NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
594444 |
2n2u   |
25612 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 1H MET 1 2.965 15.360 -4.068
2 H2 MET 1 2H MET 1 3.147 14.868 -2.462
3 H3 MET 1 3H MET 1 1.703 15.583 -2.968
4 HA MET 1 HA MET 1 1.530 13.192 -2.682
5 HB2 MET 1 2HB MET 1 0.434 12.737 -4.897
6 HB3 MET 1 3HB MET 1 -0.052 14.254 -4.158
7 HG2 MET 1 2HG MET 1 1.970 14.005 -6.396
8 HG3 MET 1 3HG MET 1 0.268 14.429 -6.602
9 HE1 MET 1 3HE MET 1 2.206 17.815 -7.285
10 HE2 MET 1 1HE MET 1 1.055 16.655 -7.948
11 HE3 MET 1 2HE MET 1 2.736 16.185 -7.696
12 H VAL 2 H VAL 2 2.429 11.213 -2.887
13 HA VAL 2 HA VAL 2 4.624 10.780 -4.847
14 HB VAL 2 HB VAL 2 4.283 9.259 -2.212
15 HG11 VAL 2 1HG1 VAL 2 5.456 7.995 -3.971
16 HG12 VAL 2 2HG1 VAL 2 6.569 8.435 -2.677
17 HG13 VAL 2 3HG1 VAL 2 6.592 9.329 -4.198
18 HG21 VAL 2 3HG2 VAL 2 6.201 10.548 -1.340
19 HG22 VAL 2 1HG2 VAL 2 4.824 11.594 -1.697
20 HG23 VAL 2 2HG2 VAL 2 6.199 11.542 -2.796
21 H ASP 3 H ASP 3 4.146 9.306 -6.356
22 HA ASP 3 HA ASP 3 1.763 7.711 -6.357
23 HB2 ASP 3 2HB ASP 3 2.713 8.658 -8.412
24 HB3 ASP 3 3HB ASP 3 4.226 7.807 -8.153
25 H LEU 4 H LEU 4 1.557 5.831 -5.200
26 HA LEU 4 HA LEU 4 3.877 3.979 -4.948
27 HB2 LEU 4 2HB LEU 4 1.672 4.482 -2.888
28 HB3 LEU 4 3HB LEU 4 2.897 3.231 -2.758
29 HG LEU 4 HG LEU 4 3.437 6.232 -2.692
30 HD11 LEU 4 1HD1 LEU 4 3.469 4.177 -0.450
31 HD12 LEU 4 2HD1 LEU 4 2.273 5.456 -0.681
32 HD13 LEU 4 3HD1 LEU 4 3.940 5.874 -0.311
33 HD21 LEU 4 3HD2 LEU 4 5.740 5.610 -2.048
34 HD22 LEU 4 1HD2 LEU 4 5.335 5.021 -3.660
35 HD23 LEU 4 2HD2 LEU 4 5.353 3.903 -2.294
36 H LYS 5 H LYS 5 3.436 2.355 -6.296
37 HA LYS 5 HA LYS 5 0.690 1.191 -6.403
38 HB2 LYS 5 2HB LYS 5 2.711 1.616 -8.611
39 HB3 LYS 5 3HB LYS 5 1.767 0.139 -8.672
40 HG2 LYS 5 2HG LYS 5 0.681 1.729 -10.061
41 HG3 LYS 5 3HG LYS 5 -0.322 1.524 -8.629
42 HD2 LYS 5 2HD LYS 5 1.609 3.774 -8.410
43 HD3 LYS 5 3HD LYS 5 0.473 3.960 -9.740
44 HE2 LYS 5 2HE LYS 5 -1.400 3.662 -8.146
45 HE3 LYS 5 3HE LYS 5 -0.242 3.548 -6.825
46 HZ1 LYS 5 3HZ LYS 5 -0.765 5.897 -8.560
47 HZ2 LYS 5 1HZ LYS 5 0.508 5.818 -7.452
48 HZ3 LYS 5 2HZ LYS 5 -1.092 5.758 -6.904
49 H ILE 6 H ILE 6 0.548 -0.767 -5.418
50 HA ILE 6 HA ILE 6 3.074 -2.096 -4.636
51 HB ILE 6 HB ILE 6 0.347 -2.223 -3.229
52 HG12 ILE 6 2HG1 ILE 6 1.759 -1.240 -1.253
53 HG13 ILE 6 3HG1 ILE 6 2.937 -0.792 -2.476
54 HG21 ILE 6 1HG2 ILE 6 1.518 -4.393 -3.116
55 HG22 ILE 6 2HG2 ILE 6 1.487 -3.631 -1.529
56 HG23 ILE 6 3HG2 ILE 6 2.968 -3.604 -2.485
57 HD11 ILE 6 3HD1 ILE 6 1.250 0.624 -3.559
58 HD12 ILE 6 1HD1 ILE 6 1.519 1.076 -1.876
59 HD13 ILE 6 2HD1 ILE 6 0.077 0.164 -2.322
60 H ASP 7 H ASP 7 3.407 -3.836 -5.872
61 HA ASP 7 HA ASP 7 1.488 -5.235 -7.454
62 HB2 ASP 7 2HB ASP 7 3.897 -5.463 -7.919
63 HB3 ASP 7 3HB ASP 7 4.190 -6.123 -6.316
64 H VAL 8 H VAL 8 0.105 -6.994 -6.871
65 HA VAL 8 HA VAL 8 0.480 -8.220 -4.214
66 HB VAL 8 HB VAL 8 -1.972 -8.388 -3.844
67 HG11 VAL 8 1HG1 VAL 8 -0.980 -5.527 -4.057
68 HG12 VAL 8 2HG1 VAL 8 -0.698 -6.640 -2.715
69 HG13 VAL 8 3HG1 VAL 8 -2.335 -6.085 -3.066
70 HG21 VAL 8 3HG2 VAL 8 -3.584 -6.966 -5.062
71 HG22 VAL 8 1HG2 VAL 8 -2.808 -8.118 -6.151
72 HG23 VAL 8 2HG2 VAL 8 -2.304 -6.429 -6.154
73 H SER 9 H SER 9 0.659 -10.304 -4.372
74 HA SER 9 HA SER 9 0.058 -11.678 -6.922
75 HB2 SER 9 2HB SER 9 1.845 -12.572 -4.620
76 HB3 SER 9 3HB SER 9 1.716 -13.341 -6.208
77 HG SER 9 HG SER 9 2.246 -10.793 -6.640
78 H ASP 10 H ASP 10 -1.189 -11.383 -3.804
79 HA ASP 10 HA ASP 10 -2.938 -13.720 -4.148
80 HB2 ASP 10 2HB ASP 10 -1.287 -14.610 -2.648
81 HB3 ASP 10 3HB ASP 10 -1.213 -13.129 -1.708
82 H ASP 11 H ASP 11 -4.853 -13.567 -2.736
83 HA ASP 11 HA ASP 11 -6.076 -10.960 -3.072
84 HB2 ASP 11 2HB ASP 11 -7.167 -13.135 -3.714
85 HB3 ASP 11 3HB ASP 11 -7.235 -13.583 -2.015
86 H GLU 12 H GLU 12 -5.373 -13.186 -0.364
87 HA GLU 12 HA GLU 12 -6.731 -11.694 1.642
88 HB2 GLU 12 2HB GLU 12 -6.346 -14.079 1.931
89 HB3 GLU 12 3HB GLU 12 -4.605 -13.855 1.819
90 HG2 GLU 12 2HG GLU 12 -5.191 -14.254 4.123
91 HG3 GLU 12 3HG GLU 12 -4.634 -12.593 3.959
92 H GLU 13 H GLU 13 -3.259 -11.827 0.668
93 HA GLU 13 HA GLU 13 -2.365 -10.024 2.664
94 HB2 GLU 13 2HB GLU 13 -0.314 -9.831 1.332
95 HB3 GLU 13 3HB GLU 13 -0.798 -11.498 1.521
96 HG2 GLU 13 2HG GLU 13 -0.433 -11.687 -0.678
97 HG3 GLU 13 3HG GLU 13 -1.960 -10.855 -0.895
98 H ALA 14 H ALA 14 -3.704 -9.573 -0.591
99 HA ALA 14 HA ALA 14 -3.235 -6.825 -0.936
100 HB1 ALA 14 3HB ALA 14 -5.567 -8.474 -1.980
101 HB2 ALA 14 1HB ALA 14 -3.991 -8.306 -2.755
102 HB3 ALA 14 2HB ALA 14 -5.049 -6.903 -2.601
103 H GLU 15 H GLU 15 -5.995 -8.550 0.504
104 HA GLU 15 HA GLU 15 -7.539 -6.441 1.432
105 HB2 GLU 15 2HB GLU 15 -7.037 -9.198 2.619
106 HB3 GLU 15 3HB GLU 15 -8.249 -8.101 3.269
107 HG2 GLU 15 2HG GLU 15 -8.237 -9.121 0.411
108 HG3 GLU 15 3HG GLU 15 -9.137 -9.871 1.728
109 H LYS 16 H LYS 16 -4.818 -8.075 3.017
110 HA LYS 16 HA LYS 16 -4.791 -6.611 5.423
111 HB2 LYS 16 2HB LYS 16 -2.622 -8.193 3.990
112 HB3 LYS 16 3HB LYS 16 -2.382 -7.480 5.580
113 HG2 LYS 16 2HG LYS 16 -4.562 -9.504 4.965
114 HG3 LYS 16 3HG LYS 16 -2.963 -9.937 5.577
115 HD2 LYS 16 2HD LYS 16 -3.388 -8.501 7.586
116 HD3 LYS 16 3HD LYS 16 -5.015 -8.181 6.982
117 HE2 LYS 16 2HE LYS 16 -3.969 -10.960 7.646
118 HE3 LYS 16 3HE LYS 16 -4.899 -9.953 8.756
119 HZ1 LYS 16 3HZ LYS 16 -5.860 -10.893 6.104
120 HZ2 LYS 16 1HZ LYS 16 -6.743 -9.975 7.215
121 HZ3 LYS 16 2HZ LYS 16 -6.301 -11.563 7.593
122 H ILE 17 H ILE 17 -3.317 -5.910 2.245
123 HA ILE 17 HA ILE 17 -1.609 -3.781 3.048
124 HB ILE 17 HB ILE 17 -3.035 -3.919 0.337
125 HG12 ILE 17 2HG1 ILE 17 -1.971 -6.048 0.465
126 HG13 ILE 17 3HG1 ILE 17 -0.897 -5.065 -0.507
127 HG21 ILE 17 1HG2 ILE 17 -0.415 -2.588 1.130
128 HG22 ILE 17 2HG2 ILE 17 -1.936 -1.770 0.761
129 HG23 ILE 17 3HG2 ILE 17 -1.079 -2.650 -0.505
130 HD11 ILE 17 3HD1 ILE 17 0.288 -6.546 1.021
131 HD12 ILE 17 1HD1 ILE 17 -0.481 -5.763 2.405
132 HD13 ILE 17 2HD1 ILE 17 0.628 -4.846 1.379
133 H ILE 18 H ILE 18 -4.955 -3.902 1.904
134 HA ILE 18 HA ILE 18 -5.580 -1.159 1.846
135 HB ILE 18 HB ILE 18 -7.446 -3.532 2.338
136 HG12 ILE 18 2HG1 ILE 18 -6.771 -2.170 -0.308
137 HG13 ILE 18 3HG1 ILE 18 -6.095 -3.703 0.225
138 HG21 ILE 18 1HG2 ILE 18 -8.152 -0.739 1.354
139 HG22 ILE 18 2HG2 ILE 18 -8.561 -1.420 2.929
140 HG23 ILE 18 3HG2 ILE 18 -9.267 -2.105 1.467
141 HD11 ILE 18 3HD1 ILE 18 -8.990 -3.132 -0.363
142 HD12 ILE 18 1HD1 ILE 18 -8.357 -4.664 0.250
143 HD13 ILE 18 2HD1 ILE 18 -7.865 -4.077 -1.337
144 H ARG 19 H ARG 19 -5.936 -3.613 4.418
145 HA ARG 19 HA ARG 19 -7.388 -1.953 6.232
146 HB2 ARG 19 2HB ARG 19 -5.806 -4.489 6.871
147 HB3 ARG 19 3HB ARG 19 -7.004 -3.730 7.913
148 HG2 ARG 19 2HG ARG 19 -7.479 -5.157 5.288
149 HG3 ARG 19 3HG ARG 19 -8.030 -5.638 6.889
150 HD2 ARG 19 2HD ARG 19 -9.545 -3.683 6.947
151 HD3 ARG 19 3HD ARG 19 -8.979 -3.187 5.352
152 HE ARG 19 HE ARG 19 -10.897 -5.245 5.976
153 HH11 ARG 19 1HH1 ARG 19 -8.578 -4.241 3.514
154 HH12 ARG 19 2HH1 ARG 19 -9.399 -5.088 2.242
155 HH21 ARG 19 1HH2 ARG 19 -11.966 -6.285 4.296
156 HH22 ARG 19 2HH2 ARG 19 -11.315 -6.244 2.682
157 H GLU 20 H GLU 20 -3.962 -2.977 6.100
158 HA GLU 20 HA GLU 20 -3.169 -1.575 8.429
159 HB2 GLU 20 2HB GLU 20 -1.716 -3.049 6.241
160 HB3 GLU 20 3HB GLU 20 -0.774 -1.986 7.276
161 HG2 GLU 20 2HG GLU 20 -0.605 -4.176 8.185
162 HG3 GLU 20 3HG GLU 20 -1.627 -3.251 9.274
163 H ILE 21 H ILE 21 -3.441 -0.519 5.090
164 HA ILE 21 HA ILE 21 -1.968 1.952 5.544
165 HB ILE 21 HB ILE 21 -3.760 1.102 3.222
166 HG12 ILE 21 2HG1 ILE 21 -1.621 -0.133 3.336
167 HG13 ILE 21 3HG1 ILE 21 -1.641 0.930 1.937
168 HG21 ILE 21 1HG2 ILE 21 -2.897 3.085 1.990
169 HG22 ILE 21 2HG2 ILE 21 -2.111 3.646 3.468
170 HG23 ILE 21 3HG2 ILE 21 -3.871 3.539 3.390
171 HD11 ILE 21 3HD1 ILE 21 -0.203 1.466 4.540
172 HD12 ILE 21 1HD1 ILE 21 -0.200 2.518 3.120
173 HD13 ILE 21 2HD1 ILE 21 0.526 0.915 3.035
174 H ARG 22 H ARG 22 -5.422 1.016 5.285
175 HA ARG 22 HA ARG 22 -6.271 3.786 5.387
176 HB2 ARG 22 2HB ARG 22 -7.902 1.224 5.254
177 HB3 ARG 22 3HB ARG 22 -8.605 2.843 5.266
178 HG2 ARG 22 2HG ARG 22 -7.251 3.351 3.181
179 HG3 ARG 22 3HG ARG 22 -6.800 1.645 3.145
180 HD2 ARG 22 2HD ARG 22 -8.675 2.123 1.617
181 HD3 ARG 22 3HD ARG 22 -9.148 0.999 2.889
182 HE ARG 22 HE ARG 22 -10.748 2.478 3.512
183 HH11 ARG 22 1HH1 ARG 22 -8.295 4.396 1.836
184 HH12 ARG 22 2HH1 ARG 22 -9.211 5.861 1.948
185 HH21 ARG 22 1HH2 ARG 22 -11.928 4.408 3.609
186 HH22 ARG 22 2HH2 ARG 22 -11.264 5.870 2.948
187 H GLU 23 H GLU 23 -5.623 1.417 7.784
188 HA GLU 23 HA GLU 23 -7.501 2.286 9.773
189 HB2 GLU 23 2HB GLU 23 -6.201 0.984 11.371
190 HB3 GLU 23 3HB GLU 23 -6.348 0.064 9.879
191 HG2 GLU 23 2HG GLU 23 -4.065 0.535 9.263
192 HG3 GLU 23 3HG GLU 23 -3.888 1.686 10.584
193 H GLN 24 H GLN 24 -4.283 3.304 8.763
194 HA GLN 24 HA GLN 24 -4.042 5.303 10.897
195 HB2 GLN 24 2HB GLN 24 -2.110 4.613 8.626
196 HB3 GLN 24 3HB GLN 24 -1.767 5.658 10.005
197 HG2 GLN 24 2HG GLN 24 -1.950 3.743 11.533
198 HG3 GLN 24 3HG GLN 24 -2.378 2.692 10.182
199 HE21 GLN 24 1HE2 GLN 24 -0.617 1.328 10.511
200 HE22 GLN 24 2HE2 GLN 24 1.006 1.794 10.153
201 H TRP 25 H TRP 25 -4.370 5.043 7.369
202 HA TRP 25 HA TRP 25 -4.847 7.960 7.138
203 HB2 TRP 25 2HB TRP 25 -3.622 6.167 4.993
204 HB3 TRP 25 3HB TRP 25 -3.806 7.919 4.934
205 HD1 TRP 25 HD1 TRP 25 -2.171 9.331 6.710
206 HE1 TRP 25 HE1 TRP 25 0.188 8.760 7.552
207 HE3 TRP 25 HE3 TRP 25 -2.027 4.350 5.516
208 HZ2 TRP 25 HZ2 TRP 25 1.882 6.529 7.680
209 HZ3 TRP 25 HZ3 TRP 25 0.012 3.071 6.015
210 HH2 TRP 25 HH2 TRP 25 1.930 4.145 7.078
211 HA PRO 26 HA PRO 26 -8.783 5.880 5.689
212 HB2 PRO 26 2HB PRO 26 -10.443 7.936 6.476
213 HB3 PRO 26 3HB PRO 26 -9.895 6.661 7.584
214 HG2 PRO 26 2HG PRO 26 -8.774 9.433 7.216
215 HG3 PRO 26 3HG PRO 26 -9.178 8.575 8.726
216 HD2 PRO 26 2HD PRO 26 -6.637 8.693 7.842
217 HD3 PRO 26 3HD PRO 26 -7.264 7.227 8.632
218 H LYS 27 H LYS 27 -7.320 8.997 5.090
219 HA LYS 27 HA LYS 27 -8.980 9.699 2.818
220 HB2 LYS 27 2HB LYS 27 -7.577 11.655 2.623
221 HB3 LYS 27 3HB LYS 27 -7.960 11.410 4.322
222 HG2 LYS 27 2HG LYS 27 -5.726 10.452 4.710
223 HG3 LYS 27 3HG LYS 27 -5.329 10.645 3.004
224 HD2 LYS 27 2HD LYS 27 -5.916 12.894 4.972
225 HD3 LYS 27 3HD LYS 27 -4.328 12.442 4.353
226 HE2 LYS 27 2HE LYS 27 -5.009 13.087 2.081
227 HE3 LYS 27 3HE LYS 27 -6.625 13.497 2.663
228 HZ1 LYS 27 3HZ LYS 27 -4.107 14.820 3.546
229 HZ2 LYS 27 1HZ LYS 27 -5.672 15.234 4.031
230 HZ3 LYS 27 2HZ LYS 27 -5.202 15.457 2.425
231 H ALA 28 H ALA 28 -6.159 7.787 3.307
232 HA ALA 28 HA ALA 28 -4.759 8.192 0.896
233 HB1 ALA 28 3HB ALA 28 -4.820 5.720 2.667
234 HB2 ALA 28 1HB ALA 28 -3.726 7.093 2.832
235 HB3 ALA 28 2HB ALA 28 -3.622 6.055 1.413
236 H THR 29 H THR 29 -5.620 7.912 -1.064
237 HA THR 29 HA THR 29 -7.840 6.297 -1.688
238 HB THR 29 HB THR 29 -5.711 7.535 -3.492
239 HG1 THR 29 HG1 THR 29 -7.627 9.078 -3.719
240 HG21 THR 29 3HG2 THR 29 -7.410 7.454 -5.284
241 HG22 THR 29 1HG2 THR 29 -8.511 6.583 -4.211
242 HG23 THR 29 2HG2 THR 29 -7.000 5.831 -4.730
243 H VAL 30 H VAL 30 -7.646 4.149 -1.299
244 HA VAL 30 HA VAL 30 -5.401 2.607 -2.479
245 HB VAL 30 HB VAL 30 -7.405 1.730 -0.321
246 HG11 VAL 30 1HG1 VAL 30 -5.949 -0.241 -0.027
247 HG12 VAL 30 2HG1 VAL 30 -4.917 0.309 -1.348
248 HG13 VAL 30 3HG1 VAL 30 -6.585 -0.164 -1.671
249 HG21 VAL 30 3HG2 VAL 30 -5.883 3.442 0.568
250 HG22 VAL 30 1HG2 VAL 30 -4.483 2.525 0.004
251 HG23 VAL 30 2HG2 VAL 30 -5.518 1.868 1.276
252 H THR 31 H THR 31 -6.064 2.205 -4.497
253 HA THR 31 HA THR 31 -8.810 1.322 -5.088
254 HB THR 31 HB THR 31 -6.535 1.986 -6.998
255 HG1 THR 31 HG1 THR 31 -7.968 3.613 -5.537
256 HG21 THR 31 3HG2 THR 31 -9.493 1.563 -7.556
257 HG22 THR 31 1HG2 THR 31 -8.182 0.488 -8.057
258 HG23 THR 31 2HG2 THR 31 -8.299 2.114 -8.730
259 H ARG 32 H ARG 32 -8.936 -0.702 -4.458
260 HA ARG 32 HA ARG 32 -6.992 -2.755 -4.771
261 HB2 ARG 32 2HB ARG 32 -8.833 -2.730 -3.050
262 HB3 ARG 32 3HB ARG 32 -10.004 -2.989 -4.340
263 HG2 ARG 32 2HG ARG 32 -8.799 -5.166 -4.864
264 HG3 ARG 32 3HG ARG 32 -7.852 -4.904 -3.396
265 HD2 ARG 32 2HD ARG 32 -10.165 -4.712 -2.205
266 HD3 ARG 32 3HD ARG 32 -10.809 -5.467 -3.667
267 HE ARG 32 HE ARG 32 -9.104 -6.669 -1.636
268 HH11 ARG 32 1HH1 ARG 32 -10.617 -7.109 -4.795
269 HH12 ARG 32 2HH1 ARG 32 -10.451 -8.837 -4.751
270 HH21 ARG 32 1HH2 ARG 32 -8.950 -8.886 -1.563
271 HH22 ARG 32 2HH2 ARG 32 -9.502 -9.837 -2.902
272 H THR 33 H THR 33 -6.480 -3.790 -6.606
273 HA THR 33 HA THR 33 -8.412 -4.273 -8.716
274 HB THR 33 HB THR 33 -7.566 -2.151 -9.480
275 HG1 THR 33 HG1 THR 33 -7.234 -4.318 -10.858
276 HG21 THR 33 3HG2 THR 33 -5.171 -1.613 -9.756
277 HG22 THR 33 1HG2 THR 33 -4.735 -3.158 -9.018
278 HG23 THR 33 2HG2 THR 33 -5.566 -1.926 -8.065
279 H ASN 34 H ASN 34 -8.072 -6.364 -9.380
280 HA ASN 34 HA ASN 34 -6.268 -8.018 -7.975
281 HB2 ASN 34 2HB ASN 34 -7.777 -8.640 -10.546
282 HB3 ASN 34 3HB ASN 34 -6.957 -9.838 -9.544
283 HD21 ASN 34 1HD2 ASN 34 -8.860 -10.983 -9.096
284 HD22 ASN 34 2HD2 ASN 34 -10.105 -10.368 -8.070
285 H GLY 35 H GLY 35 -4.132 -8.042 -8.160
286 HA2 GLY 35 2HA GLY 35 -2.204 -8.551 -9.667
287 HA3 GLY 35 3HA GLY 35 -2.820 -7.295 -10.730
288 H ASP 36 H ASP 36 -3.501 -5.351 -8.731
289 HA ASP 36 HA ASP 36 -0.957 -4.652 -7.418
290 HB2 ASP 36 2HB ASP 36 -2.328 -2.831 -9.448
291 HB3 ASP 36 3HB ASP 36 -0.976 -2.357 -8.426
292 H ILE 37 H ILE 37 -1.194 -2.481 -6.260
293 HA ILE 37 HA ILE 37 -3.939 -1.793 -5.412
294 HB ILE 37 HB ILE 37 -1.438 -2.009 -3.652
295 HG12 ILE 37 2HG1 ILE 37 -2.762 -4.095 -3.845
296 HG13 ILE 37 3HG1 ILE 37 -2.821 -3.463 -2.207
297 HG21 ILE 37 1HG2 ILE 37 -2.450 0.147 -3.124
298 HG22 ILE 37 2HG2 ILE 37 -2.735 -0.977 -1.797
299 HG23 ILE 37 3HG2 ILE 37 -4.039 -0.601 -2.926
300 HD11 ILE 37 3HD1 ILE 37 -5.005 -3.253 -4.282
301 HD12 ILE 37 1HD1 ILE 37 -5.083 -2.591 -2.646
302 HD13 ILE 37 2HD1 ILE 37 -4.972 -4.334 -2.890
303 H LYS 38 H LYS 38 -4.286 0.160 -6.327
304 HA LYS 38 HA LYS 38 -2.066 1.949 -6.957
305 HB2 LYS 38 2HB LYS 38 -4.966 1.757 -7.743
306 HB3 LYS 38 3HB LYS 38 -4.270 3.366 -7.738
307 HG2 LYS 38 2HG LYS 38 -4.202 2.403 -9.972
308 HG3 LYS 38 3HG LYS 38 -2.570 2.661 -9.359
309 HD2 LYS 38 2HD LYS 38 -2.341 0.255 -8.888
310 HD3 LYS 38 3HD LYS 38 -4.008 -0.025 -9.403
311 HE2 LYS 38 2HE LYS 38 -3.425 0.702 -11.699
312 HE3 LYS 38 3HE LYS 38 -1.764 1.012 -11.182
313 HZ1 LYS 38 3HZ LYS 38 -1.472 -1.318 -10.729
314 HZ2 LYS 38 1HZ LYS 38 -2.032 -1.127 -12.309
315 HZ3 LYS 38 2HZ LYS 38 -3.090 -1.647 -11.102
316 H LEU 39 H LEU 39 -1.296 3.034 -5.245
317 HA LEU 39 HA LEU 39 -3.125 4.281 -3.270
318 HB2 LEU 39 2HB LEU 39 -1.871 2.416 -2.250
319 HB3 LEU 39 3HB LEU 39 -0.356 3.074 -2.841
320 HG LEU 39 HG LEU 39 -0.625 5.041 -1.310
321 HD11 LEU 39 1HD1 LEU 39 -3.065 3.590 -0.257
322 HD12 LEU 39 2HD1 LEU 39 -3.055 5.116 -1.146
323 HD13 LEU 39 3HD1 LEU 39 -2.324 5.026 0.454
324 HD21 LEU 39 3HD2 LEU 39 0.709 3.133 -0.557
325 HD22 LEU 39 1HD2 LEU 39 -0.733 2.352 0.102
326 HD23 LEU 39 2HD2 LEU 39 -0.143 3.863 0.801
327 H ASP 40 H ASP 40 -2.600 6.350 -2.578
328 HA ASP 40 HA ASP 40 -0.341 7.757 -3.883
329 HB2 ASP 40 2HB ASP 40 -3.207 8.743 -3.506
330 HB3 ASP 40 3HB ASP 40 -1.870 9.813 -3.911
331 H ALA 41 H ALA 41 1.032 8.429 -2.381
332 HA ALA 41 HA ALA 41 0.260 9.017 0.370
333 HB1 ALA 41 3HB ALA 41 2.970 9.186 -0.994
334 HB2 ALA 41 1HB ALA 41 2.367 7.817 -0.059
335 HB3 ALA 41 2HB ALA 41 2.673 9.361 0.737
336 H GLN 42 H GLN 42 1.077 11.067 1.348
337 HA GLN 42 HA GLN 42 0.201 13.352 -0.260
338 HB2 GLN 42 2HB GLN 42 0.932 13.273 2.704
339 HB3 GLN 42 3HB GLN 42 0.068 14.553 1.862
340 HG2 GLN 42 2HG GLN 42 -0.958 11.744 2.366
341 HG3 GLN 42 3HG GLN 42 -1.445 13.198 3.230
342 HE21 GLN 42 1HE2 GLN 42 -1.655 14.900 0.860
343 HE22 GLN 42 2HE2 GLN 42 -3.045 14.357 -0.008
344 H THR 43 H THR 43 3.003 12.421 1.739
345 HA THR 43 HA THR 43 4.783 14.293 0.288
346 HB THR 43 HB THR 43 5.944 14.848 2.400
347 HG1 THR 43 HG1 THR 43 4.342 14.039 4.304
348 HG21 THR 43 3HG2 THR 43 4.224 16.202 3.543
349 HG22 THR 43 1HG2 THR 43 2.948 15.304 2.719
350 HG23 THR 43 2HG2 THR 43 4.045 16.332 1.793
351 H GLU 44 H GLU 44 7.198 13.648 0.959
352 HA GLU 44 HA GLU 44 7.691 11.009 0.069
353 HB2 GLU 44 2HB GLU 44 9.625 12.902 1.495
354 HB3 GLU 44 3HB GLU 44 10.089 11.379 0.745
355 HG2 GLU 44 2HG GLU 44 10.688 13.081 -0.790
356 HG3 GLU 44 3HG GLU 44 9.252 12.299 -1.452
357 H LYS 45 H LYS 45 7.961 12.484 3.295
358 HA LYS 45 HA LYS 45 8.754 10.240 4.780
359 HB2 LYS 45 2HB LYS 45 8.800 12.559 5.673
360 HB3 LYS 45 3HB LYS 45 7.041 12.593 5.685
361 HG2 LYS 45 2HG LYS 45 7.147 10.618 7.331
362 HG3 LYS 45 3HG LYS 45 8.882 10.932 7.442
363 HD2 LYS 45 2HD LYS 45 7.761 12.040 9.297
364 HD3 LYS 45 3HD LYS 45 8.372 13.275 8.193
365 HE2 LYS 45 2HE LYS 45 6.096 13.467 7.198
366 HE3 LYS 45 3HE LYS 45 5.502 12.282 8.364
367 HZ1 LYS 45 3HZ LYS 45 6.028 13.777 10.146
368 HZ2 LYS 45 1HZ LYS 45 5.074 14.597 9.020
369 HZ3 LYS 45 2HZ LYS 45 6.736 14.884 9.089
370 H GLU 46 H GLU 46 5.547 11.459 3.894
371 HA GLU 46 HA GLU 46 3.949 9.683 5.368
372 HB2 GLU 46 2HB GLU 46 3.238 11.802 4.043
373 HB3 GLU 46 3HB GLU 46 3.189 10.766 2.625
374 HG2 GLU 46 2HG GLU 46 0.960 10.884 3.404
375 HG3 GLU 46 3HG GLU 46 1.541 9.296 3.899
376 H ALA 47 H ALA 47 5.100 9.497 1.984
377 HA ALA 47 HA ALA 47 4.298 6.950 1.300
378 HB1 ALA 47 3HB ALA 47 5.230 8.588 -0.272
379 HB2 ALA 47 1HB ALA 47 6.040 7.028 -0.411
380 HB3 ALA 47 2HB ALA 47 6.834 8.365 0.428
381 H GLU 48 H GLU 48 7.230 7.915 3.102
382 HA GLU 48 HA GLU 48 8.583 5.452 3.091
383 HB2 GLU 48 2HB GLU 48 8.608 7.522 5.335
384 HB3 GLU 48 3HB GLU 48 9.797 6.250 5.093
385 HG2 GLU 48 2HG GLU 48 9.309 8.604 3.264
386 HG3 GLU 48 3HG GLU 48 10.633 8.448 4.404
387 H LYS 49 H LYS 49 6.011 6.695 5.110
388 HA LYS 49 HA LYS 49 5.992 4.585 7.084
389 HB2 LYS 49 2HB LYS 49 3.886 6.685 6.393
390 HB3 LYS 49 3HB LYS 49 3.944 5.729 7.872
391 HG2 LYS 49 2HG LYS 49 5.854 6.898 8.686
392 HG3 LYS 49 3HG LYS 49 6.191 7.605 7.103
393 HD2 LYS 49 2HD LYS 49 5.216 9.303 8.563
394 HD3 LYS 49 3HD LYS 49 4.100 8.934 7.249
395 HE2 LYS 49 2HE LYS 49 2.902 7.377 8.857
396 HE3 LYS 49 3HE LYS 49 3.922 8.030 10.135
397 HZ1 LYS 49 3HZ LYS 49 1.752 9.112 9.978
398 HZ2 LYS 49 1HZ LYS 49 2.122 9.650 8.417
399 HZ3 LYS 49 2HZ LYS 49 3.023 10.198 9.739
400 H MET 50 H MET 50 3.960 5.570 4.404
401 HA MET 50 HA MET 50 1.989 3.589 4.441
402 HB2 MET 50 2HB MET 50 3.001 5.243 2.100
403 HB3 MET 50 3HB MET 50 1.669 4.105 1.933
404 HG2 MET 50 2HG MET 50 0.450 5.354 3.727
405 HG3 MET 50 3HG MET 50 1.749 6.551 3.705
406 HE1 MET 50 3HE MET 50 -0.197 8.411 3.270
407 HE2 MET 50 1HE MET 50 -1.421 7.141 3.212
408 HE3 MET 50 2HE MET 50 -1.310 8.320 1.906
409 H GLU 51 H GLU 51 4.773 3.600 2.140
410 HA GLU 51 HA GLU 51 4.495 0.987 1.222
411 HB2 GLU 51 2HB GLU 51 6.706 1.158 0.309
412 HB3 GLU 51 3HB GLU 51 5.997 2.766 0.231
413 HG2 GLU 51 2HG GLU 51 7.282 3.429 2.208
414 HG3 GLU 51 3HG GLU 51 7.991 1.824 2.315
415 H LYS 52 H LYS 52 5.836 2.112 4.192
416 HA LYS 52 HA LYS 52 7.311 -0.273 4.957
417 HB2 LYS 52 2HB LYS 52 7.914 1.956 5.882
418 HB3 LYS 52 3HB LYS 52 6.364 2.040 6.707
419 HG2 LYS 52 2HG LYS 52 7.018 0.063 8.082
420 HG3 LYS 52 3HG LYS 52 8.579 0.034 7.258
421 HD2 LYS 52 2HD LYS 52 8.804 1.138 9.439
422 HD3 LYS 52 3HD LYS 52 9.091 2.304 8.147
423 HE2 LYS 52 2HE LYS 52 6.792 3.179 8.430
424 HE3 LYS 52 3HE LYS 52 6.500 2.004 9.716
425 HZ1 LYS 52 3HZ LYS 52 8.273 3.047 11.007
426 HZ2 LYS 52 1HZ LYS 52 7.068 4.163 10.616
427 HZ3 LYS 52 2HZ LYS 52 8.530 4.176 9.774
428 H ALA 53 H ALA 53 4.088 1.060 5.600
429 HA ALA 53 HA ALA 53 3.181 -0.862 7.478
430 HB1 ALA 53 3HB ALA 53 2.084 1.325 7.179
431 HB2 ALA 53 1HB ALA 53 0.925 0.006 6.987
432 HB3 ALA 53 2HB ALA 53 1.550 0.850 5.566
433 H VAL 54 H VAL 54 3.013 -0.680 3.946
434 HA VAL 54 HA VAL 54 1.696 -3.090 3.370
435 HB VAL 54 HB VAL 54 3.946 -1.710 1.826
436 HG11 VAL 54 1HG1 VAL 54 1.896 -3.709 0.809
437 HG12 VAL 54 2HG1 VAL 54 3.618 -4.020 1.045
438 HG13 VAL 54 3HG1 VAL 54 3.092 -2.856 -0.170
439 HG21 VAL 54 3HG2 VAL 54 0.937 -1.370 1.560
440 HG22 VAL 54 1HG2 VAL 54 2.154 -0.615 0.526
441 HG23 VAL 54 2HG2 VAL 54 2.062 -0.191 2.236
442 H LYS 55 H LYS 55 5.162 -2.398 3.824
443 HA LYS 55 HA LYS 55 6.116 -5.043 3.545
444 HB2 LYS 55 2HB LYS 55 7.386 -2.637 4.902
445 HB3 LYS 55 3HB LYS 55 8.240 -4.150 4.583
446 HG2 LYS 55 2HG LYS 55 8.060 -3.859 2.201
447 HG3 LYS 55 3HG LYS 55 6.930 -2.515 2.386
448 HD2 LYS 55 2HD LYS 55 8.780 -1.213 3.514
449 HD3 LYS 55 3HD LYS 55 9.887 -2.527 3.106
450 HE2 LYS 55 2HE LYS 55 8.331 -0.824 1.125
451 HE3 LYS 55 3HE LYS 55 10.049 -0.679 1.491
452 HZ1 LYS 55 3HZ LYS 55 8.725 -3.023 0.243
453 HZ2 LYS 55 1HZ LYS 55 10.367 -2.928 0.639
454 HZ3 LYS 55 2HZ LYS 55 9.719 -1.900 -0.535
455 H LYS 56 H LYS 56 4.486 -3.601 6.220
456 HA LYS 56 HA LYS 56 5.383 -5.517 8.203
457 HB2 LYS 56 2HB LYS 56 2.866 -3.792 8.242
458 HB3 LYS 56 3HB LYS 56 3.552 -4.653 9.617
459 HG2 LYS 56 2HG LYS 56 4.727 -2.268 8.167
460 HG3 LYS 56 3HG LYS 56 4.100 -2.309 9.811
461 HD2 LYS 56 2HD LYS 56 6.591 -3.763 8.826
462 HD3 LYS 56 3HD LYS 56 6.578 -2.262 9.750
463 HE2 LYS 56 2HE LYS 56 5.518 -3.448 11.648
464 HE3 LYS 56 3HE LYS 56 5.547 -4.949 10.720
465 HZ1 LYS 56 3HZ LYS 56 7.392 -4.763 12.300
466 HZ2 LYS 56 1HZ LYS 56 7.957 -3.393 11.488
467 HZ3 LYS 56 2HZ LYS 56 7.935 -4.887 10.704
468 H VAL 57 H VAL 57 3.227 -5.646 5.565
469 HA VAL 57 HA VAL 57 1.924 -8.136 6.432
470 HB VAL 57 HB VAL 57 1.688 -6.656 3.757
471 HG11 VAL 57 1HG1 VAL 57 -0.066 -8.847 4.934
472 HG12 VAL 57 2HG1 VAL 57 1.055 -9.016 3.580
473 HG13 VAL 57 3HG1 VAL 57 -0.364 -7.983 3.423
474 HG21 VAL 57 3HG2 VAL 57 -0.451 -5.740 4.572
475 HG22 VAL 57 1HG2 VAL 57 0.901 -5.194 5.567
476 HG23 VAL 57 2HG2 VAL 57 -0.176 -6.463 6.159
477 H LYS 58 H LYS 58 4.557 -6.949 4.457
478 HA LYS 58 HA LYS 58 5.483 -9.502 3.648
479 HB2 LYS 58 2HB LYS 58 5.275 -9.091 1.125
480 HB3 LYS 58 3HB LYS 58 3.816 -9.582 1.972
481 HG2 LYS 58 2HG LYS 58 3.007 -7.257 1.923
482 HG3 LYS 58 3HG LYS 58 4.501 -6.753 1.119
483 HD2 LYS 58 2HD LYS 58 3.948 -8.294 -0.785
484 HD3 LYS 58 3HD LYS 58 2.419 -8.681 0.013
485 HE2 LYS 58 2HE LYS 58 1.824 -6.251 -0.111
486 HE3 LYS 58 3HE LYS 58 3.295 -5.986 -1.046
487 HZ1 LYS 58 3HZ LYS 58 1.166 -7.881 -1.828
488 HZ2 LYS 58 1HZ LYS 58 2.490 -7.404 -2.748
489 HZ3 LYS 58 2HZ LYS 58 1.266 -6.294 -2.394
490 HA PRO 59 HA PRO 59 8.836 -6.440 4.360
491 HB2 PRO 59 2HB PRO 59 10.553 -8.890 3.919
492 HB3 PRO 59 3HB PRO 59 10.574 -7.718 5.258
493 HG2 PRO 59 2HG PRO 59 9.528 -10.123 5.629
494 HG3 PRO 59 3HG PRO 59 8.735 -8.689 6.326
495 HD2 PRO 59 2HD PRO 59 7.975 -10.256 3.859
496 HD3 PRO 59 3HD PRO 59 6.936 -9.587 5.140
497 H ASN 60 H ASN 60 8.906 -8.785 1.699
498 HA ASN 60 HA ASN 60 10.844 -7.182 0.152
499 HB2 ASN 60 2HB ASN 60 11.205 -9.652 0.611
500 HB3 ASN 60 3HB ASN 60 9.775 -10.008 -0.341
501 HD21 ASN 60 1HD2 ASN 60 13.099 -8.916 -0.436
502 HD22 ASN 60 2HD2 ASN 60 13.337 -9.169 -2.133
503 H ALA 61 H ALA 61 7.931 -6.494 0.590
504 HA ALA 61 HA ALA 61 6.366 -6.606 -1.656
505 HB1 ALA 61 3HB ALA 61 6.757 -4.206 0.174
506 HB2 ALA 61 1HB ALA 61 5.674 -5.569 0.455
507 HB3 ALA 61 2HB ALA 61 5.373 -4.475 -0.893
508 H THR 62 H THR 62 6.933 -6.228 -3.712
509 HA THR 62 HA THR 62 8.760 -4.204 -4.617
510 HB THR 62 HB THR 62 6.731 -5.822 -6.233
511 HG1 THR 62 HG1 THR 62 8.032 -7.406 -5.713
512 HG21 THR 62 3HG2 THR 62 7.579 -3.837 -7.453
513 HG22 THR 62 1HG2 THR 62 8.199 -5.331 -8.161
514 HG23 THR 62 2HG2 THR 62 9.240 -4.344 -7.134
515 H ILE 63 H ILE 63 8.108 -2.153 -4.166
516 HA ILE 63 HA ILE 63 5.347 -1.284 -4.809
517 HB ILE 63 HB ILE 63 7.356 -0.179 -2.775
518 HG12 ILE 63 2HG1 ILE 63 4.667 -1.473 -2.176
519 HG13 ILE 63 3HG1 ILE 63 6.126 -2.440 -2.325
520 HG21 ILE 63 1HG2 ILE 63 5.972 1.652 -3.698
521 HG22 ILE 63 2HG2 ILE 63 5.538 1.331 -2.019
522 HG23 ILE 63 3HG2 ILE 63 4.501 0.748 -3.323
523 HD11 ILE 63 3HD1 ILE 63 5.624 -2.032 -0.041
524 HD12 ILE 63 1HD1 ILE 63 5.587 -0.290 -0.301
525 HD13 ILE 63 2HD1 ILE 63 7.104 -1.177 -0.468
526 H ARG 64 H ARG 64 5.195 0.075 -6.454
527 HA ARG 64 HA ARG 64 7.542 1.034 -7.892
528 HB2 ARG 64 2HB ARG 64 4.571 1.109 -8.626
529 HB3 ARG 64 3HB ARG 64 5.885 1.608 -9.686
530 HG2 ARG 64 2HG ARG 64 5.403 -1.202 -8.649
531 HG3 ARG 64 3HG ARG 64 5.042 -0.623 -10.276
532 HD2 ARG 64 2HD ARG 64 7.495 -0.180 -10.603
533 HD3 ARG 64 3HD ARG 64 7.796 -0.887 -9.011
534 HE ARG 64 HE ARG 64 6.341 -2.615 -10.814
535 HH11 ARG 64 1HH1 ARG 64 9.573 -1.628 -9.788
536 HH12 ARG 64 2HH1 ARG 64 10.325 -3.089 -10.349
537 HH21 ARG 64 1HH2 ARG 64 7.349 -4.510 -11.564
538 HH22 ARG 64 2HH2 ARG 64 9.060 -4.728 -11.358
539 H LYS 65 H LYS 65 8.315 2.915 -7.126
540 HA LYS 65 HA LYS 65 6.475 4.932 -5.982
541 HB2 LYS 65 2HB LYS 65 8.203 3.860 -4.464
542 HB3 LYS 65 3HB LYS 65 9.463 4.583 -5.461
543 HG2 LYS 65 2HG LYS 65 8.763 6.822 -4.840
544 HG3 LYS 65 3HG LYS 65 7.337 6.193 -4.002
545 HD2 LYS 65 2HD LYS 65 8.920 4.952 -2.443
546 HD3 LYS 65 3HD LYS 65 10.252 5.829 -3.202
547 HE2 LYS 65 2HE LYS 65 9.308 7.959 -2.449
548 HE3 LYS 65 3HE LYS 65 7.909 7.118 -1.767
549 HZ1 LYS 65 3HZ LYS 65 10.729 6.773 -0.895
550 HZ2 LYS 65 1HZ LYS 65 9.398 5.952 -0.256
551 HZ3 LYS 65 2HZ LYS 65 9.532 7.625 -0.059
552 H THR 66 H THR 66 6.029 6.380 -7.523
553 HA THR 66 HA THR 66 8.196 7.484 -9.241
554 HB THR 66 HB THR 66 5.205 7.183 -9.803
555 HG1 THR 66 HG1 THR 66 6.988 5.405 -10.002
556 HG21 THR 66 3HG2 THR 66 7.356 8.379 -11.606
557 HG22 THR 66 1HG2 THR 66 6.006 9.256 -10.874
558 HG23 THR 66 2HG2 THR 66 5.699 8.018 -12.090
559 H GLY 67 H GLY 67 8.286 9.734 -9.502
560 HA2 GLY 67 2HA GLY 67 7.824 11.966 -9.214
561 HA3 GLY 67 3HA GLY 67 6.326 11.541 -8.402
562 H GLY 68 H GLY 68 6.252 11.730 -6.202
563 HA2 GLY 68 2HA GLY 68 6.900 12.157 -4.043
564 HA3 GLY 68 3HA GLY 68 8.528 11.631 -4.453
565 H SER 69 H SER 69 9.972 13.170 -5.409
566 HA SER 69 HA SER 69 9.246 15.946 -5.773
567 HB2 SER 69 2HB SER 69 11.130 15.106 -3.520
568 HB3 SER 69 3HB SER 69 11.135 16.736 -4.201
569 HG SER 69 HG SER 69 8.944 15.417 -2.966
570 H LEU 70 H LEU 70 10.668 17.004 -7.115
571 HA LEU 70 HA LEU 70 12.831 15.589 -8.419
572 HB2 LEU 70 2HB LEU 70 11.944 18.514 -8.610
573 HB3 LEU 70 3HB LEU 70 13.244 17.816 -9.552
574 HG LEU 70 HG LEU 70 11.332 17.989 -10.990
575 HD11 LEU 70 1HD1 LEU 70 11.633 15.087 -10.185
576 HD12 LEU 70 2HD1 LEU 70 12.647 15.973 -11.325
577 HD13 LEU 70 3HD1 LEU 70 10.952 15.680 -11.704
578 HD21 LEU 70 3HD2 LEU 70 9.554 18.181 -9.315
579 HD22 LEU 70 1HD2 LEU 70 9.702 16.464 -8.933
580 HD23 LEU 70 2HD2 LEU 70 9.137 16.971 -10.527
581 H GLU 71 H GLU 71 14.138 15.073 -6.688
582 HA GLU 71 HA GLU 71 14.936 16.873 -4.644
583 HB2 GLU 71 2HB GLU 71 14.756 14.435 -4.310
584 HB3 GLU 71 3HB GLU 71 16.076 14.161 -5.441
585 HG2 GLU 71 2HG GLU 71 17.676 15.132 -3.947
586 HG3 GLU 71 3HG GLU 71 16.416 15.753 -2.880
587 H HIS 72 H HIS 72 16.032 18.624 -5.264
588 HA HIS 72 HA HIS 72 17.794 18.845 -7.464
589 HB2 HIS 72 2HB HIS 72 17.265 20.681 -5.098
590 HB3 HIS 72 3HB HIS 72 18.355 21.119 -6.411
591 HD1 HIS 72 HD1 HIS 72 17.255 21.400 -8.805
592 HD2 HIS 72 HD2 HIS 72 14.558 21.003 -5.667
593 HE1 HIS 72 HE1 HIS 72 15.029 22.090 -9.735
594 HE2 HIS 72 HE2 HIS 72 13.411 21.814 -7.836
595 H HIS 73 H HIS 73 19.822 18.320 -7.671
596 HA HIS 73 HA HIS 73 21.097 16.742 -5.680
597 HB2 HIS 73 2HB HIS 73 21.106 16.459 -8.265
598 HB3 HIS 73 3HB HIS 73 22.391 17.658 -8.276
599 HD1 HIS 73 HD1 HIS 73 21.613 14.152 -7.179
600 HD2 HIS 73 HD2 HIS 73 24.905 16.665 -7.546
601 HE1 HIS 73 HE1 HIS 73 23.623 12.684 -6.864
602 HE2 HIS 73 HE2 HIS 73 25.588 14.245 -6.954
603 H HIS 74 H HIS 74 21.513 20.081 -6.723
604 HA HIS 74 HA HIS 74 24.026 20.537 -5.412
605 HB2 HIS 74 2HB HIS 74 21.859 22.476 -6.304
606 HB3 HIS 74 3HB HIS 74 23.370 23.007 -5.571
607 HD1 HIS 74 HD1 HIS 74 25.261 23.407 -7.150
608 HD2 HIS 74 HD2 HIS 74 22.322 21.019 -8.849
609 HE1 HIS 74 HE1 HIS 74 25.955 23.085 -9.544
610 HE2 HIS 74 HE2 HIS 74 24.049 21.806 -10.583
611 H HIS 75 H HIS 75 20.717 20.482 -4.322
612 HA HIS 75 HA HIS 75 21.426 21.465 -1.629
613 HB2 HIS 75 2HB HIS 75 19.366 22.355 -2.836
614 HB3 HIS 75 3HB HIS 75 18.670 20.742 -2.741
615 HD1 HIS 75 HD1 HIS 75 16.800 21.040 -1.088
616 HD2 HIS 75 HD2 HIS 75 20.308 22.839 0.220
617 HE1 HIS 75 HE1 HIS 75 16.328 21.813 1.256
618 HE2 HIS 75 HE2 HIS 75 18.403 23.062 1.939
619 H HIS 76 H HIS 76 21.806 18.657 -3.132
620 HA HIS 76 HA HIS 76 20.860 16.926 -0.914
621 HB2 HIS 76 2HB HIS 76 19.858 16.366 -3.110
622 HB3 HIS 76 3HB HIS 76 21.460 16.196 -3.821
623 HD1 HIS 76 HD1 HIS 76 22.261 13.836 -3.921
624 HD2 HIS 76 HD2 HIS 76 19.519 14.402 -0.850
625 HE1 HIS 76 HE1 HIS 76 21.913 11.573 -2.898
626 HE2 HIS 76 HE2 HIS 76 20.068 11.915 -1.232
627 H HIS 77 H HIS 77 22.374 15.862 0.261
628 HA HIS 77 HA HIS 77 25.125 16.454 -0.031
629 HB2 HIS 77 2HB HIS 77 25.531 15.083 1.919
630 HB3 HIS 77 3HB HIS 77 24.036 15.967 2.174
631 HD1 HIS 77 HD1 HIS 77 21.802 14.530 2.114
632 HD2 HIS 77 HD2 HIS 77 25.323 12.315 2.068
633 HE1 HIS 77 HE1 HIS 77 21.133 12.179 2.660
634 HE2 HIS 77 HE2 HIS 77 23.294 10.906 2.802
Start of MODEL 2
1 H1 MET 1 1H MET 1 0.823 14.444 -3.810
2 H2 MET 1 2H MET 1 0.631 13.082 -2.831
3 H3 MET 1 3H MET 1 -0.659 14.145 -3.056
4 HA MET 1 HA MET 1 -0.974 12.166 -4.340
5 HB2 MET 1 2HB MET 1 -1.671 14.494 -5.203
6 HB3 MET 1 3HB MET 1 -0.250 14.449 -6.230
7 HG2 MET 1 2HG MET 1 -2.538 12.468 -6.339
8 HG3 MET 1 3HG MET 1 -2.345 13.845 -7.413
9 HE1 MET 1 3HE MET 1 -1.053 10.223 -6.466
10 HE2 MET 1 1HE MET 1 -0.791 9.693 -8.128
11 HE3 MET 1 2HE MET 1 -2.377 10.283 -7.632
12 H VAL 2 H VAL 2 0.873 10.830 -3.850
13 HA VAL 2 HA VAL 2 2.744 10.572 -6.146
14 HB VAL 2 HB VAL 2 3.213 9.515 -3.304
15 HG11 VAL 2 1HG1 VAL 2 5.077 9.580 -5.712
16 HG12 VAL 2 2HG1 VAL 2 4.289 8.146 -5.050
17 HG13 VAL 2 3HG1 VAL 2 5.498 9.002 -4.096
18 HG21 VAL 2 3HG2 VAL 2 3.322 11.980 -3.330
19 HG22 VAL 2 1HG2 VAL 2 4.500 11.923 -4.643
20 HG23 VAL 2 2HG2 VAL 2 4.916 11.278 -3.053
21 H ASP 3 H ASP 3 2.776 8.561 -7.116
22 HA ASP 3 HA ASP 3 0.579 6.713 -6.432
23 HB2 ASP 3 2HB ASP 3 0.705 7.405 -8.808
24 HB3 ASP 3 3HB ASP 3 2.356 6.801 -8.918
25 H LEU 4 H LEU 4 1.163 5.199 -5.010
26 HA LEU 4 HA LEU 4 3.852 3.964 -5.132
27 HB2 LEU 4 2HB LEU 4 1.732 3.726 -2.948
28 HB3 LEU 4 3HB LEU 4 3.361 3.075 -2.886
29 HG LEU 4 HG LEU 4 2.602 6.025 -2.837
30 HD11 LEU 4 1HD1 LEU 4 3.491 5.996 -0.547
31 HD12 LEU 4 2HD1 LEU 4 3.796 4.263 -0.674
32 HD13 LEU 4 3HD1 LEU 4 2.144 4.875 -0.728
33 HD21 LEU 4 3HD2 LEU 4 5.378 4.790 -2.757
34 HD22 LEU 4 1HD2 LEU 4 5.004 6.498 -2.504
35 HD23 LEU 4 2HD2 LEU 4 4.703 5.753 -4.072
36 H LYS 5 H LYS 5 3.769 2.337 -6.559
37 HA LYS 5 HA LYS 5 1.396 0.604 -6.769
38 HB2 LYS 5 2HB LYS 5 2.303 1.758 -8.813
39 HB3 LYS 5 3HB LYS 5 3.811 0.890 -8.620
40 HG2 LYS 5 2HG LYS 5 1.175 -0.545 -9.045
41 HG3 LYS 5 3HG LYS 5 2.148 0.047 -10.384
42 HD2 LYS 5 2HD LYS 5 3.994 -1.430 -8.854
43 HD3 LYS 5 3HD LYS 5 2.513 -2.378 -8.729
44 HE2 LYS 5 2HE LYS 5 3.876 -1.514 -11.298
45 HE3 LYS 5 3HE LYS 5 3.889 -3.132 -10.606
46 HZ1 LYS 5 3HZ LYS 5 2.298 -2.858 -12.424
47 HZ2 LYS 5 1HZ LYS 5 1.444 -1.724 -11.505
48 HZ3 LYS 5 2HZ LYS 5 1.564 -3.324 -10.979
49 H ILE 6 H ILE 6 1.521 -1.092 -5.445
50 HA ILE 6 HA ILE 6 4.107 -2.450 -4.941
51 HB ILE 6 HB ILE 6 1.596 -2.628 -3.184
52 HG12 ILE 6 2HG1 ILE 6 3.168 -1.364 -1.466
53 HG13 ILE 6 3HG1 ILE 6 4.030 -0.819 -2.895
54 HG21 ILE 6 1HG2 ILE 6 4.439 -3.613 -2.682
55 HG22 ILE 6 2HG2 ILE 6 3.061 -4.623 -3.118
56 HG23 ILE 6 3HG2 ILE 6 3.073 -3.775 -1.578
57 HD11 ILE 6 3HD1 ILE 6 1.994 0.286 -3.695
58 HD12 ILE 6 1HD1 ILE 6 2.468 0.853 -2.093
59 HD13 ILE 6 2HD1 ILE 6 1.124 -0.277 -2.265
60 H ASP 7 H ASP 7 4.224 -4.616 -5.590
61 HA ASP 7 HA ASP 7 2.119 -5.930 -6.992
62 HB2 ASP 7 2HB ASP 7 4.357 -6.678 -7.444
63 HB3 ASP 7 3HB ASP 7 4.728 -6.890 -5.739
64 H VAL 8 H VAL 8 0.554 -7.390 -6.238
65 HA VAL 8 HA VAL 8 0.971 -8.663 -3.618
66 HB VAL 8 HB VAL 8 -1.612 -8.704 -3.295
67 HG11 VAL 8 1HG1 VAL 8 -0.078 -7.497 -1.803
68 HG12 VAL 8 2HG1 VAL 8 -1.594 -6.619 -2.001
69 HG13 VAL 8 3HG1 VAL 8 -0.145 -6.080 -2.855
70 HG21 VAL 8 3HG2 VAL 8 -2.877 -6.800 -4.207
71 HG22 VAL 8 1HG2 VAL 8 -2.232 -7.797 -5.511
72 HG23 VAL 8 2HG2 VAL 8 -1.458 -6.266 -5.108
73 H SER 9 H SER 9 0.941 -10.753 -3.799
74 HA SER 9 HA SER 9 0.474 -12.085 -6.294
75 HB2 SER 9 2HB SER 9 2.335 -12.697 -4.711
76 HB3 SER 9 3HB SER 9 1.137 -13.291 -3.560
77 HG SER 9 HG SER 9 1.081 -14.274 -6.188
78 H ASP 10 H ASP 10 -1.138 -11.926 -3.150
79 HA ASP 10 HA ASP 10 -3.240 -13.809 -4.052
80 HB2 ASP 10 2HB ASP 10 -1.952 -14.526 -2.077
81 HB3 ASP 10 3HB ASP 10 -2.323 -13.027 -1.253
82 H ASP 11 H ASP 11 -5.429 -13.379 -3.295
83 HA ASP 11 HA ASP 11 -6.322 -10.764 -4.104
84 HB2 ASP 11 2HB ASP 11 -7.913 -13.124 -2.985
85 HB3 ASP 11 3HB ASP 11 -8.618 -11.710 -3.757
86 H GLU 12 H GLU 12 -6.807 -12.658 -1.102
87 HA GLU 12 HA GLU 12 -7.907 -10.535 0.420
88 HB2 GLU 12 2HB GLU 12 -8.196 -12.977 0.945
89 HB3 GLU 12 3HB GLU 12 -6.520 -13.032 1.488
90 HG2 GLU 12 2HG GLU 12 -7.059 -11.334 3.231
91 HG3 GLU 12 3HG GLU 12 -8.742 -11.361 2.705
92 H GLU 13 H GLU 13 -4.592 -11.622 -0.094
93 HA GLU 13 HA GLU 13 -3.143 -10.123 1.738
94 HB2 GLU 13 2HB GLU 13 -2.229 -11.834 0.206
95 HB3 GLU 13 3HB GLU 13 -2.474 -10.751 -1.157
96 HG2 GLU 13 2HG GLU 13 -0.834 -9.164 -0.091
97 HG3 GLU 13 3HG GLU 13 -0.521 -10.398 1.134
98 H ALA 14 H ALA 14 -4.486 -9.136 -1.398
99 HA ALA 14 HA ALA 14 -3.461 -6.511 -1.525
100 HB1 ALA 14 3HB ALA 14 -6.105 -7.552 -2.636
101 HB2 ALA 14 1HB ALA 14 -4.539 -7.630 -3.449
102 HB3 ALA 14 2HB ALA 14 -5.286 -6.066 -3.128
103 H GLU 15 H GLU 15 -6.442 -7.830 -0.112
104 HA GLU 15 HA GLU 15 -7.614 -5.422 0.772
105 HB2 GLU 15 2HB GLU 15 -7.938 -8.296 1.726
106 HB3 GLU 15 3HB GLU 15 -8.934 -6.968 2.315
107 HG2 GLU 15 2HG GLU 15 -8.757 -7.958 -0.537
108 HG3 GLU 15 3HG GLU 15 -10.103 -8.197 0.574
109 H LYS 16 H LYS 16 -5.323 -7.643 2.280
110 HA LYS 16 HA LYS 16 -5.148 -6.619 4.859
111 HB2 LYS 16 2HB LYS 16 -2.952 -7.772 3.090
112 HB3 LYS 16 3HB LYS 16 -2.711 -7.382 4.782
113 HG2 LYS 16 2HG LYS 16 -4.713 -9.410 3.766
114 HG3 LYS 16 3HG LYS 16 -3.090 -9.796 4.348
115 HD2 LYS 16 2HD LYS 16 -3.704 -8.769 6.567
116 HD3 LYS 16 3HD LYS 16 -5.355 -8.567 5.972
117 HE2 LYS 16 2HE LYS 16 -3.880 -11.196 6.343
118 HE3 LYS 16 3HE LYS 16 -5.206 -10.581 7.332
119 HZ1 LYS 16 3HZ LYS 16 -5.986 -12.211 5.755
120 HZ2 LYS 16 1HZ LYS 16 -5.379 -11.305 4.463
121 HZ3 LYS 16 2HZ LYS 16 -6.646 -10.699 5.400
122 H ILE 17 H ILE 17 -3.288 -5.715 1.940
123 HA ILE 17 HA ILE 17 -1.609 -3.802 3.121
124 HB ILE 17 HB ILE 17 -2.480 -3.919 0.192
125 HG12 ILE 17 2HG1 ILE 17 -1.608 -6.090 0.787
126 HG13 ILE 17 3HG1 ILE 17 -0.368 -5.272 -0.142
127 HG21 ILE 17 1HG2 ILE 17 -0.315 -2.820 -0.301
128 HG22 ILE 17 2HG2 ILE 17 0.003 -2.659 1.426
129 HG23 ILE 17 3HG2 ILE 17 -1.355 -1.802 0.698
130 HD11 ILE 17 3HD1 ILE 17 0.833 -4.787 1.975
131 HD12 ILE 17 1HD1 ILE 17 0.615 -6.508 1.661
132 HD13 ILE 17 2HD1 ILE 17 -0.404 -5.698 2.846
133 H ILE 18 H ILE 18 -4.754 -3.449 1.539
134 HA ILE 18 HA ILE 18 -4.966 -0.628 1.445
135 HB ILE 18 HB ILE 18 -7.251 -2.635 1.801
136 HG12 ILE 18 2HG1 ILE 18 -6.080 -1.500 -0.789
137 HG13 ILE 18 3HG1 ILE 18 -5.853 -3.143 -0.209
138 HG21 ILE 18 1HG2 ILE 18 -7.964 -0.320 2.296
139 HG22 ILE 18 2HG2 ILE 18 -8.704 -0.889 0.802
140 HG23 ILE 18 3HG2 ILE 18 -7.334 0.220 0.739
141 HD11 ILE 18 3HD1 ILE 18 -8.248 -3.558 -0.458
142 HD12 ILE 18 1HD1 ILE 18 -7.501 -3.054 -1.973
143 HD13 ILE 18 2HD1 ILE 18 -8.471 -1.909 -1.047
144 H ARG 19 H ARG 19 -5.917 -3.005 3.907
145 HA ARG 19 HA ARG 19 -6.875 -1.119 5.843
146 HB2 ARG 19 2HB ARG 19 -6.138 -4.066 6.049
147 HB3 ARG 19 3HB ARG 19 -6.862 -3.150 7.373
148 HG2 ARG 19 2HG ARG 19 -8.911 -2.846 6.192
149 HG3 ARG 19 3HG ARG 19 -8.204 -3.358 4.660
150 HD2 ARG 19 2HD ARG 19 -7.999 -5.661 5.514
151 HD3 ARG 19 3HD ARG 19 -8.658 -5.153 7.067
152 HE ARG 19 HE ARG 19 -10.729 -5.416 6.203
153 HH11 ARG 19 1HH1 ARG 19 -8.665 -4.765 3.413
154 HH12 ARG 19 2HH1 ARG 19 -9.961 -4.970 2.276
155 HH21 ARG 19 1HH2 ARG 19 -12.370 -5.691 4.684
156 HH22 ARG 19 2HH2 ARG 19 -12.041 -5.489 2.993
157 H GLU 20 H GLU 20 -3.674 -2.464 5.161
158 HA GLU 20 HA GLU 20 -2.429 -1.843 7.667
159 HB2 GLU 20 2HB GLU 20 -1.123 -2.088 4.910
160 HB3 GLU 20 3HB GLU 20 -0.260 -2.051 6.441
161 HG2 GLU 20 2HG GLU 20 -2.144 -4.209 5.504
162 HG3 GLU 20 3HG GLU 20 -0.393 -4.308 5.550
163 H ILE 21 H ILE 21 -2.945 -0.105 4.674
164 HA ILE 21 HA ILE 21 -1.471 2.249 5.431
165 HB ILE 21 HB ILE 21 -3.646 1.977 3.299
166 HG12 ILE 21 2HG1 ILE 21 -1.890 0.384 2.766
167 HG13 ILE 21 3HG1 ILE 21 -1.734 1.745 1.668
168 HG21 ILE 21 1HG2 ILE 21 -2.611 3.983 2.288
169 HG22 ILE 21 2HG2 ILE 21 -1.480 4.086 3.635
170 HG23 ILE 21 3HG2 ILE 21 -3.207 4.314 3.915
171 HD11 ILE 21 3HD1 ILE 21 0.428 0.970 2.400
172 HD12 ILE 21 1HD1 ILE 21 -0.016 1.195 4.089
173 HD13 ILE 21 2HD1 ILE 21 0.142 2.593 3.022
174 H ARG 22 H ARG 22 -4.839 1.155 5.603
175 HA ARG 22 HA ARG 22 -5.801 3.821 6.270
176 HB2 ARG 22 2HB ARG 22 -7.241 1.251 5.598
177 HB3 ARG 22 3HB ARG 22 -8.101 2.671 6.203
178 HG2 ARG 22 2HG ARG 22 -7.166 4.017 4.334
179 HG3 ARG 22 3HG ARG 22 -6.380 2.572 3.700
180 HD2 ARG 22 2HD ARG 22 -8.474 1.569 3.135
181 HD3 ARG 22 3HD ARG 22 -9.381 2.767 4.076
182 HE ARG 22 HE ARG 22 -7.886 4.137 2.155
183 HH11 ARG 22 1HH1 ARG 22 -10.615 1.903 2.171
184 HH12 ARG 22 2HH1 ARG 22 -11.295 2.558 0.710
185 HH21 ARG 22 1HH2 ARG 22 -8.849 5.051 0.352
186 HH22 ARG 22 2HH2 ARG 22 -10.292 4.354 -0.322
187 H GLU 23 H GLU 23 -4.742 1.171 8.110
188 HA GLU 23 HA GLU 23 -6.292 1.627 10.478
189 HB2 GLU 23 2HB GLU 23 -4.485 0.380 11.652
190 HB3 GLU 23 3HB GLU 23 -4.997 -0.458 10.190
191 HG2 GLU 23 2HG GLU 23 -3.036 0.337 8.992
192 HG3 GLU 23 3HG GLU 23 -2.528 1.282 10.385
193 H GLN 24 H GLN 24 -3.438 3.084 9.059
194 HA GLN 24 HA GLN 24 -2.947 4.853 11.369
195 HB2 GLN 24 2HB GLN 24 -1.279 4.383 8.849
196 HB3 GLN 24 3HB GLN 24 -0.802 5.370 10.228
197 HG2 GLN 24 2HG GLN 24 -0.737 3.407 11.678
198 HG3 GLN 24 3HG GLN 24 -1.351 2.389 10.382
199 HE21 GLN 24 1HE2 GLN 24 1.088 2.067 11.912
200 HE22 GLN 24 2HE2 GLN 24 2.392 2.092 10.782
201 H TRP 25 H TRP 25 -3.728 4.935 7.902
202 HA TRP 25 HA TRP 25 -4.629 7.755 8.130
203 HB2 TRP 25 2HB TRP 25 -3.412 6.593 5.579
204 HB3 TRP 25 3HB TRP 25 -3.822 8.271 5.913
205 HD1 TRP 25 HD1 TRP 25 -2.073 9.634 7.535
206 HE1 TRP 25 HE1 TRP 25 0.426 9.240 7.992
207 HE3 TRP 25 HE3 TRP 25 -1.684 4.846 5.832
208 HZ2 TRP 25 HZ2 TRP 25 2.316 7.169 7.671
209 HZ3 TRP 25 HZ3 TRP 25 0.486 3.709 5.946
210 HH2 TRP 25 HH2 TRP 25 2.440 4.854 6.852
211 HA PRO 26 HA PRO 26 -8.270 5.225 6.583
212 HB2 PRO 26 2HB PRO 26 -10.151 6.899 7.751
213 HB3 PRO 26 3HB PRO 26 -9.419 5.516 8.584
214 HG2 PRO 26 2HG PRO 26 -8.672 8.417 8.760
215 HG3 PRO 26 3HG PRO 26 -8.856 7.225 10.068
216 HD2 PRO 26 2HD PRO 26 -6.423 7.904 9.133
217 HD3 PRO 26 3HD PRO 26 -6.781 6.233 9.636
218 H LYS 27 H LYS 27 -7.231 8.492 6.449
219 HA LYS 27 HA LYS 27 -9.018 9.415 4.347
220 HB2 LYS 27 2HB LYS 27 -7.861 11.557 4.682
221 HB3 LYS 27 3HB LYS 27 -8.352 10.884 6.233
222 HG2 LYS 27 2HG LYS 27 -6.023 10.047 6.579
223 HG3 LYS 27 3HG LYS 27 -5.553 10.810 5.056
224 HD2 LYS 27 2HD LYS 27 -6.380 13.023 6.084
225 HD3 LYS 27 3HD LYS 27 -6.453 12.159 7.624
226 HE2 LYS 27 2HE LYS 27 -4.342 13.357 7.457
227 HE3 LYS 27 3HE LYS 27 -4.026 11.621 7.396
228 HZ1 LYS 27 3HZ LYS 27 -2.744 12.846 5.742
229 HZ2 LYS 27 1HZ LYS 27 -4.164 13.429 5.034
230 HZ3 LYS 27 2HZ LYS 27 -3.815 11.776 4.995
231 H ALA 28 H ALA 28 -7.197 7.168 3.585
232 HA ALA 28 HA ALA 28 -5.190 8.488 1.867
233 HB1 ALA 28 3HB ALA 28 -4.005 7.262 3.639
234 HB2 ALA 28 1HB ALA 28 -3.773 6.467 2.081
235 HB3 ALA 28 2HB ALA 28 -4.905 5.795 3.260
236 H THR 29 H THR 29 -5.917 8.277 -0.255
237 HA THR 29 HA THR 29 -8.041 6.497 -0.921
238 HB THR 29 HB THR 29 -6.243 8.205 -2.709
239 HG1 THR 29 HG1 THR 29 -8.247 8.851 -0.958
240 HG21 THR 29 3HG2 THR 29 -9.014 7.058 -3.269
241 HG22 THR 29 1HG2 THR 29 -7.511 6.518 -4.017
242 HG23 THR 29 2HG2 THR 29 -8.116 8.146 -4.331
243 H VAL 30 H VAL 30 -7.610 4.333 -1.034
244 HA VAL 30 HA VAL 30 -5.188 3.395 -2.481
245 HB VAL 30 HB VAL 30 -6.930 1.616 -0.690
246 HG11 VAL 30 1HG1 VAL 30 -4.966 0.121 -0.719
247 HG12 VAL 30 2HG1 VAL 30 -4.085 1.273 -1.722
248 HG13 VAL 30 3HG1 VAL 30 -5.520 0.468 -2.358
249 HG21 VAL 30 3HG2 VAL 30 -4.392 3.040 0.200
250 HG22 VAL 30 1HG2 VAL 30 -5.297 1.847 1.137
251 HG23 VAL 30 2HG2 VAL 30 -6.023 3.410 0.757
252 H THR 31 H THR 31 -5.730 2.894 -4.571
253 HA THR 31 HA THR 31 -8.441 2.124 -5.297
254 HB THR 31 HB THR 31 -5.968 2.628 -7.032
255 HG1 THR 31 HG1 THR 31 -8.064 4.500 -6.775
256 HG21 THR 31 3HG2 THR 31 -7.578 2.947 -8.869
257 HG22 THR 31 1HG2 THR 31 -8.919 2.576 -7.784
258 HG23 THR 31 2HG2 THR 31 -7.736 1.329 -8.187
259 H ARG 32 H ARG 32 -8.938 0.021 -5.702
260 HA ARG 32 HA ARG 32 -6.976 -2.056 -5.169
261 HB2 ARG 32 2HB ARG 32 -9.174 -2.210 -4.103
262 HB3 ARG 32 3HB ARG 32 -9.983 -2.083 -5.659
263 HG2 ARG 32 2HG ARG 32 -9.033 -4.297 -6.304
264 HG3 ARG 32 3HG ARG 32 -8.308 -4.428 -4.698
265 HD2 ARG 32 2HD ARG 32 -10.459 -5.672 -4.897
266 HD3 ARG 32 3HD ARG 32 -10.512 -4.418 -3.653
267 HE ARG 32 HE ARG 32 -11.468 -3.403 -6.121
268 HH11 ARG 32 1HH1 ARG 32 -12.498 -5.560 -3.534
269 HH12 ARG 32 2HH1 ARG 32 -14.184 -5.265 -3.804
270 HH21 ARG 32 1HH2 ARG 32 -13.672 -2.971 -6.409
271 HH22 ARG 32 2HH2 ARG 32 -14.846 -3.797 -5.435
272 H THR 33 H THR 33 -6.057 -3.285 -6.706
273 HA THR 33 HA THR 33 -7.071 -3.402 -9.461
274 HB THR 33 HB THR 33 -4.597 -3.171 -10.248
275 HG1 THR 33 HG1 THR 33 -4.071 -3.097 -7.761
276 HG21 THR 33 3HG2 THR 33 -4.651 -0.704 -10.345
277 HG22 THR 33 1HG2 THR 33 -5.918 -0.669 -9.116
278 HG23 THR 33 2HG2 THR 33 -6.244 -1.372 -10.702
279 H ASN 34 H ASN 34 -6.951 -5.560 -10.178
280 HA ASN 34 HA ASN 34 -6.309 -7.546 -8.223
281 HB2 ASN 34 2HB ASN 34 -8.159 -7.768 -9.918
282 HB3 ASN 34 3HB ASN 34 -6.947 -7.918 -11.188
283 HD21 ASN 34 1HD2 ASN 34 -7.582 -9.979 -11.799
284 HD22 ASN 34 2HD2 ASN 34 -7.355 -11.378 -10.811
285 H GLY 35 H GLY 35 -4.200 -7.929 -7.715
286 HA2 GLY 35 2HA GLY 35 -2.160 -9.119 -8.306
287 HA3 GLY 35 3HA GLY 35 -2.198 -8.346 -9.881
288 H ASP 36 H ASP 36 -3.049 -5.815 -8.082
289 HA ASP 36 HA ASP 36 -0.385 -5.091 -7.058
290 HB2 ASP 36 2HB ASP 36 -1.852 -3.520 -9.223
291 HB3 ASP 36 3HB ASP 36 -0.515 -2.858 -8.289
292 H ILE 37 H ILE 37 -0.443 -2.853 -6.048
293 HA ILE 37 HA ILE 37 -3.058 -2.024 -4.969
294 HB ILE 37 HB ILE 37 -0.405 -2.293 -3.443
295 HG12 ILE 37 2HG1 ILE 37 -1.835 -4.357 -3.551
296 HG13 ILE 37 3HG1 ILE 37 -1.630 -3.762 -1.908
297 HG21 ILE 37 1HG2 ILE 37 -2.937 -0.875 -2.497
298 HG22 ILE 37 2HG2 ILE 37 -1.385 -0.116 -2.860
299 HG23 ILE 37 3HG2 ILE 37 -1.524 -1.222 -1.497
300 HD11 ILE 37 3HD1 ILE 37 -4.074 -3.397 -3.651
301 HD12 ILE 37 1HD1 ILE 37 -3.884 -2.751 -2.018
302 HD13 ILE 37 2HD1 ILE 37 -3.907 -4.492 -2.283
303 H LYS 38 H LYS 38 -3.350 -0.133 -6.061
304 HA LYS 38 HA LYS 38 -1.110 1.768 -6.324
305 HB2 LYS 38 2HB LYS 38 -3.861 1.587 -7.597
306 HB3 LYS 38 3HB LYS 38 -3.047 3.151 -7.514
307 HG2 LYS 38 2HG LYS 38 -1.084 2.170 -8.690
308 HG3 LYS 38 3HG LYS 38 -1.973 0.651 -8.863
309 HD2 LYS 38 2HD LYS 38 -3.584 1.636 -10.324
310 HD3 LYS 38 3HD LYS 38 -3.085 3.278 -9.906
311 HE2 LYS 38 2HE LYS 38 -1.400 1.279 -11.456
312 HE3 LYS 38 3HE LYS 38 -2.304 2.626 -12.149
313 HZ1 LYS 38 3HZ LYS 38 -0.002 3.221 -11.878
314 HZ2 LYS 38 1HZ LYS 38 -0.048 2.855 -10.228
315 HZ3 LYS 38 2HZ LYS 38 -0.945 4.149 -10.827
316 H LEU 39 H LEU 39 -0.762 2.946 -4.609
317 HA LEU 39 HA LEU 39 -2.996 3.920 -2.928
318 HB2 LEU 39 2HB LEU 39 -1.414 2.596 -1.652
319 HB3 LEU 39 3HB LEU 39 -0.046 3.466 -2.326
320 HG LEU 39 HG LEU 39 -0.684 5.500 -1.062
321 HD11 LEU 39 1HD1 LEU 39 -2.948 3.858 0.106
322 HD12 LEU 39 2HD1 LEU 39 -3.114 5.236 -0.982
323 HD13 LEU 39 3HD1 LEU 39 -2.457 5.470 0.636
324 HD21 LEU 39 3HD2 LEU 39 -0.498 3.024 0.666
325 HD22 LEU 39 1HD2 LEU 39 -0.143 4.674 1.184
326 HD23 LEU 39 2HD2 LEU 39 0.853 3.906 -0.047
327 H ASP 40 H ASP 40 -3.218 6.057 -2.610
328 HA ASP 40 HA ASP 40 -1.530 7.983 -4.060
329 HB2 ASP 40 2HB ASP 40 -3.928 8.220 -4.508
330 HB3 ASP 40 3HB ASP 40 -4.297 8.230 -2.786
331 H ALA 41 H ALA 41 0.166 8.365 -2.773
332 HA ALA 41 HA ALA 41 -0.002 8.708 0.102
333 HB1 ALA 41 3HB ALA 41 2.016 7.727 -0.915
334 HB2 ALA 41 1HB ALA 41 2.416 9.228 -0.078
335 HB3 ALA 41 2HB ALA 41 2.290 9.203 -1.839
336 H GLN 42 H GLN 42 -0.333 10.613 1.125
337 HA GLN 42 HA GLN 42 -1.169 12.974 -0.086
338 HB2 GLN 42 2HB GLN 42 -1.566 12.449 2.316
339 HB3 GLN 42 3HB GLN 42 0.148 12.673 2.652
340 HG2 GLN 42 2HG GLN 42 -0.087 15.071 1.914
341 HG3 GLN 42 3HG GLN 42 -1.826 14.814 1.773
342 HE21 GLN 42 1HE2 GLN 42 -0.394 16.676 3.460
343 HE22 GLN 42 2HE2 GLN 42 -0.832 16.303 5.086
344 H THR 43 H THR 43 1.985 12.249 1.334
345 HA THR 43 HA THR 43 3.354 13.747 -0.770
346 HB THR 43 HB THR 43 3.261 15.431 0.991
347 HG1 THR 43 HG1 THR 43 5.257 15.300 -0.079
348 HG21 THR 43 3HG2 THR 43 4.446 13.369 2.888
349 HG22 THR 43 1HG2 THR 43 2.803 14.013 2.954
350 HG23 THR 43 2HG2 THR 43 4.180 15.071 3.260
351 H GLU 44 H GLU 44 5.744 13.256 -0.664
352 HA GLU 44 HA GLU 44 6.153 10.445 -0.703
353 HB2 GLU 44 2HB GLU 44 7.584 12.852 -1.606
354 HB3 GLU 44 3HB GLU 44 8.706 11.703 -0.896
355 HG2 GLU 44 2HG GLU 44 6.753 11.067 -3.126
356 HG3 GLU 44 3HG GLU 44 8.456 11.452 -3.350
357 H LYS 45 H LYS 45 6.819 12.969 1.618
358 HA LYS 45 HA LYS 45 8.549 11.519 3.332
359 HB2 LYS 45 2HB LYS 45 8.243 14.004 3.420
360 HB3 LYS 45 3HB LYS 45 6.619 13.767 4.042
361 HG2 LYS 45 2HG LYS 45 7.786 14.234 5.990
362 HG3 LYS 45 3HG LYS 45 7.809 12.478 5.999
363 HD2 LYS 45 2HD LYS 45 10.120 14.231 5.056
364 HD3 LYS 45 3HD LYS 45 9.975 13.570 6.676
365 HE2 LYS 45 2HE LYS 45 11.431 12.037 5.720
366 HE3 LYS 45 3HE LYS 45 9.892 11.244 5.391
367 HZ1 LYS 45 3HZ LYS 45 9.963 12.196 3.142
368 HZ2 LYS 45 1HZ LYS 45 11.316 11.232 3.448
369 HZ3 LYS 45 2HZ LYS 45 11.448 12.913 3.479
370 H GLU 46 H GLU 46 5.055 11.724 3.024
371 HA GLU 46 HA GLU 46 4.446 10.126 5.338
372 HB2 GLU 46 2HB GLU 46 2.913 11.901 4.153
373 HB3 GLU 46 3HB GLU 46 2.539 10.610 3.015
374 HG2 GLU 46 2HG GLU 46 0.820 10.703 4.714
375 HG3 GLU 46 3HG GLU 46 1.740 9.210 4.910
376 H ALA 47 H ALA 47 5.067 9.624 1.943
377 HA ALA 47 HA ALA 47 4.035 7.020 1.543
378 HB1 ALA 47 3HB ALA 47 5.455 6.978 -0.455
379 HB2 ALA 47 1HB ALA 47 6.359 8.376 0.139
380 HB3 ALA 47 2HB ALA 47 4.658 8.542 -0.292
381 H GLU 48 H GLU 48 6.943 8.176 3.053
382 HA GLU 48 HA GLU 48 8.603 5.917 2.968
383 HB2 GLU 48 2HB GLU 48 8.399 8.006 5.178
384 HB3 GLU 48 3HB GLU 48 9.769 6.940 4.891
385 HG2 GLU 48 2HG GLU 48 8.791 9.141 3.060
386 HG3 GLU 48 3HG GLU 48 10.230 9.190 4.070
387 H LYS 49 H LYS 49 5.990 6.789 5.199
388 HA LYS 49 HA LYS 49 6.421 4.436 6.896
389 HB2 LYS 49 2HB LYS 49 4.056 6.349 7.090
390 HB3 LYS 49 3HB LYS 49 4.635 5.228 8.308
391 HG2 LYS 49 2HG LYS 49 5.272 7.313 9.132
392 HG3 LYS 49 3HG LYS 49 6.758 6.714 8.394
393 HD2 LYS 49 2HD LYS 49 6.528 8.166 6.512
394 HD3 LYS 49 3HD LYS 49 4.840 8.505 6.871
395 HE2 LYS 49 2HE LYS 49 7.136 9.409 8.644
396 HE3 LYS 49 3HE LYS 49 6.417 10.397 7.371
397 HZ1 LYS 49 3HZ LYS 49 5.408 10.959 9.433
398 HZ2 LYS 49 1HZ LYS 49 5.045 9.342 9.775
399 HZ3 LYS 49 2HZ LYS 49 4.259 10.132 8.505
400 H MET 50 H MET 50 4.291 5.640 4.440
401 HA MET 50 HA MET 50 2.200 3.765 4.471
402 HB2 MET 50 2HB MET 50 3.315 5.407 2.169
403 HB3 MET 50 3HB MET 50 1.929 4.344 1.963
404 HG2 MET 50 2HG MET 50 0.742 5.594 3.754
405 HG3 MET 50 3HG MET 50 2.113 6.699 3.851
406 HE1 MET 50 3HE MET 50 -1.118 7.345 3.201
407 HE2 MET 50 1HE MET 50 -0.883 8.673 2.064
408 HE3 MET 50 2HE MET 50 0.090 8.589 3.532
409 H GLU 51 H GLU 51 4.991 3.628 2.206
410 HA GLU 51 HA GLU 51 4.686 1.008 1.311
411 HB2 GLU 51 2HB GLU 51 7.016 1.139 0.605
412 HB3 GLU 51 3HB GLU 51 6.248 2.702 0.354
413 HG2 GLU 51 2HG GLU 51 7.256 3.481 2.513
414 HG3 GLU 51 3HG GLU 51 8.121 1.951 2.613
415 H LYS 52 H LYS 52 5.954 2.159 4.344
416 HA LYS 52 HA LYS 52 7.270 -0.263 5.206
417 HB2 LYS 52 2HB LYS 52 8.015 1.970 5.963
418 HB3 LYS 52 3HB LYS 52 6.459 2.249 6.734
419 HG2 LYS 52 2HG LYS 52 6.913 0.454 8.341
420 HG3 LYS 52 3HG LYS 52 8.448 0.107 7.542
421 HD2 LYS 52 2HD LYS 52 9.299 2.343 8.150
422 HD3 LYS 52 3HD LYS 52 7.744 2.752 8.880
423 HE2 LYS 52 2HE LYS 52 9.613 0.558 9.840
424 HE3 LYS 52 3HE LYS 52 9.414 2.148 10.581
425 HZ1 LYS 52 3HZ LYS 52 7.092 1.600 11.009
426 HZ2 LYS 52 1HZ LYS 52 8.129 0.492 11.744
427 HZ3 LYS 52 2HZ LYS 52 7.310 0.069 10.333
428 H ALA 53 H ALA 53 4.096 1.214 5.620
429 HA ALA 53 HA ALA 53 2.992 -0.592 7.492
430 HB1 ALA 53 3HB ALA 53 1.974 1.593 6.997
431 HB2 ALA 53 1HB ALA 53 0.806 0.291 6.780
432 HB3 ALA 53 2HB ALA 53 1.554 1.051 5.371
433 H VAL 54 H VAL 54 3.088 -0.619 3.951
434 HA VAL 54 HA VAL 54 1.621 -2.922 3.346
435 HB VAL 54 HB VAL 54 4.173 -1.922 1.987
436 HG11 VAL 54 1HG1 VAL 54 3.609 -4.195 1.260
437 HG12 VAL 54 2HG1 VAL 54 3.341 -3.040 -0.044
438 HG13 VAL 54 3HG1 VAL 54 1.966 -3.682 0.856
439 HG21 VAL 54 3HG2 VAL 54 1.283 -1.156 1.426
440 HG22 VAL 54 1HG2 VAL 54 2.678 -0.653 0.469
441 HG23 VAL 54 2HG2 VAL 54 2.518 -0.125 2.145
442 H LYS 55 H LYS 55 5.060 -2.544 4.105
443 HA LYS 55 HA LYS 55 5.994 -5.136 3.918
444 HB2 LYS 55 2HB LYS 55 6.915 -2.875 5.718
445 HB3 LYS 55 3HB LYS 55 7.817 -4.380 5.535
446 HG2 LYS 55 2HG LYS 55 8.247 -3.947 3.212
447 HG3 LYS 55 3HG LYS 55 7.125 -2.582 3.191
448 HD2 LYS 55 2HD LYS 55 8.591 -1.284 4.638
449 HD3 LYS 55 3HD LYS 55 9.671 -2.661 4.860
450 HE2 LYS 55 2HE LYS 55 9.148 -1.328 2.183
451 HE3 LYS 55 3HE LYS 55 10.510 -0.945 3.238
452 HZ1 LYS 55 3HZ LYS 55 11.139 -2.519 1.539
453 HZ2 LYS 55 1HZ LYS 55 9.951 -3.603 2.050
454 HZ3 LYS 55 2HZ LYS 55 11.250 -3.237 3.066
455 H LYS 56 H LYS 56 3.970 -3.858 6.456
456 HA LYS 56 HA LYS 56 4.690 -5.670 8.540
457 HB2 LYS 56 2HB LYS 56 2.046 -4.187 8.150
458 HB3 LYS 56 3HB LYS 56 2.570 -4.964 9.642
459 HG2 LYS 56 2HG LYS 56 4.579 -3.406 9.624
460 HG3 LYS 56 3HG LYS 56 3.808 -2.538 8.305
461 HD2 LYS 56 2HD LYS 56 2.614 -2.887 11.084
462 HD3 LYS 56 3HD LYS 56 3.514 -1.473 10.554
463 HE2 LYS 56 2HE LYS 56 1.285 -0.800 10.338
464 HE3 LYS 56 3HE LYS 56 1.705 -1.273 8.695
465 HZ1 LYS 56 3HZ LYS 56 0.190 -2.891 10.663
466 HZ2 LYS 56 1HZ LYS 56 0.627 -3.418 9.124
467 HZ3 LYS 56 2HZ LYS 56 -0.448 -2.129 9.301
468 H VAL 57 H VAL 57 2.870 -6.148 5.671
469 HA VAL 57 HA VAL 57 1.889 -8.815 6.526
470 HB VAL 57 HB VAL 57 1.219 -7.108 4.074
471 HG11 VAL 57 1HG1 VAL 57 -0.496 -8.803 3.485
472 HG12 VAL 57 2HG1 VAL 57 0.098 -9.858 4.769
473 HG13 VAL 57 3HG1 VAL 57 1.135 -9.472 3.393
474 HG21 VAL 57 3HG2 VAL 57 -0.518 -7.927 6.422
475 HG22 VAL 57 1HG2 VAL 57 -0.996 -6.905 5.062
476 HG23 VAL 57 2HG2 VAL 57 0.227 -6.341 6.198
477 H LYS 58 H LYS 58 4.305 -7.224 4.593
478 HA LYS 58 HA LYS 58 5.382 -9.616 3.529
479 HB2 LYS 58 2HB LYS 58 5.103 -8.905 1.047
480 HB3 LYS 58 3HB LYS 58 3.741 -9.673 1.845
481 HG2 LYS 58 2HG LYS 58 2.714 -7.402 2.190
482 HG3 LYS 58 3HG LYS 58 4.036 -6.706 1.250
483 HD2 LYS 58 2HD LYS 58 2.135 -8.839 0.191
484 HD3 LYS 58 3HD LYS 58 1.920 -7.110 -0.079
485 HE2 LYS 58 2HE LYS 58 3.860 -6.963 -1.432
486 HE3 LYS 58 3HE LYS 58 4.468 -8.533 -0.892
487 HZ1 LYS 58 3HZ LYS 58 2.079 -8.068 -2.583
488 HZ2 LYS 58 1HZ LYS 58 2.623 -9.581 -2.062
489 HZ3 LYS 58 2HZ LYS 58 3.571 -8.655 -3.118
490 HA PRO 59 HA PRO 59 8.553 -6.305 4.137
491 HB2 PRO 59 2HB PRO 59 10.634 -8.036 4.662
492 HB3 PRO 59 3HB PRO 59 9.442 -7.563 5.889
493 HG2 PRO 59 2HG PRO 59 9.509 -10.050 4.201
494 HG3 PRO 59 3HG PRO 59 9.224 -9.891 5.952
495 HD2 PRO 59 2HD PRO 59 7.176 -10.202 4.227
496 HD3 PRO 59 3HD PRO 59 7.020 -9.162 5.661
497 H ASN 60 H ASN 60 8.309 -8.918 1.908
498 HA ASN 60 HA ASN 60 10.608 -8.132 0.252
499 HB2 ASN 60 2HB ASN 60 8.775 -10.553 0.212
500 HB3 ASN 60 3HB ASN 60 10.004 -10.234 -1.012
501 HD21 ASN 60 1HD2 ASN 60 11.327 -11.902 -0.603
502 HD22 ASN 60 2HD2 ASN 60 12.188 -12.126 0.868
503 H ALA 61 H ALA 61 7.733 -6.862 0.611
504 HA ALA 61 HA ALA 61 6.223 -6.981 -1.693
505 HB1 ALA 61 3HB ALA 61 5.510 -5.850 0.372
506 HB2 ALA 61 1HB ALA 61 5.335 -4.774 -1.013
507 HB3 ALA 61 2HB ALA 61 6.689 -4.565 0.102
508 H THR 62 H THR 62 6.718 -6.513 -3.802
509 HA THR 62 HA THR 62 8.930 -4.808 -4.542
510 HB THR 62 HB THR 62 6.682 -5.867 -6.321
511 HG1 THR 62 HG1 THR 62 8.827 -7.125 -5.134
512 HG21 THR 62 3HG2 THR 62 8.332 -5.648 -8.154
513 HG22 THR 62 1HG2 THR 62 9.506 -4.959 -7.030
514 HG23 THR 62 2HG2 THR 62 8.020 -4.083 -7.405
515 H ILE 63 H ILE 63 8.598 -2.738 -3.789
516 HA ILE 63 HA ILE 63 6.068 -1.336 -4.359
517 HB ILE 63 HB ILE 63 8.317 -0.597 -2.409
518 HG12 ILE 63 2HG1 ILE 63 5.601 -1.793 -1.696
519 HG13 ILE 63 3HG1 ILE 63 7.072 -2.745 -1.833
520 HG21 ILE 63 1HG2 ILE 63 5.518 0.583 -2.685
521 HG22 ILE 63 2HG2 ILE 63 7.023 1.368 -3.165
522 HG23 ILE 63 3HG2 ILE 63 6.712 1.034 -1.464
523 HD11 ILE 63 3HD1 ILE 63 6.602 -2.288 0.459
524 HD12 ILE 63 1HD1 ILE 63 6.533 -0.552 0.156
525 HD13 ILE 63 2HD1 ILE 63 8.062 -1.419 -0.013
526 H ARG 64 H ARG 64 6.122 0.284 -5.803
527 HA ARG 64 HA ARG 64 8.696 1.458 -6.640
528 HB2 ARG 64 2HB ARG 64 6.367 0.768 -8.507
529 HB3 ARG 64 3HB ARG 64 7.813 1.665 -8.966
530 HG2 ARG 64 2HG ARG 64 9.056 -0.506 -8.044
531 HG3 ARG 64 3HG ARG 64 7.504 -1.266 -8.383
532 HD2 ARG 64 2HD ARG 64 9.169 0.276 -10.393
533 HD3 ARG 64 3HD ARG 64 9.133 -1.477 -10.250
534 HE ARG 64 HE ARG 64 6.919 0.246 -11.190
535 HH11 ARG 64 1HH1 ARG 64 8.317 -2.977 -10.909
536 HH12 ARG 64 2HH1 ARG 64 7.186 -3.688 -12.012
537 HH21 ARG 64 1HH2 ARG 64 5.500 -0.704 -12.693
538 HH22 ARG 64 2HH2 ARG 64 5.600 -2.404 -13.016
539 H LYS 65 H LYS 65 8.685 3.626 -6.876
540 HA LYS 65 HA LYS 65 6.352 5.086 -5.779
541 HB2 LYS 65 2HB LYS 65 9.333 5.501 -5.239
542 HB3 LYS 65 3HB LYS 65 8.038 6.499 -4.586
543 HG2 LYS 65 2HG LYS 65 7.338 4.851 -3.070
544 HG3 LYS 65 3HG LYS 65 8.034 3.537 -4.014
545 HD2 LYS 65 2HD LYS 65 9.280 3.893 -1.925
546 HD3 LYS 65 3HD LYS 65 10.297 4.208 -3.330
547 HE2 LYS 65 2HE LYS 65 10.694 5.885 -1.601
548 HE3 LYS 65 3HE LYS 65 9.954 6.646 -3.008
549 HZ1 LYS 65 3HZ LYS 65 7.887 6.780 -1.894
550 HZ2 LYS 65 1HZ LYS 65 9.050 7.336 -0.798
551 HZ3 LYS 65 2HZ LYS 65 8.405 5.782 -0.629
552 H THR 66 H THR 66 5.581 6.252 -7.446
553 HA THR 66 HA THR 66 7.430 7.756 -9.216
554 HB THR 66 HB THR 66 4.788 6.426 -9.998
555 HG1 THR 66 HG1 THR 66 7.449 5.982 -10.927
556 HG21 THR 66 3HG2 THR 66 5.225 7.245 -12.288
557 HG22 THR 66 1HG2 THR 66 6.645 8.126 -11.716
558 HG23 THR 66 2HG2 THR 66 5.034 8.599 -11.174
559 H GLY 67 H GLY 67 7.173 9.868 -9.018
560 HA2 GLY 67 2HA GLY 67 5.150 11.567 -9.175
561 HA3 GLY 67 3HA GLY 67 4.914 10.992 -7.523
562 H GLY 68 H GLY 68 7.054 10.895 -6.244
563 HA2 GLY 68 2HA GLY 68 8.909 11.981 -5.370
564 HA3 GLY 68 3HA GLY 68 8.939 13.051 -6.766
565 H SER 69 H SER 69 9.466 14.287 -4.575
566 HA SER 69 HA SER 69 7.079 15.414 -3.311
567 HB2 SER 69 2HB SER 69 8.828 16.565 -1.859
568 HB3 SER 69 3HB SER 69 8.865 14.800 -1.800
569 HG SER 69 HG SER 69 10.907 15.121 -2.248
570 H LEU 70 H LEU 70 6.232 17.343 -3.860
571 HA LEU 70 HA LEU 70 7.285 18.986 -5.957
572 HB2 LEU 70 2HB LEU 70 4.848 18.883 -5.532
573 HB3 LEU 70 3HB LEU 70 5.077 19.534 -3.917
574 HG LEU 70 HG LEU 70 5.832 21.702 -4.891
575 HD11 LEU 70 1HD1 LEU 70 5.200 20.493 -7.601
576 HD12 LEU 70 2HD1 LEU 70 6.801 20.921 -6.996
577 HD13 LEU 70 3HD1 LEU 70 5.609 22.183 -7.288
578 HD21 LEU 70 3HD2 LEU 70 3.466 21.408 -4.322
579 HD22 LEU 70 1HD2 LEU 70 3.134 20.791 -5.943
580 HD23 LEU 70 2HD2 LEU 70 3.643 22.468 -5.719
581 H GLU 71 H GLU 71 9.055 20.206 -5.675
582 HA GLU 71 HA GLU 71 10.185 21.082 -3.254
583 HB2 GLU 71 2HB GLU 71 11.449 21.007 -5.399
584 HB3 GLU 71 3HB GLU 71 10.455 22.317 -6.035
585 HG2 GLU 71 2HG GLU 71 11.317 23.800 -4.222
586 HG3 GLU 71 3HG GLU 71 12.381 22.501 -3.690
587 H HIS 72 H HIS 72 9.610 22.694 -1.929
588 HA HIS 72 HA HIS 72 7.324 24.367 -2.449
589 HB2 HIS 72 2HB HIS 72 9.202 24.165 -0.044
590 HB3 HIS 72 3HB HIS 72 7.802 25.236 -0.106
591 HD1 HIS 72 HD1 HIS 72 8.748 21.819 0.767
592 HD2 HIS 72 HD2 HIS 72 5.280 23.776 -0.413
593 HE1 HIS 72 HE1 HIS 72 6.861 20.288 1.396
594 HE2 HIS 72 HE2 HIS 72 4.806 21.404 0.476
595 H HIS 73 H HIS 73 8.340 25.276 -4.352
596 HA HIS 73 HA HIS 73 10.273 27.448 -3.877
597 HB2 HIS 73 2HB HIS 73 10.755 25.829 -5.743
598 HB3 HIS 73 3HB HIS 73 9.241 26.299 -6.512
599 HD1 HIS 73 HD1 HIS 73 9.789 27.746 -8.438
600 HD2 HIS 73 HD2 HIS 73 12.263 28.539 -5.200
601 HE1 HIS 73 HE1 HIS 73 11.241 29.659 -9.153
602 HE2 HIS 73 HE2 HIS 73 12.780 30.069 -7.213
603 H HIS 74 H HIS 74 9.299 29.265 -3.339
604 HA HIS 74 HA HIS 74 6.461 29.602 -3.452
605 HB2 HIS 74 2HB HIS 74 8.650 31.542 -2.590
606 HB3 HIS 74 3HB HIS 74 6.926 31.756 -2.281
607 HD1 HIS 74 HD1 HIS 74 5.949 30.537 -0.260
608 HD2 HIS 74 HD2 HIS 74 9.838 29.351 -1.112
609 HE1 HIS 74 HE1 HIS 74 6.672 29.118 1.684
610 HE2 HIS 74 HE2 HIS 74 9.059 28.511 1.194
611 H HIS 75 H HIS 75 8.942 30.333 -5.654
612 HA HIS 75 HA HIS 75 9.022 31.188 -7.729
613 HB2 HIS 75 2HB HIS 75 6.831 29.962 -7.980
614 HB3 HIS 75 3HB HIS 75 5.979 31.434 -7.542
615 HD1 HIS 75 HD1 HIS 75 5.417 32.999 -9.401
616 HD2 HIS 75 HD2 HIS 75 8.208 30.147 -10.559
617 HE1 HIS 75 HE1 HIS 75 5.677 33.276 -11.880
618 HE2 HIS 75 HE2 HIS 75 7.352 31.530 -12.563
619 H HIS 76 H HIS 76 9.051 32.843 -5.261
620 HA HIS 76 HA HIS 76 8.012 35.460 -5.955
621 HB2 HIS 76 2HB HIS 76 7.909 34.715 -3.611
622 HB3 HIS 76 3HB HIS 76 9.653 34.488 -3.567
623 HD1 HIS 76 HD1 HIS 76 7.152 37.317 -4.072
624 HD2 HIS 76 HD2 HIS 76 11.012 36.704 -2.654
625 HE1 HIS 76 HE1 HIS 76 7.914 39.544 -3.188
626 HE2 HIS 76 HE2 HIS 76 10.246 39.153 -2.342
627 H HIS 77 H HIS 77 9.199 37.205 -6.545
628 HA HIS 77 HA HIS 77 12.093 37.084 -6.903
629 HB2 HIS 77 2HB HIS 77 11.792 37.840 -9.357
630 HB3 HIS 77 3HB HIS 77 11.468 36.145 -9.016
631 HD1 HIS 77 HD1 HIS 77 8.867 35.503 -8.821
632 HD2 HIS 77 HD2 HIS 77 9.693 39.151 -10.622
633 HE1 HIS 77 HE1 HIS 77 6.763 36.146 -10.018
634 HE2 HIS 77 HE2 HIS 77 7.239 38.412 -10.992
Start of MODEL 3
1 H1 MET 1 1H MET 1 1.510 14.774 -5.054
2 H2 MET 1 2H MET 1 1.381 13.991 -3.567
3 H3 MET 1 3H MET 1 0.087 14.907 -4.151
4 HA MET 1 HA MET 1 -0.347 12.589 -4.399
5 HB2 MET 1 2HB MET 1 -1.277 14.148 -6.068
6 HB3 MET 1 3HB MET 1 0.172 14.001 -7.051
7 HG2 MET 1 2HG MET 1 -0.352 11.740 -7.637
8 HG3 MET 1 3HG MET 1 -1.616 11.644 -6.414
9 HE1 MET 1 3HE MET 1 -3.329 14.269 -6.719
10 HE2 MET 1 1HE MET 1 -4.013 12.642 -6.637
11 HE3 MET 1 2HE MET 1 -4.508 13.747 -7.919
12 H VAL 2 H VAL 2 0.996 11.013 -3.807
13 HA VAL 2 HA VAL 2 3.331 10.324 -5.515
14 HB VAL 2 HB VAL 2 2.891 9.664 -2.554
15 HG11 VAL 2 1HG1 VAL 2 5.226 8.835 -2.579
16 HG12 VAL 2 2HG1 VAL 2 5.321 9.131 -4.316
17 HG13 VAL 2 3HG1 VAL 2 4.206 7.916 -3.689
18 HG21 VAL 2 3HG2 VAL 2 3.351 12.059 -2.873
19 HG22 VAL 2 1HG2 VAL 2 4.794 11.678 -3.818
20 HG23 VAL 2 2HG2 VAL 2 4.725 11.265 -2.103
21 H ASP 3 H ASP 3 3.117 8.484 -6.605
22 HA ASP 3 HA ASP 3 0.723 6.823 -6.247
23 HB2 ASP 3 2HB ASP 3 1.036 7.786 -8.467
24 HB3 ASP 3 3HB ASP 3 2.677 7.154 -8.565
25 H LEU 4 H LEU 4 1.154 5.248 -4.801
26 HA LEU 4 HA LEU 4 3.576 3.584 -5.039
27 HB2 LEU 4 2HB LEU 4 1.455 3.594 -2.843
28 HB3 LEU 4 3HB LEU 4 2.973 2.707 -2.824
29 HG LEU 4 HG LEU 4 2.643 5.732 -2.671
30 HD11 LEU 4 1HD1 LEU 4 2.134 4.626 -0.554
31 HD12 LEU 4 2HD1 LEU 4 3.646 5.518 -0.431
32 HD13 LEU 4 3HD1 LEU 4 3.674 3.762 -0.602
33 HD21 LEU 4 3HD2 LEU 4 5.096 5.852 -2.422
34 HD22 LEU 4 1HD2 LEU 4 4.618 5.238 -4.004
35 HD23 LEU 4 2HD2 LEU 4 5.213 4.125 -2.770
36 H LYS 5 H LYS 5 3.331 1.913 -6.386
37 HA LYS 5 HA LYS 5 0.750 0.442 -6.487
38 HB2 LYS 5 2HB LYS 5 3.050 0.245 -8.481
39 HB3 LYS 5 3HB LYS 5 1.474 -0.529 -8.611
40 HG2 LYS 5 2HG LYS 5 0.478 1.826 -8.711
41 HG3 LYS 5 3HG LYS 5 2.135 2.414 -8.894
42 HD2 LYS 5 2HD LYS 5 2.363 0.867 -10.901
43 HD3 LYS 5 3HD LYS 5 0.636 0.529 -10.755
44 HE2 LYS 5 2HE LYS 5 1.948 3.183 -11.393
45 HE3 LYS 5 3HE LYS 5 0.933 2.206 -12.452
46 HZ1 LYS 5 3HZ LYS 5 -0.917 2.611 -10.899
47 HZ2 LYS 5 1HZ LYS 5 -0.317 4.032 -11.595
48 HZ3 LYS 5 2HZ LYS 5 0.083 3.646 -10.000
49 H ILE 6 H ILE 6 0.765 -1.345 -5.211
50 HA ILE 6 HA ILE 6 3.380 -2.568 -4.524
51 HB ILE 6 HB ILE 6 0.741 -2.681 -2.984
52 HG12 ILE 6 2HG1 ILE 6 2.283 -1.649 -1.133
53 HG13 ILE 6 3HG1 ILE 6 3.396 -1.277 -2.438
54 HG21 ILE 6 1HG2 ILE 6 3.364 -4.092 -2.342
55 HG22 ILE 6 2HG2 ILE 6 1.856 -4.865 -2.837
56 HG23 ILE 6 3HG2 ILE 6 1.948 -4.033 -1.287
57 HD11 ILE 6 3HD1 ILE 6 2.052 0.644 -1.820
58 HD12 ILE 6 1HD1 ILE 6 0.570 -0.247 -2.165
59 HD13 ILE 6 2HD1 ILE 6 1.689 0.148 -3.473
60 H ASP 7 H ASP 7 3.819 -4.339 -5.632
61 HA ASP 7 HA ASP 7 1.971 -5.999 -7.026
62 HB2 ASP 7 2HB ASP 7 4.827 -6.552 -6.088
63 HB3 ASP 7 3HB ASP 7 3.932 -7.606 -7.176
64 H VAL 8 H VAL 8 0.627 -7.495 -6.160
65 HA VAL 8 HA VAL 8 1.215 -8.603 -3.469
66 HB VAL 8 HB VAL 8 -1.255 -8.952 -3.194
67 HG11 VAL 8 1HG1 VAL 8 -0.175 -7.031 -2.137
68 HG12 VAL 8 2HG1 VAL 8 -1.787 -6.572 -2.683
69 HG13 VAL 8 3HG1 VAL 8 -0.367 -6.066 -3.604
70 HG21 VAL 8 3HG2 VAL 8 -1.526 -7.245 -5.711
71 HG22 VAL 8 1HG2 VAL 8 -2.854 -7.744 -4.656
72 HG23 VAL 8 2HG2 VAL 8 -1.949 -8.952 -5.569
73 H SER 9 H SER 9 0.744 -10.705 -3.047
74 HA SER 9 HA SER 9 1.292 -12.595 -5.138
75 HB2 SER 9 2HB SER 9 2.262 -12.822 -2.879
76 HB3 SER 9 3HB SER 9 0.656 -13.008 -2.178
77 HG SER 9 HG SER 9 1.217 -15.049 -2.436
78 H ASP 10 H ASP 10 -1.582 -11.549 -3.416
79 HA ASP 10 HA ASP 10 -3.415 -13.195 -4.894
80 HB2 ASP 10 2HB ASP 10 -4.161 -14.617 -3.009
81 HB3 ASP 10 3HB ASP 10 -2.458 -14.901 -3.347
82 H ASP 11 H ASP 11 -5.570 -13.214 -3.147
83 HA ASP 11 HA ASP 11 -6.370 -10.417 -3.375
84 HB2 ASP 11 2HB ASP 11 -7.947 -12.920 -2.626
85 HB3 ASP 11 3HB ASP 11 -8.658 -11.310 -2.691
86 H GLU 12 H GLU 12 -5.757 -12.803 -0.843
87 HA GLU 12 HA GLU 12 -6.961 -11.360 1.303
88 HB2 GLU 12 2HB GLU 12 -6.617 -13.827 1.324
89 HB3 GLU 12 3HB GLU 12 -4.875 -13.582 1.402
90 HG2 GLU 12 2HG GLU 12 -5.216 -12.365 3.584
91 HG3 GLU 12 3HG GLU 12 -6.919 -12.817 3.511
92 H GLU 13 H GLU 13 -3.556 -11.737 0.181
93 HA GLU 13 HA GLU 13 -2.326 -10.146 2.134
94 HB2 GLU 13 2HB GLU 13 -1.064 -11.626 0.600
95 HB3 GLU 13 3HB GLU 13 -1.429 -10.557 -0.753
96 HG2 GLU 13 2HG GLU 13 -0.164 -8.742 0.324
97 HG3 GLU 13 3HG GLU 13 0.149 -9.768 1.718
98 H ALA 14 H ALA 14 -3.729 -9.291 -0.996
99 HA ALA 14 HA ALA 14 -3.124 -6.558 -1.071
100 HB1 ALA 14 3HB ALA 14 -5.596 -7.974 -2.146
101 HB2 ALA 14 1HB ALA 14 -4.049 -7.810 -2.979
102 HB3 ALA 14 2HB ALA 14 -5.019 -6.377 -2.640
103 H GLU 15 H GLU 15 -5.920 -8.253 0.367
104 HA GLU 15 HA GLU 15 -7.279 -6.044 1.429
105 HB2 GLU 15 2HB GLU 15 -7.190 -8.975 2.199
106 HB3 GLU 15 3HB GLU 15 -8.182 -7.834 3.100
107 HG2 GLU 15 2HG GLU 15 -8.429 -8.425 0.137
108 HG3 GLU 15 3HG GLU 15 -9.474 -9.057 1.409
109 H LYS 16 H LYS 16 -4.611 -7.951 2.800
110 HA LYS 16 HA LYS 16 -4.564 -6.821 5.394
111 HB2 LYS 16 2HB LYS 16 -2.224 -7.902 3.771
112 HB3 LYS 16 3HB LYS 16 -2.222 -7.638 5.512
113 HG2 LYS 16 2HG LYS 16 -3.866 -9.411 5.824
114 HG3 LYS 16 3HG LYS 16 -4.023 -9.607 4.076
115 HD2 LYS 16 2HD LYS 16 -1.554 -10.217 4.011
116 HD3 LYS 16 3HD LYS 16 -1.578 -10.227 5.778
117 HE2 LYS 16 2HE LYS 16 -3.206 -12.040 5.784
118 HE3 LYS 16 3HE LYS 16 -3.348 -11.966 4.027
119 HZ1 LYS 16 3HZ LYS 16 -0.993 -12.615 3.881
120 HZ2 LYS 16 1HZ LYS 16 -1.938 -13.782 4.664
121 HZ3 LYS 16 2HZ LYS 16 -0.935 -12.766 5.565
122 H ILE 17 H ILE 17 -3.051 -5.833 2.322
123 HA ILE 17 HA ILE 17 -1.464 -3.698 3.349
124 HB ILE 17 HB ILE 17 -2.542 -4.103 0.512
125 HG12 ILE 17 2HG1 ILE 17 -1.156 -6.000 1.183
126 HG13 ILE 17 3HG1 ILE 17 -0.265 -5.029 0.020
127 HG21 ILE 17 1HG2 ILE 17 -0.291 -2.278 1.453
128 HG22 ILE 17 2HG2 ILE 17 -1.854 -1.767 0.809
129 HG23 ILE 17 3HG2 ILE 17 -0.705 -2.606 -0.231
130 HD11 ILE 17 3HD1 ILE 17 1.064 -4.071 1.840
131 HD12 ILE 17 1HD1 ILE 17 1.159 -5.829 1.809
132 HD13 ILE 17 2HD1 ILE 17 0.154 -5.030 3.012
133 H ILE 18 H ILE 18 -4.606 -3.731 1.650
134 HA ILE 18 HA ILE 18 -5.254 -1.028 1.703
135 HB ILE 18 HB ILE 18 -7.061 -3.493 1.743
136 HG12 ILE 18 2HG1 ILE 18 -6.134 -1.732 -0.584
137 HG13 ILE 18 3HG1 ILE 18 -5.502 -3.327 -0.208
138 HG21 ILE 18 1HG2 ILE 18 -7.864 -0.637 1.062
139 HG22 ILE 18 2HG2 ILE 18 -8.375 -1.545 2.484
140 HG23 ILE 18 3HG2 ILE 18 -8.886 -2.065 0.881
141 HD11 ILE 18 3HD1 ILE 18 -7.023 -3.447 -2.053
142 HD12 ILE 18 1HD1 ILE 18 -8.296 -2.669 -1.112
143 HD13 ILE 18 2HD1 ILE 18 -7.725 -4.279 -0.666
144 H ARG 19 H ARG 19 -5.763 -3.536 4.150
145 HA ARG 19 HA ARG 19 -7.329 -1.982 5.962
146 HB2 ARG 19 2HB ARG 19 -7.172 -4.539 5.881
147 HB3 ARG 19 3HB ARG 19 -5.597 -4.397 6.658
148 HG2 ARG 19 2HG ARG 19 -6.773 -3.178 8.563
149 HG3 ARG 19 3HG ARG 19 -8.303 -3.615 7.796
150 HD2 ARG 19 2HD ARG 19 -7.842 -5.238 9.518
151 HD3 ARG 19 3HD ARG 19 -7.605 -6.036 7.957
152 HE ARG 19 HE ARG 19 -5.227 -4.876 9.191
153 HH11 ARG 19 1HH1 ARG 19 -7.101 -7.822 8.742
154 HH12 ARG 19 2HH1 ARG 19 -5.778 -8.865 9.153
155 HH21 ARG 19 1HH2 ARG 19 -3.527 -6.238 9.759
156 HH22 ARG 19 2HH2 ARG 19 -3.739 -7.957 9.734
157 H GLU 20 H GLU 20 -3.933 -3.003 6.000
158 HA GLU 20 HA GLU 20 -3.007 -1.769 8.279
159 HB2 GLU 20 2HB GLU 20 -1.742 -3.451 7.057
160 HB3 GLU 20 3HB GLU 20 -1.622 -2.401 5.653
161 HG2 GLU 20 2HG GLU 20 0.507 -2.440 6.716
162 HG3 GLU 20 3HG GLU 20 -0.190 -0.850 6.967
163 H ILE 21 H ILE 21 -3.235 -0.423 4.988
164 HA ILE 21 HA ILE 21 -1.931 2.039 5.642
165 HB ILE 21 HB ILE 21 -3.696 1.372 3.245
166 HG12 ILE 21 2HG1 ILE 21 -1.668 -0.040 3.319
167 HG13 ILE 21 3HG1 ILE 21 -1.569 1.107 1.994
168 HG21 ILE 21 1HG2 ILE 21 -1.838 3.747 3.665
169 HG22 ILE 21 2HG2 ILE 21 -3.600 3.803 3.566
170 HG23 ILE 21 3HG2 ILE 21 -2.649 3.345 2.154
171 HD11 ILE 21 3HD1 ILE 21 0.574 0.849 3.090
172 HD12 ILE 21 1HD1 ILE 21 -0.118 1.322 4.642
173 HD13 ILE 21 2HD1 ILE 21 -0.021 2.490 3.322
174 H ARG 22 H ARG 22 -5.394 1.043 5.356
175 HA ARG 22 HA ARG 22 -6.266 3.799 5.718
176 HB2 ARG 22 2HB ARG 22 -7.878 1.255 5.338
177 HB3 ARG 22 3HB ARG 22 -8.600 2.851 5.558
178 HG2 ARG 22 2HG ARG 22 -7.183 3.611 3.552
179 HG3 ARG 22 3HG ARG 22 -6.859 1.900 3.271
180 HD2 ARG 22 2HD ARG 22 -9.604 3.188 3.315
181 HD3 ARG 22 3HD ARG 22 -8.693 2.765 1.866
182 HE ARG 22 HE ARG 22 -8.963 0.444 3.401
183 HH11 ARG 22 1HH1 ARG 22 -11.077 2.637 1.618
184 HH12 ARG 22 2HH1 ARG 22 -12.251 1.412 1.269
185 HH21 ARG 22 1HH2 ARG 22 -10.510 -1.140 2.916
186 HH22 ARG 22 2HH2 ARG 22 -11.929 -0.728 2.004
187 H GLU 23 H GLU 23 -5.576 1.263 7.923
188 HA GLU 23 HA GLU 23 -7.306 2.076 10.065
189 HB2 GLU 23 2HB GLU 23 -4.679 0.523 10.037
190 HB3 GLU 23 3HB GLU 23 -5.566 0.854 11.522
191 HG2 GLU 23 2HG GLU 23 -7.507 -0.404 10.656
192 HG3 GLU 23 3HG GLU 23 -6.641 -0.723 9.158
193 H GLN 24 H GLN 24 -4.098 3.026 8.971
194 HA GLN 24 HA GLN 24 -3.758 4.990 11.144
195 HB2 GLN 24 2HB GLN 24 -1.897 3.934 8.989
196 HB3 GLN 24 3HB GLN 24 -1.491 5.376 9.911
197 HG2 GLN 24 2HG GLN 24 -0.361 3.513 10.893
198 HG3 GLN 24 3HG GLN 24 -1.614 4.031 12.006
199 HE21 GLN 24 1HE2 GLN 24 -0.666 1.549 9.725
200 HE22 GLN 24 2HE2 GLN 24 -1.733 0.324 10.306
201 H TRP 25 H TRP 25 -4.212 4.824 7.653
202 HA TRP 25 HA TRP 25 -4.546 7.757 7.475
203 HB2 TRP 25 2HB TRP 25 -3.315 5.951 5.327
204 HB3 TRP 25 3HB TRP 25 -3.515 7.700 5.238
205 HD1 TRP 25 HD1 TRP 25 -1.947 9.148 7.055
206 HE1 TRP 25 HE1 TRP 25 0.424 8.653 7.901
207 HE3 TRP 25 HE3 TRP 25 -1.661 4.171 5.885
208 HZ2 TRP 25 HZ2 TRP 25 2.188 6.485 8.055
209 HZ3 TRP 25 HZ3 TRP 25 0.413 2.953 6.420
210 HH2 TRP 25 HH2 TRP 25 2.298 4.088 7.484
211 HA PRO 26 HA PRO 26 -8.408 5.527 6.102
212 HB2 PRO 26 2HB PRO 26 -10.234 7.060 7.411
213 HB3 PRO 26 3HB PRO 26 -9.280 5.817 8.247
214 HG2 PRO 26 2HG PRO 26 -8.847 8.784 8.177
215 HG3 PRO 26 3HG PRO 26 -8.753 7.664 9.556
216 HD2 PRO 26 2HD PRO 26 -6.540 8.554 8.186
217 HD3 PRO 26 3HD PRO 26 -6.603 7.000 9.043
218 H LYS 27 H LYS 27 -7.269 8.743 5.623
219 HA LYS 27 HA LYS 27 -9.290 9.255 3.521
220 HB2 LYS 27 2HB LYS 27 -7.430 11.218 4.937
221 HB3 LYS 27 3HB LYS 27 -8.607 11.639 3.698
222 HG2 LYS 27 2HG LYS 27 -9.236 10.517 6.450
223 HG3 LYS 27 3HG LYS 27 -9.456 12.192 5.931
224 HD2 LYS 27 2HD LYS 27 -11.161 11.494 4.304
225 HD3 LYS 27 3HD LYS 27 -10.897 9.797 4.717
226 HE2 LYS 27 2HE LYS 27 -12.924 10.656 5.793
227 HE3 LYS 27 3HE LYS 27 -11.718 10.218 7.001
228 HZ1 LYS 27 3HZ LYS 27 -11.176 12.520 7.288
229 HZ2 LYS 27 1HZ LYS 27 -12.843 12.330 7.467
230 HZ3 LYS 27 2HZ LYS 27 -12.215 12.986 6.044
231 H ALA 28 H ALA 28 -6.124 8.135 3.863
232 HA ALA 28 HA ALA 28 -4.964 8.948 1.432
233 HB1 ALA 28 3HB ALA 28 -4.764 6.229 2.795
234 HB2 ALA 28 1HB ALA 28 -3.735 7.625 3.117
235 HB3 ALA 28 2HB ALA 28 -3.673 6.833 1.542
236 H THR 29 H THR 29 -5.327 8.339 -0.701
237 HA THR 29 HA THR 29 -7.812 6.969 -1.303
238 HB THR 29 HB THR 29 -5.679 7.964 -3.243
239 HG1 THR 29 HG1 THR 29 -6.449 9.692 -1.990
240 HG21 THR 29 3HG2 THR 29 -7.290 6.406 -4.284
241 HG22 THR 29 1HG2 THR 29 -7.530 8.052 -4.878
242 HG23 THR 29 2HG2 THR 29 -8.631 7.380 -3.674
243 H VAL 30 H VAL 30 -7.678 4.815 -0.854
244 HA VAL 30 HA VAL 30 -5.534 3.202 -2.108
245 HB VAL 30 HB VAL 30 -7.491 2.348 0.087
246 HG11 VAL 30 1HG1 VAL 30 -5.066 0.900 -1.065
247 HG12 VAL 30 2HG1 VAL 30 -6.756 0.468 -1.335
248 HG13 VAL 30 3HG1 VAL 30 -6.064 0.338 0.280
249 HG21 VAL 30 3HG2 VAL 30 -5.880 4.021 0.925
250 HG22 VAL 30 1HG2 VAL 30 -4.536 3.051 0.317
251 HG23 VAL 30 2HG2 VAL 30 -5.556 2.432 1.619
252 H THR 31 H THR 31 -6.173 2.759 -4.033
253 HA THR 31 HA THR 31 -8.916 1.875 -4.687
254 HB THR 31 HB THR 31 -6.761 3.127 -6.469
255 HG1 THR 31 HG1 THR 31 -8.190 4.349 -4.694
256 HG21 THR 31 3HG2 THR 31 -8.387 1.698 -7.728
257 HG22 THR 31 1HG2 THR 31 -8.504 3.407 -8.151
258 HG23 THR 31 2HG2 THR 31 -9.709 2.679 -7.089
259 H ARG 32 H ARG 32 -9.094 -0.132 -5.732
260 HA ARG 32 HA ARG 32 -6.660 -1.779 -5.957
261 HB2 ARG 32 2HB ARG 32 -8.154 -3.708 -6.082
262 HB3 ARG 32 3HB ARG 32 -8.573 -2.725 -4.685
263 HG2 ARG 32 2HG ARG 32 -10.497 -1.792 -5.879
264 HG3 ARG 32 3HG ARG 32 -10.065 -2.699 -7.328
265 HD2 ARG 32 2HD ARG 32 -10.410 -4.821 -6.035
266 HD3 ARG 32 3HD ARG 32 -10.977 -3.847 -4.667
267 HE ARG 32 HE ARG 32 -12.515 -2.990 -6.741
268 HH11 ARG 32 1HH1 ARG 32 -11.955 -6.184 -5.378
269 HH12 ARG 32 2HH1 ARG 32 -13.511 -6.778 -5.853
270 HH21 ARG 32 1HH2 ARG 32 -14.496 -3.801 -7.436
271 HH22 ARG 32 2HH2 ARG 32 -14.957 -5.422 -7.029
272 H THR 33 H THR 33 -5.923 -2.521 -7.866
273 HA THR 33 HA THR 33 -7.426 -2.110 -10.388
274 HB THR 33 HB THR 33 -5.163 -1.578 -11.480
275 HG1 THR 33 HG1 THR 33 -4.169 -2.238 -9.169
276 HG21 THR 33 3HG2 THR 33 -6.047 0.457 -9.391
277 HG22 THR 33 1HG2 THR 33 -6.754 0.272 -11.001
278 HG23 THR 33 2HG2 THR 33 -5.081 0.799 -10.825
279 H ASN 34 H ASN 34 -7.535 -4.244 -11.440
280 HA ASN 34 HA ASN 34 -7.054 -6.387 -9.819
281 HB2 ASN 34 2HB ASN 34 -7.595 -7.804 -11.798
282 HB3 ASN 34 3HB ASN 34 -8.706 -6.466 -11.588
283 HD21 ASN 34 1HD2 ASN 34 -7.991 -8.098 -13.971
284 HD22 ASN 34 2HD2 ASN 34 -7.534 -6.960 -15.189
285 H GLY 35 H GLY 35 -5.152 -6.989 -9.048
286 HA2 GLY 35 2HA GLY 35 -3.357 -8.628 -9.510
287 HA3 GLY 35 3HA GLY 35 -2.892 -7.625 -10.878
288 H ASP 36 H ASP 36 -3.371 -5.122 -9.433
289 HA ASP 36 HA ASP 36 -1.007 -5.089 -7.646
290 HB2 ASP 36 2HB ASP 36 -1.766 -2.974 -9.713
291 HB3 ASP 36 3HB ASP 36 -0.356 -2.930 -8.656
292 H ILE 37 H ILE 37 -0.895 -3.134 -6.274
293 HA ILE 37 HA ILE 37 -3.515 -2.087 -5.374
294 HB ILE 37 HB ILE 37 -0.735 -1.804 -4.112
295 HG12 ILE 37 2HG1 ILE 37 -1.571 -4.128 -3.983
296 HG13 ILE 37 3HG1 ILE 37 -1.531 -3.396 -2.385
297 HG21 ILE 37 1HG2 ILE 37 -1.874 -0.921 -2.095
298 HG22 ILE 37 2HG2 ILE 37 -3.420 -0.952 -2.946
299 HG23 ILE 37 3HG2 ILE 37 -2.135 0.124 -3.494
300 HD11 ILE 37 3HD1 ILE 37 -3.975 -3.039 -2.517
301 HD12 ILE 37 1HD1 ILE 37 -3.520 -4.738 -2.653
302 HD13 ILE 37 2HD1 ILE 37 -3.985 -3.834 -4.093
303 H LYS 38 H LYS 38 -3.899 0.173 -5.300
304 HA LYS 38 HA LYS 38 -2.033 1.981 -6.737
305 HB2 LYS 38 2HB LYS 38 -3.930 1.328 -8.210
306 HB3 LYS 38 3HB LYS 38 -5.084 1.790 -6.969
307 HG2 LYS 38 2HG LYS 38 -5.097 3.502 -8.616
308 HG3 LYS 38 3HG LYS 38 -4.269 4.166 -7.206
309 HD2 LYS 38 2HD LYS 38 -2.085 3.766 -8.297
310 HD3 LYS 38 3HD LYS 38 -2.907 3.073 -9.703
311 HE2 LYS 38 2HE LYS 38 -3.253 5.924 -8.714
312 HE3 LYS 38 3HE LYS 38 -2.212 5.439 -10.049
313 HZ1 LYS 38 3HZ LYS 38 -4.315 6.281 -10.846
314 HZ2 LYS 38 1HZ LYS 38 -5.165 5.132 -9.947
315 HZ3 LYS 38 2HZ LYS 38 -4.175 4.643 -11.225
316 H LEU 39 H LEU 39 -1.317 3.341 -5.125
317 HA LEU 39 HA LEU 39 -3.232 4.232 -3.026
318 HB2 LEU 39 2HB LEU 39 -1.863 2.527 -2.009
319 HB3 LEU 39 3HB LEU 39 -0.391 3.205 -2.679
320 HG LEU 39 HG LEU 39 -0.551 5.145 -1.150
321 HD11 LEU 39 1HD1 LEU 39 -2.223 5.275 0.639
322 HD12 LEU 39 2HD1 LEU 39 -3.047 3.855 -0.008
323 HD13 LEU 39 3HD1 LEU 39 -2.991 5.347 -0.949
324 HD21 LEU 39 3HD2 LEU 39 -0.800 2.488 0.303
325 HD22 LEU 39 1HD2 LEU 39 -0.102 3.968 0.969
326 HD23 LEU 39 2HD2 LEU 39 0.676 3.165 -0.391
327 H ASP 40 H ASP 40 -3.233 6.360 -2.628
328 HA ASP 40 HA ASP 40 -1.153 8.070 -3.863
329 HB2 ASP 40 2HB ASP 40 -3.397 8.517 -4.765
330 HB3 ASP 40 3HB ASP 40 -4.041 8.725 -3.141
331 H ALA 41 H ALA 41 0.326 8.371 -2.302
332 HA ALA 41 HA ALA 41 -0.386 9.111 0.434
333 HB1 ALA 41 3HB ALA 41 1.638 7.783 0.024
334 HB2 ALA 41 1HB ALA 41 2.053 9.333 0.758
335 HB3 ALA 41 2HB ALA 41 2.307 9.075 -0.970
336 H GLN 42 H GLN 42 -0.087 11.166 1.334
337 HA GLN 42 HA GLN 42 -0.684 13.436 -0.244
338 HB2 GLN 42 2HB GLN 42 -1.198 13.072 2.230
339 HB3 GLN 42 3HB GLN 42 0.488 13.398 2.583
340 HG2 GLN 42 2HG GLN 42 -1.290 15.421 1.198
341 HG3 GLN 42 3HG GLN 42 -1.207 15.292 2.950
342 HE21 GLN 42 1HE2 GLN 42 0.788 15.823 3.995
343 HE22 GLN 42 2HE2 GLN 42 1.926 16.875 3.233
344 H THR 43 H THR 43 2.314 12.450 1.393
345 HA THR 43 HA THR 43 3.956 13.928 -0.554
346 HB THR 43 HB THR 43 3.838 15.472 1.323
347 HG1 THR 43 HG1 THR 43 5.906 15.352 0.487
348 HG21 THR 43 3HG2 THR 43 4.729 13.209 3.142
349 HG22 THR 43 1HG2 THR 43 3.105 13.900 3.091
350 HG23 THR 43 2HG2 THR 43 4.469 14.885 3.623
351 H GLU 44 H GLU 44 6.339 13.217 -0.341
352 HA GLU 44 HA GLU 44 6.537 10.388 -0.440
353 HB2 GLU 44 2HB GLU 44 8.677 12.542 -0.386
354 HB3 GLU 44 3HB GLU 44 9.087 10.828 -0.395
355 HG2 GLU 44 2HG GLU 44 7.719 10.639 -2.548
356 HG3 GLU 44 3HG GLU 44 7.678 12.404 -2.561
357 H LYS 45 H LYS 45 7.145 12.725 2.146
358 HA LYS 45 HA LYS 45 8.449 10.929 3.936
359 HB2 LYS 45 2HB LYS 45 6.887 13.484 4.503
360 HB3 LYS 45 3HB LYS 45 7.703 12.557 5.757
361 HG2 LYS 45 2HG LYS 45 9.250 14.238 5.274
362 HG3 LYS 45 3HG LYS 45 9.850 12.869 4.343
363 HD2 LYS 45 2HD LYS 45 10.027 14.782 2.921
364 HD3 LYS 45 3HD LYS 45 8.654 13.849 2.320
365 HE2 LYS 45 2HE LYS 45 8.087 16.218 2.331
366 HE3 LYS 45 3HE LYS 45 7.116 15.385 3.544
367 HZ1 LYS 45 3HZ LYS 45 8.552 16.214 5.261
368 HZ2 LYS 45 1HZ LYS 45 8.037 17.516 4.314
369 HZ3 LYS 45 2HZ LYS 45 9.603 16.902 4.134
370 H GLU 46 H GLU 46 5.099 11.491 3.115
371 HA GLU 46 HA GLU 46 3.988 9.946 5.298
372 HB2 GLU 46 2HB GLU 46 2.799 11.872 4.031
373 HB3 GLU 46 3HB GLU 46 2.609 10.752 2.690
374 HG2 GLU 46 2HG GLU 46 0.556 10.758 3.889
375 HG3 GLU 46 3HG GLU 46 1.343 9.224 4.250
376 H ALA 47 H ALA 47 4.929 9.561 1.931
377 HA ALA 47 HA ALA 47 3.940 6.938 1.489
378 HB1 ALA 47 3HB ALA 47 4.458 8.487 -0.349
379 HB2 ALA 47 1HB ALA 47 5.337 6.968 -0.530
380 HB3 ALA 47 2HB ALA 47 6.174 8.412 0.052
381 H GLU 48 H GLU 48 6.942 8.174 2.938
382 HA GLU 48 HA GLU 48 8.543 5.856 2.789
383 HB2 GLU 48 2HB GLU 48 8.471 7.896 5.064
384 HB3 GLU 48 3HB GLU 48 9.738 6.704 4.809
385 HG2 GLU 48 2HG GLU 48 9.099 9.097 3.089
386 HG3 GLU 48 3HG GLU 48 10.522 8.850 4.091
387 H LYS 49 H LYS 49 6.036 6.860 4.974
388 HA LYS 49 HA LYS 49 6.329 4.727 6.898
389 HB2 LYS 49 2HB LYS 49 4.105 6.783 6.484
390 HB3 LYS 49 3HB LYS 49 4.341 5.794 7.924
391 HG2 LYS 49 2HG LYS 49 6.323 6.978 8.547
392 HG3 LYS 49 3HG LYS 49 6.455 7.742 6.961
393 HD2 LYS 49 2HD LYS 49 5.653 9.349 8.625
394 HD3 LYS 49 3HD LYS 49 4.425 9.060 7.401
395 HE2 LYS 49 2HE LYS 49 3.476 9.193 9.677
396 HE3 LYS 49 3HE LYS 49 3.198 7.621 8.941
397 HZ1 LYS 49 3HZ LYS 49 5.006 6.718 10.241
398 HZ2 LYS 49 1HZ LYS 49 3.879 7.458 11.261
399 HZ3 LYS 49 2HZ LYS 49 5.335 8.236 10.901
400 H MET 50 H MET 50 3.855 5.704 4.592
401 HA MET 50 HA MET 50 2.145 3.554 4.553
402 HB2 MET 50 2HB MET 50 2.982 5.261 2.184
403 HB3 MET 50 3HB MET 50 1.690 4.070 2.087
404 HG2 MET 50 2HG MET 50 0.501 5.278 3.923
405 HG3 MET 50 3HG MET 50 1.759 6.516 3.864
406 HE1 MET 50 3HE MET 50 -1.351 8.277 2.239
407 HE2 MET 50 1HE MET 50 -0.175 8.317 3.551
408 HE3 MET 50 2HE MET 50 -1.417 7.066 3.520
409 H GLU 51 H GLU 51 4.979 3.732 2.315
410 HA GLU 51 HA GLU 51 4.782 1.082 1.379
411 HB2 GLU 51 2HB GLU 51 6.950 1.424 0.368
412 HB3 GLU 51 3HB GLU 51 6.053 2.928 0.264
413 HG2 GLU 51 2HG GLU 51 8.034 3.830 0.941
414 HG3 GLU 51 3HG GLU 51 7.408 3.440 2.528
415 H LYS 52 H LYS 52 6.254 2.392 4.257
416 HA LYS 52 HA LYS 52 7.778 0.067 4.988
417 HB2 LYS 52 2HB LYS 52 8.173 2.440 5.779
418 HB3 LYS 52 3HB LYS 52 6.748 2.289 6.797
419 HG2 LYS 52 2HG LYS 52 8.753 1.975 8.113
420 HG3 LYS 52 3HG LYS 52 7.855 0.459 8.047
421 HD2 LYS 52 2HD LYS 52 10.273 0.052 7.802
422 HD3 LYS 52 3HD LYS 52 9.417 -0.398 6.328
423 HE2 LYS 52 2HE LYS 52 11.495 0.785 5.778
424 HE3 LYS 52 3HE LYS 52 10.100 1.743 5.284
425 HZ1 LYS 52 3HZ LYS 52 11.779 3.106 6.348
426 HZ2 LYS 52 1HZ LYS 52 11.692 2.171 7.757
427 HZ3 LYS 52 2HZ LYS 52 10.362 3.088 7.266
428 H ALA 53 H ALA 53 4.549 1.243 5.675
429 HA ALA 53 HA ALA 53 3.710 -0.682 7.544
430 HB1 ALA 53 3HB ALA 53 2.565 1.476 7.182
431 HB2 ALA 53 1HB ALA 53 1.449 0.121 7.037
432 HB3 ALA 53 2HB ALA 53 2.040 0.937 5.587
433 H VAL 54 H VAL 54 3.746 -0.601 4.028
434 HA VAL 54 HA VAL 54 2.327 -2.980 3.460
435 HB VAL 54 HB VAL 54 4.617 -1.639 1.952
436 HG11 VAL 54 1HG1 VAL 54 2.702 -3.757 0.910
437 HG12 VAL 54 2HG1 VAL 54 4.421 -3.989 1.238
438 HG13 VAL 54 3HG1 VAL 54 3.908 -2.887 -0.039
439 HG21 VAL 54 3HG2 VAL 54 1.605 -1.454 1.531
440 HG22 VAL 54 1HG2 VAL 54 2.839 -0.670 0.540
441 HG23 VAL 54 2HG2 VAL 54 2.634 -0.200 2.227
442 H LYS 55 H LYS 55 5.799 -2.396 4.104
443 HA LYS 55 HA LYS 55 6.804 -4.997 3.840
444 HB2 LYS 55 2HB LYS 55 7.707 -2.743 5.666
445 HB3 LYS 55 3HB LYS 55 8.619 -4.236 5.461
446 HG2 LYS 55 2HG LYS 55 8.985 -3.744 3.107
447 HG3 LYS 55 3HG LYS 55 7.977 -2.293 3.218
448 HD2 LYS 55 2HD LYS 55 9.554 -1.248 4.749
449 HD3 LYS 55 3HD LYS 55 10.515 -2.728 4.848
450 HE2 LYS 55 2HE LYS 55 11.543 -1.013 3.388
451 HE3 LYS 55 3HE LYS 55 11.174 -2.504 2.521
452 HZ1 LYS 55 3HZ LYS 55 10.590 -0.431 1.323
453 HZ2 LYS 55 1HZ LYS 55 9.418 -0.113 2.495
454 HZ3 LYS 55 2HZ LYS 55 9.295 -1.492 1.522
455 H LYS 56 H LYS 56 5.070 -3.531 6.543
456 HA LYS 56 HA LYS 56 5.660 -5.371 8.602
457 HB2 LYS 56 2HB LYS 56 3.140 -3.701 8.156
458 HB3 LYS 56 3HB LYS 56 3.504 -4.562 9.648
459 HG2 LYS 56 2HG LYS 56 5.501 -3.156 9.986
460 HG3 LYS 56 3HG LYS 56 5.166 -2.315 8.472
461 HD2 LYS 56 2HD LYS 56 4.416 -0.911 10.286
462 HD3 LYS 56 3HD LYS 56 2.990 -1.511 9.445
463 HE2 LYS 56 2HE LYS 56 4.061 -2.716 12.025
464 HE3 LYS 56 3HE LYS 56 2.820 -1.468 11.968
465 HZ1 LYS 56 3HZ LYS 56 1.741 -3.535 12.193
466 HZ2 LYS 56 1HZ LYS 56 2.623 -4.241 10.936
467 HZ3 LYS 56 2HZ LYS 56 1.481 -3.044 10.599
468 H VAL 57 H VAL 57 3.482 -5.559 5.905
469 HA VAL 57 HA VAL 57 2.145 -8.015 6.779
470 HB VAL 57 HB VAL 57 1.865 -6.239 4.310
471 HG11 VAL 57 1HG1 VAL 57 0.228 -8.707 4.996
472 HG12 VAL 57 2HG1 VAL 57 1.322 -8.518 3.623
473 HG13 VAL 57 3HG1 VAL 57 -0.148 -7.551 3.713
474 HG21 VAL 57 3HG2 VAL 57 -0.000 -6.643 6.683
475 HG22 VAL 57 1HG2 VAL 57 -0.318 -5.608 5.284
476 HG23 VAL 57 2HG2 VAL 57 1.008 -5.226 6.383
477 H LYS 58 H LYS 58 4.814 -7.036 4.739
478 HA LYS 58 HA LYS 58 5.269 -9.679 3.687
479 HB2 LYS 58 2HB LYS 58 5.146 -8.878 1.226
480 HB3 LYS 58 3HB LYS 58 3.631 -9.212 2.051
481 HG2 LYS 58 2HG LYS 58 3.418 -6.732 2.493
482 HG3 LYS 58 3HG LYS 58 4.816 -6.487 1.454
483 HD2 LYS 58 2HD LYS 58 2.274 -7.869 0.520
484 HD3 LYS 58 3HD LYS 58 2.523 -6.132 0.387
485 HE2 LYS 58 2HE LYS 58 3.034 -7.070 -1.740
486 HE3 LYS 58 3HE LYS 58 4.575 -6.633 -1.008
487 HZ1 LYS 58 3HZ LYS 58 4.983 -8.916 -0.496
488 HZ2 LYS 58 1HZ LYS 58 4.543 -8.821 -2.124
489 HZ3 LYS 58 2HZ LYS 58 3.431 -9.370 -0.979
490 HA PRO 59 HA PRO 59 9.278 -7.597 4.523
491 HB2 PRO 59 2HB PRO 59 10.311 -10.339 3.777
492 HB3 PRO 59 3HB PRO 59 10.654 -9.345 5.213
493 HG2 PRO 59 2HG PRO 59 9.057 -11.448 5.419
494 HG3 PRO 59 3HG PRO 59 8.671 -9.940 6.284
495 HD2 PRO 59 2HD PRO 59 7.467 -11.008 3.728
496 HD3 PRO 59 3HD PRO 59 6.667 -10.244 5.121
497 H ASN 60 H ASN 60 8.737 -9.689 1.696
498 HA ASN 60 HA ASN 60 10.870 -8.361 0.153
499 HB2 ASN 60 2HB ASN 60 9.197 -10.845 -0.428
500 HB3 ASN 60 3HB ASN 60 10.432 -10.206 -1.511
501 HD21 ASN 60 1HD2 ASN 60 9.872 -11.674 1.612
502 HD22 ASN 60 2HD2 ASN 60 11.495 -12.200 1.868
503 H ALA 61 H ALA 61 8.223 -7.123 0.852
504 HA ALA 61 HA ALA 61 6.417 -6.731 -1.108
505 HB1 ALA 61 3HB ALA 61 6.119 -4.441 -0.204
506 HB2 ALA 61 1HB ALA 61 7.683 -4.561 0.612
507 HB3 ALA 61 2HB ALA 61 6.355 -5.620 1.084
508 H THR 62 H THR 62 6.667 -6.396 -3.249
509 HA THR 62 HA THR 62 8.863 -4.774 -4.308
510 HB THR 62 HB THR 62 6.611 -6.124 -5.871
511 HG1 THR 62 HG1 THR 62 7.775 -7.712 -4.720
512 HG21 THR 62 3HG2 THR 62 8.201 -6.008 -7.758
513 HG22 THR 62 1HG2 THR 62 9.384 -5.194 -6.731
514 HG23 THR 62 2HG2 THR 62 7.859 -4.396 -7.131
515 H ILE 63 H ILE 63 8.438 -2.697 -3.822
516 HA ILE 63 HA ILE 63 5.734 -1.590 -4.244
517 HB ILE 63 HB ILE 63 8.059 -0.493 -2.579
518 HG12 ILE 63 2HG1 ILE 63 5.505 -1.844 -1.569
519 HG13 ILE 63 3HG1 ILE 63 7.045 -2.680 -1.730
520 HG21 ILE 63 1HG2 ILE 63 5.150 0.422 -2.717
521 HG22 ILE 63 2HG2 ILE 63 6.536 1.288 -3.381
522 HG23 ILE 63 3HG2 ILE 63 6.383 1.077 -1.636
523 HD11 ILE 63 3HD1 ILE 63 6.439 -0.369 0.096
524 HD12 ILE 63 1HD1 ILE 63 8.026 -1.121 -0.099
525 HD13 ILE 63 2HD1 ILE 63 6.677 -2.058 0.541
526 H ARG 64 H ARG 64 5.553 -0.553 -6.063
527 HA ARG 64 HA ARG 64 7.824 0.591 -7.521
528 HB2 ARG 64 2HB ARG 64 4.868 0.738 -8.280
529 HB3 ARG 64 3HB ARG 64 6.263 0.941 -9.337
530 HG2 ARG 64 2HG ARG 64 6.788 -1.457 -9.126
531 HG3 ARG 64 3HG ARG 64 5.427 -1.664 -8.018
532 HD2 ARG 64 2HD ARG 64 3.964 -0.728 -9.943
533 HD3 ARG 64 3HD ARG 64 5.365 -1.030 -10.974
534 HE ARG 64 HE ARG 64 5.080 -3.430 -9.876
535 HH11 ARG 64 1HH1 ARG 64 2.534 -1.298 -11.093
536 HH12 ARG 64 2HH1 ARG 64 1.495 -2.618 -11.534
537 HH21 ARG 64 1HH2 ARG 64 3.726 -5.121 -10.535
538 HH22 ARG 64 2HH2 ARG 64 2.166 -4.776 -11.216
539 H LYS 65 H LYS 65 8.456 2.371 -6.362
540 HA LYS 65 HA LYS 65 6.414 4.132 -5.157
541 HB2 LYS 65 2HB LYS 65 8.249 3.067 -3.760
542 HB3 LYS 65 3HB LYS 65 9.425 4.028 -4.646
543 HG2 LYS 65 2HG LYS 65 8.555 6.077 -3.718
544 HG3 LYS 65 3HG LYS 65 7.163 5.237 -3.038
545 HD2 LYS 65 2HD LYS 65 8.701 3.949 -1.539
546 HD3 LYS 65 3HD LYS 65 10.062 4.878 -2.180
547 HE2 LYS 65 2HE LYS 65 7.684 6.029 -0.679
548 HE3 LYS 65 3HE LYS 65 9.292 5.760 -0.011
549 HZ1 LYS 65 3HZ LYS 65 8.583 7.656 -2.188
550 HZ2 LYS 65 1HZ LYS 65 10.158 7.349 -1.653
551 HZ3 LYS 65 2HZ LYS 65 9.036 8.046 -0.603
552 H THR 66 H THR 66 5.795 5.519 -6.623
553 HA THR 66 HA THR 66 7.682 7.238 -8.079
554 HB THR 66 HB THR 66 7.194 5.449 -9.654
555 HG1 THR 66 HG1 THR 66 7.181 7.343 -10.744
556 HG21 THR 66 3HG2 THR 66 4.932 4.812 -10.364
557 HG22 THR 66 1HG2 THR 66 4.229 5.917 -9.181
558 HG23 THR 66 2HG2 THR 66 5.152 4.512 -8.640
559 H GLY 67 H GLY 67 5.993 8.868 -9.405
560 HA2 GLY 67 2HA GLY 67 3.547 9.501 -8.046
561 HA3 GLY 67 3HA GLY 67 4.849 10.602 -7.595
562 H GLY 68 H GLY 68 4.851 9.198 -10.759
563 HA2 GLY 68 2HA GLY 68 4.378 11.765 -12.049
564 HA3 GLY 68 3HA GLY 68 4.856 10.258 -12.824
565 H SER 69 H SER 69 2.129 11.421 -10.870
566 HA SER 69 HA SER 69 0.207 9.862 -12.399
567 HB2 SER 69 2HB SER 69 -0.203 11.699 -9.994
568 HB3 SER 69 3HB SER 69 -1.361 10.523 -10.623
569 HG SER 69 HG SER 69 0.592 9.013 -10.203
570 H LEU 70 H LEU 70 0.458 10.998 -14.395
571 HA LEU 70 HA LEU 70 -0.899 13.620 -14.536
572 HB2 LEU 70 2HB LEU 70 1.624 13.893 -14.664
573 HB3 LEU 70 3HB LEU 70 1.608 12.907 -16.117
574 HG LEU 70 HG LEU 70 0.134 14.625 -17.218
575 HD11 LEU 70 1HD1 LEU 70 0.672 16.259 -14.714
576 HD12 LEU 70 2HD1 LEU 70 -0.892 15.638 -15.250
577 HD13 LEU 70 3HD1 LEU 70 -0.063 16.868 -16.198
578 HD21 LEU 70 3HD2 LEU 70 2.551 14.637 -17.625
579 HD22 LEU 70 1HD2 LEU 70 2.805 15.669 -16.212
580 HD23 LEU 70 2HD2 LEU 70 1.912 16.278 -17.609
581 H GLU 71 H GLU 71 -2.172 13.880 -16.324
582 HA GLU 71 HA GLU 71 -3.147 11.563 -17.684
583 HB2 GLU 71 2HB GLU 71 -4.698 13.141 -18.779
584 HB3 GLU 71 3HB GLU 71 -4.637 13.418 -17.041
585 HG2 GLU 71 2HG GLU 71 -3.257 15.386 -17.323
586 HG3 GLU 71 3HG GLU 71 -3.052 15.068 -19.044
587 H HIS 72 H HIS 72 -3.381 11.424 -20.056
588 HA HIS 72 HA HIS 72 -1.586 13.041 -21.707
589 HB2 HIS 72 2HB HIS 72 -0.443 11.241 -22.746
590 HB3 HIS 72 3HB HIS 72 -0.408 10.836 -21.038
591 HD1 HIS 72 HD1 HIS 72 -0.532 9.103 -23.955
592 HD2 HIS 72 HD2 HIS 72 -3.116 9.098 -20.703
593 HE1 HIS 72 HE1 HIS 72 -1.746 6.908 -24.063
594 HE2 HIS 72 HE2 HIS 72 -3.155 6.860 -21.985
595 H HIS 73 H HIS 73 -4.662 11.940 -21.168
596 HA HIS 73 HA HIS 73 -5.461 11.589 -23.914
597 HB2 HIS 73 2HB HIS 73 -7.798 11.632 -23.109
598 HB3 HIS 73 3HB HIS 73 -6.811 10.455 -22.270
599 HD1 HIS 73 HD1 HIS 73 -6.339 13.776 -20.736
600 HD2 HIS 73 HD2 HIS 73 -9.131 10.697 -20.465
601 HE1 HIS 73 HE1 HIS 73 -7.577 14.157 -18.594
602 HE2 HIS 73 HE2 HIS 73 -9.330 12.371 -18.514
603 H HIS 74 H HIS 74 -4.737 13.299 -25.046
604 HA HIS 74 HA HIS 74 -5.435 16.037 -24.379
605 HB2 HIS 74 2HB HIS 74 -3.971 14.831 -26.767
606 HB3 HIS 74 3HB HIS 74 -4.342 16.548 -26.637
607 HD1 HIS 74 HD1 HIS 74 -2.801 17.966 -25.235
608 HD2 HIS 74 HD2 HIS 74 -2.060 13.902 -24.786
609 HE1 HIS 74 HE1 HIS 74 -0.716 17.811 -23.851
610 HE2 HIS 74 HE2 HIS 74 -0.338 15.353 -23.507
611 H HIS 75 H HIS 75 -7.706 15.682 -24.294
612 HA HIS 75 HA HIS 75 -8.923 16.535 -26.821
613 HB2 HIS 75 2HB HIS 75 -9.540 14.127 -26.609
614 HB3 HIS 75 3HB HIS 75 -10.170 14.421 -24.993
615 HD1 HIS 75 HD1 HIS 75 -10.965 15.077 -28.626
616 HD2 HIS 75 HD2 HIS 75 -12.782 15.437 -24.902
617 HE1 HIS 75 HE1 HIS 75 -13.356 15.697 -29.092
618 HE2 HIS 75 HE2 HIS 75 -14.371 16.090 -26.835
619 H HIS 76 H HIS 76 -8.665 18.575 -25.929
620 HA HIS 76 HA HIS 76 -10.398 19.310 -23.627
621 HB2 HIS 76 2HB HIS 76 -7.697 20.560 -24.341
622 HB3 HIS 76 3HB HIS 76 -8.710 20.980 -22.964
623 HD1 HIS 76 HD1 HIS 76 -5.789 19.113 -23.733
624 HD2 HIS 76 HD2 HIS 76 -9.036 18.467 -21.218
625 HE1 HIS 76 HE1 HIS 76 -5.030 17.371 -22.080
626 HE2 HIS 76 HE2 HIS 76 -6.965 17.102 -20.495
627 H HIS 77 H HIS 77 -10.310 22.027 -23.769
628 HA HIS 77 HA HIS 77 -10.576 23.035 -26.451
629 HB2 HIS 77 2HB HIS 77 -13.002 23.780 -26.178
630 HB3 HIS 77 3HB HIS 77 -12.765 22.061 -26.444
631 HD1 HIS 77 HD1 HIS 77 -14.305 24.457 -24.137
632 HD2 HIS 77 HD2 HIS 77 -13.234 20.448 -24.067
633 HE1 HIS 77 HE1 HIS 77 -15.586 23.455 -22.228
634 HE2 HIS 77 HE2 HIS 77 -15.058 21.001 -22.321
Start of MODEL 4
1 H1 MET 1 1H MET 1 -0.302 12.219 -3.425
2 H2 MET 1 2H MET 1 -0.472 13.904 -3.498
3 H3 MET 1 3H MET 1 1.002 13.221 -3.027
4 HA MET 1 HA MET 1 -0.255 12.879 -5.677
5 HB2 MET 1 2HB MET 1 1.462 14.417 -6.557
6 HB3 MET 1 3HB MET 1 0.412 15.188 -5.388
7 HG2 MET 1 2HG MET 1 2.185 15.040 -3.684
8 HG3 MET 1 3HG MET 1 3.247 14.276 -4.874
9 HE1 MET 1 3HE MET 1 4.088 16.942 -3.258
10 HE2 MET 1 1HE MET 1 4.778 17.919 -4.553
11 HE3 MET 1 2HE MET 1 5.130 16.194 -4.470
12 H VAL 2 H VAL 2 1.918 11.656 -3.406
13 HA VAL 2 HA VAL 2 3.932 10.725 -5.297
14 HB VAL 2 HB VAL 2 3.690 10.231 -2.286
15 HG11 VAL 2 1HG1 VAL 2 6.068 9.843 -4.148
16 HG12 VAL 2 2HG1 VAL 2 5.115 8.558 -3.404
17 HG13 VAL 2 3HG1 VAL 2 6.085 9.631 -2.395
18 HG21 VAL 2 3HG2 VAL 2 5.310 12.344 -3.771
19 HG22 VAL 2 1HG2 VAL 2 5.351 12.045 -2.031
20 HG23 VAL 2 2HG2 VAL 2 3.875 12.638 -2.787
21 H ASP 3 H ASP 3 3.625 8.880 -6.389
22 HA ASP 3 HA ASP 3 1.400 7.126 -5.764
23 HB2 ASP 3 2HB ASP 3 1.782 7.699 -8.095
24 HB3 ASP 3 3HB ASP 3 3.444 7.121 -8.020
25 H LEU 4 H LEU 4 1.561 5.445 -4.466
26 HA LEU 4 HA LEU 4 3.995 3.739 -4.478
27 HB2 LEU 4 2HB LEU 4 1.776 3.931 -2.386
28 HB3 LEU 4 3HB LEU 4 3.155 2.844 -2.306
29 HG LEU 4 HG LEU 4 3.358 5.885 -2.208
30 HD11 LEU 4 1HD1 LEU 4 3.530 3.877 0.062
31 HD12 LEU 4 2HD1 LEU 4 2.217 5.023 -0.223
32 HD13 LEU 4 3HD1 LEU 4 3.823 5.614 0.178
33 HD21 LEU 4 3HD2 LEU 4 5.380 4.831 -3.102
34 HD22 LEU 4 1HD2 LEU 4 5.461 3.754 -1.704
35 HD23 LEU 4 2HD2 LEU 4 5.674 5.496 -1.498
36 H LYS 5 H LYS 5 3.590 2.159 -5.970
37 HA LYS 5 HA LYS 5 0.864 0.976 -6.111
38 HB2 LYS 5 2HB LYS 5 1.611 2.346 -8.108
39 HB3 LYS 5 3HB LYS 5 2.924 1.201 -8.368
40 HG2 LYS 5 2HG LYS 5 1.307 -0.604 -8.767
41 HG3 LYS 5 3HG LYS 5 -0.036 0.482 -8.410
42 HD2 LYS 5 2HD LYS 5 1.905 0.810 -10.731
43 HD3 LYS 5 3HD LYS 5 0.303 0.092 -10.846
44 HE2 LYS 5 2HE LYS 5 -0.004 2.286 -11.618
45 HE3 LYS 5 3HE LYS 5 -0.578 2.356 -9.956
46 HZ1 LYS 5 3HZ LYS 5 0.792 4.258 -10.505
47 HZ2 LYS 5 1HZ LYS 5 2.096 3.267 -10.908
48 HZ3 LYS 5 2HZ LYS 5 1.546 3.344 -9.311
49 H ILE 6 H ILE 6 0.896 -1.057 -5.275
50 HA ILE 6 HA ILE 6 3.535 -2.298 -4.774
51 HB ILE 6 HB ILE 6 0.947 -2.507 -3.145
52 HG12 ILE 6 2HG1 ILE 6 2.559 -1.556 -1.288
53 HG13 ILE 6 3HG1 ILE 6 3.577 -1.057 -2.630
54 HG21 ILE 6 1HG2 ILE 6 3.617 -3.885 -2.638
55 HG22 ILE 6 2HG2 ILE 6 2.123 -4.675 -3.151
56 HG23 ILE 6 3HG2 ILE 6 2.218 -3.921 -1.562
57 HD11 ILE 6 3HD1 ILE 6 2.183 0.756 -1.811
58 HD12 ILE 6 1HD1 ILE 6 0.729 -0.184 -2.149
59 HD13 ILE 6 2HD1 ILE 6 1.766 0.347 -3.475
60 H ASP 7 H ASP 7 3.874 -4.065 -5.990
61 HA ASP 7 HA ASP 7 1.856 -5.635 -7.263
62 HB2 ASP 7 2HB ASP 7 4.207 -5.578 -8.088
63 HB3 ASP 7 3HB ASP 7 4.774 -6.294 -6.579
64 H VAL 8 H VAL 8 0.648 -7.265 -6.374
65 HA VAL 8 HA VAL 8 1.352 -8.384 -3.736
66 HB VAL 8 HB VAL 8 -1.113 -8.587 -3.212
67 HG11 VAL 8 1HG1 VAL 8 -1.431 -6.259 -2.476
68 HG12 VAL 8 2HG1 VAL 8 -0.141 -5.723 -3.557
69 HG13 VAL 8 3HG1 VAL 8 0.232 -6.790 -2.199
70 HG21 VAL 8 3HG2 VAL 8 -1.515 -6.700 -5.575
71 HG22 VAL 8 1HG2 VAL 8 -2.760 -7.176 -4.412
72 HG23 VAL 8 2HG2 VAL 8 -2.048 -8.379 -5.486
73 H SER 9 H SER 9 1.412 -10.515 -3.704
74 HA SER 9 HA SER 9 1.148 -12.033 -6.152
75 HB2 SER 9 2HB SER 9 3.123 -12.297 -4.648
76 HB3 SER 9 3HB SER 9 2.069 -12.896 -3.368
77 HG SER 9 HG SER 9 2.320 -14.083 -5.929
78 H ASP 10 H ASP 10 -0.680 -11.476 -3.274
79 HA ASP 10 HA ASP 10 -2.552 -13.688 -3.894
80 HB2 ASP 10 2HB ASP 10 -1.115 -14.335 -1.992
81 HB3 ASP 10 3HB ASP 10 -1.530 -12.860 -1.139
82 H ASP 11 H ASP 11 -4.683 -13.374 -3.023
83 HA ASP 11 HA ASP 11 -5.702 -10.749 -3.667
84 HB2 ASP 11 2HB ASP 11 -6.718 -12.877 -4.505
85 HB3 ASP 11 3HB ASP 11 -7.166 -13.311 -2.862
86 H GLU 12 H GLU 12 -5.902 -12.966 -0.847
87 HA GLU 12 HA GLU 12 -7.250 -11.160 0.890
88 HB2 GLU 12 2HB GLU 12 -7.090 -13.672 1.210
89 HB3 GLU 12 3HB GLU 12 -5.426 -13.448 1.747
90 HG2 GLU 12 2HG GLU 12 -6.326 -11.906 3.560
91 HG3 GLU 12 3HG GLU 12 -7.948 -12.409 3.086
92 H GLU 13 H GLU 13 -3.834 -11.745 0.228
93 HA GLU 13 HA GLU 13 -2.584 -10.141 2.138
94 HB2 GLU 13 2HB GLU 13 -1.323 -11.636 0.717
95 HB3 GLU 13 3HB GLU 13 -1.841 -10.790 -0.739
96 HG2 GLU 13 2HG GLU 13 -0.550 -8.797 -0.014
97 HG3 GLU 13 3HG GLU 13 -0.007 -9.678 1.413
98 H ALA 14 H ALA 14 -3.913 -9.311 -1.047
99 HA ALA 14 HA ALA 14 -3.252 -6.587 -1.149
100 HB1 ALA 14 3HB ALA 14 -5.626 -8.047 -2.355
101 HB2 ALA 14 1HB ALA 14 -4.044 -7.810 -3.098
102 HB3 ALA 14 2HB ALA 14 -5.098 -6.427 -2.809
103 H GLU 15 H GLU 15 -6.136 -8.220 0.210
104 HA GLU 15 HA GLU 15 -7.624 -6.033 1.075
105 HB2 GLU 15 2HB GLU 15 -7.332 -8.745 2.428
106 HB3 GLU 15 3HB GLU 15 -8.628 -7.600 2.739
107 HG2 GLU 15 2HG GLU 15 -8.099 -8.980 0.102
108 HG3 GLU 15 3HG GLU 15 -9.310 -9.474 1.278
109 H LYS 16 H LYS 16 -4.977 -7.739 2.665
110 HA LYS 16 HA LYS 16 -5.002 -6.478 5.178
111 HB2 LYS 16 2HB LYS 16 -2.664 -7.680 3.644
112 HB3 LYS 16 3HB LYS 16 -2.610 -7.231 5.341
113 HG2 LYS 16 2HG LYS 16 -4.459 -9.333 4.200
114 HG3 LYS 16 3HG LYS 16 -2.876 -9.670 4.900
115 HD2 LYS 16 2HD LYS 16 -3.715 -8.603 7.056
116 HD3 LYS 16 3HD LYS 16 -5.325 -8.557 6.322
117 HE2 LYS 16 2HE LYS 16 -3.656 -11.034 6.892
118 HE3 LYS 16 3HE LYS 16 -5.140 -10.545 7.710
119 HZ1 LYS 16 3HZ LYS 16 -5.661 -12.229 6.125
120 HZ2 LYS 16 1HZ LYS 16 -4.873 -11.390 4.883
121 HZ3 LYS 16 2HZ LYS 16 -6.286 -10.767 5.557
122 H ILE 17 H ILE 17 -3.210 -5.720 2.180
123 HA ILE 17 HA ILE 17 -1.564 -3.665 3.198
124 HB ILE 17 HB ILE 17 -2.510 -4.076 0.308
125 HG12 ILE 17 2HG1 ILE 17 -1.377 -6.076 1.092
126 HG13 ILE 17 3HG1 ILE 17 -0.275 -5.228 0.017
127 HG21 ILE 17 1HG2 ILE 17 -1.598 -1.810 0.587
128 HG22 ILE 17 2HG2 ILE 17 -0.491 -2.797 -0.365
129 HG23 ILE 17 3HG2 ILE 17 -0.136 -2.461 1.332
130 HD11 ILE 17 3HD1 ILE 17 0.949 -4.366 1.973
131 HD12 ILE 17 1HD1 ILE 17 0.882 -6.126 1.934
132 HD13 ILE 17 2HD1 ILE 17 -0.159 -5.239 3.038
133 H ILE 18 H ILE 18 -4.675 -3.550 1.500
134 HA ILE 18 HA ILE 18 -5.024 -0.758 1.338
135 HB ILE 18 HB ILE 18 -7.174 -2.917 1.552
136 HG12 ILE 18 2HG1 ILE 18 -5.984 -1.633 -0.948
137 HG13 ILE 18 3HG1 ILE 18 -5.536 -3.221 -0.340
138 HG21 ILE 18 1HG2 ILE 18 -8.123 -0.690 2.014
139 HG22 ILE 18 2HG2 ILE 18 -8.684 -1.279 0.448
140 HG23 ILE 18 3HG2 ILE 18 -7.410 -0.061 0.528
141 HD11 ILE 18 3HD1 ILE 18 -7.087 -3.390 -2.160
142 HD12 ILE 18 1HD1 ILE 18 -8.270 -2.411 -1.293
143 HD13 ILE 18 2HD1 ILE 18 -7.810 -4.001 -0.676
144 H ARG 19 H ARG 19 -6.223 -3.139 3.727
145 HA ARG 19 HA ARG 19 -7.566 -1.320 5.403
146 HB2 ARG 19 2HB ARG 19 -7.935 -3.800 5.440
147 HB3 ARG 19 3HB ARG 19 -6.358 -4.014 6.202
148 HG2 ARG 19 2HG ARG 19 -7.126 -2.707 8.160
149 HG3 ARG 19 3HG ARG 19 -8.691 -2.460 7.388
150 HD2 ARG 19 2HD ARG 19 -9.020 -4.958 7.415
151 HD3 ARG 19 3HD ARG 19 -7.524 -5.091 8.353
152 HE ARG 19 HE ARG 19 -9.700 -3.372 9.350
153 HH11 ARG 19 1HH1 ARG 19 -7.811 -6.303 9.762
154 HH12 ARG 19 2HH1 ARG 19 -8.374 -6.577 11.381
155 HH21 ARG 19 1HH2 ARG 19 -10.448 -3.747 11.456
156 HH22 ARG 19 2HH2 ARG 19 -9.871 -5.127 12.342
157 H GLU 20 H GLU 20 -4.228 -2.507 5.389
158 HA GLU 20 HA GLU 20 -3.374 -1.611 7.908
159 HB2 GLU 20 2HB GLU 20 -2.125 -3.207 6.407
160 HB3 GLU 20 3HB GLU 20 -1.697 -1.853 5.369
161 HG2 GLU 20 2HG GLU 20 0.187 -2.400 6.784
162 HG3 GLU 20 3HG GLU 20 -0.454 -0.828 7.260
163 H ILE 21 H ILE 21 -3.359 -0.041 4.732
164 HA ILE 21 HA ILE 21 -2.202 2.429 5.630
165 HB ILE 21 HB ILE 21 -3.798 1.861 3.092
166 HG12 ILE 21 2HG1 ILE 21 -1.856 0.372 3.193
167 HG13 ILE 21 3HG1 ILE 21 -1.568 1.603 1.976
168 HG21 ILE 21 1HG2 ILE 21 -2.642 3.843 2.160
169 HG22 ILE 21 2HG2 ILE 21 -1.920 4.163 3.735
170 HG23 ILE 21 3HG2 ILE 21 -3.671 4.263 3.533
171 HD11 ILE 21 3HD1 ILE 21 0.435 1.124 3.241
172 HD12 ILE 21 1HD1 ILE 21 -0.376 1.525 4.753
173 HD13 ILE 21 2HD1 ILE 21 -0.080 2.781 3.547
174 H ARG 22 H ARG 22 -5.527 1.248 5.170
175 HA ARG 22 HA ARG 22 -6.801 3.805 5.356
176 HB2 ARG 22 2HB ARG 22 -7.885 0.958 5.468
177 HB3 ARG 22 3HB ARG 22 -8.929 2.377 5.541
178 HG2 ARG 22 2HG ARG 22 -7.086 1.664 3.235
179 HG3 ARG 22 3HG ARG 22 -8.830 1.423 3.278
180 HD2 ARG 22 2HD ARG 22 -7.387 4.093 3.351
181 HD3 ARG 22 3HD ARG 22 -8.287 3.411 1.990
182 HE ARG 22 HE ARG 22 -10.080 3.451 4.057
183 HH11 ARG 22 1HH1 ARG 22 -8.215 5.903 2.379
184 HH12 ARG 22 2HH1 ARG 22 -9.374 7.155 2.692
185 HH21 ARG 22 1HH2 ARG 22 -11.536 5.113 4.542
186 HH22 ARG 22 2HH2 ARG 22 -11.250 6.706 3.918
187 H GLU 23 H GLU 23 -5.947 1.397 7.782
188 HA GLU 23 HA GLU 23 -7.724 2.351 9.832
189 HB2 GLU 23 2HB GLU 23 -5.192 0.673 10.100
190 HB3 GLU 23 3HB GLU 23 -6.325 0.995 11.405
191 HG2 GLU 23 2HG GLU 23 -6.802 -0.648 8.922
192 HG3 GLU 23 3HG GLU 23 -6.728 -1.219 10.581
193 H GLN 24 H GLN 24 -4.422 3.073 8.834
194 HA GLN 24 HA GLN 24 -3.852 4.737 11.163
195 HB2 GLN 24 2HB GLN 24 -2.138 4.348 8.668
196 HB3 GLN 24 3HB GLN 24 -1.613 4.928 10.247
197 HG2 GLN 24 2HG GLN 24 -2.026 2.697 11.215
198 HG3 GLN 24 3HG GLN 24 -2.587 2.120 9.642
199 HE21 GLN 24 1HE2 GLN 24 -0.990 0.559 9.380
200 HE22 GLN 24 2HE2 GLN 24 0.680 0.949 9.163
201 H TRP 25 H TRP 25 -4.050 5.116 7.643
202 HA TRP 25 HA TRP 25 -4.588 8.019 7.893
203 HB2 TRP 25 2HB TRP 25 -3.572 6.467 5.460
204 HB3 TRP 25 3HB TRP 25 -3.747 8.215 5.591
205 HD1 TRP 25 HD1 TRP 25 -1.920 9.488 7.246
206 HE1 TRP 25 HE1 TRP 25 0.462 8.808 7.919
207 HE3 TRP 25 HE3 TRP 25 -2.049 4.548 5.910
208 HZ2 TRP 25 HZ2 TRP 25 2.074 6.508 7.892
209 HZ3 TRP 25 HZ3 TRP 25 -0.042 3.170 6.263
210 HH2 TRP 25 HH2 TRP 25 1.984 4.136 7.235
211 HA PRO 26 HA PRO 26 -8.743 6.395 6.533
212 HB2 PRO 26 2HB PRO 26 -9.755 8.929 7.733
213 HB3 PRO 26 3HB PRO 26 -10.169 7.251 8.136
214 HG2 PRO 26 2HG PRO 26 -8.715 8.837 9.788
215 HG3 PRO 26 3HG PRO 26 -8.510 7.070 9.732
216 HD2 PRO 26 2HD PRO 26 -6.796 9.220 8.496
217 HD3 PRO 26 3HD PRO 26 -6.321 7.702 9.289
218 H LYS 27 H LYS 27 -7.095 9.475 6.003
219 HA LYS 27 HA LYS 27 -8.850 10.233 3.800
220 HB2 LYS 27 2HB LYS 27 -6.390 11.621 4.946
221 HB3 LYS 27 3HB LYS 27 -7.576 12.331 3.858
222 HG2 LYS 27 2HG LYS 27 -8.136 11.403 6.694
223 HG3 LYS 27 3HG LYS 27 -7.863 13.073 6.216
224 HD2 LYS 27 2HD LYS 27 -10.156 11.333 5.225
225 HD3 LYS 27 3HD LYS 27 -10.282 12.510 6.531
226 HE2 LYS 27 2HE LYS 27 -9.554 13.180 3.656
227 HE3 LYS 27 3HE LYS 27 -11.149 13.382 4.373
228 HZ1 LYS 27 3HZ LYS 27 -9.919 15.449 4.346
229 HZ2 LYS 27 1HZ LYS 27 -8.681 14.766 5.270
230 HZ3 LYS 27 2HZ LYS 27 -10.219 14.959 5.931
231 H ALA 28 H ALA 28 -7.094 7.805 3.342
232 HA ALA 28 HA ALA 28 -5.034 8.885 1.502
233 HB1 ALA 28 3HB ALA 28 -4.846 6.346 3.186
234 HB2 ALA 28 1HB ALA 28 -3.904 7.822 3.419
235 HB3 ALA 28 2HB ALA 28 -3.679 6.855 1.962
236 H THR 29 H THR 29 -5.904 8.542 -0.541
237 HA THR 29 HA THR 29 -8.006 6.673 -0.990
238 HB THR 29 HB THR 29 -6.345 8.200 -3.047
239 HG1 THR 29 HG1 THR 29 -8.905 8.988 -2.160
240 HG21 THR 29 3HG2 THR 29 -9.134 6.988 -3.294
241 HG22 THR 29 1HG2 THR 29 -7.671 6.356 -4.062
242 HG23 THR 29 2HG2 THR 29 -8.301 7.935 -4.527
243 H VAL 30 H VAL 30 -7.616 4.541 -0.998
244 HA VAL 30 HA VAL 30 -5.334 3.440 -2.543
245 HB VAL 30 HB VAL 30 -7.109 1.857 -0.614
246 HG11 VAL 30 1HG1 VAL 30 -5.859 0.515 -2.252
247 HG12 VAL 30 2HG1 VAL 30 -5.240 0.247 -0.622
248 HG13 VAL 30 3HG1 VAL 30 -4.346 1.275 -1.745
249 HG21 VAL 30 3HG2 VAL 30 -5.378 2.072 1.119
250 HG22 VAL 30 1HG2 VAL 30 -6.032 3.655 0.687
251 HG23 VAL 30 2HG2 VAL 30 -4.451 3.158 0.082
252 H THR 31 H THR 31 -5.790 2.198 -4.304
253 HA THR 31 HA THR 31 -8.589 1.494 -4.996
254 HB THR 31 HB THR 31 -6.361 2.272 -6.969
255 HG1 THR 31 HG1 THR 31 -8.340 3.774 -5.699
256 HG21 THR 31 3HG2 THR 31 -8.140 2.262 -8.663
257 HG22 THR 31 1HG2 THR 31 -9.326 1.766 -7.454
258 HG23 THR 31 2HG2 THR 31 -8.016 0.671 -7.912
259 H ARG 32 H ARG 32 -8.843 -0.659 -5.574
260 HA ARG 32 HA ARG 32 -6.432 -2.373 -5.526
261 HB2 ARG 32 2HB ARG 32 -8.027 -2.807 -3.692
262 HB3 ARG 32 3HB ARG 32 -9.328 -3.059 -4.852
263 HG2 ARG 32 2HG ARG 32 -8.192 -5.044 -5.744
264 HG3 ARG 32 3HG ARG 32 -6.822 -4.771 -4.660
265 HD2 ARG 32 2HD ARG 32 -8.392 -6.541 -3.878
266 HD3 ARG 32 3HD ARG 32 -8.188 -5.229 -2.722
267 HE ARG 32 HE ARG 32 -10.355 -4.357 -3.494
268 HH11 ARG 32 1HH1 ARG 32 -9.728 -7.787 -4.041
269 HH12 ARG 32 2HH1 ARG 32 -11.412 -8.197 -4.095
270 HH21 ARG 32 1HH2 ARG 32 -12.509 -4.891 -3.569
271 HH22 ARG 32 2HH2 ARG 32 -12.993 -6.536 -3.825
272 H THR 33 H THR 33 -6.015 -3.623 -7.234
273 HA THR 33 HA THR 33 -7.976 -4.272 -9.253
274 HB THR 33 HB THR 33 -7.147 -2.268 -10.305
275 HG1 THR 33 HG1 THR 33 -5.952 -3.164 -12.121
276 HG21 THR 33 3HG2 THR 33 -4.286 -3.124 -9.768
277 HG22 THR 33 1HG2 THR 33 -5.142 -1.820 -8.947
278 HG23 THR 33 2HG2 THR 33 -4.783 -1.688 -10.667
279 H ASN 34 H ASN 34 -7.756 -6.475 -8.962
280 HA ASN 34 HA ASN 34 -5.901 -7.708 -7.386
281 HB2 ASN 34 2HB ASN 34 -8.014 -8.774 -8.227
282 HB3 ASN 34 3HB ASN 34 -7.193 -9.122 -9.744
283 HD21 ASN 34 1HD2 ASN 34 -7.369 -11.388 -9.476
284 HD22 ASN 34 2HD2 ASN 34 -6.488 -12.258 -8.271
285 H GLY 35 H GLY 35 -3.800 -8.243 -7.476
286 HA2 GLY 35 2HA GLY 35 -1.793 -8.891 -8.714
287 HA3 GLY 35 3HA GLY 35 -2.342 -7.896 -10.055
288 H ASP 36 H ASP 36 -3.092 -5.556 -8.649
289 HA ASP 36 HA ASP 36 -0.648 -4.680 -7.252
290 HB2 ASP 36 2HB ASP 36 -2.077 -3.264 -9.540
291 HB3 ASP 36 3HB ASP 36 -1.000 -2.400 -8.450
292 H ILE 37 H ILE 37 -0.873 -2.809 -6.001
293 HA ILE 37 HA ILE 37 -3.580 -1.960 -5.139
294 HB ILE 37 HB ILE 37 -1.147 -2.476 -3.343
295 HG12 ILE 37 2HG1 ILE 37 -2.497 -4.489 -3.778
296 HG13 ILE 37 3HG1 ILE 37 -2.699 -3.991 -2.101
297 HG21 ILE 37 1HG2 ILE 37 -3.740 -1.082 -2.537
298 HG22 ILE 37 2HG2 ILE 37 -2.136 -0.347 -2.618
299 HG23 ILE 37 3HG2 ILE 37 -2.467 -1.604 -1.430
300 HD11 ILE 37 3HD1 ILE 37 -4.807 -4.676 -2.980
301 HD12 ILE 37 1HD1 ILE 37 -4.652 -3.598 -4.363
302 HD13 ILE 37 2HD1 ILE 37 -4.865 -2.933 -2.741
303 H LYS 38 H LYS 38 -3.761 -0.003 -6.015
304 HA LYS 38 HA LYS 38 -1.426 1.762 -6.330
305 HB2 LYS 38 2HB LYS 38 -4.274 2.089 -7.407
306 HB3 LYS 38 3HB LYS 38 -2.859 3.040 -7.864
307 HG2 LYS 38 2HG LYS 38 -1.798 0.996 -8.794
308 HG3 LYS 38 3HG LYS 38 -3.245 0.074 -8.385
309 HD2 LYS 38 2HD LYS 38 -3.163 2.432 -10.308
310 HD3 LYS 38 3HD LYS 38 -3.174 0.734 -10.781
311 HE2 LYS 38 2HE LYS 38 -5.400 0.476 -9.662
312 HE3 LYS 38 3HE LYS 38 -5.388 2.208 -9.311
313 HZ1 LYS 38 3HZ LYS 38 -5.348 2.672 -11.661
314 HZ2 LYS 38 1HZ LYS 38 -6.654 1.659 -11.311
315 HZ3 LYS 38 2HZ LYS 38 -5.263 1.025 -12.034
316 H LEU 39 H LEU 39 -1.042 2.853 -4.555
317 HA LEU 39 HA LEU 39 -3.182 4.130 -2.958
318 HB2 LEU 39 2HB LEU 39 -1.823 2.637 -1.631
319 HB3 LEU 39 3HB LEU 39 -0.330 3.250 -2.324
320 HG LEU 39 HG LEU 39 -0.619 5.391 -1.085
321 HD11 LEU 39 1HD1 LEU 39 -2.339 5.663 0.631
322 HD12 LEU 39 2HD1 LEU 39 -3.085 4.137 0.150
323 HD13 LEU 39 3HD1 LEU 39 -3.064 5.499 -0.968
324 HD21 LEU 39 3HD2 LEU 39 -0.179 4.520 1.160
325 HD22 LEU 39 1HD2 LEU 39 0.659 3.573 -0.068
326 HD23 LEU 39 2HD2 LEU 39 -0.807 2.941 0.686
327 H ASP 40 H ASP 40 -3.069 6.321 -2.554
328 HA ASP 40 HA ASP 40 -1.016 7.923 -3.952
329 HB2 ASP 40 2HB ASP 40 -3.235 8.457 -4.838
330 HB3 ASP 40 3HB ASP 40 -3.879 8.667 -3.213
331 H ALA 41 H ALA 41 0.471 8.378 -2.508
332 HA ALA 41 HA ALA 41 -0.071 8.773 0.324
333 HB1 ALA 41 3HB ALA 41 2.373 9.046 0.511
334 HB2 ALA 41 1HB ALA 41 2.522 8.990 -1.250
335 HB3 ALA 41 2HB ALA 41 1.959 7.572 -0.364
336 H GLN 42 H GLN 42 0.066 10.713 1.382
337 HA GLN 42 HA GLN 42 -0.861 12.974 -0.058
338 HB2 GLN 42 2HB GLN 42 0.165 13.061 2.804
339 HB3 GLN 42 3HB GLN 42 -1.088 14.052 2.070
340 HG2 GLN 42 2HG GLN 42 -1.314 11.098 2.723
341 HG3 GLN 42 3HG GLN 42 -2.017 12.419 3.644
342 HE21 GLN 42 1HE2 GLN 42 -4.114 11.719 3.459
343 HE22 GLN 42 2HE2 GLN 42 -4.989 11.678 1.969
344 H THR 43 H THR 43 2.059 12.566 1.933
345 HA THR 43 HA THR 43 3.583 14.309 0.082
346 HB THR 43 HB THR 43 5.047 14.908 1.986
347 HG1 THR 43 HG1 THR 43 3.378 14.004 3.982
348 HG21 THR 43 3HG2 THR 43 3.112 16.390 1.536
349 HG22 THR 43 1HG2 THR 43 3.497 16.343 3.257
350 HG23 THR 43 2HG2 THR 43 2.118 15.433 2.641
351 H GLU 44 H GLU 44 5.976 13.734 0.146
352 HA GLU 44 HA GLU 44 6.429 10.960 -0.349
353 HB2 GLU 44 2HB GLU 44 8.722 11.545 -0.837
354 HB3 GLU 44 3HB GLU 44 7.712 12.825 -1.477
355 HG2 GLU 44 2HG GLU 44 9.321 12.967 1.088
356 HG3 GLU 44 3HG GLU 44 9.783 13.677 -0.452
357 H LYS 45 H LYS 45 6.870 13.050 2.401
358 HA LYS 45 HA LYS 45 8.494 11.324 3.994
359 HB2 LYS 45 2HB LYS 45 8.178 13.914 4.125
360 HB3 LYS 45 3HB LYS 45 6.707 13.570 5.020
361 HG2 LYS 45 2HG LYS 45 8.518 14.079 6.559
362 HG3 LYS 45 3HG LYS 45 8.044 12.390 6.751
363 HD2 LYS 45 2HD LYS 45 10.519 12.742 6.809
364 HD3 LYS 45 3HD LYS 45 10.008 11.641 5.529
365 HE2 LYS 45 2HE LYS 45 11.770 13.220 4.774
366 HE3 LYS 45 3HE LYS 45 10.277 13.417 3.855
367 HZ1 LYS 45 3HZ LYS 45 9.750 15.326 5.282
368 HZ2 LYS 45 1HZ LYS 45 11.195 15.546 4.436
369 HZ3 LYS 45 2HZ LYS 45 11.229 15.144 6.074
370 H GLU 46 H GLU 46 5.102 11.587 3.308
371 HA GLU 46 HA GLU 46 4.221 10.017 5.599
372 HB2 GLU 46 2HB GLU 46 2.871 11.919 4.382
373 HB3 GLU 46 3HB GLU 46 2.529 10.707 3.156
374 HG2 GLU 46 2HG GLU 46 0.680 10.839 4.716
375 HG3 GLU 46 3HG GLU 46 1.480 9.274 4.905
376 H ALA 47 H ALA 47 4.782 9.745 2.110
377 HA ALA 47 HA ALA 47 3.889 7.223 1.506
378 HB1 ALA 47 3HB ALA 47 6.393 8.534 0.402
379 HB2 ALA 47 1HB ALA 47 4.746 8.808 -0.167
380 HB3 ALA 47 2HB ALA 47 5.483 7.215 -0.345
381 H GLU 48 H GLU 48 6.916 8.125 3.086
382 HA GLU 48 HA GLU 48 8.261 5.647 2.826
383 HB2 GLU 48 2HB GLU 48 8.671 7.870 4.884
384 HB3 GLU 48 3HB GLU 48 9.794 6.541 4.584
385 HG2 GLU 48 2HG GLU 48 10.058 7.311 2.230
386 HG3 GLU 48 3HG GLU 48 8.987 8.667 2.578
387 H LYS 49 H LYS 49 5.946 6.813 5.219
388 HA LYS 49 HA LYS 49 6.324 4.615 7.068
389 HB2 LYS 49 2HB LYS 49 3.870 6.421 6.919
390 HB3 LYS 49 3HB LYS 49 4.469 5.514 8.305
391 HG2 LYS 49 2HG LYS 49 6.476 7.022 8.356
392 HG3 LYS 49 3HG LYS 49 5.730 7.974 7.064
393 HD2 LYS 49 2HD LYS 49 3.692 8.232 8.626
394 HD3 LYS 49 3HD LYS 49 4.715 7.561 9.902
395 HE2 LYS 49 2HE LYS 49 4.749 9.970 10.068
396 HE3 LYS 49 3HE LYS 49 6.337 9.445 9.503
397 HZ1 LYS 49 3HZ LYS 49 4.155 10.449 7.744
398 HZ2 LYS 49 1HZ LYS 49 5.736 10.065 7.272
399 HZ3 LYS 49 2HZ LYS 49 5.454 11.375 8.302
400 H MET 50 H MET 50 4.019 5.581 4.649
401 HA MET 50 HA MET 50 2.118 3.536 4.750
402 HB2 MET 50 2HB MET 50 3.006 5.204 2.368
403 HB3 MET 50 3HB MET 50 1.621 4.123 2.325
404 HG2 MET 50 2HG MET 50 0.568 5.435 4.140
405 HG3 MET 50 3HG MET 50 1.937 6.552 4.097
406 HE1 MET 50 3HE MET 50 -1.296 7.261 3.636
407 HE2 MET 50 1HE MET 50 -1.101 8.509 2.405
408 HE3 MET 50 2HE MET 50 -0.019 8.468 3.795
409 H GLU 51 H GLU 51 4.730 3.678 2.271
410 HA GLU 51 HA GLU 51 4.523 1.041 1.371
411 HB2 GLU 51 2HB GLU 51 6.668 1.387 0.286
412 HB3 GLU 51 3HB GLU 51 5.723 2.865 0.177
413 HG2 GLU 51 2HG GLU 51 7.023 3.823 2.045
414 HG3 GLU 51 3HG GLU 51 7.994 2.363 2.128
415 H LYS 52 H LYS 52 6.037 2.253 4.243
416 HA LYS 52 HA LYS 52 7.713 -0.038 4.804
417 HB2 LYS 52 2HB LYS 52 8.207 2.153 5.837
418 HB3 LYS 52 3HB LYS 52 6.669 2.117 6.687
419 HG2 LYS 52 2HG LYS 52 8.494 1.541 8.214
420 HG3 LYS 52 3HG LYS 52 7.422 0.155 7.999
421 HD2 LYS 52 2HD LYS 52 9.753 -0.576 7.988
422 HD3 LYS 52 3HD LYS 52 9.048 -0.834 6.390
423 HE2 LYS 52 2HE LYS 52 11.316 0.080 6.203
424 HE3 LYS 52 3HE LYS 52 10.142 1.243 5.589
425 HZ1 LYS 52 3HZ LYS 52 11.387 1.308 8.285
426 HZ2 LYS 52 1HZ LYS 52 10.302 2.447 7.673
427 HZ3 LYS 52 2HZ LYS 52 11.834 2.281 6.981
428 H ALA 53 H ALA 53 4.464 1.032 5.709
429 HA ALA 53 HA ALA 53 3.822 -1.016 7.556
430 HB1 ALA 53 3HB ALA 53 2.604 1.129 7.447
431 HB2 ALA 53 1HB ALA 53 1.500 -0.237 7.295
432 HB3 ALA 53 2HB ALA 53 1.955 0.692 5.865
433 H VAL 54 H VAL 54 3.399 -0.711 4.029
434 HA VAL 54 HA VAL 54 2.164 -3.118 3.410
435 HB VAL 54 HB VAL 54 4.374 -1.661 1.880
436 HG11 VAL 54 1HG1 VAL 54 2.411 -3.733 0.832
437 HG12 VAL 54 2HG1 VAL 54 4.147 -3.965 1.056
438 HG13 VAL 54 3HG1 VAL 54 3.559 -2.811 -0.139
439 HG21 VAL 54 3HG2 VAL 54 2.536 -0.617 0.595
440 HG22 VAL 54 1HG2 VAL 54 2.431 -0.221 2.312
441 HG23 VAL 54 2HG2 VAL 54 1.351 -1.433 1.619
442 H LYS 55 H LYS 55 5.699 -2.480 3.572
443 HA LYS 55 HA LYS 55 6.624 -5.075 3.121
444 HB2 LYS 55 2HB LYS 55 7.966 -2.867 4.735
445 HB3 LYS 55 3HB LYS 55 8.781 -4.320 4.159
446 HG2 LYS 55 2HG LYS 55 8.352 -3.645 1.822
447 HG3 LYS 55 3HG LYS 55 7.528 -2.189 2.394
448 HD2 LYS 55 2HD LYS 55 9.661 -1.460 3.505
449 HD3 LYS 55 3HD LYS 55 10.466 -2.881 2.831
450 HE2 LYS 55 2HE LYS 55 9.959 -2.049 0.540
451 HE3 LYS 55 3HE LYS 55 9.214 -0.613 1.247
452 HZ1 LYS 55 3HZ LYS 55 12.064 -1.410 1.576
453 HZ2 LYS 55 1HZ LYS 55 11.349 -0.015 2.210
454 HZ3 LYS 55 2HZ LYS 55 11.493 -0.210 0.538
455 H LYS 56 H LYS 56 5.428 -3.638 6.081
456 HA LYS 56 HA LYS 56 6.326 -5.546 7.973
457 HB2 LYS 56 2HB LYS 56 3.828 -3.787 7.977
458 HB3 LYS 56 3HB LYS 56 4.374 -4.715 9.369
459 HG2 LYS 56 2HG LYS 56 5.948 -2.497 8.032
460 HG3 LYS 56 3HG LYS 56 4.992 -2.317 9.499
461 HD2 LYS 56 2HD LYS 56 7.409 -4.144 9.196
462 HD3 LYS 56 3HD LYS 56 7.411 -2.561 9.974
463 HE2 LYS 56 2HE LYS 56 5.792 -3.392 11.661
464 HE3 LYS 56 3HE LYS 56 5.821 -4.982 10.894
465 HZ1 LYS 56 3HZ LYS 56 8.120 -5.214 11.452
466 HZ2 LYS 56 1HZ LYS 56 7.271 -4.813 12.858
467 HZ3 LYS 56 2HZ LYS 56 8.201 -3.643 12.064
468 H VAL 57 H VAL 57 3.513 -5.438 5.856
469 HA VAL 57 HA VAL 57 2.245 -7.816 6.950
470 HB VAL 57 HB VAL 57 1.538 -6.115 4.503
471 HG11 VAL 57 1HG1 VAL 57 -0.155 -8.206 5.927
472 HG12 VAL 57 2HG1 VAL 57 0.581 -8.380 4.331
473 HG13 VAL 57 3HG1 VAL 57 -0.671 -7.172 4.593
474 HG21 VAL 57 3HG2 VAL 57 -0.199 -5.089 5.916
475 HG22 VAL 57 1HG2 VAL 57 1.413 -4.806 6.580
476 HG23 VAL 57 2HG2 VAL 57 0.359 -6.023 7.307
477 H LYS 58 H LYS 58 4.462 -7.022 4.384
478 HA LYS 58 HA LYS 58 4.530 -9.741 3.401
479 HB2 LYS 58 2HB LYS 58 4.136 -9.131 1.008
480 HB3 LYS 58 3HB LYS 58 2.713 -9.002 2.023
481 HG2 LYS 58 2HG LYS 58 2.922 -6.557 2.050
482 HG3 LYS 58 3HG LYS 58 4.391 -6.653 1.083
483 HD2 LYS 58 2HD LYS 58 1.702 -7.704 0.111
484 HD3 LYS 58 3HD LYS 58 2.240 -6.051 -0.168
485 HE2 LYS 58 2HE LYS 58 2.671 -7.340 -2.153
486 HE3 LYS 58 3HE LYS 58 4.219 -6.958 -1.410
487 HZ1 LYS 58 3HZ LYS 58 2.794 -9.562 -1.276
488 HZ2 LYS 58 1HZ LYS 58 4.259 -9.227 -0.503
489 HZ3 LYS 58 2HZ LYS 58 4.169 -9.221 -2.185
490 HA PRO 59 HA PRO 59 8.790 -8.054 3.634
491 HB2 PRO 59 2HB PRO 59 9.464 -10.957 3.163
492 HB3 PRO 59 3HB PRO 59 10.006 -9.862 4.456
493 HG2 PRO 59 2HG PRO 59 8.235 -11.768 4.979
494 HG3 PRO 59 3HG PRO 59 8.065 -10.159 5.720
495 HD2 PRO 59 2HD PRO 59 6.580 -11.303 3.342
496 HD3 PRO 59 3HD PRO 59 5.955 -10.377 4.730
497 H ASN 60 H ASN 60 7.425 -10.084 1.105
498 HA ASN 60 HA ASN 60 9.669 -9.733 -0.730
499 HB2 ASN 60 2HB ASN 60 7.044 -11.238 -1.016
500 HB3 ASN 60 3HB ASN 60 8.312 -11.196 -2.242
501 HD21 ASN 60 1HD2 ASN 60 9.094 -13.223 -2.229
502 HD22 ASN 60 2HD2 ASN 60 9.692 -14.052 -0.839
503 H ALA 61 H ALA 61 7.609 -7.535 0.159
504 HA ALA 61 HA ALA 61 5.983 -6.745 -1.960
505 HB1 ALA 61 3HB ALA 61 7.304 -4.970 0.130
506 HB2 ALA 61 1HB ALA 61 5.790 -5.853 0.336
507 HB3 ALA 61 2HB ALA 61 5.892 -4.550 -0.846
508 H THR 62 H THR 62 6.635 -6.290 -4.001
509 HA THR 62 HA THR 62 8.982 -4.576 -4.496
510 HB THR 62 HB THR 62 7.135 -5.982 -6.494
511 HG1 THR 62 HG1 THR 62 8.297 -7.565 -5.522
512 HG21 THR 62 3HG2 THR 62 8.887 -5.479 -8.164
513 HG22 THR 62 1HG2 THR 62 9.818 -4.602 -6.950
514 HG23 THR 62 2HG2 THR 62 8.249 -3.985 -7.477
515 H ILE 63 H ILE 63 8.438 -2.522 -4.025
516 HA ILE 63 HA ILE 63 5.728 -1.497 -4.573
517 HB ILE 63 HB ILE 63 7.955 -0.348 -2.812
518 HG12 ILE 63 2HG1 ILE 63 5.363 -1.713 -1.954
519 HG13 ILE 63 3HG1 ILE 63 6.899 -2.561 -2.064
520 HG21 ILE 63 1HG2 ILE 63 6.233 1.201 -1.938
521 HG22 ILE 63 2HG2 ILE 63 5.054 0.546 -3.077
522 HG23 ILE 63 3HG2 ILE 63 6.458 1.428 -3.676
523 HD11 ILE 63 3HD1 ILE 63 6.449 -2.004 0.195
524 HD12 ILE 63 1HD1 ILE 63 6.200 -0.305 -0.202
525 HD13 ILE 63 2HD1 ILE 63 7.804 -1.024 -0.358
526 H ARG 64 H ARG 64 5.469 -0.327 -6.307
527 HA ARG 64 HA ARG 64 7.753 0.581 -7.904
528 HB2 ARG 64 2HB ARG 64 4.797 0.304 -8.670
529 HB3 ARG 64 3HB ARG 64 6.114 0.720 -9.769
530 HG2 ARG 64 2HG ARG 64 7.183 -1.517 -9.151
531 HG3 ARG 64 3HG ARG 64 5.676 -1.918 -8.332
532 HD2 ARG 64 2HD ARG 64 5.856 -1.183 -11.264
533 HD3 ARG 64 3HD ARG 64 5.924 -2.842 -10.674
534 HE ARG 64 HE ARG 64 3.616 -2.137 -9.629
535 HH11 ARG 64 1HH1 ARG 64 4.831 -1.319 -12.864
536 HH12 ARG 64 2HH1 ARG 64 3.236 -1.263 -13.551
537 HH21 ARG 64 1HH2 ARG 64 1.573 -2.166 -10.622
538 HH22 ARG 64 2HH2 ARG 64 1.405 -1.740 -12.299
539 H LYS 65 H LYS 65 8.367 2.590 -7.627
540 HA LYS 65 HA LYS 65 6.649 4.492 -6.175
541 HB2 LYS 65 2HB LYS 65 8.752 3.653 -5.087
542 HB3 LYS 65 3HB LYS 65 9.691 4.313 -6.420
543 HG2 LYS 65 2HG LYS 65 9.837 5.758 -4.477
544 HG3 LYS 65 3HG LYS 65 8.992 6.601 -5.778
545 HD2 LYS 65 2HD LYS 65 6.897 6.437 -4.688
546 HD3 LYS 65 3HD LYS 65 7.436 5.127 -3.632
547 HE2 LYS 65 2HE LYS 65 8.407 8.003 -3.471
548 HE3 LYS 65 3HE LYS 65 7.180 7.274 -2.430
549 HZ1 LYS 65 3HZ LYS 65 8.824 5.708 -1.628
550 HZ2 LYS 65 1HZ LYS 65 9.356 7.288 -1.382
551 HZ3 LYS 65 2HZ LYS 65 9.998 6.368 -2.642
552 H THR 66 H THR 66 5.684 5.781 -7.676
553 HA THR 66 HA THR 66 7.466 7.425 -9.390
554 HB THR 66 HB THR 66 5.599 7.560 -11.086
555 HG1 THR 66 HG1 THR 66 4.458 5.574 -9.418
556 HG21 THR 66 3HG2 THR 66 6.651 4.744 -10.647
557 HG22 THR 66 1HG2 THR 66 7.491 6.032 -11.516
558 HG23 THR 66 2HG2 THR 66 5.985 5.371 -12.155
559 H GLY 67 H GLY 67 5.721 9.305 -10.276
560 HA2 GLY 67 2HA GLY 67 4.369 10.439 -7.884
561 HA3 GLY 67 3HA GLY 67 5.512 11.392 -8.828
562 H GLY 68 H GLY 68 5.024 11.470 -11.236
563 HA2 GLY 68 2HA GLY 68 3.636 11.826 -13.032
564 HA3 GLY 68 3HA GLY 68 2.340 11.023 -12.165
565 H SER 69 H SER 69 1.148 12.277 -10.569
566 HA SER 69 HA SER 69 0.279 14.772 -11.584
567 HB2 SER 69 2HB SER 69 -1.225 13.197 -10.397
568 HB3 SER 69 3HB SER 69 -0.319 13.438 -8.904
569 HG SER 69 HG SER 69 -2.080 14.775 -8.826
570 H LEU 70 H LEU 70 1.399 16.626 -11.406
571 HA LEU 70 HA LEU 70 3.088 17.268 -9.110
572 HB2 LEU 70 2HB LEU 70 2.344 18.955 -11.552
573 HB3 LEU 70 3HB LEU 70 3.537 19.397 -10.342
574 HG LEU 70 HG LEU 70 3.774 17.036 -12.257
575 HD11 LEU 70 1HD1 LEU 70 4.011 19.180 -13.421
576 HD12 LEU 70 2HD1 LEU 70 5.546 18.321 -13.350
577 HD13 LEU 70 3HD1 LEU 70 5.254 19.689 -12.270
578 HD21 LEU 70 3HD2 LEU 70 6.089 16.828 -11.424
579 HD22 LEU 70 1HD2 LEU 70 4.907 16.548 -10.146
580 HD23 LEU 70 2HD2 LEU 70 5.772 18.084 -10.224
581 H GLU 71 H GLU 71 1.181 16.960 -7.712
582 HA GLU 71 HA GLU 71 -1.100 18.661 -7.784
583 HB2 GLU 71 2HB GLU 71 -1.341 16.486 -6.828
584 HB3 GLU 71 3HB GLU 71 0.032 16.726 -5.763
585 HG2 GLU 71 2HG GLU 71 -1.351 18.446 -4.515
586 HG3 GLU 71 3HG GLU 71 -2.722 17.948 -5.504
587 H HIS 72 H HIS 72 1.428 18.406 -5.262
588 HA HIS 72 HA HIS 72 0.741 21.112 -4.328
589 HB2 HIS 72 2HB HIS 72 0.644 19.280 -2.666
590 HB3 HIS 72 3HB HIS 72 2.332 18.882 -2.974
591 HD1 HIS 72 HD1 HIS 72 4.118 20.396 -1.927
592 HD2 HIS 72 HD2 HIS 72 0.238 21.585 -1.048
593 HE1 HIS 72 HE1 HIS 72 4.342 22.134 -0.133
594 HE2 HIS 72 HE2 HIS 72 1.988 22.875 0.342
595 H HIS 73 H HIS 73 1.826 22.073 -6.136
596 HA HIS 73 HA HIS 73 4.707 22.475 -5.661
597 HB2 HIS 73 2HB HIS 73 3.415 21.835 -8.344
598 HB3 HIS 73 3HB HIS 73 4.961 22.660 -8.244
599 HD1 HIS 73 HD1 HIS 73 6.981 21.225 -8.086
600 HD2 HIS 73 HD2 HIS 73 3.517 19.123 -7.187
601 HE1 HIS 73 HE1 HIS 73 7.691 18.838 -7.804
602 HE2 HIS 73 HE2 HIS 73 5.612 17.640 -7.087
603 H HIS 74 H HIS 74 2.561 23.799 -8.206
604 HA HIS 74 HA HIS 74 1.917 26.238 -6.966
605 HB2 HIS 74 2HB HIS 74 3.443 27.817 -8.164
606 HB3 HIS 74 3HB HIS 74 4.323 26.775 -7.057
607 HD1 HIS 74 HD1 HIS 74 4.937 28.243 -10.108
608 HD2 HIS 74 HD2 HIS 74 5.188 24.297 -8.858
609 HE1 HIS 74 HE1 HIS 74 6.520 27.129 -11.696
610 HE2 HIS 74 HE2 HIS 74 6.847 24.846 -10.726
611 H HIS 75 H HIS 75 0.398 27.251 -8.128
612 HA HIS 75 HA HIS 75 -0.532 26.335 -10.687
613 HB2 HIS 75 2HB HIS 75 -2.072 27.199 -8.946
614 HB3 HIS 75 3HB HIS 75 -1.277 28.764 -8.992
615 HD1 HIS 75 HD1 HIS 75 -3.881 26.734 -10.695
616 HD2 HIS 75 HD2 HIS 75 -1.966 30.376 -11.243
617 HE1 HIS 75 HE1 HIS 75 -5.265 27.977 -12.386
618 HE2 HIS 75 HE2 HIS 75 -4.149 30.223 -12.590
619 H HIS 76 H HIS 76 0.605 26.796 -12.497
620 HA HIS 76 HA HIS 76 1.941 29.430 -12.805
621 HB2 HIS 76 2HB HIS 76 3.787 28.326 -14.003
622 HB3 HIS 76 3HB HIS 76 3.620 27.656 -12.383
623 HD1 HIS 76 HD1 HIS 76 3.252 26.778 -16.004
624 HD2 HIS 76 HD2 HIS 76 2.862 24.929 -12.301
625 HE1 HIS 76 HE1 HIS 76 3.073 24.332 -16.493
626 HE2 HIS 76 HE2 HIS 76 2.743 23.242 -14.251
627 H HIS 77 H HIS 77 1.698 30.445 -14.703
628 HA HIS 77 HA HIS 77 -0.252 29.468 -16.630
629 HB2 HIS 77 2HB HIS 77 -0.371 31.820 -15.828
630 HB3 HIS 77 3HB HIS 77 1.237 32.137 -16.476
631 HD1 HIS 77 HD1 HIS 77 -2.342 31.757 -17.512
632 HD2 HIS 77 HD2 HIS 77 1.335 32.471 -19.310
633 HE1 HIS 77 HE1 HIS 77 -2.866 32.591 -19.816
634 HE2 HIS 77 HE2 HIS 77 -0.640 33.149 -20.819
Start of MODEL 5
1 H1 MET 1 1H MET 1 -1.215 13.614 -4.206
2 H2 MET 1 2H MET 1 -0.161 12.491 -3.524
3 H3 MET 1 3H MET 1 -1.066 12.072 -4.882
4 HA MET 1 HA MET 1 0.088 13.689 -6.203
5 HB2 MET 1 2HB MET 1 0.596 15.299 -4.393
6 HB3 MET 1 3HB MET 1 1.698 14.144 -3.655
7 HG2 MET 1 2HG MET 1 2.908 15.907 -4.864
8 HG3 MET 1 3HG MET 1 3.212 14.317 -5.567
9 HE1 MET 1 3HE MET 1 3.324 16.728 -8.688
10 HE2 MET 1 1HE MET 1 4.222 15.540 -7.743
11 HE3 MET 1 2HE MET 1 3.864 17.129 -7.058
12 H VAL 2 H VAL 2 1.727 11.767 -3.664
13 HA VAL 2 HA VAL 2 3.611 10.619 -5.554
14 HB VAL 2 HB VAL 2 3.223 9.996 -2.588
15 HG11 VAL 2 1HG1 VAL 2 4.420 8.184 -3.739
16 HG12 VAL 2 2HG1 VAL 2 5.535 9.073 -2.700
17 HG13 VAL 2 3HG1 VAL 2 5.550 9.344 -4.445
18 HG21 VAL 2 3HG2 VAL 2 5.155 11.926 -3.927
19 HG22 VAL 2 1HG2 VAL 2 5.158 11.506 -2.213
20 HG23 VAL 2 2HG2 VAL 2 3.783 12.366 -2.908
21 H ASP 3 H ASP 3 3.003 8.980 -6.804
22 HA ASP 3 HA ASP 3 0.729 7.264 -6.086
23 HB2 ASP 3 2HB ASP 3 0.613 8.428 -8.224
24 HB3 ASP 3 3HB ASP 3 2.187 7.802 -8.698
25 H LEU 4 H LEU 4 1.094 5.321 -5.307
26 HA LEU 4 HA LEU 4 3.711 3.954 -5.571
27 HB2 LEU 4 2HB LEU 4 1.642 3.776 -3.329
28 HB3 LEU 4 3HB LEU 4 3.184 2.934 -3.364
29 HG LEU 4 HG LEU 4 2.855 5.961 -3.184
30 HD11 LEU 4 1HD1 LEU 4 3.568 5.738 -0.844
31 HD12 LEU 4 2HD1 LEU 4 3.591 3.980 -1.001
32 HD13 LEU 4 3HD1 LEU 4 2.068 4.862 -1.138
33 HD21 LEU 4 3HD2 LEU 4 5.268 5.995 -2.691
34 HD22 LEU 4 1HD2 LEU 4 4.947 5.336 -4.294
35 HD23 LEU 4 2HD2 LEU 4 5.358 4.252 -2.961
36 H LYS 5 H LYS 5 3.545 2.167 -6.896
37 HA LYS 5 HA LYS 5 1.102 0.477 -6.773
38 HB2 LYS 5 2HB LYS 5 3.330 0.547 -8.871
39 HB3 LYS 5 3HB LYS 5 2.088 -0.693 -8.816
40 HG2 LYS 5 2HG LYS 5 1.494 0.886 -10.522
41 HG3 LYS 5 3HG LYS 5 0.352 1.067 -9.191
42 HD2 LYS 5 2HD LYS 5 1.049 3.254 -10.129
43 HD3 LYS 5 3HD LYS 5 1.506 3.092 -8.433
44 HE2 LYS 5 2HE LYS 5 3.828 2.432 -9.223
45 HE3 LYS 5 3HE LYS 5 3.318 2.852 -10.859
46 HZ1 LYS 5 3HZ LYS 5 2.912 5.096 -10.136
47 HZ2 LYS 5 1HZ LYS 5 4.499 4.651 -9.762
48 HZ3 LYS 5 2HZ LYS 5 3.330 4.708 -8.544
49 H ILE 6 H ILE 6 1.301 -1.150 -5.385
50 HA ILE 6 HA ILE 6 3.967 -2.276 -4.733
51 HB ILE 6 HB ILE 6 1.375 -2.511 -3.104
52 HG12 ILE 6 2HG1 ILE 6 2.786 -1.216 -1.318
53 HG13 ILE 6 3HG1 ILE 6 3.843 -0.771 -2.646
54 HG21 ILE 6 1HG2 ILE 6 2.762 -3.661 -1.416
55 HG22 ILE 6 2HG2 ILE 6 4.175 -3.522 -2.459
56 HG23 ILE 6 3HG2 ILE 6 2.807 -4.522 -2.952
57 HD11 ILE 6 3HD1 ILE 6 0.922 -0.064 -2.397
58 HD12 ILE 6 1HD1 ILE 6 1.986 0.397 -3.729
59 HD13 ILE 6 2HD1 ILE 6 2.294 1.006 -2.102
60 H ASP 7 H ASP 7 4.313 -4.204 -5.790
61 HA ASP 7 HA ASP 7 2.247 -5.732 -7.033
62 HB2 ASP 7 2HB ASP 7 4.648 -5.814 -7.761
63 HB3 ASP 7 3HB ASP 7 5.058 -6.646 -6.262
64 H VAL 8 H VAL 8 0.954 -7.331 -6.184
65 HA VAL 8 HA VAL 8 1.519 -8.394 -3.482
66 HB VAL 8 HB VAL 8 -0.956 -8.525 -3.046
67 HG11 VAL 8 1HG1 VAL 8 -1.280 -6.137 -2.490
68 HG12 VAL 8 2HG1 VAL 8 0.089 -5.707 -3.520
69 HG13 VAL 8 3HG1 VAL 8 0.344 -6.689 -2.076
70 HG21 VAL 8 3HG2 VAL 8 -1.789 -8.462 -5.366
71 HG22 VAL 8 1HG2 VAL 8 -1.236 -6.795 -5.537
72 HG23 VAL 8 2HG2 VAL 8 -2.535 -7.183 -4.407
73 H SER 9 H SER 9 1.282 -10.529 -3.215
74 HA SER 9 HA SER 9 1.418 -12.248 -5.489
75 HB2 SER 9 2HB SER 9 1.041 -13.259 -2.646
76 HB3 SER 9 3HB SER 9 2.049 -13.923 -3.937
77 HG SER 9 HG SER 9 2.565 -11.908 -2.102
78 H ASP 10 H ASP 10 -1.042 -11.425 -3.123
79 HA ASP 10 HA ASP 10 -3.009 -13.281 -4.315
80 HB2 ASP 10 2HB ASP 10 -1.813 -14.382 -2.372
81 HB3 ASP 10 3HB ASP 10 -2.390 -13.092 -1.323
82 H ASP 11 H ASP 11 -5.221 -12.855 -3.102
83 HA ASP 11 HA ASP 11 -5.798 -10.030 -3.591
84 HB2 ASP 11 2HB ASP 11 -7.571 -12.498 -3.412
85 HB3 ASP 11 3HB ASP 11 -8.237 -10.867 -3.482
86 H GLU 12 H GLU 12 -6.149 -12.506 -1.033
87 HA GLU 12 HA GLU 12 -7.458 -10.839 0.882
88 HB2 GLU 12 2HB GLU 12 -7.463 -13.305 1.074
89 HB3 GLU 12 3HB GLU 12 -5.717 -13.309 1.289
90 HG2 GLU 12 2HG GLU 12 -6.031 -11.996 3.413
91 HG3 GLU 12 3HG GLU 12 -7.776 -12.161 3.214
92 H GLU 13 H GLU 13 -4.069 -11.837 0.352
93 HA GLU 13 HA GLU 13 -2.755 -10.356 2.305
94 HB2 GLU 13 2HB GLU 13 -1.678 -12.084 0.900
95 HB3 GLU 13 3HB GLU 13 -1.798 -11.029 -0.508
96 HG2 GLU 13 2HG GLU 13 -0.335 -9.364 0.804
97 HG3 GLU 13 3HG GLU 13 -0.053 -10.674 1.952
98 H ALA 14 H ALA 14 -3.839 -9.367 -0.919
99 HA ALA 14 HA ALA 14 -2.774 -6.763 -1.003
100 HB1 ALA 14 3HB ALA 14 -3.716 -7.902 -2.976
101 HB2 ALA 14 1HB ALA 14 -4.476 -6.324 -2.727
102 HB3 ALA 14 2HB ALA 14 -5.329 -7.803 -2.274
103 H GLU 15 H GLU 15 -5.905 -7.993 0.199
104 HA GLU 15 HA GLU 15 -6.985 -5.448 0.959
105 HB2 GLU 15 2HB GLU 15 -7.829 -8.276 1.710
106 HB3 GLU 15 3HB GLU 15 -8.770 -6.821 2.061
107 HG2 GLU 15 2HG GLU 15 -9.034 -6.366 -0.327
108 HG3 GLU 15 3HG GLU 15 -7.999 -7.736 -0.730
109 H LYS 16 H LYS 16 -4.981 -7.806 2.550
110 HA LYS 16 HA LYS 16 -5.147 -6.976 5.235
111 HB2 LYS 16 2HB LYS 16 -2.810 -8.115 3.639
112 HB3 LYS 16 3HB LYS 16 -2.747 -7.853 5.376
113 HG2 LYS 16 2HG LYS 16 -4.763 -9.677 4.025
114 HG3 LYS 16 3HG LYS 16 -3.207 -10.228 4.649
115 HD2 LYS 16 2HD LYS 16 -5.381 -8.902 6.318
116 HD3 LYS 16 3HD LYS 16 -5.100 -10.641 6.219
117 HE2 LYS 16 2HE LYS 16 -2.897 -10.393 7.227
118 HE3 LYS 16 3HE LYS 16 -3.039 -8.633 7.201
119 HZ1 LYS 16 3HZ LYS 16 -3.507 -9.578 9.380
120 HZ2 LYS 16 1HZ LYS 16 -4.800 -10.456 8.733
121 HZ3 LYS 16 2HZ LYS 16 -4.848 -8.765 8.748
122 H ILE 17 H ILE 17 -3.135 -5.938 2.515
123 HA ILE 17 HA ILE 17 -1.643 -3.918 3.796
124 HB ILE 17 HB ILE 17 -2.389 -4.163 0.846
125 HG12 ILE 17 2HG1 ILE 17 -1.261 -6.187 1.458
126 HG13 ILE 17 3HG1 ILE 17 -0.057 -5.202 0.644
127 HG21 ILE 17 1HG2 ILE 17 -0.388 -2.788 0.378
128 HG22 ILE 17 2HG2 ILE 17 -0.143 -2.562 2.111
129 HG23 ILE 17 3HG2 ILE 17 -1.584 -1.907 1.332
130 HD11 ILE 17 3HD1 ILE 17 0.873 -4.585 2.845
131 HD12 ILE 17 1HD1 ILE 17 0.901 -6.320 2.537
132 HD13 ILE 17 2HD1 ILE 17 -0.312 -5.642 3.618
133 H ILE 18 H ILE 18 -4.673 -3.821 1.924
134 HA ILE 18 HA ILE 18 -5.142 -1.047 1.921
135 HB ILE 18 HB ILE 18 -7.226 -3.287 1.953
136 HG12 ILE 18 2HG1 ILE 18 -5.992 -1.823 -0.432
137 HG13 ILE 18 3HG1 ILE 18 -5.599 -3.464 0.063
138 HG21 ILE 18 1HG2 ILE 18 -8.786 -1.647 0.933
139 HG22 ILE 18 2HG2 ILE 18 -7.562 -0.384 1.085
140 HG23 ILE 18 3HG2 ILE 18 -8.256 -1.117 2.533
141 HD11 ILE 18 3HD1 ILE 18 -7.082 -3.467 -1.841
142 HD12 ILE 18 1HD1 ILE 18 -8.276 -2.514 -0.957
143 HD13 ILE 18 2HD1 ILE 18 -7.895 -4.159 -0.438
144 H ARG 19 H ARG 19 -5.893 -3.557 4.335
145 HA ARG 19 HA ARG 19 -7.424 -1.901 6.066
146 HB2 ARG 19 2HB ARG 19 -7.600 -4.376 6.131
147 HB3 ARG 19 3HB ARG 19 -5.949 -4.484 6.749
148 HG2 ARG 19 2HG ARG 19 -6.617 -3.242 8.772
149 HG3 ARG 19 3HG ARG 19 -8.256 -3.086 8.147
150 HD2 ARG 19 2HD ARG 19 -8.569 -5.515 8.310
151 HD3 ARG 19 3HD ARG 19 -6.900 -5.708 8.868
152 HE ARG 19 HE ARG 19 -7.827 -3.971 10.663
153 HH11 ARG 19 1HH1 ARG 19 -9.273 -6.997 9.584
154 HH12 ARG 19 2HH1 ARG 19 -10.085 -7.269 11.092
155 HH21 ARG 19 1HH2 ARG 19 -8.923 -4.331 12.592
156 HH22 ARG 19 2HH2 ARG 19 -9.888 -5.760 12.794
157 H GLU 20 H GLU 20 -3.955 -2.838 6.037
158 HA GLU 20 HA GLU 20 -3.133 -1.631 8.425
159 HB2 GLU 20 2HB GLU 20 -1.512 -1.859 5.845
160 HB3 GLU 20 3HB GLU 20 -0.848 -1.546 7.447
161 HG2 GLU 20 2HG GLU 20 -2.171 -4.086 6.482
162 HG3 GLU 20 3HG GLU 20 -0.464 -3.841 6.828
163 H ILE 21 H ILE 21 -3.209 -0.327 5.139
164 HA ILE 21 HA ILE 21 -2.088 2.195 5.710
165 HB ILE 21 HB ILE 21 -3.841 1.336 3.368
166 HG12 ILE 21 2HG1 ILE 21 -1.774 0.004 3.486
167 HG13 ILE 21 3HG1 ILE 21 -1.678 1.110 2.125
168 HG21 ILE 21 1HG2 ILE 21 -2.901 3.291 2.159
169 HG22 ILE 21 2HG2 ILE 21 -2.097 3.814 3.641
170 HG23 ILE 21 3HG2 ILE 21 -3.861 3.778 3.556
171 HD11 ILE 21 3HD1 ILE 21 -0.304 1.445 4.791
172 HD12 ILE 21 1HD1 ILE 21 -0.208 2.576 3.438
173 HD13 ILE 21 2HD1 ILE 21 0.438 0.945 3.273
174 H ARG 22 H ARG 22 -5.495 1.086 5.501
175 HA ARG 22 HA ARG 22 -6.486 3.784 5.812
176 HB2 ARG 22 2HB ARG 22 -8.042 1.187 5.692
177 HB3 ARG 22 3HB ARG 22 -8.748 2.806 5.696
178 HG2 ARG 22 2HG ARG 22 -7.215 3.193 3.584
179 HG3 ARG 22 3HG ARG 22 -7.160 1.432 3.520
180 HD2 ARG 22 2HD ARG 22 -8.917 2.131 2.062
181 HD3 ARG 22 3HD ARG 22 -9.697 1.463 3.503
182 HE ARG 22 HE ARG 22 -9.255 4.357 3.435
183 HH11 ARG 22 1HH1 ARG 22 -11.593 1.752 3.062
184 HH12 ARG 22 2HH1 ARG 22 -12.958 2.809 3.215
185 HH21 ARG 22 1HH2 ARG 22 -11.039 5.719 3.586
186 HH22 ARG 22 2HH2 ARG 22 -12.643 5.058 3.510
187 H GLU 23 H GLU 23 -5.626 1.315 8.070
188 HA GLU 23 HA GLU 23 -7.242 2.264 10.251
189 HB2 GLU 23 2HB GLU 23 -4.706 0.605 10.130
190 HB3 GLU 23 3HB GLU 23 -5.342 1.163 11.676
191 HG2 GLU 23 2HG GLU 23 -7.490 0.001 11.176
192 HG3 GLU 23 3HG GLU 23 -6.778 -0.612 9.681
193 H GLN 24 H GLN 24 -4.040 3.100 9.014
194 HA GLN 24 HA GLN 24 -3.559 5.072 11.147
195 HB2 GLN 24 2HB GLN 24 -1.776 4.405 8.765
196 HB3 GLN 24 3HB GLN 24 -1.314 5.255 10.240
197 HG2 GLN 24 2HG GLN 24 -1.713 3.171 11.536
198 HG3 GLN 24 3HG GLN 24 -2.115 2.334 10.036
199 HE21 GLN 24 1HE2 GLN 24 0.443 3.663 11.975
200 HE22 GLN 24 2HE2 GLN 24 1.752 2.982 11.079
201 H TRP 25 H TRP 25 -4.359 4.878 7.763
202 HA TRP 25 HA TRP 25 -4.839 7.790 7.556
203 HB2 TRP 25 2HB TRP 25 -3.650 6.078 5.323
204 HB3 TRP 25 3HB TRP 25 -3.981 7.803 5.247
205 HD1 TRP 25 HD1 TRP 25 -2.254 9.425 6.645
206 HE1 TRP 25 HE1 TRP 25 0.199 9.055 7.296
207 HE3 TRP 25 HE3 TRP 25 -1.945 4.359 5.957
208 HZ2 TRP 25 HZ2 TRP 25 2.026 6.940 7.505
209 HZ3 TRP 25 HZ3 TRP 25 0.197 3.237 6.401
210 HH2 TRP 25 HH2 TRP 25 2.144 4.506 7.158
211 HA PRO 26 HA PRO 26 -8.707 5.362 6.282
212 HB2 PRO 26 2HB PRO 26 -10.032 7.655 7.690
213 HB3 PRO 26 3HB PRO 26 -10.329 5.910 7.846
214 HG2 PRO 26 2HG PRO 26 -9.090 7.277 9.784
215 HG3 PRO 26 3HG PRO 26 -8.617 5.608 9.383
216 HD2 PRO 26 2HD PRO 26 -7.253 8.188 8.625
217 HD3 PRO 26 3HD PRO 26 -6.539 6.646 9.155
218 H LYS 27 H LYS 27 -7.632 8.671 5.999
219 HA LYS 27 HA LYS 27 -9.508 9.291 3.813
220 HB2 LYS 27 2HB LYS 27 -7.639 11.120 5.374
221 HB3 LYS 27 3HB LYS 27 -8.822 11.636 4.173
222 HG2 LYS 27 2HG LYS 27 -10.636 10.710 5.677
223 HG3 LYS 27 3HG LYS 27 -9.394 10.400 6.893
224 HD2 LYS 27 2HD LYS 27 -10.161 13.128 5.761
225 HD3 LYS 27 3HD LYS 27 -10.566 12.512 7.365
226 HE2 LYS 27 2HE LYS 27 -8.180 12.472 7.971
227 HE3 LYS 27 3HE LYS 27 -7.743 13.026 6.354
228 HZ1 LYS 27 3HZ LYS 27 -8.965 15.071 6.779
229 HZ2 LYS 27 1HZ LYS 27 -7.734 14.843 7.913
230 HZ3 LYS 27 2HZ LYS 27 -9.340 14.544 8.340
231 H ALA 28 H ALA 28 -7.266 7.470 3.303
232 HA ALA 28 HA ALA 28 -5.477 9.080 1.571
233 HB1 ALA 28 3HB ALA 28 -4.799 6.463 2.983
234 HB2 ALA 28 1HB ALA 28 -4.105 8.047 3.339
235 HB3 ALA 28 2HB ALA 28 -3.781 7.273 1.788
236 H THR 29 H THR 29 -6.148 8.698 -0.554
237 HA THR 29 HA THR 29 -8.153 6.816 -1.143
238 HB THR 29 HB THR 29 -7.639 7.411 -3.582
239 HG1 THR 29 HG1 THR 29 -5.514 7.939 -3.566
240 HG21 THR 29 3HG2 THR 29 -8.012 9.765 -1.690
241 HG22 THR 29 1HG2 THR 29 -9.300 8.710 -2.276
242 HG23 THR 29 2HG2 THR 29 -8.425 9.746 -3.405
243 H VAL 30 H VAL 30 -7.699 4.719 -0.793
244 HA VAL 30 HA VAL 30 -5.407 3.399 -2.078
245 HB VAL 30 HB VAL 30 -7.570 2.152 -0.308
246 HG11 VAL 30 1HG1 VAL 30 -4.863 1.054 -1.171
247 HG12 VAL 30 2HG1 VAL 30 -6.437 0.510 -1.758
248 HG13 VAL 30 3HG1 VAL 30 -5.992 0.259 -0.069
249 HG21 VAL 30 3HG2 VAL 30 -5.941 2.199 1.542
250 HG22 VAL 30 1HG2 VAL 30 -6.316 3.833 0.986
251 HG23 VAL 30 2HG2 VAL 30 -4.793 3.069 0.524
252 H THR 31 H THR 31 -5.712 1.929 -3.716
253 HA THR 31 HA THR 31 -8.379 1.590 -4.927
254 HB THR 31 HB THR 31 -5.858 2.261 -6.525
255 HG1 THR 31 HG1 THR 31 -6.595 4.071 -5.261
256 HG21 THR 31 3HG2 THR 31 -7.575 0.956 -7.763
257 HG22 THR 31 1HG2 THR 31 -7.410 2.595 -8.405
258 HG23 THR 31 2HG2 THR 31 -8.779 2.188 -7.370
259 H ARG 32 H ARG 32 -8.696 -0.543 -5.410
260 HA ARG 32 HA ARG 32 -6.467 -2.431 -5.127
261 HB2 ARG 32 2HB ARG 32 -8.501 -2.836 -3.784
262 HB3 ARG 32 3HB ARG 32 -9.486 -2.858 -5.246
263 HG2 ARG 32 2HG ARG 32 -8.243 -4.877 -6.019
264 HG3 ARG 32 3HG ARG 32 -7.319 -4.859 -4.514
265 HD2 ARG 32 2HD ARG 32 -9.382 -5.210 -3.226
266 HD3 ARG 32 3HD ARG 32 -10.333 -5.165 -4.719
267 HE ARG 32 HE ARG 32 -8.464 -7.144 -5.111
268 HH11 ARG 32 1HH1 ARG 32 -11.067 -6.584 -2.810
269 HH12 ARG 32 2HH1 ARG 32 -11.360 -8.275 -2.559
270 HH21 ARG 32 1HH2 ARG 32 -8.861 -9.347 -4.772
271 HH22 ARG 32 2HH2 ARG 32 -10.112 -9.835 -3.670
272 H THR 33 H THR 33 -5.599 -3.342 -6.889
273 HA THR 33 HA THR 33 -7.004 -3.457 -9.455
274 HB THR 33 HB THR 33 -4.189 -2.272 -9.154
275 HG1 THR 33 HG1 THR 33 -6.728 -1.083 -9.455
276 HG21 THR 33 3HG2 THR 33 -4.481 -3.525 -11.269
277 HG22 THR 33 1HG2 THR 33 -4.358 -1.790 -11.573
278 HG23 THR 33 2HG2 THR 33 -5.933 -2.586 -11.632
279 H ASN 34 H ASN 34 -7.015 -5.695 -9.537
280 HA ASN 34 HA ASN 34 -5.617 -7.464 -7.992
281 HB2 ASN 34 2HB ASN 34 -6.867 -7.869 -10.722
282 HB3 ASN 34 3HB ASN 34 -6.192 -9.210 -9.799
283 HD21 ASN 34 1HD2 ASN 34 -8.310 -10.109 -9.817
284 HD22 ASN 34 2HD2 ASN 34 -9.510 -9.556 -8.704
285 H GLY 35 H GLY 35 -3.540 -7.790 -7.737
286 HA2 GLY 35 2HA GLY 35 -1.450 -8.754 -8.636
287 HA3 GLY 35 3HA GLY 35 -1.638 -7.692 -10.026
288 H ASP 36 H ASP 36 -2.682 -5.655 -7.934
289 HA ASP 36 HA ASP 36 -0.215 -4.743 -6.693
290 HB2 ASP 36 2HB ASP 36 -1.668 -3.131 -8.843
291 HB3 ASP 36 3HB ASP 36 -0.551 -2.398 -7.698
292 H ILE 37 H ILE 37 -0.534 -3.330 -4.998
293 HA ILE 37 HA ILE 37 -3.199 -2.197 -4.469
294 HB ILE 37 HB ILE 37 -0.686 -2.289 -2.736
295 HG12 ILE 37 2HG1 ILE 37 -1.963 -4.374 -2.733
296 HG13 ILE 37 3HG1 ILE 37 -2.178 -3.577 -1.178
297 HG21 ILE 37 1HG2 ILE 37 -1.720 -0.078 -2.369
298 HG22 ILE 37 2HG2 ILE 37 -1.951 -1.103 -0.952
299 HG23 ILE 37 3HG2 ILE 37 -3.287 -0.836 -2.074
300 HD11 ILE 37 3HD1 ILE 37 -4.254 -4.514 -1.944
301 HD12 ILE 37 1HD1 ILE 37 -4.151 -3.625 -3.460
302 HD13 ILE 37 2HD1 ILE 37 -4.378 -2.757 -1.938
303 H LYS 38 H LYS 38 -3.543 -0.428 -5.600
304 HA LYS 38 HA LYS 38 -1.407 1.459 -6.274
305 HB2 LYS 38 2HB LYS 38 -2.976 0.727 -8.028
306 HB3 LYS 38 3HB LYS 38 -4.343 1.294 -7.077
307 HG2 LYS 38 2HG LYS 38 -3.590 3.614 -7.336
308 HG3 LYS 38 3HG LYS 38 -2.159 3.072 -8.219
309 HD2 LYS 38 2HD LYS 38 -5.007 2.544 -9.157
310 HD3 LYS 38 3HD LYS 38 -4.080 3.962 -9.645
311 HE2 LYS 38 2HE LYS 38 -3.912 2.347 -11.411
312 HE3 LYS 38 3HE LYS 38 -2.345 2.390 -10.612
313 HZ1 LYS 38 3HZ LYS 38 -2.880 0.346 -9.488
314 HZ2 LYS 38 1HZ LYS 38 -3.103 0.141 -11.147
315 HZ3 LYS 38 2HZ LYS 38 -4.439 0.340 -10.134
316 H LEU 39 H LEU 39 -0.967 2.775 -4.614
317 HA LEU 39 HA LEU 39 -3.117 3.943 -2.942
318 HB2 LEU 39 2HB LEU 39 -1.739 2.375 -1.670
319 HB3 LEU 39 3HB LEU 39 -0.264 3.137 -2.241
320 HG LEU 39 HG LEU 39 -0.781 5.174 -0.926
321 HD11 LEU 39 1HD1 LEU 39 -3.232 3.694 0.076
322 HD12 LEU 39 2HD1 LEU 39 -3.223 5.121 -0.964
323 HD13 LEU 39 3HD1 LEU 39 -2.627 5.236 0.689
324 HD21 LEU 39 3HD2 LEU 39 0.580 3.446 0.100
325 HD22 LEU 39 1HD2 LEU 39 -0.861 2.625 0.708
326 HD23 LEU 39 2HD2 LEU 39 -0.430 4.226 1.314
327 H ASP 40 H ASP 40 -2.903 6.150 -2.419
328 HA ASP 40 HA ASP 40 -0.811 7.686 -3.848
329 HB2 ASP 40 2HB ASP 40 -3.060 8.040 -4.880
330 HB3 ASP 40 3HB ASP 40 -3.682 8.578 -3.324
331 H ALA 41 H ALA 41 0.518 8.456 -2.422
332 HA ALA 41 HA ALA 41 -0.248 9.311 0.285
333 HB1 ALA 41 3HB ALA 41 1.787 7.949 0.025
334 HB2 ALA 41 1HB ALA 41 2.185 9.556 0.642
335 HB3 ALA 41 2HB ALA 41 2.478 9.161 -1.055
336 H GLN 42 H GLN 42 0.514 11.446 1.054
337 HA GLN 42 HA GLN 42 -0.152 13.552 -0.822
338 HB2 GLN 42 2HB GLN 42 -0.918 13.549 1.588
339 HB3 GLN 42 3HB GLN 42 0.752 13.811 2.085
340 HG2 GLN 42 2HG GLN 42 -0.423 15.937 2.105
341 HG3 GLN 42 3HG GLN 42 0.772 15.953 0.808
342 HE21 GLN 42 1HE2 GLN 42 -0.299 17.539 -0.408
343 HE22 GLN 42 2HE2 GLN 42 -1.803 17.251 -1.207
344 H THR 43 H THR 43 2.629 12.933 1.307
345 HA THR 43 HA THR 43 4.459 14.218 -0.636
346 HB THR 43 HB THR 43 5.950 14.714 1.306
347 HG1 THR 43 HG1 THR 43 3.967 14.304 3.200
348 HG21 THR 43 3HG2 THR 43 4.374 16.487 0.581
349 HG22 THR 43 1HG2 THR 43 4.647 16.548 2.324
350 HG23 THR 43 2HG2 THR 43 3.152 15.857 1.690
351 H GLU 44 H GLU 44 6.796 13.341 -0.073
352 HA GLU 44 HA GLU 44 6.739 10.537 -0.766
353 HB2 GLU 44 2HB GLU 44 9.246 12.218 -0.250
354 HB3 GLU 44 3HB GLU 44 9.140 10.699 -1.131
355 HG2 GLU 44 2HG GLU 44 9.398 12.361 -2.792
356 HG3 GLU 44 3HG GLU 44 7.688 11.930 -2.835
357 H LYS 45 H LYS 45 7.503 12.506 2.029
358 HA LYS 45 HA LYS 45 8.694 10.490 3.658
359 HB2 LYS 45 2HB LYS 45 8.885 13.017 3.999
360 HB3 LYS 45 3HB LYS 45 7.231 13.004 4.595
361 HG2 LYS 45 2HG LYS 45 8.794 13.024 6.471
362 HG3 LYS 45 3HG LYS 45 7.913 11.494 6.447
363 HD2 LYS 45 2HD LYS 45 10.298 11.111 6.939
364 HD3 LYS 45 3HD LYS 45 9.865 10.379 5.390
365 HE2 LYS 45 2HE LYS 45 10.809 12.421 4.246
366 HE3 LYS 45 3HE LYS 45 11.357 12.996 5.820
367 HZ1 LYS 45 3HZ LYS 45 12.715 11.004 6.012
368 HZ2 LYS 45 1HZ LYS 45 13.115 11.889 4.629
369 HZ3 LYS 45 2HZ LYS 45 12.192 10.478 4.491
370 H GLU 46 H GLU 46 5.423 11.820 3.316
371 HA GLU 46 HA GLU 46 3.932 10.188 4.980
372 HB2 GLU 46 2HB GLU 46 3.113 12.125 3.505
373 HB3 GLU 46 3HB GLU 46 3.085 10.993 2.164
374 HG2 GLU 46 2HG GLU 46 0.863 11.022 2.874
375 HG3 GLU 46 3HG GLU 46 1.511 9.570 3.639
376 H ALA 47 H ALA 47 4.877 9.628 1.597
377 HA ALA 47 HA ALA 47 3.818 7.104 1.154
378 HB1 ALA 47 3HB ALA 47 5.345 6.969 -0.751
379 HB2 ALA 47 1HB ALA 47 6.307 8.298 -0.095
380 HB3 ALA 47 2HB ALA 47 4.649 8.587 -0.625
381 H GLU 48 H GLU 48 6.923 8.004 2.623
382 HA GLU 48 HA GLU 48 8.156 5.453 2.503
383 HB2 GLU 48 2HB GLU 48 8.717 7.892 4.221
384 HB3 GLU 48 3HB GLU 48 9.669 6.413 4.358
385 HG2 GLU 48 2HG GLU 48 10.323 6.591 1.993
386 HG3 GLU 48 3HG GLU 48 9.352 8.055 1.826
387 H LYS 49 H LYS 49 6.016 6.914 4.905
388 HA LYS 49 HA LYS 49 6.290 4.783 6.838
389 HB2 LYS 49 2HB LYS 49 4.042 6.804 6.481
390 HB3 LYS 49 3HB LYS 49 4.329 5.818 7.915
391 HG2 LYS 49 2HG LYS 49 6.400 7.000 8.381
392 HG3 LYS 49 3HG LYS 49 6.270 7.913 6.871
393 HD2 LYS 49 2HD LYS 49 4.313 8.067 9.202
394 HD3 LYS 49 3HD LYS 49 5.564 9.254 8.843
395 HE2 LYS 49 2HE LYS 49 4.473 9.799 6.723
396 HE3 LYS 49 3HE LYS 49 3.253 8.555 7.005
397 HZ1 LYS 49 3HZ LYS 49 2.439 10.746 7.567
398 HZ2 LYS 49 1HZ LYS 49 3.690 10.960 8.683
399 HZ3 LYS 49 2HZ LYS 49 2.517 9.774 8.948
400 H MET 50 H MET 50 3.936 5.713 4.451
401 HA MET 50 HA MET 50 2.029 3.712 4.575
402 HB2 MET 50 2HB MET 50 2.983 5.246 2.139
403 HB3 MET 50 3HB MET 50 1.627 4.126 2.066
404 HG2 MET 50 2HG MET 50 0.496 5.450 3.856
405 HG3 MET 50 3HG MET 50 1.813 6.625 3.760
406 HE1 MET 50 3HE MET 50 -1.345 8.344 2.049
407 HE2 MET 50 1HE MET 50 -0.219 8.443 3.402
408 HE3 MET 50 2HE MET 50 -1.422 7.152 3.346
409 H GLU 51 H GLU 51 4.762 3.565 2.253
410 HA GLU 51 HA GLU 51 4.443 0.941 1.401
411 HB2 GLU 51 2HB GLU 51 6.710 1.131 0.508
412 HB3 GLU 51 3HB GLU 51 5.829 2.628 0.255
413 HG2 GLU 51 2HG GLU 51 6.991 3.621 2.191
414 HG3 GLU 51 3HG GLU 51 7.888 2.122 2.421
415 H LYS 52 H LYS 52 5.929 2.074 4.328
416 HA LYS 52 HA LYS 52 7.336 -0.391 4.984
417 HB2 LYS 52 2HB LYS 52 7.020 2.285 6.289
418 HB3 LYS 52 3HB LYS 52 7.239 0.942 7.392
419 HG2 LYS 52 2HG LYS 52 9.352 2.091 6.845
420 HG3 LYS 52 3HG LYS 52 9.372 0.378 6.417
421 HD2 LYS 52 2HD LYS 52 9.148 0.872 4.070
422 HD3 LYS 52 3HD LYS 52 8.774 2.562 4.389
423 HE2 LYS 52 2HE LYS 52 11.084 2.866 5.283
424 HE3 LYS 52 3HE LYS 52 11.435 1.192 4.836
425 HZ1 LYS 52 3HZ LYS 52 10.642 3.357 2.973
426 HZ2 LYS 52 1HZ LYS 52 10.945 1.752 2.541
427 HZ3 LYS 52 2HZ LYS 52 12.192 2.711 3.152
428 H ALA 53 H ALA 53 4.264 1.137 5.727
429 HA ALA 53 HA ALA 53 3.299 -0.713 7.647
430 HB1 ALA 53 3HB ALA 53 1.084 0.279 7.204
431 HB2 ALA 53 1HB ALA 53 1.723 1.086 5.768
432 HB3 ALA 53 2HB ALA 53 2.317 1.532 7.369
433 H VAL 54 H VAL 54 3.103 -0.571 4.102
434 HA VAL 54 HA VAL 54 1.657 -2.871 3.536
435 HB VAL 54 HB VAL 54 4.085 -1.757 2.048
436 HG11 VAL 54 1HG1 VAL 54 3.157 -2.884 0.052
437 HG12 VAL 54 2HG1 VAL 54 1.894 -3.607 1.047
438 HG13 VAL 54 3HG1 VAL 54 3.584 -4.037 1.316
439 HG21 VAL 54 3HG2 VAL 54 2.347 -0.042 2.323
440 HG22 VAL 54 1HG2 VAL 54 1.133 -1.133 1.659
441 HG23 VAL 54 2HG2 VAL 54 2.443 -0.544 0.633
442 H LYS 55 H LYS 55 5.196 -2.522 3.839
443 HA LYS 55 HA LYS 55 5.892 -5.195 3.453
444 HB2 LYS 55 2HB LYS 55 7.415 -2.882 4.678
445 HB3 LYS 55 3HB LYS 55 8.141 -4.484 4.543
446 HG2 LYS 55 2HG LYS 55 7.765 -4.429 2.087
447 HG3 LYS 55 3HG LYS 55 7.117 -2.791 2.238
448 HD2 LYS 55 2HD LYS 55 9.268 -1.953 3.008
449 HD3 LYS 55 3HD LYS 55 9.927 -3.589 3.096
450 HE2 LYS 55 2HE LYS 55 9.056 -2.193 0.541
451 HE3 LYS 55 3HE LYS 55 10.719 -2.352 1.102
452 HZ1 LYS 55 3HZ LYS 55 10.127 -4.006 -0.573
453 HZ2 LYS 55 1HZ LYS 55 8.932 -4.628 0.446
454 HZ3 LYS 55 2HZ LYS 55 10.558 -4.729 0.895
455 H LYS 56 H LYS 56 4.457 -3.939 6.285
456 HA LYS 56 HA LYS 56 5.555 -5.679 8.239
457 HB2 LYS 56 2HB LYS 56 2.771 -4.441 8.106
458 HB3 LYS 56 3HB LYS 56 3.433 -5.263 9.520
459 HG2 LYS 56 2HG LYS 56 5.265 -3.551 9.587
460 HG3 LYS 56 3HG LYS 56 4.459 -2.690 8.272
461 HD2 LYS 56 2HD LYS 56 3.320 -3.227 11.050
462 HD3 LYS 56 3HD LYS 56 3.908 -1.673 10.448
463 HE2 LYS 56 2HE LYS 56 2.102 -1.623 8.781
464 HE3 LYS 56 3HE LYS 56 1.538 -3.203 9.315
465 HZ1 LYS 56 3HZ LYS 56 1.259 -2.109 11.559
466 HZ2 LYS 56 1HZ LYS 56 0.162 -1.684 10.346
467 HZ3 LYS 56 2HZ LYS 56 1.419 -0.633 10.752
468 H VAL 57 H VAL 57 2.765 -6.047 6.029
469 HA VAL 57 HA VAL 57 2.141 -8.717 7.043
470 HB VAL 57 HB VAL 57 0.847 -7.266 4.692
471 HG11 VAL 57 1HG1 VAL 57 -1.053 -8.816 5.087
472 HG12 VAL 57 2HG1 VAL 57 -0.129 -9.627 6.348
473 HG13 VAL 57 3HG1 VAL 57 0.421 -9.685 4.672
474 HG21 VAL 57 3HG2 VAL 57 -0.067 -7.298 7.593
475 HG22 VAL 57 1HG2 VAL 57 -0.944 -6.577 6.239
476 HG23 VAL 57 2HG2 VAL 57 0.610 -5.908 6.741
477 H LYS 58 H LYS 58 4.042 -7.346 4.471
478 HA LYS 58 HA LYS 58 4.305 -9.939 3.162
479 HB2 LYS 58 2HB LYS 58 3.710 -9.231 0.948
480 HB3 LYS 58 3HB LYS 58 2.362 -8.897 2.021
481 HG2 LYS 58 2HG LYS 58 2.975 -6.487 2.020
482 HG3 LYS 58 3HG LYS 58 4.318 -6.840 0.932
483 HD2 LYS 58 2HD LYS 58 1.346 -7.070 0.344
484 HD3 LYS 58 3HD LYS 58 2.515 -5.978 -0.404
485 HE2 LYS 58 2HE LYS 58 2.442 -8.999 -0.711
486 HE3 LYS 58 3HE LYS 58 1.934 -7.819 -1.911
487 HZ1 LYS 58 3HZ LYS 58 4.150 -8.783 -2.288
488 HZ2 LYS 58 1HZ LYS 58 4.700 -8.033 -0.879
489 HZ3 LYS 58 2HZ LYS 58 4.160 -7.099 -2.184
490 HA PRO 59 HA PRO 59 8.483 -8.106 3.267
491 HB2 PRO 59 2HB PRO 59 9.838 -10.448 2.746
492 HB3 PRO 59 3HB PRO 59 9.192 -10.043 4.350
493 HG2 PRO 59 2HG PRO 59 7.998 -11.823 2.241
494 HG3 PRO 59 3HG PRO 59 8.143 -12.096 3.993
495 HD2 PRO 59 2HD PRO 59 5.825 -11.241 2.868
496 HD3 PRO 59 3HD PRO 59 6.320 -10.731 4.499
497 H ASN 60 H ASN 60 6.996 -9.995 0.654
498 HA ASN 60 HA ASN 60 9.063 -9.239 -1.283
499 HB2 ASN 60 2HB ASN 60 8.097 -11.590 -1.126
500 HB3 ASN 60 3HB ASN 60 6.579 -10.950 -1.739
501 HD21 ASN 60 1HD2 ASN 60 9.961 -11.531 -2.522
502 HD22 ASN 60 2HD2 ASN 60 9.759 -11.522 -4.237
503 H ALA 61 H ALA 61 7.247 -7.219 -0.073
504 HA ALA 61 HA ALA 61 5.589 -6.160 -2.130
505 HB1 ALA 61 3HB ALA 61 5.367 -5.476 0.219
506 HB2 ALA 61 1HB ALA 61 5.651 -4.073 -0.815
507 HB3 ALA 61 2HB ALA 61 6.964 -4.726 0.170
508 H THR 62 H THR 62 6.392 -5.709 -4.104
509 HA THR 62 HA THR 62 8.919 -4.201 -4.409
510 HB THR 62 HB THR 62 7.160 -5.487 -6.555
511 HG1 THR 62 HG1 THR 62 8.163 -7.055 -5.282
512 HG21 THR 62 3HG2 THR 62 9.964 -4.307 -6.756
513 HG22 THR 62 1HG2 THR 62 8.499 -3.598 -7.447
514 HG23 THR 62 2HG2 THR 62 9.105 -5.140 -8.054
515 H ILE 63 H ILE 63 8.552 -2.067 -4.141
516 HA ILE 63 HA ILE 63 5.867 -0.958 -4.714
517 HB ILE 63 HB ILE 63 7.963 0.003 -2.701
518 HG12 ILE 63 2HG1 ILE 63 5.426 -1.601 -2.131
519 HG13 ILE 63 3HG1 ILE 63 7.021 -2.326 -2.245
520 HG21 ILE 63 1HG2 ILE 63 6.122 1.351 -1.733
521 HG22 ILE 63 2HG2 ILE 63 5.034 0.783 -3.003
522 HG23 ILE 63 3HG2 ILE 63 6.419 1.796 -3.417
523 HD11 ILE 63 3HD1 ILE 63 6.447 -2.088 0.029
524 HD12 ILE 63 1HD1 ILE 63 6.042 -0.387 -0.179
525 HD13 ILE 63 2HD1 ILE 63 7.718 -0.920 -0.327
526 H ARG 64 H ARG 64 5.715 0.679 -6.140
527 HA ARG 64 HA ARG 64 8.172 1.705 -7.445
528 HB2 ARG 64 2HB ARG 64 5.350 1.355 -8.563
529 HB3 ARG 64 3HB ARG 64 6.719 2.019 -9.451
530 HG2 ARG 64 2HG ARG 64 7.872 -0.132 -9.362
531 HG3 ARG 64 3HG ARG 64 6.584 -0.814 -8.362
532 HD2 ARG 64 2HD ARG 64 6.372 -1.506 -10.726
533 HD3 ARG 64 3HD ARG 64 4.984 -0.548 -10.198
534 HE ARG 64 HE ARG 64 7.144 0.883 -11.563
535 HH11 ARG 64 1HH1 ARG 64 3.949 -0.555 -11.856
536 HH12 ARG 64 2HH1 ARG 64 3.566 0.307 -13.313
537 HH21 ARG 64 1HH2 ARG 64 6.630 1.997 -13.480
538 HH22 ARG 64 2HH2 ARG 64 5.083 1.748 -14.231
539 H LYS 65 H LYS 65 8.561 3.619 -6.484
540 HA LYS 65 HA LYS 65 6.388 5.435 -5.700
541 HB2 LYS 65 2HB LYS 65 8.242 5.001 -4.076
542 HB3 LYS 65 3HB LYS 65 9.394 5.689 -5.216
543 HG2 LYS 65 2HG LYS 65 8.141 7.869 -5.083
544 HG3 LYS 65 3HG LYS 65 7.105 7.158 -3.850
545 HD2 LYS 65 2HD LYS 65 10.114 7.522 -3.583
546 HD3 LYS 65 3HD LYS 65 8.914 8.648 -2.958
547 HE2 LYS 65 2HE LYS 65 9.501 7.371 -1.076
548 HE3 LYS 65 3HE LYS 65 8.003 6.615 -1.613
549 HZ1 LYS 65 3HZ LYS 65 9.676 4.983 -1.044
550 HZ2 LYS 65 1HZ LYS 65 10.747 5.625 -2.183
551 HZ3 LYS 65 2HZ LYS 65 9.313 4.890 -2.686
552 H THR 66 H THR 66 5.762 7.018 -7.010
553 HA THR 66 HA THR 66 7.769 8.637 -8.428
554 HB THR 66 HB THR 66 6.805 7.270 -10.232
555 HG1 THR 66 HG1 THR 66 6.735 8.998 -11.439
556 HG21 THR 66 3HG2 THR 66 4.080 8.300 -9.348
557 HG22 THR 66 1HG2 THR 66 4.646 6.633 -9.219
558 HG23 THR 66 2HG2 THR 66 4.396 7.360 -10.808
559 H GLY 67 H GLY 67 6.884 10.845 -8.877
560 HA2 GLY 67 2HA GLY 67 5.439 12.654 -8.296
561 HA3 GLY 67 3HA GLY 67 4.798 11.706 -6.954
562 H GLY 68 H GLY 68 8.038 12.744 -8.069
563 HA2 GLY 68 2HA GLY 68 8.628 13.843 -5.360
564 HA3 GLY 68 3HA GLY 68 9.830 13.200 -6.474
565 H SER 69 H SER 69 8.262 15.997 -5.431
566 HA SER 69 HA SER 69 8.327 17.599 -7.799
567 HB2 SER 69 2HB SER 69 8.287 18.456 -4.867
568 HB3 SER 69 3HB SER 69 7.933 19.503 -6.240
569 HG SER 69 HG SER 69 6.479 17.122 -5.943
570 H LEU 70 H LEU 70 10.000 18.681 -8.698
571 HA LEU 70 HA LEU 70 12.695 18.411 -7.754
572 HB2 LEU 70 2HB LEU 70 12.135 18.529 -10.170
573 HB3 LEU 70 3HB LEU 70 11.549 20.171 -9.961
574 HG LEU 70 HG LEU 70 13.883 20.900 -9.357
575 HD11 LEU 70 1HD1 LEU 70 14.698 18.075 -10.106
576 HD12 LEU 70 2HD1 LEU 70 14.766 18.787 -8.493
577 HD13 LEU 70 3HD1 LEU 70 15.796 19.420 -9.774
578 HD21 LEU 70 3HD2 LEU 70 13.064 21.154 -11.649
579 HD22 LEU 70 1HD2 LEU 70 13.642 19.535 -12.056
580 HD23 LEU 70 2HD2 LEU 70 14.792 20.809 -11.635
581 H GLU 71 H GLU 71 12.704 19.304 -5.704
582 HA GLU 71 HA GLU 71 11.843 22.007 -5.113
583 HB2 GLU 71 2HB GLU 71 13.413 20.023 -3.402
584 HB3 GLU 71 3HB GLU 71 12.665 21.516 -2.826
585 HG2 GLU 71 2HG GLU 71 10.443 20.625 -3.277
586 HG3 GLU 71 3HG GLU 71 11.140 19.169 -3.995
587 H HIS 72 H HIS 72 13.125 23.562 -6.076
588 HA HIS 72 HA HIS 72 16.009 23.400 -6.148
589 HB2 HIS 72 2HB HIS 72 15.970 25.671 -7.070
590 HB3 HIS 72 3HB HIS 72 14.760 24.689 -7.880
591 HD1 HIS 72 HD1 HIS 72 12.227 25.207 -7.270
592 HD2 HIS 72 HD2 HIS 72 14.988 27.950 -5.807
593 HE1 HIS 72 HE1 HIS 72 10.892 27.221 -6.595
594 HE2 HIS 72 HE2 HIS 72 12.562 28.772 -5.539
595 H HIS 73 H HIS 73 17.453 24.202 -4.680
596 HA HIS 73 HA HIS 73 16.551 25.138 -2.100
597 HB2 HIS 73 2HB HIS 73 18.565 23.679 -2.298
598 HB3 HIS 73 3HB HIS 73 19.392 24.937 -3.214
599 HD1 HIS 73 HD1 HIS 73 20.460 26.837 -1.897
600 HD2 HIS 73 HD2 HIS 73 18.177 24.313 0.488
601 HE1 HIS 73 HE1 HIS 73 20.894 27.558 0.461
602 HE2 HIS 73 HE2 HIS 73 19.540 25.995 1.886
603 H HIS 74 H HIS 74 16.461 27.221 -1.420
604 HA HIS 74 HA HIS 74 17.347 29.408 -3.212
605 HB2 HIS 74 2HB HIS 74 14.870 29.261 -2.689
606 HB3 HIS 74 3HB HIS 74 15.250 29.510 -0.992
607 HD1 HIS 74 HD1 HIS 74 14.655 31.289 -4.149
608 HD2 HIS 74 HD2 HIS 74 16.277 32.197 -0.428
609 HE1 HIS 74 HE1 HIS 74 14.670 33.794 -4.004
610 HE2 HIS 74 HE2 HIS 74 15.783 34.310 -1.816
611 H HIS 75 H HIS 75 19.122 30.442 -2.514
612 HA HIS 75 HA HIS 75 19.794 30.518 0.374
613 HB2 HIS 75 2HB HIS 75 21.442 29.323 -1.111
614 HB3 HIS 75 3HB HIS 75 21.665 30.805 -2.030
615 HD1 HIS 75 HD1 HIS 75 23.389 32.440 -1.148
616 HD2 HIS 75 HD2 HIS 75 22.436 29.492 1.624
617 HE1 HIS 75 HE1 HIS 75 25.014 32.728 0.741
618 HE2 HIS 75 HE2 HIS 75 24.457 30.895 2.372
619 H HIS 76 H HIS 76 20.544 32.502 1.218
620 HA HIS 76 HA HIS 76 20.658 34.892 -0.473
621 HB2 HIS 76 2HB HIS 76 18.351 34.975 0.351
622 HB3 HIS 76 3HB HIS 76 18.879 34.678 2.003
623 HD1 HIS 76 HD1 HIS 76 19.593 36.720 3.385
624 HD2 HIS 76 HD2 HIS 76 18.988 37.630 -0.632
625 HE1 HIS 76 HE1 HIS 76 19.660 39.228 3.229
626 HE2 HIS 76 HE2 HIS 76 19.490 39.729 0.776
627 H HIS 77 H HIS 77 20.973 33.480 2.759
628 HA HIS 77 HA HIS 77 22.441 33.629 4.449
629 HB2 HIS 77 2HB HIS 77 24.310 33.548 2.832
630 HB3 HIS 77 3HB HIS 77 24.192 35.282 2.576
631 HD1 HIS 77 HD1 HIS 77 25.370 32.735 5.066
632 HD2 HIS 77 HD2 HIS 77 25.494 36.847 4.514
633 HE1 HIS 77 HE1 HIS 77 27.021 33.593 6.744
634 HE2 HIS 77 HE2 HIS 77 27.243 36.043 6.231
Start of MODEL 6
1 H1 MET 1 1H MET 1 -0.267 14.380 -5.157
2 H2 MET 1 2H MET 1 0.692 14.423 -3.771
3 H3 MET 1 3H MET 1 -0.987 14.573 -3.642
4 HA MET 1 HA MET 1 -0.246 12.404 -2.984
5 HB2 MET 1 2HB MET 1 -1.912 12.589 -5.522
6 HB3 MET 1 3HB MET 1 -1.687 11.064 -4.668
7 HG2 MET 1 2HG MET 1 -3.812 12.117 -4.080
8 HG3 MET 1 3HG MET 1 -2.755 12.000 -2.671
9 HE1 MET 1 3HE MET 1 -4.709 15.336 -1.988
10 HE2 MET 1 1HE MET 1 -4.271 13.750 -1.351
11 HE3 MET 1 2HE MET 1 -5.350 13.877 -2.742
12 H VAL 2 H VAL 2 1.241 10.859 -3.190
13 HA VAL 2 HA VAL 2 2.953 10.740 -5.590
14 HB VAL 2 HB VAL 2 3.338 9.481 -2.818
15 HG11 VAL 2 1HG1 VAL 2 5.652 8.956 -3.539
16 HG12 VAL 2 2HG1 VAL 2 5.287 9.550 -5.162
17 HG13 VAL 2 3HG1 VAL 2 4.463 8.118 -4.539
18 HG21 VAL 2 3HG2 VAL 2 5.093 11.182 -2.492
19 HG22 VAL 2 1HG2 VAL 2 3.524 11.939 -2.779
20 HG23 VAL 2 2HG2 VAL 2 4.727 11.881 -4.072
21 H ASP 3 H ASP 3 2.924 8.979 -6.911
22 HA ASP 3 HA ASP 3 0.705 7.097 -6.691
23 HB2 ASP 3 2HB ASP 3 2.804 7.583 -8.850
24 HB3 ASP 3 3HB ASP 3 1.657 6.253 -8.946
25 H LEU 4 H LEU 4 1.080 5.591 -5.171
26 HA LEU 4 HA LEU 4 3.556 3.985 -5.228
27 HB2 LEU 4 2HB LEU 4 1.253 3.986 -3.219
28 HB3 LEU 4 3HB LEU 4 2.722 3.029 -3.087
29 HG LEU 4 HG LEU 4 2.482 6.057 -2.853
30 HD11 LEU 4 1HD1 LEU 4 3.294 5.710 -0.561
31 HD12 LEU 4 2HD1 LEU 4 3.300 3.962 -0.816
32 HD13 LEU 4 3HD1 LEU 4 1.780 4.861 -0.852
33 HD21 LEU 4 3HD2 LEU 4 5.008 4.379 -2.809
34 HD22 LEU 4 1HD2 LEU 4 4.900 6.099 -2.414
35 HD23 LEU 4 2HD2 LEU 4 4.542 5.549 -4.047
36 H LYS 5 H LYS 5 3.416 2.386 -6.706
37 HA LYS 5 HA LYS 5 0.990 0.679 -6.786
38 HB2 LYS 5 2HB LYS 5 3.138 1.063 -8.925
39 HB3 LYS 5 3HB LYS 5 1.850 -0.138 -9.006
40 HG2 LYS 5 2HG LYS 5 0.193 1.787 -8.879
41 HG3 LYS 5 3HG LYS 5 1.564 2.877 -9.065
42 HD2 LYS 5 2HD LYS 5 0.571 2.633 -11.226
43 HD3 LYS 5 3HD LYS 5 2.078 1.718 -11.268
44 HE2 LYS 5 2HE LYS 5 -0.577 0.383 -10.676
45 HE3 LYS 5 3HE LYS 5 -0.032 0.660 -12.325
46 HZ1 LYS 5 3HZ LYS 5 1.440 -0.930 -10.292
47 HZ2 LYS 5 1HZ LYS 5 1.908 -0.685 -11.895
48 HZ3 LYS 5 2HZ LYS 5 0.510 -1.564 -11.546
49 H ILE 6 H ILE 6 1.247 -1.068 -5.607
50 HA ILE 6 HA ILE 6 3.959 -2.069 -4.968
51 HB ILE 6 HB ILE 6 1.359 -2.407 -3.388
52 HG12 ILE 6 2HG1 ILE 6 2.762 -1.134 -1.575
53 HG13 ILE 6 3HG1 ILE 6 3.802 -0.653 -2.906
54 HG21 ILE 6 1HG2 ILE 6 2.769 -4.405 -3.174
55 HG22 ILE 6 2HG2 ILE 6 2.724 -3.514 -1.660
56 HG23 ILE 6 3HG2 ILE 6 4.146 -3.406 -2.697
57 HD11 ILE 6 3HD1 ILE 6 2.220 1.082 -2.314
58 HD12 ILE 6 1HD1 ILE 6 0.869 -0.006 -2.627
59 HD13 ILE 6 2HD1 ILE 6 1.920 0.503 -3.951
60 H ASP 7 H ASP 7 4.502 -4.048 -5.673
61 HA ASP 7 HA ASP 7 3.043 -5.988 -7.012
62 HB2 ASP 7 2HB ASP 7 5.417 -6.183 -6.958
63 HB3 ASP 7 3HB ASP 7 5.494 -6.028 -5.212
64 H VAL 8 H VAL 8 1.349 -7.307 -6.373
65 HA VAL 8 HA VAL 8 1.438 -8.477 -3.668
66 HB VAL 8 HB VAL 8 -1.129 -8.505 -3.582
67 HG11 VAL 8 1HG1 VAL 8 0.192 -7.132 -2.068
68 HG12 VAL 8 2HG1 VAL 8 -1.292 -6.299 -2.526
69 HG13 VAL 8 3HG1 VAL 8 0.246 -5.822 -3.252
70 HG21 VAL 8 3HG2 VAL 8 -2.348 -6.744 -4.784
71 HG22 VAL 8 1HG2 VAL 8 -1.571 -7.858 -5.912
72 HG23 VAL 8 2HG2 VAL 8 -0.866 -6.265 -5.621
73 H SER 9 H SER 9 0.963 -10.551 -3.535
74 HA SER 9 HA SER 9 0.666 -12.110 -6.011
75 HB2 SER 9 2HB SER 9 1.291 -13.036 -3.173
76 HB3 SER 9 3HB SER 9 1.457 -13.994 -4.647
77 HG SER 9 HG SER 9 2.821 -11.692 -4.896
78 H ASP 10 H ASP 10 -0.934 -11.545 -2.915
79 HA ASP 10 HA ASP 10 -3.157 -13.367 -3.663
80 HB2 ASP 10 2HB ASP 10 -1.832 -14.334 -1.841
81 HB3 ASP 10 3HB ASP 10 -1.943 -12.843 -0.915
82 H ASP 11 H ASP 11 -5.252 -12.824 -2.706
83 HA ASP 11 HA ASP 11 -5.870 -10.038 -3.305
84 HB2 ASP 11 2HB ASP 11 -7.730 -12.375 -2.646
85 HB3 ASP 11 3HB ASP 11 -8.253 -10.792 -3.213
86 H GLU 12 H GLU 12 -6.187 -12.310 -0.594
87 HA GLU 12 HA GLU 12 -7.513 -10.537 1.216
88 HB2 GLU 12 2HB GLU 12 -7.603 -13.026 1.426
89 HB3 GLU 12 3HB GLU 12 -5.885 -13.051 1.801
90 HG2 GLU 12 2HG GLU 12 -7.240 -13.298 3.827
91 HG3 GLU 12 3HG GLU 12 -6.280 -11.819 3.877
92 H GLU 13 H GLU 13 -4.161 -11.612 0.847
93 HA GLU 13 HA GLU 13 -2.745 -10.075 2.653
94 HB2 GLU 13 2HB GLU 13 -1.654 -11.771 1.360
95 HB3 GLU 13 3HB GLU 13 -2.145 -11.035 -0.162
96 HG2 GLU 13 2HG GLU 13 -0.587 -9.148 0.274
97 HG3 GLU 13 3HG GLU 13 -0.065 -9.944 1.760
98 H ALA 14 H ALA 14 -3.795 -9.207 -0.627
99 HA ALA 14 HA ALA 14 -2.739 -6.605 -0.748
100 HB1 ALA 14 3HB ALA 14 -4.269 -6.281 -2.638
101 HB2 ALA 14 1HB ALA 14 -5.158 -7.735 -2.182
102 HB3 ALA 14 2HB ALA 14 -3.482 -7.859 -2.725
103 H GLU 15 H GLU 15 -5.948 -7.774 0.319
104 HA GLU 15 HA GLU 15 -7.031 -5.240 1.016
105 HB2 GLU 15 2HB GLU 15 -7.796 -8.055 1.895
106 HB3 GLU 15 3HB GLU 15 -8.741 -6.616 2.290
107 HG2 GLU 15 2HG GLU 15 -9.045 -6.179 -0.144
108 HG3 GLU 15 3HG GLU 15 -8.158 -7.663 -0.498
109 H LYS 16 H LYS 16 -4.874 -7.371 2.728
110 HA LYS 16 HA LYS 16 -5.167 -6.067 5.296
111 HB2 LYS 16 2HB LYS 16 -3.040 -7.974 4.240
112 HB3 LYS 16 3HB LYS 16 -3.077 -7.359 5.893
113 HG2 LYS 16 2HG LYS 16 -5.218 -8.468 6.302
114 HG3 LYS 16 3HG LYS 16 -5.283 -9.015 4.621
115 HD2 LYS 16 2HD LYS 16 -3.217 -10.362 4.995
116 HD3 LYS 16 3HD LYS 16 -3.189 -9.832 6.683
117 HE2 LYS 16 2HE LYS 16 -5.347 -10.939 7.078
118 HE3 LYS 16 3HE LYS 16 -5.423 -11.423 5.382
119 HZ1 LYS 16 3HZ LYS 16 -4.667 -13.235 6.763
120 HZ2 LYS 16 1HZ LYS 16 -3.383 -12.305 7.348
121 HZ3 LYS 16 2HZ LYS 16 -3.429 -12.752 5.721
122 H ILE 17 H ILE 17 -3.236 -5.589 2.394
123 HA ILE 17 HA ILE 17 -1.468 -3.589 3.434
124 HB ILE 17 HB ILE 17 -2.524 -3.858 0.577
125 HG12 ILE 17 2HG1 ILE 17 -1.457 -5.946 1.137
126 HG13 ILE 17 3HG1 ILE 17 -0.349 -5.059 0.103
127 HG21 ILE 17 1HG2 ILE 17 -1.541 -1.657 0.942
128 HG22 ILE 17 2HG2 ILE 17 -0.496 -2.614 -0.108
129 HG23 ILE 17 3HG2 ILE 17 -0.069 -2.385 1.590
130 HD11 ILE 17 3HD1 ILE 17 0.827 -6.172 1.879
131 HD12 ILE 17 1HD1 ILE 17 -0.152 -5.363 3.098
132 HD13 ILE 17 2HD1 ILE 17 0.958 -4.429 2.091
133 H ILE 18 H ILE 18 -4.614 -3.513 1.770
134 HA ILE 18 HA ILE 18 -5.161 -0.753 1.804
135 HB ILE 18 HB ILE 18 -7.144 -3.085 1.957
136 HG12 ILE 18 2HG1 ILE 18 -6.091 -1.617 -0.517
137 HG13 ILE 18 3HG1 ILE 18 -5.656 -3.247 -0.034
138 HG21 ILE 18 1HG2 ILE 18 -7.669 -0.219 1.094
139 HG22 ILE 18 2HG2 ILE 18 -8.220 -0.970 2.593
140 HG23 ILE 18 3HG2 ILE 18 -8.833 -1.547 1.045
141 HD11 ILE 18 3HD1 ILE 18 -7.236 -3.306 -1.848
142 HD12 ILE 18 1HD1 ILE 18 -8.388 -2.327 -0.937
143 HD13 ILE 18 2HD1 ILE 18 -7.987 -3.959 -0.394
144 H ARG 19 H ARG 19 -5.664 -3.299 4.199
145 HA ARG 19 HA ARG 19 -7.161 -1.905 6.144
146 HB2 ARG 19 2HB ARG 19 -6.792 -4.431 6.005
147 HB3 ARG 19 3HB ARG 19 -5.175 -4.172 6.635
148 HG2 ARG 19 2HG ARG 19 -6.333 -4.789 8.553
149 HG3 ARG 19 3HG ARG 19 -6.405 -3.029 8.659
150 HD2 ARG 19 2HD ARG 19 -8.605 -4.864 7.642
151 HD3 ARG 19 3HD ARG 19 -8.567 -4.063 9.211
152 HE ARG 19 HE ARG 19 -8.539 -1.929 7.762
153 HH11 ARG 19 1HH1 ARG 19 -10.359 -4.851 6.969
154 HH12 ARG 19 2HH1 ARG 19 -11.584 -3.984 6.097
155 HH21 ARG 19 1HH2 ARG 19 -10.203 -0.818 6.653
156 HH22 ARG 19 2HH2 ARG 19 -11.494 -1.715 5.925
157 H GLU 20 H GLU 20 -3.649 -2.433 5.769
158 HA GLU 20 HA GLU 20 -2.745 -1.159 8.097
159 HB2 GLU 20 2HB GLU 20 -1.482 -1.904 5.461
160 HB3 GLU 20 3HB GLU 20 -0.575 -0.844 6.535
161 HG2 GLU 20 2HG GLU 20 -1.577 -3.623 7.202
162 HG3 GLU 20 3HG GLU 20 0.086 -3.166 6.836
163 H ILE 21 H ILE 21 -3.118 0.143 4.806
164 HA ILE 21 HA ILE 21 -1.921 2.661 5.415
165 HB ILE 21 HB ILE 21 -3.713 2.023 3.035
166 HG12 ILE 21 2HG1 ILE 21 -1.929 0.358 3.053
167 HG13 ILE 21 3HG1 ILE 21 -1.591 1.518 1.783
168 HG21 ILE 21 1HG2 ILE 21 -3.307 4.416 3.334
169 HG22 ILE 21 2HG2 ILE 21 -2.449 3.826 1.913
170 HG23 ILE 21 3HG2 ILE 21 -1.564 4.141 3.405
171 HD11 ILE 21 3HD1 ILE 21 0.095 2.579 3.233
172 HD12 ILE 21 1HD1 ILE 21 0.423 0.873 2.929
173 HD13 ILE 21 2HD1 ILE 21 -0.241 1.375 4.481
174 H ARG 22 H ARG 22 -5.302 1.552 5.125
175 HA ARG 22 HA ARG 22 -6.423 4.190 5.531
176 HB2 ARG 22 2HB ARG 22 -7.741 1.451 5.539
177 HB3 ARG 22 3HB ARG 22 -8.620 2.974 5.672
178 HG2 ARG 22 2HG ARG 22 -7.694 3.623 3.415
179 HG3 ARG 22 3HG ARG 22 -7.004 1.998 3.289
180 HD2 ARG 22 2HD ARG 22 -9.307 1.058 3.565
181 HD3 ARG 22 3HD ARG 22 -9.948 2.703 3.562
182 HE ARG 22 HE ARG 22 -8.391 1.822 1.243
183 HH11 ARG 22 1HH1 ARG 22 -11.574 2.563 2.580
184 HH12 ARG 22 2HH1 ARG 22 -12.338 2.628 1.024
185 HH21 ARG 22 1HH2 ARG 22 -9.462 1.775 -0.774
186 HH22 ARG 22 2HH2 ARG 22 -11.144 2.183 -0.857
187 H GLU 23 H GLU 23 -5.155 1.820 7.663
188 HA GLU 23 HA GLU 23 -6.854 2.244 9.943
189 HB2 GLU 23 2HB GLU 23 -5.394 0.201 9.552
190 HB3 GLU 23 3HB GLU 23 -3.986 1.200 9.868
191 HG2 GLU 23 2HG GLU 23 -4.450 -0.031 11.857
192 HG3 GLU 23 3HG GLU 23 -4.907 1.644 12.166
193 H GLN 24 H GLN 24 -3.685 3.372 8.906
194 HA GLN 24 HA GLN 24 -3.309 5.172 11.177
195 HB2 GLN 24 2HB GLN 24 -1.562 4.576 8.748
196 HB3 GLN 24 3HB GLN 24 -1.064 5.540 10.136
197 HG2 GLN 24 2HG GLN 24 -1.054 3.632 11.584
198 HG3 GLN 24 3HG GLN 24 -1.909 2.636 10.405
199 HE21 GLN 24 1HE2 GLN 24 -0.765 1.705 8.710
200 HE22 GLN 24 2HE2 GLN 24 0.958 1.723 8.607
201 H TRP 25 H TRP 25 -3.622 5.382 7.618
202 HA TRP 25 HA TRP 25 -4.370 8.252 7.813
203 HB2 TRP 25 2HB TRP 25 -3.291 6.855 5.319
204 HB3 TRP 25 3HB TRP 25 -3.502 8.584 5.572
205 HD1 TRP 25 HD1 TRP 25 -1.541 9.861 6.946
206 HE1 TRP 25 HE1 TRP 25 0.845 9.155 7.592
207 HE3 TRP 25 HE3 TRP 25 -1.848 4.849 5.939
208 HZ2 TRP 25 HZ2 TRP 25 2.393 6.799 7.669
209 HZ3 TRP 25 HZ3 TRP 25 0.126 3.434 6.322
210 HH2 TRP 25 HH2 TRP 25 2.207 4.396 7.168
211 HA PRO 26 HA PRO 26 -8.221 5.967 6.493
212 HB2 PRO 26 2HB PRO 26 -10.028 7.767 7.514
213 HB3 PRO 26 3HB PRO 26 -9.216 6.556 8.529
214 HG2 PRO 26 2HG PRO 26 -8.501 9.456 8.139
215 HG3 PRO 26 3HG PRO 26 -8.638 8.528 9.652
216 HD2 PRO 26 2HD PRO 26 -6.232 8.996 8.497
217 HD3 PRO 26 3HD PRO 26 -6.568 7.478 9.360
218 H LYS 27 H LYS 27 -6.993 9.117 5.852
219 HA LYS 27 HA LYS 27 -8.952 9.912 3.871
220 HB2 LYS 27 2HB LYS 27 -6.271 11.217 4.500
221 HB3 LYS 27 3HB LYS 27 -7.672 11.965 3.740
222 HG2 LYS 27 2HG LYS 27 -7.472 11.051 6.634
223 HG3 LYS 27 3HG LYS 27 -7.391 12.719 6.064
224 HD2 LYS 27 2HD LYS 27 -9.816 10.890 5.777
225 HD3 LYS 27 3HD LYS 27 -9.613 12.115 7.031
226 HE2 LYS 27 2HE LYS 27 -9.583 13.884 5.339
227 HE3 LYS 27 3HE LYS 27 -9.698 12.684 4.049
228 HZ1 LYS 27 3HZ LYS 27 -11.858 13.639 4.495
229 HZ2 LYS 27 1HZ LYS 27 -11.762 13.210 6.131
230 HZ3 LYS 27 2HZ LYS 27 -11.860 12.013 4.944
231 H ALA 28 H ALA 28 -6.079 8.052 3.901
232 HA ALA 28 HA ALA 28 -4.952 8.641 1.380
233 HB1 ALA 28 3HB ALA 28 -3.706 7.519 3.161
234 HB2 ALA 28 1HB ALA 28 -3.680 6.556 1.683
235 HB3 ALA 28 2HB ALA 28 -4.742 6.097 3.022
236 H THR 29 H THR 29 -5.785 8.310 -0.528
237 HA THR 29 HA THR 29 -8.027 6.643 -1.134
238 HB THR 29 HB THR 29 -6.070 8.088 -2.978
239 HG1 THR 29 HG1 THR 29 -8.710 8.846 -2.204
240 HG21 THR 29 3HG2 THR 29 -8.809 6.947 -3.658
241 HG22 THR 29 1HG2 THR 29 -7.263 6.316 -4.237
242 HG23 THR 29 2HG2 THR 29 -7.798 7.924 -4.722
243 H VAL 30 H VAL 30 -7.742 4.468 -0.928
244 HA VAL 30 HA VAL 30 -5.476 3.171 -2.340
245 HB VAL 30 HB VAL 30 -7.203 1.767 -0.245
246 HG11 VAL 30 1HG1 VAL 30 -5.874 0.322 -1.735
247 HG12 VAL 30 2HG1 VAL 30 -5.270 0.234 -0.080
248 HG13 VAL 30 3HG1 VAL 30 -4.398 1.184 -1.287
249 HG21 VAL 30 3HG2 VAL 30 -6.216 3.739 0.872
250 HG22 VAL 30 1HG2 VAL 30 -4.608 3.244 0.343
251 HG23 VAL 30 2HG2 VAL 30 -5.512 2.239 1.477
252 H THR 31 H THR 31 -6.205 2.758 -4.293
253 HA THR 31 HA THR 31 -8.901 1.647 -4.800
254 HB THR 31 HB THR 31 -6.755 2.519 -6.783
255 HG1 THR 31 HG1 THR 31 -7.705 4.222 -5.544
256 HG21 THR 31 3HG2 THR 31 -8.545 2.441 -8.489
257 HG22 THR 31 1HG2 THR 31 -9.668 1.785 -7.295
258 HG23 THR 31 2HG2 THR 31 -8.264 0.841 -7.801
259 H ARG 32 H ARG 32 -9.210 -0.474 -5.415
260 HA ARG 32 HA ARG 32 -6.988 -2.343 -5.176
261 HB2 ARG 32 2HB ARG 32 -9.143 -2.850 -4.060
262 HB3 ARG 32 3HB ARG 32 -9.982 -2.777 -5.605
263 HG2 ARG 32 2HG ARG 32 -8.694 -4.764 -6.372
264 HG3 ARG 32 3HG ARG 32 -7.910 -4.850 -4.793
265 HD2 ARG 32 2HD ARG 32 -10.119 -5.219 -3.724
266 HD3 ARG 32 3HD ARG 32 -10.898 -5.127 -5.308
267 HE ARG 32 HE ARG 32 -9.154 -7.101 -5.728
268 HH11 ARG 32 1HH1 ARG 32 -11.357 -6.641 -3.011
269 HH12 ARG 32 2HH1 ARG 32 -11.541 -8.341 -2.716
270 HH21 ARG 32 1HH2 ARG 32 -9.426 -9.332 -5.353
271 HH22 ARG 32 2HH2 ARG 32 -10.445 -9.870 -4.053
272 H THR 33 H THR 33 -6.009 -3.247 -6.887
273 HA THR 33 HA THR 33 -7.167 -3.137 -9.597
274 HB THR 33 HB THR 33 -4.803 -2.564 -10.462
275 HG1 THR 33 HG1 THR 33 -4.063 -2.879 -8.046
276 HG21 THR 33 3HG2 THR 33 -6.159 -0.378 -8.820
277 HG22 THR 33 1HG2 THR 33 -6.589 -0.832 -10.471
278 HG23 THR 33 2HG2 THR 33 -5.012 -0.115 -10.135
279 H ASN 34 H ASN 34 -6.940 -5.195 -10.584
280 HA ASN 34 HA ASN 34 -6.074 -7.387 -9.113
281 HB2 ASN 34 2HB ASN 34 -7.765 -7.524 -10.869
282 HB3 ASN 34 3HB ASN 34 -6.614 -7.010 -12.091
283 HD21 ASN 34 1HD2 ASN 34 -5.166 -8.501 -12.928
284 HD22 ASN 34 2HD2 ASN 34 -5.325 -10.202 -12.665
285 H GLY 35 H GLY 35 -3.983 -7.524 -8.428
286 HA2 GLY 35 2HA GLY 35 -1.893 -8.650 -8.925
287 HA3 GLY 35 3HA GLY 35 -1.832 -7.808 -10.465
288 H ASP 36 H ASP 36 -2.888 -5.467 -8.465
289 HA ASP 36 HA ASP 36 -0.229 -4.657 -7.445
290 HB2 ASP 36 2HB ASP 36 -2.001 -2.837 -9.155
291 HB3 ASP 36 3HB ASP 36 -0.478 -2.390 -8.396
292 H ILE 37 H ILE 37 -0.337 -2.931 -5.857
293 HA ILE 37 HA ILE 37 -3.019 -2.226 -4.815
294 HB ILE 37 HB ILE 37 -0.273 -1.999 -3.492
295 HG12 ILE 37 2HG1 ILE 37 -1.333 -4.233 -3.369
296 HG13 ILE 37 3HG1 ILE 37 -1.217 -3.500 -1.775
297 HG21 ILE 37 1HG2 ILE 37 -1.376 -0.987 -1.518
298 HG22 ILE 37 2HG2 ILE 37 -2.894 -0.885 -2.415
299 HG23 ILE 37 3HG2 ILE 37 -1.494 0.053 -2.939
300 HD11 ILE 37 3HD1 ILE 37 -3.695 -3.709 -3.485
301 HD12 ILE 37 1HD1 ILE 37 -3.612 -2.896 -1.917
302 HD13 ILE 37 2HD1 ILE 37 -3.316 -4.627 -2.033
303 H LYS 38 H LYS 38 -3.693 -0.576 -6.008
304 HA LYS 38 HA LYS 38 -1.949 1.619 -6.779
305 HB2 LYS 38 2HB LYS 38 -3.589 1.015 -8.421
306 HB3 LYS 38 3HB LYS 38 -4.889 0.970 -7.241
307 HG2 LYS 38 2HG LYS 38 -4.951 2.911 -8.839
308 HG3 LYS 38 3HG LYS 38 -5.009 3.344 -7.129
309 HD2 LYS 38 2HD LYS 38 -2.585 3.920 -7.208
310 HD3 LYS 38 3HD LYS 38 -2.553 3.517 -8.930
311 HE2 LYS 38 2HE LYS 38 -3.919 5.362 -9.500
312 HE3 LYS 38 3HE LYS 38 -4.484 5.576 -7.845
313 HZ1 LYS 38 3HZ LYS 38 -2.875 7.272 -8.563
314 HZ2 LYS 38 1HZ LYS 38 -1.689 6.083 -8.727
315 HZ3 LYS 38 2HZ LYS 38 -2.351 6.417 -7.208
316 H LEU 39 H LEU 39 -1.470 3.085 -5.355
317 HA LEU 39 HA LEU 39 -3.349 3.977 -3.271
318 HB2 LEU 39 2HB LEU 39 -1.918 2.340 -2.177
319 HB3 LEU 39 3HB LEU 39 -0.475 3.032 -2.892
320 HG LEU 39 HG LEU 39 -0.653 5.018 -1.451
321 HD11 LEU 39 1HD1 LEU 39 -2.323 5.210 0.324
322 HD12 LEU 39 2HD1 LEU 39 -3.147 3.769 -0.280
323 HD13 LEU 39 3HD1 LEU 39 -3.069 5.228 -1.273
324 HD21 LEU 39 3HD2 LEU 39 0.584 3.088 -0.594
325 HD22 LEU 39 1HD2 LEU 39 -0.887 2.450 0.151
326 HD23 LEU 39 2HD2 LEU 39 -0.191 3.972 0.718
327 H ASP 40 H ASP 40 -3.239 6.115 -2.857
328 HA ASP 40 HA ASP 40 -1.141 7.768 -4.133
329 HB2 ASP 40 2HB ASP 40 -4.057 8.440 -3.530
330 HB3 ASP 40 3HB ASP 40 -2.862 9.633 -4.030
331 H ALA 41 H ALA 41 0.270 8.243 -2.646
332 HA ALA 41 HA ALA 41 -0.277 8.279 0.189
333 HB1 ALA 41 3HB ALA 41 2.260 8.943 -1.355
334 HB2 ALA 41 1HB ALA 41 1.838 7.376 -0.666
335 HB3 ALA 41 2HB ALA 41 2.150 8.746 0.397
336 H GLN 42 H GLN 42 -0.329 10.057 1.542
337 HA GLN 42 HA GLN 42 -1.344 12.486 0.675
338 HB2 GLN 42 2HB GLN 42 -1.615 11.671 2.964
339 HB3 GLN 42 3HB GLN 42 0.116 11.804 3.263
340 HG2 GLN 42 2HG GLN 42 0.009 14.220 3.174
341 HG3 GLN 42 3HG GLN 42 -1.678 14.167 2.657
342 HE21 GLN 42 1HE2 GLN 42 0.506 13.722 5.348
343 HE22 GLN 42 2HE2 GLN 42 -0.696 13.775 6.587
344 H THR 43 H THR 43 1.986 11.837 1.798
345 HA THR 43 HA THR 43 3.065 13.801 -0.128
346 HB THR 43 HB THR 43 4.693 14.657 1.490
347 HG1 THR 43 HG1 THR 43 3.968 13.903 3.849
348 HG21 THR 43 3HG2 THR 43 3.251 15.890 3.068
349 HG22 THR 43 1HG2 THR 43 1.906 14.802 2.708
350 HG23 THR 43 2HG2 THR 43 2.541 15.874 1.454
351 H GLU 44 H GLU 44 5.616 13.495 -0.095
352 HA GLU 44 HA GLU 44 6.341 10.844 -0.802
353 HB2 GLU 44 2HB GLU 44 8.169 13.153 -0.000
354 HB3 GLU 44 3HB GLU 44 8.652 11.719 -0.904
355 HG2 GLU 44 2HG GLU 44 7.394 12.409 -2.836
356 HG3 GLU 44 3HG GLU 44 6.611 13.715 -1.942
357 H LYS 45 H LYS 45 6.425 12.668 2.192
358 HA LYS 45 HA LYS 45 8.169 10.919 3.644
359 HB2 LYS 45 2HB LYS 45 6.490 13.322 4.349
360 HB3 LYS 45 3HB LYS 45 6.993 12.268 5.658
361 HG2 LYS 45 2HG LYS 45 8.527 14.109 5.511
362 HG3 LYS 45 3HG LYS 45 9.367 12.632 5.057
363 HD2 LYS 45 2HD LYS 45 8.232 14.457 2.924
364 HD3 LYS 45 3HD LYS 45 9.755 14.861 3.707
365 HE2 LYS 45 2HE LYS 45 9.183 12.333 2.117
366 HE3 LYS 45 3HE LYS 45 10.147 13.705 1.587
367 HZ1 LYS 45 3HZ LYS 45 11.683 13.219 3.452
368 HZ2 LYS 45 1HZ LYS 45 11.598 11.976 2.314
369 HZ3 LYS 45 2HZ LYS 45 10.797 11.823 3.792
370 H GLU 46 H GLU 46 4.624 11.469 3.727
371 HA GLU 46 HA GLU 46 3.927 9.325 5.364
372 HB2 GLU 46 2HB GLU 46 2.438 10.896 3.261
373 HB3 GLU 46 3HB GLU 46 1.692 9.429 3.881
374 HG2 GLU 46 2HG GLU 46 0.898 11.427 5.070
375 HG3 GLU 46 3HG GLU 46 1.703 10.292 6.146
376 H ALA 47 H ALA 47 4.653 9.345 1.906
377 HA ALA 47 HA ALA 47 3.868 6.776 1.161
378 HB1 ALA 47 3HB ALA 47 6.277 8.318 0.141
379 HB2 ALA 47 1HB ALA 47 4.620 8.495 -0.445
380 HB3 ALA 47 2HB ALA 47 5.481 6.972 -0.680
381 H GLU 48 H GLU 48 6.699 7.830 2.957
382 HA GLU 48 HA GLU 48 8.270 5.470 2.672
383 HB2 GLU 48 2HB GLU 48 8.470 7.712 4.729
384 HB3 GLU 48 3HB GLU 48 9.701 6.476 4.453
385 HG2 GLU 48 2HG GLU 48 10.023 7.280 2.155
386 HG3 GLU 48 3HG GLU 48 8.758 8.483 2.383
387 H LYS 49 H LYS 49 5.867 6.476 5.111
388 HA LYS 49 HA LYS 49 6.411 4.127 6.796
389 HB2 LYS 49 2HB LYS 49 4.038 6.018 7.094
390 HB3 LYS 49 3HB LYS 49 4.615 4.844 8.261
391 HG2 LYS 49 2HG LYS 49 5.347 6.820 9.190
392 HG3 LYS 49 3HG LYS 49 6.783 6.309 8.298
393 HD2 LYS 49 2HD LYS 49 6.380 7.892 6.551
394 HD3 LYS 49 3HD LYS 49 4.732 8.200 7.103
395 HE2 LYS 49 2HE LYS 49 5.623 9.276 9.138
396 HE3 LYS 49 3HE LYS 49 7.271 8.985 8.566
397 HZ1 LYS 49 3HZ LYS 49 6.857 10.375 6.680
398 HZ2 LYS 49 1HZ LYS 49 6.470 11.231 8.084
399 HZ3 LYS 49 2HZ LYS 49 5.236 10.594 7.118
400 H MET 50 H MET 50 3.988 5.290 4.584
401 HA MET 50 HA MET 50 2.102 3.266 4.535
402 HB2 MET 50 2HB MET 50 3.076 4.985 2.232
403 HB3 MET 50 3HB MET 50 1.787 3.807 2.012
404 HG2 MET 50 2HG MET 50 0.460 4.944 3.747
405 HG3 MET 50 3HG MET 50 1.739 6.146 3.932
406 HE1 MET 50 3HE MET 50 -1.278 6.927 3.413
407 HE2 MET 50 1HE MET 50 -1.109 8.170 2.174
408 HE3 MET 50 2HE MET 50 0.010 8.129 3.537
409 H GLU 51 H GLU 51 4.927 3.337 2.312
410 HA GLU 51 HA GLU 51 4.694 0.708 1.354
411 HB2 GLU 51 2HB GLU 51 6.950 0.980 0.482
412 HB3 GLU 51 3HB GLU 51 6.044 2.472 0.264
413 HG2 GLU 51 2HG GLU 51 7.201 3.421 2.251
414 HG3 GLU 51 3HG GLU 51 8.158 1.946 2.376
415 H LYS 52 H LYS 52 6.132 1.913 4.280
416 HA LYS 52 HA LYS 52 7.625 -0.431 5.024
417 HB2 LYS 52 2HB LYS 52 8.072 1.924 5.835
418 HB3 LYS 52 3HB LYS 52 6.599 1.831 6.792
419 HG2 LYS 52 2HG LYS 52 7.587 -0.051 8.086
420 HG3 LYS 52 3HG LYS 52 9.073 0.107 7.141
421 HD2 LYS 52 2HD LYS 52 9.418 2.383 8.005
422 HD3 LYS 52 3HD LYS 52 7.886 2.310 8.882
423 HE2 LYS 52 2HE LYS 52 9.747 1.932 10.412
424 HE3 LYS 52 3HE LYS 52 8.788 0.459 10.267
425 HZ1 LYS 52 3HZ LYS 52 10.439 -0.411 8.720
426 HZ2 LYS 52 1HZ LYS 52 11.158 -0.010 10.199
427 HZ3 LYS 52 2HZ LYS 52 11.347 1.005 8.862
428 H ALA 53 H ALA 53 4.391 0.826 5.704
429 HA ALA 53 HA ALA 53 3.487 -1.148 7.523
430 HB1 ALA 53 3HB ALA 53 1.244 -0.235 7.101
431 HB2 ALA 53 1HB ALA 53 1.852 0.649 5.697
432 HB3 ALA 53 2HB ALA 53 2.420 1.063 7.316
433 H VAL 54 H VAL 54 3.358 -0.894 3.999
434 HA VAL 54 HA VAL 54 1.863 -3.155 3.310
435 HB VAL 54 HB VAL 54 4.345 -2.022 1.934
436 HG11 VAL 54 1HG1 VAL 54 2.234 -3.862 0.762
437 HG12 VAL 54 2HG1 VAL 54 3.898 -4.307 1.144
438 HG13 VAL 54 3HG1 VAL 54 3.576 -3.123 -0.120
439 HG21 VAL 54 3HG2 VAL 54 2.589 -0.337 2.130
440 HG22 VAL 54 1HG2 VAL 54 1.409 -1.438 1.423
441 HG23 VAL 54 2HG2 VAL 54 2.750 -0.837 0.447
442 H LYS 55 H LYS 55 5.334 -2.827 3.927
443 HA LYS 55 HA LYS 55 6.066 -5.510 3.563
444 HB2 LYS 55 2HB LYS 55 7.501 -3.221 4.929
445 HB3 LYS 55 3HB LYS 55 8.236 -4.816 4.741
446 HG2 LYS 55 2HG LYS 55 7.931 -4.624 2.264
447 HG3 LYS 55 3HG LYS 55 7.307 -2.986 2.497
448 HD2 LYS 55 2HD LYS 55 9.470 -2.276 3.439
449 HD3 LYS 55 3HD LYS 55 10.092 -3.924 3.303
450 HE2 LYS 55 2HE LYS 55 9.260 -2.155 0.972
451 HE3 LYS 55 3HE LYS 55 10.917 -2.482 1.475
452 HZ1 LYS 55 3HZ LYS 55 10.350 -3.883 -0.368
453 HZ2 LYS 55 1HZ LYS 55 8.977 -4.471 0.421
454 HZ3 LYS 55 2HZ LYS 55 10.513 -4.852 1.007
455 H LYS 56 H LYS 56 4.407 -4.218 6.283
456 HA LYS 56 HA LYS 56 5.209 -6.127 8.248
457 HB2 LYS 56 2HB LYS 56 2.472 -4.825 7.883
458 HB3 LYS 56 3HB LYS 56 2.942 -5.790 9.279
459 HG2 LYS 56 2HG LYS 56 4.806 -4.013 9.630
460 HG3 LYS 56 3HG LYS 56 3.877 -3.021 8.493
461 HD2 LYS 56 2HD LYS 56 1.851 -3.362 9.985
462 HD3 LYS 56 3HD LYS 56 2.906 -4.170 11.147
463 HE2 LYS 56 2HE LYS 56 2.609 -1.904 11.884
464 HE3 LYS 56 3HE LYS 56 4.255 -2.025 11.254
465 HZ1 LYS 56 3HZ LYS 56 3.139 -0.027 10.495
466 HZ2 LYS 56 1HZ LYS 56 1.915 -0.945 9.773
467 HZ3 LYS 56 2HZ LYS 56 3.502 -1.031 9.188
468 H VAL 57 H VAL 57 2.632 -6.130 5.803
469 HA VAL 57 HA VAL 57 1.662 -8.780 6.441
470 HB VAL 57 HB VAL 57 0.997 -6.978 4.063
471 HG11 VAL 57 1HG1 VAL 57 -0.533 -9.363 5.162
472 HG12 VAL 57 2HG1 VAL 57 0.349 -9.306 3.635
473 HG13 VAL 57 3HG1 VAL 57 -1.083 -8.301 3.860
474 HG21 VAL 57 3HG2 VAL 57 -0.989 -6.267 5.352
475 HG22 VAL 57 1HG2 VAL 57 0.508 -5.841 6.187
476 HG23 VAL 57 2HG2 VAL 57 -0.441 -7.226 6.730
477 H LYS 58 H LYS 58 4.005 -7.418 4.270
478 HA LYS 58 HA LYS 58 4.713 -9.953 3.126
479 HB2 LYS 58 2HB LYS 58 4.349 -9.326 0.736
480 HB3 LYS 58 3HB LYS 58 2.854 -9.512 1.642
481 HG2 LYS 58 2HG LYS 58 2.753 -6.994 1.845
482 HG3 LYS 58 3HG LYS 58 4.134 -6.906 0.758
483 HD2 LYS 58 2HD LYS 58 1.337 -7.915 0.150
484 HD3 LYS 58 3HD LYS 58 2.169 -6.535 -0.566
485 HE2 LYS 58 2HE LYS 58 2.876 -9.461 -0.989
486 HE3 LYS 58 3HE LYS 58 2.049 -8.404 -2.130
487 HZ1 LYS 58 3HZ LYS 58 4.840 -8.098 -1.182
488 HZ2 LYS 58 1HZ LYS 58 4.040 -7.030 -2.223
489 HZ3 LYS 58 2HZ LYS 58 4.354 -8.617 -2.716
490 HA PRO 59 HA PRO 59 8.311 -7.217 4.000
491 HB2 PRO 59 2HB PRO 59 10.209 -9.265 4.007
492 HB3 PRO 59 3HB PRO 59 9.172 -8.861 5.391
493 HG2 PRO 59 2HG PRO 59 8.797 -11.016 3.329
494 HG3 PRO 59 3HG PRO 59 8.608 -11.099 5.098
495 HD2 PRO 59 2HD PRO 59 6.461 -10.863 3.503
496 HD3 PRO 59 3HD PRO 59 6.527 -10.026 5.070
497 H ASN 60 H ASN 60 8.222 -9.612 1.378
498 HA ASN 60 HA ASN 60 10.492 -8.398 -0.035
499 HB2 ASN 60 2HB ASN 60 8.897 -10.948 -0.530
500 HB3 ASN 60 3HB ASN 60 10.202 -10.398 -1.577
501 HD21 ASN 60 1HD2 ASN 60 9.421 -11.607 1.618
502 HD22 ASN 60 2HD2 ASN 60 11.026 -12.068 2.040
503 H ALA 61 H ALA 61 7.680 -7.191 0.192
504 HA ALA 61 HA ALA 61 6.429 -7.070 -2.324
505 HB1 ALA 61 3HB ALA 61 5.362 -5.018 -1.480
506 HB2 ALA 61 1HB ALA 61 6.543 -4.924 -0.166
507 HB3 ALA 61 2HB ALA 61 5.400 -6.261 -0.233
508 H THR 62 H THR 62 7.412 -6.462 -4.204
509 HA THR 62 HA THR 62 9.436 -4.411 -4.362
510 HB THR 62 HB THR 62 7.783 -5.694 -6.594
511 HG1 THR 62 HG1 THR 62 9.113 -7.311 -6.407
512 HG21 THR 62 3HG2 THR 62 8.780 -3.567 -7.348
513 HG22 THR 62 1HG2 THR 62 9.605 -4.933 -8.102
514 HG23 THR 62 2HG2 THR 62 10.364 -4.078 -6.757
515 H ILE 63 H ILE 63 8.799 -2.464 -3.742
516 HA ILE 63 HA ILE 63 6.091 -1.440 -4.350
517 HB ILE 63 HB ILE 63 8.080 -0.542 -2.207
518 HG12 ILE 63 2HG1 ILE 63 5.413 -1.971 -1.824
519 HG13 ILE 63 3HG1 ILE 63 6.942 -2.828 -1.926
520 HG21 ILE 63 1HG2 ILE 63 6.195 0.848 -1.336
521 HG22 ILE 63 2HG2 ILE 63 5.243 0.431 -2.757
522 HG23 ILE 63 3HG2 ILE 63 6.729 1.366 -2.933
523 HD11 ILE 63 3HD1 ILE 63 6.267 -2.602 0.344
524 HD12 ILE 63 1HD1 ILE 63 6.136 -0.851 0.192
525 HD13 ILE 63 2HD1 ILE 63 7.714 -1.635 0.071
526 H ARG 64 H ARG 64 5.916 0.054 -5.808
527 HA ARG 64 HA ARG 64 8.342 1.296 -6.971
528 HB2 ARG 64 2HB ARG 64 5.653 0.646 -8.285
529 HB3 ARG 64 3HB ARG 64 7.044 1.372 -9.098
530 HG2 ARG 64 2HG ARG 64 8.360 -0.659 -8.774
531 HG3 ARG 64 3HG ARG 64 7.077 -1.385 -7.804
532 HD2 ARG 64 2HD ARG 64 5.596 -1.402 -9.783
533 HD3 ARG 64 3HD ARG 64 6.878 -0.675 -10.751
534 HE ARG 64 HE ARG 64 8.024 -2.697 -10.778
535 HH11 ARG 64 1HH1 ARG 64 5.115 -3.072 -8.804
536 HH12 ARG 64 2HH1 ARG 64 5.191 -4.806 -8.816
537 HH21 ARG 64 1HH2 ARG 64 8.087 -4.973 -10.786
538 HH22 ARG 64 2HH2 ARG 64 6.870 -5.874 -9.934
539 H LYS 65 H LYS 65 8.510 3.374 -6.515
540 HA LYS 65 HA LYS 65 6.128 4.950 -5.702
541 HB2 LYS 65 2HB LYS 65 7.531 4.506 -3.761
542 HB3 LYS 65 3HB LYS 65 8.975 5.025 -4.614
543 HG2 LYS 65 2HG LYS 65 8.318 7.324 -4.544
544 HG3 LYS 65 3HG LYS 65 6.679 6.916 -4.053
545 HD2 LYS 65 2HD LYS 65 7.842 7.823 -2.147
546 HD3 LYS 65 3HD LYS 65 7.571 6.109 -1.854
547 HE2 LYS 65 2HE LYS 65 10.201 7.202 -2.899
548 HE3 LYS 65 3HE LYS 65 9.845 7.048 -1.183
549 HZ1 LYS 65 3HZ LYS 65 11.068 5.149 -1.897
550 HZ2 LYS 65 1HZ LYS 65 9.985 4.832 -3.156
551 HZ3 LYS 65 2HZ LYS 65 9.488 4.656 -1.550
552 H THR 66 H THR 66 5.664 6.491 -7.069
553 HA THR 66 HA THR 66 7.752 7.865 -8.654
554 HB THR 66 HB THR 66 5.007 7.042 -9.726
555 HG1 THR 66 HG1 THR 66 6.203 5.172 -9.493
556 HG21 THR 66 3HG2 THR 66 5.953 7.624 -11.928
557 HG22 THR 66 1HG2 THR 66 7.467 8.116 -11.169
558 HG23 THR 66 2HG2 THR 66 5.984 9.023 -10.854
559 H GLY 67 H GLY 67 7.536 10.039 -8.671
560 HA2 GLY 67 2HA GLY 67 6.089 11.992 -8.917
561 HA3 GLY 67 3HA GLY 67 5.013 11.298 -7.711
562 H GLY 68 H GLY 68 5.860 13.845 -7.348
563 HA2 GLY 68 2HA GLY 68 7.546 13.696 -4.950
564 HA3 GLY 68 3HA GLY 68 8.170 14.648 -6.295
565 H SER 69 H SER 69 7.942 16.103 -4.200
566 HA SER 69 HA SER 69 5.679 17.894 -4.779
567 HB2 SER 69 2HB SER 69 6.412 16.961 -1.955
568 HB3 SER 69 3HB SER 69 5.259 18.240 -2.333
569 HG SER 69 HG SER 69 4.811 15.786 -3.558
570 H LEU 70 H LEU 70 7.234 19.241 -5.826
571 HA LEU 70 HA LEU 70 9.661 20.099 -4.500
572 HB2 LEU 70 2HB LEU 70 8.357 21.020 -7.092
573 HB3 LEU 70 3HB LEU 70 9.889 21.646 -6.504
574 HG LEU 70 HG LEU 70 9.338 18.770 -7.346
575 HD11 LEU 70 1HD1 LEU 70 9.454 20.305 -9.247
576 HD12 LEU 70 2HD1 LEU 70 10.837 19.215 -9.222
577 HD13 LEU 70 3HD1 LEU 70 11.029 20.893 -8.701
578 HD21 LEU 70 3HD2 LEU 70 11.939 19.993 -6.357
579 HD22 LEU 70 1HD2 LEU 70 11.751 18.375 -7.048
580 HD23 LEU 70 2HD2 LEU 70 10.961 18.777 -5.528
581 H GLU 71 H GLU 71 8.795 20.958 -2.576
582 HA GLU 71 HA GLU 71 7.241 23.393 -2.550
583 HB2 GLU 71 2HB GLU 71 7.796 23.420 -0.096
584 HB3 GLU 71 3HB GLU 71 7.038 21.927 -0.635
585 HG2 GLU 71 2HG GLU 71 9.182 20.767 -0.598
586 HG3 GLU 71 3HG GLU 71 10.022 22.268 -0.204
587 H HIS 72 H HIS 72 8.018 25.494 -2.006
588 HA HIS 72 HA HIS 72 10.788 26.201 -1.964
589 HB2 HIS 72 2HB HIS 72 10.934 27.258 -4.212
590 HB3 HIS 72 3HB HIS 72 10.663 25.528 -4.350
591 HD1 HIS 72 HD1 HIS 72 9.704 28.412 -6.011
592 HD2 HIS 72 HD2 HIS 72 7.519 25.197 -4.552
593 HE1 HIS 72 HE1 HIS 72 7.516 28.483 -7.225
594 HE2 HIS 72 HE2 HIS 72 6.142 26.667 -6.158
595 H HIS 73 H HIS 73 10.835 28.097 -0.868
596 HA HIS 73 HA HIS 73 8.453 29.590 -0.310
597 HB2 HIS 73 2HB HIS 73 11.369 30.079 0.423
598 HB3 HIS 73 3HB HIS 73 10.044 31.095 0.979
599 HD1 HIS 73 HD1 HIS 73 11.913 28.082 1.833
600 HD2 HIS 73 HD2 HIS 73 8.165 29.661 2.714
601 HE1 HIS 73 HE1 HIS 73 11.129 26.866 3.892
602 HE2 HIS 73 HE2 HIS 73 8.845 27.810 4.374
603 H HIS 74 H HIS 74 7.625 31.161 -1.564
604 HA HIS 74 HA HIS 74 9.143 32.505 -3.635
605 HB2 HIS 74 2HB HIS 74 7.017 33.768 -4.048
606 HB3 HIS 74 3HB HIS 74 6.781 32.025 -4.060
607 HD1 HIS 74 HD1 HIS 74 5.258 31.019 -2.303
608 HD2 HIS 74 HD2 HIS 74 5.807 35.113 -1.811
609 HE1 HIS 74 HE1 HIS 74 3.551 31.728 -0.615
610 HE2 HIS 74 HE2 HIS 74 3.936 34.194 -0.298
611 H HIS 75 H HIS 75 9.667 34.747 -3.696
612 HA HIS 75 HA HIS 75 10.481 35.902 -1.194
613 HB2 HIS 75 2HB HIS 75 11.514 37.644 -2.478
614 HB3 HIS 75 3HB HIS 75 11.718 36.174 -3.419
615 HD1 HIS 75 HD1 HIS 75 10.590 39.593 -3.685
616 HD2 HIS 75 HD2 HIS 75 9.749 36.038 -5.667
617 HE1 HIS 75 HE1 HIS 75 9.506 40.264 -5.840
618 HE2 HIS 75 HE2 HIS 75 9.046 38.098 -7.042
619 H HIS 76 H HIS 76 9.985 38.263 -0.716
620 HA HIS 76 HA HIS 76 7.216 39.075 -1.382
621 HB2 HIS 76 2HB HIS 76 8.533 39.147 1.376
622 HB3 HIS 76 3HB HIS 76 7.065 40.033 0.980
623 HD1 HIS 76 HD1 HIS 76 4.898 38.798 1.164
624 HD2 HIS 76 HD2 HIS 76 8.167 36.228 1.263
625 HE1 HIS 76 HE1 HIS 76 3.968 36.543 1.758
626 HE2 HIS 76 HE2 HIS 76 5.997 35.073 2.043
627 H HIS 77 H HIS 77 7.615 40.691 -2.752
628 HA HIS 77 HA HIS 77 9.662 42.644 -2.549
629 HB2 HIS 77 2HB HIS 77 8.566 42.199 -4.693
630 HB3 HIS 77 3HB HIS 77 7.001 42.680 -4.051
631 HD1 HIS 77 HD1 HIS 77 10.215 44.080 -5.385
632 HD2 HIS 77 HD2 HIS 77 6.574 45.477 -3.944
633 HE1 HIS 77 HE1 HIS 77 10.106 46.501 -6.040
634 HE2 HIS 77 HE2 HIS 77 7.960 47.350 -5.045
Start of MODEL 7
1 H1 MET 1 1H MET 1 1.504 14.772 -6.165
2 H2 MET 1 2H MET 1 1.734 14.296 -4.564
3 H3 MET 1 3H MET 1 0.328 15.119 -5.010
4 HA MET 1 HA MET 1 -0.132 12.804 -4.696
5 HB2 MET 1 2HB MET 1 -0.194 13.625 -7.639
6 HB3 MET 1 3HB MET 1 -1.177 12.358 -6.917
7 HG2 MET 1 2HG MET 1 -1.378 15.244 -6.035
8 HG3 MET 1 3HG MET 1 -2.307 14.593 -7.379
9 HE1 MET 1 3HE MET 1 -3.098 13.773 -2.899
10 HE2 MET 1 1HE MET 1 -2.083 15.055 -3.554
11 HE3 MET 1 2HE MET 1 -1.501 13.387 -3.538
12 H VAL 2 H VAL 2 1.207 11.207 -4.258
13 HA VAL 2 HA VAL 2 3.279 10.269 -6.127
14 HB VAL 2 HB VAL 2 2.858 9.682 -3.148
15 HG11 VAL 2 1HG1 VAL 2 3.897 7.743 -4.258
16 HG12 VAL 2 2HG1 VAL 2 5.053 8.547 -3.195
17 HG13 VAL 2 3HG1 VAL 2 5.144 8.788 -4.940
18 HG21 VAL 2 3HG2 VAL 2 4.976 11.389 -4.505
19 HG22 VAL 2 1HG2 VAL 2 4.882 11.044 -2.775
20 HG23 VAL 2 2HG2 VAL 2 3.613 11.991 -3.557
21 H ASP 3 H ASP 3 3.034 8.286 -7.080
22 HA ASP 3 HA ASP 3 0.636 6.682 -6.403
23 HB2 ASP 3 2HB ASP 3 0.706 7.381 -8.751
24 HB3 ASP 3 3HB ASP 3 2.332 6.736 -8.941
25 H LEU 4 H LEU 4 1.231 5.310 -4.833
26 HA LEU 4 HA LEU 4 3.666 3.688 -5.039
27 HB2 LEU 4 2HB LEU 4 1.426 3.706 -2.960
28 HB3 LEU 4 3HB LEU 4 2.898 2.749 -2.851
29 HG LEU 4 HG LEU 4 2.758 5.795 -2.789
30 HD11 LEU 4 1HD1 LEU 4 3.364 3.834 -0.556
31 HD12 LEU 4 2HD1 LEU 4 1.886 4.780 -0.738
32 HD13 LEU 4 3HD1 LEU 4 3.417 5.597 -0.443
33 HD21 LEU 4 3HD2 LEU 4 5.154 5.719 -2.231
34 HD22 LEU 4 1HD2 LEU 4 4.837 5.059 -3.834
35 HD23 LEU 4 2HD2 LEU 4 5.163 3.970 -2.482
36 H LYS 5 H LYS 5 3.487 2.099 -6.485
37 HA LYS 5 HA LYS 5 0.936 0.658 -6.881
38 HB2 LYS 5 2HB LYS 5 2.240 1.759 -8.824
39 HB3 LYS 5 3HB LYS 5 3.463 0.515 -8.592
40 HG2 LYS 5 2HG LYS 5 1.779 -1.231 -9.106
41 HG3 LYS 5 3HG LYS 5 0.551 0.024 -9.305
42 HD2 LYS 5 2HD LYS 5 1.305 -0.619 -11.504
43 HD3 LYS 5 3HD LYS 5 1.928 0.998 -11.172
44 HE2 LYS 5 2HE LYS 5 3.658 -0.323 -12.236
45 HE3 LYS 5 3HE LYS 5 4.132 -0.039 -10.558
46 HZ1 LYS 5 3HZ LYS 5 3.316 -2.262 -10.018
47 HZ2 LYS 5 1HZ LYS 5 4.508 -2.326 -11.208
48 HZ3 LYS 5 2HZ LYS 5 2.887 -2.515 -11.630
49 H ILE 6 H ILE 6 0.804 -1.090 -5.570
50 HA ILE 6 HA ILE 6 3.255 -2.363 -4.510
51 HB ILE 6 HB ILE 6 0.387 -2.489 -3.447
52 HG12 ILE 6 2HG1 ILE 6 1.209 -0.179 -3.243
53 HG13 ILE 6 3HG1 ILE 6 1.141 -0.918 -1.648
54 HG21 ILE 6 1HG2 ILE 6 2.981 -3.419 -2.151
55 HG22 ILE 6 2HG2 ILE 6 1.677 -4.448 -2.753
56 HG23 ILE 6 3HG2 ILE 6 1.397 -3.395 -1.364
57 HD11 ILE 6 3HD1 ILE 6 3.618 -0.475 -3.304
58 HD12 ILE 6 1HD1 ILE 6 3.573 -1.258 -1.721
59 HD13 ILE 6 2HD1 ILE 6 3.112 0.436 -1.883
60 H ASP 7 H ASP 7 3.781 -4.041 -5.859
61 HA ASP 7 HA ASP 7 1.872 -5.683 -7.236
62 HB2 ASP 7 2HB ASP 7 4.199 -5.247 -8.063
63 HB3 ASP 7 3HB ASP 7 4.851 -6.157 -6.703
64 H VAL 8 H VAL 8 0.652 -7.234 -6.268
65 HA VAL 8 HA VAL 8 1.557 -8.394 -3.681
66 HB VAL 8 HB VAL 8 -0.833 -8.845 -3.163
67 HG11 VAL 8 1HG1 VAL 8 0.203 -6.797 -2.305
68 HG12 VAL 8 2HG1 VAL 8 -1.506 -6.523 -2.644
69 HG13 VAL 8 3HG1 VAL 8 -0.276 -5.912 -3.757
70 HG21 VAL 8 3HG2 VAL 8 -1.506 -7.263 -5.681
71 HG22 VAL 8 1HG2 VAL 8 -2.668 -7.818 -4.468
72 HG23 VAL 8 2HG2 VAL 8 -1.773 -8.990 -5.437
73 H SER 9 H SER 9 1.416 -10.592 -3.389
74 HA SER 9 HA SER 9 1.483 -12.270 -5.795
75 HB2 SER 9 2HB SER 9 2.337 -12.831 -2.919
76 HB3 SER 9 3HB SER 9 2.604 -13.911 -4.291
77 HG SER 9 HG SER 9 4.211 -12.701 -4.950
78 H ASP 10 H ASP 10 -0.719 -11.429 -3.342
79 HA ASP 10 HA ASP 10 -2.449 -13.704 -3.881
80 HB2 ASP 10 2HB ASP 10 -0.905 -14.517 -2.082
81 HB3 ASP 10 3HB ASP 10 -1.394 -13.172 -1.060
82 H ASP 11 H ASP 11 -4.585 -13.446 -2.817
83 HA ASP 11 HA ASP 11 -5.495 -10.686 -3.170
84 HB2 ASP 11 2HB ASP 11 -7.750 -11.627 -3.385
85 HB3 ASP 11 3HB ASP 11 -6.628 -12.476 -4.438
86 H GLU 12 H GLU 12 -5.526 -13.198 -0.621
87 HA GLU 12 HA GLU 12 -6.831 -11.746 1.431
88 HB2 GLU 12 2HB GLU 12 -6.412 -14.064 1.830
89 HB3 GLU 12 3HB GLU 12 -4.718 -13.915 1.414
90 HG2 GLU 12 2HG GLU 12 -4.816 -14.307 3.755
91 HG3 GLU 12 3HG GLU 12 -4.365 -12.616 3.544
92 H GLU 13 H GLU 13 -3.473 -11.868 0.352
93 HA GLU 13 HA GLU 13 -2.260 -10.144 2.218
94 HB2 GLU 13 2HB GLU 13 -1.007 -11.669 0.744
95 HB3 GLU 13 3HB GLU 13 -1.504 -10.747 -0.676
96 HG2 GLU 13 2HG GLU 13 -0.250 -8.778 0.191
97 HG3 GLU 13 3HG GLU 13 0.260 -9.731 1.582
98 H ALA 14 H ALA 14 -3.811 -9.536 -0.892
99 HA ALA 14 HA ALA 14 -3.355 -6.779 -1.163
100 HB1 ALA 14 3HB ALA 14 -5.659 -8.463 -2.199
101 HB2 ALA 14 1HB ALA 14 -4.113 -8.186 -3.006
102 HB3 ALA 14 2HB ALA 14 -5.234 -6.843 -2.767
103 H GLU 15 H GLU 15 -6.169 -8.507 0.240
104 HA GLU 15 HA GLU 15 -7.702 -6.434 1.187
105 HB2 GLU 15 2HB GLU 15 -7.103 -9.135 2.451
106 HB3 GLU 15 3HB GLU 15 -8.309 -8.043 3.122
107 HG2 GLU 15 2HG GLU 15 -8.377 -9.255 0.345
108 HG3 GLU 15 3HG GLU 15 -9.316 -9.804 1.735
109 H LYS 16 H LYS 16 -4.893 -7.916 2.725
110 HA LYS 16 HA LYS 16 -5.078 -6.535 5.196
111 HB2 LYS 16 2HB LYS 16 -2.751 -8.039 3.945
112 HB3 LYS 16 3HB LYS 16 -2.817 -7.495 5.621
113 HG2 LYS 16 2HG LYS 16 -4.694 -8.999 6.088
114 HG3 LYS 16 3HG LYS 16 -4.771 -9.469 4.388
115 HD2 LYS 16 2HD LYS 16 -3.639 -11.222 5.613
116 HD3 LYS 16 3HD LYS 16 -2.457 -10.408 4.584
117 HE2 LYS 16 2HE LYS 16 -1.540 -10.865 6.814
118 HE3 LYS 16 3HE LYS 16 -1.645 -9.123 6.535
119 HZ1 LYS 16 3HZ LYS 16 -3.633 -10.734 8.051
120 HZ2 LYS 16 1HZ LYS 16 -3.659 -9.057 7.848
121 HZ3 LYS 16 2HZ LYS 16 -2.428 -9.780 8.751
122 H ILE 17 H ILE 17 -3.313 -5.876 2.154
123 HA ILE 17 HA ILE 17 -1.670 -3.745 3.029
124 HB ILE 17 HB ILE 17 -2.954 -4.198 0.279
125 HG12 ILE 17 2HG1 ILE 17 -1.365 -5.986 0.979
126 HG13 ILE 17 3HG1 ILE 17 -0.741 -5.079 -0.396
127 HG21 ILE 17 1HG2 ILE 17 -1.238 -2.622 -0.634
128 HG22 ILE 17 2HG2 ILE 17 -0.748 -2.223 1.015
129 HG23 ILE 17 3HG2 ILE 17 -2.374 -1.823 0.458
130 HD11 ILE 17 3HD1 ILE 17 0.086 -4.650 2.471
131 HD12 ILE 17 1HD1 ILE 17 0.768 -3.859 1.046
132 HD13 ILE 17 2HD1 ILE 17 0.960 -5.595 1.275
133 H ILE 18 H ILE 18 -4.876 -3.686 1.497
134 HA ILE 18 HA ILE 18 -5.376 -0.927 1.525
135 HB ILE 18 HB ILE 18 -7.325 -3.279 1.556
136 HG12 ILE 18 2HG1 ILE 18 -6.082 -1.704 -0.749
137 HG13 ILE 18 3HG1 ILE 18 -5.735 -3.373 -0.321
138 HG21 ILE 18 1HG2 ILE 18 -7.892 -0.401 0.756
139 HG22 ILE 18 2HG2 ILE 18 -8.516 -1.214 2.191
140 HG23 ILE 18 3HG2 ILE 18 -9.013 -1.756 0.587
141 HD11 ILE 18 3HD1 ILE 18 -8.333 -2.308 -1.404
142 HD12 ILE 18 1HD1 ILE 18 -8.033 -3.979 -0.913
143 HD13 ILE 18 2HD1 ILE 18 -7.131 -3.278 -2.254
144 H ARG 19 H ARG 19 -6.230 -3.452 3.844
145 HA ARG 19 HA ARG 19 -7.740 -1.926 5.663
146 HB2 ARG 19 2HB ARG 19 -7.677 -4.467 5.461
147 HB3 ARG 19 3HB ARG 19 -6.122 -4.439 6.289
148 HG2 ARG 19 2HG ARG 19 -7.218 -3.441 8.287
149 HG3 ARG 19 3HG ARG 19 -8.766 -3.471 7.438
150 HD2 ARG 19 2HD ARG 19 -8.445 -6.005 7.215
151 HD3 ARG 19 3HD ARG 19 -7.106 -5.839 8.356
152 HE ARG 19 HE ARG 19 -9.928 -5.753 8.913
153 HH11 ARG 19 1HH1 ARG 19 -6.803 -4.733 10.163
154 HH12 ARG 19 2HH1 ARG 19 -7.367 -4.616 11.795
155 HH21 ARG 19 1HH2 ARG 19 -10.643 -5.584 11.060
156 HH22 ARG 19 2HH2 ARG 19 -9.531 -5.093 12.304
157 H GLU 20 H GLU 20 -4.306 -2.899 5.658
158 HA GLU 20 HA GLU 20 -3.511 -1.823 8.117
159 HB2 GLU 20 2HB GLU 20 -2.191 -3.475 6.891
160 HB3 GLU 20 3HB GLU 20 -1.926 -2.344 5.570
161 HG2 GLU 20 2HG GLU 20 0.090 -2.554 6.900
162 HG3 GLU 20 3HG GLU 20 -0.562 -0.928 7.057
163 H ILE 21 H ILE 21 -3.411 -0.381 4.859
164 HA ILE 21 HA ILE 21 -2.144 2.039 5.633
165 HB ILE 21 HB ILE 21 -3.890 1.479 3.203
166 HG12 ILE 21 2HG1 ILE 21 -1.931 -0.011 3.229
167 HG13 ILE 21 3HG1 ILE 21 -1.748 1.188 1.960
168 HG21 ILE 21 1HG2 ILE 21 -2.782 3.432 2.175
169 HG22 ILE 21 2HG2 ILE 21 -1.956 3.768 3.695
170 HG23 ILE 21 3HG2 ILE 21 -3.715 3.888 3.601
171 HD11 ILE 21 3HD1 ILE 21 -0.173 2.434 3.391
172 HD12 ILE 21 1HD1 ILE 21 0.346 0.780 3.070
173 HD13 ILE 21 2HD1 ILE 21 -0.347 1.192 4.637
174 H ARG 22 H ARG 22 -5.529 1.003 5.430
175 HA ARG 22 HA ARG 22 -6.637 3.628 5.967
176 HB2 ARG 22 2HB ARG 22 -7.886 0.859 5.853
177 HB3 ARG 22 3HB ARG 22 -8.817 2.297 6.272
178 HG2 ARG 22 2HG ARG 22 -8.335 3.284 4.072
179 HG3 ARG 22 3HG ARG 22 -7.349 1.882 3.641
180 HD2 ARG 22 2HD ARG 22 -9.316 0.421 3.780
181 HD3 ARG 22 3HD ARG 22 -10.318 1.780 4.304
182 HE ARG 22 HE ARG 22 -9.184 2.491 1.867
183 HH11 ARG 22 1HH1 ARG 22 -11.464 0.048 3.026
184 HH12 ARG 22 2HH1 ARG 22 -12.310 -0.038 1.512
185 HH21 ARG 22 1HH2 ARG 22 -10.325 2.361 -0.093
186 HH22 ARG 22 2HH2 ARG 22 -11.665 1.266 -0.241
187 H GLU 23 H GLU 23 -5.252 1.183 7.966
188 HA GLU 23 HA GLU 23 -6.783 1.577 10.365
189 HB2 GLU 23 2HB GLU 23 -3.985 0.446 9.875
190 HB3 GLU 23 3HB GLU 23 -4.677 0.567 11.487
191 HG2 GLU 23 2HG GLU 23 -5.782 -1.081 9.201
192 HG3 GLU 23 3HG GLU 23 -4.879 -1.700 10.577
193 H GLN 24 H GLN 24 -3.739 2.834 9.092
194 HA GLN 24 HA GLN 24 -3.306 4.620 11.389
195 HB2 GLN 24 2HB GLN 24 -1.519 3.954 9.008
196 HB3 GLN 24 3HB GLN 24 -1.041 4.936 10.392
197 HG2 GLN 24 2HG GLN 24 -1.200 3.025 11.887
198 HG3 GLN 24 3HG GLN 24 -1.887 2.024 10.606
199 HE21 GLN 24 1HE2 GLN 24 -0.523 1.135 9.042
200 HE22 GLN 24 2HE2 GLN 24 1.201 1.206 9.154
201 H TRP 25 H TRP 25 -3.759 4.749 7.875
202 HA TRP 25 HA TRP 25 -4.321 7.676 8.016
203 HB2 TRP 25 2HB TRP 25 -3.291 6.197 5.551
204 HB3 TRP 25 3HB TRP 25 -3.429 7.939 5.775
205 HD1 TRP 25 HD1 TRP 25 -1.485 9.128 7.280
206 HE1 TRP 25 HE1 TRP 25 0.862 8.333 7.962
207 HE3 TRP 25 HE3 TRP 25 -1.896 4.177 6.052
208 HZ2 TRP 25 HZ2 TRP 25 2.332 5.930 7.985
209 HZ3 TRP 25 HZ3 TRP 25 0.026 2.694 6.424
210 HH2 TRP 25 HH2 TRP 25 2.108 3.557 7.371
211 HA PRO 26 HA PRO 26 -8.374 5.823 6.578
212 HB2 PRO 26 2HB PRO 26 -9.880 7.953 7.573
213 HB3 PRO 26 3HB PRO 26 -9.470 6.502 8.513
214 HG2 PRO 26 2HG PRO 26 -8.091 9.177 8.505
215 HG3 PRO 26 3HG PRO 26 -8.554 8.161 9.886
216 HD2 PRO 26 2HD PRO 26 -6.021 8.182 9.005
217 HD3 PRO 26 3HD PRO 26 -6.770 6.664 9.554
218 H LYS 27 H LYS 27 -6.860 8.995 6.237
219 HA LYS 27 HA LYS 27 -8.591 9.870 4.068
220 HB2 LYS 27 2HB LYS 27 -6.155 11.124 5.380
221 HB3 LYS 27 3HB LYS 27 -6.873 11.810 3.933
222 HG2 LYS 27 2HG LYS 27 -7.713 13.060 5.756
223 HG3 LYS 27 3HG LYS 27 -9.042 12.036 5.209
224 HD2 LYS 27 2HD LYS 27 -8.606 10.479 7.082
225 HD3 LYS 27 3HD LYS 27 -7.259 11.494 7.611
226 HE2 LYS 27 2HE LYS 27 -9.241 11.939 8.976
227 HE3 LYS 27 3HE LYS 27 -8.842 13.365 8.014
228 HZ1 LYS 27 3HZ LYS 27 -10.591 12.771 6.459
229 HZ2 LYS 27 1HZ LYS 27 -11.224 12.882 8.024
230 HZ3 LYS 27 2HZ LYS 27 -10.939 11.366 7.334
231 H ALA 28 H ALA 28 -5.691 8.027 4.283
232 HA ALA 28 HA ALA 28 -4.453 8.561 1.810
233 HB1 ALA 28 3HB ALA 28 -4.554 5.935 3.345
234 HB2 ALA 28 1HB ALA 28 -3.364 7.223 3.538
235 HB3 ALA 28 2HB ALA 28 -3.431 6.313 2.032
236 H THR 29 H THR 29 -5.307 8.373 -0.189
237 HA THR 29 HA THR 29 -7.779 7.013 -0.677
238 HB THR 29 HB THR 29 -5.878 8.394 -2.616
239 HG1 THR 29 HG1 THR 29 -7.062 9.559 -0.726
240 HG21 THR 29 3HG2 THR 29 -7.449 6.901 -3.815
241 HG22 THR 29 1HG2 THR 29 -7.859 8.596 -4.098
242 HG23 THR 29 2HG2 THR 29 -8.813 7.635 -2.967
243 H VAL 30 H VAL 30 -7.621 4.836 -0.609
244 HA VAL 30 HA VAL 30 -5.552 3.395 -2.136
245 HB VAL 30 HB VAL 30 -7.713 2.150 -0.357
246 HG11 VAL 30 1HG1 VAL 30 -5.073 1.054 -1.401
247 HG12 VAL 30 2HG1 VAL 30 -6.681 0.623 -1.990
248 HG13 VAL 30 3HG1 VAL 30 -6.200 0.196 -0.347
249 HG21 VAL 30 3HG2 VAL 30 -6.339 3.674 1.034
250 HG22 VAL 30 1HG2 VAL 30 -4.870 2.870 0.474
251 HG23 VAL 30 2HG2 VAL 30 -6.046 1.985 1.454
252 H THR 31 H THR 31 -6.106 3.198 -4.241
253 HA THR 31 HA THR 31 -8.886 2.792 -5.092
254 HB THR 31 HB THR 31 -6.316 3.199 -6.702
255 HG1 THR 31 HG1 THR 31 -8.289 4.943 -5.690
256 HG21 THR 31 3HG2 THR 31 -8.020 2.006 -8.048
257 HG22 THR 31 1HG2 THR 31 -7.791 3.660 -8.627
258 HG23 THR 31 2HG2 THR 31 -9.208 3.254 -7.657
259 H ARG 32 H ARG 32 -9.562 0.814 -6.037
260 HA ARG 32 HA ARG 32 -8.005 -1.512 -5.249
261 HB2 ARG 32 2HB ARG 32 -10.501 -1.206 -4.793
262 HB3 ARG 32 3HB ARG 32 -10.777 -1.361 -6.521
263 HG2 ARG 32 2HG ARG 32 -11.253 -3.477 -5.467
264 HG3 ARG 32 3HG ARG 32 -9.778 -3.665 -6.423
265 HD2 ARG 32 2HD ARG 32 -8.438 -3.361 -4.337
266 HD3 ARG 32 3HD ARG 32 -9.941 -3.255 -3.414
267 HE ARG 32 HE ARG 32 -9.323 -5.663 -4.999
268 HH11 ARG 32 1HH1 ARG 32 -9.959 -4.208 -1.860
269 HH12 ARG 32 2HH1 ARG 32 -10.082 -5.743 -1.052
270 HH21 ARG 32 1HH2 ARG 32 -9.404 -7.647 -3.903
271 HH22 ARG 32 2HH2 ARG 32 -9.766 -7.676 -2.206
272 H THR 33 H THR 33 -6.661 -2.449 -6.713
273 HA THR 33 HA THR 33 -7.317 -2.483 -9.572
274 HB THR 33 HB THR 33 -4.607 -1.553 -8.499
275 HG1 THR 33 HG1 THR 33 -6.862 -0.213 -9.432
276 HG21 THR 33 3HG2 THR 33 -4.014 -1.158 -10.869
277 HG22 THR 33 1HG2 THR 33 -5.553 -1.857 -11.379
278 HG23 THR 33 2HG2 THR 33 -4.342 -2.867 -10.582
279 H ASN 34 H ASN 34 -6.918 -4.508 -10.411
280 HA ASN 34 HA ASN 34 -6.033 -6.663 -8.754
281 HB2 ASN 34 2HB ASN 34 -7.741 -6.977 -10.516
282 HB3 ASN 34 3HB ASN 34 -6.580 -6.529 -11.759
283 HD21 ASN 34 1HD2 ASN 34 -7.498 -9.021 -9.466
284 HD22 ASN 34 2HD2 ASN 34 -6.618 -10.309 -10.213
285 H GLY 35 H GLY 35 -4.181 -8.121 -9.340
286 HA2 GLY 35 2HA GLY 35 -1.924 -8.468 -9.488
287 HA3 GLY 35 3HA GLY 35 -1.868 -7.199 -10.694
288 H ASP 36 H ASP 36 -2.345 -4.941 -9.469
289 HA ASP 36 HA ASP 36 -0.375 -4.704 -7.265
290 HB2 ASP 36 2HB ASP 36 -0.827 -2.842 -9.656
291 HB3 ASP 36 3HB ASP 36 0.202 -2.456 -8.280
292 H ILE 37 H ILE 37 -1.000 -3.425 -5.577
293 HA ILE 37 HA ILE 37 -3.674 -2.261 -5.530
294 HB ILE 37 HB ILE 37 -1.599 -2.573 -3.295
295 HG12 ILE 37 2HG1 ILE 37 -2.547 -4.732 -4.153
296 HG13 ILE 37 3HG1 ILE 37 -2.979 -4.432 -2.474
297 HG21 ILE 37 1HG2 ILE 37 -3.459 -1.995 -1.726
298 HG22 ILE 37 2HG2 ILE 37 -4.493 -1.621 -3.106
299 HG23 ILE 37 3HG2 ILE 37 -3.049 -0.654 -2.800
300 HD11 ILE 37 3HD1 ILE 37 -4.838 -5.354 -3.721
301 HD12 ILE 37 1HD1 ILE 37 -4.768 -4.034 -4.883
302 HD13 ILE 37 2HD1 ILE 37 -5.229 -3.715 -3.205
303 H LYS 38 H LYS 38 -3.890 -0.266 -6.168
304 HA LYS 38 HA LYS 38 -1.685 1.599 -6.437
305 HB2 LYS 38 2HB LYS 38 -3.134 1.345 -8.336
306 HB3 LYS 38 3HB LYS 38 -4.587 1.555 -7.362
307 HG2 LYS 38 2HG LYS 38 -4.034 3.922 -7.012
308 HG3 LYS 38 3HG LYS 38 -2.535 3.732 -7.926
309 HD2 LYS 38 2HD LYS 38 -5.282 3.189 -9.108
310 HD3 LYS 38 3HD LYS 38 -4.493 4.766 -9.182
311 HE2 LYS 38 2HE LYS 38 -3.341 2.200 -10.339
312 HE3 LYS 38 3HE LYS 38 -4.173 3.462 -11.254
313 HZ1 LYS 38 3HZ LYS 38 -1.803 3.762 -11.414
314 HZ2 LYS 38 1HZ LYS 38 -1.642 3.803 -9.732
315 HZ3 LYS 38 2HZ LYS 38 -2.465 5.038 -10.531
316 H LEU 39 H LEU 39 -1.187 2.695 -4.654
317 HA LEU 39 HA LEU 39 -3.277 3.891 -2.922
318 HB2 LEU 39 2HB LEU 39 -1.927 2.311 -1.663
319 HB3 LEU 39 3HB LEU 39 -0.433 2.979 -2.304
320 HG LEU 39 HG LEU 39 -0.816 5.083 -1.017
321 HD11 LEU 39 1HD1 LEU 39 -2.582 5.219 0.681
322 HD12 LEU 39 2HD1 LEU 39 -3.254 3.688 0.114
323 HD13 LEU 39 3HD1 LEU 39 -3.250 5.099 -0.948
324 HD21 LEU 39 3HD2 LEU 39 -0.367 4.170 1.218
325 HD22 LEU 39 1HD2 LEU 39 0.537 3.313 -0.030
326 HD23 LEU 39 2HD2 LEU 39 -0.901 2.575 0.680
327 H ASP 40 H ASP 40 -3.233 6.084 -2.663
328 HA ASP 40 HA ASP 40 -1.170 7.675 -4.067
329 HB2 ASP 40 2HB ASP 40 -3.464 8.171 -4.804
330 HB3 ASP 40 3HB ASP 40 -3.977 8.432 -3.143
331 H ALA 41 H ALA 41 0.389 8.334 -2.754
332 HA ALA 41 HA ALA 41 -0.138 9.159 0.023
333 HB1 ALA 41 3HB ALA 41 2.471 8.958 -1.542
334 HB2 ALA 41 1HB ALA 41 1.866 7.788 -0.368
335 HB3 ALA 41 2HB ALA 41 2.334 9.404 0.161
336 H GLN 42 H GLN 42 -0.247 11.282 0.576
337 HA GLN 42 HA GLN 42 -0.594 13.346 -1.333
338 HB2 GLN 42 2HB GLN 42 -1.620 13.361 0.932
339 HB3 GLN 42 3HB GLN 42 -0.029 13.523 1.662
340 HG2 GLN 42 2HG GLN 42 -1.106 15.675 1.718
341 HG3 GLN 42 3HG GLN 42 0.206 15.753 0.545
342 HE21 GLN 42 1HE2 GLN 42 -0.680 17.490 -0.559
343 HE22 GLN 42 2HE2 GLN 42 -2.106 17.359 -1.527
344 H THR 43 H THR 43 2.074 12.465 0.791
345 HA THR 43 HA THR 43 4.017 13.936 -0.876
346 HB THR 43 HB THR 43 3.684 15.387 1.027
347 HG1 THR 43 HG1 THR 43 5.804 15.417 0.658
348 HG21 THR 43 3HG2 THR 43 2.649 13.848 2.629
349 HG22 THR 43 1HG2 THR 43 4.024 14.668 3.372
350 HG23 THR 43 2HG2 THR 43 4.182 12.997 2.829
351 H GLU 44 H GLU 44 6.184 13.102 -0.761
352 HA GLU 44 HA GLU 44 6.366 10.271 -0.766
353 HB2 GLU 44 2HB GLU 44 8.563 12.377 -0.869
354 HB3 GLU 44 3HB GLU 44 8.837 10.649 -1.112
355 HG2 GLU 44 2HG GLU 44 7.329 10.700 -3.087
356 HG3 GLU 44 3HG GLU 44 7.092 12.429 -2.844
357 H LYS 45 H LYS 45 6.912 12.657 1.707
358 HA LYS 45 HA LYS 45 8.425 11.072 3.536
359 HB2 LYS 45 2HB LYS 45 6.645 13.504 4.001
360 HB3 LYS 45 3HB LYS 45 7.697 12.796 5.231
361 HG2 LYS 45 2HG LYS 45 9.667 13.252 3.798
362 HG3 LYS 45 3HG LYS 45 8.609 13.993 2.592
363 HD2 LYS 45 2HD LYS 45 7.991 15.764 4.172
364 HD3 LYS 45 3HD LYS 45 8.929 14.989 5.455
365 HE2 LYS 45 2HE LYS 45 10.141 16.899 4.475
366 HE3 LYS 45 3HE LYS 45 11.009 15.389 4.194
367 HZ1 LYS 45 3HZ LYS 45 10.984 16.759 2.222
368 HZ2 LYS 45 1HZ LYS 45 9.298 16.813 2.225
369 HZ3 LYS 45 2HZ LYS 45 10.095 15.351 1.943
370 H GLU 46 H GLU 46 4.981 11.447 2.909
371 HA GLU 46 HA GLU 46 4.081 9.879 5.149
372 HB2 GLU 46 2HB GLU 46 2.745 11.630 3.639
373 HB3 GLU 46 3HB GLU 46 2.442 10.237 2.616
374 HG2 GLU 46 2HG GLU 46 0.550 10.501 4.058
375 HG3 GLU 46 3HG GLU 46 1.432 9.077 4.614
376 H ALA 47 H ALA 47 5.034 9.365 1.834
377 HA ALA 47 HA ALA 47 4.123 6.693 1.472
378 HB1 ALA 47 3HB ALA 47 6.283 8.209 -0.020
379 HB2 ALA 47 1HB ALA 47 4.556 8.233 -0.384
380 HB3 ALA 47 2HB ALA 47 5.469 6.736 -0.564
381 H GLU 48 H GLU 48 6.957 8.029 3.027
382 HA GLU 48 HA GLU 48 8.643 5.751 3.034
383 HB2 GLU 48 2HB GLU 48 8.340 7.916 5.166
384 HB3 GLU 48 3HB GLU 48 9.672 6.770 5.075
385 HG2 GLU 48 2HG GLU 48 9.029 8.924 3.052
386 HG3 GLU 48 3HG GLU 48 10.313 8.982 4.254
387 H LYS 49 H LYS 49 5.910 6.709 5.013
388 HA LYS 49 HA LYS 49 6.270 4.625 7.021
389 HB2 LYS 49 2HB LYS 49 3.889 6.470 6.661
390 HB3 LYS 49 3HB LYS 49 4.424 5.679 8.141
391 HG2 LYS 49 2HG LYS 49 6.252 7.202 8.408
392 HG3 LYS 49 3HG LYS 49 6.078 7.823 6.757
393 HD2 LYS 49 2HD LYS 49 3.821 8.720 7.373
394 HD3 LYS 49 3HD LYS 49 4.074 8.175 9.030
395 HE2 LYS 49 2HE LYS 49 5.918 9.735 9.301
396 HE3 LYS 49 3HE LYS 49 5.820 10.196 7.598
397 HZ1 LYS 49 3HZ LYS 49 3.774 10.691 9.693
398 HZ2 LYS 49 1HZ LYS 49 3.539 11.011 8.050
399 HZ3 LYS 49 2HZ LYS 49 4.725 11.847 8.914
400 H MET 50 H MET 50 3.954 5.570 4.597
401 HA MET 50 HA MET 50 2.120 3.509 4.513
402 HB2 MET 50 2HB MET 50 3.206 5.139 2.200
403 HB3 MET 50 3HB MET 50 1.891 3.985 1.998
404 HG2 MET 50 2HG MET 50 0.550 5.237 3.651
405 HG3 MET 50 3HG MET 50 1.861 6.416 3.798
406 HE1 MET 50 3HE MET 50 -0.036 8.309 3.215
407 HE2 MET 50 1HE MET 50 -1.240 7.038 2.994
408 HE3 MET 50 2HE MET 50 -0.999 8.251 1.740
409 H GLU 51 H GLU 51 5.111 3.570 2.491
410 HA GLU 51 HA GLU 51 4.959 0.925 1.584
411 HB2 GLU 51 2HB GLU 51 7.233 1.153 0.869
412 HB3 GLU 51 3HB GLU 51 6.487 2.734 0.698
413 HG2 GLU 51 2HG GLU 51 7.577 3.525 2.691
414 HG3 GLU 51 3HG GLU 51 8.224 1.930 3.046
415 H LYS 52 H LYS 52 6.140 2.161 4.648
416 HA LYS 52 HA LYS 52 7.487 -0.185 5.602
417 HB2 LYS 52 2HB LYS 52 7.857 2.101 6.555
418 HB3 LYS 52 3HB LYS 52 6.215 2.096 7.179
419 HG2 LYS 52 2HG LYS 52 7.738 1.632 8.991
420 HG3 LYS 52 3HG LYS 52 6.815 0.164 8.654
421 HD2 LYS 52 2HD LYS 52 8.724 -0.783 7.420
422 HD3 LYS 52 3HD LYS 52 9.638 0.711 7.638
423 HE2 LYS 52 2HE LYS 52 9.580 0.310 10.122
424 HE3 LYS 52 3HE LYS 52 8.798 -1.244 9.810
425 HZ1 LYS 52 3HZ LYS 52 11.176 -1.528 10.069
426 HZ2 LYS 52 1HZ LYS 52 11.482 -0.416 8.834
427 HZ3 LYS 52 2HZ LYS 52 10.732 -1.887 8.480
428 H ALA 53 H ALA 53 4.197 1.055 5.805
429 HA ALA 53 HA ALA 53 3.090 -0.896 7.544
430 HB1 ALA 53 3HB ALA 53 1.716 0.870 5.492
431 HB2 ALA 53 1HB ALA 53 2.099 1.326 7.156
432 HB3 ALA 53 2HB ALA 53 0.940 0.038 6.842
433 H VAL 54 H VAL 54 3.287 -0.630 3.997
434 HA VAL 54 HA VAL 54 2.022 -2.997 3.239
435 HB VAL 54 HB VAL 54 4.366 -1.500 1.983
436 HG11 VAL 54 1HG1 VAL 54 3.864 -2.656 -0.133
437 HG12 VAL 54 2HG1 VAL 54 2.663 -3.652 0.690
438 HG13 VAL 54 3HG1 VAL 54 4.368 -3.798 1.115
439 HG21 VAL 54 3HG2 VAL 54 2.290 -0.186 2.179
440 HG22 VAL 54 1HG2 VAL 54 1.394 -1.453 1.338
441 HG23 VAL 54 2HG2 VAL 54 2.644 -0.541 0.485
442 H LYS 55 H LYS 55 5.484 -2.455 4.039
443 HA LYS 55 HA LYS 55 6.502 -5.026 3.809
444 HB2 LYS 55 2HB LYS 55 7.287 -2.885 5.828
445 HB3 LYS 55 3HB LYS 55 8.223 -4.351 5.538
446 HG2 LYS 55 2HG LYS 55 8.683 -3.672 3.247
447 HG3 LYS 55 3HG LYS 55 7.635 -2.259 3.417
448 HD2 LYS 55 2HD LYS 55 9.146 -1.350 5.165
449 HD3 LYS 55 3HD LYS 55 10.191 -2.765 4.996
450 HE2 LYS 55 2HE LYS 55 11.137 -0.867 3.789
451 HE3 LYS 55 3HE LYS 55 10.646 -2.115 2.640
452 HZ1 LYS 55 3HZ LYS 55 9.992 0.067 1.882
453 HZ2 LYS 55 1HZ LYS 55 9.123 0.350 3.305
454 HZ3 LYS 55 2HZ LYS 55 8.615 -0.848 2.224
455 H LYS 56 H LYS 56 4.618 -3.670 6.481
456 HA LYS 56 HA LYS 56 5.007 -5.689 8.426
457 HB2 LYS 56 2HB LYS 56 2.595 -3.864 8.025
458 HB3 LYS 56 3HB LYS 56 2.930 -4.797 9.484
459 HG2 LYS 56 2HG LYS 56 4.982 -3.482 9.885
460 HG3 LYS 56 3HG LYS 56 4.705 -2.583 8.391
461 HD2 LYS 56 2HD LYS 56 4.004 -1.260 10.332
462 HD3 LYS 56 3HD LYS 56 2.612 -1.658 9.321
463 HE2 LYS 56 2HE LYS 56 2.138 -1.885 11.746
464 HE3 LYS 56 3HE LYS 56 1.935 -3.411 10.884
465 HZ1 LYS 56 3HZ LYS 56 4.154 -4.061 11.660
466 HZ2 LYS 56 1HZ LYS 56 3.103 -3.765 12.941
467 HZ3 LYS 56 2HZ LYS 56 4.280 -2.628 12.536
468 H VAL 57 H VAL 57 2.755 -5.404 5.746
469 HA VAL 57 HA VAL 57 1.251 -7.819 6.301
470 HB VAL 57 HB VAL 57 1.379 -6.040 3.817
471 HG11 VAL 57 1HG1 VAL 57 0.595 -8.267 3.182
472 HG12 VAL 57 2HG1 VAL 57 -0.745 -7.121 3.128
473 HG13 VAL 57 3HG1 VAL 57 -0.604 -8.249 4.480
474 HG21 VAL 57 3HG2 VAL 57 -0.677 -6.097 6.057
475 HG22 VAL 57 1HG2 VAL 57 -0.769 -5.104 4.599
476 HG23 VAL 57 2HG2 VAL 57 0.521 -4.830 5.774
477 H LYS 58 H LYS 58 4.067 -6.903 4.382
478 HA LYS 58 HA LYS 58 4.481 -9.567 3.357
479 HB2 LYS 58 2HB LYS 58 4.443 -8.892 0.927
480 HB3 LYS 58 3HB LYS 58 2.867 -8.951 1.697
481 HG2 LYS 58 2HG LYS 58 2.930 -6.452 1.906
482 HG3 LYS 58 3HG LYS 58 4.443 -6.449 1.005
483 HD2 LYS 58 2HD LYS 58 1.846 -7.586 -0.105
484 HD3 LYS 58 3HD LYS 58 2.328 -5.907 -0.320
485 HE2 LYS 58 2HE LYS 58 2.865 -7.153 -2.313
486 HE3 LYS 58 3HE LYS 58 4.362 -6.667 -1.524
487 HZ1 LYS 58 3HZ LYS 58 4.599 -8.916 -0.667
488 HZ2 LYS 58 1HZ LYS 58 4.451 -8.946 -2.351
489 HZ3 LYS 58 2HZ LYS 58 3.139 -9.376 -1.375
490 HA PRO 59 HA PRO 59 8.476 -7.458 4.242
491 HB2 PRO 59 2HB PRO 59 9.507 -10.277 4.144
492 HB3 PRO 59 3HB PRO 59 9.641 -9.066 5.437
493 HG2 PRO 59 2HG PRO 59 8.005 -11.160 5.715
494 HG3 PRO 59 3HG PRO 59 7.544 -9.550 6.319
495 HD2 PRO 59 2HD PRO 59 6.670 -10.919 3.764
496 HD3 PRO 59 3HD PRO 59 5.693 -10.032 4.962
497 H ASN 60 H ASN 60 7.600 -9.568 1.630
498 HA ASN 60 HA ASN 60 10.029 -8.986 0.054
499 HB2 ASN 60 2HB ASN 60 7.689 -10.872 -0.482
500 HB3 ASN 60 3HB ASN 60 9.106 -10.710 -1.516
501 HD21 ASN 60 1HD2 ASN 60 11.111 -11.584 -0.794
502 HD22 ASN 60 2HD2 ASN 60 11.189 -12.691 0.533
503 H ALA 61 H ALA 61 7.713 -7.078 0.694
504 HA ALA 61 HA ALA 61 6.173 -6.407 -1.477
505 HB1 ALA 61 3HB ALA 61 7.468 -4.502 0.506
506 HB2 ALA 61 1HB ALA 61 5.957 -5.383 0.756
507 HB3 ALA 61 2HB ALA 61 6.058 -4.143 -0.496
508 H THR 62 H THR 62 6.826 -6.108 -3.537
509 HA THR 62 HA THR 62 9.208 -4.523 -4.213
510 HB THR 62 HB THR 62 7.240 -5.950 -6.065
511 HG1 THR 62 HG1 THR 62 8.943 -7.049 -4.396
512 HG21 THR 62 3HG2 THR 62 10.054 -4.892 -6.577
513 HG22 THR 62 1HG2 THR 62 8.555 -4.197 -7.221
514 HG23 THR 62 2HG2 THR 62 9.077 -5.805 -7.724
515 H ILE 63 H ILE 63 8.765 -2.436 -3.899
516 HA ILE 63 HA ILE 63 6.072 -1.326 -4.361
517 HB ILE 63 HB ILE 63 8.347 -0.369 -2.547
518 HG12 ILE 63 2HG1 ILE 63 5.639 -1.547 -1.790
519 HG13 ILE 63 3HG1 ILE 63 7.124 -2.483 -1.862
520 HG21 ILE 63 1HG2 ILE 63 6.741 1.296 -1.646
521 HG22 ILE 63 2HG2 ILE 63 5.560 0.809 -2.864
522 HG23 ILE 63 3HG2 ILE 63 7.072 1.571 -3.360
523 HD11 ILE 63 3HD1 ILE 63 6.644 -1.960 0.392
524 HD12 ILE 63 1HD1 ILE 63 6.463 -0.247 0.027
525 HD13 ILE 63 2HD1 ILE 63 8.049 -1.012 -0.093
526 H ARG 64 H ARG 64 5.815 0.045 -6.003
527 HA ARG 64 HA ARG 64 8.156 1.343 -7.256
528 HB2 ARG 64 2HB ARG 64 5.334 0.911 -8.335
529 HB3 ARG 64 3HB ARG 64 6.619 1.755 -9.197
530 HG2 ARG 64 2HG ARG 64 6.657 -1.166 -8.373
531 HG3 ARG 64 3HG ARG 64 6.340 -0.560 -9.998
532 HD2 ARG 64 2HD ARG 64 8.632 0.297 -10.165
533 HD3 ARG 64 3HD ARG 64 8.959 -0.161 -8.488
534 HE ARG 64 HE ARG 64 8.184 -2.485 -9.703
535 HH11 ARG 64 1HH1 ARG 64 10.761 -0.160 -10.304
536 HH12 ARG 64 2HH1 ARG 64 11.831 -1.347 -10.981
537 HH21 ARG 64 1HH2 ARG 64 9.598 -4.029 -10.591
538 HH22 ARG 64 2HH2 ARG 64 11.171 -3.537 -11.147
539 H LYS 65 H LYS 65 8.493 3.324 -6.558
540 HA LYS 65 HA LYS 65 6.234 5.033 -5.685
541 HB2 LYS 65 2HB LYS 65 7.810 4.560 -3.858
542 HB3 LYS 65 3HB LYS 65 9.164 5.115 -4.839
543 HG2 LYS 65 2HG LYS 65 8.208 7.410 -4.860
544 HG3 LYS 65 3HG LYS 65 6.846 6.851 -3.885
545 HD2 LYS 65 2HD LYS 65 9.762 6.812 -3.014
546 HD3 LYS 65 3HD LYS 65 8.577 8.025 -2.528
547 HE2 LYS 65 2HE LYS 65 7.247 6.255 -1.411
548 HE3 LYS 65 3HE LYS 65 8.451 5.055 -1.887
549 HZ1 LYS 65 3HZ LYS 65 8.960 7.398 -0.123
550 HZ2 LYS 65 1HZ LYS 65 10.096 6.230 -0.577
551 HZ3 LYS 65 2HZ LYS 65 8.777 5.798 0.390
552 H THR 66 H THR 66 5.735 6.445 -7.192
553 HA THR 66 HA THR 66 7.767 7.632 -8.984
554 HB THR 66 HB THR 66 5.666 8.678 -10.061
555 HG1 THR 66 HG1 THR 66 4.202 6.628 -8.787
556 HG21 THR 66 3HG2 THR 66 5.845 5.639 -10.070
557 HG22 THR 66 1HG2 THR 66 6.793 6.732 -11.086
558 HG23 THR 66 2HG2 THR 66 5.045 6.632 -11.290
559 H GLY 67 H GLY 67 7.243 10.117 -9.340
560 HA2 GLY 67 2HA GLY 67 6.618 12.203 -8.267
561 HA3 GLY 67 3HA GLY 67 6.927 11.457 -6.702
562 H GLY 68 H GLY 68 9.327 10.285 -6.942
563 HA2 GLY 68 2HA GLY 68 11.194 12.528 -7.437
564 HA3 GLY 68 3HA GLY 68 11.474 11.144 -6.391
565 H SER 69 H SER 69 10.377 11.340 -9.777
566 HA SER 69 HA SER 69 12.274 9.242 -10.560
567 HB2 SER 69 2HB SER 69 11.016 9.331 -12.732
568 HB3 SER 69 3HB SER 69 9.947 9.076 -11.348
569 HG SER 69 HG SER 69 8.945 10.697 -12.309
570 H LEU 70 H LEU 70 13.230 9.644 -12.922
571 HA LEU 70 HA LEU 70 14.794 12.118 -12.924
572 HB2 LEU 70 2HB LEU 70 14.848 9.681 -14.763
573 HB3 LEU 70 3HB LEU 70 15.859 11.092 -15.011
574 HG LEU 70 HG LEU 70 17.241 9.425 -14.007
575 HD11 LEU 70 1HD1 LEU 70 18.010 10.457 -11.951
576 HD12 LEU 70 2HD1 LEU 70 16.507 11.373 -11.809
577 HD13 LEU 70 3HD1 LEU 70 17.610 11.681 -13.155
578 HD21 LEU 70 3HD2 LEU 70 15.178 9.049 -11.809
579 HD22 LEU 70 1HD2 LEU 70 16.761 8.266 -11.889
580 HD23 LEU 70 2HD2 LEU 70 15.542 7.915 -13.111
581 H GLU 71 H GLU 71 14.336 13.834 -14.163
582 HA GLU 71 HA GLU 71 11.932 14.112 -15.604
583 HB2 GLU 71 2HB GLU 71 13.487 15.920 -14.460
584 HB3 GLU 71 3HB GLU 71 14.318 15.961 -16.007
585 HG2 GLU 71 2HG GLU 71 11.408 16.654 -15.473
586 HG3 GLU 71 3HG GLU 71 12.700 17.789 -15.846
587 H HIS 72 H HIS 72 11.501 13.409 -17.596
588 HA HIS 72 HA HIS 72 13.487 12.073 -19.182
589 HB2 HIS 72 2HB HIS 72 10.517 12.498 -19.749
590 HB3 HIS 72 3HB HIS 72 11.596 11.418 -20.641
591 HD1 HIS 72 HD1 HIS 72 9.716 11.731 -17.431
592 HD2 HIS 72 HD2 HIS 72 12.279 9.019 -19.246
593 HE1 HIS 72 HE1 HIS 72 9.574 9.650 -16.043
594 HE2 HIS 72 HE2 HIS 72 11.023 7.987 -17.253
595 H HIS 73 H HIS 73 14.874 13.688 -19.819
596 HA HIS 73 HA HIS 73 14.054 15.823 -21.616
597 HB2 HIS 73 2HB HIS 73 16.809 14.777 -20.798
598 HB3 HIS 73 3HB HIS 73 16.564 16.134 -21.893
599 HD1 HIS 73 HD1 HIS 73 16.153 15.168 -18.269
600 HD2 HIS 73 HD2 HIS 73 15.959 18.559 -20.667
601 HE1 HIS 73 HE1 HIS 73 16.099 17.110 -16.689
602 HE2 HIS 73 HE2 HIS 73 15.884 19.136 -18.153
603 H HIS 74 H HIS 74 15.640 12.665 -21.805
604 HA HIS 74 HA HIS 74 16.108 12.641 -24.618
605 HB2 HIS 74 2HB HIS 74 16.003 10.370 -22.582
606 HB3 HIS 74 3HB HIS 74 16.495 10.153 -24.256
607 HD1 HIS 74 HD1 HIS 74 18.895 10.682 -24.844
608 HD2 HIS 74 HD2 HIS 74 17.888 11.923 -21.009
609 HE1 HIS 74 HE1 HIS 74 21.047 11.432 -23.786
610 HE2 HIS 74 HE2 HIS 74 20.390 12.254 -21.506
611 H HIS 75 H HIS 75 14.272 13.106 -25.738
612 HA HIS 75 HA HIS 75 11.849 11.453 -25.435
613 HB2 HIS 75 2HB HIS 75 12.329 13.940 -27.147
614 HB3 HIS 75 3HB HIS 75 10.781 13.127 -26.925
615 HD1 HIS 75 HD1 HIS 75 12.111 16.112 -25.924
616 HD2 HIS 75 HD2 HIS 75 10.563 12.952 -23.709
617 HE1 HIS 75 HE1 HIS 75 11.481 17.091 -23.700
618 HE2 HIS 75 HE2 HIS 75 10.674 15.136 -22.351
619 H HIS 76 H HIS 76 10.766 10.928 -27.631
620 HA HIS 76 HA HIS 76 12.426 9.046 -28.988
621 HB2 HIS 76 2HB HIS 76 10.439 8.487 -30.313
622 HB3 HIS 76 3HB HIS 76 9.971 8.704 -28.630
623 HD1 HIS 76 HD1 HIS 76 9.532 10.166 -32.039
624 HD2 HIS 76 HD2 HIS 76 8.303 10.954 -28.147
625 HE1 HIS 76 HE1 HIS 76 7.715 11.884 -32.236
626 HE2 HIS 76 HE2 HIS 76 6.864 12.182 -29.896
627 H HIS 77 H HIS 77 13.214 9.027 -31.062
628 HA HIS 77 HA HIS 77 12.797 11.040 -33.042
629 HB2 HIS 77 2HB HIS 77 14.310 12.368 -31.608
630 HB3 HIS 77 3HB HIS 77 15.492 11.066 -31.603
631 HD1 HIS 77 HD1 HIS 77 17.408 11.639 -33.080
632 HD2 HIS 77 HD2 HIS 77 13.835 13.139 -34.582
633 HE1 HIS 77 HE1 HIS 77 18.011 12.812 -35.211
634 HE2 HIS 77 HE2 HIS 77 15.850 13.771 -36.059
Start of MODEL 8
1 H1 MET 1 1H MET 1 -0.505 12.880 -4.599
2 H2 MET 1 2H MET 1 -1.586 11.582 -4.728
3 H3 MET 1 3H MET 1 -2.133 13.164 -4.958
4 HA MET 1 HA MET 1 -1.901 11.933 -7.013
5 HB2 MET 1 2HB MET 1 -0.683 13.706 -8.247
6 HB3 MET 1 3HB MET 1 -1.772 14.376 -7.045
7 HG2 MET 1 2HG MET 1 0.204 14.676 -5.523
8 HG3 MET 1 3HG MET 1 1.238 14.187 -6.863
9 HE1 MET 1 3HE MET 1 -1.134 16.981 -5.408
10 HE2 MET 1 1HE MET 1 -2.049 16.482 -6.836
11 HE3 MET 1 2HE MET 1 -1.281 18.069 -6.784
12 H VAL 2 H VAL 2 0.302 11.007 -4.848
13 HA VAL 2 HA VAL 2 2.481 10.216 -6.612
14 HB VAL 2 HB VAL 2 1.973 9.150 -3.791
15 HG11 VAL 2 1HG1 VAL 2 4.555 9.391 -5.386
16 HG12 VAL 2 2HG1 VAL 2 3.666 7.899 -5.077
17 HG13 VAL 2 3HG1 VAL 2 4.413 8.772 -3.738
18 HG21 VAL 2 3HG2 VAL 2 3.508 11.664 -4.516
19 HG22 VAL 2 1HG2 VAL 2 3.443 10.924 -2.913
20 HG23 VAL 2 2HG2 VAL 2 1.979 11.588 -3.640
21 H ASP 3 H ASP 3 2.761 8.130 -7.467
22 HA ASP 3 HA ASP 3 0.588 6.162 -6.995
23 HB2 ASP 3 2HB ASP 3 0.801 6.714 -9.383
24 HB3 ASP 3 3HB ASP 3 2.518 6.365 -9.336
25 H LEU 4 H LEU 4 1.170 4.847 -5.431
26 HA LEU 4 HA LEU 4 3.934 3.791 -5.244
27 HB2 LEU 4 2HB LEU 4 1.648 3.567 -3.231
28 HB3 LEU 4 3HB LEU 4 3.296 3.020 -2.980
29 HG LEU 4 HG LEU 4 2.430 5.925 -3.274
30 HD11 LEU 4 1HD1 LEU 4 3.343 4.435 -0.792
31 HD12 LEU 4 2HD1 LEU 4 1.704 5.000 -1.130
32 HD13 LEU 4 3HD1 LEU 4 3.003 6.165 -0.903
33 HD21 LEU 4 3HD2 LEU 4 4.728 6.502 -2.659
34 HD22 LEU 4 1HD2 LEU 4 4.671 5.592 -4.168
35 HD23 LEU 4 2HD2 LEU 4 5.173 4.794 -2.676
36 H LYS 5 H LYS 5 4.106 1.976 -6.408
37 HA LYS 5 HA LYS 5 1.733 0.320 -6.986
38 HB2 LYS 5 2HB LYS 5 3.149 1.422 -8.835
39 HB3 LYS 5 3HB LYS 5 4.431 0.296 -8.404
40 HG2 LYS 5 2HG LYS 5 2.870 -1.598 -8.936
41 HG3 LYS 5 3HG LYS 5 1.677 -0.417 -9.474
42 HD2 LYS 5 2HD LYS 5 4.367 -1.056 -10.709
43 HD3 LYS 5 3HD LYS 5 2.776 -1.199 -11.449
44 HE2 LYS 5 2HE LYS 5 4.276 1.365 -10.813
45 HE3 LYS 5 3HE LYS 5 3.889 0.725 -12.404
46 HZ1 LYS 5 3HZ LYS 5 1.942 1.753 -10.415
47 HZ2 LYS 5 1HZ LYS 5 1.527 1.048 -11.899
48 HZ3 LYS 5 2HZ LYS 5 2.398 2.495 -11.855
49 H ILE 6 H ILE 6 1.604 -1.298 -5.541
50 HA ILE 6 HA ILE 6 4.054 -2.726 -4.662
51 HB ILE 6 HB ILE 6 1.325 -2.665 -3.282
52 HG12 ILE 6 2HG1 ILE 6 2.761 -1.557 -1.363
53 HG13 ILE 6 3HG1 ILE 6 3.892 -1.169 -2.646
54 HG21 ILE 6 1HG2 ILE 6 3.910 -3.986 -2.374
55 HG22 ILE 6 2HG2 ILE 6 2.480 -4.827 -2.976
56 HG23 ILE 6 3HG2 ILE 6 2.403 -3.932 -1.460
57 HD11 ILE 6 3HD1 ILE 6 1.026 -0.253 -2.464
58 HD12 ILE 6 1HD1 ILE 6 2.153 0.156 -3.760
59 HD13 ILE 6 2HD1 ILE 6 2.460 0.711 -2.114
60 H ASP 7 H ASP 7 4.227 -4.845 -5.311
61 HA ASP 7 HA ASP 7 2.265 -6.161 -6.938
62 HB2 ASP 7 2HB ASP 7 3.765 -8.099 -6.834
63 HB3 ASP 7 3HB ASP 7 4.732 -6.641 -7.039
64 H VAL 8 H VAL 8 0.594 -7.529 -6.306
65 HA VAL 8 HA VAL 8 0.814 -8.924 -3.700
66 HB VAL 8 HB VAL 8 -1.709 -8.811 -3.398
67 HG11 VAL 8 1HG1 VAL 8 -0.204 -7.440 -2.019
68 HG12 VAL 8 2HG1 VAL 8 -1.722 -6.599 -2.328
69 HG13 VAL 8 3HG1 VAL 8 -0.265 -6.140 -3.214
70 HG21 VAL 8 3HG2 VAL 8 -2.354 -8.143 -5.679
71 HG22 VAL 8 1HG2 VAL 8 -1.581 -6.574 -5.452
72 HG23 VAL 8 2HG2 VAL 8 -2.993 -7.011 -4.483
73 H SER 9 H SER 9 0.548 -11.053 -3.871
74 HA SER 9 HA SER 9 0.079 -12.291 -6.426
75 HB2 SER 9 2HB SER 9 0.388 -14.439 -5.083
76 HB3 SER 9 3HB SER 9 1.723 -13.291 -4.960
77 HG SER 9 HG SER 9 0.013 -14.214 -3.023
78 H ASP 10 H ASP 10 -1.552 -12.472 -3.258
79 HA ASP 10 HA ASP 10 -3.880 -13.761 -4.494
80 HB2 ASP 10 2HB ASP 10 -3.157 -13.289 -1.567
81 HB3 ASP 10 3HB ASP 10 -4.592 -14.153 -2.117
82 H ASP 11 H ASP 11 -5.983 -13.180 -3.536
83 HA ASP 11 HA ASP 11 -6.594 -10.353 -3.896
84 HB2 ASP 11 2HB ASP 11 -8.947 -11.107 -3.832
85 HB3 ASP 11 3HB ASP 11 -8.012 -12.097 -4.947
86 H GLU 12 H GLU 12 -6.361 -12.761 -1.342
87 HA GLU 12 HA GLU 12 -7.493 -11.311 0.831
88 HB2 GLU 12 2HB GLU 12 -7.207 -13.746 0.951
89 HB3 GLU 12 3HB GLU 12 -5.471 -13.593 0.715
90 HG2 GLU 12 2HG GLU 12 -5.303 -12.411 2.911
91 HG3 GLU 12 3HG GLU 12 -7.032 -12.658 3.146
92 H GLU 13 H GLU 13 -4.187 -11.856 -0.328
93 HA GLU 13 HA GLU 13 -2.611 -10.342 1.285
94 HB2 GLU 13 2HB GLU 13 -1.870 -11.756 -0.641
95 HB3 GLU 13 3HB GLU 13 -2.447 -10.515 -1.747
96 HG2 GLU 13 2HG GLU 13 -0.121 -10.196 -1.664
97 HG3 GLU 13 3HG GLU 13 -0.768 -8.937 -0.621
98 H ALA 14 H ALA 14 -4.476 -9.172 -1.507
99 HA ALA 14 HA ALA 14 -3.712 -6.491 -1.487
100 HB1 ALA 14 3HB ALA 14 -5.741 -6.111 -2.824
101 HB2 ALA 14 1HB ALA 14 -6.340 -7.711 -2.367
102 HB3 ALA 14 2HB ALA 14 -4.880 -7.560 -3.346
103 H GLU 15 H GLU 15 -6.542 -8.040 0.093
104 HA GLU 15 HA GLU 15 -7.817 -5.798 1.153
105 HB2 GLU 15 2HB GLU 15 -7.662 -8.597 2.358
106 HB3 GLU 15 3HB GLU 15 -8.843 -7.371 2.802
107 HG2 GLU 15 2HG GLU 15 -9.779 -7.447 0.505
108 HG3 GLU 15 3HG GLU 15 -8.598 -8.689 0.083
109 H LYS 16 H LYS 16 -5.154 -7.704 2.448
110 HA LYS 16 HA LYS 16 -5.074 -6.663 5.067
111 HB2 LYS 16 2HB LYS 16 -2.927 -7.934 3.340
112 HB3 LYS 16 3HB LYS 16 -2.669 -7.531 5.026
113 HG2 LYS 16 2HG LYS 16 -4.845 -9.435 4.131
114 HG3 LYS 16 3HG LYS 16 -3.199 -9.961 4.463
115 HD2 LYS 16 2HD LYS 16 -4.338 -10.425 6.467
116 HD3 LYS 16 3HD LYS 16 -3.528 -8.897 6.815
117 HE2 LYS 16 2HE LYS 16 -5.880 -8.974 7.647
118 HE3 LYS 16 3HE LYS 16 -5.622 -7.687 6.468
119 HZ1 LYS 16 3HZ LYS 16 -6.830 -10.346 5.872
120 HZ2 LYS 16 1HZ LYS 16 -6.625 -9.079 4.772
121 HZ3 LYS 16 2HZ LYS 16 -7.683 -8.902 6.073
122 H ILE 17 H ILE 17 -3.374 -5.726 2.088
123 HA ILE 17 HA ILE 17 -1.637 -3.791 3.184
124 HB ILE 17 HB ILE 17 -2.777 -3.879 0.350
125 HG12 ILE 17 2HG1 ILE 17 -1.769 -6.030 0.785
126 HG13 ILE 17 3HG1 ILE 17 -0.656 -5.133 -0.232
127 HG21 ILE 17 1HG2 ILE 17 -0.725 -2.694 -0.334
128 HG22 ILE 17 2HG2 ILE 17 -0.225 -2.574 1.353
129 HG23 ILE 17 3HG2 ILE 17 -1.679 -1.736 0.805
130 HD11 ILE 17 3HD1 ILE 17 0.520 -6.396 1.445
131 HD12 ILE 17 1HD1 ILE 17 -0.375 -5.615 2.744
132 HD13 ILE 17 2HD1 ILE 17 0.747 -4.678 1.750
133 H ILE 18 H ILE 18 -4.837 -3.492 1.665
134 HA ILE 18 HA ILE 18 -5.129 -0.707 1.751
135 HB ILE 18 HB ILE 18 -7.045 -3.030 1.490
136 HG12 ILE 18 2HG1 ILE 18 -7.497 -2.057 -0.738
137 HG13 ILE 18 3HG1 ILE 18 -6.477 -0.679 -0.361
138 HG21 ILE 18 1HG2 ILE 18 -8.353 -1.453 2.816
139 HG22 ILE 18 2HG2 ILE 18 -8.960 -1.490 1.159
140 HG23 ILE 18 3HG2 ILE 18 -7.954 -0.145 1.702
141 HD11 ILE 18 3HD1 ILE 18 -4.535 -2.198 -0.306
142 HD12 ILE 18 1HD1 ILE 18 -5.363 -2.172 -1.865
143 HD13 ILE 18 2HD1 ILE 18 -5.607 -3.523 -0.761
144 H ARG 19 H ARG 19 -6.255 -3.224 4.074
145 HA ARG 19 HA ARG 19 -7.592 -1.488 5.849
146 HB2 ARG 19 2HB ARG 19 -7.998 -3.900 5.907
147 HB3 ARG 19 3HB ARG 19 -6.330 -4.210 6.383
148 HG2 ARG 19 2HG ARG 19 -6.720 -3.073 8.546
149 HG3 ARG 19 3HG ARG 19 -8.377 -2.703 8.068
150 HD2 ARG 19 2HD ARG 19 -7.246 -5.500 8.430
151 HD3 ARG 19 3HD ARG 19 -8.235 -4.639 9.612
152 HE ARG 19 HE ARG 19 -9.611 -4.704 7.182
153 HH11 ARG 19 1HH1 ARG 19 -8.671 -6.975 9.701
154 HH12 ARG 19 2HH1 ARG 19 -9.989 -8.052 9.375
155 HH21 ARG 19 1HH2 ARG 19 -11.272 -6.144 6.712
156 HH22 ARG 19 2HH2 ARG 19 -11.472 -7.580 7.673
157 H GLU 20 H GLU 20 -4.286 -2.781 5.876
158 HA GLU 20 HA GLU 20 -3.409 -1.841 8.347
159 HB2 GLU 20 2HB GLU 20 -2.232 -3.539 6.988
160 HB3 GLU 20 3HB GLU 20 -1.830 -2.314 5.791
161 HG2 GLU 20 2HG GLU 20 0.100 -2.851 7.196
162 HG3 GLU 20 3HG GLU 20 -0.385 -1.173 7.388
163 H ILE 21 H ILE 21 -3.250 -0.297 5.138
164 HA ILE 21 HA ILE 21 -1.937 2.076 6.026
165 HB ILE 21 HB ILE 21 -3.569 1.621 3.501
166 HG12 ILE 21 2HG1 ILE 21 -1.688 0.065 3.589
167 HG13 ILE 21 3HG1 ILE 21 -1.363 1.296 2.379
168 HG21 ILE 21 1HG2 ILE 21 -1.595 3.842 4.134
169 HG22 ILE 21 2HG2 ILE 21 -3.340 4.022 3.933
170 HG23 ILE 21 3HG2 ILE 21 -2.333 3.554 2.562
171 HD11 ILE 21 3HD1 ILE 21 0.152 2.427 3.952
172 HD12 ILE 21 1HD1 ILE 21 0.622 0.759 3.627
173 HD13 ILE 21 2HD1 ILE 21 -0.168 1.165 5.147
174 H ARG 22 H ARG 22 -5.382 1.222 5.520
175 HA ARG 22 HA ARG 22 -6.296 3.941 5.783
176 HB2 ARG 22 2HB ARG 22 -7.778 1.302 5.581
177 HB3 ARG 22 3HB ARG 22 -8.621 2.830 5.823
178 HG2 ARG 22 2HG ARG 22 -7.586 3.707 3.723
179 HG3 ARG 22 3HG ARG 22 -6.852 2.120 3.462
180 HD2 ARG 22 2HD ARG 22 -8.889 2.370 2.125
181 HD3 ARG 22 3HD ARG 22 -9.094 1.100 3.333
182 HE ARG 22 HE ARG 22 -10.114 3.329 4.547
183 HH11 ARG 22 1HH1 ARG 22 -10.836 1.746 1.474
184 HH12 ARG 22 2HH1 ARG 22 -12.495 2.258 1.474
185 HH21 ARG 22 1HH2 ARG 22 -12.289 3.951 4.546
186 HH22 ARG 22 2HH2 ARG 22 -13.326 3.515 3.223
187 H GLU 23 H GLU 23 -5.610 1.498 8.156
188 HA GLU 23 HA GLU 23 -7.440 2.465 10.181
189 HB2 GLU 23 2HB GLU 23 -5.004 0.653 10.333
190 HB3 GLU 23 3HB GLU 23 -5.960 1.086 11.746
191 HG2 GLU 23 2HG GLU 23 -7.963 0.046 10.717
192 HG3 GLU 23 3HG GLU 23 -6.997 -0.407 9.313
193 H GLN 24 H GLN 24 -4.046 3.042 9.342
194 HA GLN 24 HA GLN 24 -3.647 4.914 11.563
195 HB2 GLN 24 2HB GLN 24 -1.723 4.247 9.293
196 HB3 GLN 24 3HB GLN 24 -1.339 5.000 10.836
197 HG2 GLN 24 2HG GLN 24 -2.076 2.851 11.958
198 HG3 GLN 24 3HG GLN 24 -2.163 2.133 10.352
199 HE21 GLN 24 1HE2 GLN 24 -0.467 1.399 12.588
200 HE22 GLN 24 2HE2 GLN 24 1.161 1.536 12.033
201 H TRP 25 H TRP 25 -4.075 4.890 8.095
202 HA TRP 25 HA TRP 25 -4.326 7.860 8.039
203 HB2 TRP 25 2HB TRP 25 -3.321 6.025 5.815
204 HB3 TRP 25 3HB TRP 25 -3.552 7.766 5.679
205 HD1 TRP 25 HD1 TRP 25 -1.795 9.327 7.157
206 HE1 TRP 25 HE1 TRP 25 0.625 8.848 7.869
207 HE3 TRP 25 HE3 TRP 25 -1.681 4.258 6.427
208 HZ2 TRP 25 HZ2 TRP 25 2.361 6.655 8.075
209 HZ3 TRP 25 HZ3 TRP 25 0.402 3.038 6.897
210 HH2 TRP 25 HH2 TRP 25 2.384 4.214 7.707
211 HA PRO 26 HA PRO 26 -8.448 5.929 6.996
212 HB2 PRO 26 2HB PRO 26 -9.991 7.942 8.084
213 HB3 PRO 26 3HB PRO 26 -9.295 6.627 9.048
214 HG2 PRO 26 2HG PRO 26 -8.253 9.421 8.679
215 HG3 PRO 26 3HG PRO 26 -8.417 8.474 10.178
216 HD2 PRO 26 2HD PRO 26 -6.038 8.701 8.902
217 HD3 PRO 26 3HD PRO 26 -6.504 7.202 9.744
218 H LYS 27 H LYS 27 -7.050 9.024 6.298
219 HA LYS 27 HA LYS 27 -9.029 9.723 4.261
220 HB2 LYS 27 2HB LYS 27 -6.537 11.280 5.061
221 HB3 LYS 27 3HB LYS 27 -7.921 11.872 4.160
222 HG2 LYS 27 2HG LYS 27 -7.876 11.105 7.088
223 HG3 LYS 27 3HG LYS 27 -8.000 12.732 6.417
224 HD2 LYS 27 2HD LYS 27 -10.193 12.105 5.390
225 HD3 LYS 27 3HD LYS 27 -10.074 10.523 6.167
226 HE2 LYS 27 2HE LYS 27 -11.511 11.972 7.485
227 HE3 LYS 27 3HE LYS 27 -10.032 11.653 8.391
228 HZ1 LYS 27 3HZ LYS 27 -9.201 13.821 7.696
229 HZ2 LYS 27 1HZ LYS 27 -10.664 13.969 8.522
230 HZ3 LYS 27 2HZ LYS 27 -10.627 14.119 6.840
231 H ALA 28 H ALA 28 -6.105 7.968 4.392
232 HA ALA 28 HA ALA 28 -4.802 8.709 2.003
233 HB1 ALA 28 3HB ALA 28 -3.705 7.335 3.712
234 HB2 ALA 28 1HB ALA 28 -3.659 6.519 2.149
235 HB3 ALA 28 2HB ALA 28 -4.809 6.001 3.386
236 H THR 29 H THR 29 -5.584 8.636 0.011
237 HA THR 29 HA THR 29 -7.836 7.093 -0.825
238 HB THR 29 HB THR 29 -5.846 8.778 -2.398
239 HG1 THR 29 HG1 THR 29 -7.121 9.890 -0.763
240 HG21 THR 29 3HG2 THR 29 -7.576 8.925 -4.149
241 HG22 THR 29 1HG2 THR 29 -8.607 7.818 -3.242
242 HG23 THR 29 2HG2 THR 29 -7.075 7.251 -3.909
243 H VAL 30 H VAL 30 -7.700 4.948 -1.357
244 HA VAL 30 HA VAL 30 -5.187 3.884 -2.529
245 HB VAL 30 HB VAL 30 -7.188 2.168 -0.989
246 HG11 VAL 30 1HG1 VAL 30 -5.284 0.607 -0.816
247 HG12 VAL 30 2HG1 VAL 30 -4.268 1.734 -1.713
248 HG13 VAL 30 3HG1 VAL 30 -5.659 0.980 -2.501
249 HG21 VAL 30 3HG2 VAL 30 -6.389 3.863 0.621
250 HG22 VAL 30 1HG2 VAL 30 -4.717 3.456 0.229
251 HG23 VAL 30 2HG2 VAL 30 -5.753 2.264 1.012
252 H THR 31 H THR 31 -5.437 3.194 -4.571
253 HA THR 31 HA THR 31 -8.040 2.251 -5.592
254 HB THR 31 HB THR 31 -5.426 2.777 -7.058
255 HG1 THR 31 HG1 THR 31 -6.160 4.750 -6.523
256 HG21 THR 31 3HG2 THR 31 -6.829 1.144 -8.268
257 HG22 THR 31 1HG2 THR 31 -6.763 2.691 -9.123
258 HG23 THR 31 2HG2 THR 31 -8.192 2.262 -8.184
259 H ARG 32 H ARG 32 -8.366 0.058 -5.403
260 HA ARG 32 HA ARG 32 -6.028 -1.734 -5.019
261 HB2 ARG 32 2HB ARG 32 -7.654 -1.640 -3.132
262 HB3 ARG 32 3HB ARG 32 -8.940 -2.149 -4.217
263 HG2 ARG 32 2HG ARG 32 -7.441 -4.262 -4.638
264 HG3 ARG 32 3HG ARG 32 -6.594 -3.749 -3.179
265 HD2 ARG 32 2HD ARG 32 -9.460 -4.645 -3.473
266 HD3 ARG 32 3HD ARG 32 -8.189 -5.332 -2.457
267 HE ARG 32 HE ARG 32 -8.799 -2.639 -1.734
268 HH11 ARG 32 1HH1 ARG 32 -9.961 -5.936 -1.299
269 HH12 ARG 32 2HH1 ARG 32 -10.813 -5.550 0.162
270 HH21 ARG 32 1HH2 ARG 32 -9.993 -2.123 0.038
271 HH22 ARG 32 2HH2 ARG 32 -10.829 -3.356 0.921
272 H THR 33 H THR 33 -5.657 -2.171 -7.330
273 HA THR 33 HA THR 33 -7.643 -4.103 -8.361
274 HB THR 33 HB THR 33 -6.250 -4.038 -10.440
275 HG1 THR 33 HG1 THR 33 -4.227 -3.492 -9.450
276 HG21 THR 33 3HG2 THR 33 -8.101 -2.370 -10.184
277 HG22 THR 33 1HG2 THR 33 -6.774 -1.751 -11.173
278 HG23 THR 33 2HG2 THR 33 -6.944 -1.224 -9.497
279 H ASN 34 H ASN 34 -7.269 -6.254 -8.040
280 HA ASN 34 HA ASN 34 -5.165 -7.404 -6.624
281 HB2 ASN 34 2HB ASN 34 -7.307 -8.570 -7.083
282 HB3 ASN 34 3HB ASN 34 -6.882 -8.718 -8.782
283 HD21 ASN 34 1HD2 ASN 34 -6.929 -10.937 -8.801
284 HD22 ASN 34 2HD2 ASN 34 -5.791 -11.929 -7.976
285 H GLY 35 H GLY 35 -3.161 -8.300 -7.189
286 HA2 GLY 35 2HA GLY 35 -1.340 -8.733 -8.643
287 HA3 GLY 35 3HA GLY 35 -2.123 -7.820 -9.923
288 H ASP 36 H ASP 36 -2.683 -5.399 -8.741
289 HA ASP 36 HA ASP 36 -0.047 -4.335 -7.870
290 HB2 ASP 36 2HB ASP 36 -1.792 -3.142 -10.091
291 HB3 ASP 36 3HB ASP 36 -0.301 -2.448 -9.474
292 H ILE 37 H ILE 37 -0.466 -3.291 -5.944
293 HA ILE 37 HA ILE 37 -3.074 -2.046 -5.465
294 HB ILE 37 HB ILE 37 -0.737 -2.564 -3.562
295 HG12 ILE 37 2HG1 ILE 37 -1.873 -4.627 -4.128
296 HG13 ILE 37 3HG1 ILE 37 -2.350 -4.182 -2.495
297 HG21 ILE 37 1HG2 ILE 37 -2.261 -1.846 -1.738
298 HG22 ILE 37 2HG2 ILE 37 -3.459 -1.351 -2.934
299 HG23 ILE 37 3HG2 ILE 37 -1.902 -0.524 -2.851
300 HD11 ILE 37 3HD1 ILE 37 -4.228 -5.038 -3.729
301 HD12 ILE 37 1HD1 ILE 37 -4.001 -3.847 -5.004
302 HD13 ILE 37 2HD1 ILE 37 -4.498 -3.332 -3.389
303 H LYS 38 H LYS 38 -3.205 -0.100 -6.204
304 HA LYS 38 HA LYS 38 -0.907 1.681 -6.470
305 HB2 LYS 38 2HB LYS 38 -3.806 2.119 -7.304
306 HB3 LYS 38 3HB LYS 38 -2.391 3.010 -7.870
307 HG2 LYS 38 2HG LYS 38 -1.586 1.078 -9.093
308 HG3 LYS 38 3HG LYS 38 -2.839 0.051 -8.391
309 HD2 LYS 38 2HD LYS 38 -3.408 0.648 -10.699
310 HD3 LYS 38 3HD LYS 38 -4.571 1.352 -9.573
311 HE2 LYS 38 2HE LYS 38 -3.935 2.928 -11.364
312 HE3 LYS 38 3HE LYS 38 -3.475 3.533 -9.773
313 HZ1 LYS 38 3HZ LYS 38 -1.750 3.817 -11.507
314 HZ2 LYS 38 1HZ LYS 38 -1.615 2.137 -11.630
315 HZ3 LYS 38 2HZ LYS 38 -1.209 2.920 -10.180
316 H LEU 39 H LEU 39 -0.461 2.659 -4.546
317 HA LEU 39 HA LEU 39 -2.683 3.639 -2.840
318 HB2 LEU 39 2HB LEU 39 -1.197 2.117 -1.672
319 HB3 LEU 39 3HB LEU 39 0.228 2.994 -2.209
320 HG LEU 39 HG LEU 39 -0.356 4.908 -0.752
321 HD11 LEU 39 1HD1 LEU 39 -2.232 4.801 0.831
322 HD12 LEU 39 2HD1 LEU 39 -2.779 3.297 0.089
323 HD13 LEU 39 3HD1 LEU 39 -2.793 4.797 -0.841
324 HD21 LEU 39 3HD2 LEU 39 1.017 3.113 0.170
325 HD22 LEU 39 1HD2 LEU 39 -0.430 2.259 0.713
326 HD23 LEU 39 2HD2 LEU 39 -0.004 3.821 1.422
327 H ASP 40 H ASP 40 -3.019 5.758 -2.786
328 HA ASP 40 HA ASP 40 -1.098 7.574 -4.090
329 HB2 ASP 40 2HB ASP 40 -3.573 7.562 -4.728
330 HB3 ASP 40 3HB ASP 40 -3.924 8.206 -3.134
331 H ALA 41 H ALA 41 0.380 8.318 -2.743
332 HA ALA 41 HA ALA 41 -0.135 8.845 0.083
333 HB1 ALA 41 3HB ALA 41 2.360 9.340 -1.585
334 HB2 ALA 41 1HB ALA 41 2.039 7.913 -0.602
335 HB3 ALA 41 2HB ALA 41 2.255 9.483 0.173
336 H GLN 42 H GLN 42 -0.369 10.855 0.991
337 HA GLN 42 HA GLN 42 -1.122 13.118 -0.541
338 HB2 GLN 42 2HB GLN 42 -1.958 12.807 1.735
339 HB3 GLN 42 3HB GLN 42 -0.328 12.879 2.387
340 HG2 GLN 42 2HG GLN 42 -1.565 14.980 2.795
341 HG3 GLN 42 3HG GLN 42 -0.148 15.247 1.776
342 HE21 GLN 42 1HE2 GLN 42 -0.905 17.126 0.822
343 HE22 GLN 42 2HE2 GLN 42 -2.226 17.151 -0.291
344 H THR 43 H THR 43 1.903 12.099 0.929
345 HA THR 43 HA THR 43 3.425 13.922 -0.722
346 HB THR 43 HB THR 43 2.935 15.309 1.305
347 HG1 THR 43 HG1 THR 43 4.916 16.114 1.302
348 HG21 THR 43 3HG2 THR 43 3.928 14.772 3.481
349 HG22 THR 43 1HG2 THR 43 4.568 13.258 2.847
350 HG23 THR 43 2HG2 THR 43 2.823 13.482 2.998
351 H GLU 44 H GLU 44 5.808 13.477 -0.522
352 HA GLU 44 HA GLU 44 6.330 10.741 -0.899
353 HB2 GLU 44 2HB GLU 44 7.663 12.540 -1.957
354 HB3 GLU 44 3HB GLU 44 8.319 12.991 -0.387
355 HG2 GLU 44 2HG GLU 44 9.360 10.722 -0.210
356 HG3 GLU 44 3HG GLU 44 8.766 10.342 -1.823
357 H LYS 45 H LYS 45 6.850 12.890 1.852
358 HA LYS 45 HA LYS 45 8.402 11.195 3.462
359 HB2 LYS 45 2HB LYS 45 8.161 13.619 3.896
360 HB3 LYS 45 3HB LYS 45 6.463 13.394 4.300
361 HG2 LYS 45 2HG LYS 45 7.897 13.674 6.311
362 HG3 LYS 45 3HG LYS 45 7.054 12.125 6.302
363 HD2 LYS 45 2HD LYS 45 9.369 11.873 7.081
364 HD3 LYS 45 3HD LYS 45 9.126 11.000 5.567
365 HE2 LYS 45 2HE LYS 45 10.157 12.965 4.366
366 HE3 LYS 45 3HE LYS 45 10.522 13.673 5.943
367 HZ1 LYS 45 3HZ LYS 45 12.397 12.432 4.995
368 HZ2 LYS 45 1HZ LYS 45 11.473 11.016 5.015
369 HZ3 LYS 45 2HZ LYS 45 11.884 11.781 6.466
370 H GLU 46 H GLU 46 4.902 11.552 3.110
371 HA GLU 46 HA GLU 46 4.155 9.827 5.238
372 HB2 GLU 46 2HB GLU 46 2.747 11.629 3.838
373 HB3 GLU 46 3HB GLU 46 2.338 10.227 2.860
374 HG2 GLU 46 2HG GLU 46 0.608 10.593 4.515
375 HG3 GLU 46 3HG GLU 46 1.458 9.097 4.899
376 H ALA 47 H ALA 47 5.094 9.350 1.948
377 HA ALA 47 HA ALA 47 3.981 6.761 1.477
378 HB1 ALA 47 3HB ALA 47 4.608 8.266 -0.355
379 HB2 ALA 47 1HB ALA 47 5.445 6.722 -0.494
380 HB3 ALA 47 2HB ALA 47 6.307 8.143 0.107
381 H GLU 48 H GLU 48 6.832 7.928 3.091
382 HA GLU 48 HA GLU 48 8.459 5.578 2.949
383 HB2 GLU 48 2HB GLU 48 8.493 7.945 4.862
384 HB3 GLU 48 3HB GLU 48 9.756 6.717 4.793
385 HG2 GLU 48 2HG GLU 48 10.347 7.359 2.534
386 HG3 GLU 48 3HG GLU 48 8.974 8.455 2.438
387 H LYS 49 H LYS 49 6.005 6.699 5.239
388 HA LYS 49 HA LYS 49 6.483 4.543 7.155
389 HB2 LYS 49 2HB LYS 49 3.981 6.286 7.035
390 HB3 LYS 49 3HB LYS 49 4.516 5.294 8.373
391 HG2 LYS 49 2HG LYS 49 4.946 7.461 9.095
392 HG3 LYS 49 3HG LYS 49 6.526 6.918 8.519
393 HD2 LYS 49 2HD LYS 49 6.293 8.167 6.475
394 HD3 LYS 49 3HD LYS 49 4.598 8.507 6.801
395 HE2 LYS 49 2HE LYS 49 6.837 9.541 8.567
396 HE3 LYS 49 3HE LYS 49 6.195 10.434 7.187
397 HZ1 LYS 49 3HZ LYS 49 5.099 11.157 9.169
398 HZ2 LYS 49 1HZ LYS 49 4.678 9.572 9.587
399 HZ3 LYS 49 2HZ LYS 49 3.980 10.301 8.230
400 H MET 50 H MET 50 3.871 5.526 5.009
401 HA MET 50 HA MET 50 2.140 3.462 4.888
402 HB2 MET 50 2HB MET 50 3.138 5.127 2.560
403 HB3 MET 50 3HB MET 50 1.845 3.952 2.363
404 HG2 MET 50 2HG MET 50 0.484 5.159 4.010
405 HG3 MET 50 3HG MET 50 1.783 6.340 4.218
406 HE1 MET 50 3HE MET 50 -1.319 6.965 3.394
407 HE2 MET 50 1HE MET 50 -1.062 8.245 2.208
408 HE3 MET 50 2HE MET 50 -0.124 8.227 3.701
409 H GLU 51 H GLU 51 4.998 3.500 2.703
410 HA GLU 51 HA GLU 51 4.625 0.948 1.581
411 HB2 GLU 51 2HB GLU 51 6.788 1.230 0.629
412 HB3 GLU 51 3HB GLU 51 6.123 2.842 0.758
413 HG2 GLU 51 2HG GLU 51 7.481 3.268 2.750
414 HG3 GLU 51 3HG GLU 51 8.141 1.634 2.676
415 H LYS 52 H LYS 52 6.133 1.912 4.525
416 HA LYS 52 HA LYS 52 7.478 -0.568 5.164
417 HB2 LYS 52 2HB LYS 52 8.318 1.579 6.036
418 HB3 LYS 52 3HB LYS 52 6.822 1.827 6.932
419 HG2 LYS 52 2HG LYS 52 7.336 -0.137 8.340
420 HG3 LYS 52 3HG LYS 52 8.814 -0.417 7.424
421 HD2 LYS 52 2HD LYS 52 8.234 2.066 9.082
422 HD3 LYS 52 3HD LYS 52 9.240 0.714 9.595
423 HE2 LYS 52 2HE LYS 52 10.766 1.179 7.662
424 HE3 LYS 52 3HE LYS 52 9.790 2.598 7.280
425 HZ1 LYS 52 3HZ LYS 52 11.764 3.148 8.583
426 HZ2 LYS 52 1HZ LYS 52 11.227 2.154 9.839
427 HZ3 LYS 52 2HZ LYS 52 10.349 3.533 9.422
428 H ALA 53 H ALA 53 4.349 0.899 5.938
429 HA ALA 53 HA ALA 53 3.436 -1.110 7.755
430 HB1 ALA 53 3HB ALA 53 2.426 1.124 7.680
431 HB2 ALA 53 1HB ALA 53 1.209 -0.121 7.422
432 HB3 ALA 53 2HB ALA 53 1.815 0.818 6.053
433 H VAL 54 H VAL 54 3.320 -0.742 4.266
434 HA VAL 54 HA VAL 54 1.758 -3.012 3.586
435 HB VAL 54 HB VAL 54 4.066 -1.697 2.081
436 HG11 VAL 54 1HG1 VAL 54 3.169 -2.747 0.050
437 HG12 VAL 54 2HG1 VAL 54 1.965 -3.602 1.013
438 HG13 VAL 54 3HG1 VAL 54 3.680 -3.964 1.222
439 HG21 VAL 54 3HG2 VAL 54 2.318 -0.522 0.795
440 HG22 VAL 54 1HG2 VAL 54 2.216 -0.135 2.515
441 HG23 VAL 54 2HG2 VAL 54 1.072 -1.270 1.798
442 H LYS 55 H LYS 55 5.249 -2.562 4.076
443 HA LYS 55 HA LYS 55 6.125 -5.157 3.505
444 HB2 LYS 55 2HB LYS 55 7.353 -2.888 5.077
445 HB3 LYS 55 3HB LYS 55 8.191 -4.432 4.932
446 HG2 LYS 55 2HG LYS 55 8.221 -4.210 2.490
447 HG3 LYS 55 3HG LYS 55 7.348 -2.676 2.598
448 HD2 LYS 55 2HD LYS 55 9.194 -1.591 3.675
449 HD3 LYS 55 3HD LYS 55 10.031 -3.119 3.964
450 HE2 LYS 55 2HE LYS 55 9.518 -1.897 1.228
451 HE3 LYS 55 3HE LYS 55 11.047 -1.843 2.107
452 HZ1 LYS 55 3HZ LYS 55 11.055 -4.310 2.069
453 HZ2 LYS 55 1HZ LYS 55 11.132 -3.613 0.532
454 HZ3 LYS 55 2HZ LYS 55 9.681 -4.272 1.084
455 H LYS 56 H LYS 56 4.502 -4.054 6.352
456 HA LYS 56 HA LYS 56 5.362 -5.958 8.250
457 HB2 LYS 56 2HB LYS 56 2.571 -4.777 7.887
458 HB3 LYS 56 3HB LYS 56 3.110 -5.658 9.314
459 HG2 LYS 56 2HG LYS 56 4.772 -3.882 9.779
460 HG3 LYS 56 3HG LYS 56 4.202 -2.990 8.359
461 HD2 LYS 56 2HD LYS 56 1.912 -2.906 9.380
462 HD3 LYS 56 3HD LYS 56 2.549 -3.706 10.819
463 HE2 LYS 56 2HE LYS 56 4.033 -1.804 11.237
464 HE3 LYS 56 3HE LYS 56 3.461 -1.019 9.761
465 HZ1 LYS 56 3HZ LYS 56 2.334 -0.117 11.662
466 HZ2 LYS 56 1HZ LYS 56 1.836 -1.652 12.162
467 HZ3 LYS 56 2HZ LYS 56 1.225 -0.991 10.732
468 H VAL 57 H VAL 57 2.838 -6.068 5.769
469 HA VAL 57 HA VAL 57 1.957 -8.750 6.440
470 HB VAL 57 HB VAL 57 1.156 -7.040 4.036
471 HG11 VAL 57 1HG1 VAL 57 -0.317 -9.307 5.423
472 HG12 VAL 57 2HG1 VAL 57 0.532 -9.435 3.880
473 HG13 VAL 57 3HG1 VAL 57 -0.884 -8.394 4.023
474 HG21 VAL 57 3HG2 VAL 57 -0.761 -6.252 5.372
475 HG22 VAL 57 1HG2 VAL 57 0.771 -5.753 6.098
476 HG23 VAL 57 2HG2 VAL 57 -0.134 -7.104 6.784
477 H LYS 58 H LYS 58 4.301 -7.315 4.355
478 HA LYS 58 HA LYS 58 5.035 -9.800 3.148
479 HB2 LYS 58 2HB LYS 58 4.759 -9.112 0.766
480 HB3 LYS 58 3HB LYS 58 3.250 -9.374 1.618
481 HG2 LYS 58 2HG LYS 58 3.138 -6.810 1.901
482 HG3 LYS 58 3HG LYS 58 4.437 -6.741 0.709
483 HD2 LYS 58 2HD LYS 58 1.634 -7.854 0.324
484 HD3 LYS 58 3HD LYS 58 2.337 -6.441 -0.456
485 HE2 LYS 58 2HE LYS 58 3.295 -9.291 -0.890
486 HE3 LYS 58 3HE LYS 58 2.204 -8.412 -1.961
487 HZ1 LYS 58 3HZ LYS 58 4.988 -7.602 -1.315
488 HZ2 LYS 58 1HZ LYS 58 3.930 -6.783 -2.351
489 HZ3 LYS 58 2HZ LYS 58 4.473 -8.330 -2.749
490 HA PRO 59 HA PRO 59 8.644 -7.233 4.323
491 HB2 PRO 59 2HB PRO 59 10.062 -9.769 3.477
492 HB3 PRO 59 3HB PRO 59 10.243 -8.812 4.966
493 HG2 PRO 59 2HG PRO 59 8.905 -11.101 5.029
494 HG3 PRO 59 3HG PRO 59 8.314 -9.693 5.945
495 HD2 PRO 59 2HD PRO 59 7.308 -10.803 3.327
496 HD3 PRO 59 3HD PRO 59 6.394 -10.151 4.708
497 H ASN 60 H ASN 60 8.632 -9.215 1.360
498 HA ASN 60 HA ASN 60 10.825 -7.707 0.157
499 HB2 ASN 60 2HB ASN 60 9.249 -10.103 -0.874
500 HB3 ASN 60 3HB ASN 60 10.708 -9.453 -1.609
501 HD21 ASN 60 1HD2 ASN 60 12.723 -9.896 -0.638
502 HD22 ASN 60 2HD2 ASN 60 12.898 -11.077 0.616
503 H ALA 61 H ALA 61 7.998 -6.563 0.523
504 HA ALA 61 HA ALA 61 6.547 -6.428 -1.827
505 HB1 ALA 61 3HB ALA 61 5.542 -4.386 -0.906
506 HB2 ALA 61 1HB ALA 61 6.876 -4.220 0.243
507 HB3 ALA 61 2HB ALA 61 5.769 -5.587 0.367
508 H THR 62 H THR 62 7.281 -5.882 -3.780
509 HA THR 62 HA THR 62 9.365 -3.980 -4.331
510 HB THR 62 HB THR 62 7.425 -5.357 -6.244
511 HG1 THR 62 HG1 THR 62 8.933 -6.674 -4.819
512 HG21 THR 62 3HG2 THR 62 10.129 -4.059 -6.770
513 HG22 THR 62 1HG2 THR 62 8.561 -3.435 -7.298
514 HG23 THR 62 2HG2 THR 62 9.172 -4.958 -7.946
515 H ILE 63 H ILE 63 8.877 -1.911 -3.948
516 HA ILE 63 HA ILE 63 6.180 -0.832 -4.511
517 HB ILE 63 HB ILE 63 8.253 -0.000 -2.423
518 HG12 ILE 63 2HG1 ILE 63 5.529 -1.307 -1.984
519 HG13 ILE 63 3HG1 ILE 63 7.017 -2.229 -2.099
520 HG21 ILE 63 1HG2 ILE 63 6.972 1.961 -3.199
521 HG22 ILE 63 2HG2 ILE 63 6.517 1.536 -1.546
522 HG23 ILE 63 3HG2 ILE 63 5.455 1.106 -2.888
523 HD11 ILE 63 3HD1 ILE 63 6.509 -2.029 0.165
524 HD12 ILE 63 1HD1 ILE 63 6.211 -0.299 0.040
525 HD13 ILE 63 2HD1 ILE 63 7.852 -0.926 -0.127
526 H ARG 64 H ARG 64 6.123 0.483 -6.167
527 HA ARG 64 HA ARG 64 8.590 1.797 -7.166
528 HB2 ARG 64 2HB ARG 64 6.043 1.094 -8.696
529 HB3 ARG 64 3HB ARG 64 7.495 1.794 -9.388
530 HG2 ARG 64 2HG ARG 64 7.332 -0.960 -8.143
531 HG3 ARG 64 3HG ARG 64 7.200 -0.636 -9.865
532 HD2 ARG 64 2HD ARG 64 9.403 -1.360 -9.586
533 HD3 ARG 64 3HD ARG 64 9.574 0.396 -9.654
534 HE ARG 64 HE ARG 64 9.505 0.120 -7.058
535 HH11 ARG 64 1HH1 ARG 64 11.152 -2.067 -9.281
536 HH12 ARG 64 2HH1 ARG 64 12.339 -2.552 -8.110
537 HH21 ARG 64 1HH2 ARG 64 11.044 -0.554 -5.528
538 HH22 ARG 64 2HH2 ARG 64 12.271 -1.694 -5.994
539 H LYS 65 H LYS 65 8.627 3.959 -6.995
540 HA LYS 65 HA LYS 65 6.143 5.396 -6.230
541 HB2 LYS 65 2HB LYS 65 9.067 6.139 -5.768
542 HB3 LYS 65 3HB LYS 65 7.698 7.147 -5.318
543 HG2 LYS 65 2HG LYS 65 6.982 5.230 -3.776
544 HG3 LYS 65 3HG LYS 65 8.559 4.506 -4.108
545 HD2 LYS 65 2HD LYS 65 9.672 6.570 -3.266
546 HD3 LYS 65 3HD LYS 65 8.090 7.269 -2.908
547 HE2 LYS 65 2HE LYS 65 9.107 6.396 -0.871
548 HE3 LYS 65 3HE LYS 65 7.683 5.430 -1.279
549 HZ1 LYS 65 3HZ LYS 65 9.052 3.695 -2.092
550 HZ2 LYS 65 1HZ LYS 65 9.711 4.152 -0.610
551 HZ3 LYS 65 2HZ LYS 65 10.445 4.649 -2.046
552 H THR 66 H THR 66 5.325 5.995 -8.243
553 HA THR 66 HA THR 66 6.923 7.295 -10.253
554 HB THR 66 HB THR 66 3.887 7.270 -9.988
555 HG1 THR 66 HG1 THR 66 4.018 5.217 -10.435
556 HG21 THR 66 3HG2 THR 66 3.912 7.512 -12.433
557 HG22 THR 66 1HG2 THR 66 5.674 7.565 -12.427
558 HG23 THR 66 2HG2 THR 66 4.749 8.867 -11.674
559 H GLY 67 H GLY 67 7.078 9.489 -10.676
560 HA2 GLY 67 2HA GLY 67 6.838 11.787 -10.349
561 HA3 GLY 67 3HA GLY 67 5.764 11.481 -8.990
562 H GLY 68 H GLY 68 9.121 11.475 -10.028
563 HA2 GLY 68 2HA GLY 68 10.150 12.428 -7.542
564 HA3 GLY 68 3HA GLY 68 10.491 10.715 -7.754
565 H SER 69 H SER 69 10.727 13.820 -9.480
566 HA SER 69 HA SER 69 13.355 13.034 -10.570
567 HB2 SER 69 2HB SER 69 11.631 12.582 -12.315
568 HB3 SER 69 3HB SER 69 11.080 14.256 -12.211
569 HG SER 69 HG SER 69 12.873 14.929 -13.210
570 H LEU 70 H LEU 70 14.835 14.645 -10.378
571 HA LEU 70 HA LEU 70 14.043 17.145 -9.111
572 HB2 LEU 70 2HB LEU 70 16.809 16.035 -9.724
573 HB3 LEU 70 3HB LEU 70 16.500 17.540 -8.877
574 HG LEU 70 HG LEU 70 15.260 16.101 -7.113
575 HD11 LEU 70 1HD1 LEU 70 16.776 13.853 -8.460
576 HD12 LEU 70 2HD1 LEU 70 15.022 14.045 -8.396
577 HD13 LEU 70 3HD1 LEU 70 15.930 13.756 -6.914
578 HD21 LEU 70 3HD2 LEU 70 18.262 15.766 -7.374
579 HD22 LEU 70 1HD2 LEU 70 17.313 15.613 -5.892
580 HD23 LEU 70 2HD2 LEU 70 17.431 17.173 -6.704
581 H GLU 71 H GLU 71 13.000 18.177 -10.878
582 HA GLU 71 HA GLU 71 14.312 18.859 -13.328
583 HB2 GLU 71 2HB GLU 71 11.879 18.889 -13.195
584 HB3 GLU 71 3HB GLU 71 11.909 20.059 -11.881
585 HG2 GLU 71 2HG GLU 71 11.238 21.137 -13.953
586 HG3 GLU 71 3HG GLU 71 12.802 21.763 -13.431
587 H HIS 72 H HIS 72 15.716 20.480 -13.740
588 HA HIS 72 HA HIS 72 16.757 22.082 -11.533
589 HB2 HIS 72 2HB HIS 72 17.614 21.857 -14.454
590 HB3 HIS 72 3HB HIS 72 18.460 22.820 -13.249
591 HD1 HIS 72 HD1 HIS 72 20.088 21.620 -11.713
592 HD2 HIS 72 HD2 HIS 72 17.874 18.997 -14.067
593 HE1 HIS 72 HE1 HIS 72 21.139 19.362 -11.403
594 HE2 HIS 72 HE2 HIS 72 19.847 17.820 -12.909
595 H HIS 73 H HIS 73 15.108 22.593 -14.642
596 HA HIS 73 HA HIS 73 14.162 25.228 -13.903
597 HB2 HIS 73 2HB HIS 73 15.197 26.199 -16.127
598 HB3 HIS 73 3HB HIS 73 16.191 26.112 -14.685
599 HD1 HIS 73 HD1 HIS 73 18.459 25.258 -15.093
600 HD2 HIS 73 HD2 HIS 73 15.773 23.722 -17.868
601 HE1 HIS 73 HE1 HIS 73 19.828 23.893 -16.685
602 HE2 HIS 73 HE2 HIS 73 18.205 23.088 -18.419
603 H HIS 74 H HIS 74 12.051 24.559 -14.215
604 HA HIS 74 HA HIS 74 11.261 23.222 -16.694
605 HB2 HIS 74 2HB HIS 74 8.954 23.176 -15.652
606 HB3 HIS 74 3HB HIS 74 10.200 22.323 -14.762
607 HD1 HIS 74 HD1 HIS 74 10.650 23.051 -12.380
608 HD2 HIS 74 HD2 HIS 74 7.975 25.547 -14.354
609 HE1 HIS 74 HE1 HIS 74 9.628 24.488 -10.600
610 HE2 HIS 74 HE2 HIS 74 7.862 25.815 -11.791
611 H HIS 75 H HIS 75 12.221 25.403 -17.568
612 HA HIS 75 HA HIS 75 10.079 26.583 -19.032
613 HB2 HIS 75 2HB HIS 75 10.029 28.017 -16.962
614 HB3 HIS 75 3HB HIS 75 11.710 28.449 -17.243
615 HD1 HIS 75 HD1 HIS 75 8.242 29.019 -18.585
616 HD2 HIS 75 HD2 HIS 75 12.092 30.484 -19.155
617 HE1 HIS 75 HE1 HIS 75 7.987 31.070 -20.009
618 HE2 HIS 75 HE2 HIS 75 10.329 31.833 -20.471
619 H HIS 76 H HIS 76 11.025 26.166 -20.935
620 HA HIS 76 HA HIS 76 13.911 26.471 -21.297
621 HB2 HIS 76 2HB HIS 76 12.634 24.512 -22.273
622 HB3 HIS 76 3HB HIS 76 11.824 25.625 -23.367
623 HD1 HIS 76 HD1 HIS 76 13.295 26.711 -25.267
624 HD2 HIS 76 HD2 HIS 76 15.260 23.795 -23.042
625 HE1 HIS 76 HE1 HIS 76 15.388 26.196 -26.530
626 HE2 HIS 76 HE2 HIS 76 16.461 24.321 -25.258
627 H HIS 77 H HIS 77 14.868 27.993 -22.565
628 HA HIS 77 HA HIS 77 13.317 29.965 -24.052
629 HB2 HIS 77 2HB HIS 77 14.544 31.873 -22.869
630 HB3 HIS 77 3HB HIS 77 13.269 31.081 -21.947
631 HD1 HIS 77 HD1 HIS 77 16.887 31.879 -21.853
632 HD2 HIS 77 HD2 HIS 77 14.219 29.473 -19.767
633 HE1 HIS 77 HE1 HIS 77 18.053 31.272 -19.720
634 HE2 HIS 77 HE2 HIS 77 16.345 29.973 -18.405
Start of MODEL 9
1 H1 MET 1 1H MET 1 -0.364 12.021 -4.785
2 H2 MET 1 2H MET 1 -0.551 13.672 -4.480
3 H3 MET 1 3H MET 1 0.706 12.817 -3.746
4 HA MET 1 HA MET 1 0.397 13.333 -6.641
5 HB2 MET 1 2HB MET 1 2.323 14.839 -6.448
6 HB3 MET 1 3HB MET 1 1.071 15.344 -5.324
7 HG2 MET 1 2HG MET 1 2.307 14.339 -3.462
8 HG3 MET 1 3HG MET 1 3.546 13.770 -4.577
9 HE1 MET 1 3HE MET 1 2.829 18.234 -3.562
10 HE2 MET 1 1HE MET 1 1.980 16.906 -2.772
11 HE3 MET 1 2HE MET 1 1.649 17.282 -4.465
12 H VAL 2 H VAL 2 2.038 11.581 -4.075
13 HA VAL 2 HA VAL 2 3.921 10.284 -5.930
14 HB VAL 2 HB VAL 2 3.603 9.881 -2.910
15 HG11 VAL 2 1HG1 VAL 2 5.853 8.849 -3.003
16 HG12 VAL 2 2HG1 VAL 2 5.888 9.061 -4.754
17 HG13 VAL 2 3HG1 VAL 2 4.709 7.970 -4.022
18 HG21 VAL 2 3HG2 VAL 2 5.598 11.664 -4.369
19 HG22 VAL 2 1HG2 VAL 2 5.564 11.356 -2.630
20 HG23 VAL 2 2HG2 VAL 2 4.232 12.221 -3.398
21 H ASP 3 H ASP 3 3.046 8.604 -7.051
22 HA ASP 3 HA ASP 3 0.756 7.137 -5.944
23 HB2 ASP 3 2HB ASP 3 0.681 7.998 -8.300
24 HB3 ASP 3 3HB ASP 3 1.997 6.905 -8.712
25 H LEU 4 H LEU 4 0.995 5.268 -4.979
26 HA LEU 4 HA LEU 4 3.550 3.805 -5.026
27 HB2 LEU 4 2HB LEU 4 1.303 3.683 -2.958
28 HB3 LEU 4 3HB LEU 4 2.903 2.965 -2.814
29 HG LEU 4 HG LEU 4 2.248 5.942 -2.784
30 HD11 LEU 4 1HD1 LEU 4 3.020 5.897 -0.457
31 HD12 LEU 4 2HD1 LEU 4 3.242 4.146 -0.555
32 HD13 LEU 4 3HD1 LEU 4 1.627 4.845 -0.702
33 HD21 LEU 4 3HD2 LEU 4 4.944 4.581 -2.545
34 HD22 LEU 4 1HD2 LEU 4 4.631 6.303 -2.298
35 HD23 LEU 4 2HD2 LEU 4 4.384 5.585 -3.886
36 H LYS 5 H LYS 5 3.365 2.165 -6.524
37 HA LYS 5 HA LYS 5 0.990 0.404 -6.471
38 HB2 LYS 5 2HB LYS 5 3.306 0.526 -8.448
39 HB3 LYS 5 3HB LYS 5 1.946 -0.594 -8.547
40 HG2 LYS 5 2HG LYS 5 0.423 1.411 -8.759
41 HG3 LYS 5 3HG LYS 5 1.871 2.424 -8.857
42 HD2 LYS 5 2HD LYS 5 2.601 1.172 -10.870
43 HD3 LYS 5 3HD LYS 5 1.156 0.162 -10.775
44 HE2 LYS 5 2HE LYS 5 0.805 1.857 -12.468
45 HE3 LYS 5 3HE LYS 5 -0.230 2.235 -11.089
46 HZ1 LYS 5 3HZ LYS 5 2.369 3.513 -11.733
47 HZ2 LYS 5 1HZ LYS 5 1.425 3.864 -10.366
48 HZ3 LYS 5 2HZ LYS 5 0.843 4.210 -11.913
49 H ILE 6 H ILE 6 1.158 -1.319 -5.136
50 HA ILE 6 HA ILE 6 3.834 -2.477 -4.574
51 HB ILE 6 HB ILE 6 1.328 -2.735 -2.839
52 HG12 ILE 6 2HG1 ILE 6 2.823 -1.419 -1.122
53 HG13 ILE 6 3HG1 ILE 6 3.786 -0.948 -2.514
54 HG21 ILE 6 1HG2 ILE 6 2.825 -3.850 -1.207
55 HG22 ILE 6 2HG2 ILE 6 4.164 -3.724 -2.349
56 HG23 ILE 6 3HG2 ILE 6 2.765 -4.726 -2.737
57 HD11 ILE 6 3HD1 ILE 6 1.845 0.193 -3.468
58 HD12 ILE 6 1HD1 ILE 6 2.233 0.794 -1.857
59 HD13 ILE 6 2HD1 ILE 6 0.869 -0.300 -2.082
60 H ASP 7 H ASP 7 4.173 -4.324 -5.679
61 HA ASP 7 HA ASP 7 2.181 -5.910 -6.952
62 HB2 ASP 7 2HB ASP 7 5.067 -6.610 -6.226
63 HB3 ASP 7 3HB ASP 7 4.040 -7.576 -7.285
64 H VAL 8 H VAL 8 0.957 -7.568 -6.141
65 HA VAL 8 HA VAL 8 1.627 -8.750 -3.518
66 HB VAL 8 HB VAL 8 -0.892 -8.757 -2.987
67 HG11 VAL 8 1HG1 VAL 8 0.505 -6.057 -3.073
68 HG12 VAL 8 2HG1 VAL 8 0.663 -7.277 -1.806
69 HG13 VAL 8 3HG1 VAL 8 -0.883 -6.468 -2.060
70 HG21 VAL 8 3HG2 VAL 8 -2.275 -6.985 -4.056
71 HG22 VAL 8 1HG2 VAL 8 -1.783 -8.222 -5.212
72 HG23 VAL 8 2HG2 VAL 8 -0.969 -6.656 -5.196
73 H SER 9 H SER 9 1.345 -10.862 -3.402
74 HA SER 9 HA SER 9 1.182 -12.425 -5.758
75 HB2 SER 9 2HB SER 9 1.092 -13.341 -2.854
76 HB3 SER 9 3HB SER 9 1.555 -14.321 -4.252
77 HG SER 9 HG SER 9 3.055 -12.642 -2.769
78 H ASP 10 H ASP 10 -1.021 -12.009 -2.985
79 HA ASP 10 HA ASP 10 -3.069 -13.703 -4.307
80 HB2 ASP 10 2HB ASP 10 -2.999 -12.902 -1.374
81 HB3 ASP 10 3HB ASP 10 -4.007 -14.131 -2.117
82 H ASP 11 H ASP 11 -5.321 -13.109 -3.646
83 HA ASP 11 HA ASP 11 -5.902 -10.311 -4.289
84 HB2 ASP 11 2HB ASP 11 -8.215 -11.057 -4.608
85 HB3 ASP 11 3HB ASP 11 -7.119 -12.089 -5.506
86 H GLU 12 H GLU 12 -6.387 -12.671 -1.690
87 HA GLU 12 HA GLU 12 -7.728 -10.951 0.154
88 HB2 GLU 12 2HB GLU 12 -7.576 -13.547 0.145
89 HB3 GLU 12 3HB GLU 12 -6.013 -13.351 0.921
90 HG2 GLU 12 2HG GLU 12 -8.675 -12.389 2.044
91 HG3 GLU 12 3HG GLU 12 -7.874 -13.886 2.494
92 H GLU 13 H GLU 13 -4.328 -11.926 -0.260
93 HA GLU 13 HA GLU 13 -3.143 -10.469 1.830
94 HB2 GLU 13 2HB GLU 13 -2.007 -12.238 0.547
95 HB3 GLU 13 3HB GLU 13 -2.031 -11.228 -0.893
96 HG2 GLU 13 2HG GLU 13 -0.542 -9.591 0.308
97 HG3 GLU 13 3HG GLU 13 -0.448 -10.738 1.649
98 H ALA 14 H ALA 14 -4.037 -9.524 -1.455
99 HA ALA 14 HA ALA 14 -2.966 -6.944 -1.598
100 HB1 ALA 14 3HB ALA 14 -3.993 -8.120 -3.521
101 HB2 ALA 14 1HB ALA 14 -4.689 -6.509 -3.296
102 HB3 ALA 14 2HB ALA 14 -5.582 -7.941 -2.779
103 H GLU 15 H GLU 15 -6.061 -8.109 -0.315
104 HA GLU 15 HA GLU 15 -7.119 -5.583 0.451
105 HB2 GLU 15 2HB GLU 15 -7.834 -8.415 1.321
106 HB3 GLU 15 3HB GLU 15 -8.797 -6.985 1.701
107 HG2 GLU 15 2HG GLU 15 -9.273 -6.602 -0.637
108 HG3 GLU 15 3HG GLU 15 -8.149 -7.868 -1.126
109 H LYS 16 H LYS 16 -5.077 -7.969 2.101
110 HA LYS 16 HA LYS 16 -5.217 -6.888 4.714
111 HB2 LYS 16 2HB LYS 16 -3.236 -8.690 3.313
112 HB3 LYS 16 3HB LYS 16 -2.816 -8.031 4.887
113 HG2 LYS 16 2HG LYS 16 -5.272 -9.728 4.312
114 HG3 LYS 16 3HG LYS 16 -3.765 -10.313 5.032
115 HD2 LYS 16 2HD LYS 16 -4.111 -8.627 6.904
116 HD3 LYS 16 3HD LYS 16 -5.695 -8.270 6.208
117 HE2 LYS 16 2HE LYS 16 -4.804 -10.981 7.269
118 HE3 LYS 16 3HE LYS 16 -5.858 -9.845 8.110
119 HZ1 LYS 16 3HZ LYS 16 -7.473 -10.082 6.311
120 HZ2 LYS 16 1HZ LYS 16 -7.136 -11.579 7.027
121 HZ3 LYS 16 2HZ LYS 16 -6.469 -11.188 5.524
122 H ILE 17 H ILE 17 -3.285 -5.986 1.896
123 HA ILE 17 HA ILE 17 -1.539 -4.120 3.195
124 HB ILE 17 HB ILE 17 -2.513 -4.015 0.306
125 HG12 ILE 17 2HG1 ILE 17 -1.538 -6.245 0.774
126 HG13 ILE 17 3HG1 ILE 17 -0.542 -5.332 -0.347
127 HG21 ILE 17 1HG2 ILE 17 -0.400 -2.802 -0.158
128 HG22 ILE 17 2HG2 ILE 17 -0.008 -2.835 1.563
129 HG23 ILE 17 3HG2 ILE 17 -1.418 -1.939 0.996
130 HD11 ILE 17 3HD1 ILE 17 0.791 -6.571 1.227
131 HD12 ILE 17 1HD1 ILE 17 0.008 -5.757 2.579
132 HD13 ILE 17 2HD1 ILE 17 1.019 -4.839 1.460
133 H ILE 18 H ILE 18 -4.653 -3.895 1.562
134 HA ILE 18 HA ILE 18 -4.984 -1.081 1.546
135 HB ILE 18 HB ILE 18 -7.026 -3.337 1.368
136 HG12 ILE 18 2HG1 ILE 18 -5.796 -1.583 -0.811
137 HG13 ILE 18 3HG1 ILE 18 -5.347 -3.250 -0.472
138 HG21 ILE 18 1HG2 ILE 18 -7.511 -0.387 0.812
139 HG22 ILE 18 2HG2 ILE 18 -8.202 -1.326 2.137
140 HG23 ILE 18 3HG2 ILE 18 -8.647 -1.696 0.473
141 HD11 ILE 18 3HD1 ILE 18 -6.752 -3.154 -2.407
142 HD12 ILE 18 1HD1 ILE 18 -8.004 -2.282 -1.524
143 HD13 ILE 18 2HD1 ILE 18 -7.628 -3.957 -1.106
144 H ARG 19 H ARG 19 -6.391 -3.566 3.687
145 HA ARG 19 HA ARG 19 -7.794 -1.956 5.475
146 HB2 ARG 19 2HB ARG 19 -6.471 -4.654 5.968
147 HB3 ARG 19 3HB ARG 19 -7.654 -3.916 7.043
148 HG2 ARG 19 2HG ARG 19 -8.193 -4.755 4.173
149 HG3 ARG 19 3HG ARG 19 -8.593 -5.708 5.603
150 HD2 ARG 19 2HD ARG 19 -10.123 -3.903 6.355
151 HD3 ARG 19 3HD ARG 19 -9.740 -2.982 4.892
152 HE ARG 19 HE ARG 19 -10.551 -5.255 3.802
153 HH11 ARG 19 1HH1 ARG 19 -12.085 -3.497 6.451
154 HH12 ARG 19 2HH1 ARG 19 -13.671 -4.069 6.056
155 HH21 ARG 19 1HH2 ARG 19 -12.614 -6.003 3.319
156 HH22 ARG 19 2HH2 ARG 19 -13.972 -5.496 4.272
157 H GLU 20 H GLU 20 -4.414 -3.054 5.512
158 HA GLU 20 HA GLU 20 -3.567 -2.134 8.014
159 HB2 GLU 20 2HB GLU 20 -2.183 -3.614 6.660
160 HB3 GLU 20 3HB GLU 20 -2.060 -2.416 5.384
161 HG2 GLU 20 2HG GLU 20 0.032 -2.604 6.656
162 HG3 GLU 20 3HG GLU 20 -0.668 -0.990 6.778
163 H ILE 21 H ILE 21 -3.456 -0.487 4.843
164 HA ILE 21 HA ILE 21 -2.394 1.971 5.808
165 HB ILE 21 HB ILE 21 -3.862 1.376 3.201
166 HG12 ILE 21 2HG1 ILE 21 -1.809 0.027 3.425
167 HG13 ILE 21 3HG1 ILE 21 -1.575 1.259 2.193
168 HG21 ILE 21 1HG2 ILE 21 -2.175 3.801 3.922
169 HG22 ILE 21 2HG2 ILE 21 -3.915 3.785 3.635
170 HG23 ILE 21 3HG2 ILE 21 -2.806 3.439 2.310
171 HD11 ILE 21 3HD1 ILE 21 0.399 0.998 3.540
172 HD12 ILE 21 1HD1 ILE 21 -0.508 1.326 5.014
173 HD13 ILE 21 2HD1 ILE 21 -0.288 2.598 3.807
174 H ARG 22 H ARG 22 -5.710 0.811 5.306
175 HA ARG 22 HA ARG 22 -7.129 3.221 5.486
176 HB2 ARG 22 2HB ARG 22 -7.945 0.405 6.278
177 HB3 ARG 22 3HB ARG 22 -9.066 1.762 6.303
178 HG2 ARG 22 2HG ARG 22 -8.811 2.042 3.878
179 HG3 ARG 22 3HG ARG 22 -7.647 0.716 3.832
180 HD2 ARG 22 2HD ARG 22 -9.788 -0.161 3.127
181 HD3 ARG 22 3HD ARG 22 -9.442 -0.814 4.728
182 HE ARG 22 HE ARG 22 -11.478 1.198 4.026
183 HH11 ARG 22 1HH1 ARG 22 -10.052 -0.799 6.566
184 HH12 ARG 22 2HH1 ARG 22 -11.370 -0.544 7.666
185 HH21 ARG 22 1HH2 ARG 22 -13.185 1.503 5.476
186 HH22 ARG 22 2HH2 ARG 22 -13.145 0.761 7.047
187 H GLU 23 H GLU 23 -5.903 1.082 8.039
188 HA GLU 23 HA GLU 23 -7.423 2.290 10.158
189 HB2 GLU 23 2HB GLU 23 -5.022 0.417 10.248
190 HB3 GLU 23 3HB GLU 23 -5.965 0.897 11.660
191 HG2 GLU 23 2HG GLU 23 -6.952 -0.726 9.288
192 HG3 GLU 23 3HG GLU 23 -6.624 -1.323 10.914
193 H GLN 24 H GLN 24 -4.008 2.411 9.143
194 HA GLN 24 HA GLN 24 -3.173 4.234 11.180
195 HB2 GLN 24 2HB GLN 24 -1.787 3.624 8.544
196 HB3 GLN 24 3HB GLN 24 -1.033 4.214 10.016
197 HG2 GLN 24 2HG GLN 24 -2.366 1.499 9.834
198 HG3 GLN 24 3HG GLN 24 -0.681 1.751 9.393
199 HE21 GLN 24 1HE2 GLN 24 -0.058 0.260 11.000
200 HE22 GLN 24 2HE2 GLN 24 -0.046 0.682 12.678
201 H TRP 25 H TRP 25 -3.575 4.655 7.626
202 HA TRP 25 HA TRP 25 -4.222 7.535 7.993
203 HB2 TRP 25 2HB TRP 25 -3.186 6.173 5.461
204 HB3 TRP 25 3HB TRP 25 -3.470 7.901 5.670
205 HD1 TRP 25 HD1 TRP 25 -1.625 9.284 7.065
206 HE1 TRP 25 HE1 TRP 25 0.754 8.702 7.835
207 HE3 TRP 25 HE3 TRP 25 -1.680 4.254 6.150
208 HZ2 TRP 25 HZ2 TRP 25 2.381 6.420 8.056
209 HZ3 TRP 25 HZ3 TRP 25 0.330 2.935 6.683
210 HH2 TRP 25 HH2 TRP 25 2.319 4.003 7.615
211 HA PRO 26 HA PRO 26 -8.298 5.754 6.574
212 HB2 PRO 26 2HB PRO 26 -9.341 8.187 7.966
213 HB3 PRO 26 3HB PRO 26 -9.813 6.488 8.178
214 HG2 PRO 26 2HG PRO 26 -8.409 7.780 10.066
215 HG3 PRO 26 3HG PRO 26 -8.123 6.058 9.711
216 HD2 PRO 26 2HD PRO 26 -6.522 8.457 8.819
217 HD3 PRO 26 3HD PRO 26 -5.951 6.892 9.446
218 H LYS 27 H LYS 27 -6.949 9.020 6.518
219 HA LYS 27 HA LYS 27 -8.544 10.023 4.349
220 HB2 LYS 27 2HB LYS 27 -6.030 11.225 5.576
221 HB3 LYS 27 3HB LYS 27 -7.311 12.072 4.713
222 HG2 LYS 27 2HG LYS 27 -7.605 10.744 7.432
223 HG3 LYS 27 3HG LYS 27 -7.347 12.466 7.160
224 HD2 LYS 27 2HD LYS 27 -9.513 12.536 5.884
225 HD3 LYS 27 3HD LYS 27 -9.778 10.839 6.306
226 HE2 LYS 27 2HE LYS 27 -11.027 12.297 7.829
227 HE3 LYS 27 3HE LYS 27 -9.753 11.460 8.718
228 HZ1 LYS 27 3HZ LYS 27 -9.619 14.261 7.721
229 HZ2 LYS 27 1HZ LYS 27 -8.402 13.469 8.589
230 HZ3 LYS 27 2HZ LYS 27 -9.887 13.800 9.322
231 H ALA 28 H ALA 28 -6.947 7.630 3.622
232 HA ALA 28 HA ALA 28 -4.706 8.656 1.979
233 HB1 ALA 28 3HB ALA 28 -4.093 6.818 3.525
234 HB2 ALA 28 1HB ALA 28 -3.979 6.289 1.846
235 HB3 ALA 28 2HB ALA 28 -5.359 5.801 2.835
236 H THR 29 H THR 29 -4.668 7.684 -0.345
237 HA THR 29 HA THR 29 -7.466 7.703 -1.329
238 HB THR 29 HB THR 29 -4.934 8.412 -2.894
239 HG1 THR 29 HG1 THR 29 -5.052 10.066 -1.527
240 HG21 THR 29 3HG2 THR 29 -6.525 9.471 -4.477
241 HG22 THR 29 1HG2 THR 29 -7.882 8.927 -3.484
242 HG23 THR 29 2HG2 THR 29 -6.860 7.747 -4.308
243 H VAL 30 H VAL 30 -8.024 5.594 -1.582
244 HA VAL 30 HA VAL 30 -6.009 3.634 -2.544
245 HB VAL 30 HB VAL 30 -8.351 3.053 -0.670
246 HG11 VAL 30 1HG1 VAL 30 -7.264 0.853 -0.340
247 HG12 VAL 30 2HG1 VAL 30 -6.014 1.292 -1.504
248 HG13 VAL 30 3HG1 VAL 30 -7.687 1.112 -2.034
249 HG21 VAL 30 3HG2 VAL 30 -5.409 3.323 0.076
250 HG22 VAL 30 1HG2 VAL 30 -6.709 2.817 1.160
251 HG23 VAL 30 2HG2 VAL 30 -6.690 4.457 0.510
252 H THR 31 H THR 31 -6.487 2.822 -4.456
253 HA THR 31 HA THR 31 -9.288 2.427 -5.343
254 HB THR 31 HB THR 31 -6.720 2.698 -6.982
255 HG1 THR 31 HG1 THR 31 -8.483 4.522 -6.046
256 HG21 THR 31 3HG2 THR 31 -8.328 1.180 -8.108
257 HG22 THR 31 1HG2 THR 31 -8.147 2.702 -8.985
258 HG23 THR 31 2HG2 THR 31 -9.577 2.423 -7.990
259 H ARG 32 H ARG 32 -9.870 0.248 -5.995
260 HA ARG 32 HA ARG 32 -8.172 -1.818 -4.828
261 HB2 ARG 32 2HB ARG 32 -10.565 -1.765 -4.241
262 HB3 ARG 32 3HB ARG 32 -11.015 -1.896 -5.932
263 HG2 ARG 32 2HG ARG 32 -11.317 -4.034 -4.751
264 HG3 ARG 32 3HG ARG 32 -10.111 -4.179 -6.029
265 HD2 ARG 32 2HD ARG 32 -8.307 -4.058 -4.378
266 HD3 ARG 32 3HD ARG 32 -9.477 -3.805 -3.084
267 HE ARG 32 HE ARG 32 -10.310 -6.088 -3.556
268 HH11 ARG 32 1HH1 ARG 32 -7.029 -5.309 -4.612
269 HH12 ARG 32 2HH1 ARG 32 -6.498 -6.953 -4.559
270 HH21 ARG 32 1HH2 ARG 32 -9.554 -8.237 -3.435
271 HH22 ARG 32 2HH2 ARG 32 -7.927 -8.611 -3.889
272 H THR 33 H THR 33 -6.958 -3.134 -6.034
273 HA THR 33 HA THR 33 -7.584 -3.742 -8.786
274 HB THR 33 HB THR 33 -6.154 -1.878 -9.244
275 HG1 THR 33 HG1 THR 33 -5.688 -3.749 -10.472
276 HG21 THR 33 3HG2 THR 33 -3.880 -1.604 -8.321
277 HG22 THR 33 1HG2 THR 33 -4.131 -3.012 -7.288
278 HG23 THR 33 2HG2 THR 33 -5.101 -1.559 -7.050
279 H ASN 34 H ASN 34 -6.847 -5.779 -9.343
280 HA ASN 34 HA ASN 34 -5.808 -7.477 -7.150
281 HB2 ASN 34 2HB ASN 34 -7.889 -8.207 -8.333
282 HB3 ASN 34 3HB ASN 34 -6.989 -8.313 -9.843
283 HD21 ASN 34 1HD2 ASN 34 -7.445 -10.525 -10.055
284 HD22 ASN 34 2HD2 ASN 34 -6.704 -11.726 -9.058
285 H GLY 35 H GLY 35 -3.719 -8.109 -7.142
286 HA2 GLY 35 2HA GLY 35 -1.737 -9.017 -8.135
287 HA3 GLY 35 3HA GLY 35 -2.112 -8.186 -9.636
288 H ASP 36 H ASP 36 -2.782 -5.693 -8.254
289 HA ASP 36 HA ASP 36 -0.142 -4.780 -7.242
290 HB2 ASP 36 2HB ASP 36 -2.107 -3.233 -9.012
291 HB3 ASP 36 3HB ASP 36 -0.659 -2.544 -8.286
292 H ILE 37 H ILE 37 -0.398 -2.711 -5.985
293 HA ILE 37 HA ILE 37 -3.056 -2.328 -4.708
294 HB ILE 37 HB ILE 37 -0.314 -1.884 -3.433
295 HG12 ILE 37 2HG1 ILE 37 -1.028 -4.240 -3.399
296 HG13 ILE 37 3HG1 ILE 37 -1.067 -3.572 -1.773
297 HG21 ILE 37 1HG2 ILE 37 -1.509 -1.108 -1.401
298 HG22 ILE 37 2HG2 ILE 37 -3.046 -1.208 -2.265
299 HG23 ILE 37 3HG2 ILE 37 -1.822 -0.045 -2.775
300 HD11 ILE 37 3HD1 ILE 37 -3.509 -3.309 -1.966
301 HD12 ILE 37 1HD1 ILE 37 -2.971 -4.975 -2.154
302 HD13 ILE 37 2HD1 ILE 37 -3.439 -4.043 -3.573
303 H LYS 38 H LYS 38 -3.907 -0.356 -5.084
304 HA LYS 38 HA LYS 38 -2.210 1.674 -6.409
305 HB2 LYS 38 2HB LYS 38 -4.369 0.522 -7.496
306 HB3 LYS 38 3HB LYS 38 -5.240 1.688 -6.517
307 HG2 LYS 38 2HG LYS 38 -4.961 2.551 -8.763
308 HG3 LYS 38 3HG LYS 38 -4.009 3.523 -7.633
309 HD2 LYS 38 2HD LYS 38 -1.954 2.415 -8.308
310 HD3 LYS 38 3HD LYS 38 -2.847 1.268 -9.313
311 HE2 LYS 38 2HE LYS 38 -1.795 3.023 -10.682
312 HE3 LYS 38 3HE LYS 38 -3.553 3.109 -10.794
313 HZ1 LYS 38 3HZ LYS 38 -1.820 4.845 -9.113
314 HZ2 LYS 38 1HZ LYS 38 -3.509 4.926 -9.158
315 HZ3 LYS 38 2HZ LYS 38 -2.603 5.304 -10.537
316 H LEU 39 H LEU 39 -1.549 3.096 -4.958
317 HA LEU 39 HA LEU 39 -3.392 4.267 -2.971
318 HB2 LEU 39 2HB LEU 39 -2.043 2.499 -1.844
319 HB3 LEU 39 3HB LEU 39 -0.565 3.246 -2.425
320 HG LEU 39 HG LEU 39 -1.006 5.243 -1.003
321 HD11 LEU 39 1HD1 LEU 39 -3.441 5.197 -0.958
322 HD12 LEU 39 2HD1 LEU 39 -2.781 5.248 0.674
323 HD13 LEU 39 3HD1 LEU 39 -3.418 3.731 0.030
324 HD21 LEU 39 3HD2 LEU 39 -1.055 2.638 0.549
325 HD22 LEU 39 1HD2 LEU 39 -0.545 4.211 1.172
326 HD23 LEU 39 2HD2 LEU 39 0.375 3.435 -0.114
327 H ASP 40 H ASP 40 -2.909 6.438 -2.503
328 HA ASP 40 HA ASP 40 -0.615 7.693 -3.885
329 HB2 ASP 40 2HB ASP 40 -2.645 8.247 -5.188
330 HB3 ASP 40 3HB ASP 40 -3.415 8.886 -3.740
331 H ALA 41 H ALA 41 0.593 8.821 -2.612
332 HA ALA 41 HA ALA 41 -0.273 9.661 0.090
333 HB1 ALA 41 3HB ALA 41 1.682 8.160 0.029
334 HB2 ALA 41 1HB ALA 41 2.137 9.754 0.637
335 HB3 ALA 41 2HB ALA 41 2.540 9.289 -1.019
336 H GLN 42 H GLN 42 0.129 11.762 0.808
337 HA GLN 42 HA GLN 42 -0.116 13.921 -0.998
338 HB2 GLN 42 2HB GLN 42 -1.030 14.065 1.241
339 HB3 GLN 42 3HB GLN 42 0.545 13.795 1.963
340 HG2 GLN 42 2HG GLN 42 0.134 16.081 2.285
341 HG3 GLN 42 3HG GLN 42 1.255 16.024 0.938
342 HE21 GLN 42 1HE2 GLN 42 -1.056 15.320 -0.957
343 HE22 GLN 42 2HE2 GLN 42 -1.833 16.831 -1.195
344 H THR 43 H THR 43 2.621 12.531 0.677
345 HA THR 43 HA THR 43 4.568 14.049 -0.875
346 HB THR 43 HB THR 43 4.362 15.572 0.973
347 HG1 THR 43 HG1 THR 43 6.507 15.271 0.591
348 HG21 THR 43 3HG2 THR 43 4.479 14.934 3.345
349 HG22 THR 43 1HG2 THR 43 4.588 13.230 2.893
350 HG23 THR 43 2HG2 THR 43 3.117 14.143 2.550
351 H GLU 44 H GLU 44 6.771 13.156 -0.563
352 HA GLU 44 HA GLU 44 6.964 10.347 -0.470
353 HB2 GLU 44 2HB GLU 44 9.110 12.466 -0.076
354 HB3 GLU 44 3HB GLU 44 9.441 10.751 -0.284
355 HG2 GLU 44 2HG GLU 44 8.062 12.500 -2.329
356 HG3 GLU 44 3HG GLU 44 9.781 12.121 -2.334
357 H LYS 45 H LYS 45 7.297 12.830 1.993
358 HA LYS 45 HA LYS 45 8.510 11.381 4.076
359 HB2 LYS 45 2HB LYS 45 6.539 13.698 4.281
360 HB3 LYS 45 3HB LYS 45 7.633 13.170 5.558
361 HG2 LYS 45 2HG LYS 45 8.445 14.359 2.879
362 HG3 LYS 45 3HG LYS 45 8.460 15.188 4.442
363 HD2 LYS 45 2HD LYS 45 10.188 13.638 5.275
364 HD3 LYS 45 3HD LYS 45 10.144 12.738 3.755
365 HE2 LYS 45 2HE LYS 45 10.939 14.754 2.558
366 HE3 LYS 45 3HE LYS 45 11.010 15.626 4.094
367 HZ1 LYS 45 3HZ LYS 45 13.162 14.713 3.364
368 HZ2 LYS 45 1HZ LYS 45 12.535 13.152 3.503
369 HZ3 LYS 45 2HZ LYS 45 12.682 14.132 4.874
370 H GLU 46 H GLU 46 5.171 11.566 3.017
371 HA GLU 46 HA GLU 46 4.104 10.051 5.269
372 HB2 GLU 46 2HB GLU 46 2.780 11.889 4.263
373 HB3 GLU 46 3HB GLU 46 2.806 11.067 2.706
374 HG2 GLU 46 2HG GLU 46 1.451 9.237 3.604
375 HG3 GLU 46 3HG GLU 46 1.485 9.962 5.213
376 H ALA 47 H ALA 47 4.854 9.674 1.825
377 HA ALA 47 HA ALA 47 3.917 7.099 1.321
378 HB1 ALA 47 3HB ALA 47 6.312 8.459 0.053
379 HB2 ALA 47 1HB ALA 47 4.628 8.688 -0.430
380 HB3 ALA 47 2HB ALA 47 5.392 7.111 -0.627
381 H GLU 48 H GLU 48 6.911 8.118 2.870
382 HA GLU 48 HA GLU 48 8.392 5.725 2.762
383 HB2 GLU 48 2HB GLU 48 8.391 7.960 4.834
384 HB3 GLU 48 3HB GLU 48 9.549 6.634 4.855
385 HG2 GLU 48 2HG GLU 48 9.250 8.717 2.674
386 HG3 GLU 48 3HG GLU 48 10.518 8.662 3.892
387 H LYS 49 H LYS 49 6.079 6.960 5.107
388 HA LYS 49 HA LYS 49 6.347 4.766 6.970
389 HB2 LYS 49 2HB LYS 49 4.289 7.013 6.865
390 HB3 LYS 49 3HB LYS 49 4.678 6.013 8.268
391 HG2 LYS 49 2HG LYS 49 6.924 6.968 8.374
392 HG3 LYS 49 3HG LYS 49 6.636 7.890 6.894
393 HD2 LYS 49 2HD LYS 49 4.841 9.166 8.082
394 HD3 LYS 49 3HD LYS 49 5.219 8.276 9.564
395 HE2 LYS 49 2HE LYS 49 7.538 9.186 9.475
396 HE3 LYS 49 3HE LYS 49 7.100 10.121 8.043
397 HZ1 LYS 49 3HZ LYS 49 5.952 10.408 10.766
398 HZ2 LYS 49 1HZ LYS 49 5.424 11.255 9.401
399 HZ3 LYS 49 2HZ LYS 49 6.991 11.488 9.988
400 H MET 50 H MET 50 3.932 5.909 4.701
401 HA MET 50 HA MET 50 1.911 4.024 4.829
402 HB2 MET 50 2HB MET 50 2.948 5.536 2.425
403 HB3 MET 50 3HB MET 50 1.654 4.362 2.234
404 HG2 MET 50 2HG MET 50 0.348 5.647 3.961
405 HG3 MET 50 3HG MET 50 1.593 6.899 3.871
406 HE1 MET 50 3HE MET 50 -1.731 8.078 1.878
407 HE2 MET 50 1HE MET 50 -0.786 8.364 3.339
408 HE3 MET 50 2HE MET 50 -1.722 6.877 3.169
409 H GLU 51 H GLU 51 4.587 3.797 2.464
410 HA GLU 51 HA GLU 51 4.140 1.143 1.718
411 HB2 GLU 51 2HB GLU 51 6.214 1.253 0.551
412 HB3 GLU 51 3HB GLU 51 5.561 2.879 0.505
413 HG2 GLU 51 2HG GLU 51 7.098 3.610 2.215
414 HG3 GLU 51 3HG GLU 51 7.658 1.969 2.500
415 H LYS 52 H LYS 52 5.832 2.448 4.496
416 HA LYS 52 HA LYS 52 7.408 0.193 5.203
417 HB2 LYS 52 2HB LYS 52 7.792 2.541 5.974
418 HB3 LYS 52 3HB LYS 52 6.350 2.425 6.973
419 HG2 LYS 52 2HG LYS 52 7.431 0.677 8.339
420 HG3 LYS 52 3HG LYS 52 8.874 0.769 7.321
421 HD2 LYS 52 2HD LYS 52 9.145 3.165 7.966
422 HD3 LYS 52 3HD LYS 52 7.737 3.033 9.021
423 HE2 LYS 52 2HE LYS 52 9.760 2.881 10.353
424 HE3 LYS 52 3HE LYS 52 8.958 1.312 10.352
425 HZ1 LYS 52 3HZ LYS 52 10.539 0.490 8.773
426 HZ2 LYS 52 1HZ LYS 52 11.393 1.200 10.048
427 HZ3 LYS 52 2HZ LYS 52 11.233 2.020 8.580
428 H ALA 53 H ALA 53 4.166 1.298 6.163
429 HA ALA 53 HA ALA 53 3.513 -0.742 7.999
430 HB1 ALA 53 3HB ALA 53 1.177 -0.050 7.654
431 HB2 ALA 53 1HB ALA 53 1.648 0.861 6.216
432 HB3 ALA 53 2HB ALA 53 2.235 1.353 7.807
433 H VAL 54 H VAL 54 3.128 -0.530 4.491
434 HA VAL 54 HA VAL 54 1.826 -2.932 3.894
435 HB VAL 54 HB VAL 54 3.985 -1.461 2.316
436 HG11 VAL 54 1HG1 VAL 54 2.022 -3.532 1.292
437 HG12 VAL 54 2HG1 VAL 54 3.768 -3.731 1.441
438 HG13 VAL 54 3HG1 VAL 54 3.114 -2.566 0.292
439 HG21 VAL 54 3HG2 VAL 54 2.066 -0.019 2.796
440 HG22 VAL 54 1HG2 VAL 54 0.961 -1.226 2.138
441 HG23 VAL 54 2HG2 VAL 54 2.113 -0.412 1.076
442 H LYS 55 H LYS 55 5.310 -2.268 4.197
443 HA LYS 55 HA LYS 55 6.409 -4.737 3.628
444 HB2 LYS 55 2HB LYS 55 7.480 -2.728 5.638
445 HB3 LYS 55 3HB LYS 55 8.409 -4.039 4.917
446 HG2 LYS 55 2HG LYS 55 8.256 -3.017 2.717
447 HG3 LYS 55 3HG LYS 55 7.150 -1.786 3.325
448 HD2 LYS 55 2HD LYS 55 9.083 -1.149 4.955
449 HD3 LYS 55 3HD LYS 55 10.107 -2.100 3.879
450 HE2 LYS 55 2HE LYS 55 8.461 0.333 3.084
451 HE3 LYS 55 3HE LYS 55 10.203 0.311 3.351
452 HZ1 LYS 55 3HZ LYS 55 10.455 -1.164 1.477
453 HZ2 LYS 55 1HZ LYS 55 9.621 0.227 1.001
454 HZ3 LYS 55 2HZ LYS 55 8.786 -1.222 1.236
455 H LYS 56 H LYS 56 4.693 -3.921 6.595
456 HA LYS 56 HA LYS 56 5.657 -6.029 8.254
457 HB2 LYS 56 2HB LYS 56 3.083 -4.426 8.266
458 HB3 LYS 56 3HB LYS 56 3.251 -5.800 9.338
459 HG2 LYS 56 2HG LYS 56 3.741 -3.820 10.579
460 HG3 LYS 56 3HG LYS 56 5.240 -4.732 10.371
461 HD2 LYS 56 2HD LYS 56 5.911 -3.204 8.548
462 HD3 LYS 56 3HD LYS 56 4.406 -2.303 8.742
463 HE2 LYS 56 2HE LYS 56 5.067 -1.561 10.945
464 HE3 LYS 56 3HE LYS 56 6.486 -2.616 10.929
465 HZ1 LYS 56 3HZ LYS 56 6.004 -0.315 9.121
466 HZ2 LYS 56 1HZ LYS 56 7.352 -1.342 9.075
467 HZ3 LYS 56 2HZ LYS 56 7.085 -0.358 10.422
468 H VAL 57 H VAL 57 3.057 -5.859 5.860
469 HA VAL 57 HA VAL 57 2.057 -8.536 6.267
470 HB VAL 57 HB VAL 57 1.650 -6.749 3.821
471 HG11 VAL 57 1HG1 VAL 57 -0.060 -9.021 4.902
472 HG12 VAL 57 2HG1 VAL 57 0.929 -9.067 3.443
473 HG13 VAL 57 3HG1 VAL 57 -0.477 -8.003 3.518
474 HG21 VAL 57 3HG2 VAL 57 1.023 -5.481 5.839
475 HG22 VAL 57 1HG2 VAL 57 -0.021 -6.806 6.364
476 HG23 VAL 57 2HG2 VAL 57 -0.414 -5.898 4.900
477 H LYS 58 H LYS 58 4.639 -7.104 4.410
478 HA LYS 58 HA LYS 58 5.461 -9.621 3.243
479 HB2 LYS 58 2HB LYS 58 5.602 -8.377 0.878
480 HB3 LYS 58 3HB LYS 58 4.140 -9.219 1.375
481 HG2 LYS 58 2HG LYS 58 3.001 -7.190 1.894
482 HG3 LYS 58 3HG LYS 58 4.484 -6.239 1.826
483 HD2 LYS 58 2HD LYS 58 2.892 -5.990 -0.148
484 HD3 LYS 58 3HD LYS 58 4.565 -6.355 -0.565
485 HE2 LYS 58 2HE LYS 58 2.950 -7.644 -1.924
486 HE3 LYS 58 3HE LYS 58 3.973 -8.706 -0.958
487 HZ1 LYS 58 3HZ LYS 58 1.205 -7.889 -0.275
488 HZ2 LYS 58 1HZ LYS 58 2.183 -8.935 0.626
489 HZ3 LYS 58 2HZ LYS 58 1.667 -9.381 -0.918
490 HA PRO 59 HA PRO 59 9.325 -7.157 3.958
491 HB2 PRO 59 2HB PRO 59 10.998 -9.315 4.249
492 HB3 PRO 59 3HB PRO 59 9.971 -8.731 5.580
493 HG2 PRO 59 2HG PRO 59 9.476 -11.019 3.690
494 HG3 PRO 59 3HG PRO 59 9.273 -10.959 5.456
495 HD2 PRO 59 2HD PRO 59 7.162 -10.673 3.760
496 HD3 PRO 59 3HD PRO 59 7.228 -9.842 5.326
497 H ASN 60 H ASN 60 8.317 -9.513 1.631
498 HA ASN 60 HA ASN 60 10.477 -8.968 -0.281
499 HB2 ASN 60 2HB ASN 60 8.062 -10.816 -0.447
500 HB3 ASN 60 3HB ASN 60 9.292 -10.658 -1.700
501 HD21 ASN 60 1HD2 ASN 60 10.412 -12.511 -1.656
502 HD22 ASN 60 2HD2 ASN 60 11.083 -13.242 -0.246
503 H ALA 61 H ALA 61 8.129 -7.113 0.717
504 HA ALA 61 HA ALA 61 6.339 -6.392 -1.216
505 HB1 ALA 61 3HB ALA 61 6.343 -4.139 -0.228
506 HB2 ALA 61 1HB ALA 61 7.881 -4.476 0.574
507 HB3 ALA 61 2HB ALA 61 6.432 -5.372 1.030
508 H THR 62 H THR 62 6.626 -5.956 -3.300
509 HA THR 62 HA THR 62 9.017 -4.525 -4.262
510 HB THR 62 HB THR 62 6.853 -5.965 -5.880
511 HG1 THR 62 HG1 THR 62 8.390 -7.202 -4.332
512 HG21 THR 62 3HG2 THR 62 8.521 -5.934 -7.698
513 HG22 THR 62 1HG2 THR 62 9.645 -5.050 -6.662
514 HG23 THR 62 2HG2 THR 62 8.137 -4.289 -7.179
515 H ILE 63 H ILE 63 8.611 -2.361 -3.963
516 HA ILE 63 HA ILE 63 5.921 -1.275 -4.549
517 HB ILE 63 HB ILE 63 8.044 -0.233 -2.604
518 HG12 ILE 63 2HG1 ILE 63 5.435 -1.709 -2.030
519 HG13 ILE 63 3HG1 ILE 63 7.040 -2.403 -1.890
520 HG21 ILE 63 1HG2 ILE 63 5.186 0.726 -3.022
521 HG22 ILE 63 2HG2 ILE 63 6.651 1.600 -3.477
522 HG23 ILE 63 3HG2 ILE 63 6.295 1.306 -1.774
523 HD11 ILE 63 3HD1 ILE 63 6.273 -1.935 0.276
524 HD12 ILE 63 1HD1 ILE 63 5.765 -0.306 -0.165
525 HD13 ILE 63 2HD1 ILE 63 7.483 -0.705 -0.088
526 H ARG 64 H ARG 64 5.793 0.164 -6.122
527 HA ARG 64 HA ARG 64 8.215 1.230 -7.440
528 HB2 ARG 64 2HB ARG 64 5.556 0.361 -8.676
529 HB3 ARG 64 3HB ARG 64 6.873 1.130 -9.566
530 HG2 ARG 64 2HG ARG 64 8.336 -0.795 -9.087
531 HG3 ARG 64 3HG ARG 64 7.043 -1.569 -8.164
532 HD2 ARG 64 2HD ARG 64 6.952 -0.898 -11.132
533 HD3 ARG 64 3HD ARG 64 7.247 -2.499 -10.450
534 HE ARG 64 HE ARG 64 4.923 -2.090 -9.359
535 HH11 ARG 64 1HH1 ARG 64 5.828 -1.146 -12.625
536 HH12 ARG 64 2HH1 ARG 64 4.213 -1.275 -13.239
537 HH21 ARG 64 1HH2 ARG 64 2.813 -2.241 -10.166
538 HH22 ARG 64 2HH2 ARG 64 2.502 -1.899 -11.834
539 H LYS 65 H LYS 65 8.306 3.370 -7.482
540 HA LYS 65 HA LYS 65 5.920 4.979 -6.747
541 HB2 LYS 65 2HB LYS 65 8.870 5.427 -6.178
542 HB3 LYS 65 3HB LYS 65 7.661 6.694 -5.985
543 HG2 LYS 65 2HG LYS 65 6.479 5.178 -4.341
544 HG3 LYS 65 3HG LYS 65 7.883 4.102 -4.428
545 HD2 LYS 65 2HD LYS 65 9.344 5.834 -3.561
546 HD3 LYS 65 3HD LYS 65 8.075 7.053 -3.686
547 HE2 LYS 65 2HE LYS 65 6.795 5.866 -1.932
548 HE3 LYS 65 3HE LYS 65 8.091 4.676 -1.803
549 HZ1 LYS 65 3HZ LYS 65 9.586 6.458 -1.151
550 HZ2 LYS 65 1HZ LYS 65 8.283 6.334 -0.087
551 HZ3 LYS 65 2HZ LYS 65 8.326 7.580 -1.240
552 H THR 66 H THR 66 5.516 6.879 -7.826
553 HA THR 66 HA THR 66 7.405 7.866 -9.825
554 HB THR 66 HB THR 66 5.857 6.660 -11.246
555 HG1 THR 66 HG1 THR 66 5.426 8.305 -12.592
556 HG21 THR 66 3HG2 THR 66 3.433 7.081 -11.319
557 HG22 THR 66 1HG2 THR 66 3.569 8.184 -9.946
558 HG23 THR 66 2HG2 THR 66 3.903 6.465 -9.733
559 H GLY 67 H GLY 67 7.669 9.977 -9.652
560 HA2 GLY 67 2HA GLY 67 6.092 12.053 -8.869
561 HA3 GLY 67 3HA GLY 67 6.629 11.341 -7.345
562 H GLY 68 H GLY 68 9.167 10.464 -8.116
563 HA2 GLY 68 2HA GLY 68 11.216 11.162 -9.133
564 HA3 GLY 68 3HA GLY 68 10.649 12.822 -9.131
565 H SER 69 H SER 69 9.679 12.199 -6.246
566 HA SER 69 HA SER 69 10.323 12.435 -4.121
567 HB2 SER 69 2HB SER 69 12.996 11.276 -4.993
568 HB3 SER 69 3HB SER 69 12.414 11.386 -3.329
569 HG SER 69 HG SER 69 10.514 10.181 -4.677
570 H LEU 70 H LEU 70 10.761 14.621 -6.067
571 HA LEU 70 HA LEU 70 13.060 16.125 -5.205
572 HB2 LEU 70 2HB LEU 70 10.581 17.202 -6.628
573 HB3 LEU 70 3HB LEU 70 12.122 18.014 -6.467
574 HG LEU 70 HG LEU 70 12.223 17.307 -8.674
575 HD11 LEU 70 1HD1 LEU 70 13.423 14.895 -7.310
576 HD12 LEU 70 2HD1 LEU 70 14.204 16.467 -7.496
577 HD13 LEU 70 3HD1 LEU 70 13.804 15.514 -8.922
578 HD21 LEU 70 3HD2 LEU 70 10.857 14.705 -7.953
579 HD22 LEU 70 1HD2 LEU 70 11.365 15.198 -9.574
580 HD23 LEU 70 2HD2 LEU 70 10.115 16.105 -8.729
581 H GLU 71 H GLU 71 13.183 17.658 -3.607
582 HA GLU 71 HA GLU 71 11.140 17.867 -1.602
583 HB2 GLU 71 2HB GLU 71 12.589 19.516 -0.518
584 HB3 GLU 71 3HB GLU 71 13.546 18.132 -1.034
585 HG2 GLU 71 2HG GLU 71 14.426 19.374 -2.917
586 HG3 GLU 71 3HG GLU 71 13.359 20.732 -2.576
587 H HIS 72 H HIS 72 9.993 19.843 -1.001
588 HA HIS 72 HA HIS 72 8.682 21.096 -3.193
589 HB2 HIS 72 2HB HIS 72 8.585 21.589 -0.191
590 HB3 HIS 72 3HB HIS 72 7.622 22.531 -1.324
591 HD1 HIS 72 HD1 HIS 72 5.301 21.731 -1.156
592 HD2 HIS 72 HD2 HIS 72 7.989 18.563 -1.007
593 HE1 HIS 72 HE1 HIS 72 3.898 19.663 -1.015
594 HE2 HIS 72 HE2 HIS 72 5.538 17.755 -0.923
595 H HIS 73 H HIS 73 9.425 22.702 -4.392
596 HA HIS 73 HA HIS 73 11.804 24.099 -4.038
597 HB2 HIS 73 2HB HIS 73 10.786 23.835 -6.240
598 HB3 HIS 73 3HB HIS 73 9.382 24.776 -5.759
599 HD1 HIS 73 HD1 HIS 73 9.866 27.383 -5.285
600 HD2 HIS 73 HD2 HIS 73 12.784 25.346 -7.431
601 HE1 HIS 73 HE1 HIS 73 11.223 29.151 -6.425
602 HE2 HIS 73 HE2 HIS 73 12.863 27.886 -7.858
603 H HIS 74 H HIS 74 12.330 25.636 -2.671
604 HA HIS 74 HA HIS 74 10.283 27.431 -1.489
605 HB2 HIS 74 2HB HIS 74 11.545 27.254 0.673
606 HB3 HIS 74 3HB HIS 74 10.826 25.734 0.168
607 HD1 HIS 74 HD1 HIS 74 13.881 27.013 1.500
608 HD2 HIS 74 HD2 HIS 74 12.919 24.015 -1.213
609 HE1 HIS 74 HE1 HIS 74 15.901 25.525 1.381
610 HE2 HIS 74 HE2 HIS 74 15.232 23.643 -0.151
611 H HIS 75 H HIS 75 10.696 29.477 -1.892
612 HA HIS 75 HA HIS 75 13.398 30.586 -1.971
613 HB2 HIS 75 2HB HIS 75 13.140 29.886 -4.288
614 HB3 HIS 75 3HB HIS 75 11.529 30.582 -4.382
615 HD1 HIS 75 HD1 HIS 75 11.389 32.896 -5.310
616 HD2 HIS 75 HD2 HIS 75 15.245 31.964 -4.062
617 HE1 HIS 75 HE1 HIS 75 12.825 34.824 -6.039
618 HE2 HIS 75 HE2 HIS 75 15.115 34.298 -5.143
619 H HIS 76 H HIS 76 12.735 31.704 -0.130
620 HA HIS 76 HA HIS 76 10.486 33.577 -0.264
621 HB2 HIS 76 2HB HIS 76 10.787 33.957 2.059
622 HB3 HIS 76 3HB HIS 76 11.144 32.250 1.867
623 HD1 HIS 76 HD1 HIS 76 12.588 35.447 3.014
624 HD2 HIS 76 HD2 HIS 76 13.973 31.617 2.169
625 HE1 HIS 76 HE1 HIS 76 14.859 35.299 4.074
626 HE2 HIS 76 HE2 HIS 76 15.650 32.958 3.602
627 H HIS 77 H HIS 77 11.020 35.856 0.665
628 HA HIS 77 HA HIS 77 13.586 36.929 -0.312
629 HB2 HIS 77 2HB HIS 77 11.859 37.254 -2.123
630 HB3 HIS 77 3HB HIS 77 10.878 38.180 -0.992
631 HD1 HIS 77 HD1 HIS 77 11.832 40.536 -0.260
632 HD2 HIS 77 HD2 HIS 77 13.948 38.663 -3.308
633 HE1 HIS 77 HE1 HIS 77 13.272 42.320 -1.282
634 HE2 HIS 77 HE2 HIS 77 14.624 41.133 -3.039
Start of MODEL 10
1 H1 MET 1 1H MET 1 -0.376 11.373 -6.150
2 H2 MET 1 2H MET 1 -1.112 12.715 -5.436
3 H3 MET 1 3H MET 1 -0.228 11.631 -4.490
4 HA MET 1 HA MET 1 0.870 13.343 -6.629
5 HB2 MET 1 2HB MET 1 1.107 13.559 -3.599
6 HB3 MET 1 3HB MET 1 2.058 14.513 -4.731
7 HG2 MET 1 2HG MET 1 -0.955 14.606 -4.469
8 HG3 MET 1 3HG MET 1 0.168 15.765 -3.776
9 HE1 MET 1 3HE MET 1 -1.427 15.760 -8.050
10 HE2 MET 1 1HE MET 1 -2.251 15.271 -6.570
11 HE3 MET 1 2HE MET 1 -1.032 14.218 -7.292
12 H VAL 2 H VAL 2 1.860 11.507 -3.700
13 HA VAL 2 HA VAL 2 4.067 10.279 -5.229
14 HB VAL 2 HB VAL 2 3.490 9.952 -2.241
15 HG11 VAL 2 1HG1 VAL 2 5.867 9.239 -2.126
16 HG12 VAL 2 2HG1 VAL 2 6.000 9.411 -3.878
17 HG13 VAL 2 3HG1 VAL 2 4.924 8.191 -3.192
18 HG21 VAL 2 3HG2 VAL 2 5.246 11.642 -1.819
19 HG22 VAL 2 1HG2 VAL 2 3.881 12.340 -2.695
20 HG23 VAL 2 2HG2 VAL 2 5.374 11.947 -3.552
21 H ASP 3 H ASP 3 3.497 8.468 -6.253
22 HA ASP 3 HA ASP 3 1.114 6.958 -5.383
23 HB2 ASP 3 2HB ASP 3 2.417 7.222 -8.129
24 HB3 ASP 3 3HB ASP 3 1.053 6.168 -7.777
25 H LEU 4 H LEU 4 1.472 5.079 -4.465
26 HA LEU 4 HA LEU 4 3.973 3.567 -4.916
27 HB2 LEU 4 2HB LEU 4 1.990 3.390 -2.603
28 HB3 LEU 4 3HB LEU 4 3.511 2.513 -2.730
29 HG LEU 4 HG LEU 4 3.231 5.534 -2.415
30 HD11 LEU 4 1HD1 LEU 4 2.599 4.345 -0.385
31 HD12 LEU 4 2HD1 LEU 4 4.120 5.207 -0.166
32 HD13 LEU 4 3HD1 LEU 4 4.127 3.456 -0.404
33 HD21 LEU 4 3HD2 LEU 4 5.743 3.825 -2.459
34 HD22 LEU 4 1HD2 LEU 4 5.672 5.554 -2.095
35 HD23 LEU 4 2HD2 LEU 4 5.238 4.976 -3.700
36 H LYS 5 H LYS 5 3.602 2.009 -6.413
37 HA LYS 5 HA LYS 5 1.053 0.512 -6.402
38 HB2 LYS 5 2HB LYS 5 3.253 0.487 -8.501
39 HB3 LYS 5 3HB LYS 5 1.711 -0.365 -8.596
40 HG2 LYS 5 2HG LYS 5 0.581 1.918 -8.512
41 HG3 LYS 5 3HG LYS 5 2.188 2.629 -8.709
42 HD2 LYS 5 2HD LYS 5 0.772 0.759 -10.653
43 HD3 LYS 5 3HD LYS 5 1.078 2.482 -10.883
44 HE2 LYS 5 2HE LYS 5 3.472 2.096 -11.041
45 HE3 LYS 5 3HE LYS 5 3.276 0.399 -10.599
46 HZ1 LYS 5 3HZ LYS 5 3.581 0.625 -12.950
47 HZ2 LYS 5 1HZ LYS 5 2.265 1.678 -13.075
48 HZ3 LYS 5 2HZ LYS 5 2.021 0.064 -12.636
49 H ILE 6 H ILE 6 1.141 -1.291 -5.175
50 HA ILE 6 HA ILE 6 3.759 -2.589 -4.691
51 HB ILE 6 HB ILE 6 1.179 -3.091 -3.152
52 HG12 ILE 6 2HG1 ILE 6 1.765 -0.713 -2.831
53 HG13 ILE 6 3HG1 ILE 6 2.053 -1.612 -1.347
54 HG21 ILE 6 1HG2 ILE 6 2.664 -4.094 -1.462
55 HG22 ILE 6 2HG2 ILE 6 4.071 -3.736 -2.465
56 HG23 ILE 6 3HG2 ILE 6 2.856 -4.888 -3.024
57 HD11 ILE 6 3HD1 ILE 6 4.136 -0.686 -3.316
58 HD12 ILE 6 1HD1 ILE 6 4.459 -1.629 -1.855
59 HD13 ILE 6 2HD1 ILE 6 3.791 -0.002 -1.730
60 H ASP 7 H ASP 7 4.084 -4.210 -6.135
61 HA ASP 7 HA ASP 7 2.093 -5.845 -7.333
62 HB2 ASP 7 2HB ASP 7 4.297 -5.728 -8.341
63 HB3 ASP 7 3HB ASP 7 5.062 -6.290 -6.864
64 H VAL 8 H VAL 8 0.868 -7.373 -6.402
65 HA VAL 8 HA VAL 8 1.744 -8.642 -3.874
66 HB VAL 8 HB VAL 8 -0.697 -8.860 -3.255
67 HG11 VAL 8 1HG1 VAL 8 -0.973 -6.546 -2.443
68 HG12 VAL 8 2HG1 VAL 8 0.302 -6.002 -3.539
69 HG13 VAL 8 3HG1 VAL 8 0.683 -7.119 -2.224
70 HG21 VAL 8 3HG2 VAL 8 -1.183 -6.886 -5.526
71 HG22 VAL 8 1HG2 VAL 8 -2.381 -7.404 -4.334
72 HG23 VAL 8 2HG2 VAL 8 -1.720 -8.567 -5.485
73 H SER 9 H SER 9 1.457 -10.808 -3.718
74 HA SER 9 HA SER 9 1.318 -12.412 -6.050
75 HB2 SER 9 2HB SER 9 2.705 -13.067 -4.145
76 HB3 SER 9 3HB SER 9 1.301 -13.129 -3.082
77 HG SER 9 HG SER 9 0.587 -14.939 -4.116
78 H ASP 10 H ASP 10 -0.918 -11.857 -3.322
79 HA ASP 10 HA ASP 10 -3.012 -13.450 -4.712
80 HB2 ASP 10 2HB ASP 10 -2.433 -13.177 -1.735
81 HB3 ASP 10 3HB ASP 10 -3.862 -13.977 -2.385
82 H ASP 11 H ASP 11 -5.208 -12.987 -3.692
83 HA ASP 11 HA ASP 11 -5.838 -10.137 -4.004
84 HB2 ASP 11 2HB ASP 11 -8.171 -10.824 -4.180
85 HB3 ASP 11 3HB ASP 11 -7.199 -11.837 -5.239
86 H GLU 12 H GLU 12 -5.938 -12.757 -1.654
87 HA GLU 12 HA GLU 12 -7.268 -11.419 0.475
88 HB2 GLU 12 2HB GLU 12 -7.058 -13.911 0.167
89 HB3 GLU 12 3HB GLU 12 -5.354 -13.799 0.569
90 HG2 GLU 12 2HG GLU 12 -7.498 -12.918 2.517
91 HG3 GLU 12 3HG GLU 12 -7.037 -14.607 2.385
92 H GLU 13 H GLU 13 -3.906 -11.765 -0.495
93 HA GLU 13 HA GLU 13 -2.676 -10.418 1.661
94 HB2 GLU 13 2HB GLU 13 -1.353 -11.782 0.151
95 HB3 GLU 13 3HB GLU 13 -1.769 -10.758 -1.222
96 HG2 GLU 13 2HG GLU 13 -0.478 -8.912 -0.321
97 HG3 GLU 13 3HG GLU 13 -0.206 -9.776 1.191
98 H ALA 14 H ALA 14 -3.864 -9.283 -1.496
99 HA ALA 14 HA ALA 14 -3.161 -6.604 -1.384
100 HB1 ALA 14 3HB ALA 14 -4.908 -6.248 -3.068
101 HB2 ALA 14 1HB ALA 14 -5.616 -7.819 -2.681
102 HB3 ALA 14 2HB ALA 14 -4.004 -7.728 -3.398
103 H GLU 15 H GLU 15 -6.113 -8.194 -0.209
104 HA GLU 15 HA GLU 15 -7.625 -6.115 0.727
105 HB2 GLU 15 2HB GLU 15 -7.175 -8.852 1.983
106 HB3 GLU 15 3HB GLU 15 -8.471 -7.760 2.466
107 HG2 GLU 15 2HG GLU 15 -8.123 -8.954 -0.296
108 HG3 GLU 15 3HG GLU 15 -9.222 -9.555 0.939
109 H LYS 16 H LYS 16 -5.063 -7.845 2.517
110 HA LYS 16 HA LYS 16 -5.387 -6.424 4.950
111 HB2 LYS 16 2HB LYS 16 -3.040 -8.114 4.001
112 HB3 LYS 16 3HB LYS 16 -3.280 -7.540 5.651
113 HG2 LYS 16 2HG LYS 16 -5.466 -8.839 5.677
114 HG3 LYS 16 3HG LYS 16 -4.978 -9.554 4.137
115 HD2 LYS 16 2HD LYS 16 -3.457 -9.765 6.771
116 HD3 LYS 16 3HD LYS 16 -4.445 -11.036 6.043
117 HE2 LYS 16 2HE LYS 16 -1.932 -9.850 4.806
118 HE3 LYS 16 3HE LYS 16 -2.028 -11.391 5.654
119 HZ1 LYS 16 3HZ LYS 16 -2.102 -11.656 3.257
120 HZ2 LYS 16 1HZ LYS 16 -3.514 -10.725 3.176
121 HZ3 LYS 16 2HZ LYS 16 -3.527 -12.209 3.981
122 H ILE 17 H ILE 17 -3.373 -5.846 2.116
123 HA ILE 17 HA ILE 17 -1.656 -3.877 3.247
124 HB ILE 17 HB ILE 17 -2.579 -4.130 0.348
125 HG12 ILE 17 2HG1 ILE 17 -1.502 -6.225 1.113
126 HG13 ILE 17 3HG1 ILE 17 -0.475 -5.394 -0.049
127 HG21 ILE 17 1HG2 ILE 17 -0.503 -2.886 -0.218
128 HG22 ILE 17 2HG2 ILE 17 -0.166 -2.679 1.503
129 HG23 ILE 17 3HG2 ILE 17 -1.593 -1.927 0.784
130 HD11 ILE 17 3HD1 ILE 17 0.773 -6.357 1.801
131 HD12 ILE 17 1HD1 ILE 17 -0.104 -5.347 2.945
132 HD13 ILE 17 2HD1 ILE 17 0.957 -4.607 1.740
133 H ILE 18 H ILE 18 -4.700 -3.653 1.380
134 HA ILE 18 HA ILE 18 -5.103 -0.903 1.375
135 HB ILE 18 HB ILE 18 -7.138 -3.179 1.389
136 HG12 ILE 18 2HG1 ILE 18 -5.969 -1.585 -0.941
137 HG13 ILE 18 3HG1 ILE 18 -5.516 -3.227 -0.506
138 HG21 ILE 18 1HG2 ILE 18 -8.281 -1.108 2.040
139 HG22 ILE 18 2HG2 ILE 18 -8.770 -1.595 0.418
140 HG23 ILE 18 3HG2 ILE 18 -7.615 -0.277 0.632
141 HD11 ILE 18 3HD1 ILE 18 -6.990 -3.223 -2.412
142 HD12 ILE 18 1HD1 ILE 18 -8.220 -2.333 -1.517
143 HD13 ILE 18 2HD1 ILE 18 -7.797 -3.981 -1.041
144 H ARG 19 H ARG 19 -6.070 -3.327 3.793
145 HA ARG 19 HA ARG 19 -7.556 -1.624 5.509
146 HB2 ARG 19 2HB ARG 19 -6.100 -4.228 6.127
147 HB3 ARG 19 3HB ARG 19 -7.265 -3.449 7.202
148 HG2 ARG 19 2HG ARG 19 -9.059 -3.799 5.613
149 HG3 ARG 19 3HG ARG 19 -7.928 -4.413 4.404
150 HD2 ARG 19 2HD ARG 19 -7.381 -6.304 5.941
151 HD3 ARG 19 3HD ARG 19 -8.628 -5.718 7.055
152 HE ARG 19 HE ARG 19 -9.879 -6.007 4.614
153 HH11 ARG 19 1HH1 ARG 19 -8.186 -8.152 6.832
154 HH12 ARG 19 2HH1 ARG 19 -9.097 -9.546 6.356
155 HH21 ARG 19 1HH2 ARG 19 -11.034 -7.850 3.980
156 HH22 ARG 19 2HH2 ARG 19 -10.709 -9.374 4.739
157 H GLU 20 H GLU 20 -4.207 -2.837 5.670
158 HA GLU 20 HA GLU 20 -3.299 -1.734 8.028
159 HB2 GLU 20 2HB GLU 20 -2.001 -3.345 6.704
160 HB3 GLU 20 3HB GLU 20 -1.825 -2.183 5.398
161 HG2 GLU 20 2HG GLU 20 0.267 -2.366 6.599
162 HG3 GLU 20 3HG GLU 20 -0.414 -0.761 6.852
163 H ILE 21 H ILE 21 -3.216 -0.267 4.783
164 HA ILE 21 HA ILE 21 -1.887 2.118 5.597
165 HB ILE 21 HB ILE 21 -3.393 1.492 3.026
166 HG12 ILE 21 2HG1 ILE 21 -1.520 -0.059 3.359
167 HG13 ILE 21 3HG1 ILE 21 -1.124 1.056 2.063
168 HG21 ILE 21 1HG2 ILE 21 -1.442 3.758 3.580
169 HG22 ILE 21 2HG2 ILE 21 -3.177 3.922 3.298
170 HG23 ILE 21 3HG2 ILE 21 -2.128 3.355 2.000
171 HD11 ILE 21 3HD1 ILE 21 0.308 2.322 3.615
172 HD12 ILE 21 1HD1 ILE 21 0.789 0.633 3.456
173 HD13 ILE 21 2HD1 ILE 21 -0.082 1.164 4.893
174 H ARG 22 H ARG 22 -5.323 1.358 4.869
175 HA ARG 22 HA ARG 22 -6.112 4.124 4.958
176 HB2 ARG 22 2HB ARG 22 -7.796 1.608 4.837
177 HB3 ARG 22 3HB ARG 22 -8.442 3.245 4.710
178 HG2 ARG 22 2HG ARG 22 -6.971 3.594 2.696
179 HG3 ARG 22 3HG ARG 22 -6.523 1.889 2.785
180 HD2 ARG 22 2HD ARG 22 -8.261 2.121 1.142
181 HD3 ARG 22 3HD ARG 22 -8.952 1.312 2.548
182 HE ARG 22 HE ARG 22 -9.769 3.639 3.173
183 HH11 ARG 22 1HH1 ARG 22 -9.461 2.574 -0.177
184 HH12 ARG 22 2HH1 ARG 22 -10.696 3.646 -0.748
185 HH21 ARG 22 1HH2 ARG 22 -11.343 5.065 2.401
186 HH22 ARG 22 2HH2 ARG 22 -11.765 5.062 0.721
187 H GLU 23 H GLU 23 -6.055 1.552 7.371
188 HA GLU 23 HA GLU 23 -7.798 2.843 9.265
189 HB2 GLU 23 2HB GLU 23 -5.727 0.636 9.591
190 HB3 GLU 23 3HB GLU 23 -6.737 1.215 10.919
191 HG2 GLU 23 2HG GLU 23 -8.764 0.574 9.633
192 HG3 GLU 23 3HG GLU 23 -7.735 -0.043 8.342
193 H GLN 24 H GLN 24 -4.386 2.968 8.559
194 HA GLN 24 HA GLN 24 -3.629 4.584 10.857
195 HB2 GLN 24 2HB GLN 24 -2.154 3.966 8.267
196 HB3 GLN 24 3HB GLN 24 -1.452 4.856 9.615
197 HG2 GLN 24 2HG GLN 24 -1.668 2.863 11.039
198 HG3 GLN 24 3HG GLN 24 -2.361 1.962 9.685
199 HE21 GLN 24 1HE2 GLN 24 -1.004 1.453 7.903
200 HE22 GLN 24 2HE2 GLN 24 0.712 1.449 8.050
201 H TRP 25 H TRP 25 -3.871 5.158 7.349
202 HA TRP 25 HA TRP 25 -4.270 8.055 7.771
203 HB2 TRP 25 2HB TRP 25 -3.239 6.644 5.277
204 HB3 TRP 25 3HB TRP 25 -3.371 8.385 5.502
205 HD1 TRP 25 HD1 TRP 25 -1.542 9.528 7.208
206 HE1 TRP 25 HE1 TRP 25 0.822 8.775 7.876
207 HE3 TRP 25 HE3 TRP 25 -1.752 4.642 5.693
208 HZ2 TRP 25 HZ2 TRP 25 2.385 6.449 7.800
209 HZ3 TRP 25 HZ3 TRP 25 0.225 3.217 6.033
210 HH2 TRP 25 HH2 TRP 25 2.258 4.107 7.065
211 HA PRO 26 HA PRO 26 -8.435 6.624 6.257
212 HB2 PRO 26 2HB PRO 26 -9.804 8.829 7.260
213 HB3 PRO 26 3HB PRO 26 -9.442 7.377 8.216
214 HG2 PRO 26 2HG PRO 26 -7.972 9.997 8.152
215 HG3 PRO 26 3HG PRO 26 -8.413 8.988 9.549
216 HD2 PRO 26 2HD PRO 26 -5.908 8.964 8.522
217 HD3 PRO 26 3HD PRO 26 -6.641 7.497 9.207
218 H LYS 27 H LYS 27 -6.741 9.653 5.919
219 HA LYS 27 HA LYS 27 -8.262 10.528 3.583
220 HB2 LYS 27 2HB LYS 27 -6.583 12.531 3.791
221 HB3 LYS 27 3HB LYS 27 -7.876 12.352 4.958
222 HG2 LYS 27 2HG LYS 27 -5.925 13.013 6.152
223 HG3 LYS 27 3HG LYS 27 -6.239 11.322 6.547
224 HD2 LYS 27 2HD LYS 27 -4.438 10.612 5.006
225 HD3 LYS 27 3HD LYS 27 -4.147 12.291 4.543
226 HE2 LYS 27 2HE LYS 27 -3.490 12.799 6.875
227 HE3 LYS 27 3HE LYS 27 -3.769 11.116 7.316
228 HZ1 LYS 27 3HZ LYS 27 -1.474 11.422 6.966
229 HZ2 LYS 27 1HZ LYS 27 -1.713 12.169 5.469
230 HZ3 LYS 27 2HZ LYS 27 -2.048 10.528 5.655
231 H ALA 28 H ALA 28 -6.791 8.096 3.196
232 HA ALA 28 HA ALA 28 -4.551 8.862 1.419
233 HB1 ALA 28 3HB ALA 28 -3.685 7.544 3.312
234 HB2 ALA 28 1HB ALA 28 -3.618 6.597 1.826
235 HB3 ALA 28 2HB ALA 28 -4.888 6.288 3.014
236 H THR 29 H THR 29 -5.377 8.648 -0.715
237 HA THR 29 HA THR 29 -7.791 7.181 -1.186
238 HB THR 29 HB THR 29 -5.872 8.448 -3.183
239 HG1 THR 29 HG1 THR 29 -7.675 9.547 -1.419
240 HG21 THR 29 3HG2 THR 29 -8.817 7.728 -3.463
241 HG22 THR 29 1HG2 THR 29 -7.470 6.899 -4.260
242 HG23 THR 29 2HG2 THR 29 -7.843 8.572 -4.668
243 H VAL 30 H VAL 30 -7.592 4.991 -1.012
244 HA VAL 30 HA VAL 30 -5.512 3.616 -2.624
245 HB VAL 30 HB VAL 30 -6.958 2.522 -0.166
246 HG11 VAL 30 1HG1 VAL 30 -6.397 0.739 -1.794
247 HG12 VAL 30 2HG1 VAL 30 -5.408 0.600 -0.338
248 HG13 VAL 30 3HG1 VAL 30 -4.715 1.281 -1.813
249 HG21 VAL 30 3HG2 VAL 30 -4.761 2.662 0.975
250 HG22 VAL 30 1HG2 VAL 30 -5.314 4.260 0.461
251 HG23 VAL 30 2HG2 VAL 30 -4.062 3.421 -0.457
252 H THR 31 H THR 31 -6.196 2.424 -4.227
253 HA THR 31 HA THR 31 -9.074 2.214 -4.818
254 HB THR 31 HB THR 31 -6.664 1.666 -6.616
255 HG1 THR 31 HG1 THR 31 -6.547 3.791 -6.347
256 HG21 THR 31 3HG2 THR 31 -9.581 2.134 -7.352
257 HG22 THR 31 1HG2 THR 31 -8.750 0.577 -7.430
258 HG23 THR 31 2HG2 THR 31 -8.253 1.899 -8.490
259 H ARG 32 H ARG 32 -10.059 0.128 -5.363
260 HA ARG 32 HA ARG 32 -8.881 -2.177 -4.072
261 HB2 ARG 32 2HB ARG 32 -11.363 -1.625 -4.004
262 HB3 ARG 32 3HB ARG 32 -11.437 -1.963 -5.729
263 HG2 ARG 32 2HG ARG 32 -12.239 -3.910 -4.628
264 HG3 ARG 32 3HG ARG 32 -10.622 -4.311 -5.211
265 HD2 ARG 32 2HD ARG 32 -10.928 -5.181 -2.953
266 HD3 ARG 32 3HD ARG 32 -9.729 -3.884 -2.916
267 HE ARG 32 HE ARG 32 -11.884 -2.489 -2.309
268 HH11 ARG 32 1HH1 ARG 32 -11.003 -5.650 -1.051
269 HH12 ARG 32 2HH1 ARG 32 -11.831 -5.409 0.452
270 HH21 ARG 32 1HH2 ARG 32 -12.998 -2.218 -0.361
271 HH22 ARG 32 2HH2 ARG 32 -12.955 -3.471 0.840
272 H THR 33 H THR 33 -7.396 -3.330 -5.188
273 HA THR 33 HA THR 33 -7.620 -3.722 -8.061
274 HB THR 33 HB THR 33 -6.327 -1.756 -8.171
275 HG1 THR 33 HG1 THR 33 -5.338 -3.804 -9.126
276 HG21 THR 33 3HG2 THR 33 -5.820 -1.461 -5.813
277 HG22 THR 33 1HG2 THR 33 -4.354 -1.285 -6.777
278 HG23 THR 33 2HG2 THR 33 -4.639 -2.773 -5.875
279 H ASN 34 H ASN 34 -6.880 -5.663 -8.671
280 HA ASN 34 HA ASN 34 -5.602 -7.405 -6.634
281 HB2 ASN 34 2HB ASN 34 -7.879 -8.125 -7.342
282 HB3 ASN 34 3HB ASN 34 -7.333 -8.213 -9.013
283 HD21 ASN 34 1HD2 ASN 34 -7.778 -10.406 -9.191
284 HD22 ASN 34 2HD2 ASN 34 -6.870 -11.620 -8.363
285 H GLY 35 H GLY 35 -3.593 -8.123 -7.060
286 HA2 GLY 35 2HA GLY 35 -1.829 -8.939 -8.468
287 HA3 GLY 35 3HA GLY 35 -2.467 -7.996 -9.809
288 H ASP 36 H ASP 36 -2.934 -5.634 -8.209
289 HA ASP 36 HA ASP 36 -0.216 -4.745 -7.445
290 HB2 ASP 36 2HB ASP 36 -2.232 -3.186 -9.146
291 HB3 ASP 36 3HB ASP 36 -0.729 -2.523 -8.519
292 H ILE 37 H ILE 37 -0.377 -2.645 -6.161
293 HA ILE 37 HA ILE 37 -3.006 -2.158 -4.878
294 HB ILE 37 HB ILE 37 -0.309 -2.120 -3.466
295 HG12 ILE 37 2HG1 ILE 37 -1.426 -4.342 -3.557
296 HG13 ILE 37 3HG1 ILE 37 -1.324 -3.736 -1.909
297 HG21 ILE 37 1HG2 ILE 37 -1.468 -1.242 -1.445
298 HG22 ILE 37 2HG2 ILE 37 -2.951 -1.053 -2.386
299 HG23 ILE 37 3HG2 ILE 37 -1.525 -0.093 -2.784
300 HD11 ILE 37 3HD1 ILE 37 -3.450 -4.777 -2.313
301 HD12 ILE 37 1HD1 ILE 37 -3.772 -3.704 -3.670
302 HD13 ILE 37 2HD1 ILE 37 -3.685 -3.058 -2.026
303 H LYS 38 H LYS 38 -3.658 -0.268 -5.666
304 HA LYS 38 HA LYS 38 -1.738 1.766 -6.526
305 HB2 LYS 38 2HB LYS 38 -4.762 1.586 -6.907
306 HB3 LYS 38 3HB LYS 38 -3.722 2.838 -7.592
307 HG2 LYS 38 2HG LYS 38 -2.508 1.118 -8.893
308 HG3 LYS 38 3HG LYS 38 -3.546 -0.136 -8.206
309 HD2 LYS 38 2HD LYS 38 -5.512 0.888 -9.292
310 HD3 LYS 38 3HD LYS 38 -4.493 2.172 -9.952
311 HE2 LYS 38 2HE LYS 38 -4.919 0.519 -11.683
312 HE3 LYS 38 3HE LYS 38 -3.216 0.440 -11.229
313 HZ1 LYS 38 3HZ LYS 38 -4.087 -1.763 -11.437
314 HZ2 LYS 38 1HZ LYS 38 -5.371 -1.427 -10.392
315 HZ3 LYS 38 2HZ LYS 38 -3.792 -1.485 -9.797
316 H LEU 39 H LEU 39 -1.096 2.977 -4.938
317 HA LEU 39 HA LEU 39 -2.900 3.782 -2.729
318 HB2 LEU 39 2HB LEU 39 -1.026 2.042 -2.287
319 HB3 LEU 39 3HB LEU 39 0.120 3.330 -2.591
320 HG LEU 39 HG LEU 39 -1.898 3.259 -0.302
321 HD11 LEU 39 1HD1 LEU 39 -0.154 1.575 -0.023
322 HD12 LEU 39 2HD1 LEU 39 0.055 2.876 1.146
323 HD13 LEU 39 3HD1 LEU 39 1.102 2.795 -0.275
324 HD21 LEU 39 3HD2 LEU 39 0.334 5.249 -0.828
325 HD22 LEU 39 1HD2 LEU 39 -0.670 5.178 0.624
326 HD23 LEU 39 2HD2 LEU 39 -1.399 5.571 -0.929
327 H ASP 40 H ASP 40 -3.096 5.955 -2.555
328 HA ASP 40 HA ASP 40 -1.209 7.696 -4.048
329 HB2 ASP 40 2HB ASP 40 -3.391 7.809 -5.109
330 HB3 ASP 40 3HB ASP 40 -4.189 8.053 -3.560
331 H ALA 41 H ALA 41 0.135 8.169 -2.496
332 HA ALA 41 HA ALA 41 -0.657 9.264 0.078
333 HB1 ALA 41 3HB ALA 41 1.386 7.917 -0.092
334 HB2 ALA 41 1HB ALA 41 1.769 9.553 0.451
335 HB3 ALA 41 2HB ALA 41 2.086 9.074 -1.221
336 H GLN 42 H GLN 42 -0.538 11.386 0.660
337 HA GLN 42 HA GLN 42 -0.793 13.367 -1.471
338 HB2 GLN 42 2HB GLN 42 -1.131 13.787 1.529
339 HB3 GLN 42 3HB GLN 42 -1.782 14.774 0.221
340 HG2 GLN 42 2HG GLN 42 -2.643 11.962 0.983
341 HG3 GLN 42 3HG GLN 42 -3.559 13.450 1.220
342 HE21 GLN 42 1HE2 GLN 42 -4.138 10.935 -0.290
343 HE22 GLN 42 2HE2 GLN 42 -4.572 11.452 -1.881
344 H THR 43 H THR 43 1.292 12.502 1.202
345 HA THR 43 HA THR 43 3.291 14.544 0.426
346 HB THR 43 HB THR 43 3.960 14.563 2.905
347 HG1 THR 43 HG1 THR 43 1.517 13.130 3.067
348 HG21 THR 43 3HG2 THR 43 2.733 16.474 1.916
349 HG22 THR 43 1HG2 THR 43 2.245 16.190 3.591
350 HG23 THR 43 2HG2 THR 43 1.203 15.668 2.268
351 H GLU 44 H GLU 44 5.483 13.866 0.622
352 HA GLU 44 HA GLU 44 5.997 11.123 0.057
353 HB2 GLU 44 2HB GLU 44 7.382 12.925 -0.899
354 HB3 GLU 44 3HB GLU 44 7.958 13.363 0.709
355 HG2 GLU 44 2HG GLU 44 8.983 11.063 0.902
356 HG3 GLU 44 3HG GLU 44 8.503 10.755 -0.766
357 H LYS 45 H LYS 45 6.430 13.148 2.933
358 HA LYS 45 HA LYS 45 7.941 11.354 4.512
359 HB2 LYS 45 2HB LYS 45 5.983 13.506 5.412
360 HB3 LYS 45 3HB LYS 45 7.193 12.746 6.434
361 HG2 LYS 45 2HG LYS 45 7.662 14.635 4.110
362 HG3 LYS 45 3HG LYS 45 7.944 14.948 5.816
363 HD2 LYS 45 2HD LYS 45 10.119 14.480 5.273
364 HD3 LYS 45 3HD LYS 45 9.612 12.803 5.472
365 HE2 LYS 45 2HE LYS 45 9.154 12.740 2.990
366 HE3 LYS 45 3HE LYS 45 9.832 14.366 2.879
367 HZ1 LYS 45 3HZ LYS 45 11.259 11.938 3.807
368 HZ2 LYS 45 1HZ LYS 45 11.920 13.499 3.741
369 HZ3 LYS 45 2HZ LYS 45 11.458 12.711 2.316
370 H GLU 46 H GLU 46 4.611 11.397 3.649
371 HA GLU 46 HA GLU 46 3.592 9.648 5.724
372 HB2 GLU 46 2HB GLU 46 2.154 11.362 4.809
373 HB3 GLU 46 3HB GLU 46 2.497 10.861 3.162
374 HG2 GLU 46 2HG GLU 46 1.245 8.740 3.622
375 HG3 GLU 46 3HG GLU 46 0.813 9.389 5.205
376 H ALA 47 H ALA 47 4.404 9.575 2.278
377 HA ALA 47 HA ALA 47 3.627 6.963 1.626
378 HB1 ALA 47 3HB ALA 47 4.080 8.722 -0.036
379 HB2 ALA 47 1HB ALA 47 4.988 7.250 -0.388
380 HB3 ALA 47 2HB ALA 47 5.801 8.642 0.342
381 H GLU 48 H GLU 48 6.628 8.186 2.987
382 HA GLU 48 HA GLU 48 8.273 5.920 2.510
383 HB2 GLU 48 2HB GLU 48 8.529 8.181 4.536
384 HB3 GLU 48 3HB GLU 48 9.794 6.997 4.199
385 HG2 GLU 48 2HG GLU 48 10.025 7.781 1.921
386 HG3 GLU 48 3HG GLU 48 8.615 8.825 2.082
387 H LYS 49 H LYS 49 5.998 6.706 5.056
388 HA LYS 49 HA LYS 49 6.718 4.421 6.727
389 HB2 LYS 49 2HB LYS 49 4.352 6.338 6.892
390 HB3 LYS 49 3HB LYS 49 4.759 5.120 8.100
391 HG2 LYS 49 2HG LYS 49 6.911 6.279 8.515
392 HG3 LYS 49 3HG LYS 49 6.448 7.532 7.355
393 HD2 LYS 49 2HD LYS 49 4.526 8.156 8.768
394 HD3 LYS 49 3HD LYS 49 4.898 6.849 9.898
395 HE2 LYS 49 2HE LYS 49 7.070 7.946 10.403
396 HE3 LYS 49 3HE LYS 49 6.644 9.262 9.312
397 HZ1 LYS 49 3HZ LYS 49 5.233 8.517 11.810
398 HZ2 LYS 49 1HZ LYS 49 4.730 9.729 10.744
399 HZ3 LYS 49 2HZ LYS 49 6.194 9.880 11.567
400 H MET 50 H MET 50 4.115 5.426 4.634
401 HA MET 50 HA MET 50 2.365 3.303 4.557
402 HB2 MET 50 2HB MET 50 3.270 5.045 2.257
403 HB3 MET 50 3HB MET 50 2.001 3.842 2.058
404 HG2 MET 50 2HG MET 50 0.640 4.953 3.720
405 HG3 MET 50 3HG MET 50 1.917 6.138 4.017
406 HE1 MET 50 3HE MET 50 -1.251 7.677 1.954
407 HE2 MET 50 1HE MET 50 -0.597 7.514 3.583
408 HE3 MET 50 2HE MET 50 -1.365 6.132 2.796
409 H GLU 51 H GLU 51 5.042 3.561 2.204
410 HA GLU 51 HA GLU 51 4.930 1.025 1.087
411 HB2 GLU 51 2HB GLU 51 7.168 1.501 0.229
412 HB3 GLU 51 3HB GLU 51 6.195 2.962 0.175
413 HG2 GLU 51 2HG GLU 51 7.290 3.752 2.255
414 HG3 GLU 51 3HG GLU 51 8.291 2.306 2.269
415 H LYS 52 H LYS 52 6.439 2.073 4.062
416 HA LYS 52 HA LYS 52 8.062 -0.254 4.510
417 HB2 LYS 52 2HB LYS 52 8.589 2.027 5.431
418 HB3 LYS 52 3HB LYS 52 7.192 1.884 6.489
419 HG2 LYS 52 2HG LYS 52 9.159 1.375 7.770
420 HG3 LYS 52 3HG LYS 52 8.242 -0.113 7.560
421 HD2 LYS 52 2HD LYS 52 10.485 -0.759 7.222
422 HD3 LYS 52 3HD LYS 52 9.841 -0.623 5.587
423 HE2 LYS 52 2HE LYS 52 11.493 1.504 6.998
424 HE3 LYS 52 3HE LYS 52 12.125 0.333 5.845
425 HZ1 LYS 52 3HZ LYS 52 10.537 1.304 4.204
426 HZ2 LYS 52 1HZ LYS 52 11.777 2.341 4.693
427 HZ3 LYS 52 2HZ LYS 52 10.220 2.538 5.311
428 H ALA 53 H ALA 53 4.912 0.919 5.653
429 HA ALA 53 HA ALA 53 4.321 -1.103 7.548
430 HB1 ALA 53 3HB ALA 53 2.016 -0.246 7.429
431 HB2 ALA 53 1HB ALA 53 2.420 0.658 5.966
432 HB3 ALA 53 2HB ALA 53 3.181 1.079 7.504
433 H VAL 54 H VAL 54 3.807 -0.828 4.092
434 HA VAL 54 HA VAL 54 2.297 -3.131 3.579
435 HB VAL 54 HB VAL 54 4.465 -1.814 1.887
436 HG11 VAL 54 1HG1 VAL 54 2.357 -3.817 1.019
437 HG12 VAL 54 2HG1 VAL 54 4.091 -4.125 1.126
438 HG13 VAL 54 3HG1 VAL 54 3.479 -2.966 -0.051
439 HG21 VAL 54 3HG2 VAL 54 2.597 -0.737 0.684
440 HG22 VAL 54 1HG2 VAL 54 2.569 -0.312 2.398
441 HG23 VAL 54 2HG2 VAL 54 1.441 -1.515 1.769
442 H LYS 55 H LYS 55 5.849 -2.696 3.808
443 HA LYS 55 HA LYS 55 6.631 -5.352 3.371
444 HB2 LYS 55 2HB LYS 55 8.043 -3.155 4.924
445 HB3 LYS 55 3HB LYS 55 8.778 -4.722 4.584
446 HG2 LYS 55 2HG LYS 55 8.484 -4.279 2.136
447 HG3 LYS 55 3HG LYS 55 7.899 -2.657 2.536
448 HD2 LYS 55 2HD LYS 55 10.049 -2.067 3.524
449 HD3 LYS 55 3HD LYS 55 10.634 -3.726 3.348
450 HE2 LYS 55 2HE LYS 55 9.996 -1.795 1.093
451 HE3 LYS 55 3HE LYS 55 11.601 -2.307 1.615
452 HZ1 LYS 55 3HZ LYS 55 11.074 -4.563 0.943
453 HZ2 LYS 55 1HZ LYS 55 10.875 -3.498 -0.354
454 HZ3 LYS 55 2HZ LYS 55 9.523 -4.092 0.458
455 H LYS 56 H LYS 56 5.358 -3.885 6.292
456 HA LYS 56 HA LYS 56 6.099 -5.944 8.131
457 HB2 LYS 56 2HB LYS 56 4.062 -3.713 8.183
458 HB3 LYS 56 3HB LYS 56 3.936 -4.982 9.383
459 HG2 LYS 56 2HG LYS 56 5.076 -3.124 10.361
460 HG3 LYS 56 3HG LYS 56 6.222 -4.445 10.179
461 HD2 LYS 56 2HD LYS 56 6.115 -2.345 8.022
462 HD3 LYS 56 3HD LYS 56 6.846 -1.914 9.564
463 HE2 LYS 56 2HE LYS 56 7.715 -4.229 7.801
464 HE3 LYS 56 3HE LYS 56 8.527 -2.668 7.924
465 HZ1 LYS 56 3HZ LYS 56 8.928 -3.125 10.285
466 HZ2 LYS 56 1HZ LYS 56 9.631 -4.303 9.290
467 HZ3 LYS 56 2HZ LYS 56 8.203 -4.646 10.124
468 H VAL 57 H VAL 57 3.422 -5.523 5.899
469 HA VAL 57 HA VAL 57 1.988 -7.908 6.784
470 HB VAL 57 HB VAL 57 1.444 -6.112 4.378
471 HG11 VAL 57 1HG1 VAL 57 -0.864 -7.012 4.492
472 HG12 VAL 57 2HG1 VAL 57 -0.378 -8.081 5.811
473 HG13 VAL 57 3HG1 VAL 57 0.318 -8.293 4.203
474 HG21 VAL 57 3HG2 VAL 57 1.388 -4.774 6.445
475 HG22 VAL 57 1HG2 VAL 57 0.261 -5.925 7.173
476 HG23 VAL 57 2HG2 VAL 57 -0.238 -4.959 5.780
477 H LYS 58 H LYS 58 4.355 -7.007 4.392
478 HA LYS 58 HA LYS 58 4.661 -9.682 3.403
479 HB2 LYS 58 2HB LYS 58 4.399 -9.110 0.966
480 HB3 LYS 58 3HB LYS 58 2.890 -9.139 1.866
481 HG2 LYS 58 2HG LYS 58 2.914 -6.657 1.949
482 HG3 LYS 58 3HG LYS 58 4.404 -6.647 1.010
483 HD2 LYS 58 2HD LYS 58 1.798 -7.855 0.007
484 HD3 LYS 58 3HD LYS 58 2.259 -6.180 -0.286
485 HE2 LYS 58 2HE LYS 58 2.822 -7.399 -2.257
486 HE3 LYS 58 3HE LYS 58 4.341 -7.064 -1.436
487 HZ1 LYS 58 3HZ LYS 58 2.871 -9.634 -1.355
488 HZ2 LYS 58 1HZ LYS 58 4.351 -9.328 -0.610
489 HZ3 LYS 58 2HZ LYS 58 4.232 -9.315 -2.294
490 HA PRO 59 HA PRO 59 8.691 -7.469 3.936
491 HB2 PRO 59 2HB PRO 59 9.681 -10.303 3.643
492 HB3 PRO 59 3HB PRO 59 10.072 -9.096 4.890
493 HG2 PRO 59 2HG PRO 59 8.450 -11.109 5.485
494 HG3 PRO 59 3HG PRO 59 8.088 -9.469 6.074
495 HD2 PRO 59 2HD PRO 59 6.852 -10.947 3.750
496 HD3 PRO 59 3HD PRO 59 6.062 -9.969 5.009
497 H ASN 60 H ASN 60 7.790 -9.731 1.426
498 HA ASN 60 HA ASN 60 10.041 -9.031 -0.320
499 HB2 ASN 60 2HB ASN 60 7.710 -10.960 -0.721
500 HB3 ASN 60 3HB ASN 60 9.065 -10.774 -1.829
501 HD21 ASN 60 1HD2 ASN 60 11.165 -10.615 0.134
502 HD22 ASN 60 2HD2 ASN 60 11.274 -12.169 0.873
503 H ALA 61 H ALA 61 7.709 -7.155 0.435
504 HA ALA 61 HA ALA 61 6.029 -6.593 -1.685
505 HB1 ALA 61 3HB ALA 61 5.852 -4.319 -0.756
506 HB2 ALA 61 1HB ALA 61 7.309 -4.590 0.209
507 HB3 ALA 61 2HB ALA 61 5.848 -5.527 0.531
508 H THR 62 H THR 62 6.615 -6.362 -3.764
509 HA THR 62 HA THR 62 8.991 -4.908 -4.596
510 HB THR 62 HB THR 62 6.715 -5.989 -6.326
511 HG1 THR 62 HG1 THR 62 8.707 -7.313 -4.959
512 HG21 THR 62 3HG2 THR 62 9.622 -5.389 -7.022
513 HG22 THR 62 1HG2 THR 62 8.224 -4.421 -7.513
514 HG23 THR 62 2HG2 THR 62 8.412 -6.067 -8.114
515 H ILE 63 H ILE 63 8.807 -2.750 -4.164
516 HA ILE 63 HA ILE 63 6.214 -1.402 -4.377
517 HB ILE 63 HB ILE 63 8.811 -0.441 -3.088
518 HG12 ILE 63 2HG1 ILE 63 6.366 -1.687 -1.747
519 HG13 ILE 63 3HG1 ILE 63 7.892 -2.517 -2.018
520 HG21 ILE 63 1HG2 ILE 63 7.319 1.424 -3.703
521 HG22 ILE 63 2HG2 ILE 63 7.389 1.240 -1.950
522 HG23 ILE 63 3HG2 ILE 63 5.983 0.656 -2.841
523 HD11 ILE 63 3HD1 ILE 63 7.427 -0.156 -0.213
524 HD12 ILE 63 1HD1 ILE 63 9.002 -0.882 -0.544
525 HD13 ILE 63 2HD1 ILE 63 7.745 -1.822 0.253
526 H ARG 64 H ARG 64 5.840 -0.373 -6.173
527 HA ARG 64 HA ARG 64 7.945 0.827 -7.838
528 HB2 ARG 64 2HB ARG 64 4.937 0.558 -8.304
529 HB3 ARG 64 3HB ARG 64 6.081 1.254 -9.451
530 HG2 ARG 64 2HG ARG 64 6.075 -1.628 -8.486
531 HG3 ARG 64 3HG ARG 64 5.460 -1.057 -10.038
532 HD2 ARG 64 2HD ARG 64 7.781 -0.223 -10.562
533 HD3 ARG 64 3HD ARG 64 8.341 -1.009 -9.081
534 HE ARG 64 HE ARG 64 7.187 -3.064 -10.265
535 HH11 ARG 64 1HH1 ARG 64 9.287 -0.649 -11.707
536 HH12 ARG 64 2HH1 ARG 64 9.902 -1.727 -12.916
537 HH21 ARG 64 1HH2 ARG 64 7.956 -4.460 -11.879
538 HH22 ARG 64 2HH2 ARG 64 9.142 -3.892 -13.013
539 H LYS 65 H LYS 65 8.567 2.715 -6.965
540 HA LYS 65 HA LYS 65 6.583 4.431 -5.592
541 HB2 LYS 65 2HB LYS 65 8.282 3.548 -4.071
542 HB3 LYS 65 3HB LYS 65 9.574 4.105 -5.129
543 HG2 LYS 65 2HG LYS 65 8.989 6.445 -4.668
544 HG3 LYS 65 3HG LYS 65 7.622 5.926 -3.673
545 HD2 LYS 65 2HD LYS 65 9.170 4.847 -2.089
546 HD3 LYS 65 3HD LYS 65 10.544 5.314 -3.091
547 HE2 LYS 65 2HE LYS 65 10.092 7.675 -2.652
548 HE3 LYS 65 3HE LYS 65 8.648 7.251 -1.725
549 HZ1 LYS 65 3HZ LYS 65 10.561 7.715 -0.306
550 HZ2 LYS 65 1HZ LYS 65 11.421 6.452 -1.027
551 HZ3 LYS 65 2HZ LYS 65 10.025 6.118 -0.125
552 H THR 66 H THR 66 6.078 6.205 -6.639
553 HA THR 66 HA THR 66 8.172 7.732 -8.052
554 HB THR 66 HB THR 66 6.936 6.840 -9.878
555 HG1 THR 66 HG1 THR 66 5.674 9.348 -9.454
556 HG21 THR 66 3HG2 THR 66 4.343 7.601 -8.491
557 HG22 THR 66 1HG2 THR 66 4.964 5.961 -8.697
558 HG23 THR 66 2HG2 THR 66 4.484 6.905 -10.107
559 H GLY 67 H GLY 67 8.438 9.590 -7.075
560 HA2 GLY 67 2HA GLY 67 6.293 10.792 -5.429
561 HA3 GLY 67 3HA GLY 67 8.019 11.131 -5.308
562 H GLY 68 H GLY 68 5.171 11.529 -7.324
563 HA2 GLY 68 2HA GLY 68 6.095 12.824 -9.550
564 HA3 GLY 68 3HA GLY 68 4.507 13.078 -8.859
565 H SER 69 H SER 69 7.508 14.449 -9.534
566 HA SER 69 HA SER 69 7.252 16.777 -7.786
567 HB2 SER 69 2HB SER 69 9.340 16.089 -9.912
568 HB3 SER 69 3HB SER 69 9.456 17.397 -8.734
569 HG SER 69 HG SER 69 9.375 14.603 -8.171
570 H LEU 70 H LEU 70 5.149 16.335 -9.737
571 HA LEU 70 HA LEU 70 5.378 17.806 -12.096
572 HB2 LEU 70 2HB LEU 70 2.977 17.765 -12.283
573 HB3 LEU 70 3HB LEU 70 3.518 16.220 -11.671
574 HG LEU 70 HG LEU 70 2.247 18.378 -9.922
575 HD11 LEU 70 1HD1 LEU 70 0.197 17.027 -9.946
576 HD12 LEU 70 2HD1 LEU 70 0.932 15.926 -11.118
577 HD13 LEU 70 3HD1 LEU 70 0.614 17.607 -11.557
578 HD21 LEU 70 3HD2 LEU 70 1.939 16.591 -8.262
579 HD22 LEU 70 1HD2 LEU 70 3.646 16.825 -8.638
580 HD23 LEU 70 2HD2 LEU 70 2.777 15.451 -9.322
581 H GLU 71 H GLU 71 5.947 19.841 -12.257
582 HA GLU 71 HA GLU 71 6.208 22.036 -12.004
583 HB2 GLU 71 2HB GLU 71 3.353 21.654 -11.161
584 HB3 GLU 71 3HB GLU 71 4.064 23.239 -10.896
585 HG2 GLU 71 2HG GLU 71 2.778 22.879 -13.089
586 HG3 GLU 71 3HG GLU 71 4.361 23.643 -13.185
587 H HIS 72 H HIS 72 7.521 20.540 -10.193
588 HA HIS 72 HA HIS 72 7.580 21.922 -7.645
589 HB2 HIS 72 2HB HIS 72 8.377 19.566 -7.847
590 HB3 HIS 72 3HB HIS 72 9.647 20.081 -8.948
591 HD1 HIS 72 HD1 HIS 72 8.724 20.005 -5.307
592 HD2 HIS 72 HD2 HIS 72 11.891 21.292 -7.674
593 HE1 HIS 72 HE1 HIS 72 10.607 20.502 -3.725
594 HE2 HIS 72 HE2 HIS 72 12.487 21.320 -5.178
595 H HIS 73 H HIS 73 7.399 23.931 -8.884
596 HA HIS 73 HA HIS 73 9.671 25.535 -8.804
597 HB2 HIS 73 2HB HIS 73 9.841 26.181 -11.247
598 HB3 HIS 73 3HB HIS 73 10.436 24.565 -10.898
599 HD1 HIS 73 HD1 HIS 73 7.625 26.361 -12.656
600 HD2 HIS 73 HD2 HIS 73 9.082 22.508 -12.201
601 HE1 HIS 73 HE1 HIS 73 6.412 24.978 -14.359
602 HE2 HIS 73 HE2 HIS 73 7.241 22.631 -13.990
603 H HIS 74 H HIS 74 8.061 26.386 -7.458
604 HA HIS 74 HA HIS 74 5.482 27.210 -8.501
605 HB2 HIS 74 2HB HIS 74 4.982 27.870 -6.219
606 HB3 HIS 74 3HB HIS 74 5.803 26.321 -6.175
607 HD1 HIS 74 HD1 HIS 74 5.580 28.806 -3.972
608 HD2 HIS 74 HD2 HIS 74 8.933 27.416 -5.998
609 HE1 HIS 74 HE1 HIS 74 7.552 29.480 -2.571
610 HE2 HIS 74 HE2 HIS 74 9.561 28.710 -3.866
611 H HIS 75 H HIS 75 4.707 29.307 -8.780
612 HA HIS 75 HA HIS 75 6.218 31.622 -7.997
613 HB2 HIS 75 2HB HIS 75 6.258 32.666 -10.319
614 HB3 HIS 75 3HB HIS 75 7.401 31.356 -10.072
615 HD1 HIS 75 HD1 HIS 75 7.500 29.748 -11.922
616 HD2 HIS 75 HD2 HIS 75 3.807 31.638 -11.802
617 HE1 HIS 75 HE1 HIS 75 6.259 28.926 -13.932
618 HE2 HIS 75 HE2 HIS 75 4.145 30.281 -13.963
619 H HIS 76 H HIS 76 4.958 33.349 -7.679
620 HA HIS 76 HA HIS 76 2.054 33.096 -8.136
621 HB2 HIS 76 2HB HIS 76 3.666 34.820 -6.201
622 HB3 HIS 76 3HB HIS 76 1.917 34.934 -6.383
623 HD1 HIS 76 HD1 HIS 76 0.665 33.615 -4.709
624 HD2 HIS 76 HD2 HIS 76 4.415 31.980 -5.421
625 HE1 HIS 76 HE1 HIS 76 0.852 31.648 -3.164
626 HE2 HIS 76 HE2 HIS 76 3.097 30.632 -3.675
627 H HIS 77 H HIS 77 4.285 34.075 -10.026
628 HA HIS 77 HA HIS 77 4.429 35.389 -11.843
629 HB2 HIS 77 2HB HIS 77 1.537 36.071 -11.177
630 HB3 HIS 77 3HB HIS 77 2.348 36.614 -12.642
631 HD1 HIS 77 HD1 HIS 77 1.932 35.141 -14.601
632 HD2 HIS 77 HD2 HIS 77 1.643 33.023 -11.034
633 HE1 HIS 77 HE1 HIS 77 1.222 32.822 -15.240
634 HE2 HIS 77 HE2 HIS 77 0.906 31.612 -13.060
Start of MODEL 11
1 H1 MET 1 1H MET 1 -0.768 14.440 -4.304
2 H2 MET 1 2H MET 1 0.835 14.578 -4.829
3 H3 MET 1 3H MET 1 0.452 13.568 -3.525
4 HA MET 1 HA MET 1 -0.767 12.115 -4.879
5 HB2 MET 1 2HB MET 1 -0.841 12.440 -7.378
6 HB3 MET 1 3HB MET 1 -1.764 13.628 -6.476
7 HG2 MET 1 2HG MET 1 -0.012 15.301 -6.840
8 HG3 MET 1 3HG MET 1 0.980 14.099 -7.672
9 HE1 MET 1 3HE MET 1 -0.002 16.211 -10.761
10 HE2 MET 1 1HE MET 1 1.300 15.403 -9.893
11 HE3 MET 1 2HE MET 1 0.492 16.797 -9.173
12 H VAL 2 H VAL 2 0.800 10.828 -4.113
13 HA VAL 2 HA VAL 2 3.285 10.460 -5.698
14 HB VAL 2 HB VAL 2 2.830 9.771 -2.754
15 HG11 VAL 2 1HG1 VAL 2 5.241 9.168 -2.720
16 HG12 VAL 2 2HG1 VAL 2 5.324 9.437 -4.460
17 HG13 VAL 2 3HG1 VAL 2 4.322 8.134 -3.819
18 HG21 VAL 2 3HG2 VAL 2 4.579 11.929 -3.981
19 HG22 VAL 2 1HG2 VAL 2 4.489 11.536 -2.262
20 HG23 VAL 2 2HG2 VAL 2 3.078 12.197 -3.091
21 H ASP 3 H ASP 3 3.409 8.533 -6.709
22 HA ASP 3 HA ASP 3 1.082 6.762 -6.522
23 HB2 ASP 3 2HB ASP 3 1.915 7.681 -8.766
24 HB3 ASP 3 3HB ASP 3 3.329 6.648 -8.586
25 H LEU 4 H LEU 4 1.308 5.232 -5.024
26 HA LEU 4 HA LEU 4 3.809 3.667 -4.809
27 HB2 LEU 4 2HB LEU 4 1.427 3.739 -2.902
28 HB3 LEU 4 3HB LEU 4 2.954 2.914 -2.629
29 HG LEU 4 HG LEU 4 2.536 5.930 -2.726
30 HD11 LEU 4 1HD1 LEU 4 1.705 4.931 -0.660
31 HD12 LEU 4 2HD1 LEU 4 3.149 5.889 -0.351
32 HD13 LEU 4 3HD1 LEU 4 3.254 4.127 -0.397
33 HD21 LEU 4 3HD2 LEU 4 4.711 5.393 -3.676
34 HD22 LEU 4 1HD2 LEU 4 5.105 4.385 -2.282
35 HD23 LEU 4 2HD2 LEU 4 4.906 6.129 -2.088
36 H LYS 5 H LYS 5 3.676 2.000 -6.196
37 HA LYS 5 HA LYS 5 1.129 0.518 -6.514
38 HB2 LYS 5 2HB LYS 5 2.195 1.869 -8.513
39 HB3 LYS 5 3HB LYS 5 3.367 0.565 -8.580
40 HG2 LYS 5 2HG LYS 5 0.368 0.193 -8.861
41 HG3 LYS 5 3HG LYS 5 1.480 0.353 -10.215
42 HD2 LYS 5 2HD LYS 5 1.519 -1.877 -8.150
43 HD3 LYS 5 3HD LYS 5 0.874 -2.002 -9.786
44 HE2 LYS 5 2HE LYS 5 3.084 -1.694 -10.743
45 HE3 LYS 5 3HE LYS 5 3.773 -1.356 -9.152
46 HZ1 LYS 5 3HZ LYS 5 3.261 -3.605 -8.474
47 HZ2 LYS 5 1HZ LYS 5 4.199 -3.639 -9.878
48 HZ3 LYS 5 2HZ LYS 5 2.544 -3.934 -9.966
49 H ILE 6 H ILE 6 1.231 -1.386 -5.474
50 HA ILE 6 HA ILE 6 3.853 -2.696 -4.956
51 HB ILE 6 HB ILE 6 1.335 -2.844 -3.206
52 HG12 ILE 6 2HG1 ILE 6 2.953 -1.724 -1.448
53 HG13 ILE 6 3HG1 ILE 6 3.898 -1.237 -2.844
54 HG21 ILE 6 1HG2 ILE 6 4.085 -4.065 -2.765
55 HG22 ILE 6 2HG2 ILE 6 2.611 -4.946 -3.172
56 HG23 ILE 6 3HG2 ILE 6 2.746 -4.126 -1.616
57 HD11 ILE 6 3HD1 ILE 6 2.459 0.552 -2.072
58 HD12 ILE 6 1HD1 ILE 6 1.035 -0.468 -2.289
59 HD13 ILE 6 2HD1 ILE 6 1.984 0.034 -3.689
60 H ASP 7 H ASP 7 4.005 -4.820 -5.673
61 HA ASP 7 HA ASP 7 1.799 -6.001 -7.169
62 HB2 ASP 7 2HB ASP 7 4.565 -7.096 -6.479
63 HB3 ASP 7 3HB ASP 7 3.434 -7.862 -7.589
64 H VAL 8 H VAL 8 0.334 -7.470 -6.385
65 HA VAL 8 HA VAL 8 0.910 -8.929 -3.881
66 HB VAL 8 HB VAL 8 -1.462 -8.662 -3.100
67 HG11 VAL 8 1HG1 VAL 8 0.313 -7.328 -2.081
68 HG12 VAL 8 2HG1 VAL 8 -1.185 -6.401 -2.147
69 HG13 VAL 8 3HG1 VAL 8 0.110 -6.068 -3.302
70 HG21 VAL 8 3HG2 VAL 8 -2.538 -8.029 -5.219
71 HG22 VAL 8 1HG2 VAL 8 -1.675 -6.492 -5.217
72 HG23 VAL 8 2HG2 VAL 8 -2.873 -6.835 -3.965
73 H SER 9 H SER 9 0.170 -10.960 -3.768
74 HA SER 9 HA SER 9 -0.130 -12.352 -6.244
75 HB2 SER 9 2HB SER 9 1.202 -13.255 -4.357
76 HB3 SER 9 3HB SER 9 -0.261 -13.408 -3.381
77 HG SER 9 HG SER 9 -0.840 -15.128 -4.492
78 H ASP 10 H ASP 10 -2.243 -12.362 -3.343
79 HA ASP 10 HA ASP 10 -4.462 -13.390 -5.013
80 HB2 ASP 10 2HB ASP 10 -3.851 -13.694 -2.046
81 HB3 ASP 10 3HB ASP 10 -5.371 -14.203 -2.772
82 H ASP 11 H ASP 11 -6.624 -12.946 -3.681
83 HA ASP 11 HA ASP 11 -7.065 -10.064 -3.981
84 HB2 ASP 11 2HB ASP 11 -8.539 -11.808 -5.091
85 HB3 ASP 11 3HB ASP 11 -9.093 -12.303 -3.493
86 H GLU 12 H GLU 12 -6.853 -12.526 -1.540
87 HA GLU 12 HA GLU 12 -7.885 -11.022 0.693
88 HB2 GLU 12 2HB GLU 12 -7.932 -13.496 0.689
89 HB3 GLU 12 3HB GLU 12 -6.182 -13.548 0.501
90 HG2 GLU 12 2HG GLU 12 -5.993 -12.376 2.734
91 HG3 GLU 12 3HG GLU 12 -7.732 -12.592 2.920
92 H GLU 13 H GLU 13 -4.684 -12.081 -0.497
93 HA GLU 13 HA GLU 13 -2.927 -10.662 0.982
94 HB2 GLU 13 2HB GLU 13 -2.294 -12.212 -0.797
95 HB3 GLU 13 3HB GLU 13 -2.882 -11.099 -2.025
96 HG2 GLU 13 2HG GLU 13 -0.453 -11.055 -1.939
97 HG3 GLU 13 3HG GLU 13 -1.099 -9.500 -1.412
98 H ALA 14 H ALA 14 -4.854 -9.331 -1.694
99 HA ALA 14 HA ALA 14 -3.824 -6.726 -1.718
100 HB1 ALA 14 3HB ALA 14 -5.328 -7.581 -3.463
101 HB2 ALA 14 1HB ALA 14 -5.955 -6.078 -2.792
102 HB3 ALA 14 2HB ALA 14 -6.669 -7.625 -2.316
103 H GLU 15 H GLU 15 -6.404 -8.169 0.269
104 HA GLU 15 HA GLU 15 -7.342 -5.849 1.588
105 HB2 GLU 15 2HB GLU 15 -7.389 -8.767 2.473
106 HB3 GLU 15 3HB GLU 15 -8.282 -7.482 3.277
107 HG2 GLU 15 2HG GLU 15 -9.693 -7.160 1.334
108 HG3 GLU 15 3HG GLU 15 -8.715 -8.276 0.382
109 H LYS 16 H LYS 16 -4.688 -8.067 2.257
110 HA LYS 16 HA LYS 16 -4.163 -7.463 4.952
111 HB2 LYS 16 2HB LYS 16 -2.157 -8.270 2.809
112 HB3 LYS 16 3HB LYS 16 -1.910 -8.411 4.541
113 HG2 LYS 16 2HG LYS 16 -4.008 -9.935 2.978
114 HG3 LYS 16 3HG LYS 16 -2.414 -10.558 3.373
115 HD2 LYS 16 2HD LYS 16 -3.709 -11.524 5.047
116 HD3 LYS 16 3HD LYS 16 -3.134 -10.079 5.870
117 HE2 LYS 16 2HE LYS 16 -5.307 -8.971 5.375
118 HE3 LYS 16 3HE LYS 16 -5.862 -10.444 4.576
119 HZ1 LYS 16 3HZ LYS 16 -6.674 -10.314 6.830
120 HZ2 LYS 16 1HZ LYS 16 -5.103 -10.208 7.437
121 HZ3 LYS 16 2HZ LYS 16 -5.622 -11.626 6.672
122 H ILE 17 H ILE 17 -3.145 -5.913 1.975
123 HA ILE 17 HA ILE 17 -1.277 -4.064 3.170
124 HB ILE 17 HB ILE 17 -2.572 -3.863 0.414
125 HG12 ILE 17 2HG1 ILE 17 -1.684 -6.109 0.517
126 HG13 ILE 17 3HG1 ILE 17 -0.589 -5.153 -0.463
127 HG21 ILE 17 1HG2 ILE 17 0.097 -2.834 1.427
128 HG22 ILE 17 2HG2 ILE 17 -1.333 -1.862 1.071
129 HG23 ILE 17 3HG2 ILE 17 -0.489 -2.701 -0.233
130 HD11 ILE 17 3HD1 ILE 17 0.603 -6.689 0.959
131 HD12 ILE 17 1HD1 ILE 17 -0.136 -5.995 2.400
132 HD13 ILE 17 2HD1 ILE 17 0.979 -5.030 1.425
133 H ILE 18 H ILE 18 -4.531 -3.947 1.798
134 HA ILE 18 HA ILE 18 -5.082 -1.224 1.904
135 HB ILE 18 HB ILE 18 -7.031 -3.576 2.065
136 HG12 ILE 18 2HG1 ILE 18 -6.221 -1.859 -0.336
137 HG13 ILE 18 3HG1 ILE 18 -5.630 -3.482 -0.026
138 HG21 ILE 18 1HG2 ILE 18 -8.131 -1.543 2.912
139 HG22 ILE 18 2HG2 ILE 18 -8.797 -1.992 1.342
140 HG23 ILE 18 3HG2 ILE 18 -7.646 -0.660 1.463
141 HD11 ILE 18 3HD1 ILE 18 -7.345 -3.489 -1.729
142 HD12 ILE 18 1HD1 ILE 18 -8.489 -2.720 -0.626
143 HD13 ILE 18 2HD1 ILE 18 -7.905 -4.353 -0.300
144 H ARG 19 H ARG 19 -5.786 -3.757 4.349
145 HA ARG 19 HA ARG 19 -7.148 -2.239 6.250
146 HB2 ARG 19 2HB ARG 19 -5.359 -4.678 6.640
147 HB3 ARG 19 3HB ARG 19 -6.308 -3.978 7.943
148 HG2 ARG 19 2HG ARG 19 -7.439 -5.140 5.382
149 HG3 ARG 19 3HG ARG 19 -7.406 -5.950 6.946
150 HD2 ARG 19 2HD ARG 19 -8.882 -4.174 7.877
151 HD3 ARG 19 3HD ARG 19 -8.923 -3.395 6.294
152 HE ARG 19 HE ARG 19 -9.803 -5.892 5.742
153 HH11 ARG 19 1HH1 ARG 19 -10.861 -3.482 8.097
154 HH12 ARG 19 2HH1 ARG 19 -12.507 -4.039 8.094
155 HH21 ARG 19 1HH2 ARG 19 -11.930 -6.628 5.790
156 HH22 ARG 19 2HH2 ARG 19 -13.115 -5.829 6.783
157 H GLU 20 H GLU 20 -3.621 -2.832 6.011
158 HA GLU 20 HA GLU 20 -2.765 -1.504 8.326
159 HB2 GLU 20 2HB GLU 20 -1.349 -1.830 5.653
160 HB3 GLU 20 3HB GLU 20 -0.551 -1.289 7.126
161 HG2 GLU 20 2HG GLU 20 -1.882 -3.977 6.725
162 HG3 GLU 20 3HG GLU 20 -0.147 -3.669 6.658
163 H ILE 21 H ILE 21 -3.165 -0.311 5.027
164 HA ILE 21 HA ILE 21 -2.259 2.336 5.524
165 HB ILE 21 HB ILE 21 -4.016 1.322 3.246
166 HG12 ILE 21 2HG1 ILE 21 -1.912 0.051 3.327
167 HG13 ILE 21 3HG1 ILE 21 -1.879 1.136 1.947
168 HG21 ILE 21 1HG2 ILE 21 -3.162 3.275 1.984
169 HG22 ILE 21 2HG2 ILE 21 -2.337 3.844 3.434
170 HG23 ILE 21 3HG2 ILE 21 -4.099 3.762 3.402
171 HD11 ILE 21 3HD1 ILE 21 -0.386 2.658 3.187
172 HD12 ILE 21 1HD1 ILE 21 0.282 1.033 3.045
173 HD13 ILE 21 2HD1 ILE 21 -0.425 1.559 4.571
174 H ARG 22 H ARG 22 -5.537 0.934 5.290
175 HA ARG 22 HA ARG 22 -7.134 3.168 5.548
176 HB2 ARG 22 2HB ARG 22 -7.577 0.316 6.495
177 HB3 ARG 22 3HB ARG 22 -8.842 1.530 6.580
178 HG2 ARG 22 2HG ARG 22 -7.507 0.747 3.974
179 HG3 ARG 22 3HG ARG 22 -8.913 -0.092 4.622
180 HD2 ARG 22 2HD ARG 22 -9.698 1.475 3.005
181 HD3 ARG 22 3HD ARG 22 -10.149 2.095 4.594
182 HE ARG 22 HE ARG 22 -7.659 3.166 3.591
183 HH11 ARG 22 1HH1 ARG 22 -11.163 3.584 3.542
184 HH12 ARG 22 2HH1 ARG 22 -11.072 5.260 3.122
185 HH21 ARG 22 1HH2 ARG 22 -7.587 5.376 3.001
186 HH22 ARG 22 2HH2 ARG 22 -9.062 6.264 2.820
187 H GLU 23 H GLU 23 -5.674 1.235 8.189
188 HA GLU 23 HA GLU 23 -7.327 2.441 10.215
189 HB2 GLU 23 2HB GLU 23 -4.933 0.584 10.439
190 HB3 GLU 23 3HB GLU 23 -5.935 1.072 11.799
191 HG2 GLU 23 2HG GLU 23 -6.858 -0.513 9.391
192 HG3 GLU 23 3HG GLU 23 -6.545 -1.161 10.996
193 H GLN 24 H GLN 24 -3.934 2.859 9.175
194 HA GLN 24 HA GLN 24 -3.450 4.821 11.286
195 HB2 GLN 24 2HB GLN 24 -1.792 2.989 10.394
196 HB3 GLN 24 3HB GLN 24 -1.477 4.121 9.083
197 HG2 GLN 24 2HG GLN 24 -0.624 5.774 10.614
198 HG3 GLN 24 3HG GLN 24 -1.181 4.860 12.013
199 HE21 GLN 24 1HE2 GLN 24 1.264 5.127 9.580
200 HE22 GLN 24 2HE2 GLN 24 2.353 3.971 10.249
201 H TRP 25 H TRP 25 -3.967 4.744 7.806
202 HA TRP 25 HA TRP 25 -4.346 7.699 7.781
203 HB2 TRP 25 2HB TRP 25 -3.277 5.994 5.484
204 HB3 TRP 25 3HB TRP 25 -3.617 7.718 5.403
205 HD1 TRP 25 HD1 TRP 25 -1.853 9.367 6.695
206 HE1 TRP 25 HE1 TRP 25 0.620 9.018 7.295
207 HE3 TRP 25 HE3 TRP 25 -1.600 4.271 6.213
208 HZ2 TRP 25 HZ2 TRP 25 2.439 6.886 7.535
209 HZ3 TRP 25 HZ3 TRP 25 0.551 3.155 6.643
210 HH2 TRP 25 HH2 TRP 25 2.530 4.438 7.290
211 HA PRO 26 HA PRO 26 -8.399 5.684 6.546
212 HB2 PRO 26 2HB PRO 26 -10.014 7.570 7.742
213 HB3 PRO 26 3HB PRO 26 -9.314 6.194 8.618
214 HG2 PRO 26 2HG PRO 26 -8.337 9.033 8.506
215 HG3 PRO 26 3HG PRO 26 -8.507 7.959 9.914
216 HD2 PRO 26 2HD PRO 26 -6.112 8.367 8.713
217 HD3 PRO 26 3HD PRO 26 -6.540 6.799 9.438
218 H LYS 27 H LYS 27 -6.961 8.752 5.941
219 HA LYS 27 HA LYS 27 -8.904 9.545 3.888
220 HB2 LYS 27 2HB LYS 27 -7.600 11.621 3.762
221 HB3 LYS 27 3HB LYS 27 -8.043 11.257 5.425
222 HG2 LYS 27 2HG LYS 27 -5.785 10.402 5.875
223 HG3 LYS 27 3HG LYS 27 -5.315 10.711 4.201
224 HD2 LYS 27 2HD LYS 27 -5.573 13.118 4.523
225 HD3 LYS 27 3HD LYS 27 -6.218 12.871 6.151
226 HE2 LYS 27 2HE LYS 27 -4.040 11.872 6.825
227 HE3 LYS 27 3HE LYS 27 -3.405 12.210 5.215
228 HZ1 LYS 27 3HZ LYS 27 -3.747 14.559 5.609
229 HZ2 LYS 27 1HZ LYS 27 -2.763 13.897 6.810
230 HZ3 LYS 27 2HZ LYS 27 -4.384 14.238 7.142
231 H ALA 28 H ALA 28 -5.955 7.780 4.051
232 HA ALA 28 HA ALA 28 -4.696 8.542 1.638
233 HB1 ALA 28 3HB ALA 28 -3.521 7.277 3.373
234 HB2 ALA 28 1HB ALA 28 -3.437 6.428 1.830
235 HB3 ALA 28 2HB ALA 28 -4.552 5.876 3.085
236 H THR 29 H THR 29 -5.414 8.309 -0.360
237 HA THR 29 HA THR 29 -7.794 6.893 -1.025
238 HB THR 29 HB THR 29 -5.720 8.284 -2.765
239 HG1 THR 29 HG1 THR 29 -7.392 9.942 -2.741
240 HG21 THR 29 3HG2 THR 29 -8.528 7.407 -3.547
241 HG22 THR 29 1HG2 THR 29 -7.024 6.724 -4.170
242 HG23 THR 29 2HG2 THR 29 -7.449 8.398 -4.530
243 H VAL 30 H VAL 30 -7.664 4.707 -0.834
244 HA VAL 30 HA VAL 30 -5.476 3.193 -2.110
245 HB VAL 30 HB VAL 30 -7.763 2.061 -0.405
246 HG11 VAL 30 1HG1 VAL 30 -6.318 0.061 -0.204
247 HG12 VAL 30 2HG1 VAL 30 -5.105 0.822 -1.234
248 HG13 VAL 30 3HG1 VAL 30 -6.686 0.408 -1.896
249 HG21 VAL 30 3HG2 VAL 30 -6.432 3.623 0.967
250 HG22 VAL 30 1HG2 VAL 30 -4.952 2.775 0.516
251 HG23 VAL 30 2HG2 VAL 30 -6.179 1.956 1.486
252 H THR 31 H THR 31 -5.916 3.077 -4.278
253 HA THR 31 HA THR 31 -8.604 2.371 -5.230
254 HB THR 31 HB THR 31 -6.034 3.104 -6.714
255 HG1 THR 31 HG1 THR 31 -8.215 4.581 -5.750
256 HG21 THR 31 3HG2 THR 31 -7.453 3.358 -8.720
257 HG22 THR 31 1HG2 THR 31 -8.848 2.754 -7.824
258 HG23 THR 31 2HG2 THR 31 -7.473 1.693 -8.143
259 H ARG 32 H ARG 32 -9.051 0.303 -5.907
260 HA ARG 32 HA ARG 32 -7.048 -1.779 -5.471
261 HB2 ARG 32 2HB ARG 32 -9.386 -1.989 -4.549
262 HB3 ARG 32 3HB ARG 32 -9.996 -2.040 -6.198
263 HG2 ARG 32 2HG ARG 32 -8.537 -4.104 -6.551
264 HG3 ARG 32 3HG ARG 32 -8.243 -4.087 -4.810
265 HD2 ARG 32 2HD ARG 32 -10.017 -5.648 -5.257
266 HD3 ARG 32 3HD ARG 32 -10.732 -4.248 -4.456
267 HE ARG 32 HE ARG 32 -11.230 -3.551 -6.914
268 HH11 ARG 32 1HH1 ARG 32 -11.449 -6.845 -5.674
269 HH12 ARG 32 2HH1 ARG 32 -12.663 -7.317 -6.814
270 HH21 ARG 32 1HH2 ARG 32 -12.794 -4.187 -8.398
271 HH22 ARG 32 2HH2 ARG 32 -13.425 -5.801 -8.366
272 H THR 33 H THR 33 -6.144 -2.951 -7.099
273 HA THR 33 HA THR 33 -7.174 -2.805 -9.858
274 HB THR 33 HB THR 33 -4.767 -2.692 -10.693
275 HG1 THR 33 HG1 THR 33 -4.180 -3.001 -8.154
276 HG21 THR 33 3HG2 THR 33 -6.115 -0.614 -10.733
277 HG22 THR 33 1HG2 THR 33 -4.423 -0.257 -10.374
278 HG23 THR 33 2HG2 THR 33 -5.621 -0.253 -9.078
279 H ASN 34 H ASN 34 -7.249 -4.954 -10.737
280 HA ASN 34 HA ASN 34 -6.895 -7.139 -9.027
281 HB2 ASN 34 2HB ASN 34 -7.153 -6.974 -12.062
282 HB3 ASN 34 3HB ASN 34 -7.122 -8.506 -11.192
283 HD21 ASN 34 1HD2 ASN 34 -9.175 -8.953 -12.082
284 HD22 ASN 34 2HD2 ASN 34 -10.605 -8.240 -11.430
285 H GLY 35 H GLY 35 -4.919 -7.616 -8.203
286 HA2 GLY 35 2HA GLY 35 -3.000 -9.061 -8.518
287 HA3 GLY 35 3HA GLY 35 -2.694 -8.280 -10.059
288 H ASP 36 H ASP 36 -3.481 -5.706 -8.260
289 HA ASP 36 HA ASP 36 -0.886 -5.388 -6.885
290 HB2 ASP 36 2HB ASP 36 -1.876 -3.504 -9.071
291 HB3 ASP 36 3HB ASP 36 -0.510 -3.176 -8.015
292 H ILE 37 H ILE 37 -0.787 -3.296 -5.693
293 HA ILE 37 HA ILE 37 -3.402 -2.228 -4.831
294 HB ILE 37 HB ILE 37 -0.728 -2.360 -3.345
295 HG12 ILE 37 2HG1 ILE 37 -2.040 -4.473 -3.319
296 HG13 ILE 37 3HG1 ILE 37 -1.944 -3.763 -1.715
297 HG21 ILE 37 1HG2 ILE 37 -1.849 -1.240 -1.430
298 HG22 ILE 37 2HG2 ILE 37 -3.284 -0.976 -2.422
299 HG23 ILE 37 3HG2 ILE 37 -1.764 -0.184 -2.843
300 HD11 ILE 37 3HD1 ILE 37 -4.150 -4.643 -2.127
301 HD12 ILE 37 1HD1 ILE 37 -4.321 -3.651 -3.572
302 HD13 ILE 37 2HD1 ILE 37 -4.237 -2.891 -1.979
303 H LYS 38 H LYS 38 -3.793 -0.337 -5.805
304 HA LYS 38 HA LYS 38 -1.609 1.527 -6.440
305 HB2 LYS 38 2HB LYS 38 -3.331 1.114 -8.181
306 HB3 LYS 38 3HB LYS 38 -4.598 1.633 -7.076
307 HG2 LYS 38 2HG LYS 38 -4.112 3.416 -8.659
308 HG3 LYS 38 3HG LYS 38 -3.616 3.914 -7.040
309 HD2 LYS 38 2HD LYS 38 -1.951 4.584 -8.718
310 HD3 LYS 38 3HD LYS 38 -1.259 3.404 -7.605
311 HE2 LYS 38 2HE LYS 38 -1.567 1.632 -9.286
312 HE3 LYS 38 3HE LYS 38 -2.322 2.788 -10.387
313 HZ1 LYS 38 3HZ LYS 38 0.029 2.380 -10.898
314 HZ2 LYS 38 1HZ LYS 38 0.473 2.993 -9.382
315 HZ3 LYS 38 2HZ LYS 38 -0.266 4.000 -10.516
316 H LEU 39 H LEU 39 -1.123 3.069 -4.989
317 HA LEU 39 HA LEU 39 -3.167 4.020 -3.072
318 HB2 LEU 39 2HB LEU 39 -1.709 2.434 -1.888
319 HB3 LEU 39 3HB LEU 39 -0.275 3.287 -2.437
320 HG LEU 39 HG LEU 39 -0.859 5.244 -1.051
321 HD11 LEU 39 1HD1 LEU 39 -2.748 5.210 0.523
322 HD12 LEU 39 2HD1 LEU 39 -3.310 3.687 -0.170
323 HD13 LEU 39 3HD1 LEU 39 -3.299 5.154 -1.152
324 HD21 LEU 39 3HD2 LEU 39 0.493 3.481 -0.039
325 HD22 LEU 39 1HD2 LEU 39 -0.964 2.658 0.522
326 HD23 LEU 39 2HD2 LEU 39 -0.539 4.247 1.167
327 H ASP 40 H ASP 40 -3.270 6.165 -2.943
328 HA ASP 40 HA ASP 40 -1.215 7.856 -4.221
329 HB2 ASP 40 2HB ASP 40 -3.483 8.069 -5.188
330 HB3 ASP 40 3HB ASP 40 -4.143 8.429 -3.598
331 H ALA 41 H ALA 41 0.201 8.330 -2.654
332 HA ALA 41 HA ALA 41 -0.570 9.126 0.044
333 HB1 ALA 41 3HB ALA 41 1.485 7.834 -0.267
334 HB2 ALA 41 1HB ALA 41 1.857 9.423 0.404
335 HB3 ALA 41 2HB ALA 41 2.148 9.091 -1.305
336 H GLN 42 H GLN 42 -0.343 11.207 0.886
337 HA GLN 42 HA GLN 42 -0.878 13.339 -0.964
338 HB2 GLN 42 2HB GLN 42 -1.989 13.150 1.263
339 HB3 GLN 42 3HB GLN 42 -0.447 13.465 2.044
340 HG2 GLN 42 2HG GLN 42 -1.829 15.472 2.052
341 HG3 GLN 42 3HG GLN 42 -0.404 15.727 1.049
342 HE21 GLN 42 1HE2 GLN 42 -3.855 15.128 0.992
343 HE22 GLN 42 2HE2 GLN 42 -4.135 15.762 -0.590
344 H THR 43 H THR 43 1.772 12.695 1.365
345 HA THR 43 HA THR 43 3.592 14.383 -0.269
346 HB THR 43 HB THR 43 3.069 15.655 1.744
347 HG1 THR 43 HG1 THR 43 5.088 16.219 1.891
348 HG21 THR 43 3HG2 THR 43 4.064 13.298 3.372
349 HG22 THR 43 1HG2 THR 43 2.387 13.843 3.268
350 HG23 THR 43 2HG2 THR 43 3.609 14.879 4.009
351 H GLU 44 H GLU 44 5.919 13.935 0.310
352 HA GLU 44 HA GLU 44 6.466 11.306 -0.617
353 HB2 GLU 44 2HB GLU 44 8.316 13.568 0.253
354 HB3 GLU 44 3HB GLU 44 8.892 12.057 -0.444
355 HG2 GLU 44 2HG GLU 44 8.863 13.820 -2.124
356 HG3 GLU 44 3HG GLU 44 7.714 12.551 -2.538
357 H LYS 45 H LYS 45 7.191 13.024 2.424
358 HA LYS 45 HA LYS 45 8.636 10.885 3.634
359 HB2 LYS 45 2HB LYS 45 7.329 13.255 5.019
360 HB3 LYS 45 3HB LYS 45 8.580 12.215 5.692
361 HG2 LYS 45 2HG LYS 45 10.153 12.994 3.932
362 HG3 LYS 45 3HG LYS 45 8.900 14.078 3.318
363 HD2 LYS 45 2HD LYS 45 8.852 15.201 5.578
364 HD3 LYS 45 3HD LYS 45 10.207 14.182 6.068
365 HE2 LYS 45 2HE LYS 45 11.584 15.169 4.260
366 HE3 LYS 45 3HE LYS 45 10.225 16.200 3.801
367 HZ1 LYS 45 3HZ LYS 45 10.306 17.195 6.016
368 HZ2 LYS 45 1HZ LYS 45 11.767 17.395 5.190
369 HZ3 LYS 45 2HZ LYS 45 11.645 16.236 6.409
370 H GLU 46 H GLU 46 5.245 11.608 3.409
371 HA GLU 46 HA GLU 46 4.368 9.807 5.497
372 HB2 GLU 46 2HB GLU 46 3.006 11.749 4.865
373 HB3 GLU 46 3HB GLU 46 2.891 11.175 3.207
374 HG2 GLU 46 2HG GLU 46 1.567 9.234 3.982
375 HG3 GLU 46 3HG GLU 46 1.703 9.811 5.643
376 H ALA 47 H ALA 47 4.951 9.756 2.011
377 HA ALA 47 HA ALA 47 3.812 7.203 1.439
378 HB1 ALA 47 3HB ALA 47 5.967 8.712 -0.066
379 HB2 ALA 47 1HB ALA 47 4.229 8.901 -0.280
380 HB3 ALA 47 2HB ALA 47 5.001 7.369 -0.690
381 H GLU 48 H GLU 48 7.000 8.220 2.554
382 HA GLU 48 HA GLU 48 8.420 5.801 2.208
383 HB2 GLU 48 2HB GLU 48 8.850 7.706 4.543
384 HB3 GLU 48 3HB GLU 48 10.035 6.651 3.789
385 HG2 GLU 48 2HG GLU 48 8.837 9.160 2.600
386 HG3 GLU 48 3HG GLU 48 10.458 8.988 3.257
387 H LYS 49 H LYS 49 6.129 6.870 4.635
388 HA LYS 49 HA LYS 49 6.605 4.655 6.479
389 HB2 LYS 49 2HB LYS 49 4.502 6.867 6.545
390 HB3 LYS 49 3HB LYS 49 4.841 5.728 7.847
391 HG2 LYS 49 2HG LYS 49 7.146 6.655 8.032
392 HG3 LYS 49 3HG LYS 49 6.745 7.835 6.779
393 HD2 LYS 49 2HD LYS 49 4.921 8.719 8.253
394 HD3 LYS 49 3HD LYS 49 5.428 7.588 9.511
395 HE2 LYS 49 2HE LYS 49 6.351 9.781 9.985
396 HE3 LYS 49 3HE LYS 49 7.669 8.696 9.541
397 HZ1 LYS 49 3HZ LYS 49 7.679 9.647 7.332
398 HZ2 LYS 49 1HZ LYS 49 7.862 10.870 8.488
399 HZ3 LYS 49 2HZ LYS 49 6.374 10.651 7.717
400 H MET 50 H MET 50 3.944 5.842 4.501
401 HA MET 50 HA MET 50 2.101 3.841 4.544
402 HB2 MET 50 2HB MET 50 2.957 5.450 2.117
403 HB3 MET 50 3HB MET 50 1.637 4.289 2.038
404 HG2 MET 50 2HG MET 50 0.481 5.550 3.851
405 HG3 MET 50 3HG MET 50 1.759 6.772 3.758
406 HE1 MET 50 3HE MET 50 -1.385 7.385 3.357
407 HE2 MET 50 1HE MET 50 -1.318 8.495 1.989
408 HE3 MET 50 2HE MET 50 -0.139 8.630 3.291
409 H GLU 51 H GLU 51 4.945 3.747 2.332
410 HA GLU 51 HA GLU 51 4.473 1.090 1.465
411 HB2 GLU 51 2HB GLU 51 6.720 1.072 0.579
412 HB3 GLU 51 3HB GLU 51 5.972 2.626 0.237
413 HG2 GLU 51 2HG GLU 51 7.364 3.775 1.695
414 HG3 GLU 51 3HG GLU 51 7.742 2.357 2.660
415 H LYS 52 H LYS 52 6.071 2.365 4.338
416 HA LYS 52 HA LYS 52 7.331 -0.063 5.177
417 HB2 LYS 52 2HB LYS 52 8.068 2.142 6.011
418 HB3 LYS 52 3HB LYS 52 6.507 2.400 6.782
419 HG2 LYS 52 2HG LYS 52 8.143 1.773 8.458
420 HG3 LYS 52 3HG LYS 52 6.956 0.477 8.289
421 HD2 LYS 52 2HD LYS 52 8.606 -0.723 6.782
422 HD3 LYS 52 3HD LYS 52 9.796 0.520 7.185
423 HE2 LYS 52 2HE LYS 52 8.456 -1.403 9.117
424 HE3 LYS 52 3HE LYS 52 10.134 -1.453 8.588
425 HZ1 LYS 52 3HZ LYS 52 8.869 0.649 10.256
426 HZ2 LYS 52 1HZ LYS 52 10.447 0.725 9.657
427 HZ3 LYS 52 2HZ LYS 52 10.015 -0.489 10.749
428 H ALA 53 H ALA 53 4.125 1.366 5.756
429 HA ALA 53 HA ALA 53 3.128 -0.560 7.552
430 HB1 ALA 53 3HB ALA 53 2.001 1.585 7.170
431 HB2 ALA 53 1HB ALA 53 0.894 0.238 6.914
432 HB3 ALA 53 2HB ALA 53 1.584 1.089 5.528
433 H VAL 54 H VAL 54 3.404 -0.507 4.074
434 HA VAL 54 HA VAL 54 2.018 -2.958 3.513
435 HB VAL 54 HB VAL 54 4.269 -1.640 1.920
436 HG11 VAL 54 1HG1 VAL 54 3.365 -2.845 -0.032
437 HG12 VAL 54 2HG1 VAL 54 2.188 -3.652 1.007
438 HG13 VAL 54 3HG1 VAL 54 3.912 -3.958 1.224
439 HG21 VAL 54 3HG2 VAL 54 2.499 -0.581 0.546
440 HG22 VAL 54 1HG2 VAL 54 2.441 -0.044 2.227
441 HG23 VAL 54 2HG2 VAL 54 1.272 -1.225 1.639
442 H LYS 55 H LYS 55 5.382 -2.049 4.280
443 HA LYS 55 HA LYS 55 6.598 -4.581 3.864
444 HB2 LYS 55 2HB LYS 55 7.544 -2.121 5.384
445 HB3 LYS 55 3HB LYS 55 8.541 -3.563 5.202
446 HG2 LYS 55 2HG LYS 55 8.584 -3.312 2.791
447 HG3 LYS 55 3HG LYS 55 7.432 -1.977 2.866
448 HD2 LYS 55 2HD LYS 55 9.098 -0.593 4.065
449 HD3 LYS 55 3HD LYS 55 10.247 -1.935 4.034
450 HE2 LYS 55 2HE LYS 55 10.241 -1.855 1.548
451 HE3 LYS 55 3HE LYS 55 9.134 -0.482 1.605
452 HZ1 LYS 55 3HZ LYS 55 11.808 -0.455 2.884
453 HZ2 LYS 55 1HZ LYS 55 10.789 0.860 2.588
454 HZ3 LYS 55 2HZ LYS 55 11.540 0.062 1.299
455 H LYS 56 H LYS 56 4.833 -3.309 6.579
456 HA LYS 56 HA LYS 56 5.679 -5.070 8.623
457 HB2 LYS 56 2HB LYS 56 2.880 -3.944 8.120
458 HB3 LYS 56 3HB LYS 56 3.408 -4.689 9.626
459 HG2 LYS 56 2HG LYS 56 5.017 -2.869 10.000
460 HG3 LYS 56 3HG LYS 56 4.579 -2.144 8.449
461 HD2 LYS 56 2HD LYS 56 2.227 -1.873 9.297
462 HD3 LYS 56 3HD LYS 56 2.758 -2.461 10.873
463 HE2 LYS 56 2HE LYS 56 3.823 0.026 9.491
464 HE3 LYS 56 3HE LYS 56 2.593 0.021 10.753
465 HZ1 LYS 56 3HZ LYS 56 4.224 -0.959 12.256
466 HZ2 LYS 56 1HZ LYS 56 4.747 0.533 11.663
467 HZ3 LYS 56 2HZ LYS 56 5.396 -0.895 11.043
468 H VAL 57 H VAL 57 3.336 -5.424 6.018
469 HA VAL 57 HA VAL 57 2.518 -8.132 6.658
470 HB VAL 57 HB VAL 57 1.974 -6.324 4.247
471 HG11 VAL 57 1HG1 VAL 57 0.668 -8.992 4.893
472 HG12 VAL 57 2HG1 VAL 57 1.762 -8.673 3.544
473 HG13 VAL 57 3HG1 VAL 57 0.183 -7.890 3.601
474 HG21 VAL 57 3HG2 VAL 57 -0.266 -6.031 5.226
475 HG22 VAL 57 1HG2 VAL 57 0.992 -5.494 6.346
476 HG23 VAL 57 2HG2 VAL 57 0.188 -7.047 6.595
477 H LYS 58 H LYS 58 5.063 -6.651 4.774
478 HA LYS 58 HA LYS 58 5.960 -9.107 3.619
479 HB2 LYS 58 2HB LYS 58 5.753 -8.213 1.173
480 HB3 LYS 58 3HB LYS 58 4.358 -8.954 1.936
481 HG2 LYS 58 2HG LYS 58 3.385 -6.748 2.398
482 HG3 LYS 58 3HG LYS 58 4.804 -5.959 1.712
483 HD2 LYS 58 2HD LYS 58 2.713 -6.086 0.224
484 HD3 LYS 58 3HD LYS 58 4.230 -6.604 -0.505
485 HE2 LYS 58 2HE LYS 58 2.220 -8.071 -0.991
486 HE3 LYS 58 3HE LYS 58 3.622 -8.915 -0.318
487 HZ1 LYS 58 3HZ LYS 58 2.523 -8.708 1.893
488 HZ2 LYS 58 1HZ LYS 58 1.684 -9.665 0.794
489 HZ3 LYS 58 2HZ LYS 58 1.152 -8.100 1.115
490 HA PRO 59 HA PRO 59 9.400 -6.105 4.239
491 HB2 PRO 59 2HB PRO 59 11.258 -7.852 5.172
492 HB3 PRO 59 3HB PRO 59 9.887 -7.336 6.174
493 HG2 PRO 59 2HG PRO 59 10.199 -9.874 4.601
494 HG3 PRO 59 3HG PRO 59 9.622 -9.654 6.270
495 HD2 PRO 59 2HD PRO 59 7.921 -9.958 4.134
496 HD3 PRO 59 3HD PRO 59 7.489 -9.043 5.596
497 H ASN 60 H ASN 60 9.201 -8.801 2.058
498 HA ASN 60 HA ASN 60 11.775 -8.123 0.724
499 HB2 ASN 60 2HB ASN 60 10.129 -10.690 0.653
500 HB3 ASN 60 3HB ASN 60 11.546 -10.391 -0.360
501 HD21 ASN 60 1HD2 ASN 60 13.024 -11.755 0.450
502 HD22 ASN 60 2HD2 ASN 60 13.538 -11.806 2.092
503 H ALA 61 H ALA 61 8.675 -7.235 0.511
504 HA ALA 61 HA ALA 61 7.764 -7.953 -2.068
505 HB1 ALA 61 3HB ALA 61 6.029 -6.267 -1.678
506 HB2 ALA 61 1HB ALA 61 6.937 -5.641 -0.293
507 HB3 ALA 61 2HB ALA 61 6.288 -7.281 -0.262
508 H THR 62 H THR 62 7.728 -6.891 -4.010
509 HA THR 62 HA THR 62 9.440 -4.632 -4.549
510 HB THR 62 HB THR 62 7.386 -5.954 -6.387
511 HG1 THR 62 HG1 THR 62 9.188 -7.307 -5.483
512 HG21 THR 62 3HG2 THR 62 8.753 -5.021 -8.219
513 HG22 THR 62 1HG2 THR 62 9.835 -4.263 -7.052
514 HG23 THR 62 2HG2 THR 62 8.158 -3.721 -7.185
515 H ILE 63 H ILE 63 8.746 -2.828 -3.606
516 HA ILE 63 HA ILE 63 6.011 -1.774 -4.062
517 HB ILE 63 HB ILE 63 8.122 -0.845 -2.052
518 HG12 ILE 63 2HG1 ILE 63 5.460 -2.218 -1.487
519 HG13 ILE 63 3HG1 ILE 63 6.997 -3.074 -1.523
520 HG21 ILE 63 1HG2 ILE 63 6.742 1.041 -2.844
521 HG22 ILE 63 2HG2 ILE 63 6.341 0.655 -1.173
522 HG23 ILE 63 3HG2 ILE 63 5.272 0.140 -2.473
523 HD11 ILE 63 3HD1 ILE 63 7.774 -1.680 0.337
524 HD12 ILE 63 1HD1 ILE 63 6.328 -2.611 0.727
525 HD13 ILE 63 2HD1 ILE 63 6.196 -0.888 0.381
526 H ARG 64 H ARG 64 5.873 -0.297 -5.618
527 HA ARG 64 HA ARG 64 8.327 0.926 -6.726
528 HB2 ARG 64 2HB ARG 64 5.580 0.538 -8.008
529 HB3 ARG 64 3HB ARG 64 6.975 1.289 -8.784
530 HG2 ARG 64 2HG ARG 64 8.235 -0.859 -8.528
531 HG3 ARG 64 3HG ARG 64 6.776 -1.598 -7.862
532 HD2 ARG 64 2HD ARG 64 7.024 -2.174 -10.216
533 HD3 ARG 64 3HD ARG 64 5.598 -1.162 -9.987
534 HE ARG 64 HE ARG 64 7.524 0.640 -10.641
535 HH11 ARG 64 1HH1 ARG 64 6.388 -2.304 -12.225
536 HH12 ARG 64 2HH1 ARG 64 6.779 -1.739 -13.817
537 HH21 ARG 64 1HH2 ARG 64 8.027 1.366 -12.746
538 HH22 ARG 64 2HH2 ARG 64 7.709 0.344 -14.112
539 H LYS 65 H LYS 65 8.665 2.725 -5.686
540 HA LYS 65 HA LYS 65 6.457 4.542 -4.915
541 HB2 LYS 65 2HB LYS 65 7.726 3.683 -3.003
542 HB3 LYS 65 3HB LYS 65 9.244 4.200 -3.729
543 HG2 LYS 65 2HG LYS 65 8.691 6.544 -3.405
544 HG3 LYS 65 3HG LYS 65 7.040 6.136 -2.930
545 HD2 LYS 65 2HD LYS 65 8.319 6.692 -0.938
546 HD3 LYS 65 3HD LYS 65 7.946 4.966 -0.908
547 HE2 LYS 65 2HE LYS 65 10.239 5.259 -0.211
548 HE3 LYS 65 3HE LYS 65 10.267 4.532 -1.819
549 HZ1 LYS 65 3HZ LYS 65 11.872 6.272 -1.722
550 HZ2 LYS 65 1HZ LYS 65 10.737 7.376 -1.117
551 HZ3 LYS 65 2HZ LYS 65 10.607 6.813 -2.705
552 H THR 66 H THR 66 6.265 6.266 -6.158
553 HA THR 66 HA THR 66 8.517 7.866 -7.004
554 HB THR 66 HB THR 66 8.520 6.220 -8.828
555 HG1 THR 66 HG1 THR 66 9.058 8.179 -9.595
556 HG21 THR 66 3HG2 THR 66 6.176 5.433 -8.713
557 HG22 THR 66 1HG2 THR 66 6.597 5.920 -10.358
558 HG23 THR 66 2HG2 THR 66 5.616 6.981 -9.348
559 H GLY 67 H GLY 67 7.896 9.947 -6.849
560 HA2 GLY 67 2HA GLY 67 5.119 10.582 -6.211
561 HA3 GLY 67 3HA GLY 67 6.503 11.648 -6.074
562 H GLY 68 H GLY 68 7.382 12.581 -8.024
563 HA2 GLY 68 2HA GLY 68 6.577 12.507 -10.604
564 HA3 GLY 68 3HA GLY 68 5.322 13.499 -9.856
565 H SER 69 H SER 69 8.104 13.775 -11.544
566 HA SER 69 HA SER 69 9.756 15.568 -10.137
567 HB2 SER 69 2HB SER 69 10.460 14.307 -12.162
568 HB3 SER 69 3HB SER 69 9.381 15.295 -13.150
569 HG SER 69 HG SER 69 11.890 15.811 -12.506
570 H LEU 70 H LEU 70 10.128 17.875 -10.567
571 HA LEU 70 HA LEU 70 7.658 19.358 -10.350
572 HB2 LEU 70 2HB LEU 70 10.556 20.298 -10.264
573 HB3 LEU 70 3HB LEU 70 9.178 21.365 -10.071
574 HG LEU 70 HG LEU 70 8.524 20.042 -8.003
575 HD11 LEU 70 1HD1 LEU 70 11.259 18.769 -8.287
576 HD12 LEU 70 2HD1 LEU 70 9.707 17.946 -8.444
577 HD13 LEU 70 3HD1 LEU 70 10.185 18.628 -6.892
578 HD21 LEU 70 3HD2 LEU 70 11.241 21.388 -7.921
579 HD22 LEU 70 1HD2 LEU 70 10.172 21.120 -6.541
580 HD23 LEU 70 2HD2 LEU 70 9.677 22.202 -7.840
581 H GLU 71 H GLU 71 6.927 18.789 -12.512
582 HA GLU 71 HA GLU 71 8.098 20.039 -14.842
583 HB2 GLU 71 2HB GLU 71 6.817 17.883 -14.945
584 HB3 GLU 71 3HB GLU 71 5.354 18.742 -14.482
585 HG2 GLU 71 2HG GLU 71 5.372 18.300 -16.885
586 HG3 GLU 71 3HG GLU 71 5.446 20.033 -16.592
587 H HIS 72 H HIS 72 6.808 21.634 -16.142
588 HA HIS 72 HA HIS 72 6.116 23.749 -16.417
589 HB2 HIS 72 2HB HIS 72 4.722 23.692 -13.696
590 HB3 HIS 72 3HB HIS 72 4.414 24.817 -15.019
591 HD1 HIS 72 HD1 HIS 72 3.107 21.826 -13.532
592 HD2 HIS 72 HD2 HIS 72 3.338 23.281 -17.418
593 HE1 HIS 72 HE1 HIS 72 1.442 20.494 -14.848
594 HE2 HIS 72 HE2 HIS 72 1.793 21.215 -17.228
595 H HIS 73 H HIS 73 8.376 24.023 -16.287
596 HA HIS 73 HA HIS 73 9.397 25.608 -14.055
597 HB2 HIS 73 2HB HIS 73 11.418 24.145 -13.803
598 HB3 HIS 73 3HB HIS 73 9.933 23.311 -13.345
599 HD1 HIS 73 HD1 HIS 73 12.934 22.827 -15.336
600 HD2 HIS 73 HD2 HIS 73 8.997 21.526 -15.576
601 HE1 HIS 73 HE1 HIS 73 12.966 20.799 -16.817
602 HE2 HIS 73 HE2 HIS 73 10.612 19.957 -16.817
603 H HIS 74 H HIS 74 10.869 27.070 -14.730
604 HA HIS 74 HA HIS 74 12.134 26.792 -17.398
605 HB2 HIS 74 2HB HIS 74 10.342 28.526 -17.461
606 HB3 HIS 74 3HB HIS 74 11.092 29.365 -16.108
607 HD1 HIS 74 HD1 HIS 74 12.623 31.219 -16.754
608 HD2 HIS 74 HD2 HIS 74 12.187 28.477 -19.845
609 HE1 HIS 74 HE1 HIS 74 13.831 32.204 -18.716
610 HE2 HIS 74 HE2 HIS 74 13.416 30.608 -20.600
611 H HIS 75 H HIS 75 13.972 25.943 -16.552
612 HA HIS 75 HA HIS 75 15.256 26.842 -14.155
613 HB2 HIS 75 2HB HIS 75 15.395 24.496 -14.964
614 HB3 HIS 75 3HB HIS 75 16.302 25.014 -16.378
615 HD1 HIS 75 HD1 HIS 75 18.805 25.480 -16.058
616 HD2 HIS 75 HD2 HIS 75 16.864 24.417 -12.548
617 HE1 HIS 75 HE1 HIS 75 20.626 25.038 -14.393
618 HE2 HIS 75 HE2 HIS 75 19.419 24.647 -12.226
619 H HIS 76 H HIS 76 16.517 28.565 -13.954
620 HA HIS 76 HA HIS 76 18.366 29.430 -16.069
621 HB2 HIS 76 2HB HIS 76 17.665 31.803 -15.902
622 HB3 HIS 76 3HB HIS 76 16.351 30.798 -16.494
623 HD1 HIS 76 HD1 HIS 76 16.588 33.642 -14.660
624 HD2 HIS 76 HD2 HIS 76 14.852 29.979 -13.759
625 HE1 HIS 76 HE1 HIS 76 14.831 34.135 -12.943
626 HE2 HIS 76 HE2 HIS 76 13.734 31.923 -12.488
627 H HIS 77 H HIS 77 18.254 28.253 -13.215
628 HA HIS 77 HA HIS 77 20.687 29.607 -12.342
629 HB2 HIS 77 2HB HIS 77 18.969 30.686 -10.929
630 HB3 HIS 77 3HB HIS 77 18.318 29.114 -10.473
631 HD1 HIS 77 HD1 HIS 77 21.550 31.094 -10.092
632 HD2 HIS 77 HD2 HIS 77 19.428 28.096 -8.147
633 HE1 HIS 77 HE1 HIS 77 22.830 30.617 -7.983
634 HE2 HIS 77 HE2 HIS 77 21.666 28.632 -6.981
Start of MODEL 12
1 H1 MET 1 1H MET 1 -0.600 14.585 -5.435
2 H2 MET 1 2H MET 1 1.064 14.794 -5.617
3 H3 MET 1 3H MET 1 0.461 13.987 -4.264
4 HA MET 1 HA MET 1 -0.350 12.202 -5.630
5 HB2 MET 1 2HB MET 1 0.910 13.796 -7.897
6 HB3 MET 1 3HB MET 1 0.358 12.136 -8.055
7 HG2 MET 1 2HG MET 1 -1.947 12.871 -7.586
8 HG3 MET 1 3HG MET 1 -1.383 14.537 -7.458
9 HE1 MET 1 3HE MET 1 -0.201 15.217 -11.188
10 HE2 MET 1 1HE MET 1 0.816 14.628 -9.876
11 HE3 MET 1 2HE MET 1 -0.352 15.916 -9.575
12 H VAL 2 H VAL 2 1.091 11.109 -4.258
13 HA VAL 2 HA VAL 2 3.744 10.565 -5.499
14 HB VAL 2 HB VAL 2 2.930 10.176 -2.578
15 HG11 VAL 2 1HG1 VAL 2 5.287 9.499 -2.179
16 HG12 VAL 2 2HG1 VAL 2 5.590 9.559 -3.916
17 HG13 VAL 2 3HG1 VAL 2 4.445 8.388 -3.261
18 HG21 VAL 2 3HG2 VAL 2 3.314 12.544 -3.103
19 HG22 VAL 2 1HG2 VAL 2 4.906 12.162 -3.769
20 HG23 VAL 2 2HG2 VAL 2 4.586 11.930 -2.049
21 H ASP 3 H ASP 3 3.569 8.754 -6.672
22 HA ASP 3 HA ASP 3 1.360 6.914 -6.183
23 HB2 ASP 3 2HB ASP 3 1.924 5.955 -8.419
24 HB3 ASP 3 3HB ASP 3 1.594 7.675 -8.479
25 H LEU 4 H LEU 4 1.657 5.260 -4.884
26 HA LEU 4 HA LEU 4 4.151 3.660 -4.994
27 HB2 LEU 4 2HB LEU 4 1.973 3.666 -2.851
28 HB3 LEU 4 3HB LEU 4 3.448 2.716 -2.812
29 HG LEU 4 HG LEU 4 3.263 5.749 -2.571
30 HD11 LEU 4 1HD1 LEU 4 2.490 4.588 -0.558
31 HD12 LEU 4 2HD1 LEU 4 4.026 5.393 -0.253
32 HD13 LEU 4 3HD1 LEU 4 3.983 3.646 -0.498
33 HD21 LEU 4 3HD2 LEU 4 5.695 5.710 -2.117
34 HD22 LEU 4 1HD2 LEU 4 5.329 5.146 -3.749
35 HD23 LEU 4 2HD2 LEU 4 5.740 3.985 -2.486
36 H LYS 5 H LYS 5 3.809 2.061 -6.521
37 HA LYS 5 HA LYS 5 1.195 0.649 -6.539
38 HB2 LYS 5 2HB LYS 5 1.717 1.702 -8.692
39 HB3 LYS 5 3HB LYS 5 3.302 0.941 -8.731
40 HG2 LYS 5 2HG LYS 5 2.244 -1.279 -8.933
41 HG3 LYS 5 3HG LYS 5 0.645 -0.529 -8.877
42 HD2 LYS 5 2HD LYS 5 1.042 0.619 -10.985
43 HD3 LYS 5 3HD LYS 5 2.728 0.090 -11.011
44 HE2 LYS 5 2HE LYS 5 0.322 -1.752 -11.164
45 HE3 LYS 5 3HE LYS 5 1.289 -1.227 -12.539
46 HZ1 LYS 5 3HZ LYS 5 2.271 -2.832 -10.240
47 HZ2 LYS 5 1HZ LYS 5 3.209 -2.339 -11.563
48 HZ3 LYS 5 2HZ LYS 5 1.928 -3.421 -11.783
49 H ILE 6 H ILE 6 1.301 -1.216 -5.434
50 HA ILE 6 HA ILE 6 3.937 -2.488 -4.952
51 HB ILE 6 HB ILE 6 1.394 -2.702 -3.242
52 HG12 ILE 6 2HG1 ILE 6 2.965 -1.520 -1.481
53 HG13 ILE 6 3HG1 ILE 6 3.894 -0.997 -2.876
54 HG21 ILE 6 1HG2 ILE 6 2.809 -3.933 -1.636
55 HG22 ILE 6 2HG2 ILE 6 4.185 -3.821 -2.731
56 HG23 ILE 6 3HG2 ILE 6 2.761 -4.756 -3.194
57 HD11 ILE 6 3HD1 ILE 6 1.930 0.199 -3.726
58 HD12 ILE 6 1HD1 ILE 6 2.375 0.729 -2.105
59 HD13 ILE 6 2HD1 ILE 6 0.996 -0.345 -2.331
60 H ASP 7 H ASP 7 4.186 -4.442 -5.960
61 HA ASP 7 HA ASP 7 2.033 -5.909 -7.178
62 HB2 ASP 7 2HB ASP 7 4.333 -6.093 -8.068
63 HB3 ASP 7 3HB ASP 7 4.913 -6.728 -6.534
64 H VAL 8 H VAL 8 0.709 -7.369 -6.196
65 HA VAL 8 HA VAL 8 1.465 -8.577 -3.609
66 HB VAL 8 HB VAL 8 -0.970 -8.609 -2.985
67 HG11 VAL 8 1HG1 VAL 8 -1.127 -6.263 -2.231
68 HG12 VAL 8 2HG1 VAL 8 0.161 -5.805 -3.349
69 HG13 VAL 8 3HG1 VAL 8 0.503 -6.902 -2.010
70 HG21 VAL 8 3HG2 VAL 8 -2.027 -8.358 -5.179
71 HG22 VAL 8 1HG2 VAL 8 -1.353 -6.736 -5.360
72 HG23 VAL 8 2HG2 VAL 8 -2.563 -7.057 -4.120
73 H SER 9 H SER 9 1.450 -10.720 -3.676
74 HA SER 9 HA SER 9 0.982 -12.099 -6.148
75 HB2 SER 9 2HB SER 9 1.828 -14.083 -4.815
76 HB3 SER 9 3HB SER 9 2.917 -12.700 -4.842
77 HG SER 9 HG SER 9 1.114 -12.764 -2.727
78 H ASP 10 H ASP 10 -0.868 -11.569 -3.241
79 HA ASP 10 HA ASP 10 -2.834 -13.659 -4.045
80 HB2 ASP 10 2HB ASP 10 -2.375 -12.710 -1.182
81 HB3 ASP 10 3HB ASP 10 -3.376 -14.047 -1.714
82 H ASP 11 H ASP 11 -5.055 -13.185 -3.323
83 HA ASP 11 HA ASP 11 -5.761 -10.424 -3.965
84 HB2 ASP 11 2HB ASP 11 -8.093 -11.272 -4.117
85 HB3 ASP 11 3HB ASP 11 -6.984 -12.166 -5.144
86 H GLU 12 H GLU 12 -6.245 -12.712 -1.224
87 HA GLU 12 HA GLU 12 -7.524 -10.849 0.482
88 HB2 GLU 12 2HB GLU 12 -7.472 -13.277 1.003
89 HB3 GLU 12 3HB GLU 12 -5.738 -13.188 1.312
90 HG2 GLU 12 2HG GLU 12 -6.166 -11.610 3.176
91 HG3 GLU 12 3HG GLU 12 -7.892 -11.724 2.869
92 H GLU 13 H GLU 13 -4.117 -11.577 -0.094
93 HA GLU 13 HA GLU 13 -2.865 -10.061 1.898
94 HB2 GLU 13 2HB GLU 13 -1.647 -11.700 0.571
95 HB3 GLU 13 3HB GLU 13 -1.943 -10.799 -0.910
96 HG2 GLU 13 2HG GLU 13 -0.529 -8.957 -0.040
97 HG3 GLU 13 3HG GLU 13 -0.209 -9.913 1.409
98 H ALA 14 H ALA 14 -4.002 -9.157 -1.324
99 HA ALA 14 HA ALA 14 -3.128 -6.507 -1.455
100 HB1 ALA 14 3HB ALA 14 -4.929 -6.185 -3.099
101 HB2 ALA 14 1HB ALA 14 -5.690 -7.691 -2.576
102 HB3 ALA 14 2HB ALA 14 -4.110 -7.725 -3.354
103 H GLU 15 H GLU 15 -6.162 -7.834 -0.073
104 HA GLU 15 HA GLU 15 -7.238 -5.316 0.770
105 HB2 GLU 15 2HB GLU 15 -7.929 -8.166 1.564
106 HB3 GLU 15 3HB GLU 15 -8.825 -6.758 2.130
107 HG2 GLU 15 2HG GLU 15 -9.415 -6.185 -0.190
108 HG3 GLU 15 3HG GLU 15 -8.496 -7.575 -0.764
109 H LYS 16 H LYS 16 -5.005 -7.550 2.201
110 HA LYS 16 HA LYS 16 -5.128 -6.641 4.900
111 HB2 LYS 16 2HB LYS 16 -2.833 -7.933 3.366
112 HB3 LYS 16 3HB LYS 16 -2.852 -7.693 5.107
113 HG2 LYS 16 2HG LYS 16 -4.843 -9.403 3.599
114 HG3 LYS 16 3HG LYS 16 -3.385 -10.021 4.375
115 HD2 LYS 16 2HD LYS 16 -4.240 -9.178 6.569
116 HD3 LYS 16 3HD LYS 16 -5.723 -8.662 5.761
117 HE2 LYS 16 2HE LYS 16 -5.985 -10.840 6.908
118 HE3 LYS 16 3HE LYS 16 -6.251 -10.970 5.171
119 HZ1 LYS 16 3HZ LYS 16 -4.029 -11.866 4.924
120 HZ2 LYS 16 1HZ LYS 16 -4.911 -12.795 6.026
121 HZ3 LYS 16 2HZ LYS 16 -3.738 -11.706 6.579
122 H ILE 17 H ILE 17 -3.293 -5.663 2.021
123 HA ILE 17 HA ILE 17 -1.668 -3.662 3.254
124 HB ILE 17 HB ILE 17 -2.529 -3.814 0.320
125 HG12 ILE 17 2HG1 ILE 17 -1.470 -5.917 0.858
126 HG13 ILE 17 3HG1 ILE 17 -0.298 -4.965 -0.037
127 HG21 ILE 17 1HG2 ILE 17 -0.480 -2.513 -0.149
128 HG22 ILE 17 2HG2 ILE 17 -0.158 -2.385 1.581
129 HG23 ILE 17 3HG2 ILE 17 -1.592 -1.622 0.894
130 HD11 ILE 17 3HD1 ILE 17 0.747 -6.159 1.786
131 HD12 ILE 17 1HD1 ILE 17 -0.333 -5.398 2.950
132 HD13 ILE 17 2HD1 ILE 17 0.847 -4.424 2.071
133 H ILE 18 H ILE 18 -4.732 -3.573 1.468
134 HA ILE 18 HA ILE 18 -5.326 -0.857 1.418
135 HB ILE 18 HB ILE 18 -7.209 -3.252 1.658
136 HG12 ILE 18 2HG1 ILE 18 -6.375 -1.622 -0.793
137 HG13 ILE 18 3HG1 ILE 18 -5.770 -3.221 -0.385
138 HG21 ILE 18 1HG2 ILE 18 -9.038 -1.791 0.846
139 HG22 ILE 18 2HG2 ILE 18 -7.963 -0.396 0.939
140 HG23 ILE 18 3HG2 ILE 18 -8.420 -1.254 2.411
141 HD11 ILE 18 3HD1 ILE 18 -8.059 -4.111 -0.653
142 HD12 ILE 18 1HD1 ILE 18 -7.401 -3.391 -2.124
143 HD13 ILE 18 2HD1 ILE 18 -8.586 -2.505 -1.166
144 H ARG 19 H ARG 19 -6.304 -3.265 3.845
145 HA ARG 19 HA ARG 19 -7.644 -1.580 5.641
146 HB2 ARG 19 2HB ARG 19 -7.879 -4.037 5.640
147 HB3 ARG 19 3HB ARG 19 -6.200 -4.223 6.137
148 HG2 ARG 19 2HG ARG 19 -6.775 -3.021 8.271
149 HG3 ARG 19 3HG ARG 19 -8.468 -3.046 7.774
150 HD2 ARG 19 2HD ARG 19 -8.466 -5.494 7.788
151 HD3 ARG 19 3HD ARG 19 -6.737 -5.511 8.163
152 HE ARG 19 HE ARG 19 -7.798 -4.053 10.197
153 HH11 ARG 19 1HH1 ARG 19 -8.570 -7.268 8.954
154 HH12 ARG 19 2HH1 ARG 19 -9.100 -7.859 10.503
155 HH21 ARG 19 1HH2 ARG 19 -8.461 -4.869 12.206
156 HH22 ARG 19 2HH2 ARG 19 -9.040 -6.506 12.332
157 H GLU 20 H GLU 20 -4.297 -2.778 5.663
158 HA GLU 20 HA GLU 20 -3.374 -1.792 8.090
159 HB2 GLU 20 2HB GLU 20 -2.173 -3.478 6.839
160 HB3 GLU 20 3HB GLU 20 -1.956 -2.392 5.473
161 HG2 GLU 20 2HG GLU 20 0.124 -2.698 6.694
162 HG3 GLU 20 3HG GLU 20 -0.408 -1.026 6.761
163 H ILE 21 H ILE 21 -3.172 -0.284 4.864
164 HA ILE 21 HA ILE 21 -1.856 2.098 5.681
165 HB ILE 21 HB ILE 21 -3.594 1.598 3.218
166 HG12 ILE 21 2HG1 ILE 21 -1.640 0.094 3.288
167 HG13 ILE 21 3HG1 ILE 21 -1.447 1.280 2.007
168 HG21 ILE 21 1HG2 ILE 21 -2.448 3.560 2.214
169 HG22 ILE 21 2HG2 ILE 21 -1.663 3.888 3.759
170 HG23 ILE 21 3HG2 ILE 21 -3.418 4.005 3.619
171 HD11 ILE 21 3HD1 ILE 21 0.115 2.538 3.420
172 HD12 ILE 21 1HD1 ILE 21 0.640 0.875 3.164
173 HD13 ILE 21 2HD1 ILE 21 -0.085 1.339 4.700
174 H ARG 22 H ARG 22 -5.285 1.198 5.399
175 HA ARG 22 HA ARG 22 -6.238 3.920 5.678
176 HB2 ARG 22 2HB ARG 22 -7.691 1.258 5.601
177 HB3 ARG 22 3HB ARG 22 -8.523 2.800 5.790
178 HG2 ARG 22 2HG ARG 22 -7.640 3.556 3.608
179 HG3 ARG 22 3HG ARG 22 -6.785 2.026 3.423
180 HD2 ARG 22 2HD ARG 22 -8.934 0.820 3.414
181 HD3 ARG 22 3HD ARG 22 -9.805 2.342 3.594
182 HE ARG 22 HE ARG 22 -8.248 1.505 1.217
183 HH11 ARG 22 1HH1 ARG 22 -10.771 3.518 2.601
184 HH12 ARG 22 2HH1 ARG 22 -11.325 4.084 1.056
185 HH21 ARG 22 1HH2 ARG 22 -9.030 2.197 -0.795
186 HH22 ARG 22 2HH2 ARG 22 -10.336 3.338 -0.864
187 H GLU 23 H GLU 23 -5.428 1.406 7.957
188 HA GLU 23 HA GLU 23 -7.123 2.362 10.105
189 HB2 GLU 23 2HB GLU 23 -4.801 0.397 10.053
190 HB3 GLU 23 3HB GLU 23 -5.656 0.813 11.536
191 HG2 GLU 23 2HG GLU 23 -7.739 -0.082 10.637
192 HG3 GLU 23 3HG GLU 23 -6.965 -0.416 9.086
193 H GLN 24 H GLN 24 -3.781 2.923 9.061
194 HA GLN 24 HA GLN 24 -3.210 4.719 11.300
195 HB2 GLN 24 2HB GLN 24 -1.601 4.024 8.800
196 HB3 GLN 24 3HB GLN 24 -1.057 5.176 10.016
197 HG2 GLN 24 2HG GLN 24 -1.001 3.403 11.710
198 HG3 GLN 24 3HG GLN 24 -1.623 2.244 10.536
199 HE21 GLN 24 1HE2 GLN 24 1.176 4.150 11.480
200 HE22 GLN 24 2HE2 GLN 24 2.327 3.277 10.529
201 H TRP 25 H TRP 25 -3.652 4.972 7.775
202 HA TRP 25 HA TRP 25 -4.282 7.861 8.003
203 HB2 TRP 25 2HB TRP 25 -3.230 6.359 5.553
204 HB3 TRP 25 3HB TRP 25 -3.525 8.090 5.667
205 HD1 TRP 25 HD1 TRP 25 -1.686 9.544 7.085
206 HE1 TRP 25 HE1 TRP 25 0.763 9.031 7.668
207 HE3 TRP 25 HE3 TRP 25 -1.643 4.518 6.114
208 HZ2 TRP 25 HZ2 TRP 25 2.491 6.806 7.722
209 HZ3 TRP 25 HZ3 TRP 25 0.444 3.261 6.460
210 HH2 TRP 25 HH2 TRP 25 2.466 4.385 7.249
211 HA PRO 26 HA PRO 26 -8.308 5.928 6.620
212 HB2 PRO 26 2HB PRO 26 -9.930 7.861 7.712
213 HB3 PRO 26 3HB PRO 26 -9.293 6.498 8.655
214 HG2 PRO 26 2HG PRO 26 -8.273 9.314 8.502
215 HG3 PRO 26 3HG PRO 26 -8.510 8.283 9.932
216 HD2 PRO 26 2HD PRO 26 -6.068 8.628 8.803
217 HD3 PRO 26 3HD PRO 26 -6.539 7.094 9.568
218 H LYS 27 H LYS 27 -6.915 9.109 6.270
219 HA LYS 27 HA LYS 27 -8.616 9.901 4.023
220 HB2 LYS 27 2HB LYS 27 -6.413 11.316 5.574
221 HB3 LYS 27 3HB LYS 27 -7.198 12.018 4.163
222 HG2 LYS 27 2HG LYS 27 -9.371 11.979 5.314
223 HG3 LYS 27 3HG LYS 27 -8.628 11.208 6.718
224 HD2 LYS 27 2HD LYS 27 -9.007 13.670 7.004
225 HD3 LYS 27 3HD LYS 27 -7.320 13.186 7.204
226 HE2 LYS 27 2HE LYS 27 -7.567 15.275 5.884
227 HE3 LYS 27 3HE LYS 27 -6.775 13.993 4.973
228 HZ1 LYS 27 3HZ LYS 27 -8.925 13.547 3.879
229 HZ2 LYS 27 1HZ LYS 27 -8.367 15.116 3.591
230 HZ3 LYS 27 2HZ LYS 27 -9.611 14.854 4.703
231 H ALA 28 H ALA 28 -6.946 7.579 3.534
232 HA ALA 28 HA ALA 28 -4.750 8.576 1.817
233 HB1 ALA 28 3HB ALA 28 -3.794 7.223 3.623
234 HB2 ALA 28 1HB ALA 28 -3.697 6.318 2.114
235 HB3 ALA 28 2HB ALA 28 -4.936 5.918 3.312
236 H THR 29 H THR 29 -5.602 8.481 -0.324
237 HA THR 29 HA THR 29 -7.734 6.748 -0.981
238 HB THR 29 HB THR 29 -5.791 8.210 -2.834
239 HG1 THR 29 HG1 THR 29 -8.099 9.037 -1.422
240 HG21 THR 29 3HG2 THR 29 -8.623 7.212 -3.347
241 HG22 THR 29 1HG2 THR 29 -7.153 6.527 -4.037
242 HG23 THR 29 2HG2 THR 29 -7.650 8.163 -4.473
243 H VAL 30 H VAL 30 -7.343 4.641 -0.717
244 HA VAL 30 HA VAL 30 -5.085 3.335 -2.125
245 HB VAL 30 HB VAL 30 -7.078 1.924 -0.264
246 HG11 VAL 30 1HG1 VAL 30 -5.305 0.212 -0.075
247 HG12 VAL 30 2HG1 VAL 30 -4.266 1.152 -1.149
248 HG13 VAL 30 3HG1 VAL 30 -5.772 0.463 -1.758
249 HG21 VAL 30 3HG2 VAL 30 -4.411 3.119 0.589
250 HG22 VAL 30 1HG2 VAL 30 -5.480 2.134 1.593
251 HG23 VAL 30 2HG2 VAL 30 -6.002 3.726 1.044
252 H THR 31 H THR 31 -5.547 1.900 -3.778
253 HA THR 31 HA THR 31 -8.349 1.756 -4.745
254 HB THR 31 HB THR 31 -5.829 1.897 -6.473
255 HG1 THR 31 HG1 THR 31 -6.090 3.897 -5.527
256 HG21 THR 31 3HG2 THR 31 -7.391 2.306 -8.319
257 HG22 THR 31 1HG2 THR 31 -8.767 2.183 -7.218
258 HG23 THR 31 2HG2 THR 31 -7.764 0.767 -7.544
259 H ARG 32 H ARG 32 -9.073 -0.280 -5.378
260 HA ARG 32 HA ARG 32 -7.396 -2.567 -4.664
261 HB2 ARG 32 2HB ARG 32 -9.579 -2.518 -3.601
262 HB3 ARG 32 3HB ARG 32 -10.373 -2.126 -5.118
263 HG2 ARG 32 2HG ARG 32 -10.840 -4.427 -4.447
264 HG3 ARG 32 3HG ARG 32 -9.955 -4.373 -5.971
265 HD2 ARG 32 2HD ARG 32 -7.882 -4.978 -4.808
266 HD3 ARG 32 3HD ARG 32 -8.734 -4.967 -3.254
267 HE ARG 32 HE ARG 32 -9.864 -6.743 -5.259
268 HH11 ARG 32 1HH1 ARG 32 -7.579 -6.465 -2.632
269 HH12 ARG 32 2HH1 ARG 32 -7.560 -8.161 -2.308
270 HH21 ARG 32 1HH2 ARG 32 -9.887 -8.981 -4.791
271 HH22 ARG 32 2HH2 ARG 32 -8.867 -9.596 -3.530
272 H THR 33 H THR 33 -6.427 -3.643 -6.283
273 HA THR 33 HA THR 33 -7.702 -3.994 -8.857
274 HB THR 33 HB THR 33 -6.344 -2.077 -9.402
275 HG1 THR 33 HG1 THR 33 -4.949 -4.387 -10.310
276 HG21 THR 33 3HG2 THR 33 -3.911 -1.970 -9.112
277 HG22 THR 33 1HG2 THR 33 -3.934 -3.517 -8.264
278 HG23 THR 33 2HG2 THR 33 -4.724 -2.110 -7.552
279 H ASN 34 H ASN 34 -7.174 -5.989 -9.746
280 HA ASN 34 HA ASN 34 -6.218 -7.950 -7.861
281 HB2 ASN 34 2HB ASN 34 -8.154 -8.265 -9.486
282 HB3 ASN 34 3HB ASN 34 -6.967 -8.400 -10.779
283 HD21 ASN 34 1HD2 ASN 34 -7.652 -10.525 -11.232
284 HD22 ASN 34 2HD2 ASN 34 -7.283 -11.855 -10.192
285 H GLY 35 H GLY 35 -4.073 -8.126 -7.514
286 HA2 GLY 35 2HA GLY 35 -2.041 -9.214 -8.320
287 HA3 GLY 35 3HA GLY 35 -2.210 -8.331 -9.828
288 H ASP 36 H ASP 36 -3.034 -5.932 -7.983
289 HA ASP 36 HA ASP 36 -0.410 -5.172 -6.909
290 HB2 ASP 36 2HB ASP 36 -1.826 -3.665 -9.151
291 HB3 ASP 36 3HB ASP 36 -0.627 -2.894 -8.123
292 H ILE 37 H ILE 37 -0.542 -2.941 -5.913
293 HA ILE 37 HA ILE 37 -3.212 -2.105 -4.968
294 HB ILE 37 HB ILE 37 -0.693 -2.404 -3.250
295 HG12 ILE 37 2HG1 ILE 37 -2.195 -4.382 -3.305
296 HG13 ILE 37 3HG1 ILE 37 -2.204 -3.647 -1.709
297 HG21 ILE 37 1HG2 ILE 37 -1.550 -0.136 -2.825
298 HG22 ILE 37 2HG2 ILE 37 -1.846 -1.166 -1.431
299 HG23 ILE 37 3HG2 ILE 37 -3.170 -0.772 -2.526
300 HD11 ILE 37 3HD1 ILE 37 -4.436 -4.326 -2.344
301 HD12 ILE 37 1HD1 ILE 37 -4.351 -3.355 -3.815
302 HD13 ILE 37 2HD1 ILE 37 -4.357 -2.570 -2.234
303 H LYS 38 H LYS 38 -3.539 -0.176 -5.876
304 HA LYS 38 HA LYS 38 -1.267 1.632 -6.394
305 HB2 LYS 38 2HB LYS 38 -4.166 1.777 -7.335
306 HB3 LYS 38 3HB LYS 38 -2.893 2.913 -7.773
307 HG2 LYS 38 2HG LYS 38 -1.654 1.146 -8.935
308 HG3 LYS 38 3HG LYS 38 -2.852 -0.053 -8.448
309 HD2 LYS 38 2HD LYS 38 -3.406 2.347 -10.235
310 HD3 LYS 38 3HD LYS 38 -3.158 0.696 -10.803
311 HE2 LYS 38 2HE LYS 38 -5.179 -0.052 -9.675
312 HE3 LYS 38 3HE LYS 38 -5.390 1.528 -8.915
313 HZ1 LYS 38 3HZ LYS 38 -5.489 1.018 -11.844
314 HZ2 LYS 38 1HZ LYS 38 -5.784 2.499 -11.077
315 HZ3 LYS 38 2HZ LYS 38 -6.840 1.197 -10.848
316 H LEU 39 H LEU 39 -0.799 2.807 -4.704
317 HA LEU 39 HA LEU 39 -2.896 3.986 -2.980
318 HB2 LEU 39 2HB LEU 39 -1.558 2.399 -1.733
319 HB3 LEU 39 3HB LEU 39 -0.062 3.070 -2.359
320 HG LEU 39 HG LEU 39 -0.394 5.122 -1.026
321 HD11 LEU 39 1HD1 LEU 39 -2.837 5.260 -0.982
322 HD12 LEU 39 2HD1 LEU 39 -2.190 5.305 0.656
323 HD13 LEU 39 3HD1 LEU 39 -2.926 3.823 0.040
324 HD21 LEU 39 3HD2 LEU 39 -0.040 4.132 1.207
325 HD22 LEU 39 1HD2 LEU 39 0.864 3.276 -0.040
326 HD23 LEU 39 2HD2 LEU 39 -0.620 2.576 0.613
327 H ASP 40 H ASP 40 -2.789 6.166 -2.579
328 HA ASP 40 HA ASP 40 -0.743 7.775 -4.001
329 HB2 ASP 40 2HB ASP 40 -2.897 7.998 -5.138
330 HB3 ASP 40 3HB ASP 40 -3.727 8.330 -3.623
331 H ALA 41 H ALA 41 0.567 8.453 -2.445
332 HA ALA 41 HA ALA 41 -0.335 9.336 0.192
333 HB1 ALA 41 3HB ALA 41 1.814 8.165 -0.005
334 HB2 ALA 41 1HB ALA 41 2.047 9.790 0.639
335 HB3 ALA 41 2HB ALA 41 2.437 9.442 -1.047
336 H GLN 42 H GLN 42 -0.549 11.396 0.867
337 HA GLN 42 HA GLN 42 -1.047 13.502 -0.968
338 HB2 GLN 42 2HB GLN 42 -0.787 13.521 2.063
339 HB3 GLN 42 3HB GLN 42 -1.357 14.897 1.127
340 HG2 GLN 42 2HG GLN 42 -2.703 12.181 1.220
341 HG3 GLN 42 3HG GLN 42 -3.188 13.586 2.169
342 HE21 GLN 42 1HE2 GLN 42 -4.171 15.352 1.108
343 HE22 GLN 42 2HE2 GLN 42 -4.858 15.193 -0.471
344 H THR 43 H THR 43 1.707 12.687 1.034
345 HA THR 43 HA THR 43 3.363 14.572 -0.469
346 HB THR 43 HB THR 43 2.692 15.695 1.735
347 HG1 THR 43 HG1 THR 43 5.406 15.595 1.966
348 HG21 THR 43 3HG2 THR 43 4.587 13.650 2.975
349 HG22 THR 43 1HG2 THR 43 2.844 13.707 3.239
350 HG23 THR 43 2HG2 THR 43 3.862 15.034 3.797
351 H GLU 44 H GLU 44 5.695 14.119 -0.141
352 HA GLU 44 HA GLU 44 6.229 11.399 -0.669
353 HB2 GLU 44 2HB GLU 44 8.769 12.369 -0.253
354 HB3 GLU 44 3HB GLU 44 7.879 12.529 -1.751
355 HG2 GLU 44 2HG GLU 44 8.835 14.644 -1.315
356 HG3 GLU 44 3HG GLU 44 7.118 14.797 -0.979
357 H LYS 45 H LYS 45 6.672 13.316 2.283
358 HA LYS 45 HA LYS 45 8.141 11.363 3.737
359 HB2 LYS 45 2HB LYS 45 6.555 13.786 4.635
360 HB3 LYS 45 3HB LYS 45 7.444 12.762 5.765
361 HG2 LYS 45 2HG LYS 45 9.540 13.240 4.615
362 HG3 LYS 45 3HG LYS 45 8.684 14.208 3.407
363 HD2 LYS 45 2HD LYS 45 8.012 15.814 5.160
364 HD3 LYS 45 3HD LYS 45 8.850 14.844 6.382
365 HE2 LYS 45 2HE LYS 45 10.191 16.784 5.640
366 HE3 LYS 45 3HE LYS 45 10.995 15.256 5.275
367 HZ1 LYS 45 3HZ LYS 45 9.472 16.940 3.363
368 HZ2 LYS 45 1HZ LYS 45 10.164 15.446 2.990
369 HZ3 LYS 45 2HZ LYS 45 11.144 16.754 3.417
370 H GLU 46 H GLU 46 4.730 11.636 3.077
371 HA GLU 46 HA GLU 46 3.842 10.076 5.353
372 HB2 GLU 46 2HB GLU 46 2.401 11.797 4.274
373 HB3 GLU 46 3HB GLU 46 2.384 10.864 2.781
374 HG2 GLU 46 2HG GLU 46 1.178 9.057 3.903
375 HG3 GLU 46 3HG GLU 46 1.277 9.912 5.440
376 H ALA 47 H ALA 47 4.691 9.644 1.990
377 HA ALA 47 HA ALA 47 3.842 7.009 1.505
378 HB1 ALA 47 3HB ALA 47 4.487 8.585 -0.278
379 HB2 ALA 47 1HB ALA 47 5.380 7.070 -0.410
380 HB3 ALA 47 2HB ALA 47 6.169 8.507 0.247
381 H GLU 48 H GLU 48 6.664 8.264 3.157
382 HA GLU 48 HA GLU 48 8.416 6.080 2.908
383 HB2 GLU 48 2HB GLU 48 8.308 8.024 5.249
384 HB3 GLU 48 3HB GLU 48 9.696 7.074 4.736
385 HG2 GLU 48 2HG GLU 48 8.442 9.421 3.287
386 HG3 GLU 48 3HG GLU 48 10.022 9.357 4.062
387 H LYS 49 H LYS 49 5.878 6.750 5.308
388 HA LYS 49 HA LYS 49 6.505 4.299 6.805
389 HB2 LYS 49 2HB LYS 49 4.133 6.131 7.322
390 HB3 LYS 49 3HB LYS 49 4.806 4.917 8.392
391 HG2 LYS 49 2HG LYS 49 5.586 6.872 9.364
392 HG3 LYS 49 3HG LYS 49 6.954 6.421 8.345
393 HD2 LYS 49 2HD LYS 49 6.514 8.806 8.128
394 HD3 LYS 49 3HD LYS 49 6.148 8.006 6.601
395 HE2 LYS 49 2HE LYS 49 4.422 9.630 7.054
396 HE3 LYS 49 3HE LYS 49 3.721 8.028 7.253
397 HZ1 LYS 49 3HZ LYS 49 3.979 8.282 9.659
398 HZ2 LYS 49 1HZ LYS 49 3.031 9.525 9.005
399 HZ3 LYS 49 2HZ LYS 49 4.639 9.822 9.433
400 H MET 50 H MET 50 4.194 5.552 4.532
401 HA MET 50 HA MET 50 2.204 3.583 4.546
402 HB2 MET 50 2HB MET 50 3.248 5.295 2.270
403 HB3 MET 50 3HB MET 50 1.995 4.096 1.990
404 HG2 MET 50 2HG MET 50 0.577 5.215 3.696
405 HG3 MET 50 3HG MET 50 1.819 6.465 3.855
406 HE1 MET 50 3HE MET 50 -0.517 8.004 3.306
407 HE2 MET 50 1HE MET 50 -1.443 6.571 2.852
408 HE3 MET 50 2HE MET 50 -1.313 7.928 1.733
409 H GLU 51 H GLU 51 4.992 3.582 2.280
410 HA GLU 51 HA GLU 51 4.849 1.002 1.291
411 HB2 GLU 51 2HB GLU 51 7.266 1.257 0.752
412 HB3 GLU 51 3HB GLU 51 6.373 2.736 0.409
413 HG2 GLU 51 2HG GLU 51 7.144 3.670 2.554
414 HG3 GLU 51 3HG GLU 51 8.064 2.215 2.863
415 H LYS 52 H LYS 52 6.058 2.064 4.378
416 HA LYS 52 HA LYS 52 7.517 -0.325 5.123
417 HB2 LYS 52 2HB LYS 52 7.481 2.315 6.048
418 HB3 LYS 52 3HB LYS 52 6.625 1.493 7.337
419 HG2 LYS 52 2HG LYS 52 9.416 0.828 6.344
420 HG3 LYS 52 3HG LYS 52 9.039 1.742 7.798
421 HD2 LYS 52 2HD LYS 52 8.315 -1.173 7.317
422 HD3 LYS 52 3HD LYS 52 9.674 -0.603 8.282
423 HE2 LYS 52 2HE LYS 52 8.063 0.544 9.808
424 HE3 LYS 52 3HE LYS 52 6.732 -0.147 8.875
425 HZ1 LYS 52 3HZ LYS 52 8.809 -1.733 10.298
426 HZ2 LYS 52 1HZ LYS 52 7.459 -2.348 9.489
427 HZ3 LYS 52 2HZ LYS 52 7.257 -1.422 10.890
428 H ALA 53 H ALA 53 4.328 1.049 5.691
429 HA ALA 53 HA ALA 53 3.295 -0.831 7.519
430 HB1 ALA 53 3HB ALA 53 1.779 0.938 5.564
431 HB2 ALA 53 1HB ALA 53 2.290 1.397 7.189
432 HB3 ALA 53 2HB ALA 53 1.092 0.123 6.971
433 H VAL 54 H VAL 54 3.099 -0.609 3.966
434 HA VAL 54 HA VAL 54 1.657 -2.860 3.293
435 HB VAL 54 HB VAL 54 4.175 -1.783 1.929
436 HG11 VAL 54 1HG1 VAL 54 3.659 -4.033 1.115
437 HG12 VAL 54 2HG1 VAL 54 3.345 -2.833 -0.133
438 HG13 VAL 54 3HG1 VAL 54 1.998 -3.548 0.754
439 HG21 VAL 54 3HG2 VAL 54 1.257 -1.076 1.423
440 HG22 VAL 54 1HG2 VAL 54 2.630 -0.502 0.474
441 HG23 VAL 54 2HG2 VAL 54 2.471 -0.037 2.166
442 H LYS 55 H LYS 55 5.186 -2.658 3.741
443 HA LYS 55 HA LYS 55 5.739 -5.382 3.421
444 HB2 LYS 55 2HB LYS 55 7.419 -3.254 4.773
445 HB3 LYS 55 3HB LYS 55 8.003 -4.865 4.355
446 HG2 LYS 55 2HG LYS 55 7.508 -4.399 1.957
447 HG3 LYS 55 3HG LYS 55 7.028 -2.756 2.401
448 HD2 LYS 55 2HD LYS 55 9.323 -2.401 3.345
449 HD3 LYS 55 3HD LYS 55 9.775 -4.003 2.761
450 HE2 LYS 55 2HE LYS 55 9.302 -3.262 0.442
451 HE3 LYS 55 3HE LYS 55 8.905 -1.652 1.053
452 HZ1 LYS 55 3HZ LYS 55 11.543 -3.011 1.210
453 HZ2 LYS 55 1HZ LYS 55 11.193 -1.526 1.944
454 HZ3 LYS 55 2HZ LYS 55 11.144 -1.672 0.262
455 H LYS 56 H LYS 56 4.343 -3.971 6.212
456 HA LYS 56 HA LYS 56 5.222 -5.775 8.231
457 HB2 LYS 56 2HB LYS 56 2.487 -4.458 7.900
458 HB3 LYS 56 3HB LYS 56 3.035 -5.272 9.363
459 HG2 LYS 56 2HG LYS 56 4.780 -3.583 9.690
460 HG3 LYS 56 3HG LYS 56 4.317 -2.786 8.178
461 HD2 LYS 56 2HD LYS 56 2.026 -2.411 9.141
462 HD3 LYS 56 3HD LYS 56 2.596 -3.075 10.672
463 HE2 LYS 56 2HE LYS 56 4.115 -1.239 10.987
464 HE3 LYS 56 3HE LYS 56 3.856 -0.662 9.338
465 HZ1 LYS 56 3HZ LYS 56 2.622 0.687 10.866
466 HZ2 LYS 56 1HZ LYS 56 1.851 -0.662 11.537
467 HZ3 LYS 56 2HZ LYS 56 1.522 -0.204 9.941
468 H VAL 57 H VAL 57 2.592 -5.927 5.888
469 HA VAL 57 HA VAL 57 1.648 -8.570 6.525
470 HB VAL 57 HB VAL 57 1.194 -6.761 4.109
471 HG11 VAL 57 1HG1 VAL 57 -0.317 -9.303 4.808
472 HG12 VAL 57 2HG1 VAL 57 0.771 -9.079 3.439
473 HG13 VAL 57 3HG1 VAL 57 -0.737 -8.175 3.516
474 HG21 VAL 57 3HG2 VAL 57 -0.984 -6.238 5.131
475 HG22 VAL 57 1HG2 VAL 57 0.346 -5.807 6.209
476 HG23 VAL 57 2HG2 VAL 57 -0.599 -7.266 6.513
477 H LYS 58 H LYS 58 4.121 -7.266 4.397
478 HA LYS 58 HA LYS 58 4.807 -9.828 3.288
479 HB2 LYS 58 2HB LYS 58 4.414 -9.125 0.876
480 HB3 LYS 58 3HB LYS 58 2.958 -9.443 1.805
481 HG2 LYS 58 2HG LYS 58 2.608 -7.024 2.108
482 HG3 LYS 58 3HG LYS 58 4.069 -6.692 1.182
483 HD2 LYS 58 2HD LYS 58 1.578 -8.065 0.101
484 HD3 LYS 58 3HD LYS 58 1.995 -6.373 -0.144
485 HE2 LYS 58 2HE LYS 58 2.682 -7.369 -2.134
486 HE3 LYS 58 3HE LYS 58 4.179 -7.298 -1.214
487 HZ1 LYS 58 3HZ LYS 58 2.460 -9.661 -1.700
488 HZ2 LYS 58 1HZ LYS 58 3.710 -9.662 -0.566
489 HZ3 LYS 58 2HZ LYS 58 4.051 -9.417 -2.196
490 HA PRO 59 HA PRO 59 8.465 -7.036 3.719
491 HB2 PRO 59 2HB PRO 59 10.348 -9.018 4.015
492 HB3 PRO 59 3HB PRO 59 9.297 -8.481 5.340
493 HG2 PRO 59 2HG PRO 59 8.975 -10.862 3.543
494 HG3 PRO 59 3HG PRO 59 8.810 -10.762 5.313
495 HD2 PRO 59 2HD PRO 59 6.646 -10.744 3.694
496 HD3 PRO 59 3HD PRO 59 6.689 -9.794 5.197
497 H ASN 60 H ASN 60 7.749 -9.437 1.349
498 HA ASN 60 HA ASN 60 10.063 -8.847 -0.361
499 HB2 ASN 60 2HB ASN 60 7.725 -10.750 -0.854
500 HB3 ASN 60 3HB ASN 60 9.233 -10.685 -1.763
501 HD21 ASN 60 1HD2 ASN 60 11.111 -11.560 -0.827
502 HD22 ASN 60 2HD2 ASN 60 11.058 -12.605 0.547
503 H ALA 61 H ALA 61 7.502 -7.079 0.254
504 HA ALA 61 HA ALA 61 5.882 -6.776 -1.977
505 HB1 ALA 61 3HB ALA 61 5.286 -4.573 -1.040
506 HB2 ALA 61 1HB ALA 61 6.698 -4.635 0.023
507 HB3 ALA 61 2HB ALA 61 5.384 -5.794 0.227
508 H THR 62 H THR 62 6.418 -6.271 -4.020
509 HA THR 62 HA THR 62 8.815 -4.721 -4.670
510 HB THR 62 HB THR 62 6.712 -5.929 -6.526
511 HG1 THR 62 HG1 THR 62 8.423 -7.190 -4.940
512 HG21 THR 62 3HG2 THR 62 8.162 -4.267 -7.654
513 HG22 THR 62 1HG2 THR 62 8.498 -5.900 -8.232
514 HG23 THR 62 2HG2 THR 62 9.594 -5.127 -7.087
515 H ILE 63 H ILE 63 8.487 -2.591 -4.202
516 HA ILE 63 HA ILE 63 5.890 -1.304 -4.749
517 HB ILE 63 HB ILE 63 8.248 -0.385 -3.020
518 HG12 ILE 63 2HG1 ILE 63 5.520 -1.437 -2.137
519 HG13 ILE 63 3HG1 ILE 63 6.980 -2.419 -2.177
520 HG21 ILE 63 1HG2 ILE 63 5.474 0.874 -3.288
521 HG22 ILE 63 2HG2 ILE 63 6.978 1.558 -3.906
522 HG23 ILE 63 3HG2 ILE 63 6.739 1.395 -2.168
523 HD11 ILE 63 3HD1 ILE 63 6.506 -1.710 0.042
524 HD12 ILE 63 1HD1 ILE 63 6.441 -0.019 -0.457
525 HD13 ILE 63 2HD1 ILE 63 7.970 -0.900 -0.515
526 H ARG 64 H ARG 64 5.699 0.123 -6.339
527 HA ARG 64 HA ARG 64 8.059 1.190 -7.755
528 HB2 ARG 64 2HB ARG 64 5.111 1.208 -8.586
529 HB3 ARG 64 3HB ARG 64 6.459 1.782 -9.560
530 HG2 ARG 64 2HG ARG 64 5.902 -1.081 -8.738
531 HG3 ARG 64 3HG ARG 64 5.747 -0.392 -10.354
532 HD2 ARG 64 2HD ARG 64 8.322 -0.785 -8.794
533 HD3 ARG 64 3HD ARG 64 7.790 -1.700 -10.206
534 HE ARG 64 HE ARG 64 7.841 0.735 -11.243
535 HH11 ARG 64 1HH1 ARG 64 10.246 -0.834 -9.207
536 HH12 ARG 64 2HH1 ARG 64 11.570 0.051 -9.889
537 HH21 ARG 64 1HH2 ARG 64 9.612 1.918 -12.111
538 HH22 ARG 64 2HH2 ARG 64 11.215 1.601 -11.525
539 H LYS 65 H LYS 65 8.701 2.982 -6.760
540 HA LYS 65 HA LYS 65 6.746 4.738 -5.402
541 HB2 LYS 65 2HB LYS 65 8.273 3.612 -3.878
542 HB3 LYS 65 3HB LYS 65 9.670 4.097 -4.833
543 HG2 LYS 65 2HG LYS 65 9.259 6.461 -4.258
544 HG3 LYS 65 3HG LYS 65 7.849 5.986 -3.302
545 HD2 LYS 65 2HD LYS 65 9.290 4.705 -1.776
546 HD3 LYS 65 3HD LYS 65 10.706 5.098 -2.760
547 HE2 LYS 65 2HE LYS 65 10.479 7.464 -2.219
548 HE3 LYS 65 3HE LYS 65 8.976 7.151 -1.344
549 HZ1 LYS 65 3HZ LYS 65 10.851 7.369 0.144
550 HZ2 LYS 65 1HZ LYS 65 11.633 6.070 -0.601
551 HZ3 LYS 65 2HZ LYS 65 10.190 5.819 0.230
552 H THR 66 H THR 66 6.521 6.740 -6.199
553 HA THR 66 HA THR 66 8.842 8.236 -7.149
554 HB THR 66 HB THR 66 6.313 8.027 -8.869
555 HG1 THR 66 HG1 THR 66 8.782 6.702 -8.940
556 HG21 THR 66 3HG2 THR 66 7.562 9.344 -10.527
557 HG22 THR 66 1HG2 THR 66 8.951 9.441 -9.436
558 HG23 THR 66 2HG2 THR 66 7.438 10.245 -9.018
559 H GLY 67 H GLY 67 8.809 10.150 -6.134
560 HA2 GLY 67 2HA GLY 67 6.497 11.819 -5.779
561 HA3 GLY 67 3HA GLY 67 6.975 11.027 -4.274
562 H GLY 68 H GLY 68 9.636 10.999 -4.284
563 HA2 GLY 68 2HA GLY 68 11.655 12.093 -4.264
564 HA3 GLY 68 3HA GLY 68 10.999 13.225 -5.436
565 H SER 69 H SER 69 10.600 15.239 -4.784
566 HA SER 69 HA SER 69 9.490 16.087 -2.357
567 HB2 SER 69 2HB SER 69 11.703 15.695 -1.356
568 HB3 SER 69 3HB SER 69 12.477 16.654 -2.616
569 HG SER 69 HG SER 69 11.129 17.459 -0.351
570 H LEU 70 H LEU 70 8.227 17.583 -3.240
571 HA LEU 70 HA LEU 70 8.848 18.950 -5.684
572 HB2 LEU 70 2HB LEU 70 6.515 19.216 -3.758
573 HB3 LEU 70 3HB LEU 70 6.600 20.027 -5.316
574 HG LEU 70 HG LEU 70 6.621 17.003 -4.959
575 HD11 LEU 70 1HD1 LEU 70 4.307 18.781 -5.782
576 HD12 LEU 70 2HD1 LEU 70 4.474 17.920 -4.249
577 HD13 LEU 70 3HD1 LEU 70 4.313 17.015 -5.749
578 HD21 LEU 70 3HD2 LEU 70 6.221 16.916 -7.392
579 HD22 LEU 70 1HD2 LEU 70 7.754 17.701 -7.016
580 HD23 LEU 70 2HD2 LEU 70 6.359 18.673 -7.489
581 H GLU 71 H GLU 71 7.567 20.582 -2.756
582 HA GLU 71 HA GLU 71 9.618 22.689 -3.044
583 HB2 GLU 71 2HB GLU 71 7.178 23.383 -2.920
584 HB3 GLU 71 3HB GLU 71 7.116 22.735 -1.285
585 HG2 GLU 71 2HG GLU 71 8.880 24.359 -0.603
586 HG3 GLU 71 3HG GLU 71 8.874 25.026 -2.233
587 H HIS 72 H HIS 72 11.392 22.276 -1.921
588 HA HIS 72 HA HIS 72 11.532 20.476 0.332
589 HB2 HIS 72 2HB HIS 72 13.628 22.349 -0.877
590 HB3 HIS 72 3HB HIS 72 13.961 21.151 0.372
591 HD1 HIS 72 HD1 HIS 72 15.020 19.127 -0.577
592 HD2 HIS 72 HD2 HIS 72 12.391 20.853 -3.300
593 HE1 HIS 72 HE1 HIS 72 15.216 17.756 -2.674
594 HE2 HIS 72 HE2 HIS 72 13.727 18.902 -4.341
595 H HIS 73 H HIS 73 11.270 21.039 2.441
596 HA HIS 73 HA HIS 73 10.528 23.723 3.174
597 HB2 HIS 73 2HB HIS 73 10.804 21.205 4.865
598 HB3 HIS 73 3HB HIS 73 10.240 22.747 5.501
599 HD1 HIS 73 HD1 HIS 73 7.785 22.548 5.823
600 HD2 HIS 73 HD2 HIS 73 9.003 20.718 2.300
601 HE1 HIS 73 HE1 HIS 73 5.687 21.717 4.738
602 HE2 HIS 73 HE2 HIS 73 6.432 20.829 2.505
603 H HIS 74 H HIS 74 13.544 22.234 2.936
604 HA HIS 74 HA HIS 74 14.919 23.856 4.874
605 HB2 HIS 74 2HB HIS 74 15.892 21.736 3.980
606 HB3 HIS 74 3HB HIS 74 16.032 22.473 2.387
607 HD1 HIS 74 HD1 HIS 74 17.728 22.205 5.661
608 HD2 HIS 74 HD2 HIS 74 18.087 24.533 2.236
609 HE1 HIS 74 HE1 HIS 74 19.978 23.312 5.834
610 HE2 HIS 74 HE2 HIS 74 20.164 24.736 3.768
611 H HIS 75 H HIS 75 14.324 25.954 4.619
612 HA HIS 75 HA HIS 75 15.158 27.425 2.175
613 HB2 HIS 75 2HB HIS 75 12.853 28.051 4.092
614 HB3 HIS 75 3HB HIS 75 13.429 29.165 2.859
615 HD1 HIS 75 HD1 HIS 75 12.566 28.831 0.507
616 HD2 HIS 75 HD2 HIS 75 11.403 25.819 3.111
617 HE1 HIS 75 HE1 HIS 75 10.826 27.512 -0.725
618 HE2 HIS 75 HE2 HIS 75 10.342 25.556 0.775
619 H HIS 76 H HIS 76 15.775 29.720 2.740
620 HA HIS 76 HA HIS 76 16.971 29.995 5.414
621 HB2 HIS 76 2HB HIS 76 18.321 30.693 3.414
622 HB3 HIS 76 3HB HIS 76 17.115 31.921 3.042
623 HD1 HIS 76 HD1 HIS 76 19.821 31.093 5.540
624 HD2 HIS 76 HD2 HIS 76 17.286 34.251 4.612
625 HE1 HIS 76 HE1 HIS 76 20.665 33.049 6.870
626 HE2 HIS 76 HE2 HIS 76 19.191 34.974 6.201
627 H HIS 77 H HIS 77 15.048 30.096 6.601
628 HA HIS 77 HA HIS 77 13.131 32.231 6.181
629 HB2 HIS 77 2HB HIS 77 12.360 30.087 7.134
630 HB3 HIS 77 3HB HIS 77 13.462 30.259 8.499
631 HD1 HIS 77 HD1 HIS 77 12.628 31.587 10.483
632 HD2 HIS 77 HD2 HIS 77 10.152 32.003 7.165
633 HE1 HIS 77 HE1 HIS 77 10.605 32.825 11.301
634 HE2 HIS 77 HE2 HIS 77 9.237 33.258 9.238
Start of MODEL 13
1 H1 MET 1 1H MET 1 -0.303 13.945 -3.312
2 H2 MET 1 2H MET 1 1.342 13.568 -3.308
3 H3 MET 1 3H MET 1 0.204 12.408 -2.859
4 HA MET 1 HA MET 1 -0.670 12.240 -5.013
5 HB2 MET 1 2HB MET 1 0.228 13.623 -6.894
6 HB3 MET 1 3HB MET 1 -0.562 14.591 -5.659
7 HG2 MET 1 2HG MET 1 1.607 15.264 -4.759
8 HG3 MET 1 3HG MET 1 2.431 14.236 -5.932
9 HE1 MET 1 3HE MET 1 0.541 17.576 -5.279
10 HE2 MET 1 1HE MET 1 -0.655 16.815 -6.329
11 HE3 MET 1 2HE MET 1 0.270 18.203 -6.904
12 H VAL 2 H VAL 2 1.681 11.240 -3.336
13 HA VAL 2 HA VAL 2 3.616 10.314 -5.303
14 HB VAL 2 HB VAL 2 3.338 9.493 -2.374
15 HG11 VAL 2 1HG1 VAL 2 5.685 8.713 -2.571
16 HG12 VAL 2 2HG1 VAL 2 5.678 9.126 -4.288
17 HG13 VAL 2 3HG1 VAL 2 4.624 7.846 -3.685
18 HG21 VAL 2 3HG2 VAL 2 5.157 11.104 -1.904
19 HG22 VAL 2 1HG2 VAL 2 3.734 11.921 -2.560
20 HG23 VAL 2 2HG2 VAL 2 5.137 11.626 -3.591
21 H ASP 3 H ASP 3 3.126 8.706 -6.597
22 HA ASP 3 HA ASP 3 0.820 6.982 -6.188
23 HB2 ASP 3 2HB ASP 3 1.286 8.196 -8.356
24 HB3 ASP 3 3HB ASP 3 2.728 7.216 -8.569
25 H LEU 4 H LEU 4 1.330 5.324 -4.778
26 HA LEU 4 HA LEU 4 3.762 3.695 -5.173
27 HB2 LEU 4 2HB LEU 4 1.714 3.698 -2.904
28 HB3 LEU 4 3HB LEU 4 3.194 2.747 -2.937
29 HG LEU 4 HG LEU 4 3.046 5.792 -2.826
30 HD11 LEU 4 1HD1 LEU 4 2.360 4.789 -0.712
31 HD12 LEU 4 2HD1 LEU 4 3.925 5.580 -0.545
32 HD13 LEU 4 3HD1 LEU 4 3.835 3.819 -0.658
33 HD21 LEU 4 3HD2 LEU 4 5.014 5.054 -4.074
34 HD22 LEU 4 1HD2 LEU 4 5.481 3.978 -2.752
35 HD23 LEU 4 2HD2 LEU 4 5.481 5.729 -2.517
36 H LYS 5 H LYS 5 3.438 2.099 -6.614
37 HA LYS 5 HA LYS 5 0.865 0.631 -6.711
38 HB2 LYS 5 2HB LYS 5 1.625 1.673 -8.842
39 HB3 LYS 5 3HB LYS 5 3.128 0.759 -8.759
40 HG2 LYS 5 2HG LYS 5 1.883 -1.349 -8.997
41 HG3 LYS 5 3HG LYS 5 0.355 -0.461 -9.009
42 HD2 LYS 5 2HD LYS 5 1.049 0.688 -11.101
43 HD3 LYS 5 3HD LYS 5 2.568 -0.209 -11.086
44 HE2 LYS 5 2HE LYS 5 -0.158 -1.541 -11.244
45 HE3 LYS 5 3HE LYS 5 0.802 -1.111 -12.658
46 HZ1 LYS 5 3HZ LYS 5 1.761 -2.907 -10.500
47 HZ2 LYS 5 1HZ LYS 5 2.509 -2.601 -11.986
48 HZ3 LYS 5 2HZ LYS 5 1.043 -3.448 -11.933
49 H ILE 6 H ILE 6 0.914 -1.183 -5.520
50 HA ILE 6 HA ILE 6 3.499 -2.307 -4.625
51 HB ILE 6 HB ILE 6 0.712 -2.541 -3.393
52 HG12 ILE 6 2HG1 ILE 6 1.498 -0.217 -3.200
53 HG13 ILE 6 3HG1 ILE 6 1.523 -0.982 -1.616
54 HG21 ILE 6 1HG2 ILE 6 2.104 -4.482 -2.866
55 HG22 ILE 6 2HG2 ILE 6 1.858 -3.499 -1.425
56 HG23 ILE 6 3HG2 ILE 6 3.396 -3.426 -2.286
57 HD11 ILE 6 3HD1 ILE 6 3.451 0.410 -1.913
58 HD12 ILE 6 1HD1 ILE 6 3.894 -0.436 -3.394
59 HD13 ILE 6 2HD1 ILE 6 3.965 -1.274 -1.839
60 H ASP 7 H ASP 7 4.021 -4.236 -5.700
61 HA ASP 7 HA ASP 7 2.167 -5.951 -6.981
62 HB2 ASP 7 2HB ASP 7 4.602 -5.971 -7.465
63 HB3 ASP 7 3HB ASP 7 4.927 -6.613 -5.859
64 H VAL 8 H VAL 8 0.708 -7.335 -6.086
65 HA VAL 8 HA VAL 8 1.302 -8.642 -3.503
66 HB VAL 8 HB VAL 8 -1.144 -8.654 -2.918
67 HG11 VAL 8 1HG1 VAL 8 -1.261 -6.348 -2.059
68 HG12 VAL 8 2HG1 VAL 8 0.032 -5.858 -3.157
69 HG13 VAL 8 3HG1 VAL 8 0.363 -7.017 -1.867
70 HG21 VAL 8 3HG2 VAL 8 -1.493 -6.607 -5.149
71 HG22 VAL 8 1HG2 VAL 8 -2.731 -7.081 -3.978
72 HG23 VAL 8 2HG2 VAL 8 -2.128 -8.252 -5.153
73 H SER 9 H SER 9 1.355 -10.752 -3.754
74 HA SER 9 HA SER 9 0.732 -11.997 -6.283
75 HB2 SER 9 2HB SER 9 2.768 -12.558 -4.910
76 HB3 SER 9 3HB SER 9 1.719 -13.301 -3.705
77 HG SER 9 HG SER 9 1.048 -14.780 -5.319
78 H ASP 10 H ASP 10 -0.784 -11.762 -3.144
79 HA ASP 10 HA ASP 10 -2.830 -13.791 -3.853
80 HB2 ASP 10 2HB ASP 10 -2.096 -12.650 -1.118
81 HB3 ASP 10 3HB ASP 10 -3.369 -13.826 -1.407
82 H ASP 11 H ASP 11 -5.012 -13.335 -3.377
83 HA ASP 11 HA ASP 11 -5.888 -10.594 -3.863
84 HB2 ASP 11 2HB ASP 11 -7.031 -12.401 -5.058
85 HB3 ASP 11 3HB ASP 11 -7.413 -13.216 -3.545
86 H GLU 12 H GLU 12 -5.939 -13.036 -1.329
87 HA GLU 12 HA GLU 12 -7.231 -11.731 0.768
88 HB2 GLU 12 2HB GLU 12 -6.547 -14.091 0.887
89 HB3 GLU 12 3HB GLU 12 -4.848 -13.625 0.838
90 HG2 GLU 12 2HG GLU 12 -5.255 -12.364 3.029
91 HG3 GLU 12 3HG GLU 12 -6.830 -13.157 3.096
92 H GLU 13 H GLU 13 -3.905 -11.497 -0.407
93 HA GLU 13 HA GLU 13 -2.715 -10.082 1.685
94 HB2 GLU 13 2HB GLU 13 -1.514 -11.187 -0.272
95 HB3 GLU 13 3HB GLU 13 -1.967 -9.795 -1.248
96 HG2 GLU 13 2HG GLU 13 0.231 -9.303 -0.561
97 HG3 GLU 13 3HG GLU 13 -0.765 -8.365 0.552
98 H ALA 14 H ALA 14 -4.494 -9.036 -1.163
99 HA ALA 14 HA ALA 14 -4.011 -6.309 -1.137
100 HB1 ALA 14 3HB ALA 14 -6.530 -7.768 -2.024
101 HB2 ALA 14 1HB ALA 14 -5.092 -7.480 -3.006
102 HB3 ALA 14 2HB ALA 14 -6.081 -6.119 -2.475
103 H GLU 15 H GLU 15 -6.575 -8.151 0.567
104 HA GLU 15 HA GLU 15 -7.890 -6.028 1.840
105 HB2 GLU 15 2HB GLU 15 -7.416 -8.857 2.889
106 HB3 GLU 15 3HB GLU 15 -8.603 -7.731 3.542
107 HG2 GLU 15 2HG GLU 15 -8.605 -8.973 0.779
108 HG3 GLU 15 3HG GLU 15 -9.694 -9.355 2.114
109 H LYS 16 H LYS 16 -5.069 -7.884 2.801
110 HA LYS 16 HA LYS 16 -4.811 -6.895 5.443
111 HB2 LYS 16 2HB LYS 16 -2.734 -8.216 3.657
112 HB3 LYS 16 3HB LYS 16 -2.638 -8.057 5.409
113 HG2 LYS 16 2HG LYS 16 -4.510 -9.575 5.719
114 HG3 LYS 16 3HG LYS 16 -4.821 -9.613 3.980
115 HD2 LYS 16 2HD LYS 16 -3.663 -11.663 4.658
116 HD3 LYS 16 3HD LYS 16 -2.616 -10.699 3.614
117 HE2 LYS 16 2HE LYS 16 -1.468 -9.831 5.684
118 HE3 LYS 16 3HE LYS 16 -2.448 -10.949 6.636
119 HZ1 LYS 16 3HZ LYS 16 -0.520 -11.701 4.509
120 HZ2 LYS 16 1HZ LYS 16 -1.477 -12.782 5.392
121 HZ3 LYS 16 2HZ LYS 16 -0.288 -11.878 6.178
122 H ILE 17 H ILE 17 -3.600 -5.765 2.320
123 HA ILE 17 HA ILE 17 -1.701 -3.875 3.433
124 HB ILE 17 HB ILE 17 -2.806 -3.949 0.582
125 HG12 ILE 17 2HG1 ILE 17 -1.731 -6.096 1.055
126 HG13 ILE 17 3HG1 ILE 17 -0.700 -5.169 -0.025
127 HG21 ILE 17 1HG2 ILE 17 -0.302 -2.609 1.686
128 HG22 ILE 17 2HG2 ILE 17 -1.764 -1.789 1.132
129 HG23 ILE 17 3HG2 ILE 17 -0.760 -2.672 -0.020
130 HD11 ILE 17 3HD1 ILE 17 0.547 -6.349 1.678
131 HD12 ILE 17 1HD1 ILE 17 -0.305 -5.481 2.947
132 HD13 ILE 17 2HD1 ILE 17 0.760 -4.607 1.836
133 H ILE 18 H ILE 18 -4.903 -3.709 1.862
134 HA ILE 18 HA ILE 18 -5.225 -0.923 1.803
135 HB ILE 18 HB ILE 18 -7.310 -3.149 1.861
136 HG12 ILE 18 2HG1 ILE 18 -6.197 -1.472 -0.433
137 HG13 ILE 18 3HG1 ILE 18 -5.833 -3.158 -0.122
138 HG21 ILE 18 1HG2 ILE 18 -7.803 -0.207 1.270
139 HG22 ILE 18 2HG2 ILE 18 -8.386 -1.091 2.683
140 HG23 ILE 18 3HG2 ILE 18 -8.983 -1.505 1.077
141 HD11 ILE 18 3HD1 ILE 18 -7.370 -2.944 -1.955
142 HD12 ILE 18 1HD1 ILE 18 -8.510 -2.044 -0.956
143 HD13 ILE 18 2HD1 ILE 18 -8.168 -3.741 -0.601
144 H ARG 19 H ARG 19 -6.375 -3.290 4.222
145 HA ARG 19 HA ARG 19 -7.670 -1.466 5.957
146 HB2 ARG 19 2HB ARG 19 -6.529 -4.239 6.474
147 HB3 ARG 19 3HB ARG 19 -7.515 -3.350 7.635
148 HG2 ARG 19 2HG ARG 19 -9.405 -3.344 6.062
149 HG3 ARG 19 3HG ARG 19 -8.431 -4.207 4.865
150 HD2 ARG 19 2HD ARG 19 -9.924 -5.746 6.047
151 HD3 ARG 19 3HD ARG 19 -8.237 -6.122 6.405
152 HE ARG 19 HE ARG 19 -8.801 -4.589 8.486
153 HH11 ARG 19 1HH1 ARG 19 -10.817 -7.136 7.099
154 HH12 ARG 19 2HH1 ARG 19 -11.567 -7.523 8.616
155 HH21 ARG 19 1HH2 ARG 19 -9.739 -5.166 10.465
156 HH22 ARG 19 2HH2 ARG 19 -10.950 -6.404 10.526
157 H GLU 20 H GLU 20 -4.359 -2.741 5.865
158 HA GLU 20 HA GLU 20 -3.371 -1.751 8.297
159 HB2 GLU 20 2HB GLU 20 -2.177 -3.388 6.840
160 HB3 GLU 20 3HB GLU 20 -1.903 -2.122 5.653
161 HG2 GLU 20 2HG GLU 20 0.140 -2.438 6.865
162 HG3 GLU 20 3HG GLU 20 -0.536 -0.889 7.361
163 H ILE 21 H ILE 21 -3.321 -0.321 5.031
164 HA ILE 21 HA ILE 21 -2.044 2.101 5.739
165 HB ILE 21 HB ILE 21 -3.764 1.477 3.297
166 HG12 ILE 21 2HG1 ILE 21 -1.811 -0.025 3.444
167 HG13 ILE 21 3HG1 ILE 21 -1.605 1.097 2.107
168 HG21 ILE 21 1HG2 ILE 21 -1.845 3.794 3.745
169 HG22 ILE 21 2HG2 ILE 21 -3.597 3.900 3.570
170 HG23 ILE 21 3HG2 ILE 21 -2.608 3.391 2.205
171 HD11 ILE 21 3HD1 ILE 21 -0.052 2.423 3.486
172 HD12 ILE 21 1HD1 ILE 21 0.467 0.752 3.277
173 HD13 ILE 21 2HD1 ILE 21 -0.255 1.259 4.801
174 H ARG 22 H ARG 22 -5.483 1.191 5.435
175 HA ARG 22 HA ARG 22 -6.541 3.809 5.528
176 HB2 ARG 22 2HB ARG 22 -7.770 1.075 5.931
177 HB3 ARG 22 3HB ARG 22 -8.732 2.527 6.183
178 HG2 ARG 22 2HG ARG 22 -7.321 1.806 3.594
179 HG3 ARG 22 3HG ARG 22 -9.038 1.561 3.925
180 HD2 ARG 22 2HD ARG 22 -9.264 4.047 4.274
181 HD3 ARG 22 3HD ARG 22 -7.578 4.225 3.768
182 HE ARG 22 HE ARG 22 -8.837 2.791 1.766
183 HH11 ARG 22 1HH1 ARG 22 -9.194 6.018 3.143
184 HH12 ARG 22 2HH1 ARG 22 -9.795 6.698 1.668
185 HH21 ARG 22 1HH2 ARG 22 -9.664 3.707 -0.129
186 HH22 ARG 22 2HH2 ARG 22 -10.059 5.397 -0.176
187 H GLU 23 H GLU 23 -5.747 1.549 8.159
188 HA GLU 23 HA GLU 23 -7.382 2.870 10.124
189 HB2 GLU 23 2HB GLU 23 -5.216 0.758 10.345
190 HB3 GLU 23 3HB GLU 23 -6.026 1.424 11.767
191 HG2 GLU 23 2HG GLU 23 -8.217 0.670 10.836
192 HG3 GLU 23 3HG GLU 23 -7.363 -0.065 9.478
193 H GLN 24 H GLN 24 -3.996 3.150 9.146
194 HA GLN 24 HA GLN 24 -3.429 5.179 11.192
195 HB2 GLN 24 2HB GLN 24 -1.762 3.992 8.931
196 HB3 GLN 24 3HB GLN 24 -1.200 5.339 9.907
197 HG2 GLN 24 2HG GLN 24 -0.190 3.326 10.743
198 HG3 GLN 24 3HG GLN 24 -1.349 3.901 11.936
199 HE21 GLN 24 1HE2 GLN 24 -0.694 1.462 9.538
200 HE22 GLN 24 2HE2 GLN 24 -1.863 0.316 10.077
201 H TRP 25 H TRP 25 -4.296 4.951 7.826
202 HA TRP 25 HA TRP 25 -4.385 7.901 7.516
203 HB2 TRP 25 2HB TRP 25 -3.269 6.031 5.375
204 HB3 TRP 25 3HB TRP 25 -3.354 7.790 5.297
205 HD1 TRP 25 HD1 TRP 25 -1.714 9.110 7.161
206 HE1 TRP 25 HE1 TRP 25 0.592 8.412 8.048
207 HE3 TRP 25 HE3 TRP 25 -1.744 4.174 5.828
208 HZ2 TRP 25 HZ2 TRP 25 2.174 6.112 8.183
209 HZ3 TRP 25 HZ3 TRP 25 0.214 2.784 6.368
210 HH2 TRP 25 HH2 TRP 25 2.145 3.742 7.525
211 HA PRO 26 HA PRO 26 -8.429 6.158 6.026
212 HB2 PRO 26 2HB PRO 26 -10.019 8.150 7.021
213 HB3 PRO 26 3HB PRO 26 -9.419 6.832 8.048
214 HG2 PRO 26 2HG PRO 26 -8.332 9.622 7.762
215 HG3 PRO 26 3HG PRO 26 -8.634 8.684 9.245
216 HD2 PRO 26 2HD PRO 26 -6.143 8.886 8.133
217 HD3 PRO 26 3HD PRO 26 -6.670 7.438 9.020
218 H LYS 27 H LYS 27 -6.894 9.287 5.737
219 HA LYS 27 HA LYS 27 -8.417 10.102 3.383
220 HB2 LYS 27 2HB LYS 27 -6.213 11.535 4.918
221 HB3 LYS 27 3HB LYS 27 -7.261 12.242 3.694
222 HG2 LYS 27 2HG LYS 27 -8.111 11.249 6.432
223 HG3 LYS 27 3HG LYS 27 -7.943 12.931 5.919
224 HD2 LYS 27 2HD LYS 27 -9.747 12.504 4.190
225 HD3 LYS 27 3HD LYS 27 -9.991 10.911 4.918
226 HE2 LYS 27 2HE LYS 27 -11.641 12.492 5.780
227 HE3 LYS 27 3HE LYS 27 -10.546 12.020 7.081
228 HZ1 LYS 27 3HZ LYS 27 -9.331 14.090 6.759
229 HZ2 LYS 27 1HZ LYS 27 -10.965 14.401 7.079
230 HZ3 LYS 27 2HZ LYS 27 -10.369 14.530 5.500
231 H ALA 28 H ALA 28 -6.734 7.794 3.105
232 HA ALA 28 HA ALA 28 -4.471 8.718 1.437
233 HB1 ALA 28 3HB ALA 28 -3.495 6.438 1.805
234 HB2 ALA 28 1HB ALA 28 -4.770 6.094 2.979
235 HB3 ALA 28 2HB ALA 28 -3.594 7.369 3.297
236 H THR 29 H THR 29 -5.264 8.539 -0.725
237 HA THR 29 HA THR 29 -7.717 7.174 -1.211
238 HB THR 29 HB THR 29 -5.722 8.361 -3.190
239 HG1 THR 29 HG1 THR 29 -6.683 9.789 -1.511
240 HG21 THR 29 3HG2 THR 29 -8.683 7.714 -3.550
241 HG22 THR 29 1HG2 THR 29 -7.341 6.850 -4.314
242 HG23 THR 29 2HG2 THR 29 -7.660 8.533 -4.730
243 H VAL 30 H VAL 30 -7.654 5.011 -1.020
244 HA VAL 30 HA VAL 30 -5.478 3.421 -2.199
245 HB VAL 30 HB VAL 30 -7.735 2.453 -0.376
246 HG11 VAL 30 1HG1 VAL 30 -6.326 0.435 -0.099
247 HG12 VAL 30 2HG1 VAL 30 -5.151 1.097 -1.236
248 HG13 VAL 30 3HG1 VAL 30 -6.773 0.678 -1.790
249 HG21 VAL 30 3HG2 VAL 30 -6.305 4.046 0.856
250 HG22 VAL 30 1HG2 VAL 30 -4.868 3.131 0.396
251 HG23 VAL 30 2HG2 VAL 30 -6.076 2.405 1.460
252 H THR 31 H THR 31 -5.858 2.057 -3.844
253 HA THR 31 HA THR 31 -8.551 1.680 -4.977
254 HB THR 31 HB THR 31 -6.101 2.572 -6.586
255 HG1 THR 31 HG1 THR 31 -8.127 3.990 -5.380
256 HG21 THR 31 3HG2 THR 31 -7.646 2.728 -8.511
257 HG22 THR 31 1HG2 THR 31 -8.963 2.109 -7.516
258 HG23 THR 31 2HG2 THR 31 -7.583 1.074 -7.894
259 H ARG 32 H ARG 32 -8.795 -0.430 -5.583
260 HA ARG 32 HA ARG 32 -6.455 -2.215 -5.537
261 HB2 ARG 32 2HB ARG 32 -8.479 -2.850 -4.241
262 HB3 ARG 32 3HB ARG 32 -9.423 -2.883 -5.728
263 HG2 ARG 32 2HG ARG 32 -7.917 -4.717 -6.577
264 HG3 ARG 32 3HG ARG 32 -7.096 -4.717 -5.013
265 HD2 ARG 32 2HD ARG 32 -10.045 -5.307 -5.455
266 HD3 ARG 32 3HD ARG 32 -8.796 -6.522 -5.195
267 HE ARG 32 HE ARG 32 -8.633 -5.882 -2.936
268 HH11 ARG 32 1HH1 ARG 32 -11.192 -4.064 -4.553
269 HH12 ARG 32 2HH1 ARG 32 -11.946 -3.584 -3.066
270 HH21 ARG 32 1HH2 ARG 32 -9.647 -5.259 -1.032
271 HH22 ARG 32 2HH2 ARG 32 -11.065 -4.260 -1.081
272 H THR 33 H THR 33 -5.702 -3.186 -7.288
273 HA THR 33 HA THR 33 -7.127 -3.173 -9.875
274 HB THR 33 HB THR 33 -4.864 -2.820 -11.001
275 HG1 THR 33 HG1 THR 33 -3.840 -3.168 -8.689
276 HG21 THR 33 3HG2 THR 33 -5.729 -0.467 -9.273
277 HG22 THR 33 1HG2 THR 33 -6.382 -0.873 -10.862
278 HG23 THR 33 2HG2 THR 33 -4.698 -0.354 -10.703
279 H ASN 34 H ASN 34 -6.917 -5.358 -10.780
280 HA ASN 34 HA ASN 34 -6.327 -7.363 -8.896
281 HB2 ASN 34 2HB ASN 34 -6.688 -8.980 -10.771
282 HB3 ASN 34 3HB ASN 34 -7.973 -7.791 -10.611
283 HD21 ASN 34 1HD2 ASN 34 -7.074 -9.460 -12.919
284 HD22 ASN 34 2HD2 ASN 34 -6.825 -8.337 -14.210
285 H GLY 35 H GLY 35 -4.347 -7.633 -8.112
286 HA2 GLY 35 2HA GLY 35 -2.296 -8.942 -8.463
287 HA3 GLY 35 3HA GLY 35 -2.040 -8.031 -9.939
288 H ASP 36 H ASP 36 -3.073 -5.575 -8.259
289 HA ASP 36 HA ASP 36 -0.658 -5.045 -6.668
290 HB2 ASP 36 2HB ASP 36 -1.456 -3.493 -9.168
291 HB3 ASP 36 3HB ASP 36 -0.534 -2.709 -7.892
292 H ILE 37 H ILE 37 -0.883 -3.442 -5.120
293 HA ILE 37 HA ILE 37 -3.512 -2.215 -4.677
294 HB ILE 37 HB ILE 37 -1.043 -2.316 -2.877
295 HG12 ILE 37 2HG1 ILE 37 -2.216 -4.482 -3.077
296 HG13 ILE 37 3HG1 ILE 37 -2.453 -3.813 -1.466
297 HG21 ILE 37 1HG2 ILE 37 -2.459 -1.308 -1.104
298 HG22 ILE 37 2HG2 ILE 37 -3.766 -1.081 -2.268
299 HG23 ILE 37 3HG2 ILE 37 -2.245 -0.205 -2.464
300 HD11 ILE 37 3HD1 ILE 37 -4.698 -3.059 -2.123
301 HD12 ILE 37 1HD1 ILE 37 -4.474 -4.791 -2.325
302 HD13 ILE 37 2HD1 ILE 37 -4.441 -3.744 -3.733
303 H LYS 38 H LYS 38 -3.781 -0.449 -5.774
304 HA LYS 38 HA LYS 38 -1.632 1.370 -6.491
305 HB2 LYS 38 2HB LYS 38 -3.613 0.579 -8.006
306 HB3 LYS 38 3HB LYS 38 -4.609 1.682 -7.067
307 HG2 LYS 38 2HG LYS 38 -3.985 2.827 -9.054
308 HG3 LYS 38 3HG LYS 38 -3.028 3.534 -7.744
309 HD2 LYS 38 2HD LYS 38 -1.072 2.159 -8.413
310 HD3 LYS 38 3HD LYS 38 -2.037 1.401 -9.686
311 HE2 LYS 38 2HE LYS 38 -1.257 4.317 -9.516
312 HE3 LYS 38 3HE LYS 38 -0.617 3.127 -10.642
313 HZ1 LYS 38 3HZ LYS 38 -3.392 4.173 -10.539
314 HZ2 LYS 38 1HZ LYS 38 -2.884 2.922 -11.556
315 HZ3 LYS 38 2HZ LYS 38 -2.238 4.475 -11.738
316 H LEU 39 H LEU 39 -1.066 2.756 -4.882
317 HA LEU 39 HA LEU 39 -3.084 3.796 -2.978
318 HB2 LEU 39 2HB LEU 39 -1.626 2.176 -1.874
319 HB3 LEU 39 3HB LEU 39 -0.189 2.967 -2.502
320 HG LEU 39 HG LEU 39 -0.629 4.950 -1.068
321 HD11 LEU 39 1HD1 LEU 39 -2.374 4.942 0.639
322 HD12 LEU 39 2HD1 LEU 39 -3.011 3.421 0.006
323 HD13 LEU 39 3HD1 LEU 39 -3.061 4.885 -0.983
324 HD21 LEU 39 3HD2 LEU 39 0.792 3.187 -0.189
325 HD22 LEU 39 1HD2 LEU 39 -0.613 2.347 0.477
326 HD23 LEU 39 2HD2 LEU 39 -0.143 3.928 1.108
327 H ASP 40 H ASP 40 -3.000 5.940 -2.520
328 HA ASP 40 HA ASP 40 -1.034 7.653 -3.927
329 HB2 ASP 40 2HB ASP 40 -3.217 7.939 -4.957
330 HB3 ASP 40 3HB ASP 40 -3.987 8.094 -3.383
331 H ALA 41 H ALA 41 0.350 8.113 -2.388
332 HA ALA 41 HA ALA 41 -0.348 8.695 0.370
333 HB1 ALA 41 3HB ALA 41 2.101 8.979 0.663
334 HB2 ALA 41 1HB ALA 41 2.324 8.787 -1.078
335 HB3 ALA 41 2HB ALA 41 1.701 7.446 -0.117
336 H GLN 42 H GLN 42 -0.358 10.702 1.313
337 HA GLN 42 HA GLN 42 -1.074 12.923 -0.263
338 HB2 GLN 42 2HB GLN 42 -0.275 12.840 2.679
339 HB3 GLN 42 3HB GLN 42 -0.973 14.246 1.882
340 HG2 GLN 42 2HG GLN 42 -2.786 13.244 3.019
341 HG3 GLN 42 3HG GLN 42 -3.003 12.765 1.340
342 HE21 GLN 42 1HE2 GLN 42 -2.099 11.664 4.536
343 HE22 GLN 42 2HE2 GLN 42 -2.280 9.974 4.231
344 H THR 43 H THR 43 1.875 12.426 1.706
345 HA THR 43 HA THR 43 3.401 14.120 -0.156
346 HB THR 43 HB THR 43 2.841 15.467 1.894
347 HG1 THR 43 HG1 THR 43 4.639 16.208 0.989
348 HG21 THR 43 3HG2 THR 43 3.973 14.995 4.030
349 HG22 THR 43 1HG2 THR 43 4.612 13.487 3.371
350 HG23 THR 43 2HG2 THR 43 2.872 13.681 3.603
351 H GLU 44 H GLU 44 5.852 13.838 0.337
352 HA GLU 44 HA GLU 44 6.542 11.138 -0.206
353 HB2 GLU 44 2HB GLU 44 8.287 13.541 0.486
354 HB3 GLU 44 3HB GLU 44 8.901 12.018 -0.151
355 HG2 GLU 44 2HG GLU 44 7.877 12.363 -2.274
356 HG3 GLU 44 3HG GLU 44 6.845 13.652 -1.652
357 H LYS 45 H LYS 45 6.889 13.210 2.651
358 HA LYS 45 HA LYS 45 8.288 11.412 4.326
359 HB2 LYS 45 2HB LYS 45 8.098 13.894 4.703
360 HB3 LYS 45 3HB LYS 45 6.406 13.681 5.118
361 HG2 LYS 45 2HG LYS 45 7.656 13.963 7.148
362 HG3 LYS 45 3HG LYS 45 7.098 12.295 7.084
363 HD2 LYS 45 2HD LYS 45 9.870 12.846 6.027
364 HD3 LYS 45 3HD LYS 45 9.642 12.982 7.766
365 HE2 LYS 45 2HE LYS 45 8.925 10.670 7.915
366 HE3 LYS 45 3HE LYS 45 8.915 10.511 6.157
367 HZ1 LYS 45 3HZ LYS 45 10.895 9.550 7.196
368 HZ2 LYS 45 1HZ LYS 45 11.332 11.069 7.787
369 HZ3 LYS 45 2HZ LYS 45 11.286 10.790 6.116
370 H GLU 46 H GLU 46 4.949 11.652 3.417
371 HA GLU 46 HA GLU 46 3.870 10.056 5.580
372 HB2 GLU 46 2HB GLU 46 2.622 11.939 4.323
373 HB3 GLU 46 3HB GLU 46 2.509 10.835 2.960
374 HG2 GLU 46 2HG GLU 46 0.430 10.714 4.118
375 HG3 GLU 46 3HG GLU 46 1.292 9.221 4.493
376 H ALA 47 H ALA 47 4.759 9.784 2.183
377 HA ALA 47 HA ALA 47 3.888 7.204 1.576
378 HB1 ALA 47 3HB ALA 47 5.387 7.359 -0.348
379 HB2 ALA 47 1HB ALA 47 6.236 8.721 0.392
380 HB3 ALA 47 2HB ALA 47 4.547 8.889 -0.096
381 H GLU 48 H GLU 48 6.877 8.321 3.102
382 HA GLU 48 HA GLU 48 8.410 5.963 2.961
383 HB2 GLU 48 2HB GLU 48 8.446 8.242 4.973
384 HB3 GLU 48 3HB GLU 48 9.648 6.949 4.960
385 HG2 GLU 48 2HG GLU 48 10.340 7.583 2.691
386 HG3 GLU 48 3HG GLU 48 9.106 8.843 2.656
387 H LYS 49 H LYS 49 5.917 6.964 5.210
388 HA LYS 49 HA LYS 49 6.231 4.753 7.039
389 HB2 LYS 49 2HB LYS 49 3.871 6.633 6.655
390 HB3 LYS 49 3HB LYS 49 4.191 5.632 8.070
391 HG2 LYS 49 2HG LYS 49 6.162 6.981 8.613
392 HG3 LYS 49 3HG LYS 49 5.933 7.947 7.148
393 HD2 LYS 49 2HD LYS 49 3.700 8.678 8.031
394 HD3 LYS 49 3HD LYS 49 4.023 7.778 9.518
395 HE2 LYS 49 2HE LYS 49 5.680 10.102 8.475
396 HE3 LYS 49 3HE LYS 49 4.484 10.197 9.769
397 HZ1 LYS 49 3HZ LYS 49 6.706 10.018 10.672
398 HZ2 LYS 49 1HZ LYS 49 6.977 8.580 9.818
399 HZ3 LYS 49 2HZ LYS 49 5.823 8.628 11.053
400 H MET 50 H MET 50 3.854 5.706 4.641
401 HA MET 50 HA MET 50 2.118 3.557 4.575
402 HB2 MET 50 2HB MET 50 2.982 5.263 2.224
403 HB3 MET 50 3HB MET 50 1.657 4.106 2.139
404 HG2 MET 50 2HG MET 50 0.560 5.343 4.034
405 HG3 MET 50 3HG MET 50 1.815 6.580 3.867
406 HE1 MET 50 3HE MET 50 -1.330 8.290 2.315
407 HE2 MET 50 1HE MET 50 -0.100 8.364 3.572
408 HE3 MET 50 2HE MET 50 -1.362 7.133 3.644
409 H GLU 51 H GLU 51 4.923 3.768 2.315
410 HA GLU 51 HA GLU 51 4.854 1.196 1.273
411 HB2 GLU 51 2HB GLU 51 7.132 1.550 0.570
412 HB3 GLU 51 3HB GLU 51 6.308 3.098 0.488
413 HG2 GLU 51 2HG GLU 51 7.362 3.800 2.575
414 HG3 GLU 51 3HG GLU 51 8.135 2.233 2.753
415 H LYS 52 H LYS 52 6.118 2.272 4.355
416 HA LYS 52 HA LYS 52 7.628 -0.063 5.052
417 HB2 LYS 52 2HB LYS 52 7.942 2.313 5.970
418 HB3 LYS 52 3HB LYS 52 6.504 2.049 6.938
419 HG2 LYS 52 2HG LYS 52 8.326 1.651 8.392
420 HG3 LYS 52 3HG LYS 52 7.705 0.055 7.974
421 HD2 LYS 52 2HD LYS 52 10.089 -0.084 7.909
422 HD3 LYS 52 3HD LYS 52 9.542 -0.106 6.234
423 HE2 LYS 52 2HE LYS 52 10.594 2.374 7.654
424 HE3 LYS 52 3HE LYS 52 11.579 1.311 6.655
425 HZ1 LYS 52 3HZ LYS 52 9.328 3.034 5.769
426 HZ2 LYS 52 1HZ LYS 52 10.003 1.825 4.796
427 HZ3 LYS 52 2HZ LYS 52 10.954 3.116 5.318
428 H ALA 53 H ALA 53 4.382 1.141 5.684
429 HA ALA 53 HA ALA 53 3.479 -0.866 7.468
430 HB1 ALA 53 3HB ALA 53 1.875 0.984 5.672
431 HB2 ALA 53 1HB ALA 53 2.406 1.342 7.317
432 HB3 ALA 53 2HB ALA 53 1.231 0.056 7.030
433 H VAL 54 H VAL 54 3.522 -0.619 3.927
434 HA VAL 54 HA VAL 54 2.086 -2.974 3.357
435 HB VAL 54 HB VAL 54 4.355 -1.632 1.819
436 HG11 VAL 54 1HG1 VAL 54 3.587 -2.892 -0.157
437 HG12 VAL 54 2HG1 VAL 54 2.407 -3.745 0.837
438 HG13 VAL 54 3HG1 VAL 54 4.133 -3.984 1.118
439 HG21 VAL 54 3HG2 VAL 54 2.546 -0.653 0.428
440 HG22 VAL 54 1HG2 VAL 54 2.398 -0.163 2.119
441 HG23 VAL 54 2HG2 VAL 54 1.339 -1.415 1.467
442 H LYS 55 H LYS 55 5.639 -2.458 3.689
443 HA LYS 55 HA LYS 55 6.336 -5.137 3.184
444 HB2 LYS 55 2HB LYS 55 7.947 -2.891 4.414
445 HB3 LYS 55 3HB LYS 55 8.626 -4.498 4.165
446 HG2 LYS 55 2HG LYS 55 8.032 -4.261 1.703
447 HG3 LYS 55 3HG LYS 55 7.648 -2.564 2.035
448 HD2 LYS 55 2HD LYS 55 9.960 -2.195 2.837
449 HD3 LYS 55 3HD LYS 55 10.339 -3.896 2.557
450 HE2 LYS 55 2HE LYS 55 9.608 -1.866 0.423
451 HE3 LYS 55 3HE LYS 55 11.228 -2.470 0.764
452 HZ1 LYS 55 3HZ LYS 55 10.424 -4.708 0.192
453 HZ2 LYS 55 1HZ LYS 55 10.333 -3.627 -1.105
454 HZ3 LYS 55 2HZ LYS 55 8.933 -4.049 -0.257
455 H LYS 56 H LYS 56 5.310 -3.710 6.210
456 HA LYS 56 HA LYS 56 6.403 -5.784 7.902
457 HB2 LYS 56 2HB LYS 56 5.007 -4.869 9.684
458 HB3 LYS 56 3HB LYS 56 5.813 -3.562 8.823
459 HG2 LYS 56 2HG LYS 56 3.725 -3.134 7.559
460 HG3 LYS 56 3HG LYS 56 2.906 -4.389 8.489
461 HD2 LYS 56 2HD LYS 56 4.185 -1.916 9.719
462 HD3 LYS 56 3HD LYS 56 2.486 -2.017 9.261
463 HE2 LYS 56 2HE LYS 56 3.833 -3.831 11.297
464 HE3 LYS 56 3HE LYS 56 2.848 -2.419 11.687
465 HZ1 LYS 56 3HZ LYS 56 1.928 -4.859 10.271
466 HZ2 LYS 56 1HZ LYS 56 0.982 -3.479 10.528
467 HZ3 LYS 56 2HZ LYS 56 1.525 -4.390 11.845
468 H VAL 57 H VAL 57 3.639 -5.499 5.875
469 HA VAL 57 HA VAL 57 2.200 -7.806 6.949
470 HB VAL 57 HB VAL 57 1.663 -6.173 4.409
471 HG11 VAL 57 1HG1 VAL 57 -0.636 -7.071 4.551
472 HG12 VAL 57 2HG1 VAL 57 -0.172 -8.046 5.948
473 HG13 VAL 57 3HG1 VAL 57 0.552 -8.367 4.370
474 HG21 VAL 57 3HG2 VAL 57 0.427 -5.794 7.162
475 HG22 VAL 57 1HG2 VAL 57 -0.015 -4.914 5.697
476 HG23 VAL 57 2HG2 VAL 57 1.593 -4.711 6.400
477 H LYS 58 H LYS 58 4.583 -7.058 4.530
478 HA LYS 58 HA LYS 58 4.782 -9.740 3.540
479 HB2 LYS 58 2HB LYS 58 4.322 -9.209 1.138
480 HB3 LYS 58 3HB LYS 58 2.903 -9.156 2.176
481 HG2 LYS 58 2HG LYS 58 3.026 -6.681 2.216
482 HG3 LYS 58 3HG LYS 58 4.429 -6.741 1.160
483 HD2 LYS 58 2HD LYS 58 1.609 -7.629 0.470
484 HD3 LYS 58 3HD LYS 58 2.419 -6.179 -0.109
485 HE2 LYS 58 2HE LYS 58 2.518 -7.700 -1.909
486 HE3 LYS 58 3HE LYS 58 4.131 -7.753 -1.202
487 HZ1 LYS 58 3HZ LYS 58 3.123 -9.940 -1.807
488 HZ2 LYS 58 1HZ LYS 58 2.013 -9.729 -0.556
489 HZ3 LYS 58 2HZ LYS 58 3.665 -9.838 -0.216
490 HA PRO 59 HA PRO 59 8.820 -7.725 3.762
491 HB2 PRO 59 2HB PRO 59 10.420 -9.947 3.458
492 HB3 PRO 59 3HB PRO 59 9.509 -9.620 4.947
493 HG2 PRO 59 2HG PRO 59 8.785 -11.453 2.674
494 HG3 PRO 59 3HG PRO 59 8.703 -11.750 4.427
495 HD2 PRO 59 2HD PRO 59 6.501 -11.060 2.984
496 HD3 PRO 59 3HD PRO 59 6.708 -10.560 4.677
497 H ASN 60 H ASN 60 8.061 -9.894 1.062
498 HA ASN 60 HA ASN 60 10.280 -8.915 -0.595
499 HB2 ASN 60 2HB ASN 60 8.217 -11.123 -1.029
500 HB3 ASN 60 3HB ASN 60 9.473 -10.714 -2.194
501 HD21 ASN 60 1HD2 ASN 60 11.627 -11.273 -1.739
502 HD22 ASN 60 2HD2 ASN 60 12.027 -12.407 -0.497
503 H ALA 61 H ALA 61 7.647 -7.357 0.051
504 HA ALA 61 HA ALA 61 6.108 -7.011 -2.263
505 HB1 ALA 61 3HB ALA 61 6.762 -4.913 -0.154
506 HB2 ALA 61 1HB ALA 61 5.487 -6.124 -0.046
507 HB3 ALA 61 2HB ALA 61 5.402 -4.876 -1.281
508 H THR 62 H THR 62 6.881 -6.493 -4.252
509 HA THR 62 HA THR 62 9.084 -4.672 -4.694
510 HB THR 62 HB THR 62 7.089 -5.791 -6.720
511 HG1 THR 62 HG1 THR 62 9.694 -6.757 -6.071
512 HG21 THR 62 3HG2 THR 62 8.840 -5.301 -8.391
513 HG22 THR 62 1HG2 THR 62 9.859 -4.597 -7.138
514 HG23 THR 62 2HG2 THR 62 8.333 -3.821 -7.575
515 H ILE 63 H ILE 63 8.664 -2.609 -4.066
516 HA ILE 63 HA ILE 63 6.055 -1.362 -4.481
517 HB ILE 63 HB ILE 63 8.561 -0.388 -3.022
518 HG12 ILE 63 2HG1 ILE 63 5.934 -1.458 -1.905
519 HG13 ILE 63 3HG1 ILE 63 7.445 -2.356 -1.963
520 HG21 ILE 63 1HG2 ILE 63 5.803 0.895 -3.051
521 HG22 ILE 63 2HG2 ILE 63 7.246 1.540 -3.834
522 HG23 ILE 63 3HG2 ILE 63 7.178 1.420 -2.075
523 HD11 ILE 63 3HD1 ILE 63 7.103 -1.588 0.239
524 HD12 ILE 63 1HD1 ILE 63 6.797 0.060 -0.300
525 HD13 ILE 63 2HD1 ILE 63 8.416 -0.630 -0.443
526 H ARG 64 H ARG 64 5.717 -0.336 -6.340
527 HA ARG 64 HA ARG 64 7.925 0.870 -7.882
528 HB2 ARG 64 2HB ARG 64 4.968 0.514 -8.578
529 HB3 ARG 64 3HB ARG 64 6.166 1.259 -9.635
530 HG2 ARG 64 2HG ARG 64 6.159 -1.621 -8.679
531 HG3 ARG 64 3HG ARG 64 5.762 -1.059 -10.305
532 HD2 ARG 64 2HD ARG 64 8.065 -0.293 -10.638
533 HD3 ARG 64 3HD ARG 64 8.477 -0.720 -8.973
534 HE ARG 64 HE ARG 64 7.534 -3.037 -10.174
535 HH11 ARG 64 1HH1 ARG 64 10.252 -0.831 -10.660
536 HH12 ARG 64 2HH1 ARG 64 11.287 -2.070 -11.303
537 HH21 ARG 64 1HH2 ARG 64 8.932 -4.646 -10.975
538 HH22 ARG 64 2HH2 ARG 64 10.539 -4.220 -11.479
539 H LYS 65 H LYS 65 8.480 2.678 -6.911
540 HA LYS 65 HA LYS 65 6.525 4.439 -5.619
541 HB2 LYS 65 2HB LYS 65 8.546 3.643 -4.394
542 HB3 LYS 65 3HB LYS 65 9.573 4.434 -5.585
543 HG2 LYS 65 2HG LYS 65 8.678 6.643 -4.893
544 HG3 LYS 65 3HG LYS 65 7.628 5.846 -3.716
545 HD2 LYS 65 2HD LYS 65 10.675 5.887 -3.697
546 HD3 LYS 65 3HD LYS 65 9.605 6.720 -2.567
547 HE2 LYS 65 2HE LYS 65 8.771 4.500 -1.774
548 HE3 LYS 65 3HE LYS 65 9.898 3.711 -2.873
549 HZ1 LYS 65 3HZ LYS 65 11.709 4.839 -1.663
550 HZ2 LYS 65 1HZ LYS 65 10.829 3.752 -0.713
551 HZ3 LYS 65 2HZ LYS 65 10.572 5.410 -0.548
552 H THR 66 H THR 66 5.649 5.785 -7.094
553 HA THR 66 HA THR 66 7.429 7.320 -8.905
554 HB THR 66 HB THR 66 4.427 6.841 -9.183
555 HG1 THR 66 HG1 THR 66 5.750 4.975 -9.626
556 HG21 THR 66 3HG2 THR 66 6.373 8.155 -11.126
557 HG22 THR 66 1HG2 THR 66 5.149 9.013 -10.180
558 HG23 THR 66 2HG2 THR 66 4.661 7.858 -11.422
559 H GLY 67 H GLY 67 7.706 9.365 -8.289
560 HA2 GLY 67 2HA GLY 67 5.448 10.838 -7.011
561 HA3 GLY 67 3HA GLY 67 7.153 11.223 -6.777
562 H GLY 68 H GLY 68 5.534 13.215 -7.635
563 HA2 GLY 68 2HA GLY 68 5.660 13.688 -10.444
564 HA3 GLY 68 3HA GLY 68 5.555 14.917 -9.186
565 H SER 69 H SER 69 7.615 15.119 -7.839
566 HA SER 69 HA SER 69 9.796 15.481 -7.471
567 HB2 SER 69 2HB SER 69 9.863 12.993 -7.855
568 HB3 SER 69 3HB SER 69 10.322 13.297 -9.531
569 HG SER 69 HG SER 69 11.753 14.021 -7.175
570 H LEU 70 H LEU 70 8.405 16.821 -9.872
571 HA LEU 70 HA LEU 70 10.500 17.296 -11.817
572 HB2 LEU 70 2HB LEU 70 7.835 17.223 -12.093
573 HB3 LEU 70 3HB LEU 70 7.948 18.921 -11.687
574 HG LEU 70 HG LEU 70 9.238 17.571 -14.103
575 HD11 LEU 70 1HD1 LEU 70 6.812 17.747 -14.323
576 HD12 LEU 70 2HD1 LEU 70 7.626 18.836 -15.443
577 HD13 LEU 70 3HD1 LEU 70 6.879 19.479 -13.976
578 HD21 LEU 70 3HD2 LEU 70 10.629 19.449 -13.345
579 HD22 LEU 70 1HD2 LEU 70 9.231 20.525 -13.395
580 HD23 LEU 70 2HD2 LEU 70 9.856 19.811 -14.884
581 H GLU 71 H GLU 71 12.054 18.093 -10.236
582 HA GLU 71 HA GLU 71 11.601 20.804 -9.149
583 HB2 GLU 71 2HB GLU 71 13.796 18.794 -8.482
584 HB3 GLU 71 3HB GLU 71 13.545 20.354 -7.699
585 HG2 GLU 71 2HG GLU 71 11.296 19.534 -6.915
586 HG3 GLU 71 3HG GLU 71 11.691 17.953 -7.588
587 H HIS 72 H HIS 72 11.844 20.984 -11.748
588 HA HIS 72 HA HIS 72 14.551 21.693 -12.545
589 HB2 HIS 72 2HB HIS 72 12.783 21.028 -14.222
590 HB3 HIS 72 3HB HIS 72 11.872 22.479 -13.826
591 HD1 HIS 72 HD1 HIS 72 12.790 24.733 -14.742
592 HD2 HIS 72 HD2 HIS 72 15.037 21.429 -15.866
593 HE1 HIS 72 HE1 HIS 72 14.367 25.560 -16.503
594 HE2 HIS 72 HE2 HIS 72 15.803 23.576 -17.051
595 H HIS 73 H HIS 73 15.149 24.042 -12.983
596 HA HIS 73 HA HIS 73 14.526 25.804 -10.867
597 HB2 HIS 73 2HB HIS 73 16.639 26.002 -12.170
598 HB3 HIS 73 3HB HIS 73 15.724 26.496 -13.592
599 HD1 HIS 73 HD1 HIS 73 16.660 27.713 -10.133
600 HD2 HIS 73 HD2 HIS 73 15.107 29.224 -13.676
601 HE1 HIS 73 HE1 HIS 73 16.554 30.196 -9.826
602 HE2 HIS 73 HE2 HIS 73 15.865 31.089 -12.067
603 H HIS 74 H HIS 74 12.535 26.543 -10.561
604 HA HIS 74 HA HIS 74 10.444 26.789 -12.359
605 HB2 HIS 74 2HB HIS 74 9.256 28.030 -10.616
606 HB3 HIS 74 3HB HIS 74 10.149 26.699 -9.900
607 HD1 HIS 74 HD1 HIS 74 9.314 29.967 -9.071
608 HD2 HIS 74 HD2 HIS 74 12.914 27.899 -9.007
609 HE1 HIS 74 HE1 HIS 74 10.804 31.237 -7.515
610 HE2 HIS 74 HE2 HIS 74 12.993 30.021 -7.565
611 H HIS 75 H HIS 75 9.692 28.383 -13.641
612 HA HIS 75 HA HIS 75 10.872 31.043 -13.753
613 HB2 HIS 75 2HB HIS 75 11.528 30.854 -16.120
614 HB3 HIS 75 3HB HIS 75 12.369 29.612 -15.194
615 HD1 HIS 75 HD1 HIS 75 9.918 30.083 -17.953
616 HD2 HIS 75 HD2 HIS 75 11.462 26.932 -15.717
617 HE1 HIS 75 HE1 HIS 75 9.214 27.997 -19.149
618 HE2 HIS 75 HE2 HIS 75 10.298 26.118 -17.872
619 H HIS 76 H HIS 76 9.709 32.337 -15.501
620 HA HIS 76 HA HIS 76 6.864 31.945 -15.323
621 HB2 HIS 76 2HB HIS 76 6.686 34.063 -16.584
622 HB3 HIS 76 3HB HIS 76 7.766 34.210 -15.213
623 HD1 HIS 76 HD1 HIS 76 10.415 34.172 -15.849
624 HD2 HIS 76 HD2 HIS 76 7.755 34.933 -18.954
625 HE1 HIS 76 HE1 HIS 76 11.784 35.171 -17.693
626 HE2 HIS 76 HE2 HIS 76 10.118 35.820 -19.450
627 H HIS 77 H HIS 77 6.175 30.200 -16.412
628 HA HIS 77 HA HIS 77 6.906 29.628 -19.163
629 HB2 HIS 77 2HB HIS 77 6.496 27.705 -17.740
630 HB3 HIS 77 3HB HIS 77 4.918 28.319 -17.258
631 HD1 HIS 77 HD1 HIS 77 2.952 27.688 -18.684
632 HD2 HIS 77 HD2 HIS 77 6.567 26.744 -20.496
633 HE1 HIS 77 HE1 HIS 77 2.356 26.394 -20.745
634 HE2 HIS 77 HE2 HIS 77 4.562 25.783 -21.789
Start of MODEL 14
1 H1 MET 1 1H MET 1 -0.276 11.656 -3.906
2 H2 MET 1 2H MET 1 -0.569 13.314 -3.792
3 H3 MET 1 3H MET 1 0.892 12.681 -3.231
4 HA MET 1 HA MET 1 -0.043 12.643 -6.034
5 HB2 MET 1 2HB MET 1 1.494 14.437 -6.497
6 HB3 MET 1 3HB MET 1 0.482 14.928 -5.149
7 HG2 MET 1 2HG MET 1 3.342 13.978 -4.992
8 HG3 MET 1 3HG MET 1 2.766 15.632 -4.797
9 HE1 MET 1 3HE MET 1 4.027 14.635 -1.208
10 HE2 MET 1 1HE MET 1 4.196 15.782 -2.536
11 HE3 MET 1 2HE MET 1 4.715 14.108 -2.741
12 H VAL 2 H VAL 2 1.960 11.223 -3.657
13 HA VAL 2 HA VAL 2 3.957 10.166 -5.527
14 HB VAL 2 HB VAL 2 3.533 9.408 -2.583
15 HG11 VAL 2 1HG1 VAL 2 5.947 8.990 -4.396
16 HG12 VAL 2 2HG1 VAL 2 4.830 7.739 -3.847
17 HG13 VAL 2 3HG1 VAL 2 5.854 8.575 -2.681
18 HG21 VAL 2 3HG2 VAL 2 5.428 11.497 -3.717
19 HG22 VAL 2 1HG2 VAL 2 5.353 10.970 -2.032
20 HG23 VAL 2 2HG2 VAL 2 3.984 11.815 -2.754
21 H ASP 3 H ASP 3 3.315 8.512 -6.801
22 HA ASP 3 HA ASP 3 1.103 6.732 -6.068
23 HB2 ASP 3 2HB ASP 3 2.711 6.825 -8.667
24 HB3 ASP 3 3HB ASP 3 1.243 5.895 -8.390
25 H LEU 4 H LEU 4 1.624 5.012 -4.896
26 HA LEU 4 HA LEU 4 4.132 3.509 -5.374
27 HB2 LEU 4 2HB LEU 4 2.233 3.371 -2.982
28 HB3 LEU 4 3HB LEU 4 3.752 2.503 -3.142
29 HG LEU 4 HG LEU 4 3.472 5.526 -2.904
30 HD11 LEU 4 1HD1 LEU 4 4.441 5.272 -0.661
31 HD12 LEU 4 2HD1 LEU 4 4.430 3.516 -0.841
32 HD13 LEU 4 3HD1 LEU 4 2.909 4.411 -0.802
33 HD21 LEU 4 3HD2 LEU 4 5.992 3.834 -2.976
34 HD22 LEU 4 1HD2 LEU 4 5.919 5.572 -2.671
35 HD23 LEU 4 2HD2 LEU 4 5.435 4.933 -4.239
36 H LYS 5 H LYS 5 3.727 1.944 -6.856
37 HA LYS 5 HA LYS 5 1.131 0.544 -6.903
38 HB2 LYS 5 2HB LYS 5 2.291 1.304 -9.076
39 HB3 LYS 5 3HB LYS 5 3.483 0.041 -8.789
40 HG2 LYS 5 2HG LYS 5 1.575 -1.637 -8.768
41 HG3 LYS 5 3HG LYS 5 0.501 -0.325 -9.254
42 HD2 LYS 5 2HD LYS 5 1.075 -1.535 -11.245
43 HD3 LYS 5 3HD LYS 5 1.958 -0.009 -11.306
44 HE2 LYS 5 2HE LYS 5 3.374 -1.892 -12.019
45 HE3 LYS 5 3HE LYS 5 4.007 -1.157 -10.545
46 HZ1 LYS 5 3HZ LYS 5 2.380 -3.650 -10.685
47 HZ2 LYS 5 1HZ LYS 5 3.000 -2.968 -9.270
48 HZ3 LYS 5 2HZ LYS 5 4.050 -3.585 -10.438
49 H ILE 6 H ILE 6 0.937 -1.189 -5.658
50 HA ILE 6 HA ILE 6 3.334 -2.480 -4.531
51 HB ILE 6 HB ILE 6 0.426 -2.642 -3.590
52 HG12 ILE 6 2HG1 ILE 6 1.216 -0.326 -3.341
53 HG13 ILE 6 3HG1 ILE 6 1.065 -1.071 -1.760
54 HG21 ILE 6 1HG2 ILE 6 2.975 -3.532 -2.199
55 HG22 ILE 6 2HG2 ILE 6 1.741 -4.584 -2.897
56 HG23 ILE 6 3HG2 ILE 6 1.351 -3.576 -1.503
57 HD11 ILE 6 3HD1 ILE 6 3.630 -0.582 -3.265
58 HD12 ILE 6 1HD1 ILE 6 3.506 -1.360 -1.686
59 HD13 ILE 6 2HD1 ILE 6 3.030 0.326 -1.879
60 H ASP 7 H ASP 7 3.876 -4.049 -6.016
61 HA ASP 7 HA ASP 7 2.111 -5.877 -7.239
62 HB2 ASP 7 2HB ASP 7 5.063 -6.076 -6.524
63 HB3 ASP 7 3HB ASP 7 4.219 -7.317 -7.445
64 H VAL 8 H VAL 8 0.766 -7.252 -6.195
65 HA VAL 8 HA VAL 8 1.508 -8.238 -3.507
66 HB VAL 8 HB VAL 8 -0.949 -8.545 -3.066
67 HG11 VAL 8 1HG1 VAL 8 -0.115 -5.675 -3.647
68 HG12 VAL 8 2HG1 VAL 8 0.233 -6.586 -2.178
69 HG13 VAL 8 3HG1 VAL 8 -1.433 -6.174 -2.578
70 HG21 VAL 8 3HG2 VAL 8 -2.616 -7.368 -4.467
71 HG22 VAL 8 1HG2 VAL 8 -1.786 -8.632 -5.378
72 HG23 VAL 8 2HG2 VAL 8 -1.350 -6.940 -5.623
73 H SER 9 H SER 9 1.212 -10.356 -3.048
74 HA SER 9 HA SER 9 1.399 -12.192 -5.315
75 HB2 SER 9 2HB SER 9 1.976 -12.645 -2.348
76 HB3 SER 9 3HB SER 9 2.475 -13.679 -3.691
77 HG SER 9 HG SER 9 4.097 -12.171 -2.871
78 H ASP 10 H ASP 10 -1.019 -11.210 -3.100
79 HA ASP 10 HA ASP 10 -2.755 -13.447 -3.711
80 HB2 ASP 10 2HB ASP 10 -1.314 -14.326 -1.834
81 HB3 ASP 10 3HB ASP 10 -1.894 -13.019 -0.816
82 H ASP 11 H ASP 11 -4.917 -13.211 -2.549
83 HA ASP 11 HA ASP 11 -5.866 -10.482 -2.931
84 HB2 ASP 11 2HB ASP 11 -7.383 -13.061 -2.316
85 HB3 ASP 11 3HB ASP 11 -8.155 -11.505 -2.615
86 H GLU 12 H GLU 12 -5.874 -12.918 -0.302
87 HA GLU 12 HA GLU 12 -7.110 -11.390 1.728
88 HB2 GLU 12 2HB GLU 12 -6.871 -13.808 1.935
89 HB3 GLU 12 3HB GLU 12 -5.118 -13.697 1.865
90 HG2 GLU 12 2HG GLU 12 -5.212 -12.413 4.059
91 HG3 GLU 12 3HG GLU 12 -6.930 -12.797 4.130
92 H GLU 13 H GLU 13 -3.750 -11.825 0.781
93 HA GLU 13 HA GLU 13 -2.438 -10.248 2.723
94 HB2 GLU 13 2HB GLU 13 -1.389 -11.953 1.242
95 HB3 GLU 13 3HB GLU 13 -1.688 -10.919 -0.147
96 HG2 GLU 13 2HG GLU 13 -0.203 -9.172 1.155
97 HG3 GLU 13 3HG GLU 13 0.337 -10.588 2.064
98 H ALA 14 H ALA 14 -3.888 -9.467 -0.421
99 HA ALA 14 HA ALA 14 -3.003 -6.759 -0.592
100 HB1 ALA 14 3HB ALA 14 -3.710 -8.016 -2.573
101 HB2 ALA 14 1HB ALA 14 -4.647 -6.538 -2.402
102 HB3 ALA 14 2HB ALA 14 -5.364 -8.093 -1.962
103 H GLU 15 H GLU 15 -6.045 -8.246 0.566
104 HA GLU 15 HA GLU 15 -7.449 -6.010 1.467
105 HB2 GLU 15 2HB GLU 15 -7.338 -8.788 2.727
106 HB3 GLU 15 3HB GLU 15 -8.585 -7.584 3.036
107 HG2 GLU 15 2HG GLU 15 -9.324 -7.694 0.717
108 HG3 GLU 15 3HG GLU 15 -8.026 -8.812 0.325
109 H LYS 16 H LYS 16 -4.836 -7.816 2.981
110 HA LYS 16 HA LYS 16 -4.806 -6.508 5.498
111 HB2 LYS 16 2HB LYS 16 -2.914 -8.264 3.962
112 HB3 LYS 16 3HB LYS 16 -2.226 -7.321 5.264
113 HG2 LYS 16 2HG LYS 16 -4.621 -8.703 6.216
114 HG3 LYS 16 3HG LYS 16 -3.519 -9.845 5.448
115 HD2 LYS 16 2HD LYS 16 -3.057 -9.670 7.868
116 HD3 LYS 16 3HD LYS 16 -1.683 -9.105 6.915
117 HE2 LYS 16 2HE LYS 16 -2.354 -6.765 7.315
118 HE3 LYS 16 3HE LYS 16 -3.748 -7.314 8.249
119 HZ1 LYS 16 3HZ LYS 16 -2.223 -8.333 9.838
120 HZ2 LYS 16 1HZ LYS 16 -1.937 -6.672 9.693
121 HZ3 LYS 16 2HZ LYS 16 -0.898 -7.778 8.954
122 H ILE 17 H ILE 17 -3.120 -5.828 2.415
123 HA ILE 17 HA ILE 17 -1.528 -3.664 3.252
124 HB ILE 17 HB ILE 17 -2.839 -4.068 0.511
125 HG12 ILE 17 2HG1 ILE 17 -1.442 -5.980 1.036
126 HG13 ILE 17 3HG1 ILE 17 -0.586 -5.001 -0.146
127 HG21 ILE 17 1HG2 ILE 17 -1.048 -2.598 -0.386
128 HG22 ILE 17 2HG2 ILE 17 -0.508 -2.266 1.260
129 HG23 ILE 17 3HG2 ILE 17 -2.109 -1.744 0.739
130 HD11 ILE 17 3HD1 ILE 17 0.891 -5.867 1.581
131 HD12 ILE 17 1HD1 ILE 17 -0.040 -5.045 2.822
132 HD13 ILE 17 2HD1 ILE 17 0.846 -4.109 1.616
133 H ILE 18 H ILE 18 -4.779 -3.700 1.804
134 HA ILE 18 HA ILE 18 -5.396 -0.969 2.033
135 HB ILE 18 HB ILE 18 -7.299 -3.363 1.955
136 HG12 ILE 18 2HG1 ILE 18 -6.232 -1.656 -0.358
137 HG13 ILE 18 3HG1 ILE 18 -5.694 -3.286 0.020
138 HG21 ILE 18 1HG2 ILE 18 -7.866 -0.446 1.299
139 HG22 ILE 18 2HG2 ILE 18 -8.468 -1.328 2.703
140 HG23 ILE 18 3HG2 ILE 18 -8.996 -1.785 1.084
141 HD11 ILE 18 3HD1 ILE 18 -7.932 -4.137 -0.485
142 HD12 ILE 18 1HD1 ILE 18 -7.213 -3.287 -1.853
143 HD13 ILE 18 2HD1 ILE 18 -8.460 -2.500 -0.886
144 H ARG 19 H ARG 19 -5.700 -3.636 4.387
145 HA ARG 19 HA ARG 19 -7.419 -2.307 6.229
146 HB2 ARG 19 2HB ARG 19 -7.116 -4.761 6.324
147 HB3 ARG 19 3HB ARG 19 -5.431 -4.556 6.785
148 HG2 ARG 19 2HG ARG 19 -6.179 -3.436 8.887
149 HG3 ARG 19 3HG ARG 19 -7.854 -3.736 8.432
150 HD2 ARG 19 2HD ARG 19 -7.553 -6.125 8.639
151 HD3 ARG 19 3HD ARG 19 -5.803 -5.944 8.825
152 HE ARG 19 HE ARG 19 -6.921 -4.482 10.889
153 HH11 ARG 19 1HH1 ARG 19 -7.057 -7.870 9.927
154 HH12 ARG 19 2HH1 ARG 19 -7.279 -8.442 11.547
155 HH21 ARG 19 1HH2 ARG 19 -7.161 -5.269 13.019
156 HH22 ARG 19 2HH2 ARG 19 -7.341 -6.975 13.295
157 H GLU 20 H GLU 20 -3.864 -2.594 6.054
158 HA GLU 20 HA GLU 20 -3.355 -1.238 8.510
159 HB2 GLU 20 2HB GLU 20 -1.431 -1.621 6.173
160 HB3 GLU 20 3HB GLU 20 -0.992 -1.220 7.828
161 HG2 GLU 20 2HG GLU 20 -2.092 -3.834 6.787
162 HG3 GLU 20 3HG GLU 20 -0.508 -3.531 7.487
163 H ILE 21 H ILE 21 -3.301 -0.190 5.089
164 HA ILE 21 HA ILE 21 -2.260 2.404 5.625
165 HB ILE 21 HB ILE 21 -3.816 1.527 3.150
166 HG12 ILE 21 2HG1 ILE 21 -1.853 0.071 3.465
167 HG13 ILE 21 3HG1 ILE 21 -1.601 1.128 2.087
168 HG21 ILE 21 1HG2 ILE 21 -3.677 3.968 3.309
169 HG22 ILE 21 2HG2 ILE 21 -2.639 3.390 2.009
170 HG23 ILE 21 3HG2 ILE 21 -1.928 3.879 3.546
171 HD11 ILE 21 3HD1 ILE 21 -0.123 2.534 3.462
172 HD12 ILE 21 1HD1 ILE 21 0.423 0.861 3.374
173 HD13 ILE 21 2HD1 ILE 21 -0.379 1.446 4.829
174 H ARG 22 H ARG 22 -5.618 1.250 5.004
175 HA ARG 22 HA ARG 22 -6.833 3.815 5.215
176 HB2 ARG 22 2HB ARG 22 -8.024 1.024 5.458
177 HB3 ARG 22 3HB ARG 22 -8.989 2.495 5.411
178 HG2 ARG 22 2HG ARG 22 -7.156 1.528 3.192
179 HG3 ARG 22 3HG ARG 22 -8.910 1.355 3.229
180 HD2 ARG 22 2HD ARG 22 -7.397 3.988 3.157
181 HD3 ARG 22 3HD ARG 22 -8.234 3.226 1.798
182 HE ARG 22 HE ARG 22 -10.117 3.449 3.791
183 HH11 ARG 22 1HH1 ARG 22 -8.166 5.742 1.967
184 HH12 ARG 22 2HH1 ARG 22 -9.341 7.011 2.092
185 HH21 ARG 22 1HH2 ARG 22 -11.613 5.113 3.959
186 HH22 ARG 22 2HH2 ARG 22 -11.299 6.656 3.225
187 H GLU 23 H GLU 23 -5.993 1.424 7.669
188 HA GLU 23 HA GLU 23 -7.672 2.344 9.775
189 HB2 GLU 23 2HB GLU 23 -6.530 0.118 9.770
190 HB3 GLU 23 3HB GLU 23 -4.976 0.920 9.958
191 HG2 GLU 23 2HG GLU 23 -5.557 0.110 12.102
192 HG3 GLU 23 3HG GLU 23 -5.848 1.844 12.162
193 H GLN 24 H GLN 24 -4.404 3.127 8.788
194 HA GLN 24 HA GLN 24 -3.868 4.887 11.067
195 HB2 GLN 24 2HB GLN 24 -2.094 4.226 8.671
196 HB3 GLN 24 3HB GLN 24 -1.582 4.989 10.175
197 HG2 GLN 24 2HG GLN 24 -1.927 2.943 11.418
198 HG3 GLN 24 3HG GLN 24 -2.727 2.186 10.041
199 HE21 GLN 24 1HE2 GLN 24 -1.319 0.446 9.923
200 HE22 GLN 24 2HE2 GLN 24 0.330 0.591 9.424
201 H TRP 25 H TRP 25 -4.270 5.034 7.582
202 HA TRP 25 HA TRP 25 -4.641 7.977 7.655
203 HB2 TRP 25 2HB TRP 25 -3.630 6.273 5.332
204 HB3 TRP 25 3HB TRP 25 -3.819 8.023 5.330
205 HD1 TRP 25 HD1 TRP 25 -2.013 9.425 6.854
206 HE1 TRP 25 HE1 TRP 25 0.394 8.846 7.541
207 HE3 TRP 25 HE3 TRP 25 -2.069 4.411 5.884
208 HZ2 TRP 25 HZ2 TRP 25 2.041 6.573 7.670
209 HZ3 TRP 25 HZ3 TRP 25 -0.035 3.096 6.311
210 HH2 TRP 25 HH2 TRP 25 1.986 4.160 7.186
211 HA PRO 26 HA PRO 26 -8.775 6.306 6.305
212 HB2 PRO 26 2HB PRO 26 -10.286 8.294 7.404
213 HB3 PRO 26 3HB PRO 26 -9.629 6.964 8.380
214 HG2 PRO 26 2HG PRO 26 -8.551 9.748 8.043
215 HG3 PRO 26 3HG PRO 26 -8.779 8.808 9.536
216 HD2 PRO 26 2HD PRO 26 -6.361 9.004 8.305
217 HD3 PRO 26 3HD PRO 26 -6.854 7.546 9.197
218 H LYS 27 H LYS 27 -7.182 9.386 5.760
219 HA LYS 27 HA LYS 27 -8.902 10.018 3.452
220 HB2 LYS 27 2HB LYS 27 -6.908 11.759 4.967
221 HB3 LYS 27 3HB LYS 27 -7.943 12.298 3.647
222 HG2 LYS 27 2HG LYS 27 -9.949 11.762 5.036
223 HG3 LYS 27 3HG LYS 27 -8.883 11.306 6.362
224 HD2 LYS 27 2HD LYS 27 -9.080 14.077 5.123
225 HD3 LYS 27 3HD LYS 27 -9.810 13.585 6.650
226 HE2 LYS 27 2HE LYS 27 -7.508 13.111 7.534
227 HE3 LYS 27 3HE LYS 27 -6.842 13.757 6.030
228 HZ1 LYS 27 3HZ LYS 27 -7.861 15.893 6.519
229 HZ2 LYS 27 1HZ LYS 27 -6.887 15.414 7.820
230 HZ3 LYS 27 2HZ LYS 27 -8.568 15.270 7.922
231 H ALA 28 H ALA 28 -7.002 7.879 3.183
232 HA ALA 28 HA ALA 28 -4.811 9.010 1.526
233 HB1 ALA 28 3HB ALA 28 -3.844 7.794 3.413
234 HB2 ALA 28 1HB ALA 28 -3.597 6.862 1.937
235 HB3 ALA 28 2HB ALA 28 -4.858 6.392 3.084
236 H THR 29 H THR 29 -5.529 8.791 -0.624
237 HA THR 29 HA THR 29 -7.581 7.070 -1.389
238 HB THR 29 HB THR 29 -5.427 8.276 -3.176
239 HG1 THR 29 HG1 THR 29 -6.787 10.115 -3.227
240 HG21 THR 29 3HG2 THR 29 -7.215 8.339 -4.899
241 HG22 THR 29 1HG2 THR 29 -8.334 7.560 -3.777
242 HG23 THR 29 2HG2 THR 29 -6.918 6.684 -4.363
243 H VAL 30 H VAL 30 -7.303 4.927 -0.984
244 HA VAL 30 HA VAL 30 -5.092 3.446 -2.273
245 HB VAL 30 HB VAL 30 -7.274 2.376 -0.395
246 HG11 VAL 30 1HG1 VAL 30 -5.893 0.340 -0.237
247 HG12 VAL 30 2HG1 VAL 30 -4.729 1.022 -1.376
248 HG13 VAL 30 3HG1 VAL 30 -6.369 0.647 -1.910
249 HG21 VAL 30 3HG2 VAL 30 -5.540 2.280 1.354
250 HG22 VAL 30 1HG2 VAL 30 -5.795 3.936 0.801
251 HG23 VAL 30 2HG2 VAL 30 -4.379 3.033 0.258
252 H THR 31 H THR 31 -5.504 2.175 -4.001
253 HA THR 31 HA THR 31 -8.237 1.896 -5.077
254 HB THR 31 HB THR 31 -5.692 2.588 -6.642
255 HG1 THR 31 HG1 THR 31 -6.374 4.507 -5.987
256 HG21 THR 31 3HG2 THR 31 -7.115 2.681 -8.643
257 HG22 THR 31 1HG2 THR 31 -8.516 2.166 -7.701
258 HG23 THR 31 2HG2 THR 31 -7.155 1.064 -7.940
259 H ARG 32 H ARG 32 -8.665 -0.205 -5.547
260 HA ARG 32 HA ARG 32 -6.500 -2.196 -5.408
261 HB2 ARG 32 2HB ARG 32 -8.370 -2.520 -3.845
262 HB3 ARG 32 3HB ARG 32 -9.530 -2.414 -5.162
263 HG2 ARG 32 2HG ARG 32 -8.627 -4.524 -6.114
264 HG3 ARG 32 3HG ARG 32 -7.501 -4.638 -4.753
265 HD2 ARG 32 2HD ARG 32 -9.507 -6.058 -4.425
266 HD3 ARG 32 3HD ARG 32 -9.379 -4.815 -3.179
267 HE ARG 32 HE ARG 32 -11.242 -4.721 -5.493
268 HH11 ARG 32 1HH1 ARG 32 -10.531 -3.898 -2.140
269 HH12 ARG 32 2HH1 ARG 32 -12.078 -3.162 -1.874
270 HH21 ARG 32 1HH2 ARG 32 -13.260 -3.743 -5.123
271 HH22 ARG 32 2HH2 ARG 32 -13.624 -3.075 -3.563
272 H THR 33 H THR 33 -5.957 -3.286 -7.213
273 HA THR 33 HA THR 33 -7.729 -3.370 -9.560
274 HB THR 33 HB THR 33 -5.770 -3.093 -11.103
275 HG1 THR 33 HG1 THR 33 -4.257 -3.580 -9.153
276 HG21 THR 33 3HG2 THR 33 -7.102 -1.065 -10.616
277 HG22 THR 33 1HG2 THR 33 -5.402 -0.661 -10.881
278 HG23 THR 33 2HG2 THR 33 -6.054 -0.701 -9.243
279 H ASN 34 H ASN 34 -7.603 -5.509 -10.594
280 HA ASN 34 HA ASN 34 -6.580 -7.639 -9.099
281 HB2 ASN 34 2HB ASN 34 -7.237 -7.492 -12.076
282 HB3 ASN 34 3HB ASN 34 -6.912 -8.990 -11.213
283 HD21 ASN 34 1HD2 ASN 34 -9.196 -6.429 -11.728
284 HD22 ASN 34 2HD2 ASN 34 -10.528 -7.172 -10.916
285 H GLY 35 H GLY 35 -4.471 -7.653 -8.556
286 HA2 GLY 35 2HA GLY 35 -2.404 -8.780 -9.479
287 HA3 GLY 35 3HA GLY 35 -2.382 -7.487 -10.673
288 H ASP 36 H ASP 36 -3.197 -5.370 -8.924
289 HA ASP 36 HA ASP 36 -0.865 -5.073 -7.138
290 HB2 ASP 36 2HB ASP 36 -1.582 -3.117 -9.373
291 HB3 ASP 36 3HB ASP 36 -0.345 -2.846 -8.152
292 H ILE 37 H ILE 37 -1.065 -3.471 -5.548
293 HA ILE 37 HA ILE 37 -3.687 -2.106 -5.256
294 HB ILE 37 HB ILE 37 -1.517 -2.608 -3.153
295 HG12 ILE 37 2HG1 ILE 37 -2.796 -4.657 -3.745
296 HG13 ILE 37 3HG1 ILE 37 -3.127 -4.153 -2.096
297 HG21 ILE 37 1HG2 ILE 37 -4.222 -1.241 -2.815
298 HG22 ILE 37 2HG2 ILE 37 -2.637 -0.472 -2.704
299 HG23 ILE 37 3HG2 ILE 37 -3.120 -1.669 -1.504
300 HD11 ILE 37 3HD1 ILE 37 -5.282 -3.207 -2.837
301 HD12 ILE 37 1HD1 ILE 37 -5.144 -4.928 -3.203
302 HD13 ILE 37 2HD1 ILE 37 -4.933 -3.736 -4.485
303 H LYS 38 H LYS 38 -3.587 -0.150 -6.208
304 HA LYS 38 HA LYS 38 -1.140 1.424 -6.306
305 HB2 LYS 38 2HB LYS 38 -2.621 1.410 -8.268
306 HB3 LYS 38 3HB LYS 38 -3.971 2.003 -7.307
307 HG2 LYS 38 2HG LYS 38 -2.795 4.136 -6.939
308 HG3 LYS 38 3HG LYS 38 -1.403 3.551 -7.846
309 HD2 LYS 38 2HD LYS 38 -4.171 3.800 -9.081
310 HD3 LYS 38 3HD LYS 38 -3.021 5.134 -9.068
311 HE2 LYS 38 2HE LYS 38 -2.889 4.037 -11.209
312 HE3 LYS 38 3HE LYS 38 -1.410 3.689 -10.324
313 HZ1 LYS 38 3HZ LYS 38 -2.211 1.497 -9.835
314 HZ2 LYS 38 1HZ LYS 38 -2.325 1.756 -11.499
315 HZ3 LYS 38 2HZ LYS 38 -3.712 1.825 -10.537
316 H LEU 39 H LEU 39 -0.765 3.232 -5.111
317 HA LEU 39 HA LEU 39 -2.714 4.097 -3.071
318 HB2 LEU 39 2HB LEU 39 -1.279 2.407 -2.016
319 HB3 LEU 39 3HB LEU 39 0.168 3.219 -2.587
320 HG LEU 39 HG LEU 39 -0.191 5.077 -1.041
321 HD11 LEU 39 1HD1 LEU 39 -2.639 5.211 -1.059
322 HD12 LEU 39 2HD1 LEU 39 -2.028 5.118 0.591
323 HD13 LEU 39 3HD1 LEU 39 -2.747 3.693 -0.163
324 HD21 LEU 39 3HD2 LEU 39 1.020 3.120 -0.209
325 HD22 LEU 39 1HD2 LEU 39 -0.492 2.385 0.334
326 HD23 LEU 39 2HD2 LEU 39 0.097 3.866 1.092
327 H ASP 40 H ASP 40 -2.521 6.264 -2.512
328 HA ASP 40 HA ASP 40 -0.475 7.873 -3.922
329 HB2 ASP 40 2HB ASP 40 -2.780 8.081 -4.982
330 HB3 ASP 40 3HB ASP 40 -3.366 8.764 -3.465
331 H ALA 41 H ALA 41 0.833 8.414 -2.352
332 HA ALA 41 HA ALA 41 -0.008 9.114 0.340
333 HB1 ALA 41 3HB ALA 41 2.722 9.234 -0.979
334 HB2 ALA 41 1HB ALA 41 2.095 7.910 0.005
335 HB3 ALA 41 2HB ALA 41 2.402 9.483 0.739
336 H GLN 42 H GLN 42 -0.455 11.108 1.019
337 HA GLN 42 HA GLN 42 -0.714 13.253 -0.873
338 HB2 GLN 42 2HB GLN 42 -1.181 13.342 2.133
339 HB3 GLN 42 3HB GLN 42 -1.781 14.492 0.947
340 HG2 GLN 42 2HG GLN 42 -2.671 11.632 1.378
341 HG3 GLN 42 3HG GLN 42 -3.617 13.103 1.576
342 HE21 GLN 42 1HE2 GLN 42 -2.476 10.728 -0.661
343 HE22 GLN 42 2HE2 GLN 42 -3.355 11.292 -2.038
344 H THR 43 H THR 43 1.714 12.347 1.421
345 HA THR 43 HA THR 43 3.413 14.472 0.396
346 HB THR 43 HB THR 43 2.535 15.477 2.479
347 HG1 THR 43 HG1 THR 43 5.250 14.841 2.982
348 HG21 THR 43 3HG2 THR 43 3.877 13.191 3.963
349 HG22 THR 43 1HG2 THR 43 2.134 13.448 3.824
350 HG23 THR 43 2HG2 THR 43 3.130 14.615 4.692
351 H GLU 44 H GLU 44 5.718 14.087 0.885
352 HA GLU 44 HA GLU 44 6.338 11.501 -0.099
353 HB2 GLU 44 2HB GLU 44 8.624 12.277 -0.334
354 HB3 GLU 44 3HB GLU 44 7.538 13.569 -0.795
355 HG2 GLU 44 2HG GLU 44 9.088 13.381 1.796
356 HG3 GLU 44 3HG GLU 44 9.460 14.429 0.432
357 H LYS 45 H LYS 45 6.821 12.970 3.081
358 HA LYS 45 HA LYS 45 8.446 10.865 4.183
359 HB2 LYS 45 2HB LYS 45 8.578 13.205 4.952
360 HB3 LYS 45 3HB LYS 45 6.916 13.133 5.520
361 HG2 LYS 45 2HG LYS 45 7.525 11.549 7.266
362 HG3 LYS 45 3HG LYS 45 9.163 11.415 6.619
363 HD2 LYS 45 2HD LYS 45 9.076 12.875 8.631
364 HD3 LYS 45 3HD LYS 45 9.636 13.747 7.204
365 HE2 LYS 45 2HE LYS 45 7.326 14.681 6.923
366 HE3 LYS 45 3HE LYS 45 6.852 13.872 8.417
367 HZ1 LYS 45 3HZ LYS 45 7.412 16.206 8.780
368 HZ2 LYS 45 1HZ LYS 45 8.981 15.942 8.200
369 HZ3 LYS 45 2HZ LYS 45 8.466 15.186 9.622
370 H GLU 46 H GLU 46 5.103 11.203 3.596
371 HA GLU 46 HA GLU 46 4.150 9.460 5.732
372 HB2 GLU 46 2HB GLU 46 2.740 11.328 5.105
373 HB3 GLU 46 3HB GLU 46 2.795 10.892 3.404
374 HG2 GLU 46 2HG GLU 46 1.487 8.861 3.898
375 HG3 GLU 46 3HG GLU 46 1.420 9.311 5.601
376 H ALA 47 H ALA 47 4.728 9.505 2.210
377 HA ALA 47 HA ALA 47 3.884 7.013 1.403
378 HB1 ALA 47 3HB ALA 47 4.762 8.730 -0.117
379 HB2 ALA 47 1HB ALA 47 5.540 7.173 -0.396
380 HB3 ALA 47 2HB ALA 47 6.396 8.445 0.483
381 H GLU 48 H GLU 48 6.879 7.838 3.055
382 HA GLU 48 HA GLU 48 8.234 5.372 2.771
383 HB2 GLU 48 2HB GLU 48 8.574 7.481 4.948
384 HB3 GLU 48 3HB GLU 48 9.755 6.263 4.479
385 HG2 GLU 48 2HG GLU 48 8.799 8.601 2.814
386 HG3 GLU 48 3HG GLU 48 10.387 8.415 3.554
387 H LYS 49 H LYS 49 5.989 6.600 5.178
388 HA LYS 49 HA LYS 49 6.181 4.428 7.063
389 HB2 LYS 49 2HB LYS 49 3.977 6.510 6.685
390 HB3 LYS 49 3HB LYS 49 4.254 5.544 8.131
391 HG2 LYS 49 2HG LYS 49 6.391 6.692 8.515
392 HG3 LYS 49 3HG LYS 49 6.166 7.633 7.036
393 HD2 LYS 49 2HD LYS 49 4.143 8.677 8.005
394 HD3 LYS 49 3HD LYS 49 4.345 7.720 9.475
395 HE2 LYS 49 2HE LYS 49 6.561 8.839 9.832
396 HE3 LYS 49 3HE LYS 49 6.225 9.868 8.436
397 HZ1 LYS 49 3HZ LYS 49 5.664 10.949 10.531
398 HZ2 LYS 49 1HZ LYS 49 4.565 9.721 10.901
399 HZ3 LYS 49 2HZ LYS 49 4.283 10.741 9.580
400 H MET 50 H MET 50 3.990 5.408 4.594
401 HA MET 50 HA MET 50 1.955 3.493 4.616
402 HB2 MET 50 2HB MET 50 3.120 5.087 2.311
403 HB3 MET 50 3HB MET 50 1.813 3.942 2.045
404 HG2 MET 50 2HG MET 50 0.436 5.181 3.703
405 HG3 MET 50 3HG MET 50 1.733 6.378 3.825
406 HE1 MET 50 3HE MET 50 -1.472 6.703 2.873
407 HE2 MET 50 1HE MET 50 -1.261 7.984 1.679
408 HE3 MET 50 2HE MET 50 -0.411 8.069 3.223
409 H GLU 51 H GLU 51 4.739 3.397 2.372
410 HA GLU 51 HA GLU 51 4.427 0.778 1.474
411 HB2 GLU 51 2HB GLU 51 6.686 0.967 0.603
412 HB3 GLU 51 3HB GLU 51 5.848 2.490 0.379
413 HG2 GLU 51 2HG GLU 51 7.073 3.514 2.171
414 HG3 GLU 51 3HG GLU 51 7.773 1.971 2.662
415 H LYS 52 H LYS 52 5.864 1.951 4.431
416 HA LYS 52 HA LYS 52 7.340 -0.406 5.144
417 HB2 LYS 52 2HB LYS 52 7.887 1.817 6.050
418 HB3 LYS 52 3HB LYS 52 6.317 1.914 6.838
419 HG2 LYS 52 2HG LYS 52 6.916 0.148 8.388
420 HG3 LYS 52 3HG LYS 52 8.411 -0.179 7.502
421 HD2 LYS 52 2HD LYS 52 8.854 1.128 9.562
422 HD3 LYS 52 3HD LYS 52 9.297 2.040 8.117
423 HE2 LYS 52 2HE LYS 52 7.105 3.251 8.272
424 HE3 LYS 52 3HE LYS 52 6.782 2.405 9.787
425 HZ1 LYS 52 3HZ LYS 52 9.081 4.223 9.275
426 HZ2 LYS 52 1HZ LYS 52 8.766 3.422 10.734
427 HZ3 LYS 52 2HZ LYS 52 7.699 4.608 10.173
428 H ALA 53 H ALA 53 4.067 0.831 5.910
429 HA ALA 53 HA ALA 53 3.193 -1.229 7.634
430 HB1 ALA 53 3HB ALA 53 1.515 0.394 5.675
431 HB2 ALA 53 1HB ALA 53 1.946 0.898 7.310
432 HB3 ALA 53 2HB ALA 53 0.905 -0.504 7.068
433 H VAL 54 H VAL 54 2.983 -0.842 4.122
434 HA VAL 54 HA VAL 54 1.865 -3.236 3.293
435 HB VAL 54 HB VAL 54 4.027 -1.516 2.004
436 HG11 VAL 54 1HG1 VAL 54 2.401 -3.702 0.673
437 HG12 VAL 54 2HG1 VAL 54 4.140 -3.720 0.974
438 HG13 VAL 54 3HG1 VAL 54 3.452 -2.554 -0.156
439 HG21 VAL 54 3HG2 VAL 54 2.167 -0.579 0.662
440 HG22 VAL 54 1HG2 VAL 54 1.926 -0.321 2.391
441 HG23 VAL 54 2HG2 VAL 54 1.021 -1.582 1.554
442 H LYS 55 H LYS 55 5.363 -2.530 3.680
443 HA LYS 55 HA LYS 55 6.335 -5.097 3.125
444 HB2 LYS 55 2HB LYS 55 7.589 -2.836 4.727
445 HB3 LYS 55 3HB LYS 55 8.454 -4.314 4.313
446 HG2 LYS 55 2HG LYS 55 8.244 -3.824 1.930
447 HG3 LYS 55 3HG LYS 55 7.261 -2.400 2.284
448 HD2 LYS 55 2HD LYS 55 9.196 -1.397 3.503
449 HD3 LYS 55 3HD LYS 55 10.176 -2.799 3.065
450 HE2 LYS 55 2HE LYS 55 8.940 -0.801 1.142
451 HE3 LYS 55 3HE LYS 55 10.643 -0.916 1.576
452 HZ1 LYS 55 3HZ LYS 55 9.086 -2.999 0.143
453 HZ2 LYS 55 1HZ LYS 55 10.719 -3.113 0.564
454 HZ3 LYS 55 2HZ LYS 55 10.209 -1.951 -0.553
455 H LYS 56 H LYS 56 5.057 -3.837 6.161
456 HA LYS 56 HA LYS 56 5.987 -5.977 7.831
457 HB2 LYS 56 2HB LYS 56 3.661 -4.038 8.204
458 HB3 LYS 56 3HB LYS 56 4.185 -5.183 9.431
459 HG2 LYS 56 2HG LYS 56 5.808 -2.871 8.323
460 HG3 LYS 56 3HG LYS 56 5.054 -2.952 9.912
461 HD2 LYS 56 2HD LYS 56 7.324 -4.729 8.929
462 HD3 LYS 56 3HD LYS 56 7.496 -3.359 10.024
463 HE2 LYS 56 2HE LYS 56 5.921 -5.890 10.611
464 HE3 LYS 56 3HE LYS 56 7.527 -5.518 11.231
465 HZ1 LYS 56 3HZ LYS 56 5.048 -3.984 11.803
466 HZ2 LYS 56 1HZ LYS 56 6.594 -3.605 12.380
467 HZ3 LYS 56 2HZ LYS 56 5.839 -5.038 12.862
468 H VAL 57 H VAL 57 3.317 -5.644 5.611
469 HA VAL 57 HA VAL 57 1.978 -8.106 6.429
470 HB VAL 57 HB VAL 57 1.531 -6.267 4.027
471 HG11 VAL 57 1HG1 VAL 57 -0.157 -8.632 4.924
472 HG12 VAL 57 2HG1 VAL 57 0.815 -8.535 3.453
473 HG13 VAL 57 3HG1 VAL 57 -0.582 -7.481 3.652
474 HG21 VAL 57 3HG2 VAL 57 0.956 -5.191 6.151
475 HG22 VAL 57 1HG2 VAL 57 -0.066 -6.558 6.604
476 HG23 VAL 57 2HG2 VAL 57 -0.508 -5.537 5.231
477 H LYS 58 H LYS 58 4.379 -7.055 4.141
478 HA LYS 58 HA LYS 58 4.826 -9.663 3.043
479 HB2 LYS 58 2HB LYS 58 4.386 -8.974 0.629
480 HB3 LYS 58 3HB LYS 58 2.954 -9.207 1.621
481 HG2 LYS 58 2HG LYS 58 2.775 -6.741 1.909
482 HG3 LYS 58 3HG LYS 58 4.168 -6.537 0.852
483 HD2 LYS 58 2HD LYS 58 1.544 -7.834 0.024
484 HD3 LYS 58 3HD LYS 58 1.967 -6.151 -0.278
485 HE2 LYS 58 2HE LYS 58 2.422 -7.231 -2.306
486 HE3 LYS 58 3HE LYS 58 4.005 -7.074 -1.556
487 HZ1 LYS 58 3HZ LYS 58 3.619 -9.256 -2.573
488 HZ2 LYS 58 1HZ LYS 58 2.340 -9.534 -1.519
489 HZ3 LYS 58 2HZ LYS 58 3.906 -9.388 -0.915
490 HA PRO 59 HA PRO 59 8.676 -7.153 3.272
491 HB2 PRO 59 2HB PRO 59 10.401 -9.227 3.643
492 HB3 PRO 59 3HB PRO 59 9.331 -8.661 4.942
493 HG2 PRO 59 2HG PRO 59 8.941 -10.995 3.084
494 HG3 PRO 59 3HG PRO 59 8.766 -10.932 4.855
495 HD2 PRO 59 2HD PRO 59 6.626 -10.746 3.190
496 HD3 PRO 59 3HD PRO 59 6.685 -9.889 4.748
497 H ASN 60 H ASN 60 7.533 -9.310 0.953
498 HA ASN 60 HA ASN 60 9.818 -9.177 -0.885
499 HB2 ASN 60 2HB ASN 60 7.153 -10.662 -1.069
500 HB3 ASN 60 3HB ASN 60 8.490 -10.826 -2.207
501 HD21 ASN 60 1HD2 ASN 60 10.339 -11.984 -1.560
502 HD22 ASN 60 2HD2 ASN 60 10.348 -13.005 -0.169
503 H ALA 61 H ALA 61 7.428 -7.096 -0.137
504 HA ALA 61 HA ALA 61 5.899 -6.642 -2.426
505 HB1 ALA 61 3HB ALA 61 6.730 -4.623 -0.303
506 HB2 ALA 61 1HB ALA 61 5.346 -5.714 -0.210
507 HB3 ALA 61 2HB ALA 61 5.382 -4.442 -1.429
508 H THR 62 H THR 62 6.731 -6.253 -4.424
509 HA THR 62 HA THR 62 8.930 -4.422 -4.911
510 HB THR 62 HB THR 62 6.986 -5.788 -6.817
511 HG1 THR 62 HG1 THR 62 9.736 -6.332 -6.267
512 HG21 THR 62 3HG2 THR 62 9.500 -4.203 -7.475
513 HG22 THR 62 1HG2 THR 62 7.843 -3.739 -7.877
514 HG23 THR 62 2HG2 THR 62 8.568 -5.159 -8.627
515 H ILE 63 H ILE 63 8.528 -2.364 -4.425
516 HA ILE 63 HA ILE 63 5.872 -1.154 -4.841
517 HB ILE 63 HB ILE 63 8.221 -0.330 -3.054
518 HG12 ILE 63 2HG1 ILE 63 5.544 -1.601 -2.318
519 HG13 ILE 63 3HG1 ILE 63 7.072 -2.460 -2.394
520 HG21 ILE 63 1HG2 ILE 63 5.425 0.879 -3.186
521 HG22 ILE 63 2HG2 ILE 63 6.910 1.647 -3.755
522 HG23 ILE 63 3HG2 ILE 63 6.690 1.323 -2.034
523 HD11 ILE 63 3HD1 ILE 63 6.571 -2.054 -0.138
524 HD12 ILE 63 1HD1 ILE 63 6.242 -0.350 -0.440
525 HD13 ILE 63 2HD1 ILE 63 7.889 -0.966 -0.571
526 H ARG 64 H ARG 64 5.676 0.290 -6.431
527 HA ARG 64 HA ARG 64 8.076 1.255 -7.874
528 HB2 ARG 64 2HB ARG 64 5.184 1.124 -8.850
529 HB3 ARG 64 3HB ARG 64 6.583 1.586 -9.809
530 HG2 ARG 64 2HG ARG 64 6.040 -1.170 -8.656
531 HG3 ARG 64 3HG ARG 64 5.868 -0.696 -10.343
532 HD2 ARG 64 2HD ARG 64 8.339 -0.213 -10.389
533 HD3 ARG 64 3HD ARG 64 8.449 -0.862 -8.752
534 HE ARG 64 HE ARG 64 7.249 -2.856 -10.170
535 HH11 ARG 64 1HH1 ARG 64 10.291 -1.113 -10.561
536 HH12 ARG 64 2HH1 ARG 64 11.092 -2.449 -11.329
537 HH21 ARG 64 1HH2 ARG 64 8.299 -4.580 -11.187
538 HH22 ARG 64 2HH2 ARG 64 9.959 -4.426 -11.687
539 H LYS 65 H LYS 65 8.643 3.174 -7.092
540 HA LYS 65 HA LYS 65 6.778 5.103 -5.978
541 HB2 LYS 65 2HB LYS 65 9.798 5.093 -6.397
542 HB3 LYS 65 3HB LYS 65 8.938 6.458 -5.693
543 HG2 LYS 65 2HG LYS 65 8.291 5.163 -3.774
544 HG3 LYS 65 3HG LYS 65 8.895 3.671 -4.504
545 HD2 LYS 65 2HD LYS 65 11.191 4.438 -4.356
546 HD3 LYS 65 3HD LYS 65 10.682 6.056 -3.865
547 HE2 LYS 65 2HE LYS 65 10.220 3.546 -2.218
548 HE3 LYS 65 3HE LYS 65 11.571 4.660 -1.993
549 HZ1 LYS 65 3HZ LYS 65 9.999 6.421 -1.498
550 HZ2 LYS 65 1HZ LYS 65 9.759 5.110 -0.455
551 HZ3 LYS 65 2HZ LYS 65 8.703 5.366 -1.742
552 H THR 66 H THR 66 6.176 7.050 -6.933
553 HA THR 66 HA THR 66 7.588 7.932 -9.395
554 HB THR 66 HB THR 66 5.548 9.187 -10.035
555 HG1 THR 66 HG1 THR 66 3.679 9.025 -8.857
556 HG21 THR 66 3HG2 THR 66 4.891 6.256 -9.546
557 HG22 THR 66 1HG2 THR 66 5.795 6.884 -10.927
558 HG23 THR 66 2HG2 THR 66 4.100 7.319 -10.712
559 H GLY 67 H GLY 67 8.778 9.712 -9.040
560 HA2 GLY 67 2HA GLY 67 8.613 11.113 -6.482
561 HA3 GLY 67 3HA GLY 67 9.874 11.257 -7.688
562 H GLY 68 H GLY 68 9.090 13.513 -6.570
563 HA2 GLY 68 2HA GLY 68 7.037 14.810 -8.257
564 HA3 GLY 68 3HA GLY 68 7.618 15.375 -6.700
565 H SER 69 H SER 69 9.078 14.518 -9.842
566 HA SER 69 HA SER 69 10.653 17.007 -9.821
567 HB2 SER 69 2HB SER 69 10.665 14.680 -11.805
568 HB3 SER 69 3HB SER 69 11.783 16.051 -11.817
569 HG SER 69 HG SER 69 11.473 14.156 -9.720
570 H LEU 70 H LEU 70 8.374 17.960 -9.803
571 HA LEU 70 HA LEU 70 7.028 18.134 -12.394
572 HB2 LEU 70 2HB LEU 70 5.180 19.105 -11.265
573 HB3 LEU 70 3HB LEU 70 5.744 17.840 -10.196
574 HG LEU 70 HG LEU 70 6.360 20.801 -9.781
575 HD11 LEU 70 1HD1 LEU 70 3.945 20.433 -9.625
576 HD12 LEU 70 2HD1 LEU 70 4.627 20.817 -8.046
577 HD13 LEU 70 3HD1 LEU 70 4.198 19.149 -8.441
578 HD21 LEU 70 3HD2 LEU 70 6.996 20.188 -7.503
579 HD22 LEU 70 1HD2 LEU 70 7.982 19.305 -8.669
580 HD23 LEU 70 2HD2 LEU 70 6.660 18.487 -7.834
581 H GLU 71 H GLU 71 6.046 20.708 -12.382
582 HA GLU 71 HA GLU 71 8.405 22.494 -12.293
583 HB2 GLU 71 2HB GLU 71 7.977 21.849 -14.617
584 HB3 GLU 71 3HB GLU 71 6.281 22.288 -14.472
585 HG2 GLU 71 2HG GLU 71 7.592 23.951 -15.739
586 HG3 GLU 71 3HG GLU 71 6.848 24.637 -14.297
587 H HIS 72 H HIS 72 7.880 23.633 -10.429
588 HA HIS 72 HA HIS 72 5.384 25.017 -10.051
589 HB2 HIS 72 2HB HIS 72 8.178 25.584 -8.943
590 HB3 HIS 72 3HB HIS 72 6.763 26.546 -8.529
591 HD1 HIS 72 HD1 HIS 72 5.406 25.749 -6.595
592 HD2 HIS 72 HD2 HIS 72 7.959 22.800 -8.029
593 HE1 HIS 72 HE1 HIS 72 5.267 23.869 -4.943
594 HE2 HIS 72 HE2 HIS 72 6.668 22.043 -5.931
595 H HIS 73 H HIS 73 4.809 25.925 -11.952
596 HA HIS 73 HA HIS 73 6.575 26.776 -13.934
597 HB2 HIS 73 2HB HIS 73 4.356 25.880 -14.439
598 HB3 HIS 73 3HB HIS 73 3.586 27.259 -13.666
599 HD1 HIS 73 HD1 HIS 73 5.887 26.556 -16.620
600 HD2 HIS 73 HD2 HIS 73 2.963 29.255 -15.409
601 HE1 HIS 73 HE1 HIS 73 5.499 28.061 -18.592
602 HE2 HIS 73 HE2 HIS 73 3.630 29.578 -17.884
603 H HIS 74 H HIS 74 7.918 28.301 -13.292
604 HA HIS 74 HA HIS 74 7.083 30.878 -12.245
605 HB2 HIS 74 2HB HIS 74 9.569 31.351 -12.277
606 HB3 HIS 74 3HB HIS 74 9.109 29.956 -11.308
607 HD1 HIS 74 HD1 HIS 74 9.570 27.552 -12.520
608 HD2 HIS 74 HD2 HIS 74 11.528 30.849 -14.122
609 HE1 HIS 74 HE1 HIS 74 11.415 26.622 -13.945
610 HE2 HIS 74 HE2 HIS 74 12.466 28.629 -15.025
611 H HIS 75 H HIS 75 5.995 32.050 -13.747
612 HA HIS 75 HA HIS 75 7.406 32.996 -16.119
613 HB2 HIS 75 2HB HIS 75 6.191 30.969 -16.921
614 HB3 HIS 75 3HB HIS 75 4.675 31.643 -16.338
615 HD1 HIS 75 HD1 HIS 75 3.483 33.309 -17.848
616 HD2 HIS 75 HD2 HIS 75 7.243 32.259 -19.264
617 HE1 HIS 75 HE1 HIS 75 3.629 34.277 -20.156
618 HE2 HIS 75 HE2 HIS 75 5.979 33.807 -20.898
619 H HIS 76 H HIS 76 7.214 35.123 -16.023
620 HA HIS 76 HA HIS 76 4.800 36.458 -14.963
621 HB2 HIS 76 2HB HIS 76 7.611 37.487 -15.551
622 HB3 HIS 76 3HB HIS 76 6.276 38.555 -15.136
623 HD1 HIS 76 HD1 HIS 76 6.416 39.242 -12.787
624 HD2 HIS 76 HD2 HIS 76 7.802 35.358 -13.298
625 HE1 HIS 76 HE1 HIS 76 7.134 38.483 -10.513
626 HE2 HIS 76 HE2 HIS 76 8.158 36.214 -10.891
627 H HIS 77 H HIS 77 4.284 38.570 -16.189
628 HA HIS 77 HA HIS 77 3.723 37.874 -18.968
629 HB2 HIS 77 2HB HIS 77 1.896 38.702 -17.483
630 HB3 HIS 77 3HB HIS 77 2.742 40.234 -17.289
631 HD1 HIS 77 HD1 HIS 77 1.542 41.947 -18.625
632 HD2 HIS 77 HD2 HIS 77 1.655 38.285 -20.599
633 HE1 HIS 77 HE1 HIS 77 0.372 42.320 -20.819
634 HE2 HIS 77 HE2 HIS 77 0.589 40.144 -22.051
Start of MODEL 15
1 H1 MET 1 1H MET 1 2.056 14.363 -5.828
2 H2 MET 1 2H MET 1 0.626 14.869 -6.573
3 H3 MET 1 3H MET 1 1.857 14.172 -7.493
4 HA MET 1 HA MET 1 0.299 12.822 -5.385
5 HB2 MET 1 2HB MET 1 -1.032 13.253 -7.446
6 HB3 MET 1 3HB MET 1 0.215 12.491 -8.421
7 HG2 MET 1 2HG MET 1 -0.249 10.327 -7.334
8 HG3 MET 1 3HG MET 1 -1.476 11.092 -6.323
9 HE1 MET 1 3HE MET 1 -1.875 10.448 -10.897
10 HE2 MET 1 1HE MET 1 -0.523 9.850 -9.935
11 HE3 MET 1 2HE MET 1 -0.701 11.581 -10.231
12 H VAL 2 H VAL 2 1.746 11.471 -4.360
13 HA VAL 2 HA VAL 2 3.844 10.118 -5.866
14 HB VAL 2 HB VAL 2 3.098 9.702 -2.937
15 HG11 VAL 2 1HG1 VAL 2 5.587 8.856 -4.482
16 HG12 VAL 2 2HG1 VAL 2 4.323 7.773 -3.899
17 HG13 VAL 2 3HG1 VAL 2 5.341 8.638 -2.748
18 HG21 VAL 2 3HG2 VAL 2 5.289 11.436 -4.132
19 HG22 VAL 2 1HG2 VAL 2 5.054 11.135 -2.408
20 HG23 VAL 2 2HG2 VAL 2 3.835 12.019 -3.327
21 H ASP 3 H ASP 3 3.227 8.551 -7.113
22 HA ASP 3 HA ASP 3 0.853 6.950 -6.681
23 HB2 ASP 3 2HB ASP 3 1.454 7.950 -8.936
24 HB3 ASP 3 3HB ASP 3 2.859 6.891 -8.982
25 H LEU 4 H LEU 4 1.212 5.393 -5.178
26 HA LEU 4 HA LEU 4 3.654 3.737 -5.217
27 HB2 LEU 4 2HB LEU 4 1.386 3.865 -3.174
28 HB3 LEU 4 3HB LEU 4 2.863 2.930 -3.001
29 HG LEU 4 HG LEU 4 2.690 5.978 -3.040
30 HD11 LEU 4 1HD1 LEU 4 1.775 5.008 -0.975
31 HD12 LEU 4 2HD1 LEU 4 3.289 5.854 -0.667
32 HD13 LEU 4 3HD1 LEU 4 3.264 4.089 -0.732
33 HD21 LEU 4 3HD2 LEU 4 5.094 4.175 -2.615
34 HD22 LEU 4 1HD2 LEU 4 5.075 5.930 -2.419
35 HD23 LEU 4 2HD2 LEU 4 4.799 5.220 -4.007
36 H LYS 5 H LYS 5 3.415 2.056 -6.639
37 HA LYS 5 HA LYS 5 0.893 0.509 -6.677
38 HB2 LYS 5 2HB LYS 5 3.347 0.270 -8.477
39 HB3 LYS 5 3HB LYS 5 1.887 -0.715 -8.594
40 HG2 LYS 5 2HG LYS 5 0.632 1.499 -9.017
41 HG3 LYS 5 3HG LYS 5 2.227 2.224 -9.253
42 HD2 LYS 5 2HD LYS 5 1.028 -0.084 -10.836
43 HD3 LYS 5 3HD LYS 5 1.271 1.566 -11.409
44 HE2 LYS 5 2HE LYS 5 3.609 1.300 -11.584
45 HE3 LYS 5 3HE LYS 5 3.640 -0.074 -10.475
46 HZ1 LYS 5 3HZ LYS 5 3.959 -0.769 -12.762
47 HZ2 LYS 5 1HZ LYS 5 2.470 -0.099 -13.205
48 HZ3 LYS 5 2HZ LYS 5 2.526 -1.407 -12.135
49 H ILE 6 H ILE 6 0.845 -1.080 -5.246
50 HA ILE 6 HA ILE 6 3.335 -2.378 -4.338
51 HB ILE 6 HB ILE 6 0.519 -2.401 -3.139
52 HG12 ILE 6 2HG1 ILE 6 1.811 -1.387 -1.111
53 HG13 ILE 6 3HG1 ILE 6 3.124 -1.096 -2.240
54 HG21 ILE 6 1HG2 ILE 6 1.462 -3.757 -1.286
55 HG22 ILE 6 2HG2 ILE 6 2.992 -3.870 -2.157
56 HG23 ILE 6 3HG2 ILE 6 1.540 -4.613 -2.829
57 HD11 ILE 6 3HD1 ILE 6 1.802 0.899 -1.862
58 HD12 ILE 6 1HD1 ILE 6 0.346 0.067 -2.416
59 HD13 ILE 6 2HD1 ILE 6 1.670 0.377 -3.542
60 H ASP 7 H ASP 7 3.768 -3.873 -5.914
61 HA ASP 7 HA ASP 7 1.925 -5.578 -7.208
62 HB2 ASP 7 2HB ASP 7 4.144 -5.280 -8.160
63 HB3 ASP 7 3HB ASP 7 4.914 -5.840 -6.684
64 H VAL 8 H VAL 8 0.877 -7.299 -6.429
65 HA VAL 8 HA VAL 8 1.697 -8.527 -3.860
66 HB VAL 8 HB VAL 8 -0.802 -8.871 -3.409
67 HG11 VAL 8 1HG1 VAL 8 -1.151 -6.618 -2.468
68 HG12 VAL 8 2HG1 VAL 8 0.190 -5.996 -3.434
69 HG13 VAL 8 3HG1 VAL 8 0.492 -7.195 -2.172
70 HG21 VAL 8 3HG2 VAL 8 -1.123 -6.765 -5.595
71 HG22 VAL 8 1HG2 VAL 8 -2.410 -7.341 -4.529
72 HG23 VAL 8 2HG2 VAL 8 -1.662 -8.443 -5.684
73 H SER 9 H SER 9 1.543 -10.675 -3.758
74 HA SER 9 HA SER 9 1.085 -12.204 -6.223
75 HB2 SER 9 2HB SER 9 2.269 -14.024 -4.846
76 HB3 SER 9 3HB SER 9 3.223 -12.595 -5.233
77 HG SER 9 HG SER 9 1.868 -13.023 -2.765
78 H ASP 10 H ASP 10 -0.313 -11.736 -3.027
79 HA ASP 10 HA ASP 10 -2.159 -14.045 -3.412
80 HB2 ASP 10 2HB ASP 10 -1.232 -12.763 -0.811
81 HB3 ASP 10 3HB ASP 10 -2.409 -14.058 -0.913
82 H ASP 11 H ASP 11 -4.344 -13.806 -2.640
83 HA ASP 11 HA ASP 11 -5.623 -11.316 -3.223
84 HB2 ASP 11 2HB ASP 11 -6.683 -13.930 -2.058
85 HB3 ASP 11 3HB ASP 11 -7.724 -12.533 -2.300
86 H GLU 12 H GLU 12 -5.472 -13.263 -0.236
87 HA GLU 12 HA GLU 12 -6.629 -11.497 1.567
88 HB2 GLU 12 2HB GLU 12 -6.178 -13.861 2.103
89 HB3 GLU 12 3HB GLU 12 -4.448 -13.552 2.121
90 HG2 GLU 12 2HG GLU 12 -4.672 -12.121 4.085
91 HG3 GLU 12 3HG GLU 12 -6.428 -12.266 4.043
92 H GLU 13 H GLU 13 -3.292 -11.753 0.538
93 HA GLU 13 HA GLU 13 -1.987 -10.015 2.321
94 HB2 GLU 13 2HB GLU 13 -0.835 -11.622 0.904
95 HB3 GLU 13 3HB GLU 13 -1.391 -10.803 -0.552
96 HG2 GLU 13 2HG GLU 13 -0.003 -8.828 0.081
97 HG3 GLU 13 3HG GLU 13 0.597 -9.729 1.478
98 H ALA 14 H ALA 14 -3.394 -9.448 -0.883
99 HA ALA 14 HA ALA 14 -2.821 -6.719 -1.189
100 HB1 ALA 14 3HB ALA 14 -4.540 -6.779 -2.950
101 HB2 ALA 14 1HB ALA 14 -5.088 -8.351 -2.363
102 HB3 ALA 14 2HB ALA 14 -3.466 -8.175 -3.044
103 H GLU 15 H GLU 15 -5.835 -8.328 -0.123
104 HA GLU 15 HA GLU 15 -7.373 -6.115 0.534
105 HB2 GLU 15 2HB GLU 15 -7.431 -8.858 1.872
106 HB3 GLU 15 3HB GLU 15 -8.732 -7.668 1.907
107 HG2 GLU 15 2HG GLU 15 -8.880 -7.839 -0.601
108 HG3 GLU 15 3HG GLU 15 -7.686 -9.134 -0.531
109 H LYS 16 H LYS 16 -4.959 -7.809 2.477
110 HA LYS 16 HA LYS 16 -5.428 -6.433 4.930
111 HB2 LYS 16 2HB LYS 16 -3.016 -8.017 3.949
112 HB3 LYS 16 3HB LYS 16 -3.102 -7.290 5.552
113 HG2 LYS 16 2HG LYS 16 -5.048 -8.679 6.124
114 HG3 LYS 16 3HG LYS 16 -5.052 -9.365 4.498
115 HD2 LYS 16 2HD LYS 16 -4.013 -10.934 6.050
116 HD3 LYS 16 3HD LYS 16 -2.814 -10.339 4.900
117 HE2 LYS 16 2HE LYS 16 -1.827 -10.425 7.115
118 HE3 LYS 16 3HE LYS 16 -2.002 -8.732 6.649
119 HZ1 LYS 16 3HZ LYS 16 -2.685 -9.048 8.916
120 HZ2 LYS 16 1HZ LYS 16 -3.785 -10.256 8.474
121 HZ3 LYS 16 2HZ LYS 16 -4.041 -8.660 7.989
122 H ILE 17 H ILE 17 -3.359 -5.769 2.102
123 HA ILE 17 HA ILE 17 -1.878 -3.598 3.166
124 HB ILE 17 HB ILE 17 -2.779 -4.042 0.274
125 HG12 ILE 17 2HG1 ILE 17 -1.409 -5.909 0.949
126 HG13 ILE 17 3HG1 ILE 17 -0.378 -4.881 -0.033
127 HG21 ILE 17 1HG2 ILE 17 -0.930 -2.520 -0.399
128 HG22 ILE 17 2HG2 ILE 17 -0.630 -2.155 1.301
129 HG23 ILE 17 3HG2 ILE 17 -2.161 -1.691 0.561
130 HD11 ILE 17 3HD1 ILE 17 -0.373 -5.093 2.977
131 HD12 ILE 17 1HD1 ILE 17 0.632 -3.983 2.038
132 HD13 ILE 17 2HD1 ILE 17 0.831 -5.723 1.859
133 H ILE 18 H ILE 18 -4.989 -3.686 1.418
134 HA ILE 18 HA ILE 18 -5.662 -1.004 1.371
135 HB ILE 18 HB ILE 18 -7.503 -3.429 1.602
136 HG12 ILE 18 2HG1 ILE 18 -6.557 -1.919 -0.889
137 HG13 ILE 18 3HG1 ILE 18 -5.930 -3.476 -0.366
138 HG21 ILE 18 1HG2 ILE 18 -9.267 -1.998 0.616
139 HG22 ILE 18 2HG2 ILE 18 -8.176 -0.614 0.680
140 HG23 ILE 18 3HG2 ILE 18 -8.724 -1.370 2.177
141 HD11 ILE 18 3HD1 ILE 18 -8.741 -2.903 -1.302
142 HD12 ILE 18 1HD1 ILE 18 -8.158 -4.465 -0.715
143 HD13 ILE 18 2HD1 ILE 18 -7.475 -3.761 -2.179
144 H ARG 19 H ARG 19 -6.586 -3.447 3.844
145 HA ARG 19 HA ARG 19 -7.993 -1.779 5.614
146 HB2 ARG 19 2HB ARG 19 -6.335 -4.220 6.405
147 HB3 ARG 19 3HB ARG 19 -7.647 -3.505 7.340
148 HG2 ARG 19 2HG ARG 19 -9.287 -4.217 5.722
149 HG3 ARG 19 3HG ARG 19 -8.028 -4.754 4.607
150 HD2 ARG 19 2HD ARG 19 -7.295 -6.324 6.580
151 HD3 ARG 19 3HD ARG 19 -8.914 -6.004 7.211
152 HE ARG 19 HE ARG 19 -9.504 -6.804 4.740
153 HH11 ARG 19 1HH1 ARG 19 -7.249 -8.228 7.055
154 HH12 ARG 19 2HH1 ARG 19 -7.450 -9.837 6.442
155 HH21 ARG 19 1HH2 ARG 19 -9.734 -8.935 3.943
156 HH22 ARG 19 2HH2 ARG 19 -8.853 -10.232 4.683
157 H GLU 20 H GLU 20 -4.578 -2.688 5.486
158 HA GLU 20 HA GLU 20 -3.659 -1.790 7.956
159 HB2 GLU 20 2HB GLU 20 -2.478 -3.291 6.231
160 HB3 GLU 20 3HB GLU 20 -2.038 -1.824 5.367
161 HG2 GLU 20 2HG GLU 20 -0.162 -2.562 6.703
162 HG3 GLU 20 3HG GLU 20 -0.788 -1.053 7.368
163 H ILE 21 H ILE 21 -3.735 -0.164 4.820
164 HA ILE 21 HA ILE 21 -2.506 2.250 5.754
165 HB ILE 21 HB ILE 21 -3.979 1.775 3.132
166 HG12 ILE 21 2HG1 ILE 21 -2.121 0.165 3.342
167 HG13 ILE 21 3HG1 ILE 21 -1.728 1.368 2.127
168 HG21 ILE 21 1HG2 ILE 21 -3.713 4.158 3.641
169 HG22 ILE 21 2HG2 ILE 21 -2.654 3.703 2.310
170 HG23 ILE 21 3HG2 ILE 21 -1.985 3.928 3.922
171 HD11 ILE 21 3HD1 ILE 21 0.201 0.811 3.457
172 HD12 ILE 21 1HD1 ILE 21 -0.637 1.256 4.942
173 HD13 ILE 21 2HD1 ILE 21 -0.246 2.492 3.740
174 H ARG 22 H ARG 22 -5.848 1.126 5.247
175 HA ARG 22 HA ARG 22 -7.080 3.691 5.452
176 HB2 ARG 22 2HB ARG 22 -8.161 0.873 5.701
177 HB3 ARG 22 3HB ARG 22 -9.197 2.273 5.966
178 HG2 ARG 22 2HG ARG 22 -7.661 1.729 3.411
179 HG3 ARG 22 3HG ARG 22 -9.364 1.343 3.665
180 HD2 ARG 22 2HD ARG 22 -9.850 3.762 4.009
181 HD3 ARG 22 3HD ARG 22 -8.142 4.134 3.723
182 HE ARG 22 HE ARG 22 -9.096 2.660 1.533
183 HH11 ARG 22 1HH1 ARG 22 -9.598 5.853 2.947
184 HH12 ARG 22 2HH1 ARG 22 -10.009 6.579 1.431
185 HH21 ARG 22 1HH2 ARG 22 -9.606 3.635 -0.439
186 HH22 ARG 22 2HH2 ARG 22 -10.013 5.318 -0.480
187 H GLU 23 H GLU 23 -6.092 1.343 7.899
188 HA GLU 23 HA GLU 23 -7.761 2.347 10.034
189 HB2 GLU 23 2HB GLU 23 -5.295 0.556 10.101
190 HB3 GLU 23 3HB GLU 23 -6.306 0.906 11.499
191 HG2 GLU 23 2HG GLU 23 -8.195 -0.243 10.517
192 HG3 GLU 23 3HG GLU 23 -7.336 -0.453 8.989
193 H GLN 24 H GLN 24 -4.374 2.693 9.051
194 HA GLN 24 HA GLN 24 -3.679 4.497 11.205
195 HB2 GLN 24 2HB GLN 24 -2.097 3.801 8.693
196 HB3 GLN 24 3HB GLN 24 -1.462 4.569 10.145
197 HG2 GLN 24 2HG GLN 24 -1.884 2.520 11.439
198 HG3 GLN 24 3HG GLN 24 -2.590 1.750 10.018
199 HE21 GLN 24 1HE2 GLN 24 -1.090 0.062 9.966
200 HE22 GLN 24 2HE2 GLN 24 0.566 0.305 9.538
201 H TRP 25 H TRP 25 -4.016 4.799 7.657
202 HA TRP 25 HA TRP 25 -4.531 7.711 7.918
203 HB2 TRP 25 2HB TRP 25 -3.577 6.222 5.438
204 HB3 TRP 25 3HB TRP 25 -3.740 7.967 5.607
205 HD1 TRP 25 HD1 TRP 25 -1.819 9.244 7.045
206 HE1 TRP 25 HE1 TRP 25 0.561 8.530 7.701
207 HE3 TRP 25 HE3 TRP 25 -2.127 4.227 6.023
208 HZ2 TRP 25 HZ2 TRP 25 2.089 6.185 7.775
209 HZ3 TRP 25 HZ3 TRP 25 -0.150 2.818 6.408
210 HH2 TRP 25 HH2 TRP 25 1.925 3.779 7.268
211 HA PRO 26 HA PRO 26 -8.767 6.236 6.538
212 HB2 PRO 26 2HB PRO 26 -9.422 8.915 7.746
213 HB3 PRO 26 3HB PRO 26 -10.230 7.349 7.968
214 HG2 PRO 26 2HG PRO 26 -8.708 8.382 9.907
215 HG3 PRO 26 3HG PRO 26 -8.724 6.629 9.589
216 HD2 PRO 26 2HD PRO 26 -6.647 8.669 8.816
217 HD3 PRO 26 3HD PRO 26 -6.428 7.003 9.399
218 H LYS 27 H LYS 27 -7.197 9.425 6.318
219 HA LYS 27 HA LYS 27 -8.782 10.298 4.061
220 HB2 LYS 27 2HB LYS 27 -6.473 11.655 5.501
221 HB3 LYS 27 3HB LYS 27 -7.570 12.426 4.361
222 HG2 LYS 27 2HG LYS 27 -8.408 11.245 7.034
223 HG3 LYS 27 3HG LYS 27 -8.052 12.946 6.767
224 HD2 LYS 27 2HD LYS 27 -10.218 11.471 5.232
225 HD3 LYS 27 3HD LYS 27 -10.523 12.265 6.774
226 HE2 LYS 27 2HE LYS 27 -11.210 13.789 5.072
227 HE3 LYS 27 3HE LYS 27 -9.696 14.425 5.709
228 HZ1 LYS 27 3HZ LYS 27 -9.810 14.539 3.290
229 HZ2 LYS 27 1HZ LYS 27 -9.991 12.865 3.186
230 HZ3 LYS 27 2HZ LYS 27 -8.551 13.531 3.769
231 H ALA 28 H ALA 28 -7.074 7.992 3.476
232 HA ALA 28 HA ALA 28 -4.982 9.095 1.701
233 HB1 ALA 28 3HB ALA 28 -3.795 6.923 1.931
234 HB2 ALA 28 1HB ALA 28 -4.979 6.405 3.137
235 HB3 ALA 28 2HB ALA 28 -3.906 7.764 3.477
236 H THR 29 H THR 29 -5.606 8.750 -0.514
237 HA THR 29 HA THR 29 -7.857 7.147 -1.129
238 HB THR 29 HB THR 29 -5.711 8.187 -3.028
239 HG1 THR 29 HG1 THR 29 -7.287 9.593 -1.543
240 HG21 THR 29 3HG2 THR 29 -8.602 7.369 -3.596
241 HG22 THR 29 1HG2 THR 29 -7.167 6.442 -4.060
242 HG23 THR 29 2HG2 THR 29 -7.463 8.026 -4.773
243 H VAL 30 H VAL 30 -7.624 5.033 -0.555
244 HA VAL 30 HA VAL 30 -5.512 3.411 -1.830
245 HB VAL 30 HB VAL 30 -7.607 2.409 0.152
246 HG11 VAL 30 1HG1 VAL 30 -4.943 1.216 -0.704
247 HG12 VAL 30 2HG1 VAL 30 -6.532 0.668 -1.245
248 HG13 VAL 30 3HG1 VAL 30 -6.073 0.507 0.452
249 HG21 VAL 30 3HG2 VAL 30 -5.912 2.563 1.934
250 HG22 VAL 30 1HG2 VAL 30 -6.283 4.160 1.276
251 HG23 VAL 30 2HG2 VAL 30 -4.789 3.340 0.815
252 H THR 31 H THR 31 -6.045 2.021 -3.427
253 HA THR 31 HA THR 31 -8.860 1.853 -4.370
254 HB THR 31 HB THR 31 -6.316 2.089 -6.045
255 HG1 THR 31 HG1 THR 31 -6.620 4.116 -5.447
256 HG21 THR 31 3HG2 THR 31 -8.056 0.775 -7.205
257 HG22 THR 31 1HG2 THR 31 -7.795 2.335 -7.995
258 HG23 THR 31 2HG2 THR 31 -9.210 2.089 -6.970
259 H ARG 32 H ARG 32 -9.544 -0.296 -4.869
260 HA ARG 32 HA ARG 32 -7.643 -2.474 -4.541
261 HB2 ARG 32 2HB ARG 32 -9.831 -2.911 -3.625
262 HB3 ARG 32 3HB ARG 32 -10.632 -2.417 -5.116
263 HG2 ARG 32 2HG ARG 32 -9.773 -4.377 -6.285
264 HG3 ARG 32 3HG ARG 32 -8.808 -4.841 -4.886
265 HD2 ARG 32 2HD ARG 32 -11.835 -4.713 -4.930
266 HD3 ARG 32 3HD ARG 32 -10.887 -6.183 -5.170
267 HE ARG 32 HE ARG 32 -10.930 -4.589 -2.679
268 HH11 ARG 32 1HH1 ARG 32 -10.665 -7.712 -4.269
269 HH12 ARG 32 2HH1 ARG 32 -10.556 -8.596 -2.780
270 HH21 ARG 32 1HH2 ARG 32 -10.795 -5.748 -0.743
271 HH22 ARG 32 2HH2 ARG 32 -10.630 -7.474 -0.778
272 H THR 33 H THR 33 -6.424 -3.040 -6.202
273 HA THR 33 HA THR 33 -7.427 -3.081 -8.929
274 HB THR 33 HB THR 33 -4.880 -2.207 -9.469
275 HG1 THR 33 HG1 THR 33 -4.425 -1.742 -7.277
276 HG21 THR 33 3HG2 THR 33 -6.911 -1.248 -10.490
277 HG22 THR 33 1HG2 THR 33 -5.776 0.009 -9.988
278 HG23 THR 33 2HG2 THR 33 -7.214 -0.325 -9.015
279 H ASN 34 H ASN 34 -6.914 -5.010 -9.794
280 HA ASN 34 HA ASN 34 -5.659 -6.980 -8.092
281 HB2 ASN 34 2HB ASN 34 -6.871 -7.233 -10.887
282 HB3 ASN 34 3HB ASN 34 -6.317 -8.587 -9.904
283 HD21 ASN 34 1HD2 ASN 34 -8.798 -6.173 -10.320
284 HD22 ASN 34 2HD2 ASN 34 -9.914 -6.832 -9.176
285 H GLY 35 H GLY 35 -3.511 -7.146 -8.004
286 HA2 GLY 35 2HA GLY 35 -1.546 -8.134 -9.102
287 HA3 GLY 35 3HA GLY 35 -1.865 -7.109 -10.494
288 H ASP 36 H ASP 36 -2.086 -4.687 -9.790
289 HA ASP 36 HA ASP 36 0.134 -3.928 -7.951
290 HB2 ASP 36 2HB ASP 36 -1.161 -2.414 -10.279
291 HB3 ASP 36 3HB ASP 36 -0.030 -1.660 -9.158
292 H ILE 37 H ILE 37 -0.589 -3.012 -6.077
293 HA ILE 37 HA ILE 37 -3.377 -2.180 -5.763
294 HB ILE 37 HB ILE 37 -1.129 -2.460 -3.711
295 HG12 ILE 37 2HG1 ILE 37 -1.976 -4.630 -4.557
296 HG13 ILE 37 3HG1 ILE 37 -2.410 -4.412 -2.865
297 HG21 ILE 37 1HG2 ILE 37 -2.841 -2.091 -1.934
298 HG22 ILE 37 2HG2 ILE 37 -4.029 -1.697 -3.179
299 HG23 ILE 37 3HG2 ILE 37 -2.617 -0.665 -2.952
300 HD11 ILE 37 3HD1 ILE 37 -4.223 -5.392 -4.127
301 HD12 ILE 37 1HD1 ILE 37 -4.245 -4.019 -5.229
302 HD13 ILE 37 2HD1 ILE 37 -4.688 -3.799 -3.531
303 H LYS 38 H LYS 38 -3.910 -0.144 -6.150
304 HA LYS 38 HA LYS 38 -1.886 1.912 -6.512
305 HB2 LYS 38 2HB LYS 38 -4.839 1.692 -7.151
306 HB3 LYS 38 3HB LYS 38 -4.058 3.269 -7.178
307 HG2 LYS 38 2HG LYS 38 -3.138 0.893 -8.819
308 HG3 LYS 38 3HG LYS 38 -4.214 2.163 -9.420
309 HD2 LYS 38 2HD LYS 38 -2.409 3.853 -8.903
310 HD3 LYS 38 3HD LYS 38 -1.334 2.522 -8.465
311 HE2 LYS 38 2HE LYS 38 -1.442 1.658 -10.747
312 HE3 LYS 38 3HE LYS 38 -2.606 2.910 -11.190
313 HZ1 LYS 38 3HZ LYS 38 0.196 3.393 -10.317
314 HZ2 LYS 38 1HZ LYS 38 -0.923 4.583 -10.750
315 HZ3 LYS 38 2HZ LYS 38 -0.380 3.484 -11.903
316 H LEU 39 H LEU 39 -1.257 3.005 -4.870
317 HA LEU 39 HA LEU 39 -3.099 3.937 -2.777
318 HB2 LEU 39 2HB LEU 39 -1.702 2.166 -1.847
319 HB3 LEU 39 3HB LEU 39 -0.247 2.904 -2.494
320 HG LEU 39 HG LEU 39 -0.426 4.775 -0.907
321 HD11 LEU 39 1HD1 LEU 39 -2.160 4.850 0.832
322 HD12 LEU 39 2HD1 LEU 39 -2.972 3.468 0.092
323 HD13 LEU 39 3HD1 LEU 39 -2.853 4.997 -0.784
324 HD21 LEU 39 3HD2 LEU 39 -0.043 3.552 1.191
325 HD22 LEU 39 1HD2 LEU 39 0.766 2.775 -0.172
326 HD23 LEU 39 2HD2 LEU 39 -0.731 2.094 0.471
327 H ASP 40 H ASP 40 -2.934 6.068 -2.319
328 HA ASP 40 HA ASP 40 -1.007 7.733 -3.823
329 HB2 ASP 40 2HB ASP 40 -3.306 8.187 -4.471
330 HB3 ASP 40 3HB ASP 40 -3.819 8.282 -2.789
331 H ALA 41 H ALA 41 0.585 8.443 -2.592
332 HA ALA 41 HA ALA 41 0.218 8.997 0.282
333 HB1 ALA 41 3HB ALA 41 2.171 7.674 -0.321
334 HB2 ALA 41 1HB ALA 41 2.678 9.225 0.349
335 HB3 ALA 41 2HB ALA 41 2.743 8.948 -1.393
336 H GLN 42 H GLN 42 0.355 10.995 1.163
337 HA GLN 42 HA GLN 42 -0.348 13.231 -0.424
338 HB2 GLN 42 2HB GLN 42 -1.093 12.851 1.939
339 HB3 GLN 42 3HB GLN 42 0.539 13.211 2.493
340 HG2 GLN 42 2HG GLN 42 0.319 15.515 1.552
341 HG3 GLN 42 3HG GLN 42 -1.329 15.132 1.049
342 HE21 GLN 42 1HE2 GLN 42 -2.241 16.764 2.326
343 HE22 GLN 42 2HE2 GLN 42 -2.294 16.669 4.050
344 H THR 43 H THR 43 2.598 12.357 1.307
345 HA THR 43 HA THR 43 4.216 14.023 -0.506
346 HB THR 43 HB THR 43 5.784 14.537 1.405
347 HG1 THR 43 HG1 THR 43 3.682 13.791 3.152
348 HG21 THR 43 3HG2 THR 43 4.473 16.343 2.450
349 HG22 THR 43 1HG2 THR 43 2.974 15.612 1.867
350 HG23 THR 43 2HG2 THR 43 4.139 16.277 0.718
351 H GLU 44 H GLU 44 6.638 13.323 -0.110
352 HA GLU 44 HA GLU 44 6.842 10.518 -0.693
353 HB2 GLU 44 2HB GLU 44 9.032 12.587 -0.239
354 HB3 GLU 44 3HB GLU 44 9.252 10.991 -0.961
355 HG2 GLU 44 2HG GLU 44 7.852 11.605 -2.865
356 HG3 GLU 44 3HG GLU 44 7.493 13.171 -2.124
357 H LYS 45 H LYS 45 7.494 12.560 2.111
358 HA LYS 45 HA LYS 45 8.768 10.621 3.754
359 HB2 LYS 45 2HB LYS 45 8.832 13.067 4.201
360 HB3 LYS 45 3HB LYS 45 7.108 13.051 4.552
361 HG2 LYS 45 2HG LYS 45 7.565 11.517 6.490
362 HG3 LYS 45 3HG LYS 45 9.289 11.652 6.150
363 HD2 LYS 45 2HD LYS 45 7.447 13.938 6.946
364 HD3 LYS 45 3HD LYS 45 8.613 13.143 8.002
365 HE2 LYS 45 2HE LYS 45 10.448 13.932 6.505
366 HE3 LYS 45 3HE LYS 45 9.249 14.790 5.532
367 HZ1 LYS 45 3HZ LYS 45 9.819 15.278 8.404
368 HZ2 LYS 45 1HZ LYS 45 8.678 16.105 7.474
369 HZ3 LYS 45 2HZ LYS 45 10.320 16.250 7.119
370 H GLU 46 H GLU 46 5.395 11.652 3.352
371 HA GLU 46 HA GLU 46 4.105 9.856 5.032
372 HB2 GLU 46 2HB GLU 46 3.111 11.827 3.681
373 HB3 GLU 46 3HB GLU 46 2.984 10.704 2.334
374 HG2 GLU 46 2HG GLU 46 0.841 10.797 3.422
375 HG3 GLU 46 3HG GLU 46 1.555 9.224 3.793
376 H ALA 47 H ALA 47 5.115 9.454 1.643
377 HA ALA 47 HA ALA 47 4.166 6.907 1.118
378 HB1 ALA 47 3HB ALA 47 6.720 8.135 0.056
379 HB2 ALA 47 1HB ALA 47 5.101 8.398 -0.594
380 HB3 ALA 47 2HB ALA 47 5.827 6.790 -0.662
381 H GLU 48 H GLU 48 7.120 7.865 2.841
382 HA GLU 48 HA GLU 48 8.417 5.370 2.932
383 HB2 GLU 48 2HB GLU 48 8.518 7.750 4.828
384 HB3 GLU 48 3HB GLU 48 9.562 6.343 5.007
385 HG2 GLU 48 2HG GLU 48 9.469 8.193 2.611
386 HG3 GLU 48 3HG GLU 48 10.707 8.186 3.868
387 H LYS 49 H LYS 49 5.916 6.762 5.008
388 HA LYS 49 HA LYS 49 5.994 4.693 7.024
389 HB2 LYS 49 2HB LYS 49 3.869 6.792 6.411
390 HB3 LYS 49 3HB LYS 49 3.921 5.780 7.852
391 HG2 LYS 49 2HG LYS 49 6.048 6.849 8.526
392 HG3 LYS 49 3HG LYS 49 5.978 7.870 7.084
393 HD2 LYS 49 2HD LYS 49 5.164 9.084 9.064
394 HD3 LYS 49 3HD LYS 49 3.881 8.881 7.875
395 HE2 LYS 49 2HE LYS 49 3.051 8.502 10.161
396 HE3 LYS 49 3HE LYS 49 2.943 7.022 9.202
397 HZ1 LYS 49 3HZ LYS 49 5.071 7.663 11.184
398 HZ2 LYS 49 1HZ LYS 49 4.982 6.246 10.269
399 HZ3 LYS 49 2HZ LYS 49 3.792 6.584 11.416
400 H MET 50 H MET 50 3.822 5.630 4.465
401 HA MET 50 HA MET 50 1.881 3.647 4.552
402 HB2 MET 50 2HB MET 50 2.874 5.226 2.165
403 HB3 MET 50 3HB MET 50 1.513 4.114 2.057
404 HG2 MET 50 2HG MET 50 0.351 5.414 3.831
405 HG3 MET 50 3HG MET 50 1.682 6.578 3.802
406 HE1 MET 50 3HE MET 50 -1.372 8.381 2.012
407 HE2 MET 50 1HE MET 50 -0.304 8.417 3.414
408 HE3 MET 50 2HE MET 50 -1.532 7.156 3.271
409 H GLU 51 H GLU 51 4.713 3.563 2.311
410 HA GLU 51 HA GLU 51 4.443 0.922 1.474
411 HB2 GLU 51 2HB GLU 51 6.734 1.010 0.691
412 HB3 GLU 51 3HB GLU 51 6.014 2.596 0.432
413 HG2 GLU 51 2HG GLU 51 7.200 3.535 2.264
414 HG3 GLU 51 3HG GLU 51 7.736 1.967 2.850
415 H LYS 52 H LYS 52 5.757 2.166 4.464
416 HA LYS 52 HA LYS 52 7.352 -0.074 5.238
417 HB2 LYS 52 2HB LYS 52 7.557 2.288 6.109
418 HB3 LYS 52 3HB LYS 52 6.102 2.019 7.060
419 HG2 LYS 52 2HG LYS 52 7.257 0.237 8.319
420 HG3 LYS 52 3HG LYS 52 8.700 0.468 7.331
421 HD2 LYS 52 2HD LYS 52 7.481 2.423 9.305
422 HD3 LYS 52 3HD LYS 52 9.038 1.609 9.435
423 HE2 LYS 52 2HE LYS 52 8.282 3.773 7.439
424 HE3 LYS 52 3HE LYS 52 9.374 3.939 8.811
425 HZ1 LYS 52 3HZ LYS 52 10.873 2.358 7.737
426 HZ2 LYS 52 1HZ LYS 52 10.599 3.709 6.762
427 HZ3 LYS 52 2HZ LYS 52 9.833 2.246 6.414
428 H ALA 53 H ALA 53 4.050 0.991 5.964
429 HA ALA 53 HA ALA 53 3.339 -1.063 7.790
430 HB1 ALA 53 3HB ALA 53 1.034 -0.268 7.451
431 HB2 ALA 53 1HB ALA 53 1.555 0.671 6.048
432 HB3 ALA 53 2HB ALA 53 2.144 1.088 7.659
433 H VAL 54 H VAL 54 2.954 -0.686 4.266
434 HA VAL 54 HA VAL 54 1.746 -3.079 3.563
435 HB VAL 54 HB VAL 54 3.903 -1.463 2.138
436 HG11 VAL 54 1HG1 VAL 54 2.196 -3.664 0.940
437 HG12 VAL 54 2HG1 VAL 54 3.938 -3.727 1.206
438 HG13 VAL 54 3HG1 VAL 54 3.266 -2.588 0.041
439 HG21 VAL 54 3HG2 VAL 54 2.042 -0.540 0.802
440 HG22 VAL 54 1HG2 VAL 54 1.812 -0.224 2.524
441 HG23 VAL 54 2HG2 VAL 54 0.892 -1.504 1.732
442 H LYS 55 H LYS 55 5.252 -2.423 3.817
443 HA LYS 55 HA LYS 55 6.208 -4.992 3.294
444 HB2 LYS 55 2HB LYS 55 7.501 -2.696 4.819
445 HB3 LYS 55 3HB LYS 55 8.371 -4.160 4.354
446 HG2 LYS 55 2HG LYS 55 7.998 -3.693 1.993
447 HG3 LYS 55 3HG LYS 55 6.986 -2.304 2.390
448 HD2 LYS 55 2HD LYS 55 8.960 -1.177 3.415
449 HD3 LYS 55 3HD LYS 55 9.969 -2.554 2.965
450 HE2 LYS 55 2HE LYS 55 9.412 -2.104 0.563
451 HE3 LYS 55 3HE LYS 55 8.515 -0.677 1.068
452 HZ1 LYS 55 3HZ LYS 55 11.428 -1.105 1.485
453 HZ2 LYS 55 1HZ LYS 55 10.557 0.280 1.912
454 HZ3 LYS 55 2HZ LYS 55 10.741 -0.140 0.285
455 H LYS 56 H LYS 56 4.894 -3.723 6.271
456 HA LYS 56 HA LYS 56 5.904 -5.785 8.001
457 HB2 LYS 56 2HB LYS 56 3.468 -3.989 8.408
458 HB3 LYS 56 3HB LYS 56 4.240 -4.969 9.650
459 HG2 LYS 56 2HG LYS 56 5.423 -2.570 8.232
460 HG3 LYS 56 3HG LYS 56 4.901 -2.647 9.912
461 HD2 LYS 56 2HD LYS 56 6.716 -4.283 10.391
462 HD3 LYS 56 3HD LYS 56 7.223 -4.212 8.701
463 HE2 LYS 56 2HE LYS 56 7.791 -1.831 8.967
464 HE3 LYS 56 3HE LYS 56 7.261 -1.882 10.651
465 HZ1 LYS 56 3HZ LYS 56 8.993 -3.551 11.071
466 HZ2 LYS 56 1HZ LYS 56 9.642 -2.095 10.515
467 HZ3 LYS 56 2HZ LYS 56 9.518 -3.414 9.473
468 H VAL 57 H VAL 57 3.234 -5.593 5.774
469 HA VAL 57 HA VAL 57 1.932 -8.062 6.677
470 HB VAL 57 HB VAL 57 1.377 -6.316 4.220
471 HG11 VAL 57 1HG1 VAL 57 -0.800 -7.481 4.078
472 HG12 VAL 57 2HG1 VAL 57 -0.326 -8.539 5.407
473 HG13 VAL 57 3HG1 VAL 57 0.546 -8.606 3.874
474 HG21 VAL 57 3HG2 VAL 57 0.954 -5.059 6.287
475 HG22 VAL 57 1HG2 VAL 57 -0.067 -6.367 6.897
476 HG23 VAL 57 2HG2 VAL 57 -0.569 -5.442 5.479
477 H LYS 58 H LYS 58 4.323 -7.021 4.351
478 HA LYS 58 HA LYS 58 4.677 -9.685 3.243
479 HB2 LYS 58 2HB LYS 58 4.545 -8.790 0.825
480 HB3 LYS 58 3HB LYS 58 3.024 -9.061 1.661
481 HG2 LYS 58 2HG LYS 58 2.941 -6.584 2.160
482 HG3 LYS 58 3HG LYS 58 4.363 -6.388 1.143
483 HD2 LYS 58 2HD LYS 58 1.759 -7.580 0.123
484 HD3 LYS 58 3HD LYS 58 2.104 -5.856 0.069
485 HE2 LYS 58 2HE LYS 58 2.639 -6.630 -2.085
486 HE3 LYS 58 3HE LYS 58 4.196 -6.488 -1.291
487 HZ1 LYS 58 3HZ LYS 58 4.095 -8.505 -2.538
488 HZ2 LYS 58 1HZ LYS 58 2.673 -8.980 -1.765
489 HZ3 LYS 58 2HZ LYS 58 4.119 -8.904 -0.896
490 HA PRO 59 HA PRO 59 8.852 -7.753 3.958
491 HB2 PRO 59 2HB PRO 59 9.535 -10.646 3.408
492 HB3 PRO 59 3HB PRO 59 10.144 -9.565 4.683
493 HG2 PRO 59 2HG PRO 59 8.363 -11.422 5.298
494 HG3 PRO 59 3HG PRO 59 8.217 -9.789 5.992
495 HD2 PRO 59 2HD PRO 59 6.650 -11.019 3.726
496 HD3 PRO 59 3HD PRO 59 6.084 -9.974 5.052
497 H ASN 60 H ASN 60 7.813 -9.890 1.335
498 HA ASN 60 HA ASN 60 10.010 -9.136 -0.442
499 HB2 ASN 60 2HB ASN 60 7.663 -11.041 -0.803
500 HB3 ASN 60 3HB ASN 60 8.890 -10.746 -2.034
501 HD21 ASN 60 1HD2 ASN 60 9.998 -12.595 -2.118
502 HD22 ASN 60 2HD2 ASN 60 10.729 -13.384 -0.769
503 H ALA 61 H ALA 61 7.757 -7.220 0.438
504 HA ALA 61 HA ALA 61 5.976 -6.620 -1.593
505 HB1 ALA 61 3HB ALA 61 5.886 -5.618 0.659
506 HB2 ALA 61 1HB ALA 61 5.802 -4.380 -0.594
507 HB3 ALA 61 2HB ALA 61 7.308 -4.642 0.295
508 H THR 62 H THR 62 6.489 -6.310 -3.705
509 HA THR 62 HA THR 62 8.723 -4.602 -4.505
510 HB THR 62 HB THR 62 6.604 -5.998 -6.198
511 HG1 THR 62 HG1 THR 62 8.607 -7.324 -6.665
512 HG21 THR 62 3HG2 THR 62 9.237 -4.735 -7.041
513 HG22 THR 62 1HG2 THR 62 7.630 -4.079 -7.387
514 HG23 THR 62 2HG2 THR 62 8.128 -5.619 -8.087
515 H ILE 63 H ILE 63 8.270 -2.524 -3.991
516 HA ILE 63 HA ILE 63 5.618 -1.350 -4.601
517 HB ILE 63 HB ILE 63 7.693 -0.501 -2.514
518 HG12 ILE 63 2HG1 ILE 63 4.888 -1.596 -2.101
519 HG13 ILE 63 3HG1 ILE 63 6.329 -2.600 -2.031
520 HG21 ILE 63 1HG2 ILE 63 4.980 0.741 -3.119
521 HG22 ILE 63 2HG2 ILE 63 6.548 1.493 -3.419
522 HG23 ILE 63 3HG2 ILE 63 6.021 1.180 -1.763
523 HD11 ILE 63 3HD1 ILE 63 5.605 -2.092 0.160
524 HD12 ILE 63 1HD1 ILE 63 5.565 -0.362 -0.179
525 HD13 ILE 63 2HD1 ILE 63 7.105 -1.222 -0.141
526 H ARG 64 H ARG 64 5.558 0.162 -6.127
527 HA ARG 64 HA ARG 64 8.071 1.112 -7.364
528 HB2 ARG 64 2HB ARG 64 5.374 0.627 -8.728
529 HB3 ARG 64 3HB ARG 64 6.859 1.166 -9.513
530 HG2 ARG 64 2HG ARG 64 7.925 -1.015 -8.819
531 HG3 ARG 64 3HG ARG 64 6.340 -1.550 -8.257
532 HD2 ARG 64 2HD ARG 64 6.723 -2.448 -10.469
533 HD3 ARG 64 3HD ARG 64 5.468 -1.210 -10.576
534 HE ARG 64 HE ARG 64 7.818 0.111 -11.100
535 HH11 ARG 64 1HH1 ARG 64 6.140 -2.586 -12.640
536 HH12 ARG 64 2HH1 ARG 64 6.786 -2.224 -14.210
537 HH21 ARG 64 1HH2 ARG 64 8.684 0.524 -13.141
538 HH22 ARG 64 2HH2 ARG 64 8.223 -0.470 -14.492
539 H LYS 65 H LYS 65 8.314 3.285 -7.362
540 HA LYS 65 HA LYS 65 6.103 4.925 -6.255
541 HB2 LYS 65 2HB LYS 65 9.074 5.190 -5.645
542 HB3 LYS 65 3HB LYS 65 7.757 6.095 -4.897
543 HG2 LYS 65 2HG LYS 65 6.933 4.086 -3.799
544 HG3 LYS 65 3HG LYS 65 8.109 3.090 -4.655
545 HD2 LYS 65 2HD LYS 65 8.829 3.490 -2.342
546 HD3 LYS 65 3HD LYS 65 9.951 4.233 -3.484
547 HE2 LYS 65 2HE LYS 65 8.918 6.442 -3.062
548 HE3 LYS 65 3HE LYS 65 7.771 5.691 -1.945
549 HZ1 LYS 65 3HZ LYS 65 10.723 5.718 -1.615
550 HZ2 LYS 65 1HZ LYS 65 9.612 5.035 -0.544
551 HZ3 LYS 65 2HZ LYS 65 9.627 6.697 -0.777
552 H THR 66 H THR 66 5.600 6.691 -7.403
553 HA THR 66 HA THR 66 7.721 8.168 -8.849
554 HB THR 66 HB THR 66 4.822 7.851 -9.801
555 HG1 THR 66 HG1 THR 66 7.102 6.391 -10.301
556 HG21 THR 66 3HG2 THR 66 5.762 10.051 -10.412
557 HG22 THR 66 1HG2 THR 66 5.603 9.029 -11.846
558 HG23 THR 66 2HG2 THR 66 7.184 9.261 -11.097
559 H GLY 67 H GLY 67 7.910 10.164 -7.890
560 HA2 GLY 67 2HA GLY 67 5.545 11.524 -6.794
561 HA3 GLY 67 3HA GLY 67 6.799 11.069 -5.645
562 H GLY 68 H GLY 68 8.694 12.243 -5.549
563 HA2 GLY 68 2HA GLY 68 8.689 14.905 -6.582
564 HA3 GLY 68 3HA GLY 68 9.979 14.128 -5.676
565 H SER 69 H SER 69 8.777 14.918 -8.826
566 HA SER 69 HA SER 69 10.657 13.544 -10.429
567 HB2 SER 69 2HB SER 69 9.999 15.291 -12.172
568 HB3 SER 69 3HB SER 69 8.636 14.426 -11.459
569 HG SER 69 HG SER 69 8.108 16.568 -11.422
570 H LEU 70 H LEU 70 12.251 14.836 -11.852
571 HA LEU 70 HA LEU 70 14.149 16.160 -10.047
572 HB2 LEU 70 2HB LEU 70 14.531 15.153 -12.894
573 HB3 LEU 70 3HB LEU 70 15.800 15.672 -11.799
574 HG LEU 70 HG LEU 70 14.064 13.184 -11.474
575 HD11 LEU 70 1HD1 LEU 70 16.125 11.915 -11.850
576 HD12 LEU 70 2HD1 LEU 70 17.026 13.414 -12.098
577 HD13 LEU 70 3HD1 LEU 70 15.758 12.945 -13.233
578 HD21 LEU 70 3HD2 LEU 70 15.460 12.633 -9.521
579 HD22 LEU 70 1HD2 LEU 70 14.573 14.137 -9.275
580 HD23 LEU 70 2HD2 LEU 70 16.293 14.184 -9.668
581 H GLU 71 H GLU 71 11.739 17.560 -11.101
582 HA GLU 71 HA GLU 71 12.556 19.457 -13.097
583 HB2 GLU 71 2HB GLU 71 10.103 19.349 -11.294
584 HB3 GLU 71 3HB GLU 71 10.334 20.526 -12.577
585 HG2 GLU 71 2HG GLU 71 10.171 17.529 -12.984
586 HG3 GLU 71 3HG GLU 71 8.844 18.665 -13.225
587 H HIS 72 H HIS 72 12.258 19.472 -9.543
588 HA HIS 72 HA HIS 72 12.598 22.295 -9.206
589 HB2 HIS 72 2HB HIS 72 12.802 19.995 -7.221
590 HB3 HIS 72 3HB HIS 72 13.015 21.678 -6.756
591 HD1 HIS 72 HD1 HIS 72 10.548 19.248 -6.541
592 HD2 HIS 72 HD2 HIS 72 10.514 23.187 -7.849
593 HE1 HIS 72 HE1 HIS 72 8.174 20.009 -6.349
594 HE2 HIS 72 HE2 HIS 72 8.231 22.441 -6.931
595 H HIS 73 H HIS 73 14.427 22.717 -10.496
596 HA HIS 73 HA HIS 73 17.084 21.832 -9.650
597 HB2 HIS 73 2HB HIS 73 16.286 23.893 -11.770
598 HB3 HIS 73 3HB HIS 73 17.886 23.182 -11.558
599 HD1 HIS 73 HD1 HIS 73 15.134 22.878 -13.714
600 HD2 HIS 73 HD2 HIS 73 17.528 20.113 -11.751
601 HE1 HIS 73 HE1 HIS 73 14.838 20.718 -14.962
602 HE2 HIS 73 HE2 HIS 73 16.096 19.030 -13.599
603 H HIS 74 H HIS 74 17.904 22.761 -7.870
604 HA HIS 74 HA HIS 74 16.626 24.909 -6.535
605 HB2 HIS 74 2HB HIS 74 19.314 23.637 -5.877
606 HB3 HIS 74 3HB HIS 74 18.326 24.599 -4.781
607 HD1 HIS 74 HD1 HIS 74 19.207 21.308 -5.104
608 HD2 HIS 74 HD2 HIS 74 15.484 23.142 -4.856
609 HE1 HIS 74 HE1 HIS 74 17.635 19.541 -4.292
610 HE2 HIS 74 HE2 HIS 74 15.373 20.632 -4.292
611 H HIS 75 H HIS 75 16.710 26.682 -7.922
612 HA HIS 75 HA HIS 75 18.857 28.493 -7.476
613 HB2 HIS 75 2HB HIS 75 19.848 27.137 -9.358
614 HB3 HIS 75 3HB HIS 75 18.468 27.573 -10.367
615 HD1 HIS 75 HD1 HIS 75 21.485 29.104 -8.676
616 HD2 HIS 75 HD2 HIS 75 18.700 30.055 -11.605
617 HE1 HIS 75 HE1 HIS 75 22.297 31.236 -9.719
618 HE2 HIS 75 HE2 HIS 75 20.631 31.748 -11.527
619 H HIS 76 H HIS 76 17.326 29.869 -6.714
620 HA HIS 76 HA HIS 76 15.075 30.717 -8.337
621 HB2 HIS 76 2HB HIS 76 14.625 32.336 -6.485
622 HB3 HIS 76 3HB HIS 76 14.727 30.673 -5.924
623 HD1 HIS 76 HD1 HIS 76 16.632 30.080 -4.293
624 HD2 HIS 76 HD2 HIS 76 16.717 34.046 -5.531
625 HE1 HIS 76 HE1 HIS 76 18.291 31.225 -2.811
626 HE2 HIS 76 HE2 HIS 76 18.220 33.635 -3.492
627 H HIS 77 H HIS 77 15.109 32.349 -9.768
628 HA HIS 77 HA HIS 77 17.360 34.283 -9.740
629 HB2 HIS 77 2HB HIS 77 17.619 32.745 -11.647
630 HB3 HIS 77 3HB HIS 77 15.972 33.066 -12.174
631 HD1 HIS 77 HD1 HIS 77 16.120 34.402 -14.260
632 HD2 HIS 77 HD2 HIS 77 18.951 35.633 -11.480
633 HE1 HIS 77 HE1 HIS 77 17.280 36.375 -15.296
634 HE2 HIS 77 HE2 HIS 77 18.956 37.111 -13.581
Start of MODEL 16
1 H1 MET 1 1H MET 1 2.116 15.102 -3.310
2 H2 MET 1 2H MET 1 2.858 14.659 -4.759
3 H3 MET 1 3H MET 1 3.372 13.969 -3.308
4 HA MET 1 HA MET 1 1.262 12.885 -3.011
5 HB2 MET 1 2HB MET 1 0.602 14.008 -5.772
6 HB3 MET 1 3HB MET 1 -0.385 12.844 -4.893
7 HG2 MET 1 2HG MET 1 -0.836 14.513 -3.163
8 HG3 MET 1 3HG MET 1 0.193 15.679 -4.006
9 HE1 MET 1 3HE MET 1 -1.869 16.090 -7.412
10 HE2 MET 1 1HE MET 1 -0.596 14.913 -7.100
11 HE3 MET 1 2HE MET 1 -0.403 16.579 -6.557
12 H VAL 2 H VAL 2 2.269 10.949 -3.071
13 HA VAL 2 HA VAL 2 3.740 10.095 -5.493
14 HB VAL 2 HB VAL 2 3.831 8.778 -2.743
15 HG11 VAL 2 1HG1 VAL 2 4.669 7.382 -4.594
16 HG12 VAL 2 2HG1 VAL 2 5.988 7.839 -3.513
17 HG13 VAL 2 3HG1 VAL 2 5.794 8.658 -5.066
18 HG21 VAL 2 3HG2 VAL 2 5.689 10.970 -3.751
19 HG22 VAL 2 1HG2 VAL 2 5.902 10.044 -2.261
20 HG23 VAL 2 2HG2 VAL 2 4.517 11.123 -2.439
21 H ASP 3 H ASP 3 3.195 8.193 -6.549
22 HA ASP 3 HA ASP 3 0.790 6.716 -5.645
23 HB2 ASP 3 2HB ASP 3 0.392 7.633 -7.842
24 HB3 ASP 3 3HB ASP 3 1.960 7.088 -8.427
25 H LEU 4 H LEU 4 1.349 4.996 -4.574
26 HA LEU 4 HA LEU 4 3.846 3.527 -5.066
27 HB2 LEU 4 2HB LEU 4 1.781 3.187 -2.842
28 HB3 LEU 4 3HB LEU 4 3.385 2.466 -2.896
29 HG LEU 4 HG LEU 4 2.786 5.441 -2.582
30 HD11 LEU 4 1HD1 LEU 4 3.762 3.440 -0.525
31 HD12 LEU 4 2HD1 LEU 4 2.170 4.200 -0.582
32 HD13 LEU 4 3HD1 LEU 4 3.600 5.184 -0.280
33 HD21 LEU 4 3HD2 LEU 4 5.467 4.017 -2.448
34 HD22 LEU 4 1HD2 LEU 4 5.177 5.734 -2.155
35 HD23 LEU 4 2HD2 LEU 4 4.918 5.061 -3.762
36 H LYS 5 H LYS 5 3.628 1.940 -6.553
37 HA LYS 5 HA LYS 5 1.161 0.328 -6.748
38 HB2 LYS 5 2HB LYS 5 3.607 0.479 -8.554
39 HB3 LYS 5 3HB LYS 5 2.355 -0.748 -8.736
40 HG2 LYS 5 2HG LYS 5 0.686 1.026 -9.169
41 HG3 LYS 5 3HG LYS 5 1.951 2.252 -9.012
42 HD2 LYS 5 2HD LYS 5 3.150 1.261 -10.946
43 HD3 LYS 5 3HD LYS 5 1.905 0.018 -11.093
44 HE2 LYS 5 2HE LYS 5 1.525 1.735 -12.774
45 HE3 LYS 5 3HE LYS 5 0.234 1.815 -11.577
46 HZ1 LYS 5 3HZ LYS 5 2.580 3.614 -11.777
47 HZ2 LYS 5 1HZ LYS 5 1.459 3.649 -10.512
48 HZ3 LYS 5 2HZ LYS 5 0.969 4.014 -12.083
49 H ILE 6 H ILE 6 1.117 -1.345 -5.375
50 HA ILE 6 HA ILE 6 3.635 -2.658 -4.532
51 HB ILE 6 HB ILE 6 0.878 -2.794 -3.191
52 HG12 ILE 6 2HG1 ILE 6 2.228 -1.742 -1.198
53 HG13 ILE 6 3HG1 ILE 6 3.437 -1.327 -2.401
54 HG21 ILE 6 1HG2 ILE 6 1.995 -4.136 -1.412
55 HG22 ILE 6 2HG2 ILE 6 3.484 -4.139 -2.358
56 HG23 ILE 6 3HG2 ILE 6 2.043 -4.944 -2.980
57 HD11 ILE 6 3HD1 ILE 6 2.019 0.555 -1.902
58 HD12 ILE 6 1HD1 ILE 6 0.580 -0.365 -2.347
59 HD13 ILE 6 2HD1 ILE 6 1.784 0.046 -3.573
60 H ASP 7 H ASP 7 4.053 -4.436 -5.772
61 HA ASP 7 HA ASP 7 2.174 -5.908 -7.288
62 HB2 ASP 7 2HB ASP 7 4.852 -6.824 -6.127
63 HB3 ASP 7 3HB ASP 7 3.934 -7.720 -7.333
64 H VAL 8 H VAL 8 0.723 -7.528 -6.695
65 HA VAL 8 HA VAL 8 1.012 -8.834 -4.106
66 HB VAL 8 HB VAL 8 -1.497 -8.682 -3.710
67 HG11 VAL 8 1HG1 VAL 8 0.065 -7.343 -2.375
68 HG12 VAL 8 2HG1 VAL 8 -1.432 -6.451 -2.649
69 HG13 VAL 8 3HG1 VAL 8 0.018 -6.045 -3.574
70 HG21 VAL 8 3HG2 VAL 8 -2.778 -6.836 -4.738
71 HG22 VAL 8 1HG2 VAL 8 -2.229 -7.985 -5.958
72 HG23 VAL 8 2HG2 VAL 8 -1.399 -6.439 -5.768
73 H SER 9 H SER 9 0.955 -10.861 -4.385
74 HA SER 9 HA SER 9 0.234 -12.092 -6.938
75 HB2 SER 9 2HB SER 9 2.393 -12.622 -5.843
76 HB3 SER 9 3HB SER 9 1.540 -13.284 -4.453
77 HG SER 9 HG SER 9 0.744 -14.379 -6.831
78 H ASP 10 H ASP 10 -1.615 -11.311 -4.384
79 HA ASP 10 HA ASP 10 -3.508 -13.507 -4.722
80 HB2 ASP 10 2HB ASP 10 -1.898 -14.240 -2.908
81 HB3 ASP 10 3HB ASP 10 -2.361 -12.828 -1.964
82 H ASP 11 H ASP 11 -5.599 -13.010 -3.695
83 HA ASP 11 HA ASP 11 -6.265 -10.203 -4.167
84 HB2 ASP 11 2HB ASP 11 -7.665 -11.907 -5.240
85 HB3 ASP 11 3HB ASP 11 -8.021 -12.651 -3.682
86 H GLU 12 H GLU 12 -6.351 -12.594 -1.585
87 HA GLU 12 HA GLU 12 -7.734 -10.977 0.345
88 HB2 GLU 12 2HB GLU 12 -7.743 -13.514 0.224
89 HB3 GLU 12 3HB GLU 12 -6.073 -13.508 0.768
90 HG2 GLU 12 2HG GLU 12 -8.295 -12.285 2.428
91 HG3 GLU 12 3HG GLU 12 -7.955 -14.010 2.477
92 H GLU 13 H GLU 13 -4.322 -11.961 -0.170
93 HA GLU 13 HA GLU 13 -3.117 -10.396 1.806
94 HB2 GLU 13 2HB GLU 13 -2.023 -12.282 0.653
95 HB3 GLU 13 3HB GLU 13 -1.996 -11.370 -0.847
96 HG2 GLU 13 2HG GLU 13 0.217 -11.440 0.302
97 HG3 GLU 13 3HG GLU 13 -0.381 -9.807 0.030
98 H ALA 14 H ALA 14 -4.345 -9.455 -1.322
99 HA ALA 14 HA ALA 14 -3.100 -6.890 -1.484
100 HB1 ALA 14 3HB ALA 14 -5.720 -7.837 -2.703
101 HB2 ALA 14 1HB ALA 14 -4.123 -7.999 -3.440
102 HB3 ALA 14 2HB ALA 14 -4.812 -6.397 -3.177
103 H GLU 15 H GLU 15 -6.172 -8.085 -0.116
104 HA GLU 15 HA GLU 15 -7.247 -5.572 0.683
105 HB2 GLU 15 2HB GLU 15 -7.847 -8.352 1.761
106 HB3 GLU 15 3HB GLU 15 -8.827 -6.913 2.060
107 HG2 GLU 15 2HG GLU 15 -9.374 -6.755 -0.319
108 HG3 GLU 15 3HG GLU 15 -8.314 -8.121 -0.677
109 H LYS 16 H LYS 16 -4.955 -7.757 2.192
110 HA LYS 16 HA LYS 16 -4.885 -6.900 4.847
111 HB2 LYS 16 2HB LYS 16 -2.523 -7.569 3.032
112 HB3 LYS 16 3HB LYS 16 -2.414 -7.409 4.783
113 HG2 LYS 16 2HG LYS 16 -4.022 -9.499 3.293
114 HG3 LYS 16 3HG LYS 16 -2.426 -9.739 4.012
115 HD2 LYS 16 2HD LYS 16 -3.839 -8.831 6.200
116 HD3 LYS 16 3HD LYS 16 -5.124 -9.642 5.299
117 HE2 LYS 16 2HE LYS 16 -2.561 -10.834 6.406
118 HE3 LYS 16 3HE LYS 16 -4.231 -11.285 6.771
119 HZ1 LYS 16 3HZ LYS 16 -4.434 -12.112 4.480
120 HZ2 LYS 16 1HZ LYS 16 -3.212 -12.911 5.333
121 HZ3 LYS 16 2HZ LYS 16 -2.809 -11.736 4.188
122 H ILE 17 H ILE 17 -3.294 -5.565 1.998
123 HA ILE 17 HA ILE 17 -1.740 -3.580 3.309
124 HB ILE 17 HB ILE 17 -2.546 -3.706 0.368
125 HG12 ILE 17 2HG1 ILE 17 -1.572 -5.850 0.854
126 HG13 ILE 17 3HG1 ILE 17 -0.297 -4.919 0.076
127 HG21 ILE 17 1HG2 ILE 17 -0.453 -2.453 -0.063
128 HG22 ILE 17 2HG2 ILE 17 -0.165 -2.352 1.676
129 HG23 ILE 17 3HG2 ILE 17 -1.565 -1.548 0.965
130 HD11 ILE 17 3HD1 ILE 17 0.559 -6.233 1.916
131 HD12 ILE 17 1HD1 ILE 17 -0.564 -5.463 3.037
132 HD13 ILE 17 2HD1 ILE 17 0.718 -4.513 2.281
133 H ILE 18 H ILE 18 -4.745 -3.518 1.480
134 HA ILE 18 HA ILE 18 -5.414 -0.807 1.483
135 HB ILE 18 HB ILE 18 -7.323 -3.182 1.749
136 HG12 ILE 18 2HG1 ILE 18 -6.285 -1.850 -0.803
137 HG13 ILE 18 3HG1 ILE 18 -5.747 -3.406 -0.180
138 HG21 ILE 18 1HG2 ILE 18 -7.873 -0.381 0.683
139 HG22 ILE 18 2HG2 ILE 18 -8.460 -1.047 2.207
140 HG23 ILE 18 3HG2 ILE 18 -9.017 -1.729 0.681
141 HD11 ILE 18 3HD1 ILE 18 -7.298 -3.704 -1.995
142 HD12 ILE 18 1HD1 ILE 18 -8.525 -2.751 -1.159
143 HD13 ILE 18 2HD1 ILE 18 -8.006 -4.305 -0.497
144 H ARG 19 H ARG 19 -6.075 -3.334 3.888
145 HA ARG 19 HA ARG 19 -7.687 -1.863 5.661
146 HB2 ARG 19 2HB ARG 19 -7.562 -4.344 5.621
147 HB3 ARG 19 3HB ARG 19 -5.914 -4.272 6.240
148 HG2 ARG 19 2HG ARG 19 -6.727 -3.279 8.345
149 HG3 ARG 19 3HG ARG 19 -8.382 -3.285 7.722
150 HD2 ARG 19 2HD ARG 19 -8.275 -5.769 7.572
151 HD3 ARG 19 3HD ARG 19 -6.651 -5.722 8.275
152 HE ARG 19 HE ARG 19 -8.346 -4.339 9.999
153 HH11 ARG 19 1HH1 ARG 19 -7.970 -7.665 8.895
154 HH12 ARG 19 2HH1 ARG 19 -8.621 -8.334 10.357
155 HH21 ARG 19 1HH2 ARG 19 -9.211 -5.232 11.860
156 HH22 ARG 19 2HH2 ARG 19 -9.322 -6.960 12.033
157 H GLU 20 H GLU 20 -4.189 -2.664 5.862
158 HA GLU 20 HA GLU 20 -3.699 -1.479 8.364
159 HB2 GLU 20 2HB GLU 20 -1.700 -1.922 6.107
160 HB3 GLU 20 3HB GLU 20 -1.299 -1.661 7.808
161 HG2 GLU 20 2HG GLU 20 -2.714 -4.051 6.592
162 HG3 GLU 20 3HG GLU 20 -1.097 -4.012 7.286
163 H ILE 21 H ILE 21 -3.369 -0.168 5.083
164 HA ILE 21 HA ILE 21 -2.166 2.301 5.874
165 HB ILE 21 HB ILE 21 -3.673 1.662 3.298
166 HG12 ILE 21 2HG1 ILE 21 -1.765 0.125 3.590
167 HG13 ILE 21 3HG1 ILE 21 -1.397 1.272 2.313
168 HG21 ILE 21 1HG2 ILE 21 -3.488 4.074 3.643
169 HG22 ILE 21 2HG2 ILE 21 -2.403 3.582 2.346
170 HG23 ILE 21 3HG2 ILE 21 -1.757 3.937 3.950
171 HD11 ILE 21 3HD1 ILE 21 0.005 2.534 3.894
172 HD12 ILE 21 1HD1 ILE 21 0.528 0.862 3.688
173 HD13 ILE 21 2HD1 ILE 21 -0.354 1.332 5.139
174 H ARG 22 H ARG 22 -5.533 1.256 5.366
175 HA ARG 22 HA ARG 22 -6.679 3.892 5.673
176 HB2 ARG 22 2HB ARG 22 -7.896 1.115 5.666
177 HB3 ARG 22 3HB ARG 22 -8.869 2.542 5.987
178 HG2 ARG 22 2HG ARG 22 -7.286 2.107 3.434
179 HG3 ARG 22 3HG ARG 22 -8.992 1.702 3.630
180 HD2 ARG 22 2HD ARG 22 -9.413 4.136 4.187
181 HD3 ARG 22 3HD ARG 22 -7.734 4.469 3.744
182 HE ARG 22 HE ARG 22 -9.013 3.086 1.632
183 HH11 ARG 22 1HH1 ARG 22 -9.051 6.272 3.139
184 HH12 ARG 22 2HH1 ARG 22 -9.553 7.079 1.692
185 HH21 ARG 22 1HH2 ARG 22 -9.655 4.182 -0.269
186 HH22 ARG 22 2HH2 ARG 22 -9.896 5.901 -0.234
187 H GLU 23 H GLU 23 -5.498 1.552 7.951
188 HA GLU 23 HA GLU 23 -7.211 2.307 10.163
189 HB2 GLU 23 2HB GLU 23 -4.609 0.718 10.081
190 HB3 GLU 23 3HB GLU 23 -5.514 1.021 11.563
191 HG2 GLU 23 2HG GLU 23 -6.443 -0.582 9.159
192 HG3 GLU 23 3HG GLU 23 -5.984 -1.212 10.739
193 H GLN 24 H GLN 24 -3.863 2.998 9.164
194 HA GLN 24 HA GLN 24 -3.446 4.925 11.310
195 HB2 GLN 24 2HB GLN 24 -1.706 4.043 8.984
196 HB3 GLN 24 3HB GLN 24 -1.251 5.386 10.017
197 HG2 GLN 24 2HG GLN 24 -0.060 3.491 10.806
198 HG3 GLN 24 3HG GLN 24 -1.322 3.826 11.985
199 HE21 GLN 24 1HE2 GLN 24 -0.213 1.620 9.521
200 HE22 GLN 24 2HE2 GLN 24 -1.263 0.309 9.929
201 H TRP 25 H TRP 25 -3.668 5.076 7.729
202 HA TRP 25 HA TRP 25 -4.255 7.985 7.869
203 HB2 TRP 25 2HB TRP 25 -3.066 6.513 5.477
204 HB3 TRP 25 3HB TRP 25 -3.235 8.256 5.672
205 HD1 TRP 25 HD1 TRP 25 -1.468 9.479 7.332
206 HE1 TRP 25 HE1 TRP 25 0.848 8.752 8.177
207 HE3 TRP 25 HE3 TRP 25 -1.657 4.502 6.105
208 HZ2 TRP 25 HZ2 TRP 25 2.388 6.404 8.316
209 HZ3 TRP 25 HZ3 TRP 25 0.290 3.083 6.634
210 HH2 TRP 25 HH2 TRP 25 2.275 4.020 7.718
211 HA PRO 26 HA PRO 26 -8.187 6.205 6.104
212 HB2 PRO 26 2HB PRO 26 -9.838 8.176 7.121
213 HB3 PRO 26 3HB PRO 26 -9.370 6.732 8.046
214 HG2 PRO 26 2HG PRO 26 -8.197 9.501 8.162
215 HG3 PRO 26 3HG PRO 26 -8.635 8.407 9.496
216 HD2 PRO 26 2HD PRO 26 -6.071 8.654 8.661
217 HD3 PRO 26 3HD PRO 26 -6.707 7.103 9.250
218 H LYS 27 H LYS 27 -6.626 9.358 5.974
219 HA LYS 27 HA LYS 27 -8.084 10.397 3.739
220 HB2 LYS 27 2HB LYS 27 -6.289 12.132 3.692
221 HB3 LYS 27 3HB LYS 27 -6.997 11.919 5.292
222 HG2 LYS 27 2HG LYS 27 -5.051 10.618 6.028
223 HG3 LYS 27 3HG LYS 27 -4.338 10.714 4.411
224 HD2 LYS 27 2HD LYS 27 -4.024 13.111 4.621
225 HD3 LYS 27 3HD LYS 27 -4.964 13.155 6.117
226 HE2 LYS 27 2HE LYS 27 -2.322 11.691 5.803
227 HE3 LYS 27 3HE LYS 27 -2.490 13.316 6.471
228 HZ1 LYS 27 3HZ LYS 27 -3.735 10.861 7.595
229 HZ2 LYS 27 1HZ LYS 27 -3.859 12.422 8.230
230 HZ3 LYS 27 2HZ LYS 27 -2.364 11.640 8.198
231 H ALA 28 H ALA 28 -5.429 8.172 4.001
232 HA ALA 28 HA ALA 28 -4.238 8.481 1.459
233 HB1 ALA 28 3HB ALA 28 -3.344 6.225 1.825
234 HB2 ALA 28 1HB ALA 28 -4.492 5.974 3.145
235 HB3 ALA 28 2HB ALA 28 -3.230 7.196 3.293
236 H THR 29 H THR 29 -5.358 8.379 -0.437
237 HA THR 29 HA THR 29 -7.796 6.868 -0.762
238 HB THR 29 HB THR 29 -6.161 8.003 -3.080
239 HG1 THR 29 HG1 THR 29 -6.503 9.936 -2.402
240 HG21 THR 29 3HG2 THR 29 -8.184 6.668 -3.658
241 HG22 THR 29 1HG2 THR 29 -8.371 8.359 -4.113
242 HG23 THR 29 2HG2 THR 29 -9.177 7.743 -2.667
243 H VAL 30 H VAL 30 -7.565 4.668 -0.665
244 HA VAL 30 HA VAL 30 -5.321 3.312 -1.990
245 HB VAL 30 HB VAL 30 -7.537 2.007 -0.334
246 HG11 VAL 30 1HG1 VAL 30 -4.750 1.032 -1.088
247 HG12 VAL 30 2HG1 VAL 30 -6.272 0.457 -1.774
248 HG13 VAL 30 3HG1 VAL 30 -5.905 0.161 -0.075
249 HG21 VAL 30 3HG2 VAL 30 -6.015 2.050 1.613
250 HG22 VAL 30 1HG2 VAL 30 -6.398 3.691 1.084
251 HG23 VAL 30 2HG2 VAL 30 -4.832 2.978 0.689
252 H THR 31 H THR 31 -5.576 2.031 -3.800
253 HA THR 31 HA THR 31 -8.289 1.733 -4.957
254 HB THR 31 HB THR 31 -5.692 2.248 -6.469
255 HG1 THR 31 HG1 THR 31 -6.322 4.155 -5.565
256 HG21 THR 31 3HG2 THR 31 -7.141 2.460 -8.484
257 HG22 THR 31 1HG2 THR 31 -8.551 2.010 -7.513
258 HG23 THR 31 2HG2 THR 31 -7.257 0.844 -7.788
259 H ARG 32 H ARG 32 -8.798 -0.340 -5.520
260 HA ARG 32 HA ARG 32 -6.821 -2.461 -4.946
261 HB2 ARG 32 2HB ARG 32 -8.774 -2.430 -3.469
262 HB3 ARG 32 3HB ARG 32 -9.871 -2.367 -4.847
263 HG2 ARG 32 2HG ARG 32 -9.022 -4.663 -5.507
264 HG3 ARG 32 3HG ARG 32 -8.136 -4.700 -3.977
265 HD2 ARG 32 2HD ARG 32 -10.293 -5.894 -3.827
266 HD3 ARG 32 3HD ARG 32 -10.229 -4.510 -2.730
267 HE ARG 32 HE ARG 32 -11.397 -3.498 -4.982
268 HH11 ARG 32 1HH1 ARG 32 -12.208 -6.244 -2.934
269 HH12 ARG 32 2HH1 ARG 32 -13.905 -6.121 -3.262
270 HH21 ARG 32 1HH2 ARG 32 -13.616 -3.330 -5.335
271 HH22 ARG 32 2HH2 ARG 32 -14.705 -4.472 -4.618
272 H THR 33 H THR 33 -6.077 -3.529 -6.765
273 HA THR 33 HA THR 33 -7.719 -3.848 -9.145
274 HB THR 33 HB THR 33 -5.714 -3.029 -10.593
275 HG1 THR 33 HG1 THR 33 -4.347 -2.823 -8.591
276 HG21 THR 33 3HG2 THR 33 -6.404 -0.672 -10.596
277 HG22 THR 33 1HG2 THR 33 -7.230 -0.897 -9.050
278 HG23 THR 33 2HG2 THR 33 -7.813 -1.731 -10.492
279 H ASN 34 H ASN 34 -7.598 -6.119 -8.975
280 HA ASN 34 HA ASN 34 -5.749 -7.563 -7.535
281 HB2 ASN 34 2HB ASN 34 -7.903 -8.486 -8.418
282 HB3 ASN 34 3HB ASN 34 -7.159 -8.646 -10.007
283 HD21 ASN 34 1HD2 ASN 34 -7.427 -10.910 -10.047
284 HD22 ASN 34 2HD2 ASN 34 -6.497 -11.967 -9.051
285 H GLY 35 H GLY 35 -3.644 -8.048 -7.723
286 HA2 GLY 35 2HA GLY 35 -1.693 -8.746 -9.017
287 HA3 GLY 35 3HA GLY 35 -2.230 -7.699 -10.321
288 H ASP 36 H ASP 36 -2.977 -5.531 -8.533
289 HA ASP 36 HA ASP 36 -0.427 -4.569 -7.430
290 HB2 ASP 36 2HB ASP 36 -2.176 -2.933 -9.332
291 HB3 ASP 36 3HB ASP 36 -0.713 -2.364 -8.533
292 H ILE 37 H ILE 37 -0.624 -2.872 -5.928
293 HA ILE 37 HA ILE 37 -3.343 -1.990 -5.095
294 HB ILE 37 HB ILE 37 -0.915 -2.437 -3.285
295 HG12 ILE 37 2HG1 ILE 37 -2.311 -4.449 -3.673
296 HG13 ILE 37 3HG1 ILE 37 -2.439 -3.924 -1.999
297 HG21 ILE 37 1HG2 ILE 37 -1.876 -0.269 -2.647
298 HG22 ILE 37 2HG2 ILE 37 -2.243 -1.465 -1.404
299 HG23 ILE 37 3HG2 ILE 37 -3.491 -0.978 -2.553
300 HD11 ILE 37 3HD1 ILE 37 -4.615 -2.875 -2.534
301 HD12 ILE 37 1HD1 ILE 37 -4.581 -4.613 -2.828
302 HD13 ILE 37 2HD1 ILE 37 -4.472 -3.493 -4.182
303 H LYS 38 H LYS 38 -3.570 -0.033 -5.971
304 HA LYS 38 HA LYS 38 -1.250 1.743 -6.374
305 HB2 LYS 38 2HB LYS 38 -4.136 2.080 -7.301
306 HB3 LYS 38 3HB LYS 38 -2.754 3.055 -7.806
307 HG2 LYS 38 2HG LYS 38 -1.767 1.132 -8.933
308 HG3 LYS 38 3HG LYS 38 -3.065 0.083 -8.341
309 HD2 LYS 38 2HD LYS 38 -4.712 1.450 -9.643
310 HD3 LYS 38 3HD LYS 38 -3.377 2.423 -10.275
311 HE2 LYS 38 2HE LYS 38 -2.422 0.400 -11.328
312 HE3 LYS 38 3HE LYS 38 -3.762 -0.560 -10.696
313 HZ1 LYS 38 3HZ LYS 38 -5.271 0.824 -12.003
314 HZ2 LYS 38 1HZ LYS 38 -4.159 0.008 -12.974
315 HZ3 LYS 38 2HZ LYS 38 -3.956 1.660 -12.656
316 H LEU 39 H LEU 39 -0.809 3.033 -4.694
317 HA LEU 39 HA LEU 39 -2.974 3.904 -2.882
318 HB2 LEU 39 2HB LEU 39 -1.385 2.346 -1.851
319 HB3 LEU 39 3HB LEU 39 -0.036 3.366 -2.321
320 HG LEU 39 HG LEU 39 -0.733 5.114 -0.755
321 HD11 LEU 39 1HD1 LEU 39 -2.634 4.835 0.781
322 HD12 LEU 39 2HD1 LEU 39 -3.115 3.364 -0.072
323 HD13 LEU 39 3HD1 LEU 39 -3.152 4.925 -0.900
324 HD21 LEU 39 3HD2 LEU 39 -0.377 3.938 1.364
325 HD22 LEU 39 1HD2 LEU 39 0.704 3.345 0.107
326 HD23 LEU 39 2HD2 LEU 39 -0.708 2.391 0.576
327 H ASP 40 H ASP 40 -3.206 6.001 -2.483
328 HA ASP 40 HA ASP 40 -1.480 7.960 -3.866
329 HB2 ASP 40 2HB ASP 40 -3.769 8.201 -4.582
330 HB3 ASP 40 3HB ASP 40 -4.377 8.063 -2.938
331 H ALA 41 H ALA 41 0.092 8.416 -2.492
332 HA ALA 41 HA ALA 41 -0.332 9.028 0.319
333 HB1 ALA 41 3HB ALA 41 2.123 9.445 0.316
334 HB2 ALA 41 1HB ALA 41 2.166 9.142 -1.425
335 HB3 ALA 41 2HB ALA 41 1.730 7.844 -0.312
336 H GLN 42 H GLN 42 -0.441 11.118 1.073
337 HA GLN 42 HA GLN 42 -1.204 13.123 -0.856
338 HB2 GLN 42 2HB GLN 42 -0.907 13.473 2.158
339 HB3 GLN 42 3HB GLN 42 -1.867 14.460 1.054
340 HG2 GLN 42 2HG GLN 42 -2.398 11.563 1.804
341 HG3 GLN 42 3HG GLN 42 -3.302 12.970 2.365
342 HE21 GLN 42 1HE2 GLN 42 -4.113 10.554 0.799
343 HE22 GLN 42 2HE2 GLN 42 -4.872 11.160 -0.627
344 H THR 43 H THR 43 1.515 12.622 1.369
345 HA THR 43 HA THR 43 3.115 14.544 -0.211
346 HB THR 43 HB THR 43 2.425 15.628 1.942
347 HG1 THR 43 HG1 THR 43 4.318 16.570 2.009
348 HG21 THR 43 3HG2 THR 43 3.414 14.879 4.068
349 HG22 THR 43 1HG2 THR 43 4.093 13.461 3.265
350 HG23 THR 43 2HG2 THR 43 2.343 13.641 3.408
351 H GLU 44 H GLU 44 5.568 14.201 0.655
352 HA GLU 44 HA GLU 44 6.123 11.754 -0.732
353 HB2 GLU 44 2HB GLU 44 8.194 13.675 0.410
354 HB3 GLU 44 3HB GLU 44 8.374 12.575 -0.956
355 HG2 GLU 44 2HG GLU 44 6.750 15.142 -0.842
356 HG3 GLU 44 3HG GLU 44 8.206 14.836 -1.789
357 H LYS 45 H LYS 45 7.120 13.046 2.457
358 HA LYS 45 HA LYS 45 8.543 10.701 3.248
359 HB2 LYS 45 2HB LYS 45 7.574 13.034 4.946
360 HB3 LYS 45 3HB LYS 45 8.712 11.791 5.475
361 HG2 LYS 45 2HG LYS 45 10.274 12.512 3.645
362 HG3 LYS 45 3HG LYS 45 9.148 13.812 3.245
363 HD2 LYS 45 2HD LYS 45 10.929 14.716 4.614
364 HD3 LYS 45 3HD LYS 45 9.438 14.724 5.559
365 HE2 LYS 45 2HE LYS 45 11.396 13.980 6.890
366 HE3 LYS 45 3HE LYS 45 10.170 12.717 6.775
367 HZ1 LYS 45 3HZ LYS 45 11.474 11.636 5.063
368 HZ2 LYS 45 1HZ LYS 45 12.418 11.860 6.447
369 HZ3 LYS 45 2HZ LYS 45 12.630 12.869 5.105
370 H GLU 46 H GLU 46 5.228 11.309 3.097
371 HA GLU 46 HA GLU 46 4.418 9.686 5.366
372 HB2 GLU 46 2HB GLU 46 3.069 11.619 4.733
373 HB3 GLU 46 3HB GLU 46 2.887 11.005 3.093
374 HG2 GLU 46 2HG GLU 46 1.523 9.150 3.892
375 HG3 GLU 46 3HG GLU 46 1.786 9.639 5.573
376 H ALA 47 H ALA 47 4.820 9.499 1.857
377 HA ALA 47 HA ALA 47 3.696 6.997 1.279
378 HB1 ALA 47 3HB ALA 47 4.416 8.619 -0.439
379 HB2 ALA 47 1HB ALA 47 5.113 7.022 -0.730
380 HB3 ALA 47 2HB ALA 47 6.103 8.308 -0.029
381 H GLU 48 H GLU 48 6.817 7.868 2.612
382 HA GLU 48 HA GLU 48 8.184 5.407 2.415
383 HB2 GLU 48 2HB GLU 48 8.532 7.499 4.607
384 HB3 GLU 48 3HB GLU 48 9.734 6.327 4.058
385 HG2 GLU 48 2HG GLU 48 8.641 8.663 2.448
386 HG3 GLU 48 3HG GLU 48 10.202 8.613 3.259
387 H LYS 49 H LYS 49 6.040 6.770 4.860
388 HA LYS 49 HA LYS 49 6.397 4.716 6.846
389 HB2 LYS 49 2HB LYS 49 4.110 6.716 6.579
390 HB3 LYS 49 3HB LYS 49 4.613 5.875 8.045
391 HG2 LYS 49 2HG LYS 49 6.676 7.157 8.126
392 HG3 LYS 49 3HG LYS 49 6.324 7.902 6.562
393 HD2 LYS 49 2HD LYS 49 4.311 8.996 7.574
394 HD3 LYS 49 3HD LYS 49 4.733 8.291 9.138
395 HE2 LYS 49 2HE LYS 49 6.837 9.568 9.159
396 HE3 LYS 49 3HE LYS 49 6.468 10.227 7.562
397 HZ1 LYS 49 3HZ LYS 49 4.845 10.677 10.011
398 HZ2 LYS 49 1HZ LYS 49 4.567 11.352 8.484
399 HZ3 LYS 49 2HZ LYS 49 5.951 11.775 9.354
400 H MET 50 H MET 50 3.748 5.650 4.760
401 HA MET 50 HA MET 50 1.965 3.623 4.787
402 HB2 MET 50 2HB MET 50 2.973 5.066 2.315
403 HB3 MET 50 3HB MET 50 1.606 3.960 2.267
404 HG2 MET 50 2HG MET 50 0.416 5.373 3.907
405 HG3 MET 50 3HG MET 50 1.775 6.507 3.892
406 HE1 MET 50 3HE MET 50 -1.296 7.245 3.292
407 HE2 MET 50 1HE MET 50 -1.129 8.328 1.912
408 HE3 MET 50 2HE MET 50 -0.023 8.460 3.273
409 H GLU 51 H GLU 51 4.753 3.468 2.503
410 HA GLU 51 HA GLU 51 4.274 0.773 1.762
411 HB2 GLU 51 2HB GLU 51 6.347 0.858 0.549
412 HB3 GLU 51 3HB GLU 51 5.507 2.388 0.339
413 HG2 GLU 51 2HG GLU 51 7.022 3.515 1.824
414 HG3 GLU 51 3HG GLU 51 7.766 1.996 2.325
415 H LYS 52 H LYS 52 6.067 2.189 4.400
416 HA LYS 52 HA LYS 52 7.688 0.009 5.178
417 HB2 LYS 52 2HB LYS 52 7.937 2.336 6.021
418 HB3 LYS 52 3HB LYS 52 6.416 2.185 6.888
419 HG2 LYS 52 2HG LYS 52 7.403 0.458 8.341
420 HG3 LYS 52 3HG LYS 52 8.928 0.579 7.453
421 HD2 LYS 52 2HD LYS 52 9.152 2.944 8.147
422 HD3 LYS 52 3HD LYS 52 7.619 2.847 9.022
423 HE2 LYS 52 2HE LYS 52 9.534 2.650 10.560
424 HE3 LYS 52 3HE LYS 52 8.592 1.159 10.535
425 HZ1 LYS 52 3HZ LYS 52 11.100 1.600 9.007
426 HZ2 LYS 52 1HZ LYS 52 10.225 0.156 9.099
427 HZ3 LYS 52 2HZ LYS 52 10.994 0.765 10.473
428 H ALA 53 H ALA 53 4.368 0.975 6.046
429 HA ALA 53 HA ALA 53 3.769 -1.121 7.864
430 HB1 ALA 53 3HB ALA 53 1.418 -0.424 7.589
431 HB2 ALA 53 1HB ALA 53 1.864 0.550 6.187
432 HB3 ALA 53 2HB ALA 53 2.477 0.975 7.787
433 H VAL 54 H VAL 54 3.477 -0.847 4.356
434 HA VAL 54 HA VAL 54 2.098 -3.249 3.770
435 HB VAL 54 HB VAL 54 4.226 -1.856 2.071
436 HG11 VAL 54 1HG1 VAL 54 1.989 -3.724 1.204
437 HG12 VAL 54 2HG1 VAL 54 3.702 -4.133 1.266
438 HG13 VAL 54 3HG1 VAL 54 3.134 -2.909 0.132
439 HG21 VAL 54 3HG2 VAL 54 2.336 -0.659 0.982
440 HG22 VAL 54 1HG2 VAL 54 2.474 -0.261 2.696
441 HG23 VAL 54 2HG2 VAL 54 1.222 -1.375 2.148
442 H LYS 55 H LYS 55 5.569 -2.507 3.962
443 HA LYS 55 HA LYS 55 6.569 -5.108 3.427
444 HB2 LYS 55 2HB LYS 55 7.880 -2.709 4.757
445 HB3 LYS 55 3HB LYS 55 8.749 -4.183 4.325
446 HG2 LYS 55 2HG LYS 55 8.295 -3.817 1.955
447 HG3 LYS 55 3HG LYS 55 7.282 -2.417 2.335
448 HD2 LYS 55 2HD LYS 55 9.266 -1.246 3.276
449 HD3 LYS 55 3HD LYS 55 10.269 -2.646 2.890
450 HE2 LYS 55 2HE LYS 55 8.806 -0.928 0.850
451 HE3 LYS 55 3HE LYS 55 10.523 -0.814 1.235
452 HZ1 LYS 55 3HZ LYS 55 9.157 -3.177 0.055
453 HZ2 LYS 55 1HZ LYS 55 10.792 -3.108 0.475
454 HZ3 LYS 55 2HZ LYS 55 10.192 -2.112 -0.744
455 H LYS 56 H LYS 56 5.239 -3.773 6.331
456 HA LYS 56 HA LYS 56 6.424 -5.607 8.204
457 HB2 LYS 56 2HB LYS 56 3.860 -3.964 8.377
458 HB3 LYS 56 3HB LYS 56 4.524 -4.894 9.715
459 HG2 LYS 56 2HG LYS 56 6.075 -2.654 8.378
460 HG3 LYS 56 3HG LYS 56 4.941 -2.349 9.686
461 HD2 LYS 56 2HD LYS 56 7.033 -2.443 10.770
462 HD3 LYS 56 3HD LYS 56 6.349 -4.037 11.071
463 HE2 LYS 56 2HE LYS 56 7.770 -4.940 9.213
464 HE3 LYS 56 3HE LYS 56 8.463 -3.331 9.002
465 HZ1 LYS 56 3HZ LYS 56 9.340 -3.434 11.226
466 HZ2 LYS 56 1HZ LYS 56 9.856 -4.789 10.355
467 HZ3 LYS 56 2HZ LYS 56 8.615 -4.936 11.492
468 H VAL 57 H VAL 57 3.506 -5.581 6.203
469 HA VAL 57 HA VAL 57 2.413 -8.059 7.225
470 HB VAL 57 HB VAL 57 1.675 -6.658 4.614
471 HG11 VAL 57 1HG1 VAL 57 -0.534 -7.744 4.921
472 HG12 VAL 57 2HG1 VAL 57 0.059 -8.538 6.381
473 HG13 VAL 57 3HG1 VAL 57 0.762 -8.936 4.812
474 HG21 VAL 57 3HG2 VAL 57 0.513 -6.136 7.381
475 HG22 VAL 57 1HG2 VAL 57 -0.092 -5.456 5.867
476 HG23 VAL 57 2HG2 VAL 57 1.517 -5.022 6.449
477 H LYS 58 H LYS 58 4.769 -7.213 4.862
478 HA LYS 58 HA LYS 58 5.295 -9.883 4.092
479 HB2 LYS 58 2HB LYS 58 5.075 -9.425 1.526
480 HB3 LYS 58 3HB LYS 58 3.666 -9.936 2.434
481 HG2 LYS 58 2HG LYS 58 2.626 -7.841 2.272
482 HG3 LYS 58 3HG LYS 58 4.140 -7.000 1.915
483 HD2 LYS 58 2HD LYS 58 4.188 -7.782 -0.328
484 HD3 LYS 58 3HD LYS 58 3.041 -9.079 -0.003
485 HE2 LYS 58 2HE LYS 58 2.236 -6.166 0.134
486 HE3 LYS 58 3HE LYS 58 2.191 -7.083 -1.375
487 HZ1 LYS 58 3HZ LYS 58 0.053 -7.083 -0.230
488 HZ2 LYS 58 1HZ LYS 58 0.745 -7.838 1.120
489 HZ3 LYS 58 2HZ LYS 58 0.678 -8.643 -0.367
490 HA PRO 59 HA PRO 59 9.073 -7.346 4.374
491 HB2 PRO 59 2HB PRO 59 10.894 -9.464 4.206
492 HB3 PRO 59 3HB PRO 59 10.053 -8.980 5.699
493 HG2 PRO 59 2HG PRO 59 9.335 -11.163 3.750
494 HG3 PRO 59 3HG PRO 59 9.369 -11.210 5.528
495 HD2 PRO 59 2HD PRO 59 7.038 -10.925 4.229
496 HD3 PRO 59 3HD PRO 59 7.339 -10.027 5.734
497 H ASN 60 H ASN 60 8.274 -9.467 1.701
498 HA ASN 60 HA ASN 60 10.369 -8.253 -0.019
499 HB2 ASN 60 2HB ASN 60 8.717 -10.780 -0.476
500 HB3 ASN 60 3HB ASN 60 9.919 -10.149 -1.595
501 HD21 ASN 60 1HD2 ASN 60 11.827 -9.423 0.574
502 HD22 ASN 60 2HD2 ASN 60 12.468 -10.923 1.132
503 H ALA 61 H ALA 61 7.699 -7.091 0.850
504 HA ALA 61 HA ALA 61 6.046 -6.714 -1.386
505 HB1 ALA 61 3HB ALA 61 5.417 -6.004 0.885
506 HB2 ALA 61 1HB ALA 61 5.280 -4.660 -0.252
507 HB3 ALA 61 2HB ALA 61 6.656 -4.752 0.853
508 H THR 62 H THR 62 6.686 -6.002 -3.330
509 HA THR 62 HA THR 62 8.889 -4.099 -3.626
510 HB THR 62 HB THR 62 7.267 -5.570 -5.752
511 HG1 THR 62 HG1 THR 62 8.507 -7.148 -5.167
512 HG21 THR 62 3HG2 THR 62 9.847 -3.960 -6.037
513 HG22 THR 62 1HG2 THR 62 8.263 -3.484 -6.656
514 HG23 THR 62 2HG2 THR 62 9.077 -4.903 -7.315
515 H ILE 63 H ILE 63 8.427 -2.053 -3.580
516 HA ILE 63 HA ILE 63 5.791 -1.009 -4.438
517 HB ILE 63 HB ILE 63 7.823 0.220 -2.506
518 HG12 ILE 63 2HG1 ILE 63 5.685 0.264 -0.998
519 HG13 ILE 63 3HG1 ILE 63 4.989 -0.853 -2.157
520 HG21 ILE 63 1HG2 ILE 63 5.299 1.520 -3.605
521 HG22 ILE 63 2HG2 ILE 63 6.957 2.013 -3.948
522 HG23 ILE 63 3HG2 ILE 63 6.312 2.178 -2.316
523 HD11 ILE 63 3HD1 ILE 63 5.865 -1.964 -0.183
524 HD12 ILE 63 1HD1 ILE 63 7.473 -1.326 -0.524
525 HD13 ILE 63 2HD1 ILE 63 6.723 -2.474 -1.637
526 H ARG 64 H ARG 64 5.752 0.132 -6.196
527 HA ARG 64 HA ARG 64 8.201 1.118 -7.533
528 HB2 ARG 64 2HB ARG 64 5.442 0.433 -8.654
529 HB3 ARG 64 3HB ARG 64 6.801 1.030 -9.606
530 HG2 ARG 64 2HG ARG 64 8.039 -0.992 -9.287
531 HG3 ARG 64 3HG ARG 64 6.934 -1.564 -8.034
532 HD2 ARG 64 2HD ARG 64 6.588 -2.748 -10.168
533 HD3 ARG 64 3HD ARG 64 5.161 -1.828 -9.691
534 HE ARG 64 HE ARG 64 6.641 -0.189 -11.380
535 HH11 ARG 64 1HH1 ARG 64 4.950 -3.274 -11.652
536 HH12 ARG 64 2HH1 ARG 64 4.596 -3.057 -13.338
537 HH21 ARG 64 1HH2 ARG 64 6.163 0.060 -13.583
538 HH22 ARG 64 2HH2 ARG 64 5.282 -1.175 -14.424
539 H LYS 65 H LYS 65 8.405 3.334 -7.544
540 HA LYS 65 HA LYS 65 6.119 4.946 -6.568
541 HB2 LYS 65 2HB LYS 65 9.089 5.587 -6.635
542 HB3 LYS 65 3HB LYS 65 7.843 6.737 -6.150
543 HG2 LYS 65 2HG LYS 65 7.199 5.079 -4.328
544 HG3 LYS 65 3HG LYS 65 8.673 4.186 -4.736
545 HD2 LYS 65 2HD LYS 65 10.018 6.226 -4.262
546 HD3 LYS 65 3HD LYS 65 8.542 7.102 -3.840
547 HE2 LYS 65 2HE LYS 65 9.650 6.398 -1.809
548 HE3 LYS 65 3HE LYS 65 8.164 5.468 -1.988
549 HZ1 LYS 65 3HZ LYS 65 9.527 3.647 -2.907
550 HZ2 LYS 65 1HZ LYS 65 9.914 4.032 -1.312
551 HZ3 LYS 65 2HZ LYS 65 10.917 4.549 -2.570
552 H THR 66 H THR 66 5.412 6.681 -7.578
553 HA THR 66 HA THR 66 6.769 8.059 -9.676
554 HB THR 66 HB THR 66 5.617 6.227 -11.018
555 HG1 THR 66 HG1 THR 66 5.784 7.816 -12.399
556 HG21 THR 66 3HG2 THR 66 3.192 6.288 -11.347
557 HG22 THR 66 1HG2 THR 66 3.040 7.598 -10.173
558 HG23 THR 66 2HG2 THR 66 3.555 5.996 -9.646
559 H GLY 67 H GLY 67 4.681 9.751 -10.449
560 HA2 GLY 67 2HA GLY 67 3.088 11.285 -9.717
561 HA3 GLY 67 3HA GLY 67 3.112 10.552 -8.117
562 H GLY 68 H GLY 68 4.956 12.597 -10.327
563 HA2 GLY 68 2HA GLY 68 5.667 14.437 -8.200
564 HA3 GLY 68 3HA GLY 68 7.043 13.585 -8.909
565 H SER 69 H SER 69 6.840 13.478 -11.435
566 HA SER 69 HA SER 69 6.554 16.134 -12.534
567 HB2 SER 69 2HB SER 69 8.314 14.596 -13.361
568 HB3 SER 69 3HB SER 69 7.086 13.458 -13.904
569 HG SER 69 HG SER 69 7.773 14.681 -15.634
570 H LEU 70 H LEU 70 4.374 16.497 -11.968
571 HA LEU 70 HA LEU 70 2.156 15.033 -13.085
572 HB2 LEU 70 2HB LEU 70 2.187 16.376 -10.919
573 HB3 LEU 70 3HB LEU 70 2.225 17.836 -11.878
574 HG LEU 70 HG LEU 70 -0.096 15.868 -12.088
575 HD11 LEU 70 1HD1 LEU 70 0.113 16.455 -9.723
576 HD12 LEU 70 2HD1 LEU 70 -1.322 17.200 -10.421
577 HD13 LEU 70 3HD1 LEU 70 0.122 18.174 -10.129
578 HD21 LEU 70 3HD2 LEU 70 -0.003 17.567 -13.874
579 HD22 LEU 70 1HD2 LEU 70 0.051 18.857 -12.669
580 HD23 LEU 70 2HD2 LEU 70 -1.390 17.848 -12.829
581 H GLU 71 H GLU 71 0.943 15.590 -14.914
582 HA GLU 71 HA GLU 71 2.282 16.968 -17.040
583 HB2 GLU 71 2HB GLU 71 -0.491 15.723 -16.886
584 HB3 GLU 71 3HB GLU 71 0.118 16.505 -18.334
585 HG2 GLU 71 2HG GLU 71 0.356 14.092 -18.517
586 HG3 GLU 71 3HG GLU 71 1.940 14.871 -18.497
587 H HIS 72 H HIS 72 2.525 19.031 -16.055
588 HA HIS 72 HA HIS 72 0.264 20.823 -15.733
589 HB2 HIS 72 2HB HIS 72 1.927 22.547 -15.255
590 HB3 HIS 72 3HB HIS 72 2.344 21.092 -14.365
591 HD1 HIS 72 HD1 HIS 72 3.629 23.463 -16.889
592 HD2 HIS 72 HD2 HIS 72 4.690 19.740 -15.380
593 HE1 HIS 72 HE1 HIS 72 5.992 23.082 -17.634
594 HE2 HIS 72 HE2 HIS 72 6.664 20.907 -16.555
595 H HIS 73 H HIS 73 2.335 19.770 -18.277
596 HA HIS 73 HA HIS 73 2.005 21.834 -20.205
597 HB2 HIS 73 2HB HIS 73 3.707 19.942 -20.284
598 HB3 HIS 73 3HB HIS 73 2.404 18.834 -20.678
599 HD1 HIS 73 HD1 HIS 73 4.844 21.071 -22.172
600 HD2 HIS 73 HD2 HIS 73 1.202 19.418 -23.301
601 HE1 HIS 73 HE1 HIS 73 4.757 21.267 -24.666
602 HE2 HIS 73 HE2 HIS 73 2.638 20.086 -25.334
603 H HIS 74 H HIS 74 -0.070 22.515 -20.512
604 HA HIS 74 HA HIS 74 -2.367 20.900 -20.059
605 HB2 HIS 74 2HB HIS 74 -2.132 23.713 -21.214
606 HB3 HIS 74 3HB HIS 74 -3.636 22.969 -20.682
607 HD1 HIS 74 HD1 HIS 74 -1.309 25.326 -19.520
608 HD2 HIS 74 HD2 HIS 74 -3.193 22.081 -17.727
609 HE1 HIS 74 HE1 HIS 74 -1.188 25.747 -17.048
610 HE2 HIS 74 HE2 HIS 74 -2.378 23.801 -15.987
611 H HIS 75 H HIS 75 -3.423 19.613 -21.410
612 HA HIS 75 HA HIS 75 -4.130 20.369 -24.080
613 HB2 HIS 75 2HB HIS 75 -3.137 18.525 -25.325
614 HB3 HIS 75 3HB HIS 75 -1.846 19.388 -24.509
615 HD1 HIS 75 HD1 HIS 75 -3.495 16.051 -24.714
616 HD2 HIS 75 HD2 HIS 75 -0.592 17.918 -22.385
617 HE1 HIS 75 HE1 HIS 75 -2.282 14.201 -23.526
618 HE2 HIS 75 HE2 HIS 75 -0.462 15.348 -22.219
619 H HIS 76 H HIS 76 -5.771 18.894 -24.990
620 HA HIS 76 HA HIS 76 -7.457 17.773 -22.974
621 HB2 HIS 76 2HB HIS 76 -9.041 17.239 -24.714
622 HB3 HIS 76 3HB HIS 76 -8.361 18.808 -25.090
623 HD1 HIS 76 HD1 HIS 76 -7.291 19.074 -27.377
624 HD2 HIS 76 HD2 HIS 76 -8.234 15.131 -26.498
625 HE1 HIS 76 HE1 HIS 76 -6.983 17.814 -29.521
626 HE2 HIS 76 HE2 HIS 76 -7.394 15.410 -28.911
627 H HIS 77 H HIS 77 -7.917 15.604 -22.509
628 HA HIS 77 HA HIS 77 -6.359 13.473 -23.754
629 HB2 HIS 77 2HB HIS 77 -5.442 12.687 -21.551
630 HB3 HIS 77 3HB HIS 77 -4.763 14.207 -22.087
631 HD1 HIS 77 HD1 HIS 77 -6.437 12.633 -19.242
632 HD2 HIS 77 HD2 HIS 77 -5.764 16.514 -20.570
633 HE1 HIS 77 HE1 HIS 77 -6.849 14.108 -17.258
634 HE2 HIS 77 HE2 HIS 77 -6.369 16.440 -18.068
Start of MODEL 17
1 H1 MET 1 1H MET 1 1.702 14.460 -5.736
2 H2 MET 1 2H MET 1 2.225 14.128 -4.168
3 H3 MET 1 3H MET 1 0.726 14.859 -4.419
4 HA MET 1 HA MET 1 0.438 12.572 -3.863
5 HB2 MET 1 2HB MET 1 -1.148 13.618 -5.439
6 HB3 MET 1 3HB MET 1 -0.120 13.181 -6.795
7 HG2 MET 1 2HG MET 1 -0.551 10.802 -6.373
8 HG3 MET 1 3HG MET 1 -1.544 11.221 -4.978
9 HE1 MET 1 3HE MET 1 -4.631 12.960 -6.634
10 HE2 MET 1 1HE MET 1 -3.212 13.762 -5.970
11 HE3 MET 1 2HE MET 1 -3.919 12.378 -5.131
12 H VAL 2 H VAL 2 2.273 11.397 -3.417
13 HA VAL 2 HA VAL 2 4.058 10.342 -5.420
14 HB VAL 2 HB VAL 2 3.701 9.492 -2.494
15 HG11 VAL 2 1HG1 VAL 2 5.965 8.511 -2.691
16 HG12 VAL 2 2HG1 VAL 2 6.024 8.962 -4.396
17 HG13 VAL 2 3HG1 VAL 2 4.852 7.766 -3.841
18 HG21 VAL 2 3HG2 VAL 2 4.291 11.879 -2.670
19 HG22 VAL 2 1HG2 VAL 2 5.679 11.477 -3.686
20 HG23 VAL 2 2HG2 VAL 2 5.636 10.955 -1.999
21 H ASP 3 H ASP 3 3.462 8.738 -6.747
22 HA ASP 3 HA ASP 3 1.079 7.122 -6.213
23 HB2 ASP 3 2HB ASP 3 1.295 8.073 -8.462
24 HB3 ASP 3 3HB ASP 3 2.867 7.311 -8.668
25 H LEU 4 H LEU 4 1.399 5.434 -4.949
26 HA LEU 4 HA LEU 4 3.838 3.777 -5.099
27 HB2 LEU 4 2HB LEU 4 1.578 3.745 -3.048
28 HB3 LEU 4 3HB LEU 4 3.102 2.885 -2.927
29 HG LEU 4 HG LEU 4 2.818 5.920 -2.870
30 HD11 LEU 4 1HD1 LEU 4 3.324 5.769 -0.468
31 HD12 LEU 4 2HD1 LEU 4 3.311 4.006 -0.562
32 HD13 LEU 4 3HD1 LEU 4 1.830 4.919 -0.861
33 HD21 LEU 4 3HD2 LEU 4 5.244 4.165 -2.384
34 HD22 LEU 4 1HD2 LEU 4 5.178 5.917 -2.166
35 HD23 LEU 4 2HD2 LEU 4 4.975 5.223 -3.771
36 H LYS 5 H LYS 5 3.538 2.241 -6.680
37 HA LYS 5 HA LYS 5 1.003 0.694 -6.734
38 HB2 LYS 5 2HB LYS 5 1.738 1.856 -8.848
39 HB3 LYS 5 3HB LYS 5 3.204 0.884 -8.848
40 HG2 LYS 5 2HG LYS 5 1.803 -1.169 -9.071
41 HG3 LYS 5 3HG LYS 5 0.360 -0.156 -9.131
42 HD2 LYS 5 2HD LYS 5 1.117 0.893 -11.203
43 HD3 LYS 5 3HD LYS 5 2.659 0.036 -11.125
44 HE2 LYS 5 2HE LYS 5 -0.029 -1.354 -11.396
45 HE3 LYS 5 3HE LYS 5 0.998 -0.921 -12.764
46 HZ1 LYS 5 3HZ LYS 5 2.716 -2.367 -11.932
47 HZ2 LYS 5 1HZ LYS 5 1.268 -3.235 -12.039
48 HZ3 LYS 5 2HZ LYS 5 1.825 -2.709 -10.535
49 H ILE 6 H ILE 6 1.177 -1.159 -5.557
50 HA ILE 6 HA ILE 6 3.857 -2.364 -5.115
51 HB ILE 6 HB ILE 6 1.366 -2.638 -3.344
52 HG12 ILE 6 2HG1 ILE 6 2.932 -1.414 -1.614
53 HG13 ILE 6 3HG1 ILE 6 3.849 -0.897 -3.017
54 HG21 ILE 6 1HG2 ILE 6 2.857 -3.833 -1.772
55 HG22 ILE 6 2HG2 ILE 6 4.191 -3.697 -2.913
56 HG23 ILE 6 3HG2 ILE 6 2.774 -4.668 -3.324
57 HD11 ILE 6 3HD1 ILE 6 1.877 0.276 -3.870
58 HD12 ILE 6 1HD1 ILE 6 2.326 0.831 -2.257
59 HD13 ILE 6 2HD1 ILE 6 0.952 -0.256 -2.464
60 H ASP 7 H ASP 7 4.149 -4.303 -6.139
61 HA ASP 7 HA ASP 7 2.060 -5.862 -7.342
62 HB2 ASP 7 2HB ASP 7 4.913 -6.645 -6.570
63 HB3 ASP 7 3HB ASP 7 3.842 -7.637 -7.552
64 H VAL 8 H VAL 8 0.687 -7.273 -6.323
65 HA VAL 8 HA VAL 8 1.492 -8.496 -3.753
66 HB VAL 8 HB VAL 8 -0.971 -8.437 -3.071
67 HG11 VAL 8 1HG1 VAL 8 -0.867 -6.144 -2.157
68 HG12 VAL 8 2HG1 VAL 8 0.445 -5.751 -3.273
69 HG13 VAL 8 3HG1 VAL 8 0.688 -6.968 -2.018
70 HG21 VAL 8 3HG2 VAL 8 -2.000 -7.923 -5.235
71 HG22 VAL 8 1HG2 VAL 8 -1.182 -6.361 -5.286
72 HG23 VAL 8 2HG2 VAL 8 -2.416 -6.670 -4.063
73 H SER 9 H SER 9 1.422 -10.630 -3.844
74 HA SER 9 HA SER 9 0.710 -11.991 -6.292
75 HB2 SER 9 2HB SER 9 1.784 -13.090 -3.652
76 HB3 SER 9 3HB SER 9 1.697 -13.977 -5.177
77 HG SER 9 HG SER 9 2.962 -11.585 -5.461
78 H ASP 10 H ASP 10 -0.649 -11.594 -3.108
79 HA ASP 10 HA ASP 10 -2.747 -13.632 -3.638
80 HB2 ASP 10 2HB ASP 10 -1.136 -14.232 -1.820
81 HB3 ASP 10 3HB ASP 10 -1.543 -12.749 -0.977
82 H ASP 11 H ASP 11 -4.862 -13.158 -2.717
83 HA ASP 11 HA ASP 11 -5.577 -10.398 -3.336
84 HB2 ASP 11 2HB ASP 11 -7.376 -12.809 -2.810
85 HB3 ASP 11 3HB ASP 11 -7.923 -11.232 -3.381
86 H GLU 12 H GLU 12 -5.931 -12.714 -0.654
87 HA GLU 12 HA GLU 12 -7.204 -10.988 1.206
88 HB2 GLU 12 2HB GLU 12 -7.177 -13.417 1.521
89 HB3 GLU 12 3HB GLU 12 -5.421 -13.425 1.647
90 HG2 GLU 12 2HG GLU 12 -5.565 -12.146 3.757
91 HG3 GLU 12 3HG GLU 12 -7.322 -12.117 3.628
92 H GLU 13 H GLU 13 -3.813 -11.577 0.372
93 HA GLU 13 HA GLU 13 -2.506 -9.957 2.276
94 HB2 GLU 13 2HB GLU 13 -1.258 -11.506 0.931
95 HB3 GLU 13 3HB GLU 13 -1.827 -10.779 -0.567
96 HG2 GLU 13 2HG GLU 13 -0.532 -8.720 -0.008
97 HG3 GLU 13 3HG GLU 13 0.103 -9.535 1.421
98 H ALA 14 H ALA 14 -3.746 -9.217 -0.982
99 HA ALA 14 HA ALA 14 -3.008 -6.524 -1.204
100 HB1 ALA 14 3HB ALA 14 -3.847 -7.873 -3.093
101 HB2 ALA 14 1HB ALA 14 -4.747 -6.365 -2.933
102 HB3 ALA 14 2HB ALA 14 -5.461 -7.884 -2.379
103 H GLU 15 H GLU 15 -6.065 -7.950 -0.068
104 HA GLU 15 HA GLU 15 -7.422 -5.618 0.680
105 HB2 GLU 15 2HB GLU 15 -7.647 -8.441 1.809
106 HB3 GLU 15 3HB GLU 15 -8.833 -7.166 2.060
107 HG2 GLU 15 2HG GLU 15 -8.100 -8.318 -0.648
108 HG3 GLU 15 3HG GLU 15 -9.475 -8.831 0.320
109 H LYS 16 H LYS 16 -5.164 -7.691 2.465
110 HA LYS 16 HA LYS 16 -5.467 -6.639 5.046
111 HB2 LYS 16 2HB LYS 16 -3.851 -8.626 3.774
112 HB3 LYS 16 3HB LYS 16 -2.698 -7.531 4.509
113 HG2 LYS 16 2HG LYS 16 -4.953 -8.950 5.961
114 HG3 LYS 16 3HG LYS 16 -3.263 -9.444 5.962
115 HD2 LYS 16 2HD LYS 16 -4.369 -6.858 7.131
116 HD3 LYS 16 3HD LYS 16 -3.805 -8.262 8.042
117 HE2 LYS 16 2HE LYS 16 -1.528 -7.931 7.109
118 HE3 LYS 16 3HE LYS 16 -2.099 -6.497 6.255
119 HZ1 LYS 16 3HZ LYS 16 -1.955 -6.890 9.185
120 HZ2 LYS 16 1HZ LYS 16 -2.703 -5.566 8.441
121 HZ3 LYS 16 2HZ LYS 16 -1.045 -5.819 8.245
122 H ILE 17 H ILE 17 -3.374 -5.672 2.340
123 HA ILE 17 HA ILE 17 -1.942 -3.591 3.614
124 HB ILE 17 HB ILE 17 -2.739 -3.784 0.660
125 HG12 ILE 17 2HG1 ILE 17 -1.511 -5.797 1.327
126 HG13 ILE 17 3HG1 ILE 17 -0.509 -4.818 0.268
127 HG21 ILE 17 1HG2 ILE 17 -0.785 -2.328 0.201
128 HG22 ILE 17 2HG2 ILE 17 -0.516 -2.152 1.935
129 HG23 ILE 17 3HG2 ILE 17 -1.992 -1.519 1.207
130 HD11 ILE 17 3HD1 ILE 17 0.792 -5.767 2.055
131 HD12 ILE 17 1HD1 ILE 17 -0.263 -5.046 3.268
132 HD13 ILE 17 2HD1 ILE 17 0.737 -4.016 2.238
133 H ILE 18 H ILE 18 -4.889 -3.513 1.558
134 HA ILE 18 HA ILE 18 -5.388 -0.760 1.609
135 HB ILE 18 HB ILE 18 -7.444 -3.012 1.353
136 HG12 ILE 18 2HG1 ILE 18 -5.887 -1.572 -0.850
137 HG13 ILE 18 3HG1 ILE 18 -5.556 -3.203 -0.286
138 HG21 ILE 18 1HG2 ILE 18 -7.616 -0.114 0.429
139 HG22 ILE 18 2HG2 ILE 18 -8.531 -0.838 1.754
140 HG23 ILE 18 3HG2 ILE 18 -8.815 -1.368 0.096
141 HD11 ILE 18 3HD1 ILE 18 -6.770 -3.229 -2.370
142 HD12 ILE 18 1HD1 ILE 18 -8.080 -2.289 -1.658
143 HD13 ILE 18 2HD1 ILE 18 -7.751 -3.927 -1.083
144 H ARG 19 H ARG 19 -6.384 -3.316 3.859
145 HA ARG 19 HA ARG 19 -8.216 -1.919 5.468
146 HB2 ARG 19 2HB ARG 19 -6.349 -4.247 6.111
147 HB3 ARG 19 3HB ARG 19 -7.492 -3.610 7.290
148 HG2 ARG 19 2HG ARG 19 -9.367 -4.206 5.841
149 HG3 ARG 19 3HG ARG 19 -8.259 -4.780 4.598
150 HD2 ARG 19 2HD ARG 19 -7.466 -6.563 6.100
151 HD3 ARG 19 3HD ARG 19 -8.517 -5.962 7.391
152 HE ARG 19 HE ARG 19 -10.009 -6.545 5.044
153 HH11 ARG 19 1HH1 ARG 19 -8.418 -8.186 7.704
154 HH12 ARG 19 2HH1 ARG 19 -9.463 -9.569 7.643
155 HH21 ARG 19 1HH2 ARG 19 -11.426 -8.331 5.012
156 HH22 ARG 19 2HH2 ARG 19 -11.168 -9.649 6.117
157 H GLU 20 H GLU 20 -4.734 -2.547 6.066
158 HA GLU 20 HA GLU 20 -4.707 -1.039 8.481
159 HB2 GLU 20 2HB GLU 20 -2.290 -1.474 8.510
160 HB3 GLU 20 3HB GLU 20 -3.210 -2.931 8.165
161 HG2 GLU 20 2HG GLU 20 -2.616 -2.815 5.812
162 HG3 GLU 20 3HG GLU 20 -1.813 -1.266 6.060
163 H ILE 21 H ILE 21 -3.787 -0.243 5.153
164 HA ILE 21 HA ILE 21 -2.519 2.237 5.710
165 HB ILE 21 HB ILE 21 -3.929 1.351 3.147
166 HG12 ILE 21 2HG1 ILE 21 -2.003 -0.089 3.721
167 HG13 ILE 21 3HG1 ILE 21 -1.652 0.859 2.287
168 HG21 ILE 21 1HG2 ILE 21 -2.065 3.727 3.552
169 HG22 ILE 21 2HG2 ILE 21 -3.793 3.806 3.199
170 HG23 ILE 21 3HG2 ILE 21 -2.675 3.163 1.997
171 HD11 ILE 21 3HD1 ILE 21 0.285 0.684 3.715
172 HD12 ILE 21 1HD1 ILE 21 -0.600 1.373 5.074
173 HD13 ILE 21 2HD1 ILE 21 -0.248 2.363 3.653
174 H ARG 22 H ARG 22 -5.929 1.332 5.083
175 HA ARG 22 HA ARG 22 -6.860 4.082 5.345
176 HB2 ARG 22 2HB ARG 22 -8.386 1.461 5.090
177 HB3 ARG 22 3HB ARG 22 -9.152 3.049 5.160
178 HG2 ARG 22 2HG ARG 22 -7.999 3.728 3.090
179 HG3 ARG 22 3HG ARG 22 -7.172 2.169 3.028
180 HD2 ARG 22 2HD ARG 22 -9.011 2.127 1.463
181 HD3 ARG 22 3HD ARG 22 -9.401 1.046 2.802
182 HE ARG 22 HE ARG 22 -10.527 3.540 3.384
183 HH11 ARG 22 1HH1 ARG 22 -10.975 1.012 0.953
184 HH12 ARG 22 2HH1 ARG 22 -12.647 1.399 0.698
185 HH21 ARG 22 1HH2 ARG 22 -12.742 3.997 3.035
186 HH22 ARG 22 2HH2 ARG 22 -13.645 3.079 1.868
187 H GLU 23 H GLU 23 -6.151 1.557 7.601
188 HA GLU 23 HA GLU 23 -7.852 2.504 9.728
189 HB2 GLU 23 2HB GLU 23 -5.343 0.775 9.791
190 HB3 GLU 23 3HB GLU 23 -6.281 1.166 11.225
191 HG2 GLU 23 2HG GLU 23 -7.294 -0.376 8.828
192 HG3 GLU 23 3HG GLU 23 -6.798 -1.079 10.359
193 H GLN 24 H GLN 24 -4.562 3.160 8.656
194 HA GLN 24 HA GLN 24 -3.957 4.956 10.897
195 HB2 GLN 24 2HB GLN 24 -2.283 4.304 8.430
196 HB3 GLN 24 3HB GLN 24 -1.717 5.088 9.902
197 HG2 GLN 24 2HG GLN 24 -1.961 3.053 11.179
198 HG3 GLN 24 3HG GLN 24 -2.812 2.263 9.848
199 HE21 GLN 24 1HE2 GLN 24 -1.608 1.603 8.009
200 HE22 GLN 24 2HE2 GLN 24 0.100 1.369 8.097
201 H TRP 25 H TRP 25 -4.382 5.074 7.390
202 HA TRP 25 HA TRP 25 -4.916 8.001 7.465
203 HB2 TRP 25 2HB TRP 25 -3.620 6.491 5.141
204 HB3 TRP 25 3HB TRP 25 -3.811 8.235 5.304
205 HD1 TRP 25 HD1 TRP 25 -2.188 9.430 7.232
206 HE1 TRP 25 HE1 TRP 25 0.147 8.755 8.058
207 HE3 TRP 25 HE3 TRP 25 -2.077 4.587 5.563
208 HZ2 TRP 25 HZ2 TRP 25 1.823 6.497 8.011
209 HZ3 TRP 25 HZ3 TRP 25 -0.064 3.234 5.993
210 HH2 TRP 25 HH2 TRP 25 1.848 4.175 7.192
211 HA PRO 26 HA PRO 26 -8.654 5.688 5.886
212 HB2 PRO 26 2HB PRO 26 -10.588 7.203 7.067
213 HB3 PRO 26 3HB PRO 26 -9.633 6.017 7.980
214 HG2 PRO 26 2HG PRO 26 -9.243 8.990 7.811
215 HG3 PRO 26 3HG PRO 26 -9.237 7.942 9.248
216 HD2 PRO 26 2HD PRO 26 -6.935 8.774 8.032
217 HD3 PRO 26 3HD PRO 26 -7.058 7.215 8.877
218 H LYS 27 H LYS 27 -7.588 8.889 5.374
219 HA LYS 27 HA LYS 27 -9.434 9.293 3.093
220 HB2 LYS 27 2HB LYS 27 -9.047 11.752 3.411
221 HB3 LYS 27 3HB LYS 27 -9.941 10.977 4.710
222 HG2 LYS 27 2HG LYS 27 -7.901 10.970 6.121
223 HG3 LYS 27 3HG LYS 27 -7.002 11.749 4.810
224 HD2 LYS 27 2HD LYS 27 -7.724 13.421 6.488
225 HD3 LYS 27 3HD LYS 27 -8.501 13.713 4.931
226 HE2 LYS 27 2HE LYS 27 -10.522 12.433 5.836
227 HE3 LYS 27 3HE LYS 27 -9.739 12.486 7.417
228 HZ1 LYS 27 3HZ LYS 27 -9.742 14.895 7.296
229 HZ2 LYS 27 1HZ LYS 27 -11.313 14.288 7.146
230 HZ3 LYS 27 2HZ LYS 27 -10.491 14.847 5.780
231 H ALA 28 H ALA 28 -7.139 7.733 2.874
232 HA ALA 28 HA ALA 28 -5.257 9.372 1.273
233 HB1 ALA 28 3HB ALA 28 -4.674 6.763 2.752
234 HB2 ALA 28 1HB ALA 28 -4.025 8.351 3.161
235 HB3 ALA 28 2HB ALA 28 -3.566 7.577 1.644
236 H THR 29 H THR 29 -5.632 8.882 -0.931
237 HA THR 29 HA THR 29 -7.747 7.156 -1.581
238 HB THR 29 HB THR 29 -5.697 8.344 -3.490
239 HG1 THR 29 HG1 THR 29 -7.487 9.988 -3.645
240 HG21 THR 29 3HG2 THR 29 -7.547 8.277 -5.138
241 HG22 THR 29 1HG2 THR 29 -8.586 7.490 -3.948
242 HG23 THR 29 2HG2 THR 29 -7.151 6.659 -4.557
243 H VAL 30 H VAL 30 -7.498 5.007 -1.261
244 HA VAL 30 HA VAL 30 -5.308 3.553 -2.650
245 HB VAL 30 HB VAL 30 -7.086 2.445 -0.409
246 HG11 VAL 30 1HG1 VAL 30 -4.516 1.351 -1.623
247 HG12 VAL 30 2HG1 VAL 30 -6.142 0.722 -1.894
248 HG13 VAL 30 3HG1 VAL 30 -5.418 0.625 -0.288
249 HG21 VAL 30 3HG2 VAL 30 -5.715 4.280 0.497
250 HG22 VAL 30 1HG2 VAL 30 -4.253 3.520 -0.134
251 HG23 VAL 30 2HG2 VAL 30 -5.187 2.723 1.136
252 H THR 31 H THR 31 -5.955 2.604 -4.465
253 HA THR 31 HA THR 31 -8.800 2.148 -5.057
254 HB THR 31 HB THR 31 -6.342 1.907 -6.862
255 HG1 THR 31 HG1 THR 31 -7.243 4.064 -6.014
256 HG21 THR 31 3HG2 THR 31 -9.301 1.822 -7.594
257 HG22 THR 31 1HG2 THR 31 -8.175 0.463 -7.690
258 HG23 THR 31 2HG2 THR 31 -7.964 1.861 -8.745
259 H ARG 32 H ARG 32 -9.664 0.051 -5.335
260 HA ARG 32 HA ARG 32 -8.159 -2.081 -4.070
261 HB2 ARG 32 2HB ARG 32 -10.608 -1.624 -3.566
262 HB3 ARG 32 3HB ARG 32 -10.986 -2.145 -5.205
263 HG2 ARG 32 2HG ARG 32 -10.004 -4.383 -4.682
264 HG3 ARG 32 3HG ARG 32 -9.724 -3.838 -3.027
265 HD2 ARG 32 2HD ARG 32 -12.205 -3.463 -2.803
266 HD3 ARG 32 3HD ARG 32 -12.406 -4.192 -4.404
267 HE ARG 32 HE ARG 32 -11.111 -5.644 -2.182
268 HH11 ARG 32 1HH1 ARG 32 -13.627 -5.569 -4.636
269 HH12 ARG 32 2HH1 ARG 32 -14.106 -7.213 -4.347
270 HH21 ARG 32 1HH2 ARG 32 -11.728 -7.764 -1.828
271 HH22 ARG 32 2HH2 ARG 32 -13.027 -8.459 -2.754
272 H THR 33 H THR 33 -6.954 -3.446 -5.275
273 HA THR 33 HA THR 33 -7.498 -3.873 -8.101
274 HB THR 33 HB THR 33 -4.905 -3.433 -8.510
275 HG1 THR 33 HG1 THR 33 -4.709 -2.920 -6.140
276 HG21 THR 33 3HG2 THR 33 -6.664 -2.106 -9.636
277 HG22 THR 33 1HG2 THR 33 -5.313 -1.080 -9.151
278 HG23 THR 33 2HG2 THR 33 -6.807 -1.073 -8.212
279 H ASN 34 H ASN 34 -6.942 -5.888 -8.695
280 HA ASN 34 HA ASN 34 -5.736 -7.688 -6.684
281 HB2 ASN 34 2HB ASN 34 -7.330 -8.365 -9.196
282 HB3 ASN 34 3HB ASN 34 -6.739 -9.524 -8.004
283 HD21 ASN 34 1HD2 ASN 34 -7.740 -9.549 -5.917
284 HD22 ASN 34 2HD2 ASN 34 -9.310 -8.871 -5.673
285 H GLY 35 H GLY 35 -3.689 -8.279 -6.975
286 HA2 GLY 35 2HA GLY 35 -1.859 -9.152 -8.248
287 HA3 GLY 35 3HA GLY 35 -2.442 -8.287 -9.663
288 H ASP 36 H ASP 36 -2.973 -5.837 -8.082
289 HA ASP 36 HA ASP 36 -0.299 -4.962 -7.214
290 HB2 ASP 36 2HB ASP 36 -2.025 -3.472 -9.251
291 HB3 ASP 36 3HB ASP 36 -0.610 -2.779 -8.462
292 H ILE 37 H ILE 37 -0.492 -2.737 -6.148
293 HA ILE 37 HA ILE 37 -3.153 -2.088 -5.055
294 HB ILE 37 HB ILE 37 -0.611 -2.445 -3.374
295 HG12 ILE 37 2HG1 ILE 37 -2.029 -4.459 -3.563
296 HG13 ILE 37 3HG1 ILE 37 -2.091 -3.841 -1.916
297 HG21 ILE 37 1HG2 ILE 37 -3.122 -0.932 -2.523
298 HG22 ILE 37 2HG2 ILE 37 -1.510 -0.248 -2.743
299 HG23 ILE 37 3HG2 ILE 37 -1.806 -1.402 -1.445
300 HD11 ILE 37 3HD1 ILE 37 -4.290 -2.794 -2.445
301 HD12 ILE 37 1HD1 ILE 37 -4.281 -4.550 -2.609
302 HD13 ILE 37 2HD1 ILE 37 -4.213 -3.536 -4.046
303 H LYS 38 H LYS 38 -3.505 -0.180 -5.988
304 HA LYS 38 HA LYS 38 -1.323 1.746 -6.377
305 HB2 LYS 38 2HB LYS 38 -4.226 1.776 -7.316
306 HB3 LYS 38 3HB LYS 38 -3.031 3.019 -7.691
307 HG2 LYS 38 2HG LYS 38 -1.619 1.272 -8.805
308 HG3 LYS 38 3HG LYS 38 -2.920 0.106 -8.538
309 HD2 LYS 38 2HD LYS 38 -4.438 1.429 -9.947
310 HD3 LYS 38 3HD LYS 38 -3.198 2.674 -10.153
311 HE2 LYS 38 2HE LYS 38 -1.746 1.032 -11.295
312 HE3 LYS 38 3HE LYS 38 -2.992 -0.202 -11.105
313 HZ1 LYS 38 3HZ LYS 38 -3.286 2.318 -12.641
314 HZ2 LYS 38 1HZ LYS 38 -4.466 1.121 -12.477
315 HZ3 LYS 38 2HZ LYS 38 -3.027 0.783 -13.301
316 H LEU 39 H LEU 39 -1.098 3.527 -5.187
317 HA LEU 39 HA LEU 39 -3.019 4.226 -3.065
318 HB2 LEU 39 2HB LEU 39 -1.138 2.423 -2.457
319 HB3 LEU 39 3HB LEU 39 -0.071 3.805 -2.424
320 HG LEU 39 HG LEU 39 -2.480 3.362 -0.606
321 HD11 LEU 39 1HD1 LEU 39 -0.651 1.853 -0.073
322 HD12 LEU 39 2HD1 LEU 39 -0.793 3.079 1.182
323 HD13 LEU 39 3HD1 LEU 39 0.497 3.196 -0.018
324 HD21 LEU 39 3HD2 LEU 39 -0.464 5.633 -0.519
325 HD22 LEU 39 1HD2 LEU 39 -1.725 5.316 0.676
326 HD23 LEU 39 2HD2 LEU 39 -2.166 5.767 -0.969
327 H ASP 40 H ASP 40 -2.900 6.422 -2.564
328 HA ASP 40 HA ASP 40 -0.888 8.087 -3.982
329 HB2 ASP 40 2HB ASP 40 -3.790 8.789 -3.339
330 HB3 ASP 40 3HB ASP 40 -2.620 9.864 -4.105
331 H ALA 41 H ALA 41 0.532 8.453 -2.405
332 HA ALA 41 HA ALA 41 -0.212 9.289 0.296
333 HB1 ALA 41 3HB ALA 41 1.758 7.849 -0.022
334 HB2 ALA 41 1HB ALA 41 2.230 9.397 0.683
335 HB3 ALA 41 2HB ALA 41 2.521 9.079 -1.031
336 H GLN 42 H GLN 42 -0.291 11.403 1.001
337 HA GLN 42 HA GLN 42 -0.401 13.534 -0.896
338 HB2 GLN 42 2HB GLN 42 -0.721 15.038 1.014
339 HB3 GLN 42 3HB GLN 42 -1.692 13.585 1.220
340 HG2 GLN 42 2HG GLN 42 -0.045 12.681 2.798
341 HG3 GLN 42 3HG GLN 42 0.970 14.102 2.576
342 HE21 GLN 42 1HE2 GLN 42 -0.240 13.047 5.012
343 HE22 GLN 42 2HE2 GLN 42 -1.185 14.335 5.663
344 H THR 43 H THR 43 2.164 12.303 1.147
345 HA THR 43 HA THR 43 4.153 14.119 -0.052
346 HB THR 43 HB THR 43 5.226 14.393 2.265
347 HG1 THR 43 HG1 THR 43 2.808 13.986 3.556
348 HG21 THR 43 3HG2 THR 43 3.958 16.279 1.261
349 HG22 THR 43 1HG2 THR 43 3.774 16.233 3.016
350 HG23 THR 43 2HG2 THR 43 2.470 15.656 1.980
351 H GLU 44 H GLU 44 6.359 13.421 0.435
352 HA GLU 44 HA GLU 44 6.842 10.654 0.039
353 HB2 GLU 44 2HB GLU 44 8.354 12.286 -0.915
354 HB3 GLU 44 3HB GLU 44 8.646 13.034 0.651
355 HG2 GLU 44 2HG GLU 44 10.563 11.683 -0.203
356 HG3 GLU 44 3HG GLU 44 9.988 11.179 1.381
357 H LYS 45 H LYS 45 7.031 12.815 2.833
358 HA LYS 45 HA LYS 45 8.311 11.127 4.689
359 HB2 LYS 45 2HB LYS 45 8.093 13.561 4.975
360 HB3 LYS 45 3HB LYS 45 6.344 13.413 5.123
361 HG2 LYS 45 2HG LYS 45 6.628 12.150 7.242
362 HG3 LYS 45 3HG LYS 45 8.383 12.282 7.083
363 HD2 LYS 45 2HD LYS 45 7.478 13.961 8.671
364 HD3 LYS 45 3HD LYS 45 8.249 14.730 7.281
365 HE2 LYS 45 2HE LYS 45 5.998 15.075 6.258
366 HE3 LYS 45 3HE LYS 45 5.257 14.352 7.684
367 HZ1 LYS 45 3HZ LYS 45 6.933 16.801 7.718
368 HZ2 LYS 45 1HZ LYS 45 6.104 16.129 9.025
369 HZ3 LYS 45 2HZ LYS 45 5.243 16.783 7.727
370 H GLU 46 H GLU 46 4.959 11.263 3.607
371 HA GLU 46 HA GLU 46 3.927 9.572 5.754
372 HB2 GLU 46 2HB GLU 46 2.531 11.397 4.818
373 HB3 GLU 46 3HB GLU 46 2.614 10.660 3.223
374 HG2 GLU 46 2HG GLU 46 1.369 8.703 4.048
375 HG3 GLU 46 3HG GLU 46 1.317 9.395 5.667
376 H ALA 47 H ALA 47 4.710 9.470 2.287
377 HA ALA 47 HA ALA 47 4.001 6.858 1.627
378 HB1 ALA 47 3HB ALA 47 6.338 8.447 0.512
379 HB2 ALA 47 1HB ALA 47 4.663 8.560 -0.030
380 HB3 ALA 47 2HB ALA 47 5.556 7.056 -0.250
381 H GLU 48 H GLU 48 6.870 8.045 3.320
382 HA GLU 48 HA GLU 48 8.555 5.807 3.229
383 HB2 GLU 48 2HB GLU 48 8.165 7.778 5.533
384 HB3 GLU 48 3HB GLU 48 9.505 6.641 5.397
385 HG2 GLU 48 2HG GLU 48 10.124 7.804 3.222
386 HG3 GLU 48 3HG GLU 48 8.931 9.029 3.639
387 H LYS 49 H LYS 49 5.823 6.545 5.299
388 HA LYS 49 HA LYS 49 6.195 4.314 7.122
389 HB2 LYS 49 2HB LYS 49 3.845 6.241 6.868
390 HB3 LYS 49 3HB LYS 49 4.250 5.237 8.261
391 HG2 LYS 49 2HG LYS 49 6.259 6.543 8.705
392 HG3 LYS 49 3HG LYS 49 6.035 7.457 7.209
393 HD2 LYS 49 2HD LYS 49 5.339 8.770 9.167
394 HD3 LYS 49 3HD LYS 49 3.978 8.449 8.090
395 HE2 LYS 49 2HE LYS 49 3.325 8.180 10.441
396 HE3 LYS 49 3HE LYS 49 3.216 6.639 9.592
397 HZ1 LYS 49 3HZ LYS 49 4.227 6.391 11.772
398 HZ2 LYS 49 1HZ LYS 49 5.446 7.490 11.364
399 HZ3 LYS 49 2HZ LYS 49 5.344 6.008 10.561
400 H MET 50 H MET 50 4.036 5.304 4.597
401 HA MET 50 HA MET 50 2.156 3.226 4.530
402 HB2 MET 50 2HB MET 50 3.203 4.965 2.266
403 HB3 MET 50 3HB MET 50 1.906 3.795 2.030
404 HG2 MET 50 2HG MET 50 0.576 4.949 3.764
405 HG3 MET 50 3HG MET 50 1.861 6.153 3.917
406 HE1 MET 50 3HE MET 50 -1.432 6.352 3.016
407 HE2 MET 50 1HE MET 50 -1.264 7.785 2.004
408 HE3 MET 50 2HE MET 50 -0.429 7.703 3.556
409 H GLU 51 H GLU 51 5.003 3.470 2.335
410 HA GLU 51 HA GLU 51 4.976 0.881 1.338
411 HB2 GLU 51 2HB GLU 51 7.219 1.266 0.565
412 HB3 GLU 51 3HB GLU 51 6.396 2.821 0.518
413 HG2 GLU 51 2HG GLU 51 7.461 3.384 2.709
414 HG3 GLU 51 3HG GLU 51 8.377 1.886 2.614
415 H LYS 52 H LYS 52 6.319 2.072 4.373
416 HA LYS 52 HA LYS 52 7.970 -0.163 5.044
417 HB2 LYS 52 2HB LYS 52 8.297 2.084 6.005
418 HB3 LYS 52 3HB LYS 52 6.751 1.981 6.835
419 HG2 LYS 52 2HG LYS 52 7.564 0.297 8.339
420 HG3 LYS 52 3HG LYS 52 9.020 0.034 7.377
421 HD2 LYS 52 2HD LYS 52 8.364 2.618 8.852
422 HD3 LYS 52 3HD LYS 52 9.455 1.366 9.450
423 HE2 LYS 52 2HE LYS 52 10.939 1.721 7.501
424 HE3 LYS 52 3HE LYS 52 9.839 2.959 6.888
425 HZ1 LYS 52 3HZ LYS 52 10.289 4.285 8.855
426 HZ2 LYS 52 1HZ LYS 52 11.728 3.918 8.046
427 HZ3 LYS 52 2HZ LYS 52 11.321 3.088 9.460
428 H ALA 53 H ALA 53 4.672 0.775 5.765
429 HA ALA 53 HA ALA 53 3.881 -1.256 7.530
430 HB1 ALA 53 3HB ALA 53 2.573 0.781 7.168
431 HB2 ALA 53 1HB ALA 53 1.580 -0.635 6.821
432 HB3 ALA 53 2HB ALA 53 2.255 0.318 5.494
433 H VAL 54 H VAL 54 3.629 -1.001 3.990
434 HA VAL 54 HA VAL 54 2.397 -3.444 3.412
435 HB VAL 54 HB VAL 54 4.389 -1.897 1.688
436 HG11 VAL 54 1HG1 VAL 54 3.310 -2.985 -0.241
437 HG12 VAL 54 2HG1 VAL 54 2.299 -3.934 0.848
438 HG13 VAL 54 3HG1 VAL 54 4.047 -4.173 0.836
439 HG21 VAL 54 3HG2 VAL 54 2.516 -0.467 2.396
440 HG22 VAL 54 1HG2 VAL 54 1.356 -1.658 1.804
441 HG23 VAL 54 2HG2 VAL 54 2.411 -0.811 0.670
442 H LYS 55 H LYS 55 5.874 -2.639 3.490
443 HA LYS 55 HA LYS 55 7.008 -5.105 2.858
444 HB2 LYS 55 2HB LYS 55 8.113 -2.944 4.694
445 HB3 LYS 55 3HB LYS 55 9.070 -4.257 4.010
446 HG2 LYS 55 2HG LYS 55 8.761 -3.403 1.766
447 HG3 LYS 55 3HG LYS 55 7.616 -2.186 2.338
448 HD2 LYS 55 2HD LYS 55 9.469 -1.161 3.707
449 HD3 LYS 55 3HD LYS 55 10.591 -2.319 2.987
450 HE2 LYS 55 2HE LYS 55 10.096 -1.380 0.744
451 HE3 LYS 55 3HE LYS 55 8.995 -0.215 1.483
452 HZ1 LYS 55 3HZ LYS 55 11.131 0.782 1.060
453 HZ2 LYS 55 1HZ LYS 55 11.918 -0.410 1.972
454 HZ3 LYS 55 2HZ LYS 55 10.874 0.684 2.722
455 H LYS 56 H LYS 56 5.651 -4.076 5.935
456 HA LYS 56 HA LYS 56 6.785 -6.181 7.551
457 HB2 LYS 56 2HB LYS 56 4.432 -4.305 8.015
458 HB3 LYS 56 3HB LYS 56 5.039 -5.422 9.232
459 HG2 LYS 56 2HG LYS 56 6.728 -3.249 7.961
460 HG3 LYS 56 3HG LYS 56 5.842 -3.040 9.469
461 HD2 LYS 56 2HD LYS 56 7.954 -5.187 9.038
462 HD3 LYS 56 3HD LYS 56 8.294 -3.607 9.741
463 HE2 LYS 56 2HE LYS 56 6.361 -5.651 10.888
464 HE3 LYS 56 3HE LYS 56 7.991 -5.332 11.483
465 HZ1 LYS 56 3HZ LYS 56 5.712 -3.424 11.473
466 HZ2 LYS 56 1HZ LYS 56 7.294 -3.036 11.948
467 HZ3 LYS 56 2HZ LYS 56 6.403 -4.171 12.819
468 H VAL 57 H VAL 57 3.869 -5.809 5.641
469 HA VAL 57 HA VAL 57 2.549 -8.229 6.533
470 HB VAL 57 HB VAL 57 2.051 -6.494 4.058
471 HG11 VAL 57 1HG1 VAL 57 -0.199 -7.504 3.989
472 HG12 VAL 57 2HG1 VAL 57 0.219 -8.557 5.341
473 HG13 VAL 57 3HG1 VAL 57 1.053 -8.734 3.795
474 HG21 VAL 57 3HG2 VAL 57 0.706 -6.397 6.779
475 HG22 VAL 57 1HG2 VAL 57 0.245 -5.447 5.364
476 HG23 VAL 57 2HG2 VAL 57 1.819 -5.194 6.120
477 H LYS 58 H LYS 58 4.882 -7.340 4.110
478 HA LYS 58 HA LYS 58 5.126 -10.014 3.055
479 HB2 LYS 58 2HB LYS 58 4.738 -9.283 0.652
480 HB3 LYS 58 3HB LYS 58 3.293 -9.400 1.645
481 HG2 LYS 58 2HG LYS 58 3.312 -6.925 1.928
482 HG3 LYS 58 3HG LYS 58 4.723 -6.832 0.879
483 HD2 LYS 58 2HD LYS 58 2.007 -7.912 0.030
484 HD3 LYS 58 3HD LYS 58 2.569 -6.269 -0.271
485 HE2 LYS 58 2HE LYS 58 2.934 -7.455 -2.295
486 HE3 LYS 58 3HE LYS 58 4.520 -7.313 -1.555
487 HZ1 LYS 58 3HZ LYS 58 2.780 -9.717 -1.500
488 HZ2 LYS 58 1HZ LYS 58 4.307 -9.612 -0.792
489 HZ3 LYS 58 2HZ LYS 58 4.146 -9.514 -2.466
490 HA PRO 59 HA PRO 59 9.315 -8.043 3.345
491 HB2 PRO 59 2HB PRO 59 9.918 -10.918 2.617
492 HB3 PRO 59 3HB PRO 59 10.707 -9.862 3.813
493 HG2 PRO 59 2HG PRO 59 9.011 -11.719 4.636
494 HG3 PRO 59 3HG PRO 59 8.980 -10.101 5.378
495 HD2 PRO 59 2HD PRO 59 7.086 -11.290 3.359
496 HD3 PRO 59 3HD PRO 59 6.744 -10.221 4.739
497 H ASN 60 H ASN 60 7.919 -9.983 0.707
498 HA ASN 60 HA ASN 60 9.878 -8.958 -1.235
499 HB2 ASN 60 2HB ASN 60 9.063 -11.447 -1.103
500 HB3 ASN 60 3HB ASN 60 7.578 -10.866 -1.845
501 HD21 ASN 60 1HD2 ASN 60 7.687 -10.063 -4.013
502 HD22 ASN 60 2HD2 ASN 60 9.011 -10.442 -5.049
503 H ALA 61 H ALA 61 7.807 -7.219 0.093
504 HA ALA 61 HA ALA 61 5.923 -6.316 -1.776
505 HB1 ALA 61 3HB ALA 61 6.027 -4.157 -0.593
506 HB2 ALA 61 1HB ALA 61 7.521 -4.656 0.208
507 HB3 ALA 61 2HB ALA 61 6.010 -5.501 0.550
508 H THR 62 H THR 62 6.428 -5.933 -3.890
509 HA THR 62 HA THR 62 8.855 -4.406 -4.578
510 HB THR 62 HB THR 62 6.809 -5.700 -6.443
511 HG1 THR 62 HG1 THR 62 9.205 -6.921 -6.459
512 HG21 THR 62 3HG2 THR 62 9.603 -4.610 -7.003
513 HG22 THR 62 1HG2 THR 62 8.083 -3.886 -7.542
514 HG23 THR 62 2HG2 THR 62 8.581 -5.460 -8.165
515 H ILE 63 H ILE 63 8.469 -2.342 -4.120
516 HA ILE 63 HA ILE 63 5.824 -1.122 -4.612
517 HB ILE 63 HB ILE 63 8.092 -0.216 -2.753
518 HG12 ILE 63 2HG1 ILE 63 5.442 -1.498 -1.963
519 HG13 ILE 63 3HG1 ILE 63 6.925 -2.422 -2.147
520 HG21 ILE 63 1HG2 ILE 63 6.430 1.346 -1.789
521 HG22 ILE 63 2HG2 ILE 63 5.232 0.822 -2.972
522 HG23 ILE 63 3HG2 ILE 63 6.680 1.678 -3.506
523 HD11 ILE 63 3HD1 ILE 63 6.505 -1.969 0.152
524 HD12 ILE 63 1HD1 ILE 63 6.394 -0.238 -0.156
525 HD13 ILE 63 2HD1 ILE 63 7.933 -1.076 -0.366
526 H ARG 64 H ARG 64 5.677 0.287 -6.203
527 HA ARG 64 HA ARG 64 8.103 1.212 -7.629
528 HB2 ARG 64 2HB ARG 64 5.214 1.090 -8.641
529 HB3 ARG 64 3HB ARG 64 6.648 1.463 -9.596
530 HG2 ARG 64 2HG ARG 64 7.482 -0.835 -9.288
531 HG3 ARG 64 3HG ARG 64 6.094 -1.205 -8.261
532 HD2 ARG 64 2HD ARG 64 5.613 -2.114 -10.413
533 HD3 ARG 64 3HD ARG 64 4.603 -0.681 -10.238
534 HE ARG 64 HE ARG 64 7.005 -0.944 -11.942
535 HH11 ARG 64 1HH1 ARG 64 4.137 0.918 -11.083
536 HH12 ARG 64 2HH1 ARG 64 4.242 1.943 -12.482
537 HH21 ARG 64 1HH2 ARG 64 7.114 0.381 -13.759
538 HH22 ARG 64 2HH2 ARG 64 5.932 1.635 -14.000
539 H LYS 65 H LYS 65 8.633 3.178 -6.926
540 HA LYS 65 HA LYS 65 6.567 5.059 -5.951
541 HB2 LYS 65 2HB LYS 65 9.546 4.945 -5.320
542 HB3 LYS 65 3HB LYS 65 8.424 6.152 -4.706
543 HG2 LYS 65 2HG LYS 65 7.126 4.233 -3.618
544 HG3 LYS 65 3HG LYS 65 8.485 3.191 -4.054
545 HD2 LYS 65 2HD LYS 65 8.694 3.991 -1.721
546 HD3 LYS 65 3HD LYS 65 10.014 4.600 -2.723
547 HE2 LYS 65 2HE LYS 65 8.726 6.763 -2.972
548 HE3 LYS 65 3HE LYS 65 7.555 6.132 -1.808
549 HZ1 LYS 65 3HZ LYS 65 10.447 6.482 -1.249
550 HZ2 LYS 65 1HZ LYS 65 9.245 6.039 -0.154
551 HZ3 LYS 65 2HZ LYS 65 9.234 7.578 -0.820
552 H THR 66 H THR 66 6.729 7.257 -6.464
553 HA THR 66 HA THR 66 8.663 8.289 -8.305
554 HB THR 66 HB THR 66 7.172 7.187 -9.949
555 HG1 THR 66 HG1 THR 66 8.121 9.107 -10.614
556 HG21 THR 66 3HG2 THR 66 4.951 8.975 -8.887
557 HG22 THR 66 1HG2 THR 66 5.041 7.224 -8.682
558 HG23 THR 66 2HG2 THR 66 4.845 7.916 -10.294
559 H GLY 67 H GLY 67 8.898 10.421 -7.926
560 HA2 GLY 67 2HA GLY 67 7.432 11.657 -5.763
561 HA3 GLY 67 3HA GLY 67 8.813 12.319 -6.624
562 H GLY 68 H GLY 68 5.342 11.635 -7.006
563 HA2 GLY 68 2HA GLY 68 5.019 13.513 -9.210
564 HA3 GLY 68 3HA GLY 68 3.772 12.525 -8.464
565 H SER 69 H SER 69 5.954 15.197 -7.498
566 HA SER 69 HA SER 69 3.945 16.261 -5.646
567 HB2 SER 69 2HB SER 69 6.285 16.069 -4.870
568 HB3 SER 69 3HB SER 69 6.835 17.094 -6.193
569 HG SER 69 HG SER 69 6.659 18.397 -4.448
570 H LEU 70 H LEU 70 2.409 17.010 -7.165
571 HA LEU 70 HA LEU 70 3.020 19.034 -9.133
572 HB2 LEU 70 2HB LEU 70 0.410 17.859 -8.100
573 HB3 LEU 70 3HB LEU 70 0.416 19.239 -9.183
574 HG LEU 70 HG LEU 70 0.009 17.286 -10.527
575 HD11 LEU 70 1HD1 LEU 70 2.901 18.102 -10.961
576 HD12 LEU 70 2HD1 LEU 70 1.480 18.966 -11.552
577 HD13 LEU 70 3HD1 LEU 70 1.834 17.347 -12.150
578 HD21 LEU 70 3HD2 LEU 70 2.511 16.005 -9.363
579 HD22 LEU 70 1HD2 LEU 70 1.496 15.324 -10.639
580 HD23 LEU 70 2HD2 LEU 70 0.845 15.538 -9.015
581 H GLU 71 H GLU 71 2.757 21.198 -8.974
582 HA GLU 71 HA GLU 71 3.224 22.365 -6.401
583 HB2 GLU 71 2HB GLU 71 2.752 23.696 -9.106
584 HB3 GLU 71 3HB GLU 71 3.450 24.476 -7.687
585 HG2 GLU 71 2HG GLU 71 5.455 23.172 -7.834
586 HG3 GLU 71 3HG GLU 71 4.727 22.071 -9.003
587 H HIS 72 H HIS 72 1.548 22.798 -4.991
588 HA HIS 72 HA HIS 72 -0.902 24.096 -6.022
589 HB2 HIS 72 2HB HIS 72 -1.798 23.913 -3.710
590 HB3 HIS 72 3HB HIS 72 -1.361 22.352 -4.383
591 HD1 HIS 72 HD1 HIS 72 -0.649 24.654 -1.572
592 HD2 HIS 72 HD2 HIS 72 0.874 21.091 -3.085
593 HE1 HIS 72 HE1 HIS 72 0.794 23.711 0.244
594 HE2 HIS 72 HE2 HIS 72 1.825 21.643 -0.747
595 H HIS 73 H HIS 73 0.327 25.859 -6.782
596 HA HIS 73 HA HIS 73 1.871 27.473 -4.839
597 HB2 HIS 73 2HB HIS 73 3.063 26.445 -6.813
598 HB3 HIS 73 3HB HIS 73 2.056 27.400 -7.895
599 HD1 HIS 73 HD1 HIS 73 2.950 29.653 -8.513
600 HD2 HIS 73 HD2 HIS 73 4.797 28.154 -5.108
601 HE1 HIS 73 HE1 HIS 73 4.794 31.273 -7.974
602 HE2 HIS 73 HE2 HIS 73 5.849 30.376 -5.881
603 H HIS 74 H HIS 74 -1.189 27.584 -5.673
604 HA HIS 74 HA HIS 74 -1.554 30.269 -6.671
605 HB2 HIS 74 2HB HIS 74 -3.461 28.316 -5.318
606 HB3 HIS 74 3HB HIS 74 -3.957 29.954 -5.733
607 HD1 HIS 74 HD1 HIS 74 -5.504 29.628 -7.655
608 HD2 HIS 74 HD2 HIS 74 -2.042 27.376 -8.080
609 HE1 HIS 74 HE1 HIS 74 -5.674 28.548 -9.909
610 HE2 HIS 74 HE2 HIS 74 -3.632 27.098 -10.093
611 H HIS 75 H HIS 75 -0.637 29.013 -3.628
612 HA HIS 75 HA HIS 75 0.034 29.972 -1.689
613 HB2 HIS 75 2HB HIS 75 0.708 31.976 -3.038
614 HB3 HIS 75 3HB HIS 75 -0.904 32.640 -2.853
615 HD1 HIS 75 HD1 HIS 75 -1.120 34.295 -1.063
616 HD2 HIS 75 HD2 HIS 75 2.012 31.686 -0.320
617 HE1 HIS 75 HE1 HIS 75 -0.064 35.113 1.049
618 HE2 HIS 75 HE2 HIS 75 1.936 33.631 1.376
619 H HIS 76 H HIS 76 -2.923 29.384 -2.612
620 HA HIS 76 HA HIS 76 -4.320 30.282 -0.149
621 HB2 HIS 76 2HB HIS 76 -5.394 29.725 -2.954
622 HB3 HIS 76 3HB HIS 76 -6.429 29.925 -1.550
623 HD1 HIS 76 HD1 HIS 76 -6.710 32.319 -0.597
624 HD2 HIS 76 HD2 HIS 76 -4.314 32.113 -3.984
625 HE1 HIS 76 HE1 HIS 76 -6.473 34.681 -1.407
626 HE2 HIS 76 HE2 HIS 76 -5.147 34.505 -3.530
627 H HIS 77 H HIS 77 -6.478 28.511 -0.183
628 HA HIS 77 HA HIS 77 -5.237 25.845 0.027
629 HB2 HIS 77 2HB HIS 77 -7.426 25.173 1.124
630 HB3 HIS 77 3HB HIS 77 -6.470 26.352 2.000
631 HD1 HIS 77 HD1 HIS 77 -7.541 28.586 2.521
632 HD2 HIS 77 HD2 HIS 77 -9.907 26.228 0.056
633 HE1 HIS 77 HE1 HIS 77 -9.791 29.686 2.496
634 HE2 HIS 77 HE2 HIS 77 -11.235 28.161 1.122
Start of MODEL 18
1 H1 MET 1 1H MET 1 0.718 13.492 -6.979
2 H2 MET 1 2H MET 1 -0.918 13.192 -6.696
3 H3 MET 1 3H MET 1 0.013 12.063 -7.542
4 HA MET 1 HA MET 1 0.408 12.842 -4.720
5 HB2 MET 1 2HB MET 1 -0.540 10.685 -4.107
6 HB3 MET 1 3HB MET 1 -1.694 11.529 -5.127
7 HG2 MET 1 2HG MET 1 0.154 9.327 -6.097
8 HG3 MET 1 3HG MET 1 -1.528 9.099 -5.622
9 HE1 MET 1 3HE MET 1 -3.140 11.494 -6.845
10 HE2 MET 1 1HE MET 1 -3.599 9.805 -7.089
11 HE3 MET 1 2HE MET 1 -3.495 10.899 -8.466
12 H VAL 2 H VAL 2 1.830 11.149 -3.599
13 HA VAL 2 HA VAL 2 4.002 10.167 -5.292
14 HB VAL 2 HB VAL 2 3.589 9.615 -2.312
15 HG11 VAL 2 1HG1 VAL 2 6.012 9.071 -2.317
16 HG12 VAL 2 2HG1 VAL 2 6.071 9.349 -4.058
17 HG13 VAL 2 3HG1 VAL 2 5.113 8.016 -3.412
18 HG21 VAL 2 3HG2 VAL 2 5.243 11.812 -3.593
19 HG22 VAL 2 1HG2 VAL 2 5.203 11.422 -1.872
20 HG23 VAL 2 2HG2 VAL 2 3.754 12.035 -2.671
21 H ASP 3 H ASP 3 3.650 8.399 -6.388
22 HA ASP 3 HA ASP 3 1.431 6.602 -5.854
23 HB2 ASP 3 2HB ASP 3 3.473 6.709 -8.125
24 HB3 ASP 3 3HB ASP 3 2.137 5.558 -8.048
25 H LEU 4 H LEU 4 1.920 5.290 -4.149
26 HA LEU 4 HA LEU 4 4.216 3.444 -4.413
27 HB2 LEU 4 2HB LEU 4 2.067 3.640 -2.250
28 HB3 LEU 4 3HB LEU 4 3.467 2.580 -2.209
29 HG LEU 4 HG LEU 4 3.579 5.627 -2.115
30 HD11 LEU 4 1HD1 LEU 4 2.631 4.713 -0.064
31 HD12 LEU 4 2HD1 LEU 4 4.244 5.356 0.229
32 HD13 LEU 4 3HD1 LEU 4 3.999 3.612 0.110
33 HD21 LEU 4 3HD2 LEU 4 5.817 3.601 -1.807
34 HD22 LEU 4 1HD2 LEU 4 5.961 5.349 -1.591
35 HD23 LEU 4 2HD2 LEU 4 5.573 4.688 -3.177
36 H LYS 5 H LYS 5 3.766 1.850 -5.889
37 HA LYS 5 HA LYS 5 1.002 0.787 -6.068
38 HB2 LYS 5 2HB LYS 5 1.973 2.117 -8.016
39 HB3 LYS 5 3HB LYS 5 3.160 0.836 -8.234
40 HG2 LYS 5 2HG LYS 5 1.413 -0.760 -8.804
41 HG3 LYS 5 3HG LYS 5 0.149 0.401 -8.388
42 HD2 LYS 5 2HD LYS 5 2.128 0.643 -10.694
43 HD3 LYS 5 3HD LYS 5 0.403 0.294 -10.824
44 HE2 LYS 5 2HE LYS 5 -0.084 2.543 -9.821
45 HE3 LYS 5 3HE LYS 5 1.647 2.886 -9.830
46 HZ1 LYS 5 3HZ LYS 5 0.600 3.859 -11.735
47 HZ2 LYS 5 1HZ LYS 5 -0.063 2.381 -12.197
48 HZ3 LYS 5 2HZ LYS 5 1.607 2.607 -12.257
49 H ILE 6 H ILE 6 0.905 -1.199 -5.123
50 HA ILE 6 HA ILE 6 3.471 -2.620 -4.665
51 HB ILE 6 HB ILE 6 0.968 -2.793 -2.912
52 HG12 ILE 6 2HG1 ILE 6 2.610 -1.627 -1.183
53 HG13 ILE 6 3HG1 ILE 6 3.470 -1.079 -2.613
54 HG21 ILE 6 1HG2 ILE 6 2.446 -4.029 -1.351
55 HG22 ILE 6 2HG2 ILE 6 3.774 -3.905 -2.502
56 HG23 ILE 6 3HG2 ILE 6 2.338 -4.846 -2.910
57 HD11 ILE 6 3HD1 ILE 6 1.459 0.097 -3.360
58 HD12 ILE 6 1HD1 ILE 6 1.968 0.616 -1.753
59 HD13 ILE 6 2HD1 ILE 6 0.595 -0.476 -1.931
60 H ASP 7 H ASP 7 3.647 -4.409 -5.838
61 HA ASP 7 HA ASP 7 1.618 -5.748 -7.257
62 HB2 ASP 7 2HB ASP 7 4.001 -5.958 -7.837
63 HB3 ASP 7 3HB ASP 7 4.363 -6.690 -6.278
64 H VAL 8 H VAL 8 0.247 -7.469 -6.671
65 HA VAL 8 HA VAL 8 0.541 -8.712 -4.030
66 HB VAL 8 HB VAL 8 -1.948 -8.460 -3.597
67 HG11 VAL 8 1HG1 VAL 8 -0.370 -5.858 -3.635
68 HG12 VAL 8 2HG1 VAL 8 -0.319 -7.092 -2.374
69 HG13 VAL 8 3HG1 VAL 8 -1.805 -6.185 -2.654
70 HG21 VAL 8 3HG2 VAL 8 -2.721 -7.865 -5.865
71 HG22 VAL 8 1HG2 VAL 8 -1.848 -6.335 -5.785
72 HG23 VAL 8 2HG2 VAL 8 -3.214 -6.632 -4.704
73 H SER 9 H SER 9 0.425 -10.772 -4.297
74 HA SER 9 HA SER 9 -0.436 -12.029 -6.758
75 HB2 SER 9 2HB SER 9 1.583 -12.805 -5.546
76 HB3 SER 9 3HB SER 9 0.577 -13.326 -4.197
77 HG SER 9 HG SER 9 0.087 -14.269 -6.805
78 H ASP 10 H ASP 10 -1.408 -12.432 -3.321
79 HA ASP 10 HA ASP 10 -3.809 -13.919 -4.081
80 HB2 ASP 10 2HB ASP 10 -2.791 -13.139 -1.305
81 HB3 ASP 10 3HB ASP 10 -4.112 -14.254 -1.640
82 H ASP 11 H ASP 11 -5.856 -13.398 -2.939
83 HA ASP 11 HA ASP 11 -6.658 -10.610 -3.271
84 HB2 ASP 11 2HB ASP 11 -8.944 -11.452 -2.760
85 HB3 ASP 11 3HB ASP 11 -8.182 -12.373 -4.053
86 H GLU 12 H GLU 12 -6.083 -12.961 -0.682
87 HA GLU 12 HA GLU 12 -6.949 -11.475 1.563
88 HB2 GLU 12 2HB GLU 12 -6.539 -13.900 1.665
89 HB3 GLU 12 3HB GLU 12 -4.856 -13.673 1.217
90 HG2 GLU 12 2HG GLU 12 -4.907 -14.177 3.545
91 HG3 GLU 12 3HG GLU 12 -4.501 -12.473 3.394
92 H GLU 13 H GLU 13 -3.809 -11.938 -0.012
93 HA GLU 13 HA GLU 13 -2.114 -10.247 1.318
94 HB2 GLU 13 2HB GLU 13 -1.304 -11.708 -0.411
95 HB3 GLU 13 3HB GLU 13 -2.332 -10.961 -1.623
96 HG2 GLU 13 2HG GLU 13 -0.085 -10.267 -2.053
97 HG3 GLU 13 3HG GLU 13 -0.963 -8.875 -1.423
98 H ALA 14 H ALA 14 -4.220 -9.391 -1.441
99 HA ALA 14 HA ALA 14 -3.425 -6.729 -1.754
100 HB1 ALA 14 3HB ALA 14 -5.463 -6.460 -3.097
101 HB2 ALA 14 1HB ALA 14 -6.121 -7.960 -2.431
102 HB3 ALA 14 2HB ALA 14 -4.681 -8.001 -3.452
103 H GLU 15 H GLU 15 -6.285 -8.014 -0.050
104 HA GLU 15 HA GLU 15 -7.177 -5.452 0.868
105 HB2 GLU 15 2HB GLU 15 -8.056 -8.237 1.708
106 HB3 GLU 15 3HB GLU 15 -8.928 -6.737 2.031
107 HG2 GLU 15 2HG GLU 15 -9.254 -6.372 -0.379
108 HG3 GLU 15 3HG GLU 15 -8.315 -7.818 -0.741
109 H LYS 16 H LYS 16 -4.946 -7.779 2.133
110 HA LYS 16 HA LYS 16 -4.863 -6.900 4.835
111 HB2 LYS 16 2HB LYS 16 -3.252 -8.675 3.106
112 HB3 LYS 16 3HB LYS 16 -2.215 -7.741 4.167
113 HG2 LYS 16 2HG LYS 16 -4.530 -9.467 5.113
114 HG3 LYS 16 3HG LYS 16 -2.843 -9.970 5.085
115 HD2 LYS 16 2HD LYS 16 -3.929 -7.628 6.701
116 HD3 LYS 16 3HD LYS 16 -3.564 -9.227 7.346
117 HE2 LYS 16 2HE LYS 16 -1.193 -8.942 6.790
118 HE3 LYS 16 3HE LYS 16 -1.536 -7.375 6.052
119 HZ1 LYS 16 3HZ LYS 16 -2.190 -6.527 8.184
120 HZ2 LYS 16 1HZ LYS 16 -0.642 -7.186 8.305
121 HZ3 LYS 16 2HZ LYS 16 -1.972 -8.037 8.905
122 H ILE 17 H ILE 17 -3.202 -5.835 1.870
123 HA ILE 17 HA ILE 17 -1.591 -3.816 3.080
124 HB ILE 17 HB ILE 17 -2.574 -3.837 0.184
125 HG12 ILE 17 2HG1 ILE 17 -1.544 -6.010 0.616
126 HG13 ILE 17 3HG1 ILE 17 -0.472 -5.059 -0.399
127 HG21 ILE 17 1HG2 ILE 17 -0.102 -2.552 1.414
128 HG22 ILE 17 2HG2 ILE 17 -1.538 -1.709 0.829
129 HG23 ILE 17 3HG2 ILE 17 -0.500 -2.569 -0.307
130 HD11 ILE 17 3HD1 ILE 17 0.748 -6.314 1.251
131 HD12 ILE 17 1HD1 ILE 17 -0.151 -5.552 2.559
132 HD13 ILE 17 2HD1 ILE 17 0.935 -4.587 1.553
133 H ILE 18 H ILE 18 -4.766 -3.785 1.447
134 HA ILE 18 HA ILE 18 -5.379 -1.056 1.558
135 HB ILE 18 HB ILE 18 -7.273 -3.449 1.687
136 HG12 ILE 18 2HG1 ILE 18 -6.357 -1.782 -0.701
137 HG13 ILE 18 3HG1 ILE 18 -5.801 -3.406 -0.322
138 HG21 ILE 18 1HG2 ILE 18 -7.944 -0.560 1.004
139 HG22 ILE 18 2HG2 ILE 18 -8.452 -1.429 2.454
140 HG23 ILE 18 3HG2 ILE 18 -9.053 -1.929 0.874
141 HD11 ILE 18 3HD1 ILE 18 -8.604 -2.622 -1.096
142 HD12 ILE 18 1HD1 ILE 18 -8.073 -4.253 -0.671
143 HD13 ILE 18 2HD1 ILE 18 -7.414 -3.453 -2.097
144 H ARG 19 H ARG 19 -6.066 -3.635 3.938
145 HA ARG 19 HA ARG 19 -7.471 -2.041 5.804
146 HB2 ARG 19 2HB ARG 19 -7.601 -4.509 5.808
147 HB3 ARG 19 3HB ARG 19 -5.902 -4.617 6.262
148 HG2 ARG 19 2HG ARG 19 -7.415 -5.012 8.185
149 HG3 ARG 19 3HG ARG 19 -6.381 -3.602 8.440
150 HD2 ARG 19 2HD ARG 19 -8.693 -3.187 9.186
151 HD3 ARG 19 3HD ARG 19 -8.246 -2.112 7.862
152 HE ARG 19 HE ARG 19 -9.557 -3.518 6.364
153 HH11 ARG 19 1HH1 ARG 19 -10.201 -3.937 9.799
154 HH12 ARG 19 2HH1 ARG 19 -11.789 -4.594 9.543
155 HH21 ARG 19 1HH2 ARG 19 -11.630 -4.387 6.045
156 HH22 ARG 19 2HH2 ARG 19 -12.586 -4.845 7.420
157 H GLU 20 H GLU 20 -4.084 -3.020 5.572
158 HA GLU 20 HA GLU 20 -2.994 -1.926 7.853
159 HB2 GLU 20 2HB GLU 20 -1.844 -3.441 6.249
160 HB3 GLU 20 3HB GLU 20 -1.780 -2.139 5.069
161 HG2 GLU 20 2HG GLU 20 0.386 -2.435 6.148
162 HG3 GLU 20 3HG GLU 20 -0.299 -0.855 6.540
163 H ILE 21 H ILE 21 -3.350 -0.378 4.656
164 HA ILE 21 HA ILE 21 -2.036 2.046 5.483
165 HB ILE 21 HB ILE 21 -3.496 1.390 2.887
166 HG12 ILE 21 2HG1 ILE 21 -1.588 -0.102 3.211
167 HG13 ILE 21 3HG1 ILE 21 -1.188 1.062 1.959
168 HG21 ILE 21 1HG2 ILE 21 -3.365 3.828 3.191
169 HG22 ILE 21 2HG2 ILE 21 -2.283 3.310 1.900
170 HG23 ILE 21 3HG2 ILE 21 -1.627 3.717 3.486
171 HD11 ILE 21 3HD1 ILE 21 0.159 2.330 3.595
172 HD12 ILE 21 1HD1 ILE 21 0.703 0.667 3.397
173 HD13 ILE 21 2HD1 ILE 21 -0.225 1.117 4.823
174 H ARG 22 H ARG 22 -5.429 1.142 4.743
175 HA ARG 22 HA ARG 22 -6.343 3.880 4.904
176 HB2 ARG 22 2HB ARG 22 -7.903 1.284 4.660
177 HB3 ARG 22 3HB ARG 22 -8.648 2.880 4.686
178 HG2 ARG 22 2HG ARG 22 -7.170 3.449 2.663
179 HG3 ARG 22 3HG ARG 22 -6.826 1.718 2.567
180 HD2 ARG 22 2HD ARG 22 -8.654 2.321 1.051
181 HD3 ARG 22 3HD ARG 22 -9.248 1.256 2.330
182 HE ARG 22 HE ARG 22 -9.725 3.754 3.304
183 HH11 ARG 22 1HH1 ARG 22 -10.667 2.180 0.297
184 HH12 ARG 22 2HH1 ARG 22 -12.122 3.105 0.135
185 HH21 ARG 22 1HH2 ARG 22 -11.628 4.938 3.092
186 HH22 ARG 22 2HH2 ARG 22 -12.664 4.671 1.727
187 H GLU 23 H GLU 23 -6.083 1.282 7.253
188 HA GLU 23 HA GLU 23 -7.932 2.284 9.194
189 HB2 GLU 23 2HB GLU 23 -7.098 -0.044 9.231
190 HB3 GLU 23 3HB GLU 23 -5.460 0.526 9.542
191 HG2 GLU 23 2HG GLU 23 -6.218 1.440 11.738
192 HG3 GLU 23 3HG GLU 23 -7.839 0.826 11.416
193 H GLN 24 H GLN 24 -4.607 2.930 8.450
194 HA GLN 24 HA GLN 24 -4.126 4.553 10.869
195 HB2 GLN 24 2HB GLN 24 -2.201 3.893 8.597
196 HB3 GLN 24 3HB GLN 24 -1.782 4.623 10.144
197 HG2 GLN 24 2HG GLN 24 -2.471 2.543 11.301
198 HG3 GLN 24 3HG GLN 24 -2.851 1.818 9.737
199 HE21 GLN 24 1HE2 GLN 24 -1.101 1.352 8.300
200 HE22 GLN 24 2HE2 GLN 24 0.498 1.134 8.904
201 H TRP 25 H TRP 25 -4.088 4.870 7.360
202 HA TRP 25 HA TRP 25 -4.282 7.822 7.515
203 HB2 TRP 25 2HB TRP 25 -3.273 6.064 5.226
204 HB3 TRP 25 3HB TRP 25 -3.327 7.828 5.223
205 HD1 TRP 25 HD1 TRP 25 -1.613 9.084 6.969
206 HE1 TRP 25 HE1 TRP 25 0.660 8.352 7.899
207 HE3 TRP 25 HE3 TRP 25 -1.836 4.092 5.891
208 HZ2 TRP 25 HZ2 TRP 25 2.153 6.015 8.152
209 HZ3 TRP 25 HZ3 TRP 25 0.067 2.663 6.517
210 HH2 TRP 25 HH2 TRP 25 2.032 3.608 7.629
211 HA PRO 26 HA PRO 26 -8.523 6.717 5.956
212 HB2 PRO 26 2HB PRO 26 -9.673 9.080 6.854
213 HB3 PRO 26 3HB PRO 26 -9.494 7.632 7.862
214 HG2 PRO 26 2HG PRO 26 -7.742 10.068 7.759
215 HG3 PRO 26 3HG PRO 26 -8.352 9.183 9.178
216 HD2 PRO 26 2HD PRO 26 -5.834 8.814 8.278
217 HD3 PRO 26 3HD PRO 26 -6.776 7.466 8.952
218 H LYS 27 H LYS 27 -6.541 9.658 5.613
219 HA LYS 27 HA LYS 27 -7.885 10.703 3.310
220 HB2 LYS 27 2HB LYS 27 -5.156 11.325 4.514
221 HB3 LYS 27 3HB LYS 27 -5.945 12.291 3.276
222 HG2 LYS 27 2HG LYS 27 -7.018 11.858 6.081
223 HG3 LYS 27 3HG LYS 27 -6.102 13.269 5.549
224 HD2 LYS 27 2HD LYS 27 -7.900 13.755 3.870
225 HD3 LYS 27 3HD LYS 27 -8.830 12.399 4.518
226 HE2 LYS 27 2HE LYS 27 -8.978 13.502 6.696
227 HE3 LYS 27 3HE LYS 27 -7.953 14.823 6.126
228 HZ1 LYS 27 3HZ LYS 27 -10.651 14.135 5.094
229 HZ2 LYS 27 1HZ LYS 27 -9.670 15.377 4.501
230 HZ3 LYS 27 2HZ LYS 27 -10.261 15.450 6.082
231 H ALA 28 H ALA 28 -6.849 7.864 2.863
232 HA ALA 28 HA ALA 28 -4.629 8.332 0.969
233 HB1 ALA 28 3HB ALA 28 -3.824 6.037 1.470
234 HB2 ALA 28 1HB ALA 28 -5.055 5.874 2.728
235 HB3 ALA 28 2HB ALA 28 -3.764 7.062 2.903
236 H THR 29 H THR 29 -5.691 8.240 -1.026
237 HA THR 29 HA THR 29 -8.102 6.722 -1.418
238 HB THR 29 HB THR 29 -6.292 8.042 -3.499
239 HG1 THR 29 HG1 THR 29 -7.161 9.508 -1.920
240 HG21 THR 29 3HG2 THR 29 -9.201 7.186 -3.723
241 HG22 THR 29 1HG2 THR 29 -7.837 6.412 -4.533
242 HG23 THR 29 2HG2 THR 29 -8.293 8.065 -4.953
243 H VAL 30 H VAL 30 -7.846 4.541 -1.273
244 HA VAL 30 HA VAL 30 -5.670 3.208 -2.771
245 HB VAL 30 HB VAL 30 -7.222 2.167 -0.349
246 HG11 VAL 30 1HG1 VAL 30 -5.667 0.240 -0.406
247 HG12 VAL 30 2HG1 VAL 30 -4.942 0.857 -1.892
248 HG13 VAL 30 3HG1 VAL 30 -6.626 0.329 -1.885
249 HG21 VAL 30 3HG2 VAL 30 -4.308 3.049 -0.570
250 HG22 VAL 30 1HG2 VAL 30 -5.066 2.352 0.865
251 HG23 VAL 30 2HG2 VAL 30 -5.593 3.925 0.264
252 H THR 31 H THR 31 -6.347 2.397 -4.619
253 HA THR 31 HA THR 31 -9.185 1.727 -5.063
254 HB THR 31 HB THR 31 -6.903 1.915 -7.095
255 HG1 THR 31 HG1 THR 31 -7.128 3.978 -6.846
256 HG21 THR 31 3HG2 THR 31 -9.921 1.883 -7.512
257 HG22 THR 31 1HG2 THR 31 -8.804 0.579 -7.929
258 HG23 THR 31 2HG2 THR 31 -8.710 2.124 -8.774
259 H ARG 32 H ARG 32 -9.847 -0.373 -5.572
260 HA ARG 32 HA ARG 32 -8.050 -2.571 -4.921
261 HB2 ARG 32 2HB ARG 32 -10.340 -2.399 -3.913
262 HB3 ARG 32 3HB ARG 32 -11.046 -2.481 -5.518
263 HG2 ARG 32 2HG ARG 32 -11.240 -4.609 -4.284
264 HG3 ARG 32 3HG ARG 32 -10.312 -4.797 -5.769
265 HD2 ARG 32 2HD ARG 32 -8.275 -5.070 -4.599
266 HD3 ARG 32 3HD ARG 32 -8.912 -4.332 -3.134
267 HE ARG 32 HE ARG 32 -10.157 -6.327 -2.686
268 HH11 ARG 32 1HH1 ARG 32 -7.808 -6.731 -5.280
269 HH12 ARG 32 2HH1 ARG 32 -7.750 -8.456 -5.116
270 HH21 ARG 32 1HH2 ARG 32 -10.034 -8.581 -2.456
271 HH22 ARG 32 2HH2 ARG 32 -9.012 -9.498 -3.515
272 H THR 33 H THR 33 -6.962 -3.504 -6.586
273 HA THR 33 HA THR 33 -8.084 -3.631 -9.280
274 HB THR 33 HB THR 33 -5.741 -2.927 -10.208
275 HG1 THR 33 HG1 THR 33 -5.296 -2.554 -7.610
276 HG21 THR 33 3HG2 THR 33 -7.505 -0.760 -9.012
277 HG22 THR 33 1HG2 THR 33 -7.732 -1.521 -10.592
278 HG23 THR 33 2HG2 THR 33 -6.307 -0.523 -10.285
279 H ASN 34 H ASN 34 -7.586 -5.550 -10.203
280 HA ASN 34 HA ASN 34 -6.315 -7.563 -8.588
281 HB2 ASN 34 2HB ASN 34 -6.872 -9.139 -10.360
282 HB3 ASN 34 3HB ASN 34 -8.256 -8.113 -10.015
283 HD21 ASN 34 1HD2 ASN 34 -5.989 -9.134 -12.405
284 HD22 ASN 34 2HD2 ASN 34 -6.639 -8.234 -13.733
285 H GLY 35 H GLY 35 -4.167 -7.424 -8.305
286 HA2 GLY 35 2HA GLY 35 -2.114 -8.325 -9.473
287 HA3 GLY 35 3HA GLY 35 -2.361 -7.032 -10.643
288 H ASP 36 H ASP 36 -3.229 -5.043 -8.669
289 HA ASP 36 HA ASP 36 -0.792 -4.615 -7.049
290 HB2 ASP 36 2HB ASP 36 -1.798 -2.625 -9.133
291 HB3 ASP 36 3HB ASP 36 -0.608 -2.231 -7.899
292 H ILE 37 H ILE 37 -1.002 -3.090 -5.449
293 HA ILE 37 HA ILE 37 -3.642 -1.964 -4.803
294 HB ILE 37 HB ILE 37 -1.048 -2.097 -3.184
295 HG12 ILE 37 2HG1 ILE 37 -2.219 -4.241 -3.314
296 HG13 ILE 37 3HG1 ILE 37 -2.406 -3.592 -1.693
297 HG21 ILE 37 1HG2 ILE 37 -2.176 0.017 -2.623
298 HG22 ILE 37 2HG2 ILE 37 -2.308 -1.116 -1.283
299 HG23 ILE 37 3HG2 ILE 37 -3.697 -0.838 -2.334
300 HD11 ILE 37 3HD1 ILE 37 -4.456 -4.591 -2.444
301 HD12 ILE 37 1HD1 ILE 37 -4.482 -3.574 -3.883
302 HD13 ILE 37 2HD1 ILE 37 -4.689 -2.853 -2.283
303 H LYS 38 H LYS 38 -4.085 -0.062 -5.643
304 HA LYS 38 HA LYS 38 -2.012 1.852 -6.400
305 HB2 LYS 38 2HB LYS 38 -5.054 2.123 -6.551
306 HB3 LYS 38 3HB LYS 38 -3.873 3.179 -7.318
307 HG2 LYS 38 2HG LYS 38 -4.386 0.270 -7.999
308 HG3 LYS 38 3HG LYS 38 -4.869 1.673 -8.954
309 HD2 LYS 38 2HD LYS 38 -2.453 2.248 -9.267
310 HD3 LYS 38 3HD LYS 38 -2.012 0.786 -8.383
311 HE2 LYS 38 2HE LYS 38 -3.559 0.872 -10.999
312 HE3 LYS 38 3HE LYS 38 -1.856 0.445 -10.816
313 HZ1 LYS 38 3HZ LYS 38 -2.563 -1.435 -9.432
314 HZ2 LYS 38 1HZ LYS 38 -3.190 -1.521 -10.997
315 HZ3 LYS 38 2HZ LYS 38 -4.175 -1.042 -9.715
316 H LEU 39 H LEU 39 -1.187 2.934 -4.742
317 HA LEU 39 HA LEU 39 -2.853 3.661 -2.394
318 HB2 LEU 39 2HB LEU 39 -0.930 2.010 -2.128
319 HB3 LEU 39 3HB LEU 39 0.174 3.298 -2.541
320 HG LEU 39 HG LEU 39 -1.611 3.328 -0.057
321 HD11 LEU 39 1HD1 LEU 39 0.425 2.706 1.206
322 HD12 LEU 39 2HD1 LEU 39 1.308 2.504 -0.311
323 HD13 LEU 39 3HD1 LEU 39 -0.054 1.447 0.068
324 HD21 LEU 39 3HD2 LEU 39 -0.886 5.579 -0.708
325 HD22 LEU 39 1HD2 LEU 39 0.795 5.048 -0.762
326 HD23 LEU 39 2HD2 LEU 39 -0.081 5.074 0.773
327 H ASP 40 H ASP 40 -3.165 5.760 -2.063
328 HA ASP 40 HA ASP 40 -1.683 7.808 -3.583
329 HB2 ASP 40 2HB ASP 40 -3.972 8.202 -3.944
330 HB3 ASP 40 3HB ASP 40 -4.424 7.659 -2.340
331 H ALA 41 H ALA 41 0.124 8.255 -2.472
332 HA ALA 41 HA ALA 41 0.061 8.647 0.436
333 HB1 ALA 41 3HB ALA 41 2.529 8.800 0.226
334 HB2 ALA 41 1HB ALA 41 2.379 8.566 -1.518
335 HB3 ALA 41 2HB ALA 41 1.893 7.282 -0.411
336 H GLN 42 H GLN 42 0.234 10.625 1.309
337 HA GLN 42 HA GLN 42 -0.801 12.783 -0.219
338 HB2 GLN 42 2HB GLN 42 0.352 12.970 2.594
339 HB3 GLN 42 3HB GLN 42 -0.889 13.990 1.876
340 HG2 GLN 42 2HG GLN 42 -1.172 11.079 2.681
341 HG3 GLN 42 3HG GLN 42 -1.870 12.470 3.505
342 HE21 GLN 42 1HE2 GLN 42 -2.142 10.296 0.791
343 HE22 GLN 42 2HE2 GLN 42 -3.715 10.801 0.291
344 H THR 43 H THR 43 2.263 12.307 1.485
345 HA THR 43 HA THR 43 3.670 14.224 -0.259
346 HB THR 43 HB THR 43 4.862 15.132 1.752
347 HG1 THR 43 HG1 THR 43 3.939 14.639 3.835
348 HG21 THR 43 3HG2 THR 43 2.907 16.406 0.915
349 HG22 THR 43 1HG2 THR 43 3.054 16.540 2.668
350 HG23 THR 43 2HG2 THR 43 1.842 15.466 1.965
351 H GLU 44 H GLU 44 6.157 14.036 0.433
352 HA GLU 44 HA GLU 44 7.082 11.439 -0.140
353 HB2 GLU 44 2HB GLU 44 8.394 13.424 -0.710
354 HB3 GLU 44 3HB GLU 44 8.525 13.877 0.985
355 HG2 GLU 44 2HG GLU 44 10.629 12.919 0.091
356 HG3 GLU 44 3HG GLU 44 9.980 11.977 1.434
357 H LYS 45 H LYS 45 7.133 13.309 2.897
358 HA LYS 45 HA LYS 45 8.323 11.259 4.476
359 HB2 LYS 45 2HB LYS 45 6.919 13.849 5.211
360 HB3 LYS 45 3HB LYS 45 7.614 12.779 6.423
361 HG2 LYS 45 2HG LYS 45 9.167 14.073 4.155
362 HG3 LYS 45 3HG LYS 45 9.130 14.653 5.824
363 HD2 LYS 45 2HD LYS 45 10.205 12.638 6.630
364 HD3 LYS 45 3HD LYS 45 10.056 11.864 5.053
365 HE2 LYS 45 2HE LYS 45 11.608 13.613 4.130
366 HE3 LYS 45 3HE LYS 45 11.857 14.189 5.784
367 HZ1 LYS 45 3HZ LYS 45 13.559 12.599 5.056
368 HZ2 LYS 45 1HZ LYS 45 12.376 11.413 4.856
369 HZ3 LYS 45 2HZ LYS 45 12.704 12.031 6.398
370 H GLU 46 H GLU 46 5.125 11.651 3.362
371 HA GLU 46 HA GLU 46 3.853 10.145 5.513
372 HB2 GLU 46 2HB GLU 46 2.684 11.993 4.127
373 HB3 GLU 46 3HB GLU 46 2.679 10.857 2.784
374 HG2 GLU 46 2HG GLU 46 0.530 10.696 3.781
375 HG3 GLU 46 3HG GLU 46 1.401 9.248 4.302
376 H ALA 47 H ALA 47 4.855 9.818 2.133
377 HA ALA 47 HA ALA 47 3.983 7.243 1.531
378 HB1 ALA 47 3HB ALA 47 5.597 7.303 -0.306
379 HB2 ALA 47 1HB ALA 47 6.433 8.674 0.443
380 HB3 ALA 47 2HB ALA 47 4.780 8.855 -0.145
381 H GLU 48 H GLU 48 6.947 8.331 3.114
382 HA GLU 48 HA GLU 48 8.473 5.994 3.049
383 HB2 GLU 48 2HB GLU 48 8.376 8.184 5.168
384 HB3 GLU 48 3HB GLU 48 9.634 6.952 5.082
385 HG2 GLU 48 2HG GLU 48 10.326 7.781 2.870
386 HG3 GLU 48 3HG GLU 48 9.042 8.988 2.904
387 H LYS 49 H LYS 49 5.967 6.999 5.367
388 HA LYS 49 HA LYS 49 6.331 4.783 7.190
389 HB2 LYS 49 2HB LYS 49 3.949 6.669 6.919
390 HB3 LYS 49 3HB LYS 49 4.323 5.655 8.310
391 HG2 LYS 49 2HG LYS 49 6.326 6.999 8.782
392 HG3 LYS 49 3HG LYS 49 6.018 7.985 7.346
393 HD2 LYS 49 2HD LYS 49 3.844 8.714 8.326
394 HD3 LYS 49 3HD LYS 49 4.187 7.761 9.774
395 HE2 LYS 49 2HE LYS 49 5.835 10.115 8.785
396 HE3 LYS 49 3HE LYS 49 4.665 10.163 10.101
397 HZ1 LYS 49 3HZ LYS 49 7.174 8.582 10.050
398 HZ2 LYS 49 1HZ LYS 49 6.029 8.541 11.294
399 HZ3 LYS 49 2HZ LYS 49 6.878 9.966 10.973
400 H MET 50 H MET 50 3.925 5.739 4.860
401 HA MET 50 HA MET 50 2.112 3.656 4.809
402 HB2 MET 50 2HB MET 50 3.073 5.386 2.509
403 HB3 MET 50 3HB MET 50 1.759 4.231 2.320
404 HG2 MET 50 2HG MET 50 0.457 5.402 4.038
405 HG3 MET 50 3HG MET 50 1.780 6.552 4.265
406 HE1 MET 50 3HE MET 50 -1.267 8.369 2.262
407 HE2 MET 50 1HE MET 50 -0.510 8.250 3.850
408 HE3 MET 50 2HE MET 50 -1.516 6.930 3.250
409 H GLU 51 H GLU 51 4.878 3.785 2.486
410 HA GLU 51 HA GLU 51 4.653 1.150 1.551
411 HB2 GLU 51 2HB GLU 51 6.867 1.417 0.599
412 HB3 GLU 51 3HB GLU 51 5.993 2.934 0.432
413 HG2 GLU 51 2HG GLU 51 7.221 3.901 2.282
414 HG3 GLU 51 3HG GLU 51 8.023 2.375 2.617
415 H LYS 52 H LYS 52 6.299 2.394 4.409
416 HA LYS 52 HA LYS 52 7.930 0.152 5.054
417 HB2 LYS 52 2HB LYS 52 8.302 2.393 6.016
418 HB3 LYS 52 3HB LYS 52 6.745 2.327 6.829
419 HG2 LYS 52 2HG LYS 52 8.499 1.940 8.438
420 HG3 LYS 52 3HG LYS 52 7.581 0.445 8.229
421 HD2 LYS 52 2HD LYS 52 9.354 -0.450 6.765
422 HD3 LYS 52 3HD LYS 52 10.260 1.060 6.915
423 HE2 LYS 52 2HE LYS 52 10.465 0.654 9.364
424 HE3 LYS 52 3HE LYS 52 9.621 -0.884 9.159
425 HZ1 LYS 52 3HZ LYS 52 11.378 -1.688 7.802
426 HZ2 LYS 52 1HZ LYS 52 12.060 -1.080 9.219
427 HZ3 LYS 52 2HZ LYS 52 12.148 -0.187 7.787
428 H ALA 53 H ALA 53 4.654 1.101 5.968
429 HA ALA 53 HA ALA 53 4.012 -0.973 7.754
430 HB1 ALA 53 3HB ALA 53 1.684 -0.286 7.373
431 HB2 ALA 53 1HB ALA 53 2.170 0.629 5.940
432 HB3 ALA 53 2HB ALA 53 2.728 1.123 7.539
433 H VAL 54 H VAL 54 3.769 -0.725 4.226
434 HA VAL 54 HA VAL 54 2.528 -3.227 3.697
435 HB VAL 54 HB VAL 54 4.399 -1.597 1.912
436 HG11 VAL 54 1HG1 VAL 54 2.401 -3.748 1.129
437 HG12 VAL 54 2HG1 VAL 54 4.158 -3.912 1.109
438 HG13 VAL 54 3HG1 VAL 54 3.366 -2.775 0.019
439 HG21 VAL 54 3HG2 VAL 54 2.350 -0.641 0.908
440 HG22 VAL 54 1HG2 VAL 54 2.470 -0.252 2.627
441 HG23 VAL 54 2HG2 VAL 54 1.362 -1.514 2.084
442 H LYS 55 H LYS 55 5.957 -2.230 3.848
443 HA LYS 55 HA LYS 55 7.112 -4.755 3.259
444 HB2 LYS 55 2HB LYS 55 8.296 -2.380 4.746
445 HB3 LYS 55 3HB LYS 55 9.225 -3.775 4.197
446 HG2 LYS 55 2HG LYS 55 8.658 -3.251 1.857
447 HG3 LYS 55 3HG LYS 55 7.702 -1.867 2.395
448 HD2 LYS 55 2HD LYS 55 9.784 -0.869 3.385
449 HD3 LYS 55 3HD LYS 55 10.708 -2.221 2.723
450 HE2 LYS 55 2HE LYS 55 10.030 -1.551 0.437
451 HE3 LYS 55 3HE LYS 55 9.122 -0.193 1.111
452 HZ1 LYS 55 3HZ LYS 55 11.234 0.642 2.036
453 HZ2 LYS 55 1HZ LYS 55 11.237 0.561 0.347
454 HZ3 LYS 55 2HZ LYS 55 12.057 -0.606 1.246
455 H LYS 56 H LYS 56 5.629 -3.580 6.118
456 HA LYS 56 HA LYS 56 6.753 -5.664 7.825
457 HB2 LYS 56 2HB LYS 56 4.840 -3.371 8.290
458 HB3 LYS 56 3HB LYS 56 4.989 -4.642 9.489
459 HG2 LYS 56 2HG LYS 56 7.452 -3.157 8.543
460 HG3 LYS 56 3HG LYS 56 6.383 -2.445 9.748
461 HD2 LYS 56 2HD LYS 56 8.155 -3.539 10.945
462 HD3 LYS 56 3HD LYS 56 6.708 -4.516 11.170
463 HE2 LYS 56 2HE LYS 56 7.544 -6.066 9.396
464 HE3 LYS 56 3HE LYS 56 9.015 -5.102 9.286
465 HZ1 LYS 56 3HZ LYS 56 9.450 -5.618 11.609
466 HZ2 LYS 56 1HZ LYS 56 9.351 -7.011 10.670
467 HZ3 LYS 56 2HZ LYS 56 8.064 -6.579 11.673
468 H VAL 57 H VAL 57 4.067 -5.289 5.709
469 HA VAL 57 HA VAL 57 2.649 -7.637 6.688
470 HB VAL 57 HB VAL 57 2.397 -6.170 3.999
471 HG11 VAL 57 1HG1 VAL 57 0.202 -7.300 3.780
472 HG12 VAL 57 2HG1 VAL 57 0.522 -8.217 5.254
473 HG13 VAL 57 3HG1 VAL 57 1.530 -8.462 3.826
474 HG21 VAL 57 3HG2 VAL 57 0.700 -5.873 6.511
475 HG22 VAL 57 1HG2 VAL 57 0.370 -5.107 4.952
476 HG23 VAL 57 2HG2 VAL 57 1.819 -4.676 5.858
477 H LYS 58 H LYS 58 5.336 -6.917 4.639
478 HA LYS 58 HA LYS 58 5.923 -9.599 4.013
479 HB2 LYS 58 2HB LYS 58 5.874 -9.257 1.430
480 HB3 LYS 58 3HB LYS 58 4.386 -9.683 2.264
481 HG2 LYS 58 2HG LYS 58 3.610 -7.380 2.146
482 HG3 LYS 58 3HG LYS 58 5.135 -6.871 1.411
483 HD2 LYS 58 2HD LYS 58 4.695 -8.205 -0.575
484 HD3 LYS 58 3HD LYS 58 3.271 -8.933 0.174
485 HE2 LYS 58 2HE LYS 58 2.255 -6.630 0.257
486 HE3 LYS 58 3HE LYS 58 3.621 -6.059 -0.704
487 HZ1 LYS 58 3HZ LYS 58 3.020 -7.578 -2.443
488 HZ2 LYS 58 1HZ LYS 58 1.683 -6.622 -2.054
489 HZ3 LYS 58 2HZ LYS 58 1.766 -8.218 -1.510
490 HA PRO 59 HA PRO 59 9.761 -7.135 4.260
491 HB2 PRO 59 2HB PRO 59 11.535 -9.281 4.100
492 HB3 PRO 59 3HB PRO 59 10.702 -8.792 5.587
493 HG2 PRO 59 2HG PRO 59 9.963 -10.970 3.659
494 HG3 PRO 59 3HG PRO 59 9.975 -11.000 5.438
495 HD2 PRO 59 2HD PRO 59 7.676 -10.683 4.069
496 HD3 PRO 59 3HD PRO 59 7.940 -9.828 5.606
497 H ASN 60 H ASN 60 8.885 -9.324 1.683
498 HA ASN 60 HA ASN 60 10.868 -8.151 -0.185
499 HB2 ASN 60 2HB ASN 60 9.046 -10.578 -0.541
500 HB3 ASN 60 3HB ASN 60 10.272 -10.035 -1.682
501 HD21 ASN 60 1HD2 ASN 60 12.441 -10.473 -1.250
502 HD22 ASN 60 2HD2 ASN 60 12.941 -11.553 0.004
503 H ALA 61 H ALA 61 8.225 -6.931 0.843
504 HA ALA 61 HA ALA 61 6.251 -6.666 -0.998
505 HB1 ALA 61 3HB ALA 61 6.259 -5.470 1.160
506 HB2 ALA 61 1HB ALA 61 5.868 -4.374 -0.167
507 HB3 ALA 61 2HB ALA 61 7.482 -4.354 0.552
508 H THR 62 H THR 62 6.391 -6.435 -3.160
509 HA THR 62 HA THR 62 8.463 -4.866 -4.448
510 HB THR 62 HB THR 62 6.020 -6.190 -5.716
511 HG1 THR 62 HG1 THR 62 8.615 -7.269 -5.204
512 HG21 THR 62 3HG2 THR 62 7.414 -6.260 -7.746
513 HG22 THR 62 1HG2 THR 62 8.723 -5.439 -6.895
514 HG23 THR 62 2HG2 THR 62 7.200 -4.596 -7.198
515 H ILE 63 H ILE 63 8.165 -2.730 -3.951
516 HA ILE 63 HA ILE 63 5.555 -1.441 -4.461
517 HB ILE 63 HB ILE 63 7.924 -0.522 -2.744
518 HG12 ILE 63 2HG1 ILE 63 5.189 -1.493 -1.811
519 HG13 ILE 63 3HG1 ILE 63 6.613 -2.522 -1.854
520 HG21 ILE 63 1HG2 ILE 63 5.174 0.753 -3.051
521 HG22 ILE 63 2HG2 ILE 63 6.693 1.409 -3.665
522 HG23 ILE 63 3HG2 ILE 63 6.431 1.277 -1.926
523 HD11 ILE 63 3HD1 ILE 63 7.689 -0.976 -0.246
524 HD12 ILE 63 1HD1 ILE 63 6.240 -1.772 0.363
525 HD13 ILE 63 2HD1 ILE 63 6.167 -0.089 -0.148
526 H ARG 64 H ARG 64 5.445 -0.125 -6.155
527 HA ARG 64 HA ARG 64 7.878 0.736 -7.608
528 HB2 ARG 64 2HB ARG 64 4.952 0.666 -8.523
529 HB3 ARG 64 3HB ARG 64 6.323 1.170 -9.509
530 HG2 ARG 64 2HG ARG 64 7.266 -1.111 -9.362
531 HG3 ARG 64 3HG ARG 64 5.879 -1.618 -8.397
532 HD2 ARG 64 2HD ARG 64 5.562 -2.324 -10.696
533 HD3 ARG 64 3HD ARG 64 4.381 -1.068 -10.306
534 HE ARG 64 HE ARG 64 6.593 0.195 -11.441
535 HH11 ARG 64 1HH1 ARG 64 4.115 -2.071 -12.485
536 HH12 ARG 64 2HH1 ARG 64 4.175 -1.555 -14.141
537 HH21 ARG 64 1HH2 ARG 64 6.648 0.870 -13.621
538 HH22 ARG 64 2HH2 ARG 64 5.602 0.097 -14.773
539 H LYS 65 H LYS 65 8.503 2.610 -6.673
540 HA LYS 65 HA LYS 65 6.498 4.539 -5.719
541 HB2 LYS 65 2HB LYS 65 8.250 3.722 -4.117
542 HB3 LYS 65 3HB LYS 65 9.488 4.475 -5.121
543 HG2 LYS 65 2HG LYS 65 8.600 6.694 -4.670
544 HG3 LYS 65 3HG LYS 65 7.193 6.012 -3.847
545 HD2 LYS 65 2HD LYS 65 8.793 5.024 -2.131
546 HD3 LYS 65 3HD LYS 65 10.084 5.951 -2.898
547 HE2 LYS 65 2HE LYS 65 8.868 8.049 -2.388
548 HE3 LYS 65 3HE LYS 65 7.586 7.109 -1.617
549 HZ1 LYS 65 3HZ LYS 65 10.421 7.179 -0.745
550 HZ2 LYS 65 1HZ LYS 65 9.170 6.337 0.014
551 HZ3 LYS 65 2HZ LYS 65 9.147 8.016 -0.011
552 H THR 66 H THR 66 6.023 6.167 -6.999
553 HA THR 66 HA THR 66 8.098 7.501 -8.642
554 HB THR 66 HB THR 66 5.239 6.848 -9.544
555 HG1 THR 66 HG1 THR 66 7.692 5.585 -9.879
556 HG21 THR 66 3HG2 THR 66 7.490 8.258 -11.036
557 HG22 THR 66 1HG2 THR 66 5.983 9.003 -10.490
558 HG23 THR 66 2HG2 THR 66 5.954 7.763 -11.743
559 H GLY 67 H GLY 67 8.194 9.598 -8.082
560 HA2 GLY 67 2HA GLY 67 6.672 11.667 -7.848
561 HA3 GLY 67 3HA GLY 67 6.009 10.801 -6.461
562 H GLY 68 H GLY 68 9.288 11.319 -7.756
563 HA2 GLY 68 2HA GLY 68 10.312 12.105 -5.099
564 HA3 GLY 68 3HA GLY 68 11.266 11.681 -6.515
565 H SER 69 H SER 69 9.341 13.479 -8.100
566 HA SER 69 HA SER 69 10.883 15.947 -7.837
567 HB2 SER 69 2HB SER 69 8.780 15.104 -9.900
568 HB3 SER 69 3HB SER 69 9.814 16.531 -10.002
569 HG SER 69 HG SER 69 10.611 14.754 -11.205
570 H LEU 70 H LEU 70 9.258 15.586 -5.610
571 HA LEU 70 HA LEU 70 6.966 17.398 -5.856
572 HB2 LEU 70 2HB LEU 70 8.065 15.616 -3.674
573 HB3 LEU 70 3HB LEU 70 7.120 17.006 -3.179
574 HG LEU 70 HG LEU 70 5.179 16.172 -4.452
575 HD11 LEU 70 1HD1 LEU 70 6.851 13.745 -5.102
576 HD12 LEU 70 2HD1 LEU 70 6.269 14.953 -6.249
577 HD13 LEU 70 3HD1 LEU 70 5.121 13.917 -5.403
578 HD21 LEU 70 3HD2 LEU 70 4.608 14.314 -2.965
579 HD22 LEU 70 1HD2 LEU 70 5.422 15.604 -2.081
580 HD23 LEU 70 2HD2 LEU 70 6.303 14.132 -2.508
581 H GLU 71 H GLU 71 9.544 18.444 -6.543
582 HA GLU 71 HA GLU 71 10.638 20.385 -6.470
583 HB2 GLU 71 2HB GLU 71 8.834 21.204 -4.158
584 HB3 GLU 71 3HB GLU 71 9.818 22.280 -5.136
585 HG2 GLU 71 2HG GLU 71 7.457 20.663 -6.129
586 HG3 GLU 71 3HG GLU 71 7.431 22.382 -5.749
587 H HIS 72 H HIS 72 10.635 18.268 -3.806
588 HA HIS 72 HA HIS 72 11.765 17.918 -1.903
589 HB2 HIS 72 2HB HIS 72 14.008 19.390 -3.370
590 HB3 HIS 72 3HB HIS 72 14.227 18.491 -1.878
591 HD1 HIS 72 HD1 HIS 72 15.339 16.345 -2.354
592 HD2 HIS 72 HD2 HIS 72 12.716 17.402 -5.389
593 HE1 HIS 72 HE1 HIS 72 15.500 14.506 -4.057
594 HE2 HIS 72 HE2 HIS 72 14.067 15.294 -5.967
595 H HIS 73 H HIS 73 13.399 20.946 -2.483
596 HA HIS 73 HA HIS 73 11.599 22.565 -0.868
597 HB2 HIS 73 2HB HIS 73 14.586 22.243 -0.224
598 HB3 HIS 73 3HB HIS 73 13.598 23.568 0.383
599 HD1 HIS 73 HD1 HIS 73 11.688 22.895 2.088
600 HD2 HIS 73 HD2 HIS 73 14.416 19.888 1.240
601 HE1 HIS 73 HE1 HIS 73 11.349 21.167 3.868
602 HE2 HIS 73 HE2 HIS 73 12.836 19.270 3.182
603 H HIS 74 H HIS 74 11.329 24.403 -2.051
604 HA HIS 74 HA HIS 74 12.551 24.826 -4.536
605 HB2 HIS 74 2HB HIS 74 11.027 26.786 -2.790
606 HB3 HIS 74 3HB HIS 74 11.488 27.115 -4.458
607 HD1 HIS 74 HD1 HIS 74 8.786 25.721 -2.485
608 HD2 HIS 74 HD2 HIS 74 10.252 25.212 -6.334
609 HE1 HIS 74 HE1 HIS 74 6.923 24.652 -3.775
610 HE2 HIS 74 HE2 HIS 74 7.838 24.341 -6.098
611 H HIS 75 H HIS 75 14.203 26.155 -5.230
612 HA HIS 75 HA HIS 75 16.409 26.518 -3.504
613 HB2 HIS 75 2HB HIS 75 15.987 27.771 -6.251
614 HB3 HIS 75 3HB HIS 75 17.537 27.566 -5.433
615 HD1 HIS 75 HD1 HIS 75 15.198 25.859 -7.685
616 HD2 HIS 75 HD2 HIS 75 18.333 24.758 -5.202
617 HE1 HIS 75 HE1 HIS 75 15.846 23.546 -8.408
618 HE2 HIS 75 HE2 HIS 75 17.847 22.984 -7.002
619 H HIS 76 H HIS 76 16.144 27.845 -1.836
620 HA HIS 76 HA HIS 76 14.457 29.977 -1.508
621 HB2 HIS 76 2HB HIS 76 15.775 30.542 0.525
622 HB3 HIS 76 3HB HIS 76 15.454 28.819 0.389
623 HD1 HIS 76 HD1 HIS 76 18.069 30.991 1.323
624 HD2 HIS 76 HD2 HIS 76 17.938 27.507 -0.934
625 HE1 HIS 76 HE1 HIS 76 20.415 30.113 1.289
626 HE2 HIS 76 HE2 HIS 76 20.323 28.044 -0.112
627 H HIS 77 H HIS 77 14.409 31.619 -2.917
628 HA HIS 77 HA HIS 77 16.757 32.986 -3.900
629 HB2 HIS 77 2HB HIS 77 14.820 32.680 -5.394
630 HB3 HIS 77 3HB HIS 77 13.786 33.566 -4.281
631 HD1 HIS 77 HD1 HIS 77 14.005 36.145 -4.258
632 HD2 HIS 77 HD2 HIS 77 16.542 34.289 -6.972
633 HE1 HIS 77 HE1 HIS 77 14.916 37.986 -5.698
634 HE2 HIS 77 HE2 HIS 77 16.632 36.857 -7.143
Start of MODEL 19
1 H1 MET 1 1H MET 1 4.967 13.752 -4.050
2 H2 MET 1 2H MET 1 3.975 15.113 -4.130
3 H3 MET 1 3H MET 1 4.560 14.405 -5.551
4 HA MET 1 HA MET 1 2.763 13.114 -3.613
5 HB2 MET 1 2HB MET 1 1.021 13.379 -5.436
6 HB3 MET 1 3HB MET 1 1.517 14.877 -4.658
7 HG2 MET 1 2HG MET 1 2.495 13.915 -7.365
8 HG3 MET 1 3HG MET 1 1.245 15.136 -7.100
9 HE1 MET 1 3HE MET 1 4.397 17.141 -8.476
10 HE2 MET 1 1HE MET 1 2.731 16.665 -8.805
11 HE3 MET 1 2HE MET 1 4.025 15.464 -8.882
12 H VAL 2 H VAL 2 3.199 11.000 -3.644
13 HA VAL 2 HA VAL 2 4.445 9.780 -6.046
14 HB VAL 2 HB VAL 2 4.791 8.897 -3.141
15 HG11 VAL 2 1HG1 VAL 2 6.646 7.505 -4.009
16 HG12 VAL 2 2HG1 VAL 2 6.288 8.040 -5.653
17 HG13 VAL 2 3HG1 VAL 2 5.115 7.058 -4.770
18 HG21 VAL 2 3HG2 VAL 2 6.717 10.489 -4.875
19 HG22 VAL 2 1HG2 VAL 2 7.066 9.855 -3.264
20 HG23 VAL 2 2HG2 VAL 2 5.838 11.105 -3.472
21 H ASP 3 H ASP 3 3.240 8.301 -7.029
22 HA ASP 3 HA ASP 3 0.920 7.059 -5.779
23 HB2 ASP 3 2HB ASP 3 2.080 6.858 -8.596
24 HB3 ASP 3 3HB ASP 3 0.617 6.031 -8.071
25 H LEU 4 H LEU 4 1.350 5.328 -4.493
26 HA LEU 4 HA LEU 4 3.709 3.644 -4.987
27 HB2 LEU 4 2HB LEU 4 1.753 3.726 -2.659
28 HB3 LEU 4 3HB LEU 4 3.153 2.662 -2.751
29 HG LEU 4 HG LEU 4 3.233 5.708 -2.615
30 HD11 LEU 4 1HD1 LEU 4 2.565 4.728 -0.498
31 HD12 LEU 4 2HD1 LEU 4 4.199 5.378 -0.389
32 HD13 LEU 4 3HD1 LEU 4 3.954 3.635 -0.532
33 HD21 LEU 4 3HD2 LEU 4 5.109 4.873 -3.946
34 HD22 LEU 4 1HD2 LEU 4 5.530 3.714 -2.679
35 HD23 LEU 4 2HD2 LEU 4 5.686 5.449 -2.385
36 H LYS 5 H LYS 5 3.350 2.043 -6.420
37 HA LYS 5 HA LYS 5 0.877 0.443 -6.287
38 HB2 LYS 5 2HB LYS 5 3.198 0.189 -8.242
39 HB3 LYS 5 3HB LYS 5 1.661 -0.678 -8.313
40 HG2 LYS 5 2HG LYS 5 0.545 1.615 -8.609
41 HG3 LYS 5 3HG LYS 5 2.176 2.271 -8.834
42 HD2 LYS 5 2HD LYS 5 0.825 0.126 -10.533
43 HD3 LYS 5 3HD LYS 5 1.142 1.795 -11.012
44 HE2 LYS 5 2HE LYS 5 3.478 1.412 -11.199
45 HE3 LYS 5 3HE LYS 5 3.410 -0.071 -10.252
46 HZ1 LYS 5 3HZ LYS 5 3.691 -0.540 -12.582
47 HZ2 LYS 5 1HZ LYS 5 2.261 0.276 -12.961
48 HZ3 LYS 5 2HZ LYS 5 2.208 -1.136 -12.032
49 H ILE 6 H ILE 6 0.934 -1.226 -4.877
50 HA ILE 6 HA ILE 6 3.504 -2.547 -4.244
51 HB ILE 6 HB ILE 6 0.861 -2.653 -2.706
52 HG12 ILE 6 2HG1 ILE 6 2.397 -1.699 -0.815
53 HG13 ILE 6 3HG1 ILE 6 3.527 -1.307 -2.101
54 HG21 ILE 6 1HG2 ILE 6 3.481 -4.071 -2.082
55 HG22 ILE 6 2HG2 ILE 6 1.999 -4.845 -2.647
56 HG23 ILE 6 3HG2 ILE 6 2.041 -4.077 -1.061
57 HD11 ILE 6 3HD1 ILE 6 2.203 0.603 -1.421
58 HD12 ILE 6 1HD1 ILE 6 0.718 -0.247 -1.846
59 HD13 ILE 6 2HD1 ILE 6 1.885 0.180 -3.103
60 H ASP 7 H ASP 7 3.767 -4.158 -5.719
61 HA ASP 7 HA ASP 7 1.831 -5.746 -6.965
62 HB2 ASP 7 2HB ASP 7 4.048 -5.897 -7.828
63 HB3 ASP 7 3HB ASP 7 4.738 -6.235 -6.244
64 H VAL 8 H VAL 8 0.678 -7.567 -6.341
65 HA VAL 8 HA VAL 8 1.198 -8.764 -3.718
66 HB VAL 8 HB VAL 8 -1.351 -8.990 -3.387
67 HG11 VAL 8 1HG1 VAL 8 -0.218 -6.175 -3.212
68 HG12 VAL 8 2HG1 VAL 8 -0.008 -7.452 -2.010
69 HG13 VAL 8 3HG1 VAL 8 -1.616 -6.793 -2.324
70 HG21 VAL 8 3HG2 VAL 8 -2.083 -8.348 -5.668
71 HG22 VAL 8 1HG2 VAL 8 -1.475 -6.709 -5.405
72 HG23 VAL 8 2HG2 VAL 8 -2.827 -7.318 -4.443
73 H SER 9 H SER 9 1.440 -10.843 -3.961
74 HA SER 9 HA SER 9 1.065 -12.223 -6.446
75 HB2 SER 9 2HB SER 9 1.845 -13.316 -3.708
76 HB3 SER 9 3HB SER 9 2.083 -14.131 -5.253
77 HG SER 9 HG SER 9 3.349 -12.085 -5.750
78 H ASP 10 H ASP 10 -1.158 -11.521 -4.017
79 HA ASP 10 HA ASP 10 -3.024 -13.562 -4.961
80 HB2 ASP 10 2HB ASP 10 -1.792 -14.512 -2.942
81 HB3 ASP 10 3HB ASP 10 -2.465 -13.200 -1.976
82 H ASP 11 H ASP 11 -5.258 -13.153 -3.848
83 HA ASP 11 HA ASP 11 -5.868 -10.339 -4.409
84 HB2 ASP 11 2HB ASP 11 -7.819 -12.644 -4.006
85 HB3 ASP 11 3HB ASP 11 -8.186 -11.052 -4.662
86 H GLU 12 H GLU 12 -6.263 -12.782 -1.892
87 HA GLU 12 HA GLU 12 -7.605 -11.140 0.027
88 HB2 GLU 12 2HB GLU 12 -7.725 -13.624 0.036
89 HB3 GLU 12 3HB GLU 12 -6.004 -13.706 0.400
90 HG2 GLU 12 2HG GLU 12 -6.445 -12.526 2.563
91 HG3 GLU 12 3HG GLU 12 -8.172 -12.570 2.202
92 H GLU 13 H GLU 13 -4.226 -11.877 -0.718
93 HA GLU 13 HA GLU 13 -2.768 -10.728 1.309
94 HB2 GLU 13 2HB GLU 13 -1.814 -11.850 -0.713
95 HB3 GLU 13 3HB GLU 13 -2.280 -10.472 -1.697
96 HG2 GLU 13 2HG GLU 13 0.054 -10.243 -1.314
97 HG3 GLU 13 3HG GLU 13 -0.730 -9.044 -0.299
98 H ALA 14 H ALA 14 -4.428 -9.141 -1.361
99 HA ALA 14 HA ALA 14 -3.517 -6.521 -1.136
100 HB1 ALA 14 3HB ALA 14 -6.202 -7.535 -2.112
101 HB2 ALA 14 1HB ALA 14 -4.732 -7.396 -3.083
102 HB3 ALA 14 2HB ALA 14 -5.520 -5.944 -2.456
103 H GLU 15 H GLU 15 -6.243 -8.153 0.483
104 HA GLU 15 HA GLU 15 -7.619 -5.941 1.505
105 HB2 GLU 15 2HB GLU 15 -7.442 -8.721 2.746
106 HB3 GLU 15 3HB GLU 15 -8.694 -7.521 3.076
107 HG2 GLU 15 2HG GLU 15 -9.376 -7.655 0.682
108 HG3 GLU 15 3HG GLU 15 -8.192 -8.939 0.437
109 H LYS 16 H LYS 16 -4.918 -7.770 2.877
110 HA LYS 16 HA LYS 16 -4.877 -6.544 5.440
111 HB2 LYS 16 2HB LYS 16 -2.634 -7.887 3.889
112 HB3 LYS 16 3HB LYS 16 -2.540 -7.427 5.587
113 HG2 LYS 16 2HG LYS 16 -4.362 -9.014 6.115
114 HG3 LYS 16 3HG LYS 16 -4.439 -9.486 4.412
115 HD2 LYS 16 2HD LYS 16 -2.006 -9.798 6.225
116 HD3 LYS 16 3HD LYS 16 -3.121 -11.098 5.786
117 HE2 LYS 16 2HE LYS 16 -2.462 -10.936 3.446
118 HE3 LYS 16 3HE LYS 16 -1.484 -9.507 3.776
119 HZ1 LYS 16 3HZ LYS 16 -0.068 -11.382 3.592
120 HZ2 LYS 16 1HZ LYS 16 -0.961 -12.267 4.732
121 HZ3 LYS 16 2HZ LYS 16 -0.083 -10.903 5.212
122 H ILE 17 H ILE 17 -3.276 -5.804 2.378
123 HA ILE 17 HA ILE 17 -1.431 -3.872 3.343
124 HB ILE 17 HB ILE 17 -2.600 -4.195 0.538
125 HG12 ILE 17 2HG1 ILE 17 -1.669 -6.325 1.110
126 HG13 ILE 17 3HG1 ILE 17 -0.427 -5.548 0.139
127 HG21 ILE 17 1HG2 ILE 17 -0.510 -3.139 -0.274
128 HG22 ILE 17 2HG2 ILE 17 -0.016 -2.860 1.398
129 HG23 ILE 17 3HG2 ILE 17 -1.449 -2.054 0.754
130 HD11 ILE 17 3HD1 ILE 17 0.792 -4.973 2.203
131 HD12 ILE 17 1HD1 ILE 17 0.535 -6.706 2.020
132 HD13 ILE 17 2HD1 ILE 17 -0.456 -5.794 3.150
133 H ILE 18 H ILE 18 -4.561 -3.628 1.776
134 HA ILE 18 HA ILE 18 -4.780 -0.800 1.757
135 HB ILE 18 HB ILE 18 -6.968 -2.919 1.499
136 HG12 ILE 18 2HG1 ILE 18 -5.416 -1.483 -0.716
137 HG13 ILE 18 3HG1 ILE 18 -5.084 -3.123 -0.176
138 HG21 ILE 18 1HG2 ILE 18 -7.018 0.005 0.651
139 HG22 ILE 18 2HG2 ILE 18 -7.923 -0.698 1.992
140 HG23 ILE 18 3HG2 ILE 18 -8.292 -1.180 0.336
141 HD11 ILE 18 3HD1 ILE 18 -6.355 -3.127 -2.223
142 HD12 ILE 18 1HD1 ILE 18 -7.636 -2.175 -1.474
143 HD13 ILE 18 2HD1 ILE 18 -7.308 -3.818 -0.912
144 H ARG 19 H ARG 19 -5.854 -3.329 4.075
145 HA ARG 19 HA ARG 19 -7.520 -1.633 5.619
146 HB2 ARG 19 2HB ARG 19 -7.766 -3.352 7.194
147 HB3 ARG 19 3HB ARG 19 -7.443 -4.232 5.707
148 HG2 ARG 19 2HG ARG 19 -5.137 -4.628 6.406
149 HG3 ARG 19 3HG ARG 19 -5.364 -3.644 7.846
150 HD2 ARG 19 2HD ARG 19 -6.711 -6.290 7.233
151 HD3 ARG 19 3HD ARG 19 -5.435 -6.008 8.417
152 HE ARG 19 HE ARG 19 -8.237 -5.615 8.767
153 HH11 ARG 19 1HH1 ARG 19 -5.138 -4.323 9.875
154 HH12 ARG 19 2HH1 ARG 19 -5.803 -3.717 11.360
155 HH21 ARG 19 1HH2 ARG 19 -9.078 -4.782 10.685
156 HH22 ARG 19 2HH2 ARG 19 -8.040 -3.980 11.822
157 H GLU 20 H GLU 20 -4.052 -2.462 5.844
158 HA GLU 20 HA GLU 20 -3.543 -1.213 8.318
159 HB2 GLU 20 2HB GLU 20 -1.658 -1.751 5.987
160 HB3 GLU 20 3HB GLU 20 -1.134 -1.196 7.579
161 HG2 GLU 20 2HG GLU 20 -2.494 -3.831 6.944
162 HG3 GLU 20 3HG GLU 20 -0.794 -3.601 7.331
163 H ILE 21 H ILE 21 -3.183 0.017 4.959
164 HA ILE 21 HA ILE 21 -2.250 2.587 5.697
165 HB ILE 21 HB ILE 21 -3.832 1.913 3.184
166 HG12 ILE 21 2HG1 ILE 21 -1.953 0.336 3.351
167 HG13 ILE 21 3HG1 ILE 21 -1.611 1.512 2.093
168 HG21 ILE 21 1HG2 ILE 21 -1.810 4.125 3.746
169 HG22 ILE 21 2HG2 ILE 21 -3.551 4.329 3.539
170 HG23 ILE 21 3HG2 ILE 21 -2.568 3.797 2.176
171 HD11 ILE 21 3HD1 ILE 21 0.357 0.996 3.393
172 HD12 ILE 21 1HD1 ILE 21 -0.444 1.513 4.876
173 HD13 ILE 21 2HD1 ILE 21 -0.091 2.688 3.603
174 H ARG 22 H ARG 22 -5.563 1.314 5.247
175 HA ARG 22 HA ARG 22 -6.931 3.775 5.590
176 HB2 ARG 22 2HB ARG 22 -7.876 0.906 5.918
177 HB3 ARG 22 3HB ARG 22 -8.954 2.288 6.097
178 HG2 ARG 22 2HG ARG 22 -8.498 2.939 3.755
179 HG3 ARG 22 3HG ARG 22 -7.434 1.544 3.570
180 HD2 ARG 22 2HD ARG 22 -9.622 1.048 2.598
181 HD3 ARG 22 3HD ARG 22 -9.362 0.039 4.023
182 HE ARG 22 HE ARG 22 -10.709 2.095 5.082
183 HH11 ARG 22 1HH1 ARG 22 -11.451 0.145 2.218
184 HH12 ARG 22 2HH1 ARG 22 -13.164 0.379 2.375
185 HH21 ARG 22 1HH2 ARG 22 -12.923 2.418 5.231
186 HH22 ARG 22 2HH2 ARG 22 -14.000 1.674 4.092
187 H GLU 23 H GLU 23 -5.744 1.407 7.955
188 HA GLU 23 HA GLU 23 -7.338 2.360 10.150
189 HB2 GLU 23 2HB GLU 23 -4.864 0.595 10.072
190 HB3 GLU 23 3HB GLU 23 -5.686 1.020 11.574
191 HG2 GLU 23 2HG GLU 23 -6.846 -0.560 9.256
192 HG3 GLU 23 3HG GLU 23 -6.369 -1.194 10.827
193 H GLN 24 H GLN 24 -4.114 3.029 8.952
194 HA GLN 24 HA GLN 24 -3.372 4.800 11.151
195 HB2 GLN 24 2HB GLN 24 -1.962 4.327 8.488
196 HB3 GLN 24 3HB GLN 24 -1.262 5.079 9.920
197 HG2 GLN 24 2HG GLN 24 -1.241 2.997 11.111
198 HG3 GLN 24 3HG GLN 24 -2.253 2.216 9.899
199 HE21 GLN 24 1HE2 GLN 24 0.986 3.304 10.646
200 HE22 GLN 24 2HE2 GLN 24 1.768 2.498 9.333
201 H TRP 25 H TRP 25 -4.043 5.113 7.670
202 HA TRP 25 HA TRP 25 -4.787 7.965 7.995
203 HB2 TRP 25 2HB TRP 25 -3.627 6.661 5.497
204 HB3 TRP 25 3HB TRP 25 -3.991 8.373 5.706
205 HD1 TRP 25 HD1 TRP 25 -2.273 9.787 7.312
206 HE1 TRP 25 HE1 TRP 25 0.177 9.346 7.966
207 HE3 TRP 25 HE3 TRP 25 -1.909 4.876 5.901
208 HZ2 TRP 25 HZ2 TRP 25 2.021 7.223 7.888
209 HZ3 TRP 25 HZ3 TRP 25 0.241 3.712 6.219
210 HH2 TRP 25 HH2 TRP 25 2.167 4.866 7.192
211 HA PRO 26 HA PRO 26 -8.584 5.622 6.663
212 HB2 PRO 26 2HB PRO 26 -10.437 7.242 7.889
213 HB3 PRO 26 3HB PRO 26 -9.519 5.999 8.771
214 HG2 PRO 26 2HG PRO 26 -8.988 8.961 8.596
215 HG3 PRO 26 3HG PRO 26 -8.970 7.897 10.022
216 HD2 PRO 26 2HD PRO 26 -6.673 8.634 8.752
217 HD3 PRO 26 3HD PRO 26 -6.846 7.047 9.539
218 H LYS 27 H LYS 27 -7.573 8.854 6.117
219 HA LYS 27 HA LYS 27 -9.598 9.400 4.059
220 HB2 LYS 27 2HB LYS 27 -7.616 11.153 5.559
221 HB3 LYS 27 3HB LYS 27 -8.561 11.746 4.198
222 HG2 LYS 27 2HG LYS 27 -9.727 10.651 6.788
223 HG3 LYS 27 3HG LYS 27 -9.532 12.365 6.397
224 HD2 LYS 27 2HD LYS 27 -11.286 10.377 4.877
225 HD3 LYS 27 3HD LYS 27 -11.860 11.607 6.007
226 HE2 LYS 27 2HE LYS 27 -11.095 13.388 4.515
227 HE3 LYS 27 3HE LYS 27 -10.369 12.207 3.425
228 HZ1 LYS 27 3HZ LYS 27 -13.252 12.586 3.974
229 HZ2 LYS 27 1HZ LYS 27 -12.625 11.294 3.079
230 HZ3 LYS 27 2HZ LYS 27 -12.433 12.877 2.526
231 H ALA 28 H ALA 28 -7.492 7.444 3.457
232 HA ALA 28 HA ALA 28 -5.595 8.948 1.732
233 HB1 ALA 28 3HB ALA 28 -4.378 7.827 3.556
234 HB2 ALA 28 1HB ALA 28 -4.010 7.085 1.997
235 HB3 ALA 28 2HB ALA 28 -5.119 6.285 3.115
236 H THR 29 H THR 29 -6.376 8.720 -0.413
237 HA THR 29 HA THR 29 -8.051 6.673 -1.250
238 HB THR 29 HB THR 29 -6.211 8.374 -2.992
239 HG1 THR 29 HG1 THR 29 -8.741 8.842 -1.792
240 HG21 THR 29 3HG2 THR 29 -8.832 6.947 -3.648
241 HG22 THR 29 1HG2 THR 29 -7.234 6.486 -4.247
242 HG23 THR 29 2HG2 THR 29 -7.951 8.022 -4.734
243 H VAL 30 H VAL 30 -7.396 4.631 -0.930
244 HA VAL 30 HA VAL 30 -5.090 3.604 -2.480
245 HB VAL 30 HB VAL 30 -6.631 2.130 -0.286
246 HG11 VAL 30 1HG1 VAL 30 -3.939 1.513 -1.569
247 HG12 VAL 30 2HG1 VAL 30 -5.452 0.663 -1.898
248 HG13 VAL 30 3HG1 VAL 30 -4.723 0.573 -0.293
249 HG21 VAL 30 3HG2 VAL 30 -3.972 3.577 0.008
250 HG22 VAL 30 1HG2 VAL 30 -4.756 2.582 1.238
251 HG23 VAL 30 2HG2 VAL 30 -5.507 4.092 0.715
252 H THR 31 H THR 31 -5.811 2.890 -4.458
253 HA THR 31 HA THR 31 -8.537 1.879 -4.807
254 HB THR 31 HB THR 31 -6.284 2.482 -6.779
255 HG1 THR 31 HG1 THR 31 -7.092 4.394 -6.123
256 HG21 THR 31 3HG2 THR 31 -7.964 2.238 -8.573
257 HG22 THR 31 1HG2 THR 31 -9.162 1.706 -7.388
258 HG23 THR 31 2HG2 THR 31 -7.738 0.713 -7.713
259 H ARG 32 H ARG 32 -8.963 -0.295 -5.000
260 HA ARG 32 HA ARG 32 -6.821 -2.222 -4.638
261 HB2 ARG 32 2HB ARG 32 -8.873 -2.477 -3.334
262 HB3 ARG 32 3HB ARG 32 -9.858 -2.481 -4.795
263 HG2 ARG 32 2HG ARG 32 -8.820 -4.643 -5.466
264 HG3 ARG 32 3HG ARG 32 -7.841 -4.612 -3.995
265 HD2 ARG 32 2HD ARG 32 -9.808 -6.077 -3.749
266 HD3 ARG 32 3HD ARG 32 -9.842 -4.731 -2.607
267 HE ARG 32 HE ARG 32 -11.380 -4.619 -5.134
268 HH11 ARG 32 1HH1 ARG 32 -11.395 -4.586 -1.599
269 HH12 ARG 32 2HH1 ARG 32 -13.057 -4.113 -1.500
270 HH21 ARG 32 1HH2 ARG 32 -13.543 -4.012 -4.980
271 HH22 ARG 32 2HH2 ARG 32 -14.282 -3.786 -3.425
272 H THR 33 H THR 33 -5.994 -3.382 -6.291
273 HA THR 33 HA THR 33 -7.361 -3.602 -8.866
274 HB THR 33 HB THR 33 -4.463 -2.652 -8.607
275 HG1 THR 33 HG1 THR 33 -6.864 -1.255 -8.758
276 HG21 THR 33 3HG2 THR 33 -6.244 -2.843 -11.056
277 HG22 THR 33 1HG2 THR 33 -4.877 -3.908 -10.694
278 HG23 THR 33 2HG2 THR 33 -4.604 -2.191 -11.015
279 H ASN 34 H ASN 34 -7.029 -5.710 -9.697
280 HA ASN 34 HA ASN 34 -5.810 -7.651 -7.981
281 HB2 ASN 34 2HB ASN 34 -6.792 -7.926 -10.862
282 HB3 ASN 34 3HB ASN 34 -6.321 -9.272 -9.826
283 HD21 ASN 34 1HD2 ASN 34 -7.630 -9.767 -8.004
284 HD22 ASN 34 2HD2 ASN 34 -9.281 -9.280 -7.927
285 H GLY 35 H GLY 35 -3.662 -7.570 -7.688
286 HA2 GLY 35 2HA GLY 35 -1.535 -8.437 -8.563
287 HA3 GLY 35 3HA GLY 35 -1.835 -7.540 -10.043
288 H ASP 36 H ASP 36 -2.783 -5.137 -8.744
289 HA ASP 36 HA ASP 36 -0.249 -4.104 -7.561
290 HB2 ASP 36 2HB ASP 36 -2.060 -2.751 -9.618
291 HB3 ASP 36 3HB ASP 36 -0.786 -1.906 -8.746
292 H ILE 37 H ILE 37 -0.520 -2.906 -5.728
293 HA ILE 37 HA ILE 37 -3.224 -1.980 -4.937
294 HB ILE 37 HB ILE 37 -0.649 -2.067 -3.289
295 HG12 ILE 37 2HG1 ILE 37 -1.496 -4.331 -3.770
296 HG13 ILE 37 3HG1 ILE 37 -1.714 -3.962 -2.061
297 HG21 ILE 37 1HG2 ILE 37 -3.460 -1.351 -2.386
298 HG22 ILE 37 2HG2 ILE 37 -2.090 -0.249 -2.507
299 HG23 ILE 37 3HG2 ILE 37 -2.062 -1.552 -1.318
300 HD11 ILE 37 3HD1 ILE 37 -3.617 -5.120 -2.991
301 HD12 ILE 37 1HD1 ILE 37 -3.847 -3.859 -4.194
302 HD13 ILE 37 2HD1 ILE 37 -4.085 -3.501 -2.478
303 H LYS 38 H LYS 38 -3.591 -0.053 -5.971
304 HA LYS 38 HA LYS 38 -1.422 1.870 -6.353
305 HB2 LYS 38 2HB LYS 38 -4.282 1.705 -7.352
306 HB3 LYS 38 3HB LYS 38 -3.397 3.229 -7.443
307 HG2 LYS 38 2HG LYS 38 -1.584 1.903 -8.710
308 HG3 LYS 38 3HG LYS 38 -2.783 0.609 -8.855
309 HD2 LYS 38 2HD LYS 38 -3.152 3.473 -9.841
310 HD3 LYS 38 3HD LYS 38 -2.668 2.112 -10.856
311 HE2 LYS 38 2HE LYS 38 -5.296 2.247 -9.326
312 HE3 LYS 38 3HE LYS 38 -5.101 2.688 -11.024
313 HZ1 LYS 38 3HZ LYS 38 -4.582 0.004 -9.862
314 HZ2 LYS 38 1HZ LYS 38 -4.379 0.425 -11.489
315 HZ3 LYS 38 2HZ LYS 38 -5.918 0.442 -10.794
316 H LEU 39 H LEU 39 -1.218 3.736 -5.262
317 HA LEU 39 HA LEU 39 -3.066 4.463 -3.091
318 HB2 LEU 39 2HB LEU 39 -1.188 2.751 -2.423
319 HB3 LEU 39 3HB LEU 39 -0.075 4.090 -2.614
320 HG LEU 39 HG LEU 39 -2.386 4.075 -0.622
321 HD11 LEU 39 1HD1 LEU 39 -0.819 2.294 -0.063
322 HD12 LEU 39 2HD1 LEU 39 -0.696 3.605 1.108
323 HD13 LEU 39 3HD1 LEU 39 0.538 3.423 -0.143
324 HD21 LEU 39 3HD2 LEU 39 -1.216 5.949 0.449
325 HD22 LEU 39 1HD2 LEU 39 -1.617 6.341 -1.220
326 HD23 LEU 39 2HD2 LEU 39 0.037 5.899 -0.796
327 H ASP 40 H ASP 40 -3.022 6.680 -2.712
328 HA ASP 40 HA ASP 40 -1.235 8.354 -4.408
329 HB2 ASP 40 2HB ASP 40 -4.043 8.993 -3.373
330 HB3 ASP 40 3HB ASP 40 -3.009 10.135 -4.223
331 H ALA 41 H ALA 41 0.406 8.903 -3.066
332 HA ALA 41 HA ALA 41 -0.048 9.488 -0.237
333 HB1 ALA 41 3HB ALA 41 2.401 9.670 -0.083
334 HB2 ALA 41 1HB ALA 41 2.530 9.505 -1.838
335 HB3 ALA 41 2HB ALA 41 1.924 8.160 -0.867
336 H GLN 42 H GLN 42 -0.350 11.485 0.559
337 HA GLN 42 HA GLN 42 -0.514 13.773 -1.153
338 HB2 GLN 42 2HB GLN 42 -0.715 13.661 1.885
339 HB3 GLN 42 3HB GLN 42 -1.186 15.020 0.870
340 HG2 GLN 42 2HG GLN 42 -2.469 12.275 0.886
341 HG3 GLN 42 3HG GLN 42 -3.133 13.744 1.598
342 HE21 GLN 42 1HE2 GLN 42 -4.155 11.935 -0.527
343 HE22 GLN 42 2HE2 GLN 42 -4.514 12.967 -1.867
344 H THR 43 H THR 43 2.027 12.470 0.801
345 HA THR 43 HA THR 43 3.874 14.327 -0.406
346 HB THR 43 HB THR 43 3.232 15.574 1.689
347 HG1 THR 43 HG1 THR 43 5.406 15.980 2.271
348 HG21 THR 43 3HG2 THR 43 2.853 13.649 3.213
349 HG22 THR 43 1HG2 THR 43 4.031 14.784 3.884
350 HG23 THR 43 2HG2 THR 43 4.575 13.270 3.157
351 H GLU 44 H GLU 44 6.171 13.760 0.343
352 HA GLU 44 HA GLU 44 6.659 11.058 -0.373
353 HB2 GLU 44 2HB GLU 44 8.486 13.342 0.459
354 HB3 GLU 44 3HB GLU 44 9.114 11.747 0.076
355 HG2 GLU 44 2HG GLU 44 9.326 13.244 -1.835
356 HG3 GLU 44 3HG GLU 44 8.255 11.893 -2.194
357 H LYS 45 H LYS 45 6.974 12.860 2.685
358 HA LYS 45 HA LYS 45 8.336 10.888 4.171
359 HB2 LYS 45 2HB LYS 45 8.078 13.318 4.818
360 HB3 LYS 45 3HB LYS 45 6.411 12.986 5.264
361 HG2 LYS 45 2HG LYS 45 7.733 13.016 7.273
362 HG3 LYS 45 3HG LYS 45 7.244 11.348 6.977
363 HD2 LYS 45 2HD LYS 45 9.579 11.404 7.695
364 HD3 LYS 45 3HD LYS 45 9.496 10.866 6.017
365 HE2 LYS 45 2HE LYS 45 10.141 13.141 5.273
366 HE3 LYS 45 3HE LYS 45 10.211 13.669 6.954
367 HZ1 LYS 45 3HZ LYS 45 11.976 12.054 7.328
368 HZ2 LYS 45 1HZ LYS 45 12.393 13.169 6.127
369 HZ3 LYS 45 2HZ LYS 45 11.930 11.599 5.703
370 H GLU 46 H GLU 46 4.896 11.634 3.835
371 HA GLU 46 HA GLU 46 3.834 9.620 5.445
372 HB2 GLU 46 2HB GLU 46 2.743 11.698 4.036
373 HB3 GLU 46 3HB GLU 46 2.244 10.361 3.015
374 HG2 GLU 46 2HG GLU 46 0.464 10.767 4.546
375 HG3 GLU 46 3HG GLU 46 1.236 9.261 5.043
376 H ALA 47 H ALA 47 4.476 9.625 1.926
377 HA ALA 47 HA ALA 47 3.742 7.107 1.182
378 HB1 ALA 47 3HB ALA 47 4.579 8.822 -0.385
379 HB2 ALA 47 1HB ALA 47 5.373 7.264 -0.638
380 HB3 ALA 47 2HB ALA 47 6.221 8.564 0.207
381 H GLU 48 H GLU 48 6.895 8.013 2.618
382 HA GLU 48 HA GLU 48 8.220 5.576 2.467
383 HB2 GLU 48 2HB GLU 48 8.438 7.663 4.676
384 HB3 GLU 48 3HB GLU 48 9.620 6.392 4.358
385 HG2 GLU 48 2HG GLU 48 8.922 8.724 2.546
386 HG3 GLU 48 3HG GLU 48 10.389 8.533 3.494
387 H LYS 49 H LYS 49 5.940 6.726 4.888
388 HA LYS 49 HA LYS 49 6.329 4.585 6.790
389 HB2 LYS 49 2HB LYS 49 3.984 6.509 6.549
390 HB3 LYS 49 3HB LYS 49 4.495 5.629 7.991
391 HG2 LYS 49 2HG LYS 49 6.498 6.993 8.165
392 HG3 LYS 49 3HG LYS 49 6.128 7.789 6.624
393 HD2 LYS 49 2HD LYS 49 3.966 8.605 7.657
394 HD3 LYS 49 3HD LYS 49 4.514 7.953 9.204
395 HE2 LYS 49 2HE LYS 49 6.384 9.514 9.233
396 HE3 LYS 49 3HE LYS 49 5.979 10.085 7.611
397 HZ1 LYS 49 3HZ LYS 49 4.231 10.363 10.000
398 HZ2 LYS 49 1HZ LYS 49 3.911 10.968 8.453
399 HZ3 LYS 49 2HZ LYS 49 5.200 11.587 9.360
400 H MET 50 H MET 50 3.923 5.508 4.469
401 HA MET 50 HA MET 50 1.972 3.550 4.673
402 HB2 MET 50 2HB MET 50 2.928 5.029 2.200
403 HB3 MET 50 3HB MET 50 1.539 3.949 2.162
404 HG2 MET 50 2HG MET 50 0.343 5.328 3.722
405 HG3 MET 50 3HG MET 50 1.760 6.345 3.994
406 HE1 MET 50 3HE MET 50 -1.342 7.144 3.077
407 HE2 MET 50 1HE MET 50 -0.971 8.497 2.010
408 HE3 MET 50 2HE MET 50 -0.131 8.338 3.553
409 H GLU 51 H GLU 51 4.551 3.451 2.210
410 HA GLU 51 HA GLU 51 4.226 0.780 1.444
411 HB2 GLU 51 2HB GLU 51 6.371 1.077 0.264
412 HB3 GLU 51 3HB GLU 51 5.360 2.501 0.068
413 HG2 GLU 51 2HG GLU 51 6.665 3.551 1.961
414 HG3 GLU 51 3HG GLU 51 7.780 2.191 1.870
415 H LYS 52 H LYS 52 6.053 2.168 4.117
416 HA LYS 52 HA LYS 52 7.720 -0.080 4.704
417 HB2 LYS 52 2HB LYS 52 8.237 2.201 5.513
418 HB3 LYS 52 3HB LYS 52 6.805 2.175 6.537
419 HG2 LYS 52 2HG LYS 52 7.776 0.362 7.886
420 HG3 LYS 52 3HG LYS 52 9.183 0.307 6.816
421 HD2 LYS 52 2HD LYS 52 9.720 2.674 7.469
422 HD3 LYS 52 3HD LYS 52 8.373 2.637 8.615
423 HE2 LYS 52 2HE LYS 52 9.461 0.822 9.853
424 HE3 LYS 52 3HE LYS 52 10.780 0.780 8.682
425 HZ1 LYS 52 3HZ LYS 52 11.460 1.983 10.618
426 HZ2 LYS 52 1HZ LYS 52 10.118 3.012 10.524
427 HZ3 LYS 52 2HZ LYS 52 11.314 3.072 9.335
428 H ALA 53 H ALA 53 4.582 1.028 5.897
429 HA ALA 53 HA ALA 53 4.070 -0.911 7.860
430 HB1 ALA 53 3HB ALA 53 2.777 1.165 7.646
431 HB2 ALA 53 1HB ALA 53 1.705 -0.241 7.604
432 HB3 ALA 53 2HB ALA 53 2.112 0.609 6.109
433 H VAL 54 H VAL 54 3.564 -0.880 4.385
434 HA VAL 54 HA VAL 54 2.246 -3.353 4.058
435 HB VAL 54 HB VAL 54 4.090 -1.846 2.151
436 HG11 VAL 54 1HG1 VAL 54 2.978 -3.100 0.336
437 HG12 VAL 54 2HG1 VAL 54 2.083 -4.038 1.530
438 HG13 VAL 54 3HG1 VAL 54 3.839 -4.179 1.433
439 HG21 VAL 54 3HG2 VAL 54 2.164 -0.484 2.873
440 HG22 VAL 54 1HG2 VAL 54 1.056 -1.771 2.390
441 HG23 VAL 54 2HG2 VAL 54 2.013 -0.924 1.169
442 H LYS 55 H LYS 55 5.708 -2.452 3.968
443 HA LYS 55 HA LYS 55 6.832 -4.959 3.370
444 HB2 LYS 55 2HB LYS 55 8.034 -2.619 4.916
445 HB3 LYS 55 3HB LYS 55 8.969 -4.005 4.350
446 HG2 LYS 55 2HG LYS 55 8.603 -3.401 2.055
447 HG3 LYS 55 3HG LYS 55 7.379 -2.210 2.496
448 HD2 LYS 55 2HD LYS 55 9.350 -0.991 1.983
449 HD3 LYS 55 3HD LYS 55 9.176 -0.932 3.726
450 HE2 LYS 55 2HE LYS 55 11.512 -1.301 3.135
451 HE3 LYS 55 3HE LYS 55 10.880 -2.739 3.935
452 HZ1 LYS 55 3HZ LYS 55 10.656 -3.813 1.803
453 HZ2 LYS 55 1HZ LYS 55 12.239 -3.257 1.975
454 HZ3 LYS 55 2HZ LYS 55 11.154 -2.419 0.988
455 H LYS 56 H LYS 56 5.619 -3.695 6.407
456 HA LYS 56 HA LYS 56 6.709 -5.684 8.147
457 HB2 LYS 56 2HB LYS 56 4.605 -3.553 8.377
458 HB3 LYS 56 3HB LYS 56 4.469 -4.883 9.501
459 HG2 LYS 56 2HG LYS 56 5.613 -3.149 10.628
460 HG3 LYS 56 3HG LYS 56 6.801 -4.404 10.296
461 HD2 LYS 56 2HD LYS 56 6.529 -1.969 8.498
462 HD3 LYS 56 3HD LYS 56 7.471 -1.909 9.986
463 HE2 LYS 56 2HE LYS 56 7.983 -3.778 7.642
464 HE3 LYS 56 3HE LYS 56 8.907 -2.328 8.037
465 HZ1 LYS 56 3HZ LYS 56 8.674 -4.731 9.783
466 HZ2 LYS 56 1HZ LYS 56 9.603 -3.355 10.100
467 HZ3 LYS 56 2HZ LYS 56 10.002 -4.363 8.800
468 H VAL 57 H VAL 57 3.727 -5.431 6.259
469 HA VAL 57 HA VAL 57 2.528 -7.880 7.224
470 HB VAL 57 HB VAL 57 1.812 -6.250 4.739
471 HG11 VAL 57 1HG1 VAL 57 0.808 -8.495 4.692
472 HG12 VAL 57 2HG1 VAL 57 -0.439 -7.279 4.978
473 HG13 VAL 57 3HG1 VAL 57 0.160 -8.259 6.319
474 HG21 VAL 57 3HG2 VAL 57 0.094 -5.151 6.149
475 HG22 VAL 57 1HG2 VAL 57 1.727 -4.826 6.742
476 HG23 VAL 57 2HG2 VAL 57 0.709 -6.012 7.564
477 H LYS 58 H LYS 58 4.767 -7.028 4.750
478 HA LYS 58 HA LYS 58 5.155 -9.717 3.855
479 HB2 LYS 58 2HB LYS 58 4.771 -9.114 1.372
480 HB3 LYS 58 3HB LYS 58 3.355 -9.446 2.363
481 HG2 LYS 58 2HG LYS 58 2.996 -6.977 2.606
482 HG3 LYS 58 3HG LYS 58 4.345 -6.700 1.499
483 HD2 LYS 58 2HD LYS 58 1.854 -8.313 0.794
484 HD3 LYS 58 3HD LYS 58 2.043 -6.596 0.434
485 HE2 LYS 58 2HE LYS 58 3.844 -7.033 -1.078
486 HE3 LYS 58 3HE LYS 58 3.939 -8.729 -0.584
487 HZ1 LYS 58 3HZ LYS 58 1.717 -9.040 -1.481
488 HZ2 LYS 58 1HZ LYS 58 2.810 -8.514 -2.659
489 HZ3 LYS 58 2HZ LYS 58 1.694 -7.431 -2.005
490 HA PRO 59 HA PRO 59 9.098 -7.316 3.797
491 HB2 PRO 59 2HB PRO 59 10.296 -10.049 3.998
492 HB3 PRO 59 3HB PRO 59 10.513 -8.645 5.065
493 HG2 PRO 59 2HG PRO 59 9.094 -10.762 5.884
494 HG3 PRO 59 3HG PRO 59 8.603 -9.105 6.309
495 HD2 PRO 59 2HD PRO 59 7.493 -10.886 4.132
496 HD3 PRO 59 3HD PRO 59 6.619 -9.903 5.333
497 H ASN 60 H ASN 60 7.782 -9.592 1.640
498 HA ASN 60 HA ASN 60 9.929 -9.284 -0.361
499 HB2 ASN 60 2HB ASN 60 7.498 -11.131 -0.324
500 HB3 ASN 60 3HB ASN 60 8.738 -11.113 -1.573
501 HD21 ASN 60 1HD2 ASN 60 10.818 -11.978 -1.080
502 HD22 ASN 60 2HD2 ASN 60 11.081 -12.963 0.318
503 H ALA 61 H ALA 61 7.590 -7.368 0.567
504 HA ALA 61 HA ALA 61 5.838 -6.851 -1.523
505 HB1 ALA 61 3HB ALA 61 5.614 -4.579 -0.588
506 HB2 ALA 61 1HB ALA 61 7.093 -4.807 0.353
507 HB3 ALA 61 2HB ALA 61 5.667 -5.786 0.698
508 H THR 62 H THR 62 6.294 -6.495 -3.588
509 HA THR 62 HA THR 62 8.703 -5.083 -4.492
510 HB THR 62 HB THR 62 6.503 -6.556 -6.032
511 HG1 THR 62 HG1 THR 62 7.873 -7.888 -4.709
512 HG21 THR 62 3HG2 THR 62 7.589 -4.862 -7.471
513 HG22 THR 62 1HG2 THR 62 8.047 -6.496 -7.961
514 HG23 THR 62 2HG2 THR 62 9.176 -5.504 -7.037
515 H ILE 63 H ILE 63 8.395 -2.896 -4.242
516 HA ILE 63 HA ILE 63 5.748 -1.692 -4.768
517 HB ILE 63 HB ILE 63 8.028 -0.773 -2.943
518 HG12 ILE 63 2HG1 ILE 63 5.256 -1.832 -2.220
519 HG13 ILE 63 3HG1 ILE 63 6.719 -2.806 -2.182
520 HG21 ILE 63 1HG2 ILE 63 6.843 1.183 -3.855
521 HG22 ILE 63 2HG2 ILE 63 6.464 0.981 -2.141
522 HG23 ILE 63 3HG2 ILE 63 5.290 0.489 -3.365
523 HD11 ILE 63 3HD1 ILE 63 7.608 -1.219 -0.461
524 HD12 ILE 63 1HD1 ILE 63 6.202 -2.169 0.024
525 HD13 ILE 63 2HD1 ILE 63 6.005 -0.482 -0.431
526 H ARG 64 H ARG 64 5.586 -0.160 -6.271
527 HA ARG 64 HA ARG 64 7.958 0.852 -7.698
528 HB2 ARG 64 2HB ARG 64 5.112 0.339 -8.656
529 HB3 ARG 64 3HB ARG 64 6.195 1.404 -9.532
530 HG2 ARG 64 2HG ARG 64 6.229 -0.704 -10.633
531 HG3 ARG 64 3HG ARG 64 7.780 -0.499 -9.827
532 HD2 ARG 64 2HD ARG 64 7.173 -2.085 -8.101
533 HD3 ARG 64 3HD ARG 64 5.506 -2.158 -8.678
534 HE ARG 64 HE ARG 64 6.147 -3.565 -10.388
535 HH11 ARG 64 1HH1 ARG 64 9.065 -2.381 -8.783
536 HH12 ARG 64 2HH1 ARG 64 10.096 -3.523 -9.578
537 HH21 ARG 64 1HH2 ARG 64 7.519 -5.041 -11.410
538 HH22 ARG 64 2HH2 ARG 64 9.225 -5.032 -11.068
539 H LYS 65 H LYS 65 8.415 2.875 -7.082
540 HA LYS 65 HA LYS 65 6.368 4.741 -6.135
541 HB2 LYS 65 2HB LYS 65 9.356 4.969 -6.614
542 HB3 LYS 65 3HB LYS 65 8.382 6.371 -6.177
543 HG2 LYS 65 2HG LYS 65 7.870 5.444 -4.024
544 HG3 LYS 65 3HG LYS 65 8.531 3.867 -4.475
545 HD2 LYS 65 2HD LYS 65 10.790 4.849 -4.627
546 HD3 LYS 65 3HD LYS 65 10.142 6.437 -4.205
547 HE2 LYS 65 2HE LYS 65 10.026 3.988 -2.416
548 HE3 LYS 65 3HE LYS 65 11.232 5.270 -2.286
549 HZ1 LYS 65 3HZ LYS 65 8.299 5.578 -1.927
550 HZ2 LYS 65 1HZ LYS 65 9.429 6.843 -1.865
551 HZ3 LYS 65 2HZ LYS 65 9.468 5.611 -0.715
552 H THR 66 H THR 66 5.007 5.030 -7.882
553 HA THR 66 HA THR 66 5.953 6.108 -10.420
554 HB THR 66 HB THR 66 3.097 5.626 -9.439
555 HG1 THR 66 HG1 THR 66 4.739 3.816 -10.892
556 HG21 THR 66 3HG2 THR 66 2.552 5.315 -11.822
557 HG22 THR 66 1HG2 THR 66 4.223 5.672 -12.258
558 HG23 THR 66 2HG2 THR 66 3.210 6.931 -11.544
559 H GLY 67 H GLY 67 4.585 8.160 -11.183
560 HA2 GLY 67 2HA GLY 67 3.952 10.363 -10.889
561 HA3 GLY 67 3HA GLY 67 3.821 10.070 -9.157
562 H GLY 68 H GLY 68 4.916 11.999 -8.567
563 HA2 GLY 68 2HA GLY 68 7.794 11.848 -8.560
564 HA3 GLY 68 3HA GLY 68 7.207 13.072 -9.679
565 H SER 69 H SER 69 8.836 13.719 -7.588
566 HA SER 69 HA SER 69 7.169 14.945 -5.486
567 HB2 SER 69 2HB SER 69 10.210 14.698 -5.653
568 HB3 SER 69 3HB SER 69 9.255 15.161 -4.233
569 HG SER 69 HG SER 69 8.244 13.020 -4.490
570 H LEU 70 H LEU 70 6.710 17.123 -5.630
571 HA LEU 70 HA LEU 70 7.778 18.753 -7.708
572 HB2 LEU 70 2HB LEU 70 6.533 20.641 -6.652
573 HB3 LEU 70 3HB LEU 70 5.550 19.240 -7.018
574 HG LEU 70 HG LEU 70 5.773 18.660 -4.471
575 HD11 LEU 70 1HD1 LEU 70 6.097 20.563 -2.949
576 HD12 LEU 70 2HD1 LEU 70 6.546 21.586 -4.318
577 HD13 LEU 70 3HD1 LEU 70 7.559 20.214 -3.866
578 HD21 LEU 70 3HD2 LEU 70 4.164 21.081 -5.322
579 HD22 LEU 70 1HD2 LEU 70 3.863 20.082 -3.895
580 HD23 LEU 70 2HD2 LEU 70 3.684 19.391 -5.507
581 H GLU 71 H GLU 71 9.243 20.508 -7.606
582 HA GLU 71 HA GLU 71 11.217 20.318 -5.406
583 HB2 GLU 71 2HB GLU 71 12.050 19.828 -7.718
584 HB3 GLU 71 3HB GLU 71 11.567 21.447 -8.220
585 HG2 GLU 71 2HG GLU 71 13.155 22.347 -6.430
586 HG3 GLU 71 3HG GLU 71 13.756 20.699 -6.242
587 H HIS 72 H HIS 72 11.073 21.906 -3.958
588 HA HIS 72 HA HIS 72 10.284 24.648 -4.667
589 HB2 HIS 72 2HB HIS 72 9.445 23.660 -2.526
590 HB3 HIS 72 3HB HIS 72 11.099 23.424 -1.983
591 HD1 HIS 72 HD1 HIS 72 11.962 25.214 -0.517
592 HD2 HIS 72 HD2 HIS 72 8.881 26.585 -2.946
593 HE1 HIS 72 HE1 HIS 72 11.488 27.551 0.240
594 HE2 HIS 72 HE2 HIS 72 9.699 28.399 -1.306
595 H HIS 73 H HIS 73 11.867 25.638 -5.763
596 HA HIS 73 HA HIS 73 14.532 24.841 -5.969
597 HB2 HIS 73 2HB HIS 73 13.436 26.097 -7.749
598 HB3 HIS 73 3HB HIS 73 13.198 27.484 -6.694
599 HD1 HIS 73 HD1 HIS 73 14.950 29.274 -6.848
600 HD2 HIS 73 HD2 HIS 73 16.308 25.655 -8.365
601 HE1 HIS 73 HE1 HIS 73 17.177 29.776 -7.893
602 HE2 HIS 73 HE2 HIS 73 17.971 27.564 -8.798
603 H HIS 74 H HIS 74 16.039 24.924 -4.448
604 HA HIS 74 HA HIS 74 16.266 26.959 -2.394
605 HB2 HIS 74 2HB HIS 74 18.233 24.751 -3.210
606 HB3 HIS 74 3HB HIS 74 18.351 25.735 -1.756
607 HD1 HIS 74 HD1 HIS 74 17.639 24.431 0.245
608 HD2 HIS 74 HD2 HIS 74 15.503 23.290 -3.129
609 HE1 HIS 74 HE1 HIS 74 16.132 22.573 0.990
610 HE2 HIS 74 HE2 HIS 74 14.988 21.786 -1.104
611 H HIS 75 H HIS 75 18.775 27.810 -2.238
612 HA HIS 75 HA HIS 75 20.208 29.411 -2.904
613 HB2 HIS 75 2HB HIS 75 19.731 28.287 -5.692
614 HB3 HIS 75 3HB HIS 75 20.813 29.639 -5.406
615 HD1 HIS 75 HD1 HIS 75 21.002 26.188 -5.960
616 HD2 HIS 75 HD2 HIS 75 22.797 28.751 -3.231
617 HE1 HIS 75 HE1 HIS 75 23.103 25.034 -5.225
618 HE2 HIS 75 HE2 HIS 75 24.233 26.661 -3.673
619 H HIS 76 H HIS 76 18.725 30.878 -2.055
620 HA HIS 76 HA HIS 76 18.073 33.026 -3.855
621 HB2 HIS 76 2HB HIS 76 15.652 33.224 -3.127
622 HB3 HIS 76 3HB HIS 76 15.984 31.868 -4.188
623 HD1 HIS 76 HD1 HIS 76 15.285 29.592 -3.389
624 HD2 HIS 76 HD2 HIS 76 15.133 32.431 -0.356
625 HE1 HIS 76 HE1 HIS 76 14.191 28.450 -1.443
626 HE2 HIS 76 HE2 HIS 76 13.941 30.243 0.296
627 H HIS 77 H HIS 77 19.789 32.426 -1.540
628 HA HIS 77 HA HIS 77 18.889 34.166 0.606
629 HB2 HIS 77 2HB HIS 77 20.314 32.269 1.203
630 HB3 HIS 77 3HB HIS 77 21.576 32.807 0.104
631 HD1 HIS 77 HD1 HIS 77 23.086 34.769 0.882
632 HD2 HIS 77 HD2 HIS 77 20.253 33.629 3.710
633 HE1 HIS 77 HE1 HIS 77 23.788 35.866 3.033
634 HE2 HIS 77 HE2 HIS 77 22.048 35.174 4.719
Start of MODEL 20
1 H1 MET 1 1H MET 1 2.104 13.958 -3.530
2 H2 MET 1 2H MET 1 0.670 14.662 -4.072
3 H3 MET 1 3H MET 1 1.944 14.399 -5.151
4 HA MET 1 HA MET 1 0.454 12.307 -3.713
5 HB2 MET 1 2HB MET 1 -0.492 11.725 -5.999
6 HB3 MET 1 3HB MET 1 -1.079 13.220 -5.293
7 HG2 MET 1 2HG MET 1 0.387 14.520 -6.761
8 HG3 MET 1 3HG MET 1 1.044 13.033 -7.444
9 HE1 MET 1 3HE MET 1 -3.385 14.268 -7.998
10 HE2 MET 1 1HE MET 1 -2.249 15.201 -7.025
11 HE3 MET 1 2HE MET 1 -2.764 13.600 -6.489
12 H VAL 2 H VAL 2 1.834 10.717 -3.301
13 HA VAL 2 HA VAL 2 3.752 9.829 -5.365
14 HB VAL 2 HB VAL 2 3.747 9.131 -2.382
15 HG11 VAL 2 1HG1 VAL 2 5.835 8.563 -4.534
16 HG12 VAL 2 2HG1 VAL 2 4.767 7.372 -3.788
17 HG13 VAL 2 3HG1 VAL 2 5.999 8.180 -2.816
18 HG21 VAL 2 3HG2 VAL 2 4.289 11.528 -2.685
19 HG22 VAL 2 1HG2 VAL 2 5.548 11.112 -3.855
20 HG23 VAL 2 2HG2 VAL 2 5.715 10.630 -2.165
21 H ASP 3 H ASP 3 3.081 8.157 -6.455
22 HA ASP 3 HA ASP 3 0.741 6.589 -5.623
23 HB2 ASP 3 2HB ASP 3 0.735 7.859 -7.812
24 HB3 ASP 3 3HB ASP 3 2.082 6.867 -8.360
25 H LEU 4 H LEU 4 1.492 4.917 -4.403
26 HA LEU 4 HA LEU 4 3.903 3.403 -5.176
27 HB2 LEU 4 2HB LEU 4 2.240 3.372 -2.623
28 HB3 LEU 4 3HB LEU 4 3.679 2.394 -2.892
29 HG LEU 4 HG LEU 4 3.633 5.441 -2.806
30 HD11 LEU 4 1HD1 LEU 4 4.754 5.226 -0.632
31 HD12 LEU 4 2HD1 LEU 4 4.560 3.473 -0.698
32 HD13 LEU 4 3HD1 LEU 4 3.140 4.519 -0.612
33 HD21 LEU 4 3HD2 LEU 4 5.450 4.611 -4.240
34 HD22 LEU 4 1HD2 LEU 4 6.002 3.526 -2.960
35 HD23 LEU 4 2HD2 LEU 4 6.109 5.275 -2.750
36 H LYS 5 H LYS 5 3.550 1.732 -6.453
37 HA LYS 5 HA LYS 5 0.986 0.261 -6.447
38 HB2 LYS 5 2HB LYS 5 3.361 0.049 -8.346
39 HB3 LYS 5 3HB LYS 5 1.796 -0.742 -8.548
40 HG2 LYS 5 2HG LYS 5 0.700 1.414 -8.847
41 HG3 LYS 5 3HG LYS 5 2.215 2.270 -8.518
42 HD2 LYS 5 2HD LYS 5 3.224 1.318 -10.546
43 HD3 LYS 5 3HD LYS 5 1.773 0.360 -10.852
44 HE2 LYS 5 2HE LYS 5 0.481 2.469 -11.130
45 HE3 LYS 5 3HE LYS 5 1.973 3.388 -10.897
46 HZ1 LYS 5 3HZ LYS 5 1.527 3.162 -13.213
47 HZ2 LYS 5 1HZ LYS 5 1.392 1.483 -13.088
48 HZ3 LYS 5 2HZ LYS 5 2.885 2.226 -12.839
49 H ILE 6 H ILE 6 0.913 -1.459 -5.093
50 HA ILE 6 HA ILE 6 3.418 -2.871 -4.377
51 HB ILE 6 HB ILE 6 0.755 -2.722 -2.876
52 HG12 ILE 6 2HG1 ILE 6 2.374 -1.847 -0.999
53 HG13 ILE 6 3HG1 ILE 6 3.534 -1.590 -2.293
54 HG21 ILE 6 1HG2 ILE 6 1.786 -4.166 -1.134
55 HG22 ILE 6 2HG2 ILE 6 3.200 -4.395 -2.165
56 HG23 ILE 6 3HG2 ILE 6 1.626 -5.006 -2.677
57 HD11 ILE 6 3HD1 ILE 6 2.378 0.442 -1.689
58 HD12 ILE 6 1HD1 ILE 6 0.821 -0.301 -2.046
59 HD13 ILE 6 2HD1 ILE 6 1.984 -0.018 -3.344
60 H ASP 7 H ASP 7 3.653 -4.496 -5.818
61 HA ASP 7 HA ASP 7 1.638 -6.046 -7.029
62 HB2 ASP 7 2HB ASP 7 3.889 -6.046 -7.940
63 HB3 ASP 7 3HB ASP 7 4.563 -6.682 -6.441
64 H VAL 8 H VAL 8 0.480 -7.778 -6.316
65 HA VAL 8 HA VAL 8 1.095 -8.995 -3.704
66 HB VAL 8 HB VAL 8 -1.414 -9.040 -3.223
67 HG11 VAL 8 1HG1 VAL 8 -0.133 -6.280 -3.324
68 HG12 VAL 8 2HG1 VAL 8 0.058 -7.468 -2.032
69 HG13 VAL 8 3HG1 VAL 8 -1.520 -6.734 -2.327
70 HG21 VAL 8 3HG2 VAL 8 -2.866 -7.359 -4.357
71 HG22 VAL 8 1HG2 VAL 8 -2.274 -8.577 -5.491
72 HG23 VAL 8 2HG2 VAL 8 -1.546 -6.970 -5.463
73 H SER 9 H SER 9 0.969 -11.118 -3.748
74 HA SER 9 HA SER 9 0.352 -12.599 -6.132
75 HB2 SER 9 2HB SER 9 2.234 -13.284 -4.719
76 HB3 SER 9 3HB SER 9 1.167 -13.492 -3.332
77 HG SER 9 HG SER 9 0.369 -15.303 -4.193
78 H ASP 10 H ASP 10 -1.128 -12.056 -2.976
79 HA ASP 10 HA ASP 10 -3.405 -13.847 -3.653
80 HB2 ASP 10 2HB ASP 10 -2.297 -13.089 -0.912
81 HB3 ASP 10 3HB ASP 10 -3.701 -14.113 -1.191
82 H ASP 11 H ASP 11 -5.465 -13.237 -2.681
83 HA ASP 11 HA ASP 11 -6.016 -10.407 -3.223
84 HB2 ASP 11 2HB ASP 11 -8.373 -11.033 -3.338
85 HB3 ASP 11 3HB ASP 11 -7.426 -12.114 -4.344
86 H GLU 12 H GLU 12 -6.221 -12.764 -0.578
87 HA GLU 12 HA GLU 12 -7.329 -11.012 1.377
88 HB2 GLU 12 2HB GLU 12 -7.176 -13.498 1.689
89 HB3 GLU 12 3HB GLU 12 -5.426 -13.353 1.836
90 HG2 GLU 12 2HG GLU 12 -5.847 -11.804 3.833
91 HG3 GLU 12 3HG GLU 12 -7.541 -12.281 3.739
92 H GLU 13 H GLU 13 -3.992 -11.799 0.422
93 HA GLU 13 HA GLU 13 -2.538 -10.144 2.169
94 HB2 GLU 13 2HB GLU 13 -1.427 -11.839 0.834
95 HB3 GLU 13 3HB GLU 13 -1.946 -11.073 -0.662
96 HG2 GLU 13 2HG GLU 13 -0.490 -9.122 -0.153
97 HG3 GLU 13 3HG GLU 13 0.048 -9.934 1.323
98 H ALA 14 H ALA 14 -3.970 -9.485 -1.000
99 HA ALA 14 HA ALA 14 -3.178 -6.842 -1.426
100 HB1 ALA 14 3HB ALA 14 -5.781 -8.216 -2.216
101 HB2 ALA 14 1HB ALA 14 -4.280 -8.228 -3.142
102 HB3 ALA 14 2HB ALA 14 -5.163 -6.721 -2.916
103 H GLU 15 H GLU 15 -6.098 -8.129 0.185
104 HA GLU 15 HA GLU 15 -7.245 -5.715 1.024
105 HB2 GLU 15 2HB GLU 15 -7.440 -8.487 2.281
106 HB3 GLU 15 3HB GLU 15 -8.445 -7.113 2.759
107 HG2 GLU 15 2HG GLU 15 -9.365 -6.992 0.483
108 HG3 GLU 15 3HG GLU 15 -8.367 -8.366 0.002
109 H LYS 16 H LYS 16 -4.771 -7.758 2.603
110 HA LYS 16 HA LYS 16 -4.715 -6.689 5.180
111 HB2 LYS 16 2HB LYS 16 -2.342 -7.667 3.530
112 HB3 LYS 16 3HB LYS 16 -2.292 -7.382 5.265
113 HG2 LYS 16 2HG LYS 16 -4.073 -9.440 3.935
114 HG3 LYS 16 3HG LYS 16 -2.465 -9.785 4.573
115 HD2 LYS 16 2HD LYS 16 -3.267 -9.063 6.840
116 HD3 LYS 16 3HD LYS 16 -4.886 -8.841 6.166
117 HE2 LYS 16 2HE LYS 16 -4.949 -11.240 5.556
118 HE3 LYS 16 3HE LYS 16 -3.336 -11.456 6.238
119 HZ1 LYS 16 3HZ LYS 16 -4.219 -10.820 8.390
120 HZ2 LYS 16 1HZ LYS 16 -5.035 -12.162 7.767
121 HZ3 LYS 16 2HZ LYS 16 -5.758 -10.633 7.727
122 H ILE 17 H ILE 17 -2.995 -5.658 2.263
123 HA ILE 17 HA ILE 17 -1.479 -3.518 3.272
124 HB ILE 17 HB ILE 17 -2.675 -3.764 0.464
125 HG12 ILE 17 2HG1 ILE 17 -1.477 -5.819 0.852
126 HG13 ILE 17 3HG1 ILE 17 -0.412 -4.820 -0.129
127 HG21 ILE 17 1HG2 ILE 17 -0.248 -2.197 1.415
128 HG22 ILE 17 2HG2 ILE 17 -1.784 -1.524 0.866
129 HG23 ILE 17 3HG2 ILE 17 -0.742 -2.383 -0.270
130 HD11 ILE 17 3HD1 ILE 17 0.814 -5.971 1.587
131 HD12 ILE 17 1HD1 ILE 17 -0.205 -5.278 2.843
132 HD13 ILE 17 2HD1 ILE 17 0.859 -4.239 1.890
133 H ILE 18 H ILE 18 -4.618 -3.525 1.608
134 HA ILE 18 HA ILE 18 -5.248 -0.822 1.668
135 HB ILE 18 HB ILE 18 -7.048 -3.294 1.635
136 HG12 ILE 18 2HG1 ILE 18 -5.908 -1.608 -0.646
137 HG13 ILE 18 3HG1 ILE 18 -5.383 -3.221 -0.199
138 HG21 ILE 18 1HG2 ILE 18 -7.806 -0.453 0.848
139 HG22 ILE 18 2HG2 ILE 18 -8.408 -1.342 2.248
140 HG23 ILE 18 3HG2 ILE 18 -8.811 -1.890 0.621
141 HD11 ILE 18 3HD1 ILE 18 -7.555 -4.111 -0.890
142 HD12 ILE 18 1HD1 ILE 18 -6.738 -3.251 -2.194
143 HD13 ILE 18 2HD1 ILE 18 -8.077 -2.484 -1.341
144 H ARG 19 H ARG 19 -5.891 -3.338 4.081
145 HA ARG 19 HA ARG 19 -7.758 -1.870 5.663
146 HB2 ARG 19 2HB ARG 19 -6.197 -4.426 6.247
147 HB3 ARG 19 3HB ARG 19 -7.421 -3.763 7.332
148 HG2 ARG 19 2HG ARG 19 -9.154 -4.067 5.631
149 HG3 ARG 19 3HG ARG 19 -7.953 -4.626 4.466
150 HD2 ARG 19 2HD ARG 19 -7.471 -6.577 5.946
151 HD3 ARG 19 3HD ARG 19 -8.734 -6.021 7.052
152 HE ARG 19 HE ARG 19 -9.485 -6.533 4.265
153 HH11 ARG 19 1HH1 ARG 19 -9.565 -7.699 7.590
154 HH12 ARG 19 2HH1 ARG 19 -10.824 -8.846 7.275
155 HH21 ARG 19 1HH2 ARG 19 -11.118 -8.060 3.884
156 HH22 ARG 19 2HH2 ARG 19 -11.701 -9.049 5.180
157 H GLU 20 H GLU 20 -4.297 -2.681 6.046
158 HA GLU 20 HA GLU 20 -3.868 -1.493 8.565
159 HB2 GLU 20 2HB GLU 20 -1.911 -2.000 6.282
160 HB3 GLU 20 3HB GLU 20 -1.419 -1.475 7.894
161 HG2 GLU 20 2HG GLU 20 -2.807 -4.090 7.207
162 HG3 GLU 20 3HG GLU 20 -1.097 -3.892 7.588
163 H ILE 21 H ILE 21 -3.433 -0.202 5.271
164 HA ILE 21 HA ILE 21 -2.273 2.278 6.031
165 HB ILE 21 HB ILE 21 -3.725 1.546 3.448
166 HG12 ILE 21 2HG1 ILE 21 -1.797 0.072 3.843
167 HG13 ILE 21 3HG1 ILE 21 -1.417 1.174 2.531
168 HG21 ILE 21 1HG2 ILE 21 -1.881 3.906 4.003
169 HG22 ILE 21 2HG2 ILE 21 -3.611 3.985 3.667
170 HG23 ILE 21 3HG2 ILE 21 -2.498 3.447 2.411
171 HD11 ILE 21 3HD1 ILE 21 0.483 0.852 3.972
172 HD12 ILE 21 1HD1 ILE 21 -0.446 1.368 5.380
173 HD13 ILE 21 2HD1 ILE 21 -0.074 2.520 4.094
174 H ARG 22 H ARG 22 -5.664 1.325 5.397
175 HA ARG 22 HA ARG 22 -6.753 3.959 5.507
176 HB2 ARG 22 2HB ARG 22 -8.047 1.227 5.820
177 HB3 ARG 22 3HB ARG 22 -8.976 2.727 5.876
178 HG2 ARG 22 2HG ARG 22 -8.193 3.287 3.590
179 HG3 ARG 22 3HG ARG 22 -7.311 1.757 3.522
180 HD2 ARG 22 2HD ARG 22 -9.424 0.521 3.730
181 HD3 ARG 22 3HD ARG 22 -10.320 2.035 3.884
182 HE ARG 22 HE ARG 22 -9.207 0.869 1.466
183 HH11 ARG 22 1HH1 ARG 22 -10.658 3.733 2.902
184 HH12 ARG 22 2HH1 ARG 22 -11.132 4.392 1.371
185 HH21 ARG 22 1HH2 ARG 22 -9.875 1.731 -0.511
186 HH22 ARG 22 2HH2 ARG 22 -10.688 3.261 -0.555
187 H GLU 23 H GLU 23 -5.910 1.697 8.049
188 HA GLU 23 HA GLU 23 -7.418 2.936 10.169
189 HB2 GLU 23 2HB GLU 23 -4.975 1.114 10.214
190 HB3 GLU 23 3HB GLU 23 -5.821 1.646 11.669
191 HG2 GLU 23 2HG GLU 23 -7.843 0.497 10.971
192 HG3 GLU 23 3HG GLU 23 -7.104 0.066 9.427
193 H GLN 24 H GLN 24 -4.051 3.118 9.093
194 HA GLN 24 HA GLN 24 -3.182 4.883 11.197
195 HB2 GLN 24 2HB GLN 24 -1.759 4.162 8.598
196 HB3 GLN 24 3HB GLN 24 -1.008 4.782 10.068
197 HG2 GLN 24 2HG GLN 24 -1.417 2.726 11.244
198 HG3 GLN 24 3HG GLN 24 -2.489 2.134 9.978
199 HE21 GLN 24 1HE2 GLN 24 -1.353 0.240 9.609
200 HE22 GLN 24 2HE2 GLN 24 0.225 0.202 8.905
201 H TRP 25 H TRP 25 -3.687 5.238 7.701
202 HA TRP 25 HA TRP 25 -4.296 8.123 8.031
203 HB2 TRP 25 2HB TRP 25 -3.214 6.827 5.489
204 HB3 TRP 25 3HB TRP 25 -3.396 8.553 5.814
205 HD1 TRP 25 HD1 TRP 25 -1.581 9.660 7.554
206 HE1 TRP 25 HE1 TRP 25 0.785 8.907 8.211
207 HE3 TRP 25 HE3 TRP 25 -1.749 4.830 5.859
208 HZ2 TRP 25 HZ2 TRP 25 2.361 6.591 8.063
209 HZ3 TRP 25 HZ3 TRP 25 0.236 3.407 6.174
210 HH2 TRP 25 HH2 TRP 25 2.249 4.273 7.254
211 HA PRO 26 HA PRO 26 -8.325 6.315 6.548
212 HB2 PRO 26 2HB PRO 26 -9.873 8.372 7.565
213 HB3 PRO 26 3HB PRO 26 -9.352 6.980 8.540
214 HG2 PRO 26 2HG PRO 26 -8.120 9.728 8.379
215 HG3 PRO 26 3HG PRO 26 -8.490 8.746 9.818
216 HD2 PRO 26 2HD PRO 26 -5.983 8.853 8.823
217 HD3 PRO 26 3HD PRO 26 -6.626 7.346 9.513
218 H LYS 27 H LYS 27 -6.842 9.460 6.218
219 HA LYS 27 HA LYS 27 -8.450 10.362 3.989
220 HB2 LYS 27 2HB LYS 27 -6.777 12.338 4.103
221 HB3 LYS 27 3HB LYS 27 -7.853 12.101 5.463
222 HG2 LYS 27 2HG LYS 27 -5.714 12.688 6.361
223 HG3 LYS 27 3HG LYS 27 -5.963 10.978 6.702
224 HD2 LYS 27 2HD LYS 27 -3.653 11.350 6.013
225 HD3 LYS 27 3HD LYS 27 -4.485 10.394 4.789
226 HE2 LYS 27 2HE LYS 27 -4.885 12.694 3.593
227 HE3 LYS 27 3HE LYS 27 -3.605 13.281 4.657
228 HZ1 LYS 27 3HZ LYS 27 -3.372 11.016 2.762
229 HZ2 LYS 27 1HZ LYS 27 -2.138 11.633 3.739
230 HZ3 LYS 27 2HZ LYS 27 -2.794 12.579 2.516
231 H ALA 28 H ALA 28 -6.945 7.873 3.461
232 HA ALA 28 HA ALA 28 -4.750 8.732 1.659
233 HB1 ALA 28 3HB ALA 28 -3.839 7.421 3.530
234 HB2 ALA 28 1HB ALA 28 -3.758 6.482 2.036
235 HB3 ALA 28 2HB ALA 28 -5.009 6.134 3.235
236 H THR 29 H THR 29 -5.521 8.469 -0.526
237 HA THR 29 HA THR 29 -7.914 6.973 -0.973
238 HB THR 29 HB THR 29 -6.028 8.130 -3.074
239 HG1 THR 29 HG1 THR 29 -6.398 9.936 -2.049
240 HG21 THR 29 3HG2 THR 29 -9.050 7.707 -3.096
241 HG22 THR 29 1HG2 THR 29 -7.868 6.710 -3.950
242 HG23 THR 29 2HG2 THR 29 -8.093 8.399 -4.407
243 H VAL 30 H VAL 30 -7.741 4.782 -0.861
244 HA VAL 30 HA VAL 30 -5.471 3.385 -2.086
245 HB VAL 30 HB VAL 30 -7.884 2.176 -0.647
246 HG11 VAL 30 1HG1 VAL 30 -6.456 0.156 -0.476
247 HG12 VAL 30 2HG1 VAL 30 -5.184 0.968 -1.389
248 HG13 VAL 30 3HG1 VAL 30 -6.728 0.605 -2.161
249 HG21 VAL 30 3HG2 VAL 30 -6.618 3.639 0.908
250 HG22 VAL 30 1HG2 VAL 30 -5.120 2.796 0.498
251 HG23 VAL 30 2HG2 VAL 30 -6.418 1.940 1.338
252 H THR 31 H THR 31 -5.674 2.156 -3.910
253 HA THR 31 HA THR 31 -8.168 2.276 -5.472
254 HB THR 31 HB THR 31 -5.360 2.816 -6.573
255 HG1 THR 31 HG1 THR 31 -7.353 4.536 -5.620
256 HG21 THR 31 3HG2 THR 31 -6.531 3.462 -8.654
257 HG22 THR 31 1HG2 THR 31 -8.085 3.056 -7.921
258 HG23 THR 31 2HG2 THR 31 -6.897 1.788 -8.236
259 H ARG 32 H ARG 32 -8.696 0.141 -5.735
260 HA ARG 32 HA ARG 32 -6.675 -1.938 -5.510
261 HB2 ARG 32 2HB ARG 32 -8.892 -2.202 -4.394
262 HB3 ARG 32 3HB ARG 32 -9.702 -2.119 -5.952
263 HG2 ARG 32 2HG ARG 32 -7.646 -4.284 -5.445
264 HG3 ARG 32 3HG ARG 32 -9.271 -4.452 -4.783
265 HD2 ARG 32 2HD ARG 32 -10.219 -4.316 -7.058
266 HD3 ARG 32 3HD ARG 32 -8.599 -4.102 -7.731
267 HE ARG 32 HE ARG 32 -8.757 -6.482 -6.182
268 HH11 ARG 32 1HH1 ARG 32 -9.686 -5.222 -9.331
269 HH12 ARG 32 2HH1 ARG 32 -9.688 -6.784 -10.073
270 HH21 ARG 32 1HH2 ARG 32 -8.813 -8.500 -7.175
271 HH22 ARG 32 2HH2 ARG 32 -9.201 -8.631 -8.861
272 H THR 33 H THR 33 -5.731 -2.839 -7.226
273 HA THR 33 HA THR 33 -7.005 -2.798 -9.881
274 HB THR 33 HB THR 33 -4.049 -2.135 -9.394
275 HG1 THR 33 HG1 THR 33 -6.234 -0.536 -9.428
276 HG21 THR 33 3HG2 THR 33 -5.649 -2.128 -11.982
277 HG22 THR 33 1HG2 THR 33 -4.422 -3.321 -11.537
278 HG23 THR 33 2HG2 THR 33 -3.963 -1.640 -11.810
279 H ASN 34 H ASN 34 -6.779 -4.842 -10.916
280 HA ASN 34 HA ASN 34 -5.703 -7.111 -9.788
281 HB2 ASN 34 2HB ASN 34 -5.937 -6.358 -12.735
282 HB3 ASN 34 3HB ASN 34 -5.589 -7.987 -12.166
283 HD21 ASN 34 1HD2 ASN 34 -7.232 -9.176 -11.153
284 HD22 ASN 34 2HD2 ASN 34 -8.897 -8.731 -11.279
285 H GLY 35 H GLY 35 -3.705 -8.099 -9.785
286 HA2 GLY 35 2HA GLY 35 -1.416 -8.334 -9.930
287 HA3 GLY 35 3HA GLY 35 -1.336 -6.930 -10.979
288 H ASP 36 H ASP 36 -2.273 -4.876 -9.500
289 HA ASP 36 HA ASP 36 -0.290 -4.690 -7.290
290 HB2 ASP 36 2HB ASP 36 -0.884 -2.520 -9.355
291 HB3 ASP 36 3HB ASP 36 0.323 -2.446 -8.074
292 H ILE 37 H ILE 37 -0.902 -3.556 -5.527
293 HA ILE 37 HA ILE 37 -3.560 -2.333 -5.364
294 HB ILE 37 HB ILE 37 -1.556 -3.116 -3.188
295 HG12 ILE 37 2HG1 ILE 37 -2.719 -5.030 -4.227
296 HG13 ILE 37 3HG1 ILE 37 -3.272 -4.817 -2.572
297 HG21 ILE 37 1HG2 ILE 37 -3.303 -2.487 -1.524
298 HG22 ILE 37 2HG2 ILE 37 -4.296 -1.827 -2.826
299 HG23 ILE 37 3HG2 ILE 37 -2.736 -1.094 -2.447
300 HD11 ILE 37 3HD1 ILE 37 -5.084 -5.371 -4.102
301 HD12 ILE 37 1HD1 ILE 37 -4.750 -3.928 -5.054
302 HD13 ILE 37 2HD1 ILE 37 -5.323 -3.778 -3.390
303 H LYS 38 H LYS 38 -3.555 -0.291 -5.917
304 HA LYS 38 HA LYS 38 -1.057 1.225 -5.997
305 HB2 LYS 38 2HB LYS 38 -2.872 0.820 -7.938
306 HB3 LYS 38 3HB LYS 38 -3.650 2.217 -7.201
307 HG2 LYS 38 2HG LYS 38 -1.671 3.577 -7.589
308 HG3 LYS 38 3HG LYS 38 -0.776 2.168 -8.159
309 HD2 LYS 38 2HD LYS 38 -1.464 3.477 -10.070
310 HD3 LYS 38 3HD LYS 38 -2.366 1.958 -10.073
311 HE2 LYS 38 2HE LYS 38 -3.816 3.871 -10.644
312 HE3 LYS 38 3HE LYS 38 -4.333 3.117 -9.136
313 HZ1 LYS 38 3HZ LYS 38 -4.298 5.561 -9.063
314 HZ2 LYS 38 1HZ LYS 38 -2.622 5.536 -9.289
315 HZ3 LYS 38 2HZ LYS 38 -3.296 4.859 -7.900
316 H LEU 39 H LEU 39 -0.686 2.888 -4.651
317 HA LEU 39 HA LEU 39 -2.708 3.519 -2.574
318 HB2 LEU 39 2HB LEU 39 -0.546 1.962 -2.163
319 HB3 LEU 39 3HB LEU 39 0.282 3.499 -2.044
320 HG LEU 39 HG LEU 39 -1.961 2.510 -0.233
321 HD11 LEU 39 1HD1 LEU 39 0.145 1.361 0.178
322 HD12 LEU 39 2HD1 LEU 39 -0.242 2.437 1.517
323 HD13 LEU 39 3HD1 LEU 39 0.988 2.906 0.341
324 HD21 LEU 39 3HD2 LEU 39 -2.156 4.924 -0.450
325 HD22 LEU 39 1HD2 LEU 39 -0.444 5.127 -0.064
326 HD23 LEU 39 2HD2 LEU 39 -1.561 4.502 1.153
327 H ASP 40 H ASP 40 -2.903 5.685 -2.049
328 HA ASP 40 HA ASP 40 -1.263 7.654 -3.549
329 HB2 ASP 40 2HB ASP 40 -3.527 7.840 -4.318
330 HB3 ASP 40 3HB ASP 40 -4.179 7.719 -2.693
331 H ALA 41 H ALA 41 0.280 8.129 -2.138
332 HA ALA 41 HA ALA 41 -0.282 9.154 0.549
333 HB1 ALA 41 3HB ALA 41 2.148 9.651 0.611
334 HB2 ALA 41 1HB ALA 41 2.296 9.150 -1.077
335 HB3 ALA 41 2HB ALA 41 1.849 7.973 0.158
336 H GLN 42 H GLN 42 -0.895 11.241 0.852
337 HA GLN 42 HA GLN 42 -1.096 13.173 -1.219
338 HB2 GLN 42 2HB GLN 42 -2.561 13.216 0.765
339 HB3 GLN 42 3HB GLN 42 -1.183 13.525 1.809
340 HG2 GLN 42 2HG GLN 42 -2.550 15.552 1.404
341 HG3 GLN 42 3HG GLN 42 -0.885 15.746 0.855
342 HE21 GLN 42 1HE2 GLN 42 -4.200 15.243 -0.196
343 HE22 GLN 42 2HE2 GLN 42 -3.974 15.797 -1.816
344 H THR 43 H THR 43 1.207 12.688 1.438
345 HA THR 43 HA THR 43 3.051 14.691 0.249
346 HB THR 43 HB THR 43 4.044 14.916 2.539
347 HG1 THR 43 HG1 THR 43 2.390 14.026 4.211
348 HG21 THR 43 3HG2 THR 43 2.296 16.528 1.862
349 HG22 THR 43 1HG2 THR 43 2.188 16.183 3.590
350 HG23 THR 43 2HG2 THR 43 1.043 15.442 2.471
351 H GLU 44 H GLU 44 5.289 14.238 0.377
352 HA GLU 44 HA GLU 44 5.966 11.637 -0.548
353 HB2 GLU 44 2HB GLU 44 6.979 13.832 -1.317
354 HB3 GLU 44 3HB GLU 44 7.857 13.908 0.209
355 HG2 GLU 44 2HG GLU 44 9.046 11.834 -0.356
356 HG3 GLU 44 3HG GLU 44 8.124 11.694 -1.851
357 H LYS 45 H LYS 45 6.292 13.281 2.539
358 HA LYS 45 HA LYS 45 8.068 11.459 3.830
359 HB2 LYS 45 2HB LYS 45 7.710 13.755 4.655
360 HB3 LYS 45 3HB LYS 45 6.022 13.393 4.996
361 HG2 LYS 45 2HG LYS 45 6.700 11.770 6.729
362 HG3 LYS 45 3HG LYS 45 8.402 12.079 6.369
363 HD2 LYS 45 2HD LYS 45 6.415 14.112 7.461
364 HD3 LYS 45 3HD LYS 45 7.646 13.262 8.399
365 HE2 LYS 45 2HE LYS 45 8.148 15.256 6.156
366 HE3 LYS 45 3HE LYS 45 8.419 15.520 7.878
367 HZ1 LYS 45 3HZ LYS 45 10.114 13.796 7.841
368 HZ2 LYS 45 1HZ LYS 45 10.471 15.012 6.720
369 HZ3 LYS 45 2HZ LYS 45 9.848 13.537 6.191
370 H GLU 46 H GLU 46 4.615 11.438 3.230
371 HA GLU 46 HA GLU 46 3.865 9.711 5.424
372 HB2 GLU 46 2HB GLU 46 2.347 11.451 4.570
373 HB3 GLU 46 3HB GLU 46 2.392 10.742 2.960
374 HG2 GLU 46 2HG GLU 46 1.222 8.742 3.804
375 HG3 GLU 46 3HG GLU 46 1.192 9.443 5.427
376 H ALA 47 H ALA 47 4.519 9.516 1.975
377 HA ALA 47 HA ALA 47 3.762 6.947 1.282
378 HB1 ALA 47 3HB ALA 47 5.453 7.099 -0.517
379 HB2 ALA 47 1HB ALA 47 6.206 8.471 0.304
380 HB3 ALA 47 2HB ALA 47 4.570 8.620 -0.344
381 H GLU 48 H GLU 48 6.649 8.017 2.990
382 HA GLU 48 HA GLU 48 8.271 5.724 2.655
383 HB2 GLU 48 2HB GLU 48 8.384 7.757 4.932
384 HB3 GLU 48 3HB GLU 48 9.694 6.701 4.394
385 HG2 GLU 48 2HG GLU 48 9.668 7.885 2.188
386 HG3 GLU 48 3HG GLU 48 8.448 8.989 2.831
387 H LYS 49 H LYS 49 5.869 6.609 5.077
388 HA LYS 49 HA LYS 49 6.394 4.306 6.800
389 HB2 LYS 49 2HB LYS 49 4.089 6.294 6.924
390 HB3 LYS 49 3HB LYS 49 4.640 5.222 8.215
391 HG2 LYS 49 2HG LYS 49 6.774 6.484 8.314
392 HG3 LYS 49 3HG LYS 49 6.178 7.568 7.048
393 HD2 LYS 49 2HD LYS 49 4.304 8.255 8.550
394 HD3 LYS 49 3HD LYS 49 4.937 7.187 9.809
395 HE2 LYS 49 2HE LYS 49 6.285 9.659 8.664
396 HE3 LYS 49 3HE LYS 49 5.635 9.456 10.295
397 HZ1 LYS 49 3HZ LYS 49 7.968 9.183 10.411
398 HZ2 LYS 49 1HZ LYS 49 7.992 8.094 9.116
399 HZ3 LYS 49 2HZ LYS 49 7.297 7.643 10.592
400 H MET 50 H MET 50 4.052 5.387 4.489
401 HA MET 50 HA MET 50 2.059 3.445 4.593
402 HB2 MET 50 2HB MET 50 3.085 5.055 2.244
403 HB3 MET 50 3HB MET 50 1.788 3.888 2.024
404 HG2 MET 50 2HG MET 50 0.429 5.067 3.682
405 HG3 MET 50 3HG MET 50 1.722 6.249 3.908
406 HE1 MET 50 3HE MET 50 -1.573 6.381 2.756
407 HE2 MET 50 1HE MET 50 -1.349 7.888 1.869
408 HE3 MET 50 2HE MET 50 -0.656 7.708 3.481
409 H GLU 51 H GLU 51 4.764 3.343 2.247
410 HA GLU 51 HA GLU 51 4.420 0.661 1.488
411 HB2 GLU 51 2HB GLU 51 6.653 0.845 0.464
412 HB3 GLU 51 3HB GLU 51 5.661 2.251 0.115
413 HG2 GLU 51 2HG GLU 51 6.861 3.530 1.839
414 HG3 GLU 51 3HG GLU 51 7.858 2.123 2.209
415 H LYS 52 H LYS 52 6.023 2.013 4.291
416 HA LYS 52 HA LYS 52 7.646 -0.249 4.971
417 HB2 LYS 52 2HB LYS 52 7.772 2.295 5.719
418 HB3 LYS 52 3HB LYS 52 6.653 1.816 6.983
419 HG2 LYS 52 2HG LYS 52 9.343 0.493 6.543
420 HG3 LYS 52 3HG LYS 52 9.128 1.906 7.577
421 HD2 LYS 52 2HD LYS 52 7.552 0.592 8.999
422 HD3 LYS 52 3HD LYS 52 7.827 -0.821 7.974
423 HE2 LYS 52 2HE LYS 52 9.180 -0.926 10.025
424 HE3 LYS 52 3HE LYS 52 10.206 -0.825 8.594
425 HZ1 LYS 52 3HZ LYS 52 10.517 1.529 9.026
426 HZ2 LYS 52 1HZ LYS 52 10.989 0.616 10.368
427 HZ3 LYS 52 2HZ LYS 52 9.516 1.446 10.381
428 H ALA 53 H ALA 53 4.413 0.893 5.866
429 HA ALA 53 HA ALA 53 3.681 -1.119 7.714
430 HB1 ALA 53 3HB ALA 53 1.362 -0.353 7.346
431 HB2 ALA 53 1HB ALA 53 1.885 0.557 5.924
432 HB3 ALA 53 2HB ALA 53 2.460 1.017 7.527
433 H VAL 54 H VAL 54 3.446 -0.879 4.200
434 HA VAL 54 HA VAL 54 2.188 -3.305 3.589
435 HB VAL 54 HB VAL 54 4.344 -1.768 2.068
436 HG11 VAL 54 1HG1 VAL 54 3.659 -2.992 0.046
437 HG12 VAL 54 2HG1 VAL 54 2.538 -3.962 0.999
438 HG13 VAL 54 3HG1 VAL 54 4.273 -4.101 1.272
439 HG21 VAL 54 3HG2 VAL 54 2.293 -0.459 2.453
440 HG22 VAL 54 1HG2 VAL 54 1.318 -1.751 1.749
441 HG23 VAL 54 2HG2 VAL 54 2.460 -0.857 0.743
442 H LYS 55 H LYS 55 5.666 -2.550 3.939
443 HA LYS 55 HA LYS 55 6.679 -5.131 3.496
444 HB2 LYS 55 2HB LYS 55 7.909 -2.805 5.026
445 HB3 LYS 55 3HB LYS 55 8.777 -4.290 4.637
446 HG2 LYS 55 2HG LYS 55 8.469 -3.836 2.241
447 HG3 LYS 55 3HG LYS 55 7.561 -2.372 2.627
448 HD2 LYS 55 2HD LYS 55 9.790 -1.717 2.072
449 HD3 LYS 55 3HD LYS 55 9.602 -1.482 3.801
450 HE2 LYS 55 2HE LYS 55 11.783 -2.473 3.314
451 HE3 LYS 55 3HE LYS 55 10.793 -3.622 4.207
452 HZ1 LYS 55 3HZ LYS 55 11.901 -4.758 2.446
453 HZ2 LYS 55 1HZ LYS 55 11.362 -3.645 1.294
454 HZ3 LYS 55 2HZ LYS 55 10.263 -4.681 2.047
455 H LYS 56 H LYS 56 5.281 -3.759 6.389
456 HA LYS 56 HA LYS 56 6.115 -5.673 8.299
457 HB2 LYS 56 2HB LYS 56 3.560 -4.025 8.114
458 HB3 LYS 56 3HB LYS 56 3.957 -5.030 9.506
459 HG2 LYS 56 2HG LYS 56 5.623 -2.697 8.501
460 HG3 LYS 56 3HG LYS 56 4.482 -2.631 9.852
461 HD2 LYS 56 2HD LYS 56 5.852 -4.398 11.021
462 HD3 LYS 56 3HD LYS 56 7.024 -4.316 9.700
463 HE2 LYS 56 2HE LYS 56 7.751 -2.981 11.649
464 HE3 LYS 56 3HE LYS 56 7.481 -1.962 10.235
465 HZ1 LYS 56 3HZ LYS 56 5.513 -2.342 12.425
466 HZ2 LYS 56 1HZ LYS 56 5.386 -1.271 11.122
467 HZ3 LYS 56 2HZ LYS 56 6.572 -1.030 12.303
468 H VAL 57 H VAL 57 3.347 -5.578 6.091
469 HA VAL 57 HA VAL 57 2.227 -8.122 6.833
470 HB VAL 57 HB VAL 57 1.828 -6.501 4.268
471 HG11 VAL 57 1HG1 VAL 57 -0.275 -7.749 3.980
472 HG12 VAL 57 2HG1 VAL 57 0.053 -8.684 5.438
473 HG13 VAL 57 3HG1 VAL 57 1.096 -8.856 4.027
474 HG21 VAL 57 3HG2 VAL 57 0.178 -6.442 6.831
475 HG22 VAL 57 1HG2 VAL 57 -0.218 -5.591 5.333
476 HG23 VAL 57 2HG2 VAL 57 1.230 -5.153 6.240
477 H LYS 58 H LYS 58 4.651 -7.047 4.539
478 HA LYS 58 HA LYS 58 5.244 -9.637 3.514
479 HB2 LYS 58 2HB LYS 58 4.663 -9.108 1.102
480 HB3 LYS 58 3HB LYS 58 3.291 -9.413 2.157
481 HG2 LYS 58 2HG LYS 58 2.904 -6.949 2.315
482 HG3 LYS 58 3HG LYS 58 4.235 -6.688 1.188
483 HD2 LYS 58 2HD LYS 58 1.776 -8.341 0.501
484 HD3 LYS 58 3HD LYS 58 1.880 -6.610 0.202
485 HE2 LYS 58 2HE LYS 58 2.360 -7.856 -1.838
486 HE3 LYS 58 3HE LYS 58 3.796 -6.991 -1.311
487 HZ1 LYS 58 3HZ LYS 58 3.299 -9.866 -0.807
488 HZ2 LYS 58 1HZ LYS 58 4.728 -9.022 -0.488
489 HZ3 LYS 58 2HZ LYS 58 4.225 -9.270 -2.084
490 HA PRO 59 HA PRO 59 8.808 -6.752 3.776
491 HB2 PRO 59 2HB PRO 59 10.784 -8.722 3.729
492 HB3 PRO 59 3HB PRO 59 9.893 -8.243 5.191
493 HG2 PRO 59 2HG PRO 59 9.379 -10.566 3.342
494 HG3 PRO 59 3HG PRO 59 9.389 -10.528 5.123
495 HD2 PRO 59 2HD PRO 59 7.069 -10.484 3.763
496 HD3 PRO 59 3HD PRO 59 7.264 -9.523 5.247
497 H ASN 60 H ASN 60 8.431 -9.307 1.345
498 HA ASN 60 HA ASN 60 10.554 -8.254 -0.399
499 HB2 ASN 60 2HB ASN 60 8.735 -10.690 -0.723
500 HB3 ASN 60 3HB ASN 60 10.118 -10.305 -1.742
501 HD21 ASN 60 1HD2 ASN 60 12.185 -10.739 -0.972
502 HD22 ASN 60 2HD2 ASN 60 12.483 -11.639 0.469
503 H ALA 61 H ALA 61 7.734 -7.022 0.123
504 HA ALA 61 HA ALA 61 6.069 -7.134 -2.084
505 HB1 ALA 61 3HB ALA 61 5.482 -6.039 0.044
506 HB2 ALA 61 1HB ALA 61 5.195 -4.959 -1.324
507 HB3 ALA 61 2HB ALA 61 6.619 -4.734 -0.301
508 H THR 62 H THR 62 6.632 -6.787 -4.196
509 HA THR 62 HA THR 62 8.675 -4.972 -5.061
510 HB THR 62 HB THR 62 6.401 -6.209 -6.713
511 HG1 THR 62 HG1 THR 62 7.954 -7.659 -5.532
512 HG21 THR 62 3HG2 THR 62 7.934 -5.866 -8.642
513 HG22 THR 62 1HG2 THR 62 9.086 -5.050 -7.581
514 HG23 THR 62 2HG2 THR 62 7.505 -4.329 -7.891
515 H ILE 63 H ILE 63 8.354 -2.872 -4.489
516 HA ILE 63 HA ILE 63 5.709 -1.602 -4.854
517 HB ILE 63 HB ILE 63 8.074 -0.787 -3.086
518 HG12 ILE 63 2HG1 ILE 63 5.331 -1.864 -2.253
519 HG13 ILE 63 3HG1 ILE 63 6.775 -2.861 -2.369
520 HG21 ILE 63 1HG2 ILE 63 6.576 0.940 -2.134
521 HG22 ILE 63 2HG2 ILE 63 5.314 0.496 -3.286
522 HG23 ILE 63 3HG2 ILE 63 6.828 1.202 -3.862
523 HD11 ILE 63 3HD1 ILE 63 6.353 -2.314 -0.086
524 HD12 ILE 63 1HD1 ILE 63 6.288 -0.595 -0.458
525 HD13 ILE 63 2HD1 ILE 63 7.814 -1.470 -0.596
526 H ARG 64 H ARG 64 5.518 -0.115 -6.401
527 HA ARG 64 HA ARG 64 7.894 0.779 -7.915
528 HB2 ARG 64 2HB ARG 64 4.961 0.923 -8.759
529 HB3 ARG 64 3HB ARG 64 6.357 1.305 -9.765
530 HG2 ARG 64 2HG ARG 64 5.568 -1.432 -8.713
531 HG3 ARG 64 3HG ARG 64 5.425 -0.860 -10.378
532 HD2 ARG 64 2HD ARG 64 8.001 -1.355 -8.837
533 HD3 ARG 64 3HD ARG 64 7.365 -2.332 -10.161
534 HE ARG 64 HE ARG 64 8.722 0.233 -10.347
535 HH11 ARG 64 1HH1 ARG 64 6.887 -2.208 -12.096
536 HH12 ARG 64 2HH1 ARG 64 7.408 -1.649 -13.646
537 HH21 ARG 64 1HH2 ARG 64 9.371 0.952 -12.384
538 HH22 ARG 64 2HH2 ARG 64 8.816 0.143 -13.811
539 H LYS 65 H LYS 65 8.604 2.643 -7.048
540 HA LYS 65 HA LYS 65 6.845 4.593 -5.815
541 HB2 LYS 65 2HB LYS 65 9.827 4.603 -6.437
542 HB3 LYS 65 3HB LYS 65 9.001 5.897 -5.571
543 HG2 LYS 65 2HG LYS 65 8.582 4.508 -3.685
544 HG3 LYS 65 3HG LYS 65 8.997 3.037 -4.577
545 HD2 LYS 65 2HD LYS 65 11.316 3.576 -4.599
546 HD3 LYS 65 3HD LYS 65 11.024 5.248 -4.122
547 HE2 LYS 65 2HE LYS 65 10.543 2.840 -2.341
548 HE3 LYS 65 3HE LYS 65 11.975 3.872 -2.287
549 HZ1 LYS 65 3HZ LYS 65 10.403 4.542 -0.634
550 HZ2 LYS 65 1HZ LYS 65 9.183 4.717 -1.789
551 HZ3 LYS 65 2HZ LYS 65 10.522 5.751 -1.811
552 H THR 66 H THR 66 5.539 5.424 -7.428
553 HA THR 66 HA THR 66 6.893 7.311 -9.237
554 HB THR 66 HB THR 66 6.087 5.375 -10.574
555 HG1 THR 66 HG1 THR 66 5.788 6.895 -11.986
556 HG21 THR 66 3HG2 THR 66 4.200 4.620 -9.166
557 HG22 THR 66 1HG2 THR 66 3.691 4.881 -10.835
558 HG23 THR 66 2HG2 THR 66 3.295 6.073 -9.595
559 H GLY 67 H GLY 67 4.619 8.636 -10.057
560 HA2 GLY 67 2HA GLY 67 2.570 9.357 -8.467
561 HA3 GLY 67 3HA GLY 67 3.934 10.168 -7.683
562 H GLY 68 H GLY 68 2.872 9.495 -10.989
563 HA2 GLY 68 2HA GLY 68 4.141 11.749 -12.163
564 HA3 GLY 68 3HA GLY 68 2.982 10.677 -12.932
565 H SER 69 H SER 69 3.294 13.450 -10.794
566 HA SER 69 HA SER 69 0.595 14.297 -10.816
567 HB2 SER 69 2HB SER 69 1.641 16.470 -9.958
568 HB3 SER 69 3HB SER 69 2.065 15.032 -9.031
569 HG SER 69 HG SER 69 4.008 15.788 -9.355
570 H LEU 70 H LEU 70 3.516 15.336 -12.616
571 HA LEU 70 HA LEU 70 3.884 16.161 -14.712
572 HB2 LEU 70 2HB LEU 70 1.275 14.721 -15.315
573 HB3 LEU 70 3HB LEU 70 2.465 15.210 -16.513
574 HG LEU 70 HG LEU 70 2.925 13.132 -14.331
575 HD11 LEU 70 1HD1 LEU 70 2.884 11.463 -16.129
576 HD12 LEU 70 2HD1 LEU 70 2.456 12.722 -17.292
577 HD13 LEU 70 3HD1 LEU 70 1.345 12.310 -15.983
578 HD21 LEU 70 3HD2 LEU 70 5.022 12.606 -15.513
579 HD22 LEU 70 1HD2 LEU 70 5.015 14.261 -14.908
580 HD23 LEU 70 2HD2 LEU 70 4.742 13.950 -16.625
581 H GLU 71 H GLU 71 2.708 17.972 -12.998
582 HA GLU 71 HA GLU 71 0.246 19.090 -13.937
583 HB2 GLU 71 2HB GLU 71 2.221 20.105 -11.845
584 HB3 GLU 71 3HB GLU 71 0.587 20.731 -12.088
585 HG2 GLU 71 2HG GLU 71 -0.389 18.618 -11.421
586 HG3 GLU 71 3HG GLU 71 1.190 17.845 -11.373
587 H HIS 72 H HIS 72 0.772 19.589 -16.095
588 HA HIS 72 HA HIS 72 2.285 22.067 -16.570
589 HB2 HIS 72 2HB HIS 72 0.832 20.117 -18.425
590 HB3 HIS 72 3HB HIS 72 1.457 21.667 -18.975
591 HD1 HIS 72 HD1 HIS 72 3.887 21.775 -19.591
592 HD2 HIS 72 HD2 HIS 72 2.937 18.277 -17.558
593 HE1 HIS 72 HE1 HIS 72 5.939 20.336 -19.735
594 HE2 HIS 72 HE2 HIS 72 5.357 18.247 -18.453
595 H HIS 73 H HIS 73 1.279 24.008 -16.765
596 HA HIS 73 HA HIS 73 -0.182 25.654 -16.287
597 HB2 HIS 73 2HB HIS 73 -2.357 23.729 -17.235
598 HB3 HIS 73 3HB HIS 73 -2.602 25.439 -16.907
599 HD1 HIS 73 HD1 HIS 73 -2.009 23.195 -19.609
600 HD2 HIS 73 HD2 HIS 73 -0.851 27.089 -18.734
601 HE1 HIS 73 HE1 HIS 73 -1.391 24.230 -21.811
602 HE2 HIS 73 HE2 HIS 73 -0.931 26.649 -21.275
603 H HIS 74 H HIS 74 0.419 25.468 -14.096
604 HA HIS 74 HA HIS 74 -1.415 24.053 -12.256
605 HB2 HIS 74 2HB HIS 74 0.311 24.538 -10.513
606 HB3 HIS 74 3HB HIS 74 0.960 23.617 -11.860
607 HD1 HIS 74 HD1 HIS 74 2.894 24.633 -13.134
608 HD2 HIS 74 HD2 HIS 74 1.247 27.275 -10.392
609 HE1 HIS 74 HE1 HIS 74 4.471 26.581 -13.049
610 HE2 HIS 74 HE2 HIS 74 3.364 28.233 -11.509
611 H HIS 75 H HIS 75 -1.398 25.558 -10.000
612 HA HIS 75 HA HIS 75 -3.232 27.666 -10.609
613 HB2 HIS 75 2HB HIS 75 -1.978 26.792 -7.981
614 HB3 HIS 75 3HB HIS 75 -3.124 28.125 -8.095
615 HD1 HIS 75 HD1 HIS 75 -4.653 26.689 -6.494
616 HD2 HIS 75 HD2 HIS 75 -4.051 25.039 -10.262
617 HE1 HIS 75 HE1 HIS 75 -6.422 24.931 -6.754
618 HE2 HIS 75 HE2 HIS 75 -6.018 23.922 -9.023
619 H HIS 76 H HIS 76 -2.353 29.243 -11.762
620 HA HIS 76 HA HIS 76 -0.554 31.153 -10.512
621 HB2 HIS 76 2HB HIS 76 1.036 29.604 -11.636
622 HB3 HIS 76 3HB HIS 76 0.166 29.780 -13.158
623 HD1 HIS 76 HD1 HIS 76 2.480 31.635 -10.840
624 HD2 HIS 76 HD2 HIS 76 0.834 32.085 -14.628
625 HE1 HIS 76 HE1 HIS 76 3.717 33.550 -11.892
626 HE2 HIS 76 HE2 HIS 76 2.796 33.709 -14.229
627 H HIS 77 H HIS 77 -1.248 33.166 -11.053
628 HA HIS 77 HA HIS 77 -3.135 33.507 -13.283
629 HB2 HIS 77 2HB HIS 77 -3.700 35.680 -12.299
630 HB3 HIS 77 3HB HIS 77 -3.836 34.416 -11.095
631 HD1 HIS 77 HD1 HIS 77 -2.172 34.483 -9.105
632 HD2 HIS 77 HD2 HIS 77 -1.787 37.670 -11.741
633 HE1 HIS 77 HE1 HIS 77 -0.813 36.209 -7.887
634 HE2 HIS 77 HE2 HIS 77 -0.746 38.196 -9.443
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