Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
23230 | 2juc RC | 15439 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 5 H ASP 5 -6.822 7.521 -9.780
2 HA ASP 5 HA ASP 5 -9.257 7.761 -8.399
3 HB2 ASP 5 2HB ASP 5 -10.778 8.160 -10.359
4 HB3 ASP 5 1HB ASP 5 -9.865 9.570 -9.847
5 H ILE 6 H ILE 6 -8.592 5.717 -7.977
6 HA ILE 6 HA ILE 6 -8.097 3.544 -8.218
7 HB ILE 6 HB ILE 6 -9.851 2.149 -9.154
8 HG12 ILE 6 2HG1 ILE 6 -11.265 4.739 -9.834
9 HG13 ILE 6 1HG1 ILE 6 -10.572 3.634 -11.017
10 HG21 ILE 6 1HG2 ILE 6 -11.591 2.854 -7.552
11 HG22 ILE 6 2HG2 ILE 6 -10.757 4.398 -7.369
12 HG23 ILE 6 3HG2 ILE 6 -9.964 2.904 -6.868
13 HD11 ILE 6 3HD1 ILE 6 -12.129 1.899 -10.317
14 HD12 ILE 6 1HD1 ILE 6 -12.981 3.356 -10.830
15 HD13 ILE 6 2HD1 ILE 6 -12.812 2.991 -9.112
16 H ASP 7 H ASP 7 -6.289 3.366 -9.226
17 HA ASP 7 HA ASP 7 -6.114 1.918 -11.483
18 HB2 ASP 7 2HB ASP 7 -6.617 3.773 -12.872
19 HB3 ASP 7 1HB ASP 7 -5.425 4.715 -11.983
20 H GLU 8 H GLU 8 -4.840 4.047 -10.050
21 HA GLU 8 HA GLU 8 -2.060 3.224 -9.901
22 HB2 GLU 8 2HB GLU 8 -1.626 5.231 -8.631
23 HB3 GLU 8 1HB GLU 8 -2.679 5.639 -9.976
24 HG2 GLU 8 2HG GLU 8 -3.519 5.272 -7.104
25 HG3 GLU 8 1HG GLU 8 -3.347 6.805 -7.958
26 H ARG 9 H ARG 9 -4.887 2.980 -7.980
27 HA ARG 9 HA ARG 9 -3.921 2.377 -5.462
28 HB2 ARG 9 2HB ARG 9 -6.048 1.251 -5.121
29 HB3 ARG 9 1HB ARG 9 -6.280 2.699 -6.079
30 HG2 ARG 9 2HG ARG 9 -6.402 1.348 -8.109
31 HG3 ARG 9 1HG ARG 9 -6.204 -0.106 -7.136
32 HD2 ARG 9 2HD ARG 9 -8.261 0.442 -5.922
33 HD3 ARG 9 1HD ARG 9 -8.471 1.871 -6.931
34 HE ARG 9 HE ARG 9 -8.431 0.038 -8.810
35 HH11 ARG 9 1HH1 ARG 9 -9.989 -0.084 -5.674
36 HH12 ARG 9 2HH1 ARG 9 -11.230 -1.190 -6.202
37 HH21 ARG 9 1HH2 ARG 9 -10.042 -1.416 -9.503
38 HH22 ARG 9 2HH2 ARG 9 -11.252 -1.965 -8.374
39 H ASN 10 H ASN 10 -4.513 0.154 -8.152
40 HA ASN 10 HA ASN 10 -3.847 -2.246 -6.794
41 HB2 ASN 10 2HB ASN 10 -3.780 -1.564 -9.758
42 HB3 ASN 10 1HB ASN 10 -3.540 -3.187 -9.117
43 HD21 ASN 10 1HD2 ASN 10 -5.812 -0.627 -9.647
44 HD22 ASN 10 2HD2 ASN 10 -7.236 -1.534 -9.277
45 H ILE 11 H ILE 11 -1.867 0.231 -8.133
46 HA ILE 11 HA ILE 11 0.529 -1.179 -8.370
47 HB ILE 11 HB ILE 11 0.124 1.667 -7.428
48 HG12 ILE 11 2HG1 ILE 11 -0.825 1.282 -9.646
49 HG13 ILE 11 1HG1 ILE 11 0.630 2.266 -9.771
50 HG21 ILE 11 1HG2 ILE 11 2.447 2.032 -8.123
51 HG22 ILE 11 2HG2 ILE 11 2.605 0.310 -8.478
52 HG23 ILE 11 3HG2 ILE 11 2.330 0.849 -6.820
53 HD11 ILE 11 3HD1 ILE 11 0.438 -0.684 -10.341
54 HD12 ILE 11 1HD1 ILE 11 1.896 0.299 -10.467
55 HD13 ILE 11 2HD1 ILE 11 0.528 0.608 -11.540
56 H PHE 12 H PHE 12 -1.090 0.234 -5.504
57 HA PHE 12 HA PHE 12 1.212 -0.236 -3.860
58 HB2 PHE 12 2HB PHE 12 -1.493 0.869 -3.462
59 HB3 PHE 12 1HB PHE 12 -0.719 0.172 -2.036
60 HD1 PHE 12 1HD PHE 12 0.194 2.372 -4.924
61 HD2 PHE 12 2HD PHE 12 0.489 1.648 -0.740
62 HE1 PHE 12 1HE PHE 12 1.480 4.443 -4.657
63 HE2 PHE 12 2HE PHE 12 1.784 3.723 -0.473
64 HZ PHE 12 HZ PHE 12 2.273 5.124 -2.436
65 H PHE 13 H PHE 13 -2.061 -1.758 -3.736
66 HA PHE 13 HA PHE 13 -1.955 -4.283 -2.351
67 HB2 PHE 13 2HB PHE 13 -2.309 -4.264 -5.024
68 HB3 PHE 13 1HB PHE 13 -3.231 -4.895 -3.905
69 HD1 PHE 13 2HD PHE 13 -3.298 -1.726 -2.823
70 HD2 PHE 13 1HD PHE 13 -4.664 -4.086 -6.090
71 HE1 PHE 13 2HE PHE 13 -5.233 -0.222 -3.127
72 HE2 PHE 13 1HE PHE 13 -6.608 -2.621 -6.356
73 HZ PHE 13 HZ PHE 13 -6.902 -0.685 -4.880
74 H GLU 14 H GLU 14 -0.502 -3.472 -5.609
75 HA GLU 14 HA GLU 14 0.689 -6.008 -5.998
76 HB2 GLU 14 2HB GLU 14 0.243 -4.196 -7.737
77 HB3 GLU 14 1HB GLU 14 1.683 -3.399 -7.146
78 HG2 GLU 14 2HG GLU 14 2.171 -4.667 -9.140
79 HG3 GLU 14 1HG GLU 14 3.025 -5.336 -7.751
80 H LEU 15 H LEU 15 2.081 -2.893 -5.054
81 HA LEU 15 HA LEU 15 4.599 -3.799 -4.195
82 HB2 LEU 15 2HB LEU 15 3.165 -1.697 -2.624
83 HB3 LEU 15 1HB LEU 15 4.846 -1.769 -3.082
84 HG LEU 15 HG LEU 15 2.570 -1.124 -4.919
85 HD11 LEU 15 1HD1 LEU 15 4.653 0.651 -3.675
86 HD12 LEU 15 2HD1 LEU 15 2.932 0.630 -3.296
87 HD13 LEU 15 3HD1 LEU 15 3.479 1.146 -4.892
88 HD21 LEU 15 3HD2 LEU 15 5.550 -1.050 -5.381
89 HD22 LEU 15 1HD2 LEU 15 4.316 -0.499 -6.515
90 HD23 LEU 15 2HD2 LEU 15 4.419 -2.206 -6.084
91 H PHE 16 H PHE 16 1.368 -4.003 -2.809
92 HA PHE 16 HA PHE 16 2.265 -4.182 -0.142
93 HB2 PHE 16 2HB PHE 16 -0.137 -4.160 -1.778
94 HB3 PHE 16 1HB PHE 16 -0.295 -4.733 -0.160
95 HD1 PHE 16 1HD PHE 16 1.995 -2.303 0.273
96 HD2 PHE 16 2HD PHE 16 -2.168 -2.664 -0.893
97 HE1 PHE 16 1HE PHE 16 1.536 -0.029 1.078
98 HE2 PHE 16 2HE PHE 16 -2.540 -0.414 -0.064
99 HZ PHE 16 HZ PHE 16 -0.737 0.884 0.903
100 H ASP 17 H ASP 17 1.319 -6.290 -2.716
101 HA ASP 17 HA ASP 17 1.533 -8.714 -1.182
102 HB2 ASP 17 2HB ASP 17 0.161 -8.310 -3.338
103 HB3 ASP 17 1HB ASP 17 1.685 -8.545 -4.176
104 H ARG 18 H ARG 18 3.504 -6.884 -3.392
105 HA ARG 18 HA ARG 18 5.665 -8.526 -3.829
106 HB2 ARG 18 2HB ARG 18 5.551 -6.384 -4.885
107 HB3 ARG 18 1HB ARG 18 5.558 -5.553 -3.343
108 HG2 ARG 18 2HG ARG 18 7.859 -6.229 -2.966
109 HG3 ARG 18 1HG ARG 18 7.860 -7.114 -4.491
110 HD2 ARG 18 2HD ARG 18 7.670 -5.136 -5.754
111 HD3 ARG 18 1HD ARG 18 7.223 -4.185 -4.343
112 HE ARG 18 HE ARG 18 9.851 -5.337 -4.158
113 HH11 ARG 18 1HH1 ARG 18 8.007 -2.681 -5.470
114 HH12 ARG 18 2HH1 ARG 18 9.307 -1.537 -5.341
115 HH21 ARG 18 1HH2 ARG 18 11.600 -3.863 -4.055
116 HH22 ARG 18 2HH2 ARG 18 11.371 -2.223 -4.599
117 H TYR 19 H TYR 19 4.880 -6.717 -0.934
118 HA TYR 19 HA TYR 19 7.225 -7.906 0.388
119 HB2 TYR 19 2HB TYR 19 5.776 -5.313 0.844
120 HB3 TYR 19 1HB TYR 19 6.706 -6.054 2.145
121 HD1 TYR 19 2HD TYR 19 9.148 -6.698 1.576
122 HD2 TYR 19 1HD TYR 19 6.885 -3.884 -0.688
123 HE1 TYR 19 2HE TYR 19 11.227 -5.743 0.689
124 HE2 TYR 19 1HE TYR 19 8.960 -2.932 -1.578
125 HH TYR 19 HH TYR 19 11.394 -2.792 -0.787
126 H LYS 20 H LYS 20 4.337 -8.748 -0.178
127 HA LYS 20 HA LYS 20 2.508 -9.654 0.852
128 HB2 LYS 20 2HB LYS 20 4.795 -10.992 2.233
129 HB3 LYS 20 1HB LYS 20 3.142 -11.558 2.344
130 HG2 LYS 20 2HG LYS 20 3.903 -12.904 0.673
131 HG3 LYS 20 1HG LYS 20 3.310 -11.547 -0.282
132 HD2 LYS 20 2HD LYS 20 5.671 -10.629 -0.177
133 HD3 LYS 20 1HD LYS 20 6.152 -12.204 0.458
134 HE2 LYS 20 2HE LYS 20 4.890 -11.613 -2.214
135 HE3 LYS 20 1HE LYS 20 6.528 -12.185 -1.912
136 HZ1 LYS 20 3HZ LYS 20 5.138 -13.992 -2.640
137 HZ2 LYS 20 1HZ LYS 20 4.016 -13.694 -1.404
138 HZ3 LYS 20 2HZ LYS 20 5.570 -14.248 -1.020
139 H LEU 21 H LEU 21 1.850 -7.665 1.848
140 HA LEU 21 HA LEU 21 2.475 -7.205 4.623
141 HB2 LEU 21 2HB LEU 21 0.468 -6.117 2.655
142 HB3 LEU 21 1HB LEU 21 0.587 -5.492 4.278
143 HG LEU 21 HG LEU 21 2.501 -5.329 2.041
144 HD11 LEU 21 1HD1 LEU 21 1.299 -3.244 3.804
145 HD12 LEU 21 2HD1 LEU 21 0.861 -3.592 2.132
146 HD13 LEU 21 3HD1 LEU 21 2.455 -2.939 2.508
147 HD21 LEU 21 3HD2 LEU 21 3.857 -6.028 3.908
148 HD22 LEU 21 1HD2 LEU 21 3.163 -4.749 4.904
149 HD23 LEU 21 2HD2 LEU 21 4.180 -4.338 3.523
150 H ASP 22 H ASP 22 0.391 -6.829 6.003
151 HA ASP 22 HA ASP 22 -1.677 -8.832 5.394
152 HB2 ASP 22 2HB ASP 22 -0.414 -9.013 7.664
153 HB3 ASP 22 1HB ASP 22 -1.345 -7.593 8.115
154 H LYS 23 H LYS 23 -3.198 -7.912 4.422
155 HA LYS 23 HA LYS 23 -3.446 -5.044 4.264
156 HB2 LYS 23 2HB LYS 23 -5.173 -7.178 3.043
157 HB3 LYS 23 1HB LYS 23 -5.043 -5.481 2.554
158 HG2 LYS 23 2HG LYS 23 -3.251 -5.996 1.263
159 HG3 LYS 23 1HG LYS 23 -2.471 -6.466 2.757
160 HD2 LYS 23 2HD LYS 23 -4.190 -8.582 2.117
161 HD3 LYS 23 1HD LYS 23 -3.251 -8.163 0.669
162 HE2 LYS 23 2HE LYS 23 -2.328 -9.095 3.322
163 HE3 LYS 23 1HE LYS 23 -1.721 -9.482 1.714
164 HZ1 LYS 23 3HZ LYS 23 -0.087 -8.140 2.631
165 HZ2 LYS 23 1HZ LYS 23 -1.165 -7.005 3.366
166 HZ3 LYS 23 2HZ LYS 23 -0.956 -7.079 1.653
167 H PHE 24 H PHE 24 -4.485 -7.230 6.493
168 HA PHE 24 HA PHE 24 -6.998 -5.825 7.107
169 HB2 PHE 24 2HB PHE 24 -6.181 -8.641 7.863
170 HB3 PHE 24 1HB PHE 24 -7.700 -7.866 8.289
171 HD1 PHE 24 1HD PHE 24 -5.742 -9.365 5.581
172 HD2 PHE 24 2HD PHE 24 -9.480 -7.663 6.694
173 HE1 PHE 24 1HE PHE 24 -6.753 -10.256 3.525
174 HE2 PHE 24 2HE PHE 24 -10.499 -8.551 4.637
175 HZ PHE 24 HZ PHE 24 -9.134 -9.851 3.052
176 H SER 25 H SER 25 -4.152 -7.417 8.503
177 HA SER 25 HA SER 25 -4.580 -7.134 11.182
178 HB2 SER 25 2HB SER 25 -2.677 -8.354 10.215
179 HB3 SER 25 1HB SER 25 -1.919 -6.836 9.753
180 HG SER 25 HG SER 25 -2.059 -8.078 12.208
181 H THR 26 H THR 26 -2.191 -4.937 9.706
182 HA THR 26 HA THR 26 -3.630 -2.624 10.894
183 HB THR 26 HB THR 26 -1.022 -1.862 11.117
184 HG1 THR 26 1HG THR 26 -1.195 -4.566 12.076
185 HG21 THR 26 3HG2 THR 26 -1.331 -2.107 13.547
186 HG22 THR 26 1HG2 THR 26 -2.713 -3.169 13.273
187 HG23 THR 26 2HG2 THR 26 -2.787 -1.479 12.776
188 H TRP 27 H TRP 27 -3.159 -0.770 9.985
189 HA TRP 27 HA TRP 27 -2.733 -1.017 7.159
190 HB2 TRP 27 2HB TRP 27 -4.019 0.861 7.643
191 HB3 TRP 27 1HB TRP 27 -3.073 1.263 9.072
192 HD1 TRP 27 HD TRP 27 -2.022 3.582 8.550
193 HE1 TRP 27 1HE TRP 27 -0.829 4.747 6.731
194 HE3 TRP 27 3HE TRP 27 -2.504 -0.048 5.138
195 HZ2 TRP 27 2HZ TRP 27 -0.282 4.284 4.099
196 HZ3 TRP 27 3HZ TRP 27 -1.715 0.498 2.873
197 HH2 TRP 27 HH TRP 27 -0.775 2.684 2.487
198 H SER 28 H SER 28 -0.921 0.427 9.830
199 HA SER 28 HA SER 28 1.179 0.832 7.993
200 HB2 SER 28 2HB SER 28 2.433 1.564 9.848
201 HB3 SER 28 1HB SER 28 1.222 2.601 9.182
202 HG SER 28 HG SER 28 1.463 2.015 11.712
203 H LEU 29 H LEU 29 0.821 -1.492 10.619
204 HA LEU 29 HA LEU 29 3.516 -2.096 10.910
205 HB2 LEU 29 2HB LEU 29 1.381 -3.307 11.898
206 HB3 LEU 29 1HB LEU 29 1.556 -4.335 10.493
207 HG LEU 29 HG LEU 29 3.860 -4.901 11.219
208 HD11 LEU 29 1HD1 LEU 29 4.543 -4.355 13.504
209 HD12 LEU 29 2HD1 LEU 29 3.096 -3.366 13.701
210 HD13 LEU 29 3HD1 LEU 29 4.328 -2.901 12.530
211 HD21 LEU 29 3HD2 LEU 29 1.679 -5.452 13.229
212 HD22 LEU 29 1HD2 LEU 29 3.177 -6.367 13.057
213 HD23 LEU 29 2HD2 LEU 29 1.989 -6.367 11.755
214 H GLN 30 H GLN 30 1.318 -2.488 8.383
215 HA GLN 30 HA GLN 30 3.188 -3.925 6.686
216 HB2 GLN 30 2HB GLN 30 0.349 -3.096 5.895
217 HB3 GLN 30 1HB GLN 30 1.478 -4.031 4.982
218 HG2 GLN 30 2HG GLN 30 -0.436 -5.102 6.325
219 HG3 GLN 30 1HG GLN 30 1.065 -5.904 6.126
220 HE21 GLN 30 1HE2 GLN 30 -0.999 -4.326 8.393
221 HE22 GLN 30 2HE2 GLN 30 -0.160 -4.862 9.816
222 H SER 31 H SER 31 1.631 -0.705 6.856
223 HA SER 31 HA SER 31 3.102 0.240 4.655
224 HB2 SER 31 2HB SER 31 2.154 2.447 5.025
225 HB3 SER 31 1HB SER 31 0.977 1.172 4.777
226 HG SER 31 HG SER 31 0.364 2.409 6.537
227 H LYS 32 H LYS 32 3.498 0.959 8.067
228 HA LYS 32 HA LYS 32 5.679 2.726 7.650
229 HB2 LYS 32 2HB LYS 32 6.244 2.395 9.983
230 HB3 LYS 32 1HB LYS 32 4.505 2.561 9.830
231 HG2 LYS 32 2HG LYS 32 4.312 0.090 9.992
232 HG3 LYS 32 1HG LYS 32 6.043 0.011 10.304
233 HD2 LYS 32 2HD LYS 32 3.977 1.445 11.972
234 HD3 LYS 32 1HD LYS 32 4.810 -0.051 12.394
235 HE2 LYS 32 2HE LYS 32 6.207 2.575 11.908
236 HE3 LYS 32 1HE LYS 32 5.707 2.011 13.500
237 HZ1 LYS 32 3HZ LYS 32 7.594 0.587 11.695
238 HZ2 LYS 32 1HZ LYS 32 7.130 0.093 13.251
239 HZ3 LYS 32 2HZ LYS 32 8.031 1.516 13.046
240 H LYS 33 H LYS 33 5.204 -0.394 6.923
241 HA LYS 33 HA LYS 33 7.974 -1.297 7.311
242 HB2 LYS 33 2HB LYS 33 6.293 -2.918 7.921
243 HB3 LYS 33 1HB LYS 33 5.478 -2.724 6.378
244 HG2 LYS 33 2HG LYS 33 7.455 -3.676 5.257
245 HG3 LYS 33 1HG LYS 33 8.183 -3.963 6.839
246 HD2 LYS 33 2HD LYS 33 5.581 -5.120 5.838
247 HD3 LYS 33 1HD LYS 33 7.115 -5.983 5.961
248 HE2 LYS 33 2HE LYS 33 5.666 -4.743 8.294
249 HE3 LYS 33 1HE LYS 33 5.529 -6.437 7.829
250 HZ1 LYS 33 3HZ LYS 33 8.056 -5.078 8.610
251 HZ2 LYS 33 1HZ LYS 33 7.878 -6.721 8.219
252 HZ3 LYS 33 2HZ LYS 33 7.137 -6.091 9.609
253 H ILE 34 H ILE 34 5.584 -0.672 4.773
254 HA ILE 34 HA ILE 34 7.557 -1.014 2.673
255 HB ILE 34 HB ILE 34 5.858 -0.670 1.110
256 HG12 ILE 34 2HG1 ILE 34 3.726 0.339 3.007
257 HG13 ILE 34 1HG1 ILE 34 5.005 1.432 2.509
258 HG21 ILE 34 1HG2 ILE 34 3.996 -2.096 1.808
259 HG22 ILE 34 2HG2 ILE 34 4.548 -1.973 3.480
260 HG23 ILE 34 3HG2 ILE 34 5.568 -2.754 2.269
261 HD11 ILE 34 3HD1 ILE 34 4.482 1.007 0.167
262 HD12 ILE 34 1HD1 ILE 34 3.052 1.554 1.042
263 HD13 ILE 34 2HD1 ILE 34 3.247 -0.156 0.651
264 H GLU 35 H GLU 35 6.867 1.229 4.859
265 HA GLU 35 HA GLU 35 6.539 3.702 3.877
266 HB2 GLU 35 2HB GLU 35 6.883 2.917 6.271
267 HB3 GLU 35 1HB GLU 35 8.604 3.130 5.982
268 HG2 GLU 35 2HG GLU 35 7.470 5.494 5.117
269 HG3 GLU 35 1HG GLU 35 6.571 5.058 6.553
270 H ASN 36 H ASN 36 9.753 3.033 4.954
271 HA ASN 36 HA ASN 36 11.154 4.881 3.532
272 HB2 ASN 36 2HB ASN 36 12.166 3.657 5.332
273 HB3 ASN 36 1HB ASN 36 12.053 2.145 4.440
274 HD21 ASN 36 1HD2 ASN 36 13.594 1.626 2.982
275 HD22 ASN 36 2HD2 ASN 36 15.017 2.575 2.705
276 H ASP 37 H ASP 37 9.941 1.876 2.242
277 HA ASP 37 HA ASP 37 11.566 1.710 -0.059
278 HB2 ASP 37 2HB ASP 37 8.745 0.750 0.458
279 HB3 ASP 37 1HB ASP 37 9.630 0.377 -1.018
280 HA PRO 38 HA PRO 38 10.306 5.315 -2.313
281 HB2 PRO 38 2HB PRO 38 10.902 3.630 -4.683
282 HB3 PRO 38 1HB PRO 38 11.530 5.222 -4.247
283 HG2 PRO 38 2HG PRO 38 13.039 3.037 -4.003
284 HG3 PRO 38 1HG PRO 38 13.122 4.351 -2.815
285 HD2 PRO 38 2HD PRO 38 11.795 1.683 -2.609
286 HD3 PRO 38 1HD PRO 38 12.649 2.624 -1.367
287 H ASP 39 H ASP 39 8.872 2.245 -2.534
288 HA ASP 39 HA ASP 39 6.974 2.905 -4.575
289 HB2 ASP 39 2HB ASP 39 7.367 0.511 -2.805
290 HB3 ASP 39 1HB ASP 39 5.980 0.656 -3.885
291 H PHE 40 H PHE 40 6.995 2.905 -1.041
292 HA PHE 40 HA PHE 40 4.231 3.350 -0.624
293 HB2 PHE 40 2HB PHE 40 6.210 3.039 1.050
294 HB3 PHE 40 1HB PHE 40 6.381 4.776 0.917
295 HD1 PHE 40 1HD PHE 40 3.031 3.043 1.059
296 HD2 PHE 40 2HD PHE 40 6.019 5.247 3.158
297 HE1 PHE 40 1HE PHE 40 1.561 3.221 2.957
298 HE2 PHE 40 2HE PHE 40 4.504 5.422 5.076
299 HZ PHE 40 HZ PHE 40 2.300 4.352 4.963
300 H TYR 41 H TYR 41 6.799 5.287 -1.871
301 HA TYR 41 HA TYR 41 5.255 7.749 -1.729
302 HB2 TYR 41 2HB TYR 41 8.068 7.273 -2.734
303 HB3 TYR 41 1HB TYR 41 7.303 8.842 -2.513
304 HD1 TYR 41 2HD TYR 41 6.127 8.861 0.052
305 HD2 TYR 41 1HD TYR 41 9.698 6.887 -1.153
306 HE1 TYR 41 2HE TYR 41 6.946 8.933 2.371
307 HE2 TYR 41 1HE TYR 41 10.523 6.948 1.160
308 HH TYR 41 HH TYR 41 8.524 7.799 3.810
309 H LYS 42 H LYS 42 5.039 5.236 -3.707
310 HA LYS 42 HA LYS 42 5.157 6.294 -6.311
311 HB2 LYS 42 2HB LYS 42 3.455 4.171 -5.026
312 HB3 LYS 42 1HB LYS 42 3.125 4.670 -6.676
313 HG2 LYS 42 2HG LYS 42 5.748 3.573 -5.684
314 HG3 LYS 42 1HG LYS 42 4.518 2.654 -6.551
315 HD2 LYS 42 2HD LYS 42 4.756 4.328 -8.420
316 HD3 LYS 42 1HD LYS 42 6.161 4.965 -7.565
317 HE2 LYS 42 2HE LYS 42 5.816 2.144 -8.579
318 HE3 LYS 42 1HE LYS 42 6.834 3.388 -9.300
319 HZ1 LYS 42 3HZ LYS 42 7.221 1.930 -6.755
320 HZ2 LYS 42 1HZ LYS 42 7.986 3.424 -7.035
321 HZ3 LYS 42 2HZ LYS 42 8.292 2.110 -8.056
322 H ILE 43 H ILE 43 2.734 6.453 -3.796
323 HA ILE 43 HA ILE 43 1.399 8.622 -5.266
324 HB ILE 43 HB ILE 43 0.224 6.756 -3.193
325 HG12 ILE 43 2HG1 ILE 43 0.454 5.698 -5.375
326 HG13 ILE 43 1HG1 ILE 43 -1.236 6.028 -5.027
327 HG21 ILE 43 1HG2 ILE 43 -1.901 7.905 -3.616
328 HG22 ILE 43 2HG2 ILE 43 -1.065 9.047 -4.667
329 HG23 ILE 43 3HG2 ILE 43 -0.687 8.996 -2.946
330 HD11 ILE 43 3HD1 ILE 43 -1.165 7.986 -6.475
331 HD12 ILE 43 1HD1 ILE 43 -0.705 6.521 -7.342
332 HD13 ILE 43 2HD1 ILE 43 0.534 7.664 -6.821
333 H ARG 44 H ARG 44 1.395 10.565 -4.307
334 HA ARG 44 HA ARG 44 2.990 10.840 -1.907
335 HB2 ARG 44 2HB ARG 44 3.244 13.084 -2.436
336 HB3 ARG 44 1HB ARG 44 3.096 12.341 -4.016
337 HG2 ARG 44 2HG ARG 44 0.936 13.828 -2.533
338 HG3 ARG 44 1HG ARG 44 1.858 14.419 -3.913
339 HD2 ARG 44 2HD ARG 44 -0.088 12.118 -3.880
340 HD3 ARG 44 1HD ARG 44 -0.328 13.694 -4.627
341 HE ARG 44 HE ARG 44 1.894 12.755 -5.872
342 HH11 ARG 44 1HH1 ARG 44 -1.317 11.431 -5.303
343 HH12 ARG 44 2HH1 ARG 44 -1.317 10.511 -6.786
344 HH21 ARG 44 1HH2 ARG 44 1.878 11.537 -7.799
345 HH22 ARG 44 2HH2 ARG 44 0.493 10.553 -8.191
346 H ASP 45 H ASP 45 -0.220 10.418 -2.611
347 HA ASP 45 HA ASP 45 -1.241 11.860 -0.298
348 HB2 ASP 45 2HB ASP 45 -2.754 9.983 -2.127
349 HB3 ASP 45 1HB ASP 45 -3.429 11.179 -1.027
350 H ASP 46 H ASP 46 -0.593 10.864 1.527
351 HA ASP 46 HA ASP 46 -0.405 8.045 1.845
352 HB2 ASP 46 2HB ASP 46 0.769 9.736 3.290
353 HB3 ASP 46 1HB ASP 46 -0.785 10.112 4.028
354 H THR 47 H THR 47 -2.959 10.368 2.193
355 HA THR 47 HA THR 47 -4.812 8.838 3.661
356 HB THR 47 HB THR 47 -5.620 10.853 1.577
357 HG1 THR 47 1HG THR 47 -5.188 12.455 3.264
358 HG21 THR 47 3HG2 THR 47 -6.631 10.236 4.358
359 HG22 THR 47 1HG2 THR 47 -7.394 9.746 2.844
360 HG23 THR 47 2HG2 THR 47 -7.294 11.455 3.269
361 H VAL 48 H VAL 48 -3.680 8.491 0.469
362 HA VAL 48 HA VAL 48 -6.042 6.952 -0.345
363 HB VAL 48 HB VAL 48 -3.646 7.833 -1.977
364 HG11 VAL 48 1HG1 VAL 48 -4.905 7.043 -3.923
365 HG12 VAL 48 2HG1 VAL 48 -6.164 6.423 -2.855
366 HG13 VAL 48 3HG1 VAL 48 -4.546 5.724 -2.806
367 HG21 VAL 48 3HG2 VAL 48 -6.502 8.806 -1.976
368 HG22 VAL 48 1HG2 VAL 48 -5.237 9.330 -3.088
369 HG23 VAL 48 2HG2 VAL 48 -5.099 9.685 -1.367
370 H ARG 49 H ARG 49 -2.662 6.709 0.441
371 HA ARG 49 HA ARG 49 -1.964 4.211 -0.577
372 HB2 ARG 49 2HB ARG 49 -1.130 5.431 2.067
373 HB3 ARG 49 1HB ARG 49 -0.304 4.121 1.251
374 HG2 ARG 49 2HG ARG 49 0.264 5.605 -0.584
375 HG3 ARG 49 1HG ARG 49 -0.603 6.906 0.228
376 HD2 ARG 49 2HD ARG 49 0.908 6.678 2.159
377 HD3 ARG 49 1HD ARG 49 1.802 5.444 1.278
378 HE ARG 49 HE ARG 49 2.034 7.427 -0.426
379 HH11 ARG 49 1HH1 ARG 49 2.160 7.584 3.072
380 HH12 ARG 49 2HH1 ARG 49 3.357 8.850 3.093
381 HH21 ARG 49 1HH2 ARG 49 3.596 9.099 -0.392
382 HH22 ARG 49 2HH2 ARG 49 4.173 9.712 1.133
383 H GLU 50 H GLU 50 -3.462 4.938 2.596
384 HA GLU 50 HA GLU 50 -3.380 2.117 3.111
385 HB2 GLU 50 2HB GLU 50 -4.880 3.136 5.094
386 HB3 GLU 50 1HB GLU 50 -3.262 2.715 5.178
387 HG2 GLU 50 2HG GLU 50 -3.638 4.714 6.137
388 HG3 GLU 50 1HG GLU 50 -2.592 4.941 4.862
389 H SER 51 H SER 51 -5.766 4.401 2.093
390 HA SER 51 HA SER 51 -7.966 2.674 2.215
391 HB2 SER 51 2HB SER 51 -7.295 4.693 0.059
392 HB3 SER 51 1HB SER 51 -8.888 3.991 0.348
393 HG SER 51 HG SER 51 -8.103 4.923 2.659
394 H LEU 52 H LEU 52 -5.039 2.232 0.590
395 HA LEU 52 HA LEU 52 -6.030 1.002 -1.702
396 HB2 LEU 52 2HB LEU 52 -3.464 1.706 -0.652
397 HB3 LEU 52 1HB LEU 52 -3.408 0.294 -1.588
398 HG LEU 52 HG LEU 52 -3.665 1.420 -3.576
399 HD11 LEU 52 1HD1 LEU 52 -5.412 3.428 -2.152
400 HD12 LEU 52 2HD1 LEU 52 -5.979 2.055 -3.102
401 HD13 LEU 52 3HD1 LEU 52 -5.104 3.370 -3.887
402 HD21 LEU 52 3HD2 LEU 52 -1.815 2.569 -2.473
403 HD22 LEU 52 1HD2 LEU 52 -2.947 3.728 -1.775
404 HD23 LEU 52 2HD2 LEU 52 -2.714 3.665 -3.522
405 H PHE 53 H PHE 53 -4.312 0.166 0.683
406 HA PHE 53 HA PHE 53 -3.813 -2.397 0.750
407 HB2 PHE 53 2HB PHE 53 -2.989 -0.795 2.058
408 HB3 PHE 53 1HB PHE 53 -4.584 0.057 2.016
409 HD1 PHE 53 1HD PHE 53 -2.541 -2.625 3.532
410 HD2 PHE 53 2HD PHE 53 -6.003 -0.241 3.947
411 HE1 PHE 53 1HE PHE 53 -2.803 -3.449 5.854
412 HE2 PHE 53 2HE PHE 53 -6.305 -1.039 6.270
413 HZ PHE 53 HZ PHE 53 -4.694 -2.649 7.224
414 H GLU 54 H GLU 54 -6.760 -0.697 1.860
415 HA GLU 54 HA GLU 54 -8.064 -2.968 2.967
416 HB2 GLU 54 2HB GLU 54 -9.819 -0.806 2.035
417 HB3 GLU 54 1HB GLU 54 -9.690 -1.545 3.624
418 HG2 GLU 54 2HG GLU 54 -7.690 -0.203 4.061
419 HG3 GLU 54 1HG GLU 54 -7.889 0.556 2.476
420 H GLU 55 H GLU 55 -8.223 -1.343 -0.175
421 HA GLU 55 HA GLU 55 -10.386 -3.005 -1.059
422 HB2 GLU 55 2HB GLU 55 -8.362 -1.537 -2.769
423 HB3 GLU 55 1HB GLU 55 -9.898 -2.190 -3.316
424 HG2 GLU 55 2HG GLU 55 -10.944 -0.592 -1.612
425 HG3 GLU 55 1HG GLU 55 -9.373 0.203 -1.605
426 H TRP 56 H TRP 56 -6.898 -3.020 -1.619
427 HA TRP 56 HA TRP 56 -6.750 -5.224 -3.277
428 HB2 TRP 56 2HB TRP 56 -4.903 -3.876 -3.108
429 HB3 TRP 56 1HB TRP 56 -4.873 -4.037 -1.375
430 HD1 TRP 56 HD TRP 56 -4.188 -6.495 -4.167
431 HE1 TRP 56 1HE TRP 56 -2.427 -8.156 -3.348
432 HE3 TRP 56 3HE TRP 56 -3.536 -4.127 -0.507
433 HZ2 TRP 56 2HZ TRP 56 -0.752 -8.132 -1.105
434 HZ3 TRP 56 3HZ TRP 56 -1.796 -4.546 0.566
435 HH2 TRP 56 HH TRP 56 -0.400 -6.506 0.695
436 H CYS 57 H CYS 57 -7.187 -4.971 0.027
437 HA CYS 57 HA CYS 57 -6.145 -7.344 1.079
438 HB2 CYS 57 2HB CYS 57 -7.157 -6.782 3.059
439 HB3 CYS 57 1HB CYS 57 -7.228 -5.220 2.257
440 HG CYS 57 HG CYS 57 -9.838 -5.071 1.958
441 H GLY 58 H GLY 58 -9.327 -6.521 -0.250
442 HA2 GLY 58 2HA GLY 58 -9.836 -9.406 -0.656
443 HA3 GLY 58 1HA GLY 58 -11.098 -8.364 0.002
444 H GLU 59 H GLU 59 -8.691 -7.714 -2.434
445 HA GLU 59 HA GLU 59 -10.715 -6.472 -4.094
446 HB2 GLU 59 2HB GLU 59 -8.164 -5.769 -3.367
447 HB3 GLU 59 1HB GLU 59 -7.886 -6.516 -4.966
448 HG2 GLU 59 2HG GLU 59 -9.610 -4.135 -4.317
449 HG3 GLU 59 1HG GLU 59 -8.164 -4.185 -5.318
Start of MODEL 2
1 H1 ASP 5 H ASP 5 -6.105 7.000 -11.824
2 HA ASP 5 HA ASP 5 -8.054 6.988 -9.707
3 HB2 ASP 5 2HB ASP 5 -8.980 8.838 -10.948
4 HB3 ASP 5 1HB ASP 5 -8.829 7.960 -12.465
5 H ILE 6 H ILE 6 -8.344 4.956 -9.381
6 HA ILE 6 HA ILE 6 -7.902 2.744 -9.524
7 HB ILE 6 HB ILE 6 -9.267 1.479 -11.136
8 HG12 ILE 6 2HG1 ILE 6 -10.272 4.177 -12.074
9 HG13 ILE 6 1HG1 ILE 6 -9.282 3.073 -13.024
10 HG21 ILE 6 1HG2 ILE 6 -10.159 2.083 -8.981
11 HG22 ILE 6 2HG2 ILE 6 -11.441 2.144 -10.190
12 HG23 ILE 6 3HG2 ILE 6 -10.705 3.637 -9.608
13 HD11 ILE 6 3HD1 ILE 6 -11.066 1.422 -12.980
14 HD12 ILE 6 1HD1 ILE 6 -11.626 2.950 -13.657
15 HD13 ILE 6 2HD1 ILE 6 -12.056 2.507 -12.006
16 H ASP 7 H ASP 7 -5.902 2.574 -9.861
17 HA ASP 7 HA ASP 7 -4.578 1.521 -11.780
18 HB2 ASP 7 2HB ASP 7 -3.550 2.999 -13.360
19 HB3 ASP 7 1HB ASP 7 -5.289 3.240 -13.422
20 H GLU 8 H GLU 8 -4.615 3.762 -10.009
21 HA GLU 8 HA GLU 8 -1.901 4.060 -9.108
22 HB2 GLU 8 2HB GLU 8 -2.636 5.859 -7.792
23 HB3 GLU 8 1HB GLU 8 -3.704 5.902 -9.181
24 HG2 GLU 8 2HG GLU 8 -4.432 4.646 -6.542
25 HG3 GLU 8 1HG GLU 8 -4.798 6.313 -6.972
26 H ARG 9 H ARG 9 -4.822 2.579 -7.981
27 HA ARG 9 HA ARG 9 -3.963 2.139 -5.309
28 HB2 ARG 9 2HB ARG 9 -6.147 1.177 -5.041
29 HB3 ARG 9 1HB ARG 9 -6.296 2.540 -6.102
30 HG2 ARG 9 2HG ARG 9 -6.235 0.876 -8.001
31 HG3 ARG 9 1HG ARG 9 -6.486 -0.365 -6.766
32 HD2 ARG 9 2HD ARG 9 -8.597 0.358 -7.747
33 HD3 ARG 9 1HD ARG 9 -8.507 0.815 -6.038
34 HE ARG 9 HE ARG 9 -7.712 2.716 -8.111
35 HH11 ARG 9 1HH1 ARG 9 -9.855 1.780 -5.486
36 HH12 ARG 9 2HH1 ARG 9 -10.539 3.376 -5.307
37 HH21 ARG 9 1HH2 ARG 9 -8.528 4.871 -7.751
38 HH22 ARG 9 2HH2 ARG 9 -9.793 5.111 -6.584
39 H ASN 10 H ASN 10 -4.396 0.050 -8.094
40 HA ASN 10 HA ASN 10 -3.783 -2.425 -6.766
41 HB2 ASN 10 2HB ASN 10 -3.583 -1.869 -9.761
42 HB3 ASN 10 1HB ASN 10 -4.078 -3.357 -8.947
43 HD21 ASN 10 1HD2 ASN 10 -5.049 -0.093 -9.799
44 HD22 ASN 10 2HD2 ASN 10 -6.737 -0.262 -9.421
45 H ILE 11 H ILE 11 -1.928 0.179 -7.909
46 HA ILE 11 HA ILE 11 0.529 -1.165 -8.262
47 HB ILE 11 HB ILE 11 -0.061 1.658 -7.357
48 HG12 ILE 11 2HG1 ILE 11 0.892 0.535 -10.003
49 HG13 ILE 11 1HG1 ILE 11 -0.727 1.135 -9.665
50 HG21 ILE 11 1HG2 ILE 11 2.591 0.431 -8.105
51 HG22 ILE 11 2HG2 ILE 11 2.106 0.958 -6.493
52 HG23 ILE 11 3HG2 ILE 11 2.301 2.141 -7.786
53 HD11 ILE 11 3HD1 ILE 11 1.801 2.767 -9.631
54 HD12 ILE 11 1HD1 ILE 11 0.179 3.370 -9.295
55 HD13 ILE 11 2HD1 ILE 11 0.578 2.762 -10.901
56 H PHE 12 H PHE 12 -1.157 0.163 -5.373
57 HA PHE 12 HA PHE 12 1.170 -0.330 -3.769
58 HB2 PHE 12 2HB PHE 12 -1.513 0.793 -3.262
59 HB3 PHE 12 1HB PHE 12 -0.666 0.092 -1.886
60 HD1 PHE 12 1HD PHE 12 0.338 2.136 -4.838
61 HD2 PHE 12 2HD PHE 12 0.372 1.729 -0.599
62 HE1 PHE 12 1HE PHE 12 1.671 4.193 -4.645
63 HE2 PHE 12 2HE PHE 12 1.703 3.776 -0.406
64 HZ PHE 12 HZ PHE 12 2.353 5.013 -2.431
65 H PHE 13 H PHE 13 -2.118 -1.865 -3.626
66 HA PHE 13 HA PHE 13 -1.921 -4.418 -2.293
67 HB2 PHE 13 2HB PHE 13 -2.308 -4.467 -4.955
68 HB3 PHE 13 1HB PHE 13 -3.219 -5.053 -3.817
69 HD1 PHE 13 2HD PHE 13 -3.435 -1.955 -2.766
70 HD2 PHE 13 1HD PHE 13 -4.549 -4.312 -6.131
71 HE1 PHE 13 2HE PHE 13 -5.409 -0.517 -3.152
72 HE2 PHE 13 1HE PHE 13 -6.529 -2.919 -6.476
73 HZ PHE 13 HZ PHE 13 -6.961 -1.027 -4.996
74 H GLU 14 H GLU 14 -0.448 -3.438 -5.526
75 HA GLU 14 HA GLU 14 0.770 -5.948 -6.062
76 HB2 GLU 14 2HB GLU 14 0.382 -4.238 -7.786
77 HB3 GLU 14 1HB GLU 14 1.524 -3.180 -7.012
78 HG2 GLU 14 2HG GLU 14 2.482 -4.239 -8.979
79 HG3 GLU 14 1HG GLU 14 3.337 -4.688 -7.510
80 H LEU 15 H LEU 15 2.085 -2.877 -5.013
81 HA LEU 15 HA LEU 15 4.621 -3.763 -4.171
82 HB2 LEU 15 2HB LEU 15 3.133 -1.728 -2.552
83 HB3 LEU 15 1HB LEU 15 4.832 -1.775 -2.966
84 HG LEU 15 HG LEU 15 2.589 -1.091 -4.830
85 HD11 LEU 15 1HD1 LEU 15 2.924 0.630 -3.169
86 HD12 LEU 15 2HD1 LEU 15 3.505 1.178 -4.742
87 HD13 LEU 15 3HD1 LEU 15 4.654 0.652 -3.512
88 HD21 LEU 15 3HD2 LEU 15 4.453 -2.144 -6.002
89 HD22 LEU 15 1HD2 LEU 15 5.576 -1.007 -5.255
90 HD23 LEU 15 2HD2 LEU 15 4.358 -0.427 -6.391
91 H PHE 16 H PHE 16 1.386 -4.066 -2.786
92 HA PHE 16 HA PHE 16 2.364 -4.363 -0.123
93 HB2 PHE 16 2HB PHE 16 -0.114 -4.257 -1.717
94 HB3 PHE 16 1HB PHE 16 -0.221 -4.840 -0.103
95 HD1 PHE 16 1HD PHE 16 2.070 -2.424 0.350
96 HD2 PHE 16 2HD PHE 16 -2.101 -2.723 -0.822
97 HE1 PHE 16 1HE PHE 16 1.619 -0.164 1.211
98 HE2 PHE 16 2HE PHE 16 -2.457 -0.496 0.052
99 HZ PHE 16 HZ PHE 16 -0.653 0.773 1.050
100 H ASP 17 H ASP 17 1.458 -6.234 -2.886
101 HA ASP 17 HA ASP 17 1.566 -8.803 -1.606
102 HB2 ASP 17 2HB ASP 17 0.257 -8.377 -3.675
103 HB3 ASP 17 1HB ASP 17 1.747 -8.051 -4.530
104 H ARG 18 H ARG 18 3.571 -6.874 -3.662
105 HA ARG 18 HA ARG 18 5.751 -8.590 -3.970
106 HB2 ARG 18 2HB ARG 18 5.193 -6.421 -5.197
107 HB3 ARG 18 1HB ARG 18 5.943 -5.589 -3.844
108 HG2 ARG 18 2HG ARG 18 8.031 -6.174 -4.464
109 HG3 ARG 18 1HG ARG 18 7.520 -7.731 -5.123
110 HD2 ARG 18 2HD ARG 18 7.162 -5.016 -6.383
111 HD3 ARG 18 1HD ARG 18 8.230 -6.311 -6.930
112 HE ARG 18 HE ARG 18 5.279 -6.429 -6.992
113 HH11 ARG 18 1HH1 ARG 18 8.408 -7.342 -8.271
114 HH12 ARG 18 2HH1 ARG 18 7.741 -8.340 -9.529
115 HH21 ARG 18 1HH2 ARG 18 4.391 -7.721 -8.622
116 HH22 ARG 18 2HH2 ARG 18 5.447 -8.567 -9.727
117 H TYR 19 H TYR 19 4.792 -6.610 -1.273
118 HA TYR 19 HA TYR 19 7.375 -7.218 0.030
119 HB2 TYR 19 2HB TYR 19 5.365 -5.011 0.542
120 HB3 TYR 19 1HB TYR 19 6.626 -5.420 1.697
121 HD1 TYR 19 1HD TYR 19 6.773 -5.159 -2.034
122 HD2 TYR 19 2HD TYR 19 8.106 -3.595 1.695
123 HE1 TYR 19 1HE TYR 19 8.328 -3.671 -3.214
124 HE2 TYR 19 2HE TYR 19 9.664 -2.111 0.520
125 HH TYR 19 HH TYR 19 9.468 -1.426 -2.715
126 H LYS 20 H LYS 20 4.514 -8.403 -0.444
127 HA LYS 20 HA LYS 20 2.918 -9.601 0.607
128 HB2 LYS 20 2HB LYS 20 4.616 -11.207 0.382
129 HB3 LYS 20 1HB LYS 20 5.449 -10.670 1.828
130 HG2 LYS 20 2HG LYS 20 3.702 -11.531 3.218
131 HG3 LYS 20 1HG LYS 20 2.688 -11.877 1.814
132 HD2 LYS 20 2HD LYS 20 5.371 -13.149 2.342
133 HD3 LYS 20 1HD LYS 20 3.821 -13.881 2.763
134 HE2 LYS 20 2HE LYS 20 4.657 -13.083 -0.024
135 HE3 LYS 20 1HE LYS 20 4.744 -14.718 0.627
136 HZ1 LYS 20 3HZ LYS 20 2.240 -13.132 0.384
137 HZ2 LYS 20 1HZ LYS 20 2.370 -14.750 0.880
138 HZ3 LYS 20 2HZ LYS 20 2.739 -14.321 -0.719
139 H LEU 21 H LEU 21 1.880 -7.906 1.612
140 HA LEU 21 HA LEU 21 2.642 -7.297 4.352
141 HB2 LEU 21 2HB LEU 21 0.444 -6.354 2.545
142 HB3 LEU 21 1HB LEU 21 0.604 -5.838 4.204
143 HG LEU 21 HG LEU 21 1.394 -4.337 2.351
144 HD11 LEU 21 1HD1 LEU 21 3.230 -3.453 3.716
145 HD12 LEU 21 2HD1 LEU 21 3.261 -4.966 4.621
146 HD13 LEU 21 3HD1 LEU 21 1.845 -3.920 4.700
147 HD21 LEU 21 3HD2 LEU 21 3.764 -4.529 1.729
148 HD22 LEU 21 1HD2 LEU 21 2.780 -5.833 1.068
149 HD23 LEU 21 2HD2 LEU 21 3.800 -6.125 2.475
150 H ASP 22 H ASP 22 1.073 -7.332 6.022
151 HA ASP 22 HA ASP 22 -0.945 -9.427 5.703
152 HB2 ASP 22 2HB ASP 22 0.134 -7.987 8.102
153 HB3 ASP 22 1HB ASP 22 -1.393 -8.856 8.191
154 H LYS 23 H LYS 23 -2.257 -8.561 4.421
155 HA LYS 23 HA LYS 23 -2.958 -5.836 4.330
156 HB2 LYS 23 2HB LYS 23 -3.407 -8.010 2.715
157 HB3 LYS 23 1HB LYS 23 -5.020 -7.509 3.223
158 HG2 LYS 23 2HG LYS 23 -3.073 -6.132 1.479
159 HG3 LYS 23 1HG LYS 23 -4.849 -6.007 1.566
160 HD2 LYS 23 2HD LYS 23 -4.273 -3.917 2.280
161 HD3 LYS 23 1HD LYS 23 -4.250 -4.750 3.834
162 HE2 LYS 23 2HE LYS 23 -1.707 -5.095 2.591
163 HE3 LYS 23 1HE LYS 23 -2.130 -3.381 2.527
164 HZ1 LYS 23 3HZ LYS 23 -0.965 -3.798 4.546
165 HZ2 LYS 23 1HZ LYS 23 -1.981 -5.091 4.950
166 HZ3 LYS 23 2HZ LYS 23 -2.583 -3.511 4.946
167 H PHE 24 H PHE 24 -4.297 -8.586 6.034
168 HA PHE 24 HA PHE 24 -6.741 -7.220 6.801
169 HB2 PHE 24 2HB PHE 24 -5.676 -9.952 7.554
170 HB3 PHE 24 1HB PHE 24 -7.276 -9.344 7.950
171 HD1 PHE 24 1HD PHE 24 -5.075 -10.387 5.175
172 HD2 PHE 24 2HD PHE 24 -9.044 -9.461 6.396
173 HE1 PHE 24 1HE PHE 24 -5.937 -11.310 3.064
174 HE2 PHE 24 2HE PHE 24 -9.911 -10.378 4.285
175 HZ PHE 24 HZ PHE 24 -8.357 -11.305 2.615
176 H SER 25 H SER 25 -3.857 -6.569 7.811
177 HA SER 25 HA SER 25 -4.365 -6.901 10.682
178 HB2 SER 25 2HB SER 25 -2.254 -7.855 9.851
179 HB3 SER 25 1HB SER 25 -1.770 -6.276 9.238
180 HG SER 25 HG SER 25 -1.555 -7.297 11.732
181 H THR 26 H THR 26 -2.015 -4.570 10.083
182 HA THR 26 HA THR 26 -3.922 -2.366 10.648
183 HB THR 26 HB THR 26 -1.543 -1.279 11.295
184 HG1 THR 26 1HG THR 26 -1.263 -3.922 12.309
185 HG21 THR 26 3HG2 THR 26 -3.540 -1.349 12.734
186 HG22 THR 26 1HG2 THR 26 -2.086 -1.754 13.647
187 HG23 THR 26 2HG2 THR 26 -3.197 -3.027 13.149
188 H TRP 27 H TRP 27 -3.556 -0.491 9.766
189 HA TRP 27 HA TRP 27 -2.687 -0.578 7.056
190 HB2 TRP 27 2HB TRP 27 -4.246 1.134 7.485
191 HB3 TRP 27 1HB TRP 27 -3.405 1.653 8.944
192 HD1 TRP 27 HD TRP 27 -2.458 4.025 8.418
193 HE1 TRP 27 1HE TRP 27 -1.243 5.204 6.593
194 HE3 TRP 27 3HE TRP 27 -2.638 0.327 5.051
195 HZ2 TRP 27 2HZ TRP 27 -0.585 4.730 4.033
196 HZ3 TRP 27 3HZ TRP 27 -1.773 0.861 2.810
197 HH2 TRP 27 HH TRP 27 -0.910 3.084 2.419
198 H SER 28 H SER 28 -1.342 0.856 10.027
199 HA SER 28 HA SER 28 0.829 1.676 8.436
200 HB2 SER 28 2HB SER 28 1.853 2.348 10.460
201 HB3 SER 28 1HB SER 28 0.598 3.304 9.777
202 HG SER 28 HG SER 28 -0.268 3.160 11.725
203 H LEU 29 H LEU 29 0.504 -0.993 10.703
204 HA LEU 29 HA LEU 29 3.213 -1.495 11.077
205 HB2 LEU 29 2HB LEU 29 1.362 -2.953 11.924
206 HB3 LEU 29 1HB LEU 29 1.153 -3.572 10.301
207 HG LEU 29 HG LEU 29 3.448 -4.483 10.364
208 HD11 LEU 29 1HD1 LEU 29 4.427 -2.909 11.944
209 HD12 LEU 29 2HD1 LEU 29 4.652 -4.571 12.491
210 HD13 LEU 29 3HD1 LEU 29 3.416 -3.557 13.234
211 HD21 LEU 29 3HD2 LEU 29 1.662 -5.346 12.637
212 HD22 LEU 29 1HD2 LEU 29 2.977 -6.299 11.945
213 HD23 LEU 29 2HD2 LEU 29 1.565 -5.898 10.965
214 H GLN 30 H GLN 30 1.199 -1.517 8.387
215 HA GLN 30 HA GLN 30 3.149 -2.656 6.551
216 HB2 GLN 30 2HB GLN 30 0.568 -1.328 5.759
217 HB3 GLN 30 1HB GLN 30 1.511 -2.498 4.853
218 HG2 GLN 30 2HG GLN 30 -0.429 -2.917 7.016
219 HG3 GLN 30 1HG GLN 30 -0.212 -3.820 5.572
220 HE21 GLN 30 1HE2 GLN 30 -0.545 -4.665 8.350
221 HE22 GLN 30 2HE2 GLN 30 0.811 -5.679 8.700
222 H SER 31 H SER 31 1.550 0.438 7.140
223 HA SER 31 HA SER 31 3.095 1.789 5.232
224 HB2 SER 31 2HB SER 31 1.922 3.864 6.017
225 HB3 SER 31 1HB SER 31 0.990 2.624 5.190
226 HG SER 31 HG SER 31 -0.102 3.254 7.022
227 H LYS 32 H LYS 32 3.261 2.019 8.745
228 HA LYS 32 HA LYS 32 5.303 4.000 8.572
229 HB2 LYS 32 2HB LYS 32 5.853 3.473 10.894
230 HB3 LYS 32 1HB LYS 32 4.122 3.660 10.691
231 HG2 LYS 32 2HG LYS 32 4.276 1.856 12.102
232 HG3 LYS 32 1HG LYS 32 4.095 1.088 10.529
233 HD2 LYS 32 2HD LYS 32 5.798 -0.050 11.815
234 HD3 LYS 32 1HD LYS 32 6.533 0.759 10.432
235 HE2 LYS 32 2HE LYS 32 6.422 2.154 13.071
236 HE3 LYS 32 1HE LYS 32 7.633 0.903 12.804
237 HZ1 LYS 32 3HZ LYS 32 7.302 3.455 11.327
238 HZ2 LYS 32 1HZ LYS 32 8.266 2.181 10.752
239 HZ3 LYS 32 2HZ LYS 32 8.640 2.929 12.222
240 H LYS 33 H LYS 33 5.036 0.942 7.573
241 HA LYS 33 HA LYS 33 7.882 0.229 7.902
242 HB2 LYS 33 2HB LYS 33 6.695 -1.675 8.411
243 HB3 LYS 33 1HB LYS 33 5.408 -1.310 7.274
244 HG2 LYS 33 2HG LYS 33 6.793 -1.992 5.422
245 HG3 LYS 33 1HG LYS 33 8.166 -2.236 6.504
246 HD2 LYS 33 2HD LYS 33 5.585 -3.709 6.908
247 HD3 LYS 33 1HD LYS 33 6.812 -4.295 5.781
248 HE2 LYS 33 2HE LYS 33 7.251 -3.723 8.710
249 HE3 LYS 33 1HE LYS 33 7.025 -5.325 8.003
250 HZ1 LYS 33 3HZ LYS 33 9.026 -4.926 6.652
251 HZ2 LYS 33 1HZ LYS 33 9.361 -4.897 8.315
252 HZ3 LYS 33 2HZ LYS 33 9.262 -3.448 7.440
253 H ILE 34 H ILE 34 5.437 0.304 5.279
254 HA ILE 34 HA ILE 34 7.441 0.314 3.237
255 HB ILE 34 HB ILE 34 5.713 0.576 1.634
256 HG12 ILE 34 2HG1 ILE 34 3.545 1.066 3.693
257 HG13 ILE 34 1HG1 ILE 34 4.488 2.392 3.056
258 HG21 ILE 34 1HG2 ILE 34 5.842 -1.619 2.609
259 HG22 ILE 34 2HG2 ILE 34 4.167 -1.241 2.203
260 HG23 ILE 34 3HG2 ILE 34 4.709 -1.155 3.879
261 HD11 ILE 34 3HD1 ILE 34 2.399 2.054 1.844
262 HD12 ILE 34 1HD1 ILE 34 2.897 0.410 1.440
263 HD13 ILE 34 2HD1 ILE 34 3.794 1.789 0.796
264 H GLU 35 H GLU 35 6.566 2.496 5.391
265 HA GLU 35 HA GLU 35 6.142 4.957 4.442
266 HB2 GLU 35 2HB GLU 35 6.618 4.199 6.807
267 HB3 GLU 35 1HB GLU 35 8.324 4.387 6.429
268 HG2 GLU 35 2HG GLU 35 7.518 6.777 5.675
269 HG3 GLU 35 1HG GLU 35 6.235 6.413 6.797
270 H ASN 36 H ASN 36 9.464 4.380 5.321
271 HA ASN 36 HA ASN 36 10.470 6.220 3.423
272 HB2 ASN 36 2HB ASN 36 11.607 4.519 5.518
273 HB3 ASN 36 1HB ASN 36 12.690 4.801 4.159
274 HD21 ASN 36 1HD2 ASN 36 10.240 7.056 5.264
275 HD22 ASN 36 2HD2 ASN 36 11.343 8.261 5.827
276 H ASP 37 H ASP 37 9.215 3.360 2.639
277 HA ASP 37 HA ASP 37 11.204 2.602 0.661
278 HB2 ASP 37 2HB ASP 37 8.361 1.638 1.102
279 HB3 ASP 37 1HB ASP 37 9.435 1.001 -0.139
280 HA PRO 38 HA PRO 38 9.986 5.764 -2.204
281 HB2 PRO 38 2HB PRO 38 10.830 3.737 -4.217
282 HB3 PRO 38 1HB PRO 38 11.328 5.425 -4.042
283 HG2 PRO 38 2HG PRO 38 12.959 3.461 -3.306
284 HG3 PRO 38 1HG PRO 38 12.828 4.940 -2.334
285 HD2 PRO 38 2HD PRO 38 11.661 2.231 -1.834
286 HD3 PRO 38 1HD PRO 38 12.348 3.393 -0.681
287 H ASP 39 H ASP 39 8.718 2.582 -2.155
288 HA ASP 39 HA ASP 39 6.893 2.877 -4.330
289 HB2 ASP 39 2HB ASP 39 7.145 0.853 -2.117
290 HB3 ASP 39 1HB ASP 39 5.854 0.788 -3.315
291 H PHE 40 H PHE 40 6.751 3.489 -0.878
292 HA PHE 40 HA PHE 40 4.010 4.013 -0.544
293 HB2 PHE 40 2HB PHE 40 6.214 4.194 0.987
294 HB3 PHE 40 1HB PHE 40 6.025 5.885 0.590
295 HD1 PHE 40 2HD PHE 40 2.918 3.851 1.156
296 HD2 PHE 40 1HD PHE 40 5.912 6.379 2.877
297 HE1 PHE 40 2HE PHE 40 1.589 4.087 3.168
298 HE2 PHE 40 1HE PHE 40 4.546 6.591 4.890
299 HZ PHE 40 HZ PHE 40 2.426 5.409 5.030
300 H TYR 41 H TYR 41 6.612 5.812 -2.020
301 HA TYR 41 HA TYR 41 5.058 8.221 -2.362
302 HB2 TYR 41 2HB TYR 41 7.892 7.452 -3.003
303 HB3 TYR 41 1HB TYR 41 7.195 8.957 -3.594
304 HD1 TYR 41 2HD TYR 41 8.032 7.066 -0.512
305 HD2 TYR 41 1HD TYR 41 6.988 10.834 -2.188
306 HE1 TYR 41 2HE TYR 41 8.547 8.159 1.632
307 HE2 TYR 41 1HE TYR 41 7.497 11.935 -0.053
308 HH TYR 41 HH TYR 41 9.110 10.326 2.524
309 H LYS 42 H LYS 42 4.892 5.400 -3.942
310 HA LYS 42 HA LYS 42 4.927 6.140 -6.661
311 HB2 LYS 42 2HB LYS 42 3.311 4.094 -5.146
312 HB3 LYS 42 1HB LYS 42 3.094 4.338 -6.870
313 HG2 LYS 42 2HG LYS 42 5.706 3.593 -5.568
314 HG3 LYS 42 1HG LYS 42 4.584 2.448 -6.305
315 HD2 LYS 42 2HD LYS 42 4.803 3.736 -8.440
316 HD3 LYS 42 1HD LYS 42 6.073 4.688 -7.668
317 HE2 LYS 42 2HE LYS 42 6.110 1.701 -8.079
318 HE3 LYS 42 1HE LYS 42 6.989 2.879 -9.049
319 HZ1 LYS 42 3HZ LYS 42 8.552 2.108 -7.539
320 HZ2 LYS 42 1HZ LYS 42 7.457 2.073 -6.246
321 HZ3 LYS 42 2HZ LYS 42 8.032 3.560 -6.832
322 H ILE 43 H ILE 43 2.509 6.449 -4.136
323 HA ILE 43 HA ILE 43 0.881 8.125 -5.919
324 HB ILE 43 HB ILE 43 0.096 6.841 -3.293
325 HG12 ILE 43 2HG1 ILE 43 0.295 5.148 -4.987
326 HG13 ILE 43 1HG1 ILE 43 -1.419 5.475 -4.744
327 HG21 ILE 43 1HG2 ILE 43 -1.076 8.947 -3.668
328 HG22 ILE 43 2HG2 ILE 43 -2.174 7.576 -3.825
329 HG23 ILE 43 3HG2 ILE 43 -1.574 8.394 -5.268
330 HD11 ILE 43 3HD1 ILE 43 -0.921 5.216 -7.089
331 HD12 ILE 43 1HD1 ILE 43 0.284 6.500 -7.000
332 HD13 ILE 43 2HD1 ILE 43 -1.421 6.874 -6.751
333 H ARG 44 H ARG 44 0.600 10.225 -5.480
334 HA ARG 44 HA ARG 44 2.454 11.534 -3.785
335 HB2 ARG 44 2HB ARG 44 1.594 12.515 -5.861
336 HB3 ARG 44 1HB ARG 44 -0.016 12.600 -5.162
337 HG2 ARG 44 2HG ARG 44 0.815 14.172 -3.471
338 HG3 ARG 44 1HG ARG 44 2.413 14.112 -4.222
339 HD2 ARG 44 2HD ARG 44 -0.145 15.076 -5.501
340 HD3 ARG 44 1HD ARG 44 1.212 16.075 -4.982
341 HE ARG 44 HE ARG 44 2.504 14.644 -6.692
342 HH11 ARG 44 1HH1 ARG 44 -0.818 15.739 -7.044
343 HH12 ARG 44 2HH1 ARG 44 -0.770 15.668 -8.781
344 HH21 ARG 44 1HH2 ARG 44 2.562 14.539 -8.936
345 HH22 ARG 44 2HH2 ARG 44 1.162 14.984 -9.874
346 H ASP 45 H ASP 45 -0.886 10.593 -3.388
347 HA ASP 45 HA ASP 45 -1.078 12.150 -0.909
348 HB2 ASP 45 2HB ASP 45 -2.849 12.410 -2.653
349 HB3 ASP 45 1HB ASP 45 -3.277 10.718 -2.407
350 H ASP 46 H ASP 46 -1.329 11.226 1.047
351 HA ASP 46 HA ASP 46 -0.661 8.407 1.228
352 HB2 ASP 46 2HB ASP 46 0.453 10.137 2.647
353 HB3 ASP 46 1HB ASP 46 -1.082 10.399 3.467
354 H THR 47 H THR 47 -3.467 10.434 1.726
355 HA THR 47 HA THR 47 -4.903 8.438 3.211
356 HB THR 47 HB THR 47 -6.882 10.062 2.359
357 HG1 THR 47 1HG THR 47 -5.172 11.296 1.174
358 HG21 THR 47 3HG2 THR 47 -4.942 10.647 4.598
359 HG22 THR 47 1HG2 THR 47 -6.325 9.551 4.680
360 HG23 THR 47 2HG2 THR 47 -6.584 11.282 4.465
361 H VAL 48 H VAL 48 -3.991 8.591 0.070
362 HA VAL 48 HA VAL 48 -6.239 6.953 -0.845
363 HB VAL 48 HB VAL 48 -3.774 7.889 -2.340
364 HG11 VAL 48 1HG1 VAL 48 -4.932 7.106 -4.356
365 HG12 VAL 48 2HG1 VAL 48 -6.228 6.456 -3.352
366 HG13 VAL 48 3HG1 VAL 48 -4.602 5.784 -3.237
367 HG21 VAL 48 3HG2 VAL 48 -6.632 8.844 -2.477
368 HG22 VAL 48 1HG2 VAL 48 -5.321 9.382 -3.526
369 HG23 VAL 48 2HG2 VAL 48 -5.266 9.731 -1.798
370 H ARG 49 H ARG 49 -2.926 6.831 0.163
371 HA ARG 49 HA ARG 49 -2.110 4.305 -0.771
372 HB2 ARG 49 2HB ARG 49 -1.335 5.832 1.725
373 HB3 ARG 49 1HB ARG 49 -0.467 4.442 1.136
374 HG2 ARG 49 2HG ARG 49 0.070 5.637 -0.913
375 HG3 ARG 49 1HG ARG 49 -0.844 7.016 -0.318
376 HD2 ARG 49 2HD ARG 49 0.696 7.114 1.635
377 HD3 ARG 49 1HD ARG 49 1.661 5.857 0.867
378 HE ARG 49 HE ARG 49 1.659 7.626 -1.064
379 HH11 ARG 49 1HH1 ARG 49 1.982 8.203 2.378
380 HH12 ARG 49 2HH1 ARG 49 3.007 9.600 2.169
381 HH21 ARG 49 1HH2 ARG 49 2.950 9.455 -1.348
382 HH22 ARG 49 2HH2 ARG 49 3.537 10.335 0.034
383 H GLU 50 H GLU 50 -3.629 5.172 2.359
384 HA GLU 50 HA GLU 50 -3.578 2.371 2.968
385 HB2 GLU 50 2HB GLU 50 -5.146 3.442 4.847
386 HB3 GLU 50 1HB GLU 50 -3.529 3.049 5.014
387 HG2 GLU 50 2HG GLU 50 -4.010 5.077 5.879
388 HG3 GLU 50 1HG GLU 50 -2.871 5.261 4.675
389 H SER 51 H SER 51 -5.896 4.592 1.725
390 HA SER 51 HA SER 51 -8.116 2.888 1.800
391 HB2 SER 51 2HB SER 51 -7.251 4.753 -0.425
392 HB3 SER 51 1HB SER 51 -8.853 4.032 -0.278
393 HG SER 51 HG SER 51 -7.799 5.466 1.893
394 H LEU 52 H LEU 52 -5.081 2.295 0.447
395 HA LEU 52 HA LEU 52 -5.893 0.938 -1.849
396 HB2 LEU 52 2HB LEU 52 -3.408 1.661 -0.615
397 HB3 LEU 52 1HB LEU 52 -3.298 0.231 -1.499
398 HG LEU 52 HG LEU 52 -3.375 1.309 -3.529
399 HD11 LEU 52 1HD1 LEU 52 -5.739 1.860 -3.288
400 HD12 LEU 52 2HD1 LEU 52 -4.853 3.203 -4.014
401 HD13 LEU 52 3HD1 LEU 52 -5.321 3.269 -2.314
402 HD21 LEU 52 3HD2 LEU 52 -2.523 3.585 -3.487
403 HD22 LEU 52 1HD2 LEU 52 -1.682 2.584 -2.305
404 HD23 LEU 52 2HD2 LEU 52 -2.925 3.719 -1.775
405 H PHE 53 H PHE 53 -4.389 0.241 0.723
406 HA PHE 53 HA PHE 53 -3.909 -2.326 0.938
407 HB2 PHE 53 2HB PHE 53 -3.153 -0.727 2.299
408 HB3 PHE 53 1HB PHE 53 -4.654 0.225 1.982
409 HD1 PHE 53 1HD PHE 53 -6.478 -0.035 3.582
410 HD2 PHE 53 2HD PHE 53 -2.880 -2.150 4.125
411 HE1 PHE 53 1HE PHE 53 -7.156 -0.536 5.914
412 HE2 PHE 53 2HE PHE 53 -3.514 -2.686 6.459
413 HZ PHE 53 HZ PHE 53 -5.665 -1.872 7.353
414 H GLU 54 H GLU 54 -6.903 -0.567 1.780
415 HA GLU 54 HA GLU 54 -8.344 -2.705 2.909
416 HB2 GLU 54 2HB GLU 54 -9.864 -0.617 1.435
417 HB3 GLU 54 1HB GLU 54 -10.120 -1.260 3.050
418 HG2 GLU 54 2HG GLU 54 -8.192 0.026 3.846
419 HG3 GLU 54 1HG GLU 54 -8.003 0.692 2.221
420 H GLU 55 H GLU 55 -8.408 -1.312 -0.338
421 HA GLU 55 HA GLU 55 -10.383 -3.057 -1.346
422 HB2 GLU 55 2HB GLU 55 -8.269 -1.589 -2.923
423 HB3 GLU 55 1HB GLU 55 -9.793 -2.219 -3.537
424 HG2 GLU 55 2HG GLU 55 -10.903 -0.678 -1.826
425 HG3 GLU 55 1HG GLU 55 -9.324 0.097 -1.706
426 H TRP 56 H TRP 56 -6.834 -3.125 -1.627
427 HA TRP 56 HA TRP 56 -6.623 -5.469 -3.121
428 HB2 TRP 56 2HB TRP 56 -4.786 -4.008 -2.906
429 HB3 TRP 56 1HB TRP 56 -4.779 -4.249 -1.189
430 HD1 TRP 56 HD TRP 56 -4.112 -6.698 -4.032
431 HE1 TRP 56 1HE TRP 56 -2.315 -8.346 -3.222
432 HE3 TRP 56 3HE TRP 56 -3.460 -4.316 -0.427
433 HZ2 TRP 56 2HZ TRP 56 -0.547 -8.197 -0.878
434 HZ3 TRP 56 3HZ TRP 56 -1.741 -4.657 0.631
435 HH2 TRP 56 HH TRP 56 -0.258 -6.561 0.850
436 H CYS 57 H CYS 57 -7.155 -4.911 0.182
437 HA CYS 57 HA CYS 57 -6.306 -7.384 1.307
438 HB2 CYS 57 2HB CYS 57 -6.458 -5.350 2.662
439 HB3 CYS 57 1HB CYS 57 -8.196 -5.282 2.400
440 HG CYS 57 HG CYS 57 -8.910 -7.027 4.204
441 H GLY 58 H GLY 58 -9.515 -5.979 0.651
442 HA2 GLY 58 2HA GLY 58 -10.753 -8.627 0.919
443 HA3 GLY 58 1HA GLY 58 -11.605 -7.089 0.783
444 H GLU 59 H GLU 59 -8.968 -8.232 -1.145
445 HA GLU 59 HA GLU 59 -10.498 -7.667 -3.558
446 HB2 GLU 59 2HB GLU 59 -8.064 -6.797 -2.754
447 HB3 GLU 59 1HB GLU 59 -7.584 -8.286 -3.593
448 HG2 GLU 59 2HG GLU 59 -9.246 -6.124 -4.863
449 HG3 GLU 59 1HG GLU 59 -7.493 -6.236 -4.994
Start of MODEL 3
1 H1 ASP 5 H ASP 5 -7.235 7.399 -8.584
2 HA ASP 5 HA ASP 5 -10.035 7.371 -7.815
3 HB2 ASP 5 2HB ASP 5 -9.407 9.459 -9.380
4 HB3 ASP 5 1HB ASP 5 -9.587 8.235 -10.631
5 H ILE 6 H ILE 6 -9.006 5.288 -7.557
6 HA ILE 6 HA ILE 6 -8.334 3.218 -8.129
7 HB ILE 6 HB ILE 6 -9.949 1.931 -9.422
8 HG12 ILE 6 2HG1 ILE 6 -11.466 4.545 -9.654
9 HG13 ILE 6 1HG1 ILE 6 -10.729 3.673 -10.992
10 HG21 ILE 6 1HG2 ILE 6 -10.183 2.189 -7.030
11 HG22 ILE 6 2HG2 ILE 6 -11.778 2.179 -7.781
12 HG23 ILE 6 3HG2 ILE 6 -11.063 3.701 -7.251
13 HD11 ILE 6 3HD1 ILE 6 -13.138 3.323 -10.898
14 HD12 ILE 6 1HD1 ILE 6 -12.980 2.664 -9.269
15 HD13 ILE 6 2HD1 ILE 6 -12.261 1.817 -10.637
16 H ASP 7 H ASP 7 -6.472 3.356 -9.063
17 HA ASP 7 HA ASP 7 -6.107 2.260 -11.472
18 HB2 ASP 7 2HB ASP 7 -6.779 4.355 -12.505
19 HB3 ASP 7 1HB ASP 7 -5.442 5.108 -11.640
20 H GLU 8 H GLU 8 -5.030 4.232 -9.689
21 HA GLU 8 HA GLU 8 -2.194 3.575 -9.610
22 HB2 GLU 8 2HB GLU 8 -1.904 5.380 -8.040
23 HB3 GLU 8 1HB GLU 8 -2.953 5.930 -9.335
24 HG2 GLU 8 2HG GLU 8 -3.831 5.076 -6.582
25 HG3 GLU 8 1HG GLU 8 -3.728 6.731 -7.179
26 H ARG 9 H ARG 9 -5.024 2.936 -7.769
27 HA ARG 9 HA ARG 9 -4.000 2.173 -5.321
28 HB2 ARG 9 2HB ARG 9 -6.089 1.010 -4.998
29 HB3 ARG 9 1HB ARG 9 -6.380 2.480 -5.899
30 HG2 ARG 9 2HG ARG 9 -6.583 1.216 -7.964
31 HG3 ARG 9 1HG ARG 9 -6.254 -0.275 -7.086
32 HD2 ARG 9 2HD ARG 9 -8.255 0.188 -5.687
33 HD3 ARG 9 1HD ARG 9 -8.618 1.563 -6.722
34 HE ARG 9 HE ARG 9 -8.573 -0.350 -8.523
35 HH11 ARG 9 1HH1 ARG 9 -9.968 -0.390 -5.309
36 HH12 ARG 9 2HH1 ARG 9 -11.132 -1.616 -5.690
37 HH21 ARG 9 1HH2 ARG 9 -10.124 -1.970 -9.024
38 HH22 ARG 9 2HH2 ARG 9 -11.215 -2.517 -7.778
39 H ASN 10 H ASN 10 -4.553 0.144 -8.161
40 HA ASN 10 HA ASN 10 -3.816 -2.303 -6.917
41 HB2 ASN 10 2HB ASN 10 -4.009 -1.488 -9.827
42 HB3 ASN 10 1HB ASN 10 -3.585 -3.125 -9.325
43 HD21 ASN 10 1HD2 ASN 10 -6.095 -0.766 -9.575
44 HD22 ASN 10 2HD2 ASN 10 -7.403 -1.797 -9.098
45 H ILE 11 H ILE 11 -1.891 0.278 -7.921
46 HA ILE 11 HA ILE 11 0.490 -1.195 -8.395
47 HB ILE 11 HB ILE 11 -0.049 1.675 -7.676
48 HG12 ILE 11 2HG1 ILE 11 1.136 2.054 -9.844
49 HG13 ILE 11 1HG1 ILE 11 1.254 0.310 -10.042
50 HG21 ILE 11 1HG2 ILE 11 1.945 1.115 -6.423
51 HG22 ILE 11 2HG2 ILE 11 2.364 2.135 -7.799
52 HG23 ILE 11 3HG2 ILE 11 2.675 0.400 -7.862
53 HD11 ILE 11 3HD1 ILE 11 -0.555 1.213 -11.360
54 HD12 ILE 11 1HD1 ILE 11 -1.285 1.916 -9.915
55 HD13 ILE 11 2HD1 ILE 11 -1.185 0.164 -10.089
56 H PHE 12 H PHE 12 -1.002 0.247 -5.477
57 HA PHE 12 HA PHE 12 1.315 -0.267 -3.882
58 HB2 PHE 12 2HB PHE 12 -1.399 0.811 -3.417
59 HB3 PHE 12 1HB PHE 12 -0.582 0.113 -2.016
60 HD1 PHE 12 1HD PHE 12 0.557 2.214 -4.941
61 HD2 PHE 12 2HD PHE 12 0.309 1.809 -0.682
62 HE1 PHE 12 1HE PHE 12 1.791 4.311 -4.650
63 HE2 PHE 12 2HE PHE 12 1.554 3.902 -0.419
64 HZ PHE 12 HZ PHE 12 2.291 5.156 -2.399
65 H PHE 13 H PHE 13 -1.936 -1.832 -3.760
66 HA PHE 13 HA PHE 13 -1.884 -4.367 -2.397
67 HB2 PHE 13 2HB PHE 13 -2.080 -4.143 -5.090
68 HB3 PHE 13 1HB PHE 13 -3.018 -5.008 -4.143
69 HD1 PHE 13 2HD PHE 13 -3.134 -1.771 -2.871
70 HD2 PHE 13 1HD PHE 13 -4.561 -4.170 -6.085
71 HE1 PHE 13 2HE PHE 13 -5.115 -0.338 -3.078
72 HE2 PHE 13 1HE PHE 13 -6.552 -2.755 -6.266
73 HZ PHE 13 HZ PHE 13 -6.826 -0.851 -4.756
74 H GLU 14 H GLU 14 -0.337 -3.553 -5.597
75 HA GLU 14 HA GLU 14 0.747 -6.167 -5.938
76 HB2 GLU 14 2HB GLU 14 0.284 -4.097 -7.619
77 HB3 GLU 14 1HB GLU 14 1.996 -3.838 -7.334
78 HG2 GLU 14 2HG GLU 14 0.826 -6.430 -8.308
79 HG3 GLU 14 1HG GLU 14 1.455 -5.168 -9.362
80 H LEU 15 H LEU 15 2.156 -3.023 -5.077
81 HA LEU 15 HA LEU 15 4.683 -3.947 -4.241
82 HB2 LEU 15 2HB LEU 15 3.246 -1.745 -2.796
83 HB3 LEU 15 1HB LEU 15 4.944 -1.870 -3.181
84 HG LEU 15 HG LEU 15 2.745 -1.288 -5.129
85 HD11 LEU 15 1HD1 LEU 15 3.095 0.564 -3.628
86 HD12 LEU 15 2HD1 LEU 15 3.715 0.956 -5.232
87 HD13 LEU 15 3HD1 LEU 15 4.831 0.517 -3.939
88 HD21 LEU 15 3HD2 LEU 15 4.574 -0.782 -6.705
89 HD22 LEU 15 1HD2 LEU 15 4.569 -2.475 -6.208
90 HD23 LEU 15 2HD2 LEU 15 5.739 -1.355 -5.511
91 H PHE 16 H PHE 16 1.448 -4.063 -2.840
92 HA PHE 16 HA PHE 16 2.319 -4.197 -0.167
93 HB2 PHE 16 2HB PHE 16 -0.069 -4.297 -1.811
94 HB3 PHE 16 1HB PHE 16 -0.218 -4.814 -0.178
95 HD1 PHE 16 1HD PHE 16 2.016 -2.225 0.025
96 HD2 PHE 16 2HD PHE 16 -2.165 -2.918 -0.851
97 HE1 PHE 16 1HE PHE 16 1.457 0.066 0.718
98 HE2 PHE 16 2HE PHE 16 -2.644 -0.640 -0.145
99 HZ PHE 16 HZ PHE 16 -0.878 0.834 0.633
100 H ASP 17 H ASP 17 1.403 -6.371 -2.689
101 HA ASP 17 HA ASP 17 1.644 -8.731 -1.078
102 HB2 ASP 17 2HB ASP 17 0.236 -8.448 -3.238
103 HB3 ASP 17 1HB ASP 17 1.764 -8.674 -4.079
104 H ARG 18 H ARG 18 3.577 -7.063 -3.486
105 HA ARG 18 HA ARG 18 5.674 -8.867 -3.746
106 HB2 ARG 18 2HB ARG 18 5.346 -6.887 -5.185
107 HB3 ARG 18 1HB ARG 18 5.817 -5.846 -3.850
108 HG2 ARG 18 2HG ARG 18 7.689 -6.050 -5.294
109 HG3 ARG 18 1HG ARG 18 8.038 -6.988 -3.843
110 HD2 ARG 18 2HD ARG 18 7.021 -8.112 -6.443
111 HD3 ARG 18 1HD ARG 18 8.699 -8.150 -5.915
112 HE ARG 18 HE ARG 18 7.851 -9.520 -3.991
113 HH11 ARG 18 1HH1 ARG 18 6.155 -9.433 -7.050
114 HH12 ARG 18 2HH1 ARG 18 5.375 -10.962 -6.809
115 HH21 ARG 18 1HH2 ARG 18 6.799 -11.529 -3.649
116 HH22 ARG 18 2HH2 ARG 18 5.729 -12.149 -4.875
117 H TYR 19 H TYR 19 4.945 -6.643 -1.203
118 HA TYR 19 HA TYR 19 7.540 -7.218 0.064
119 HB2 TYR 19 2HB TYR 19 5.619 -4.913 0.384
120 HB3 TYR 19 1HB TYR 19 6.914 -5.223 1.534
121 HD1 TYR 19 1HD TYR 19 6.592 -5.075 -2.213
122 HD2 TYR 19 2HD TYR 19 8.762 -3.873 1.253
123 HE1 TYR 19 1HE TYR 19 8.149 -3.803 -3.624
124 HE2 TYR 19 2HE TYR 19 10.320 -2.614 -0.154
125 HH TYR 19 HH TYR 19 9.720 -1.681 -3.168
126 H LYS 20 H LYS 20 4.511 -8.300 -0.010
127 HA LYS 20 HA LYS 20 3.099 -9.424 1.330
128 HB2 LYS 20 2HB LYS 20 4.660 -11.078 1.560
129 HB3 LYS 20 1HB LYS 20 5.790 -10.074 2.447
130 HG2 LYS 20 2HG LYS 20 4.906 -11.790 3.887
131 HG3 LYS 20 1HG LYS 20 4.320 -10.217 4.421
132 HD2 LYS 20 2HD LYS 20 2.211 -10.698 3.117
133 HD3 LYS 20 1HD LYS 20 2.809 -12.349 2.923
134 HE2 LYS 20 2HE LYS 20 2.923 -12.590 5.358
135 HE3 LYS 20 1HE LYS 20 2.327 -10.943 5.550
136 HZ1 LYS 20 3HZ LYS 20 0.888 -13.347 4.654
137 HZ2 LYS 20 1HZ LYS 20 0.361 -11.816 4.140
138 HZ3 LYS 20 2HZ LYS 20 0.427 -12.177 5.793
139 H LEU 21 H LEU 21 1.878 -7.639 2.008
140 HA LEU 21 HA LEU 21 2.424 -6.825 4.786
141 HB2 LEU 21 2HB LEU 21 0.397 -5.943 2.733
142 HB3 LEU 21 1HB LEU 21 0.577 -5.216 4.312
143 HG LEU 21 HG LEU 21 2.363 -5.098 1.949
144 HD11 LEU 21 1HD1 LEU 21 1.204 -2.989 3.724
145 HD12 LEU 21 2HD1 LEU 21 0.657 -3.415 2.103
146 HD13 LEU 21 3HD1 LEU 21 2.251 -2.695 2.335
147 HD21 LEU 21 3HD2 LEU 21 3.842 -5.674 3.763
148 HD22 LEU 21 1HD2 LEU 21 3.156 -4.389 4.756
149 HD23 LEU 21 2HD2 LEU 21 4.077 -3.989 3.307
150 H ASP 22 H ASP 22 0.158 -6.544 5.878
151 HA ASP 22 HA ASP 22 -1.651 -8.777 5.273
152 HB2 ASP 22 2HB ASP 22 -0.714 -7.808 7.966
153 HB3 ASP 22 1HB ASP 22 -2.202 -8.740 7.783
154 H LYS 23 H LYS 23 -3.144 -7.823 4.286
155 HA LYS 23 HA LYS 23 -3.450 -4.992 4.239
156 HB2 LYS 23 2HB LYS 23 -5.215 -7.086 2.994
157 HB3 LYS 23 1HB LYS 23 -5.013 -5.396 2.502
158 HG2 LYS 23 2HG LYS 23 -3.262 -6.034 1.204
159 HG3 LYS 23 1HG LYS 23 -2.490 -6.407 2.718
160 HD2 LYS 23 2HD LYS 23 -4.155 -8.584 2.254
161 HD3 LYS 23 1HD LYS 23 -3.296 -8.237 0.739
162 HE2 LYS 23 2HE LYS 23 -2.238 -9.075 3.354
163 HE3 LYS 23 1HE LYS 23 -1.632 -9.397 1.735
164 HZ1 LYS 23 3HZ LYS 23 -0.062 -7.980 2.654
165 HZ2 LYS 23 1HZ LYS 23 -1.195 -6.918 3.422
166 HZ3 LYS 23 2HZ LYS 23 -1.003 -6.953 1.706
167 H PHE 24 H PHE 24 -4.678 -7.199 6.446
168 HA PHE 24 HA PHE 24 -7.119 -5.649 6.964
169 HB2 PHE 24 2HB PHE 24 -8.291 -7.792 7.493
170 HB3 PHE 24 1HB PHE 24 -7.856 -7.619 5.796
171 HD1 PHE 24 1HD PHE 24 -6.039 -8.960 4.839
172 HD2 PHE 24 2HD PHE 24 -7.322 -9.498 8.859
173 HE1 PHE 24 1HE PHE 24 -4.882 -11.128 4.913
174 HE2 PHE 24 2HE PHE 24 -6.165 -11.667 8.944
175 HZ PHE 24 HZ PHE 24 -4.940 -12.484 6.968
176 H SER 25 H SER 25 -4.267 -6.341 8.239
177 HA SER 25 HA SER 25 -5.241 -7.058 10.909
178 HB2 SER 25 2HB SER 25 -3.319 -8.335 10.089
179 HB3 SER 25 1HB SER 25 -2.412 -6.845 9.830
180 HG SER 25 HG SER 25 -3.336 -7.873 12.317
181 H THR 26 H THR 26 -2.609 -4.934 9.882
182 HA THR 26 HA THR 26 -3.989 -2.567 11.064
183 HB THR 26 HB THR 26 -1.433 -1.808 11.154
184 HG1 THR 26 1HG THR 26 -0.706 -3.858 10.377
185 HG21 THR 26 3HG2 THR 26 -2.719 -3.535 13.291
186 HG22 THR 26 1HG2 THR 26 -2.969 -1.805 13.076
187 HG23 THR 26 2HG2 THR 26 -1.380 -2.415 13.537
188 H TRP 27 H TRP 27 -3.488 -0.738 10.073
189 HA TRP 27 HA TRP 27 -3.013 -1.036 7.235
190 HB2 TRP 27 2HB TRP 27 -4.257 0.873 7.637
191 HB3 TRP 27 1HB TRP 27 -3.376 1.265 9.108
192 HD1 TRP 27 HD TRP 27 -2.225 3.536 8.668
193 HE1 TRP 27 1HE TRP 27 -0.995 4.732 6.890
194 HE3 TRP 27 3HE TRP 27 -2.691 0.010 5.132
195 HZ2 TRP 27 2HZ TRP 27 -0.410 4.354 4.301
196 HZ3 TRP 27 3HZ TRP 27 -1.838 0.626 2.904
197 HH2 TRP 27 HH TRP 27 -0.858 2.824 2.618
198 H SER 28 H SER 28 -1.211 0.406 9.938
199 HA SER 28 HA SER 28 0.904 0.615 8.123
200 HB2 SER 28 2HB SER 28 2.202 1.445 9.972
201 HB3 SER 28 1HB SER 28 1.151 2.439 9.063
202 HG SER 28 HG SER 28 0.496 1.221 11.574
203 H LEU 29 H LEU 29 0.459 -1.805 10.588
204 HA LEU 29 HA LEU 29 3.185 -2.315 10.951
205 HB2 LEU 29 2HB LEU 29 1.219 -3.691 11.899
206 HB3 LEU 29 1HB LEU 29 1.196 -4.520 10.359
207 HG LEU 29 HG LEU 29 3.509 -5.288 10.732
208 HD11 LEU 29 1HD1 LEU 29 4.532 -5.043 12.930
209 HD12 LEU 29 2HD1 LEU 29 3.187 -4.028 13.450
210 HD13 LEU 29 3HD1 LEU 29 4.271 -3.472 12.174
211 HD21 LEU 29 3HD2 LEU 29 2.983 -6.922 12.471
212 HD22 LEU 29 1HD2 LEU 29 1.629 -6.706 11.362
213 HD23 LEU 29 2HD2 LEU 29 1.588 -5.958 12.958
214 H GLN 30 H GLN 30 1.097 -2.529 8.339
215 HA GLN 30 HA GLN 30 2.907 -3.928 6.569
216 HB2 GLN 30 2HB GLN 30 0.151 -2.853 5.797
217 HB3 GLN 30 1HB GLN 30 1.168 -3.938 4.927
218 HG2 GLN 30 2HG GLN 30 -0.787 -4.918 6.045
219 HG3 GLN 30 1HG GLN 30 0.727 -5.703 6.358
220 HE21 GLN 30 1HE2 GLN 30 0.147 -6.700 8.229
221 HE22 GLN 30 2HE2 GLN 30 -0.232 -5.864 9.689
222 H SER 31 H SER 31 1.419 -0.689 6.774
223 HA SER 31 HA SER 31 3.062 0.387 4.753
224 HB2 SER 31 2HB SER 31 2.192 2.610 5.461
225 HB3 SER 31 1HB SER 31 1.035 1.449 4.828
226 HG SER 31 HG SER 31 0.176 2.290 6.675
227 H LYS 32 H LYS 32 3.437 0.453 8.217
228 HA LYS 32 HA LYS 32 5.593 2.246 8.447
229 HB2 LYS 32 2HB LYS 32 5.140 -0.365 9.923
230 HB3 LYS 32 1HB LYS 32 6.320 0.847 10.381
231 HG2 LYS 32 2HG LYS 32 3.368 1.379 10.280
232 HG3 LYS 32 1HG LYS 32 4.203 0.788 11.718
233 HD2 LYS 32 2HD LYS 32 4.319 3.034 12.139
234 HD3 LYS 32 1HD LYS 32 5.770 2.887 11.145
235 HE2 LYS 32 2HE LYS 32 4.287 3.415 9.158
236 HE3 LYS 32 1HE LYS 32 3.046 3.860 10.325
237 HZ1 LYS 32 3HZ LYS 32 5.590 5.192 9.714
238 HZ2 LYS 32 1HZ LYS 32 4.927 5.359 11.272
239 HZ3 LYS 32 2HZ LYS 32 4.044 5.857 9.914
240 H LYS 33 H LYS 33 5.193 -0.442 6.668
241 HA LYS 33 HA LYS 33 8.029 -1.314 6.756
242 HB2 LYS 33 2HB LYS 33 5.646 -2.460 5.278
243 HB3 LYS 33 1HB LYS 33 7.287 -3.039 5.071
244 HG2 LYS 33 2HG LYS 33 7.350 -3.816 7.340
245 HG3 LYS 33 1HG LYS 33 5.774 -3.102 7.670
246 HD2 LYS 33 2HD LYS 33 4.728 -4.581 6.068
247 HD3 LYS 33 1HD LYS 33 6.294 -5.229 5.594
248 HE2 LYS 33 2HE LYS 33 5.342 -5.420 8.429
249 HE3 LYS 33 1HE LYS 33 4.811 -6.583 7.215
250 HZ1 LYS 33 3HZ LYS 33 7.177 -7.041 6.751
251 HZ2 LYS 33 1HZ LYS 33 6.718 -7.444 8.330
252 HZ3 LYS 33 2HZ LYS 33 7.608 -6.034 8.049
253 H ILE 34 H ILE 34 5.541 -0.408 4.442
254 HA ILE 34 HA ILE 34 7.412 -0.285 2.310
255 HB ILE 34 HB ILE 34 5.600 0.064 0.866
256 HG12 ILE 34 2HG1 ILE 34 3.492 0.553 2.974
257 HG13 ILE 34 1HG1 ILE 34 4.565 1.876 2.533
258 HG21 ILE 34 1HG2 ILE 34 5.662 -2.147 1.826
259 HG22 ILE 34 2HG2 ILE 34 3.991 -1.663 1.529
260 HG23 ILE 34 3HG2 ILE 34 4.642 -1.621 3.168
261 HD11 ILE 34 3HD1 ILE 34 2.515 1.844 1.198
262 HD12 ILE 34 1HD1 ILE 34 2.924 0.228 0.617
263 HD13 ILE 34 2HD1 ILE 34 3.943 1.603 0.190
264 H GLU 35 H GLU 35 6.519 1.972 4.665
265 HA GLU 35 HA GLU 35 6.731 4.373 3.197
266 HB2 GLU 35 2HB GLU 35 7.416 5.378 5.451
267 HB3 GLU 35 1HB GLU 35 5.820 4.663 5.314
268 HG2 GLU 35 2HG GLU 35 6.481 2.735 6.497
269 HG3 GLU 35 1HG GLU 35 8.186 3.204 6.448
270 H ASN 36 H ASN 36 9.175 2.254 4.495
271 HA ASN 36 HA ASN 36 11.254 4.234 4.015
272 HB2 ASN 36 2HB ASN 36 11.389 1.392 5.054
273 HB3 ASN 36 1HB ASN 36 12.805 2.406 4.800
274 HD21 ASN 36 1HD2 ASN 36 10.039 1.788 6.778
275 HD22 ASN 36 2HD2 ASN 36 10.436 2.897 8.042
276 H ASP 37 H ASP 37 9.486 2.699 2.043
277 HA ASP 37 HA ASP 37 11.657 2.048 0.171
278 HB2 ASP 37 2HB ASP 37 8.823 0.965 0.244
279 HB3 ASP 37 1HB ASP 37 10.018 0.591 -0.995
280 HA PRO 38 HA PRO 38 10.127 5.386 -2.341
281 HB2 PRO 38 2HB PRO 38 10.522 3.647 -4.697
282 HB3 PRO 38 1HB PRO 38 11.266 5.203 -4.316
283 HG2 PRO 38 2HG PRO 38 12.660 2.920 -4.178
284 HG3 PRO 38 1HG PRO 38 12.928 4.247 -3.031
285 HD2 PRO 38 2HD PRO 38 11.422 1.688 -2.652
286 HD3 PRO 38 1HD PRO 38 12.496 2.544 -1.526
287 H ASP 39 H ASP 39 8.714 2.398 -2.035
288 HA ASP 39 HA ASP 39 6.725 2.619 -4.077
289 HB2 ASP 39 2HB ASP 39 7.088 0.635 -1.840
290 HB3 ASP 39 1HB ASP 39 5.872 0.501 -3.110
291 H PHE 40 H PHE 40 6.810 3.255 -0.577
292 HA PHE 40 HA PHE 40 4.020 3.858 -0.343
293 HB2 PHE 40 2HB PHE 40 6.118 3.827 1.410
294 HB3 PHE 40 1HB PHE 40 5.900 5.552 1.184
295 HD1 PHE 40 2HD PHE 40 2.858 3.481 1.033
296 HD2 PHE 40 1HD PHE 40 5.465 5.670 3.583
297 HE1 PHE 40 2HE PHE 40 1.204 3.386 2.795
298 HE2 PHE 40 1HE PHE 40 3.784 5.564 5.361
299 HZ PHE 40 HZ PHE 40 1.679 4.377 4.959
300 H TYR 41 H TYR 41 6.812 5.527 -1.522
301 HA TYR 41 HA TYR 41 5.568 8.117 -1.613
302 HB2 TYR 41 2HB TYR 41 8.242 7.069 -2.520
303 HB3 TYR 41 1HB TYR 41 7.732 8.725 -2.813
304 HD1 TYR 41 2HD TYR 41 7.394 10.269 -0.937
305 HD2 TYR 41 1HD TYR 41 8.971 6.357 -0.297
306 HE1 TYR 41 2HE TYR 41 8.205 10.959 1.276
307 HE2 TYR 41 1HE TYR 41 9.787 7.049 1.911
308 HH TYR 41 HH TYR 41 8.851 9.998 3.390
309 H LYS 42 H LYS 42 5.028 5.496 -3.458
310 HA LYS 42 HA LYS 42 5.112 6.500 -6.099
311 HB2 LYS 42 2HB LYS 42 3.228 4.492 -4.845
312 HB3 LYS 42 1HB LYS 42 3.329 4.793 -6.571
313 HG2 LYS 42 2HG LYS 42 5.449 3.650 -4.779
314 HG3 LYS 42 1HG LYS 42 4.568 2.823 -6.060
315 HD2 LYS 42 2HD LYS 42 5.645 4.183 -7.739
316 HD3 LYS 42 1HD LYS 42 6.434 5.155 -6.493
317 HE2 LYS 42 2HE LYS 42 7.582 3.103 -5.698
318 HE3 LYS 42 1HE LYS 42 6.874 2.226 -7.050
319 HZ1 LYS 42 3HZ LYS 42 9.172 2.964 -7.435
320 HZ2 LYS 42 1HZ LYS 42 8.667 4.579 -7.335
321 HZ3 LYS 42 2HZ LYS 42 8.090 3.578 -8.580
322 H ILE 43 H ILE 43 2.676 6.610 -3.563
323 HA ILE 43 HA ILE 43 1.265 8.694 -5.077
324 HB ILE 43 HB ILE 43 0.268 7.038 -2.745
325 HG12 ILE 43 2HG1 ILE 43 -0.459 7.007 -5.686
326 HG13 ILE 43 1HG1 ILE 43 0.417 5.751 -4.822
327 HG21 ILE 43 1HG2 ILE 43 -0.671 9.273 -2.699
328 HG22 ILE 43 2HG2 ILE 43 -1.902 8.107 -3.190
329 HG23 ILE 43 3HG2 ILE 43 -1.129 9.138 -4.398
330 HD11 ILE 43 3HD1 ILE 43 -1.907 5.144 -5.197
331 HD12 ILE 43 1HD1 ILE 43 -2.432 6.570 -4.307
332 HD13 ILE 43 2HD1 ILE 43 -1.551 5.286 -3.477
333 H ARG 44 H ARG 44 1.498 10.706 -4.417
334 HA ARG 44 HA ARG 44 3.348 11.373 -2.412
335 HB2 ARG 44 2HB ARG 44 2.689 13.713 -2.882
336 HB3 ARG 44 1HB ARG 44 3.045 12.788 -4.335
337 HG2 ARG 44 2HG ARG 44 0.600 12.437 -4.632
338 HG3 ARG 44 1HG ARG 44 0.328 13.525 -3.271
339 HD2 ARG 44 2HD ARG 44 0.089 14.735 -5.348
340 HD3 ARG 44 1HD ARG 44 1.518 15.306 -4.487
341 HE ARG 44 HE ARG 44 2.878 14.051 -6.052
342 HH11 ARG 44 1HH1 ARG 44 -0.502 14.447 -6.913
343 HH12 ARG 44 2HH1 ARG 44 -0.231 14.200 -8.612
344 HH21 ARG 44 1HH2 ARG 44 3.228 13.724 -8.288
345 HH22 ARG 44 2HH2 ARG 44 1.889 13.792 -9.390
346 H ASP 45 H ASP 45 -0.131 11.068 -2.298
347 HA ASP 45 HA ASP 45 -0.137 12.231 0.393
348 HB2 ASP 45 2HB ASP 45 -2.631 12.168 0.159
349 HB3 ASP 45 1HB ASP 45 -1.815 13.214 -1.000
350 H ASP 46 H ASP 46 -0.674 11.111 2.156
351 HA ASP 46 HA ASP 46 -0.453 8.220 1.988
352 HB2 ASP 46 2HB ASP 46 0.685 9.719 3.709
353 HB3 ASP 46 1HB ASP 46 -0.896 9.915 4.456
354 H THR 47 H THR 47 -2.965 10.521 2.161
355 HA THR 47 HA THR 47 -4.848 9.118 3.731
356 HB THR 47 HB THR 47 -5.009 11.538 3.292
357 HG1 THR 47 1HG THR 47 -6.921 10.010 3.667
358 HG21 THR 47 3HG2 THR 47 -5.912 12.349 1.164
359 HG22 THR 47 1HG2 THR 47 -5.831 10.715 0.507
360 HG23 THR 47 2HG2 THR 47 -4.347 11.565 0.941
361 H VAL 48 H VAL 48 -3.876 8.779 0.440
362 HA VAL 48 HA VAL 48 -6.190 7.117 -0.175
363 HB VAL 48 HB VAL 48 -3.948 8.215 -1.861
364 HG11 VAL 48 1HG1 VAL 48 -6.022 6.187 -2.710
365 HG12 VAL 48 2HG1 VAL 48 -4.283 5.913 -2.606
366 HG13 VAL 48 3HG1 VAL 48 -4.929 7.046 -3.793
367 HG21 VAL 48 3HG2 VAL 48 -5.806 9.209 -3.109
368 HG22 VAL 48 1HG2 VAL 48 -5.839 9.680 -1.409
369 HG23 VAL 48 2HG2 VAL 48 -6.951 8.447 -2.006
370 H ARG 49 H ARG 49 -2.809 6.885 0.604
371 HA ARG 49 HA ARG 49 -2.095 4.415 -0.457
372 HB2 ARG 49 2HB ARG 49 -1.240 5.612 2.180
373 HB3 ARG 49 1HB ARG 49 -0.425 4.297 1.380
374 HG2 ARG 49 2HG ARG 49 0.096 5.758 -0.498
375 HG3 ARG 49 1HG ARG 49 -0.750 7.055 0.335
376 HD2 ARG 49 2HD ARG 49 0.827 6.808 2.228
377 HD3 ARG 49 1HD ARG 49 1.724 5.641 1.266
378 HE ARG 49 HE ARG 49 1.781 7.695 -0.378
379 HH11 ARG 49 1HH1 ARG 49 2.149 7.690 3.102
380 HH12 ARG 49 2HH1 ARG 49 3.246 9.038 3.112
381 HH21 ARG 49 1HH2 ARG 49 3.188 9.473 -0.379
382 HH22 ARG 49 2HH2 ARG 49 3.826 10.072 1.121
383 H GLU 50 H GLU 50 -3.598 5.064 2.722
384 HA GLU 50 HA GLU 50 -3.530 2.234 3.161
385 HB2 GLU 50 2HB GLU 50 -5.028 3.206 5.157
386 HB3 GLU 50 1HB GLU 50 -3.418 2.777 5.242
387 HG2 GLU 50 2HG GLU 50 -3.811 4.752 6.249
388 HG3 GLU 50 1HG GLU 50 -2.725 4.995 5.010
389 H SER 51 H SER 51 -5.936 4.545 2.190
390 HA SER 51 HA SER 51 -8.135 2.778 2.226
391 HB2 SER 51 2HB SER 51 -7.494 4.891 0.138
392 HB3 SER 51 1HB SER 51 -9.081 4.187 0.444
393 HG SER 51 HG SER 51 -7.659 6.094 1.891
394 H LEU 52 H LEU 52 -5.245 2.450 0.655
395 HA LEU 52 HA LEU 52 -6.031 1.319 -1.736
396 HB2 LEU 52 2HB LEU 52 -3.481 1.413 -0.318
397 HB3 LEU 52 1HB LEU 52 -3.610 0.658 -1.848
398 HG LEU 52 HG LEU 52 -4.091 3.562 -1.228
399 HD11 LEU 52 1HD1 LEU 52 -1.782 2.983 -1.558
400 HD12 LEU 52 2HD1 LEU 52 -2.381 3.984 -2.882
401 HD13 LEU 52 3HD1 LEU 52 -2.174 2.248 -3.112
402 HD21 LEU 52 3HD2 LEU 52 -4.686 3.892 -3.570
403 HD22 LEU 52 1HD2 LEU 52 -5.838 2.853 -2.735
404 HD23 LEU 52 2HD2 LEU 52 -4.642 2.147 -3.820
405 H PHE 53 H PHE 53 -4.987 0.289 0.974
406 HA PHE 53 HA PHE 53 -4.128 -2.248 0.235
407 HB2 PHE 53 2HB PHE 53 -2.926 -1.179 1.678
408 HB3 PHE 53 1HB PHE 53 -4.222 0.054 1.711
409 HD1 PHE 53 2HD PHE 53 -5.757 -0.022 3.548
410 HD2 PHE 53 1HD PHE 53 -2.592 -2.793 3.355
411 HE1 PHE 53 2HE PHE 53 -6.150 -0.597 5.930
412 HE2 PHE 53 1HE PHE 53 -2.938 -3.402 5.730
413 HZ PHE 53 HZ PHE 53 -4.728 -2.292 7.019
414 H GLU 54 H GLU 54 -6.726 -0.733 1.951
415 HA GLU 54 HA GLU 54 -8.131 -2.976 2.942
416 HB2 GLU 54 2HB GLU 54 -9.756 -0.740 1.865
417 HB3 GLU 54 1HB GLU 54 -9.827 -1.524 3.435
418 HG2 GLU 54 2HG GLU 54 -7.703 -0.329 4.009
419 HG3 GLU 54 1HG GLU 54 -7.920 0.579 2.509
420 H GLU 55 H GLU 55 -8.263 -1.302 -0.158
421 HA GLU 55 HA GLU 55 -10.294 -2.883 -1.327
422 HB2 GLU 55 2HB GLU 55 -8.086 -1.200 -2.497
423 HB3 GLU 55 1HB GLU 55 -9.211 -2.084 -3.518
424 HG2 GLU 55 2HG GLU 55 -10.035 -0.053 -1.458
425 HG3 GLU 55 1HG GLU 55 -9.798 0.297 -3.170
426 H TRP 56 H TRP 56 -6.754 -3.104 -1.590
427 HA TRP 56 HA TRP 56 -6.797 -5.417 -3.196
428 HB2 TRP 56 2HB TRP 56 -4.954 -4.158 -3.471
429 HB3 TRP 56 1HB TRP 56 -4.717 -3.973 -1.747
430 HD1 TRP 56 HD TRP 56 -4.020 -6.597 -4.302
431 HE1 TRP 56 1HE TRP 56 -2.295 -8.249 -3.396
432 HE3 TRP 56 3HE TRP 56 -3.505 -4.192 -0.619
433 HZ2 TRP 56 2HZ TRP 56 -0.700 -8.200 -1.105
434 HZ3 TRP 56 3HZ TRP 56 -1.782 -4.610 0.522
435 HH2 TRP 56 HH TRP 56 -0.404 -6.570 0.694
436 H CYS 57 H CYS 57 -7.186 -4.897 0.023
437 HA CYS 57 HA CYS 57 -6.262 -7.270 1.233
438 HB2 CYS 57 2HB CYS 57 -6.887 -5.330 2.565
439 HB3 CYS 57 1HB CYS 57 -8.546 -5.420 1.992
440 HG CYS 57 HG CYS 57 -7.894 -6.338 4.757
441 H GLY 58 H GLY 58 -9.481 -6.266 0.054
442 HA2 GLY 58 2HA GLY 58 -10.372 -9.078 0.085
443 HA3 GLY 58 1HA GLY 58 -11.424 -7.667 -0.014
444 H GLU 59 H GLU 59 -8.496 -8.021 -1.789
445 HA GLU 59 HA GLU 59 -9.980 -7.666 -4.267
446 HB2 GLU 59 2HB GLU 59 -7.815 -6.352 -3.212
447 HB3 GLU 59 1HB GLU 59 -7.031 -7.562 -4.250
448 HG2 GLU 59 2HG GLU 59 -9.077 -5.540 -5.143
449 HG3 GLU 59 1HG GLU 59 -7.344 -5.491 -5.463
Start of MODEL 4
1 H1 ASP 5 H ASP 5 -6.303 7.413 -11.012
2 HA ASP 5 HA ASP 5 -8.954 8.017 -10.304
3 HB2 ASP 5 2HB ASP 5 -8.916 9.231 -12.507
4 HB3 ASP 5 1HB ASP 5 -8.591 7.689 -13.295
5 H ILE 6 H ILE 6 -8.427 6.173 -9.144
6 HA ILE 6 HA ILE 6 -7.827 4.022 -8.720
7 HB ILE 6 HB ILE 6 -9.522 2.389 -9.503
8 HG12 ILE 6 2HG1 ILE 6 -10.836 4.857 -10.664
9 HG13 ILE 6 1HG1 ILE 6 -10.203 3.505 -11.594
10 HG21 ILE 6 1HG2 ILE 6 -9.666 3.504 -7.368
11 HG22 ILE 6 2HG2 ILE 6 -11.280 3.336 -8.059
12 HG23 ILE 6 3HG2 ILE 6 -10.454 4.894 -8.115
13 HD11 ILE 6 3HD1 ILE 6 -12.616 3.394 -11.409
14 HD12 ILE 6 1HD1 ILE 6 -12.495 3.391 -9.649
15 HD13 ILE 6 2HD1 ILE 6 -11.861 2.033 -10.579
16 H ASP 7 H ASP 7 -5.958 3.613 -9.514
17 HA ASP 7 HA ASP 7 -5.631 1.832 -11.582
18 HB2 ASP 7 2HB ASP 7 -5.788 3.636 -13.107
19 HB3 ASP 7 1HB ASP 7 -4.678 4.550 -12.092
20 H GLU 8 H GLU 8 -4.351 4.009 -10.231
21 HA GLU 8 HA GLU 8 -1.706 3.134 -9.610
22 HB2 GLU 8 2HB GLU 8 -1.434 5.144 -8.296
23 HB3 GLU 8 1HB GLU 8 -2.288 5.540 -9.775
24 HG2 GLU 8 2HG GLU 8 -3.505 5.232 -7.038
25 HG3 GLU 8 1HG GLU 8 -3.219 6.744 -7.897
26 H ARG 9 H ARG 9 -4.749 2.885 -7.994
27 HA ARG 9 HA ARG 9 -3.970 2.217 -5.401
28 HB2 ARG 9 2HB ARG 9 -6.137 1.176 -5.196
29 HB3 ARG 9 1HB ARG 9 -6.307 2.587 -6.222
30 HG2 ARG 9 2HG ARG 9 -6.371 1.190 -8.199
31 HG3 ARG 9 1HG ARG 9 -6.122 -0.245 -7.210
32 HD2 ARG 9 2HD ARG 9 -8.241 0.345 -6.005
33 HD3 ARG 9 1HD ARG 9 -8.514 1.586 -7.227
34 HE ARG 9 HE ARG 9 -8.486 -0.309 -8.867
35 HH11 ARG 9 1HH1 ARG 9 -9.377 -0.783 -5.511
36 HH12 ARG 9 2HH1 ARG 9 -10.260 -2.261 -5.824
37 HH21 ARG 9 1HH2 ARG 9 -9.667 -2.231 -9.291
38 HH22 ARG 9 2HH2 ARG 9 -10.448 -3.067 -7.975
39 H ASN 10 H ASN 10 -4.399 0.085 -8.208
40 HA ASN 10 HA ASN 10 -3.774 -2.324 -6.820
41 HB2 ASN 10 2HB ASN 10 -3.770 -1.627 -9.772
42 HB3 ASN 10 1HB ASN 10 -3.389 -3.239 -9.171
43 HD21 ASN 10 1HD2 ASN 10 -5.865 -0.848 -9.585
44 HD22 ASN 10 2HD2 ASN 10 -7.206 -1.872 -9.203
45 H ILE 11 H ILE 11 -1.835 0.216 -7.998
46 HA ILE 11 HA ILE 11 0.589 -1.182 -8.232
47 HB ILE 11 HB ILE 11 -0.094 1.683 -7.698
48 HG12 ILE 11 2HG1 ILE 11 1.314 2.004 -9.731
49 HG13 ILE 11 1HG1 ILE 11 1.547 0.263 -9.806
50 HG21 ILE 11 1HG2 ILE 11 2.283 2.269 -7.558
51 HG22 ILE 11 2HG2 ILE 11 2.695 0.555 -7.497
52 HG23 ILE 11 3HG2 ILE 11 1.765 1.285 -6.188
53 HD11 ILE 11 3HD1 ILE 11 -0.140 0.986 -11.377
54 HD12 ILE 11 1HD1 ILE 11 -1.073 1.712 -10.070
55 HD13 ILE 11 2HD1 ILE 11 -0.854 -0.036 -10.128
56 H PHE 12 H PHE 12 -1.088 0.242 -5.382
57 HA PHE 12 HA PHE 12 1.197 -0.257 -3.722
58 HB2 PHE 12 2HB PHE 12 -1.516 0.837 -3.318
59 HB3 PHE 12 1HB PHE 12 -0.758 0.124 -1.900
60 HD1 PHE 12 2HD PHE 12 0.588 2.116 -4.753
61 HD2 PHE 12 1HD PHE 12 0.020 1.932 -0.514
62 HE1 PHE 12 2HE PHE 12 1.842 4.200 -4.483
63 HE2 PHE 12 1HE PHE 12 1.290 4.007 -0.265
64 HZ PHE 12 HZ PHE 12 2.195 5.150 -2.243
65 H PHE 13 H PHE 13 -2.068 -1.835 -3.674
66 HA PHE 13 HA PHE 13 -1.920 -4.418 -2.403
67 HB2 PHE 13 2HB PHE 13 -2.234 -4.303 -5.077
68 HB3 PHE 13 1HB PHE 13 -3.151 -5.029 -4.000
69 HD1 PHE 13 2HD PHE 13 -3.304 -1.859 -2.829
70 HD2 PHE 13 1HD PHE 13 -4.615 -4.200 -6.133
71 HE1 PHE 13 2HE PHE 13 -5.289 -0.420 -3.083
72 HE2 PHE 13 1HE PHE 13 -6.609 -2.795 -6.353
73 HZ PHE 13 HZ PHE 13 -6.952 -0.916 -4.828
74 H GLU 14 H GLU 14 -0.393 -3.398 -5.580
75 HA GLU 14 HA GLU 14 0.784 -5.933 -6.088
76 HB2 GLU 14 2HB GLU 14 0.297 -4.029 -7.745
77 HB3 GLU 14 1HB GLU 14 1.788 -3.305 -7.179
78 HG2 GLU 14 2HG GLU 14 1.716 -6.094 -8.268
79 HG3 GLU 14 1HG GLU 14 1.855 -4.689 -9.320
80 H LEU 15 H LEU 15 2.177 -2.843 -5.045
81 HA LEU 15 HA LEU 15 4.677 -3.756 -4.165
82 HB2 LEU 15 2HB LEU 15 3.119 -1.766 -2.550
83 HB3 LEU 15 1HB LEU 15 4.828 -1.786 -2.910
84 HG LEU 15 HG LEU 15 2.679 -1.143 -4.895
85 HD11 LEU 15 1HD1 LEU 15 4.473 0.695 -3.336
86 HD12 LEU 15 2HD1 LEU 15 2.727 0.530 -3.161
87 HD13 LEU 15 3HD1 LEU 15 3.406 1.180 -4.651
88 HD21 LEU 15 3HD2 LEU 15 4.533 -0.293 -6.260
89 HD22 LEU 15 1HD2 LEU 15 4.714 -2.016 -5.921
90 HD23 LEU 15 2HD2 LEU 15 5.679 -0.835 -5.032
91 H PHE 16 H PHE 16 1.399 -4.109 -2.862
92 HA PHE 16 HA PHE 16 2.329 -4.433 -0.191
93 HB2 PHE 16 2HB PHE 16 -0.115 -4.322 -1.796
94 HB3 PHE 16 1HB PHE 16 -0.239 -4.929 -0.201
95 HD1 PHE 16 1HD PHE 16 2.007 -2.397 0.227
96 HD2 PHE 16 2HD PHE 16 -2.154 -2.953 -0.827
97 HE1 PHE 16 1HE PHE 16 1.453 -0.134 1.032
98 HE2 PHE 16 2HE PHE 16 -2.625 -0.722 -0.014
99 HZ PHE 16 HZ PHE 16 -0.877 0.681 0.892
100 H ASP 17 H ASP 17 1.440 -6.336 -2.966
101 HA ASP 17 HA ASP 17 1.647 -8.862 -1.608
102 HB2 ASP 17 2HB ASP 17 0.334 -8.536 -3.713
103 HB3 ASP 17 1HB ASP 17 1.848 -8.311 -4.571
104 H ARG 18 H ARG 18 3.610 -6.943 -3.745
105 HA ARG 18 HA ARG 18 5.834 -8.549 -4.052
106 HB2 ARG 18 2HB ARG 18 5.432 -6.424 -5.235
107 HB3 ARG 18 1HB ARG 18 5.767 -5.541 -3.758
108 HG2 ARG 18 2HG ARG 18 8.056 -6.246 -3.792
109 HG3 ARG 18 1HG ARG 18 7.746 -7.322 -5.156
110 HD2 ARG 18 2HD ARG 18 7.561 -4.313 -5.154
111 HD3 ARG 18 1HD ARG 18 8.802 -5.292 -5.937
112 HE ARG 18 HE ARG 18 5.951 -5.355 -6.729
113 HH11 ARG 18 1HH1 ARG 18 9.366 -5.294 -7.530
114 HH12 ARG 18 2HH1 ARG 18 9.087 -5.460 -9.242
115 HH21 ARG 18 1HH2 ARG 18 5.586 -5.548 -8.946
116 HH22 ARG 18 2HH2 ARG 18 6.932 -5.583 -10.047
117 H TYR 19 H TYR 19 4.851 -6.649 -1.304
118 HA TYR 19 HA TYR 19 7.384 -7.285 0.052
119 HB2 TYR 19 2HB TYR 19 5.282 -5.186 0.553
120 HB3 TYR 19 1HB TYR 19 6.450 -5.621 1.791
121 HD1 TYR 19 2HD TYR 19 8.274 -6.061 -1.056
122 HD2 TYR 19 1HD TYR 19 6.484 -2.899 1.162
123 HE1 TYR 19 2HE TYR 19 9.917 -4.482 -1.975
124 HE2 TYR 19 1HE TYR 19 8.114 -1.322 0.245
125 HH TYR 19 HH TYR 19 10.183 -1.212 -0.768
126 H LYS 20 H LYS 20 4.365 -8.472 -0.341
127 HA LYS 20 HA LYS 20 2.873 -9.740 0.804
128 HB2 LYS 20 2HB LYS 20 5.427 -10.552 2.105
129 HB3 LYS 20 1HB LYS 20 3.912 -11.302 2.536
130 HG2 LYS 20 2HG LYS 20 4.848 -12.768 0.994
131 HG3 LYS 20 1HG LYS 20 3.676 -11.850 0.052
132 HD2 LYS 20 2HD LYS 20 5.564 -10.367 -0.673
133 HD3 LYS 20 1HD LYS 20 6.668 -11.498 0.112
134 HE2 LYS 20 2HE LYS 20 6.523 -11.987 -2.256
135 HE3 LYS 20 1HE LYS 20 5.809 -13.301 -1.323
136 HZ1 LYS 20 3HZ LYS 20 4.411 -12.780 -3.199
137 HZ2 LYS 20 1HZ LYS 20 4.337 -11.149 -2.747
138 HZ3 LYS 20 2HZ LYS 20 3.607 -12.331 -1.777
139 H LEU 21 H LEU 21 1.907 -7.836 1.653
140 HA LEU 21 HA LEU 21 2.579 -7.037 4.364
141 HB2 LEU 21 2HB LEU 21 0.345 -6.277 2.498
142 HB3 LEU 21 1HB LEU 21 0.544 -5.617 4.101
143 HG LEU 21 HG LEU 21 1.260 -4.299 2.046
144 HD11 LEU 21 1HD1 LEU 21 1.657 -3.528 4.285
145 HD12 LEU 21 2HD1 LEU 21 3.064 -3.192 3.277
146 HD13 LEU 21 3HD1 LEU 21 3.089 -4.548 4.406
147 HD21 LEU 21 3HD2 LEU 21 3.643 -4.468 1.478
148 HD22 LEU 21 1HD2 LEU 21 2.735 -5.900 0.991
149 HD23 LEU 21 2HD2 LEU 21 3.744 -5.944 2.437
150 H ASP 22 H ASP 22 0.987 -6.946 5.975
151 HA ASP 22 HA ASP 22 -0.920 -9.169 5.909
152 HB2 ASP 22 2HB ASP 22 0.009 -7.357 8.148
153 HB3 ASP 22 1HB ASP 22 -1.228 -8.600 8.354
154 H LYS 23 H LYS 23 -2.272 -8.434 4.559
155 HA LYS 23 HA LYS 23 -2.928 -5.710 4.251
156 HB2 LYS 23 2HB LYS 23 -3.238 -7.921 2.719
157 HB3 LYS 23 1HB LYS 23 -4.903 -7.557 3.173
158 HG2 LYS 23 2HG LYS 23 -3.145 -6.169 1.313
159 HG3 LYS 23 1HG LYS 23 -4.905 -6.016 1.562
160 HD2 LYS 23 2HD LYS 23 -4.224 -3.915 2.128
161 HD3 LYS 23 1HD LYS 23 -4.081 -4.689 3.708
162 HE2 LYS 23 2HE LYS 23 -1.646 -5.241 2.558
163 HE3 LYS 23 1HE LYS 23 -2.014 -3.630 1.930
164 HZ1 LYS 23 3HZ LYS 23 -0.803 -3.500 4.007
165 HZ2 LYS 23 1HZ LYS 23 -2.014 -4.375 4.802
166 HZ3 LYS 23 2HZ LYS 23 -2.350 -2.840 4.178
167 H PHE 24 H PHE 24 -4.409 -8.254 6.159
168 HA PHE 24 HA PHE 24 -6.734 -6.546 6.688
169 HB2 PHE 24 2HB PHE 24 -7.742 -8.622 7.661
170 HB3 PHE 24 1HB PHE 24 -7.356 -8.736 5.948
171 HD1 PHE 24 1HD PHE 24 -6.470 -9.883 9.315
172 HD2 PHE 24 2HD PHE 24 -5.641 -10.223 5.154
173 HE1 PHE 24 1HE PHE 24 -5.177 -11.932 9.744
174 HE2 PHE 24 2HE PHE 24 -4.349 -12.271 5.575
175 HZ PHE 24 HZ PHE 24 -4.115 -13.131 7.872
176 H SER 25 H SER 25 -3.827 -6.782 8.038
177 HA SER 25 HA SER 25 -4.694 -7.183 10.786
178 HB2 SER 25 2HB SER 25 -2.574 -8.193 10.031
179 HB3 SER 25 1HB SER 25 -1.927 -6.590 9.701
180 HG SER 25 HG SER 25 -2.889 -6.756 12.233
181 H THR 26 H THR 26 -2.393 -4.730 9.634
182 HA THR 26 HA THR 26 -4.130 -2.579 10.651
183 HB THR 26 HB THR 26 -1.742 -1.557 11.358
184 HG1 THR 26 1HG THR 26 -1.211 -3.862 12.665
185 HG21 THR 26 3HG2 THR 26 -2.330 -2.103 13.695
186 HG22 THR 26 1HG2 THR 26 -3.478 -3.317 13.131
187 HG23 THR 26 2HG2 THR 26 -3.748 -1.613 12.770
188 H TRP 27 H TRP 27 -3.745 -0.676 9.854
189 HA TRP 27 HA TRP 27 -2.910 -0.662 7.134
190 HB2 TRP 27 2HB TRP 27 -4.415 1.077 7.634
191 HB3 TRP 27 1HB TRP 27 -3.561 1.510 9.115
192 HD1 TRP 27 HD TRP 27 -2.513 3.853 8.708
193 HE1 TRP 27 1HE TRP 27 -1.278 5.097 6.929
194 HE3 TRP 27 3HE TRP 27 -2.926 0.392 5.172
195 HZ2 TRP 27 2HZ TRP 27 -0.644 4.705 4.309
196 HZ3 TRP 27 3HZ TRP 27 -2.060 0.966 2.946
197 HH2 TRP 27 HH TRP 27 -1.100 3.157 2.646
198 H SER 28 H SER 28 -1.501 0.667 10.118
199 HA SER 28 HA SER 28 0.718 1.366 8.545
200 HB2 SER 28 2HB SER 28 1.785 1.955 10.567
201 HB3 SER 28 1HB SER 28 0.612 3.000 9.874
202 HG SER 28 HG SER 28 0.357 2.741 12.195
203 H LEU 29 H LEU 29 0.216 -1.406 10.600
204 HA LEU 29 HA LEU 29 2.937 -1.937 11.036
205 HB2 LEU 29 2HB LEU 29 1.048 -3.448 11.745
206 HB3 LEU 29 1HB LEU 29 0.862 -3.948 10.077
207 HG LEU 29 HG LEU 29 3.164 -4.876 10.129
208 HD11 LEU 29 1HD1 LEU 29 4.090 -3.482 11.897
209 HD12 LEU 29 2HD1 LEU 29 4.262 -5.193 12.289
210 HD13 LEU 29 3HD1 LEU 29 3.006 -4.232 13.071
211 HD21 LEU 29 3HD2 LEU 29 2.601 -6.830 11.491
212 HD22 LEU 29 1HD2 LEU 29 1.230 -6.306 10.513
213 HD23 LEU 29 2HD2 LEU 29 1.279 -5.930 12.236
214 H GLN 30 H GLN 30 0.955 -1.767 8.314
215 HA GLN 30 HA GLN 30 2.893 -2.817 6.422
216 HB2 GLN 30 2HB GLN 30 0.241 -1.495 5.867
217 HB3 GLN 30 1HB GLN 30 1.224 -2.410 4.732
218 HG2 GLN 30 2HG GLN 30 -0.589 -3.352 6.821
219 HG3 GLN 30 1HG GLN 30 -0.231 -4.046 5.286
220 HE21 GLN 30 1HE2 GLN 30 -0.408 -5.142 8.062
221 HE22 GLN 30 2HE2 GLN 30 1.064 -6.025 8.282
222 H SER 31 H SER 31 1.323 0.295 7.060
223 HA SER 31 HA SER 31 2.994 1.715 5.306
224 HB2 SER 31 2HB SER 31 1.914 3.774 6.324
225 HB3 SER 31 1HB SER 31 0.950 2.686 5.323
226 HG SER 31 HG SER 31 -0.150 3.157 7.219
227 H LYS 32 H LYS 32 3.111 1.369 8.751
228 HA LYS 32 HA LYS 32 5.180 3.282 9.158
229 HB2 LYS 32 2HB LYS 32 4.901 2.712 11.323
230 HB3 LYS 32 1HB LYS 32 3.598 1.681 10.782
231 HG2 LYS 32 2HG LYS 32 6.423 0.872 11.467
232 HG3 LYS 32 1HG LYS 32 4.932 0.455 12.307
233 HD2 LYS 32 2HD LYS 32 4.225 -0.875 10.379
234 HD3 LYS 32 1HD LYS 32 5.758 -0.511 9.583
235 HE2 LYS 32 2HE LYS 32 5.399 -1.983 12.192
236 HE3 LYS 32 1HE LYS 32 5.844 -2.698 10.644
237 HZ1 LYS 32 3HZ LYS 32 7.874 -1.320 10.685
238 HZ2 LYS 32 1HZ LYS 32 7.791 -2.410 11.983
239 HZ3 LYS 32 2HZ LYS 32 7.453 -0.768 12.235
240 H LYS 33 H LYS 33 4.895 0.557 7.438
241 HA LYS 33 HA LYS 33 7.740 -0.229 7.703
242 HB2 LYS 33 2HB LYS 33 6.435 -2.154 8.077
243 HB3 LYS 33 1HB LYS 33 5.332 -1.770 6.764
244 HG2 LYS 33 2HG LYS 33 6.865 -2.441 5.125
245 HG3 LYS 33 1HG LYS 33 8.219 -2.400 6.253
246 HD2 LYS 33 2HD LYS 33 7.477 -4.696 5.674
247 HD3 LYS 33 1HD LYS 33 7.395 -4.345 7.399
248 HE2 LYS 33 2HE LYS 33 5.003 -3.992 7.242
249 HE3 LYS 33 1HE LYS 33 5.059 -4.234 5.495
250 HZ1 LYS 33 3HZ LYS 33 6.115 -6.354 7.223
251 HZ2 LYS 33 1HZ LYS 33 5.341 -6.471 5.725
252 HZ3 LYS 33 2HZ LYS 33 4.431 -6.182 7.125
253 H ILE 34 H ILE 34 5.242 0.109 5.164
254 HA ILE 34 HA ILE 34 7.230 0.324 3.114
255 HB ILE 34 HB ILE 34 5.483 0.621 1.543
256 HG12 ILE 34 2HG1 ILE 34 3.286 0.919 3.624
257 HG13 ILE 34 1HG1 ILE 34 4.188 2.315 3.059
258 HG21 ILE 34 1HG2 ILE 34 4.550 -1.258 3.697
259 HG22 ILE 34 2HG2 ILE 34 5.679 -1.615 2.389
260 HG23 ILE 34 3HG2 ILE 34 3.988 -1.263 2.024
261 HD11 ILE 34 3HD1 ILE 34 2.127 1.965 1.815
262 HD12 ILE 34 1HD1 ILE 34 2.676 0.357 1.346
263 HD13 ILE 34 2HD1 ILE 34 3.535 1.784 0.767
264 H GLU 35 H GLU 35 6.253 2.332 5.439
265 HA GLU 35 HA GLU 35 5.845 4.849 4.704
266 HB2 GLU 35 2HB GLU 35 6.225 4.146 7.003
267 HB3 GLU 35 1HB GLU 35 7.942 3.949 6.679
268 HG2 GLU 35 2HG GLU 35 6.977 6.569 5.979
269 HG3 GLU 35 1HG GLU 35 6.707 6.197 7.681
270 H ASN 36 H ASN 36 9.229 4.091 5.309
271 HA ASN 36 HA ASN 36 10.061 6.195 3.551
272 HB2 ASN 36 2HB ASN 36 12.353 5.601 4.278
273 HB3 ASN 36 1HB ASN 36 11.257 5.880 5.626
274 HD21 ASN 36 1HD2 ASN 36 10.667 4.178 6.943
275 HD22 ASN 36 2HD2 ASN 36 11.498 2.657 6.909
276 H ASP 37 H ASP 37 8.884 3.473 2.578
277 HA ASP 37 HA ASP 37 10.947 2.692 0.693
278 HB2 ASP 37 2HB ASP 37 8.107 1.795 1.170
279 HB3 ASP 37 1HB ASP 37 8.988 1.288 -0.268
280 HA PRO 38 HA PRO 38 10.045 5.781 -2.280
281 HB2 PRO 38 2HB PRO 38 10.629 4.389 -4.580
282 HB3 PRO 38 1HB PRO 38 11.840 5.121 -3.524
283 HG2 PRO 38 2HG PRO 38 10.919 2.282 -3.673
284 HG3 PRO 38 1HG PRO 38 12.561 2.918 -3.460
285 HD2 PRO 38 2HD PRO 38 11.137 1.946 -1.395
286 HD3 PRO 38 1HD PRO 38 12.244 3.319 -1.200
287 H ASP 39 H ASP 39 8.484 2.711 -2.333
288 HA ASP 39 HA ASP 39 6.676 3.344 -4.477
289 HB2 ASP 39 2HB ASP 39 5.575 1.164 -3.617
290 HB3 ASP 39 1HB ASP 39 7.144 1.090 -4.406
291 H PHE 40 H PHE 40 6.539 3.521 -0.950
292 HA PHE 40 HA PHE 40 3.799 4.070 -0.617
293 HB2 PHE 40 2HB PHE 40 5.861 3.941 1.051
294 HB3 PHE 40 1HB PHE 40 5.887 5.672 0.815
295 HD1 PHE 40 1HD PHE 40 2.616 3.822 1.092
296 HD2 PHE 40 2HD PHE 40 5.600 6.112 3.091
297 HE1 PHE 40 1HE PHE 40 1.186 3.985 3.030
298 HE2 PHE 40 2HE PHE 40 4.135 6.278 5.044
299 HZ PHE 40 HZ PHE 40 1.953 5.170 5.016
300 H TYR 41 H TYR 41 6.437 5.919 -1.914
301 HA TYR 41 HA TYR 41 5.009 8.428 -1.964
302 HB2 TYR 41 2HB TYR 41 7.724 7.592 -2.975
303 HB3 TYR 41 1HB TYR 41 7.073 9.211 -3.206
304 HD1 TYR 41 1HD TYR 41 6.781 10.717 -1.309
305 HD2 TYR 41 2HD TYR 41 8.496 6.856 -0.800
306 HE1 TYR 41 1HE TYR 41 7.626 11.390 0.899
307 HE2 TYR 41 2HE TYR 41 9.345 7.520 1.412
308 HH TYR 41 HH TYR 41 9.967 9.689 2.571
309 H LYS 42 H LYS 42 4.688 5.746 -3.805
310 HA LYS 42 HA LYS 42 4.632 6.748 -6.445
311 HB2 LYS 42 2HB LYS 42 3.487 4.425 -5.023
312 HB3 LYS 42 1HB LYS 42 2.610 4.926 -6.459
313 HG2 LYS 42 2HG LYS 42 4.348 3.137 -6.776
314 HG3 LYS 42 1HG LYS 42 4.458 4.523 -7.857
315 HD2 LYS 42 2HD LYS 42 6.281 5.433 -6.595
316 HD3 LYS 42 1HD LYS 42 6.078 4.215 -5.335
317 HE2 LYS 42 2HE LYS 42 7.974 3.724 -6.834
318 HE3 LYS 42 1HE LYS 42 6.741 2.465 -6.861
319 HZ1 LYS 42 3HZ LYS 42 7.597 3.071 -9.079
320 HZ2 LYS 42 1HZ LYS 42 6.961 4.630 -8.886
321 HZ3 LYS 42 2HZ LYS 42 5.923 3.290 -8.939
322 H ILE 43 H ILE 43 2.409 6.919 -3.776
323 HA ILE 43 HA ILE 43 0.737 8.768 -5.335
324 HB ILE 43 HB ILE 43 -0.037 7.268 -2.821
325 HG12 ILE 43 2HG1 ILE 43 -0.753 6.800 -5.727
326 HG13 ILE 43 1HG1 ILE 43 0.135 5.715 -4.669
327 HG21 ILE 43 1HG2 ILE 43 -2.292 8.105 -3.295
328 HG22 ILE 43 2HG2 ILE 43 -1.660 9.019 -4.665
329 HG23 ILE 43 3HG2 ILE 43 -1.150 9.421 -3.025
330 HD11 ILE 43 3HD1 ILE 43 -2.754 6.491 -4.379
331 HD12 ILE 43 1HD1 ILE 43 -1.866 5.404 -3.312
332 HD13 ILE 43 2HD1 ILE 43 -2.138 4.957 -4.997
333 H ARG 44 H ARG 44 0.723 10.830 -4.723
334 HA ARG 44 HA ARG 44 2.722 11.747 -2.951
335 HB2 ARG 44 2HB ARG 44 0.426 13.284 -4.176
336 HB3 ARG 44 1HB ARG 44 1.863 13.989 -3.450
337 HG2 ARG 44 2HG ARG 44 1.764 12.268 -5.918
338 HG3 ARG 44 1HG ARG 44 2.052 14.009 -5.852
339 HD2 ARG 44 2HD ARG 44 4.123 13.680 -4.686
340 HD3 ARG 44 1HD ARG 44 3.809 11.953 -4.528
341 HE ARG 44 HE ARG 44 3.825 12.137 -7.148
342 HH11 ARG 44 1HH1 ARG 44 5.938 13.717 -4.849
343 HH12 ARG 44 2HH1 ARG 44 7.295 13.760 -5.936
344 HH21 ARG 44 1HH2 ARG 44 5.600 12.155 -8.565
345 HH22 ARG 44 2HH2 ARG 44 7.114 12.854 -8.057
346 H ASP 45 H ASP 45 -0.709 11.229 -2.566
347 HA ASP 45 HA ASP 45 -0.690 12.516 0.055
348 HB2 ASP 45 2HB ASP 45 -3.077 12.215 0.064
349 HB3 ASP 45 1HB ASP 45 -2.619 12.876 -1.502
350 H ASP 46 H ASP 46 -1.368 11.495 1.872
351 HA ASP 46 HA ASP 46 -0.967 8.542 1.965
352 HB2 ASP 46 2HB ASP 46 0.745 10.004 3.131
353 HB3 ASP 46 1HB ASP 46 -0.540 10.606 4.169
354 H THR 47 H THR 47 -3.405 9.901 1.292
355 HA THR 47 HA THR 47 -5.059 9.049 3.579
356 HB THR 47 HB THR 47 -5.253 11.482 3.280
357 HG1 THR 47 1HG THR 47 -7.385 9.730 2.884
358 HG21 THR 47 3HG2 THR 47 -4.746 11.630 0.891
359 HG22 THR 47 1HG2 THR 47 -6.283 12.415 1.258
360 HG23 THR 47 2HG2 THR 47 -6.264 10.817 0.512
361 H VAL 48 H VAL 48 -4.284 8.789 0.279
362 HA VAL 48 HA VAL 48 -6.578 7.068 -0.272
363 HB VAL 48 HB VAL 48 -4.405 8.273 -1.991
364 HG11 VAL 48 1HG1 VAL 48 -5.402 7.129 -3.931
365 HG12 VAL 48 2HG1 VAL 48 -6.466 6.227 -2.852
366 HG13 VAL 48 3HG1 VAL 48 -4.721 5.977 -2.783
367 HG21 VAL 48 3HG2 VAL 48 -6.296 9.699 -1.463
368 HG22 VAL 48 1HG2 VAL 48 -7.416 8.467 -2.043
369 HG23 VAL 48 2HG2 VAL 48 -6.317 9.260 -3.170
370 H ARG 49 H ARG 49 -3.226 6.993 0.534
371 HA ARG 49 HA ARG 49 -2.369 4.539 -0.509
372 HB2 ARG 49 2HB ARG 49 -1.623 5.921 2.057
373 HB3 ARG 49 1HB ARG 49 -0.739 4.595 1.415
374 HG2 ARG 49 2HG ARG 49 -0.223 5.923 -0.582
375 HG3 ARG 49 1HG ARG 49 -1.079 7.267 0.174
376 HD2 ARG 49 2HD ARG 49 0.452 7.106 2.103
377 HD3 ARG 49 1HD ARG 49 1.350 5.867 1.236
378 HE ARG 49 HE ARG 49 1.403 7.918 -0.494
379 HH11 ARG 49 1HH1 ARG 49 1.993 7.796 2.948
380 HH12 ARG 49 2HH1 ARG 49 3.276 8.971 2.898
381 HH21 ARG 49 1HH2 ARG 49 3.074 9.480 -0.572
382 HH22 ARG 49 2HH2 ARG 49 3.896 9.930 0.895
383 H GLU 50 H GLU 50 -3.733 5.234 2.701
384 HA GLU 50 HA GLU 50 -3.883 2.412 3.206
385 HB2 GLU 50 2HB GLU 50 -5.274 3.522 5.169
386 HB3 GLU 50 1HB GLU 50 -3.653 3.093 5.253
387 HG2 GLU 50 2HG GLU 50 -4.245 5.172 6.062
388 HG3 GLU 50 1HG GLU 50 -2.935 5.220 5.030
389 H SER 51 H SER 51 -5.951 4.643 1.801
390 HA SER 51 HA SER 51 -8.236 2.929 2.006
391 HB2 SER 51 2HB SER 51 -7.560 4.862 -0.240
392 HB3 SER 51 1HB SER 51 -9.155 4.204 0.134
393 HG SER 51 HG SER 51 -7.746 6.256 1.357
394 H LEU 52 H LEU 52 -5.276 2.455 0.646
395 HA LEU 52 HA LEU 52 -5.950 1.150 -1.703
396 HB2 LEU 52 2HB LEU 52 -3.437 1.391 -0.241
397 HB3 LEU 52 1HB LEU 52 -3.501 0.606 -1.759
398 HG LEU 52 HG LEU 52 -4.254 3.478 -1.235
399 HD11 LEU 52 1HD1 LEU 52 -2.077 2.343 -2.935
400 HD12 LEU 52 2HD1 LEU 52 -1.883 3.163 -1.385
401 HD13 LEU 52 3HD1 LEU 52 -2.497 4.048 -2.783
402 HD21 LEU 52 3HD2 LEU 52 -4.700 3.689 -3.620
403 HD22 LEU 52 1HD2 LEU 52 -5.802 2.558 -2.833
404 HD23 LEU 52 2HD2 LEU 52 -4.464 1.951 -3.811
405 H PHE 53 H PHE 53 -5.006 0.298 1.106
406 HA PHE 53 HA PHE 53 -4.221 -2.310 0.563
407 HB2 PHE 53 2HB PHE 53 -3.108 -1.367 2.196
408 HB3 PHE 53 1HB PHE 53 -4.177 0.038 1.824
409 HD1 PHE 53 2HD PHE 53 -3.704 -2.942 4.092
410 HD2 PHE 53 1HD PHE 53 -5.621 0.754 3.431
411 HE1 PHE 53 2HE PHE 53 -4.556 -3.009 6.399
412 HE2 PHE 53 1HE PHE 53 -6.494 0.727 5.752
413 HZ PHE 53 HZ PHE 53 -5.961 -1.166 7.237
414 H GLU 54 H GLU 54 -6.873 -0.620 2.097
415 HA GLU 54 HA GLU 54 -8.405 -2.738 3.108
416 HB2 GLU 54 2HB GLU 54 -9.921 -0.622 1.691
417 HB3 GLU 54 1HB GLU 54 -10.129 -1.253 3.316
418 HG2 GLU 54 2HG GLU 54 -8.110 0.016 3.995
419 HG3 GLU 54 1HG GLU 54 -8.091 0.729 2.380
420 H GLU 55 H GLU 55 -8.333 -1.342 -0.143
421 HA GLU 55 HA GLU 55 -10.387 -3.016 -1.172
422 HB2 GLU 55 2HB GLU 55 -8.237 -1.612 -2.760
423 HB3 GLU 55 1HB GLU 55 -9.798 -2.162 -3.348
424 HG2 GLU 55 2HG GLU 55 -10.862 -0.539 -1.760
425 HG3 GLU 55 1HG GLU 55 -9.244 0.097 -1.452
426 H TRP 56 H TRP 56 -6.827 -3.131 -1.530
427 HA TRP 56 HA TRP 56 -6.808 -5.437 -3.125
428 HB2 TRP 56 2HB TRP 56 -4.937 -4.104 -3.244
429 HB3 TRP 56 1HB TRP 56 -4.738 -4.114 -1.514
430 HD1 TRP 56 HD TRP 56 -4.102 -6.639 -4.248
431 HE1 TRP 56 1HE TRP 56 -2.355 -8.328 -3.421
432 HE3 TRP 56 3HE TRP 56 -3.483 -4.313 -0.580
433 HZ2 TRP 56 2HZ TRP 56 -0.650 -8.251 -1.062
434 HZ3 TRP 56 3HZ TRP 56 -1.764 -4.712 0.504
435 HH2 TRP 56 HH TRP 56 -0.340 -6.665 0.699
436 H CYS 57 H CYS 57 -7.176 -4.979 0.167
437 HA CYS 57 HA CYS 57 -6.221 -7.412 1.257
438 HB2 CYS 57 2HB CYS 57 -6.634 -5.488 2.693
439 HB3 CYS 57 1HB CYS 57 -8.348 -5.517 2.291
440 HG CYS 57 HG CYS 57 -8.131 -8.400 3.375
441 H GLY 58 H GLY 58 -9.484 -6.290 0.388
442 HA2 GLY 58 2HA GLY 58 -10.387 -9.102 0.357
443 HA3 GLY 58 1HA GLY 58 -11.445 -7.700 0.506
444 H GLU 59 H GLU 59 -8.743 -8.010 -1.648
445 HA GLU 59 HA GLU 59 -10.379 -7.109 -3.846
446 HB2 GLU 59 2HB GLU 59 -7.861 -6.537 -3.004
447 HB3 GLU 59 1HB GLU 59 -7.515 -7.784 -4.224
448 HG2 GLU 59 2HG GLU 59 -8.971 -5.183 -4.663
449 HG3 GLU 59 1HG GLU 59 -7.356 -5.606 -5.226
Start of MODEL 5
1 H1 ASP 5 H ASP 5 -4.471 7.623 -8.349
2 HA ASP 5 HA ASP 5 -7.389 7.655 -8.567
3 HB2 ASP 5 2HB ASP 5 -5.960 8.946 -10.173
4 HB3 ASP 5 1HB ASP 5 -5.280 7.420 -10.723
5 H ILE 6 H ILE 6 -8.284 5.981 -9.957
6 HA ILE 6 HA ILE 6 -7.589 3.416 -8.945
7 HB ILE 6 HB ILE 6 -9.264 2.511 -10.455
8 HG12 ILE 6 2HG1 ILE 6 -9.995 5.396 -11.010
9 HG13 ILE 6 1HG1 ILE 6 -9.178 4.342 -12.160
10 HG21 ILE 6 1HG2 ILE 6 -9.785 3.028 -8.151
11 HG22 ILE 6 2HG2 ILE 6 -11.184 3.380 -9.165
12 HG23 ILE 6 3HG2 ILE 6 -10.163 4.695 -8.585
13 HD11 ILE 6 3HD1 ILE 6 -11.935 3.912 -11.027
14 HD12 ILE 6 1HD1 ILE 6 -11.115 2.862 -12.182
15 HD13 ILE 6 2HD1 ILE 6 -11.552 4.505 -12.644
16 H ASP 7 H ASP 7 -5.663 3.341 -9.566
17 HA ASP 7 HA ASP 7 -4.954 1.944 -11.785
18 HB2 ASP 7 2HB ASP 7 -5.123 4.238 -12.789
19 HB3 ASP 7 1HB ASP 7 -3.721 4.596 -11.788
20 H GLU 8 H GLU 8 -4.039 4.002 -10.016
21 HA GLU 8 HA GLU 8 -1.430 3.189 -9.141
22 HB2 GLU 8 2HB GLU 8 -3.269 5.350 -8.129
23 HB3 GLU 8 1HB GLU 8 -1.682 5.036 -7.431
24 HG2 GLU 8 2HG GLU 8 -0.683 5.355 -9.599
25 HG3 GLU 8 1HG GLU 8 -2.253 5.765 -10.282
26 H ARG 9 H ARG 9 -4.621 2.965 -7.859
27 HA ARG 9 HA ARG 9 -4.046 2.154 -5.265
28 HB2 ARG 9 2HB ARG 9 -6.258 1.280 -5.147
29 HB3 ARG 9 1HB ARG 9 -6.327 2.655 -6.231
30 HG2 ARG 9 2HG ARG 9 -6.399 1.183 -8.152
31 HG3 ARG 9 1HG ARG 9 -6.236 -0.222 -7.106
32 HD2 ARG 9 2HD ARG 9 -8.353 0.482 -5.978
33 HD3 ARG 9 1HD ARG 9 -8.545 1.711 -7.224
34 HE ARG 9 HE ARG 9 -8.884 -0.023 -8.819
35 HH11 ARG 9 1HH1 ARG 9 -8.733 -1.103 -5.489
36 HH12 ARG 9 2HH1 ARG 9 -9.415 -2.674 -5.825
37 HH21 ARG 9 1HH2 ARG 9 -9.848 -2.048 -9.257
38 HH22 ARG 9 2HH2 ARG 9 -10.098 -3.187 -7.966
39 H ASN 10 H ASN 10 -4.412 0.133 -8.172
40 HA ASN 10 HA ASN 10 -3.838 -2.326 -6.797
41 HB2 ASN 10 2HB ASN 10 -3.829 -1.611 -9.759
42 HB3 ASN 10 1HB ASN 10 -3.553 -3.239 -9.142
43 HD21 ASN 10 1HD2 ASN 10 -5.876 -0.717 -9.626
44 HD22 ASN 10 2HD2 ASN 10 -7.280 -1.640 -9.232
45 H ILE 11 H ILE 11 -1.928 0.217 -8.074
46 HA ILE 11 HA ILE 11 0.491 -1.168 -8.346
47 HB ILE 11 HB ILE 11 0.023 1.687 -7.467
48 HG12 ILE 11 2HG1 ILE 11 0.772 0.492 -10.144
49 HG13 ILE 11 1HG1 ILE 11 -0.786 1.195 -9.721
50 HG21 ILE 11 1HG2 ILE 11 2.380 2.077 -8.037
51 HG22 ILE 11 2HG2 ILE 11 2.592 0.350 -8.320
52 HG23 ILE 11 3HG2 ILE 11 2.208 0.937 -6.703
53 HD11 ILE 11 3HD1 ILE 11 0.537 2.727 -11.056
54 HD12 ILE 11 1HD1 ILE 11 1.835 2.668 -9.862
55 HD13 ILE 11 2HD1 ILE 11 0.276 3.372 -9.436
56 H PHE 12 H PHE 12 -1.025 0.375 -5.454
57 HA PHE 12 HA PHE 12 1.257 -0.209 -3.845
58 HB2 PHE 12 2HB PHE 12 -1.500 0.807 -3.322
59 HB3 PHE 12 1HB PHE 12 -0.563 0.210 -1.955
60 HD1 PHE 12 1HD PHE 12 0.298 2.302 -4.993
61 HD2 PHE 12 2HD PHE 12 0.244 2.050 -0.701
62 HE1 PHE 12 1HE PHE 12 1.391 4.479 -4.818
63 HE2 PHE 12 2HE PHE 12 1.347 4.219 -0.575
64 HZ PHE 12 HZ PHE 12 1.914 5.441 -2.622
65 H PHE 13 H PHE 13 -2.038 -1.773 -3.744
66 HA PHE 13 HA PHE 13 -1.880 -4.323 -2.378
67 HB2 PHE 13 2HB PHE 13 -2.256 -4.280 -5.049
68 HB3 PHE 13 1HB PHE 13 -3.137 -4.993 -3.946
69 HD1 PHE 13 2HD PHE 13 -3.348 -1.817 -2.826
70 HD2 PHE 13 1HD PHE 13 -4.617 -4.233 -6.090
71 HE1 PHE 13 2HE PHE 13 -5.373 -0.444 -3.072
72 HE2 PHE 13 1HE PHE 13 -6.644 -2.883 -6.310
73 HZ PHE 13 HZ PHE 13 -7.028 -1.007 -4.800
74 H GLU 14 H GLU 14 -0.471 -3.459 -5.645
75 HA GLU 14 HA GLU 14 0.671 -6.008 -6.114
76 HB2 GLU 14 2HB GLU 14 0.273 -4.300 -7.870
77 HB3 GLU 14 1HB GLU 14 1.542 -3.321 -7.191
78 HG2 GLU 14 2HG GLU 14 2.321 -4.495 -9.155
79 HG3 GLU 14 1HG GLU 14 3.186 -5.026 -7.715
80 H LEU 15 H LEU 15 2.073 -2.954 -5.161
81 HA LEU 15 HA LEU 15 4.623 -3.884 -4.397
82 HB2 LEU 15 2HB LEU 15 3.221 -1.670 -2.930
83 HB3 LEU 15 1HB LEU 15 4.915 -1.811 -3.313
84 HG LEU 15 HG LEU 15 2.682 -1.123 -5.166
85 HD11 LEU 15 1HD1 LEU 15 5.082 0.446 -4.266
86 HD12 LEU 15 2HD1 LEU 15 3.411 0.705 -3.767
87 HD13 LEU 15 3HD1 LEU 15 3.883 0.983 -5.444
88 HD21 LEU 15 3HD2 LEU 15 5.601 -1.535 -5.823
89 HD22 LEU 15 1HD2 LEU 15 4.383 -0.894 -6.927
90 HD23 LEU 15 2HD2 LEU 15 4.262 -2.556 -6.348
91 H PHE 16 H PHE 16 1.433 -4.012 -2.906
92 HA PHE 16 HA PHE 16 2.424 -4.243 -0.248
93 HB2 PHE 16 2HB PHE 16 -0.060 -4.201 -1.824
94 HB3 PHE 16 1HB PHE 16 -0.165 -4.754 -0.206
95 HD1 PHE 16 2HD PHE 16 2.069 -2.102 0.011
96 HD2 PHE 16 1HD PHE 16 -2.129 -2.850 -0.785
97 HE1 PHE 16 2HE PHE 16 1.467 0.161 0.768
98 HE2 PHE 16 1HE PHE 16 -2.632 -0.611 -0.036
99 HZ PHE 16 HZ PHE 16 -0.899 0.889 0.729
100 H ASP 17 H ASP 17 1.512 -6.218 -2.949
101 HA ASP 17 HA ASP 17 1.530 -8.719 -1.528
102 HB2 ASP 17 2HB ASP 17 0.257 -8.307 -3.657
103 HB3 ASP 17 1HB ASP 17 1.794 -8.276 -4.497
104 H ARG 18 H ARG 18 3.652 -6.995 -3.689
105 HA ARG 18 HA ARG 18 5.741 -8.788 -3.932
106 HB2 ARG 18 2HB ARG 18 5.674 -6.714 -5.197
107 HB3 ARG 18 1HB ARG 18 5.864 -5.773 -3.724
108 HG2 ARG 18 2HG ARG 18 7.943 -5.921 -5.009
109 HG3 ARG 18 1HG ARG 18 8.097 -6.654 -3.409
110 HD2 ARG 18 2HD ARG 18 7.652 -8.867 -4.468
111 HD3 ARG 18 1HD ARG 18 7.714 -8.069 -6.032
112 HE ARG 18 HE ARG 18 10.063 -7.442 -4.673
113 HH11 ARG 18 1HH1 ARG 18 8.482 -10.254 -6.048
114 HH12 ARG 18 2HH1 ARG 18 9.973 -11.086 -6.367
115 HH21 ARG 18 1HH2 ARG 18 12.018 -8.539 -5.082
116 HH22 ARG 18 2HH2 ARG 18 11.988 -10.111 -5.833
117 H TYR 19 H TYR 19 4.902 -6.765 -1.192
118 HA TYR 19 HA TYR 19 7.371 -7.660 0.147
119 HB2 TYR 19 2HB TYR 19 5.456 -5.490 1.031
120 HB3 TYR 19 1HB TYR 19 7.020 -5.865 1.743
121 HD1 TYR 19 2HD TYR 19 8.333 -6.263 -1.131
122 HD2 TYR 19 1HD TYR 19 6.048 -3.171 0.702
123 HE1 TYR 19 2HE TYR 19 9.401 -4.606 -2.596
124 HE2 TYR 19 1HE TYR 19 7.105 -1.514 -0.768
125 HH TYR 19 HH TYR 19 9.060 -1.218 -2.080
126 H LYS 20 H LYS 20 4.321 -8.534 -0.311
127 HA LYS 20 HA LYS 20 2.655 -9.619 0.766
128 HB2 LYS 20 2HB LYS 20 4.591 -11.206 0.700
129 HB3 LYS 20 1HB LYS 20 4.849 -10.876 2.394
130 HG2 LYS 20 2HG LYS 20 2.254 -11.919 1.282
131 HG3 LYS 20 1HG LYS 20 3.552 -12.972 1.829
132 HD2 LYS 20 2HD LYS 20 2.321 -10.871 3.599
133 HD3 LYS 20 1HD LYS 20 1.661 -12.501 3.468
134 HE2 LYS 20 2HE LYS 20 3.052 -12.533 5.370
135 HE3 LYS 20 1HE LYS 20 3.972 -13.336 4.103
136 HZ1 LYS 20 3HZ LYS 20 4.313 -10.474 4.812
137 HZ2 LYS 20 1HZ LYS 20 5.318 -11.416 3.817
138 HZ3 LYS 20 2HZ LYS 20 5.245 -11.718 5.485
139 H LEU 21 H LEU 21 1.835 -7.805 1.653
140 HA LEU 21 HA LEU 21 2.619 -7.025 4.335
141 HB2 LEU 21 2HB LEU 21 0.452 -6.133 2.464
142 HB3 LEU 21 1HB LEU 21 0.596 -5.529 4.094
143 HG LEU 21 HG LEU 21 1.469 -4.169 2.149
144 HD11 LEU 21 1HD1 LEU 21 3.188 -4.666 4.555
145 HD12 LEU 21 2HD1 LEU 21 1.835 -3.540 4.439
146 HD13 LEU 21 3HD1 LEU 21 3.307 -3.251 3.509
147 HD21 LEU 21 3HD2 LEU 21 3.825 -6.001 2.505
148 HD22 LEU 21 1HD2 LEU 21 3.865 -4.462 1.644
149 HD23 LEU 21 2HD2 LEU 21 2.875 -5.788 1.035
150 H ASP 22 H ASP 22 1.143 -6.892 6.019
151 HA ASP 22 HA ASP 22 -0.919 -8.960 6.012
152 HB2 ASP 22 2HB ASP 22 0.176 -7.176 8.202
153 HB3 ASP 22 1HB ASP 22 -1.125 -8.342 8.450
154 H LYS 23 H LYS 23 -2.263 -8.178 4.680
155 HA LYS 23 HA LYS 23 -2.836 -5.446 4.336
156 HB2 LYS 23 2HB LYS 23 -3.386 -7.731 2.930
157 HB3 LYS 23 1HB LYS 23 -4.977 -7.124 3.391
158 HG2 LYS 23 2HG LYS 23 -3.007 -6.000 1.500
159 HG3 LYS 23 1HG LYS 23 -4.773 -5.776 1.610
160 HD2 LYS 23 2HD LYS 23 -4.059 -3.662 2.110
161 HD3 LYS 23 1HD LYS 23 -4.059 -4.347 3.737
162 HE2 LYS 23 2HE LYS 23 -1.558 -4.955 2.506
163 HE3 LYS 23 1HE LYS 23 -1.883 -3.234 2.280
164 HZ1 LYS 23 3HZ LYS 23 -0.696 -3.593 4.318
165 HZ2 LYS 23 1HZ LYS 23 -1.858 -4.693 4.865
166 HZ3 LYS 23 2HZ LYS 23 -2.261 -3.062 4.681
167 H PHE 24 H PHE 24 -4.332 -7.877 6.392
168 HA PHE 24 HA PHE 24 -6.455 -5.964 7.078
169 HB2 PHE 24 2HB PHE 24 -7.732 -7.916 7.902
170 HB3 PHE 24 1HB PHE 24 -7.321 -8.045 6.196
171 HD1 PHE 24 1HD PHE 24 -5.617 -9.651 5.449
172 HD2 PHE 24 2HD PHE 24 -6.871 -9.461 9.512
173 HE1 PHE 24 1HE PHE 24 -4.640 -11.872 5.849
174 HE2 PHE 24 2HE PHE 24 -5.891 -11.681 9.920
175 HZ PHE 24 HZ PHE 24 -4.774 -12.889 8.087
176 H SER 25 H SER 25 -3.568 -6.523 8.240
177 HA SER 25 HA SER 25 -4.216 -7.069 11.015
178 HB2 SER 25 2HB SER 25 -2.108 -7.911 10.166
179 HB3 SER 25 1HB SER 25 -1.618 -6.293 9.671
180 HG SER 25 HG SER 25 -2.184 -6.998 12.367
181 H THR 26 H THR 26 -2.230 -4.437 9.727
182 HA THR 26 HA THR 26 -4.045 -2.387 10.751
183 HB THR 26 HB THR 26 -1.647 -1.284 11.482
184 HG1 THR 26 1HG THR 26 -1.669 -4.029 12.338
185 HG21 THR 26 3HG2 THR 26 -3.591 -2.772 13.280
186 HG22 THR 26 1HG2 THR 26 -3.748 -1.106 12.725
187 HG23 THR 26 2HG2 THR 26 -2.428 -1.555 13.806
188 H TRP 27 H TRP 27 -3.666 -0.480 9.953
189 HA TRP 27 HA TRP 27 -2.829 -0.556 7.234
190 HB2 TRP 27 2HB TRP 27 -4.385 1.147 7.673
191 HB3 TRP 27 1HB TRP 27 -3.544 1.659 9.134
192 HD1 TRP 27 HD TRP 27 -2.615 4.049 8.623
193 HE1 TRP 27 1HE TRP 27 -1.443 5.260 6.808
194 HE3 TRP 27 3HE TRP 27 -2.770 0.378 5.233
195 HZ2 TRP 27 2HZ TRP 27 -0.801 4.828 4.271
196 HZ3 TRP 27 3HZ TRP 27 -1.912 0.949 2.999
197 HH2 TRP 27 HH TRP 27 -1.075 3.190 2.642
198 H SER 28 H SER 28 -1.459 0.968 10.130
199 HA SER 28 HA SER 28 0.740 1.674 8.540
200 HB2 SER 28 2HB SER 28 1.741 2.338 10.569
201 HB3 SER 28 1HB SER 28 0.562 3.339 9.830
202 HG SER 28 HG SER 28 0.209 3.171 12.116
203 H LEU 29 H LEU 29 0.254 -0.962 10.752
204 HA LEU 29 HA LEU 29 2.876 -1.631 11.312
205 HB2 LEU 29 2HB LEU 29 0.635 -2.968 11.674
206 HB3 LEU 29 1HB LEU 29 1.018 -3.684 10.126
207 HG LEU 29 HG LEU 29 1.673 -5.067 12.088
208 HD11 LEU 29 1HD1 LEU 29 2.769 -5.420 9.959
209 HD12 LEU 29 2HD1 LEU 29 3.916 -5.634 11.282
210 HD13 LEU 29 3HD1 LEU 29 3.938 -4.151 10.326
211 HD21 LEU 29 3HD2 LEU 29 3.643 -4.418 13.382
212 HD22 LEU 29 1HD2 LEU 29 2.316 -3.277 13.600
213 HD23 LEU 29 2HD2 LEU 29 3.674 -2.860 12.554
214 H GLN 30 H GLN 30 1.060 -1.511 8.457
215 HA GLN 30 HA GLN 30 3.138 -2.618 6.743
216 HB2 GLN 30 2HB GLN 30 0.491 -1.398 5.957
217 HB3 GLN 30 1HB GLN 30 1.573 -2.324 4.927
218 HG2 GLN 30 2HG GLN 30 -0.341 -3.239 6.938
219 HG3 GLN 30 1HG GLN 30 0.106 -3.963 5.443
220 HE21 GLN 30 1HE2 GLN 30 -0.208 -5.030 8.182
221 HE22 GLN 30 2HE2 GLN 30 1.265 -5.878 8.506
222 H SER 31 H SER 31 1.452 0.425 7.257
223 HA SER 31 HA SER 31 2.987 1.773 5.342
224 HB2 SER 31 2HB SER 31 1.738 3.791 5.946
225 HB3 SER 31 1HB SER 31 0.792 2.445 5.348
226 HG SER 31 HG SER 31 -0.051 3.516 7.237
227 H LYS 32 H LYS 32 3.175 1.899 8.828
228 HA LYS 32 HA LYS 32 5.090 4.003 8.854
229 HB2 LYS 32 2HB LYS 32 5.552 3.414 11.098
230 HB3 LYS 32 1HB LYS 32 3.854 3.023 10.884
231 HG2 LYS 32 2HG LYS 32 4.540 1.164 11.998
232 HG3 LYS 32 1HG LYS 32 4.833 0.627 10.345
233 HD2 LYS 32 2HD LYS 32 7.194 1.342 10.573
234 HD3 LYS 32 1HD LYS 32 6.872 1.771 12.253
235 HE2 LYS 32 2HE LYS 32 6.295 -0.546 12.745
236 HE3 LYS 32 1HE LYS 32 6.563 -0.979 11.056
237 HZ1 LYS 32 3HZ LYS 32 8.883 -0.329 11.307
238 HZ2 LYS 32 1HZ LYS 32 8.471 -1.551 12.406
239 HZ3 LYS 32 2HZ LYS 32 8.621 0.053 12.937
240 H LYS 33 H LYS 33 4.989 1.078 7.491
241 HA LYS 33 HA LYS 33 7.899 0.586 7.679
242 HB2 LYS 33 2HB LYS 33 6.607 -1.286 8.456
243 HB3 LYS 33 1HB LYS 33 5.629 -1.277 6.998
244 HG2 LYS 33 2HG LYS 33 7.473 -2.035 5.677
245 HG3 LYS 33 1HG LYS 33 8.585 -1.852 7.038
246 HD2 LYS 33 2HD LYS 33 7.928 -4.198 6.687
247 HD3 LYS 33 1HD LYS 33 7.409 -3.594 8.262
248 HE2 LYS 33 2HE LYS 33 5.172 -3.096 7.159
249 HE3 LYS 33 1HE LYS 33 5.745 -4.066 5.801
250 HZ1 LYS 33 3HZ LYS 33 4.388 -5.309 7.436
251 HZ2 LYS 33 1HZ LYS 33 5.595 -5.053 8.600
252 HZ3 LYS 33 2HZ LYS 33 5.929 -5.968 7.211
253 H ILE 34 H ILE 34 5.212 0.606 5.288
254 HA ILE 34 HA ILE 34 6.980 0.186 3.103
255 HB ILE 34 HB ILE 34 5.169 0.478 1.607
256 HG12 ILE 34 2HG1 ILE 34 3.114 1.347 3.627
257 HG13 ILE 34 1HG1 ILE 34 4.244 2.551 3.019
258 HG21 ILE 34 1HG2 ILE 34 5.137 -1.590 2.794
259 HG22 ILE 34 2HG2 ILE 34 3.480 -1.057 2.513
260 HG23 ILE 34 3HG2 ILE 34 4.208 -0.872 4.108
261 HD11 ILE 34 3HD1 ILE 34 2.190 2.466 1.723
262 HD12 ILE 34 1HD1 ILE 34 2.475 0.761 1.368
263 HD13 ILE 34 2HD1 ILE 34 3.572 1.991 0.740
264 H GLU 35 H GLU 35 6.253 2.958 4.899
265 HA GLU 35 HA GLU 35 6.776 4.999 3.040
266 HB2 GLU 35 2HB GLU 35 7.650 6.281 5.044
267 HB3 GLU 35 1HB GLU 35 6.005 5.670 5.173
268 HG2 GLU 35 2HG GLU 35 6.617 3.988 6.644
269 HG3 GLU 35 1HG GLU 35 8.334 4.145 6.264
270 H ASN 36 H ASN 36 8.898 2.688 4.494
271 HA ASN 36 HA ASN 36 11.308 4.144 3.869
272 HB2 ASN 36 2HB ASN 36 11.408 2.668 5.755
273 HB3 ASN 36 1HB ASN 36 10.756 1.325 4.828
274 HD21 ASN 36 1HD2 ASN 36 12.106 0.108 3.567
275 HD22 ASN 36 2HD2 ASN 36 13.830 0.270 3.586
276 H ASP 37 H ASP 37 9.130 2.198 2.229
277 HA ASP 37 HA ASP 37 11.027 1.341 0.190
278 HB2 ASP 37 2HB ASP 37 8.064 0.818 0.548
279 HB3 ASP 37 1HB ASP 37 9.060 0.146 -0.747
280 HA PRO 38 HA PRO 38 9.577 4.365 -2.846
281 HB2 PRO 38 2HB PRO 38 9.337 2.164 -4.793
282 HB3 PRO 38 1HB PRO 38 10.344 3.613 -4.858
283 HG2 PRO 38 2HG PRO 38 11.393 1.175 -4.435
284 HG3 PRO 38 1HG PRO 38 12.066 2.633 -3.684
285 HD2 PRO 38 2HD PRO 38 10.317 0.520 -2.489
286 HD3 PRO 38 1HD PRO 38 11.692 1.386 -1.773
287 H ASP 39 H ASP 39 7.943 1.718 -1.663
288 HA ASP 39 HA ASP 39 5.611 1.515 -3.209
289 HB2 ASP 39 2HB ASP 39 6.392 -0.137 -1.524
290 HB3 ASP 39 1HB ASP 39 6.029 1.009 -0.244
291 H PHE 40 H PHE 40 6.249 3.302 -0.198
292 HA PHE 40 HA PHE 40 3.669 4.501 -0.054
293 HB2 PHE 40 2HB PHE 40 5.961 4.402 1.535
294 HB3 PHE 40 1HB PHE 40 5.774 6.103 1.144
295 HD1 PHE 40 2HD PHE 40 2.756 4.006 1.444
296 HD2 PHE 40 1HD PHE 40 5.454 6.603 3.473
297 HE1 PHE 40 2HE PHE 40 1.195 4.187 3.289
298 HE2 PHE 40 1HE PHE 40 3.864 6.778 5.331
299 HZ PHE 40 HZ PHE 40 1.754 5.535 5.223
300 H TYR 41 H TYR 41 6.624 5.381 -1.660
301 HA TYR 41 HA TYR 41 5.896 8.157 -1.933
302 HB2 TYR 41 2HB TYR 41 8.275 6.539 -2.802
303 HB3 TYR 41 1HB TYR 41 8.058 8.210 -3.306
304 HD1 TYR 41 1HD TYR 41 8.026 10.012 -1.602
305 HD2 TYR 41 2HD TYR 41 9.051 6.003 -0.579
306 HE1 TYR 41 1HE TYR 41 9.065 10.809 0.477
307 HE2 TYR 41 2HE TYR 41 10.082 6.797 1.496
308 HH TYR 41 HH TYR 41 11.064 8.844 2.406
309 H LYS 42 H LYS 42 4.780 5.545 -3.521
310 HA LYS 42 HA LYS 42 4.939 6.466 -6.225
311 HB2 LYS 42 2HB LYS 42 3.057 4.495 -4.916
312 HB3 LYS 42 1HB LYS 42 3.100 4.815 -6.646
313 HG2 LYS 42 2HG LYS 42 5.362 3.705 -4.995
314 HG3 LYS 42 1HG LYS 42 4.318 2.786 -6.079
315 HD2 LYS 42 2HD LYS 42 5.130 4.098 -7.979
316 HD3 LYS 42 1HD LYS 42 6.159 5.037 -6.897
317 HE2 LYS 42 2HE LYS 42 7.333 2.948 -6.272
318 HE3 LYS 42 1HE LYS 42 6.358 2.081 -7.456
319 HZ1 LYS 42 3HZ LYS 42 7.287 3.499 -9.194
320 HZ2 LYS 42 1HZ LYS 42 8.512 2.659 -8.371
321 HZ3 LYS 42 2HZ LYS 42 8.240 4.303 -8.046
322 H ILE 43 H ILE 43 2.695 6.888 -3.573
323 HA ILE 43 HA ILE 43 1.314 8.951 -5.162
324 HB ILE 43 HB ILE 43 0.023 7.257 -3.010
325 HG12 ILE 43 2HG1 ILE 43 -0.321 7.120 -6.019
326 HG13 ILE 43 1HG1 ILE 43 0.425 5.896 -5.008
327 HG21 ILE 43 1HG2 ILE 43 -0.888 9.512 -3.177
328 HG22 ILE 43 2HG2 ILE 43 -2.058 8.322 -3.746
329 HG23 ILE 43 3HG2 ILE 43 -1.149 9.290 -4.907
330 HD11 ILE 43 3HD1 ILE 43 -2.462 6.740 -4.941
331 HD12 ILE 43 1HD1 ILE 43 -1.721 5.542 -3.878
332 HD13 ILE 43 2HD1 ILE 43 -1.815 5.243 -5.615
333 H ARG 44 H ARG 44 1.518 10.939 -4.297
334 HA ARG 44 HA ARG 44 2.896 11.333 -1.839
335 HB2 ARG 44 2HB ARG 44 2.460 13.731 -2.194
336 HB3 ARG 44 1HB ARG 44 3.101 12.956 -3.634
337 HG2 ARG 44 2HG ARG 44 0.936 12.932 -4.660
338 HG3 ARG 44 1HG ARG 44 0.179 13.512 -3.177
339 HD2 ARG 44 2HD ARG 44 0.459 15.291 -4.855
340 HD3 ARG 44 1HD ARG 44 1.342 15.622 -3.365
341 HE ARG 44 HE ARG 44 3.164 14.387 -4.997
342 HH11 ARG 44 1HH1 ARG 44 1.123 17.219 -5.286
343 HH12 ARG 44 2HH1 ARG 44 2.270 18.096 -6.252
344 HH21 ARG 44 1HH2 ARG 44 4.649 15.511 -6.277
345 HH22 ARG 44 2HH2 ARG 44 4.272 17.113 -6.842
346 H ASP 45 H ASP 45 -0.490 11.277 -2.700
347 HA ASP 45 HA ASP 45 -1.348 12.425 -0.209
348 HB2 ASP 45 2HB ASP 45 -2.815 11.213 -2.539
349 HB3 ASP 45 1HB ASP 45 -3.652 11.655 -1.055
350 H ASP 46 H ASP 46 -0.968 11.322 1.537
351 HA ASP 46 HA ASP 46 -0.830 8.498 1.755
352 HB2 ASP 46 2HB ASP 46 0.305 10.094 3.284
353 HB3 ASP 46 1HB ASP 46 -1.263 10.566 3.929
354 H THR 47 H THR 47 -3.426 10.799 2.035
355 HA THR 47 HA THR 47 -5.249 9.188 3.480
356 HB THR 47 HB THR 47 -5.441 11.664 3.174
357 HG1 THR 47 1HG THR 47 -7.517 9.826 2.866
358 HG21 THR 47 3HG2 THR 47 -6.459 10.910 0.430
359 HG22 THR 47 1HG2 THR 47 -4.959 11.768 0.777
360 HG23 THR 47 2HG2 THR 47 -6.509 12.521 1.145
361 H VAL 48 H VAL 48 -4.015 8.763 0.413
362 HA VAL 48 HA VAL 48 -6.379 7.250 -0.465
363 HB VAL 48 HB VAL 48 -3.911 7.939 -2.075
364 HG11 VAL 48 1HG1 VAL 48 -5.050 5.946 -2.871
365 HG12 VAL 48 2HG1 VAL 48 -5.278 7.277 -4.004
366 HG13 VAL 48 3HG1 VAL 48 -6.584 6.817 -2.909
367 HG21 VAL 48 3HG2 VAL 48 -6.623 9.257 -2.081
368 HG22 VAL 48 1HG2 VAL 48 -5.314 9.598 -3.213
369 HG23 VAL 48 2HG2 VAL 48 -5.119 9.970 -1.499
370 H ARG 49 H ARG 49 -3.038 7.041 0.453
371 HA ARG 49 HA ARG 49 -2.273 4.553 -0.538
372 HB2 ARG 49 2HB ARG 49 -1.499 5.866 2.061
373 HB3 ARG 49 1HB ARG 49 -0.639 4.550 1.349
374 HG2 ARG 49 2HG ARG 49 -0.076 5.949 -0.568
375 HG3 ARG 49 1HG ARG 49 -0.967 7.280 0.175
376 HD2 ARG 49 2HD ARG 49 0.513 7.106 2.145
377 HD3 ARG 49 1HD ARG 49 1.447 5.886 1.293
378 HE ARG 49 HE ARG 49 1.719 7.790 -0.432
379 HH11 ARG 49 1HH1 ARG 49 1.591 8.186 3.059
380 HH12 ARG 49 2HH1 ARG 49 2.648 9.568 3.049
381 HH21 ARG 49 1HH2 ARG 49 3.089 9.586 -0.429
382 HH22 ARG 49 2HH2 ARG 49 3.473 10.392 1.068
383 H GLU 50 H GLU 50 -3.802 5.292 2.622
384 HA GLU 50 HA GLU 50 -3.796 2.467 3.117
385 HB2 GLU 50 2HB GLU 50 -5.301 3.411 5.075
386 HB3 GLU 50 1HB GLU 50 -3.649 3.121 5.176
387 HG2 GLU 50 2HG GLU 50 -4.247 5.083 6.113
388 HG3 GLU 50 1HG GLU 50 -3.137 5.368 4.913
389 H SER 51 H SER 51 -6.113 4.736 1.930
390 HA SER 51 HA SER 51 -8.305 2.950 2.046
391 HB2 SER 51 2HB SER 51 -7.672 4.949 -0.154
392 HB3 SER 51 1HB SER 51 -9.250 4.228 0.169
393 HG SER 51 HG SER 51 -8.468 5.246 2.449
394 H LEU 52 H LEU 52 -5.376 2.530 0.595
395 HA LEU 52 HA LEU 52 -6.082 1.243 -1.754
396 HB2 LEU 52 2HB LEU 52 -3.573 1.460 -0.271
397 HB3 LEU 52 1HB LEU 52 -3.638 0.676 -1.773
398 HG LEU 52 HG LEU 52 -4.252 3.573 -1.245
399 HD11 LEU 52 1HD1 LEU 52 -2.250 2.319 -3.083
400 HD12 LEU 52 2HD1 LEU 52 -1.914 3.095 -1.536
401 HD13 LEU 52 3HD1 LEU 52 -2.545 4.045 -2.880
402 HD21 LEU 52 3HD2 LEU 52 -4.823 3.816 -3.614
403 HD22 LEU 52 1HD2 LEU 52 -5.946 2.765 -2.750
404 HD23 LEU 52 2HD2 LEU 52 -4.719 2.065 -3.806
405 H PHE 53 H PHE 53 -5.019 0.404 1.008
406 HA PHE 53 HA PHE 53 -4.181 -2.176 0.520
407 HB2 PHE 53 2HB PHE 53 -3.112 -1.059 2.069
408 HB3 PHE 53 1HB PHE 53 -4.339 0.218 1.799
409 HD1 PHE 53 1HD PHE 53 -6.299 0.113 3.296
410 HD2 PHE 53 2HD PHE 53 -2.842 -2.131 4.104
411 HE1 PHE 53 1HE PHE 53 -7.021 -0.102 5.663
412 HE2 PHE 53 2HE PHE 53 -3.512 -2.386 6.473
413 HZ PHE 53 HZ PHE 53 -5.619 -1.362 7.254
414 H GLU 54 H GLU 54 -6.922 -0.584 1.956
415 HA GLU 54 HA GLU 54 -8.365 -2.728 3.038
416 HB2 GLU 54 2HB GLU 54 -9.937 -0.695 1.552
417 HB3 GLU 54 1HB GLU 54 -10.152 -1.301 3.185
418 HG2 GLU 54 2HG GLU 54 -8.220 0.042 3.904
419 HG3 GLU 54 1HG GLU 54 -8.116 0.689 2.264
420 H GLU 55 H GLU 55 -8.412 -1.397 -0.244
421 HA GLU 55 HA GLU 55 -10.378 -3.187 -1.230
422 HB2 GLU 55 2HB GLU 55 -8.254 -1.727 -2.801
423 HB3 GLU 55 1HB GLU 55 -9.736 -2.417 -3.447
424 HG2 GLU 55 2HG GLU 55 -11.028 -0.825 -2.070
425 HG3 GLU 55 1HG GLU 55 -9.508 -0.095 -1.547
426 H TRP 56 H TRP 56 -6.817 -3.183 -1.557
427 HA TRP 56 HA TRP 56 -6.685 -5.518 -3.088
428 HB2 TRP 56 2HB TRP 56 -4.869 -4.132 -3.210
429 HB3 TRP 56 1HB TRP 56 -4.688 -4.100 -1.476
430 HD1 TRP 56 HD TRP 56 -3.998 -6.662 -4.153
431 HE1 TRP 56 1HE TRP 56 -2.231 -8.312 -3.286
432 HE3 TRP 56 3HE TRP 56 -3.437 -4.233 -0.558
433 HZ2 TRP 56 2HZ TRP 56 -0.493 -8.119 -0.933
434 HZ3 TRP 56 3HZ TRP 56 -1.716 -4.549 0.541
435 HH2 TRP 56 HH TRP 56 -0.224 -6.453 0.781
436 H CYS 57 H CYS 57 -7.118 -4.986 0.157
437 HA CYS 57 HA CYS 57 -6.082 -7.317 1.380
438 HB2 CYS 57 2HB CYS 57 -6.716 -5.298 2.656
439 HB3 CYS 57 1HB CYS 57 -8.408 -5.591 2.271
440 HG CYS 57 HG CYS 57 -8.742 -7.763 3.846
441 H GLY 58 H GLY 58 -9.373 -6.418 0.353
442 HA2 GLY 58 2HA GLY 58 -10.071 -9.289 0.257
443 HA3 GLY 58 1HA GLY 58 -11.239 -7.972 0.406
444 H GLU 59 H GLU 59 -8.444 -8.304 -1.692
445 HA GLU 59 HA GLU 59 -10.130 -7.510 -3.938
446 HB2 GLU 59 2HB GLU 59 -7.958 -6.283 -3.103
447 HB3 GLU 59 1HB GLU 59 -7.131 -7.608 -3.945
448 HG2 GLU 59 2HG GLU 59 -7.336 -5.600 -5.347
449 HG3 GLU 59 1HG GLU 59 -8.111 -7.013 -6.055
Start of MODEL 6
1 H1 ASP 5 H ASP 5 -5.692 7.072 -11.687
2 HA ASP 5 HA ASP 5 -8.368 7.948 -10.955
3 HB2 ASP 5 2HB ASP 5 -7.765 9.088 -13.124
4 HB3 ASP 5 1HB ASP 5 -7.631 7.491 -13.853
5 H ILE 6 H ILE 6 -8.035 6.033 -9.699
6 HA ILE 6 HA ILE 6 -7.965 3.835 -9.192
7 HB ILE 6 HB ILE 6 -9.752 2.438 -10.185
8 HG12 ILE 6 2HG1 ILE 6 -10.439 4.924 -11.774
9 HG13 ILE 6 1HG1 ILE 6 -9.843 3.412 -12.450
10 HG21 ILE 6 1HG2 ILE 6 -10.551 5.178 -9.221
11 HG22 ILE 6 2HG2 ILE 6 -10.147 3.783 -8.221
12 HG23 ILE 6 3HG2 ILE 6 -11.594 3.755 -9.229
13 HD11 ILE 6 3HD1 ILE 6 -11.858 2.273 -11.680
14 HD12 ILE 6 1HD1 ILE 6 -12.244 3.629 -12.742
15 HD13 ILE 6 2HD1 ILE 6 -12.453 3.788 -10.998
16 H ASP 7 H ASP 7 -6.107 3.088 -9.591
17 HA ASP 7 HA ASP 7 -5.366 1.218 -11.147
18 HB2 ASP 7 2HB ASP 7 -4.470 1.687 -13.265
19 HB3 ASP 7 1HB ASP 7 -5.969 2.602 -13.181
20 H GLU 8 H GLU 8 -4.553 3.725 -10.044
21 HA GLU 8 HA GLU 8 -1.751 3.393 -9.492
22 HB2 GLU 8 2HB GLU 8 -1.834 5.426 -8.256
23 HB3 GLU 8 1HB GLU 8 -2.903 5.664 -9.628
24 HG2 GLU 8 2HG GLU 8 -3.817 4.937 -6.851
25 HG3 GLU 8 1HG GLU 8 -3.770 6.575 -7.495
26 H ARG 9 H ARG 9 -4.786 2.761 -8.041
27 HA ARG 9 HA ARG 9 -4.093 2.091 -5.418
28 HB2 ARG 9 2HB ARG 9 -6.262 0.921 -5.448
29 HB3 ARG 9 1HB ARG 9 -6.380 2.433 -6.310
30 HG2 ARG 9 2HG ARG 9 -6.141 1.230 -8.435
31 HG3 ARG 9 1HG ARG 9 -6.109 -0.285 -7.544
32 HD2 ARG 9 2HD ARG 9 -8.399 1.631 -7.326
33 HD3 ARG 9 1HD ARG 9 -8.315 0.433 -8.603
34 HE ARG 9 HE ARG 9 -8.057 -1.169 -6.570
35 HH11 ARG 9 1HH1 ARG 9 -10.044 1.704 -6.673
36 HH12 ARG 9 2HH1 ARG 9 -11.316 1.018 -5.703
37 HH21 ARG 9 1HH2 ARG 9 -9.715 -2.094 -5.295
38 HH22 ARG 9 2HH2 ARG 9 -11.111 -1.121 -4.880
39 H ASN 10 H ASN 10 -4.345 0.037 -8.298
40 HA ASN 10 HA ASN 10 -3.685 -2.388 -6.902
41 HB2 ASN 10 2HB ASN 10 -3.724 -1.728 -9.879
42 HB3 ASN 10 1HB ASN 10 -3.460 -3.344 -9.227
43 HD21 ASN 10 1HD2 ASN 10 -5.765 -0.801 -9.738
44 HD22 ASN 10 2HD2 ASN 10 -7.183 -1.689 -9.282
45 H ILE 11 H ILE 11 -1.860 0.225 -8.018
46 HA ILE 11 HA ILE 11 0.611 -1.090 -8.328
47 HB ILE 11 HB ILE 11 0.020 1.720 -7.381
48 HG12 ILE 11 2HG1 ILE 11 0.908 0.648 -10.071
49 HG13 ILE 11 1HG1 ILE 11 -0.709 1.228 -9.682
50 HG21 ILE 11 1HG2 ILE 11 2.374 2.205 -7.877
51 HG22 ILE 11 2HG2 ILE 11 2.650 0.494 -8.207
52 HG23 ILE 11 3HG2 ILE 11 2.206 1.019 -6.583
53 HD11 ILE 11 3HD1 ILE 11 1.806 2.882 -9.683
54 HD12 ILE 11 1HD1 ILE 11 0.189 3.464 -9.291
55 HD13 ILE 11 2HD1 ILE 11 0.550 2.891 -10.920
56 H PHE 12 H PHE 12 -1.045 0.310 -5.445
57 HA PHE 12 HA PHE 12 1.248 -0.201 -3.811
58 HB2 PHE 12 2HB PHE 12 -1.449 0.913 -3.398
59 HB3 PHE 12 1HB PHE 12 -0.708 0.177 -1.982
60 HD1 PHE 12 1HD PHE 12 0.676 2.204 -4.808
61 HD2 PHE 12 2HD PHE 12 0.083 1.933 -0.577
62 HE1 PHE 12 1HE PHE 12 1.940 4.279 -4.482
63 HE2 PHE 12 2HE PHE 12 1.370 3.989 -0.275
64 HZ PHE 12 HZ PHE 12 2.291 5.171 -2.221
65 H PHE 13 H PHE 13 -2.020 -1.758 -3.722
66 HA PHE 13 HA PHE 13 -1.880 -4.299 -2.357
67 HB2 PHE 13 2HB PHE 13 -2.264 -4.291 -5.023
68 HB3 PHE 13 1HB PHE 13 -3.173 -4.920 -3.893
69 HD1 PHE 13 2HD PHE 13 -3.340 -1.791 -2.775
70 HD2 PHE 13 1HD PHE 13 -4.546 -4.086 -6.150
71 HE1 PHE 13 2HE PHE 13 -5.310 -0.342 -3.076
72 HE2 PHE 13 1HE PHE 13 -6.520 -2.671 -6.418
73 HZ PHE 13 HZ PHE 13 -6.908 -0.813 -4.890
74 H GLU 14 H GLU 14 -0.380 -3.416 -5.589
75 HA GLU 14 HA GLU 14 0.730 -6.021 -5.946
76 HB2 GLU 14 2HB GLU 14 0.342 -3.877 -7.604
77 HB3 GLU 14 1HB GLU 14 2.079 -3.807 -7.353
78 HG2 GLU 14 2HG GLU 14 0.539 -6.182 -8.379
79 HG3 GLU 14 1HG GLU 14 1.500 -5.074 -9.352
80 H LEU 15 H LEU 15 2.115 -2.889 -5.035
81 HA LEU 15 HA LEU 15 4.668 -3.795 -4.254
82 HB2 LEU 15 2HB LEU 15 3.211 -1.680 -2.702
83 HB3 LEU 15 1HB LEU 15 4.901 -1.751 -3.139
84 HG LEU 15 HG LEU 15 2.650 -1.195 -5.034
85 HD11 LEU 15 1HD1 LEU 15 3.457 1.105 -5.058
86 HD12 LEU 15 2HD1 LEU 15 4.627 0.702 -3.801
87 HD13 LEU 15 3HD1 LEU 15 2.898 0.620 -3.458
88 HD21 LEU 15 3HD2 LEU 15 5.637 -1.030 -5.421
89 HD22 LEU 15 1HD2 LEU 15 4.423 -0.532 -6.598
90 HD23 LEU 15 2HD2 LEU 15 4.561 -2.228 -6.137
91 H PHE 16 H PHE 16 1.439 -4.014 -2.848
92 HA PHE 16 HA PHE 16 2.386 -4.283 -0.178
93 HB2 PHE 16 2HB PHE 16 -0.060 -4.211 -1.793
94 HB3 PHE 16 1HB PHE 16 -0.187 -4.794 -0.185
95 HD1 PHE 16 2HD PHE 16 2.067 -2.238 0.157
96 HD2 PHE 16 1HD PHE 16 -2.114 -2.840 -0.790
97 HE1 PHE 16 2HE PHE 16 1.508 0.019 0.969
98 HE2 PHE 16 1HE PHE 16 -2.588 -0.613 0.022
99 HZ PHE 16 HZ PHE 16 -0.832 0.805 0.890
100 H ASP 17 H ASP 17 1.512 -6.211 -2.906
101 HA ASP 17 HA ASP 17 1.464 -8.732 -1.535
102 HB2 ASP 17 2HB ASP 17 0.208 -8.361 -3.624
103 HB3 ASP 17 1HB ASP 17 1.714 -8.102 -4.478
104 H ARG 18 H ARG 18 3.618 -7.091 -3.731
105 HA ARG 18 HA ARG 18 5.672 -8.971 -3.828
106 HB2 ARG 18 2HB ARG 18 5.390 -6.943 -5.279
107 HB3 ARG 18 1HB ARG 18 5.999 -5.974 -3.947
108 HG2 ARG 18 2HG ARG 18 8.126 -7.093 -4.039
109 HG3 ARG 18 1HG ARG 18 7.521 -8.204 -5.272
110 HD2 ARG 18 2HD ARG 18 7.894 -5.227 -5.533
111 HD3 ARG 18 1HD ARG 18 8.832 -6.489 -6.332
112 HE ARG 18 HE ARG 18 5.947 -6.215 -6.847
113 HH11 ARG 18 1HH1 ARG 18 9.248 -6.339 -7.979
114 HH12 ARG 18 2HH1 ARG 18 8.811 -6.240 -9.660
115 HH21 ARG 18 1HH2 ARG 18 5.348 -6.137 -9.040
116 HH22 ARG 18 2HH2 ARG 18 6.591 -6.145 -10.262
117 H TYR 19 H TYR 19 4.811 -6.719 -1.345
118 HA TYR 19 HA TYR 19 7.315 -7.276 0.096
119 HB2 TYR 19 2HB TYR 19 5.201 -5.164 0.376
120 HB3 TYR 19 1HB TYR 19 6.239 -5.553 1.739
121 HD1 TYR 19 1HD TYR 19 8.145 -6.053 -1.155
122 HD2 TYR 19 2HD TYR 19 6.536 -2.953 1.273
123 HE1 TYR 19 1HE TYR 19 9.875 -4.510 -1.980
124 HE2 TYR 19 2HE TYR 19 8.252 -1.408 0.452
125 HH TYR 19 HH TYR 19 10.445 -1.460 -0.501
126 H LYS 20 H LYS 20 4.293 -8.471 -0.271
127 HA LYS 20 HA LYS 20 2.870 -9.805 0.879
128 HB2 LYS 20 2HB LYS 20 5.381 -10.437 2.400
129 HB3 LYS 20 1HB LYS 20 3.900 -11.370 2.499
130 HG2 LYS 20 2HG LYS 20 4.093 -11.866 0.090
131 HG3 LYS 20 1HG LYS 20 5.632 -11.006 0.064
132 HD2 LYS 20 2HD LYS 20 6.134 -13.323 0.251
133 HD3 LYS 20 1HD LYS 20 6.443 -12.600 1.828
134 HE2 LYS 20 2HE LYS 20 3.853 -13.971 1.139
135 HE3 LYS 20 1HE LYS 20 5.233 -14.830 1.816
136 HZ1 LYS 20 3HZ LYS 20 3.680 -12.640 3.093
137 HZ2 LYS 20 1HZ LYS 20 5.135 -13.253 3.719
138 HZ3 LYS 20 2HZ LYS 20 3.780 -14.258 3.584
139 H LEU 21 H LEU 21 1.965 -7.688 1.651
140 HA LEU 21 HA LEU 21 2.550 -6.949 4.388
141 HB2 LEU 21 2HB LEU 21 0.421 -6.116 2.435
142 HB3 LEU 21 1HB LEU 21 0.535 -5.488 4.057
143 HG LEU 21 HG LEU 21 1.424 -4.154 2.055
144 HD11 LEU 21 1HD1 LEU 21 3.136 -3.103 3.465
145 HD12 LEU 21 2HD1 LEU 21 3.036 -4.478 4.566
146 HD13 LEU 21 3HD1 LEU 21 1.641 -3.423 4.341
147 HD21 LEU 21 3HD2 LEU 21 3.823 -4.393 1.662
148 HD22 LEU 21 1HD2 LEU 21 2.920 -5.802 1.112
149 HD23 LEU 21 2HD2 LEU 21 3.821 -5.870 2.626
150 H ASP 22 H ASP 22 0.946 -6.824 5.951
151 HA ASP 22 HA ASP 22 -1.001 -9.009 5.848
152 HB2 ASP 22 2HB ASP 22 -0.057 -7.272 8.148
153 HB3 ASP 22 1HB ASP 22 -1.299 -8.522 8.286
154 H LYS 23 H LYS 23 -2.438 -8.288 4.595
155 HA LYS 23 HA LYS 23 -3.009 -5.535 4.295
156 HB2 LYS 23 2HB LYS 23 -3.484 -7.799 2.815
157 HB3 LYS 23 1HB LYS 23 -5.092 -7.204 3.229
158 HG2 LYS 23 2HG LYS 23 -3.063 -6.046 1.438
159 HG3 LYS 23 1HG LYS 23 -4.826 -5.801 1.507
160 HD2 LYS 23 2HD LYS 23 -4.104 -3.715 2.086
161 HD3 LYS 23 1HD LYS 23 -4.167 -4.452 3.687
162 HE2 LYS 23 2HE LYS 23 -1.624 -5.029 2.518
163 HE3 LYS 23 1HE LYS 23 -1.934 -3.299 2.351
164 HZ1 LYS 23 3HZ LYS 23 -2.417 -3.245 4.764
165 HZ2 LYS 23 1HZ LYS 23 -0.823 -3.693 4.411
166 HZ3 LYS 23 2HZ LYS 23 -1.951 -4.866 4.877
167 H PHE 24 H PHE 24 -4.515 -8.066 6.208
168 HA PHE 24 HA PHE 24 -6.679 -6.220 6.954
169 HB2 PHE 24 2HB PHE 24 -7.823 -8.302 7.816
170 HB3 PHE 24 1HB PHE 24 -7.595 -8.233 6.073
171 HD1 PHE 24 2HD PHE 24 -6.549 -9.866 9.182
172 HD2 PHE 24 1HD PHE 24 -6.121 -9.765 4.951
173 HE1 PHE 24 2HE PHE 24 -5.445 -12.063 9.247
174 HE2 PHE 24 1HE PHE 24 -5.016 -11.962 5.007
175 HZ PHE 24 HZ PHE 24 -4.676 -13.113 7.156
176 H SER 25 H SER 25 -3.829 -6.521 8.042
177 HA SER 25 HA SER 25 -4.402 -7.214 10.821
178 HB2 SER 25 2HB SER 25 -1.868 -6.791 9.252
179 HB3 SER 25 1HB SER 25 -1.845 -6.933 11.001
180 HG SER 25 HG SER 25 -2.200 -9.008 10.845
181 H THR 26 H THR 26 -2.145 -4.785 9.611
182 HA THR 26 HA THR 26 -3.684 -2.611 10.924
183 HB THR 26 HB THR 26 -1.165 -1.655 11.162
184 HG1 THR 26 1HG THR 26 -0.199 -3.615 10.476
185 HG21 THR 26 3HG2 THR 26 -2.841 -1.743 12.961
186 HG22 THR 26 1HG2 THR 26 -1.264 -2.281 13.541
187 HG23 THR 26 2HG2 THR 26 -2.525 -3.464 13.191
188 H TRP 27 H TRP 27 -3.375 -0.679 10.101
189 HA TRP 27 HA TRP 27 -2.697 -0.636 7.300
190 HB2 TRP 27 2HB TRP 27 -4.211 1.076 7.930
191 HB3 TRP 27 1HB TRP 27 -3.235 1.537 9.321
192 HD1 TRP 27 HD TRP 27 -2.394 3.940 8.742
193 HE1 TRP 27 1HE TRP 27 -1.298 5.152 6.876
194 HE3 TRP 27 3HE TRP 27 -2.696 0.260 5.376
195 HZ2 TRP 27 2HZ TRP 27 -0.767 4.702 4.264
196 HZ3 TRP 27 3HZ TRP 27 -1.976 0.823 3.088
197 HH2 TRP 27 HH TRP 27 -1.175 3.069 2.659
198 H SER 28 H SER 28 -1.184 0.590 10.289
199 HA SER 28 HA SER 28 0.894 1.482 8.618
200 HB2 SER 28 2HB SER 28 2.016 2.202 10.513
201 HB3 SER 28 1HB SER 28 0.645 3.078 9.966
202 HG SER 28 HG SER 28 -0.549 1.839 11.654
203 H LEU 29 H LEU 29 0.887 -1.167 10.971
204 HA LEU 29 HA LEU 29 3.650 -1.478 11.035
205 HB2 LEU 29 2HB LEU 29 1.409 -3.465 11.033
206 HB3 LEU 29 1HB LEU 29 3.054 -4.044 10.868
207 HG LEU 29 HG LEU 29 2.337 -4.183 13.182
208 HD11 LEU 29 1HD1 LEU 29 4.682 -3.726 12.748
209 HD12 LEU 29 2HD1 LEU 29 4.155 -2.924 14.227
210 HD13 LEU 29 3HD1 LEU 29 4.359 -1.993 12.742
211 HD21 LEU 29 3HD2 LEU 29 1.938 -1.197 13.023
212 HD22 LEU 29 1HD2 LEU 29 1.829 -2.178 14.484
213 HD23 LEU 29 2HD2 LEU 29 0.665 -2.406 13.180
214 H GLN 30 H GLN 30 1.366 -1.751 8.626
215 HA GLN 30 HA GLN 30 3.112 -2.838 6.589
216 HB2 GLN 30 2HB GLN 30 0.229 -1.885 6.505
217 HB3 GLN 30 1HB GLN 30 1.101 -2.528 5.098
218 HG2 GLN 30 2HG GLN 30 -0.355 -4.206 6.161
219 HG3 GLN 30 1HG GLN 30 1.328 -4.679 6.160
220 HE21 GLN 30 1HE2 GLN 30 1.301 -6.085 7.827
221 HE22 GLN 30 2HE2 GLN 30 0.934 -5.648 9.454
222 H SER 31 H SER 31 1.448 0.266 7.217
223 HA SER 31 HA SER 31 2.831 1.620 5.206
224 HB2 SER 31 2HB SER 31 1.940 3.732 6.374
225 HB3 SER 31 1HB SER 31 0.902 2.705 5.386
226 HG SER 31 HG SER 31 -0.115 3.097 7.308
227 H LYS 32 H LYS 32 3.267 2.015 8.698
228 HA LYS 32 HA LYS 32 5.524 3.692 8.369
229 HB2 LYS 32 2HB LYS 32 6.113 3.245 10.646
230 HB3 LYS 32 1HB LYS 32 4.367 3.401 10.562
231 HG2 LYS 32 2HG LYS 32 4.092 1.030 10.751
232 HG3 LYS 32 1HG LYS 32 5.834 0.779 10.643
233 HD2 LYS 32 2HD LYS 32 5.033 0.614 12.957
234 HD3 LYS 32 1HD LYS 32 6.159 1.954 12.748
235 HE2 LYS 32 2HE LYS 32 3.206 2.412 12.551
236 HE3 LYS 32 1HE LYS 32 3.980 2.295 14.129
237 HZ1 LYS 32 3HZ LYS 32 5.434 4.129 13.516
238 HZ2 LYS 32 1HZ LYS 32 3.806 4.592 13.395
239 HZ3 LYS 32 2HZ LYS 32 4.698 4.245 11.995
240 H LYS 33 H LYS 33 4.892 0.611 7.514
241 HA LYS 33 HA LYS 33 7.646 -0.393 7.627
242 HB2 LYS 33 2HB LYS 33 5.833 -2.012 7.838
243 HB3 LYS 33 1HB LYS 33 5.151 -1.489 6.310
244 HG2 LYS 33 2HG LYS 33 6.206 -3.338 5.569
245 HG3 LYS 33 1HG LYS 33 7.573 -2.229 5.453
246 HD2 LYS 33 2HD LYS 33 6.975 -4.060 7.778
247 HD3 LYS 33 1HD LYS 33 8.211 -4.324 6.545
248 HE2 LYS 33 2HE LYS 33 8.105 -1.885 8.283
249 HE3 LYS 33 1HE LYS 33 9.006 -3.338 8.731
250 HZ1 LYS 33 3HZ LYS 33 10.466 -3.074 6.945
251 HZ2 LYS 33 1HZ LYS 33 10.277 -1.498 7.540
252 HZ3 LYS 33 2HZ LYS 33 9.458 -1.976 6.134
253 H ILE 34 H ILE 34 5.268 0.547 5.159
254 HA ILE 34 HA ILE 34 7.273 0.305 3.105
255 HB ILE 34 HB ILE 34 5.523 0.688 1.500
256 HG12 ILE 34 2HG1 ILE 34 3.350 0.876 3.606
257 HG13 ILE 34 1HG1 ILE 34 4.212 2.318 3.099
258 HG21 ILE 34 1HG2 ILE 34 4.105 -1.244 2.005
259 HG22 ILE 34 2HG2 ILE 34 4.710 -1.235 3.660
260 HG23 ILE 34 3HG2 ILE 34 5.813 -1.545 2.319
261 HD11 ILE 34 3HD1 ILE 34 2.165 1.951 1.834
262 HD12 ILE 34 1HD1 ILE 34 2.760 0.374 1.315
263 HD13 ILE 34 2HD1 ILE 34 3.578 1.846 0.784
264 H GLU 35 H GLU 35 6.184 2.852 5.078
265 HA GLU 35 HA GLU 35 6.499 5.031 3.341
266 HB2 GLU 35 2HB GLU 35 7.113 6.363 5.402
267 HB3 GLU 35 1HB GLU 35 5.559 5.547 5.426
268 HG2 GLU 35 2HG GLU 35 6.351 3.881 6.874
269 HG3 GLU 35 1HG GLU 35 8.030 4.410 6.692
270 H ASN 36 H ASN 36 8.918 3.038 4.820
271 HA ASN 36 HA ASN 36 11.025 4.931 4.135
272 HB2 ASN 36 2HB ASN 36 11.351 2.125 5.225
273 HB3 ASN 36 1HB ASN 36 12.547 3.416 5.232
274 HD21 ASN 36 1HD2 ASN 36 12.328 5.110 6.725
275 HD22 ASN 36 2HD2 ASN 36 11.307 4.971 8.112
276 H ASP 37 H ASP 37 9.205 3.267 2.289
277 HA ASP 37 HA ASP 37 11.360 2.240 0.569
278 HB2 ASP 37 2HB ASP 37 8.498 1.295 0.874
279 HB3 ASP 37 1HB ASP 37 9.557 0.789 -0.444
280 HA PRO 38 HA PRO 38 10.006 5.127 -2.501
281 HB2 PRO 38 2HB PRO 38 10.464 3.759 -4.795
282 HB3 PRO 38 1HB PRO 38 11.765 4.426 -3.805
283 HG2 PRO 38 2HG PRO 38 10.725 1.623 -3.928
284 HG3 PRO 38 1HG PRO 38 12.405 2.193 -3.866
285 HD2 PRO 38 2HD PRO 38 11.091 1.263 -1.685
286 HD3 PRO 38 1HD PRO 38 12.340 2.521 -1.586
287 H ASP 39 H ASP 39 8.358 2.338 -1.792
288 HA ASP 39 HA ASP 39 6.501 2.371 -3.991
289 HB2 ASP 39 2HB ASP 39 5.552 0.440 -3.072
290 HB3 ASP 39 1HB ASP 39 7.252 0.308 -2.653
291 H PHE 40 H PHE 40 6.294 3.130 -0.478
292 HA PHE 40 HA PHE 40 3.693 4.173 -0.420
293 HB2 PHE 40 2HB PHE 40 5.795 4.035 1.337
294 HB3 PHE 40 1HB PHE 40 5.679 5.761 1.058
295 HD1 PHE 40 1HD PHE 40 2.526 3.788 1.063
296 HD2 PHE 40 2HD PHE 40 5.270 6.056 3.390
297 HE1 PHE 40 1HE PHE 40 0.940 3.835 2.886
298 HE2 PHE 40 2HE PHE 40 3.651 6.105 5.220
299 HZ PHE 40 HZ PHE 40 1.515 4.946 4.966
300 H TYR 41 H TYR 41 6.654 5.569 -1.618
301 HA TYR 41 HA TYR 41 5.730 8.263 -1.781
302 HB2 TYR 41 2HB TYR 41 8.142 6.811 -2.825
303 HB3 TYR 41 1HB TYR 41 7.818 8.473 -3.297
304 HD1 TYR 41 1HD TYR 41 8.483 6.289 -0.346
305 HD2 TYR 41 2HD TYR 41 8.366 10.259 -1.887
306 HE1 TYR 41 1HE TYR 41 9.612 7.104 1.674
307 HE2 TYR 41 2HE TYR 41 9.490 11.079 0.137
308 HH TYR 41 HH TYR 41 10.859 8.912 2.479
309 H LYS 42 H LYS 42 4.824 5.643 -3.588
310 HA LYS 42 HA LYS 42 4.885 6.756 -6.213
311 HB2 LYS 42 2HB LYS 42 3.347 4.485 -4.976
312 HB3 LYS 42 1HB LYS 42 3.097 4.965 -6.649
313 HG2 LYS 42 2HG LYS 42 5.752 4.157 -5.485
314 HG3 LYS 42 1HG LYS 42 4.676 3.081 -6.381
315 HD2 LYS 42 2HD LYS 42 4.911 4.363 -8.366
316 HD3 LYS 42 1HD LYS 42 5.713 5.675 -7.504
317 HE2 LYS 42 2HE LYS 42 6.834 2.895 -7.770
318 HE3 LYS 42 1HE LYS 42 7.232 4.224 -8.856
319 HZ1 LYS 42 3HZ LYS 42 8.896 3.981 -7.128
320 HZ2 LYS 42 1HZ LYS 42 7.717 4.184 -5.923
321 HZ3 LYS 42 2HZ LYS 42 8.089 5.465 -6.967
322 H ILE 43 H ILE 43 2.775 7.093 -3.504
323 HA ILE 43 HA ILE 43 1.142 8.948 -5.106
324 HB ILE 43 HB ILE 43 0.169 7.393 -2.695
325 HG12 ILE 43 2HG1 ILE 43 -0.426 6.977 -5.637
326 HG13 ILE 43 1HG1 ILE 43 0.476 5.885 -4.597
327 HG21 ILE 43 1HG2 ILE 43 -1.287 9.192 -4.628
328 HG22 ILE 43 2HG2 ILE 43 -0.894 9.562 -2.949
329 HG23 ILE 43 3HG2 ILE 43 -2.031 8.269 -3.324
330 HD11 ILE 43 3HD1 ILE 43 -1.783 5.087 -4.970
331 HD12 ILE 43 1HD1 ILE 43 -2.435 6.587 -4.307
332 HD13 ILE 43 2HD1 ILE 43 -1.527 5.485 -3.271
333 H ARG 44 H ARG 44 1.111 11.011 -4.354
334 HA ARG 44 HA ARG 44 2.946 11.845 -2.385
335 HB2 ARG 44 2HB ARG 44 0.528 13.413 -3.284
336 HB3 ARG 44 1HB ARG 44 2.031 14.048 -2.635
337 HG2 ARG 44 2HG ARG 44 3.148 13.104 -4.681
338 HG3 ARG 44 1HG ARG 44 1.532 12.846 -5.334
339 HD2 ARG 44 2HD ARG 44 1.058 15.260 -4.882
340 HD3 ARG 44 1HD ARG 44 2.757 15.461 -4.471
341 HE ARG 44 HE ARG 44 3.132 14.632 -6.864
342 HH11 ARG 44 1HH1 ARG 44 0.389 16.519 -5.796
343 HH12 ARG 44 2HH1 ARG 44 0.120 17.256 -7.352
344 HH21 ARG 44 1HH2 ARG 44 2.830 15.644 -8.903
345 HH22 ARG 44 2HH2 ARG 44 1.508 16.760 -9.108
346 H ASP 45 H ASP 45 -0.562 11.925 -2.390
347 HA ASP 45 HA ASP 45 -0.742 12.545 0.392
348 HB2 ASP 45 2HB ASP 45 -3.227 12.123 -0.018
349 HB3 ASP 45 1HB ASP 45 -2.475 13.427 -0.932
350 H ASP 46 H ASP 46 -1.267 11.325 2.074
351 HA ASP 46 HA ASP 46 -0.821 8.441 1.827
352 HB2 ASP 46 2HB ASP 46 0.365 9.867 3.524
353 HB3 ASP 46 1HB ASP 46 -1.186 10.168 4.295
354 H THR 47 H THR 47 -3.383 10.650 2.075
355 HA THR 47 HA THR 47 -5.216 9.262 3.697
356 HB THR 47 HB THR 47 -6.064 11.054 1.442
357 HG1 THR 47 1HG THR 47 -4.603 11.733 3.791
358 HG21 THR 47 3HG2 THR 47 -6.993 10.745 4.299
359 HG22 THR 47 1HG2 THR 47 -7.794 10.083 2.873
360 HG23 THR 47 2HG2 THR 47 -7.693 11.829 3.098
361 H VAL 48 H VAL 48 -4.251 8.787 0.419
362 HA VAL 48 HA VAL 48 -6.567 7.069 -0.085
363 HB VAL 48 HB VAL 48 -4.430 8.102 -1.963
364 HG11 VAL 48 1HG1 VAL 48 -5.749 7.102 -3.775
365 HG12 VAL 48 2HG1 VAL 48 -6.827 6.370 -2.586
366 HG13 VAL 48 3HG1 VAL 48 -5.138 5.869 -2.671
367 HG21 VAL 48 3HG2 VAL 48 -7.375 8.709 -1.725
368 HG22 VAL 48 1HG2 VAL 48 -6.295 9.342 -2.967
369 HG23 VAL 48 2HG2 VAL 48 -6.048 9.779 -1.276
370 H ARG 49 H ARG 49 -3.273 6.954 0.803
371 HA ARG 49 HA ARG 49 -2.451 4.531 -0.395
372 HB2 ARG 49 2HB ARG 49 -1.543 5.791 2.184
373 HB3 ARG 49 1HB ARG 49 -0.724 4.490 1.391
374 HG2 ARG 49 2HG ARG 49 -0.270 5.915 -0.523
375 HG3 ARG 49 1HG ARG 49 -1.128 7.226 0.283
376 HD2 ARG 49 2HD ARG 49 0.457 7.048 2.167
377 HD3 ARG 49 1HD ARG 49 1.346 5.837 1.258
378 HE ARG 49 HE ARG 49 1.419 7.875 -0.441
379 HH11 ARG 49 1HH1 ARG 49 1.836 7.878 3.037
380 HH12 ARG 49 2HH1 ARG 49 3.083 9.095 3.006
381 HH21 ARG 49 1HH2 ARG 49 3.044 9.478 -0.478
382 HH22 ARG 49 2HH2 ARG 49 3.763 10.012 1.018
383 H GLU 50 H GLU 50 -3.778 5.167 2.863
384 HA GLU 50 HA GLU 50 -3.865 2.327 3.295
385 HB2 GLU 50 2HB GLU 50 -5.249 3.293 5.325
386 HB3 GLU 50 1HB GLU 50 -3.588 2.998 5.354
387 HG2 GLU 50 2HG GLU 50 -4.163 4.966 6.287
388 HG3 GLU 50 1HG GLU 50 -3.087 5.239 5.056
389 H SER 51 H SER 51 -5.991 4.648 2.072
390 HA SER 51 HA SER 51 -8.272 2.939 2.147
391 HB2 SER 51 2HB SER 51 -7.529 4.975 0.018
392 HB3 SER 51 1HB SER 51 -9.138 4.305 0.299
393 HG SER 51 HG SER 51 -7.694 6.197 1.789
394 H LEU 52 H LEU 52 -5.300 2.482 0.749
395 HA LEU 52 HA LEU 52 -6.020 1.247 -1.638
396 HB2 LEU 52 2HB LEU 52 -3.503 1.472 -0.176
397 HB3 LEU 52 1HB LEU 52 -3.567 0.597 -1.635
398 HG LEU 52 HG LEU 52 -4.350 3.499 -1.348
399 HD11 LEU 52 1HD1 LEU 52 -1.962 3.225 -1.210
400 HD12 LEU 52 2HD1 LEU 52 -2.436 4.024 -2.711
401 HD13 LEU 52 3HD1 LEU 52 -1.972 2.323 -2.724
402 HD21 LEU 52 3HD2 LEU 52 -4.531 3.535 -3.777
403 HD22 LEU 52 1HD2 LEU 52 -5.683 2.419 -3.043
404 HD23 LEU 52 2HD2 LEU 52 -4.226 1.799 -3.820
405 H PHE 53 H PHE 53 -4.958 0.371 1.103
406 HA PHE 53 HA PHE 53 -4.161 -2.214 0.633
407 HB2 PHE 53 2HB PHE 53 -3.105 -1.114 2.203
408 HB3 PHE 53 1HB PHE 53 -4.322 0.176 1.922
409 HD1 PHE 53 1HD PHE 53 -6.225 0.223 3.427
410 HD2 PHE 53 2HD PHE 53 -2.987 -2.344 4.200
411 HE1 PHE 53 1HE PHE 53 -6.987 0.006 5.780
412 HE2 PHE 53 2HE PHE 53 -3.703 -2.599 6.549
413 HZ PHE 53 HZ PHE 53 -5.715 -1.415 7.346
414 H GLU 54 H GLU 54 -6.905 -0.603 2.102
415 HA GLU 54 HA GLU 54 -8.396 -2.730 3.131
416 HB2 GLU 54 2HB GLU 54 -9.919 -0.688 1.602
417 HB3 GLU 54 1HB GLU 54 -10.195 -1.306 3.219
418 HG2 GLU 54 2HG GLU 54 -8.258 0.032 3.989
419 HG3 GLU 54 1HG GLU 54 -8.189 0.740 2.371
420 H GLU 55 H GLU 55 -8.355 -1.380 -0.119
421 HA GLU 55 HA GLU 55 -10.364 -3.100 -1.144
422 HB2 GLU 55 2HB GLU 55 -8.297 -1.371 -2.501
423 HB3 GLU 55 1HB GLU 55 -9.570 -2.227 -3.362
424 HG2 GLU 55 2HG GLU 55 -10.127 -0.249 -1.174
425 HG3 GLU 55 1HG GLU 55 -9.999 0.199 -2.874
426 H TRP 56 H TRP 56 -6.811 -3.097 -1.569
427 HA TRP 56 HA TRP 56 -6.691 -5.339 -3.218
428 HB2 TRP 56 2HB TRP 56 -4.830 -4.013 -3.176
429 HB3 TRP 56 1HB TRP 56 -4.733 -4.076 -1.436
430 HD1 TRP 56 HD TRP 56 -4.029 -6.579 -4.175
431 HE1 TRP 56 1HE TRP 56 -2.279 -8.263 -3.339
432 HE3 TRP 56 3HE TRP 56 -3.446 -4.219 -0.534
433 HZ2 TRP 56 2HZ TRP 56 -0.559 -8.133 -0.981
434 HZ3 TRP 56 3HZ TRP 56 -1.732 -4.584 0.560
435 HH2 TRP 56 HH TRP 56 -0.269 -6.515 0.768
436 H CYS 57 H CYS 57 -7.126 -4.995 0.070
437 HA CYS 57 HA CYS 57 -6.116 -7.365 1.183
438 HB2 CYS 57 2HB CYS 57 -6.811 -5.403 2.525
439 HB3 CYS 57 1HB CYS 57 -8.493 -5.741 2.128
440 HG CYS 57 HG CYS 57 -8.584 -8.170 3.486
441 H GLY 58 H GLY 58 -9.406 -6.483 0.143
442 HA2 GLY 58 2HA GLY 58 -10.009 -9.369 -0.153
443 HA3 GLY 58 1HA GLY 58 -11.225 -8.140 0.201
444 H GLU 59 H GLU 59 -8.537 -8.028 -2.032
445 HA GLU 59 HA GLU 59 -10.263 -6.830 -4.011
446 HB2 GLU 59 2HB GLU 59 -7.916 -6.034 -3.295
447 HB3 GLU 59 1HB GLU 59 -7.316 -7.403 -4.252
448 HG2 GLU 59 2HG GLU 59 -7.223 -5.368 -5.556
449 HG3 GLU 59 1HG GLU 59 -8.350 -6.515 -6.271
Start of MODEL 7
1 H1 ASP 5 H ASP 5 -7.276 6.953 -8.876
2 HA ASP 5 HA ASP 5 -10.140 6.685 -8.530
3 HB2 ASP 5 2HB ASP 5 -9.929 8.914 -9.623
4 HB3 ASP 5 1HB ASP 5 -9.076 8.148 -10.960
5 H ILE 6 H ILE 6 -9.102 4.633 -8.308
6 HA ILE 6 HA ILE 6 -8.227 2.659 -8.921
7 HB ILE 6 HB ILE 6 -9.536 1.402 -10.529
8 HG12 ILE 6 2HG1 ILE 6 -11.147 3.941 -10.893
9 HG13 ILE 6 1HG1 ILE 6 -10.081 3.247 -12.109
10 HG21 ILE 6 1HG2 ILE 6 -11.103 3.015 -8.525
11 HG22 ILE 6 2HG2 ILE 6 -10.211 1.526 -8.217
12 HG23 ILE 6 3HG2 ILE 6 -11.641 1.498 -9.246
13 HD11 ILE 6 3HD1 ILE 6 -12.550 1.950 -10.977
14 HD12 ILE 6 1HD1 ILE 6 -11.483 1.250 -12.195
15 HD13 ILE 6 2HD1 ILE 6 -12.402 2.711 -12.562
16 H ASP 7 H ASP 7 -6.244 2.927 -9.502
17 HA ASP 7 HA ASP 7 -5.434 1.886 -11.800
18 HB2 ASP 7 2HB ASP 7 -5.993 3.873 -13.032
19 HB3 ASP 7 1HB ASP 7 -4.982 4.780 -11.910
20 H GLU 8 H GLU 8 -4.816 3.956 -9.922
21 HA GLU 8 HA GLU 8 -1.973 3.579 -9.434
22 HB2 GLU 8 2HB GLU 8 -2.054 5.476 -7.956
23 HB3 GLU 8 1HB GLU 8 -2.995 5.857 -9.389
24 HG2 GLU 8 2HG GLU 8 -4.098 5.013 -6.717
25 HG3 GLU 8 1HG GLU 8 -4.087 6.653 -7.368
26 H ARG 9 H ARG 9 -4.978 2.952 -7.776
27 HA ARG 9 HA ARG 9 -4.086 2.176 -5.276
28 HB2 ARG 9 2HB ARG 9 -6.180 0.892 -5.152
29 HB3 ARG 9 1HB ARG 9 -6.443 2.437 -5.936
30 HG2 ARG 9 2HG ARG 9 -6.359 1.318 -8.128
31 HG3 ARG 9 1HG ARG 9 -6.193 -0.222 -7.299
32 HD2 ARG 9 2HD ARG 9 -8.493 1.487 -6.571
33 HD3 ARG 9 1HD ARG 9 -8.533 0.700 -8.134
34 HE ARG 9 HE ARG 9 -7.980 -1.374 -6.601
35 HH11 ARG 9 1HH1 ARG 9 -10.252 1.223 -5.988
36 HH12 ARG 9 2HH1 ARG 9 -11.355 0.214 -5.105
37 HH21 ARG 9 1HH2 ARG 9 -9.472 -2.718 -5.501
38 HH22 ARG 9 2HH2 ARG 9 -10.926 -2.005 -4.849
39 H ASN 10 H ASN 10 -4.472 0.206 -8.175
40 HA ASN 10 HA ASN 10 -3.816 -2.275 -6.925
41 HB2 ASN 10 2HB ASN 10 -3.753 -1.513 -9.878
42 HB3 ASN 10 1HB ASN 10 -3.704 -3.156 -9.239
43 HD21 ASN 10 1HD2 ASN 10 -5.675 -0.363 -9.811
44 HD22 ASN 10 2HD2 ASN 10 -7.205 -1.080 -9.412
45 H ILE 11 H ILE 11 -1.892 0.315 -8.062
46 HA ILE 11 HA ILE 11 0.507 -1.098 -8.444
47 HB ILE 11 HB ILE 11 0.134 1.696 -7.340
48 HG12 ILE 11 2HG1 ILE 11 0.651 0.765 -10.176
49 HG13 ILE 11 1HG1 ILE 11 -0.881 1.383 -9.568
50 HG21 ILE 11 1HG2 ILE 11 2.568 0.380 -8.544
51 HG22 ILE 11 2HG2 ILE 11 2.348 0.817 -6.850
52 HG23 ILE 11 3HG2 ILE 11 2.444 2.077 -8.080
53 HD11 ILE 11 3HD1 ILE 11 1.694 2.932 -9.738
54 HD12 ILE 11 1HD1 ILE 11 0.149 3.550 -9.154
55 HD13 ILE 11 2HD1 ILE 11 0.324 3.067 -10.839
56 H PHE 12 H PHE 12 -1.003 0.319 -5.516
57 HA PHE 12 HA PHE 12 1.295 -0.214 -3.917
58 HB2 PHE 12 2HB PHE 12 -1.444 0.812 -3.426
59 HB3 PHE 12 1HB PHE 12 -0.566 0.175 -2.043
60 HD1 PHE 12 1HD PHE 12 0.523 2.196 -5.012
61 HD2 PHE 12 2HD PHE 12 0.166 1.992 -0.756
62 HE1 PHE 12 1HE PHE 12 1.667 4.354 -4.799
63 HE2 PHE 12 2HE PHE 12 1.325 4.140 -0.565
64 HZ PHE 12 HZ PHE 12 2.072 5.328 -2.582
65 H PHE 13 H PHE 13 -1.949 -1.783 -3.828
66 HA PHE 13 HA PHE 13 -1.892 -4.290 -2.396
67 HB2 PHE 13 2HB PHE 13 -2.128 -4.181 -5.086
68 HB3 PHE 13 1HB PHE 13 -3.077 -4.942 -4.079
69 HD1 PHE 13 2HD PHE 13 -3.226 -1.737 -2.901
70 HD2 PHE 13 1HD PHE 13 -4.507 -4.134 -6.177
71 HE1 PHE 13 2HE PHE 13 -5.216 -0.314 -3.187
72 HE2 PHE 13 1HE PHE 13 -6.501 -2.744 -6.430
73 HZ PHE 13 HZ PHE 13 -6.860 -0.841 -4.943
74 H GLU 14 H GLU 14 -0.417 -3.574 -5.671
75 HA GLU 14 HA GLU 14 0.698 -6.187 -5.891
76 HB2 GLU 14 2HB GLU 14 1.200 -3.632 -7.407
77 HB3 GLU 14 1HB GLU 14 2.111 -5.098 -7.739
78 HG2 GLU 14 2HG GLU 14 -0.881 -4.847 -7.899
79 HG3 GLU 14 1HG GLU 14 0.224 -4.768 -9.270
80 H LEU 15 H LEU 15 2.072 -3.035 -5.088
81 HA LEU 15 HA LEU 15 4.638 -3.948 -4.321
82 HB2 LEU 15 2HB LEU 15 3.256 -1.721 -2.868
83 HB3 LEU 15 1HB LEU 15 4.932 -1.844 -3.347
84 HG LEU 15 HG LEU 15 2.625 -1.339 -5.191
85 HD11 LEU 15 1HD1 LEU 15 3.019 0.551 -3.739
86 HD12 LEU 15 2HD1 LEU 15 3.525 0.920 -5.387
87 HD13 LEU 15 3HD1 LEU 15 4.731 0.541 -4.158
88 HD21 LEU 15 3HD2 LEU 15 4.349 -0.866 -6.874
89 HD22 LEU 15 1HD2 LEU 15 4.433 -2.532 -6.302
90 HD23 LEU 15 2HD2 LEU 15 5.595 -1.340 -5.720
91 H PHE 16 H PHE 16 1.433 -4.002 -2.850
92 HA PHE 16 HA PHE 16 2.343 -4.120 -0.188
93 HB2 PHE 16 2HB PHE 16 -0.077 -4.260 -1.796
94 HB3 PHE 16 1HB PHE 16 -0.193 -4.742 -0.148
95 HD1 PHE 16 1HD PHE 16 2.027 -2.156 0.025
96 HD2 PHE 16 2HD PHE 16 -2.143 -2.838 -0.895
97 HE1 PHE 16 1HE PHE 16 1.476 0.150 0.682
98 HE2 PHE 16 2HE PHE 16 -2.617 -0.550 -0.228
99 HZ PHE 16 HZ PHE 16 -0.862 0.926 0.552
100 H ASP 17 H ASP 17 1.360 -6.335 -2.661
101 HA ASP 17 HA ASP 17 1.526 -8.682 -1.012
102 HB2 ASP 17 2HB ASP 17 0.096 -8.266 -3.158
103 HB3 ASP 17 1HB ASP 17 1.569 -8.702 -4.014
104 H ARG 18 H ARG 18 3.510 -7.069 -3.399
105 HA ARG 18 HA ARG 18 5.558 -8.978 -3.618
106 HB2 ARG 18 2HB ARG 18 5.206 -7.014 -5.126
107 HB3 ARG 18 1HB ARG 18 5.827 -5.977 -3.849
108 HG2 ARG 18 2HG ARG 18 7.963 -7.169 -3.935
109 HG3 ARG 18 1HG ARG 18 7.338 -8.169 -5.244
110 HD2 ARG 18 2HD ARG 18 6.947 -6.067 -6.545
111 HD3 ARG 18 1HD ARG 18 7.798 -5.193 -5.270
112 HE ARG 18 HE ARG 18 9.050 -7.346 -6.860
113 HH11 ARG 18 1HH1 ARG 18 9.143 -4.188 -5.348
114 HH12 ARG 18 2HH1 ARG 18 10.794 -3.877 -5.779
115 HH21 ARG 18 1HH2 ARG 18 11.191 -6.930 -7.492
116 HH22 ARG 18 2HH2 ARG 18 11.968 -5.443 -7.022
117 H TYR 19 H TYR 19 4.836 -6.612 -1.208
118 HA TYR 19 HA TYR 19 7.351 -7.224 0.205
119 HB2 TYR 19 2HB TYR 19 5.427 -4.893 0.483
120 HB3 TYR 19 1HB TYR 19 6.725 -5.206 1.625
121 HD1 TYR 19 2HD TYR 19 6.523 -5.130 -2.130
122 HD2 TYR 19 1HD TYR 19 8.447 -3.670 1.374
123 HE1 TYR 19 2HE TYR 19 8.060 -3.819 -3.524
124 HE2 TYR 19 1HE TYR 19 9.984 -2.360 -0.012
125 HH TYR 19 HH TYR 19 9.454 -1.580 -3.108
126 H LYS 20 H LYS 20 4.652 -8.560 -0.152
127 HA LYS 20 HA LYS 20 2.825 -9.303 1.007
128 HB2 LYS 20 2HB LYS 20 3.496 -11.197 2.440
129 HB3 LYS 20 1HB LYS 20 4.273 -11.167 0.869
130 HG2 LYS 20 2HG LYS 20 6.302 -10.237 1.945
131 HG3 LYS 20 1HG LYS 20 5.508 -10.430 3.513
132 HD2 LYS 20 2HD LYS 20 5.234 -12.842 3.032
133 HD3 LYS 20 1HD LYS 20 6.129 -12.618 1.529
134 HE2 LYS 20 2HE LYS 20 8.047 -11.785 2.893
135 HE3 LYS 20 1HE LYS 20 7.143 -12.237 4.339
136 HZ1 LYS 20 3HZ LYS 20 8.236 -14.001 2.233
137 HZ2 LYS 20 1HZ LYS 20 7.018 -14.533 3.290
138 HZ3 LYS 20 2HZ LYS 20 8.521 -14.048 3.904
139 H LEU 21 H LEU 21 1.951 -7.453 1.916
140 HA LEU 21 HA LEU 21 2.598 -6.806 4.678
141 HB2 LEU 21 2HB LEU 21 0.537 -5.901 2.671
142 HB3 LEU 21 1HB LEU 21 0.698 -5.169 4.244
143 HG LEU 21 HG LEU 21 2.546 -5.101 1.921
144 HD11 LEU 21 1HD1 LEU 21 1.349 -2.939 3.607
145 HD12 LEU 21 2HD1 LEU 21 0.847 -3.403 1.981
146 HD13 LEU 21 3HD1 LEU 21 2.440 -2.691 2.245
147 HD21 LEU 21 3HD2 LEU 21 4.234 -3.991 3.297
148 HD22 LEU 21 1HD2 LEU 21 3.950 -5.651 3.819
149 HD23 LEU 21 2HD2 LEU 21 3.256 -4.310 4.730
150 H ASP 22 H ASP 22 0.444 -6.437 5.943
151 HA ASP 22 HA ASP 22 -1.448 -8.650 5.526
152 HB2 ASP 22 2HB ASP 22 -0.408 -7.453 8.079
153 HB3 ASP 22 1HB ASP 22 -1.929 -8.340 8.040
154 H LYS 23 H LYS 23 -2.827 -7.675 4.391
155 HA LYS 23 HA LYS 23 -3.340 -4.887 4.320
156 HB2 LYS 23 2HB LYS 23 -5.048 -7.107 3.208
157 HB3 LYS 23 1HB LYS 23 -4.999 -5.414 2.690
158 HG2 LYS 23 2HG LYS 23 -3.269 -5.908 1.305
159 HG3 LYS 23 1HG LYS 23 -2.396 -6.298 2.764
160 HD2 LYS 23 2HD LYS 23 -4.093 -8.487 2.231
161 HD3 LYS 23 1HD LYS 23 -3.147 -8.092 0.784
162 HE2 LYS 23 2HE LYS 23 -2.229 -8.909 3.480
163 HE3 LYS 23 1HE LYS 23 -1.620 -9.374 1.894
164 HZ1 LYS 23 3HZ LYS 23 0.011 -7.984 2.735
165 HZ2 LYS 23 1HZ LYS 23 -1.068 -6.817 3.422
166 HZ3 LYS 23 2HZ LYS 23 -0.862 -6.970 1.713
167 H PHE 24 H PHE 24 -4.480 -7.418 6.316
168 HA PHE 24 HA PHE 24 -7.065 -6.235 6.987
169 HB2 PHE 24 2HB PHE 24 -5.789 -8.803 7.962
170 HB3 PHE 24 1HB PHE 24 -7.443 -8.297 8.259
171 HD1 PHE 24 2HD PHE 24 -5.083 -9.403 5.639
172 HD2 PHE 24 1HD PHE 24 -9.151 -8.760 6.715
173 HE1 PHE 24 2HE PHE 24 -5.805 -10.630 3.631
174 HE2 PHE 24 1HE PHE 24 -9.879 -9.995 4.715
175 HZ PHE 24 HZ PHE 24 -8.207 -10.928 3.170
176 H SER 25 H SER 25 -3.992 -7.123 8.503
177 HA SER 25 HA SER 25 -4.805 -6.912 11.169
178 HB2 SER 25 2HB SER 25 -2.828 -8.176 10.467
179 HB3 SER 25 1HB SER 25 -2.025 -6.694 9.977
180 HG SER 25 HG SER 25 -1.333 -7.332 12.033
181 H THR 26 H THR 26 -2.265 -4.796 9.911
182 HA THR 26 HA THR 26 -3.650 -2.412 11.040
183 HB THR 26 HB THR 26 -1.114 -1.594 10.988
184 HG1 THR 26 1HG THR 26 -0.342 -3.601 10.190
185 HG21 THR 26 3HG2 THR 26 -2.547 -1.626 12.992
186 HG22 THR 26 1HG2 THR 26 -0.915 -2.180 13.366
187 HG23 THR 26 2HG2 THR 26 -2.225 -3.348 13.201
188 H TRP 27 H TRP 27 -3.232 -0.586 10.014
189 HA TRP 27 HA TRP 27 -2.892 -0.882 7.158
190 HB2 TRP 27 2HB TRP 27 -4.177 0.982 7.629
191 HB3 TRP 27 1HB TRP 27 -3.238 1.398 9.055
192 HD1 TRP 27 HD TRP 27 -2.235 3.702 8.573
193 HE1 TRP 27 1HE TRP 27 -1.103 4.963 6.763
194 HE3 TRP 27 3HE TRP 27 -2.676 0.187 5.078
195 HZ2 TRP 27 2HZ TRP 27 -0.582 4.589 4.115
196 HZ3 TRP 27 3HZ TRP 27 -1.941 0.801 2.805
197 HH2 TRP 27 HH TRP 27 -1.064 3.029 2.448
198 H SER 28 H SER 28 -0.982 0.540 9.791
199 HA SER 28 HA SER 28 1.013 1.027 7.867
200 HB2 SER 28 2HB SER 28 2.334 1.812 9.651
201 HB3 SER 28 1HB SER 28 1.035 2.786 9.068
202 HG SER 28 HG SER 28 0.229 2.760 11.043
203 H LEU 29 H LEU 29 0.888 -1.381 10.448
204 HA LEU 29 HA LEU 29 3.613 -1.886 10.562
205 HB2 LEU 29 2HB LEU 29 1.576 -3.202 11.625
206 HB3 LEU 29 1HB LEU 29 1.740 -4.200 10.198
207 HG LEU 29 HG LEU 29 4.064 -4.718 10.808
208 HD11 LEU 29 1HD1 LEU 29 4.579 -2.663 12.024
209 HD12 LEU 29 2HD1 LEU 29 4.920 -4.091 13.002
210 HD13 LEU 29 3HD1 LEU 29 3.467 -3.139 13.306
211 HD21 LEU 29 3HD2 LEU 29 2.275 -6.202 11.536
212 HD22 LEU 29 1HD2 LEU 29 2.063 -5.245 13.003
213 HD23 LEU 29 2HD2 LEU 29 3.562 -6.136 12.740
214 H GLN 30 H GLN 30 1.291 -2.243 8.161
215 HA GLN 30 HA GLN 30 3.025 -3.605 6.275
216 HB2 GLN 30 2HB GLN 30 0.182 -2.665 5.679
217 HB3 GLN 30 1HB GLN 30 1.190 -3.719 4.753
218 HG2 GLN 30 2HG GLN 30 -0.629 -4.782 5.997
219 HG3 GLN 30 1HG GLN 30 0.939 -5.476 6.254
220 HE21 GLN 30 1HE2 GLN 30 0.580 -6.415 8.188
221 HE22 GLN 30 2HE2 GLN 30 0.213 -5.554 9.637
222 H SER 31 H SER 31 1.422 -0.432 6.622
223 HA SER 31 HA SER 31 2.830 0.608 4.421
224 HB2 SER 31 2HB SER 31 1.842 2.778 4.908
225 HB3 SER 31 1HB SER 31 0.688 1.486 4.639
226 HG SER 31 HG SER 31 0.192 2.758 6.485
227 H LYS 32 H LYS 32 3.203 1.358 7.846
228 HA LYS 32 HA LYS 32 5.149 3.347 7.409
229 HB2 LYS 32 2HB LYS 32 5.737 3.182 9.735
230 HB3 LYS 32 1HB LYS 32 3.992 3.062 9.585
231 HG2 LYS 32 2HG LYS 32 3.975 0.806 10.147
232 HG3 LYS 32 1HG LYS 32 5.692 0.605 9.798
233 HD2 LYS 32 2HD LYS 32 5.257 0.612 12.211
234 HD3 LYS 32 1HD LYS 32 6.264 1.977 11.731
235 HE2 LYS 32 2HE LYS 32 4.714 2.889 13.230
236 HE3 LYS 32 1HE LYS 32 4.090 3.318 11.639
237 HZ1 LYS 32 3HZ LYS 32 2.340 2.519 13.103
238 HZ2 LYS 32 1HZ LYS 32 3.149 1.048 13.311
239 HZ3 LYS 32 2HZ LYS 32 2.534 1.474 11.791
240 H LYS 33 H LYS 33 5.226 0.128 6.751
241 HA LYS 33 HA LYS 33 8.150 -0.035 7.102
242 HB2 LYS 33 2HB LYS 33 8.047 -2.404 6.731
243 HB3 LYS 33 1HB LYS 33 6.860 -1.984 7.950
244 HG2 LYS 33 2HG LYS 33 5.097 -2.470 6.590
245 HG3 LYS 33 1HG LYS 33 6.012 -2.171 5.113
246 HD2 LYS 33 2HD LYS 33 5.423 -4.578 5.569
247 HD3 LYS 33 1HD LYS 33 7.127 -4.251 5.270
248 HE2 LYS 33 2HE LYS 33 6.122 -4.300 8.081
249 HE3 LYS 33 1HE LYS 33 6.371 -5.823 7.229
250 HZ1 LYS 33 3HZ LYS 33 8.373 -5.374 8.342
251 HZ2 LYS 33 1HZ LYS 33 8.389 -3.745 7.868
252 HZ3 LYS 33 2HZ LYS 33 8.670 -4.963 6.726
253 H ILE 34 H ILE 34 5.608 0.038 4.677
254 HA ILE 34 HA ILE 34 7.542 -0.163 2.520
255 HB ILE 34 HB ILE 34 5.802 0.004 0.976
256 HG12 ILE 34 2HG1 ILE 34 3.563 0.821 2.832
257 HG13 ILE 34 1HG1 ILE 34 4.764 2.028 2.389
258 HG21 ILE 34 1HG2 ILE 34 4.078 -1.573 1.696
259 HG22 ILE 34 2HG2 ILE 34 4.642 -1.403 3.358
260 HG23 ILE 34 3HG2 ILE 34 5.708 -2.087 2.131
261 HD11 ILE 34 3HD1 ILE 34 2.850 2.013 0.871
262 HD12 ILE 34 1HD1 ILE 34 3.183 0.329 0.467
263 HD13 ILE 34 2HD1 ILE 34 4.337 1.587 0.025
264 H GLU 35 H GLU 35 6.585 2.053 4.691
265 HA GLU 35 HA GLU 35 6.222 4.486 3.617
266 HB2 GLU 35 2HB GLU 35 6.380 3.887 6.045
267 HB3 GLU 35 1HB GLU 35 8.131 3.976 5.893
268 HG2 GLU 35 2HG GLU 35 7.000 6.331 4.815
269 HG3 GLU 35 1HG GLU 35 6.300 6.047 6.397
270 H ASN 36 H ASN 36 9.421 3.933 4.847
271 HA ASN 36 HA ASN 36 10.862 5.679 3.342
272 HB2 ASN 36 2HB ASN 36 11.694 3.002 4.451
273 HB3 ASN 36 1HB ASN 36 12.834 4.111 3.697
274 HD21 ASN 36 1HD2 ASN 36 11.516 6.494 4.691
275 HD22 ASN 36 2HD2 ASN 36 11.889 6.582 6.376
276 H ASP 37 H ASP 37 9.608 2.636 2.206
277 HA ASP 37 HA ASP 37 11.344 2.370 -0.038
278 HB2 ASP 37 2HB ASP 37 8.558 1.266 0.417
279 HB3 ASP 37 1HB ASP 37 9.612 0.795 -0.910
280 HA PRO 38 HA PRO 38 9.729 5.577 -2.665
281 HB2 PRO 38 2HB PRO 38 10.340 3.715 -4.887
282 HB3 PRO 38 1HB PRO 38 10.907 5.364 -4.616
283 HG2 PRO 38 2HG PRO 38 12.531 3.283 -4.254
284 HG3 PRO 38 1HG PRO 38 12.591 4.689 -3.175
285 HD2 PRO 38 2HD PRO 38 11.352 2.003 -2.722
286 HD3 PRO 38 1HD PRO 38 12.266 3.028 -1.596
287 H ASP 39 H ASP 39 8.499 2.472 -2.375
288 HA ASP 39 HA ASP 39 6.487 2.583 -4.399
289 HB2 ASP 39 2HB ASP 39 6.976 0.729 -2.071
290 HB3 ASP 39 1HB ASP 39 5.620 0.534 -3.181
291 H PHE 40 H PHE 40 6.604 3.340 -0.938
292 HA PHE 40 HA PHE 40 3.827 3.873 -0.591
293 HB2 PHE 40 2HB PHE 40 5.999 3.893 1.028
294 HB3 PHE 40 1HB PHE 40 5.810 5.613 0.765
295 HD1 PHE 40 2HD PHE 40 2.732 3.510 1.004
296 HD2 PHE 40 1HD PHE 40 5.553 5.921 3.106
297 HE1 PHE 40 2HE PHE 40 1.279 3.535 2.923
298 HE2 PHE 40 1HE PHE 40 4.066 5.926 5.046
299 HZ PHE 40 HZ PHE 40 1.962 4.686 4.945
300 H TYR 41 H TYR 41 6.492 5.622 -1.983
301 HA TYR 41 HA TYR 41 5.054 8.144 -2.055
302 HB2 TYR 41 2HB TYR 41 7.802 7.508 -3.138
303 HB3 TYR 41 1HB TYR 41 7.123 9.105 -2.843
304 HD1 TYR 41 2HD TYR 41 5.926 8.727 -0.157
305 HD2 TYR 41 1HD TYR 41 9.648 7.392 -1.724
306 HE1 TYR 41 2HE TYR 41 6.860 8.675 2.115
307 HE2 TYR 41 1HE TYR 41 10.588 7.331 0.544
308 HH TYR 41 HH TYR 41 8.730 7.416 3.296
309 H LYS 42 H LYS 42 4.528 5.600 -3.778
310 HA LYS 42 HA LYS 42 4.752 6.570 -6.460
311 HB2 LYS 42 2HB LYS 42 3.013 4.410 -5.252
312 HB3 LYS 42 1HB LYS 42 3.090 4.744 -6.971
313 HG2 LYS 42 2HG LYS 42 5.339 3.795 -5.211
314 HG3 LYS 42 1HG LYS 42 4.487 2.860 -6.439
315 HD2 LYS 42 2HD LYS 42 5.344 4.352 -8.176
316 HD3 LYS 42 1HD LYS 42 6.176 5.310 -6.949
317 HE2 LYS 42 2HE LYS 42 7.501 3.336 -6.329
318 HE3 LYS 42 1HE LYS 42 6.683 2.403 -7.580
319 HZ1 LYS 42 3HZ LYS 42 8.492 4.726 -7.972
320 HZ2 LYS 42 1HZ LYS 42 7.577 4.018 -9.214
321 HZ3 LYS 42 2HZ LYS 42 8.768 3.113 -8.426
322 H ILE 43 H ILE 43 2.500 6.890 -3.857
323 HA ILE 43 HA ILE 43 0.843 8.657 -5.527
324 HB ILE 43 HB ILE 43 0.013 7.081 -3.080
325 HG12 ILE 43 2HG1 ILE 43 -0.786 6.879 -5.993
326 HG13 ILE 43 1HG1 ILE 43 0.159 5.706 -5.086
327 HG21 ILE 43 1HG2 ILE 43 -1.591 9.011 -4.755
328 HG22 ILE 43 2HG2 ILE 43 -1.061 9.267 -3.093
329 HG23 ILE 43 3HG2 ILE 43 -2.231 7.998 -3.461
330 HD11 ILE 43 3HD1 ILE 43 -2.719 6.424 -4.580
331 HD12 ILE 43 1HD1 ILE 43 -1.771 5.250 -3.665
332 HD13 ILE 43 2HD1 ILE 43 -2.126 4.961 -5.368
333 H ARG 44 H ARG 44 0.514 10.700 -4.836
334 HA ARG 44 HA ARG 44 2.460 11.880 -3.201
335 HB2 ARG 44 2HB ARG 44 1.350 13.076 -5.016
336 HB3 ARG 44 1HB ARG 44 -0.185 12.983 -4.162
337 HG2 ARG 44 2HG ARG 44 0.705 15.181 -3.893
338 HG3 ARG 44 1HG ARG 44 0.805 14.345 -2.342
339 HD2 ARG 44 2HD ARG 44 2.845 15.588 -2.762
340 HD3 ARG 44 1HD ARG 44 3.171 13.855 -2.776
341 HE ARG 44 HE ARG 44 2.699 14.510 -5.401
342 HH11 ARG 44 1HH1 ARG 44 4.940 15.628 -2.937
343 HH12 ARG 44 2HH1 ARG 44 6.203 15.973 -4.083
344 HH21 ARG 44 1HH2 ARG 44 4.362 14.952 -6.878
345 HH22 ARG 44 2HH2 ARG 44 5.882 15.573 -6.312
346 H ASP 45 H ASP 45 -1.010 11.319 -2.592
347 HA ASP 45 HA ASP 45 -0.702 12.400 0.094
348 HB2 ASP 45 2HB ASP 45 -3.066 12.415 0.236
349 HB3 ASP 45 1HB ASP 45 -2.678 12.963 -1.390
350 H ASP 46 H ASP 46 -1.261 11.358 1.931
351 HA ASP 46 HA ASP 46 -0.889 8.418 1.886
352 HB2 ASP 46 2HB ASP 46 0.802 9.906 3.053
353 HB3 ASP 46 1HB ASP 46 -0.463 10.369 4.180
354 H THR 47 H THR 47 -3.406 9.989 1.511
355 HA THR 47 HA THR 47 -4.951 8.851 3.755
356 HB THR 47 HB THR 47 -6.785 10.435 2.826
357 HG1 THR 47 1HG THR 47 -5.106 10.950 1.005
358 HG21 THR 47 3HG2 THR 47 -5.966 12.264 4.240
359 HG22 THR 47 1HG2 THR 47 -4.361 11.534 4.254
360 HG23 THR 47 2HG2 THR 47 -5.717 10.695 5.008
361 H VAL 48 H VAL 48 -4.316 8.798 0.429
362 HA VAL 48 HA VAL 48 -6.573 7.073 -0.178
363 HB VAL 48 HB VAL 48 -4.444 8.460 -1.778
364 HG11 VAL 48 1HG1 VAL 48 -4.411 6.163 -2.637
365 HG12 VAL 48 2HG1 VAL 48 -5.147 7.259 -3.807
366 HG13 VAL 48 3HG1 VAL 48 -6.162 6.198 -2.829
367 HG21 VAL 48 3HG2 VAL 48 -6.537 9.612 -1.352
368 HG22 VAL 48 1HG2 VAL 48 -7.447 8.261 -2.028
369 HG23 VAL 48 2HG2 VAL 48 -6.393 9.220 -3.066
370 H ARG 49 H ARG 49 -3.175 6.967 0.521
371 HA ARG 49 HA ARG 49 -2.378 4.539 -0.585
372 HB2 ARG 49 2HB ARG 49 -1.506 5.821 2.001
373 HB3 ARG 49 1HB ARG 49 -0.676 4.496 1.249
374 HG2 ARG 49 2HG ARG 49 -0.209 5.876 -0.693
375 HG3 ARG 49 1HG ARG 49 -1.059 7.202 0.087
376 HD2 ARG 49 2HD ARG 49 0.535 7.117 1.950
377 HD3 ARG 49 1HD ARG 49 1.411 5.836 1.115
378 HE ARG 49 HE ARG 49 1.412 7.812 -0.705
379 HH11 ARG 49 1HH1 ARG 49 2.153 7.808 2.716
380 HH12 ARG 49 2HH1 ARG 49 3.408 9.015 2.567
381 HH21 ARG 49 1HH2 ARG 49 3.037 9.405 -0.895
382 HH22 ARG 49 2HH2 ARG 49 3.902 9.917 0.522
383 H GLU 50 H GLU 50 -3.804 5.129 2.638
384 HA GLU 50 HA GLU 50 -3.626 2.303 3.112
385 HB2 GLU 50 2HB GLU 50 -5.139 3.304 5.126
386 HB3 GLU 50 1HB GLU 50 -3.521 2.882 5.194
387 HG2 GLU 50 2HG GLU 50 -3.984 4.922 6.115
388 HG3 GLU 50 1HG GLU 50 -2.825 5.055 4.912
389 H SER 51 H SER 51 -6.070 4.482 2.059
390 HA SER 51 HA SER 51 -8.221 2.654 2.221
391 HB2 SER 51 2HB SER 51 -7.738 4.739 0.066
392 HB3 SER 51 1HB SER 51 -9.293 4.049 0.536
393 HG SER 51 HG SER 51 -7.651 5.866 1.946
394 H LEU 52 H LEU 52 -5.344 2.430 0.604
395 HA LEU 52 HA LEU 52 -6.102 1.230 -1.767
396 HB2 LEU 52 2HB LEU 52 -3.551 1.461 -0.374
397 HB3 LEU 52 1HB LEU 52 -3.643 0.661 -1.883
398 HG LEU 52 HG LEU 52 -4.164 3.565 -1.307
399 HD11 LEU 52 1HD1 LEU 52 -2.393 2.233 -3.323
400 HD12 LEU 52 2HD1 LEU 52 -1.880 2.967 -1.804
401 HD13 LEU 52 3HD1 LEU 52 -2.573 3.970 -3.079
402 HD21 LEU 52 3HD2 LEU 52 -4.897 2.118 -3.838
403 HD22 LEU 52 1HD2 LEU 52 -4.935 3.864 -3.601
404 HD23 LEU 52 2HD2 LEU 52 -6.016 2.826 -2.674
405 H PHE 53 H PHE 53 -4.955 0.286 0.932
406 HA PHE 53 HA PHE 53 -4.042 -2.238 0.230
407 HB2 PHE 53 2HB PHE 53 -2.859 -1.103 1.637
408 HB3 PHE 53 1HB PHE 53 -4.199 0.083 1.674
409 HD1 PHE 53 1HD PHE 53 -5.670 0.012 3.564
410 HD2 PHE 53 2HD PHE 53 -2.471 -2.721 3.308
411 HE1 PHE 53 1HE PHE 53 -5.994 -0.554 5.955
412 HE2 PHE 53 2HE PHE 53 -2.759 -3.319 5.690
413 HZ PHE 53 HZ PHE 53 -4.529 -2.227 7.016
414 H GLU 54 H GLU 54 -6.657 -0.790 2.010
415 HA GLU 54 HA GLU 54 -8.002 -3.087 2.987
416 HB2 GLU 54 2HB GLU 54 -9.702 -0.872 1.992
417 HB3 GLU 54 1HB GLU 54 -9.723 -1.685 3.545
418 HG2 GLU 54 2HG GLU 54 -7.681 -0.432 4.162
419 HG3 GLU 54 1HG GLU 54 -7.842 0.455 2.642
420 H GLU 55 H GLU 55 -8.176 -1.357 -0.065
421 HA GLU 55 HA GLU 55 -10.261 -2.905 -1.196
422 HB2 GLU 55 2HB GLU 55 -8.109 -1.192 -2.438
423 HB3 GLU 55 1HB GLU 55 -9.379 -1.963 -3.378
424 HG2 GLU 55 2HG GLU 55 -9.913 -0.057 -1.115
425 HG3 GLU 55 1HG GLU 55 -9.767 0.442 -2.800
426 H TRP 56 H TRP 56 -6.733 -3.046 -1.627
427 HA TRP 56 HA TRP 56 -6.770 -5.351 -3.229
428 HB2 TRP 56 2HB TRP 56 -4.917 -4.114 -3.481
429 HB3 TRP 56 1HB TRP 56 -4.704 -3.915 -1.757
430 HD1 TRP 56 HD TRP 56 -3.987 -6.581 -4.269
431 HE1 TRP 56 1HE TRP 56 -2.279 -8.225 -3.315
432 HE3 TRP 56 3HE TRP 56 -3.501 -4.109 -0.631
433 HZ2 TRP 56 2HZ TRP 56 -0.704 -8.136 -1.004
434 HZ3 TRP 56 3HZ TRP 56 -1.801 -4.507 0.538
435 HH2 TRP 56 HH TRP 56 -0.422 -6.468 0.767
436 H CYS 57 H CYS 57 -7.187 -4.859 -0.028
437 HA CYS 57 HA CYS 57 -6.140 -7.159 1.226
438 HB2 CYS 57 2HB CYS 57 -6.879 -5.146 2.458
439 HB3 CYS 57 1HB CYS 57 -8.543 -5.469 1.996
440 HG CYS 57 HG CYS 57 -9.015 -6.651 4.209
441 H GLY 58 H GLY 58 -9.411 -6.320 0.084
442 HA2 GLY 58 2HA GLY 58 -10.038 -9.207 -0.103
443 HA3 GLY 58 1HA GLY 58 -11.241 -7.926 0.050
444 H GLU 59 H GLU 59 -8.384 -8.131 -1.963
445 HA GLU 59 HA GLU 59 -9.956 -7.206 -4.236
446 HB2 GLU 59 2HB GLU 59 -7.794 -6.101 -3.359
447 HB3 GLU 59 1HB GLU 59 -6.968 -7.509 -4.047
448 HG2 GLU 59 2HG GLU 59 -6.830 -5.733 -5.630
449 HG3 GLU 59 1HG GLU 59 -7.898 -6.977 -6.271
Start of MODEL 8
1 H1 ASP 5 H ASP 5 -6.642 7.253 -11.238
2 HA ASP 5 HA ASP 5 -9.258 8.220 -10.318
3 HB2 ASP 5 2HB ASP 5 -8.658 9.137 -12.623
4 HB3 ASP 5 1HB ASP 5 -8.682 7.474 -13.199
5 H ILE 6 H ILE 6 -8.749 6.396 -8.943
6 HA ILE 6 HA ILE 6 -8.350 4.242 -8.353
7 HB ILE 6 HB ILE 6 -10.147 2.651 -8.925
8 HG12 ILE 6 2HG1 ILE 6 -11.388 5.000 -10.384
9 HG13 ILE 6 1HG1 ILE 6 -10.777 3.539 -11.151
10 HG21 ILE 6 1HG2 ILE 6 -10.257 4.031 -6.952
11 HG22 ILE 6 2HG2 ILE 6 -11.872 3.855 -7.640
12 HG23 ILE 6 3HG2 ILE 6 -10.969 5.352 -7.878
13 HD11 ILE 6 3HD1 ILE 6 -13.193 3.487 -10.965
14 HD12 ILE 6 1HD1 ILE 6 -13.076 3.690 -9.216
15 HD13 ILE 6 2HD1 ILE 6 -12.462 2.221 -9.976
16 H ASP 7 H ASP 7 -6.525 3.660 -9.132
17 HA ASP 7 HA ASP 7 -6.209 1.875 -11.106
18 HB2 ASP 7 2HB ASP 7 -5.281 2.887 -13.035
19 HB3 ASP 7 1HB ASP 7 -6.804 3.681 -12.670
20 H GLU 8 H GLU 8 -4.974 4.133 -9.830
21 HA GLU 8 HA GLU 8 -2.210 3.442 -9.530
22 HB2 GLU 8 2HB GLU 8 -1.935 5.381 -8.237
23 HB3 GLU 8 1HB GLU 8 -3.239 5.808 -9.336
24 HG2 GLU 8 2HG GLU 8 -3.726 4.801 -6.548
25 HG3 GLU 8 1HG GLU 8 -3.486 6.504 -6.916
26 H ARG 9 H ARG 9 -5.108 2.750 -7.881
27 HA ARG 9 HA ARG 9 -4.181 2.134 -5.321
28 HB2 ARG 9 2HB ARG 9 -6.317 1.053 -5.032
29 HB3 ARG 9 1HB ARG 9 -6.544 2.454 -6.049
30 HG2 ARG 9 2HG ARG 9 -6.684 1.074 -8.016
31 HG3 ARG 9 1HG ARG 9 -6.358 -0.363 -7.055
32 HD2 ARG 9 2HD ARG 9 -8.431 0.018 -5.793
33 HD3 ARG 9 1HD ARG 9 -8.760 1.444 -6.776
34 HE ARG 9 HE ARG 9 -9.038 -0.006 -8.687
35 HH11 ARG 9 1HH1 ARG 9 -9.016 -1.598 -5.555
36 HH12 ARG 9 2HH1 ARG 9 -9.764 -3.056 -6.146
37 HH21 ARG 9 1HH2 ARG 9 -10.037 -1.915 -9.448
38 HH22 ARG 9 2HH2 ARG 9 -10.343 -3.227 -8.349
39 H ASN 10 H ASN 10 -4.647 0.003 -8.121
40 HA ASN 10 HA ASN 10 -3.874 -2.409 -6.746
41 HB2 ASN 10 2HB ASN 10 -3.973 -1.763 -9.730
42 HB3 ASN 10 1HB ASN 10 -3.704 -3.371 -9.062
43 HD21 ASN 10 1HD2 ASN 10 -6.011 -0.868 -9.667
44 HD22 ASN 10 2HD2 ASN 10 -7.414 -1.765 -9.202
45 H ILE 11 H ILE 11 -2.065 0.204 -7.930
46 HA ILE 11 HA ILE 11 0.374 -1.151 -8.345
47 HB ILE 11 HB ILE 11 -0.328 1.682 -7.657
48 HG12 ILE 11 2HG1 ILE 11 0.952 2.112 -9.761
49 HG13 ILE 11 1HG1 ILE 11 1.201 0.379 -9.921
50 HG21 ILE 11 1HG2 ILE 11 1.621 1.242 -6.282
51 HG22 ILE 11 2HG2 ILE 11 2.048 2.291 -7.634
52 HG23 ILE 11 3HG2 ILE 11 2.478 0.580 -7.675
53 HD11 ILE 11 3HD1 ILE 11 -1.451 1.791 -9.962
54 HD12 ILE 11 1HD1 ILE 11 -1.202 0.050 -10.129
55 HD13 ILE 11 2HD1 ILE 11 -0.585 1.154 -11.358
56 H PHE 12 H PHE 12 -1.211 0.165 -5.410
57 HA PHE 12 HA PHE 12 1.152 -0.299 -3.847
58 HB2 PHE 12 2HB PHE 12 -1.500 0.864 -3.388
59 HB3 PHE 12 1HB PHE 12 -0.787 0.078 -1.981
60 HD1 PHE 12 1HD PHE 12 0.486 2.181 -4.804
61 HD2 PHE 12 2HD PHE 12 0.288 1.597 -0.580
62 HE1 PHE 12 1HE PHE 12 1.915 4.140 -4.455
63 HE2 PHE 12 2HE PHE 12 1.711 3.564 -0.244
64 HZ PHE 12 HZ PHE 12 2.526 4.834 -2.181
65 H PHE 13 H PHE 13 -2.093 -1.869 -3.640
66 HA PHE 13 HA PHE 13 -1.893 -4.399 -2.277
67 HB2 PHE 13 2HB PHE 13 -2.329 -4.414 -4.937
68 HB3 PHE 13 1HB PHE 13 -3.236 -5.012 -3.796
69 HD1 PHE 13 1HD PHE 13 -3.329 -1.854 -2.734
70 HD2 PHE 13 2HD PHE 13 -4.632 -4.231 -6.014
71 HE1 PHE 13 1HE PHE 13 -5.296 -0.397 -3.035
72 HE2 PHE 13 2HE PHE 13 -6.571 -2.772 -6.318
73 HZ PHE 13 HZ PHE 13 -6.909 -0.860 -4.834
74 H GLU 14 H GLU 14 -0.525 -3.528 -5.556
75 HA GLU 14 HA GLU 14 0.686 -6.054 -5.983
76 HB2 GLU 14 2HB GLU 14 0.285 -3.730 -7.481
77 HB3 GLU 14 1HB GLU 14 2.032 -3.871 -7.359
78 HG2 GLU 14 2HG GLU 14 0.286 -6.142 -8.248
79 HG3 GLU 14 1HG GLU 14 0.936 -4.943 -9.363
80 H LEU 15 H LEU 15 2.033 -2.909 -5.023
81 HA LEU 15 HA LEU 15 4.608 -3.785 -4.286
82 HB2 LEU 15 2HB LEU 15 3.171 -1.708 -2.678
83 HB3 LEU 15 1HB LEU 15 4.845 -1.749 -3.167
84 HG LEU 15 HG LEU 15 2.519 -1.169 -4.956
85 HD11 LEU 15 1HD1 LEU 15 3.370 1.123 -4.985
86 HD12 LEU 15 2HD1 LEU 15 4.586 0.677 -3.788
87 HD13 LEU 15 3HD1 LEU 15 2.874 0.617 -3.371
88 HD21 LEU 15 3HD2 LEU 15 4.364 -2.216 -6.164
89 HD22 LEU 15 1HD2 LEU 15 5.489 -1.036 -5.492
90 HD23 LEU 15 2HD2 LEU 15 4.222 -0.513 -6.604
91 H PHE 16 H PHE 16 1.413 -4.044 -2.814
92 HA PHE 16 HA PHE 16 2.394 -4.226 -0.168
93 HB2 PHE 16 2HB PHE 16 -0.069 -4.238 -1.738
94 HB3 PHE 16 1HB PHE 16 -0.164 -4.833 -0.120
95 HD1 PHE 16 2HD PHE 16 2.116 -2.380 0.247
96 HD2 PHE 16 1HD PHE 16 -2.081 -2.766 -0.722
97 HE1 PHE 16 2HE PHE 16 1.660 -0.150 1.174
98 HE2 PHE 16 1HE PHE 16 -2.459 -0.561 0.221
99 HZ PHE 16 HZ PHE 16 -0.633 0.728 1.168
100 H ASP 17 H ASP 17 1.569 -6.313 -2.782
101 HA ASP 17 HA ASP 17 1.686 -8.763 -1.279
102 HB2 ASP 17 2HB ASP 17 0.395 -8.459 -3.429
103 HB3 ASP 17 1HB ASP 17 1.932 -8.392 -4.269
104 H ARG 18 H ARG 18 3.746 -7.045 -3.544
105 HA ARG 18 HA ARG 18 5.969 -8.720 -3.526
106 HB2 ARG 18 2HB ARG 18 5.847 -6.859 -5.059
107 HB3 ARG 18 1HB ARG 18 5.827 -5.709 -3.730
108 HG2 ARG 18 2HG ARG 18 7.998 -5.752 -4.809
109 HG3 ARG 18 1HG ARG 18 8.116 -6.332 -3.146
110 HD2 ARG 18 2HD ARG 18 8.014 -8.661 -4.027
111 HD3 ARG 18 1HD ARG 18 8.083 -8.000 -5.658
112 HE ARG 18 HE ARG 18 10.245 -7.000 -4.144
113 HH11 ARG 18 1HH1 ARG 18 9.116 -9.948 -5.677
114 HH12 ARG 18 2HH1 ARG 18 10.710 -10.612 -5.856
115 HH21 ARG 18 1HH2 ARG 18 12.348 -7.869 -4.410
116 HH22 ARG 18 2HH2 ARG 18 12.551 -9.421 -5.171
117 H TYR 19 H TYR 19 4.839 -6.460 -1.128
118 HA TYR 19 HA TYR 19 7.245 -6.944 0.491
119 HB2 TYR 19 2HB TYR 19 5.086 -4.841 0.666
120 HB3 TYR 19 1HB TYR 19 6.240 -5.114 1.969
121 HD1 TYR 19 2HD TYR 19 7.978 -5.829 -0.945
122 HD2 TYR 19 1HD TYR 19 6.404 -2.515 1.204
123 HE1 TYR 19 2HE TYR 19 9.597 -4.350 -2.050
124 HE2 TYR 19 1HE TYR 19 8.017 -1.030 0.108
125 HH TYR 19 HH TYR 19 10.124 -1.109 -1.005
126 H LYS 20 H LYS 20 4.418 -8.311 -0.073
127 HA LYS 20 HA LYS 20 3.068 -9.798 0.968
128 HB2 LYS 20 2HB LYS 20 5.503 -10.171 2.711
129 HB3 LYS 20 1HB LYS 20 4.178 -11.312 2.540
130 HG2 LYS 20 2HG LYS 20 4.735 -11.648 0.205
131 HG3 LYS 20 1HG LYS 20 6.031 -10.456 0.329
132 HD2 LYS 20 2HD LYS 20 7.114 -11.873 2.043
133 HD3 LYS 20 1HD LYS 20 5.852 -13.082 1.803
134 HE2 LYS 20 2HE LYS 20 7.878 -13.641 0.552
135 HE3 LYS 20 1HE LYS 20 6.516 -13.336 -0.526
136 HZ1 LYS 20 3HZ LYS 20 8.618 -12.299 -1.256
137 HZ2 LYS 20 1HZ LYS 20 8.603 -11.325 0.134
138 HZ3 LYS 20 2HZ LYS 20 7.370 -11.178 -1.028
139 H LEU 21 H LEU 21 2.060 -7.555 1.752
140 HA LEU 21 HA LEU 21 2.342 -7.196 4.602
141 HB2 LEU 21 2HB LEU 21 0.414 -5.912 2.682
142 HB3 LEU 21 1HB LEU 21 0.591 -5.487 4.373
143 HG LEU 21 HG LEU 21 2.547 -5.166 2.217
144 HD11 LEU 21 1HD1 LEU 21 0.892 -3.448 2.228
145 HD12 LEU 21 2HD1 LEU 21 2.437 -2.788 2.767
146 HD13 LEU 21 3HD1 LEU 21 1.181 -3.171 3.944
147 HD21 LEU 21 3HD2 LEU 21 4.103 -4.208 3.838
148 HD22 LEU 21 1HD2 LEU 21 3.781 -5.919 4.122
149 HD23 LEU 21 2HD2 LEU 21 2.993 -4.696 5.120
150 H ASP 22 H ASP 22 1.004 -7.548 6.062
151 HA ASP 22 HA ASP 22 -1.122 -9.477 5.693
152 HB2 ASP 22 2HB ASP 22 -0.504 -7.787 8.129
153 HB3 ASP 22 1HB ASP 22 -1.508 -9.233 8.094
154 H LYS 23 H LYS 23 -2.458 -8.658 4.373
155 HA LYS 23 HA LYS 23 -3.134 -5.909 4.267
156 HB2 LYS 23 2HB LYS 23 -3.500 -8.053 2.594
157 HB3 LYS 23 1HB LYS 23 -5.138 -7.540 3.021
158 HG2 LYS 23 2HG LYS 23 -3.078 -6.161 1.421
159 HG3 LYS 23 1HG LYS 23 -4.856 -5.971 1.443
160 HD2 LYS 23 2HD LYS 23 -4.248 -3.929 2.267
161 HD3 LYS 23 1HD LYS 23 -4.287 -4.821 3.788
162 HE2 LYS 23 2HE LYS 23 -1.720 -5.181 2.582
163 HE3 LYS 23 1HE LYS 23 -2.099 -3.456 2.592
164 HZ1 LYS 23 3HZ LYS 23 -2.471 -3.565 4.968
165 HZ2 LYS 23 1HZ LYS 23 -0.929 -4.162 4.600
166 HZ3 LYS 23 2HZ LYS 23 -2.183 -5.233 4.982
167 H PHE 24 H PHE 24 -4.379 -8.565 6.127
168 HA PHE 24 HA PHE 24 -6.902 -7.178 6.693
169 HB2 PHE 24 2HB PHE 24 -6.009 -9.960 7.477
170 HB3 PHE 24 1HB PHE 24 -7.615 -9.283 7.716
171 HD1 PHE 24 2HD PHE 24 -5.194 -10.405 5.158
172 HD2 PHE 24 1HD PHE 24 -9.225 -9.328 5.994
173 HE1 PHE 24 2HE PHE 24 -5.880 -11.280 2.966
174 HE2 PHE 24 1HE PHE 24 -9.916 -10.205 3.804
175 HZ PHE 24 HZ PHE 24 -8.241 -11.180 2.287
176 H SER 25 H SER 25 -3.819 -7.482 8.027
177 HA SER 25 HA SER 25 -4.666 -7.711 10.780
178 HB2 SER 25 2HB SER 25 -2.631 -8.841 10.089
179 HB3 SER 25 1HB SER 25 -1.922 -7.317 9.569
180 HG SER 25 HG SER 25 -1.476 -8.313 11.806
181 H THR 26 H THR 26 -2.222 -5.423 9.645
182 HA THR 26 HA THR 26 -3.773 -3.167 10.812
183 HB THR 26 HB THR 26 -1.237 -2.293 11.134
184 HG1 THR 26 1HG THR 26 -0.330 -4.292 10.474
185 HG21 THR 26 3HG2 THR 26 -1.439 -2.916 13.507
186 HG22 THR 26 1HG2 THR 26 -2.727 -4.055 13.112
187 HG23 THR 26 2HG2 THR 26 -2.976 -2.324 12.872
188 H TRP 27 H TRP 27 -3.321 -1.248 10.013
189 HA TRP 27 HA TRP 27 -2.592 -1.237 7.223
190 HB2 TRP 27 2HB TRP 27 -4.019 0.538 7.793
191 HB3 TRP 27 1HB TRP 27 -3.127 0.905 9.266
192 HD1 TRP 27 HD TRP 27 -2.115 3.274 8.869
193 HE1 TRP 27 1HE TRP 27 -0.882 4.527 7.115
194 HE3 TRP 27 3HE TRP 27 -2.424 -0.218 5.312
195 HZ2 TRP 27 2HZ TRP 27 -0.265 4.176 4.505
196 HZ3 TRP 27 3HZ TRP 27 -1.583 0.416 3.087
197 HH2 TRP 27 HH TRP 27 -0.667 2.636 2.805
198 H SER 28 H SER 28 -1.070 -0.039 10.223
199 HA SER 28 HA SER 28 1.100 0.707 8.582
200 HB2 SER 28 2HB SER 28 2.226 1.323 10.567
201 HB3 SER 28 1HB SER 28 0.998 2.344 9.928
202 HG SER 28 HG SER 28 1.161 1.448 12.407
203 H LEU 29 H LEU 29 0.807 -1.920 10.922
204 HA LEU 29 HA LEU 29 3.534 -2.369 11.251
205 HB2 LEU 29 2HB LEU 29 1.315 -3.808 11.888
206 HB3 LEU 29 1HB LEU 29 1.913 -4.764 10.550
207 HG LEU 29 HG LEU 29 2.656 -5.637 12.722
208 HD11 LEU 29 1HD1 LEU 29 5.037 -5.838 12.222
209 HD12 LEU 29 2HD1 LEU 29 4.901 -4.523 11.052
210 HD13 LEU 29 3HD1 LEU 29 4.050 -6.042 10.774
211 HD21 LEU 29 3HD2 LEU 29 4.287 -4.390 14.052
212 HD22 LEU 29 1HD2 LEU 29 2.742 -3.546 13.959
213 HD23 LEU 29 2HD2 LEU 29 4.103 -3.004 12.977
214 H GLN 30 H GLN 30 1.445 -2.572 8.610
215 HA GLN 30 HA GLN 30 3.350 -3.760 6.780
216 HB2 GLN 30 2HB GLN 30 0.555 -2.672 6.329
217 HB3 GLN 30 1HB GLN 30 1.542 -3.517 5.111
218 HG2 GLN 30 2HG GLN 30 -0.184 -4.962 6.134
219 HG3 GLN 30 1HG GLN 30 1.435 -5.566 6.373
220 HE21 GLN 30 1HE2 GLN 30 1.058 -6.832 8.115
221 HE22 GLN 30 2HE2 GLN 30 0.551 -6.224 9.650
222 H SER 31 H SER 31 1.731 -0.602 7.280
223 HA SER 31 HA SER 31 3.286 0.667 5.306
224 HB2 SER 31 2HB SER 31 2.190 2.776 5.957
225 HB3 SER 31 1HB SER 31 1.149 1.503 5.343
226 HG SER 31 HG SER 31 0.277 2.416 7.214
227 H LYS 32 H LYS 32 3.553 0.877 8.799
228 HA LYS 32 HA LYS 32 5.631 2.827 8.683
229 HB2 LYS 32 2HB LYS 32 6.205 2.171 10.949
230 HB3 LYS 32 1HB LYS 32 4.458 2.282 10.809
231 HG2 LYS 32 2HG LYS 32 4.333 -0.162 10.619
232 HG3 LYS 32 1HG LYS 32 6.082 -0.259 10.802
233 HD2 LYS 32 2HD LYS 32 4.218 0.966 12.835
234 HD3 LYS 32 1HD LYS 32 4.814 -0.693 12.903
235 HE2 LYS 32 2HE LYS 32 6.615 1.720 12.820
236 HE3 LYS 32 1HE LYS 32 6.073 0.959 14.316
237 HZ1 LYS 32 3HZ LYS 32 7.166 -1.062 13.709
238 HZ2 LYS 32 1HZ LYS 32 8.282 0.206 13.560
239 HZ3 LYS 32 2HZ LYS 32 7.569 -0.460 12.172
240 H LYS 33 H LYS 33 5.265 -0.159 7.530
241 HA LYS 33 HA LYS 33 8.083 -0.995 7.809
242 HB2 LYS 33 2HB LYS 33 6.484 -2.733 8.311
243 HB3 LYS 33 1HB LYS 33 5.637 -2.457 6.796
244 HG2 LYS 33 2HG LYS 33 7.658 -3.218 5.586
245 HG3 LYS 33 1HG LYS 33 8.398 -3.609 7.140
246 HD2 LYS 33 2HD LYS 33 5.789 -4.757 6.154
247 HD3 LYS 33 1HD LYS 33 7.351 -5.557 5.988
248 HE2 LYS 33 2HE LYS 33 6.119 -4.730 8.614
249 HE3 LYS 33 1HE LYS 33 6.011 -6.349 7.926
250 HZ1 LYS 33 3HZ LYS 33 8.437 -6.480 7.990
251 HZ2 LYS 33 1HZ LYS 33 7.783 -6.231 9.532
252 HZ3 LYS 33 2HZ LYS 33 8.510 -4.947 8.707
253 H ILE 34 H ILE 34 5.605 -0.507 5.279
254 HA ILE 34 HA ILE 34 7.591 -0.559 3.183
255 HB ILE 34 HB ILE 34 5.854 -0.281 1.631
256 HG12 ILE 34 2HG1 ILE 34 3.682 0.410 3.604
257 HG13 ILE 34 1HG1 ILE 34 4.816 1.656 3.131
258 HG21 ILE 34 1HG2 ILE 34 4.160 -1.923 2.270
259 HG22 ILE 34 2HG2 ILE 34 4.712 -1.821 3.942
260 HG23 ILE 34 3HG2 ILE 34 5.794 -2.437 2.693
261 HD11 ILE 34 3HD1 ILE 34 4.259 1.262 0.788
262 HD12 ILE 34 1HD1 ILE 34 2.819 1.636 1.736
263 HD13 ILE 34 2HD1 ILE 34 3.158 -0.030 1.269
264 H GLU 35 H GLU 35 6.724 1.639 5.420
265 HA GLU 35 HA GLU 35 6.163 4.045 4.355
266 HB2 GLU 35 2HB GLU 35 6.473 3.505 6.775
267 HB3 GLU 35 1HB GLU 35 8.209 3.683 6.535
268 HG2 GLU 35 2HG GLU 35 7.740 5.988 5.687
269 HG3 GLU 35 1HG GLU 35 6.099 5.759 6.220
270 H ASN 36 H ASN 36 9.453 3.567 5.378
271 HA ASN 36 HA ASN 36 10.544 5.674 3.961
272 HB2 ASN 36 2HB ASN 36 11.543 4.450 5.924
273 HB3 ASN 36 1HB ASN 36 12.070 3.209 4.793
274 HD21 ASN 36 1HD2 ASN 36 12.480 6.489 5.856
275 HD22 ASN 36 2HD2 ASN 36 13.986 6.778 5.047
276 H ASP 37 H ASP 37 9.591 2.676 2.663
277 HA ASP 37 HA ASP 37 11.543 2.408 0.612
278 HB2 ASP 37 2HB ASP 37 8.744 1.309 0.904
279 HB3 ASP 37 1HB ASP 37 9.780 0.935 -0.468
280 HA PRO 38 HA PRO 38 10.113 5.306 -2.402
281 HB2 PRO 38 2HB PRO 38 10.600 3.410 -4.571
282 HB3 PRO 38 1HB PRO 38 11.477 4.886 -4.164
283 HG2 PRO 38 2HG PRO 38 12.543 2.423 -3.837
284 HG3 PRO 38 1HG PRO 38 12.947 3.785 -2.776
285 HD2 PRO 38 2HD PRO 38 11.056 1.511 -2.305
286 HD3 PRO 38 1HD PRO 38 12.217 2.262 -1.188
287 H ASP 39 H ASP 39 8.541 2.338 -1.964
288 HA ASP 39 HA ASP 39 6.707 2.583 -4.179
289 HB2 ASP 39 2HB ASP 39 5.742 0.542 -3.439
290 HB3 ASP 39 1HB ASP 39 7.475 0.376 -3.190
291 H PHE 40 H PHE 40 6.563 2.988 -0.648
292 HA PHE 40 HA PHE 40 3.961 3.787 -0.218
293 HB2 PHE 40 2HB PHE 40 6.284 3.818 1.192
294 HB3 PHE 40 1HB PHE 40 6.051 5.536 0.944
295 HD1 PHE 40 1HD PHE 40 3.177 3.192 1.548
296 HD2 PHE 40 2HD PHE 40 5.877 6.052 3.199
297 HE1 PHE 40 1HE PHE 40 1.913 3.193 3.611
298 HE2 PHE 40 2HE PHE 40 4.574 6.048 5.275
299 HZ PHE 40 HZ PHE 40 2.630 4.572 5.474
300 H TYR 41 H TYR 41 6.585 5.641 -1.663
301 HA TYR 41 HA TYR 41 5.066 8.101 -1.679
302 HB2 TYR 41 2HB TYR 41 7.846 7.377 -2.588
303 HB3 TYR 41 1HB TYR 41 7.148 8.970 -2.862
304 HD1 TYR 41 1HD TYR 41 8.065 6.555 -0.185
305 HD2 TYR 41 2HD TYR 41 7.184 10.594 -1.178
306 HE1 TYR 41 1HE TYR 41 8.798 7.262 2.055
307 HE2 TYR 41 2HE TYR 41 7.913 11.313 1.054
308 HH TYR 41 HH TYR 41 9.591 9.229 3.211
309 H LYS 42 H LYS 42 4.419 5.630 -3.456
310 HA LYS 42 HA LYS 42 4.640 6.758 -6.102
311 HB2 LYS 42 2HB LYS 42 3.375 4.269 -5.003
312 HB3 LYS 42 1HB LYS 42 3.081 4.770 -6.662
313 HG2 LYS 42 2HG LYS 42 5.778 4.201 -5.442
314 HG3 LYS 42 1HG LYS 42 4.885 3.138 -6.534
315 HD2 LYS 42 2HD LYS 42 5.006 4.825 -8.290
316 HD3 LYS 42 1HD LYS 42 5.859 5.919 -7.200
317 HE2 LYS 42 2HE LYS 42 7.699 4.306 -7.041
318 HE3 LYS 42 1HE LYS 42 6.843 3.228 -8.144
319 HZ1 LYS 42 3HZ LYS 42 8.530 4.537 -9.292
320 HZ2 LYS 42 1HZ LYS 42 7.777 5.975 -8.798
321 HZ3 LYS 42 2HZ LYS 42 6.981 4.916 -9.858
322 H ILE 43 H ILE 43 2.223 6.662 -3.576
323 HA ILE 43 HA ILE 43 0.271 7.872 -5.395
324 HB ILE 43 HB ILE 43 -0.101 6.904 -2.552
325 HG12 ILE 43 2HG1 ILE 43 0.144 5.034 -4.013
326 HG13 ILE 43 1HG1 ILE 43 -1.579 5.213 -3.697
327 HG21 ILE 43 1HG2 ILE 43 -2.499 7.264 -2.945
328 HG22 ILE 43 2HG2 ILE 43 -2.124 7.999 -4.504
329 HG23 ILE 43 3HG2 ILE 43 -1.586 8.770 -3.011
330 HD11 ILE 43 3HD1 ILE 43 -0.126 6.117 -6.169
331 HD12 ILE 43 1HD1 ILE 43 -1.851 6.308 -5.861
332 HD13 ILE 43 2HD1 ILE 43 -1.157 4.693 -6.023
333 H ARG 44 H ARG 44 -0.430 9.918 -5.204
334 HA ARG 44 HA ARG 44 1.284 11.836 -4.131
335 HB2 ARG 44 2HB ARG 44 -0.322 13.483 -4.836
336 HB3 ARG 44 1HB ARG 44 -0.250 12.215 -6.045
337 HG2 ARG 44 2HG ARG 44 -2.377 12.327 -3.920
338 HG3 ARG 44 1HG ARG 44 -2.539 13.107 -5.492
339 HD2 ARG 44 2HD ARG 44 -2.426 10.996 -6.623
340 HD3 ARG 44 1HD ARG 44 -1.996 10.162 -5.129
341 HE ARG 44 HE ARG 44 -4.421 11.362 -4.628
342 HH11 ARG 44 1HH1 ARG 44 -3.258 9.010 -6.971
343 HH12 ARG 44 2HH1 ARG 44 -4.786 8.185 -7.091
344 HH21 ARG 44 1HH2 ARG 44 -6.413 10.304 -4.798
345 HH22 ARG 44 2HH2 ARG 44 -6.578 8.932 -5.862
346 H ASP 45 H ASP 45 -1.308 10.124 -2.624
347 HA ASP 45 HA ASP 45 -1.072 11.884 -0.277
348 HB2 ASP 45 2HB ASP 45 -3.590 10.488 -1.214
349 HB3 ASP 45 1HB ASP 45 -3.432 11.421 0.266
350 H ASP 46 H ASP 46 -0.581 10.882 1.584
351 HA ASP 46 HA ASP 46 -0.260 8.049 1.805
352 HB2 ASP 46 2HB ASP 46 1.011 9.610 3.222
353 HB3 ASP 46 1HB ASP 46 -0.482 10.177 3.963
354 H THR 47 H THR 47 -2.829 10.289 2.286
355 HA THR 47 HA THR 47 -4.569 8.724 3.861
356 HB THR 47 HB THR 47 -5.562 10.718 1.852
357 HG1 THR 47 1HG THR 47 -4.558 12.333 2.842
358 HG21 THR 47 3HG2 THR 47 -7.173 9.605 3.335
359 HG22 THR 47 1HG2 THR 47 -7.062 11.329 3.696
360 HG23 THR 47 2HG2 THR 47 -6.261 10.157 4.740
361 H VAL 48 H VAL 48 -3.547 8.322 0.677
362 HA VAL 48 HA VAL 48 -5.941 6.767 -0.020
363 HB VAL 48 HB VAL 48 -3.694 7.678 -1.834
364 HG11 VAL 48 1HG1 VAL 48 -5.166 6.985 -3.664
365 HG12 VAL 48 2HG1 VAL 48 -6.335 6.377 -2.492
366 HG13 VAL 48 3HG1 VAL 48 -4.745 5.626 -2.621
367 HG21 VAL 48 3HG2 VAL 48 -6.498 8.746 -1.526
368 HG22 VAL 48 1HG2 VAL 48 -5.338 9.253 -2.754
369 HG23 VAL 48 2HG2 VAL 48 -5.011 9.565 -1.049
370 H ARG 49 H ARG 49 -2.618 6.589 0.817
371 HA ARG 49 HA ARG 49 -1.836 4.129 -0.308
372 HB2 ARG 49 2HB ARG 49 -1.025 5.467 2.286
373 HB3 ARG 49 1HB ARG 49 -0.211 4.078 1.624
374 HG2 ARG 49 2HG ARG 49 0.448 5.357 -0.321
375 HG3 ARG 49 1HG ARG 49 -0.425 6.739 0.324
376 HD2 ARG 49 2HD ARG 49 1.020 6.575 2.365
377 HD3 ARG 49 1HD ARG 49 1.977 5.383 1.503
378 HE ARG 49 HE ARG 49 2.134 7.385 -0.199
379 HH11 ARG 49 1HH1 ARG 49 2.314 7.487 3.296
380 HH12 ARG 49 2HH1 ARG 49 3.457 8.802 3.326
381 HH21 ARG 49 1HH2 ARG 49 3.636 9.128 -0.170
382 HH22 ARG 49 2HH2 ARG 49 4.209 9.730 1.364
383 H GLU 50 H GLU 50 -3.260 4.830 2.903
384 HA GLU 50 HA GLU 50 -3.397 1.994 3.319
385 HB2 GLU 50 2HB GLU 50 -4.854 3.009 5.304
386 HB3 GLU 50 1HB GLU 50 -3.245 2.550 5.414
387 HG2 GLU 50 2HG GLU 50 -3.652 4.523 6.420
388 HG3 GLU 50 1HG GLU 50 -2.517 4.753 5.219
389 H SER 51 H SER 51 -5.554 4.461 2.246
390 HA SER 51 HA SER 51 -7.873 2.892 2.174
391 HB2 SER 51 2HB SER 51 -6.837 4.866 0.126
392 HB3 SER 51 1HB SER 51 -8.467 4.193 0.124
393 HG SER 51 HG SER 51 -7.755 5.245 2.547
394 H LEU 52 H LEU 52 -4.847 2.282 0.730
395 HA LEU 52 HA LEU 52 -5.809 1.099 -1.601
396 HB2 LEU 52 2HB LEU 52 -3.251 1.650 -0.453
397 HB3 LEU 52 1HB LEU 52 -3.271 0.218 -1.356
398 HG LEU 52 HG LEU 52 -3.157 1.351 -3.328
399 HD11 LEU 52 1HD1 LEU 52 -5.567 1.746 -3.238
400 HD12 LEU 52 2HD1 LEU 52 -4.722 3.130 -3.931
401 HD13 LEU 52 3HD1 LEU 52 -5.300 3.194 -2.266
402 HD21 LEU 52 3HD2 LEU 52 -1.630 2.729 -2.008
403 HD22 LEU 52 1HD2 LEU 52 -2.969 3.782 -1.553
404 HD23 LEU 52 2HD2 LEU 52 -2.457 3.684 -3.239
405 H PHE 53 H PHE 53 -4.182 0.154 0.844
406 HA PHE 53 HA PHE 53 -3.862 -2.399 1.018
407 HB2 PHE 53 2HB PHE 53 -3.154 -0.894 2.501
408 HB3 PHE 53 1HB PHE 53 -4.610 0.108 2.178
409 HD1 PHE 53 1HD PHE 53 -6.592 -0.379 3.562
410 HD2 PHE 53 2HD PHE 53 -2.915 -2.271 4.314
411 HE1 PHE 53 1HE PHE 53 -7.411 -1.003 5.825
412 HE2 PHE 53 2HE PHE 53 -3.679 -2.927 6.581
413 HZ PHE 53 HZ PHE 53 -5.939 -2.287 7.337
414 H GLU 54 H GLU 54 -6.859 -0.612 1.748
415 HA GLU 54 HA GLU 54 -8.429 -2.750 2.682
416 HB2 GLU 54 2HB GLU 54 -9.780 -0.545 1.226
417 HB3 GLU 54 1HB GLU 54 -10.158 -1.257 2.784
418 HG2 GLU 54 2HG GLU 54 -8.179 -0.085 3.723
419 HG3 GLU 54 1HG GLU 54 -8.002 0.727 2.161
420 H GLU 55 H GLU 55 -8.276 -1.190 -0.479
421 HA GLU 55 HA GLU 55 -10.223 -2.763 -1.740
422 HB2 GLU 55 2HB GLU 55 -7.882 -1.185 -2.784
423 HB3 GLU 55 1HB GLU 55 -8.957 -2.062 -3.864
424 HG2 GLU 55 2HG GLU 55 -10.008 -0.079 -1.884
425 HG3 GLU 55 1HG GLU 55 -9.405 0.416 -3.467
426 H TRP 56 H TRP 56 -6.689 -3.101 -1.730
427 HA TRP 56 HA TRP 56 -6.498 -5.406 -3.307
428 HB2 TRP 56 2HB TRP 56 -4.644 -4.003 -2.868
429 HB3 TRP 56 1HB TRP 56 -4.777 -4.348 -1.172
430 HD1 TRP 56 HD TRP 56 -4.022 -6.710 -4.063
431 HE1 TRP 56 1HE TRP 56 -2.223 -8.354 -3.239
432 HE3 TRP 56 3HE TRP 56 -3.449 -4.348 -0.455
433 HZ2 TRP 56 2HZ TRP 56 -0.503 -8.230 -0.914
434 HZ3 TRP 56 3HZ TRP 56 -1.754 -4.645 0.642
435 HH2 TRP 56 HH TRP 56 -0.231 -6.551 0.857
436 H CYS 57 H CYS 57 -7.138 -4.881 -0.059
437 HA CYS 57 HA CYS 57 -6.482 -7.304 1.170
438 HB2 CYS 57 2HB CYS 57 -6.954 -5.189 2.386
439 HB3 CYS 57 1HB CYS 57 -8.654 -5.341 1.966
440 HG CYS 57 HG CYS 57 -7.963 -5.999 4.718
441 H GLY 58 H GLY 58 -9.581 -6.041 -0.056
442 HA2 GLY 58 2HA GLY 58 -10.597 -8.817 -0.206
443 HA3 GLY 58 1HA GLY 58 -11.616 -7.385 -0.078
444 H GLU 59 H GLU 59 -8.779 -7.825 -2.061
445 HA GLU 59 HA GLU 59 -10.226 -6.811 -4.360
446 HB2 GLU 59 2HB GLU 59 -7.707 -6.395 -3.293
447 HB3 GLU 59 1HB GLU 59 -7.381 -7.518 -4.641
448 HG2 GLU 59 2HG GLU 59 -8.124 -4.686 -4.672
449 HG3 GLU 59 1HG GLU 59 -7.202 -5.629 -5.837
Start of MODEL 9
1 H1 ASP 5 H ASP 5 -6.803 6.615 -10.844
2 HA ASP 5 HA ASP 5 -9.685 6.211 -10.875
3 HB2 ASP 5 2HB ASP 5 -8.131 6.978 -13.348
4 HB3 ASP 5 1HB ASP 5 -9.636 6.076 -13.437
5 H ILE 6 H ILE 6 -9.121 4.316 -9.856
6 HA ILE 6 HA ILE 6 -7.879 2.381 -9.448
7 HB ILE 6 HB ILE 6 -8.807 0.552 -10.804
8 HG12 ILE 6 2HG1 ILE 6 -10.459 2.722 -12.119
9 HG13 ILE 6 1HG1 ILE 6 -9.155 1.841 -12.909
10 HG21 ILE 6 1HG2 ILE 6 -10.776 2.502 -9.620
11 HG22 ILE 6 2HG2 ILE 6 -9.860 1.271 -8.750
12 HG23 ILE 6 3HG2 ILE 6 -11.090 0.793 -9.918
13 HD11 ILE 6 3HD1 ILE 6 -11.334 0.975 -13.542
14 HD12 ILE 6 1HD1 ILE 6 -11.701 0.633 -11.849
15 HD13 ILE 6 2HD1 ILE 6 -10.399 -0.235 -12.665
16 H ASP 7 H ASP 7 -5.814 2.639 -9.825
17 HA ASP 7 HA ASP 7 -4.607 1.147 -11.760
18 HB2 ASP 7 2HB ASP 7 -4.995 2.935 -13.296
19 HB3 ASP 7 1HB ASP 7 -4.256 4.029 -12.132
20 H GLU 8 H GLU 8 -4.187 3.608 -10.361
21 HA GLU 8 HA GLU 8 -1.548 3.486 -9.300
22 HB2 GLU 8 2HB GLU 8 -2.036 5.513 -8.090
23 HB3 GLU 8 1HB GLU 8 -2.763 5.624 -9.684
24 HG2 GLU 8 2HG GLU 8 -4.198 4.974 -7.119
25 HG3 GLU 8 1HG GLU 8 -4.243 6.518 -7.972
26 H ARG 9 H ARG 9 -4.708 2.866 -7.876
27 HA ARG 9 HA ARG 9 -3.798 2.348 -5.258
28 HB2 ARG 9 2HB ARG 9 -6.005 1.586 -4.835
29 HB3 ARG 9 1HB ARG 9 -6.162 2.860 -6.011
30 HG2 ARG 9 2HG ARG 9 -6.293 1.060 -7.762
31 HG3 ARG 9 1HG ARG 9 -6.435 -0.095 -6.434
32 HD2 ARG 9 2HD ARG 9 -8.634 0.476 -7.194
33 HD3 ARG 9 1HD ARG 9 -8.382 1.213 -5.607
34 HE ARG 9 HE ARG 9 -7.999 2.709 -8.102
35 HH11 ARG 9 1HH1 ARG 9 -9.432 2.352 -4.915
36 HH12 ARG 9 2HH1 ARG 9 -10.050 3.987 -4.877
37 HH21 ARG 9 1HH2 ARG 9 -8.806 4.881 -8.016
38 HH22 ARG 9 2HH2 ARG 9 -9.723 5.395 -6.638
39 H ASN 10 H ASN 10 -4.459 0.236 -7.992
40 HA ASN 10 HA ASN 10 -3.968 -2.246 -6.655
41 HB2 ASN 10 2HB ASN 10 -3.796 -1.645 -9.642
42 HB3 ASN 10 1HB ASN 10 -4.157 -3.193 -8.877
43 HD21 ASN 10 1HD2 ASN 10 -5.385 -0.000 -9.605
44 HD22 ASN 10 2HD2 ASN 10 -7.050 -0.325 -9.249
45 H ILE 11 H ILE 11 -1.981 0.191 -8.034
46 HA ILE 11 HA ILE 11 0.391 -1.255 -8.313
47 HB ILE 11 HB ILE 11 -0.036 1.612 -7.460
48 HG12 ILE 11 2HG1 ILE 11 -0.857 1.149 -9.698
49 HG13 ILE 11 1HG1 ILE 11 0.616 2.106 -9.799
50 HG21 ILE 11 1HG2 ILE 11 2.516 0.258 -8.313
51 HG22 ILE 11 2HG2 ILE 11 2.142 0.859 -6.697
52 HG23 ILE 11 3HG2 ILE 11 2.311 1.988 -8.043
53 HD11 ILE 11 3HD1 ILE 11 0.378 -0.859 -10.262
54 HD12 ILE 11 1HD1 ILE 11 1.879 0.065 -10.314
55 HD13 ILE 11 2HD1 ILE 11 0.606 0.386 -11.492
56 H PHE 12 H PHE 12 -1.155 0.199 -5.404
57 HA PHE 12 HA PHE 12 1.187 -0.304 -3.842
58 HB2 PHE 12 2HB PHE 12 -1.544 0.709 -3.230
59 HB3 PHE 12 1HB PHE 12 -0.546 0.122 -1.900
60 HD1 PHE 12 1HD PHE 12 0.174 2.095 -4.996
61 HD2 PHE 12 2HD PHE 12 0.349 1.963 -0.726
62 HE1 PHE 12 1HE PHE 12 1.341 4.252 -4.967
63 HE2 PHE 12 2HE PHE 12 1.523 4.109 -0.713
64 HZ PHE 12 HZ PHE 12 2.016 5.262 -2.831
65 H PHE 13 H PHE 13 -2.062 -1.890 -3.684
66 HA PHE 13 HA PHE 13 -1.899 -4.452 -2.371
67 HB2 PHE 13 2HB PHE 13 -2.219 -4.308 -5.054
68 HB3 PHE 13 1HB PHE 13 -3.128 -5.101 -4.021
69 HD1 PHE 13 2HD PHE 13 -3.284 -1.883 -2.845
70 HD2 PHE 13 1HD PHE 13 -4.659 -4.328 -6.050
71 HE1 PHE 13 2HE PHE 13 -5.275 -0.455 -3.105
72 HE2 PHE 13 1HE PHE 13 -6.653 -2.926 -6.276
73 HZ PHE 13 HZ PHE 13 -6.966 -0.999 -4.813
74 H GLU 14 H GLU 14 -0.464 -3.511 -5.609
75 HA GLU 14 HA GLU 14 0.772 -5.998 -6.182
76 HB2 GLU 14 2HB GLU 14 0.411 -4.348 -7.903
77 HB3 GLU 14 1HB GLU 14 1.348 -3.166 -7.056
78 HG2 GLU 14 2HG GLU 14 2.568 -3.991 -8.962
79 HG3 GLU 14 1HG GLU 14 3.378 -4.432 -7.464
80 H LEU 15 H LEU 15 2.080 -2.957 -5.113
81 HA LEU 15 HA LEU 15 4.626 -3.836 -4.282
82 HB2 LEU 15 2HB LEU 15 3.153 -1.756 -2.712
83 HB3 LEU 15 1HB LEU 15 4.847 -1.816 -3.139
84 HG LEU 15 HG LEU 15 2.629 -1.258 -5.072
85 HD11 LEU 15 1HD1 LEU 15 3.380 1.069 -4.988
86 HD12 LEU 15 2HD1 LEU 15 4.489 0.649 -3.683
87 HD13 LEU 15 3HD1 LEU 15 2.750 0.510 -3.439
88 HD21 LEU 15 3HD2 LEU 15 4.437 -0.514 -6.553
89 HD22 LEU 15 1HD2 LEU 15 4.625 -2.212 -6.109
90 HD23 LEU 15 2HD2 LEU 15 5.623 -0.982 -5.335
91 H PHE 16 H PHE 16 1.406 -4.105 -2.872
92 HA PHE 16 HA PHE 16 2.379 -4.351 -0.208
93 HB2 PHE 16 2HB PHE 16 -0.090 -4.305 -1.793
94 HB3 PHE 16 1HB PHE 16 -0.194 -4.866 -0.179
95 HD1 PHE 16 2HD PHE 16 2.052 -2.292 0.108
96 HD2 PHE 16 1HD PHE 16 -2.139 -2.918 -0.803
97 HE1 PHE 16 2HE PHE 16 1.504 -0.006 0.848
98 HE2 PHE 16 1HE PHE 16 -2.599 -0.657 -0.061
99 HZ PHE 16 HZ PHE 16 -0.832 0.794 0.749
100 H ASP 17 H ASP 17 1.490 -6.300 -2.925
101 HA ASP 17 HA ASP 17 1.627 -8.824 -1.561
102 HB2 ASP 17 2HB ASP 17 0.326 -8.484 -3.670
103 HB3 ASP 17 1HB ASP 17 1.835 -8.195 -4.513
104 H ARG 18 H ARG 18 3.617 -6.951 -3.691
105 HA ARG 18 HA ARG 18 5.842 -8.502 -4.032
106 HB2 ARG 18 2HB ARG 18 5.393 -6.280 -5.046
107 HB3 ARG 18 1HB ARG 18 5.801 -5.532 -3.517
108 HG2 ARG 18 2HG ARG 18 8.059 -6.155 -3.691
109 HG3 ARG 18 1HG ARG 18 7.727 -7.270 -5.021
110 HD2 ARG 18 2HD ARG 18 7.469 -4.270 -5.081
111 HD3 ARG 18 1HD ARG 18 8.716 -5.232 -5.872
112 HE ARG 18 HE ARG 18 5.918 -5.714 -6.582
113 HH11 ARG 18 1HH1 ARG 18 9.026 -4.379 -7.428
114 HH12 ARG 18 2HH1 ARG 18 8.693 -4.331 -9.131
115 HH21 ARG 18 1HH2 ARG 18 5.446 -5.671 -8.796
116 HH22 ARG 18 2HH2 ARG 18 6.633 -5.088 -9.921
117 H TYR 19 H TYR 19 4.887 -6.695 -1.187
118 HA TYR 19 HA TYR 19 7.432 -7.482 0.076
119 HB2 TYR 19 2HB TYR 19 5.695 -5.080 0.706
120 HB3 TYR 19 1HB TYR 19 7.174 -5.517 1.554
121 HD1 TYR 19 1HD TYR 19 9.156 -6.056 -0.346
122 HD2 TYR 19 2HD TYR 19 5.986 -3.246 -0.706
123 HE1 TYR 19 1HE TYR 19 10.477 -4.778 -1.980
124 HE2 TYR 19 2HE TYR 19 7.288 -1.970 -2.337
125 HH TYR 19 HH TYR 19 9.388 -1.643 -3.186
126 H LYS 20 H LYS 20 4.458 -8.466 -0.209
127 HA LYS 20 HA LYS 20 2.999 -9.743 0.972
128 HB2 LYS 20 2HB LYS 20 5.551 -10.323 2.421
129 HB3 LYS 20 1HB LYS 20 4.081 -11.241 2.665
130 HG2 LYS 20 2HG LYS 20 5.244 -10.941 -0.075
131 HG3 LYS 20 1HG LYS 20 5.868 -12.157 1.044
132 HD2 LYS 20 2HD LYS 20 3.778 -13.253 1.172
133 HD3 LYS 20 1HD LYS 20 2.940 -11.902 0.405
134 HE2 LYS 20 2HE LYS 20 5.045 -13.555 -0.973
135 HE3 LYS 20 1HE LYS 20 3.321 -13.918 -1.053
136 HZ1 LYS 20 3HZ LYS 20 4.065 -12.625 -2.961
137 HZ2 LYS 20 1HZ LYS 20 4.580 -11.377 -1.934
138 HZ3 LYS 20 2HZ LYS 20 2.937 -11.760 -2.037
139 H LEU 21 H LEU 21 1.980 -7.736 1.745
140 HA LEU 21 HA LEU 21 2.659 -6.865 4.413
141 HB2 LEU 21 2HB LEU 21 0.446 -6.197 2.504
142 HB3 LEU 21 1HB LEU 21 0.572 -5.498 4.100
143 HG LEU 21 HG LEU 21 1.341 -4.182 2.098
144 HD11 LEU 21 1HD1 LEU 21 1.742 -3.454 4.351
145 HD12 LEU 21 2HD1 LEU 21 3.157 -3.114 3.355
146 HD13 LEU 21 3HD1 LEU 21 3.161 -4.490 4.461
147 HD21 LEU 21 3HD2 LEU 21 2.795 -5.752 0.995
148 HD22 LEU 21 1HD2 LEU 21 3.791 -5.895 2.445
149 HD23 LEU 21 2HD2 LEU 21 3.745 -4.375 1.550
150 H ASP 22 H ASP 22 1.069 -6.748 6.080
151 HA ASP 22 HA ASP 22 -0.982 -8.846 5.954
152 HB2 ASP 22 2HB ASP 22 0.148 -7.222 8.209
153 HB3 ASP 22 1HB ASP 22 -1.408 -8.018 8.381
154 H LYS 23 H LYS 23 -2.454 -8.145 4.753
155 HA LYS 23 HA LYS 23 -2.959 -5.382 4.335
156 HB2 LYS 23 2HB LYS 23 -3.558 -7.730 2.992
157 HB3 LYS 23 1HB LYS 23 -5.116 -7.004 3.390
158 HG2 LYS 23 2HG LYS 23 -3.022 -6.071 1.522
159 HG3 LYS 23 1HG LYS 23 -4.777 -5.764 1.550
160 HD2 LYS 23 2HD LYS 23 -3.986 -3.673 1.983
161 HD3 LYS 23 1HD LYS 23 -4.096 -4.285 3.636
162 HE2 LYS 23 2HE LYS 23 -1.562 -5.027 2.509
163 HE3 LYS 23 1HE LYS 23 -1.816 -3.290 2.292
164 HZ1 LYS 23 3HZ LYS 23 -0.735 -3.690 4.378
165 HZ2 LYS 23 1HZ LYS 23 -1.935 -4.781 4.861
166 HZ3 LYS 23 2HZ LYS 23 -2.303 -3.142 4.684
167 H PHE 24 H PHE 24 -4.283 -7.768 6.468
168 HA PHE 24 HA PHE 24 -6.696 -6.271 7.059
169 HB2 PHE 24 2HB PHE 24 -5.564 -8.786 8.299
170 HB3 PHE 24 1HB PHE 24 -7.138 -8.098 8.671
171 HD1 PHE 24 1HD PHE 24 -5.135 -9.800 6.098
172 HD2 PHE 24 2HD PHE 24 -8.998 -8.392 7.207
173 HE1 PHE 24 1HE PHE 24 -6.132 -11.110 4.270
174 HE2 PHE 24 2HE PHE 24 -10.000 -9.700 5.379
175 HZ PHE 24 HZ PHE 24 -8.568 -11.063 3.910
176 H SER 25 H SER 25 -3.714 -7.171 8.744
177 HA SER 25 HA SER 25 -4.329 -6.640 11.332
178 HB2 SER 25 2HB SER 25 -2.245 -7.681 10.519
179 HB3 SER 25 1HB SER 25 -1.657 -6.093 10.039
180 HG SER 25 HG SER 25 -1.289 -7.198 12.324
181 H THR 26 H THR 26 -2.191 -4.270 9.727
182 HA THR 26 HA THR 26 -3.837 -2.059 10.759
183 HB THR 26 HB THR 26 -1.368 -1.063 11.315
184 HG1 THR 26 1HG THR 26 -1.053 -3.376 12.764
185 HG21 THR 26 3HG2 THR 26 -1.952 -1.378 13.690
186 HG22 THR 26 1HG2 THR 26 -3.176 -2.565 13.244
187 HG23 THR 26 2HG2 THR 26 -3.353 -0.883 12.742
188 H TRP 27 H TRP 27 -3.435 -0.188 9.901
189 HA TRP 27 HA TRP 27 -2.665 -0.297 7.154
190 HB2 TRP 27 2HB TRP 27 -4.197 1.428 7.644
191 HB3 TRP 27 1HB TRP 27 -3.276 1.959 9.053
192 HD1 TRP 27 HD TRP 27 -2.293 4.300 8.450
193 HE1 TRP 27 1HE TRP 27 -1.154 5.429 6.545
194 HE3 TRP 27 3HE TRP 27 -2.776 0.570 5.160
195 HZ2 TRP 27 2HZ TRP 27 -0.632 4.882 3.952
196 HZ3 TRP 27 3HZ TRP 27 -2.020 1.042 2.868
197 HH2 TRP 27 HH TRP 27 -1.118 3.232 2.397
198 H SER 28 H SER 28 -1.205 1.171 10.061
199 HA SER 28 HA SER 28 0.943 1.877 8.397
200 HB2 SER 28 2HB SER 28 2.035 2.535 10.396
201 HB3 SER 28 1HB SER 28 0.883 3.544 9.637
202 HG SER 28 HG SER 28 0.477 1.895 11.942
203 H LEU 29 H LEU 29 0.581 -0.728 10.687
204 HA LEU 29 HA LEU 29 3.224 -1.403 11.040
205 HB2 LEU 29 2HB LEU 29 0.956 -2.768 11.445
206 HB3 LEU 29 1HB LEU 29 1.421 -3.525 9.937
207 HG LEU 29 HG LEU 29 2.130 -4.860 11.851
208 HD11 LEU 29 1HD1 LEU 29 4.513 -5.098 11.318
209 HD12 LEU 29 2HD1 LEU 29 4.443 -3.594 10.398
210 HD13 LEU 29 3HD1 LEU 29 3.506 -4.992 9.873
211 HD21 LEU 29 3HD2 LEU 29 2.362 -3.094 13.495
212 HD22 LEU 29 1HD2 LEU 29 3.760 -2.446 12.629
213 HD23 LEU 29 2HD2 LEU 29 3.846 -4.036 13.385
214 H GLN 30 H GLN 30 1.220 -1.295 8.307
215 HA GLN 30 HA GLN 30 3.196 -2.359 6.453
216 HB2 GLN 30 2HB GLN 30 0.522 -1.139 5.794
217 HB3 GLN 30 1HB GLN 30 1.528 -2.130 4.749
218 HG2 GLN 30 2HG GLN 30 -0.325 -2.921 6.868
219 HG3 GLN 30 1HG GLN 30 0.038 -3.710 5.387
220 HE21 GLN 30 1HE2 GLN 30 -0.209 -4.671 8.169
221 HE22 GLN 30 2HE2 GLN 30 1.252 -5.551 8.489
222 H SER 31 H SER 31 1.485 0.694 6.979
223 HA SER 31 HA SER 31 3.006 2.042 5.098
224 HB2 SER 31 2HB SER 31 2.010 4.154 6.060
225 HB3 SER 31 1HB SER 31 0.981 3.006 5.212
226 HG SER 31 HG SER 31 -0.023 3.553 7.088
227 H LYS 32 H LYS 32 3.366 2.202 8.608
228 HA LYS 32 HA LYS 32 5.328 4.242 8.463
229 HB2 LYS 32 2HB LYS 32 5.919 3.717 10.742
230 HB3 LYS 32 1HB LYS 32 4.175 3.668 10.584
231 HG2 LYS 32 2HG LYS 32 4.722 1.869 11.970
232 HG3 LYS 32 1HG LYS 32 4.409 1.145 10.395
233 HD2 LYS 32 2HD LYS 32 6.777 0.947 9.969
234 HD3 LYS 32 1HD LYS 32 7.151 1.803 11.466
235 HE2 LYS 32 2HE LYS 32 5.631 -0.790 11.362
236 HE3 LYS 32 1HE LYS 32 7.381 -0.695 11.563
237 HZ1 LYS 32 3HZ LYS 32 5.320 0.411 13.400
238 HZ2 LYS 32 1HZ LYS 32 6.989 0.662 13.563
239 HZ3 LYS 32 2HZ LYS 32 6.350 -0.903 13.695
240 H LYS 33 H LYS 33 5.282 1.159 7.344
241 HA LYS 33 HA LYS 33 8.243 0.983 7.513
242 HB2 LYS 33 2HB LYS 33 8.210 -1.365 7.236
243 HB3 LYS 33 1HB LYS 33 6.990 -0.996 8.444
244 HG2 LYS 33 2HG LYS 33 5.232 -1.317 6.842
245 HG3 LYS 33 1HG LYS 33 6.403 -1.515 5.542
246 HD2 LYS 33 2HD LYS 33 6.364 -3.333 7.933
247 HD3 LYS 33 1HD LYS 33 5.346 -3.626 6.524
248 HE2 LYS 33 2HE LYS 33 7.389 -3.606 5.115
249 HE3 LYS 33 1HE LYS 33 8.353 -3.465 6.584
250 HZ1 LYS 33 3HZ LYS 33 8.104 -5.770 5.705
251 HZ2 LYS 33 1HZ LYS 33 6.455 -5.689 6.091
252 HZ3 LYS 33 2HZ LYS 33 7.617 -5.578 7.321
253 H ILE 34 H ILE 34 5.519 0.693 5.209
254 HA ILE 34 HA ILE 34 7.343 0.295 3.044
255 HB ILE 34 HB ILE 34 5.557 0.321 1.513
256 HG12 ILE 34 2HG1 ILE 34 3.356 1.053 3.442
257 HG13 ILE 34 1HG1 ILE 34 4.383 2.334 2.805
258 HG21 ILE 34 1HG2 ILE 34 5.731 -1.686 2.792
259 HG22 ILE 34 2HG2 ILE 34 4.038 -1.364 2.419
260 HG23 ILE 34 3HG2 ILE 34 4.663 -1.034 4.035
261 HD11 ILE 34 3HD1 ILE 34 2.402 1.977 1.446
262 HD12 ILE 34 1HD1 ILE 34 2.863 0.295 1.195
263 HD13 ILE 34 2HD1 ILE 34 3.861 1.591 0.532
264 H GLU 35 H GLU 35 6.262 3.064 4.704
265 HA GLU 35 HA GLU 35 6.580 5.012 2.710
266 HB2 GLU 35 2HB GLU 35 7.253 6.555 4.597
267 HB3 GLU 35 1HB GLU 35 5.694 5.764 4.758
268 HG2 GLU 35 2HG GLU 35 6.463 4.310 6.391
269 HG3 GLU 35 1HG GLU 35 8.163 4.660 6.040
270 H ASN 36 H ASN 36 8.958 3.136 4.402
271 HA ASN 36 HA ASN 36 11.120 4.858 3.553
272 HB2 ASN 36 2HB ASN 36 11.061 2.178 4.941
273 HB3 ASN 36 1HB ASN 36 12.567 2.920 4.408
274 HD21 ASN 36 1HD2 ASN 36 9.973 3.023 6.683
275 HD22 ASN 36 2HD2 ASN 36 10.642 4.245 7.711
276 H ASP 37 H ASP 37 9.182 2.721 2.040
277 HA ASP 37 HA ASP 37 11.190 2.058 0.009
278 HB2 ASP 37 2HB ASP 37 8.320 1.138 0.380
279 HB3 ASP 37 1HB ASP 37 9.320 0.676 -0.996
280 HA PRO 38 HA PRO 38 9.784 5.489 -2.441
281 HB2 PRO 38 2HB PRO 38 10.402 4.550 -4.929
282 HB3 PRO 38 1HB PRO 38 11.608 5.182 -3.801
283 HG2 PRO 38 2HG PRO 38 10.873 2.340 -4.393
284 HG3 PRO 38 1HG PRO 38 12.478 3.059 -4.170
285 HD2 PRO 38 2HD PRO 38 11.244 1.662 -2.215
286 HD3 PRO 38 1HD PRO 38 12.307 3.041 -1.868
287 H ASP 39 H ASP 39 8.440 2.485 -2.341
288 HA ASP 39 HA ASP 39 6.540 2.692 -4.487
289 HB2 ASP 39 2HB ASP 39 6.742 0.768 -2.158
290 HB3 ASP 39 1HB ASP 39 5.689 0.575 -3.558
291 H PHE 40 H PHE 40 6.551 3.356 -1.004
292 HA PHE 40 HA PHE 40 3.769 3.920 -0.760
293 HB2 PHE 40 2HB PHE 40 5.775 3.862 0.990
294 HB3 PHE 40 1HB PHE 40 5.801 5.583 0.660
295 HD1 PHE 40 1HD PHE 40 2.634 3.606 0.828
296 HD2 PHE 40 2HD PHE 40 5.286 6.252 2.839
297 HE1 PHE 40 1HE PHE 40 1.032 3.834 2.630
298 HE2 PHE 40 2HE PHE 40 3.655 6.484 4.651
299 HZ PHE 40 HZ PHE 40 1.564 5.223 4.548
300 H TYR 41 H TYR 41 6.519 5.664 -1.958
301 HA TYR 41 HA TYR 41 5.101 8.160 -2.247
302 HB2 TYR 41 2HB TYR 41 7.903 7.303 -2.986
303 HB3 TYR 41 1HB TYR 41 7.275 8.926 -3.257
304 HD1 TYR 41 1HD TYR 41 6.447 10.226 -1.225
305 HD2 TYR 41 2HD TYR 41 8.853 6.725 -0.887
306 HE1 TYR 41 1HE TYR 41 7.081 10.882 1.056
307 HE2 TYR 41 2HE TYR 41 9.488 7.378 1.389
308 HH TYR 41 HH TYR 41 9.642 9.529 2.727
309 H LYS 42 H LYS 42 4.802 5.426 -3.851
310 HA LYS 42 HA LYS 42 4.994 6.093 -6.583
311 HB2 LYS 42 2HB LYS 42 3.805 3.996 -4.962
312 HB3 LYS 42 1HB LYS 42 2.756 4.433 -6.299
313 HG2 LYS 42 2HG LYS 42 4.224 2.560 -6.820
314 HG3 LYS 42 1HG LYS 42 4.494 3.933 -7.891
315 HD2 LYS 42 2HD LYS 42 6.490 4.520 -6.604
316 HD3 LYS 42 1HD LYS 42 6.188 3.161 -5.516
317 HE2 LYS 42 2HE LYS 42 6.242 1.700 -7.615
318 HE3 LYS 42 1HE LYS 42 6.941 3.101 -8.423
319 HZ1 LYS 42 3HZ LYS 42 8.675 1.659 -7.672
320 HZ2 LYS 42 1HZ LYS 42 8.067 1.649 -6.087
321 HZ3 LYS 42 2HZ LYS 42 8.725 3.075 -6.744
322 H ILE 43 H ILE 43 2.606 6.727 -4.118
323 HA ILE 43 HA ILE 43 1.118 8.428 -6.009
324 HB ILE 43 HB ILE 43 0.077 7.016 -3.536
325 HG12 ILE 43 2HG1 ILE 43 -0.654 6.739 -6.461
326 HG13 ILE 43 1HG1 ILE 43 0.278 5.581 -5.519
327 HG21 ILE 43 1HG2 ILE 43 -1.349 8.940 -5.372
328 HG22 ILE 43 2HG2 ILE 43 -0.898 9.243 -3.693
329 HG23 ILE 43 3HG2 ILE 43 -2.100 8.009 -4.076
330 HD11 ILE 43 3HD1 ILE 43 -2.597 6.338 -5.038
331 HD12 ILE 43 1HD1 ILE 43 -1.662 5.178 -4.092
332 HD13 ILE 43 2HD1 ILE 43 -2.019 4.851 -5.788
333 H ARG 44 H ARG 44 0.783 10.537 -5.434
334 HA ARG 44 HA ARG 44 2.645 11.662 -3.615
335 HB2 ARG 44 2HB ARG 44 0.314 12.912 -5.076
336 HB3 ARG 44 1HB ARG 44 1.531 13.817 -4.185
337 HG2 ARG 44 2HG ARG 44 2.016 12.086 -6.602
338 HG3 ARG 44 1HG ARG 44 2.008 13.851 -6.555
339 HD2 ARG 44 2HD ARG 44 3.925 12.043 -5.083
340 HD3 ARG 44 1HD ARG 44 4.290 12.978 -6.534
341 HE ARG 44 HE ARG 44 3.696 14.981 -5.070
342 HH11 ARG 44 1HH1 ARG 44 5.239 12.057 -3.903
343 HH12 ARG 44 2HH1 ARG 44 5.916 12.821 -2.493
344 HH21 ARG 44 1HH2 ARG 44 4.625 16.000 -3.236
345 HH22 ARG 44 2HH2 ARG 44 5.578 15.066 -2.124
346 H ASP 45 H ASP 45 -0.829 11.057 -3.405
347 HA ASP 45 HA ASP 45 -0.918 12.409 -0.820
348 HB2 ASP 45 2HB ASP 45 -3.025 11.440 -2.711
349 HB3 ASP 45 1HB ASP 45 -3.430 11.725 -1.022
350 H ASP 46 H ASP 46 -0.806 11.436 1.024
351 HA ASP 46 HA ASP 46 -0.620 8.558 1.216
352 HB2 ASP 46 2HB ASP 46 0.757 10.111 2.590
353 HB3 ASP 46 1HB ASP 46 -0.707 10.663 3.394
354 H THR 47 H THR 47 -3.034 10.986 1.682
355 HA THR 47 HA THR 47 -4.801 9.630 3.391
356 HB THR 47 HB THR 47 -5.653 11.557 1.234
357 HG1 THR 47 1HG THR 47 -4.581 13.112 2.215
358 HG21 THR 47 3HG2 THR 47 -7.263 12.288 2.930
359 HG22 THR 47 1HG2 THR 47 -6.614 11.101 4.063
360 HG23 THR 47 2HG2 THR 47 -7.431 10.565 2.594
361 H VAL 48 H VAL 48 -3.923 8.939 0.209
362 HA VAL 48 HA VAL 48 -6.393 7.425 -0.280
363 HB VAL 48 HB VAL 48 -4.171 8.045 -2.237
364 HG11 VAL 48 1HG1 VAL 48 -5.442 6.051 -2.824
365 HG12 VAL 48 2HG1 VAL 48 -5.792 7.365 -3.946
366 HG13 VAL 48 3HG1 VAL 48 -6.950 6.954 -2.683
367 HG21 VAL 48 3HG2 VAL 48 -6.843 9.402 -1.891
368 HG22 VAL 48 1HG2 VAL 48 -5.697 9.705 -3.197
369 HG23 VAL 48 2HG2 VAL 48 -5.262 10.098 -1.532
370 H ARG 49 H ARG 49 -3.039 7.146 0.441
371 HA ARG 49 HA ARG 49 -2.394 4.657 -0.687
372 HB2 ARG 49 2HB ARG 49 -1.337 5.963 1.815
373 HB3 ARG 49 1HB ARG 49 -0.607 4.584 1.073
374 HG2 ARG 49 2HG ARG 49 -0.129 5.860 -0.920
375 HG3 ARG 49 1HG ARG 49 -0.967 7.240 -0.229
376 HD2 ARG 49 2HD ARG 49 0.683 7.221 1.647
377 HD3 ARG 49 1HD ARG 49 1.566 5.971 0.773
378 HE ARG 49 HE ARG 49 1.480 7.850 -1.076
379 HH11 ARG 49 1HH1 ARG 49 2.122 8.168 2.353
380 HH12 ARG 49 2HH1 ARG 49 3.222 9.494 2.141
381 HH21 ARG 49 1HH2 ARG 49 2.890 9.599 -1.352
382 HH22 ARG 49 2HH2 ARG 49 3.650 10.332 0.036
383 H GLU 50 H GLU 50 -3.765 5.432 2.505
384 HA GLU 50 HA GLU 50 -3.725 2.631 3.100
385 HB2 GLU 50 2HB GLU 50 -5.197 3.726 5.042
386 HB3 GLU 50 1HB GLU 50 -3.569 3.328 5.119
387 HG2 GLU 50 2HG GLU 50 -4.014 5.361 5.960
388 HG3 GLU 50 1HG GLU 50 -2.908 5.517 4.730
389 H SER 51 H SER 51 -6.092 4.807 1.879
390 HA SER 51 HA SER 51 -8.239 2.967 2.044
391 HB2 SER 51 2HB SER 51 -7.627 4.979 -0.139
392 HB3 SER 51 1HB SER 51 -9.161 4.124 0.034
393 HG SER 51 HG SER 51 -9.529 5.167 1.959
394 H LEU 52 H LEU 52 -5.305 2.560 0.595
395 HA LEU 52 HA LEU 52 -5.993 1.265 -1.749
396 HB2 LEU 52 2HB LEU 52 -3.489 1.413 -0.247
397 HB3 LEU 52 1HB LEU 52 -3.562 0.692 -1.786
398 HG LEU 52 HG LEU 52 -4.014 3.575 -1.101
399 HD11 LEU 52 1HD1 LEU 52 -1.769 2.995 -1.690
400 HD12 LEU 52 2HD1 LEU 52 -2.495 4.015 -2.934
401 HD13 LEU 52 3HD1 LEU 52 -2.326 2.279 -3.200
402 HD21 LEU 52 3HD2 LEU 52 -4.869 2.273 -3.672
403 HD22 LEU 52 1HD2 LEU 52 -4.842 4.006 -3.352
404 HD23 LEU 52 2HD2 LEU 52 -5.928 2.959 -2.438
405 H PHE 53 H PHE 53 -4.964 0.394 1.021
406 HA PHE 53 HA PHE 53 -4.172 -2.196 0.501
407 HB2 PHE 53 2HB PHE 53 -3.077 -1.153 2.078
408 HB3 PHE 53 1HB PHE 53 -4.241 0.179 1.777
409 HD1 PHE 53 2HD PHE 53 -6.217 0.205 3.248
410 HD2 PHE 53 1HD PHE 53 -2.895 -2.218 4.136
411 HE1 PHE 53 2HE PHE 53 -6.978 0.058 5.612
412 HE2 PHE 53 1HE PHE 53 -3.597 -2.387 6.495
413 HZ PHE 53 HZ PHE 53 -5.658 -1.244 7.237
414 H GLU 54 H GLU 54 -6.877 -0.577 1.943
415 HA GLU 54 HA GLU 54 -8.365 -2.704 2.998
416 HB2 GLU 54 2HB GLU 54 -9.938 -0.678 1.518
417 HB3 GLU 54 1HB GLU 54 -10.125 -1.261 3.164
418 HG2 GLU 54 2HG GLU 54 -8.181 0.109 3.822
419 HG3 GLU 54 1HG GLU 54 -8.127 0.742 2.175
420 H GLU 55 H GLU 55 -8.332 -1.388 -0.301
421 HA GLU 55 HA GLU 55 -10.352 -3.141 -1.257
422 HB2 GLU 55 2HB GLU 55 -8.267 -1.615 -2.827
423 HB3 GLU 55 1HB GLU 55 -9.696 -2.384 -3.509
424 HG2 GLU 55 2HG GLU 55 -11.064 -0.884 -2.017
425 HG3 GLU 55 1HG GLU 55 -9.569 -0.019 -1.663
426 H TRP 56 H TRP 56 -6.798 -3.201 -1.642
427 HA TRP 56 HA TRP 56 -6.691 -5.534 -3.169
428 HB2 TRP 56 2HB TRP 56 -4.846 -4.176 -3.211
429 HB3 TRP 56 1HB TRP 56 -4.719 -4.181 -1.473
430 HD1 TRP 56 HD TRP 56 -4.036 -6.751 -4.152
431 HE1 TRP 56 1HE TRP 56 -2.271 -8.399 -3.287
432 HE3 TRP 56 3HE TRP 56 -3.437 -4.315 -0.555
433 HZ2 TRP 56 2HZ TRP 56 -0.538 -8.223 -0.924
434 HZ3 TRP 56 3HZ TRP 56 -1.712 -4.652 0.540
435 HH2 TRP 56 HH TRP 56 -0.252 -6.574 0.792
436 H CYS 57 H CYS 57 -7.111 -4.993 0.090
437 HA CYS 57 HA CYS 57 -6.114 -7.312 1.335
438 HB2 CYS 57 2HB CYS 57 -6.716 -5.234 2.541
439 HB3 CYS 57 1HB CYS 57 -8.415 -5.536 2.201
440 HG CYS 57 HG CYS 57 -8.505 -6.372 4.673
441 H GLY 58 H GLY 58 -9.392 -6.383 0.336
442 HA2 GLY 58 2HA GLY 58 -10.110 -9.246 0.237
443 HA3 GLY 58 1HA GLY 58 -11.268 -7.938 0.480
444 H GLU 59 H GLU 59 -8.580 -8.267 -1.747
445 HA GLU 59 HA GLU 59 -10.313 -7.361 -3.912
446 HB2 GLU 59 2HB GLU 59 -7.795 -6.587 -3.067
447 HB3 GLU 59 1HB GLU 59 -7.435 -7.661 -4.440
448 HG2 GLU 59 2HG GLU 59 -9.065 -5.134 -4.440
449 HG3 GLU 59 1HG GLU 59 -7.555 -5.454 -5.288
Start of MODEL 10
1 H1 ASP 5 H ASP 5 -5.995 6.784 -12.133
2 HA ASP 5 HA ASP 5 -7.594 7.686 -9.945
3 HB2 ASP 5 2HB ASP 5 -9.626 8.244 -11.328
4 HB3 ASP 5 1HB ASP 5 -8.332 9.431 -11.368
5 H ILE 6 H ILE 6 -7.719 5.818 -9.156
6 HA ILE 6 HA ILE 6 -8.271 3.746 -8.741
7 HB ILE 6 HB ILE 6 -10.210 3.765 -11.008
8 HG12 ILE 6 2HG1 ILE 6 -10.510 5.851 -9.737
9 HG13 ILE 6 1HG1 ILE 6 -11.891 4.783 -9.560
10 HG21 ILE 6 1HG2 ILE 6 -10.332 2.408 -8.316
11 HG22 ILE 6 2HG2 ILE 6 -9.983 1.629 -9.860
12 HG23 ILE 6 3HG2 ILE 6 -11.580 2.316 -9.560
13 HD11 ILE 6 3HD1 ILE 6 -11.312 5.842 -7.456
14 HD12 ILE 6 1HD1 ILE 6 -9.690 5.157 -7.547
15 HD13 ILE 6 2HD1 ILE 6 -11.088 4.094 -7.365
16 H ASP 7 H ASP 7 -6.556 4.421 -10.296
17 HA ASP 7 HA ASP 7 -5.666 1.793 -10.978
18 HB2 ASP 7 2HB ASP 7 -4.796 2.144 -13.142
19 HB3 ASP 7 1HB ASP 7 -6.349 2.969 -13.098
20 H GLU 8 H GLU 8 -5.152 3.985 -9.385
21 HA GLU 8 HA GLU 8 -2.263 4.173 -9.227
22 HB2 GLU 8 2HB GLU 8 -2.533 5.805 -7.496
23 HB3 GLU 8 1HB GLU 8 -3.688 6.212 -8.753
24 HG2 GLU 8 2HG GLU 8 -4.377 4.719 -6.231
25 HG3 GLU 8 1HG GLU 8 -4.552 6.459 -6.442
26 H ARG 9 H ARG 9 -5.032 2.805 -7.825
27 HA ARG 9 HA ARG 9 -4.039 2.099 -5.314
28 HB2 ARG 9 2HB ARG 9 -6.174 0.993 -5.076
29 HB3 ARG 9 1HB ARG 9 -6.394 2.474 -5.967
30 HG2 ARG 9 2HG ARG 9 -6.526 1.231 -8.049
31 HG3 ARG 9 1HG ARG 9 -6.295 -0.274 -7.161
32 HD2 ARG 9 2HD ARG 9 -8.343 0.332 -5.831
33 HD3 ARG 9 1HD ARG 9 -8.620 1.631 -6.992
34 HE ARG 9 HE ARG 9 -8.996 -0.029 -8.679
35 HH11 ARG 9 1HH1 ARG 9 -8.726 -1.241 -5.418
36 HH12 ARG 9 2HH1 ARG 9 -9.406 -2.801 -5.780
37 HH21 ARG 9 1HH2 ARG 9 -9.967 -2.052 -9.171
38 HH22 ARG 9 2HH2 ARG 9 -10.151 -3.238 -7.913
39 H ASN 10 H ASN 10 -4.551 0.149 -8.221
40 HA ASN 10 HA ASN 10 -3.866 -2.330 -7.001
41 HB2 ASN 10 2HB ASN 10 -4.068 -1.467 -9.895
42 HB3 ASN 10 1HB ASN 10 -3.601 -3.101 -9.438
43 HD21 ASN 10 1HD2 ASN 10 -6.168 -0.774 -9.529
44 HD22 ASN 10 2HD2 ASN 10 -7.445 -1.850 -9.095
45 H ILE 11 H ILE 11 -1.915 0.244 -8.072
46 HA ILE 11 HA ILE 11 0.457 -1.224 -8.533
47 HB ILE 11 HB ILE 11 0.172 1.569 -7.395
48 HG12 ILE 11 2HG1 ILE 11 0.576 0.672 -10.257
49 HG13 ILE 11 1HG1 ILE 11 -0.934 1.287 -9.590
50 HG21 ILE 11 1HG2 ILE 11 2.380 0.626 -7.004
51 HG22 ILE 11 2HG2 ILE 11 2.456 1.907 -8.214
52 HG23 ILE 11 3HG2 ILE 11 2.524 0.219 -8.714
53 HD11 ILE 11 3HD1 ILE 11 0.218 2.996 -10.858
54 HD12 ILE 11 1HD1 ILE 11 1.647 2.816 -9.841
55 HD13 ILE 11 2HD1 ILE 11 0.147 3.436 -9.151
56 H PHE 12 H PHE 12 -0.973 0.222 -5.590
57 HA PHE 12 HA PHE 12 1.338 -0.349 -4.032
58 HB2 PHE 12 2HB PHE 12 -1.336 0.791 -3.515
59 HB3 PHE 12 1HB PHE 12 -0.509 0.073 -2.132
60 HD1 PHE 12 2HD PHE 12 0.570 2.190 -5.057
61 HD2 PHE 12 1HD PHE 12 0.506 1.653 -0.823
62 HE1 PHE 12 2HE PHE 12 1.889 4.233 -4.768
63 HE2 PHE 12 1HE PHE 12 1.827 3.698 -0.546
64 HZ PHE 12 HZ PHE 12 2.517 4.991 -2.516
65 H PHE 13 H PHE 13 -1.913 -1.887 -3.898
66 HA PHE 13 HA PHE 13 -1.898 -4.381 -2.466
67 HB2 PHE 13 2HB PHE 13 -2.082 -4.138 -5.162
68 HB3 PHE 13 1HB PHE 13 -3.019 -5.048 -4.254
69 HD1 PHE 13 2HD PHE 13 -3.135 -1.836 -2.894
70 HD2 PHE 13 1HD PHE 13 -4.564 -4.157 -6.164
71 HE1 PHE 13 2HE PHE 13 -5.117 -0.396 -3.069
72 HE2 PHE 13 1HE PHE 13 -6.550 -2.739 -6.313
73 HZ PHE 13 HZ PHE 13 -6.832 -0.865 -4.766
74 H GLU 14 H GLU 14 -0.305 -3.668 -5.679
75 HA GLU 14 HA GLU 14 0.716 -6.335 -5.897
76 HB2 GLU 14 2HB GLU 14 0.263 -4.504 -7.744
77 HB3 GLU 14 1HB GLU 14 1.909 -4.007 -7.384
78 HG2 GLU 14 2HG GLU 14 1.132 -6.788 -8.227
79 HG3 GLU 14 1HG GLU 14 1.681 -5.531 -9.331
80 H LEU 15 H LEU 15 2.143 -3.192 -5.140
81 HA LEU 15 HA LEU 15 4.670 -4.112 -4.277
82 HB2 LEU 15 2HB LEU 15 3.300 -1.821 -2.929
83 HB3 LEU 15 1HB LEU 15 4.969 -1.972 -3.417
84 HG LEU 15 HG LEU 15 2.656 -1.549 -5.274
85 HD11 LEU 15 1HD1 LEU 15 3.016 0.400 -3.912
86 HD12 LEU 15 2HD1 LEU 15 3.556 0.706 -5.562
87 HD13 LEU 15 3HD1 LEU 15 4.738 0.384 -4.293
88 HD21 LEU 15 3HD2 LEU 15 5.628 -1.521 -5.797
89 HD22 LEU 15 1HD2 LEU 15 4.372 -1.118 -6.969
90 HD23 LEU 15 2HD2 LEU 15 4.489 -2.758 -6.331
91 H PHE 16 H PHE 16 1.441 -4.083 -2.877
92 HA PHE 16 HA PHE 16 2.277 -4.136 -0.196
93 HB2 PHE 16 2HB PHE 16 -0.089 -4.279 -1.867
94 HB3 PHE 16 1HB PHE 16 -0.267 -4.753 -0.224
95 HD1 PHE 16 2HD PHE 16 1.972 -2.156 -0.044
96 HD2 PHE 16 1HD PHE 16 -2.195 -2.880 -0.982
97 HE1 PHE 16 2HE PHE 16 1.401 0.157 0.579
98 HE2 PHE 16 1HE PHE 16 -2.682 -0.577 -0.359
99 HZ PHE 16 HZ PHE 16 -0.942 0.928 0.413
100 H ASP 17 H ASP 17 1.410 -6.422 -2.650
101 HA ASP 17 HA ASP 17 1.711 -8.722 -0.949
102 HB2 ASP 17 2HB ASP 17 0.345 -8.569 -3.141
103 HB3 ASP 17 1HB ASP 17 1.897 -8.754 -3.948
104 H ARG 18 H ARG 18 3.619 -7.017 -3.341
105 HA ARG 18 HA ARG 18 5.826 -8.687 -3.543
106 HB2 ARG 18 2HB ARG 18 5.371 -6.691 -4.960
107 HB3 ARG 18 1HB ARG 18 5.825 -5.661 -3.611
108 HG2 ARG 18 2HG ARG 18 8.084 -6.627 -3.661
109 HG3 ARG 18 1HG ARG 18 7.616 -7.598 -5.057
110 HD2 ARG 18 2HD ARG 18 7.653 -4.583 -4.910
111 HD3 ARG 18 1HD ARG 18 8.832 -5.594 -5.744
112 HE ARG 18 HE ARG 18 5.992 -5.589 -6.542
113 HH11 ARG 18 1HH1 ARG 18 9.387 -5.174 -7.316
114 HH12 ARG 18 2HH1 ARG 18 9.108 -5.013 -9.025
115 HH21 ARG 18 1HH2 ARG 18 5.612 -5.372 -8.772
116 HH22 ARG 18 2HH2 ARG 18 6.958 -5.142 -9.859
117 H TYR 19 H TYR 19 4.920 -6.505 -0.995
118 HA TYR 19 HA TYR 19 7.412 -7.182 0.423
119 HB2 TYR 19 2HB TYR 19 5.631 -4.753 0.672
120 HB3 TYR 19 1HB TYR 19 6.903 -5.136 1.829
121 HD1 TYR 19 2HD TYR 19 6.242 -4.234 -1.698
122 HD2 TYR 19 1HD TYR 19 9.190 -4.677 1.335
123 HE1 TYR 19 2HE TYR 19 7.888 -3.126 -3.144
124 HE2 TYR 19 1HE TYR 19 10.844 -3.569 -0.105
125 HH TYR 19 HH TYR 19 9.962 -1.943 -3.023
126 H LYS 20 H LYS 20 4.513 -8.280 0.110
127 HA LYS 20 HA LYS 20 2.945 -9.373 1.340
128 HB2 LYS 20 2HB LYS 20 5.466 -10.030 2.786
129 HB3 LYS 20 1HB LYS 20 3.950 -10.843 3.109
130 HG2 LYS 20 2HG LYS 20 5.312 -10.782 0.422
131 HG3 LYS 20 1HG LYS 20 5.438 -12.104 1.585
132 HD2 LYS 20 2HD LYS 20 3.013 -12.427 1.484
133 HD3 LYS 20 1HD LYS 20 2.882 -11.101 0.329
134 HE2 LYS 20 2HE LYS 20 4.495 -13.601 -0.137
135 HE3 LYS 20 1HE LYS 20 2.838 -13.382 -0.690
136 HZ1 LYS 20 3HZ LYS 20 4.411 -12.898 -2.444
137 HZ2 LYS 20 1HZ LYS 20 5.171 -11.716 -1.489
138 HZ3 LYS 20 2HZ LYS 20 3.572 -11.489 -2.012
139 H LEU 21 H LEU 21 1.976 -7.351 2.032
140 HA LEU 21 HA LEU 21 2.368 -6.615 4.836
141 HB2 LEU 21 2HB LEU 21 0.427 -5.754 2.690
142 HB3 LEU 21 1HB LEU 21 0.605 -4.957 4.231
143 HG LEU 21 HG LEU 21 2.423 -4.993 1.871
144 HD11 LEU 21 1HD1 LEU 21 1.346 -2.791 3.607
145 HD12 LEU 21 2HD1 LEU 21 0.777 -3.237 1.997
146 HD13 LEU 21 3HD1 LEU 21 2.396 -2.573 2.208
147 HD21 LEU 21 3HD2 LEU 21 3.875 -5.561 3.740
148 HD22 LEU 21 1HD2 LEU 21 3.236 -4.203 4.666
149 HD23 LEU 21 2HD2 LEU 21 4.178 -3.908 3.204
150 H ASP 22 H ASP 22 0.068 -6.186 5.787
151 HA ASP 22 HA ASP 22 -1.766 -8.440 5.371
152 HB2 ASP 22 2HB ASP 22 -0.952 -7.129 7.984
153 HB3 ASP 22 1HB ASP 22 -2.285 -8.278 7.828
154 H LYS 23 H LYS 23 -3.477 -7.690 4.550
155 HA LYS 23 HA LYS 23 -3.609 -4.794 4.133
156 HB2 LYS 23 2HB LYS 23 -5.281 -6.986 2.909
157 HB3 LYS 23 1HB LYS 23 -5.105 -5.317 2.344
158 HG2 LYS 23 2HG LYS 23 -3.312 -6.003 1.129
159 HG3 LYS 23 1HG LYS 23 -2.570 -6.178 2.695
160 HD2 LYS 23 2HD LYS 23 -4.024 -8.497 2.491
161 HD3 LYS 23 1HD LYS 23 -3.303 -8.249 0.888
162 HE2 LYS 23 2HE LYS 23 -2.019 -8.815 3.450
163 HE3 LYS 23 1HE LYS 23 -1.438 -9.081 1.806
164 HZ1 LYS 23 3HZ LYS 23 -0.022 -7.451 2.567
165 HZ2 LYS 23 1HZ LYS 23 -1.194 -6.592 3.494
166 HZ3 LYS 23 2HZ LYS 23 -1.188 -6.532 1.774
167 H PHE 24 H PHE 24 -4.843 -6.965 6.277
168 HA PHE 24 HA PHE 24 -7.372 -5.537 6.740
169 HB2 PHE 24 2HB PHE 24 -7.925 -7.599 5.687
170 HB3 PHE 24 1HB PHE 24 -6.772 -8.491 6.667
171 HD1 PHE 24 2HD PHE 24 -9.966 -6.627 6.822
172 HD2 PHE 24 1HD PHE 24 -7.412 -9.507 8.619
173 HE1 PHE 24 2HE PHE 24 -11.770 -7.232 8.388
174 HE2 PHE 24 1HE PHE 24 -9.210 -10.127 10.191
175 HZ PHE 24 HZ PHE 24 -11.390 -8.988 10.075
176 H SER 25 H SER 25 -4.598 -7.187 8.020
177 HA SER 25 HA SER 25 -5.235 -7.355 10.733
178 HB2 SER 25 2HB SER 25 -2.673 -7.156 9.176
179 HB3 SER 25 1HB SER 25 -2.638 -7.259 10.925
180 HG SER 25 HG SER 25 -4.284 -9.134 10.145
181 H THR 26 H THR 26 -2.823 -5.097 9.505
182 HA THR 26 HA THR 26 -4.120 -2.784 10.820
183 HB THR 26 HB THR 26 -1.533 -2.118 11.140
184 HG1 THR 26 1HG THR 26 -0.641 -4.177 12.171
185 HG21 THR 26 3HG2 THR 26 -3.137 -3.780 13.106
186 HG22 THR 26 1HG2 THR 26 -3.251 -2.036 12.882
187 HG23 THR 26 2HG2 THR 26 -1.765 -2.749 13.510
188 H TRP 27 H TRP 27 -3.502 -0.915 9.991
189 HA TRP 27 HA TRP 27 -2.783 -1.031 7.195
190 HB2 TRP 27 2HB TRP 27 -4.098 0.844 7.695
191 HB3 TRP 27 1HB TRP 27 -3.167 1.226 9.140
192 HD1 TRP 27 HD TRP 27 -1.957 3.461 8.651
193 HE1 TRP 27 1HE TRP 27 -0.686 4.571 6.821
194 HE3 TRP 27 3HE TRP 27 -2.643 -0.092 5.154
195 HZ2 TRP 27 2HZ TRP 27 -0.160 4.105 4.198
196 HZ3 TRP 27 3HZ TRP 27 -1.814 0.453 2.905
197 HH2 TRP 27 HH TRP 27 -0.747 2.593 2.572
198 H SER 28 H SER 28 -1.164 0.127 10.154
199 HA SER 28 HA SER 28 1.008 0.755 8.483
200 HB2 SER 28 2HB SER 28 2.166 1.231 10.560
201 HB3 SER 28 1HB SER 28 1.138 2.365 9.787
202 HG SER 28 HG SER 28 0.157 2.451 11.694
203 H LEU 29 H LEU 29 0.572 -2.000 10.614
204 HA LEU 29 HA LEU 29 3.299 -2.515 11.012
205 HB2 LEU 29 2HB LEU 29 1.034 -3.940 11.498
206 HB3 LEU 29 1HB LEU 29 1.627 -4.801 10.095
207 HG LEU 29 HG LEU 29 3.216 -4.390 12.634
208 HD11 LEU 29 1HD1 LEU 29 2.771 -6.766 13.037
209 HD12 LEU 29 2HD1 LEU 29 1.706 -6.800 11.632
210 HD13 LEU 29 3HD1 LEU 29 1.287 -5.811 13.031
211 HD21 LEU 29 3HD2 LEU 29 4.610 -4.673 10.648
212 HD22 LEU 29 1HD2 LEU 29 3.721 -6.136 10.225
213 HD23 LEU 29 2HD2 LEU 29 4.697 -6.090 11.695
214 H GLN 30 H GLN 30 1.253 -2.508 8.358
215 HA GLN 30 HA GLN 30 3.128 -3.658 6.479
216 HB2 GLN 30 2HB GLN 30 0.386 -2.545 5.736
217 HB3 GLN 30 1HB GLN 30 1.395 -3.659 4.873
218 HG2 GLN 30 2HG GLN 30 -0.612 -4.610 5.946
219 HG3 GLN 30 1HG GLN 30 0.889 -5.416 6.331
220 HE21 GLN 30 1HE2 GLN 30 0.205 -6.359 8.217
221 HE22 GLN 30 2HE2 GLN 30 -0.244 -5.461 9.625
222 H SER 31 H SER 31 1.575 -0.531 7.148
223 HA SER 31 HA SER 31 3.185 0.810 5.278
224 HB2 SER 31 2HB SER 31 2.203 2.922 5.966
225 HB3 SER 31 1HB SER 31 1.096 1.703 5.344
226 HG SER 31 HG SER 31 0.169 2.468 7.176
227 H LYS 32 H LYS 32 3.717 0.528 8.695
228 HA LYS 32 HA LYS 32 5.839 2.477 8.647
229 HB2 LYS 32 2HB LYS 32 6.505 1.536 10.814
230 HB3 LYS 32 1HB LYS 32 4.777 1.848 10.790
231 HG2 LYS 32 2HG LYS 32 4.426 -0.572 10.288
232 HG3 LYS 32 1HG LYS 32 6.147 -0.824 10.550
233 HD2 LYS 32 2HD LYS 32 4.261 0.356 12.582
234 HD3 LYS 32 1HD LYS 32 4.734 -1.342 12.527
235 HE2 LYS 32 2HE LYS 32 7.091 -0.652 12.811
236 HE3 LYS 32 1HE LYS 32 6.557 1.023 12.958
237 HZ1 LYS 32 3HZ LYS 32 5.335 0.476 14.925
238 HZ2 LYS 32 1HZ LYS 32 6.923 -0.090 15.120
239 HZ3 LYS 32 2HZ LYS 32 5.671 -1.174 14.750
240 H LYS 33 H LYS 33 5.212 -0.453 7.380
241 HA LYS 33 HA LYS 33 7.988 -1.413 7.317
242 HB2 LYS 33 2HB LYS 33 6.335 -3.123 7.594
243 HB3 LYS 33 1HB LYS 33 5.446 -2.574 6.182
244 HG2 LYS 33 2HG LYS 33 7.262 -3.272 4.737
245 HG3 LYS 33 1HG LYS 33 8.208 -3.772 6.138
246 HD2 LYS 33 2HD LYS 33 5.495 -4.928 5.555
247 HD3 LYS 33 1HD LYS 33 6.957 -5.580 4.818
248 HE2 LYS 33 2HE LYS 33 6.680 -6.921 6.685
249 HE3 LYS 33 1HE LYS 33 7.847 -5.721 7.235
250 HZ1 LYS 33 3HZ LYS 33 6.240 -6.001 8.927
251 HZ2 LYS 33 1HZ LYS 33 4.943 -5.830 7.846
252 HZ3 LYS 33 2HZ LYS 33 5.924 -4.496 8.220
253 H ILE 34 H ILE 34 5.619 -1.004 4.649
254 HA ILE 34 HA ILE 34 7.517 -0.970 2.595
255 HB ILE 34 HB ILE 34 5.726 0.169 1.185
256 HG12 ILE 34 2HG1 ILE 34 3.720 0.876 2.039
257 HG13 ILE 34 1HG1 ILE 34 3.564 -0.566 3.038
258 HG21 ILE 34 1HG2 ILE 34 4.374 -1.872 1.083
259 HG22 ILE 34 2HG2 ILE 34 5.101 -2.410 2.596
260 HG23 ILE 34 3HG2 ILE 34 6.103 -2.200 1.160
261 HD11 ILE 34 3HD1 ILE 34 5.058 1.943 3.621
262 HD12 ILE 34 1HD1 ILE 34 4.926 0.549 4.692
263 HD13 ILE 34 2HD1 ILE 34 3.484 1.470 4.262
264 H GLU 35 H GLU 35 6.435 1.608 4.570
265 HA GLU 35 HA GLU 35 6.583 3.932 3.478
266 HB2 GLU 35 2HB GLU 35 6.590 3.507 5.928
267 HB3 GLU 35 1HB GLU 35 8.347 3.383 5.858
268 HG2 GLU 35 2HG GLU 35 7.392 5.737 4.555
269 HG3 GLU 35 1HG GLU 35 6.849 5.686 6.229
270 H ASN 36 H ASN 36 9.687 3.197 4.815
271 HA ASN 36 HA ASN 36 11.199 4.775 3.105
272 HB2 ASN 36 2HB ASN 36 13.164 3.463 4.023
273 HB3 ASN 36 1HB ASN 36 12.122 4.247 5.201
274 HD21 ASN 36 1HD2 ASN 36 11.213 1.271 3.563
275 HD22 ASN 36 2HD2 ASN 36 11.348 0.260 4.956
276 H ASP 37 H ASP 37 9.571 2.795 1.570
277 HA ASP 37 HA ASP 37 11.779 1.851 -0.136
278 HB2 ASP 37 2HB ASP 37 9.075 0.554 0.306
279 HB3 ASP 37 1HB ASP 37 10.193 0.084 -0.971
280 HA PRO 38 HA PRO 38 10.360 4.706 -3.145
281 HB2 PRO 38 2HB PRO 38 10.803 2.549 -5.141
282 HB3 PRO 38 1HB PRO 38 11.463 4.187 -5.087
283 HG2 PRO 38 2HG PRO 38 12.980 2.088 -4.463
284 HG3 PRO 38 1HG PRO 38 13.118 3.613 -3.569
285 HD2 PRO 38 2HD PRO 38 11.786 1.060 -2.775
286 HD3 PRO 38 1HD PRO 38 12.712 2.208 -1.787
287 H ASP 39 H ASP 39 8.985 1.532 -2.968
288 HA ASP 39 HA ASP 39 6.985 1.892 -4.954
289 HB2 ASP 39 2HB ASP 39 7.166 -0.117 -2.700
290 HB3 ASP 39 1HB ASP 39 6.043 -0.206 -4.056
291 H PHE 40 H PHE 40 6.959 2.151 -1.401
292 HA PHE 40 HA PHE 40 4.156 2.769 -1.299
293 HB2 PHE 40 2HB PHE 40 5.357 1.758 0.570
294 HB3 PHE 40 1HB PHE 40 6.371 3.177 0.710
295 HD1 PHE 40 1HD PHE 40 2.685 2.222 0.982
296 HD2 PHE 40 2HD PHE 40 5.898 4.711 2.275
297 HE1 PHE 40 1HE PHE 40 1.308 3.058 2.768
298 HE2 PHE 40 2HE PHE 40 4.478 5.550 4.082
299 HZ PHE 40 HZ PHE 40 2.208 4.674 4.321
300 H TYR 41 H TYR 41 6.874 4.479 -2.263
301 HA TYR 41 HA TYR 41 5.771 7.100 -1.636
302 HB2 TYR 41 2HB TYR 41 8.323 6.257 -3.010
303 HB3 TYR 41 1HB TYR 41 7.827 7.935 -2.838
304 HD1 TYR 41 1HD TYR 41 6.746 7.846 -0.033
305 HD2 TYR 41 2HD TYR 41 10.273 6.181 -1.730
306 HE1 TYR 41 1HE TYR 41 7.857 7.973 2.159
307 HE2 TYR 41 2HE TYR 41 11.389 6.296 0.453
308 HH TYR 41 HH TYR 41 9.782 6.786 3.341
309 H LYS 42 H LYS 42 5.123 4.856 -3.944
310 HA LYS 42 HA LYS 42 5.177 6.182 -6.392
311 HB2 LYS 42 2HB LYS 42 3.148 4.224 -5.315
312 HB3 LYS 42 1HB LYS 42 3.144 4.773 -6.975
313 HG2 LYS 42 2HG LYS 42 5.370 3.254 -5.627
314 HG3 LYS 42 1HG LYS 42 4.166 2.570 -6.713
315 HD2 LYS 42 2HD LYS 42 5.921 2.863 -8.158
316 HD3 LYS 42 1HD LYS 42 5.077 4.398 -8.365
317 HE2 LYS 42 2HE LYS 42 6.653 5.575 -7.138
318 HE3 LYS 42 1HE LYS 42 7.237 4.131 -6.311
319 HZ1 LYS 42 3HZ LYS 42 8.796 4.974 -7.991
320 HZ2 LYS 42 1HZ LYS 42 7.638 4.700 -9.201
321 HZ3 LYS 42 2HZ LYS 42 8.276 3.396 -8.326
322 H ILE 43 H ILE 43 2.519 6.089 -4.045
323 HA ILE 43 HA ILE 43 1.211 8.298 -5.404
324 HB ILE 43 HB ILE 43 0.336 6.662 -3.019
325 HG12 ILE 43 2HG1 ILE 43 0.321 5.371 -5.073
326 HG13 ILE 43 1HG1 ILE 43 -1.336 5.750 -4.612
327 HG21 ILE 43 1HG2 ILE 43 -1.178 8.780 -4.544
328 HG22 ILE 43 2HG2 ILE 43 -0.593 8.905 -2.885
329 HG23 ILE 43 3HG2 ILE 43 -1.852 7.739 -3.291
330 HD11 ILE 43 3HD1 ILE 43 -1.000 5.985 -7.007
331 HD12 ILE 43 1HD1 ILE 43 0.273 7.173 -6.723
332 HD13 ILE 43 2HD1 ILE 43 -1.391 7.538 -6.268
333 H ARG 44 H ARG 44 1.274 10.320 -4.744
334 HA ARG 44 HA ARG 44 3.132 11.271 -2.901
335 HB2 ARG 44 2HB ARG 44 2.262 12.614 -4.742
336 HB3 ARG 44 1HB ARG 44 0.662 12.606 -4.014
337 HG2 ARG 44 2HG ARG 44 1.751 13.751 -2.014
338 HG3 ARG 44 1HG ARG 44 3.132 14.021 -3.080
339 HD2 ARG 44 2HD ARG 44 1.681 15.958 -3.102
340 HD3 ARG 44 1HD ARG 44 1.649 15.162 -4.675
341 HE ARG 44 HE ARG 44 -0.453 14.145 -3.126
342 HH11 ARG 44 1HH1 ARG 44 0.492 17.163 -4.631
343 HH12 ARG 44 2HH1 ARG 44 -1.149 17.689 -4.897
344 HH21 ARG 44 1HH2 ARG 44 -2.579 14.805 -3.452
345 HH22 ARG 44 2HH2 ARG 44 -2.910 16.339 -4.219
346 H ASP 45 H ASP 45 -0.399 10.986 -2.600
347 HA ASP 45 HA ASP 45 -0.324 12.006 0.100
348 HB2 ASP 45 2HB ASP 45 -2.605 11.023 -1.617
349 HB3 ASP 45 1HB ASP 45 -2.804 11.649 0.016
350 H ASP 46 H ASP 46 -0.104 10.859 1.840
351 HA ASP 46 HA ASP 46 0.064 7.984 1.760
352 HB2 ASP 46 2HB ASP 46 1.533 9.411 3.182
353 HB3 ASP 46 1HB ASP 46 0.126 9.870 4.135
354 H THR 47 H THR 47 -2.308 10.360 2.711
355 HA THR 47 HA THR 47 -3.947 8.563 4.206
356 HB THR 47 HB THR 47 -3.982 11.060 4.465
357 HG1 THR 47 1HG THR 47 -5.955 9.317 4.618
358 HG21 THR 47 3HG2 THR 47 -5.569 10.936 1.895
359 HG22 THR 47 1HG2 THR 47 -3.990 11.692 2.107
360 HG23 THR 47 2HG2 THR 47 -5.403 12.355 2.929
361 H VAL 48 H VAL 48 -3.242 8.559 1.021
362 HA VAL 48 HA VAL 48 -5.829 7.377 0.286
363 HB VAL 48 HB VAL 48 -3.514 8.136 -1.517
364 HG11 VAL 48 1HG1 VAL 48 -5.088 7.763 -3.355
365 HG12 VAL 48 2HG1 VAL 48 -6.308 7.221 -2.202
366 HG13 VAL 48 3HG1 VAL 48 -4.824 6.292 -2.420
367 HG21 VAL 48 3HG2 VAL 48 -4.566 10.111 -0.571
368 HG22 VAL 48 1HG2 VAL 48 -6.154 9.524 -1.068
369 HG23 VAL 48 2HG2 VAL 48 -4.956 9.965 -2.285
370 H ARG 49 H ARG 49 -2.486 6.787 0.865
371 HA ARG 49 HA ARG 49 -2.020 4.370 -0.465
372 HB2 ARG 49 2HB ARG 49 -0.902 5.429 2.139
373 HB3 ARG 49 1HB ARG 49 -0.248 4.046 1.305
374 HG2 ARG 49 2HG ARG 49 0.256 5.445 -0.622
375 HG3 ARG 49 1HG ARG 49 -0.441 6.799 0.244
376 HD2 ARG 49 2HD ARG 49 1.268 6.518 2.009
377 HD3 ARG 49 1HD ARG 49 1.999 5.247 1.035
378 HE ARG 49 HE ARG 49 2.014 7.270 -0.689
379 HH11 ARG 49 1HH1 ARG 49 2.847 7.245 2.708
380 HH12 ARG 49 2HH1 ARG 49 4.135 8.404 2.534
381 HH21 ARG 49 1HH2 ARG 49 3.663 8.812 -0.930
382 HH22 ARG 49 2HH2 ARG 49 4.599 9.306 0.453
383 H GLU 50 H GLU 50 -3.383 4.982 2.746
384 HA GLU 50 HA GLU 50 -3.372 2.157 3.203
385 HB2 GLU 50 2HB GLU 50 -4.841 3.248 5.188
386 HB3 GLU 50 1HB GLU 50 -3.271 2.698 5.282
387 HG2 GLU 50 2HG GLU 50 -3.476 4.720 6.259
388 HG3 GLU 50 1HG GLU 50 -2.416 4.863 4.975
389 H SER 51 H SER 51 -5.774 4.536 2.311
390 HA SER 51 HA SER 51 -7.969 2.758 2.457
391 HB2 SER 51 2HB SER 51 -7.529 5.007 0.468
392 HB3 SER 51 1HB SER 51 -9.079 4.281 0.900
393 HG SER 51 HG SER 51 -7.972 4.997 3.161
394 H LEU 52 H LEU 52 -5.193 2.589 0.657
395 HA LEU 52 HA LEU 52 -6.097 1.492 -1.692
396 HB2 LEU 52 2HB LEU 52 -3.472 1.455 -0.422
397 HB3 LEU 52 1HB LEU 52 -3.742 0.742 -1.959
398 HG LEU 52 HG LEU 52 -3.979 3.656 -1.257
399 HD11 LEU 52 1HD1 LEU 52 -2.280 2.234 -3.283
400 HD12 LEU 52 2HD1 LEU 52 -1.736 2.908 -1.748
401 HD13 LEU 52 3HD1 LEU 52 -2.336 3.975 -3.016
402 HD21 LEU 52 3HD2 LEU 52 -4.784 2.344 -3.846
403 HD22 LEU 52 1HD2 LEU 52 -4.702 4.079 -3.551
404 HD23 LEU 52 2HD2 LEU 52 -5.869 3.090 -2.671
405 H PHE 53 H PHE 53 -5.021 0.338 0.976
406 HA PHE 53 HA PHE 53 -4.181 -2.155 0.038
407 HB2 PHE 53 2HB PHE 53 -2.893 -1.208 1.493
408 HB3 PHE 53 1HB PHE 53 -4.145 0.065 1.623
409 HD1 PHE 53 1HD PHE 53 -5.727 -0.157 3.468
410 HD2 PHE 53 2HD PHE 53 -2.408 -2.733 3.159
411 HE1 PHE 53 1HE PHE 53 -6.014 -0.770 5.854
412 HE2 PHE 53 2HE PHE 53 -2.655 -3.382 5.536
413 HZ PHE 53 HZ PHE 53 -4.469 -2.392 6.884
414 H GLU 54 H GLU 54 -6.675 -0.767 1.961
415 HA GLU 54 HA GLU 54 -8.054 -3.028 2.914
416 HB2 GLU 54 2HB GLU 54 -9.744 -0.802 1.954
417 HB3 GLU 54 1HB GLU 54 -9.693 -1.569 3.532
418 HG2 GLU 54 2HG GLU 54 -7.614 -0.335 4.015
419 HG3 GLU 54 1HG GLU 54 -7.801 0.490 2.463
420 H GLU 55 H GLU 55 -8.129 -1.392 -0.199
421 HA GLU 55 HA GLU 55 -10.295 -2.909 -1.278
422 HB2 GLU 55 2HB GLU 55 -8.116 -1.679 -2.958
423 HB3 GLU 55 1HB GLU 55 -9.818 -1.875 -3.347
424 HG2 GLU 55 2HG GLU 55 -8.733 0.010 -1.270
425 HG3 GLU 55 1HG GLU 55 -9.157 0.457 -2.920
426 H TRP 56 H TRP 56 -6.768 -3.127 -1.672
427 HA TRP 56 HA TRP 56 -6.835 -5.446 -3.253
428 HB2 TRP 56 2HB TRP 56 -5.000 -4.221 -3.580
429 HB3 TRP 56 1HB TRP 56 -4.746 -3.972 -1.868
430 HD1 TRP 56 HD TRP 56 -4.010 -6.649 -4.352
431 HE1 TRP 56 1HE TRP 56 -2.280 -8.269 -3.399
432 HE3 TRP 56 3HE TRP 56 -3.556 -4.176 -0.700
433 HZ2 TRP 56 2HZ TRP 56 -0.688 -8.149 -1.106
434 HZ3 TRP 56 3HZ TRP 56 -1.835 -4.567 0.458
435 HH2 TRP 56 HH TRP 56 -0.439 -6.501 0.666
436 H CYS 57 H CYS 57 -7.234 -4.915 -0.068
437 HA CYS 57 HA CYS 57 -6.285 -7.240 1.203
438 HB2 CYS 57 2HB CYS 57 -6.935 -5.383 2.565
439 HB3 CYS 57 1HB CYS 57 -8.553 -5.348 1.874
440 HG CYS 57 HG CYS 57 -9.454 -6.491 3.995
441 H GLY 58 H GLY 58 -9.513 -6.360 -0.049
442 HA2 GLY 58 2HA GLY 58 -10.275 -9.216 0.004
443 HA3 GLY 58 1HA GLY 58 -11.399 -7.860 -0.073
444 H GLU 59 H GLU 59 -8.483 -7.973 -1.878
445 HA GLU 59 HA GLU 59 -9.983 -7.532 -4.312
446 HB2 GLU 59 2HB GLU 59 -7.871 -6.254 -3.359
447 HB3 GLU 59 1HB GLU 59 -6.999 -7.602 -4.110
448 HG2 GLU 59 2HG GLU 59 -7.092 -5.696 -5.611
449 HG3 GLU 59 1HG GLU 59 -7.945 -7.085 -6.284
Start of MODEL 11
1 H1 ASP 5 H ASP 5 -6.921 7.351 -9.083
2 HA ASP 5 HA ASP 5 -9.712 7.352 -8.511
3 HB2 ASP 5 2HB ASP 5 -10.589 8.183 -10.623
4 HB3 ASP 5 1HB ASP 5 -9.643 9.435 -9.833
5 H ILE 6 H ILE 6 -8.711 5.275 -8.184
6 HA ILE 6 HA ILE 6 -8.062 3.184 -8.678
7 HB ILE 6 HB ILE 6 -9.571 1.887 -10.070
8 HG12 ILE 6 2HG1 ILE 6 -11.025 4.498 -10.572
9 HG13 ILE 6 1HG1 ILE 6 -10.112 3.604 -11.783
10 HG21 ILE 6 1HG2 ILE 6 -10.073 2.269 -7.737
11 HG22 ILE 6 2HG2 ILE 6 -11.572 2.243 -8.667
12 HG23 ILE 6 3HG2 ILE 6 -10.893 3.779 -8.130
13 HD11 ILE 6 3HD1 ILE 6 -12.585 2.658 -10.358
14 HD12 ILE 6 1HD1 ILE 6 -11.662 1.724 -11.536
15 HD13 ILE 6 2HD1 ILE 6 -12.478 3.207 -12.030
16 H ASP 7 H ASP 7 -6.124 3.259 -9.419
17 HA ASP 7 HA ASP 7 -5.522 2.259 -11.858
18 HB2 ASP 7 2HB ASP 7 -5.973 4.488 -12.748
19 HB3 ASP 7 1HB ASP 7 -4.740 5.080 -11.640
20 H GLU 8 H GLU 8 -4.635 4.160 -9.917
21 HA GLU 8 HA GLU 8 -1.846 3.483 -9.490
22 HB2 GLU 8 2HB GLU 8 -1.728 5.366 -7.994
23 HB3 GLU 8 1HB GLU 8 -2.648 5.841 -9.413
24 HG2 GLU 8 2HG GLU 8 -3.789 5.091 -6.728
25 HG3 GLU 8 1HG GLU 8 -3.631 6.725 -7.369
26 H ARG 9 H ARG 9 -4.862 2.976 -7.829
27 HA ARG 9 HA ARG 9 -3.975 2.234 -5.305
28 HB2 ARG 9 2HB ARG 9 -6.113 1.127 -5.055
29 HB3 ARG 9 1HB ARG 9 -6.328 2.594 -5.986
30 HG2 ARG 9 2HG ARG 9 -6.414 1.280 -8.048
31 HG3 ARG 9 1HG ARG 9 -6.235 -0.191 -7.101
32 HD2 ARG 9 2HD ARG 9 -8.316 0.340 -5.910
33 HD3 ARG 9 1HD ARG 9 -8.512 1.780 -6.907
34 HE ARG 9 HE ARG 9 -8.676 0.220 -8.831
35 HH11 ARG 9 1HH1 ARG 9 -9.469 -0.823 -5.592
36 HH12 ARG 9 2HH1 ARG 9 -10.424 -2.186 -6.122
37 HH21 ARG 9 1HH2 ARG 9 -9.984 -1.529 -9.552
38 HH22 ARG 9 2HH2 ARG 9 -10.718 -2.587 -8.376
39 H ASN 10 H ASN 10 -4.483 0.167 -8.131
40 HA ASN 10 HA ASN 10 -3.827 -2.288 -6.852
41 HB2 ASN 10 2HB ASN 10 -3.811 -1.473 -9.781
42 HB3 ASN 10 1HB ASN 10 -3.475 -3.114 -9.235
43 HD21 ASN 10 1HD2 ASN 10 -5.899 -0.659 -9.605
44 HD22 ASN 10 2HD2 ASN 10 -7.262 -1.658 -9.242
45 H ILE 11 H ILE 11 -1.858 0.260 -8.079
46 HA ILE 11 HA ILE 11 0.553 -1.111 -8.355
47 HB ILE 11 HB ILE 11 0.127 1.680 -7.264
48 HG12 ILE 11 2HG1 ILE 11 0.755 0.738 -10.071
49 HG13 ILE 11 1HG1 ILE 11 -0.806 1.336 -9.524
50 HG21 ILE 11 1HG2 ILE 11 2.615 0.380 -8.376
51 HG22 ILE 11 2HG2 ILE 11 2.334 0.828 -6.694
52 HG23 ILE 11 3HG2 ILE 11 2.456 2.080 -7.928
53 HD11 ILE 11 3HD1 ILE 11 0.185 3.515 -9.073
54 HD12 ILE 11 1HD1 ILE 11 0.409 3.035 -10.754
55 HD13 ILE 11 2HD1 ILE 11 1.752 2.917 -9.618
56 H PHE 12 H PHE 12 -1.023 0.275 -5.439
57 HA PHE 12 HA PHE 12 1.249 -0.302 -3.821
58 HB2 PHE 12 2HB PHE 12 -1.458 0.792 -3.357
59 HB3 PHE 12 1HB PHE 12 -0.662 0.058 -1.967
60 HD1 PHE 12 1HD PHE 12 0.638 2.109 -4.819
61 HD2 PHE 12 2HD PHE 12 0.108 1.808 -0.585
62 HE1 PHE 12 1HE PHE 12 1.885 4.190 -4.503
63 HE2 PHE 12 2HE PHE 12 1.372 3.883 -0.290
64 HZ PHE 12 HZ PHE 12 2.255 5.081 -2.244
65 H PHE 13 H PHE 13 -2.007 -1.879 -3.816
66 HA PHE 13 HA PHE 13 -1.920 -4.418 -2.439
67 HB2 PHE 13 2HB PHE 13 -2.210 -4.293 -5.125
68 HB3 PHE 13 1HB PHE 13 -3.138 -5.043 -4.082
69 HD1 PHE 13 2HD PHE 13 -3.254 -1.862 -2.877
70 HD2 PHE 13 1HD PHE 13 -4.616 -4.196 -6.158
71 HE1 PHE 13 2HE PHE 13 -5.220 -0.409 -3.113
72 HE2 PHE 13 1HE PHE 13 -6.593 -2.774 -6.363
73 HZ PHE 13 HZ PHE 13 -6.904 -0.882 -4.840
74 H GLU 14 H GLU 14 -0.458 -3.625 -5.687
75 HA GLU 14 HA GLU 14 0.738 -6.194 -5.922
76 HB2 GLU 14 2HB GLU 14 1.050 -3.628 -7.448
77 HB3 GLU 14 1HB GLU 14 2.147 -4.970 -7.748
78 HG2 GLU 14 2HG GLU 14 -0.852 -5.084 -7.976
79 HG3 GLU 14 1HG GLU 14 0.274 -4.924 -9.324
80 H LEU 15 H LEU 15 2.049 -3.009 -5.056
81 HA LEU 15 HA LEU 15 4.622 -3.922 -4.296
82 HB2 LEU 15 2HB LEU 15 3.204 -1.757 -2.781
83 HB3 LEU 15 1HB LEU 15 4.897 -1.874 -3.189
84 HG LEU 15 HG LEU 15 2.681 -1.259 -5.112
85 HD11 LEU 15 1HD1 LEU 15 3.612 1.006 -5.140
86 HD12 LEU 15 2HD1 LEU 15 4.733 0.547 -3.858
87 HD13 LEU 15 3HD1 LEU 15 2.996 0.553 -3.552
88 HD21 LEU 15 3HD2 LEU 15 5.677 -1.231 -5.481
89 HD22 LEU 15 1HD2 LEU 15 4.493 -0.692 -6.673
90 HD23 LEU 15 2HD2 LEU 15 4.554 -2.390 -6.191
91 H PHE 16 H PHE 16 1.405 -4.080 -2.877
92 HA PHE 16 HA PHE 16 2.301 -4.247 -0.214
93 HB2 PHE 16 2HB PHE 16 -0.106 -4.322 -1.835
94 HB3 PHE 16 1HB PHE 16 -0.238 -4.881 -0.212
95 HD1 PHE 16 2HD PHE 16 2.001 -2.290 0.039
96 HD2 PHE 16 1HD PHE 16 -2.187 -2.963 -0.831
97 HE1 PHE 16 2HE PHE 16 1.446 -0.010 0.790
98 HE2 PHE 16 1HE PHE 16 -2.662 -0.700 -0.081
99 HZ PHE 16 HZ PHE 16 -0.898 0.765 0.720
100 H ASP 17 H ASP 17 1.445 -6.373 -2.781
101 HA ASP 17 HA ASP 17 1.706 -8.786 -1.247
102 HB2 ASP 17 2HB ASP 17 0.316 -8.593 -3.326
103 HB3 ASP 17 1HB ASP 17 1.801 -8.423 -4.244
104 H ARG 18 H ARG 18 3.606 -7.067 -3.617
105 HA ARG 18 HA ARG 18 5.808 -8.755 -3.784
106 HB2 ARG 18 2HB ARG 18 5.274 -6.716 -5.187
107 HB3 ARG 18 1HB ARG 18 5.939 -5.745 -3.884
108 HG2 ARG 18 2HG ARG 18 8.100 -6.749 -4.167
109 HG3 ARG 18 1HG ARG 18 7.457 -7.877 -5.362
110 HD2 ARG 18 2HD ARG 18 7.618 -4.877 -5.623
111 HD3 ARG 18 1HD ARG 18 8.613 -6.061 -6.472
112 HE ARG 18 HE ARG 18 6.057 -6.749 -7.146
113 HH11 ARG 18 1HH1 ARG 18 7.912 -3.791 -7.306
114 HH12 ARG 18 2HH1 ARG 18 7.105 -3.190 -8.718
115 HH21 ARG 18 1HH2 ARG 18 4.958 -5.970 -9.009
116 HH22 ARG 18 2HH2 ARG 18 5.413 -4.434 -9.684
117 H TYR 19 H TYR 19 4.893 -6.512 -1.294
118 HA TYR 19 HA TYR 19 7.454 -7.029 0.080
119 HB2 TYR 19 2HB TYR 19 5.542 -4.715 0.536
120 HB3 TYR 19 1HB TYR 19 7.077 -4.965 1.362
121 HD1 TYR 19 2HD TYR 19 8.524 -5.934 -1.233
122 HD2 TYR 19 1HD TYR 19 6.154 -2.511 -0.335
123 HE1 TYR 19 2HE TYR 19 9.650 -4.689 -3.024
124 HE2 TYR 19 1HE TYR 19 7.267 -1.266 -2.136
125 HH TYR 19 HH TYR 19 8.986 -1.260 -3.595
126 H LYS 20 H LYS 20 4.635 -8.296 -0.163
127 HA LYS 20 HA LYS 20 3.231 -9.565 1.080
128 HB2 LYS 20 2HB LYS 20 5.799 -9.832 2.532
129 HB3 LYS 20 1HB LYS 20 4.387 -10.708 3.061
130 HG2 LYS 20 2HG LYS 20 5.646 -12.200 1.732
131 HG3 LYS 20 1HG LYS 20 4.263 -11.705 0.762
132 HD2 LYS 20 2HD LYS 20 5.795 -9.976 -0.282
133 HD3 LYS 20 1HD LYS 20 7.128 -10.824 0.505
134 HE2 LYS 20 2HE LYS 20 6.861 -11.597 -1.786
135 HE3 LYS 20 1HE LYS 20 6.483 -12.891 -0.647
136 HZ1 LYS 20 3HZ LYS 20 4.462 -11.170 -1.980
137 HZ2 LYS 20 1HZ LYS 20 4.143 -12.495 -0.975
138 HZ3 LYS 20 2HZ LYS 20 4.876 -12.731 -2.487
139 H LEU 21 H LEU 21 1.923 -7.747 1.716
140 HA LEU 21 HA LEU 21 2.185 -7.159 4.556
141 HB2 LEU 21 2HB LEU 21 0.157 -6.154 2.580
142 HB3 LEU 21 1HB LEU 21 0.247 -5.688 4.267
143 HG LEU 21 HG LEU 21 2.177 -5.161 2.134
144 HD11 LEU 21 1HD1 LEU 21 0.332 -3.641 2.143
145 HD12 LEU 21 2HD1 LEU 21 1.796 -2.809 2.660
146 HD13 LEU 21 3HD1 LEU 21 0.602 -3.315 3.854
147 HD21 LEU 21 3HD2 LEU 21 3.609 -4.032 3.761
148 HD22 LEU 21 1HD2 LEU 21 3.478 -5.769 4.041
149 HD23 LEU 21 2HD2 LEU 21 2.557 -4.643 5.039
150 H ASP 22 H ASP 22 0.823 -7.642 5.994
151 HA ASP 22 HA ASP 22 -1.150 -9.731 5.465
152 HB2 ASP 22 2HB ASP 22 -0.426 -8.375 8.091
153 HB3 ASP 22 1HB ASP 22 -1.509 -9.753 7.917
154 H LYS 23 H LYS 23 -2.416 -8.730 4.213
155 HA LYS 23 HA LYS 23 -2.911 -6.003 4.152
156 HB2 LYS 23 2HB LYS 23 -3.486 -8.104 2.532
157 HB3 LYS 23 1HB LYS 23 -5.091 -7.572 3.031
158 HG2 LYS 23 2HG LYS 23 -3.112 -6.238 1.283
159 HG3 LYS 23 1HG LYS 23 -4.885 -6.088 1.359
160 HD2 LYS 23 2HD LYS 23 -4.260 -4.005 2.037
161 HD3 LYS 23 1HD LYS 23 -4.286 -4.814 3.606
162 HE2 LYS 23 2HE LYS 23 -1.735 -5.251 2.410
163 HE3 LYS 23 1HE LYS 23 -2.111 -3.524 2.309
164 HZ1 LYS 23 3HZ LYS 23 -2.599 -3.559 4.706
165 HZ2 LYS 23 1HZ LYS 23 -0.995 -3.974 4.365
166 HZ3 LYS 23 2HZ LYS 23 -2.111 -5.176 4.777
167 H PHE 24 H PHE 24 -4.368 -8.311 6.264
168 HA PHE 24 HA PHE 24 -6.755 -6.640 6.641
169 HB2 PHE 24 2HB PHE 24 -7.741 -8.702 7.665
170 HB3 PHE 24 1HB PHE 24 -7.319 -8.867 5.964
171 HD1 PHE 24 2HD PHE 24 -5.462 -10.276 5.269
172 HD2 PHE 24 1HD PHE 24 -6.533 -9.914 9.374
173 HE1 PHE 24 2HE PHE 24 -4.093 -12.249 5.796
174 HE2 PHE 24 1HE PHE 24 -5.168 -11.890 9.906
175 HZ PHE 24 HZ PHE 24 -3.947 -13.059 8.117
176 H SER 25 H SER 25 -3.822 -7.104 8.137
177 HA SER 25 HA SER 25 -4.775 -7.481 10.837
178 HB2 SER 25 2HB SER 25 -2.603 -8.413 10.084
179 HB3 SER 25 1HB SER 25 -1.984 -6.780 9.884
180 HG SER 25 HG SER 25 -1.907 -8.234 12.041
181 H THR 26 H THR 26 -2.528 -4.951 9.738
182 HA THR 26 HA THR 26 -4.351 -2.824 10.718
183 HB THR 26 HB THR 26 -1.762 -1.867 11.181
184 HG1 THR 26 1HG THR 26 -2.073 -4.564 11.934
185 HG21 THR 26 3HG2 THR 26 -2.531 -1.690 13.512
186 HG22 THR 26 1HG2 THR 26 -3.868 -2.789 13.163
187 HG23 THR 26 2HG2 THR 26 -3.794 -1.213 12.374
188 H TRP 27 H TRP 27 -3.884 -0.909 9.919
189 HA TRP 27 HA TRP 27 -3.230 -1.024 7.168
190 HB2 TRP 27 2HB TRP 27 -4.495 0.851 7.722
191 HB3 TRP 27 1HB TRP 27 -3.546 1.180 9.168
192 HD1 TRP 27 HD TRP 27 -2.433 3.479 8.731
193 HE1 TRP 27 1HE TRP 27 -1.264 4.713 6.939
194 HE3 TRP 27 3HE TRP 27 -2.932 -0.026 5.220
195 HZ2 TRP 27 2HZ TRP 27 -0.725 4.340 4.323
196 HZ3 TRP 27 3HZ TRP 27 -2.143 0.596 2.970
197 HH2 TRP 27 HH TRP 27 -1.204 2.796 2.667
198 H SER 28 H SER 28 -1.465 0.393 9.919
199 HA SER 28 HA SER 28 0.710 0.498 8.180
200 HB2 SER 28 2HB SER 28 1.959 1.286 10.047
201 HB3 SER 28 1HB SER 28 1.012 2.274 9.043
202 HG SER 28 HG SER 28 0.600 2.831 11.230
203 H LEU 29 H LEU 29 0.125 -1.721 10.802
204 HA LEU 29 HA LEU 29 2.747 -2.482 11.212
205 HB2 LEU 29 2HB LEU 29 0.452 -3.593 11.980
206 HB3 LEU 29 1HB LEU 29 0.738 -4.632 10.601
207 HG LEU 29 HG LEU 29 1.483 -5.645 12.714
208 HD11 LEU 29 1HD1 LEU 29 3.744 -4.983 10.842
209 HD12 LEU 29 2HD1 LEU 29 2.590 -6.306 10.663
210 HD13 LEU 29 3HD1 LEU 29 3.724 -6.302 12.014
211 HD21 LEU 29 3HD2 LEU 29 3.435 -3.352 12.809
212 HD22 LEU 29 1HD2 LEU 29 3.442 -4.755 13.878
213 HD23 LEU 29 2HD2 LEU 29 2.089 -3.625 13.913
214 H GLN 30 H GLN 30 0.659 -2.704 8.549
215 HA GLN 30 HA GLN 30 2.540 -4.165 6.871
216 HB2 GLN 30 2HB GLN 30 -0.231 -3.127 6.284
217 HB3 GLN 30 1HB GLN 30 0.817 -3.924 5.085
218 HG2 GLN 30 2HG GLN 30 -0.967 -5.352 6.200
219 HG3 GLN 30 1HG GLN 30 0.658 -5.988 6.161
220 HE21 GLN 30 1HE2 GLN 30 1.750 -6.356 8.065
221 HE22 GLN 30 2HE2 GLN 30 0.979 -6.277 9.603
222 H SER 31 H SER 31 0.962 -0.951 6.925
223 HA SER 31 HA SER 31 2.512 0.065 4.817
224 HB2 SER 31 2HB SER 31 1.569 2.237 5.162
225 HB3 SER 31 1HB SER 31 0.339 0.983 5.120
226 HG SER 31 HG SER 31 -0.004 2.435 6.824
227 H LYS 32 H LYS 32 3.261 -0.046 8.098
228 HA LYS 32 HA LYS 32 5.339 1.873 8.117
229 HB2 LYS 32 2HB LYS 32 5.025 -0.759 9.588
230 HB3 LYS 32 1HB LYS 32 6.350 0.358 9.878
231 HG2 LYS 32 2HG LYS 32 3.480 1.179 10.172
232 HG3 LYS 32 1HG LYS 32 4.384 0.421 11.486
233 HD2 LYS 32 2HD LYS 32 5.116 2.982 10.056
234 HD3 LYS 32 1HD LYS 32 4.426 2.858 11.675
235 HE2 LYS 32 2HE LYS 32 7.080 1.701 10.824
236 HE3 LYS 32 1HE LYS 32 6.871 3.218 11.695
237 HZ1 LYS 32 3HZ LYS 32 7.438 1.288 13.118
238 HZ2 LYS 32 1HZ LYS 32 5.951 0.582 12.715
239 HZ3 LYS 32 2HZ LYS 32 5.990 2.053 13.561
240 H LYS 33 H LYS 33 4.713 -0.664 6.160
241 HA LYS 33 HA LYS 33 7.585 -1.547 6.066
242 HB2 LYS 33 2HB LYS 33 5.157 -3.026 5.032
243 HB3 LYS 33 1HB LYS 33 6.818 -3.578 4.884
244 HG2 LYS 33 2HG LYS 33 7.005 -3.764 7.290
245 HG3 LYS 33 1HG LYS 33 5.379 -3.114 7.487
246 HD2 LYS 33 2HD LYS 33 5.039 -5.397 7.695
247 HD3 LYS 33 1HD LYS 33 4.655 -5.107 6.000
248 HE2 LYS 33 2HE LYS 33 7.380 -5.993 6.920
249 HE3 LYS 33 1HE LYS 33 6.098 -7.135 6.541
250 HZ1 LYS 33 3HZ LYS 33 7.494 -6.878 4.644
251 HZ2 LYS 33 1HZ LYS 33 7.354 -5.188 4.679
252 HZ3 LYS 33 2HZ LYS 33 6.012 -6.148 4.290
253 H ILE 34 H ILE 34 5.265 0.242 4.556
254 HA ILE 34 HA ILE 34 6.844 0.314 2.090
255 HB ILE 34 HB ILE 34 4.609 1.798 1.484
256 HG12 ILE 34 2HG1 ILE 34 3.277 0.975 3.437
257 HG13 ILE 34 1HG1 ILE 34 2.654 0.441 1.946
258 HG21 ILE 34 1HG2 ILE 34 5.151 -1.096 0.888
259 HG22 ILE 34 2HG2 ILE 34 5.757 0.303 0.001
260 HG23 ILE 34 3HG2 ILE 34 4.032 -0.065 0.001
261 HD11 ILE 34 3HD1 ILE 34 2.562 -1.329 3.546
262 HD12 ILE 34 1HD1 ILE 34 4.318 -1.272 3.692
263 HD13 ILE 34 2HD1 ILE 34 3.576 -1.743 2.164
264 H GLU 35 H GLU 35 5.685 1.955 4.817
265 HA GLU 35 HA GLU 35 5.338 4.504 4.500
266 HB2 GLU 35 2HB GLU 35 5.765 3.232 6.650
267 HB3 GLU 35 1HB GLU 35 7.463 3.644 6.441
268 HG2 GLU 35 2HG GLU 35 6.740 6.046 6.336
269 HG3 GLU 35 1HG GLU 35 5.161 5.491 6.819
270 H ASN 36 H ASN 36 8.674 3.959 5.380
271 HA ASN 36 HA ASN 36 9.500 6.244 3.818
272 HB2 ASN 36 2HB ASN 36 11.024 4.386 5.641
273 HB3 ASN 36 1HB ASN 36 11.785 5.713 4.769
274 HD21 ASN 36 1HD2 ASN 36 9.368 7.394 5.039
275 HD22 ASN 36 2HD2 ASN 36 9.353 7.932 6.687
276 H ASP 37 H ASP 37 8.700 3.529 2.606
277 HA ASP 37 HA ASP 37 11.053 3.034 0.943
278 HB2 ASP 37 2HB ASP 37 8.337 1.694 1.077
279 HB3 ASP 37 1HB ASP 37 9.579 1.247 -0.089
280 HA PRO 38 HA PRO 38 9.972 5.911 -2.170
281 HB2 PRO 38 2HB PRO 38 10.633 3.752 -4.112
282 HB3 PRO 38 1HB PRO 38 11.268 5.397 -3.995
283 HG2 PRO 38 2HG PRO 38 12.725 3.312 -3.208
284 HG3 PRO 38 1HG PRO 38 12.762 4.847 -2.319
285 HD2 PRO 38 2HD PRO 38 11.402 2.283 -1.629
286 HD3 PRO 38 1HD PRO 38 12.177 3.475 -0.566
287 H ASP 39 H ASP 39 8.573 2.718 -2.215
288 HA ASP 39 HA ASP 39 6.785 3.297 -4.388
289 HB2 ASP 39 2HB ASP 39 7.156 0.925 -2.589
290 HB3 ASP 39 1HB ASP 39 5.803 1.030 -3.715
291 H PHE 40 H PHE 40 6.605 3.444 -0.899
292 HA PHE 40 HA PHE 40 3.752 3.661 -0.718
293 HB2 PHE 40 2HB PHE 40 5.402 3.140 1.108
294 HB3 PHE 40 1HB PHE 40 5.874 4.822 1.079
295 HD1 PHE 40 1HD PHE 40 2.747 2.731 1.634
296 HD2 PHE 40 2HD PHE 40 5.028 6.200 2.624
297 HE1 PHE 40 1HE PHE 40 1.288 3.153 3.529
298 HE2 PHE 40 2HE PHE 40 3.534 6.619 4.520
299 HZ PHE 40 HZ PHE 40 1.699 5.066 4.985
300 H TYR 41 H TYR 41 6.328 5.738 -1.634
301 HA TYR 41 HA TYR 41 4.760 8.168 -1.407
302 HB2 TYR 41 2HB TYR 41 7.552 7.692 -2.468
303 HB3 TYR 41 1HB TYR 41 6.792 9.272 -2.322
304 HD1 TYR 41 1HD TYR 41 5.950 9.901 0.072
305 HD2 TYR 41 2HD TYR 41 8.848 6.891 -0.718
306 HE1 TYR 41 1HE TYR 41 6.765 10.091 2.382
307 HE2 TYR 41 2HE TYR 41 9.671 7.068 1.594
308 HH TYR 41 HH TYR 41 7.992 8.941 4.003
309 H LYS 42 H LYS 42 4.602 5.697 -3.461
310 HA LYS 42 HA LYS 42 4.545 6.950 -6.007
311 HB2 LYS 42 2HB LYS 42 3.175 4.489 -4.921
312 HB3 LYS 42 1HB LYS 42 2.971 5.007 -6.585
313 HG2 LYS 42 2HG LYS 42 5.586 4.279 -5.278
314 HG3 LYS 42 1HG LYS 42 4.653 3.249 -6.362
315 HD2 LYS 42 2HD LYS 42 4.942 4.865 -8.164
316 HD3 LYS 42 1HD LYS 42 5.837 5.927 -7.077
317 HE2 LYS 42 2HE LYS 42 7.344 4.658 -8.515
318 HE3 LYS 42 1HE LYS 42 7.569 4.233 -6.821
319 HZ1 LYS 42 3HZ LYS 42 5.791 2.631 -8.548
320 HZ2 LYS 42 1HZ LYS 42 6.591 2.170 -7.124
321 HZ3 LYS 42 2HZ LYS 42 7.465 2.371 -8.565
322 H ILE 43 H ILE 43 2.343 6.763 -3.335
323 HA ILE 43 HA ILE 43 0.412 8.407 -4.826
324 HB ILE 43 HB ILE 43 -0.027 6.745 -2.336
325 HG12 ILE 43 2HG1 ILE 43 0.045 5.369 -4.319
326 HG13 ILE 43 1HG1 ILE 43 -1.632 5.525 -3.805
327 HG21 ILE 43 1HG2 ILE 43 -2.384 7.417 -2.512
328 HG22 ILE 43 2HG2 ILE 43 -1.962 8.514 -3.826
329 HG23 ILE 43 3HG2 ILE 43 -1.324 8.792 -2.206
330 HD11 ILE 43 3HD1 ILE 43 -2.001 7.215 -5.524
331 HD12 ILE 43 1HD1 ILE 43 -1.431 5.694 -6.212
332 HD13 ILE 43 2HD1 ILE 43 -0.321 7.054 -6.037
333 H ARG 44 H ARG 44 0.236 10.443 -4.293
334 HA ARG 44 HA ARG 44 1.949 11.750 -2.520
335 HB2 ARG 44 2HB ARG 44 0.956 12.912 -4.384
336 HB3 ARG 44 1HB ARG 44 -0.663 12.615 -3.773
337 HG2 ARG 44 2HG ARG 44 -0.071 14.018 -1.784
338 HG3 ARG 44 1HG ARG 44 1.426 14.442 -2.618
339 HD2 ARG 44 2HD ARG 44 0.157 15.378 -4.466
340 HD3 ARG 44 1HD ARG 44 -1.355 14.896 -3.696
341 HE ARG 44 HE ARG 44 0.361 16.654 -2.144
342 HH11 ARG 44 1HH1 ARG 44 -2.366 16.386 -4.328
343 HH12 ARG 44 2HH1 ARG 44 -3.023 17.935 -3.907
344 HH21 ARG 44 1HH2 ARG 44 -0.520 18.690 -1.573
345 HH22 ARG 44 2HH2 ARG 44 -1.983 19.236 -2.341
346 H ASP 45 H ASP 45 -1.558 11.272 -2.237
347 HA ASP 45 HA ASP 45 -1.572 12.241 0.462
348 HB2 ASP 45 2HB ASP 45 -3.817 10.956 -1.102
349 HB3 ASP 45 1HB ASP 45 -3.971 11.953 0.342
350 H ASP 46 H ASP 46 -1.014 11.038 2.121
351 HA ASP 46 HA ASP 46 -0.788 8.215 2.149
352 HB2 ASP 46 2HB ASP 46 0.418 9.730 3.704
353 HB3 ASP 46 1HB ASP 46 -1.107 10.119 4.493
354 H THR 47 H THR 47 -3.420 10.389 2.871
355 HA THR 47 HA THR 47 -5.069 8.499 4.213
356 HB THR 47 HB THR 47 -6.007 10.968 2.748
357 HG1 THR 47 1HG THR 47 -4.655 10.666 5.235
358 HG21 THR 47 3HG2 THR 47 -7.701 11.028 4.522
359 HG22 THR 47 1HG2 THR 47 -7.026 9.556 5.219
360 HG23 THR 47 2HG2 THR 47 -7.772 9.513 3.622
361 H VAL 48 H VAL 48 -4.069 8.641 1.054
362 HA VAL 48 HA VAL 48 -6.444 7.200 0.098
363 HB VAL 48 HB VAL 48 -4.090 8.265 -1.487
364 HG11 VAL 48 1HG1 VAL 48 -5.443 7.756 -3.461
365 HG12 VAL 48 2HG1 VAL 48 -6.681 7.041 -2.431
366 HG13 VAL 48 3HG1 VAL 48 -5.085 6.299 -2.534
367 HG21 VAL 48 3HG2 VAL 48 -6.916 9.295 -1.257
368 HG22 VAL 48 1HG2 VAL 48 -5.681 9.921 -2.348
369 HG23 VAL 48 2HG2 VAL 48 -5.470 10.064 -0.603
370 H ARG 49 H ARG 49 -3.173 6.853 1.091
371 HA ARG 49 HA ARG 49 -2.438 4.517 -0.326
372 HB2 ARG 49 2HB ARG 49 -1.473 5.545 2.345
373 HB3 ARG 49 1HB ARG 49 -0.685 4.299 1.432
374 HG2 ARG 49 2HG ARG 49 -0.244 5.855 -0.368
375 HG3 ARG 49 1HG ARG 49 -1.095 7.096 0.534
376 HD2 ARG 49 2HD ARG 49 0.553 6.785 2.377
377 HD3 ARG 49 1HD ARG 49 1.458 5.727 1.303
378 HE ARG 49 HE ARG 49 1.390 7.846 -0.216
379 HH11 ARG 49 1HH1 ARG 49 1.779 7.783 3.270
380 HH12 ARG 49 2HH1 ARG 49 2.773 9.207 3.298
381 HH21 ARG 49 1HH2 ARG 49 2.657 9.733 -0.166
382 HH22 ARG 49 2HH2 ARG 49 3.259 10.327 1.347
383 H GLU 50 H GLU 50 -3.758 4.973 2.942
384 HA GLU 50 HA GLU 50 -3.993 2.125 3.229
385 HB2 GLU 50 2HB GLU 50 -5.314 3.055 5.298
386 HB3 GLU 50 1HB GLU 50 -3.668 2.727 5.305
387 HG2 GLU 50 2HG GLU 50 -4.211 4.680 6.302
388 HG3 GLU 50 1HG GLU 50 -3.105 4.950 5.104
389 H SER 51 H SER 51 -5.976 4.554 2.036
390 HA SER 51 HA SER 51 -8.317 2.848 1.925
391 HB2 SER 51 2HB SER 51 -7.471 5.030 -0.047
392 HB3 SER 51 1HB SER 51 -9.089 4.350 0.137
393 HG SER 51 HG SER 51 -7.637 5.863 2.066
394 H LEU 52 H LEU 52 -5.259 2.508 0.622
395 HA LEU 52 HA LEU 52 -5.934 1.273 -1.774
396 HB2 LEU 52 2HB LEU 52 -3.392 1.414 -0.349
397 HB3 LEU 52 1HB LEU 52 -3.528 0.704 -1.906
398 HG LEU 52 HG LEU 52 -4.081 3.583 -1.198
399 HD11 LEU 52 1HD1 LEU 52 -1.749 3.088 -1.548
400 HD12 LEU 52 2HD1 LEU 52 -2.390 4.125 -2.824
401 HD13 LEU 52 3HD1 LEU 52 -2.122 2.408 -3.131
402 HD21 LEU 52 3HD2 LEU 52 -4.591 2.217 -3.826
403 HD22 LEU 52 1HD2 LEU 52 -4.681 3.954 -3.536
404 HD23 LEU 52 2HD2 LEU 52 -5.802 2.864 -2.722
405 H PHE 53 H PHE 53 -5.020 0.333 1.042
406 HA PHE 53 HA PHE 53 -4.205 -2.262 0.354
407 HB2 PHE 53 2HB PHE 53 -2.997 -1.390 1.977
408 HB3 PHE 53 1HB PHE 53 -4.074 0.043 1.678
409 HD1 PHE 53 2HD PHE 53 -5.686 0.575 3.274
410 HD2 PHE 53 1HD PHE 53 -3.345 -2.863 3.922
411 HE1 PHE 53 2HE PHE 53 -6.536 0.452 5.602
412 HE2 PHE 53 1HE PHE 53 -4.161 -3.026 6.240
413 HZ PHE 53 HZ PHE 53 -5.768 -1.360 7.088
414 H GLU 54 H GLU 54 -6.725 -0.591 2.012
415 HA GLU 54 HA GLU 54 -8.199 -2.668 3.132
416 HB2 GLU 54 2HB GLU 54 -10.104 -0.973 2.952
417 HB3 GLU 54 1HB GLU 54 -8.675 -0.438 3.786
418 HG2 GLU 54 2HG GLU 54 -8.089 0.950 2.069
419 HG3 GLU 54 1HG GLU 54 -9.097 0.104 0.897
420 H GLU 55 H GLU 55 -8.132 -1.431 -0.184
421 HA GLU 55 HA GLU 55 -10.351 -3.071 -1.013
422 HB2 GLU 55 2HB GLU 55 -8.313 -1.622 -2.704
423 HB3 GLU 55 1HB GLU 55 -9.810 -2.342 -3.280
424 HG2 GLU 55 2HG GLU 55 -10.951 -0.763 -1.591
425 HG3 GLU 55 1HG GLU 55 -9.414 0.104 -1.619
426 H TRP 56 H TRP 56 -6.813 -3.169 -1.550
427 HA TRP 56 HA TRP 56 -6.833 -5.418 -3.197
428 HB2 TRP 56 2HB TRP 56 -4.959 -4.174 -3.371
429 HB3 TRP 56 1HB TRP 56 -4.740 -4.097 -1.640
430 HD1 TRP 56 HD TRP 56 -4.069 -6.666 -4.306
431 HE1 TRP 56 1HE TRP 56 -2.294 -8.308 -3.459
432 HE3 TRP 56 3HE TRP 56 -3.507 -4.336 -0.614
433 HZ2 TRP 56 2HZ TRP 56 -0.640 -8.269 -1.167
434 HZ3 TRP 56 3HZ TRP 56 -1.780 -4.729 0.467
435 HH2 TRP 56 HH TRP 56 -0.311 -6.666 0.625
436 H CYS 57 H CYS 57 -7.181 -5.099 0.077
437 HA CYS 57 HA CYS 57 -6.217 -7.535 1.098
438 HB2 CYS 57 2HB CYS 57 -6.736 -5.659 2.564
439 HB3 CYS 57 1HB CYS 57 -8.436 -5.738 2.110
440 HG CYS 57 HG CYS 57 -8.212 -8.618 3.142
441 H GLY 58 H GLY 58 -9.484 -6.508 0.160
442 HA2 GLY 58 2HA GLY 58 -10.213 -9.349 -0.187
443 HA3 GLY 58 1HA GLY 58 -11.367 -8.061 0.167
444 H GLU 59 H GLU 59 -8.686 -8.301 -2.106
445 HA GLU 59 HA GLU 59 -10.434 -7.150 -4.157
446 HB2 GLU 59 2HB GLU 59 -8.025 -6.276 -3.214
447 HB3 GLU 59 1HB GLU 59 -7.505 -7.287 -4.574
448 HG2 GLU 59 2HG GLU 59 -9.350 -4.912 -4.691
449 HG3 GLU 59 1HG GLU 59 -7.710 -5.028 -5.325
Start of MODEL 12
1 H1 ASP 5 H ASP 5 -7.227 7.190 -8.441
2 HA ASP 5 HA ASP 5 -10.170 7.357 -8.431
3 HB2 ASP 5 2HB ASP 5 -8.292 8.238 -10.635
4 HB3 ASP 5 1HB ASP 5 -9.999 7.921 -10.913
5 H ILE 6 H ILE 6 -9.335 5.299 -7.635
6 HA ILE 6 HA ILE 6 -8.468 3.181 -7.845
7 HB ILE 6 HB ILE 6 -10.056 1.703 -8.963
8 HG12 ILE 6 2HG1 ILE 6 -11.602 4.256 -9.496
9 HG13 ILE 6 1HG1 ILE 6 -10.870 3.231 -10.726
10 HG21 ILE 6 1HG2 ILE 6 -11.151 3.724 -7.012
11 HG22 ILE 6 2HG2 ILE 6 -10.263 2.250 -6.624
12 HG23 ILE 6 3HG2 ILE 6 -11.873 2.148 -7.337
13 HD11 ILE 6 3HD1 ILE 6 -13.111 2.447 -8.876
14 HD12 ILE 6 1HD1 ILE 6 -12.378 1.415 -10.105
15 HD13 ILE 6 2HD1 ILE 6 -13.263 2.864 -10.583
16 H ASP 7 H ASP 7 -6.600 3.248 -8.818
17 HA ASP 7 HA ASP 7 -6.286 1.815 -11.099
18 HB2 ASP 7 2HB ASP 7 -6.835 3.805 -12.343
19 HB3 ASP 7 1HB ASP 7 -5.533 4.616 -11.475
20 H GLU 8 H GLU 8 -5.124 3.960 -9.590
21 HA GLU 8 HA GLU 8 -2.307 3.255 -9.431
22 HB2 GLU 8 2HB GLU 8 -1.974 5.215 -8.091
23 HB3 GLU 8 1HB GLU 8 -3.104 5.641 -9.369
24 HG2 GLU 8 2HG GLU 8 -3.849 4.975 -6.526
25 HG3 GLU 8 1HG GLU 8 -3.734 6.599 -7.208
26 H ARG 9 H ARG 9 -5.139 2.838 -7.541
27 HA ARG 9 HA ARG 9 -4.175 2.056 -5.091
28 HB2 ARG 9 2HB ARG 9 -6.248 0.774 -4.886
29 HB3 ARG 9 1HB ARG 9 -6.550 2.296 -5.697
30 HG2 ARG 9 2HG ARG 9 -6.598 1.151 -7.856
31 HG3 ARG 9 1HG ARG 9 -6.305 -0.379 -7.040
32 HD2 ARG 9 2HD ARG 9 -8.415 -0.068 -5.789
33 HD3 ARG 9 1HD ARG 9 -8.722 1.399 -6.708
34 HE ARG 9 HE ARG 9 -8.530 -0.275 -8.694
35 HH11 ARG 9 1HH1 ARG 9 -10.121 -0.824 -5.602
36 HH12 ARG 9 2HH1 ARG 9 -11.168 -2.055 -6.228
37 HH21 ARG 9 1HH2 ARG 9 -9.909 -1.902 -9.496
38 HH22 ARG 9 2HH2 ARG 9 -11.040 -2.677 -8.427
39 H ASN 10 H ASN 10 -4.610 0.073 -7.977
40 HA ASN 10 HA ASN 10 -3.819 -2.414 -6.835
41 HB2 ASN 10 2HB ASN 10 -3.722 -1.497 -9.743
42 HB3 ASN 10 1HB ASN 10 -3.559 -3.164 -9.198
43 HD21 ASN 10 1HD2 ASN 10 -5.728 -0.501 -9.671
44 HD22 ASN 10 2HD2 ASN 10 -7.195 -1.385 -9.404
45 H ILE 11 H ILE 11 -1.988 0.281 -7.958
46 HA ILE 11 HA ILE 11 0.456 -1.015 -8.410
47 HB ILE 11 HB ILE 11 -0.026 1.752 -7.282
48 HG12 ILE 11 2HG1 ILE 11 -1.050 1.461 -9.484
49 HG13 ILE 11 1HG1 ILE 11 0.350 2.524 -9.594
50 HG21 ILE 11 1HG2 ILE 11 2.235 0.995 -6.812
51 HG22 ILE 11 2HG2 ILE 11 2.249 2.261 -8.040
52 HG23 ILE 11 3HG2 ILE 11 2.464 0.575 -8.509
53 HD11 ILE 11 3HD1 ILE 11 0.257 0.983 -11.465
54 HD12 ILE 11 1HD1 ILE 11 0.278 -0.388 -10.354
55 HD13 ILE 11 2HD1 ILE 11 1.680 0.676 -10.469
56 H PHE 12 H PHE 12 -1.115 0.163 -5.436
57 HA PHE 12 HA PHE 12 1.255 -0.386 -3.912
58 HB2 PHE 12 2HB PHE 12 -1.373 0.818 -3.343
59 HB3 PHE 12 1HB PHE 12 -0.565 0.031 -1.984
60 HD1 PHE 12 1HD PHE 12 0.711 2.018 -4.892
61 HD2 PHE 12 2HD PHE 12 0.409 1.683 -0.641
62 HE1 PHE 12 1HE PHE 12 2.182 3.965 -4.621
63 HE2 PHE 12 2HE PHE 12 1.880 3.628 -0.388
64 HZ PHE 12 HZ PHE 12 2.766 4.772 -2.376
65 H PHE 13 H PHE 13 -2.036 -1.928 -3.777
66 HA PHE 13 HA PHE 13 -1.864 -4.488 -2.436
67 HB2 PHE 13 2HB PHE 13 -2.207 -4.429 -5.115
68 HB3 PHE 13 1HB PHE 13 -3.117 -5.137 -4.029
69 HD1 PHE 13 1HD PHE 13 -3.310 -1.955 -2.911
70 HD2 PHE 13 2HD PHE 13 -4.548 -4.374 -6.183
71 HE1 PHE 13 1HE PHE 13 -5.340 -0.600 -3.161
72 HE2 PHE 13 2HE PHE 13 -6.554 -2.997 -6.450
73 HZ PHE 13 HZ PHE 13 -6.952 -1.120 -4.935
74 H GLU 14 H GLU 14 -0.419 -3.560 -5.677
75 HA GLU 14 HA GLU 14 0.783 -6.091 -6.110
76 HB2 GLU 14 2HB GLU 14 0.234 -4.151 -7.773
77 HB3 GLU 14 1HB GLU 14 1.826 -3.553 -7.337
78 HG2 GLU 14 2HG GLU 14 1.629 -6.385 -8.166
79 HG3 GLU 14 1HG GLU 14 1.392 -5.160 -9.408
80 H LEU 15 H LEU 15 2.127 -2.966 -5.092
81 HA LEU 15 HA LEU 15 4.673 -3.893 -4.297
82 HB2 LEU 15 2HB LEU 15 3.220 -1.748 -2.787
83 HB3 LEU 15 1HB LEU 15 4.921 -1.860 -3.157
84 HG LEU 15 HG LEU 15 2.733 -1.196 -5.092
85 HD11 LEU 15 1HD1 LEU 15 3.747 1.026 -5.124
86 HD12 LEU 15 2HD1 LEU 15 4.878 0.521 -3.869
87 HD13 LEU 15 3HD1 LEU 15 3.151 0.592 -3.523
88 HD21 LEU 15 3HD2 LEU 15 4.537 -2.395 -6.196
89 HD22 LEU 15 1HD2 LEU 15 5.721 -1.293 -5.493
90 HD23 LEU 15 2HD2 LEU 15 4.548 -0.695 -6.667
91 H PHE 16 H PHE 16 1.452 -4.107 -2.882
92 HA PHE 16 HA PHE 16 2.357 -4.249 -0.200
93 HB2 PHE 16 2HB PHE 16 -0.062 -4.350 -1.829
94 HB3 PHE 16 1HB PHE 16 -0.192 -4.880 -0.200
95 HD1 PHE 16 1HD PHE 16 2.001 -2.249 0.042
96 HD2 PHE 16 2HD PHE 16 -2.162 -2.996 -0.887
97 HE1 PHE 16 1HE PHE 16 1.406 0.043 0.723
98 HE2 PHE 16 2HE PHE 16 -2.682 -0.723 -0.191
99 HZ PHE 16 HZ PHE 16 -0.947 0.791 0.592
100 H ASP 17 H ASP 17 1.625 -6.332 -2.826
101 HA ASP 17 HA ASP 17 1.645 -8.791 -1.337
102 HB2 ASP 17 2HB ASP 17 0.453 -8.423 -3.535
103 HB3 ASP 17 1HB ASP 17 2.026 -8.389 -4.309
104 H ARG 18 H ARG 18 3.835 -7.094 -3.514
105 HA ARG 18 HA ARG 18 5.956 -8.933 -3.393
106 HB2 ARG 18 2HB ARG 18 5.777 -7.147 -5.088
107 HB3 ARG 18 1HB ARG 18 6.107 -5.948 -3.845
108 HG2 ARG 18 2HG ARG 18 8.326 -6.702 -3.566
109 HG3 ARG 18 1HG ARG 18 8.023 -8.168 -4.498
110 HD2 ARG 18 2HD ARG 18 9.282 -6.591 -5.827
111 HD3 ARG 18 1HD ARG 18 7.668 -6.798 -6.503
112 HE ARG 18 HE ARG 18 8.260 -4.498 -4.769
113 HH11 ARG 18 1HH1 ARG 18 7.247 -5.830 -7.835
114 HH12 ARG 18 2HH1 ARG 18 6.822 -4.289 -8.514
115 HH21 ARG 18 1HH2 ARG 18 7.722 -2.444 -5.658
116 HH22 ARG 18 2HH2 ARG 18 7.108 -2.379 -7.288
117 H TYR 19 H TYR 19 4.857 -6.586 -1.130
118 HA TYR 19 HA TYR 19 7.258 -7.035 0.509
119 HB2 TYR 19 2HB TYR 19 5.224 -4.816 0.479
120 HB3 TYR 19 1HB TYR 19 6.205 -5.112 1.911
121 HD1 TYR 19 2HD TYR 19 6.929 -5.061 -1.766
122 HD2 TYR 19 1HD TYR 19 7.915 -3.546 2.089
123 HE1 TYR 19 2HE TYR 19 8.773 -3.773 -2.748
124 HE2 TYR 19 1HE TYR 19 9.766 -2.264 1.113
125 HH TYR 19 HH TYR 19 10.067 -1.637 -2.124
126 H LYS 20 H LYS 20 4.513 -8.441 -0.058
127 HA LYS 20 HA LYS 20 3.002 -9.744 1.018
128 HB2 LYS 20 2HB LYS 20 5.440 -10.168 2.712
129 HB3 LYS 20 1HB LYS 20 4.006 -11.174 2.800
130 HG2 LYS 20 2HG LYS 20 5.762 -10.819 0.379
131 HG3 LYS 20 1HG LYS 20 5.746 -12.218 1.453
132 HD2 LYS 20 2HD LYS 20 3.423 -11.254 -0.220
133 HD3 LYS 20 1HD LYS 20 4.463 -12.625 -0.601
134 HE2 LYS 20 2HE LYS 20 2.707 -12.376 1.841
135 HE3 LYS 20 1HE LYS 20 2.332 -13.325 0.405
136 HZ1 LYS 20 3HZ LYS 20 4.544 -13.778 2.331
137 HZ2 LYS 20 1HZ LYS 20 4.405 -14.601 0.853
138 HZ3 LYS 20 2HZ LYS 20 3.210 -14.782 2.043
139 H LEU 21 H LEU 21 1.959 -7.599 1.683
140 HA LEU 21 HA LEU 21 2.137 -7.079 4.506
141 HB2 LEU 21 2HB LEU 21 0.296 -5.992 2.402
142 HB3 LEU 21 1HB LEU 21 0.191 -5.545 4.087
143 HG LEU 21 HG LEU 21 2.349 -5.032 2.187
144 HD11 LEU 21 1HD1 LEU 21 2.039 -2.691 2.809
145 HD12 LEU 21 2HD1 LEU 21 0.717 -3.198 3.863
146 HD13 LEU 21 3HD1 LEU 21 0.588 -3.421 2.118
147 HD21 LEU 21 3HD2 LEU 21 3.693 -4.043 3.972
148 HD22 LEU 21 1HD2 LEU 21 3.479 -5.785 4.147
149 HD23 LEU 21 2HD2 LEU 21 2.524 -4.676 5.132
150 H ASP 22 H ASP 22 0.792 -7.499 5.975
151 HA ASP 22 HA ASP 22 -1.253 -9.521 5.522
152 HB2 ASP 22 2HB ASP 22 -0.518 -8.053 8.085
153 HB3 ASP 22 1HB ASP 22 -1.609 -9.430 7.968
154 H LYS 23 H LYS 23 -2.604 -8.636 4.274
155 HA LYS 23 HA LYS 23 -3.106 -5.876 4.160
156 HB2 LYS 23 2HB LYS 23 -3.684 -8.034 2.563
157 HB3 LYS 23 1HB LYS 23 -5.267 -7.395 3.012
158 HG2 LYS 23 2HG LYS 23 -3.140 -6.195 1.330
159 HG3 LYS 23 1HG LYS 23 -4.909 -5.978 1.302
160 HD2 LYS 23 2HD LYS 23 -4.268 -3.906 2.000
161 HD3 LYS 23 1HD LYS 23 -4.384 -4.698 3.573
162 HE2 LYS 23 2HE LYS 23 -1.782 -5.166 2.446
163 HE3 LYS 23 1HE LYS 23 -2.137 -3.435 2.424
164 HZ1 LYS 23 3HZ LYS 23 -2.673 -3.570 4.804
165 HZ2 LYS 23 1HZ LYS 23 -1.076 -4.031 4.487
166 HZ3 LYS 23 2HZ LYS 23 -2.246 -5.206 4.811
167 H PHE 24 H PHE 24 -4.636 -8.384 6.021
168 HA PHE 24 HA PHE 24 -6.979 -6.745 6.605
169 HB2 PHE 24 2HB PHE 24 -7.804 -8.817 7.731
170 HB3 PHE 24 1HB PHE 24 -7.436 -9.035 6.023
171 HD1 PHE 24 1HD PHE 24 -6.402 -9.830 9.445
172 HD2 PHE 24 2HD PHE 24 -5.602 -10.422 5.309
173 HE1 PHE 24 1HE PHE 24 -4.911 -11.703 10.005
174 HE2 PHE 24 2HE PHE 24 -4.110 -12.298 5.864
175 HZ PHE 24 HZ PHE 24 -3.763 -12.939 8.214
176 H SER 25 H SER 25 -3.938 -7.353 7.988
177 HA SER 25 HA SER 25 -4.716 -7.666 10.709
178 HB2 SER 25 2HB SER 25 -2.536 -8.480 9.823
179 HB3 SER 25 1HB SER 25 -2.021 -6.815 9.613
180 HG SER 25 HG SER 25 -1.584 -8.163 11.704
181 H THR 26 H THR 26 -2.716 -5.042 9.413
182 HA THR 26 HA THR 26 -4.412 -2.941 10.557
183 HB THR 26 HB THR 26 -1.931 -2.080 11.352
184 HG1 THR 26 1HG THR 26 -2.098 -4.879 11.650
185 HG21 THR 26 3HG2 THR 26 -2.760 -2.395 13.647
186 HG22 THR 26 1HG2 THR 26 -4.008 -3.488 13.052
187 HG23 THR 26 2HG2 THR 26 -4.027 -1.788 12.584
188 H TRP 27 H TRP 27 -3.846 -0.997 9.883
189 HA TRP 27 HA TRP 27 -2.874 -1.001 7.208
190 HB2 TRP 27 2HB TRP 27 -4.193 0.875 7.751
191 HB3 TRP 27 1HB TRP 27 -3.295 1.184 9.234
192 HD1 TRP 27 HD TRP 27 -2.021 3.429 8.852
193 HE1 TRP 27 1HE TRP 27 -0.718 4.576 7.080
194 HE3 TRP 27 3HE TRP 27 -2.662 -0.030 5.266
195 HZ2 TRP 27 2HZ TRP 27 -0.108 4.163 4.485
196 HZ3 TRP 27 3HZ TRP 27 -1.743 0.543 3.056
197 HH2 TRP 27 HH TRP 27 -0.631 2.679 2.821
198 H SER 28 H SER 28 -1.417 0.159 10.249
199 HA SER 28 HA SER 28 0.949 0.489 8.778
200 HB2 SER 28 2HB SER 28 1.971 1.035 10.861
201 HB3 SER 28 1HB SER 28 1.076 2.173 9.955
202 HG SER 28 HG SER 28 -0.585 2.067 11.432
203 H LEU 29 H LEU 29 0.073 -2.103 10.935
204 HA LEU 29 HA LEU 29 2.681 -2.887 11.523
205 HB2 LEU 29 2HB LEU 29 0.369 -4.101 11.960
206 HB3 LEU 29 1HB LEU 29 0.744 -4.921 10.460
207 HG LEU 29 HG LEU 29 2.607 -4.934 12.832
208 HD11 LEU 29 1HD1 LEU 29 0.505 -6.960 12.080
209 HD12 LEU 29 2HD1 LEU 29 0.482 -5.912 13.498
210 HD13 LEU 29 3HD1 LEU 29 1.724 -7.154 13.341
211 HD21 LEU 29 3HD2 LEU 29 3.631 -5.484 10.681
212 HD22 LEU 29 1HD2 LEU 29 2.401 -6.717 10.407
213 HD23 LEU 29 2HD2 LEU 29 3.551 -6.899 11.731
214 H GLN 30 H GLN 30 0.841 -2.694 8.709
215 HA GLN 30 HA GLN 30 2.795 -3.974 6.971
216 HB2 GLN 30 2HB GLN 30 0.107 -2.758 6.303
217 HB3 GLN 30 1HB GLN 30 1.186 -3.572 5.138
218 HG2 GLN 30 2HG GLN 30 -0.827 -4.866 6.166
219 HG3 GLN 30 1HG GLN 30 0.713 -5.655 5.961
220 HE21 GLN 30 1HE2 GLN 30 1.789 -6.448 7.707
221 HE22 GLN 30 2HE2 GLN 30 1.126 -6.462 9.296
222 H SER 31 H SER 31 1.282 -0.762 7.339
223 HA SER 31 HA SER 31 3.096 0.525 5.613
224 HB2 SER 31 2HB SER 31 2.127 2.671 6.438
225 HB3 SER 31 1HB SER 31 1.109 1.563 5.514
226 HG SER 31 HG SER 31 0.182 2.452 7.481
227 H LYS 32 H LYS 32 3.575 -0.104 8.950
228 HA LYS 32 HA LYS 32 5.515 2.029 9.185
229 HB2 LYS 32 2HB LYS 32 6.176 1.051 11.289
230 HB3 LYS 32 1HB LYS 32 4.425 1.056 11.217
231 HG2 LYS 32 2HG LYS 32 4.926 -0.997 12.155
232 HG3 LYS 32 1HG LYS 32 4.642 -1.387 10.463
233 HD2 LYS 32 2HD LYS 32 6.568 -2.603 11.256
234 HD3 LYS 32 1HD LYS 32 7.088 -1.393 10.087
235 HE2 LYS 32 2HE LYS 32 7.176 -0.921 13.057
236 HE3 LYS 32 1HE LYS 32 8.508 -1.664 12.178
237 HZ1 LYS 32 3HZ LYS 32 8.409 0.403 10.720
238 HZ2 LYS 32 1HZ LYS 32 9.034 0.591 12.286
239 HZ3 LYS 32 2HZ LYS 32 7.454 1.090 11.942
240 H LYS 33 H LYS 33 5.127 -0.731 7.590
241 HA LYS 33 HA LYS 33 7.938 -1.601 7.525
242 HB2 LYS 33 2HB LYS 33 5.580 -2.567 5.901
243 HB3 LYS 33 1HB LYS 33 7.188 -3.268 5.859
244 HG2 LYS 33 2HG LYS 33 5.834 -3.083 8.485
245 HG3 LYS 33 1HG LYS 33 5.239 -4.271 7.325
246 HD2 LYS 33 2HD LYS 33 7.594 -5.101 7.110
247 HD3 LYS 33 1HD LYS 33 8.019 -4.040 8.458
248 HE2 LYS 33 2HE LYS 33 6.479 -5.187 9.910
249 HE3 LYS 33 1HE LYS 33 5.878 -6.159 8.568
250 HZ1 LYS 33 3HZ LYS 33 8.041 -7.205 8.386
251 HZ2 LYS 33 1HZ LYS 33 7.426 -7.385 9.956
252 HZ3 LYS 33 2HZ LYS 33 8.644 -6.246 9.651
253 H ILE 34 H ILE 34 5.647 -0.775 4.920
254 HA ILE 34 HA ILE 34 7.579 -0.430 2.944
255 HB ILE 34 HB ILE 34 5.751 1.005 1.788
256 HG12 ILE 34 2HG1 ILE 34 3.554 0.960 2.614
257 HG13 ILE 34 1HG1 ILE 34 3.883 -0.349 3.741
258 HG21 ILE 34 1HG2 ILE 34 4.562 -1.037 1.141
259 HG22 ILE 34 2HG2 ILE 34 5.319 -1.888 2.489
260 HG23 ILE 34 3HG2 ILE 34 6.312 -1.255 1.176
261 HD11 ILE 34 3HD1 ILE 34 4.724 2.513 3.925
262 HD12 ILE 34 1HD1 ILE 34 5.089 1.255 5.107
263 HD13 ILE 34 2HD1 ILE 34 3.415 1.734 4.815
264 H GLU 35 H GLU 35 6.232 1.923 5.124
265 HA GLU 35 HA GLU 35 7.068 4.295 4.433
266 HB2 GLU 35 2HB GLU 35 6.637 3.032 6.919
267 HB3 GLU 35 1HB GLU 35 8.112 3.983 7.066
268 HG2 GLU 35 2HG GLU 35 6.907 5.938 6.192
269 HG3 GLU 35 1HG GLU 35 5.437 4.980 6.131
270 H ASN 36 H ASN 36 8.592 5.042 3.550
271 HA ASN 36 HA ASN 36 10.671 5.970 3.227
272 HB2 ASN 36 2HB ASN 36 11.195 5.429 5.636
273 HB3 ASN 36 1HB ASN 36 11.868 3.902 5.077
274 HD21 ASN 36 1HD2 ASN 36 12.224 7.375 5.043
275 HD22 ASN 36 2HD2 ASN 36 13.888 7.400 4.575
276 H ASP 37 H ASP 37 9.578 2.966 2.479
277 HA ASP 37 HA ASP 37 11.784 2.342 0.675
278 HB2 ASP 37 2HB ASP 37 9.080 1.030 1.064
279 HB3 ASP 37 1HB ASP 37 10.272 0.483 -0.105
280 HA PRO 38 HA PRO 38 10.446 4.894 -2.637
281 HB2 PRO 38 2HB PRO 38 11.038 2.585 -4.416
282 HB3 PRO 38 1HB PRO 38 11.655 4.240 -4.474
283 HG2 PRO 38 2HG PRO 38 13.191 2.249 -3.604
284 HG3 PRO 38 1HG PRO 38 13.243 3.844 -2.830
285 HD2 PRO 38 2HD PRO 38 11.925 1.327 -1.902
286 HD3 PRO 38 1HD PRO 38 12.782 2.564 -0.962
287 H ASP 39 H ASP 39 9.201 1.634 -2.410
288 HA ASP 39 HA ASP 39 7.200 1.761 -4.373
289 HB2 ASP 39 2HB ASP 39 7.257 0.166 -1.799
290 HB3 ASP 39 1HB ASP 39 6.185 -0.137 -3.162
291 H PHE 40 H PHE 40 7.073 2.447 -0.899
292 HA PHE 40 HA PHE 40 4.275 2.971 -0.845
293 HB2 PHE 40 2HB PHE 40 5.638 2.203 1.078
294 HB3 PHE 40 1HB PHE 40 6.437 3.759 1.112
295 HD1 PHE 40 1HD PHE 40 2.871 2.428 1.288
296 HD2 PHE 40 2HD PHE 40 5.790 5.194 2.712
297 HE1 PHE 40 1HE PHE 40 1.317 3.188 2.970
298 HE2 PHE 40 2HE PHE 40 4.201 5.949 4.419
299 HZ PHE 40 HZ PHE 40 1.981 4.906 4.547
300 H TYR 41 H TYR 41 6.894 4.779 -1.981
301 HA TYR 41 HA TYR 41 5.612 7.356 -1.483
302 HB2 TYR 41 2HB TYR 41 8.275 6.631 -2.708
303 HB3 TYR 41 1HB TYR 41 7.655 8.276 -2.655
304 HD1 TYR 41 1HD TYR 41 6.688 8.809 -0.113
305 HD2 TYR 41 2HD TYR 41 9.894 6.207 -1.141
306 HE1 TYR 41 1HE TYR 41 7.643 9.107 2.131
307 HE2 TYR 41 2HE TYR 41 10.854 6.497 1.102
308 HH TYR 41 HH TYR 41 9.130 7.952 3.666
309 H LYS 42 H LYS 42 5.096 4.998 -3.636
310 HA LYS 42 HA LYS 42 5.240 6.283 -6.138
311 HB2 LYS 42 2HB LYS 42 3.671 3.948 -5.106
312 HB3 LYS 42 1HB LYS 42 3.366 4.567 -6.723
313 HG2 LYS 42 2HG LYS 42 6.030 3.606 -5.693
314 HG3 LYS 42 1HG LYS 42 4.933 2.687 -6.728
315 HD2 LYS 42 2HD LYS 42 5.138 4.412 -8.461
316 HD3 LYS 42 1HD LYS 42 6.248 5.313 -7.427
317 HE2 LYS 42 2HE LYS 42 7.817 3.447 -7.472
318 HE3 LYS 42 1HE LYS 42 6.701 2.523 -8.478
319 HZ1 LYS 42 3HZ LYS 42 8.419 3.525 -9.816
320 HZ2 LYS 42 1HZ LYS 42 8.028 5.070 -9.234
321 HZ3 LYS 42 2HZ LYS 42 6.919 4.224 -10.197
322 H ILE 43 H ILE 43 2.575 6.054 -3.798
323 HA ILE 43 HA ILE 43 0.970 7.831 -5.449
324 HB ILE 43 HB ILE 43 0.334 6.533 -2.792
325 HG12 ILE 43 2HG1 ILE 43 0.409 4.908 -4.568
326 HG13 ILE 43 1HG1 ILE 43 -1.277 5.220 -4.178
327 HG21 ILE 43 1HG2 ILE 43 -0.852 8.650 -3.001
328 HG22 ILE 43 2HG2 ILE 43 -1.968 7.294 -3.155
329 HG23 ILE 43 3HG2 ILE 43 -1.447 8.175 -4.592
330 HD11 ILE 43 3HD1 ILE 43 -0.946 5.058 -6.573
331 HD12 ILE 43 1HD1 ILE 43 0.239 6.363 -6.511
332 HD13 ILE 43 2HD1 ILE 43 -1.450 6.687 -6.121
333 H ARG 44 H ARG 44 0.730 9.920 -5.129
334 HA ARG 44 HA ARG 44 2.540 11.412 -3.626
335 HB2 ARG 44 2HB ARG 44 -0.171 12.254 -4.667
336 HB3 ARG 44 1HB ARG 44 1.127 13.337 -4.197
337 HG2 ARG 44 2HG ARG 44 1.341 11.333 -6.430
338 HG3 ARG 44 1HG ARG 44 0.870 13.018 -6.650
339 HD2 ARG 44 2HD ARG 44 3.470 12.090 -5.440
340 HD3 ARG 44 1HD ARG 44 3.261 12.614 -7.112
341 HE ARG 44 HE ARG 44 2.678 14.415 -4.846
342 HH11 ARG 44 1HH1 ARG 44 4.230 13.747 -7.917
343 HH12 ARG 44 2HH1 ARG 44 4.938 15.335 -8.047
344 HH21 ARG 44 1HH2 ARG 44 3.581 16.510 -5.032
345 HH22 ARG 44 2HH2 ARG 44 4.565 16.896 -6.412
346 H ASP 45 H ASP 45 -0.809 10.521 -2.961
347 HA ASP 45 HA ASP 45 -0.747 11.937 -0.420
348 HB2 ASP 45 2HB ASP 45 -2.984 10.525 -1.878
349 HB3 ASP 45 1HB ASP 45 -3.168 11.310 -0.314
350 H ASP 46 H ASP 46 -0.258 10.981 1.391
351 HA ASP 46 HA ASP 46 -0.034 8.101 1.654
352 HB2 ASP 46 2HB ASP 46 1.505 9.710 2.805
353 HB3 ASP 46 1HB ASP 46 0.149 10.289 3.763
354 H THR 47 H THR 47 -2.378 10.554 2.210
355 HA THR 47 HA THR 47 -4.057 9.096 3.995
356 HB THR 47 HB THR 47 -5.787 10.818 3.016
357 HG1 THR 47 1HG THR 47 -4.877 11.840 1.368
358 HG21 THR 47 3HG2 THR 47 -4.925 12.536 4.545
359 HG22 THR 47 1HG2 THR 47 -3.384 11.684 4.629
360 HG23 THR 47 2HG2 THR 47 -4.843 10.930 5.270
361 H VAL 48 H VAL 48 -3.275 8.558 0.832
362 HA VAL 48 HA VAL 48 -5.843 7.237 0.278
363 HB VAL 48 HB VAL 48 -3.644 7.999 -1.663
364 HG11 VAL 48 1HG1 VAL 48 -6.343 6.754 -2.184
365 HG12 VAL 48 2HG1 VAL 48 -4.780 5.959 -2.366
366 HG13 VAL 48 3HG1 VAL 48 -5.210 7.308 -3.418
367 HG21 VAL 48 3HG2 VAL 48 -5.283 9.595 -2.547
368 HG22 VAL 48 1HG2 VAL 48 -4.886 9.933 -0.863
369 HG23 VAL 48 2HG2 VAL 48 -6.409 9.140 -1.268
370 H ARG 49 H ARG 49 -2.495 6.778 0.915
371 HA ARG 49 HA ARG 49 -1.936 4.328 -0.308
372 HB2 ARG 49 2HB ARG 49 -0.910 5.551 2.253
373 HB3 ARG 49 1HB ARG 49 -0.213 4.120 1.559
374 HG2 ARG 49 2HG ARG 49 0.335 5.338 -0.458
375 HG3 ARG 49 1HG ARG 49 -0.451 6.741 0.224
376 HD2 ARG 49 2HD ARG 49 1.218 6.714 2.073
377 HD3 ARG 49 1HD ARG 49 2.056 5.432 1.200
378 HE ARG 49 HE ARG 49 1.879 7.347 -0.669
379 HH11 ARG 49 1HH1 ARG 49 2.901 7.532 2.677
380 HH12 ARG 49 2HH1 ARG 49 4.098 8.753 2.361
381 HH21 ARG 49 1HH2 ARG 49 3.432 8.977 -1.067
382 HH22 ARG 49 2HH2 ARG 49 4.398 9.577 0.254
383 H GLU 50 H GLU 50 -3.141 4.959 2.964
384 HA GLU 50 HA GLU 50 -3.548 2.145 3.334
385 HB2 GLU 50 2HB GLU 50 -4.798 3.219 5.345
386 HB3 GLU 50 1HB GLU 50 -3.186 2.758 5.386
387 HG2 GLU 50 2HG GLU 50 -3.616 4.765 6.352
388 HG3 GLU 50 1HG GLU 50 -2.445 4.926 5.193
389 H SER 51 H SER 51 -5.446 4.662 2.111
390 HA SER 51 HA SER 51 -7.851 3.076 2.282
391 HB2 SER 51 2HB SER 51 -7.150 5.167 0.193
392 HB3 SER 51 1HB SER 51 -8.764 4.565 0.573
393 HG SER 51 HG SER 51 -7.529 5.475 2.800
394 H LEU 52 H LEU 52 -4.982 2.579 0.726
395 HA LEU 52 HA LEU 52 -5.912 1.512 -1.650
396 HB2 LEU 52 2HB LEU 52 -3.269 1.408 -0.416
397 HB3 LEU 52 1HB LEU 52 -3.597 0.756 -1.971
398 HG LEU 52 HG LEU 52 -3.802 3.649 -1.175
399 HD11 LEU 52 1HD1 LEU 52 -2.145 2.319 -3.288
400 HD12 LEU 52 2HD1 LEU 52 -1.567 2.937 -1.740
401 HD13 LEU 52 3HD1 LEU 52 -2.210 4.048 -2.951
402 HD21 LEU 52 3HD2 LEU 52 -4.668 2.405 -3.772
403 HD22 LEU 52 1HD2 LEU 52 -4.567 4.134 -3.443
404 HD23 LEU 52 2HD2 LEU 52 -5.716 3.132 -2.554
405 H PHE 53 H PHE 53 -5.049 0.381 1.082
406 HA PHE 53 HA PHE 53 -4.279 -2.190 0.274
407 HB2 PHE 53 2HB PHE 53 -3.102 -1.448 1.980
408 HB3 PHE 53 1HB PHE 53 -4.066 0.043 1.701
409 HD1 PHE 53 2HD PHE 53 -6.035 0.328 3.080
410 HD2 PHE 53 1HD PHE 53 -3.180 -2.615 4.039
411 HE1 PHE 53 2HE PHE 53 -6.930 0.230 5.397
412 HE2 PHE 53 1HE PHE 53 -4.031 -2.743 6.350
413 HZ PHE 53 HZ PHE 53 -5.920 -1.312 7.035
414 H GLU 54 H GLU 54 -6.849 -0.572 1.894
415 HA GLU 54 HA GLU 54 -8.443 -2.663 2.831
416 HB2 GLU 54 2HB GLU 54 -9.972 -0.545 1.476
417 HB3 GLU 54 1HB GLU 54 -10.042 -1.086 3.142
418 HG2 GLU 54 2HG GLU 54 -7.876 0.174 3.486
419 HG3 GLU 54 1HG GLU 54 -8.193 0.902 1.909
420 H GLU 55 H GLU 55 -8.071 -1.384 -0.429
421 HA GLU 55 HA GLU 55 -10.229 -2.899 -1.536
422 HB2 GLU 55 2HB GLU 55 -7.873 -1.601 -2.920
423 HB3 GLU 55 1HB GLU 55 -9.333 -2.178 -3.710
424 HG2 GLU 55 2HG GLU 55 -9.310 -0.013 -1.625
425 HG3 GLU 55 1HG GLU 55 -9.200 0.289 -3.359
426 H TRP 56 H TRP 56 -6.677 -3.271 -1.678
427 HA TRP 56 HA TRP 56 -6.711 -5.575 -3.302
428 HB2 TRP 56 2HB TRP 56 -4.815 -4.315 -3.381
429 HB3 TRP 56 1HB TRP 56 -4.684 -4.263 -1.648
430 HD1 TRP 56 HD TRP 56 -3.901 -6.839 -4.289
431 HE1 TRP 56 1HE TRP 56 -2.129 -8.455 -3.358
432 HE3 TRP 56 3HE TRP 56 -3.517 -4.424 -0.666
433 HZ2 TRP 56 2HZ TRP 56 -0.500 -8.268 -0.984
434 HZ3 TRP 56 3HZ TRP 56 -1.829 -4.698 0.486
435 HH2 TRP 56 HH TRP 56 -0.304 -6.592 0.765
436 H CYS 57 H CYS 57 -7.215 -5.052 -0.101
437 HA CYS 57 HA CYS 57 -6.386 -7.465 1.098
438 HB2 CYS 57 2HB CYS 57 -6.870 -5.427 2.406
439 HB3 CYS 57 1HB CYS 57 -8.571 -5.550 1.971
440 HG CYS 57 HG CYS 57 -8.835 -6.503 4.404
441 H GLY 58 H GLY 58 -9.515 -6.277 -0.087
442 HA2 GLY 58 2HA GLY 58 -10.446 -9.081 -0.274
443 HA3 GLY 58 1HA GLY 58 -11.518 -7.707 -0.008
444 H GLU 59 H GLU 59 -8.789 -8.016 -2.179
445 HA GLU 59 HA GLU 59 -10.457 -6.993 -4.345
446 HB2 GLU 59 2HB GLU 59 -7.900 -6.359 -3.389
447 HB3 GLU 59 1HB GLU 59 -7.606 -7.255 -4.901
448 HG2 GLU 59 2HG GLU 59 -9.076 -4.675 -4.493
449 HG3 GLU 59 1HG GLU 59 -7.696 -5.007 -5.532
Start of MODEL 13
1 H1 ASP 5 H ASP 5 -5.524 8.109 -9.727
2 HA ASP 5 HA ASP 5 -7.829 8.726 -8.219
3 HB2 ASP 5 2HB ASP 5 -7.701 10.624 -10.014
4 HB3 ASP 5 1HB ASP 5 -8.233 9.371 -11.129
5 H ILE 6 H ILE 6 -7.743 6.579 -7.879
6 HA ILE 6 HA ILE 6 -7.736 4.360 -8.184
7 HB ILE 6 HB ILE 6 -9.681 3.438 -9.377
8 HG12 ILE 6 2HG1 ILE 6 -10.401 6.340 -9.856
9 HG13 ILE 6 1HG1 ILE 6 -9.942 5.190 -11.106
10 HG21 ILE 6 1HG2 ILE 6 -10.187 5.650 -7.397
11 HG22 ILE 6 2HG2 ILE 6 -9.760 3.981 -7.029
12 HG23 ILE 6 3HG2 ILE 6 -11.315 4.350 -7.777
13 HD11 ILE 6 3HD1 ILE 6 -11.916 3.850 -10.606
14 HD12 ILE 6 1HD1 ILE 6 -12.348 5.504 -11.035
15 HD13 ILE 6 2HD1 ILE 6 -12.375 4.996 -9.347
16 H ASP 7 H ASP 7 -5.952 3.775 -9.042
17 HA ASP 7 HA ASP 7 -5.820 2.387 -11.302
18 HB2 ASP 7 2HB ASP 7 -5.992 4.340 -12.676
19 HB3 ASP 7 1HB ASP 7 -4.647 5.033 -11.777
20 H GLU 8 H GLU 8 -4.368 4.276 -9.719
21 HA GLU 8 HA GLU 8 -1.755 3.055 -9.433
22 HB2 GLU 8 2HB GLU 8 -1.123 4.924 -8.042
23 HB3 GLU 8 1HB GLU 8 -1.974 5.522 -9.456
24 HG2 GLU 8 2HG GLU 8 -3.086 5.245 -6.672
25 HG3 GLU 8 1HG GLU 8 -2.652 6.744 -7.494
26 H ARG 9 H ARG 9 -4.744 2.955 -7.772
27 HA ARG 9 HA ARG 9 -3.965 2.245 -5.203
28 HB2 ARG 9 2HB ARG 9 -6.161 1.255 -4.966
29 HB3 ARG 9 1HB ARG 9 -6.295 2.710 -5.933
30 HG2 ARG 9 2HG ARG 9 -6.286 1.238 -7.969
31 HG3 ARG 9 1HG ARG 9 -6.424 -0.133 -6.878
32 HD2 ARG 9 2HD ARG 9 -8.533 0.634 -6.057
33 HD3 ARG 9 1HD ARG 9 -8.366 2.163 -6.915
34 HE ARG 9 HE ARG 9 -8.396 0.670 -8.999
35 HH11 ARG 9 1HH1 ARG 9 -10.210 0.019 -6.057
36 HH12 ARG 9 2HH1 ARG 9 -11.459 -0.863 -6.889
37 HH21 ARG 9 1HH2 ARG 9 -10.080 -0.452 -10.081
38 HH22 ARG 9 2HH2 ARG 9 -11.419 -1.083 -9.165
39 H ASN 10 H ASN 10 -4.545 0.170 -8.002
40 HA ASN 10 HA ASN 10 -3.979 -2.318 -6.729
41 HB2 ASN 10 2HB ASN 10 -3.911 -1.466 -9.658
42 HB3 ASN 10 1HB ASN 10 -3.694 -3.131 -9.121
43 HD21 ASN 10 1HD2 ASN 10 -5.945 -0.491 -9.478
44 HD22 ASN 10 2HD2 ASN 10 -7.381 -1.411 -9.196
45 H ILE 11 H ILE 11 -1.974 0.184 -8.015
46 HA ILE 11 HA ILE 11 0.380 -1.286 -8.345
47 HB ILE 11 HB ILE 11 0.059 1.587 -7.455
48 HG12 ILE 11 2HG1 ILE 11 0.588 0.366 -10.176
49 HG13 ILE 11 1HG1 ILE 11 -0.918 1.114 -9.657
50 HG21 ILE 11 1HG2 ILE 11 2.255 0.722 -6.842
51 HG22 ILE 11 2HG2 ILE 11 2.385 1.881 -8.165
52 HG23 ILE 11 3HG2 ILE 11 2.502 0.152 -8.493
53 HD11 ILE 11 3HD1 ILE 11 1.728 2.514 -9.957
54 HD12 ILE 11 1HD1 ILE 11 0.211 3.263 -9.459
55 HD13 ILE 11 2HD1 ILE 11 0.375 2.596 -11.083
56 H PHE 12 H PHE 12 -1.044 0.254 -5.424
57 HA PHE 12 HA PHE 12 1.282 -0.334 -3.878
58 HB2 PHE 12 2HB PHE 12 -1.353 0.867 -3.328
59 HB3 PHE 12 1HB PHE 12 -0.555 0.099 -1.957
60 HD1 PHE 12 1HD PHE 12 0.910 1.966 -4.831
61 HD2 PHE 12 2HD PHE 12 0.203 1.897 -0.618
62 HE1 PHE 12 1HE PHE 12 2.289 3.975 -4.554
63 HE2 PHE 12 2HE PHE 12 1.599 3.897 -0.357
64 HZ PHE 12 HZ PHE 12 2.637 4.944 -2.323
65 H PHE 13 H PHE 13 -2.001 -1.865 -3.717
66 HA PHE 13 HA PHE 13 -1.866 -4.407 -2.340
67 HB2 PHE 13 2HB PHE 13 -2.179 -4.263 -5.028
68 HB3 PHE 13 1HB PHE 13 -3.085 -5.081 -4.018
69 HD1 PHE 13 2HD PHE 13 -3.276 -1.864 -2.820
70 HD2 PHE 13 1HD PHE 13 -4.605 -4.319 -6.028
71 HE1 PHE 13 2HE PHE 13 -5.304 -0.490 -3.058
72 HE2 PHE 13 1HE PHE 13 -6.637 -2.979 -6.231
73 HZ PHE 13 HZ PHE 13 -6.992 -1.084 -4.742
74 H GLU 14 H GLU 14 -0.488 -3.596 -5.629
75 HA GLU 14 HA GLU 14 0.686 -6.174 -5.922
76 HB2 GLU 14 2HB GLU 14 0.983 -3.595 -7.432
77 HB3 GLU 14 1HB GLU 14 2.011 -4.972 -7.800
78 HG2 GLU 14 2HG GLU 14 -0.994 -5.086 -7.809
79 HG3 GLU 14 1HG GLU 14 -0.021 -4.733 -9.236
80 H LEU 15 H LEU 15 1.973 -3.026 -4.982
81 HA LEU 15 HA LEU 15 4.599 -3.964 -4.376
82 HB2 LEU 15 2HB LEU 15 3.262 -1.734 -2.881
83 HB3 LEU 15 1HB LEU 15 4.943 -1.902 -3.318
84 HG LEU 15 HG LEU 15 2.680 -1.244 -5.157
85 HD11 LEU 15 1HD1 LEU 15 3.803 0.917 -5.381
86 HD12 LEU 15 2HD1 LEU 15 4.974 0.418 -4.158
87 HD13 LEU 15 3HD1 LEU 15 3.272 0.598 -3.729
88 HD21 LEU 15 3HD2 LEU 15 5.630 -1.514 -5.751
89 HD22 LEU 15 1HD2 LEU 15 4.411 -0.909 -6.876
90 HD23 LEU 15 2HD2 LEU 15 4.348 -2.583 -6.324
91 H PHE 16 H PHE 16 1.446 -4.083 -2.860
92 HA PHE 16 HA PHE 16 2.447 -4.300 -0.199
93 HB2 PHE 16 2HB PHE 16 -0.044 -4.313 -1.769
94 HB3 PHE 16 1HB PHE 16 -0.126 -4.844 -0.140
95 HD1 PHE 16 1HD PHE 16 2.098 -2.204 0.021
96 HD2 PHE 16 2HD PHE 16 -2.093 -2.968 -0.741
97 HE1 PHE 16 1HE PHE 16 1.504 0.088 0.733
98 HE2 PHE 16 2HE PHE 16 -2.608 -0.711 -0.028
99 HZ PHE 16 HZ PHE 16 -0.866 0.816 0.686
100 H ASP 17 H ASP 17 1.529 -6.251 -2.879
101 HA ASP 17 HA ASP 17 1.629 -8.777 -1.527
102 HB2 ASP 17 2HB ASP 17 0.309 -8.382 -3.602
103 HB3 ASP 17 1HB ASP 17 1.806 -8.140 -4.476
104 H ARG 18 H ARG 18 3.658 -6.964 -3.716
105 HA ARG 18 HA ARG 18 5.823 -8.715 -3.852
106 HB2 ARG 18 2HB ARG 18 5.461 -6.705 -5.299
107 HB3 ARG 18 1HB ARG 18 5.979 -5.697 -3.955
108 HG2 ARG 18 2HG ARG 18 8.173 -6.619 -4.011
109 HG3 ARG 18 1HG ARG 18 7.683 -7.854 -5.172
110 HD2 ARG 18 2HD ARG 18 8.861 -6.189 -6.389
111 HD3 ARG 18 1HD ARG 18 7.154 -6.001 -6.775
112 HE ARG 18 HE ARG 18 7.484 -4.240 -4.766
113 HH11 ARG 18 1HH1 ARG 18 9.238 -4.779 -7.762
114 HH12 ARG 18 2HH1 ARG 18 9.780 -3.129 -7.877
115 HH21 ARG 18 1HH2 ARG 18 8.180 -2.079 -4.934
116 HH22 ARG 18 2HH2 ARG 18 9.203 -1.606 -6.266
117 H TYR 19 H TYR 19 4.843 -6.571 -1.267
118 HA TYR 19 HA TYR 19 7.399 -7.142 0.085
119 HB2 TYR 19 2HB TYR 19 5.334 -4.993 0.485
120 HB3 TYR 19 1HB TYR 19 6.471 -5.397 1.766
121 HD1 TYR 19 2HD TYR 19 7.430 -5.547 -1.781
122 HD2 TYR 19 1HD TYR 19 7.495 -3.197 1.767
123 HE1 TYR 19 2HE TYR 19 9.108 -4.069 -2.797
124 HE2 TYR 19 1HE TYR 19 9.173 -1.718 0.761
125 HH TYR 19 HH TYR 19 9.795 -1.556 -2.445
126 H LYS 20 H LYS 20 4.420 -8.365 -0.256
127 HA LYS 20 HA LYS 20 3.059 -9.783 0.896
128 HB2 LYS 20 2HB LYS 20 5.479 -10.299 2.613
129 HB3 LYS 20 1HB LYS 20 4.122 -11.379 2.341
130 HG2 LYS 20 2HG LYS 20 4.822 -11.920 0.192
131 HG3 LYS 20 1HG LYS 20 5.871 -10.506 0.078
132 HD2 LYS 20 2HD LYS 20 6.363 -12.689 2.087
133 HD3 LYS 20 1HD LYS 20 6.986 -12.783 0.440
134 HE2 LYS 20 2HE LYS 20 8.697 -11.892 1.891
135 HE3 LYS 20 1HE LYS 20 8.152 -10.635 0.786
136 HZ1 LYS 20 3HZ LYS 20 6.761 -9.751 2.591
137 HZ2 LYS 20 1HZ LYS 20 8.406 -9.741 2.990
138 HZ3 LYS 20 2HZ LYS 20 7.382 -10.922 3.644
139 H LEU 21 H LEU 21 1.980 -7.727 1.715
140 HA LEU 21 HA LEU 21 2.689 -6.968 4.417
141 HB2 LEU 21 2HB LEU 21 0.469 -6.206 2.546
142 HB3 LEU 21 1HB LEU 21 0.593 -5.587 4.175
143 HG LEU 21 HG LEU 21 1.376 -4.187 2.218
144 HD11 LEU 21 1HD1 LEU 21 1.721 -3.533 4.505
145 HD12 LEU 21 2HD1 LEU 21 3.149 -3.142 3.546
146 HD13 LEU 21 3HD1 LEU 21 3.151 -4.555 4.599
147 HD21 LEU 21 3HD2 LEU 21 3.763 -4.346 1.676
148 HD22 LEU 21 1HD2 LEU 21 2.853 -5.744 1.109
149 HD23 LEU 21 2HD2 LEU 21 3.838 -5.866 2.567
150 H ASP 22 H ASP 22 1.131 -6.930 6.086
151 HA ASP 22 HA ASP 22 -0.824 -9.110 5.961
152 HB2 ASP 22 2HB ASP 22 0.217 -7.426 8.235
153 HB3 ASP 22 1HB ASP 22 -1.185 -8.477 8.423
154 H LYS 23 H LYS 23 -2.155 -8.338 4.620
155 HA LYS 23 HA LYS 23 -2.852 -5.607 4.349
156 HB2 LYS 23 2HB LYS 23 -3.181 -7.826 2.811
157 HB3 LYS 23 1HB LYS 23 -4.835 -7.436 3.281
158 HG2 LYS 23 2HG LYS 23 -3.062 -6.059 1.428
159 HG3 LYS 23 1HG LYS 23 -4.823 -5.887 1.681
160 HD2 LYS 23 2HD LYS 23 -4.140 -3.793 2.288
161 HD3 LYS 23 1HD LYS 23 -3.957 -4.593 3.852
162 HE2 LYS 23 2HE LYS 23 -1.552 -5.138 2.693
163 HE3 LYS 23 1HE LYS 23 -1.920 -3.562 1.995
164 HZ1 LYS 23 3HZ LYS 23 -2.287 -2.741 4.286
165 HZ2 LYS 23 1HZ LYS 23 -0.697 -3.223 3.979
166 HZ3 LYS 23 2HZ LYS 23 -1.729 -4.222 4.878
167 H PHE 24 H PHE 24 -4.211 -8.222 6.228
168 HA PHE 24 HA PHE 24 -6.629 -6.686 6.836
169 HB2 PHE 24 2HB PHE 24 -7.426 -8.863 7.821
170 HB3 PHE 24 1HB PHE 24 -7.109 -8.899 6.090
171 HD1 PHE 24 2HD PHE 24 -5.926 -10.009 9.388
172 HD2 PHE 24 1HD PHE 24 -5.345 -10.245 5.176
173 HE1 PHE 24 2HE PHE 24 -4.430 -11.936 9.704
174 HE2 PHE 24 1HE PHE 24 -3.849 -12.170 5.488
175 HZ PHE 24 HZ PHE 24 -3.388 -13.019 7.752
176 H SER 25 H SER 25 -3.631 -7.012 8.169
177 HA SER 25 HA SER 25 -4.435 -7.445 10.906
178 HB2 SER 25 2HB SER 25 -2.262 -8.276 10.182
179 HB3 SER 25 1HB SER 25 -1.762 -6.651 9.726
180 HG SER 25 HG SER 25 -1.668 -7.854 12.138
181 H THR 26 H THR 26 -2.399 -4.822 9.685
182 HA THR 26 HA THR 26 -4.203 -2.780 10.759
183 HB THR 26 HB THR 26 -1.925 -1.697 11.651
184 HG1 THR 26 1HG THR 26 -1.621 -4.512 12.124
185 HG21 THR 26 3HG2 THR 26 -3.978 -1.966 12.977
186 HG22 THR 26 1HG2 THR 26 -2.560 -2.411 13.925
187 HG23 THR 26 2HG2 THR 26 -3.599 -3.668 13.251
188 H TRP 27 H TRP 27 -3.837 -0.847 10.022
189 HA TRP 27 HA TRP 27 -2.855 -0.798 7.354
190 HB2 TRP 27 2HB TRP 27 -4.457 0.876 7.788
191 HB3 TRP 27 1HB TRP 27 -3.657 1.377 9.278
192 HD1 TRP 27 HD TRP 27 -2.630 3.742 8.828
193 HE1 TRP 27 1HE TRP 27 -1.383 4.940 7.050
194 HE3 TRP 27 3HE TRP 27 -2.886 0.136 5.361
195 HZ2 TRP 27 2HZ TRP 27 -0.670 4.491 4.480
196 HZ3 TRP 27 3HZ TRP 27 -1.965 0.707 3.153
197 HH2 TRP 27 HH TRP 27 -1.033 2.908 2.857
198 H SER 28 H SER 28 -1.632 0.549 10.414
199 HA SER 28 HA SER 28 0.602 1.432 8.957
200 HB2 SER 28 2HB SER 28 1.508 1.941 11.118
201 HB3 SER 28 1HB SER 28 0.401 2.982 10.333
202 HG SER 28 HG SER 28 -1.161 2.469 11.772
203 H LEU 29 H LEU 29 0.166 -1.402 10.982
204 HA LEU 29 HA LEU 29 2.887 -1.852 11.469
205 HB2 LEU 29 2HB LEU 29 0.875 -3.363 12.080
206 HB3 LEU 29 1HB LEU 29 1.031 -4.021 10.466
207 HG LEU 29 HG LEU 29 3.346 -4.066 12.385
208 HD11 LEU 29 1HD1 LEU 29 1.463 -5.115 13.525
209 HD12 LEU 29 2HD1 LEU 29 2.657 -6.319 13.038
210 HD13 LEU 29 3HD1 LEU 29 1.166 -6.133 12.115
211 HD21 LEU 29 3HD2 LEU 29 2.581 -5.813 10.046
212 HD22 LEU 29 1HD2 LEU 29 4.035 -5.973 11.030
213 HD23 LEU 29 2HD2 LEU 29 3.804 -4.541 10.026
214 H GLN 30 H GLN 30 0.963 -1.741 8.703
215 HA GLN 30 HA GLN 30 3.028 -2.693 6.886
216 HB2 GLN 30 2HB GLN 30 0.361 -1.464 6.176
217 HB3 GLN 30 1HB GLN 30 1.453 -2.314 5.089
218 HG2 GLN 30 2HG GLN 30 -0.475 -3.378 7.017
219 HG3 GLN 30 1HG GLN 30 0.015 -4.008 5.495
220 HE21 GLN 30 1HE2 GLN 30 -0.302 -5.176 8.232
221 HE22 GLN 30 2HE2 GLN 30 1.181 -6.023 8.517
222 H SER 31 H SER 31 1.293 0.293 7.577
223 HA SER 31 HA SER 31 2.919 1.811 5.902
224 HB2 SER 31 2HB SER 31 1.730 3.817 6.608
225 HB3 SER 31 1HB SER 31 0.773 2.543 5.865
226 HG SER 31 HG SER 31 -0.293 3.246 7.685
227 H LYS 32 H LYS 32 3.225 1.449 9.362
228 HA LYS 32 HA LYS 32 5.291 3.478 9.379
229 HB2 LYS 32 2HB LYS 32 5.847 2.724 11.614
230 HB3 LYS 32 1HB LYS 32 4.107 2.898 11.486
231 HG2 LYS 32 2HG LYS 32 3.775 0.563 11.459
232 HG3 LYS 32 1HG LYS 32 5.488 0.237 11.195
233 HD2 LYS 32 2HD LYS 32 4.274 1.479 13.663
234 HD3 LYS 32 1HD LYS 32 4.847 -0.184 13.516
235 HE2 LYS 32 2HE LYS 32 6.648 2.156 12.981
236 HE3 LYS 32 1HE LYS 32 6.398 1.544 14.615
237 HZ1 LYS 32 3HZ LYS 32 8.375 0.648 13.355
238 HZ2 LYS 32 1HZ LYS 32 7.275 -0.211 12.388
239 HZ3 LYS 32 2HZ LYS 32 7.350 -0.503 14.056
240 H LYS 33 H LYS 33 4.814 0.457 8.234
241 HA LYS 33 HA LYS 33 7.594 -0.447 8.395
242 HB2 LYS 33 2HB LYS 33 5.832 -2.110 8.537
243 HB3 LYS 33 1HB LYS 33 5.227 -1.639 6.956
244 HG2 LYS 33 2HG LYS 33 7.334 -2.411 5.948
245 HG3 LYS 33 1HG LYS 33 7.881 -2.933 7.543
246 HD2 LYS 33 2HD LYS 33 5.981 -4.460 7.700
247 HD3 LYS 33 1HD LYS 33 5.415 -3.929 6.116
248 HE2 LYS 33 2HE LYS 33 6.586 -6.035 5.912
249 HE3 LYS 33 1HE LYS 33 7.504 -4.758 5.117
250 HZ1 LYS 33 3HZ LYS 33 8.944 -4.632 7.054
251 HZ2 LYS 33 1HZ LYS 33 8.933 -6.203 6.414
252 HZ3 LYS 33 2HZ LYS 33 8.057 -5.857 7.818
253 H ILE 34 H ILE 34 5.445 0.002 5.545
254 HA ILE 34 HA ILE 34 7.458 -0.084 3.636
255 HB ILE 34 HB ILE 34 5.801 1.467 2.256
256 HG12 ILE 34 2HG1 ILE 34 3.493 1.496 2.943
257 HG13 ILE 34 1HG1 ILE 34 3.805 0.286 4.205
258 HG21 ILE 34 1HG2 ILE 34 5.212 -1.374 3.035
259 HG22 ILE 34 2HG2 ILE 34 6.290 -0.829 1.748
260 HG23 ILE 34 3HG2 ILE 34 4.553 -0.545 1.625
261 HD11 ILE 34 3HD1 ILE 34 4.982 1.950 5.464
262 HD12 ILE 34 1HD1 ILE 34 3.360 2.495 5.046
263 HD13 ILE 34 2HD1 ILE 34 4.754 3.116 4.160
264 H GLU 35 H GLU 35 6.163 2.670 5.297
265 HA GLU 35 HA GLU 35 6.529 4.932 4.925
266 HB2 GLU 35 2HB GLU 35 7.475 3.888 7.054
267 HB3 GLU 35 1HB GLU 35 9.055 4.131 6.318
268 HG2 GLU 35 2HG GLU 35 7.317 6.454 6.221
269 HG3 GLU 35 1HG GLU 35 7.744 5.949 7.858
270 H ASN 36 H ASN 36 9.895 4.528 5.069
271 HA ASN 36 HA ASN 36 10.266 6.418 2.987
272 HB2 ASN 36 2HB ASN 36 12.702 6.112 3.458
273 HB3 ASN 36 1HB ASN 36 11.727 6.513 4.869
274 HD21 ASN 36 1HD2 ASN 36 11.492 5.042 6.502
275 HD22 ASN 36 2HD2 ASN 36 12.406 3.569 6.581
276 H ASP 37 H ASP 37 9.602 3.268 2.492
277 HA ASP 37 HA ASP 37 11.594 2.706 0.482
278 HB2 ASP 37 2HB ASP 37 9.009 1.350 1.237
279 HB3 ASP 37 1HB ASP 37 9.946 0.846 -0.165
280 HA PRO 38 HA PRO 38 10.059 4.963 -2.952
281 HB2 PRO 38 2HB PRO 38 10.479 3.027 -4.912
282 HB3 PRO 38 1HB PRO 38 11.676 4.195 -4.346
283 HG2 PRO 38 2HG PRO 38 11.290 1.341 -3.566
284 HG3 PRO 38 1HG PRO 38 12.795 2.253 -3.790
285 HD2 PRO 38 2HD PRO 38 11.857 1.701 -1.346
286 HD3 PRO 38 1HD PRO 38 12.642 3.257 -1.702
287 H ASP 39 H ASP 39 8.924 1.715 -2.348
288 HA ASP 39 HA ASP 39 6.780 1.606 -4.149
289 HB2 ASP 39 2HB ASP 39 7.210 0.272 -1.475
290 HB3 ASP 39 1HB ASP 39 5.846 -0.094 -2.525
291 H PHE 40 H PHE 40 6.873 2.598 -0.735
292 HA PHE 40 HA PHE 40 4.060 3.184 -0.666
293 HB2 PHE 40 2HB PHE 40 5.334 2.402 1.257
294 HB3 PHE 40 1HB PHE 40 6.320 3.844 1.210
295 HD1 PHE 40 2HD PHE 40 2.635 2.921 1.627
296 HD2 PHE 40 1HD PHE 40 5.918 5.440 2.698
297 HE1 PHE 40 2HE PHE 40 1.298 3.925 3.371
298 HE2 PHE 40 1HE PHE 40 4.549 6.424 4.469
299 HZ PHE 40 HZ PHE 40 2.270 5.618 4.803
300 H TYR 41 H TYR 41 6.733 4.821 -1.885
301 HA TYR 41 HA TYR 41 5.465 7.447 -1.589
302 HB2 TYR 41 2HB TYR 41 8.207 6.639 -2.548
303 HB3 TYR 41 1HB TYR 41 7.596 8.281 -2.661
304 HD1 TYR 41 2HD TYR 41 6.077 8.040 0.084
305 HD2 TYR 41 1HD TYR 41 10.072 7.281 -1.164
306 HE1 TYR 41 2HE TYR 41 6.871 8.516 2.359
307 HE2 TYR 41 1HE TYR 41 10.877 7.754 1.108
308 HH TYR 41 HH TYR 41 8.948 7.848 3.782
309 H LYS 42 H LYS 42 4.958 4.997 -3.571
310 HA LYS 42 HA LYS 42 5.214 6.180 -6.154
311 HB2 LYS 42 2HB LYS 42 3.467 3.939 -5.140
312 HB3 LYS 42 1HB LYS 42 3.528 4.419 -6.824
313 HG2 LYS 42 2HG LYS 42 5.882 3.447 -5.220
314 HG3 LYS 42 1HG LYS 42 4.922 2.456 -6.318
315 HD2 LYS 42 2HD LYS 42 5.539 3.956 -8.172
316 HD3 LYS 42 1HD LYS 42 6.547 4.887 -7.061
317 HE2 LYS 42 2HE LYS 42 7.940 2.955 -6.651
318 HE3 LYS 42 1HE LYS 42 6.894 1.951 -7.653
319 HZ1 LYS 42 3HZ LYS 42 8.799 2.574 -8.913
320 HZ2 LYS 42 1HZ LYS 42 8.583 4.220 -8.559
321 HZ3 LYS 42 2HZ LYS 42 7.467 3.408 -9.543
322 H ILE 43 H ILE 43 2.969 6.508 -3.581
323 HA ILE 43 HA ILE 43 1.348 8.289 -5.271
324 HB ILE 43 HB ILE 43 0.410 6.633 -2.920
325 HG12 ILE 43 2HG1 ILE 43 -0.367 6.589 -5.844
326 HG13 ILE 43 1HG1 ILE 43 0.631 5.388 -5.034
327 HG21 ILE 43 1HG2 ILE 43 -1.110 8.657 -4.566
328 HG22 ILE 43 2HG2 ILE 43 -0.631 8.839 -2.878
329 HG23 ILE 43 3HG2 ILE 43 -1.806 7.603 -3.333
330 HD11 ILE 43 3HD1 ILE 43 -2.254 5.982 -4.430
331 HD12 ILE 43 1HD1 ILE 43 -1.257 4.775 -3.619
332 HD13 ILE 43 2HD1 ILE 43 -1.640 4.598 -5.332
333 H ARG 44 H ARG 44 1.393 10.338 -4.691
334 HA ARG 44 HA ARG 44 3.020 11.329 -2.654
335 HB2 ARG 44 2HB ARG 44 1.606 13.492 -3.101
336 HB3 ARG 44 1HB ARG 44 2.694 12.865 -4.333
337 HG2 ARG 44 2HG ARG 44 0.924 11.997 -5.608
338 HG3 ARG 44 1HG ARG 44 -0.218 12.140 -4.273
339 HD2 ARG 44 2HD ARG 44 1.112 14.566 -5.422
340 HD3 ARG 44 1HD ARG 44 -0.313 13.866 -6.191
341 HE ARG 44 HE ARG 44 -0.979 14.120 -3.533
342 HH11 ARG 44 1HH1 ARG 44 0.115 16.347 -6.020
343 HH12 ARG 44 2HH1 ARG 44 -0.842 17.673 -5.416
344 HH21 ARG 44 1HH2 ARG 44 -2.233 15.825 -2.765
345 HH22 ARG 44 2HH2 ARG 44 -2.183 17.375 -3.556
346 H ASP 45 H ASP 45 -0.493 10.852 -2.699
347 HA ASP 45 HA ASP 45 -0.740 12.125 -0.107
348 HB2 ASP 45 2HB ASP 45 -2.719 11.098 -2.114
349 HB3 ASP 45 1HB ASP 45 -3.221 11.464 -0.465
350 H ASP 46 H ASP 46 -0.532 11.109 1.690
351 HA ASP 46 HA ASP 46 -0.348 8.255 1.895
352 HB2 ASP 46 2HB ASP 46 0.946 9.871 3.298
353 HB3 ASP 46 1HB ASP 46 -0.554 10.356 4.078
354 H THR 47 H THR 47 -2.857 10.607 2.282
355 HA THR 47 HA THR 47 -4.625 8.960 3.807
356 HB THR 47 HB THR 47 -6.282 10.786 2.738
357 HG1 THR 47 1HG THR 47 -5.221 12.599 2.128
358 HG21 THR 47 3HG2 THR 47 -5.836 10.473 5.118
359 HG22 THR 47 1HG2 THR 47 -5.799 12.185 4.691
360 HG23 THR 47 2HG2 THR 47 -4.289 11.308 4.945
361 H VAL 48 H VAL 48 -3.593 8.659 0.710
362 HA VAL 48 HA VAL 48 -6.091 7.366 -0.158
363 HB VAL 48 HB VAL 48 -3.621 8.021 -1.793
364 HG11 VAL 48 1HG1 VAL 48 -4.818 6.065 -2.637
365 HG12 VAL 48 2HG1 VAL 48 -4.988 7.436 -3.733
366 HG13 VAL 48 3HG1 VAL 48 -6.319 6.990 -2.667
367 HG21 VAL 48 3HG2 VAL 48 -4.817 10.037 -1.121
368 HG22 VAL 48 1HG2 VAL 48 -6.324 9.361 -1.738
369 HG23 VAL 48 2HG2 VAL 48 -5.008 9.742 -2.849
370 H ARG 49 H ARG 49 -2.872 6.886 0.894
371 HA ARG 49 HA ARG 49 -2.199 4.433 -0.307
372 HB2 ARG 49 2HB ARG 49 -1.304 5.676 2.294
373 HB3 ARG 49 1HB ARG 49 -0.537 4.290 1.589
374 HG2 ARG 49 2HG ARG 49 0.020 5.619 -0.394
375 HG3 ARG 49 1HG ARG 49 -0.752 7.000 0.371
376 HD2 ARG 49 2HD ARG 49 0.863 6.815 2.242
377 HD3 ARG 49 1HD ARG 49 1.669 5.528 1.354
378 HE ARG 49 HE ARG 49 1.786 7.437 -0.449
379 HH11 ARG 49 1HH1 ARG 49 2.286 7.717 3.010
380 HH12 ARG 49 2HH1 ARG 49 3.513 8.947 2.848
381 HH21 ARG 49 1HH2 ARG 49 3.354 9.079 -0.644
382 HH22 ARG 49 2HH2 ARG 49 4.095 9.729 0.787
383 H GLU 50 H GLU 50 -3.635 5.096 2.891
384 HA GLU 50 HA GLU 50 -3.863 2.260 3.280
385 HB2 GLU 50 2HB GLU 50 -5.280 3.237 5.247
386 HB3 GLU 50 1HB GLU 50 -3.632 2.899 5.348
387 HG2 GLU 50 2HG GLU 50 -4.220 4.873 6.283
388 HG3 GLU 50 1HG GLU 50 -3.058 5.124 5.130
389 H SER 51 H SER 51 -5.918 4.663 2.001
390 HA SER 51 HA SER 51 -8.229 2.977 2.068
391 HB2 SER 51 2HB SER 51 -7.466 5.054 -0.013
392 HB3 SER 51 1HB SER 51 -9.069 4.348 0.192
393 HG SER 51 HG SER 51 -8.898 5.200 2.420
394 H LEU 52 H LEU 52 -5.277 2.519 0.675
395 HA LEU 52 HA LEU 52 -5.999 1.337 -1.727
396 HB2 LEU 52 2HB LEU 52 -3.486 1.348 -0.232
397 HB3 LEU 52 1HB LEU 52 -3.616 0.671 -1.791
398 HG LEU 52 HG LEU 52 -4.035 3.561 -1.083
399 HD11 LEU 52 1HD1 LEU 52 -1.723 2.935 -1.293
400 HD12 LEU 52 2HD1 LEU 52 -2.217 3.994 -2.613
401 HD13 LEU 52 3HD1 LEU 52 -2.039 2.263 -2.893
402 HD21 LEU 52 3HD2 LEU 52 -4.490 3.984 -3.439
403 HD22 LEU 52 1HD2 LEU 52 -5.705 2.929 -2.722
404 HD23 LEU 52 2HD2 LEU 52 -4.450 2.250 -3.757
405 H PHE 53 H PHE 53 -4.985 0.394 1.017
406 HA PHE 53 HA PHE 53 -4.196 -2.190 0.487
407 HB2 PHE 53 2HB PHE 53 -3.172 -1.181 2.140
408 HB3 PHE 53 1HB PHE 53 -4.328 0.159 1.820
409 HD1 PHE 53 2HD PHE 53 -6.331 0.199 3.192
410 HD2 PHE 53 1HD PHE 53 -3.152 -2.371 4.163
411 HE1 PHE 53 2HE PHE 53 -7.237 -0.019 5.499
412 HE2 PHE 53 1HE PHE 53 -4.006 -2.624 6.464
413 HZ PHE 53 HZ PHE 53 -6.063 -1.439 7.138
414 H GLU 54 H GLU 54 -6.960 -0.595 1.847
415 HA GLU 54 HA GLU 54 -8.503 -2.701 2.844
416 HB2 GLU 54 2HB GLU 54 -9.927 -0.666 1.208
417 HB3 GLU 54 1HB GLU 54 -10.306 -1.271 2.808
418 HG2 GLU 54 2HG GLU 54 -8.390 0.047 3.679
419 HG3 GLU 54 1HG GLU 54 -8.244 0.754 2.064
420 H GLU 55 H GLU 55 -8.360 -1.383 -0.419
421 HA GLU 55 HA GLU 55 -10.298 -3.103 -1.543
422 HB2 GLU 55 2HB GLU 55 -8.034 -1.721 -2.989
423 HB3 GLU 55 1HB GLU 55 -9.547 -2.282 -3.689
424 HG2 GLU 55 2HG GLU 55 -10.767 -0.646 -2.334
425 HG3 GLU 55 1HG GLU 55 -9.235 -0.075 -1.668
426 H TRP 56 H TRP 56 -6.741 -3.232 -1.608
427 HA TRP 56 HA TRP 56 -6.629 -5.620 -3.087
428 HB2 TRP 56 2HB TRP 56 -4.808 -4.217 -3.218
429 HB3 TRP 56 1HB TRP 56 -4.640 -4.172 -1.487
430 HD1 TRP 56 HD TRP 56 -3.937 -6.764 -4.131
431 HE1 TRP 56 1HE TRP 56 -2.181 -8.416 -3.226
432 HE3 TRP 56 3HE TRP 56 -3.412 -4.312 -0.547
433 HZ2 TRP 56 2HZ TRP 56 -0.478 -8.203 -0.843
434 HZ3 TRP 56 3HZ TRP 56 -1.707 -4.617 0.574
435 HH2 TRP 56 HH TRP 56 -0.237 -6.528 0.865
436 H CYS 57 H CYS 57 -7.111 -4.941 0.156
437 HA CYS 57 HA CYS 57 -6.179 -7.330 1.391
438 HB2 CYS 57 2HB CYS 57 -6.558 -5.296 2.713
439 HB3 CYS 57 1HB CYS 57 -8.278 -5.361 2.350
440 HG CYS 57 HG CYS 57 -8.961 -6.945 4.250
441 H GLY 58 H GLY 58 -9.396 -6.111 0.483
442 HA2 GLY 58 2HA GLY 58 -10.471 -8.849 0.550
443 HA3 GLY 58 1HA GLY 58 -11.421 -7.366 0.447
444 H GLU 59 H GLU 59 -8.600 -8.372 -1.365
445 HA GLU 59 HA GLU 59 -9.984 -7.646 -3.830
446 HB2 GLU 59 2HB GLU 59 -7.623 -6.803 -2.887
447 HB3 GLU 59 1HB GLU 59 -7.070 -8.289 -3.686
448 HG2 GLU 59 2HG GLU 59 -8.642 -6.144 -5.098
449 HG3 GLU 59 1HG GLU 59 -6.882 -6.213 -5.062
Start of MODEL 14
1 H1 ASP 5 H ASP 5 -7.029 7.131 -10.696
2 HA ASP 5 HA ASP 5 -9.649 7.486 -9.630
3 HB2 ASP 5 2HB ASP 5 -10.894 7.377 -11.766
4 HB3 ASP 5 1HB ASP 5 -9.996 8.872 -11.587
5 H ILE 6 H ILE 6 -8.863 5.648 -8.636
6 HA ILE 6 HA ILE 6 -8.156 3.523 -8.357
7 HB ILE 6 HB ILE 6 -9.747 1.808 -9.074
8 HG12 ILE 6 2HG1 ILE 6 -11.313 4.127 -10.235
9 HG13 ILE 6 1HG1 ILE 6 -10.560 2.839 -11.165
10 HG21 ILE 6 1HG2 ILE 6 -10.854 4.238 -7.687
11 HG22 ILE 6 2HG2 ILE 6 -9.974 2.900 -6.949
12 HG23 ILE 6 3HG2 ILE 6 -11.579 2.631 -7.628
13 HD11 ILE 6 3HD1 ILE 6 -12.954 2.494 -10.929
14 HD12 ILE 6 1HD1 ILE 6 -12.790 2.494 -9.174
15 HD13 ILE 6 2HD1 ILE 6 -12.043 1.213 -10.129
16 H ASP 7 H ASP 7 -6.294 3.314 -9.258
17 HA ASP 7 HA ASP 7 -5.942 1.620 -11.388
18 HB2 ASP 7 2HB ASP 7 -6.367 3.476 -12.821
19 HB3 ASP 7 1HB ASP 7 -5.192 4.399 -11.893
20 H GLU 8 H GLU 8 -4.776 3.877 -10.070
21 HA GLU 8 HA GLU 8 -2.008 3.242 -9.657
22 HB2 GLU 8 2HB GLU 8 -1.820 5.272 -8.394
23 HB3 GLU 8 1HB GLU 8 -2.902 5.590 -9.741
24 HG2 GLU 8 2HG GLU 8 -3.741 5.040 -6.900
25 HG3 GLU 8 1HG GLU 8 -3.684 6.629 -7.672
26 H ARG 9 H ARG 9 -4.901 2.927 -7.778
27 HA ARG 9 HA ARG 9 -3.947 2.247 -5.290
28 HB2 ARG 9 2HB ARG 9 -6.054 1.072 -4.992
29 HB3 ARG 9 1HB ARG 9 -6.311 2.546 -5.899
30 HG2 ARG 9 2HG ARG 9 -6.438 1.265 -7.974
31 HG3 ARG 9 1HG ARG 9 -6.183 -0.220 -7.066
32 HD2 ARG 9 2HD ARG 9 -8.232 0.293 -5.772
33 HD3 ARG 9 1HD ARG 9 -8.525 1.665 -6.830
34 HE ARG 9 HE ARG 9 -8.464 -0.220 -8.629
35 HH11 ARG 9 1HH1 ARG 9 -9.870 -0.378 -5.430
36 HH12 ARG 9 2HH1 ARG 9 -11.024 -1.603 -5.851
37 HH21 ARG 9 1HH2 ARG 9 -9.977 -1.856 -9.187
38 HH22 ARG 9 2HH2 ARG 9 -11.073 -2.453 -7.974
39 H ASN 10 H ASN 10 -4.473 0.125 -8.054
40 HA ASN 10 HA ASN 10 -3.789 -2.319 -6.784
41 HB2 ASN 10 2HB ASN 10 -3.609 -1.596 -9.738
42 HB3 ASN 10 1HB ASN 10 -3.630 -3.228 -9.071
43 HD21 ASN 10 1HD2 ASN 10 -5.492 -0.358 -9.694
44 HD22 ASN 10 2HD2 ASN 10 -7.050 -1.057 -9.395
45 H ILE 11 H ILE 11 -1.855 0.241 -8.039
46 HA ILE 11 HA ILE 11 0.564 -1.130 -8.330
47 HB ILE 11 HB ILE 11 0.101 1.697 -7.361
48 HG12 ILE 11 2HG1 ILE 11 0.779 0.615 -10.106
49 HG13 ILE 11 1HG1 ILE 11 -0.789 1.244 -9.611
50 HG21 ILE 11 1HG2 ILE 11 2.628 0.388 -8.364
51 HG22 ILE 11 2HG2 ILE 11 2.308 0.910 -6.710
52 HG23 ILE 11 3HG2 ILE 11 2.434 2.103 -8.003
53 HD11 ILE 11 3HD1 ILE 11 1.772 2.820 -9.742
54 HD12 ILE 11 1HD1 ILE 11 0.187 3.448 -9.287
55 HD13 ILE 11 2HD1 ILE 11 0.466 2.863 -10.927
56 H PHE 12 H PHE 12 -1.044 0.248 -5.432
57 HA PHE 12 HA PHE 12 1.258 -0.291 -3.817
58 HB2 PHE 12 2HB PHE 12 -1.444 0.826 -3.334
59 HB3 PHE 12 1HB PHE 12 -0.603 0.131 -1.948
60 HD1 PHE 12 1HD PHE 12 0.650 2.052 -4.895
61 HD2 PHE 12 2HD PHE 12 0.164 1.960 -0.641
62 HE1 PHE 12 1HE PHE 12 1.973 4.104 -4.687
63 HE2 PHE 12 2HE PHE 12 1.495 4.009 -0.459
64 HZ PHE 12 HZ PHE 12 2.398 5.085 -2.475
65 H PHE 13 H PHE 13 -2.025 -1.835 -3.749
66 HA PHE 13 HA PHE 13 -1.886 -4.389 -2.402
67 HB2 PHE 13 2HB PHE 13 -2.255 -4.367 -5.072
68 HB3 PHE 13 1HB PHE 13 -3.169 -5.020 -3.951
69 HD1 PHE 13 1HD PHE 13 -3.282 -1.826 -2.896
70 HD2 PHE 13 2HD PHE 13 -4.593 -4.258 -6.126
71 HE1 PHE 13 1HE PHE 13 -5.282 -0.422 -3.161
72 HE2 PHE 13 2HE PHE 13 -6.567 -2.840 -6.406
73 HZ PHE 13 HZ PHE 13 -6.916 -0.937 -4.916
74 H GLU 14 H GLU 14 -0.405 -3.481 -5.636
75 HA GLU 14 HA GLU 14 0.776 -6.027 -6.053
76 HB2 GLU 14 2HB GLU 14 0.379 -4.219 -7.808
77 HB3 GLU 14 1HB GLU 14 1.817 -3.433 -7.186
78 HG2 GLU 14 2HG GLU 14 3.087 -5.519 -7.663
79 HG3 GLU 14 1HG GLU 14 1.646 -6.151 -8.458
80 H LEU 15 H LEU 15 2.154 -2.928 -5.079
81 HA LEU 15 HA LEU 15 4.670 -3.848 -4.232
82 HB2 LEU 15 2HB LEU 15 3.186 -1.713 -2.732
83 HB3 LEU 15 1HB LEU 15 4.898 -1.823 -3.057
84 HG LEU 15 HG LEU 15 2.764 -1.152 -5.044
85 HD11 LEU 15 1HD1 LEU 15 4.867 0.570 -3.765
86 HD12 LEU 15 2HD1 LEU 15 3.129 0.634 -3.465
87 HD13 LEU 15 3HD1 LEU 15 3.769 1.073 -5.049
88 HD21 LEU 15 3HD2 LEU 15 4.596 -2.348 -6.110
89 HD22 LEU 15 1HD2 LEU 15 5.761 -1.248 -5.375
90 HD23 LEU 15 2HD2 LEU 15 4.617 -0.648 -6.576
91 H PHE 16 H PHE 16 1.432 -4.082 -2.861
92 HA PHE 16 HA PHE 16 2.365 -4.310 -0.176
93 HB2 PHE 16 2HB PHE 16 -0.082 -4.299 -1.793
94 HB3 PHE 16 1HB PHE 16 -0.203 -4.844 -0.176
95 HD1 PHE 16 1HD PHE 16 2.022 -2.221 0.088
96 HD2 PHE 16 2HD PHE 16 -2.140 -2.961 -0.829
97 HE1 PHE 16 1HE PHE 16 1.416 0.067 0.801
98 HE2 PHE 16 2HE PHE 16 -2.668 -0.706 -0.111
99 HZ PHE 16 HZ PHE 16 -0.949 0.802 0.685
100 H ASP 17 H ASP 17 1.476 -6.300 -2.884
101 HA ASP 17 HA ASP 17 1.567 -8.771 -1.428
102 HB2 ASP 17 2HB ASP 17 0.264 -8.444 -3.551
103 HB3 ASP 17 1HB ASP 17 1.794 -8.386 -4.408
104 H ARG 18 H ARG 18 3.625 -7.040 -3.634
105 HA ARG 18 HA ARG 18 5.737 -8.870 -3.751
106 HB2 ARG 18 2HB ARG 18 5.422 -6.910 -5.266
107 HB3 ARG 18 1HB ARG 18 5.958 -5.865 -3.957
108 HG2 ARG 18 2HG ARG 18 8.132 -6.815 -3.976
109 HG3 ARG 18 1HG ARG 18 7.625 -8.099 -5.073
110 HD2 ARG 18 2HD ARG 18 7.186 -6.393 -6.808
111 HD3 ARG 18 1HD ARG 18 7.791 -5.154 -5.705
112 HE ARG 18 HE ARG 18 9.969 -6.193 -5.833
113 HH11 ARG 18 1HH1 ARG 18 7.629 -7.180 -8.260
114 HH12 ARG 18 2HH1 ARG 18 8.832 -7.883 -9.303
115 HH21 ARG 18 1HH2 ARG 18 11.533 -7.102 -7.207
116 HH22 ARG 18 2HH2 ARG 18 11.044 -7.862 -8.692
117 H TYR 19 H TYR 19 4.829 -6.618 -1.259
118 HA TYR 19 HA TYR 19 7.339 -7.230 0.177
119 HB2 TYR 19 2HB TYR 19 5.288 -5.037 0.565
120 HB3 TYR 19 1HB TYR 19 6.497 -5.413 1.784
121 HD1 TYR 19 2HD TYR 19 7.247 -5.551 -1.827
122 HD2 TYR 19 1HD TYR 19 7.513 -3.213 1.725
123 HE1 TYR 19 2HE TYR 19 8.841 -4.048 -2.938
124 HE2 TYR 19 1HE TYR 19 9.107 -1.714 0.620
125 HH TYR 19 HH TYR 19 9.527 -1.548 -2.630
126 H LYS 20 H LYS 20 4.471 -8.427 -0.346
127 HA LYS 20 HA LYS 20 2.754 -9.446 0.720
128 HB2 LYS 20 2HB LYS 20 4.415 -11.158 0.526
129 HB3 LYS 20 1HB LYS 20 5.132 -10.711 2.064
130 HG2 LYS 20 2HG LYS 20 3.784 -12.701 2.311
131 HG3 LYS 20 1HG LYS 20 3.051 -11.364 3.197
132 HD2 LYS 20 2HD LYS 20 1.279 -12.497 2.103
133 HD3 LYS 20 1HD LYS 20 1.552 -11.015 1.192
134 HE2 LYS 20 2HE LYS 20 2.931 -13.530 0.356
135 HE3 LYS 20 1HE LYS 20 1.229 -13.303 -0.039
136 HZ1 LYS 20 3HZ LYS 20 1.728 -11.412 -1.328
137 HZ2 LYS 20 1HZ LYS 20 2.871 -12.577 -1.769
138 HZ3 LYS 20 2HZ LYS 20 3.314 -11.312 -0.739
139 H LEU 21 H LEU 21 1.807 -7.747 1.697
140 HA LEU 21 HA LEU 21 2.559 -7.029 4.421
141 HB2 LEU 21 2HB LEU 21 0.354 -6.129 2.585
142 HB3 LEU 21 1HB LEU 21 0.570 -5.526 4.204
143 HG LEU 21 HG LEU 21 1.350 -4.196 2.171
144 HD11 LEU 21 1HD1 LEU 21 3.133 -3.130 3.473
145 HD12 LEU 21 2HD1 LEU 21 3.122 -4.510 4.571
146 HD13 LEU 21 3HD1 LEU 21 1.703 -3.473 4.447
147 HD21 LEU 21 3HD2 LEU 21 2.803 -5.811 1.124
148 HD22 LEU 21 1HD2 LEU 21 3.773 -5.916 2.592
149 HD23 LEU 21 2HD2 LEU 21 3.743 -4.418 1.662
150 H ASP 22 H ASP 22 1.006 -6.933 6.036
151 HA ASP 22 HA ASP 22 -0.861 -9.174 5.996
152 HB2 ASP 22 2HB ASP 22 -0.045 -7.250 8.187
153 HB3 ASP 22 1HB ASP 22 -1.190 -8.571 8.423
154 H LYS 23 H LYS 23 -2.067 -8.440 4.497
155 HA LYS 23 HA LYS 23 -2.984 -5.777 4.242
156 HB2 LYS 23 2HB LYS 23 -2.928 -7.854 2.568
157 HB3 LYS 23 1HB LYS 23 -4.648 -7.828 2.980
158 HG2 LYS 23 2HG LYS 23 -3.224 -6.112 1.204
159 HG3 LYS 23 1HG LYS 23 -4.955 -6.069 1.646
160 HD2 LYS 23 2HD LYS 23 -4.248 -3.955 2.246
161 HD3 LYS 23 1HD LYS 23 -4.029 -4.823 3.767
162 HE2 LYS 23 2HE LYS 23 -1.626 -5.287 2.812
163 HE3 LYS 23 1HE LYS 23 -1.988 -3.895 1.796
164 HZ1 LYS 23 3HZ LYS 23 -2.464 -2.616 3.826
165 HZ2 LYS 23 1HZ LYS 23 -0.857 -3.137 3.723
166 HZ3 LYS 23 2HZ LYS 23 -1.941 -3.927 4.758
167 H PHE 24 H PHE 24 -4.211 -8.530 5.974
168 HA PHE 24 HA PHE 24 -6.758 -7.177 6.512
169 HB2 PHE 24 2HB PHE 24 -7.500 -9.468 7.268
170 HB3 PHE 24 1HB PHE 24 -7.110 -9.337 5.557
171 HD1 PHE 24 1HD PHE 24 -5.135 -10.422 4.643
172 HD2 PHE 24 2HD PHE 24 -6.144 -10.802 8.762
173 HE1 PHE 24 1HE PHE 24 -3.577 -12.317 4.851
174 HE2 PHE 24 2HE PHE 24 -4.587 -12.693 8.973
175 HZ PHE 24 HZ PHE 24 -3.298 -13.454 7.015
176 H SER 25 H SER 25 -4.225 -6.539 7.894
177 HA SER 25 HA SER 25 -4.968 -7.400 10.613
178 HB2 SER 25 2HB SER 25 -2.818 -8.347 9.957
179 HB3 SER 25 1HB SER 25 -2.217 -6.747 9.532
180 HG SER 25 HG SER 25 -2.378 -7.958 11.970
181 H THR 26 H THR 26 -2.741 -4.889 9.472
182 HA THR 26 HA THR 26 -4.431 -2.756 10.585
183 HB THR 26 HB THR 26 -2.040 -1.873 11.464
184 HG1 THR 26 1HG THR 26 -2.029 -4.694 12.019
185 HG21 THR 26 3HG2 THR 26 -2.759 -2.530 13.730
186 HG22 THR 26 1HG2 THR 26 -3.925 -3.660 13.042
187 HG23 THR 26 2HG2 THR 26 -4.114 -1.926 12.773
188 H TRP 27 H TRP 27 -3.931 -0.822 9.932
189 HA TRP 27 HA TRP 27 -2.956 -0.698 7.252
190 HB2 TRP 27 2HB TRP 27 -4.467 1.041 7.819
191 HB3 TRP 27 1HB TRP 27 -3.587 1.434 9.296
192 HD1 TRP 27 HD TRP 27 -2.503 3.781 8.866
193 HE1 TRP 27 1HE TRP 27 -1.263 4.984 7.070
194 HE3 TRP 27 3HE TRP 27 -2.908 0.245 5.360
195 HZ2 TRP 27 2HZ TRP 27 -0.600 4.552 4.495
196 HZ3 TRP 27 3HZ TRP 27 -2.008 0.810 3.138
197 HH2 TRP 27 HH TRP 27 -1.029 3.002 2.856
198 H SER 28 H SER 28 -1.669 0.428 10.373
199 HA SER 28 HA SER 28 0.596 1.255 8.944
200 HB2 SER 28 2HB SER 28 1.534 1.659 11.091
201 HB3 SER 28 1HB SER 28 0.467 2.767 10.359
202 HG SER 28 HG SER 28 -0.238 0.840 12.362
203 H LEU 29 H LEU 29 0.013 -1.600 10.878
204 HA LEU 29 HA LEU 29 2.639 -2.353 11.300
205 HB2 LEU 29 2HB LEU 29 0.683 -3.813 11.801
206 HB3 LEU 29 1HB LEU 29 0.482 -4.099 10.083
207 HG LEU 29 HG LEU 29 2.717 -5.178 10.030
208 HD11 LEU 29 1HD1 LEU 29 3.791 -5.786 12.137
209 HD12 LEU 29 2HD1 LEU 29 2.590 -4.850 13.027
210 HD13 LEU 29 3HD1 LEU 29 3.713 -4.037 11.938
211 HD21 LEU 29 3HD2 LEU 29 0.720 -6.534 10.248
212 HD22 LEU 29 1HD2 LEU 29 0.744 -6.330 11.999
213 HD23 LEU 29 2HD2 LEU 29 2.034 -7.228 11.199
214 H GLN 30 H GLN 30 0.791 -1.874 8.514
215 HA GLN 30 HA GLN 30 2.802 -2.830 6.643
216 HB2 GLN 30 2HB GLN 30 0.220 -1.417 5.991
217 HB3 GLN 30 1HB GLN 30 1.236 -2.348 4.900
218 HG2 GLN 30 2HG GLN 30 -0.754 -3.254 6.837
219 HG3 GLN 30 1HG GLN 30 -0.328 -3.925 5.310
220 HE21 GLN 30 1HE2 GLN 30 -0.711 -4.990 8.103
221 HE22 GLN 30 2HE2 GLN 30 0.676 -5.991 8.366
222 H SER 31 H SER 31 1.214 0.202 7.470
223 HA SER 31 HA SER 31 2.902 1.737 5.864
224 HB2 SER 31 2HB SER 31 1.784 3.748 6.803
225 HB3 SER 31 1HB SER 31 0.832 2.609 5.850
226 HG SER 31 HG SER 31 -0.238 3.192 7.759
227 H LYS 32 H LYS 32 3.253 1.102 9.276
228 HA LYS 32 HA LYS 32 5.372 3.071 9.403
229 HB2 LYS 32 2HB LYS 32 5.979 2.090 11.557
230 HB3 LYS 32 1HB LYS 32 4.255 2.397 11.499
231 HG2 LYS 32 2HG LYS 32 4.423 0.341 12.556
232 HG3 LYS 32 1HG LYS 32 4.019 -0.080 10.896
233 HD2 LYS 32 2HD LYS 32 5.738 -1.563 11.737
234 HD3 LYS 32 1HD LYS 32 6.399 -0.545 10.457
235 HE2 LYS 32 2HE LYS 32 7.977 -0.725 12.287
236 HE3 LYS 32 1HE LYS 32 7.380 0.928 12.158
237 HZ1 LYS 32 3HZ LYS 32 6.415 -1.106 14.101
238 HZ2 LYS 32 1HZ LYS 32 5.866 0.493 13.987
239 HZ3 LYS 32 2HZ LYS 32 7.462 0.175 14.458
240 H LYS 33 H LYS 33 4.752 0.120 8.119
241 HA LYS 33 HA LYS 33 7.493 -0.912 8.144
242 HB2 LYS 33 2HB LYS 33 5.783 -2.555 8.272
243 HB3 LYS 33 1HB LYS 33 4.955 -1.905 6.867
244 HG2 LYS 33 2HG LYS 33 6.948 -2.576 5.500
245 HG3 LYS 33 1HG LYS 33 7.553 -3.417 6.930
246 HD2 LYS 33 2HD LYS 33 5.618 -4.848 6.972
247 HD3 LYS 33 1HD LYS 33 4.859 -3.929 5.671
248 HE2 LYS 33 2HE LYS 33 5.774 -5.954 4.758
249 HE3 LYS 33 1HE LYS 33 6.726 -4.589 4.179
250 HZ1 LYS 33 3HZ LYS 33 7.460 -6.477 6.352
251 HZ2 LYS 33 1HZ LYS 33 8.351 -5.091 5.947
252 HZ3 LYS 33 2HZ LYS 33 8.185 -6.342 4.824
253 H ILE 34 H ILE 34 5.275 -0.117 5.440
254 HA ILE 34 HA ILE 34 7.173 -0.322 3.407
255 HB ILE 34 HB ILE 34 5.575 1.364 2.178
256 HG12 ILE 34 2HG1 ILE 34 3.342 1.540 3.046
257 HG13 ILE 34 1HG1 ILE 34 3.687 0.412 4.352
258 HG21 ILE 34 1HG2 ILE 34 5.777 -0.984 1.665
259 HG22 ILE 34 2HG2 ILE 34 4.078 -0.510 1.663
260 HG23 ILE 34 3HG2 ILE 34 4.743 -1.399 3.032
261 HD11 ILE 34 3HD1 ILE 34 5.098 2.099 5.366
262 HD12 ILE 34 1HD1 ILE 34 3.458 2.685 5.101
263 HD13 ILE 34 2HD1 ILE 34 4.758 3.187 4.020
264 H GLU 35 H GLU 35 6.265 2.466 5.285
265 HA GLU 35 HA GLU 35 7.462 4.543 4.374
266 HB2 GLU 35 2HB GLU 35 6.716 3.727 6.910
267 HB3 GLU 35 1HB GLU 35 8.400 4.203 7.089
268 HG2 GLU 35 2HG GLU 35 6.233 5.902 5.878
269 HG3 GLU 35 1HG GLU 35 6.855 6.043 7.510
270 H ASN 36 H ASN 36 9.123 5.416 4.172
271 HA ASN 36 HA ASN 36 11.328 5.902 3.737
272 HB2 ASN 36 2HB ASN 36 11.935 4.807 5.876
273 HB3 ASN 36 1HB ASN 36 12.041 3.265 5.035
274 HD21 ASN 36 1HD2 ASN 36 13.813 2.831 3.763
275 HD22 ASN 36 2HD2 ASN 36 15.216 3.846 3.718
276 H ASP 37 H ASP 37 9.839 2.943 2.746
277 HA ASP 37 HA ASP 37 11.730 2.423 0.637
278 HB2 ASP 37 2HB ASP 37 8.958 1.342 1.170
279 HB3 ASP 37 1HB ASP 37 9.931 0.846 -0.208
280 HA PRO 38 HA PRO 38 10.279 5.364 -2.324
281 HB2 PRO 38 2HB PRO 38 10.781 3.333 -4.411
282 HB3 PRO 38 1HB PRO 38 11.496 4.934 -4.205
283 HG2 PRO 38 2HG PRO 38 12.892 2.704 -3.710
284 HG3 PRO 38 1HG PRO 38 13.110 4.176 -2.745
285 HD2 PRO 38 2HD PRO 38 11.616 1.673 -2.078
286 HD3 PRO 38 1HD PRO 38 12.628 2.698 -1.041
287 H ASP 39 H ASP 39 8.865 2.297 -1.920
288 HA ASP 39 HA ASP 39 6.934 2.561 -4.025
289 HB2 ASP 39 2HB ASP 39 7.385 0.517 -1.878
290 HB3 ASP 39 1HB ASP 39 5.944 0.483 -2.895
291 H PHE 40 H PHE 40 6.918 3.067 -0.510
292 HA PHE 40 HA PHE 40 4.101 3.277 -0.308
293 HB2 PHE 40 2HB PHE 40 5.615 2.946 1.625
294 HB3 PHE 40 1HB PHE 40 6.164 4.604 1.447
295 HD1 PHE 40 2HD PHE 40 2.724 2.983 1.576
296 HD2 PHE 40 1HD PHE 40 5.398 5.921 3.135
297 HE1 PHE 40 2HE PHE 40 1.017 3.695 3.124
298 HE2 PHE 40 1HE PHE 40 3.656 6.622 4.714
299 HZ PHE 40 HZ PHE 40 1.478 5.478 4.702
300 H TYR 41 H TYR 41 6.563 5.614 -1.257
301 HA TYR 41 HA TYR 41 4.453 7.630 -1.367
302 HB2 TYR 41 2HB TYR 41 6.244 9.289 -1.811
303 HB3 TYR 41 1HB TYR 41 6.378 8.483 -0.261
304 HD1 TYR 41 1HD TYR 41 7.742 8.311 -3.744
305 HD2 TYR 41 2HD TYR 41 8.426 7.666 0.406
306 HE1 TYR 41 1HE TYR 41 10.118 7.874 -4.209
307 HE2 TYR 41 2HE TYR 41 10.797 7.214 -0.050
308 HH TYR 41 HH TYR 41 12.300 6.718 -1.711
309 H LYS 42 H LYS 42 4.793 5.328 -3.248
310 HA LYS 42 HA LYS 42 5.280 6.366 -5.829
311 HB2 LYS 42 2HB LYS 42 3.588 4.114 -4.785
312 HB3 LYS 42 1HB LYS 42 3.494 4.565 -6.477
313 HG2 LYS 42 2HG LYS 42 6.009 3.725 -5.048
314 HG3 LYS 42 1HG LYS 42 5.013 2.679 -6.060
315 HD2 LYS 42 2HD LYS 42 5.381 4.402 -7.905
316 HD3 LYS 42 1HD LYS 42 6.651 5.062 -6.874
317 HE2 LYS 42 2HE LYS 42 6.493 2.254 -7.960
318 HE3 LYS 42 1HE LYS 42 7.596 3.522 -8.490
319 HZ1 LYS 42 3HZ LYS 42 8.367 3.496 -6.058
320 HZ2 LYS 42 1HZ LYS 42 8.866 2.236 -7.069
321 HZ3 LYS 42 2HZ LYS 42 7.609 1.982 -5.967
322 H ILE 43 H ILE 43 2.573 6.578 -3.644
323 HA ILE 43 HA ILE 43 1.059 8.127 -5.620
324 HB ILE 43 HB ILE 43 0.160 6.926 -2.994
325 HG12 ILE 43 2HG1 ILE 43 0.393 5.264 -4.735
326 HG13 ILE 43 1HG1 ILE 43 -1.318 5.566 -4.459
327 HG21 ILE 43 1HG2 ILE 43 -0.977 9.045 -3.359
328 HG22 ILE 43 2HG2 ILE 43 -2.094 7.697 -3.581
329 HG23 ILE 43 3HG2 ILE 43 -1.434 8.537 -4.985
330 HD11 ILE 43 3HD1 ILE 43 -0.847 5.354 -6.822
331 HD12 ILE 43 1HD1 ILE 43 0.331 6.663 -6.724
332 HD13 ILE 43 2HD1 ILE 43 -1.378 6.992 -6.442
333 H ARG 44 H ARG 44 0.649 10.218 -5.344
334 HA ARG 44 HA ARG 44 2.398 11.811 -3.890
335 HB2 ARG 44 2HB ARG 44 0.737 13.660 -4.506
336 HB3 ARG 44 1HB ARG 44 1.455 12.742 -5.823
337 HG2 ARG 44 2HG ARG 44 -0.622 11.311 -5.805
338 HG3 ARG 44 1HG ARG 44 -1.325 12.490 -4.699
339 HD2 ARG 44 2HD ARG 44 -0.190 13.254 -7.378
340 HD3 ARG 44 1HD ARG 44 -1.866 12.755 -7.169
341 HE ARG 44 HE ARG 44 -1.393 14.781 -5.327
342 HH11 ARG 44 1HH1 ARG 44 -1.378 14.412 -8.809
343 HH12 ARG 44 2HH1 ARG 44 -1.908 16.036 -9.118
344 HH21 ARG 44 1HH2 ARG 44 -2.062 16.920 -5.723
345 HH22 ARG 44 2HH2 ARG 44 -2.265 17.477 -7.358
346 H ASP 45 H ASP 45 -0.718 10.538 -2.940
347 HA ASP 45 HA ASP 45 -0.555 12.155 -0.486
348 HB2 ASP 45 2HB ASP 45 -2.955 11.318 -2.083
349 HB3 ASP 45 1HB ASP 45 -3.095 11.749 -0.380
350 H ASP 46 H ASP 46 -1.063 11.260 1.435
351 HA ASP 46 HA ASP 46 -0.449 8.388 1.620
352 HB2 ASP 46 2HB ASP 46 0.871 10.054 2.900
353 HB3 ASP 46 1HB ASP 46 -0.590 10.573 3.730
354 H THR 47 H THR 47 -3.029 10.655 2.267
355 HA THR 47 HA THR 47 -4.561 8.784 3.842
356 HB THR 47 HB THR 47 -5.637 11.301 2.579
357 HG1 THR 47 1HG THR 47 -3.883 10.969 4.797
358 HG21 THR 47 3HG2 THR 47 -6.226 9.900 5.194
359 HG22 THR 47 1HG2 THR 47 -7.244 9.861 3.753
360 HG23 THR 47 2HG2 THR 47 -7.001 11.377 4.622
361 H VAL 48 H VAL 48 -3.697 8.509 0.870
362 HA VAL 48 HA VAL 48 -6.250 7.316 0.019
363 HB VAL 48 HB VAL 48 -3.904 8.065 -1.750
364 HG11 VAL 48 1HG1 VAL 48 -5.429 7.599 -3.607
365 HG12 VAL 48 2HG1 VAL 48 -6.675 7.106 -2.458
366 HG13 VAL 48 3HG1 VAL 48 -5.183 6.174 -2.597
367 HG21 VAL 48 3HG2 VAL 48 -5.323 9.862 -2.615
368 HG22 VAL 48 1HG2 VAL 48 -4.999 10.068 -0.892
369 HG23 VAL 48 2HG2 VAL 48 -6.564 9.455 -1.429
370 H ARG 49 H ARG 49 -3.020 6.891 0.981
371 HA ARG 49 HA ARG 49 -2.309 4.483 -0.320
372 HB2 ARG 49 2HB ARG 49 -1.347 5.808 2.204
373 HB3 ARG 49 1HB ARG 49 -0.590 4.393 1.573
374 HG2 ARG 49 2HG ARG 49 -0.089 5.563 -0.493
375 HG3 ARG 49 1HG ARG 49 -0.906 6.972 0.155
376 HD2 ARG 49 2HD ARG 49 0.768 6.973 2.025
377 HD3 ARG 49 1HD ARG 49 1.636 5.727 1.132
378 HE ARG 49 HE ARG 49 1.435 7.590 -0.732
379 HH11 ARG 49 1HH1 ARG 49 2.261 7.967 2.648
380 HH12 ARG 49 2HH1 ARG 49 3.350 9.292 2.356
381 HH21 ARG 49 1HH2 ARG 49 2.841 9.326 -1.119
382 HH22 ARG 49 2HH2 ARG 49 3.682 10.069 0.214
383 H GLU 50 H GLU 50 -3.623 5.134 2.898
384 HA GLU 50 HA GLU 50 -3.887 2.315 3.356
385 HB2 GLU 50 2HB GLU 50 -5.232 3.375 5.327
386 HB3 GLU 50 1HB GLU 50 -3.596 3.002 5.396
387 HG2 GLU 50 2HG GLU 50 -4.179 5.008 6.287
388 HG3 GLU 50 1HG GLU 50 -2.960 5.187 5.182
389 H SER 51 H SER 51 -5.867 4.677 1.995
390 HA SER 51 HA SER 51 -8.173 2.957 2.089
391 HB2 SER 51 2HB SER 51 -7.477 4.998 -0.056
392 HB3 SER 51 1HB SER 51 -9.077 4.335 0.282
393 HG SER 51 HG SER 51 -8.592 5.264 2.522
394 H LEU 52 H LEU 52 -5.198 2.538 0.691
395 HA LEU 52 HA LEU 52 -5.964 1.324 -1.680
396 HB2 LEU 52 2HB LEU 52 -3.366 1.407 -0.344
397 HB3 LEU 52 1HB LEU 52 -3.586 0.728 -1.906
398 HG LEU 52 HG LEU 52 -4.048 3.604 -1.149
399 HD11 LEU 52 1HD1 LEU 52 -2.377 4.125 -2.815
400 HD12 LEU 52 2HD1 LEU 52 -2.151 2.405 -3.134
401 HD13 LEU 52 3HD1 LEU 52 -1.732 3.073 -1.557
402 HD21 LEU 52 3HD2 LEU 52 -4.710 4.013 -3.463
403 HD22 LEU 52 1HD2 LEU 52 -5.821 2.916 -2.642
404 HD23 LEU 52 2HD2 LEU 52 -4.639 2.280 -3.784
405 H PHE 53 H PHE 53 -5.059 0.349 1.112
406 HA PHE 53 HA PHE 53 -4.248 -2.235 0.414
407 HB2 PHE 53 2HB PHE 53 -3.102 -1.431 2.100
408 HB3 PHE 53 1HB PHE 53 -4.098 0.037 1.741
409 HD1 PHE 53 1HD PHE 53 -3.954 -3.062 3.926
410 HD2 PHE 53 2HD PHE 53 -5.353 0.877 3.390
411 HE1 PHE 53 1HE PHE 53 -4.824 -3.101 6.228
412 HE2 PHE 53 2HE PHE 53 -6.252 0.875 5.706
413 HZ PHE 53 HZ PHE 53 -5.983 -1.119 7.125
414 H GLU 54 H GLU 54 -6.854 -0.616 2.065
415 HA GLU 54 HA GLU 54 -8.371 -2.744 3.053
416 HB2 GLU 54 2HB GLU 54 -9.882 -0.627 1.623
417 HB3 GLU 54 1HB GLU 54 -10.104 -1.261 3.245
418 HG2 GLU 54 2HG GLU 54 -7.998 -0.031 3.871
419 HG3 GLU 54 1HG GLU 54 -8.136 0.770 2.304
420 H GLU 55 H GLU 55 -8.281 -1.344 -0.195
421 HA GLU 55 HA GLU 55 -10.308 -3.034 -1.246
422 HB2 GLU 55 2HB GLU 55 -8.207 -1.299 -2.520
423 HB3 GLU 55 1HB GLU 55 -9.293 -2.285 -3.489
424 HG2 GLU 55 2HG GLU 55 -10.195 -0.212 -1.506
425 HG3 GLU 55 1HG GLU 55 -10.003 0.073 -3.236
426 H TRP 56 H TRP 56 -6.742 -3.181 -1.570
427 HA TRP 56 HA TRP 56 -6.742 -5.451 -3.221
428 HB2 TRP 56 2HB TRP 56 -4.852 -4.193 -3.329
429 HB3 TRP 56 1HB TRP 56 -4.693 -4.131 -1.598
430 HD1 TRP 56 HD TRP 56 -3.953 -6.722 -4.234
431 HE1 TRP 56 1HE TRP 56 -2.226 -8.387 -3.304
432 HE3 TRP 56 3HE TRP 56 -3.492 -4.290 -0.642
433 HZ2 TRP 56 2HZ TRP 56 -0.572 -8.186 -0.880
434 HZ3 TRP 56 3HZ TRP 56 -1.826 -4.613 0.521
435 HH2 TRP 56 HH TRP 56 -0.357 -6.522 0.829
436 H CYS 57 H CYS 57 -7.213 -5.057 0.017
437 HA CYS 57 HA CYS 57 -6.201 -7.446 1.141
438 HB2 CYS 57 2HB CYS 57 -6.760 -5.508 2.538
439 HB3 CYS 57 1HB CYS 57 -8.463 -5.681 2.124
440 HG CYS 57 HG CYS 57 -8.233 -6.604 4.710
441 H GLY 58 H GLY 58 -9.423 -6.447 0.008
442 HA2 GLY 58 2HA GLY 58 -10.203 -9.305 -0.089
443 HA3 GLY 58 1HA GLY 58 -11.341 -7.984 0.162
444 H GLU 59 H GLU 59 -8.704 -7.676 -1.996
445 HA GLU 59 HA GLU 59 -10.449 -6.965 -4.153
446 HB2 GLU 59 2HB GLU 59 -7.883 -6.282 -3.308
447 HB3 GLU 59 1HB GLU 59 -7.607 -7.238 -4.787
448 HG2 GLU 59 2HG GLU 59 -9.084 -4.650 -4.466
449 HG3 GLU 59 1HG GLU 59 -7.732 -5.029 -5.526
Start of MODEL 15
1 H1 ASP 5 H ASP 5 -6.945 7.658 -9.277
2 HA ASP 5 HA ASP 5 -9.802 8.010 -9.127
3 HB2 ASP 5 2HB ASP 5 -9.190 9.653 -10.907
4 HB3 ASP 5 1HB ASP 5 -8.477 8.335 -11.835
5 H ILE 6 H ILE 6 -9.022 6.049 -8.124
6 HA ILE 6 HA ILE 6 -8.282 3.888 -8.049
7 HB ILE 6 HB ILE 6 -9.959 2.348 -9.009
8 HG12 ILE 6 2HG1 ILE 6 -11.364 4.920 -9.784
9 HG13 ILE 6 1HG1 ILE 6 -10.713 3.734 -10.909
10 HG21 ILE 6 1HG2 ILE 6 -10.912 4.614 -7.268
11 HG22 ILE 6 2HG2 ILE 6 -10.081 3.153 -6.736
12 HG23 ILE 6 3HG2 ILE 6 -11.706 3.046 -7.413
13 HD11 ILE 6 3HD1 ILE 6 -12.309 2.080 -10.069
14 HD12 ILE 6 1HD1 ILE 6 -13.115 3.512 -10.709
15 HD13 ILE 6 2HD1 ILE 6 -12.968 3.288 -8.966
16 H ASP 7 H ASP 7 -6.424 3.665 -8.958
17 HA ASP 7 HA ASP 7 -6.122 2.086 -11.160
18 HB2 ASP 7 2HB ASP 7 -6.473 3.968 -12.569
19 HB3 ASP 7 1HB ASP 7 -5.309 4.862 -11.596
20 H GLU 8 H GLU 8 -4.896 4.242 -9.730
21 HA GLU 8 HA GLU 8 -2.141 3.570 -9.423
22 HB2 GLU 8 2HB GLU 8 -1.925 5.469 -7.969
23 HB3 GLU 8 1HB GLU 8 -3.029 5.907 -9.263
24 HG2 GLU 8 2HG GLU 8 -3.811 5.119 -6.463
25 HG3 GLU 8 1HG GLU 8 -3.777 6.761 -7.107
26 H ARG 9 H ARG 9 -4.971 3.006 -7.520
27 HA ARG 9 HA ARG 9 -3.944 2.229 -5.077
28 HB2 ARG 9 2HB ARG 9 -6.039 0.997 -4.814
29 HB3 ARG 9 1HB ARG 9 -6.326 2.522 -5.629
30 HG2 ARG 9 2HG ARG 9 -6.402 1.353 -7.780
31 HG3 ARG 9 1HG ARG 9 -6.173 -0.171 -6.937
32 HD2 ARG 9 2HD ARG 9 -8.260 0.226 -5.705
33 HD3 ARG 9 1HD ARG 9 -8.514 1.704 -6.628
34 HE ARG 9 HE ARG 9 -8.927 0.389 -8.555
35 HH11 ARG 9 1HH1 ARG 9 -8.423 -1.489 -5.650
36 HH12 ARG 9 2HH1 ARG 9 -9.012 -2.975 -6.326
37 HH21 ARG 9 1HH2 ARG 9 -9.778 -1.533 -9.453
38 HH22 ARG 9 2HH2 ARG 9 -9.822 -2.985 -8.503
39 H ASN 10 H ASN 10 -4.507 0.217 -7.924
40 HA ASN 10 HA ASN 10 -3.837 -2.288 -6.773
41 HB2 ASN 10 2HB ASN 10 -3.586 -1.406 -9.689
42 HB3 ASN 10 1HB ASN 10 -3.631 -3.069 -9.112
43 HD21 ASN 10 1HD2 ASN 10 -5.470 -0.157 -9.620
44 HD22 ASN 10 2HD2 ASN 10 -7.038 -0.862 -9.393
45 H ILE 11 H ILE 11 -1.858 0.281 -8.048
46 HA ILE 11 HA ILE 11 0.556 -1.048 -8.318
47 HB ILE 11 HB ILE 11 0.059 1.724 -7.213
48 HG12 ILE 11 2HG1 ILE 11 0.825 0.803 -9.993
49 HG13 ILE 11 1HG1 ILE 11 -0.778 1.347 -9.506
50 HG21 ILE 11 1HG2 ILE 11 2.401 2.189 -7.785
51 HG22 ILE 11 2HG2 ILE 11 2.620 0.496 -8.228
52 HG23 ILE 11 3HG2 ILE 11 2.263 0.929 -6.556
53 HD11 ILE 11 3HD1 ILE 11 0.429 3.092 -10.691
54 HD12 ILE 11 1HD1 ILE 11 1.727 3.015 -9.499
55 HD13 ILE 11 2HD1 ILE 11 0.121 3.561 -9.018
56 H PHE 12 H PHE 12 -0.975 0.284 -5.359
57 HA PHE 12 HA PHE 12 1.324 -0.349 -3.787
58 HB2 PHE 12 2HB PHE 12 -1.384 0.747 -3.225
59 HB3 PHE 12 1HB PHE 12 -0.471 0.085 -1.879
60 HD1 PHE 12 1HD PHE 12 0.673 1.991 -4.865
61 HD2 PHE 12 2HD PHE 12 0.218 1.974 -0.611
62 HE1 PHE 12 1HE PHE 12 1.896 4.109 -4.712
63 HE2 PHE 12 2HE PHE 12 1.450 4.084 -0.480
64 HZ PHE 12 HZ PHE 12 2.285 5.158 -2.526
65 H PHE 13 H PHE 13 -1.982 -1.871 -3.750
66 HA PHE 13 HA PHE 13 -1.893 -4.424 -2.376
67 HB2 PHE 13 2HB PHE 13 -2.186 -4.332 -5.062
68 HB3 PHE 13 1HB PHE 13 -3.120 -5.073 -4.020
69 HD1 PHE 13 2HD PHE 13 -3.289 -1.893 -2.855
70 HD2 PHE 13 1HD PHE 13 -4.532 -4.278 -6.146
71 HE1 PHE 13 2HE PHE 13 -5.278 -0.481 -3.148
72 HE2 PHE 13 1HE PHE 13 -6.523 -2.895 -6.411
73 HZ PHE 13 HZ PHE 13 -6.900 -1.009 -4.914
74 H GLU 14 H GLU 14 -0.443 -3.603 -5.641
75 HA GLU 14 HA GLU 14 0.661 -6.230 -5.874
76 HB2 GLU 14 2HB GLU 14 1.127 -3.728 -7.492
77 HB3 GLU 14 1HB GLU 14 1.941 -5.249 -7.835
78 HG2 GLU 14 2HG GLU 14 -0.354 -6.291 -8.000
79 HG3 GLU 14 1HG GLU 14 -0.998 -4.650 -7.974
80 H LEU 15 H LEU 15 2.017 -3.064 -5.053
81 HA LEU 15 HA LEU 15 4.602 -4.029 -4.387
82 HB2 LEU 15 2HB LEU 15 3.262 -1.839 -2.835
83 HB3 LEU 15 1HB LEU 15 4.949 -2.006 -3.243
84 HG LEU 15 HG LEU 15 2.714 -1.154 -5.035
85 HD11 LEU 15 1HD1 LEU 15 3.508 0.562 -3.530
86 HD12 LEU 15 2HD1 LEU 15 4.003 0.925 -5.184
87 HD13 LEU 15 3HD1 LEU 15 5.172 0.268 -4.036
88 HD21 LEU 15 3HD2 LEU 15 4.417 -0.881 -6.792
89 HD22 LEU 15 1HD2 LEU 15 4.246 -2.568 -6.309
90 HD23 LEU 15 2HD2 LEU 15 5.618 -1.622 -5.733
91 H PHE 16 H PHE 16 1.417 -4.136 -2.894
92 HA PHE 16 HA PHE 16 2.412 -4.355 -0.246
93 HB2 PHE 16 2HB PHE 16 -0.074 -4.333 -1.800
94 HB3 PHE 16 1HB PHE 16 -0.168 -4.891 -0.183
95 HD1 PHE 16 1HD PHE 16 2.068 -2.280 0.123
96 HD2 PHE 16 2HD PHE 16 -2.105 -2.975 -0.845
97 HE1 PHE 16 1HE PHE 16 1.473 -0.013 0.874
98 HE2 PHE 16 2HE PHE 16 -2.611 -0.728 -0.083
99 HZ PHE 16 HZ PHE 16 -0.877 0.749 0.758
100 H ASP 17 H ASP 17 1.487 -6.418 -2.891
101 HA ASP 17 HA ASP 17 1.658 -8.848 -1.364
102 HB2 ASP 17 2HB ASP 17 0.345 -8.582 -3.520
103 HB3 ASP 17 1HB ASP 17 1.891 -8.566 -4.360
104 H ARG 18 H ARG 18 3.660 -7.092 -3.617
105 HA ARG 18 HA ARG 18 5.864 -8.803 -3.707
106 HB2 ARG 18 2HB ARG 18 5.479 -6.860 -5.212
107 HB3 ARG 18 1HB ARG 18 5.880 -5.782 -3.881
108 HG2 ARG 18 2HG ARG 18 8.124 -6.762 -3.785
109 HG3 ARG 18 1HG ARG 18 7.715 -7.794 -5.155
110 HD2 ARG 18 2HD ARG 18 7.272 -5.764 -6.496
111 HD3 ARG 18 1HD ARG 18 7.800 -4.783 -5.129
112 HE ARG 18 HE ARG 18 9.550 -6.686 -6.568
113 HH11 ARG 18 1HH1 ARG 18 9.042 -3.658 -4.861
114 HH12 ARG 18 2HH1 ARG 18 10.680 -3.117 -5.077
115 HH21 ARG 18 1HH2 ARG 18 11.702 -5.955 -6.853
116 HH22 ARG 18 2HH2 ARG 18 12.175 -4.415 -6.201
117 H TYR 19 H TYR 19 4.823 -6.557 -1.261
118 HA TYR 19 HA TYR 19 7.349 -6.997 0.203
119 HB2 TYR 19 2HB TYR 19 5.226 -4.859 0.480
120 HB3 TYR 19 1HB TYR 19 6.488 -5.109 1.679
121 HD1 TYR 19 1HD TYR 19 6.339 -4.788 -2.058
122 HD2 TYR 19 2HD TYR 19 8.190 -3.580 1.572
123 HE1 TYR 19 1HE TYR 19 7.802 -3.275 -3.320
124 HE2 TYR 19 2HE TYR 19 9.665 -2.066 0.319
125 HH TYR 19 HH TYR 19 9.104 -1.147 -2.828
126 H LYS 20 H LYS 20 4.711 -8.530 -0.230
127 HA LYS 20 HA LYS 20 3.155 -9.734 0.903
128 HB2 LYS 20 2HB LYS 20 4.177 -11.344 2.471
129 HB3 LYS 20 1HB LYS 20 5.101 -11.166 0.988
130 HG2 LYS 20 2HG LYS 20 6.701 -9.734 2.153
131 HG3 LYS 20 1HG LYS 20 5.769 -9.903 3.641
132 HD2 LYS 20 2HD LYS 20 6.135 -12.375 3.488
133 HD3 LYS 20 1HD LYS 20 7.233 -12.068 2.141
134 HE2 LYS 20 2HE LYS 20 7.526 -11.008 4.951
135 HE3 LYS 20 1HE LYS 20 8.454 -12.329 4.241
136 HZ1 LYS 20 3HZ LYS 20 9.400 -10.789 2.654
137 HZ2 LYS 20 1HZ LYS 20 9.669 -10.220 4.229
138 HZ3 LYS 20 2HZ LYS 20 8.466 -9.518 3.269
139 H LEU 21 H LEU 21 2.022 -7.686 1.679
140 HA LEU 21 HA LEU 21 2.674 -6.883 4.376
141 HB2 LEU 21 2HB LEU 21 0.445 -6.234 2.478
142 HB3 LEU 21 1HB LEU 21 0.531 -5.583 4.096
143 HG LEU 21 HG LEU 21 1.276 -4.182 2.140
144 HD11 LEU 21 1HD1 LEU 21 1.624 -3.500 4.422
145 HD12 LEU 21 2HD1 LEU 21 3.040 -3.088 3.455
146 HD13 LEU 21 3HD1 LEU 21 3.076 -4.495 4.516
147 HD21 LEU 21 3HD2 LEU 21 3.659 -4.275 1.586
148 HD22 LEU 21 1HD2 LEU 21 2.785 -5.702 1.034
149 HD23 LEU 21 2HD2 LEU 21 3.785 -5.787 2.484
150 H ASP 22 H ASP 22 1.113 -6.868 6.052
151 HA ASP 22 HA ASP 22 -0.810 -9.077 5.927
152 HB2 ASP 22 2HB ASP 22 0.268 -7.441 8.212
153 HB3 ASP 22 1HB ASP 22 -1.170 -8.439 8.397
154 H LYS 23 H LYS 23 -2.178 -8.323 4.632
155 HA LYS 23 HA LYS 23 -2.869 -5.598 4.334
156 HB2 LYS 23 2HB LYS 23 -3.193 -7.840 2.828
157 HB3 LYS 23 1HB LYS 23 -4.848 -7.460 3.303
158 HG2 LYS 23 2HG LYS 23 -3.106 -6.096 1.408
159 HG3 LYS 23 1HG LYS 23 -4.861 -5.946 1.665
160 HD2 LYS 23 2HD LYS 23 -4.197 -3.834 2.214
161 HD3 LYS 23 1HD LYS 23 -4.021 -4.593 3.797
162 HE2 LYS 23 2HE LYS 23 -1.604 -5.134 2.634
163 HE3 LYS 23 1HE LYS 23 -1.990 -3.548 1.961
164 HZ1 LYS 23 3HZ LYS 23 -2.357 -2.739 4.239
165 HZ2 LYS 23 1HZ LYS 23 -0.769 -3.262 3.979
166 HZ3 LYS 23 2HZ LYS 23 -1.849 -4.233 4.844
167 H PHE 24 H PHE 24 -4.189 -8.191 6.277
168 HA PHE 24 HA PHE 24 -6.717 -6.849 6.764
169 HB2 PHE 24 2HB PHE 24 -5.581 -9.446 7.815
170 HB3 PHE 24 1HB PHE 24 -7.188 -8.843 8.195
171 HD1 PHE 24 1HD PHE 24 -5.028 -10.099 5.477
172 HD2 PHE 24 2HD PHE 24 -8.986 -9.121 6.699
173 HE1 PHE 24 1HE PHE 24 -5.918 -11.220 3.477
174 HE2 PHE 24 2HE PHE 24 -9.883 -10.237 4.697
175 HZ PHE 24 HZ PHE 24 -8.350 -11.287 3.083
176 H SER 25 H SER 25 -3.657 -7.249 8.381
177 HA SER 25 HA SER 25 -4.561 -7.123 11.042
178 HB2 SER 25 2HB SER 25 -2.362 -8.023 10.385
179 HB3 SER 25 1HB SER 25 -1.832 -6.403 9.947
180 HG SER 25 HG SER 25 -1.824 -7.578 12.349
181 H THR 26 H THR 26 -2.447 -4.601 9.701
182 HA THR 26 HA THR 26 -4.262 -2.496 10.673
183 HB THR 26 HB THR 26 -1.936 -1.382 11.401
184 HG1 THR 26 1HG THR 26 -1.150 -3.506 12.724
185 HG21 THR 26 3HG2 THR 26 -2.490 -1.962 13.730
186 HG22 THR 26 1HG2 THR 26 -3.564 -3.244 13.164
187 HG23 THR 26 2HG2 THR 26 -3.940 -1.558 12.810
188 H TRP 27 H TRP 27 -3.925 -0.592 9.844
189 HA TRP 27 HA TRP 27 -3.065 -0.590 7.135
190 HB2 TRP 27 2HB TRP 27 -4.614 1.120 7.624
191 HB3 TRP 27 1HB TRP 27 -3.767 1.587 9.097
192 HD1 TRP 27 HD TRP 27 -2.862 4.012 8.615
193 HE1 TRP 27 1HE TRP 27 -1.639 5.230 6.825
194 HE3 TRP 27 3HE TRP 27 -2.928 0.369 5.189
195 HZ2 TRP 27 2HZ TRP 27 -0.924 4.814 4.314
196 HZ3 TRP 27 3HZ TRP 27 -2.000 0.949 2.982
197 HH2 TRP 27 HH TRP 27 -1.154 3.191 2.665
198 H SER 28 H SER 28 -1.722 0.751 10.128
199 HA SER 28 HA SER 28 0.459 1.630 8.579
200 HB2 SER 28 2HB SER 28 1.442 2.271 10.625
201 HB3 SER 28 1HB SER 28 0.169 3.221 9.959
202 HG SER 28 HG SER 28 -0.237 2.966 12.182
203 H LEU 29 H LEU 29 0.163 -1.052 10.868
204 HA LEU 29 HA LEU 29 2.878 -1.496 11.258
205 HB2 LEU 29 2HB LEU 29 0.992 -2.977 12.089
206 HB3 LEU 29 1HB LEU 29 0.905 -3.660 10.479
207 HG LEU 29 HG LEU 29 3.254 -4.435 10.716
208 HD11 LEU 29 1HD1 LEU 29 4.261 -4.466 12.943
209 HD12 LEU 29 2HD1 LEU 29 2.919 -3.506 13.564
210 HD13 LEU 29 3HD1 LEU 29 4.015 -2.817 12.366
211 HD21 LEU 29 3HD2 LEU 29 2.741 -6.273 12.245
212 HD22 LEU 29 1HD2 LEU 29 1.391 -5.937 11.160
213 HD23 LEU 29 2HD2 LEU 29 1.335 -5.389 12.836
214 H GLN 30 H GLN 30 0.895 -1.614 8.543
215 HA GLN 30 HA GLN 30 2.938 -2.655 6.732
216 HB2 GLN 30 2HB GLN 30 0.208 -1.525 6.082
217 HB3 GLN 30 1HB GLN 30 1.287 -2.348 4.968
218 HG2 GLN 30 2HG GLN 30 -0.520 -3.449 6.976
219 HG3 GLN 30 1HG GLN 30 -0.037 -4.101 5.459
220 HE21 GLN 30 1HE2 GLN 30 -0.234 -5.219 8.236
221 HE22 GLN 30 2HE2 GLN 30 1.295 -5.982 8.504
222 H SER 31 H SER 31 1.200 0.373 7.305
223 HA SER 31 HA SER 31 2.754 1.739 5.416
224 HB2 SER 31 2HB SER 31 1.484 3.749 5.978
225 HB3 SER 31 1HB SER 31 0.535 2.392 5.424
226 HG SER 31 HG SER 31 -0.369 3.374 7.261
227 H LYS 32 H LYS 32 2.774 2.031 8.919
228 HA LYS 32 HA LYS 32 4.843 3.974 8.890
229 HB2 LYS 32 2HB LYS 32 5.265 3.383 11.214
230 HB3 LYS 32 1HB LYS 32 3.538 3.513 10.935
231 HG2 LYS 32 2HG LYS 32 3.437 1.032 10.787
232 HG3 LYS 32 1HG LYS 32 5.136 0.973 11.247
233 HD2 LYS 32 2HD LYS 32 2.855 2.109 12.868
234 HD3 LYS 32 1HD LYS 32 3.745 0.622 13.196
235 HE2 LYS 32 2HE LYS 32 4.974 3.373 13.155
236 HE3 LYS 32 1HE LYS 32 4.424 2.553 14.615
237 HZ1 LYS 32 3HZ LYS 32 6.438 1.375 12.786
238 HZ2 LYS 32 1HZ LYS 32 6.068 0.904 14.370
239 HZ3 LYS 32 2HZ LYS 32 6.861 2.376 14.086
240 H LYS 33 H LYS 33 4.639 0.883 7.820
241 HA LYS 33 HA LYS 33 7.519 0.364 8.140
242 HB2 LYS 33 2HB LYS 33 6.978 -1.779 8.406
243 HB3 LYS 33 1HB LYS 33 5.288 -1.342 8.291
244 HG2 LYS 33 2HG LYS 33 5.662 -3.141 6.803
245 HG3 LYS 33 1HG LYS 33 5.454 -1.695 5.816
246 HD2 LYS 33 2HD LYS 33 7.933 -1.518 5.717
247 HD3 LYS 33 1HD LYS 33 8.033 -3.092 6.503
248 HE2 LYS 33 2HE LYS 33 6.994 -4.167 4.666
249 HE3 LYS 33 1HE LYS 33 6.503 -2.628 3.957
250 HZ1 LYS 33 3HZ LYS 33 9.296 -3.609 4.227
251 HZ2 LYS 33 1HZ LYS 33 8.842 -2.102 3.582
252 HZ3 LYS 33 2HZ LYS 33 8.399 -3.534 2.795
253 H ILE 34 H ILE 34 5.032 0.388 5.519
254 HA ILE 34 HA ILE 34 7.017 0.295 3.460
255 HB ILE 34 HB ILE 34 5.308 0.604 1.842
256 HG12 ILE 34 2HG1 ILE 34 3.063 1.148 3.773
257 HG13 ILE 34 1HG1 ILE 34 4.143 2.466 3.349
258 HG21 ILE 34 1HG2 ILE 34 3.676 -1.125 2.417
259 HG22 ILE 34 2HG2 ILE 34 4.213 -1.052 4.096
260 HG23 ILE 34 3HG2 ILE 34 5.328 -1.576 2.834
261 HD11 ILE 34 3HD1 ILE 34 2.171 2.379 1.927
262 HD12 ILE 34 1HD1 ILE 34 2.593 0.739 1.430
263 HD13 ILE 34 2HD1 ILE 34 3.639 2.090 0.989
264 H GLU 35 H GLU 35 6.034 2.629 5.527
265 HA GLU 35 HA GLU 35 6.080 5.060 4.364
266 HB2 GLU 35 2HB GLU 35 6.050 4.498 6.833
267 HB3 GLU 35 1HB GLU 35 7.806 4.403 6.744
268 HG2 GLU 35 2HG GLU 35 7.559 6.770 5.677
269 HG3 GLU 35 1HG GLU 35 6.026 6.735 6.499
270 H ASN 36 H ASN 36 9.052 4.053 5.834
271 HA ASN 36 HA ASN 36 10.852 5.508 4.384
272 HB2 ASN 36 2HB ASN 36 11.023 3.075 6.022
273 HB3 ASN 36 1HB ASN 36 12.342 3.282 4.876
274 HD21 ASN 36 1HD2 ASN 36 10.603 5.919 6.426
275 HD22 ASN 36 2HD2 ASN 36 11.943 6.470 7.372
276 H ASP 37 H ASP 37 9.290 2.578 3.333
277 HA ASP 37 HA ASP 37 11.123 1.891 1.271
278 HB2 ASP 37 2HB ASP 37 8.179 1.255 1.626
279 HB3 ASP 37 1HB ASP 37 9.163 0.622 0.309
280 HA PRO 38 HA PRO 38 9.693 4.640 -2.005
281 HB2 PRO 38 2HB PRO 38 10.052 3.023 -4.162
282 HB3 PRO 38 1HB PRO 38 11.389 3.848 -3.352
283 HG2 PRO 38 2HG PRO 38 10.475 1.010 -3.089
284 HG3 PRO 38 1HG PRO 38 12.125 1.653 -3.181
285 HD2 PRO 38 2HD PRO 38 10.960 0.919 -0.840
286 HD3 PRO 38 1HD PRO 38 12.163 2.218 -0.949
287 H ASP 39 H ASP 39 8.225 2.006 -0.795
288 HA ASP 39 HA ASP 39 6.219 1.324 -2.677
289 HB2 ASP 39 2HB ASP 39 7.036 0.031 -0.610
290 HB3 ASP 39 1HB ASP 39 6.024 1.114 0.332
291 H PHE 40 H PHE 40 6.195 3.319 0.270
292 HA PHE 40 HA PHE 40 3.632 4.439 0.081
293 HB2 PHE 40 2HB PHE 40 6.114 5.014 1.436
294 HB3 PHE 40 1HB PHE 40 5.343 6.498 0.921
295 HD1 PHE 40 1HD PHE 40 2.761 4.056 1.742
296 HD2 PHE 40 2HD PHE 40 5.627 6.789 3.381
297 HE1 PHE 40 1HE PHE 40 1.592 4.048 3.863
298 HE2 PHE 40 2HE PHE 40 4.413 6.759 5.502
299 HZ PHE 40 HZ PHE 40 2.439 5.360 5.728
300 H TYR 41 H TYR 41 6.661 5.413 -1.441
301 HA TYR 41 HA TYR 41 5.665 8.017 -2.105
302 HB2 TYR 41 2HB TYR 41 8.297 6.654 -2.662
303 HB3 TYR 41 1HB TYR 41 7.936 8.310 -3.149
304 HD1 TYR 41 2HD TYR 41 7.101 9.883 -1.228
305 HD2 TYR 41 1HD TYR 41 9.274 6.283 -0.587
306 HE1 TYR 41 2HE TYR 41 7.770 10.691 0.994
307 HE2 TYR 41 1HE TYR 41 9.948 7.081 1.641
308 HH TYR 41 HH TYR 41 10.229 9.341 2.784
309 H LYS 42 H LYS 42 4.915 5.245 -3.538
310 HA LYS 42 HA LYS 42 5.221 6.063 -6.276
311 HB2 LYS 42 2HB LYS 42 3.526 3.916 -4.994
312 HB3 LYS 42 1HB LYS 42 3.596 4.193 -6.731
313 HG2 LYS 42 2HG LYS 42 5.881 3.390 -4.941
314 HG3 LYS 42 1HG LYS 42 5.075 2.388 -6.150
315 HD2 LYS 42 2HD LYS 42 5.896 3.736 -7.931
316 HD3 LYS 42 1HD LYS 42 6.477 4.969 -6.811
317 HE2 LYS 42 2HE LYS 42 8.076 3.306 -5.897
318 HE3 LYS 42 1HE LYS 42 7.547 2.170 -7.139
319 HZ1 LYS 42 3HZ LYS 42 8.632 4.853 -7.777
320 HZ2 LYS 42 1HZ LYS 42 8.385 3.559 -8.840
321 HZ3 LYS 42 2HZ LYS 42 9.612 3.476 -7.669
322 H ILE 43 H ILE 43 2.958 6.526 -3.716
323 HA ILE 43 HA ILE 43 1.448 8.354 -5.458
324 HB ILE 43 HB ILE 43 0.319 6.675 -3.206
325 HG12 ILE 43 2HG1 ILE 43 -0.291 6.670 -6.172
326 HG13 ILE 43 1HG1 ILE 43 0.649 5.448 -5.322
327 HG21 ILE 43 1HG2 ILE 43 -0.670 8.896 -3.196
328 HG22 ILE 43 2HG2 ILE 43 -1.842 7.703 -3.757
329 HG23 ILE 43 3HG2 ILE 43 -1.036 8.759 -4.915
330 HD11 ILE 43 3HD1 ILE 43 -2.255 6.081 -4.858
331 HD12 ILE 43 1HD1 ILE 43 -1.315 4.857 -4.005
332 HD13 ILE 43 2HD1 ILE 43 -1.616 4.690 -5.735
333 H ARG 44 H ARG 44 1.500 10.398 -4.770
334 HA ARG 44 HA ARG 44 3.035 11.171 -2.531
335 HB2 ARG 44 2HB ARG 44 2.264 13.461 -3.054
336 HB3 ARG 44 1HB ARG 44 2.820 12.607 -4.488
337 HG2 ARG 44 2HG ARG 44 0.625 12.276 -5.270
338 HG3 ARG 44 1HG ARG 44 -0.076 12.728 -3.718
339 HD2 ARG 44 2HD ARG 44 0.832 15.026 -4.065
340 HD3 ARG 44 1HD ARG 44 1.313 14.526 -5.691
341 HE ARG 44 HE ARG 44 -1.485 14.145 -4.940
342 HH11 ARG 44 1HH1 ARG 44 0.899 16.128 -6.603
343 HH12 ARG 44 2HH1 ARG 44 -0.269 16.833 -7.688
344 HH21 ARG 44 1HH2 ARG 44 -3.010 15.100 -6.359
345 HH22 ARG 44 2HH2 ARG 44 -2.483 16.258 -7.540
346 H ASP 45 H ASP 45 -0.453 10.976 -3.059
347 HA ASP 45 HA ASP 45 -1.083 12.278 -0.590
348 HB2 ASP 45 2HB ASP 45 -2.774 10.844 -2.635
349 HB3 ASP 45 1HB ASP 45 -3.443 11.564 -1.174
350 H ASP 46 H ASP 46 -0.609 11.294 1.223
351 HA ASP 46 HA ASP 46 -0.534 8.482 1.612
352 HB2 ASP 46 2HB ASP 46 0.750 10.172 2.947
353 HB3 ASP 46 1HB ASP 46 -0.759 10.650 3.716
354 H THR 47 H THR 47 -3.035 10.839 1.788
355 HA THR 47 HA THR 47 -4.835 9.365 3.439
356 HB THR 47 HB THR 47 -5.062 11.783 3.237
357 HG1 THR 47 1HG THR 47 -7.149 10.074 2.484
358 HG21 THR 47 3HG2 THR 47 -5.770 11.262 0.346
359 HG22 THR 47 1HG2 THR 47 -4.307 12.055 0.928
360 HG23 THR 47 2HG2 THR 47 -5.879 12.818 1.169
361 H VAL 48 H VAL 48 -3.764 8.860 0.315
362 HA VAL 48 HA VAL 48 -6.216 7.435 -0.452
363 HB VAL 48 HB VAL 48 -3.785 8.083 -2.138
364 HG11 VAL 48 1HG1 VAL 48 -5.155 7.363 -4.036
365 HG12 VAL 48 2HG1 VAL 48 -6.446 6.903 -2.926
366 HG13 VAL 48 3HG1 VAL 48 -4.900 6.051 -2.885
367 HG21 VAL 48 3HG2 VAL 48 -5.239 9.700 -3.268
368 HG22 VAL 48 1HG2 VAL 48 -5.031 10.091 -1.560
369 HG23 VAL 48 2HG2 VAL 48 -6.526 9.340 -2.119
370 H ARG 49 H ARG 49 -2.925 7.083 0.497
371 HA ARG 49 HA ARG 49 -2.235 4.583 -0.528
372 HB2 ARG 49 2HB ARG 49 -1.401 5.904 2.053
373 HB3 ARG 49 1HB ARG 49 -0.614 4.517 1.395
374 HG2 ARG 49 2HG ARG 49 0.018 5.798 -0.582
375 HG3 ARG 49 1HG ARG 49 -0.788 7.209 0.105
376 HD2 ARG 49 2HD ARG 49 0.725 7.105 2.044
377 HD3 ARG 49 1HD ARG 49 1.548 5.737 1.304
378 HE ARG 49 HE ARG 49 1.874 7.499 -0.611
379 HH11 ARG 49 1HH1 ARG 49 2.072 8.042 2.852
380 HH12 ARG 49 2HH1 ARG 49 3.288 9.275 2.703
381 HH21 ARG 49 1HH2 ARG 49 3.446 9.115 -0.801
382 HH22 ARG 49 2HH2 ARG 49 4.066 9.895 0.618
383 H GLU 50 H GLU 50 -3.741 5.304 2.654
384 HA GLU 50 HA GLU 50 -3.970 2.465 3.057
385 HB2 GLU 50 2HB GLU 50 -5.433 3.410 4.989
386 HB3 GLU 50 1HB GLU 50 -3.771 3.133 5.119
387 HG2 GLU 50 2HG GLU 50 -4.458 5.074 6.019
388 HG3 GLU 50 1HG GLU 50 -3.270 5.365 4.904
389 H SER 51 H SER 51 -5.955 4.788 1.650
390 HA SER 51 HA SER 51 -8.254 3.091 1.703
391 HB2 SER 51 2HB SER 51 -7.420 5.082 -0.430
392 HB3 SER 51 1HB SER 51 -9.014 4.337 -0.308
393 HG SER 51 HG SER 51 -7.956 5.703 1.910
394 H LEU 52 H LEU 52 -5.256 2.564 0.482
395 HA LEU 52 HA LEU 52 -5.882 1.233 -1.867
396 HB2 LEU 52 2HB LEU 52 -3.387 1.378 -0.346
397 HB3 LEU 52 1HB LEU 52 -3.464 0.720 -1.917
398 HG LEU 52 HG LEU 52 -3.893 3.575 -1.126
399 HD11 LEU 52 1HD1 LEU 52 -1.640 2.960 -1.697
400 HD12 LEU 52 2HD1 LEU 52 -2.321 4.065 -2.892
401 HD13 LEU 52 3HD1 LEU 52 -2.188 2.343 -3.256
402 HD21 LEU 52 3HD2 LEU 52 -4.665 4.088 -3.382
403 HD22 LEU 52 1HD2 LEU 52 -5.783 3.027 -2.528
404 HD23 LEU 52 2HD2 LEU 52 -4.706 2.365 -3.758
405 H PHE 53 H PHE 53 -5.016 0.413 0.987
406 HA PHE 53 HA PHE 53 -4.244 -2.212 0.458
407 HB2 PHE 53 2HB PHE 53 -3.130 -1.278 2.092
408 HB3 PHE 53 1HB PHE 53 -4.153 0.148 1.689
409 HD1 PHE 53 1HD PHE 53 -5.768 0.812 3.193
410 HD2 PHE 53 2HD PHE 53 -3.616 -2.708 4.058
411 HE1 PHE 53 1HE PHE 53 -6.699 0.821 5.492
412 HE2 PHE 53 2HE PHE 53 -4.518 -2.738 6.353
413 HZ PHE 53 HZ PHE 53 -6.071 -0.962 7.074
414 H GLU 54 H GLU 54 -6.888 -0.464 1.907
415 HA GLU 54 HA GLU 54 -8.460 -2.489 3.010
416 HB2 GLU 54 2HB GLU 54 -9.955 -0.589 1.302
417 HB3 GLU 54 1HB GLU 54 -10.225 -1.039 2.977
418 HG2 GLU 54 2HG GLU 54 -8.370 0.408 3.644
419 HG3 GLU 54 1HG GLU 54 -8.158 0.870 1.951
420 H GLU 55 H GLU 55 -8.217 -1.437 -0.373
421 HA GLU 55 HA GLU 55 -10.315 -3.217 -1.186
422 HB2 GLU 55 2HB GLU 55 -8.331 -1.632 -2.821
423 HB3 GLU 55 1HB GLU 55 -9.712 -2.501 -3.484
424 HG2 GLU 55 2HG GLU 55 -9.814 -0.194 -1.553
425 HG3 GLU 55 1HG GLU 55 -10.202 -0.141 -3.272
426 H TRP 56 H TRP 56 -6.782 -3.226 -1.724
427 HA TRP 56 HA TRP 56 -6.673 -5.542 -3.249
428 HB2 TRP 56 2HB TRP 56 -4.824 -4.197 -3.278
429 HB3 TRP 56 1HB TRP 56 -4.713 -4.193 -1.539
430 HD1 TRP 56 HD TRP 56 -3.969 -6.753 -4.201
431 HE1 TRP 56 1HE TRP 56 -2.242 -8.432 -3.287
432 HE3 TRP 56 3HE TRP 56 -3.450 -4.315 -0.598
433 HZ2 TRP 56 2HZ TRP 56 -0.559 -8.234 -0.889
434 HZ3 TRP 56 3HZ TRP 56 -1.756 -4.660 0.539
435 HH2 TRP 56 HH TRP 56 -0.299 -6.577 0.821
436 H CYS 57 H CYS 57 -7.163 -5.077 -0.011
437 HA CYS 57 HA CYS 57 -5.998 -7.376 1.200
438 HB2 CYS 57 2HB CYS 57 -6.433 -5.352 2.488
439 HB3 CYS 57 1HB CYS 57 -8.163 -5.510 2.200
440 HG CYS 57 HG CYS 57 -7.724 -8.269 3.492
441 H GLY 58 H GLY 58 -9.342 -6.444 0.446
442 HA2 GLY 58 2HA GLY 58 -10.109 -9.295 0.660
443 HA3 GLY 58 1HA GLY 58 -11.196 -7.953 1.024
444 H GLU 59 H GLU 59 -8.903 -8.420 -1.583
445 HA GLU 59 HA GLU 59 -10.953 -7.433 -3.390
446 HB2 GLU 59 2HB GLU 59 -8.541 -6.436 -3.076
447 HB3 GLU 59 1HB GLU 59 -8.069 -7.810 -4.118
448 HG2 GLU 59 2HG GLU 59 -9.683 -7.106 -5.831
449 HG3 GLU 59 1HG GLU 59 -10.116 -5.720 -4.837