NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
10553 |
1pxe   |
5901 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ARG 16 HN ARG 16 95.550 -10.794 -4.272
2 HA ARG 16 HA ARG 16 94.626 -11.253 -3.918
3 1HB ARG 16 HB2 ARG 16 95.594 -11.544 -3.697
4 2HB ARG 16 HB1 ARG 16 94.862 -11.209 -3.248
5 1HG ARG 16 HG1 ARG 16 95.540 -12.024 -3.715
6 2HG ARG 16 HG2 ARG 16 95.424 -11.970 -3.586
7 1HD ARG 16 HD2 ARG 16 96.001 -12.401 -4.052
8 2HD ARG 16 HD1 ARG 16 95.752 -12.632 -3.665
9 HE ARG 16 HE ARG 16 95.458 -13.299 -4.103
10 1HH1 ARG 16 HH11 ARG 16 96.206 -13.123 -3.913
11 2HH1 ARG 16 HH12 ARG 16 96.273 -13.903 -4.098
12 1HH2 ARG 16 HH21 ARG 16 95.547 -14.323 -4.346
13 2HH2 ARG 16 HH22 ARG 16 95.899 -14.584 -4.343
14 H GLU 17 HN GLU 17 93.450 -10.892 -2.789
15 HA GLU 17 HA GLU 17 92.343 -10.926 -1.818
16 1HB GLU 17 HB2 GLU 17 93.565 -10.757 -1.376
17 2HB GLU 17 HB1 GLU 17 92.417 -10.356 -0.870
18 1HG GLU 17 HG2 GLU 17 92.827 -10.987 -0.983
19 2HG GLU 17 HG1 GLU 17 93.369 -11.565 -1.145
20 H SER 18 HN SER 18 91.432 -9.207 -0.882
21 HA SER 18 HA SER 18 90.236 -8.623 -0.854
22 1HB SER 18 HB2 SER 18 90.310 -7.988 0.796
23 2HB SER 18 HB1 SER 18 90.065 -7.893 0.356
24 HG SER 18 HG SER 18 89.898 -8.204 0.909
25 H LYS 19 HN LYS 19 90.147 -7.024 -0.723
26 HA LYS 19 HA LYS 19 90.805 -6.113 -1.234
27 1HB LYS 19 HB2 LYS 19 89.411 -6.017 -1.795
28 2HB LYS 19 HB1 LYS 19 90.109 -5.878 -2.086
29 1HG LYS 19 HG2 LYS 19 90.091 -7.846 -1.902
30 2HG LYS 19 HG1 LYS 19 89.538 -7.803 -2.152
31 1HD LYS 19 HD2 LYS 19 90.123 -7.172 -2.608
32 2HD LYS 19 HD1 LYS 19 90.405 -7.672 -2.384
33 1HE LYS 19 HE2 LYS 19 89.725 -8.920 -2.934
34 2HE LYS 19 HE1 LYS 19 89.565 -8.566 -2.757
35 1HZ LYS 19 HZ1 LYS 19 89.690 -8.704 -2.947
36 2HZ LYS 19 HZ2 LYS 19 89.377 -8.871 -3.173
37 3HZ LYS 19 HZ3 LYS 19 89.499 -8.517 -2.953
38 H CYS 20 HN CYS 20 90.119 -3.773 -1.531
39 HA CYS 20 HA CYS 20 89.885 -2.660 1.066
40 1HB CYS 20 HB2 CYS 20 91.233 -1.634 -0.565
41 2HB CYS 20 HB1 CYS 20 89.908 -1.237 -1.453
42 HA PRO 21 HA PRO 21 85.923 -1.559 -0.875
43 1HB PRO 21 HB2 PRO 21 85.123 -3.848 -1.226
44 2HB PRO 21 HB1 PRO 21 85.208 -2.858 -2.050
45 1HG PRO 21 HG2 PRO 21 86.737 -4.062 -2.046
46 2HG PRO 21 HG1 PRO 21 86.996 -3.125 -2.446
47 1HD PRO 21 HD2 PRO 21 88.405 -3.973 -1.078
48 2HD PRO 21 HD1 PRO 21 88.755 -3.002 -1.790
49 H THR 22 HN THR 22 85.829 -1.012 1.049
50 HA THR 22 HA THR 22 84.529 -2.733 2.563
51 HB THR 22 HB THR 22 85.253 -0.917 3.461
52 HG1 THR 22 HG1 THR 22 86.020 -0.939 3.220
53 1HG2 THR 22 HG21 THR 22 85.678 -1.003 4.246
54 2HG2 THR 22 HG22 THR 22 85.525 -1.051 4.086
55 3HG2 THR 22 HG23 THR 22 85.548 -1.115 4.266
56 HA PRO 23 HA PRO 23 80.500 -1.418 2.575
57 1HB PRO 23 HB2 PRO 23 80.640 -0.190 5.020
58 2HB PRO 23 HB1 PRO 23 79.650 -1.346 4.553
59 1HG PRO 23 HG2 PRO 23 81.668 -1.738 5.922
60 2HG PRO 23 HG1 PRO 23 81.012 -2.838 5.145
61 1HD PRO 23 HD2 PRO 23 83.368 -1.909 4.796
62 2HD PRO 23 HD1 PRO 23 82.726 -3.182 4.099
63 H GLY 24 HN GLY 24 82.698 0.698 3.255
64 1HA GLY 24 HA2 GLY 24 81.127 2.799 2.513
65 2HA GLY 24 HA1 GLY 24 82.516 2.949 3.385
66 H CYS 25 HN CYS 25 84.289 1.932 1.924
67 HA CYS 25 HA CYS 25 84.964 3.673 -0.015
68 1HB CYS 25 HB2 CYS 25 86.711 2.263 1.080
69 2HB CYS 25 HB1 CYS 25 86.091 0.900 0.178
70 H ASP 26 HN ASP 26 85.172 3.421 -2.317
71 HA ASP 26 HA ASP 26 83.000 1.817 -3.381
72 1HB ASP 26 HB2 ASP 26 83.124 4.302 -3.741
73 2HB ASP 26 HB1 ASP 26 84.470 3.979 -4.803
74 H GLY 27 HN GLY 27 86.387 2.528 -3.863
75 1HA GLY 27 HA2 GLY 27 88.014 1.054 -4.645
76 2HA GLY 27 HA1 GLY 27 86.747 -0.040 -5.110
77 H THR 28 HN THR 28 87.326 3.265 -5.912
78 HA THR 28 HA THR 28 87.970 2.680 -8.604
79 HB THR 28 HB THR 28 85.317 3.274 -7.809
80 HG1 THR 28 HG1 THR 28 85.587 2.411 -9.715
81 1HG2 THR 28 HG21 THR 28 85.925 5.229 -9.285
82 2HG2 THR 28 HG22 THR 28 85.666 5.376 -8.755
83 3HG2 THR 28 HG23 THR 28 85.322 5.174 -9.215
84 H GLY 29 HN GLY 29 89.443 4.122 -8.758
85 1HA GLY 29 HA2 GLY 29 90.241 6.316 -9.327
86 2HA GLY 29 HA1 GLY 29 89.392 6.824 -7.891
87 H HIS 30 HN HIS 30 91.369 4.100 -7.954
88 HA HIS 30 HA HIS 30 92.911 3.590 -6.177
89 1HB HIS 30 HB2 HIS 30 93.601 3.818 -8.671
90 2HB HIS 30 HB1 HIS 30 94.613 5.088 -8.080
91 HD2 HIS 30 HD2 HIS 30 94.150 1.223 -7.645
92 HE1 HIS 30 HE1 HIS 30 98.143 2.287 -6.814
93 HE2 HIS 30 HE2 HIS 30 96.512 0.380 -7.047
94 H VAL 31 HN VAL 31 95.280 4.777 -5.659
95 HA VAL 31 HA VAL 31 94.680 6.605 -3.642
96 HB VAL 31 HB VAL 31 96.695 5.219 -3.621
97 1HG1 VAL 31 HG11 VAL 31 97.923 6.305 -5.467
98 2HG1 VAL 31 HG12 VAL 31 97.756 6.093 -5.681
99 3HG1 VAL 31 HG13 VAL 31 97.979 5.971 -5.458
100 1HG2 VAL 31 HG21 VAL 31 97.443 7.710 -3.130
101 2HG2 VAL 31 HG22 VAL 31 97.687 7.110 -2.634
102 3HG2 VAL 31 HG23 VAL 31 96.926 7.400 -2.578
103 H THR 32 HN THR 32 95.604 7.267 -6.981
104 HA THR 32 HA THR 32 95.287 10.104 -6.352
105 HB THR 32 HB THR 32 97.239 10.319 -7.367
106 HG1 THR 32 HG1 THR 32 97.163 9.739 -8.677
107 1HG2 THR 32 HG21 THR 32 98.259 8.826 -7.639
108 2HG2 THR 32 HG22 THR 32 98.051 8.459 -7.458
109 3HG2 THR 32 HG23 THR 32 98.033 8.897 -7.263
110 H GLY 33 HN GLY 33 93.707 7.696 -7.709
111 1HA GLY 33 HA2 GLY 33 92.007 7.593 -9.221
112 2HA GLY 33 HA1 GLY 33 92.127 9.333 -9.318
113 H LEU 34 HN LEU 34 95.025 7.739 -9.866
114 HA LEU 34 HA LEU 34 94.799 8.302 -12.712
115 1HB LEU 34 HB2 LEU 34 97.281 7.812 -11.133
116 2HB LEU 34 HB1 LEU 34 97.173 8.380 -12.779
117 HG LEU 34 HG LEU 34 95.959 9.856 -10.521
118 1HD1 LEU 34 HD11 LEU 34 98.264 10.589 -10.635
119 2HD1 LEU 34 HD12 LEU 34 98.455 10.307 -10.886
120 3HD1 LEU 34 HD13 LEU 34 98.300 10.185 -10.510
121 1HD2 LEU 34 HD21 LEU 34 96.047 11.061 -12.581
122 2HD2 LEU 34 HD22 LEU 34 95.964 10.884 -12.718
123 3HD2 LEU 34 HD23 LEU 34 96.201 10.944 -12.721
124 H TYR 35 HN TYR 35 94.284 5.847 -10.753
125 HA TYR 35 HA TYR 35 95.464 3.899 -12.611
126 1HB TYR 35 HB2 TYR 35 94.678 3.379 -9.766
127 2HB TYR 35 HB1 TYR 35 95.506 2.273 -10.829
128 HD1 TYR 35 HD1 TYR 35 96.035 5.806 -9.825
129 HD2 TYR 35 HD2 TYR 35 97.682 1.929 -10.130
130 HE1 TYR 35 HE1 TYR 35 98.171 6.656 -8.978
131 HE2 TYR 35 HE2 TYR 35 99.827 2.761 -9.302
132 HH TYR 35 HH TYR 35 100.598 5.178 -8.255
133 HA PRO 36 HA PRO 36 91.370 2.621 -13.530
134 1HB PRO 36 HB2 PRO 36 91.794 -0.116 -13.715
135 2HB PRO 36 HB1 PRO 36 92.004 0.995 -14.965
136 1HG PRO 36 HG2 PRO 36 93.867 -0.308 -13.557
137 2HG PRO 36 HG1 PRO 36 94.048 0.580 -14.836
138 1HD PRO 36 HD2 PRO 36 94.853 1.098 -12.354
139 2HD PRO 36 HD1 PRO 36 95.071 2.051 -13.745
140 H HIS 37 HN HIS 37 91.756 3.038 -10.772
141 HA HIS 37 HA HIS 37 90.397 2.712 -8.947
142 1HB HIS 37 HB2 HIS 37 89.777 -0.106 -9.741
143 2HB HIS 37 HB1 HIS 37 88.864 0.981 -8.720
144 HD2 HIS 37 HD2 HIS 37 88.546 3.422 -10.861
145 HE1 HIS 37 HE1 HIS 37 86.718 0.482 -13.230
146 HE2 HIS 37 HE2 HIS 37 87.031 2.936 -12.891
147 H HIS 38 HN HIS 38 90.373 0.809 -7.212
148 HA HIS 38 HA HIS 38 93.043 -0.374 -7.144
149 1HB HIS 38 HB2 HIS 38 93.317 0.231 -4.782
150 2HB HIS 38 HB1 HIS 38 93.212 1.646 -5.816
151 HD1 HIS 38 HD1 HIS 38 91.141 3.165 -5.528
152 HD2 HIS 38 HD2 HIS 38 91.289 -0.088 -2.970
153 HE1 HIS 38 HE1 HIS 38 89.342 3.561 -3.768
154 H ARG 39 HN ARG 39 91.436 -1.310 -6.113
155 HA ARG 39 HA ARG 39 89.692 -2.730 -5.160
156 1HB ARG 39 HB2 ARG 39 90.773 -3.864 -6.704
157 2HB ARG 39 HB1 ARG 39 90.442 -4.374 -6.267
158 1HG ARG 39 HG2 ARG 39 89.900 -4.121 -6.709
159 2HG ARG 39 HG1 ARG 39 89.806 -3.792 -6.987
160 1HD ARG 39 HD2 ARG 39 89.998 -4.313 -7.990
161 2HD ARG 39 HD1 ARG 39 89.836 -4.905 -7.654
162 HE ARG 39 HE ARG 39 89.127 -3.971 -8.069
163 1HH1 ARG 39 HH11 ARG 39 89.045 -5.527 -8.574
164 2HH1 ARG 39 HH12 ARG 39 88.253 -5.823 -9.273
165 1HH2 ARG 39 HH21 ARG 39 88.087 -4.360 -8.987
166 2HH2 ARG 39 HH22 ARG 39 87.709 -5.161 -9.507
167 H SER 40 HN SER 40 92.354 -2.137 -3.922
168 HA SER 40 HA SER 40 91.889 -3.773 -2.099
169 1HB SER 40 HB2 SER 40 93.316 -5.072 -2.734
170 2HB SER 40 HB1 SER 40 92.973 -5.071 -3.406
171 HG SER 40 HG SER 40 93.649 -4.585 -3.535
172 H LEU 41 HN LEU 41 92.764 -1.083 -2.212
173 HA LEU 41 HA LEU 41 93.838 0.131 -0.779
174 1HB LEU 41 HB2 LEU 41 95.490 -1.773 0.017
175 2HB LEU 41 HB1 LEU 41 95.050 -0.682 0.742
176 HG LEU 41 HG LEU 41 93.112 -2.210 -0.031
177 1HD1 LEU 41 HD11 LEU 41 94.643 -3.464 1.056
178 2HD1 LEU 41 HD12 LEU 41 94.597 -3.451 1.067
179 3HD1 LEU 41 HD13 LEU 41 94.461 -3.450 1.103
180 1HD2 LEU 41 HD21 LEU 41 93.317 -1.611 1.859
181 2HD2 LEU 41 HD22 LEU 41 93.105 -1.483 1.959
182 3HD2 LEU 41 HD23 LEU 41 93.456 -1.425 1.988
183 H SER 42 HN SER 42 95.855 -1.260 -2.279
184 HA SER 42 HA SER 42 98.057 -0.345 -2.341
185 1HB SER 42 HB2 SER 42 97.504 -1.026 -4.526
186 2HB SER 42 HB1 SER 42 97.957 -1.490 -4.233
187 HG SER 42 HG SER 42 97.307 -2.053 -4.222
188 H GLY 43 HN GLY 43 95.321 0.991 -3.534
189 1HA GLY 43 HA2 GLY 43 96.677 3.402 -4.261
190 2HA GLY 43 HA1 GLY 43 95.303 2.830 -5.119
191 H CYS 44 HN CYS 44 93.296 2.910 -4.228
192 HA CYS 44 HA CYS 44 91.612 4.010 -3.117
193 1HB CYS 44 HB2 CYS 44 92.618 2.352 -1.447
194 2HB CYS 44 HB1 CYS 44 93.178 3.774 -0.645
195 HA PRO 45 HA PRO 45 93.288 8.109 -2.710
196 1HB PRO 45 HB2 PRO 45 91.522 9.357 -4.054
197 2HB PRO 45 HB1 PRO 45 92.591 8.246 -4.872
198 1HG PRO 45 HG2 PRO 45 89.824 7.909 -4.115
199 2HG PRO 45 HG1 PRO 45 90.685 7.326 -5.517
200 1HD PRO 45 HD2 PRO 45 90.112 5.928 -3.228
201 2HD PRO 45 HD1 PRO 45 91.190 5.427 -4.520
202 H HIS 46 HN HIS 46 91.147 6.942 -0.990
203 HA HIS 46 HA HIS 46 89.708 9.319 -0.321
204 1HB HIS 46 HB2 HIS 46 89.334 6.647 0.962
205 2HB HIS 46 HB1 HIS 46 88.198 7.974 0.882
206 HD2 HIS 46 HD2 HIS 46 88.698 4.724 -0.717
207 HE1 HIS 46 HE1 HIS 46 86.771 7.056 -3.623
208 HE2 HIS 46 HE2 HIS 46 87.502 4.741 -2.991
209 H LYS 47 HN LYS 47 90.784 6.933 2.023
210 HA LYS 47 HA LYS 47 91.961 7.252 3.844
211 1HB LYS 47 HB2 LYS 47 93.192 8.385 2.997
212 2HB LYS 47 HB1 LYS 47 93.193 8.741 3.158
213 1HG LYS 47 HG2 LYS 47 93.477 8.967 3.358
214 2HG LYS 47 HG1 LYS 47 93.370 8.664 3.404
215 1HD LYS 47 HD2 LYS 47 94.809 9.443 3.072
216 2HD LYS 47 HD1 LYS 47 95.053 9.236 3.312
217 1HE LYS 47 HE2 LYS 47 95.451 9.400 2.991
218 2HE LYS 47 HE1 LYS 47 95.057 9.256 2.807
219 1HZ LYS 47 HZ1 LYS 47 96.519 9.817 2.647
220 2HZ LYS 47 HZ2 LYS 47 96.101 9.711 2.824
221 3HZ LYS 47 HZ3 LYS 47 96.276 9.907 2.689
222 H ASP 48 HN ASP 48 89.745 7.580 4.599
223 HA ASP 48 HA ASP 48 90.157 9.557 5.992
224 1HB ASP 48 HB2 ASP 48 88.903 9.697 4.279
225 2HB ASP 48 HB1 ASP 48 87.841 9.219 5.470
226 H ARG 49 HN ARG 49 89.733 6.995 6.288
227 HA ARG 49 HA ARG 49 88.993 5.558 7.870
228 1HB ARG 49 HB2 ARG 49 89.564 6.679 9.355
229 2HB ARG 49 HB1 ARG 49 89.666 7.173 9.223
230 1HG ARG 49 HG2 ARG 49 89.049 7.483 9.635
231 2HG ARG 49 HG1 ARG 49 89.221 7.105 9.929
232 1HD ARG 49 HD2 ARG 49 89.697 7.611 10.985
233 2HD ARG 49 HD1 ARG 49 89.816 7.670 10.699
234 HE ARG 49 HE ARG 49 88.995 7.808 10.918
235 1HH1 ARG 49 HH11 ARG 49 90.262 8.484 11.519
236 2HH1 ARG 49 HH12 ARG 49 90.279 9.046 12.130
237 1HH2 ARG 49 HH21 ARG 49 89.017 8.549 11.724
238 2HH2 ARG 49 HH22 ARG 49 89.573 9.083 12.248
239 H VAL 50 HN VAL 50 86.956 5.637 7.628
240 HA VAL 50 HA VAL 50 85.077 5.029 8.711
241 HB VAL 50 HB VAL 50 84.430 7.255 8.306
242 1HG1 VAL 50 HG11 VAL 50 83.237 6.873 9.179
243 2HG1 VAL 50 HG12 VAL 50 83.555 7.189 9.565
244 3HG1 VAL 50 HG13 VAL 50 83.372 6.682 9.813
245 1HG2 VAL 50 HG21 VAL 50 85.498 7.345 9.333
246 2HG2 VAL 50 HG22 VAL 50 85.362 7.147 9.296
247 3HG2 VAL 50 HG23 VAL 50 85.458 7.185 9.437
248 HA PRO 51 HA PRO 51 82.749 5.110 5.678
249 1HB PRO 51 HB2 PRO 51 82.733 6.971 4.658
250 2HB PRO 51 HB1 PRO 51 81.985 6.552 5.560
251 1HG PRO 51 HG2 PRO 51 83.560 7.624 6.284
252 2HG PRO 51 HG1 PRO 51 82.930 7.366 7.040
253 1HD PRO 51 HD2 PRO 51 84.635 7.020 7.427
254 2HD PRO 51 HD1 PRO 51 83.984 6.679 8.115
255 HA PRO 52 HA PRO 52 83.524 4.604 1.993
256 1HB PRO 52 HB2 PRO 52 83.190 6.863 0.806
257 2HB PRO 52 HB1 PRO 52 82.155 5.601 0.976
258 1HG PRO 52 HG2 PRO 52 82.161 7.692 2.062
259 2HG PRO 52 HG1 PRO 52 81.134 6.640 2.211
260 1HD PRO 52 HD2 PRO 52 82.517 7.383 3.845
261 2HD PRO 52 HD1 PRO 52 81.442 6.216 3.982
262 H GLU 53 HN GLU 53 85.803 4.469 2.779
263 HA GLU 53 HA GLU 53 87.450 6.077 1.149
264 1HB GLU 53 HB2 GLU 53 87.797 6.242 3.915
265 2HB GLU 53 HB1 GLU 53 88.686 6.777 3.076
266 1HG GLU 53 HG2 GLU 53 87.412 7.966 3.384
267 2HG GLU 53 HG1 GLU 53 87.275 7.882 3.119
268 H ILE 54 HN ILE 54 88.947 4.710 3.828
269 HA ILE 54 HA ILE 54 89.655 2.317 2.365
270 HB ILE 54 HB ILE 54 91.824 3.261 3.997
271 1HG1 ILE 54 HG12 ILE 54 91.051 4.870 1.589
272 2HG1 ILE 54 HG11 ILE 54 91.174 5.427 3.228
273 1HG2 ILE 54 HG21 ILE 54 92.309 1.966 2.084
274 2HG2 ILE 54 HG22 ILE 54 92.393 2.252 1.883
275 3HG2 ILE 54 HG23 ILE 54 92.097 2.063 1.811
276 1HD1 ILE 54 HD11 ILE 54 93.391 5.025 2.151
277 2HD1 ILE 54 HD12 ILE 54 93.362 5.253 2.401
278 3HD1 ILE 54 HD13 ILE 54 93.281 5.340 2.082
279 H LEU 55 HN LEU 55 88.304 3.442 5.016
280 HA LEU 55 HA LEU 55 88.910 2.642 7.204
281 1HB LEU 55 HB2 LEU 55 87.118 2.745 6.759
282 2HB LEU 55 HB1 LEU 55 86.800 1.848 6.333
283 HG LEU 55 HG LEU 55 86.925 1.377 7.841
284 1HD1 LEU 55 HD11 LEU 55 86.140 1.943 8.260
285 2HD1 LEU 55 HD12 LEU 55 86.406 1.779 8.435
286 3HD1 LEU 55 HD13 LEU 55 86.280 1.806 8.333
287 1HD2 LEU 55 HD21 LEU 55 85.882 1.557 7.860
288 2HD2 LEU 55 HD22 LEU 55 85.820 1.254 7.984
289 3HD2 LEU 55 HD23 LEU 55 85.690 1.343 7.679
290 H ALA 56 HN ALA 56 89.150 1.169 5.319
291 HA ALA 56 HA ALA 56 89.690 -0.573 6.529
292 1HB ALA 56 HB1 ALA 56 89.276 -1.349 5.968
293 2HB ALA 56 HB2 ALA 56 89.126 -0.984 5.759
294 3HB ALA 56 HB3 ALA 56 89.088 -0.959 5.877
295 H MET 57 HN MET 57 90.852 -0.396 5.515
296 HA MET 57 HA MET 57 91.594 -2.290 4.720
297 1HB MET 57 HB2 MET 57 92.751 -0.561 4.792
298 2HB MET 57 HB1 MET 57 93.452 -1.480 5.316
299 1HG MET 57 HG2 MET 57 92.900 -1.877 3.226
300 2HG MET 57 HG1 MET 57 93.302 -1.006 3.025
301 1HE MET 57 HE1 MET 57 94.546 -2.009 3.733
302 2HE MET 57 HE2 MET 57 94.408 -2.381 3.436
303 3HE MET 57 HE3 MET 57 94.355 -2.169 3.377
304 H HIS 58 HN HIS 58 93.067 -2.890 6.555
305 HA HIS 58 HA HIS 58 92.647 -3.602 7.991
306 1HB HIS 58 HB2 HIS 58 93.766 -4.383 7.477
307 2HB HIS 58 HB1 HIS 58 93.941 -4.415 8.080
308 HD2 HIS 58 HD2 HIS 58 93.585 -4.248 7.676
309 HE1 HIS 58 HE1 HIS 58 93.759 -5.482 7.514
310 HE2 HIS 58 HE2 HIS 58 93.641 -4.973 7.522
311 H GLU 59 HN GLU 59 94.007 -2.886 8.710
312 HA GLU 59 HA GLU 59 94.524 -2.900 10.541
313 1HB GLU 59 HB2 GLU 59 95.617 -3.111 9.311
314 2HB GLU 59 HB1 GLU 59 95.919 -2.312 9.823
315 1HG GLU 59 HG2 GLU 59 96.327 -3.265 10.683
316 2HG GLU 59 HG1 GLU 59 96.245 -3.869 10.538
317 H ASN 60 HN ASN 60 94.474 -1.099 9.285
318 HA ASN 60 HA ASN 60 94.253 0.551 10.306
319 1HB ASN 60 HB2 ASN 60 95.404 0.123 9.408
320 2HB ASN 60 HB1 ASN 60 94.744 1.154 9.235
321 1HD2 ASN 60 HD21 ASN 60 95.746 0.719 9.754
322 2HD2 ASN 60 HD22 ASN 60 96.054 1.041 10.085
323 H VAL 61 HN VAL 61 92.988 1.363 10.171
324 HA VAL 61 HA VAL 61 91.648 2.375 8.556
325 HB VAL 61 HB VAL 61 90.653 2.486 10.064
326 1HG1 VAL 61 HG11 VAL 61 90.819 1.694 10.237
327 2HG1 VAL 61 HG12 VAL 61 90.574 1.452 9.856
328 3HG1 VAL 61 HG13 VAL 61 90.665 1.596 10.272
329 1HG2 VAL 61 HG21 VAL 61 91.316 2.268 10.856
330 2HG2 VAL 61 HG22 VAL 61 91.472 2.220 10.897
331 3HG2 VAL 61 HG23 VAL 61 91.260 2.489 11.003
332 H LEU 62 HN LEU 62 91.080 3.973 8.023
333 HA LEU 62 HA LEU 62 91.395 5.710 7.817
334 1HB LEU 62 HB2 LEU 62 91.811 5.957 9.833
335 2HB LEU 62 HB1 LEU 62 91.992 5.901 9.903
336 HG LEU 62 HG LEU 62 91.957 5.957 9.224
337 1HD1 LEU 62 HD11 LEU 62 91.926 6.614 10.293
338 2HD1 LEU 62 HD12 LEU 62 91.820 6.333 10.453
339 3HD1 LEU 62 HD13 LEU 62 91.959 6.668 10.181
340 1HD2 LEU 62 HD21 LEU 62 92.171 6.413 10.753
341 2HD2 LEU 62 HD22 LEU 62 91.935 6.532 10.404
342 3HD2 LEU 62 HD23 LEU 62 92.195 6.390 10.398
343 H LYS 63 HN LYS 63 93.588 5.012 8.484
344 HA LYS 63 HA LYS 63 94.972 5.200 7.491
345 1HB LYS 63 HB2 LYS 63 95.075 6.264 8.117
346 2HB LYS 63 HB1 LYS 63 95.899 5.989 8.428
347 1HG LYS 63 HG2 LYS 63 96.342 6.094 7.709
348 2HG LYS 63 HG1 LYS 63 96.202 6.322 7.422
349 1HD LYS 63 HD1 LYS 63 96.509 6.890 7.784
350 2HD LYS 63 HD2 LYS 63 96.564 6.721 7.719
351 1HE LYS 63 HE2 LYS 63 97.258 7.165 7.314
352 2HE LYS 63 HE1 LYS 63 97.222 7.200 7.658
353 1HZ LYS 63 HZ1 LYS 63 98.016 7.362 7.092
354 2HZ LYS 63 HZ2 LYS 63 97.947 7.406 7.515
355 3HZ LYS 63 HZ3 LYS 63 97.824 7.484 7.204
Start of MODEL 2
1 H ARG 16 HN ARG 16 94.600 -9.752 -5.384
2 HA ARG 16 HA ARG 16 92.564 -9.469 -4.309
3 1HB ARG 16 HB2 ARG 16 91.128 -11.550 -4.836
4 2HB ARG 16 HB1 ARG 16 91.832 -10.645 -6.167
5 1HG ARG 16 HG2 ARG 16 93.089 -12.370 -6.833
6 2HG ARG 16 HG1 ARG 16 93.522 -12.821 -5.185
7 1HD ARG 16 HD2 ARG 16 92.271 -14.634 -5.874
8 2HD ARG 16 HD1 ARG 16 91.077 -13.652 -5.028
9 HE ARG 16 HE ARG 16 91.175 -13.069 -7.821
10 1HH1 ARG 16 1HH1 ARG 16 89.909 -15.304 -5.459
11 2HH1 ARG 16 2HH1 ARG 16 88.570 -15.785 -6.446
12 1HH2 ARG 16 1HH2 ARG 16 89.412 -13.700 -9.122
13 2HH2 ARG 16 2HH2 ARG 16 88.288 -14.875 -8.525
14 H GLU 17 HN GLU 17 92.737 -9.241 -2.129
15 HA GLU 17 HA GLU 17 92.251 -11.668 -0.547
16 1HB GLU 17 HB2 GLU 17 94.665 -10.459 -0.507
17 2HB GLU 17 HB1 GLU 17 93.850 -9.539 0.750
18 1HG GLU 17 HG2 GLU 17 94.070 -11.194 2.204
19 2HG GLU 17 HG1 GLU 17 93.368 -12.356 1.079
20 H SER 18 HN SER 18 90.061 -10.627 -1.049
21 HA SER 18 HA SER 18 88.172 -9.903 0.023
22 1HB SER 18 HB2 SER 18 89.594 -10.082 2.181
23 2HB SER 18 HB1 SER 18 89.770 -8.335 2.023
24 HG SER 18 HG SER 18 87.869 -8.187 2.877
25 H LYS 19 HN LYS 19 90.678 -7.966 -1.140
26 HA LYS 19 HA LYS 19 90.778 -5.950 -2.145
27 1HB LYS 19 HB2 LYS 19 87.780 -6.101 -2.392
28 2HB LYS 19 HB1 LYS 19 88.917 -5.280 -3.452
29 1HG LYS 19 HG2 LYS 19 89.760 -7.904 -3.522
30 2HG LYS 19 HG1 LYS 19 88.001 -8.030 -3.485
31 1HD LYS 19 HD2 LYS 19 88.476 -5.987 -5.289
32 2HD LYS 19 HD1 LYS 19 89.765 -7.147 -5.621
33 1HE LYS 19 HE2 LYS 19 88.041 -8.929 -5.772
34 2HE LYS 19 HE1 LYS 19 86.799 -7.691 -5.586
35 1HZ LYS 19 HZ1 LYS 19 87.796 -6.610 -7.600
36 2HZ LYS 19 HZ2 LYS 19 87.028 -8.090 -7.885
37 3HZ LYS 19 HZ3 LYS 19 88.716 -8.013 -7.823
38 H CYS 20 HN CYS 20 90.331 -3.694 -1.930
39 HA CYS 20 HA CYS 20 89.953 -2.918 0.792
40 1HB CYS 20 HB2 CYS 20 91.607 -1.784 -0.596
41 2HB CYS 20 HB1 CYS 20 90.336 -1.230 -1.685
42 HA PRO 21 HA PRO 21 86.038 -0.773 -1.437
43 1HB PRO 21 HB2 PRO 21 85.216 -3.374 -2.645
44 2HB PRO 21 HB1 PRO 21 84.929 -1.730 -3.225
45 1HG PRO 21 HG2 PRO 21 86.803 -3.258 -4.341
46 2HG PRO 21 HG1 PRO 21 87.065 -1.522 -4.098
47 1HD PRO 21 HD2 PRO 21 88.193 -3.831 -2.607
48 2HD PRO 21 HD1 PRO 21 88.915 -2.249 -2.946
49 H THR 22 HN THR 22 86.158 -1.139 0.976
50 HA THR 22 HA THR 22 84.720 -3.382 2.043
51 HB THR 22 HB THR 22 84.890 -1.624 4.086
52 HG1 THR 22 HG1 THR 22 85.808 0.055 3.065
53 1HG2 THR 22 1HG2 THR 22 86.342 -3.863 3.275
54 2HG2 THR 22 2HG2 THR 22 86.326 -3.108 4.869
55 3HG2 THR 22 3HG2 THR 22 87.532 -2.625 3.676
56 HA PRO 23 HA PRO 23 80.505 -2.079 2.507
57 1HB PRO 23 HB2 PRO 23 81.122 -1.187 5.303
58 2HB PRO 23 HB1 PRO 23 79.750 -2.130 4.705
59 1HG PRO 23 HG2 PRO 23 81.781 -3.328 5.947
60 2HG PRO 23 HG1 PRO 23 80.984 -4.087 4.557
61 1HD PRO 23 HD2 PRO 23 83.654 -2.812 4.740
62 2HD PRO 23 HD1 PRO 23 83.087 -4.097 3.657
63 H GLY 24 HN GLY 24 83.042 0.038 3.665
64 1HA GLY 24 HA2 GLY 24 81.408 2.415 3.206
65 2HA GLY 24 HA1 GLY 24 82.998 2.376 3.957
66 H CYS 25 HN CYS 25 84.824 1.665 2.429
67 HA CYS 25 HA CYS 25 85.081 3.482 0.370
68 1HB CYS 25 HB2 CYS 25 86.981 2.140 1.411
69 2HB CYS 25 HB1 CYS 25 86.480 0.797 0.369
70 H ASP 26 HN ASP 26 85.250 3.154 -1.990
71 HA ASP 26 HA ASP 26 83.151 1.311 -2.911
72 1HB ASP 26 HB2 ASP 26 82.919 3.858 -3.197
73 2HB ASP 26 HB1 ASP 26 84.164 3.702 -4.431
74 H GLY 27 HN GLY 27 86.362 2.598 -3.650
75 1HA GLY 27 HA2 GLY 27 88.140 1.312 -4.515
76 2HA GLY 27 HA1 GLY 27 86.981 0.119 -5.043
77 H THR 28 HN THR 28 87.611 3.507 -5.625
78 HA THR 28 HA THR 28 87.998 3.058 -8.408
79 HB THR 28 HB THR 28 85.440 3.803 -7.385
80 HG1 THR 28 HG1 THR 28 84.893 2.982 -9.238
81 1HG2 THR 28 1HG2 THR 28 85.964 6.112 -7.582
82 2HG2 THR 28 2HG2 THR 28 84.938 5.664 -8.945
83 3HG2 THR 28 3HG2 THR 28 86.674 5.870 -9.178
84 H GLY 29 HN GLY 29 89.456 4.443 -9.199
85 1HA GLY 29 HA2 GLY 29 90.493 6.513 -9.535
86 2HA GLY 29 HA1 GLY 29 89.680 7.138 -8.109
87 H HIS 30 HN HIS 30 91.352 4.121 -7.898
88 HA HIS 30 HA HIS 30 92.913 3.571 -6.217
89 1HB HIS 30 HB2 HIS 30 93.663 3.837 -8.681
90 2HB HIS 30 HB1 HIS 30 94.692 5.088 -8.064
91 HD2 HIS 30 HD2 HIS 30 94.173 1.215 -7.735
92 HE1 HIS 30 HE1 HIS 30 98.178 2.222 -6.821
93 HE2 HIS 30 HE2 HIS 30 96.501 0.332 -7.010
94 H VAL 31 HN VAL 31 95.381 4.786 -5.745
95 HA VAL 31 HA VAL 31 94.769 6.526 -3.623
96 HB VAL 31 HB VAL 31 96.807 5.200 -3.605
97 1HG1 VAL 31 1HG1 VAL 31 97.980 5.034 -5.486
98 2HG1 VAL 31 2HG1 VAL 31 98.635 6.632 -5.126
99 3HG1 VAL 31 3HG1 VAL 31 97.220 6.472 -6.166
100 1HG2 VAL 31 1HG2 VAL 31 98.200 7.705 -3.515
101 2HG2 VAL 31 2HG2 VAL 31 97.673 6.671 -2.186
102 3HG2 VAL 31 3HG2 VAL 31 96.581 7.891 -2.840
103 H THR 32 HN THR 32 95.660 7.317 -6.965
104 HA THR 32 HA THR 32 95.127 10.113 -6.253
105 HB THR 32 HB THR 32 97.493 10.033 -6.379
106 HG1 THR 32 HG1 THR 32 96.541 10.898 -8.904
107 1HG2 THR 32 1HG2 THR 32 98.727 9.163 -8.294
108 2HG2 THR 32 2HG2 THR 32 97.220 8.567 -8.991
109 3HG2 THR 32 3HG2 THR 32 97.813 7.898 -7.471
110 H GLY 33 HN GLY 33 93.633 7.874 -7.647
111 1HA GLY 33 HA2 GLY 33 92.158 7.698 -9.390
112 2HA GLY 33 HA1 GLY 33 92.310 9.436 -9.521
113 H LEU 34 HN LEU 34 95.219 7.715 -9.815
114 HA LEU 34 HA LEU 34 95.229 8.292 -12.684
115 1HB LEU 34 HB2 LEU 34 97.544 7.614 -10.888
116 2HB LEU 34 HB1 LEU 34 97.641 8.111 -12.572
117 HG LEU 34 HG LEU 34 96.348 9.807 -10.500
118 1HD1 LEU 34 1HD1 LEU 34 98.317 10.696 -9.785
119 2HD1 LEU 34 2HD1 LEU 34 99.103 10.472 -11.346
120 3HD1 LEU 34 3HD1 LEU 34 98.936 9.110 -10.239
121 1HD2 LEU 34 1HD2 LEU 34 97.433 11.473 -12.335
122 2HD2 LEU 34 2HD2 LEU 34 95.786 10.847 -12.410
123 3HD2 LEU 34 3HD2 LEU 34 97.070 10.065 -13.333
124 H TYR 35 HN TYR 35 94.359 5.872 -10.789
125 HA TYR 35 HA TYR 35 95.451 3.845 -12.645
126 1HB TYR 35 HB2 TYR 35 94.686 3.349 -9.782
127 2HB TYR 35 HB1 TYR 35 95.472 2.220 -10.865
128 HD1 TYR 35 HD1 TYR 35 96.144 5.758 -9.907
129 HD2 TYR 35 HD2 TYR 35 97.633 1.797 -10.124
130 HE1 TYR 35 HE1 TYR 35 98.323 6.548 -9.096
131 HE2 TYR 35 HE2 TYR 35 99.822 2.567 -9.326
132 HH TYR 35 HH TYR 35 100.808 5.654 -9.345
133 HA PRO 36 HA PRO 36 91.242 2.861 -13.513
134 1HB PRO 36 HB2 PRO 36 91.303 0.175 -13.904
135 2HB PRO 36 HB1 PRO 36 91.981 1.321 -15.066
136 1HG PRO 36 HG2 PRO 36 93.372 -0.319 -12.988
137 2HG PRO 36 HG1 PRO 36 93.861 0.023 -14.658
138 1HD PRO 36 HD2 PRO 36 94.901 1.326 -12.506
139 2HD PRO 36 HD1 PRO 36 94.747 2.073 -14.108
140 H HIS 37 HN HIS 37 91.733 3.197 -10.766
141 HA HIS 37 HA HIS 37 90.439 2.910 -8.894
142 1HB HIS 37 HB2 HIS 37 89.597 0.149 -9.695
143 2HB HIS 37 HB1 HIS 37 88.786 1.293 -8.643
144 HD2 HIS 37 HD2 HIS 37 88.124 3.750 -10.463
145 HE1 HIS 37 HE1 HIS 37 86.767 0.947 -13.326
146 HE2 HIS 37 HE2 HIS 37 86.574 3.335 -12.498
147 H HIS 38 HN HIS 38 90.378 1.021 -7.183
148 HA HIS 38 HA HIS 38 92.965 -0.368 -7.247
149 1HB HIS 38 HB2 HIS 38 93.369 0.179 -4.892
150 2HB HIS 38 HB1 HIS 38 93.264 1.638 -5.869
151 HD1 HIS 38 HD1 HIS 38 91.172 3.161 -5.497
152 HD2 HIS 38 HD2 HIS 38 91.541 -0.069 -2.925
153 HE1 HIS 38 HE1 HIS 38 89.423 3.509 -3.664
154 H ARG 39 HN ARG 39 92.328 -2.389 -7.441
155 HA ARG 39 HA ARG 39 89.901 -3.404 -6.392
156 1HB ARG 39 HB2 ARG 39 92.243 -5.067 -7.293
157 2HB ARG 39 HB1 ARG 39 90.535 -5.484 -7.333
158 1HG ARG 39 HG2 ARG 39 90.684 -3.192 -8.870
159 2HG ARG 39 HG1 ARG 39 92.153 -4.078 -9.283
160 1HD ARG 39 HD2 ARG 39 90.844 -6.052 -9.812
161 2HD ARG 39 HD1 ARG 39 89.366 -5.230 -9.317
162 HE ARG 39 HE ARG 39 90.814 -3.885 -11.409
163 1HH1 ARG 39 1HH1 ARG 39 88.409 -6.306 -10.679
164 2HH1 ARG 39 2HH1 ARG 39 87.646 -6.195 -12.230
165 1HH2 ARG 39 1HH2 ARG 39 89.812 -3.737 -13.449
166 2HH2 ARG 39 2HH2 ARG 39 88.443 -4.737 -13.803
167 H SER 40 HN SER 40 92.670 -2.655 -4.695
168 HA SER 40 HA SER 40 91.828 -3.857 -2.352
169 1HB SER 40 HB2 SER 40 93.443 -5.721 -2.090
170 2HB SER 40 HB1 SER 40 92.269 -6.012 -3.371
171 HG SER 40 HG SER 40 93.980 -5.089 -4.792
172 H LEU 41 HN LEU 41 92.744 -1.396 -2.417
173 HA LEU 41 HA LEU 41 94.172 -0.064 -1.269
174 1HB LEU 41 HB2 LEU 41 96.003 -2.371 -0.708
175 2HB LEU 41 HB1 LEU 41 95.720 -0.931 0.250
176 HG LEU 41 HG LEU 41 93.399 -2.743 -0.101
177 1HD1 LEU 41 1HD1 LEU 41 94.170 -4.527 1.003
178 2HD1 LEU 41 2HD1 LEU 41 95.146 -3.551 2.100
179 3HD1 LEU 41 3HD1 LEU 41 95.761 -3.958 0.498
180 1HD2 LEU 41 1HD2 LEU 41 92.682 -1.792 1.803
181 2HD2 LEU 41 2HD2 LEU 41 93.820 -0.531 1.332
182 3HD2 LEU 41 3HD2 LEU 41 94.292 -1.747 2.519
183 H SER 42 HN SER 42 97.014 -0.166 -1.177
184 HA SER 42 HA SER 42 98.816 0.398 -2.457
185 1HB SER 42 HB2 SER 42 97.444 -1.644 -4.106
186 2HB SER 42 HB1 SER 42 98.536 -0.572 -4.982
187 HG SER 42 HG SER 42 99.616 -2.418 -4.175
188 H GLY 43 HN GLY 43 95.718 1.378 -2.960
189 1HA GLY 43 HA2 GLY 43 96.545 3.662 -4.525
190 2HA GLY 43 HA1 GLY 43 95.210 2.697 -5.125
191 H CYS 44 HN CYS 44 93.264 2.823 -4.233
192 HA CYS 44 HA CYS 44 91.517 3.805 -3.088
193 1HB CYS 44 HB2 CYS 44 92.869 2.442 -1.315
194 2HB CYS 44 HB1 CYS 44 93.283 4.032 -0.686
195 HA PRO 45 HA PRO 45 92.772 8.180 -3.313
196 1HB PRO 45 HB2 PRO 45 90.640 9.096 -4.619
197 2HB PRO 45 HB1 PRO 45 91.861 8.129 -5.444
198 1HG PRO 45 HG2 PRO 45 89.153 7.348 -4.482
199 2HG PRO 45 HG1 PRO 45 90.026 6.811 -5.924
200 1HD PRO 45 HD2 PRO 45 89.821 5.421 -3.492
201 2HD PRO 45 HD1 PRO 45 90.960 5.068 -4.804
202 H HIS 46 HN HIS 46 91.344 7.047 -0.890
203 HA HIS 46 HA HIS 46 89.698 9.429 -0.363
204 1HB HIS 46 HB2 HIS 46 89.247 6.812 1.011
205 2HB HIS 46 HB1 HIS 46 88.143 8.160 0.787
206 HD2 HIS 46 HD2 HIS 46 88.858 4.799 -0.648
207 HE1 HIS 46 HE1 HIS 46 86.687 6.888 -3.602
208 HE2 HIS 46 HE2 HIS 46 87.690 4.659 -2.954
209 H LYS 47 HN LYS 47 90.555 7.048 2.137
210 HA LYS 47 HA LYS 47 91.919 7.191 3.952
211 1HB LYS 47 HB2 LYS 47 93.304 8.698 2.039
212 2HB LYS 47 HB1 LYS 47 93.249 9.715 3.471
213 1HG LYS 47 HG2 LYS 47 93.913 7.243 4.478
214 2HG LYS 47 HG1 LYS 47 94.787 7.312 2.947
215 1HD LYS 47 HD2 LYS 47 95.223 9.810 3.998
216 2HD LYS 47 HD1 LYS 47 95.232 8.785 5.433
217 1HE LYS 47 HE2 LYS 47 97.433 8.644 4.828
218 2HE LYS 47 HE1 LYS 47 96.780 7.273 3.934
219 1HZ LYS 47 HZ1 LYS 47 97.273 9.986 2.828
220 2HZ LYS 47 HZ2 LYS 47 96.639 8.675 1.967
221 3HZ LYS 47 HZ3 LYS 47 98.225 8.616 2.548
222 H ASP 48 HN ASP 48 89.630 7.707 4.732
223 HA ASP 48 HA ASP 48 89.856 10.054 6.422
224 1HB ASP 48 HB2 ASP 48 88.533 10.457 4.089
225 2HB ASP 48 HB1 ASP 48 87.210 9.922 5.121
226 H ARG 49 HN ARG 49 89.600 7.022 6.448
227 HA ARG 49 HA ARG 49 88.622 5.393 7.694
228 1HB ARG 49 HB2 ARG 49 88.376 5.861 9.983
229 2HB ARG 49 HB1 ARG 49 89.611 6.970 9.415
230 1HG ARG 49 HG2 ARG 49 88.327 8.807 9.766
231 2HG ARG 49 HG1 ARG 49 86.815 7.952 9.459
232 1HD ARG 49 HD2 ARG 49 86.974 6.841 11.609
233 2HD ARG 49 HD1 ARG 49 88.533 7.601 11.912
234 HE ARG 49 HE ARG 49 85.912 8.884 12.006
235 1HH1 ARG 49 1HH1 ARG 49 89.386 9.187 12.280
236 2HH1 ARG 49 2HH1 ARG 49 89.306 10.693 13.128
237 1HH2 ARG 49 1HH2 ARG 49 85.817 10.861 13.120
238 2HH2 ARG 49 2HH2 ARG 49 87.285 11.644 13.603
239 H VAL 50 HN VAL 50 86.614 4.991 9.248
240 HA VAL 50 HA VAL 50 84.479 4.209 8.853
241 HB VAL 50 HB VAL 50 84.224 7.098 9.642
242 1HG1 VAL 50 1HG1 VAL 50 81.953 6.655 10.333
243 2HG1 VAL 50 2HG1 VAL 50 82.079 4.978 9.802
244 3HG1 VAL 50 3HG1 VAL 50 82.101 6.282 8.616
245 1HG2 VAL 50 1HG2 VAL 50 83.906 6.156 11.864
246 2HG2 VAL 50 2HG2 VAL 50 85.445 5.647 11.170
247 3HG2 VAL 50 3HG2 VAL 50 84.081 4.529 11.207
248 HA PRO 51 HA PRO 51 81.915 6.627 5.533
249 1HB PRO 51 HB2 PRO 51 83.900 8.729 4.806
250 2HB PRO 51 HB1 PRO 51 82.140 8.805 4.818
251 1HG PRO 51 HG2 PRO 51 83.620 9.938 6.743
252 2HG PRO 51 HG1 PRO 51 82.038 9.211 7.075
253 1HD PRO 51 HD2 PRO 51 84.743 8.239 7.769
254 2HD PRO 51 HD1 PRO 51 83.184 7.930 8.547
255 HA PRO 52 HA PRO 52 83.742 4.424 2.189
256 1HB PRO 52 HB2 PRO 52 83.479 6.261 0.073
257 2HB PRO 52 HB1 PRO 52 82.315 5.018 0.530
258 1HG PRO 52 HG2 PRO 52 82.352 7.917 1.200
259 2HG PRO 52 HG1 PRO 52 80.969 6.847 0.900
260 1HD PRO 52 HD2 PRO 52 81.605 7.626 3.378
261 2HD PRO 52 HD1 PRO 52 81.017 5.980 3.058
262 H GLU 53 HN GLU 53 85.921 4.411 2.871
263 HA GLU 53 HA GLU 53 87.643 6.013 1.267
264 1HB GLU 53 HB2 GLU 53 87.537 6.301 4.242
265 2HB GLU 53 HB1 GLU 53 88.973 6.720 3.319
266 1HG GLU 53 HG2 GLU 53 88.029 8.755 3.286
267 2HG GLU 53 HG1 GLU 53 87.135 8.087 1.930
268 H ILE 54 HN ILE 54 88.963 4.871 4.187
269 HA ILE 54 HA ILE 54 89.795 2.327 3.048
270 HB ILE 54 HB ILE 54 92.122 3.550 4.217
271 1HG1 ILE 54 2HG1 ILE 54 91.110 4.974 1.743
272 2HG1 ILE 54 1HG1 ILE 54 91.071 5.652 3.367
273 1HG2 ILE 54 1HG2 ILE 54 91.357 1.998 1.866
274 2HG2 ILE 54 2HG2 ILE 54 92.767 1.869 2.913
275 3HG2 ILE 54 3HG2 ILE 54 92.740 3.064 1.618
276 1HD1 ILE 54 1HD1 ILE 54 92.973 6.458 2.062
277 2HD1 ILE 54 2HD1 ILE 54 93.553 4.802 1.897
278 3HD1 ILE 54 3HD1 ILE 54 93.488 5.558 3.488
279 H LEU 55 HN LEU 55 88.277 3.532 5.435
280 HA LEU 55 HA LEU 55 89.583 3.236 7.811
281 1HB LEU 55 HB2 LEU 55 87.321 3.918 7.834
282 2HB LEU 55 HB1 LEU 55 86.789 2.454 7.040
283 HG LEU 55 HG LEU 55 87.587 1.239 9.170
284 1HD1 LEU 55 1HD1 LEU 55 88.546 3.690 9.856
285 2HD1 LEU 55 2HD1 LEU 55 88.205 2.383 10.989
286 3HD1 LEU 55 3HD1 LEU 55 87.010 3.652 10.722
287 1HD2 LEU 55 1HD2 LEU 55 85.152 2.359 8.397
288 2HD2 LEU 55 2HD2 LEU 55 85.330 2.764 10.106
289 3HD2 LEU 55 3HD2 LEU 55 85.413 1.081 9.584
290 H ALA 56 HN ALA 56 88.664 0.766 5.613
291 HA ALA 56 HA ALA 56 89.577 -1.286 7.456
292 1HB ALA 56 HB1 ALA 56 88.399 -2.690 5.457
293 2HB ALA 56 HB2 ALA 56 87.442 -1.208 5.470
294 3HB ALA 56 HB3 ALA 56 87.594 -2.172 6.938
295 H MET 57 HN MET 57 91.549 0.187 6.184
296 HA MET 57 HA MET 57 92.458 -1.003 3.779
297 1HB MET 57 HB2 MET 57 93.158 1.240 4.943
298 2HB MET 57 HB1 MET 57 94.354 0.236 5.745
299 1HG MET 57 HG2 MET 57 95.246 -0.447 3.581
300 2HG MET 57 HG1 MET 57 94.039 0.545 2.769
301 1HE MET 57 HE1 MET 57 96.477 0.929 1.690
302 2HE MET 57 HE2 MET 57 97.336 2.423 2.064
303 3HE MET 57 HE3 MET 57 95.683 2.486 1.454
304 H HIS 58 HN HIS 58 94.326 -1.158 6.796
305 HA HIS 58 HA HIS 58 94.202 -3.849 7.346
306 1HB HIS 58 HB2 HIS 58 96.233 -4.773 6.324
307 2HB HIS 58 HB1 HIS 58 95.089 -4.262 5.091
308 HD2 HIS 58 HD2 HIS 58 95.947 -2.278 3.405
309 HE1 HIS 58 HE1 HIS 58 99.764 -1.842 5.177
310 HE2 HIS 58 HE2 HIS 58 98.239 -1.069 3.304
311 H GLU 59 HN GLU 59 96.646 -1.316 6.882
312 HA GLU 59 HA GLU 59 97.322 -1.538 9.729
313 1HB GLU 59 HB2 GLU 59 98.998 -2.626 8.021
314 2HB GLU 59 HB1 GLU 59 99.483 -0.960 7.739
315 1HG GLU 59 HG2 GLU 59 99.812 -0.776 10.240
316 2HG GLU 59 HG1 GLU 59 99.635 -2.530 10.293
317 H ASN 60 HN ASN 60 97.414 0.393 6.770
318 HA ASN 60 HA ASN 60 97.855 2.826 8.319
319 1HB ASN 60 HB2 ASN 60 98.705 2.032 5.809
320 2HB ASN 60 HB1 ASN 60 97.399 3.157 5.448
321 1HD2 ASN 60 1HD2 ASN 60 97.540 5.302 6.260
322 2HD2 ASN 60 2HD2 ASN 60 99.087 6.005 6.616
323 H VAL 61 HN VAL 61 95.418 1.535 8.812
324 HA VAL 61 HA VAL 61 93.296 2.647 7.269
325 HB VAL 61 HB VAL 61 91.832 1.886 9.120
326 1HG1 VAL 61 1HG1 VAL 61 93.558 -0.460 8.789
327 2HG1 VAL 61 2HG1 VAL 61 93.158 0.375 7.290
328 3HG1 VAL 61 3HG1 VAL 61 91.871 -0.218 8.339
329 1HG2 VAL 61 1HG2 VAL 61 93.738 2.333 10.834
330 2HG2 VAL 61 2HG2 VAL 61 94.217 0.679 10.456
331 3HG2 VAL 61 3HG2 VAL 61 92.612 1.004 11.110
332 H LEU 62 HN LEU 62 91.681 4.171 8.084
333 HA LEU 62 HA LEU 62 91.071 6.185 8.925
334 1HB LEU 62 HB2 LEU 62 92.942 5.317 11.119
335 2HB LEU 62 HB1 LEU 62 92.023 6.806 11.195
336 HG LEU 62 HG LEU 62 89.944 5.338 10.891
337 1HD1 LEU 62 1HD1 LEU 62 90.715 3.267 10.214
338 2HD1 LEU 62 2HD1 LEU 62 90.412 3.018 11.933
339 3HD1 LEU 62 3HD1 LEU 62 92.057 3.280 11.358
340 1HD2 LEU 62 1HD2 LEU 62 90.119 4.609 13.363
341 2HD2 LEU 62 2HD2 LEU 62 90.178 6.327 12.973
342 3HD2 LEU 62 3HD2 LEU 62 91.667 5.454 13.332
343 H LYS 63 HN LYS 63 94.383 6.298 10.173
344 HA LYS 63 HA LYS 63 95.074 8.281 8.127
345 1HB LYS 63 HB2 LYS 63 96.075 9.745 9.838
346 2HB LYS 63 HB1 LYS 63 94.339 9.573 10.052
347 1HG LYS 63 HG2 LYS 63 94.930 7.734 11.741
348 2HG LYS 63 HG1 LYS 63 96.558 8.417 11.696
349 1HD LYS 63 HD2 LYS 63 94.386 10.372 12.037
350 2HD LYS 63 HD1 LYS 63 94.596 9.242 13.376
351 1HE LYS 63 HE2 LYS 63 96.931 10.702 12.191
352 2HE LYS 63 HE1 LYS 63 95.911 11.457 13.414
353 1HZ LYS 63 HZ1 LYS 63 97.107 8.793 13.854
354 2HZ LYS 63 HZ2 LYS 63 96.526 9.893 15.000
355 3HZ LYS 63 HZ3 LYS 63 97.976 10.207 14.186
Start of MODEL 3
1 H ARG 16 HN ARG 16 93.609 -9.918 -1.678
2 HA ARG 16 HA ARG 16 95.217 -12.145 -0.701
3 1HB ARG 16 HB2 ARG 16 96.212 -9.513 -0.729
4 2HB ARG 16 HB1 ARG 16 95.753 -9.825 0.938
5 1HG ARG 16 HG2 ARG 16 97.854 -10.636 1.032
6 2HG ARG 16 HG1 ARG 16 97.064 -12.096 0.437
7 1HD ARG 16 HD2 ARG 16 97.695 -10.459 -1.798
8 2HD ARG 16 HD1 ARG 16 99.129 -10.568 -0.779
9 HE ARG 16 HE ARG 16 97.918 -12.685 -2.308
10 1HH1 ARG 16 1HH1 ARG 16 100.001 -11.911 0.384
11 2HH1 ARG 16 2HH1 ARG 16 100.822 -13.434 0.347
12 1HH2 ARG 16 1HH2 ARG 16 98.996 -14.690 -2.356
13 2HH2 ARG 16 2HH2 ARG 16 100.253 -15.013 -1.208
14 H GLU 17 HN GLU 17 92.581 -12.256 -0.659
15 HA GLU 17 HA GLU 17 90.770 -12.594 0.676
16 1HB GLU 17 HB2 GLU 17 92.849 -12.298 2.851
17 2HB GLU 17 HB1 GLU 17 91.188 -12.798 3.139
18 1HG GLU 17 HG2 GLU 17 92.585 -14.349 1.085
19 2HG GLU 17 HG1 GLU 17 93.271 -14.479 2.704
20 H SER 18 HN SER 18 89.264 -11.073 0.645
21 HA SER 18 HA SER 18 88.100 -9.170 1.082
22 1HB SER 18 HB2 SER 18 88.206 -8.272 3.223
23 2HB SER 18 HB1 SER 18 88.915 -9.866 3.482
24 HG SER 18 HG SER 18 90.421 -8.631 4.352
25 H LYS 19 HN LYS 19 88.265 -7.568 -0.346
26 HA LYS 19 HA LYS 19 90.838 -6.342 -0.876
27 1HB LYS 19 HB2 LYS 19 88.170 -6.361 -2.246
28 2HB LYS 19 HB1 LYS 19 89.322 -5.087 -2.612
29 1HG LYS 19 HG2 LYS 19 89.310 -7.082 -4.160
30 2HG LYS 19 HG1 LYS 19 90.878 -6.603 -3.516
31 1HD LYS 19 HD2 LYS 19 90.718 -8.987 -3.412
32 2HD LYS 19 HD1 LYS 19 90.618 -8.358 -1.769
33 1HE LYS 19 HE2 LYS 19 88.930 -9.967 -1.849
34 2HE LYS 19 HE1 LYS 19 88.073 -8.447 -2.105
35 1HZ LYS 19 HZ1 LYS 19 87.525 -10.388 -3.633
36 2HZ LYS 19 HZ2 LYS 19 89.013 -10.085 -4.377
37 3HZ LYS 19 HZ3 LYS 19 87.818 -8.889 -4.362
38 H CYS 20 HN CYS 20 90.364 -3.858 -1.539
39 HA CYS 20 HA CYS 20 89.868 -2.559 0.966
40 1HB CYS 20 HB2 CYS 20 91.654 -1.856 -0.678
41 2HB CYS 20 HB1 CYS 20 90.360 -1.213 -1.692
42 HA PRO 21 HA PRO 21 86.275 -0.489 -1.670
43 1HB PRO 21 HB2 PRO 21 85.274 -2.351 -3.504
44 2HB PRO 21 HB1 PRO 21 86.205 -0.907 -3.896
45 1HG PRO 21 HG2 PRO 21 87.107 -3.731 -3.642
46 2HG PRO 21 HG1 PRO 21 87.665 -2.466 -4.750
47 1HD PRO 21 HD2 PRO 21 89.112 -3.198 -2.626
48 2HD PRO 21 HD1 PRO 21 89.054 -1.509 -3.159
49 H THR 22 HN THR 22 85.991 -1.355 0.620
50 HA THR 22 HA THR 22 83.910 -3.449 0.644
51 HB THR 22 HB THR 22 86.215 -3.495 2.011
52 HG1 THR 22 HG1 THR 22 85.327 -5.180 2.857
53 1HG2 THR 22 1HG2 THR 22 85.980 -2.876 4.302
54 2HG2 THR 22 2HG2 THR 22 84.349 -2.272 4.023
55 3HG2 THR 22 3HG2 THR 22 85.727 -1.448 3.299
56 HA PRO 23 HA PRO 23 80.672 -0.912 2.320
57 1HB PRO 23 HB2 PRO 23 81.433 -1.518 5.152
58 2HB PRO 23 HB1 PRO 23 79.834 -1.519 4.394
59 1HG PRO 23 HG2 PRO 23 81.082 -3.811 4.853
60 2HG PRO 23 HG1 PRO 23 80.192 -3.563 3.339
61 1HD PRO 23 HD2 PRO 23 83.126 -3.569 3.832
62 2HD PRO 23 HD1 PRO 23 82.224 -4.105 2.403
63 H GLY 24 HN GLY 24 83.876 -0.503 3.590
64 1HA GLY 24 HA2 GLY 24 83.280 2.253 4.401
65 2HA GLY 24 HA1 GLY 24 84.700 1.334 4.877
66 H CYS 25 HN CYS 25 83.953 0.963 1.589
67 HA CYS 25 HA CYS 25 85.417 3.266 0.642
68 1HB CYS 25 HB2 CYS 25 87.248 1.745 1.200
69 2HB CYS 25 HB1 CYS 25 86.495 0.464 0.257
70 H ASP 26 HN ASP 26 85.478 3.334 -1.782
71 HA ASP 26 HA ASP 26 83.089 2.018 -2.871
72 1HB ASP 26 HB2 ASP 26 83.364 4.581 -2.860
73 2HB ASP 26 HB1 ASP 26 84.551 4.330 -4.135
74 H GLY 27 HN GLY 27 86.487 2.739 -3.526
75 1HA GLY 27 HA2 GLY 27 88.022 1.328 -4.590
76 2HA GLY 27 HA1 GLY 27 86.696 0.320 -5.103
77 H THR 28 HN THR 28 87.537 3.675 -5.598
78 HA THR 28 HA THR 28 87.932 3.279 -8.381
79 HB THR 28 HB THR 28 85.374 3.965 -7.402
80 HG1 THR 28 HG1 THR 28 86.203 4.150 -10.093
81 1HG2 THR 28 1HG2 THR 28 86.591 6.204 -8.990
82 2HG2 THR 28 2HG2 THR 28 85.922 6.294 -7.362
83 3HG2 THR 28 3HG2 THR 28 84.863 5.970 -8.734
84 H GLY 29 HN GLY 29 89.361 4.691 -9.183
85 1HA GLY 29 HA2 GLY 29 90.404 6.764 -9.470
86 2HA GLY 29 HA1 GLY 29 89.642 7.339 -7.997
87 H HIS 30 HN HIS 30 91.294 4.303 -7.919
88 HA HIS 30 HA HIS 30 92.921 3.708 -6.317
89 1HB HIS 30 HB2 HIS 30 93.593 4.073 -8.803
90 2HB HIS 30 HB1 HIS 30 94.636 5.297 -8.162
91 HD2 HIS 30 HD2 HIS 30 94.108 1.414 -7.886
92 HE1 HIS 30 HE1 HIS 30 98.163 2.381 -7.179
93 HE2 HIS 30 HE2 HIS 30 96.464 0.506 -7.302
94 H VAL 31 HN VAL 31 95.406 4.973 -5.924
95 HA VAL 31 HA VAL 31 94.766 6.728 -3.772
96 HB VAL 31 HB VAL 31 96.763 5.298 -3.686
97 1HG1 VAL 31 1HG1 VAL 31 97.216 6.141 -6.253
98 2HG1 VAL 31 2HG1 VAL 31 98.357 5.251 -5.246
99 3HG1 VAL 31 3HG1 VAL 31 98.445 7.011 -5.335
100 1HG2 VAL 31 1HG2 VAL 31 97.954 8.000 -3.617
101 2HG2 VAL 31 2HG2 VAL 31 97.939 6.734 -2.389
102 3HG2 VAL 31 3HG2 VAL 31 96.512 7.741 -2.635
103 H THR 32 HN THR 32 95.877 7.353 -7.087
104 HA THR 32 HA THR 32 95.775 10.226 -6.458
105 HB THR 32 HB THR 32 97.433 10.604 -8.107
106 HG1 THR 32 HG1 THR 32 98.159 8.648 -9.342
107 1HG2 THR 32 1HG2 THR 32 98.198 9.323 -5.990
108 2HG2 THR 32 2HG2 THR 32 99.300 9.491 -7.357
109 3HG2 THR 32 3HG2 THR 32 98.428 7.978 -7.111
110 H GLY 33 HN GLY 33 93.859 7.953 -7.738
111 1HA GLY 33 HA2 GLY 33 92.079 8.040 -9.188
112 2HA GLY 33 HA1 GLY 33 92.330 9.773 -9.232
113 H LEU 34 HN LEU 34 95.089 7.988 -9.961
114 HA LEU 34 HA LEU 34 94.776 8.653 -12.786
115 1HB LEU 34 HB2 LEU 34 97.306 7.961 -11.325
116 2HB LEU 34 HB1 LEU 34 97.165 8.588 -12.963
117 HG LEU 34 HG LEU 34 96.142 10.066 -10.591
118 1HD1 LEU 34 1HD1 LEU 34 98.824 9.502 -11.012
119 2HD1 LEU 34 2HD1 LEU 34 98.180 10.809 -10.020
120 3HD1 LEU 34 3HD1 LEU 34 98.616 11.111 -11.701
121 1HD2 LEU 34 1HD2 LEU 34 95.989 11.923 -11.999
122 2HD2 LEU 34 2HD2 LEU 34 95.418 10.578 -12.986
123 3HD2 LEU 34 3HD2 LEU 34 97.052 11.203 -13.209
124 H TYR 35 HN TYR 35 94.249 6.141 -10.814
125 HA TYR 35 HA TYR 35 95.217 4.191 -12.820
126 1HB TYR 35 HB2 TYR 35 94.571 3.628 -9.939
127 2HB TYR 35 HB1 TYR 35 95.280 2.509 -11.081
128 HD1 TYR 35 HD1 TYR 35 96.075 6.014 -10.083
129 HD2 TYR 35 HD2 TYR 35 97.462 2.024 -10.460
130 HE1 TYR 35 HE1 TYR 35 98.303 6.727 -9.336
131 HE2 TYR 35 HE2 TYR 35 99.698 2.723 -9.736
132 HH TYR 35 HH TYR 35 100.584 6.033 -9.433
133 HA PRO 36 HA PRO 36 90.994 3.167 -13.555
134 1HB PRO 36 HB2 PRO 36 91.062 0.493 -13.998
135 2HB PRO 36 HB1 PRO 36 91.699 1.666 -15.157
136 1HG PRO 36 HG2 PRO 36 93.162 -0.004 -13.152
137 2HG PRO 36 HG1 PRO 36 93.598 0.371 -14.829
138 1HD PRO 36 HD2 PRO 36 94.692 1.645 -12.688
139 2HD PRO 36 HD1 PRO 36 94.487 2.415 -14.272
140 H HIS 37 HN HIS 37 91.585 3.447 -10.807
141 HA HIS 37 HA HIS 37 90.341 3.115 -8.904
142 1HB HIS 37 HB2 HIS 37 89.479 0.365 -9.722
143 2HB HIS 37 HB1 HIS 37 88.688 1.509 -8.653
144 HD2 HIS 37 HD2 HIS 37 88.589 3.981 -10.888
145 HE1 HIS 37 HE1 HIS 37 86.195 1.195 -12.985
146 HE2 HIS 37 HE2 HIS 37 86.733 3.652 -12.668
147 H HIS 38 HN HIS 38 90.342 1.186 -7.227
148 HA HIS 38 HA HIS 38 92.947 -0.171 -7.414
149 1HB HIS 38 HB2 HIS 38 93.420 0.325 -5.056
150 2HB HIS 38 HB1 HIS 38 93.280 1.798 -6.006
151 HD1 HIS 38 HD1 HIS 38 91.205 3.311 -5.542
152 HD2 HIS 38 HD2 HIS 38 91.636 0.018 -3.047
153 HE1 HIS 38 HE1 HIS 38 89.502 3.619 -3.658
154 H ARG 39 HN ARG 39 92.453 -2.229 -7.518
155 HA ARG 39 HA ARG 39 90.092 -3.431 -6.717
156 1HB ARG 39 HB2 ARG 39 91.777 -4.391 -8.287
157 2HB ARG 39 HB1 ARG 39 92.791 -4.774 -6.903
158 1HG ARG 39 HG2 ARG 39 91.363 -6.429 -6.146
159 2HG ARG 39 HG1 ARG 39 89.982 -5.782 -7.035
160 1HD ARG 39 HD2 ARG 39 91.543 -6.335 -9.107
161 2HD ARG 39 HD1 ARG 39 92.216 -7.502 -7.970
162 HE ARG 39 HE ARG 39 89.630 -7.595 -9.233
163 1HH1 ARG 39 1HH1 ARG 39 91.544 -8.691 -6.527
164 2HH1 ARG 39 2HH1 ARG 39 90.567 -10.091 -6.244
165 1HH2 ARG 39 1HH2 ARG 39 88.347 -9.436 -8.861
166 2HH2 ARG 39 2HH2 ARG 39 88.752 -10.515 -7.569
167 H SER 40 HN SER 40 92.837 -2.548 -4.798
168 HA SER 40 HA SER 40 91.637 -2.832 -2.365
169 1HB SER 40 HB2 SER 40 92.844 -4.977 -1.556
170 2HB SER 40 HB1 SER 40 91.368 -5.155 -2.493
171 HG SER 40 HG SER 40 92.525 -5.770 -4.234
172 H LEU 41 HN LEU 41 92.952 -0.943 -2.142
173 HA LEU 41 HA LEU 41 94.699 0.088 -1.111
174 1HB LEU 41 HB2 LEU 41 96.241 -2.493 -1.123
175 2HB LEU 41 HB1 LEU 41 96.458 -1.104 -0.075
176 HG LEU 41 HG LEU 41 93.800 -2.033 0.286
177 1HD1 LEU 41 1HD1 LEU 41 94.112 -4.203 -0.337
178 2HD1 LEU 41 2HD1 LEU 41 94.668 -4.301 1.333
179 3HD1 LEU 41 3HD1 LEU 41 95.838 -4.179 0.018
180 1HD2 LEU 41 1HD2 LEU 41 96.290 -1.953 1.964
181 2HD2 LEU 41 2HD2 LEU 41 94.752 -2.545 2.593
182 3HD2 LEU 41 3HD2 LEU 41 94.889 -0.884 2.016
183 H SER 42 HN SER 42 97.376 0.004 -1.502
184 HA SER 42 HA SER 42 99.007 0.555 -2.992
185 1HB SER 42 HB2 SER 42 97.325 -1.060 -4.929
186 2HB SER 42 HB1 SER 42 98.939 -0.442 -5.274
187 HG SER 42 HG SER 42 99.669 -2.150 -4.322
188 H GLY 43 HN GLY 43 95.796 1.484 -3.237
189 1HA GLY 43 HA2 GLY 43 96.513 3.846 -4.747
190 2HA GLY 43 HA1 GLY 43 95.162 2.883 -5.310
191 H CYS 44 HN CYS 44 93.249 3.044 -4.372
192 HA CYS 44 HA CYS 44 91.556 3.972 -3.126
193 1HB CYS 44 HB2 CYS 44 92.987 2.578 -1.428
194 2HB CYS 44 HB1 CYS 44 93.393 4.163 -0.776
195 HA PRO 45 HA PRO 45 92.828 8.344 -3.327
196 1HB PRO 45 HB2 PRO 45 90.713 9.276 -4.632
197 2HB PRO 45 HB1 PRO 45 91.907 8.277 -5.461
198 1HG PRO 45 HG2 PRO 45 89.198 7.551 -4.445
199 2HG PRO 45 HG1 PRO 45 90.025 7.005 -5.910
200 1HD PRO 45 HD2 PRO 45 89.859 5.605 -3.483
201 2HD PRO 45 HD1 PRO 45 90.968 5.246 -4.820
202 H HIS 46 HN HIS 46 91.400 7.184 -0.923
203 HA HIS 46 HA HIS 46 89.762 9.568 -0.363
204 1HB HIS 46 HB2 HIS 46 89.271 6.951 0.994
205 2HB HIS 46 HB1 HIS 46 88.178 8.301 0.728
206 HD2 HIS 46 HD2 HIS 46 88.958 4.926 -0.709
207 HE1 HIS 46 HE1 HIS 46 86.761 6.998 -3.653
208 HE2 HIS 46 HE2 HIS 46 87.798 4.783 -3.017
209 H LYS 47 HN LYS 47 90.811 7.018 1.912
210 HA LYS 47 HA LYS 47 92.167 7.111 3.747
211 1HB LYS 47 HB2 LYS 47 93.380 8.901 1.936
212 2HB LYS 47 HB1 LYS 47 93.340 9.727 3.486
213 1HG LYS 47 HG2 LYS 47 94.935 8.430 4.341
214 2HG LYS 47 HG1 LYS 47 94.203 6.959 3.699
215 1HD LYS 47 HD2 LYS 47 95.112 7.918 1.414
216 2HD LYS 47 HD1 LYS 47 96.234 8.766 2.483
217 1HE LYS 47 HE2 LYS 47 96.610 6.442 3.546
218 2HE LYS 47 HE1 LYS 47 95.878 5.817 2.068
219 1HZ LYS 47 HZ1 LYS 47 98.473 7.073 2.469
220 2HZ LYS 47 HZ2 LYS 47 97.664 7.487 1.042
221 3HZ LYS 47 HZ3 LYS 47 98.010 5.865 1.377
222 H ASP 48 HN ASP 48 89.805 7.466 4.539
223 HA ASP 48 HA ASP 48 89.951 9.629 6.463
224 1HB ASP 48 HB2 ASP 48 88.623 10.176 4.128
225 2HB ASP 48 HB1 ASP 48 87.322 9.605 5.166
226 H ARG 49 HN ARG 49 89.670 6.567 6.118
227 HA ARG 49 HA ARG 49 88.556 4.821 7.098
228 1HB ARG 49 HB2 ARG 49 89.659 6.463 8.969
229 2HB ARG 49 HB1 ARG 49 87.999 6.370 9.537
230 1HG ARG 49 HG2 ARG 49 88.501 3.759 9.063
231 2HG ARG 49 HG1 ARG 49 90.112 4.327 9.506
232 1HD ARG 49 HD2 ARG 49 87.695 4.989 11.155
233 2HD ARG 49 HD1 ARG 49 88.577 3.481 11.378
234 HE ARG 49 HE ARG 49 90.574 4.955 11.780
235 1HH1 ARG 49 1HH1 ARG 49 87.325 6.070 12.453
236 2HH1 ARG 49 2HH1 ARG 49 87.838 7.210 13.648
237 1HH2 ARG 49 1HH2 ARG 49 91.233 6.454 13.353
238 2HH2 ARG 49 2HH2 ARG 49 90.051 7.429 14.159
239 H VAL 50 HN VAL 50 86.629 4.539 8.934
240 HA VAL 50 HA VAL 50 84.398 4.088 8.875
241 HB VAL 50 HB VAL 50 84.475 7.080 9.208
242 1HG1 VAL 50 1HG1 VAL 50 82.192 5.758 8.616
243 2HG1 VAL 50 2HG1 VAL 50 82.263 7.161 9.680
244 3HG1 VAL 50 3HG1 VAL 50 82.246 5.535 10.363
245 1HG2 VAL 50 1HG2 VAL 50 85.755 5.729 10.818
246 2HG2 VAL 50 2HG2 VAL 50 84.277 4.856 11.222
247 3HG2 VAL 50 3HG2 VAL 50 84.401 6.583 11.560
248 HA PRO 51 HA PRO 51 81.827 6.070 5.399
249 1HB PRO 51 HB2 PRO 51 83.062 8.207 4.066
250 2HB PRO 51 HB1 PRO 51 81.715 8.321 5.200
251 1HG PRO 51 HG2 PRO 51 84.610 8.804 5.640
252 2HG PRO 51 HG1 PRO 51 83.208 9.576 6.397
253 1HD PRO 51 HD2 PRO 51 84.717 7.759 7.681
254 2HD PRO 51 HD1 PRO 51 82.972 7.905 7.961
255 HA PRO 52 HA PRO 52 83.784 4.203 1.905
256 1HB PRO 52 HB2 PRO 52 83.243 6.456 0.066
257 2HB PRO 52 HB1 PRO 52 82.696 4.779 -0.021
258 1HG PRO 52 HG2 PRO 52 81.010 6.752 0.626
259 2HG PRO 52 HG1 PRO 52 80.896 5.153 1.386
260 1HD PRO 52 HD2 PRO 52 82.064 7.689 2.470
261 2HD PRO 52 HD1 PRO 52 81.072 6.464 3.290
262 H GLU 53 HN GLU 53 85.942 4.324 2.579
263 HA GLU 53 HA GLU 53 87.607 6.021 1.016
264 1HB GLU 53 HB2 GLU 53 87.511 6.202 4.003
265 2HB GLU 53 HB1 GLU 53 88.929 6.690 3.086
266 1HG GLU 53 HG2 GLU 53 87.984 8.700 3.001
267 2HG GLU 53 HG1 GLU 53 86.915 8.007 1.789
268 H ILE 54 HN ILE 54 88.989 4.766 3.878
269 HA ILE 54 HA ILE 54 89.917 2.371 2.464
270 HB ILE 54 HB ILE 54 92.000 3.575 4.133
271 1HG1 ILE 54 2HG1 ILE 54 91.073 5.007 1.634
272 2HG1 ILE 54 1HG1 ILE 54 91.268 5.665 3.250
273 1HG2 ILE 54 1HG2 ILE 54 92.838 3.065 1.473
274 2HG2 ILE 54 2HG2 ILE 54 91.747 1.771 1.959
275 3HG2 ILE 54 3HG2 ILE 54 93.169 2.135 2.932
276 1HD1 ILE 54 1HD1 ILE 54 93.721 5.200 3.034
277 2HD1 ILE 54 2HD1 ILE 54 93.087 6.434 1.947
278 3HD1 ILE 54 3HD1 ILE 54 93.421 4.814 1.341
279 H LEU 55 HN LEU 55 88.285 3.345 5.074
280 HA LEU 55 HA LEU 55 89.470 2.364 7.325
281 1HB LEU 55 HB2 LEU 55 87.342 3.308 7.609
282 2HB LEU 55 HB1 LEU 55 86.614 2.231 6.433
283 HG LEU 55 HG LEU 55 87.758 0.853 8.762
284 1HD1 LEU 55 1HD1 LEU 55 85.357 2.629 9.131
285 2HD1 LEU 55 2HD1 LEU 55 86.936 2.868 9.875
286 3HD1 LEU 55 3HD1 LEU 55 85.971 1.455 10.289
287 1HD2 LEU 55 1HD2 LEU 55 85.136 0.776 7.287
288 2HD2 LEU 55 2HD2 LEU 55 85.527 -0.265 8.656
289 3HD2 LEU 55 3HD2 LEU 55 86.472 -0.369 7.170
290 H ALA 56 HN ALA 56 88.250 0.564 4.661
291 HA ALA 56 HA ALA 56 87.908 -1.967 5.634
292 1HB ALA 56 HB1 ALA 56 87.891 -2.639 3.482
293 2HB ALA 56 HB2 ALA 56 89.423 -1.850 3.113
294 3HB ALA 56 HB3 ALA 56 87.935 -0.905 3.159
295 H MET 57 HN MET 57 90.880 -0.230 5.189
296 HA MET 57 HA MET 57 92.700 -2.364 5.280
297 1HB MET 57 HB2 MET 57 92.901 0.544 6.014
298 2HB MET 57 HB1 MET 57 94.260 -0.545 6.246
299 1HG MET 57 HG2 MET 57 93.918 -1.149 3.770
300 2HG MET 57 HG1 MET 57 92.964 0.329 3.697
301 1HE MET 57 HE1 MET 57 96.268 -0.232 5.945
302 2HE MET 57 HE2 MET 57 97.454 0.071 4.675
303 3HE MET 57 HE3 MET 57 96.337 -1.286 4.532
304 H HIS 58 HN HIS 58 92.496 -3.883 6.834
305 HA HIS 58 HA HIS 58 91.740 -3.305 9.517
306 1HB HIS 58 HB2 HIS 58 92.326 -5.667 7.922
307 2HB HIS 58 HB1 HIS 58 92.981 -5.801 9.551
308 HD2 HIS 58 HD2 HIS 58 89.594 -5.805 7.698
309 HE1 HIS 58 HE1 HIS 58 88.876 -6.367 11.831
310 HE2 HIS 58 HE2 HIS 58 87.888 -6.554 9.503
311 H GLU 59 HN GLU 59 94.805 -3.716 7.861
312 HA GLU 59 HA GLU 59 96.430 -3.933 10.168
313 1HB GLU 59 HB2 GLU 59 96.821 -3.616 7.289
314 2HB GLU 59 HB1 GLU 59 98.046 -2.787 8.239
315 1HG GLU 59 HG2 GLU 59 98.215 -5.030 9.521
316 2HG GLU 59 HG1 GLU 59 97.414 -5.701 8.102
317 H ASN 60 HN ASN 60 95.771 -1.153 8.031
318 HA ASN 60 HA ASN 60 96.232 0.619 10.325
319 1HB ASN 60 HB2 ASN 60 98.184 0.363 8.531
320 2HB ASN 60 HB1 ASN 60 97.196 1.529 7.655
321 1HD2 ASN 60 1HD2 ASN 60 98.223 3.393 7.856
322 2HD2 ASN 60 2HD2 ASN 60 98.734 4.106 9.355
323 H VAL 61 HN VAL 61 94.099 1.145 10.570
324 HA VAL 61 HA VAL 61 92.416 1.843 8.356
325 HB VAL 61 HB VAL 61 90.757 2.462 10.060
326 1HG1 VAL 61 1HG1 VAL 61 90.627 0.208 9.534
327 2HG1 VAL 61 2HG1 VAL 61 90.792 0.183 11.290
328 3HG1 VAL 61 3HG1 VAL 61 92.188 -0.156 10.267
329 1HG2 VAL 61 1HG2 VAL 61 92.841 1.731 12.109
330 2HG2 VAL 61 2HG2 VAL 61 91.209 2.329 12.403
331 3HG2 VAL 61 3HG2 VAL 61 92.420 3.389 11.681
332 H LEU 62 HN LEU 62 91.492 3.886 7.921
333 HA LEU 62 HA LEU 62 91.321 6.166 7.874
334 1HB LEU 62 HB2 LEU 62 91.888 6.139 10.324
335 2HB LEU 62 HB1 LEU 62 93.572 6.316 9.871
336 HG LEU 62 HG LEU 62 92.235 8.378 8.523
337 1HD1 LEU 62 1HD1 LEU 62 91.104 9.570 10.339
338 2HD1 LEU 62 2HD1 LEU 62 91.310 8.165 11.383
339 3HD1 LEU 62 3HD1 LEU 62 90.295 8.053 9.945
340 1HD2 LEU 62 1HD2 LEU 62 94.517 8.143 9.807
341 2HD2 LEU 62 2HD2 LEU 62 93.594 8.865 11.125
342 3HD2 LEU 62 3HD2 LEU 62 93.752 9.717 9.589
343 H LYS 63 HN LYS 63 94.331 4.491 7.538
344 HA LYS 63 HA LYS 63 95.009 6.209 5.295
345 1HB LYS 63 HB2 LYS 63 96.677 5.911 7.762
346 2HB LYS 63 HB1 LYS 63 97.469 6.116 6.205
347 1HG LYS 63 HG2 LYS 63 95.313 8.030 6.837
348 2HG LYS 63 HG1 LYS 63 96.786 8.153 7.800
349 1HD LYS 63 HD2 LYS 63 97.010 7.923 4.836
350 2HD LYS 63 HD1 LYS 63 96.534 9.469 5.539
351 1HE LYS 63 HE2 LYS 63 98.633 9.910 6.115
352 2HE LYS 63 HE1 LYS 63 98.761 8.382 6.985
353 1HZ LYS 63 HZ1 LYS 63 99.704 9.089 4.345
354 2HZ LYS 63 HZ2 LYS 63 98.957 7.575 4.439
355 3HZ LYS 63 HZ3 LYS 63 100.284 7.925 5.428
Start of MODEL 4
1 H ARG 16 HN ARG 16 95.135 -7.196 -5.853
2 HA ARG 16 HA ARG 16 94.513 -6.509 -8.440
3 1HB ARG 16 HB2 ARG 16 94.327 -8.798 -9.514
4 2HB ARG 16 HB1 ARG 16 95.953 -8.149 -9.362
5 1HG ARG 16 HG2 ARG 16 95.900 -9.522 -7.102
6 2HG ARG 16 HG1 ARG 16 94.685 -10.449 -7.983
7 1HD ARG 16 HD2 ARG 16 96.856 -9.990 -9.744
8 2HD ARG 16 HD1 ARG 16 97.525 -10.545 -8.209
9 HE ARG 16 HE ARG 16 95.518 -12.293 -8.662
10 1HH1 ARG 16 1HH1 ARG 16 98.185 -11.187 -10.626
11 2HH1 ARG 16 2HH1 ARG 16 98.325 -12.679 -11.496
12 1HH2 ARG 16 1HH2 ARG 16 95.705 -14.256 -9.803
13 2HH2 ARG 16 2HH2 ARG 16 96.917 -14.419 -11.028
14 H GLU 17 HN GLU 17 93.950 -9.050 -6.034
15 HA GLU 17 HA GLU 17 91.180 -9.353 -6.690
16 1HB GLU 17 HB2 GLU 17 92.944 -10.351 -4.477
17 2HB GLU 17 HB1 GLU 17 91.203 -10.577 -4.399
18 1HG GLU 17 HG2 GLU 17 92.122 -11.381 -6.974
19 2HG GLU 17 HG1 GLU 17 93.116 -12.153 -5.739
20 H SER 18 HN SER 18 89.381 -8.858 -5.347
21 HA SER 18 HA SER 18 89.331 -6.216 -4.371
22 1HB SER 18 HB2 SER 18 87.451 -8.472 -4.577
23 2HB SER 18 HB1 SER 18 87.119 -7.376 -3.235
24 HG SER 18 HG SER 18 86.237 -6.168 -4.704
25 H LYS 19 HN LYS 19 89.803 -5.388 -2.375
26 HA LYS 19 HA LYS 19 89.793 -7.165 -0.079
27 1HB LYS 19 HB2 LYS 19 92.147 -6.717 -1.355
28 2HB LYS 19 HB1 LYS 19 92.152 -5.421 -0.165
29 1HG LYS 19 HG2 LYS 19 92.005 -8.381 0.335
30 2HG LYS 19 HG1 LYS 19 93.292 -7.262 0.793
31 1HD LYS 19 HD2 LYS 19 91.302 -6.077 2.070
32 2HD LYS 19 HD1 LYS 19 90.621 -7.703 2.023
33 1HE LYS 19 HE2 LYS 19 92.493 -8.605 3.188
34 2HE LYS 19 HE1 LYS 19 93.401 -7.103 3.017
35 1HZ LYS 19 HZ1 LYS 19 92.607 -7.086 5.194
36 2HZ LYS 19 HZ2 LYS 19 91.074 -7.649 4.755
37 3HZ LYS 19 HZ3 LYS 19 91.535 -6.070 4.369
38 H CYS 20 HN CYS 20 90.527 -3.908 -1.107
39 HA CYS 20 HA CYS 20 89.889 -2.709 1.392
40 1HB CYS 20 HB2 CYS 20 91.459 -1.691 -0.212
41 2HB CYS 20 HB1 CYS 20 90.118 -1.372 -1.303
42 HA PRO 21 HA PRO 21 85.802 -1.630 -1.235
43 1HB PRO 21 HB2 PRO 21 85.229 -4.539 -1.572
44 2HB PRO 21 HB1 PRO 21 84.774 -3.177 -2.605
45 1HG PRO 21 HG2 PRO 21 86.772 -4.771 -3.314
46 2HG PRO 21 HG1 PRO 21 86.898 -3.015 -3.549
47 1HD PRO 21 HD2 PRO 21 88.154 -4.749 -1.469
48 2HD PRO 21 HD1 PRO 21 88.818 -3.327 -2.297
49 H THR 22 HN THR 22 85.945 -1.206 1.167
50 HA THR 22 HA THR 22 84.656 -3.148 2.874
51 HB THR 22 HB THR 22 84.793 -0.815 4.309
52 HG1 THR 22 HG1 THR 22 85.810 0.386 2.791
53 1HG2 THR 22 1HG2 THR 22 86.044 -2.133 5.563
54 2HG2 THR 22 2HG2 THR 22 87.381 -1.924 4.431
55 3HG2 THR 22 3HG2 THR 22 86.240 -3.251 4.213
56 HA PRO 23 HA PRO 23 80.414 -1.891 3.032
57 1HB PRO 23 HB2 PRO 23 80.975 -0.337 5.530
58 2HB PRO 23 HB1 PRO 23 79.656 -1.462 5.182
59 1HG PRO 23 HG2 PRO 23 81.721 -2.233 6.666
60 2HG PRO 23 HG1 PRO 23 80.998 -3.335 5.480
61 1HD PRO 23 HD2 PRO 23 83.575 -1.855 5.365
62 2HD PRO 23 HD1 PRO 23 83.138 -3.422 4.655
63 H GLY 24 HN GLY 24 82.851 0.546 3.631
64 1HA GLY 24 HA2 GLY 24 81.082 2.656 2.642
65 2HA GLY 24 HA1 GLY 24 82.643 2.889 3.417
66 H CYS 25 HN CYS 25 84.550 1.946 2.118
67 HA CYS 25 HA CYS 25 84.878 3.316 -0.217
68 1HB CYS 25 HB2 CYS 25 86.708 2.100 1.060
69 2HB CYS 25 HB1 CYS 25 86.170 0.626 0.240
70 H ASP 26 HN ASP 26 85.044 2.668 -2.466
71 HA ASP 26 HA ASP 26 82.992 0.676 -3.167
72 1HB ASP 26 HB2 ASP 26 82.682 3.165 -3.734
73 2HB ASP 26 HB1 ASP 26 83.930 2.912 -4.948
74 H GLY 27 HN GLY 27 86.264 1.776 -3.766
75 1HA GLY 27 HA2 GLY 27 88.040 0.485 -4.575
76 2HA GLY 27 HA1 GLY 27 86.897 -0.750 -5.043
77 H THR 28 HN THR 28 87.464 2.595 -5.810
78 HA THR 28 HA THR 28 87.998 2.097 -8.536
79 HB THR 28 HB THR 28 85.317 2.833 -7.606
80 HG1 THR 28 HG1 THR 28 84.895 1.407 -9.063
81 1HG2 THR 28 1HG2 THR 28 84.892 4.126 -9.771
82 2HG2 THR 28 2HG2 THR 28 86.623 4.459 -9.745
83 3HG2 THR 28 3HG2 THR 28 85.603 4.984 -8.405
84 H GLY 29 HN GLY 29 89.366 3.628 -9.230
85 1HA GLY 29 HA2 GLY 29 90.243 5.768 -9.498
86 2HA GLY 29 HA1 GLY 29 89.172 6.348 -8.231
87 H HIS 30 HN HIS 30 91.670 3.831 -8.333
88 HA HIS 30 HA HIS 30 92.874 3.464 -6.138
89 1HB HIS 30 HB2 HIS 30 93.756 3.503 -8.599
90 2HB HIS 30 HB1 HIS 30 94.710 4.831 -8.025
91 HD2 HIS 30 HD2 HIS 30 94.279 0.989 -7.385
92 HE1 HIS 30 HE1 HIS 30 98.185 2.190 -6.314
93 HE2 HIS 30 HE2 HIS 30 96.665 0.218 -6.747
94 H VAL 31 HN VAL 31 95.122 4.569 -5.391
95 HA VAL 31 HA VAL 31 94.462 6.610 -3.626
96 HB VAL 31 HB VAL 31 96.487 5.199 -3.428
97 1HG1 VAL 31 1HG1 VAL 31 97.059 5.750 -5.946
98 2HG1 VAL 31 2HG1 VAL 31 98.315 5.351 -4.774
99 3HG1 VAL 31 3HG1 VAL 31 98.004 7.036 -5.195
100 1HG2 VAL 31 1HG2 VAL 31 97.961 7.533 -3.097
101 2HG2 VAL 31 2HG2 VAL 31 96.938 6.748 -1.895
102 3HG2 VAL 31 3HG2 VAL 31 96.280 8.033 -2.906
103 H THR 32 HN THR 32 95.745 6.978 -6.922
104 HA THR 32 HA THR 32 95.463 9.886 -6.586
105 HB THR 32 HB THR 32 97.129 10.178 -8.267
106 HG1 THR 32 HG1 THR 32 96.670 7.450 -8.767
107 1HG2 THR 32 1HG2 THR 32 99.024 9.417 -7.266
108 2HG2 THR 32 2HG2 THR 32 98.358 7.811 -6.977
109 3HG2 THR 32 3HG2 THR 32 97.875 9.162 -5.951
110 H GLY 33 HN GLY 33 94.060 7.163 -7.933
111 1HA GLY 33 HA2 GLY 33 92.253 6.945 -9.323
112 2HA GLY 33 HA1 GLY 33 92.252 8.695 -9.491
113 H LEU 34 HN LEU 34 95.272 7.370 -9.975
114 HA LEU 34 HA LEU 34 95.059 7.786 -12.845
115 1HB LEU 34 HB2 LEU 34 97.561 7.393 -11.229
116 2HB LEU 34 HB1 LEU 34 97.439 7.986 -12.880
117 HG LEU 34 HG LEU 34 96.120 9.412 -10.623
118 1HD1 LEU 34 1HD1 LEU 34 98.018 10.607 -10.066
119 2HD1 LEU 34 2HD1 LEU 34 98.814 10.262 -11.604
120 3HD1 LEU 34 3HD1 LEU 34 98.700 9.008 -10.368
121 1HD2 LEU 34 1HD2 LEU 34 96.967 11.265 -12.443
122 2HD2 LEU 34 2HD2 LEU 34 95.360 10.540 -12.401
123 3HD2 LEU 34 3HD2 LEU 34 96.598 9.879 -13.470
124 H TYR 35 HN TYR 35 94.654 5.428 -10.740
125 HA TYR 35 HA TYR 35 95.902 3.358 -12.402
126 1HB TYR 35 HB2 TYR 35 94.874 3.007 -9.603
127 2HB TYR 35 HB1 TYR 35 95.828 1.861 -10.517
128 HD1 TYR 35 HD1 TYR 35 96.144 5.442 -9.593
129 HD2 TYR 35 HD2 TYR 35 97.978 1.630 -9.660
130 HE1 TYR 35 HE1 TYR 35 98.167 6.407 -8.573
131 HE2 TYR 35 HE2 TYR 35 100.010 2.574 -8.664
132 HH TYR 35 HH TYR 35 100.669 5.800 -8.545
133 HA PRO 36 HA PRO 36 91.807 2.056 -13.447
134 1HB PRO 36 HB2 PRO 36 92.016 -0.614 -13.723
135 2HB PRO 36 HB1 PRO 36 92.792 0.504 -14.851
136 1HG PRO 36 HG2 PRO 36 93.984 -1.022 -12.574
137 2HG PRO 36 HG1 PRO 36 94.652 -0.705 -14.185
138 1HD PRO 36 HD2 PRO 36 95.339 0.694 -11.920
139 2HD PRO 36 HD1 PRO 36 95.473 1.338 -13.567
140 H HIS 37 HN HIS 37 92.010 2.588 -10.719
141 HA HIS 37 HA HIS 37 90.549 2.308 -8.948
142 1HB HIS 37 HB2 HIS 37 90.099 -0.584 -9.625
143 2HB HIS 37 HB1 HIS 37 89.081 0.504 -8.699
144 HD2 HIS 37 HD2 HIS 37 88.812 2.856 -11.005
145 HE1 HIS 37 HE1 HIS 37 87.168 -0.308 -13.284
146 HE2 HIS 37 HE2 HIS 37 87.267 2.208 -12.985
147 H HIS 38 HN HIS 38 90.541 0.447 -7.105
148 HA HIS 38 HA HIS 38 93.290 -0.548 -6.903
149 1HB HIS 38 HB2 HIS 38 93.517 0.251 -4.601
150 2HB HIS 38 HB1 HIS 38 93.283 1.583 -5.723
151 HD1 HIS 38 HD1 HIS 38 91.053 2.909 -5.534
152 HD2 HIS 38 HD2 HIS 38 91.563 -0.092 -2.721
153 HE1 HIS 38 HE1 HIS 38 89.250 3.271 -3.777
154 H ARG 39 HN ARG 39 90.157 -0.536 -5.189
155 HA ARG 39 HA ARG 39 89.200 -2.176 -3.881
156 1HB ARG 39 HB2 ARG 39 89.979 -4.024 -6.125
157 2HB ARG 39 HB1 ARG 39 88.518 -4.047 -5.147
158 1HG ARG 39 HG2 ARG 39 88.077 -1.727 -6.227
159 2HG ARG 39 HG1 ARG 39 89.230 -2.281 -7.440
160 1HD ARG 39 HD2 ARG 39 87.143 -2.917 -8.283
161 2HD ARG 39 HD1 ARG 39 87.804 -4.390 -7.579
162 HE ARG 39 HE ARG 39 86.127 -2.873 -5.793
163 1HH1 ARG 39 1HH1 ARG 39 86.210 -5.347 -8.254
164 2HH1 ARG 39 2HH1 ARG 39 84.727 -6.080 -7.741
165 1HH2 ARG 39 1HH2 ARG 39 84.180 -3.839 -5.117
166 2HH2 ARG 39 2HH2 ARG 39 83.576 -5.225 -5.960
167 H SER 40 HN SER 40 91.989 -1.770 -3.318
168 HA SER 40 HA SER 40 92.559 -4.381 -2.149
169 1HB SER 40 HB2 SER 40 94.983 -4.135 -2.808
170 2HB SER 40 HB1 SER 40 93.880 -4.476 -4.142
171 HG SER 40 HG SER 40 93.853 -2.086 -4.393
172 H LEU 41 HN LEU 41 94.291 -1.245 -2.439
173 HA LEU 41 HA LEU 41 93.846 -0.049 -0.076
174 1HB LEU 41 HB2 LEU 41 95.782 -0.934 1.360
175 2HB LEU 41 HB1 LEU 41 94.301 -1.874 1.311
176 HG LEU 41 HG LEU 41 95.806 -2.926 -0.768
177 1HD1 LEU 41 1HD1 LEU 41 97.894 -2.172 -0.339
178 2HD1 LEU 41 2HD1 LEU 41 97.884 -3.529 0.787
179 3HD1 LEU 41 3HD1 LEU 41 97.566 -1.896 1.372
180 1HD2 LEU 41 1HD2 LEU 41 94.788 -4.579 0.362
181 2HD2 LEU 41 2HD2 LEU 41 94.903 -3.733 1.905
182 3HD2 LEU 41 3HD2 LEU 41 96.284 -4.644 1.296
183 H SER 42 HN SER 42 96.711 -1.436 -1.660
184 HA SER 42 HA SER 42 98.609 0.445 -1.254
185 1HB SER 42 HB2 SER 42 99.425 -0.083 -3.608
186 2HB SER 42 HB1 SER 42 99.190 -1.466 -2.541
187 HG SER 42 HG SER 42 98.291 -1.608 -4.750
188 H GLY 43 HN GLY 43 95.779 0.761 -3.260
189 1HA GLY 43 HA2 GLY 43 96.677 3.383 -4.187
190 2HA GLY 43 HA1 GLY 43 95.322 2.466 -4.834
191 H CYS 44 HN CYS 44 93.368 2.851 -4.124
192 HA CYS 44 HA CYS 44 91.659 3.970 -3.025
193 1HB CYS 44 HB2 CYS 44 92.632 2.227 -1.324
194 2HB CYS 44 HB1 CYS 44 93.220 3.653 -0.480
195 HA PRO 45 HA PRO 45 93.546 8.103 -2.451
196 1HB PRO 45 HB2 PRO 45 91.901 9.488 -3.935
197 2HB PRO 45 HB1 PRO 45 92.888 8.251 -4.725
198 1HG PRO 45 HG2 PRO 45 90.026 8.093 -3.839
199 2HG PRO 45 HG1 PRO 45 90.730 7.608 -5.387
200 1HD PRO 45 HD2 PRO 45 90.249 5.894 -3.249
201 2HD PRO 45 HD1 PRO 45 91.400 5.569 -4.560
202 H HIS 46 HN HIS 46 90.749 6.789 -1.192
203 HA HIS 46 HA HIS 46 89.352 9.120 -0.426
204 1HB HIS 46 HB2 HIS 46 89.195 6.426 0.906
205 2HB HIS 46 HB1 HIS 46 87.957 7.673 0.842
206 HD2 HIS 46 HD2 HIS 46 88.571 4.420 -0.720
207 HE1 HIS 46 HE1 HIS 46 86.490 6.620 -3.644
208 HE2 HIS 46 HE2 HIS 46 87.381 4.349 -3.008
209 H LYS 47 HN LYS 47 90.642 6.826 1.982
210 HA LYS 47 HA LYS 47 91.536 7.142 4.027
211 1HB LYS 47 HB2 LYS 47 93.520 8.402 4.162
212 2HB LYS 47 HB1 LYS 47 93.443 7.841 2.503
213 1HG LYS 47 HG2 LYS 47 93.608 9.916 1.754
214 2HG LYS 47 HG1 LYS 47 92.195 10.408 2.684
215 1HD LYS 47 HD2 LYS 47 93.435 11.272 4.374
216 2HD LYS 47 HD1 LYS 47 94.703 10.057 4.200
217 1HE LYS 47 HE2 LYS 47 95.772 11.982 3.495
218 2HE LYS 47 HE1 LYS 47 95.221 11.281 1.975
219 1HZ LYS 47 HZ1 LYS 47 94.814 13.741 2.323
220 2HZ LYS 47 HZ2 LYS 47 93.620 13.294 3.433
221 3HZ LYS 47 HZ3 LYS 47 93.487 12.821 1.815
222 H ASP 48 HN ASP 48 89.175 7.851 4.336
223 HA ASP 48 HA ASP 48 89.183 10.578 5.474
224 1HB ASP 48 HB2 ASP 48 87.351 9.334 3.675
225 2HB ASP 48 HB1 ASP 48 86.520 9.616 5.201
226 H ARG 49 HN ARG 49 89.268 7.354 6.237
227 HA ARG 49 HA ARG 49 88.775 6.103 8.090
228 1HB ARG 49 HB2 ARG 49 89.420 7.072 10.191
229 2HB ARG 49 HB1 ARG 49 90.508 7.641 8.938
230 1HG ARG 49 HG2 ARG 49 89.513 9.793 8.922
231 2HG ARG 49 HG1 ARG 49 88.173 9.251 9.928
232 1HD ARG 49 HD2 ARG 49 90.586 8.667 11.304
233 2HD ARG 49 HD1 ARG 49 90.674 10.333 10.731
234 HE ARG 49 HE ARG 49 88.245 9.512 12.124
235 1HH1 ARG 49 1HH1 ARG 49 91.298 11.213 12.236
236 2HH1 ARG 49 2HH1 ARG 49 90.862 12.150 13.622
237 1HH2 ARG 49 1HH2 ARG 49 87.682 10.747 13.952
238 2HH2 ARG 49 2HH2 ARG 49 88.815 11.888 14.595
239 H VAL 50 HN VAL 50 86.798 5.351 8.235
240 HA VAL 50 HA VAL 50 84.853 5.101 9.518
241 HB VAL 50 HB VAL 50 84.612 8.122 9.515
242 1HG1 VAL 50 1HG1 VAL 50 82.679 5.997 10.063
243 2HG1 VAL 50 2HG1 VAL 50 82.423 7.701 9.688
244 3HG1 VAL 50 3HG1 VAL 50 82.820 7.210 11.335
245 1HG2 VAL 50 1HG2 VAL 50 85.125 8.037 11.815
246 2HG2 VAL 50 2HG2 VAL 50 86.336 7.040 11.016
247 3HG2 VAL 50 3HG2 VAL 50 84.988 6.279 11.856
248 HA PRO 51 HA PRO 51 81.859 6.734 6.120
249 1HB PRO 51 HB2 PRO 51 82.982 8.598 4.380
250 2HB PRO 51 HB1 PRO 51 81.870 8.981 5.694
251 1HG PRO 51 HG2 PRO 51 84.838 9.159 5.598
252 2HG PRO 51 HG1 PRO 51 83.677 10.248 6.367
253 1HD PRO 51 HD2 PRO 51 85.112 8.512 7.795
254 2HD PRO 51 HD1 PRO 51 83.426 8.880 8.214
255 HA PRO 52 HA PRO 52 83.471 4.344 2.737
256 1HB PRO 52 HB2 PRO 52 82.860 6.348 0.652
257 2HB PRO 52 HB1 PRO 52 82.224 4.716 0.851
258 1HG PRO 52 HG2 PRO 52 80.696 6.838 1.339
259 2HG PRO 52 HG1 PRO 52 80.595 5.391 2.363
260 1HD PRO 52 HD2 PRO 52 82.025 7.977 2.876
261 2HD PRO 52 HD1 PRO 52 81.011 7.020 3.978
262 H GLU 53 HN GLU 53 85.711 4.219 2.842
263 HA GLU 53 HA GLU 53 87.171 5.837 1.037
264 1HB GLU 53 HB2 GLU 53 88.820 6.464 2.965
265 2HB GLU 53 HB1 GLU 53 87.400 7.449 2.649
266 1HG GLU 53 HG2 GLU 53 86.811 5.300 4.479
267 2HG GLU 53 HG1 GLU 53 88.129 6.311 5.062
268 H ILE 54 HN ILE 54 88.961 4.713 3.696
269 HA ILE 54 HA ILE 54 89.778 2.311 2.179
270 HB ILE 54 HB ILE 54 91.758 3.338 4.096
271 1HG1 ILE 54 2HG1 ILE 54 91.114 4.953 1.614
272 2HG1 ILE 54 1HG1 ILE 54 91.019 5.491 3.284
273 1HG2 ILE 54 1HG2 ILE 54 92.968 3.048 1.642
274 2HG2 ILE 54 2HG2 ILE 54 91.652 1.880 1.586
275 3HG2 ILE 54 3HG2 ILE 54 92.832 1.810 2.890
276 1HD1 ILE 54 1HD1 ILE 54 93.296 5.679 3.493
277 2HD1 ILE 54 2HD1 ILE 54 93.044 6.148 1.813
278 3HD1 ILE 54 3HD1 ILE 54 93.619 4.529 2.198
279 H LEU 55 HN LEU 55 88.367 3.516 4.943
280 HA LEU 55 HA LEU 55 87.994 2.732 7.068
281 1HB LEU 55 HB2 LEU 55 87.292 0.775 5.091
282 2HB LEU 55 HB1 LEU 55 87.777 -0.036 6.567
283 HG LEU 55 HG LEU 55 86.114 1.821 7.598
284 1HD1 LEU 55 1HD1 LEU 55 84.324 2.352 6.241
285 2HD1 LEU 55 2HD1 LEU 55 84.668 1.052 5.099
286 3HD1 LEU 55 3HD1 LEU 55 85.685 2.494 5.126
287 1HD2 LEU 55 1HD2 LEU 55 84.847 0.040 8.164
288 2HD2 LEU 55 2HD2 LEU 55 86.184 -0.865 7.456
289 3HD2 LEU 55 3HD2 LEU 55 84.736 -0.545 6.504
290 H ALA 56 HN ALA 56 90.873 2.746 6.276
291 HA ALA 56 HA ALA 56 92.848 2.222 7.272
292 1HB ALA 56 HB1 ALA 56 91.861 0.383 9.303
293 2HB ALA 56 HB2 ALA 56 91.028 1.937 9.301
294 3HB ALA 56 HB3 ALA 56 92.781 1.877 9.474
295 H MET 57 HN MET 57 90.649 -0.306 6.394
296 HA MET 57 HA MET 57 90.958 -2.295 5.380
297 1HB MET 57 HB2 MET 57 93.552 -0.957 4.953
298 2HB MET 57 HB1 MET 57 93.581 -2.709 4.818
299 1HG MET 57 HG2 MET 57 91.466 -1.194 3.385
300 2HG MET 57 HG1 MET 57 93.107 -1.190 2.742
301 1HE MET 57 HE1 MET 57 90.875 -3.988 4.540
302 2HE MET 57 HE2 MET 57 90.291 -4.803 3.092
303 3HE MET 57 HE3 MET 57 89.869 -3.116 3.384
304 H HIS 58 HN HIS 58 94.154 -2.212 6.913
305 HA HIS 58 HA HIS 58 93.567 -4.714 8.243
306 1HB HIS 58 HB2 HIS 58 95.939 -4.547 9.018
307 2HB HIS 58 HB1 HIS 58 95.757 -4.488 7.268
308 HD2 HIS 58 HD2 HIS 58 97.255 -2.467 10.127
309 HE1 HIS 58 HE1 HIS 58 97.358 -0.046 6.659
310 HE2 HIS 58 HE2 HIS 58 98.289 -0.377 8.993
311 H GLU 59 HN GLU 59 94.410 -1.404 9.202
312 HA GLU 59 HA GLU 59 94.092 -1.956 12.003
313 1HB GLU 59 HB2 GLU 59 94.762 0.415 10.337
314 2HB GLU 59 HB1 GLU 59 94.095 0.722 11.933
315 1HG GLU 59 HG2 GLU 59 96.187 -1.281 11.992
316 2HG GLU 59 HG1 GLU 59 96.741 0.248 11.314
317 H ASN 60 HN ASN 60 92.678 0.141 13.024
318 HA ASN 60 HA ASN 60 89.963 -0.393 12.015
319 1HB ASN 60 HB2 ASN 60 90.929 -0.871 14.522
320 2HB ASN 60 HB1 ASN 60 90.227 0.732 14.726
321 1HD2 ASN 60 1HD2 ASN 60 89.607 -2.608 14.029
322 2HD2 ASN 60 2HD2 ASN 60 87.881 -2.537 14.208
323 H VAL 61 HN VAL 61 89.474 1.247 10.679
324 HA VAL 61 HA VAL 61 88.815 3.329 10.032
325 HB VAL 61 HB VAL 61 89.344 4.315 12.827
326 1HG1 VAL 61 1HG1 VAL 61 87.071 5.505 11.896
327 2HG1 VAL 61 2HG1 VAL 61 88.036 5.351 10.428
328 3HG1 VAL 61 3HG1 VAL 61 88.687 6.205 11.827
329 1HG2 VAL 61 1HG2 VAL 61 87.013 2.729 11.782
330 2HG2 VAL 61 2HG2 VAL 61 86.887 3.776 13.194
331 3HG2 VAL 61 3HG2 VAL 61 88.004 2.414 13.206
332 H LEU 62 HN LEU 62 89.958 4.698 8.832
333 HA LEU 62 HA LEU 62 91.579 6.149 8.156
334 1HB LEU 62 HB2 LEU 62 91.494 7.010 10.525
335 2HB LEU 62 HB1 LEU 62 92.808 5.919 10.902
336 HG LEU 62 HG LEU 62 94.119 7.111 9.054
337 1HD1 LEU 62 1HD1 LEU 62 91.869 9.073 9.437
338 2HD1 LEU 62 2HD1 LEU 62 92.317 8.245 7.947
339 3HD1 LEU 62 3HD1 LEU 62 93.402 9.445 8.650
340 1HD2 LEU 62 1HD2 LEU 62 94.676 7.406 11.367
341 2HD2 LEU 62 2HD2 LEU 62 93.334 8.529 11.594
342 3HD2 LEU 62 3HD2 LEU 62 94.702 8.985 10.578
343 H LYS 63 HN LYS 63 93.572 4.346 10.472
344 HA LYS 63 HA LYS 63 94.518 2.386 8.721
345 1HB LYS 63 HB2 LYS 63 95.530 4.920 8.073
346 2HB LYS 63 HB1 LYS 63 96.836 4.107 8.924
347 1HG LYS 63 HG2 LYS 63 96.947 2.384 7.346
348 2HG LYS 63 HG1 LYS 63 95.365 2.782 6.674
349 1HD LYS 63 HD2 LYS 63 96.898 3.598 5.099
350 2HD LYS 63 HD1 LYS 63 96.403 5.022 6.016
351 1HE LYS 63 HE2 LYS 63 98.769 5.130 5.758
352 2HE LYS 63 HE1 LYS 63 98.439 4.709 7.438
353 1HZ LYS 63 HZ1 LYS 63 98.759 2.440 5.678
354 2HZ LYS 63 HZ2 LYS 63 99.418 2.725 7.210
355 3HZ LYS 63 HZ3 LYS 63 100.149 3.394 5.839
Start of MODEL 5
1 H ARG 16 HN ARG 16 94.577 -10.242 -2.823
2 HA ARG 16 HA ARG 16 93.678 -12.038 -3.889
3 1HB ARG 16 HB2 ARG 16 96.136 -13.119 -2.672
4 2HB ARG 16 HB1 ARG 16 94.915 -14.322 -3.067
5 1HG ARG 16 HG2 ARG 16 95.535 -14.273 -5.187
6 2HG ARG 16 HG1 ARG 16 95.143 -12.556 -5.275
7 1HD ARG 16 HD2 ARG 16 97.315 -12.218 -5.646
8 2HD ARG 16 HD1 ARG 16 97.558 -12.594 -3.940
9 HE ARG 16 HE ARG 16 97.585 -15.028 -5.107
10 1HH1 ARG 16 1HH1 ARG 16 99.302 -12.061 -5.764
11 2HH1 ARG 16 2HH1 ARG 16 100.702 -12.863 -6.393
12 1HH2 ARG 16 1HH2 ARG 16 99.426 -16.085 -5.933
13 2HH2 ARG 16 2HH2 ARG 16 100.772 -15.148 -6.489
14 H GLU 17 HN GLU 17 92.741 -11.146 -1.243
15 HA GLU 17 HA GLU 17 91.029 -13.426 -0.687
16 1HB GLU 17 HB2 GLU 17 92.764 -12.134 1.423
17 2HB GLU 17 HB1 GLU 17 91.396 -13.177 1.785
18 1HG GLU 17 HG2 GLU 17 92.554 -14.943 0.388
19 2HG GLU 17 HG1 GLU 17 93.974 -13.897 0.429
20 H SER 18 HN SER 18 91.690 -10.517 1.232
21 HA SER 18 HA SER 18 88.924 -9.640 0.719
22 1HB SER 18 HB2 SER 18 90.659 -9.616 3.112
23 2HB SER 18 HB1 SER 18 89.719 -8.147 2.856
24 HG SER 18 HG SER 18 87.868 -9.602 2.623
25 H LYS 19 HN LYS 19 88.583 -7.724 -0.296
26 HA LYS 19 HA LYS 19 90.944 -6.201 -1.060
27 1HB LYS 19 HB2 LYS 19 88.154 -5.811 -2.117
28 2HB LYS 19 HB1 LYS 19 89.669 -5.320 -2.857
29 1HG LYS 19 HG2 LYS 19 89.202 -8.217 -2.375
30 2HG LYS 19 HG1 LYS 19 88.338 -7.429 -3.695
31 1HD LYS 19 HD2 LYS 19 90.478 -6.654 -4.616
32 2HD LYS 19 HD1 LYS 19 91.331 -7.467 -3.303
33 1HE LYS 19 HE2 LYS 19 89.484 -9.225 -4.697
34 2HE LYS 19 HE1 LYS 19 90.705 -8.542 -5.769
35 1HZ LYS 19 HZ1 LYS 19 91.835 -10.334 -5.003
36 2HZ LYS 19 HZ2 LYS 19 91.025 -10.376 -3.520
37 3HZ LYS 19 HZ3 LYS 19 92.257 -9.246 -3.777
38 H CYS 20 HN CYS 20 89.934 -3.778 -1.625
39 HA CYS 20 HA CYS 20 89.586 -2.632 1.020
40 1HB CYS 20 HB2 CYS 20 91.244 -1.664 -0.542
41 2HB CYS 20 HB1 CYS 20 89.930 -1.232 -1.635
42 HA PRO 21 HA PRO 21 85.752 -0.867 -1.621
43 1HB PRO 21 HB2 PRO 21 85.117 -3.567 -2.721
44 2HB PRO 21 HB1 PRO 21 84.814 -1.971 -3.420
45 1HG PRO 21 HG2 PRO 21 86.822 -3.484 -4.300
46 2HG PRO 21 HG1 PRO 21 86.999 -1.727 -4.148
47 1HD PRO 21 HD2 PRO 21 88.108 -3.895 -2.447
48 2HD PRO 21 HD1 PRO 21 88.779 -2.297 -2.819
49 H THR 22 HN THR 22 85.607 -1.022 0.798
50 HA THR 22 HA THR 22 84.006 -3.272 1.745
51 HB THR 22 HB THR 22 86.001 -1.885 2.927
52 HG1 THR 22 HG1 THR 22 85.251 -2.833 4.869
53 1HG2 THR 22 1HG2 THR 22 85.297 -0.419 4.598
54 2HG2 THR 22 2HG2 THR 22 83.593 -0.790 4.332
55 3HG2 THR 22 3HG2 THR 22 84.491 0.139 3.132
56 HA PRO 23 HA PRO 23 79.906 -1.621 2.056
57 1HB PRO 23 HB2 PRO 23 80.491 -0.649 4.836
58 2HB PRO 23 HB1 PRO 23 79.047 -1.461 4.214
59 1HG PRO 23 HG2 PRO 23 80.869 -2.832 5.577
60 2HG PRO 23 HG1 PRO 23 80.080 -3.542 4.156
61 1HD PRO 23 HD2 PRO 23 82.846 -2.525 4.472
62 2HD PRO 23 HD1 PRO 23 82.227 -3.784 3.387
63 H GLY 24 HN GLY 24 82.513 0.421 3.209
64 1HA GLY 24 HA2 GLY 24 81.014 2.844 2.591
65 2HA GLY 24 HA1 GLY 24 82.584 2.765 3.373
66 H CYS 25 HN CYS 25 84.421 1.998 1.950
67 HA CYS 25 HA CYS 25 84.855 3.691 -0.145
68 1HB CYS 25 HB2 CYS 25 86.631 2.263 0.906
69 2HB CYS 25 HB1 CYS 25 85.992 0.890 -0.003
70 H ASP 26 HN ASP 26 85.043 3.358 -2.491
71 HA ASP 26 HA ASP 26 82.794 1.736 -3.465
72 1HB ASP 26 HB2 ASP 26 82.891 4.234 -3.902
73 2HB ASP 26 HB1 ASP 26 84.264 3.910 -4.955
74 H GLY 27 HN GLY 27 86.224 2.391 -3.959
75 1HA GLY 27 HA2 GLY 27 87.835 0.889 -4.754
76 2HA GLY 27 HA1 GLY 27 86.550 -0.198 -5.232
77 H THR 28 HN THR 28 86.902 3.148 -5.961
78 HA THR 28 HA THR 28 87.743 2.747 -8.626
79 HB THR 28 HB THR 28 84.920 3.049 -7.909
80 HG1 THR 28 HG1 THR 28 85.498 1.356 -9.171
81 1HG2 THR 28 1HG2 THR 28 86.076 4.938 -9.911
82 2HG2 THR 28 2HG2 THR 28 84.867 5.228 -8.657
83 3HG2 THR 28 3HG2 THR 28 84.444 4.296 -10.095
84 H GLY 29 HN GLY 29 89.271 3.969 -7.107
85 1HA GLY 29 HA2 GLY 29 89.484 6.622 -7.952
86 2HA GLY 29 HA1 GLY 29 88.736 6.631 -6.358
87 H HIS 30 HN HIS 30 91.352 4.839 -7.947
88 HA HIS 30 HA HIS 30 92.935 4.121 -5.916
89 1HB HIS 30 HB2 HIS 30 93.236 4.139 -8.515
90 2HB HIS 30 HB1 HIS 30 94.338 5.435 -8.182
91 HD2 HIS 30 HD2 HIS 30 93.988 1.604 -7.769
92 HE1 HIS 30 HE1 HIS 30 97.949 2.708 -6.807
93 HE2 HIS 30 HE2 HIS 30 96.411 0.790 -7.382
94 H VAL 31 HN VAL 31 95.149 5.044 -5.417
95 HA VAL 31 HA VAL 31 94.891 7.081 -3.634
96 HB VAL 31 HB VAL 31 96.804 5.557 -3.658
97 1HG1 VAL 31 1HG1 VAL 31 98.252 5.351 -5.349
98 2HG1 VAL 31 2HG1 VAL 31 98.419 7.096 -5.539
99 3HG1 VAL 31 3HG1 VAL 31 97.069 6.251 -6.299
100 1HG2 VAL 31 1HG2 VAL 31 98.439 7.080 -2.841
101 2HG2 VAL 31 2HG2 VAL 31 96.859 7.760 -2.452
102 3HG2 VAL 31 3HG2 VAL 31 97.784 8.402 -3.809
103 H THR 32 HN THR 32 95.640 7.464 -7.084
104 HA THR 32 HA THR 32 95.589 10.370 -6.650
105 HB THR 32 HB THR 32 97.198 10.676 -8.354
106 HG1 THR 32 HG1 THR 32 97.933 8.675 -9.508
107 1HG2 THR 32 1HG2 THR 32 99.109 9.686 -7.576
108 2HG2 THR 32 2HG2 THR 32 98.316 8.137 -7.281
109 3HG2 THR 32 3HG2 THR 32 98.038 9.495 -6.187
110 H GLY 33 HN GLY 33 93.908 7.790 -7.836
111 1HA GLY 33 HA2 GLY 33 92.076 7.623 -9.189
112 2HA GLY 33 HA1 GLY 33 92.091 9.378 -9.277
113 H LEU 34 HN LEU 34 95.019 7.907 -10.005
114 HA LEU 34 HA LEU 34 94.658 8.500 -12.841
115 1HB LEU 34 HB2 LEU 34 97.220 8.016 -11.341
116 2HB LEU 34 HB1 LEU 34 97.065 8.573 -13.002
117 HG LEU 34 HG LEU 34 95.921 10.071 -10.690
118 1HD1 LEU 34 1HD1 LEU 34 97.900 10.992 -10.161
119 2HD1 LEU 34 2HD1 LEU 34 98.339 11.211 -11.854
120 3HD1 LEU 34 3HD1 LEU 34 98.630 9.664 -11.061
121 1HD2 LEU 34 1HD2 LEU 34 96.479 11.909 -12.571
122 2HD2 LEU 34 2HD2 LEU 34 94.938 11.056 -12.463
123 3HD2 LEU 34 3HD2 LEU 34 96.175 10.503 -13.594
124 H TYR 35 HN TYR 35 94.168 6.119 -10.880
125 HA TYR 35 HA TYR 35 95.253 4.053 -12.654
126 1HB TYR 35 HB2 TYR 35 94.378 3.580 -9.825
127 2HB TYR 35 HB1 TYR 35 95.294 2.493 -10.853
128 HD1 TYR 35 HD1 TYR 35 95.628 5.999 -9.708
129 HD2 TYR 35 HD2 TYR 35 97.492 2.230 -10.136
130 HE1 TYR 35 HE1 TYR 35 97.680 6.916 -8.704
131 HE2 TYR 35 HE2 TYR 35 99.559 3.122 -9.162
132 HH TYR 35 HH TYR 35 100.286 4.925 -7.736
133 HA PRO 36 HA PRO 36 91.046 2.998 -13.518
134 1HB PRO 36 HB2 PRO 36 91.621 0.153 -13.684
135 2HB PRO 36 HB1 PRO 36 91.295 1.288 -14.994
136 1HG PRO 36 HG2 PRO 36 93.732 0.137 -14.570
137 2HG PRO 36 HG1 PRO 36 93.517 1.715 -15.346
138 1HD PRO 36 HD2 PRO 36 94.304 1.079 -12.529
139 2HD PRO 36 HD1 PRO 36 94.907 2.355 -13.608
140 H HIS 37 HN HIS 37 91.427 3.368 -10.805
141 HA HIS 37 HA HIS 37 90.117 2.968 -8.944
142 1HB HIS 37 HB2 HIS 37 89.651 0.122 -9.800
143 2HB HIS 37 HB1 HIS 37 88.716 1.102 -8.686
144 HD2 HIS 37 HD2 HIS 37 88.024 3.623 -10.598
145 HE1 HIS 37 HE1 HIS 37 86.505 0.672 -13.223
146 HE2 HIS 37 HE2 HIS 37 86.645 3.157 -12.743
147 H HIS 38 HN HIS 38 90.272 0.939 -7.255
148 HA HIS 38 HA HIS 38 93.076 0.043 -7.348
149 1HB HIS 38 HB2 HIS 38 93.282 0.449 -4.890
150 2HB HIS 38 HB1 HIS 38 93.172 1.905 -5.865
151 HD1 HIS 38 HD1 HIS 38 91.086 3.386 -5.545
152 HD2 HIS 38 HD2 HIS 38 91.178 -0.025 -3.181
153 HE1 HIS 38 HE1 HIS 38 89.261 3.678 -3.813
154 H ARG 39 HN ARG 39 93.328 -2.006 -7.087
155 HA ARG 39 HA ARG 39 91.264 -3.818 -6.835
156 1HB ARG 39 HB2 ARG 39 94.036 -3.921 -7.220
157 2HB ARG 39 HB1 ARG 39 93.733 -4.923 -5.808
158 1HG ARG 39 HG2 ARG 39 92.692 -6.517 -6.998
159 2HG ARG 39 HG1 ARG 39 91.905 -5.357 -8.068
160 1HD ARG 39 HD2 ARG 39 94.844 -5.654 -8.304
161 2HD ARG 39 HD1 ARG 39 93.849 -6.986 -8.888
162 HE ARG 39 HE ARG 39 94.122 -4.374 -10.065
163 1HH1 ARG 39 1HH1 ARG 39 92.102 -7.208 -9.804
164 2HH1 ARG 39 2HH1 ARG 39 91.292 -6.923 -11.308
165 1HH2 ARG 39 1HH2 ARG 39 93.058 -3.998 -12.044
166 2HH2 ARG 39 2HH2 ARG 39 91.835 -5.101 -12.579
167 H SER 40 HN SER 40 93.267 -2.371 -4.315
168 HA SER 40 HA SER 40 91.456 -2.611 -2.278
169 1HB SER 40 HB2 SER 40 92.388 -4.570 -0.982
170 2HB SER 40 HB1 SER 40 91.463 -4.991 -2.419
171 HG SER 40 HG SER 40 93.376 -5.375 -3.512
172 H LEU 41 HN LEU 41 92.560 -0.590 -1.942
173 HA LEU 41 HA LEU 41 93.865 0.720 -0.630
174 1HB LEU 41 HB2 LEU 41 95.342 -1.709 0.327
175 2HB LEU 41 HB1 LEU 41 95.103 -0.180 1.154
176 HG LEU 41 HG LEU 41 92.800 -1.994 0.508
177 1HD1 LEU 41 1HD1 LEU 41 93.868 -3.479 1.852
178 2HD1 LEU 41 2HD1 LEU 41 93.149 -2.469 3.106
179 3HD1 LEU 41 3HD1 LEU 41 94.836 -2.238 2.644
180 1HD2 LEU 41 1HD2 LEU 41 92.466 0.422 1.119
181 2HD2 LEU 41 2HD2 LEU 41 93.100 0.022 2.710
182 3HD2 LEU 41 3HD2 LEU 41 91.630 -0.752 2.130
183 H SER 42 HN SER 42 95.058 -1.251 -3.078
184 HA SER 42 HA SER 42 97.801 -0.812 -3.046
185 1HB SER 42 HB2 SER 42 97.495 -0.769 -5.637
186 2HB SER 42 HB1 SER 42 97.072 -2.237 -4.757
187 HG SER 42 HG SER 42 95.008 -1.904 -5.161
188 H GLY 43 HN GLY 43 95.160 1.310 -3.654
189 1HA GLY 43 HA2 GLY 43 97.002 3.571 -3.973
190 2HA GLY 43 HA1 GLY 43 95.596 3.413 -5.002
191 H CYS 44 HN CYS 44 93.535 3.293 -3.990
192 HA CYS 44 HA CYS 44 91.986 4.646 -2.820
193 1HB CYS 44 HB2 CYS 44 92.377 2.299 -1.799
194 2HB CYS 44 HB1 CYS 44 93.141 3.171 -0.477
195 HA PRO 45 HA PRO 45 94.353 7.857 -0.491
196 1HB PRO 45 HB2 PRO 45 94.040 9.879 -2.108
197 2HB PRO 45 HB1 PRO 45 95.012 8.512 -2.674
198 1HG PRO 45 HG2 PRO 45 92.191 9.247 -3.357
199 2HG PRO 45 HG1 PRO 45 93.445 8.575 -4.402
200 1HD PRO 45 HD2 PRO 45 91.407 7.140 -3.016
201 2HD PRO 45 HD1 PRO 45 92.759 6.447 -3.921
202 H HIS 46 HN HIS 46 91.122 7.305 -1.128
203 HA HIS 46 HA HIS 46 89.620 9.479 -0.876
204 1HB HIS 46 HB2 HIS 46 89.300 6.915 0.680
205 2HB HIS 46 HB1 HIS 46 88.062 8.156 0.590
206 HD2 HIS 46 HD2 HIS 46 88.796 4.947 -1.023
207 HE1 HIS 46 HE1 HIS 46 86.686 7.161 -3.916
208 HE2 HIS 46 HE2 HIS 46 87.643 4.900 -3.331
209 H LYS 47 HN LYS 47 90.922 7.821 2.001
210 HA LYS 47 HA LYS 47 91.635 10.183 3.369
211 1HB LYS 47 HB2 LYS 47 88.930 9.070 3.803
212 2HB LYS 47 HB1 LYS 47 89.803 9.666 5.204
213 1HG LYS 47 HG2 LYS 47 90.130 11.762 3.596
214 2HG LYS 47 HG1 LYS 47 88.622 11.131 2.930
215 1HD LYS 47 HD2 LYS 47 87.427 11.672 4.771
216 2HD LYS 47 HD1 LYS 47 88.749 11.275 5.870
217 1HE LYS 47 HE2 LYS 47 89.797 13.447 4.729
218 2HE LYS 47 HE1 LYS 47 88.088 13.833 4.525
219 1HZ LYS 47 HZ1 LYS 47 89.338 13.101 7.118
220 2HZ LYS 47 HZ2 LYS 47 87.754 13.641 6.873
221 3HZ LYS 47 HZ3 LYS 47 89.053 14.691 6.611
222 H ASP 48 HN ASP 48 90.101 7.205 4.196
223 HA ASP 48 HA ASP 48 91.550 5.272 4.774
224 1HB ASP 48 HB2 ASP 48 93.336 6.815 5.487
225 2HB ASP 48 HB1 ASP 48 92.368 7.214 6.893
226 H ARG 49 HN ARG 49 89.357 7.485 6.004
227 HA ARG 49 HA ARG 49 88.486 6.161 8.358
228 1HB ARG 49 HB2 ARG 49 88.078 8.617 7.315
229 2HB ARG 49 HB1 ARG 49 86.560 7.845 6.882
230 1HG ARG 49 HG2 ARG 49 86.040 7.400 9.156
231 2HG ARG 49 HG1 ARG 49 87.660 7.859 9.678
232 1HD ARG 49 HD2 ARG 49 86.721 9.847 10.120
233 2HD ARG 49 HD1 ARG 49 86.866 10.110 8.383
234 HE ARG 49 HE ARG 49 84.422 8.809 9.149
235 1HH1 ARG 49 1HH1 ARG 49 86.013 11.887 8.743
236 2HH1 ARG 49 2HH1 ARG 49 84.536 12.764 8.517
237 1HH2 ARG 49 1HH2 ARG 49 82.476 9.959 8.852
238 2HH2 ARG 49 2HH2 ARG 49 82.528 11.669 8.580
239 H VAL 50 HN VAL 50 86.719 4.875 8.737
240 HA VAL 50 HA VAL 50 86.116 2.812 7.109
241 HB VAL 50 HB VAL 50 85.404 2.590 9.310
242 1HG1 VAL 50 1HG1 VAL 50 83.282 4.648 9.253
243 2HG1 VAL 50 2HG1 VAL 50 84.948 5.203 9.406
244 3HG1 VAL 50 3HG1 VAL 50 84.282 4.081 10.588
245 1HG2 VAL 50 1HG2 VAL 50 83.732 1.925 7.303
246 2HG2 VAL 50 2HG2 VAL 50 82.663 2.914 8.298
247 3HG2 VAL 50 3HG2 VAL 50 83.460 1.505 8.995
248 HA PRO 51 HA PRO 51 82.143 5.226 5.365
249 1HB PRO 51 HB2 PRO 51 83.075 7.791 4.667
250 2HB PRO 51 HB1 PRO 51 81.899 7.411 5.928
251 1HG PRO 51 HG2 PRO 51 84.819 7.933 6.152
252 2HG PRO 51 HG1 PRO 51 83.512 8.349 7.274
253 1HD PRO 51 HD2 PRO 51 85.165 6.330 7.796
254 2HD PRO 51 HD1 PRO 51 83.439 6.211 8.175
255 HA PRO 52 HA PRO 52 83.405 4.638 1.168
256 1HB PRO 52 HB2 PRO 52 83.029 7.186 -0.002
257 2HB PRO 52 HB1 PRO 52 81.895 5.835 -0.007
258 1HG PRO 52 HG2 PRO 52 82.001 8.213 1.771
259 2HG PRO 52 HG1 PRO 52 80.598 7.291 1.204
260 1HD PRO 52 HD2 PRO 52 81.478 7.060 3.713
261 2HD PRO 52 HD1 PRO 52 80.870 5.647 2.827
262 H GLU 53 HN GLU 53 85.614 4.674 2.408
263 HA GLU 53 HA GLU 53 87.347 6.324 0.846
264 1HB GLU 53 HB2 GLU 53 87.321 6.358 3.841
265 2HB GLU 53 HB1 GLU 53 88.698 6.904 2.898
266 1HG GLU 53 HG2 GLU 53 87.751 8.866 2.477
267 2HG GLU 53 HG1 GLU 53 86.236 8.120 1.999
268 H ILE 54 HN ILE 54 88.768 4.914 3.606
269 HA ILE 54 HA ILE 54 89.666 2.626 1.976
270 HB ILE 54 HB ILE 54 91.588 3.614 3.975
271 1HG1 ILE 54 2HG1 ILE 54 91.193 5.108 1.371
272 2HG1 ILE 54 1HG1 ILE 54 90.776 5.732 2.960
273 1HG2 ILE 54 1HG2 ILE 54 92.746 2.099 2.852
274 2HG2 ILE 54 2HG2 ILE 54 92.813 3.244 1.512
275 3HG2 ILE 54 3HG2 ILE 54 91.538 2.029 1.570
276 1HD1 ILE 54 1HD1 ILE 54 93.500 5.131 1.857
277 2HD1 ILE 54 2HD1 ILE 54 93.205 5.407 3.574
278 3HD1 ILE 54 3HD1 ILE 54 92.852 6.678 2.403
279 H LEU 55 HN LEU 55 88.162 3.469 4.859
280 HA LEU 55 HA LEU 55 87.718 2.316 6.778
281 1HB LEU 55 HB2 LEU 55 86.838 0.790 4.983
282 2HB LEU 55 HB1 LEU 55 88.337 -0.105 5.095
283 HG LEU 55 HG LEU 55 86.086 -0.796 6.385
284 1HD1 LEU 55 1HD1 LEU 55 87.468 -2.486 6.737
285 2HD1 LEU 55 2HD1 LEU 55 88.109 -1.617 8.131
286 3HD1 LEU 55 3HD1 LEU 55 88.877 -1.441 6.553
287 1HD2 LEU 55 1HD2 LEU 55 87.582 0.995 8.284
288 2HD2 LEU 55 2HD2 LEU 55 86.479 -0.272 8.819
289 3HD2 LEU 55 3HD2 LEU 55 85.877 1.058 7.833
290 H ALA 56 HN ALA 56 90.536 3.066 6.240
291 HA ALA 56 HA ALA 56 92.550 2.864 7.267
292 1HB ALA 56 HB1 ALA 56 91.575 0.957 9.300
293 2HB ALA 56 HB2 ALA 56 90.772 2.526 9.227
294 3HB ALA 56 HB3 ALA 56 92.513 2.438 9.488
295 H MET 57 HN MET 57 91.553 0.807 5.291
296 HA MET 57 HA MET 57 92.408 -1.021 4.238
297 1HB MET 57 HB2 MET 57 94.698 -0.539 6.150
298 2HB MET 57 HB1 MET 57 94.720 -1.786 4.915
299 1HG MET 57 HG2 MET 57 94.915 -0.288 3.201
300 2HG MET 57 HG1 MET 57 94.135 1.011 4.100
301 1HE MET 57 HE1 MET 57 97.319 2.660 3.298
302 2HE MET 57 HE2 MET 57 96.006 1.824 2.470
303 3HE MET 57 HE3 MET 57 97.612 1.099 2.532
304 H HIS 58 HN HIS 58 93.649 -1.610 7.514
305 HA HIS 58 HA HIS 58 92.653 -4.292 7.513
306 1HB HIS 58 HB2 HIS 58 94.465 -2.705 9.095
307 2HB HIS 58 HB1 HIS 58 93.351 -3.572 10.147
308 HD2 HIS 58 HD2 HIS 58 96.662 -4.136 8.658
309 HE1 HIS 58 HE1 HIS 58 94.892 -7.976 8.876
310 HE2 HIS 58 HE2 HIS 58 97.076 -6.696 8.712
311 H GLU 59 HN GLU 59 91.589 -4.909 9.821
312 HA GLU 59 HA GLU 59 88.925 -4.279 9.683
313 1HB GLU 59 HB2 GLU 59 90.160 -6.072 11.084
314 2HB GLU 59 HB1 GLU 59 90.216 -4.838 12.335
315 1HG GLU 59 HG2 GLU 59 88.185 -5.425 12.968
316 2HG GLU 59 HG1 GLU 59 87.567 -4.902 11.401
317 H ASN 60 HN ASN 60 91.467 -2.431 11.186
318 HA ASN 60 HA ASN 60 89.931 -0.820 12.889
319 1HB ASN 60 HB2 ASN 60 92.528 -0.291 11.442
320 2HB ASN 60 HB1 ASN 60 91.828 0.836 12.601
321 1HD2 ASN 60 1HD2 ASN 60 94.266 -1.034 12.458
322 2HD2 ASN 60 2HD2 ASN 60 94.261 -1.802 14.015
323 H VAL 61 HN VAL 61 89.748 1.642 12.497
324 HA VAL 61 HA VAL 61 88.862 2.187 9.748
325 HB VAL 61 HB VAL 61 86.829 3.255 10.528
326 1HG1 VAL 61 1HG1 VAL 61 87.261 0.570 10.425
327 2HG1 VAL 61 2HG1 VAL 61 85.679 1.322 10.618
328 3HG1 VAL 61 3HG1 VAL 61 86.560 0.749 12.030
329 1HG2 VAL 61 1HG2 VAL 61 86.355 3.790 12.663
330 2HG2 VAL 61 2HG2 VAL 61 88.080 3.564 12.938
331 3HG2 VAL 61 3HG2 VAL 61 86.956 2.254 13.283
332 H LEU 62 HN LEU 62 89.341 4.242 8.985
333 HA LEU 62 HA LEU 62 90.291 6.305 8.949
334 1HB LEU 62 HB2 LEU 62 89.500 7.807 10.431
335 2HB LEU 62 HB1 LEU 62 88.477 6.469 10.903
336 HG LEU 62 HG LEU 62 90.792 6.216 12.482
337 1HD1 LEU 62 1HD1 LEU 62 90.360 8.640 13.571
338 2HD1 LEU 62 2HD1 LEU 62 90.168 9.026 11.861
339 3HD1 LEU 62 3HD1 LEU 62 91.664 8.292 12.435
340 1HD2 LEU 62 1HD2 LEU 62 89.305 6.281 14.225
341 2HD2 LEU 62 2HD2 LEU 62 88.218 5.916 12.884
342 3HD2 LEU 62 3HD2 LEU 62 88.338 7.564 13.499
343 H LYS 63 HN LYS 63 92.027 7.720 10.187
344 HA LYS 63 HA LYS 63 94.354 6.089 10.351
345 1HB LYS 63 HB2 LYS 63 94.011 8.636 9.673
346 2HB LYS 63 HB1 LYS 63 94.379 8.889 11.373
347 1HG LYS 63 HG2 LYS 63 96.388 9.090 10.066
348 2HG LYS 63 HG1 LYS 63 96.483 7.649 11.082
349 1HD LYS 63 HD2 LYS 63 96.245 6.209 9.290
350 2HD LYS 63 HD1 LYS 63 95.449 7.424 8.287
351 1HE LYS 63 HE2 LYS 63 97.496 7.427 7.291
352 2HE LYS 63 HE1 LYS 63 97.798 8.628 8.546
353 1HZ LYS 63 HZ1 LYS 63 98.407 6.335 9.805
354 2HZ LYS 63 HZ2 LYS 63 99.535 7.327 9.029
355 3HZ LYS 63 HZ3 LYS 63 98.901 5.981 8.226
Start of MODEL 6
1 H ARG 16 HN ARG 16 96.103 -13.145 -4.775
2 HA ARG 16 HA ARG 16 94.510 -10.793 -4.005
3 1HB ARG 16 HB2 ARG 16 93.866 -13.084 -5.858
4 2HB ARG 16 HB1 ARG 16 92.673 -11.912 -5.318
5 1HG ARG 16 HG2 ARG 16 93.292 -10.483 -6.890
6 2HG ARG 16 HG1 ARG 16 94.968 -10.541 -6.343
7 1HD ARG 16 HD2 ARG 16 95.567 -12.089 -7.901
8 2HD ARG 16 HD1 ARG 16 93.977 -12.849 -7.915
9 HE ARG 16 HE ARG 16 93.513 -10.445 -9.057
10 1HH1 ARG 16 1HH1 ARG 16 95.849 -12.963 -9.676
11 2HH1 ARG 16 2HH1 ARG 16 95.958 -12.617 -11.370
12 1HH2 ARG 16 1HH2 ARG 16 93.656 -9.989 -11.284
13 2HH2 ARG 16 2HH2 ARG 16 94.714 -10.929 -12.283
14 H GLU 17 HN GLU 17 93.318 -10.887 -2.245
15 HA GLU 17 HA GLU 17 92.343 -13.459 -1.249
16 1HB GLU 17 HB2 GLU 17 93.838 -11.463 0.468
17 2HB GLU 17 HB1 GLU 17 93.056 -12.929 1.044
18 1HG GLU 17 HG2 GLU 17 94.697 -13.921 -0.877
19 2HG GLU 17 HG1 GLU 17 95.644 -12.561 -0.272
20 H SER 18 HN SER 18 92.487 -10.019 -0.351
21 HA SER 18 HA SER 18 89.557 -9.908 -0.393
22 1HB SER 18 HB2 SER 18 91.078 -8.548 1.819
23 2HB SER 18 HB1 SER 18 89.364 -8.954 1.742
24 HG SER 18 HG SER 18 91.538 -10.750 2.055
25 H LYS 19 HN LYS 19 88.912 -7.428 -0.093
26 HA LYS 19 HA LYS 19 90.880 -5.811 -1.542
27 1HB LYS 19 HB2 LYS 19 87.940 -5.588 -2.101
28 2HB LYS 19 HB1 LYS 19 89.289 -4.967 -3.046
29 1HG LYS 19 HG2 LYS 19 89.268 -7.883 -2.744
30 2HG LYS 19 HG1 LYS 19 87.878 -7.228 -3.605
31 1HD LYS 19 HD2 LYS 19 89.597 -5.903 -4.973
32 2HD LYS 19 HD1 LYS 19 90.791 -7.017 -4.297
33 1HE LYS 19 HE2 LYS 19 90.227 -8.066 -6.272
34 2HE LYS 19 HE1 LYS 19 89.147 -8.853 -5.122
35 1HZ LYS 19 HZ1 LYS 19 87.640 -6.801 -5.895
36 2HZ LYS 19 HZ2 LYS 19 87.610 -8.314 -6.651
37 3HZ LYS 19 HZ3 LYS 19 88.527 -7.057 -7.314
38 H CYS 20 HN CYS 20 89.941 -3.467 -1.673
39 HA CYS 20 HA CYS 20 89.733 -2.562 1.068
40 1HB CYS 20 HB2 CYS 20 91.350 -1.504 -0.410
41 2HB CYS 20 HB1 CYS 20 90.064 -1.035 -1.517
42 HA PRO 21 HA PRO 21 85.773 -0.605 -1.342
43 1HB PRO 21 HB2 PRO 21 84.971 -3.373 -2.139
44 2HB PRO 21 HB1 PRO 21 84.582 -1.829 -2.908
45 1HG PRO 21 HG2 PRO 21 86.477 -3.403 -3.913
46 2HG PRO 21 HG1 PRO 21 86.670 -1.641 -3.893
47 1HD PRO 21 HD2 PRO 21 87.985 -3.702 -2.221
48 2HD PRO 21 HD1 PRO 21 88.586 -2.115 -2.728
49 H THR 22 HN THR 22 85.927 -0.604 1.094
50 HA THR 22 HA THR 22 84.455 -2.628 2.507
51 HB THR 22 HB THR 22 84.721 -0.549 4.245
52 HG1 THR 22 HG1 THR 22 85.891 0.888 3.271
53 1HG2 THR 22 1HG2 THR 22 87.225 -1.616 4.393
54 2HG2 THR 22 2HG2 THR 22 86.304 -2.908 3.625
55 3HG2 THR 22 3HG2 THR 22 85.787 -2.262 5.183
56 HA PRO 23 HA PRO 23 80.289 -1.132 2.829
57 1HB PRO 23 HB2 PRO 23 80.992 0.111 5.464
58 2HB PRO 23 HB1 PRO 23 79.580 -0.857 5.023
59 1HG PRO 23 HG2 PRO 23 81.611 -1.930 6.384
60 2HG PRO 23 HG1 PRO 23 80.740 -2.853 5.148
61 1HD PRO 23 HD2 PRO 23 83.465 -1.703 5.070
62 2HD PRO 23 HD1 PRO 23 82.795 -3.079 4.176
63 H GLY 24 HN GLY 24 82.899 1.059 3.657
64 1HA GLY 24 HA2 GLY 24 81.296 3.386 2.896
65 2HA GLY 24 HA1 GLY 24 82.878 3.423 3.663
66 H CYS 25 HN CYS 25 84.643 2.303 2.200
67 HA CYS 25 HA CYS 25 84.990 3.918 -0.036
68 1HB CYS 25 HB2 CYS 25 86.830 2.631 1.171
69 2HB CYS 25 HB1 CYS 25 86.280 1.204 0.279
70 H ASP 26 HN ASP 26 85.141 3.339 -2.317
71 HA ASP 26 HA ASP 26 83.035 1.427 -3.067
72 1HB ASP 26 HB2 ASP 26 82.814 3.929 -3.610
73 2HB ASP 26 HB1 ASP 26 84.078 3.655 -4.802
74 H GLY 27 HN GLY 27 86.315 2.516 -3.736
75 1HA GLY 27 HA2 GLY 27 88.069 1.144 -4.483
76 2HA GLY 27 HA1 GLY 27 86.892 -0.050 -4.968
77 H THR 28 HN THR 28 87.496 3.301 -5.744
78 HA THR 28 HA THR 28 88.075 2.722 -8.462
79 HB THR 28 HB THR 28 85.406 3.467 -7.589
80 HG1 THR 28 HG1 THR 28 85.099 2.038 -9.066
81 1HG2 THR 28 1HG2 THR 28 86.723 5.208 -9.632
82 2HG2 THR 28 2HG2 THR 28 85.723 5.668 -8.252
83 3HG2 THR 28 3HG2 THR 28 84.988 4.889 -9.655
84 H GLY 29 HN GLY 29 89.428 4.223 -9.283
85 1HA GLY 29 HA2 GLY 29 90.225 6.403 -9.673
86 2HA GLY 29 HA1 GLY 29 89.378 6.956 -8.237
87 H HIS 30 HN HIS 30 91.296 4.103 -7.987
88 HA HIS 30 HA HIS 30 92.908 3.725 -6.312
89 1HB HIS 30 HB2 HIS 30 93.622 3.949 -8.793
90 2HB HIS 30 HB1 HIS 30 94.578 5.280 -8.223
91 HD2 HIS 30 HD2 HIS 30 94.237 1.414 -7.601
92 HE1 HIS 30 HE1 HIS 30 98.234 2.625 -6.957
93 HE2 HIS 30 HE2 HIS 30 96.623 0.673 -6.919
94 H VAL 31 HN VAL 31 95.290 5.080 -5.861
95 HA VAL 31 HA VAL 31 94.540 6.875 -3.812
96 HB VAL 31 HB VAL 31 96.652 5.582 -3.797
97 1HG1 VAL 31 1HG1 VAL 31 98.138 7.531 -5.387
98 2HG1 VAL 31 2HG1 VAL 31 97.023 6.538 -6.325
99 3HG1 VAL 31 3HG1 VAL 31 98.264 5.773 -5.335
100 1HG2 VAL 31 1HG2 VAL 31 96.474 8.477 -3.258
101 2HG2 VAL 31 2HG2 VAL 31 98.096 7.787 -3.261
102 3HG2 VAL 31 3HG2 VAL 31 96.866 7.142 -2.175
103 H THR 32 HN THR 32 95.507 7.530 -7.167
104 HA THR 32 HA THR 32 94.888 10.349 -6.619
105 HB THR 32 HB THR 32 97.229 10.376 -6.824
106 HG1 THR 32 HG1 THR 32 96.808 11.957 -8.151
107 1HG2 THR 32 1HG2 THR 32 98.524 9.263 -8.484
108 2HG2 THR 32 2HG2 THR 32 97.073 8.684 -9.303
109 3HG2 THR 32 3HG2 THR 32 97.488 8.071 -7.702
110 H GLY 33 HN GLY 33 93.478 7.928 -7.896
111 1HA GLY 33 HA2 GLY 33 91.959 7.626 -9.582
112 2HA GLY 33 HA1 GLY 33 92.031 9.360 -9.791
113 H LEU 34 HN LEU 34 95.027 7.815 -10.071
114 HA LEU 34 HA LEU 34 94.951 8.243 -12.957
115 1HB LEU 34 HB2 LEU 34 97.335 7.724 -11.202
116 2HB LEU 34 HB1 LEU 34 97.361 8.192 -12.897
117 HG LEU 34 HG LEU 34 96.053 9.871 -10.820
118 1HD1 LEU 34 1HD1 LEU 34 98.808 10.491 -11.790
119 2HD1 LEU 34 2HD1 LEU 34 98.609 9.323 -10.486
120 3HD1 LEU 34 3HD1 LEU 34 98.015 10.971 -10.290
121 1HD2 LEU 34 1HD2 LEU 34 95.432 10.411 -13.062
122 2HD2 LEU 34 2HD2 LEU 34 97.118 10.410 -13.583
123 3HD2 LEU 34 3HD2 LEU 34 96.535 11.662 -12.485
124 H TYR 35 HN TYR 35 94.221 5.863 -10.951
125 HA TYR 35 HA TYR 35 95.385 3.820 -12.737
126 1HB TYR 35 HB2 TYR 35 94.702 3.425 -9.841
127 2HB TYR 35 HB1 TYR 35 95.503 2.273 -10.888
128 HD1 TYR 35 HD1 TYR 35 96.041 5.871 -10.082
129 HD2 TYR 35 HD2 TYR 35 97.713 1.981 -10.235
130 HE1 TYR 35 HE1 TYR 35 98.209 6.788 -9.379
131 HE2 TYR 35 HE2 TYR 35 99.889 2.878 -9.545
132 HH TYR 35 HH TYR 35 100.817 4.784 -8.414
133 HA PRO 36 HA PRO 36 91.237 2.540 -13.498
134 1HB PRO 36 HB2 PRO 36 91.954 -0.289 -13.456
135 2HB PRO 36 HB1 PRO 36 91.503 0.720 -14.832
136 1HG PRO 36 HG2 PRO 36 94.018 -0.231 -14.467
137 2HG PRO 36 HG1 PRO 36 93.678 1.305 -15.282
138 1HD PRO 36 HD2 PRO 36 94.595 0.813 -12.474
139 2HD PRO 36 HD1 PRO 36 95.098 2.074 -13.621
140 H HIS 37 HN HIS 37 91.726 3.029 -10.769
141 HA HIS 37 HA HIS 37 90.410 2.749 -8.902
142 1HB HIS 37 HB2 HIS 37 89.860 -0.126 -9.575
143 2HB HIS 37 HB1 HIS 37 88.949 0.954 -8.533
144 HD2 HIS 37 HD2 HIS 37 88.156 3.324 -10.504
145 HE1 HIS 37 HE1 HIS 37 86.813 0.265 -13.100
146 HE2 HIS 37 HE2 HIS 37 86.559 2.703 -12.449
147 H HIS 38 HN HIS 38 90.518 0.872 -7.093
148 HA HIS 38 HA HIS 38 93.298 -0.081 -7.068
149 1HB HIS 38 HB2 HIS 38 93.435 0.478 -4.646
150 2HB HIS 38 HB1 HIS 38 93.331 1.880 -5.702
151 HD1 HIS 38 HD1 HIS 38 91.226 3.365 -5.479
152 HD2 HIS 38 HD2 HIS 38 91.293 0.055 -2.979
153 HE1 HIS 38 HE1 HIS 38 89.375 3.735 -3.771
154 H ARG 39 HN ARG 39 93.446 -2.142 -6.777
155 HA ARG 39 HA ARG 39 91.272 -3.829 -6.388
156 1HB ARG 39 HB2 ARG 39 94.227 -4.165 -6.395
157 2HB ARG 39 HB1 ARG 39 93.256 -5.483 -5.752
158 1HG ARG 39 HG2 ARG 39 92.518 -4.327 -8.390
159 2HG ARG 39 HG1 ARG 39 93.924 -5.387 -8.288
160 1HD ARG 39 HD2 ARG 39 92.650 -7.203 -8.103
161 2HD ARG 39 HD1 ARG 39 91.661 -6.469 -6.842
162 HE ARG 39 HE ARG 39 90.693 -5.272 -9.013
163 1HH1 ARG 39 1HH1 ARG 39 91.409 -8.637 -8.413
164 2HH1 ARG 39 2HH1 ARG 39 90.186 -9.217 -9.491
165 1HH2 ARG 39 1HH2 ARG 39 89.084 -6.037 -10.428
166 2HH2 ARG 39 2HH2 ARG 39 88.866 -7.742 -10.635
167 H SER 40 HN SER 40 93.404 -2.349 -4.014
168 HA SER 40 HA SER 40 91.687 -2.798 -1.881
169 1HB SER 40 HB2 SER 40 92.497 -4.686 -0.726
170 2HB SER 40 HB1 SER 40 92.401 -5.213 -2.403
171 HG SER 40 HG SER 40 94.392 -5.773 -1.372
172 H LEU 41 HN LEU 41 92.637 -0.553 -1.896
173 HA LEU 41 HA LEU 41 93.767 0.970 -0.626
174 1HB LEU 41 HB2 LEU 41 95.509 -1.194 0.507
175 2HB LEU 41 HB1 LEU 41 95.104 0.359 1.207
176 HG LEU 41 HG LEU 41 92.680 -1.083 0.836
177 1HD1 LEU 41 1HD1 LEU 41 94.954 -2.757 1.578
178 2HD1 LEU 41 2HD1 LEU 41 93.332 -3.213 1.058
179 3HD1 LEU 41 3HD1 LEU 41 93.632 -2.807 2.746
180 1HD2 LEU 41 1HD2 LEU 41 92.274 -0.361 2.940
181 2HD2 LEU 41 2HD2 LEU 41 93.672 0.662 2.610
182 3HD2 LEU 41 3HD2 LEU 41 93.869 -0.832 3.527
183 H SER 42 HN SER 42 95.267 -1.231 -2.762
184 HA SER 42 HA SER 42 97.903 -0.431 -2.850
185 1HB SER 42 HB2 SER 42 96.028 -1.688 -4.680
186 2HB SER 42 HB1 SER 42 97.156 -0.641 -5.541
187 HG SER 42 HG SER 42 97.845 -2.710 -3.721
188 H GLY 43 HN GLY 43 95.057 1.342 -3.607
189 1HA GLY 43 HA2 GLY 43 96.677 3.659 -4.341
190 2HA GLY 43 HA1 GLY 43 95.266 3.234 -5.282
191 H CYS 44 HN CYS 44 93.243 3.240 -4.301
192 HA CYS 44 HA CYS 44 91.576 4.380 -3.191
193 1HB CYS 44 HB2 CYS 44 92.655 2.680 -1.496
194 2HB CYS 44 HB1 CYS 44 93.185 4.150 -0.681
195 HA PRO 45 HA PRO 45 93.312 8.561 -2.686
196 1HB PRO 45 HB2 PRO 45 91.660 9.825 -4.277
197 2HB PRO 45 HB1 PRO 45 92.736 8.609 -4.977
198 1HG PRO 45 HG2 PRO 45 89.819 8.423 -4.353
199 2HG PRO 45 HG1 PRO 45 90.716 7.728 -5.712
200 1HD PRO 45 HD2 PRO 45 90.012 6.438 -3.267
201 2HD PRO 45 HD1 PRO 45 91.052 5.793 -4.552
202 H HIS 46 HN HIS 46 91.213 7.298 -0.817
203 HA HIS 46 HA HIS 46 89.463 9.591 -0.439
204 1HB HIS 46 HB2 HIS 46 89.394 6.903 0.912
205 2HB HIS 46 HB1 HIS 46 88.137 8.130 0.923
206 HD2 HIS 46 HD2 HIS 46 88.816 4.961 -0.770
207 HE1 HIS 46 HE1 HIS 46 86.663 7.189 -3.611
208 HE2 HIS 46 HE2 HIS 46 87.641 4.934 -3.065
209 H LYS 47 HN LYS 47 90.442 7.505 2.233
210 HA LYS 47 HA LYS 47 92.157 9.463 3.441
211 1HB LYS 47 HB2 LYS 47 89.308 9.214 4.157
212 2HB LYS 47 HB1 LYS 47 90.454 9.416 5.471
213 1HG LYS 47 HG2 LYS 47 90.104 11.280 3.137
214 2HG LYS 47 HG1 LYS 47 89.504 11.544 4.772
215 1HD LYS 47 HD2 LYS 47 91.893 11.368 5.557
216 2HD LYS 47 HD1 LYS 47 92.371 11.408 3.859
217 1HE LYS 47 HE2 LYS 47 91.161 13.571 3.637
218 2HE LYS 47 HE1 LYS 47 90.869 13.538 5.375
219 1HZ LYS 47 HZ1 LYS 47 93.602 13.364 4.262
220 2HZ LYS 47 HZ2 LYS 47 93.129 13.787 5.829
221 3HZ LYS 47 HZ3 LYS 47 92.857 14.856 4.546
222 H ASP 48 HN ASP 48 89.919 7.245 4.790
223 HA ASP 48 HA ASP 48 91.130 4.907 5.111
224 1HB ASP 48 HB2 ASP 48 93.014 6.321 6.074
225 2HB ASP 48 HB1 ASP 48 91.960 6.598 7.446
226 H ARG 49 HN ARG 49 89.362 7.488 6.432
227 HA ARG 49 HA ARG 49 88.120 6.350 8.648
228 1HB ARG 49 HB2 ARG 49 86.770 8.251 6.748
229 2HB ARG 49 HB1 ARG 49 86.466 8.056 8.467
230 1HG ARG 49 HG2 ARG 49 87.911 9.677 8.878
231 2HG ARG 49 HG1 ARG 49 89.199 8.672 8.208
232 1HD ARG 49 HD2 ARG 49 89.408 10.454 6.817
233 2HD ARG 49 HD1 ARG 49 88.167 9.576 5.926
234 HE ARG 49 HE ARG 49 86.612 11.176 6.536
235 1HH1 ARG 49 1HH1 ARG 49 89.632 11.744 8.197
236 2HH1 ARG 49 2HH1 ARG 49 89.184 13.331 8.723
237 1HH2 ARG 49 1HH2 ARG 49 86.026 13.260 7.232
238 2HH2 ARG 49 2HH2 ARG 49 87.139 14.191 8.178
239 H VAL 50 HN VAL 50 86.639 4.878 8.992
240 HA VAL 50 HA VAL 50 85.817 2.876 7.481
241 HB VAL 50 HB VAL 50 83.626 4.181 9.060
242 1HG1 VAL 50 1HG1 VAL 50 82.881 2.021 9.451
243 2HG1 VAL 50 2HG1 VAL 50 84.459 1.309 9.106
244 3HG1 VAL 50 3HG1 VAL 50 83.473 1.949 7.790
245 1HG2 VAL 50 1HG2 VAL 50 84.598 3.121 11.105
246 2HG2 VAL 50 2HG2 VAL 50 85.509 4.503 10.501
247 3HG2 VAL 50 3HG2 VAL 50 86.087 2.864 10.198
248 HA PRO 51 HA PRO 51 81.977 5.418 5.640
249 1HB PRO 51 HB2 PRO 51 83.448 8.015 5.528
250 2HB PRO 51 HB1 PRO 51 81.723 7.711 5.765
251 1HG PRO 51 HG2 PRO 51 83.240 8.401 7.822
252 2HG PRO 51 HG1 PRO 51 81.999 7.148 8.007
253 1HD PRO 51 HD2 PRO 51 84.958 6.864 7.751
254 2HD PRO 51 HD1 PRO 51 83.820 5.941 8.750
255 HA PRO 52 HA PRO 52 83.314 5.420 1.410
256 1HB PRO 52 HB2 PRO 52 83.084 8.379 1.134
257 2HB PRO 52 HB1 PRO 52 82.438 7.099 0.100
258 1HG PRO 52 HG2 PRO 52 80.843 8.405 1.773
259 2HG PRO 52 HG1 PRO 52 80.665 6.656 1.536
260 1HD PRO 52 HD2 PRO 52 81.856 8.149 3.825
261 2HD PRO 52 HD1 PRO 52 80.927 6.638 3.823
262 H GLU 53 HN GLU 53 85.511 5.170 2.803
263 HA GLU 53 HA GLU 53 87.408 6.806 1.407
264 1HB GLU 53 HB2 GLU 53 87.742 6.330 4.353
265 2HB GLU 53 HB1 GLU 53 88.722 7.357 3.319
266 1HG GLU 53 HG2 GLU 53 85.814 7.915 3.732
267 2HG GLU 53 HG1 GLU 53 87.008 8.420 4.910
268 H ILE 54 HN ILE 54 88.676 4.887 3.945
269 HA ILE 54 HA ILE 54 89.240 2.717 2.023
270 HB ILE 54 HB ILE 54 91.336 3.376 4.033
271 1HG1 ILE 54 2HG1 ILE 54 90.744 5.025 1.591
272 2HG1 ILE 54 1HG1 ILE 54 91.200 5.542 3.203
273 1HG2 ILE 54 1HG2 ILE 54 91.587 2.417 1.191
274 2HG2 ILE 54 2HG2 ILE 54 91.398 1.355 2.580
275 3HG2 ILE 54 3HG2 ILE 54 92.816 2.393 2.449
276 1HD1 ILE 54 1HD1 ILE 54 92.972 5.910 1.550
277 2HD1 ILE 54 2HD1 ILE 54 93.042 4.172 1.267
278 3HD1 ILE 54 3HD1 ILE 54 93.470 4.824 2.848
279 H LEU 55 HN LEU 55 88.429 3.657 5.230
280 HA LEU 55 HA LEU 55 87.901 2.522 7.122
281 1HB LEU 55 HB2 LEU 55 86.418 1.431 5.318
282 2HB LEU 55 HB1 LEU 55 87.540 0.086 5.386
283 HG LEU 55 HG LEU 55 86.352 0.987 7.958
284 1HD1 LEU 55 1HD1 LEU 55 84.271 -0.004 7.632
285 2HD1 LEU 55 2HD1 LEU 55 84.783 -0.813 6.154
286 3HD1 LEU 55 3HD1 LEU 55 84.526 0.931 6.159
287 1HD2 LEU 55 1HD2 LEU 55 87.700 -1.322 6.862
288 2HD2 LEU 55 2HD2 LEU 55 86.184 -1.775 7.643
289 3HD2 LEU 55 3HD2 LEU 55 87.409 -0.882 8.544
290 H ALA 56 HN ALA 56 90.730 2.221 5.815
291 HA ALA 56 HA ALA 56 92.674 1.083 6.192
292 1HB ALA 56 HB1 ALA 56 93.257 0.897 8.489
293 2HB ALA 56 HB2 ALA 56 91.565 0.789 8.974
294 3HB ALA 56 HB3 ALA 56 92.203 2.301 8.331
295 H MET 57 HN MET 57 90.333 -0.570 5.374
296 HA MET 57 HA MET 57 89.638 -2.741 5.245
297 1HB MET 57 HB2 MET 57 92.551 -2.642 4.926
298 2HB MET 57 HB1 MET 57 91.934 -4.238 5.330
299 1HG MET 57 HG2 MET 57 90.195 -3.480 3.394
300 2HG MET 57 HG1 MET 57 91.673 -2.679 2.864
301 1HE MET 57 HE1 MET 57 89.714 -6.039 2.899
302 2HE MET 57 HE2 MET 57 90.502 -6.009 4.476
303 3HE MET 57 HE3 MET 57 90.986 -7.202 3.271
304 H HIS 58 HN HIS 58 92.451 -3.629 7.181
305 HA HIS 58 HA HIS 58 90.632 -4.433 9.353
306 1HB HIS 58 HB2 HIS 58 92.081 -6.405 9.729
307 2HB HIS 58 HB1 HIS 58 91.323 -6.427 8.140
308 HD2 HIS 58 HD2 HIS 58 93.113 -5.680 6.002
309 HE1 HIS 58 HE1 HIS 58 96.520 -6.737 8.280
310 HE2 HIS 58 HE2 HIS 58 95.687 -6.008 5.999
311 H GLU 59 HN GLU 59 91.802 -4.756 11.456
312 HA GLU 59 HA GLU 59 93.028 -3.887 13.165
313 1HB GLU 59 HB2 GLU 59 94.971 -3.850 10.888
314 2HB GLU 59 HB1 GLU 59 95.419 -3.107 12.416
315 1HG GLU 59 HG2 GLU 59 95.161 -5.175 13.577
316 2HG GLU 59 HG1 GLU 59 94.472 -5.948 12.150
317 H ASN 60 HN ASN 60 91.938 -2.096 13.802
318 HA ASN 60 HA ASN 60 91.458 0.098 14.133
319 1HB ASN 60 HB2 ASN 60 94.051 0.079 14.251
320 2HB ASN 60 HB1 ASN 60 93.972 0.851 12.670
321 1HD2 ASN 60 1HD2 ASN 60 94.978 2.680 13.610
322 2HD2 ASN 60 2HD2 ASN 60 94.057 3.808 14.554
323 H VAL 61 HN VAL 61 91.072 2.222 12.993
324 HA VAL 61 HA VAL 61 90.994 2.316 10.150
325 HB VAL 61 HB VAL 61 89.169 0.702 10.498
326 1HG1 VAL 61 1HG1 VAL 61 88.462 1.337 12.721
327 2HG1 VAL 61 2HG1 VAL 61 87.093 1.433 11.614
328 3HG1 VAL 61 3HG1 VAL 61 87.914 2.906 12.131
329 1HG2 VAL 61 1HG2 VAL 61 87.664 1.688 9.029
330 2HG2 VAL 61 2HG2 VAL 61 89.163 2.563 8.728
331 3HG2 VAL 61 3HG2 VAL 61 87.898 3.296 9.712
332 H LEU 62 HN LEU 62 89.713 4.310 9.384
333 HA LEU 62 HA LEU 62 89.308 6.547 9.569
334 1HB LEU 62 HB2 LEU 62 87.682 5.574 11.314
335 2HB LEU 62 HB1 LEU 62 88.825 6.163 12.504
336 HG LEU 62 HG LEU 62 87.997 8.168 10.515
337 1HD1 LEU 62 1HD1 LEU 62 85.864 8.465 12.041
338 2HD1 LEU 62 2HD1 LEU 62 86.024 6.715 12.196
339 3HD1 LEU 62 3HD1 LEU 62 85.836 7.446 10.601
340 1HD2 LEU 62 1HD2 LEU 62 88.414 8.019 13.481
341 2HD2 LEU 62 2HD2 LEU 62 87.656 9.422 12.727
342 3HD2 LEU 62 3HD2 LEU 62 89.300 8.960 12.282
343 H LYS 63 HN LYS 63 90.752 8.095 9.486
344 HA LYS 63 HA LYS 63 93.275 7.918 10.716
345 1HB LYS 63 HB2 LYS 63 92.628 9.185 8.596
346 2HB LYS 63 HB1 LYS 63 92.043 10.460 9.656
347 1HG LYS 63 HG2 LYS 63 94.829 9.444 9.975
348 2HG LYS 63 HG1 LYS 63 94.446 10.568 8.670
349 1HD LYS 63 HD2 LYS 63 93.259 11.870 10.658
350 2HD LYS 63 HD1 LYS 63 94.461 10.995 11.609
351 1HE LYS 63 HE2 LYS 63 95.781 12.745 11.107
352 2HE LYS 63 HE1 LYS 63 95.992 11.906 9.571
353 1HZ LYS 63 HZ1 LYS 63 95.351 13.908 8.786
354 2HZ LYS 63 HZ2 LYS 63 94.481 14.322 10.176
355 3HZ LYS 63 HZ3 LYS 63 93.801 13.274 9.036
Start of MODEL 7
1 H ARG 16 HN ARG 16 92.997 -13.250 -4.949
2 HA ARG 16 HA ARG 16 93.812 -14.770 -3.450
3 1HB ARG 16 HB2 ARG 16 96.127 -13.727 -4.342
4 2HB ARG 16 HB1 ARG 16 96.189 -13.174 -2.674
5 1HG ARG 16 HG2 ARG 16 97.220 -15.165 -2.405
6 2HG ARG 16 HG1 ARG 16 95.553 -15.718 -2.227
7 1HD ARG 16 HD2 ARG 16 95.624 -16.077 -4.774
8 2HD ARG 16 HD1 ARG 16 97.375 -15.958 -4.598
9 HE ARG 16 HE ARG 16 96.708 -17.804 -2.746
10 1HH1 ARG 16 1HH1 ARG 16 95.971 -17.489 -6.143
11 2HH1 ARG 16 2HH1 ARG 16 95.880 -19.198 -6.409
12 1HH2 ARG 16 1HH2 ARG 16 96.589 -20.047 -3.092
13 2HH2 ARG 16 2HH2 ARG 16 96.225 -20.651 -4.676
14 H GLU 17 HN GLU 17 94.791 -11.527 -2.310
15 HA GLU 17 HA GLU 17 93.731 -12.128 0.323
16 1HB GLU 17 HB2 GLU 17 95.631 -10.249 -0.805
17 2HB GLU 17 HB1 GLU 17 94.502 -9.444 0.276
18 1HG GLU 17 HG2 GLU 17 96.488 -10.153 1.466
19 2HG GLU 17 HG1 GLU 17 95.066 -11.017 2.050
20 H SER 18 HN SER 18 92.539 -10.170 1.395
21 HA SER 18 HA SER 18 90.021 -9.949 0.131
22 1HB SER 18 HB2 SER 18 90.287 -7.902 2.102
23 2HB SER 18 HB1 SER 18 89.431 -9.437 2.235
24 HG SER 18 HG SER 18 92.040 -8.771 3.027
25 H LYS 19 HN LYS 19 89.266 -7.266 0.545
26 HA LYS 19 HA LYS 19 91.054 -5.700 -1.102
27 1HB LYS 19 HB2 LYS 19 88.865 -4.984 -2.390
28 2HB LYS 19 HB1 LYS 19 89.832 -6.350 -2.906
29 1HG LYS 19 HG2 LYS 19 87.410 -6.806 -2.924
30 2HG LYS 19 HG1 LYS 19 88.315 -7.896 -1.874
31 1HD LYS 19 HD2 LYS 19 87.701 -6.217 -0.002
32 2HD LYS 19 HD1 LYS 19 86.473 -5.650 -1.134
33 1HE LYS 19 HE2 LYS 19 86.767 -8.548 -0.399
34 2HE LYS 19 HE1 LYS 19 85.782 -7.435 0.549
35 1HZ LYS 19 HZ1 LYS 19 85.330 -7.505 -2.335
36 2HZ LYS 19 HZ2 LYS 19 84.226 -7.285 -1.073
37 3HZ LYS 19 HZ3 LYS 19 84.792 -8.836 -1.437
38 H CYS 20 HN CYS 20 90.053 -3.450 -1.445
39 HA CYS 20 HA CYS 20 89.462 -2.420 1.201
40 1HB CYS 20 HB2 CYS 20 91.241 -1.389 -0.160
41 2HB CYS 20 HB1 CYS 20 90.038 -0.935 -1.366
42 HA PRO 21 HA PRO 21 85.855 -0.586 -1.789
43 1HB PRO 21 HB2 PRO 21 85.339 -3.363 -2.781
44 2HB PRO 21 HB1 PRO 21 84.989 -1.814 -3.560
45 1HG PRO 21 HG2 PRO 21 87.110 -3.237 -4.292
46 2HG PRO 21 HG1 PRO 21 87.201 -1.472 -4.169
47 1HD PRO 21 HD2 PRO 21 88.330 -3.545 -2.384
48 2HD PRO 21 HD1 PRO 21 88.920 -1.910 -2.721
49 H THR 22 HN THR 22 85.392 -0.507 0.539
50 HA THR 22 HA THR 22 83.800 -2.699 1.609
51 HB THR 22 HB THR 22 83.736 -0.679 3.466
52 HG1 THR 22 HG1 THR 22 86.290 -0.566 2.263
53 1HG2 THR 22 1HG2 THR 22 86.195 -2.284 3.492
54 2HG2 THR 22 2HG2 THR 22 84.674 -3.172 3.465
55 3HG2 THR 22 3HG2 THR 22 85.000 -2.015 4.757
56 HA PRO 23 HA PRO 23 79.705 -1.056 1.177
57 1HB PRO 23 HB2 PRO 23 79.131 -0.151 3.794
58 2HB PRO 23 HB1 PRO 23 78.717 -1.724 3.110
59 1HG PRO 23 HG2 PRO 23 80.987 -0.959 4.866
60 2HG PRO 23 HG1 PRO 23 80.110 -2.495 4.764
61 1HD PRO 23 HD2 PRO 23 82.579 -2.221 3.755
62 2HD PRO 23 HD1 PRO 23 81.360 -3.229 2.950
63 H GLY 24 HN GLY 24 82.094 0.784 2.935
64 1HA GLY 24 HA2 GLY 24 80.785 3.319 2.337
65 2HA GLY 24 HA1 GLY 24 82.236 3.095 3.303
66 H CYS 25 HN CYS 25 84.183 2.187 1.964
67 HA CYS 25 HA CYS 25 84.865 4.080 0.041
68 1HB CYS 25 HB2 CYS 25 86.598 2.612 1.160
69 2HB CYS 25 HB1 CYS 25 86.007 1.268 0.163
70 H ASP 26 HN ASP 26 85.126 3.889 -2.290
71 HA ASP 26 HA ASP 26 82.915 2.367 -3.442
72 1HB ASP 26 HB2 ASP 26 83.160 4.829 -3.882
73 2HB ASP 26 HB1 ASP 26 84.626 4.462 -4.786
74 H GLY 27 HN GLY 27 86.410 2.805 -3.779
75 1HA GLY 27 HA2 GLY 27 87.950 1.196 -4.488
76 2HA GLY 27 HA1 GLY 27 86.612 0.161 -4.936
77 H THR 28 HN THR 28 87.291 3.429 -5.851
78 HA THR 28 HA THR 28 88.056 2.732 -8.498
79 HB THR 28 HB THR 28 85.331 3.394 -7.831
80 HG1 THR 28 HG1 THR 28 85.923 1.727 -9.237
81 1HG2 THR 28 1HG2 THR 28 86.680 5.241 -9.765
82 2HG2 THR 28 2HG2 THR 28 85.662 5.646 -8.382
83 3HG2 THR 28 3HG2 THR 28 84.950 4.895 -9.811
84 H GLY 29 HN GLY 29 89.469 4.193 -9.257
85 1HA GLY 29 HA2 GLY 29 90.234 6.407 -9.661
86 2HA GLY 29 HA1 GLY 29 89.375 6.944 -8.224
87 H HIS 30 HN HIS 30 91.219 4.053 -7.975
88 HA HIS 30 HA HIS 30 92.813 3.617 -6.299
89 1HB HIS 30 HB2 HIS 30 93.563 3.897 -8.776
90 2HB HIS 30 HB1 HIS 30 94.526 5.199 -8.152
91 HD2 HIS 30 HD2 HIS 30 94.125 1.323 -7.498
92 HE1 HIS 30 HE1 HIS 30 98.162 2.482 -7.043
93 HE2 HIS 30 HE2 HIS 30 96.578 0.529 -7.294
94 H VAL 31 HN VAL 31 95.239 5.064 -5.953
95 HA VAL 31 HA VAL 31 94.510 6.770 -3.825
96 HB VAL 31 HB VAL 31 96.624 5.513 -3.861
97 1HG1 VAL 31 1HG1 VAL 31 98.108 7.452 -5.440
98 2HG1 VAL 31 2HG1 VAL 31 96.928 6.550 -6.393
99 3HG1 VAL 31 3HG1 VAL 31 98.159 5.688 -5.466
100 1HG2 VAL 31 1HG2 VAL 31 96.808 8.501 -3.544
101 2HG2 VAL 31 2HG2 VAL 31 98.075 7.387 -3.034
102 3HG2 VAL 31 3HG2 VAL 31 96.477 7.298 -2.297
103 H THR 32 HN THR 32 95.368 7.522 -7.178
104 HA THR 32 HA THR 32 94.689 10.306 -6.545
105 HB THR 32 HB THR 32 97.048 10.347 -6.710
106 HG1 THR 32 HG1 THR 32 96.065 11.031 -9.277
107 1HG2 THR 32 1HG2 THR 32 96.838 8.772 -9.264
108 2HG2 THR 32 2HG2 THR 32 97.441 8.169 -7.720
109 3HG2 THR 32 3HG2 THR 32 98.315 9.441 -8.574
110 H GLY 33 HN GLY 33 93.293 7.947 -7.849
111 1HA GLY 33 HA2 GLY 33 91.787 7.655 -9.549
112 2HA GLY 33 HA1 GLY 33 91.869 9.388 -9.754
113 H LEU 34 HN LEU 34 94.857 7.823 -10.039
114 HA LEU 34 HA LEU 34 94.771 8.251 -12.928
115 1HB LEU 34 HB2 LEU 34 97.163 7.769 -11.175
116 2HB LEU 34 HB1 LEU 34 97.182 8.226 -12.873
117 HG LEU 34 HG LEU 34 95.844 9.905 -10.818
118 1HD1 LEU 34 1HD1 LEU 34 97.777 10.912 -10.155
119 2HD1 LEU 34 2HD1 LEU 34 98.556 10.677 -11.718
120 3HD1 LEU 34 3HD1 LEU 34 98.464 9.342 -10.567
121 1HD2 LEU 34 1HD2 LEU 34 95.203 10.607 -12.932
122 2HD2 LEU 34 2HD2 LEU 34 96.793 10.289 -13.627
123 3HD2 LEU 34 3HD2 LEU 34 96.559 11.673 -12.558
124 H TYR 35 HN TYR 35 94.109 5.846 -10.904
125 HA TYR 35 HA TYR 35 95.275 3.836 -12.732
126 1HB TYR 35 HB2 TYR 35 94.707 3.436 -9.808
127 2HB TYR 35 HB1 TYR 35 95.440 2.269 -10.886
128 HD1 TYR 35 HD1 TYR 35 96.070 5.872 -10.140
129 HD2 TYR 35 HD2 TYR 35 97.669 1.949 -10.340
130 HE1 TYR 35 HE1 TYR 35 98.284 6.755 -9.549
131 HE2 TYR 35 HE2 TYR 35 99.890 2.815 -9.763
132 HH TYR 35 HH TYR 35 100.920 4.703 -8.725
133 HA PRO 36 HA PRO 36 91.177 2.385 -13.412
134 1HB PRO 36 HB2 PRO 36 91.955 -0.423 -13.264
135 2HB PRO 36 HB1 PRO 36 91.502 0.530 -14.679
136 1HG PRO 36 HG2 PRO 36 94.029 -0.359 -14.243
137 2HG PRO 36 HG1 PRO 36 93.669 1.136 -15.126
138 1HD PRO 36 HD2 PRO 36 94.558 0.775 -12.288
139 2HD PRO 36 HD1 PRO 36 95.054 1.999 -13.477
140 H HIS 37 HN HIS 37 91.671 2.946 -10.670
141 HA HIS 37 HA HIS 37 90.357 2.689 -8.802
142 1HB HIS 37 HB2 HIS 37 89.756 -0.177 -9.453
143 2HB HIS 37 HB1 HIS 37 88.859 0.939 -8.438
144 HD2 HIS 37 HD2 HIS 37 88.541 3.301 -10.759
145 HE1 HIS 37 HE1 HIS 37 86.477 0.218 -12.792
146 HE2 HIS 37 HE2 HIS 37 87.027 2.692 -12.775
147 H HIS 38 HN HIS 38 90.382 0.838 -6.983
148 HA HIS 38 HA HIS 38 93.116 -0.237 -6.901
149 1HB HIS 38 HB2 HIS 38 93.273 0.362 -4.496
150 2HB HIS 38 HB1 HIS 38 93.229 1.751 -5.569
151 HD1 HIS 38 HD1 HIS 38 91.165 3.314 -5.389
152 HD2 HIS 38 HD2 HIS 38 91.155 0.079 -2.784
153 HE1 HIS 38 HE1 HIS 38 89.344 3.792 -3.664
154 H ARG 39 HN ARG 39 93.116 -2.312 -6.607
155 HA ARG 39 HA ARG 39 90.763 -3.767 -6.042
156 1HB ARG 39 HB2 ARG 39 93.619 -4.434 -6.533
157 2HB ARG 39 HB1 ARG 39 92.619 -5.660 -5.769
158 1HG ARG 39 HG2 ARG 39 92.582 -6.073 -8.098
159 2HG ARG 39 HG1 ARG 39 91.007 -5.403 -7.666
160 1HD ARG 39 HD2 ARG 39 92.686 -3.226 -8.300
161 2HD ARG 39 HD1 ARG 39 92.924 -4.436 -9.557
162 HE ARG 39 HE ARG 39 90.445 -3.023 -8.930
163 1HH1 ARG 39 1HH1 ARG 39 92.105 -5.410 -10.875
164 2HH1 ARG 39 2HH1 ARG 39 90.879 -5.441 -12.095
165 1HH2 ARG 39 1HH2 ARG 39 88.839 -3.074 -10.532
166 2HH2 ARG 39 2HH2 ARG 39 89.026 -4.116 -11.902
167 H SER 40 HN SER 40 93.113 -2.372 -3.941
168 HA SER 40 HA SER 40 91.748 -3.004 -1.621
169 1HB SER 40 HB2 SER 40 92.333 -5.351 -2.107
170 2HB SER 40 HB1 SER 40 94.039 -4.918 -2.101
171 HG SER 40 HG SER 40 92.305 -4.519 0.105
172 H LEU 41 HN LEU 41 92.650 -0.675 -1.833
173 HA LEU 41 HA LEU 41 93.869 0.881 -0.696
174 1HB LEU 41 HB2 LEU 41 95.762 -1.192 0.338
175 2HB LEU 41 HB1 LEU 41 95.287 0.329 1.065
176 HG LEU 41 HG LEU 41 92.971 -1.342 0.825
177 1HD1 LEU 41 1HD1 LEU 41 94.568 -2.738 2.773
178 2HD1 LEU 41 2HD1 LEU 41 95.281 -2.883 1.166
179 3HD1 LEU 41 3HD1 LEU 41 93.610 -3.380 1.439
180 1HD2 LEU 41 1HD2 LEU 41 93.742 -1.126 3.510
181 2HD2 LEU 41 2HD2 LEU 41 92.595 -0.115 2.633
182 3HD2 LEU 41 3HD2 LEU 41 94.292 0.357 2.728
183 H SER 42 HN SER 42 95.140 -1.316 -2.945
184 HA SER 42 HA SER 42 97.771 -0.664 -3.294
185 1HB SER 42 HB2 SER 42 97.014 -0.711 -5.873
186 2HB SER 42 HB1 SER 42 97.109 -2.174 -4.892
187 HG SER 42 HG SER 42 94.941 -0.968 -6.000
188 H GLY 43 HN GLY 43 94.950 1.262 -3.827
189 1HA GLY 43 HA2 GLY 43 96.622 3.589 -4.365
190 2HA GLY 43 HA1 GLY 43 95.218 3.273 -5.349
191 H CYS 44 HN CYS 44 93.180 3.123 -4.298
192 HA CYS 44 HA CYS 44 91.510 4.157 -3.096
193 1HB CYS 44 HB2 CYS 44 92.679 2.549 -1.413
194 2HB CYS 44 HB1 CYS 44 93.294 4.028 -0.684
195 HA PRO 45 HA PRO 45 93.112 8.392 -3.030
196 1HB PRO 45 HB2 PRO 45 91.074 9.557 -4.270
197 2HB PRO 45 HB1 PRO 45 92.174 8.492 -5.151
198 1HG PRO 45 HG2 PRO 45 89.402 7.985 -4.192
199 2HG PRO 45 HG1 PRO 45 90.220 7.371 -5.638
200 1HD PRO 45 HD2 PRO 45 89.876 6.023 -3.168
201 2HD PRO 45 HD1 PRO 45 90.876 5.499 -4.535
202 H HIS 46 HN HIS 46 91.276 7.099 -0.853
203 HA HIS 46 HA HIS 46 89.909 9.556 -0.048
204 1HB HIS 46 HB2 HIS 46 89.472 6.840 1.156
205 2HB HIS 46 HB1 HIS 46 88.385 8.221 1.105
206 HD2 HIS 46 HD2 HIS 46 88.725 4.959 -0.543
207 HE1 HIS 46 HE1 HIS 46 86.938 7.433 -3.451
208 HE2 HIS 46 HE2 HIS 46 87.304 5.045 -2.701
209 H LYS 47 HN LYS 47 90.813 7.032 2.296
210 HA LYS 47 HA LYS 47 92.286 7.040 4.024
211 1HB LYS 47 HB2 LYS 47 93.638 8.481 2.060
212 2HB LYS 47 HB1 LYS 47 93.721 9.508 3.484
213 1HG LYS 47 HG2 LYS 47 95.147 8.145 4.535
214 2HG LYS 47 HG1 LYS 47 94.290 6.696 4.012
215 1HD LYS 47 HD2 LYS 47 96.287 6.461 2.885
216 2HD LYS 47 HD1 LYS 47 95.308 7.294 1.675
217 1HE LYS 47 HE2 LYS 47 96.449 9.321 3.222
218 2HE LYS 47 HE1 LYS 47 97.738 8.144 2.983
219 1HZ LYS 47 HZ1 LYS 47 97.095 10.058 1.226
220 2HZ LYS 47 HZ2 LYS 47 96.199 8.761 0.613
221 3HZ LYS 47 HZ3 LYS 47 97.872 8.613 0.810
222 H ASP 48 HN ASP 48 90.120 7.649 5.013
223 HA ASP 48 HA ASP 48 90.569 10.137 6.523
224 1HB ASP 48 HB2 ASP 48 88.737 10.210 4.590
225 2HB ASP 48 HB1 ASP 48 87.751 9.473 5.851
226 H ARG 49 HN ARG 49 90.456 6.976 6.733
227 HA ARG 49 HA ARG 49 89.986 5.451 8.339
228 1HB ARG 49 HB2 ARG 49 90.397 6.067 10.569
229 2HB ARG 49 HB1 ARG 49 91.346 7.190 9.612
230 1HG ARG 49 HG2 ARG 49 90.230 8.965 10.379
231 2HG ARG 49 HG1 ARG 49 88.666 8.166 10.245
232 1HD ARG 49 HD2 ARG 49 89.231 6.885 12.312
233 2HD ARG 49 HD1 ARG 49 90.670 7.888 12.476
234 HE ARG 49 HE ARG 49 87.898 8.725 12.848
235 1HH1 ARG 49 1HH1 ARG 49 91.284 9.591 12.785
236 2HH1 ARG 49 2HH1 ARG 49 91.042 11.080 13.631
237 1HH2 ARG 49 1HH2 ARG 49 87.587 10.685 13.957
238 2HH2 ARG 49 2HH2 ARG 49 88.946 11.700 14.298
239 H VAL 50 HN VAL 50 87.793 6.302 6.892
240 HA VAL 50 HA VAL 50 85.640 5.632 8.756
241 HB VAL 50 HB VAL 50 85.206 7.820 6.714
242 1HG1 VAL 50 1HG1 VAL 50 83.248 6.546 7.589
243 2HG1 VAL 50 2HG1 VAL 50 83.193 8.275 7.915
244 3HG1 VAL 50 3HG1 VAL 50 83.639 7.151 9.195
245 1HG2 VAL 50 1HG2 VAL 50 85.537 9.502 8.316
246 2HG2 VAL 50 2HG2 VAL 50 86.922 8.432 8.489
247 3HG2 VAL 50 3HG2 VAL 50 85.599 8.343 9.643
248 HA PRO 51 HA PRO 51 84.379 2.474 5.930
249 1HB PRO 51 HB2 PRO 51 81.849 3.862 5.428
250 2HB PRO 51 HB1 PRO 51 82.142 2.302 6.187
251 1HG PRO 51 HG2 PRO 51 81.761 4.916 7.445
252 2HG PRO 51 HG1 PRO 51 81.706 3.303 8.175
253 1HD PRO 51 HD2 PRO 51 83.698 5.042 8.718
254 2HD PRO 51 HD1 PRO 51 83.981 3.292 8.617
255 HA PRO 52 HA PRO 52 83.521 4.973 1.936
256 1HB PRO 52 HB2 PRO 52 83.114 7.632 2.025
257 2HB PRO 52 HB1 PRO 52 81.809 6.467 2.280
258 1HG PRO 52 HG2 PRO 52 83.408 7.993 4.300
259 2HG PRO 52 HG1 PRO 52 81.661 7.697 4.251
260 1HD PRO 52 HD2 PRO 52 83.360 6.265 5.814
261 2HD PRO 52 HD1 PRO 52 81.866 5.591 5.142
262 H GLU 53 HN GLU 53 85.993 4.462 2.802
263 HA GLU 53 HA GLU 53 87.571 6.288 1.367
264 1HB GLU 53 HB2 GLU 53 87.711 6.297 4.357
265 2HB GLU 53 HB1 GLU 53 89.128 6.695 3.398
266 1HG GLU 53 HG2 GLU 53 88.375 8.787 3.523
267 2HG GLU 53 HG1 GLU 53 87.241 8.296 2.271
268 H ILE 54 HN ILE 54 89.129 4.788 3.994
269 HA ILE 54 HA ILE 54 89.855 2.453 2.347
270 HB ILE 54 HB ILE 54 92.016 3.369 4.101
271 1HG1 ILE 54 2HG1 ILE 54 91.134 5.099 1.789
272 2HG1 ILE 54 1HG1 ILE 54 91.402 5.574 3.460
273 1HG2 ILE 54 1HG2 ILE 54 92.894 1.823 2.769
274 2HG2 ILE 54 2HG2 ILE 54 93.012 3.099 1.562
275 3HG2 ILE 54 3HG2 ILE 54 91.631 2.010 1.558
276 1HD1 ILE 54 1HD1 ILE 54 93.504 4.707 1.494
277 2HD1 ILE 54 2HD1 ILE 54 93.797 5.118 3.184
278 3HD1 ILE 54 3HD1 ILE 54 93.209 6.349 2.065
279 H LEU 55 HN LEU 55 88.483 3.483 5.120
280 HA LEU 55 HA LEU 55 89.598 2.149 7.215
281 1HB LEU 55 HB2 LEU 55 87.616 3.600 7.366
282 2HB LEU 55 HB1 LEU 55 86.646 2.307 6.687
283 HG LEU 55 HG LEU 55 86.906 0.954 8.621
284 1HD1 LEU 55 1HD1 LEU 55 89.218 2.719 9.140
285 2HD1 LEU 55 2HD1 LEU 55 89.025 0.987 9.410
286 3HD1 LEU 55 3HD1 LEU 55 88.329 2.139 10.549
287 1HD2 LEU 55 1HD2 LEU 55 86.574 3.111 10.378
288 2HD2 LEU 55 2HD2 LEU 55 85.316 2.176 9.566
289 3HD2 LEU 55 3HD2 LEU 55 85.940 3.650 8.821
290 H ALA 56 HN ALA 56 88.323 0.652 4.462
291 HA ALA 56 HA ALA 56 87.235 -1.706 5.095
292 1HB ALA 56 HB1 ALA 56 89.579 -1.707 3.230
293 2HB ALA 56 HB2 ALA 56 88.096 -0.841 2.829
294 3HB ALA 56 HB3 ALA 56 88.054 -2.584 3.101
295 H MET 57 HN MET 57 90.782 -1.348 4.929
296 HA MET 57 HA MET 57 91.063 -3.736 6.609
297 1HB MET 57 HB2 MET 57 93.279 -2.262 5.193
298 2HB MET 57 HB1 MET 57 93.299 -3.905 5.813
299 1HG MET 57 HG2 MET 57 91.661 -2.908 3.493
300 2HG MET 57 HG1 MET 57 93.135 -3.869 3.398
301 1HE MET 57 HE1 MET 57 92.157 -7.362 4.480
302 2HE MET 57 HE2 MET 57 92.991 -6.146 5.450
303 3HE MET 57 HE3 MET 57 93.348 -6.300 3.729
304 H HIS 58 HN HIS 58 93.618 -3.262 7.626
305 HA HIS 58 HA HIS 58 93.203 -0.967 9.422
306 1HB HIS 58 HB2 HIS 58 92.728 -3.347 10.360
307 2HB HIS 58 HB1 HIS 58 94.482 -3.510 10.380
308 HD2 HIS 58 HD2 HIS 58 91.692 -1.361 12.098
309 HE1 HIS 58 HE1 HIS 58 95.279 -1.090 14.326
310 HE2 HIS 58 HE2 HIS 58 92.857 -0.353 14.184
311 H GLU 59 HN GLU 59 95.518 -3.127 7.852
312 HA GLU 59 HA GLU 59 97.922 -2.271 8.813
313 1HB GLU 59 HB2 GLU 59 96.998 -3.293 6.195
314 2HB GLU 59 HB1 GLU 59 98.556 -2.479 6.190
315 1HG GLU 59 HG2 GLU 59 99.127 -4.021 8.168
316 2HG GLU 59 HG1 GLU 59 97.739 -4.967 7.632
317 H ASN 60 HN ASN 60 97.324 -1.042 5.572
318 HA ASN 60 HA ASN 60 98.295 1.573 6.441
319 1HB ASN 60 HB2 ASN 60 99.020 0.139 4.295
320 2HB ASN 60 HB1 ASN 60 97.675 1.024 3.578
321 1HD2 ASN 60 1HD2 ASN 60 100.656 1.451 5.422
322 2HD2 ASN 60 2HD2 ASN 60 101.054 3.004 4.754
323 H VAL 61 HN VAL 61 95.911 1.184 7.472
324 HA VAL 61 HA VAL 61 94.037 2.683 5.763
325 HB VAL 61 HB VAL 61 93.421 0.646 7.911
326 1HG1 VAL 61 1HG1 VAL 61 91.661 2.405 6.243
327 2HG1 VAL 61 2HG1 VAL 61 91.632 2.140 7.986
328 3HG1 VAL 61 3HG1 VAL 61 91.084 0.869 6.889
329 1HG2 VAL 61 1HG2 VAL 61 93.969 -0.730 6.212
330 2HG2 VAL 61 2HG2 VAL 61 93.719 0.509 4.981
331 3HG2 VAL 61 3HG2 VAL 61 92.337 -0.348 5.667
332 H LEU 62 HN LEU 62 92.375 3.937 7.098
333 HA LEU 62 HA LEU 62 91.941 5.610 8.567
334 1HB LEU 62 HB2 LEU 62 93.796 4.177 10.463
335 2HB LEU 62 HB1 LEU 62 92.530 5.315 10.880
336 HG LEU 62 HG LEU 62 91.166 3.321 9.522
337 1HD1 LEU 62 1HD1 LEU 62 91.984 1.348 11.078
338 2HD1 LEU 62 2HD1 LEU 62 93.524 2.195 10.940
339 3HD1 LEU 62 3HD1 LEU 62 92.700 1.627 9.491
340 1HD2 LEU 62 1HD2 LEU 62 91.597 3.848 12.453
341 2HD2 LEU 62 2HD2 LEU 62 90.426 2.675 11.849
342 3HD2 LEU 62 3HD2 LEU 62 90.260 4.381 11.434
343 H LYS 63 HN LYS 63 94.459 5.551 6.847
344 HA LYS 63 HA LYS 63 96.448 7.038 8.224
345 1HB LYS 63 HB2 LYS 63 95.926 6.211 5.427
346 2HB LYS 63 HB1 LYS 63 96.942 7.630 5.638
347 1HG LYS 63 HG2 LYS 63 97.457 4.994 6.991
348 2HG LYS 63 HG1 LYS 63 98.172 5.468 5.448
349 1HD LYS 63 HD2 LYS 63 99.446 7.156 6.417
350 2HD LYS 63 HD1 LYS 63 98.419 7.241 7.849
351 1HE LYS 63 HE2 LYS 63 99.357 5.340 8.791
352 2HE LYS 63 HE1 LYS 63 99.958 4.747 7.243
353 1HZ LYS 63 HZ1 LYS 63 101.865 5.828 7.521
354 2HZ LYS 63 HZ2 LYS 63 101.402 6.097 9.126
355 3HZ LYS 63 HZ3 LYS 63 101.095 7.273 7.949
Start of MODEL 8
1 H ARG 16 HN ARG 16 96.723 -12.158 -5.770
2 HA ARG 16 HA ARG 16 96.787 -13.684 -3.385
3 1HB ARG 16 HB2 ARG 16 97.954 -11.019 -3.288
4 2HB ARG 16 HB1 ARG 16 96.615 -11.192 -2.164
5 1HG ARG 16 HG2 ARG 16 97.987 -13.489 -1.705
6 2HG ARG 16 HG1 ARG 16 99.294 -12.372 -2.101
7 1HD ARG 16 HD2 ARG 16 99.092 -11.301 -0.154
8 2HD ARG 16 HD1 ARG 16 97.344 -11.173 -0.322
9 HE ARG 16 HE ARG 16 97.097 -13.195 0.836
10 1HH1 ARG 16 1HH1 ARG 16 100.464 -12.308 0.506
11 2HH1 ARG 16 2HH1 ARG 16 100.994 -13.391 1.746
12 1HH2 ARG 16 1HH2 ARG 16 97.802 -14.618 2.460
13 2HH2 ARG 16 2HH2 ARG 16 99.488 -14.705 2.851
14 H GLU 17 HN GLU 17 94.813 -13.640 -2.275
15 HA GLU 17 HA GLU 17 92.640 -12.413 -3.798
16 1HB GLU 17 HB2 GLU 17 92.785 -14.659 -1.809
17 2HB GLU 17 HB1 GLU 17 91.246 -13.898 -2.188
18 1HG GLU 17 HG2 GLU 17 92.245 -14.395 -4.672
19 2HG GLU 17 HG1 GLU 17 92.862 -15.766 -3.749
20 H SER 18 HN SER 18 92.910 -10.267 -3.046
21 HA SER 18 HA SER 18 91.590 -9.790 -0.501
22 1HB SER 18 HB2 SER 18 94.075 -9.883 -0.039
23 2HB SER 18 HB1 SER 18 94.246 -8.464 -1.072
24 HG SER 18 HG SER 18 92.767 -8.677 1.337
25 H LYS 19 HN LYS 19 91.166 -7.396 -0.201
26 HA LYS 19 HA LYS 19 91.299 -5.705 -2.474
27 1HB LYS 19 HB2 LYS 19 88.903 -5.475 -2.890
28 2HB LYS 19 HB1 LYS 19 89.460 -7.108 -3.229
29 1HG LYS 19 HG2 LYS 19 88.026 -6.247 -0.725
30 2HG LYS 19 HG1 LYS 19 87.284 -7.060 -2.100
31 1HD LYS 19 HD2 LYS 19 89.261 -8.784 -1.622
32 2HD LYS 19 HD1 LYS 19 89.077 -8.128 0.006
33 1HE LYS 19 HE2 LYS 19 86.633 -8.949 -1.481
34 2HE LYS 19 HE1 LYS 19 87.674 -10.210 -0.820
35 1HZ LYS 19 HZ1 LYS 19 87.510 -8.929 1.345
36 2HZ LYS 19 HZ2 LYS 19 86.122 -9.756 0.846
37 3HZ LYS 19 HZ3 LYS 19 86.227 -8.081 0.638
38 H CYS 20 HN CYS 20 89.471 -3.844 -2.009
39 HA CYS 20 HA CYS 20 90.135 -2.849 0.670
40 1HB CYS 20 HB2 CYS 20 90.830 -1.533 -1.309
41 2HB CYS 20 HB1 CYS 20 89.143 -1.360 -1.764
42 HA PRO 21 HA PRO 21 85.503 -3.480 0.751
43 1HB PRO 21 HB2 PRO 21 85.288 -5.161 2.817
44 2HB PRO 21 HB1 PRO 21 85.701 -5.745 1.199
45 1HG PRO 21 HG2 PRO 21 87.507 -5.192 3.526
46 2HG PRO 21 HG1 PRO 21 87.498 -6.585 2.429
47 1HD PRO 21 HD2 PRO 21 89.209 -4.467 2.165
48 2HD PRO 21 HD1 PRO 21 88.662 -5.465 0.806
49 H THR 22 HN THR 22 85.961 -1.122 1.459
50 HA THR 22 HA THR 22 86.023 -0.778 4.348
51 HB THR 22 HB THR 22 85.768 1.229 2.118
52 HG1 THR 22 HG1 THR 22 87.825 1.025 1.932
53 1HG2 THR 22 1HG2 THR 22 86.298 2.944 3.640
54 2HG2 THR 22 2HG2 THR 22 86.607 1.787 4.932
55 3HG2 THR 22 3HG2 THR 22 84.964 2.030 4.343
56 HA PRO 23 HA PRO 23 81.718 -0.830 5.301
57 1HB PRO 23 HB2 PRO 23 82.244 2.000 6.146
58 2HB PRO 23 HB1 PRO 23 81.313 0.741 6.968
59 1HG PRO 23 HG2 PRO 23 83.827 1.322 7.698
60 2HG PRO 23 HG1 PRO 23 83.197 -0.333 7.755
61 1HD PRO 23 HD2 PRO 23 85.187 0.847 5.940
62 2HD PRO 23 HD1 PRO 23 84.882 -0.856 6.319
63 H GLY 24 HN GLY 24 83.099 1.849 3.454
64 1HA GLY 24 HA2 GLY 24 80.628 1.898 1.886
65 2HA GLY 24 HA1 GLY 24 81.194 3.404 2.578
66 H CYS 25 HN CYS 25 84.070 2.032 1.868
67 HA CYS 25 HA CYS 25 84.637 3.694 -0.246
68 1HB CYS 25 HB2 CYS 25 86.413 2.344 1.013
69 2HB CYS 25 HB1 CYS 25 85.955 0.979 -0.034
70 H ASP 26 HN ASP 26 84.874 3.426 -2.526
71 HA ASP 26 HA ASP 26 82.852 1.586 -3.600
72 1HB ASP 26 HB2 ASP 26 82.706 4.086 -4.010
73 2HB ASP 26 HB1 ASP 26 84.133 3.917 -5.026
74 H GLY 27 HN GLY 27 86.167 2.711 -4.167
75 1HA GLY 27 HA2 GLY 27 87.940 1.297 -4.850
76 2HA GLY 27 HA1 GLY 27 86.757 0.139 -5.412
77 H THR 28 HN THR 28 87.412 3.506 -6.034
78 HA THR 28 HA THR 28 88.046 3.039 -8.767
79 HB THR 28 HB THR 28 85.388 3.750 -7.949
80 HG1 THR 28 HG1 THR 28 86.102 2.273 -9.638
81 1HG2 THR 28 1HG2 THR 28 86.739 5.759 -9.725
82 2HG2 THR 28 2HG2 THR 28 85.876 6.055 -8.216
83 3HG2 THR 28 3HG2 THR 28 84.993 5.528 -9.649
84 H GLY 29 HN GLY 29 89.525 4.482 -9.437
85 1HA GLY 29 HA2 GLY 29 90.480 6.616 -9.673
86 2HA GLY 29 HA1 GLY 29 89.578 7.164 -8.270
87 H HIS 30 HN HIS 30 91.364 4.199 -8.118
88 HA HIS 30 HA HIS 30 92.815 3.664 -6.312
89 1HB HIS 30 HB2 HIS 30 93.672 3.861 -8.758
90 2HB HIS 30 HB1 HIS 30 94.702 5.100 -8.110
91 HD2 HIS 30 HD2 HIS 30 94.085 1.246 -7.747
92 HE1 HIS 30 HE1 HIS 30 98.041 2.174 -6.588
93 HE2 HIS 30 HE2 HIS 30 96.435 0.317 -7.191
94 H VAL 31 HN VAL 31 95.253 4.740 -5.663
95 HA VAL 31 HA VAL 31 94.555 6.620 -3.670
96 HB VAL 31 HB VAL 31 96.476 5.122 -3.414
97 1HG1 VAL 31 1HG1 VAL 31 98.631 5.861 -4.584
98 2HG1 VAL 31 2HG1 VAL 31 97.568 6.701 -5.713
99 3HG1 VAL 31 3HG1 VAL 31 97.448 4.952 -5.525
100 1HG2 VAL 31 1HG2 VAL 31 97.258 8.033 -3.342
101 2HG2 VAL 31 2HG2 VAL 31 98.048 6.726 -2.459
102 3HG2 VAL 31 3HG2 VAL 31 96.383 7.164 -2.080
103 H THR 32 HN THR 32 95.862 7.124 -6.930
104 HA THR 32 HA THR 32 95.808 10.016 -6.396
105 HB THR 32 HB THR 32 97.561 10.307 -7.969
106 HG1 THR 32 HG1 THR 32 98.328 8.320 -9.097
107 1HG2 THR 32 1HG2 THR 32 98.627 7.755 -6.978
108 2HG2 THR 32 2HG2 THR 32 98.085 8.898 -5.747
109 3HG2 THR 32 3HG2 THR 32 99.314 9.378 -6.918
110 H GLY 33 HN GLY 33 94.080 7.611 -7.823
111 1HA GLY 33 HA2 GLY 33 92.351 7.658 -9.333
112 2HA GLY 33 HA1 GLY 33 92.570 9.394 -9.402
113 H LEU 34 HN LEU 34 95.404 7.675 -9.903
114 HA LEU 34 HA LEU 34 95.275 8.257 -12.757
115 1HB LEU 34 HB2 LEU 34 97.703 7.615 -11.110
116 2HB LEU 34 HB1 LEU 34 97.670 8.226 -12.761
117 HG LEU 34 HG LEU 34 96.458 9.720 -10.485
118 1HD1 LEU 34 1HD1 LEU 34 99.003 10.783 -11.391
119 2HD1 LEU 34 2HD1 LEU 34 99.175 9.170 -10.697
120 3HD1 LEU 34 3HD1 LEU 34 98.439 10.463 -9.751
121 1HD2 LEU 34 1HD2 LEU 34 96.194 11.454 -11.930
122 2HD2 LEU 34 2HD2 LEU 34 96.108 10.122 -13.083
123 3HD2 LEU 34 3HD2 LEU 34 97.613 11.022 -12.885
124 H TYR 35 HN TYR 35 94.574 5.828 -10.788
125 HA TYR 35 HA TYR 35 95.698 3.785 -12.600
126 1HB TYR 35 HB2 TYR 35 94.720 3.335 -9.796
127 2HB TYR 35 HB1 TYR 35 95.559 2.179 -10.805
128 HD1 TYR 35 HD1 TYR 35 96.229 5.705 -9.809
129 HD2 TYR 35 HD2 TYR 35 97.651 1.717 -9.919
130 HE1 TYR 35 HE1 TYR 35 98.352 6.445 -8.821
131 HE2 TYR 35 HE2 TYR 35 99.785 2.438 -8.951
132 HH TYR 35 HH TYR 35 101.054 4.970 -8.968
133 HA PRO 36 HA PRO 36 91.525 2.816 -13.682
134 1HB PRO 36 HB2 PRO 36 91.568 0.138 -14.064
135 2HB PRO 36 HB1 PRO 36 92.362 1.260 -15.175
136 1HG PRO 36 HG2 PRO 36 93.548 -0.405 -12.992
137 2HG PRO 36 HG1 PRO 36 94.173 -0.079 -14.618
138 1HD PRO 36 HD2 PRO 36 95.053 1.210 -12.374
139 2HD PRO 36 HD1 PRO 36 95.089 1.931 -13.995
140 H HIS 37 HN HIS 37 91.859 3.188 -10.928
141 HA HIS 37 HA HIS 37 90.423 2.939 -9.143
142 1HB HIS 37 HB2 HIS 37 89.740 0.121 -9.928
143 2HB HIS 37 HB1 HIS 37 88.843 1.237 -8.911
144 HD2 HIS 37 HD2 HIS 37 88.761 3.692 -11.167
145 HE1 HIS 37 HE1 HIS 37 86.589 0.797 -13.356
146 HE2 HIS 37 HE2 HIS 37 87.282 3.232 -13.247
147 H HIS 38 HN HIS 38 90.314 1.030 -7.388
148 HA HIS 38 HA HIS 38 92.979 -0.172 -7.249
149 1HB HIS 38 HB2 HIS 38 93.192 0.432 -4.886
150 2HB HIS 38 HB1 HIS 38 93.080 1.858 -5.905
151 HD1 HIS 38 HD1 HIS 38 91.049 3.381 -5.574
152 HD2 HIS 38 HD2 HIS 38 91.021 -0.015 -3.201
153 HE1 HIS 38 HE1 HIS 38 89.204 3.727 -3.852
154 H ARG 39 HN ARG 39 89.811 -0.003 -5.688
155 HA ARG 39 HA ARG 39 88.676 -1.560 -4.449
156 1HB ARG 39 HB2 ARG 39 87.849 -3.351 -5.815
157 2HB ARG 39 HB1 ARG 39 88.020 -1.919 -6.817
158 1HG ARG 39 HG2 ARG 39 90.421 -3.501 -6.905
159 2HG ARG 39 HG1 ARG 39 89.013 -4.477 -7.314
160 1HD ARG 39 HD2 ARG 39 88.430 -3.086 -9.108
161 2HD ARG 39 HD1 ARG 39 89.466 -1.777 -8.542
162 HE ARG 39 HE ARG 39 91.188 -2.722 -9.693
163 1HH1 ARG 39 1HH1 ARG 39 88.758 -5.172 -9.161
164 2HH1 ARG 39 2HH1 ARG 39 89.569 -6.363 -10.121
165 1HH2 ARG 39 1HH2 ARG 39 92.253 -4.285 -10.959
166 2HH2 ARG 39 2HH2 ARG 39 91.554 -5.859 -11.143
167 H SER 40 HN SER 40 91.583 -1.632 -3.929
168 HA SER 40 HA SER 40 91.588 -4.145 -2.580
169 1HB SER 40 HB2 SER 40 93.247 -5.291 -3.646
170 2HB SER 40 HB1 SER 40 92.512 -4.454 -5.015
171 HG SER 40 HG SER 40 94.420 -3.647 -5.329
172 H LEU 41 HN LEU 41 92.279 -0.985 -2.446
173 HA LEU 41 HA LEU 41 93.232 0.200 -0.756
174 1HB LEU 41 HB2 LEU 41 94.777 -2.191 0.172
175 2HB LEU 41 HB1 LEU 41 94.234 -0.802 1.096
176 HG LEU 41 HG LEU 41 91.980 -2.255 -0.004
177 1HD1 LEU 41 1HD1 LEU 41 92.513 -4.098 1.884
178 2HD1 LEU 41 2HD1 LEU 41 94.137 -3.815 1.256
179 3HD1 LEU 41 3HD1 LEU 41 92.847 -4.329 0.168
180 1HD2 LEU 41 1HD2 LEU 41 92.828 -1.726 2.825
181 2HD2 LEU 41 2HD2 LEU 41 91.213 -2.166 2.275
182 3HD2 LEU 41 3HD2 LEU 41 91.908 -0.610 1.820
183 H SER 42 HN SER 42 95.073 -1.808 -2.897
184 HA SER 42 HA SER 42 97.659 -0.962 -2.500
185 1HB SER 42 HB2 SER 42 98.040 -1.388 -4.886
186 2HB SER 42 HB1 SER 42 97.003 -2.637 -4.198
187 HG SER 42 HG SER 42 95.265 -1.763 -5.209
188 H GLY 43 HN GLY 43 94.940 0.812 -3.707
189 1HA GLY 43 HA2 GLY 43 96.642 3.172 -4.067
190 2HA GLY 43 HA1 GLY 43 95.272 2.836 -5.098
191 H CYS 44 HN CYS 44 93.212 3.031 -4.326
192 HA CYS 44 HA CYS 44 91.542 4.154 -3.202
193 1HB CYS 44 HB2 CYS 44 92.411 2.325 -1.524
194 2HB CYS 44 HB1 CYS 44 93.011 3.714 -0.627
195 HA PRO 45 HA PRO 45 93.547 8.180 -2.500
196 1HB PRO 45 HB2 PRO 45 91.917 9.652 -3.945
197 2HB PRO 45 HB1 PRO 45 92.930 8.446 -4.748
198 1HG PRO 45 HG2 PRO 45 90.017 8.340 -4.086
199 2HG PRO 45 HG1 PRO 45 90.862 7.719 -5.513
200 1HD PRO 45 HD2 PRO 45 90.118 6.249 -3.205
201 2HD PRO 45 HD1 PRO 45 91.169 5.693 -4.521
202 H HIS 46 HN HIS 46 91.025 6.915 -0.950
203 HA HIS 46 HA HIS 46 89.683 9.351 -0.166
204 1HB HIS 46 HB2 HIS 46 89.299 6.609 1.011
205 2HB HIS 46 HB1 HIS 46 88.172 7.952 1.007
206 HD2 HIS 46 HD2 HIS 46 88.504 4.758 -0.677
207 HE1 HIS 46 HE1 HIS 46 86.692 7.253 -3.547
208 HE2 HIS 46 HE2 HIS 46 87.066 4.865 -2.822
209 H LYS 47 HN LYS 47 90.975 6.740 1.889
210 HA LYS 47 HA LYS 47 91.913 6.760 3.941
211 1HB LYS 47 HB2 LYS 47 93.912 8.135 4.203
212 2HB LYS 47 HB1 LYS 47 93.865 7.375 2.620
213 1HG LYS 47 HG2 LYS 47 93.199 9.456 1.599
214 2HG LYS 47 HG1 LYS 47 93.106 10.237 3.177
215 1HD LYS 47 HD2 LYS 47 95.669 8.930 2.599
216 2HD LYS 47 HD1 LYS 47 95.278 10.281 1.533
217 1HE LYS 47 HE2 LYS 47 95.512 11.807 3.174
218 2HE LYS 47 HE1 LYS 47 94.784 10.759 4.392
219 1HZ LYS 47 HZ1 LYS 47 97.098 9.503 3.930
220 2HZ LYS 47 HZ2 LYS 47 96.877 10.652 5.152
221 3HZ LYS 47 HZ3 LYS 47 97.569 11.109 3.678
222 H ASP 48 HN ASP 48 89.611 7.569 4.479
223 HA ASP 48 HA ASP 48 90.014 9.807 6.320
224 1HB ASP 48 HB2 ASP 48 88.869 10.540 4.092
225 2HB ASP 48 HB1 ASP 48 87.451 9.747 4.763
226 H ARG 49 HN ARG 49 89.406 6.736 6.051
227 HA ARG 49 HA ARG 49 88.408 5.151 7.322
228 1HB ARG 49 HB2 ARG 49 88.565 5.503 9.543
229 2HB ARG 49 HB1 ARG 49 89.321 7.008 9.053
230 1HG ARG 49 HG2 ARG 49 86.828 7.883 9.142
231 2HG ARG 49 HG1 ARG 49 86.644 6.520 10.244
232 1HD ARG 49 HD2 ARG 49 88.314 7.364 11.703
233 2HD ARG 49 HD1 ARG 49 88.819 8.580 10.531
234 HE ARG 49 HE ARG 49 86.252 9.240 10.981
235 1HH1 ARG 49 1HH1 ARG 49 88.909 8.559 13.144
236 2HH1 ARG 49 2HH1 ARG 49 88.323 9.606 14.393
237 1HH2 ARG 49 1HH2 ARG 49 85.484 10.620 12.624
238 2HH2 ARG 49 2HH2 ARG 49 86.380 10.776 14.098
239 H VAL 50 HN VAL 50 86.354 5.006 8.980
240 HA VAL 50 HA VAL 50 84.183 4.296 8.611
241 HB VAL 50 HB VAL 50 84.090 7.233 9.247
242 1HG1 VAL 50 1HG1 VAL 50 81.891 5.410 8.642
243 2HG1 VAL 50 2HG1 VAL 50 81.894 7.166 8.797
244 3HG1 VAL 50 3HG1 VAL 50 81.764 6.155 10.235
245 1HG2 VAL 50 1HG2 VAL 50 84.548 4.769 10.721
246 2HG2 VAL 50 2HG2 VAL 50 83.278 5.769 11.426
247 3HG2 VAL 50 3HG2 VAL 50 84.889 6.440 11.170
248 HA PRO 51 HA PRO 51 81.767 6.763 5.235
249 1HB PRO 51 HB2 PRO 51 83.373 8.686 3.965
250 2HB PRO 51 HB1 PRO 51 82.033 9.006 5.069
251 1HG PRO 51 HG2 PRO 51 84.962 8.944 5.607
252 2HG PRO 51 HG1 PRO 51 83.709 9.982 6.311
253 1HD PRO 51 HD2 PRO 51 84.749 7.944 7.688
254 2HD PRO 51 HD1 PRO 51 83.022 8.344 7.810
255 HA PRO 52 HA PRO 52 83.372 4.519 1.807
256 1HB PRO 52 HB2 PRO 52 83.093 6.861 -0.002
257 2HB PRO 52 HB1 PRO 52 82.409 5.240 -0.154
258 1HG PRO 52 HG2 PRO 52 80.876 7.302 0.548
259 2HG PRO 52 HG1 PRO 52 80.648 5.704 1.285
260 1HD PRO 52 HD2 PRO 52 81.972 8.140 2.407
261 2HD PRO 52 HD1 PRO 52 80.937 6.945 3.216
262 H GLU 53 HN GLU 53 85.516 4.757 2.943
263 HA GLU 53 HA GLU 53 87.356 6.146 1.211
264 1HB GLU 53 HB2 GLU 53 87.732 6.064 4.186
265 2HB GLU 53 HB1 GLU 53 88.604 7.047 3.016
266 1HG GLU 53 HG2 GLU 53 85.667 7.371 3.507
267 2HG GLU 53 HG1 GLU 53 86.869 8.165 4.501
268 H ILE 54 HN ILE 54 88.689 4.705 3.983
269 HA ILE 54 HA ILE 54 89.261 2.166 2.719
270 HB ILE 54 HB ILE 54 91.699 3.064 3.923
271 1HG1 ILE 54 2HG1 ILE 54 90.818 4.815 1.623
272 2HG1 ILE 54 1HG1 ILE 54 90.878 5.334 3.303
273 1HG2 ILE 54 1HG2 ILE 54 92.092 1.419 2.454
274 2HG2 ILE 54 2HG2 ILE 54 92.321 2.756 1.327
275 3HG2 ILE 54 3HG2 ILE 54 90.779 1.904 1.391
276 1HD1 ILE 54 1HD1 ILE 54 92.838 5.909 1.751
277 2HD1 ILE 54 2HD1 ILE 54 93.305 4.222 1.964
278 3HD1 ILE 54 3HD1 ILE 54 93.192 5.289 3.363
279 H LEU 55 HN LEU 55 87.876 3.481 5.125
280 HA LEU 55 HA LEU 55 89.052 3.104 7.522
281 1HB LEU 55 HB2 LEU 55 86.745 3.794 7.305
282 2HB LEU 55 HB1 LEU 55 86.286 2.201 6.759
283 HG LEU 55 HG LEU 55 85.750 2.853 9.184
284 1HD1 LEU 55 1HD1 LEU 55 85.505 0.668 9.570
285 2HD1 LEU 55 2HD1 LEU 55 87.224 0.337 9.355
286 3HD1 LEU 55 3HD1 LEU 55 86.166 0.454 7.949
287 1HD2 LEU 55 1HD2 LEU 55 87.377 3.055 10.731
288 2HD2 LEU 55 2HD2 LEU 55 88.359 3.516 9.341
289 3HD2 LEU 55 3HD2 LEU 55 88.416 1.863 9.954
290 H ALA 56 HN ALA 56 88.090 0.599 5.373
291 HA ALA 56 HA ALA 56 88.854 -1.451 7.269
292 1HB ALA 56 HB1 ALA 56 86.685 -1.616 6.023
293 2HB ALA 56 HB2 ALA 56 87.730 -3.033 5.918
294 3HB ALA 56 HB3 ALA 56 87.637 -1.904 4.566
295 H MET 57 HN MET 57 91.100 -0.303 6.732
296 HA MET 57 HA MET 57 92.313 -1.656 4.430
297 1HB MET 57 HB2 MET 57 92.542 0.947 5.201
298 2HB MET 57 HB1 MET 57 93.963 0.246 5.961
299 1HG MET 57 HG2 MET 57 94.632 -0.667 3.753
300 2HG MET 57 HG1 MET 57 93.266 0.174 3.031
301 1HE MET 57 HE1 MET 57 94.312 2.159 1.443
302 2HE MET 57 HE2 MET 57 95.385 0.761 1.514
303 3HE MET 57 HE3 MET 57 96.047 2.390 1.661
304 H HIS 58 HN HIS 58 94.686 -2.295 4.827
305 HA HIS 58 HA HIS 58 94.824 -3.725 7.398
306 1HB HIS 58 HB2 HIS 58 95.952 -4.583 4.725
307 2HB HIS 58 HB1 HIS 58 96.086 -5.480 6.234
308 HD2 HIS 58 HD2 HIS 58 93.359 -6.102 7.300
309 HE1 HIS 58 HE1 HIS 58 91.940 -6.532 3.336
310 HE2 HIS 58 HE2 HIS 58 91.384 -6.844 5.790
311 H GLU 59 HN GLU 59 96.402 -1.534 5.266
312 HA GLU 59 HA GLU 59 98.908 -1.779 6.780
313 1HB GLU 59 HB2 GLU 59 98.262 -1.081 3.998
314 2HB GLU 59 HB1 GLU 59 99.473 -0.047 4.743
315 1HG GLU 59 HG2 GLU 59 100.746 -1.708 3.782
316 2HG GLU 59 HG1 GLU 59 100.593 -2.260 5.450
317 H ASN 60 HN ASN 60 96.740 0.709 5.422
318 HA ASN 60 HA ASN 60 97.422 2.414 7.721
319 1HB ASN 60 HB2 ASN 60 97.242 3.270 4.826
320 2HB ASN 60 HB1 ASN 60 97.316 4.389 6.184
321 1HD2 ASN 60 1HD2 ASN 60 99.126 3.499 3.835
322 2HD2 ASN 60 2HD2 ASN 60 100.682 3.347 4.589
323 H VAL 61 HN VAL 61 95.394 1.506 8.538
324 HA VAL 61 HA VAL 61 92.916 2.020 7.238
325 HB VAL 61 HB VAL 61 91.887 1.469 9.419
326 1HG1 VAL 61 1HG1 VAL 61 93.730 -0.230 7.931
327 2HG1 VAL 61 2HG1 VAL 61 92.079 -0.542 8.466
328 3HG1 VAL 61 3HG1 VAL 61 93.427 -0.795 9.574
329 1HG2 VAL 61 1HG2 VAL 61 93.274 0.823 11.308
330 2HG2 VAL 61 2HG2 VAL 61 93.597 2.496 10.854
331 3HG2 VAL 61 3HG2 VAL 61 94.730 1.226 10.397
332 H LEU 62 HN LEU 62 91.336 3.581 7.712
333 HA LEU 62 HA LEU 62 90.505 5.601 8.315
334 1HB LEU 62 HB2 LEU 62 92.720 5.836 10.336
335 2HB LEU 62 HB1 LEU 62 91.155 6.626 10.361
336 HG LEU 62 HG LEU 62 90.883 3.731 10.362
337 1HD1 LEU 62 1HD1 LEU 62 92.039 3.091 12.204
338 2HD1 LEU 62 2HD1 LEU 62 91.985 4.696 12.935
339 3HD1 LEU 62 3HD1 LEU 62 93.135 4.353 11.643
340 1HD2 LEU 62 1HD2 LEU 62 89.485 5.949 11.230
341 2HD2 LEU 62 2HD2 LEU 62 90.010 5.172 12.722
342 3HD2 LEU 62 3HD2 LEU 62 89.071 4.263 11.536
343 H LYS 63 HN LYS 63 94.014 5.981 8.817
344 HA LYS 63 HA LYS 63 94.077 7.862 6.572
345 1HB LYS 63 HB2 LYS 63 93.809 9.107 8.751
346 2HB LYS 63 HB1 LYS 63 95.378 8.475 9.227
347 1HG LYS 63 HG2 LYS 63 96.263 9.539 7.083
348 2HG LYS 63 HG1 LYS 63 94.730 10.411 7.034
349 1HD LYS 63 HD2 LYS 63 96.084 10.472 9.636
350 2HD LYS 63 HD1 LYS 63 96.969 11.265 8.332
351 1HE LYS 63 HE2 LYS 63 94.073 11.847 8.555
352 2HE LYS 63 HE1 LYS 63 95.127 12.520 9.799
353 1HZ LYS 63 HZ1 LYS 63 95.974 12.842 7.026
354 2HZ LYS 63 HZ2 LYS 63 96.126 13.904 8.334
355 3HZ LYS 63 HZ3 LYS 63 94.645 13.762 7.530
Start of MODEL 9
1 H ARG 16 HN ARG 16 100.229 -10.753 -1.038
2 HA ARG 16 HA ARG 16 97.644 -12.110 -0.944
3 1HB ARG 16 HB2 ARG 16 100.093 -12.249 0.571
4 2HB ARG 16 HB1 ARG 16 98.738 -11.945 1.648
5 1HG ARG 16 HG2 ARG 16 98.379 -14.133 1.623
6 2HG ARG 16 HG1 ARG 16 97.804 -13.929 -0.032
7 1HD ARG 16 HD2 ARG 16 100.681 -14.046 0.034
8 2HD ARG 16 HD1 ARG 16 99.988 -15.448 0.845
9 HE ARG 16 HE ARG 16 98.793 -14.865 -1.707
10 1HH1 ARG 16 1HH1 ARG 16 101.380 -16.538 -0.066
11 2HH1 ARG 16 2HH1 ARG 16 101.604 -17.695 -1.333
12 1HH2 ARG 16 1HH2 ARG 16 99.085 -16.386 -3.374
13 2HH2 ARG 16 2HH2 ARG 16 100.303 -17.609 -3.212
14 H GLU 17 HN GLU 17 95.991 -10.699 -0.910
15 HA GLU 17 HA GLU 17 95.657 -9.007 1.379
16 1HB GLU 17 HB2 GLU 17 96.533 -7.870 -1.192
17 2HB GLU 17 HB1 GLU 17 95.132 -7.078 -0.483
18 1HG GLU 17 HG2 GLU 17 96.338 -6.118 1.130
19 2HG GLU 17 HG1 GLU 17 97.286 -7.577 1.422
20 H SER 18 HN SER 18 93.593 -7.446 0.706
21 HA SER 18 HA SER 18 91.633 -9.168 -0.646
22 1HB SER 18 HB2 SER 18 91.360 -7.925 2.094
23 2HB SER 18 HB1 SER 18 89.981 -8.512 1.166
24 HG SER 18 HG SER 18 90.870 -10.575 1.214
25 H LYS 19 HN LYS 19 89.451 -7.844 -0.788
26 HA LYS 19 HA LYS 19 90.097 -5.493 -2.261
27 1HB LYS 19 HB2 LYS 19 87.302 -6.394 -1.678
28 2HB LYS 19 HB1 LYS 19 87.916 -5.518 -3.073
29 1HG LYS 19 HG2 LYS 19 89.156 -8.129 -2.773
30 2HG LYS 19 HG1 LYS 19 87.401 -8.220 -2.940
31 1HD LYS 19 HD2 LYS 19 87.726 -6.592 -4.912
32 2HD LYS 19 HD1 LYS 19 89.423 -7.075 -4.838
33 1HE LYS 19 HE2 LYS 19 88.249 -9.492 -4.784
34 2HE LYS 19 HE1 LYS 19 87.042 -8.596 -5.705
35 1HZ LYS 19 HZ1 LYS 19 88.355 -9.115 -7.427
36 2HZ LYS 19 HZ2 LYS 19 89.711 -9.412 -6.461
37 3HZ LYS 19 HZ3 LYS 19 89.314 -7.826 -6.896
38 H CYS 20 HN CYS 20 89.884 -3.503 -1.706
39 HA CYS 20 HA CYS 20 89.467 -2.733 0.994
40 1HB CYS 20 HB2 CYS 20 91.071 -1.529 -0.329
41 2HB CYS 20 HB1 CYS 20 89.849 -1.123 -1.530
42 HA PRO 21 HA PRO 21 85.501 -0.682 -1.264
43 1HB PRO 21 HB2 PRO 21 84.711 -3.351 -2.341
44 2HB PRO 21 HB1 PRO 21 84.364 -1.737 -2.974
45 1HG PRO 21 HG2 PRO 21 86.258 -3.251 -4.069
46 2HG PRO 21 HG1 PRO 21 86.471 -1.499 -3.899
47 1HD PRO 21 HD2 PRO 21 87.720 -3.719 -2.369
48 2HD PRO 21 HD1 PRO 21 88.362 -2.109 -2.750
49 H THR 22 HN THR 22 85.396 -0.754 1.105
50 HA THR 22 HA THR 22 83.960 -3.023 2.233
51 HB THR 22 HB THR 22 85.859 -1.393 3.265
52 HG1 THR 22 HG1 THR 22 84.953 -3.391 4.108
53 1HG2 THR 22 1HG2 THR 22 83.334 -0.373 4.531
54 2HG2 THR 22 2HG2 THR 22 84.325 0.545 3.401
55 3HG2 THR 22 3HG2 THR 22 84.993 0.042 4.954
56 HA PRO 23 HA PRO 23 79.772 -1.603 2.521
57 1HB PRO 23 HB2 PRO 23 80.323 -0.344 5.187
58 2HB PRO 23 HB1 PRO 23 78.936 -1.314 4.671
59 1HG PRO 23 HG2 PRO 23 80.869 -2.417 6.120
60 2HG PRO 23 HG1 PRO 23 80.121 -3.312 4.784
61 1HD PRO 23 HD2 PRO 23 82.804 -2.060 4.954
62 2HD PRO 23 HD1 PRO 23 82.275 -3.468 4.014
63 H GLY 24 HN GLY 24 82.303 0.681 3.285
64 1HA GLY 24 HA2 GLY 24 80.591 2.903 2.426
65 2HA GLY 24 HA1 GLY 24 82.070 3.064 3.352
66 H CYS 25 HN CYS 25 84.110 2.182 2.097
67 HA CYS 25 HA CYS 25 84.586 3.823 -0.047
68 1HB CYS 25 HB2 CYS 25 86.417 2.519 1.131
69 2HB CYS 25 HB1 CYS 25 85.896 1.099 0.202
70 H ASP 26 HN ASP 26 84.817 3.467 -2.353
71 HA ASP 26 HA ASP 26 82.766 1.610 -3.347
72 1HB ASP 26 HB2 ASP 26 82.569 4.141 -3.718
73 2HB ASP 26 HB1 ASP 26 83.901 3.959 -4.854
74 H GLY 27 HN GLY 27 86.013 2.864 -3.992
75 1HA GLY 27 HA2 GLY 27 87.818 1.496 -4.695
76 2HA GLY 27 HA1 GLY 27 86.660 0.337 -5.303
77 H THR 28 HN THR 28 87.454 3.701 -5.810
78 HA THR 28 HA THR 28 87.947 3.269 -8.581
79 HB THR 28 HB THR 28 85.402 4.186 -7.640
80 HG1 THR 28 HG1 THR 28 84.851 3.427 -9.525
81 1HG2 THR 28 1HG2 THR 28 86.065 6.449 -7.835
82 2HG2 THR 28 2HG2 THR 28 85.112 6.057 -9.268
83 3HG2 THR 28 3HG2 THR 28 86.870 6.147 -9.375
84 H GLY 29 HN GLY 29 89.489 4.598 -9.321
85 1HA GLY 29 HA2 GLY 29 90.678 6.592 -9.566
86 2HA GLY 29 HA1 GLY 29 89.857 7.242 -8.157
87 H HIS 30 HN HIS 30 91.337 4.120 -7.957
88 HA HIS 30 HA HIS 30 92.798 3.444 -6.231
89 1HB HIS 30 HB2 HIS 30 93.668 3.739 -8.664
90 2HB HIS 30 HB1 HIS 30 94.758 4.878 -7.949
91 HD2 HIS 30 HD2 HIS 30 93.863 1.063 -7.649
92 HE1 HIS 30 HE1 HIS 30 97.955 1.652 -6.782
93 HE2 HIS 30 HE2 HIS 30 96.088 -0.050 -6.932
94 H VAL 31 HN VAL 31 95.333 4.546 -5.693
95 HA VAL 31 HA VAL 31 94.720 6.274 -3.546
96 HB VAL 31 HB VAL 31 96.679 4.825 -3.481
97 1HG1 VAL 31 1HG1 VAL 31 97.160 5.698 -6.031
98 2HG1 VAL 31 2HG1 VAL 31 98.284 4.775 -5.035
99 3HG1 VAL 31 3HG1 VAL 31 98.402 6.534 -5.098
100 1HG2 VAL 31 1HG2 VAL 31 97.364 7.753 -3.292
101 2HG2 VAL 31 2HG2 VAL 31 98.293 6.438 -2.573
102 3HG2 VAL 31 3HG2 VAL 31 96.650 6.761 -2.022
103 H THR 32 HN THR 32 95.887 7.026 -6.814
104 HA THR 32 HA THR 32 95.489 9.854 -6.115
105 HB THR 32 HB THR 32 97.830 9.658 -6.208
106 HG1 THR 32 HG1 THR 32 98.243 11.067 -7.753
107 1HG2 THR 32 1HG2 THR 32 97.956 7.417 -7.220
108 2HG2 THR 32 2HG2 THR 32 99.088 8.565 -7.937
109 3HG2 THR 32 3HG2 THR 32 97.605 8.136 -8.791
110 H GLY 33 HN GLY 33 93.870 7.721 -7.561
111 1HA GLY 33 HA2 GLY 33 92.431 7.657 -9.342
112 2HA GLY 33 HA1 GLY 33 92.695 9.384 -9.448
113 H LEU 34 HN LEU 34 95.508 7.509 -9.681
114 HA LEU 34 HA LEU 34 95.659 8.129 -12.529
115 1HB LEU 34 HB2 LEU 34 97.831 7.216 -10.661
116 2HB LEU 34 HB1 LEU 34 98.046 7.717 -12.333
117 HG LEU 34 HG LEU 34 96.838 9.505 -10.283
118 1HD1 LEU 34 1HD1 LEU 34 98.868 10.241 -9.536
119 2HD1 LEU 34 2HD1 LEU 34 99.674 9.889 -11.062
120 3HD1 LEU 34 3HD1 LEU 34 99.328 8.585 -9.928
121 1HD2 LEU 34 1HD2 LEU 34 96.389 10.340 -12.404
122 2HD2 LEU 34 2HD2 LEU 34 97.964 9.857 -13.033
123 3HD2 LEU 34 3HD2 LEU 34 97.840 11.219 -11.920
124 H TYR 35 HN TYR 35 94.569 5.727 -10.693
125 HA TYR 35 HA TYR 35 95.526 3.673 -12.592
126 1HB TYR 35 HB2 TYR 35 94.677 3.182 -9.752
127 2HB TYR 35 HB1 TYR 35 95.362 2.005 -10.852
128 HD1 TYR 35 HD1 TYR 35 96.359 5.445 -9.807
129 HD2 TYR 35 HD2 TYR 35 97.465 1.362 -10.105
130 HE1 TYR 35 HE1 TYR 35 98.592 5.999 -8.947
131 HE2 TYR 35 HE2 TYR 35 99.707 1.898 -9.262
132 HH TYR 35 HH TYR 35 100.462 4.893 -7.837
133 HA PRO 36 HA PRO 36 91.277 3.005 -13.562
134 1HB PRO 36 HB2 PRO 36 91.616 0.108 -13.688
135 2HB PRO 36 HB1 PRO 36 91.357 1.251 -15.006
136 1HG PRO 36 HG2 PRO 36 93.708 -0.050 -14.624
137 2HG PRO 36 HG1 PRO 36 93.605 1.564 -15.351
138 1HD PRO 36 HD2 PRO 36 94.340 0.787 -12.555
139 2HD PRO 36 HD1 PRO 36 95.047 2.038 -13.602
140 H HIS 37 HN HIS 37 91.763 3.237 -10.788
141 HA HIS 37 HA HIS 37 90.397 3.018 -8.955
142 1HB HIS 37 HB2 HIS 37 89.387 0.330 -9.796
143 2HB HIS 37 HB1 HIS 37 88.639 1.525 -8.758
144 HD2 HIS 37 HD2 HIS 37 88.844 3.969 -11.051
145 HE1 HIS 37 HE1 HIS 37 86.203 1.384 -13.106
146 HE2 HIS 37 HE2 HIS 37 86.977 3.783 -12.841
147 H HIS 38 HN HIS 38 90.185 1.139 -7.256
148 HA HIS 38 HA HIS 38 92.718 -0.362 -7.288
149 1HB HIS 38 HB2 HIS 38 92.920 0.007 -4.841
150 2HB HIS 38 HB1 HIS 38 93.047 1.491 -5.770
151 HD1 HIS 38 HD1 HIS 38 91.026 3.187 -5.556
152 HD2 HIS 38 HD2 HIS 38 90.955 -0.080 -3.000
153 HE1 HIS 38 HE1 HIS 38 89.227 3.683 -3.809
154 H ARG 39 HN ARG 39 89.571 -0.095 -5.668
155 HA ARG 39 HA ARG 39 88.209 -1.691 -4.767
156 1HB ARG 39 HB2 ARG 39 88.046 -1.894 -7.319
157 2HB ARG 39 HB1 ARG 39 89.013 -3.351 -7.142
158 1HG ARG 39 HG2 ARG 39 87.241 -4.162 -5.525
159 2HG ARG 39 HG1 ARG 39 86.254 -2.814 -6.091
160 1HD ARG 39 HD2 ARG 39 86.296 -3.651 -8.339
161 2HD ARG 39 HD1 ARG 39 87.461 -4.901 -7.901
162 HE ARG 39 HE ARG 39 85.055 -5.092 -6.379
163 1HH1 ARG 39 1HH1 ARG 39 86.489 -5.862 -9.465
164 2HH1 ARG 39 2HH1 ARG 39 85.428 -7.194 -9.766
165 1HH2 ARG 39 1HH2 ARG 39 83.656 -6.847 -6.774
166 2HH2 ARG 39 2HH2 ARG 39 83.819 -7.754 -8.241
167 H SER 40 HN SER 40 91.234 -1.975 -4.198
168 HA SER 40 HA SER 40 90.973 -4.367 -2.685
169 1HB SER 40 HB2 SER 40 93.314 -4.912 -4.232
170 2HB SER 40 HB1 SER 40 91.869 -5.901 -4.018
171 HG SER 40 HG SER 40 92.622 -4.816 -6.219
172 H LEU 41 HN LEU 41 91.836 -1.455 -2.471
173 HA LEU 41 HA LEU 41 93.186 -0.379 -0.992
174 1HB LEU 41 HB2 LEU 41 94.803 -2.866 -0.539
175 2HB LEU 41 HB1 LEU 41 94.515 -1.528 0.556
176 HG LEU 41 HG LEU 41 92.135 -3.105 -0.235
177 1HD1 LEU 41 1HD1 LEU 41 93.937 -4.212 1.881
178 2HD1 LEU 41 2HD1 LEU 41 94.093 -4.722 0.200
179 3HD1 LEU 41 3HD1 LEU 41 92.574 -4.977 1.063
180 1HD2 LEU 41 1HD2 LEU 41 91.272 -2.210 1.614
181 2HD2 LEU 41 2HD2 LEU 41 92.674 -1.143 1.596
182 3HD2 LEU 41 3HD2 LEU 41 92.692 -2.606 2.580
183 H SER 42 HN SER 42 96.001 -0.710 -0.633
184 HA SER 42 HA SER 42 97.993 -0.286 -1.676
185 1HB SER 42 HB2 SER 42 96.749 -1.012 -4.329
186 2HB SER 42 HB1 SER 42 98.439 -1.133 -3.841
187 HG SER 42 HG SER 42 97.912 -2.858 -2.526
188 H GLY 43 HN GLY 43 95.233 0.633 -3.741
189 1HA GLY 43 HA2 GLY 43 96.474 3.216 -4.233
190 2HA GLY 43 HA1 GLY 43 95.103 2.545 -5.085
191 H CYS 44 HN CYS 44 93.082 2.670 -4.239
192 HA CYS 44 HA CYS 44 91.356 3.743 -3.154
193 1HB CYS 44 HB2 CYS 44 92.458 2.260 -1.335
194 2HB CYS 44 HB1 CYS 44 93.033 3.787 -0.674
195 HA PRO 45 HA PRO 45 92.897 8.016 -3.266
196 1HB PRO 45 HB2 PRO 45 90.819 9.101 -4.547
197 2HB PRO 45 HB1 PRO 45 91.991 8.090 -5.390
198 1HG PRO 45 HG2 PRO 45 89.226 7.456 -4.505
199 2HG PRO 45 HG1 PRO 45 90.115 6.866 -5.915
200 1HD PRO 45 HD2 PRO 45 89.741 5.514 -3.467
201 2HD PRO 45 HD1 PRO 45 90.847 5.049 -4.773
202 H HIS 46 HN HIS 46 91.187 6.854 -0.964
203 HA HIS 46 HA HIS 46 89.772 9.352 -0.326
204 1HB HIS 46 HB2 HIS 46 89.267 6.717 1.013
205 2HB HIS 46 HB1 HIS 46 88.217 8.125 0.897
206 HD2 HIS 46 HD2 HIS 46 88.542 4.787 -0.651
207 HE1 HIS 46 HE1 HIS 46 86.647 7.174 -3.565
208 HE2 HIS 46 HE2 HIS 46 87.372 4.829 -2.958
209 H LYS 47 HN LYS 47 91.017 6.740 1.816
210 HA LYS 47 HA LYS 47 92.171 6.832 3.739
211 1HB LYS 47 HB2 LYS 47 94.281 7.902 3.704
212 2HB LYS 47 HB1 LYS 47 93.964 7.388 2.058
213 1HG LYS 47 HG2 LYS 47 93.182 9.775 1.636
214 2HG LYS 47 HG1 LYS 47 93.927 10.166 3.183
215 1HD LYS 47 HD2 LYS 47 95.883 10.352 2.149
216 2HD LYS 47 HD1 LYS 47 95.803 8.634 1.750
217 1HE LYS 47 HE2 LYS 47 94.899 9.041 -0.359
218 2HE LYS 47 HE1 LYS 47 94.372 10.665 0.077
219 1HZ LYS 47 HZ1 LYS 47 97.187 9.795 -0.297
220 2HZ LYS 47 HZ2 LYS 47 96.694 11.351 0.148
221 3HZ LYS 47 HZ3 LYS 47 96.288 10.740 -1.375
222 H ASP 48 HN ASP 48 90.070 7.634 4.562
223 HA ASP 48 HA ASP 48 90.596 10.188 5.930
224 1HB ASP 48 HB2 ASP 48 88.824 10.213 3.964
225 2HB ASP 48 HB1 ASP 48 87.778 9.545 5.209
226 H ARG 49 HN ARG 49 90.469 7.064 6.364
227 HA ARG 49 HA ARG 49 89.873 5.645 8.006
228 1HB ARG 49 HB2 ARG 49 90.096 6.445 10.314
229 2HB ARG 49 HB1 ARG 49 91.421 6.973 9.293
230 1HG ARG 49 HG2 ARG 49 89.320 8.948 9.369
231 2HG ARG 49 HG1 ARG 49 89.849 8.519 10.987
232 1HD ARG 49 HD2 ARG 49 91.062 10.424 9.668
233 2HD ARG 49 HD1 ARG 49 91.978 9.292 10.659
234 HE ARG 49 HE ARG 49 91.676 8.787 7.785
235 1HH1 ARG 49 1HH1 ARG 49 93.740 9.552 10.500
236 2HH1 ARG 49 2HH1 ARG 49 95.200 9.215 9.635
237 1HH2 ARG 49 1HH2 ARG 49 93.595 8.349 6.658
238 2HH2 ARG 49 2HH2 ARG 49 95.120 8.535 7.458
239 H VAL 50 HN VAL 50 87.747 6.141 6.641
240 HA VAL 50 HA VAL 50 85.628 5.846 8.587
241 HB VAL 50 HB VAL 50 84.584 7.477 6.425
242 1HG1 VAL 50 1HG1 VAL 50 84.211 8.811 8.827
243 2HG1 VAL 50 2HG1 VAL 50 84.288 7.109 9.280
244 3HG1 VAL 50 3HG1 VAL 50 83.112 7.650 8.082
245 1HG2 VAL 50 1HG2 VAL 50 86.834 8.504 6.503
246 2HG2 VAL 50 2HG2 VAL 50 86.577 8.869 8.210
247 3HG2 VAL 50 3HG2 VAL 50 85.550 9.611 6.984
248 HA PRO 51 HA PRO 51 84.282 2.528 6.067
249 1HB PRO 51 HB2 PRO 51 81.746 4.044 5.603
250 2HB PRO 51 HB1 PRO 51 81.983 2.354 6.037
251 1HG PRO 51 HG2 PRO 51 81.296 4.210 7.864
252 2HG PRO 51 HG1 PRO 51 82.323 2.822 8.260
253 1HD PRO 51 HD2 PRO 51 83.029 5.670 8.029
254 2HD PRO 51 HD1 PRO 51 83.882 4.365 8.869
255 HA PRO 52 HA PRO 52 83.408 4.687 1.855
256 1HB PRO 52 HB2 PRO 52 83.052 7.343 1.735
257 2HB PRO 52 HB1 PRO 52 81.728 6.238 2.127
258 1HG PRO 52 HG2 PRO 52 83.451 7.854 3.978
259 2HG PRO 52 HG1 PRO 52 81.686 7.673 3.975
260 1HD PRO 52 HD2 PRO 52 83.275 6.260 5.642
261 2HD PRO 52 HD1 PRO 52 81.769 5.602 4.978
262 H GLU 53 HN GLU 53 85.924 4.220 2.783
263 HA GLU 53 HA GLU 53 87.478 5.932 1.174
264 1HB GLU 53 HB2 GLU 53 87.772 6.078 4.161
265 2HB GLU 53 HB1 GLU 53 89.068 6.545 3.070
266 1HG GLU 53 HG2 GLU 53 88.165 8.577 3.261
267 2HG GLU 53 HG1 GLU 53 87.029 7.992 2.059
268 H ILE 54 HN ILE 54 89.128 4.651 3.838
269 HA ILE 54 HA ILE 54 89.791 2.160 2.418
270 HB ILE 54 HB ILE 54 92.054 3.119 3.959
271 1HG1 ILE 54 2HG1 ILE 54 91.149 4.848 1.655
272 2HG1 ILE 54 1HG1 ILE 54 91.339 5.338 3.330
273 1HG2 ILE 54 1HG2 ILE 54 93.007 1.736 2.525
274 2HG2 ILE 54 2HG2 ILE 54 92.674 2.865 1.212
275 3HG2 ILE 54 3HG2 ILE 54 91.505 1.613 1.616
276 1HD1 ILE 54 1HD1 ILE 54 93.555 5.611 3.129
277 2HD1 ILE 54 2HD1 ILE 54 93.182 5.734 1.409
278 3HD1 ILE 54 3HD1 ILE 54 93.743 4.204 2.084
279 H LEU 55 HN LEU 55 88.432 3.461 5.012
280 HA LEU 55 HA LEU 55 89.477 2.583 7.315
281 1HB LEU 55 HB2 LEU 55 87.336 3.661 7.287
282 2HB LEU 55 HB1 LEU 55 86.613 2.299 6.451
283 HG LEU 55 HG LEU 55 87.820 1.550 9.008
284 1HD1 LEU 55 1HD1 LEU 55 86.828 3.983 9.246
285 2HD1 LEU 55 2HD1 LEU 55 86.575 2.757 10.488
286 3HD1 LEU 55 3HD1 LEU 55 85.304 3.100 9.314
287 1HD2 LEU 55 1HD2 LEU 55 86.443 -0.014 7.905
288 2HD2 LEU 55 2HD2 LEU 55 85.164 1.174 7.652
289 3HD2 LEU 55 3HD2 LEU 55 85.500 0.574 9.276
290 H ALA 56 HN ALA 56 88.228 0.527 4.851
291 HA ALA 56 HA ALA 56 88.034 -1.857 6.305
292 1HB ALA 56 HB1 ALA 56 87.093 -2.449 4.387
293 2HB ALA 56 HB2 ALA 56 88.704 -2.551 3.675
294 3HB ALA 56 HB3 ALA 56 87.785 -1.049 3.569
295 H MET 57 HN MET 57 90.671 -0.422 4.454
296 HA MET 57 HA MET 57 92.483 -2.550 4.582
297 1HB MET 57 HB2 MET 57 92.547 -0.230 3.325
298 2HB MET 57 HB1 MET 57 93.461 0.270 4.735
299 1HG MET 57 HG2 MET 57 94.459 -2.230 3.730
300 2HG MET 57 HG1 MET 57 94.410 -1.021 2.451
301 1HE MET 57 HE1 MET 57 97.493 0.833 2.867
302 2HE MET 57 HE2 MET 57 95.865 1.503 2.776
303 3HE MET 57 HE3 MET 57 96.274 0.054 1.858
304 H HIS 58 HN HIS 58 94.672 -2.284 5.834
305 HA HIS 58 HA HIS 58 94.133 -1.447 8.600
306 1HB HIS 58 HB2 HIS 58 94.835 -4.156 7.607
307 2HB HIS 58 HB1 HIS 58 95.625 -3.625 9.087
308 HD2 HIS 58 HD2 HIS 58 92.743 -1.993 10.030
309 HE1 HIS 58 HE1 HIS 58 91.468 -6.014 10.352
310 HE2 HIS 58 HE2 HIS 58 90.885 -3.600 10.860
311 H GLU 59 HN GLU 59 96.412 -2.048 9.836
312 HA GLU 59 HA GLU 59 98.601 -1.548 10.153
313 1HB GLU 59 HB2 GLU 59 98.529 -1.536 7.166
314 2HB GLU 59 HB1 GLU 59 99.922 -0.842 7.980
315 1HG GLU 59 HG2 GLU 59 98.897 -3.629 8.455
316 2HG GLU 59 HG1 GLU 59 100.195 -3.218 7.332
317 H ASN 60 HN ASN 60 98.304 0.677 7.418
318 HA ASN 60 HA ASN 60 98.294 2.901 9.355
319 1HB ASN 60 HB2 ASN 60 100.359 2.315 7.698
320 2HB ASN 60 HB1 ASN 60 99.432 3.405 6.672
321 1HD2 ASN 60 1HD2 ASN 60 100.285 5.343 6.748
322 2HD2 ASN 60 2HD2 ASN 60 100.839 6.162 8.175
323 H VAL 61 HN VAL 61 95.896 2.392 8.959
324 HA VAL 61 HA VAL 61 94.875 4.421 7.174
325 HB VAL 61 HB VAL 61 93.315 2.918 6.001
326 1HG1 VAL 61 1HG1 VAL 61 95.580 3.561 5.075
327 2HG1 VAL 61 2HG1 VAL 61 94.832 2.125 4.373
328 3HG1 VAL 61 3HG1 VAL 61 96.129 1.954 5.556
329 1HG2 VAL 61 1HG2 VAL 61 92.955 0.868 6.765
330 2HG2 VAL 61 2HG2 VAL 61 94.267 1.044 7.930
331 3HG2 VAL 61 3HG2 VAL 61 94.601 0.419 6.316
332 H LEU 62 HN LEU 62 92.225 3.935 7.197
333 HA LEU 62 HA LEU 62 90.452 4.396 8.543
334 1HB LEU 62 HB2 LEU 62 89.633 2.499 9.569
335 2HB LEU 62 HB1 LEU 62 90.805 1.830 8.452
336 HG LEU 62 HG LEU 62 92.198 2.265 10.869
337 1HD1 LEU 62 1HD1 LEU 62 90.482 2.296 12.350
338 2HD1 LEU 62 2HD1 LEU 62 90.629 0.548 12.164
339 3HD1 LEU 62 3HD1 LEU 62 89.388 1.428 11.272
340 1HD2 LEU 62 1HD2 LEU 62 92.962 0.444 9.779
341 2HD2 LEU 62 2HD2 LEU 62 91.370 0.017 9.153
342 3HD2 LEU 62 3HD2 LEU 62 91.805 -0.397 10.811
343 H LYS 63 HN LYS 63 89.895 3.864 11.216
344 HA LYS 63 HA LYS 63 91.116 6.087 12.483
345 1HB LYS 63 HB2 LYS 63 88.827 4.593 12.886
346 2HB LYS 63 HB1 LYS 63 89.813 4.182 14.281
347 1HG LYS 63 HG2 LYS 63 89.569 7.048 13.573
348 2HG LYS 63 HG1 LYS 63 88.159 6.249 14.270
349 1HD LYS 63 HD2 LYS 63 90.912 6.178 15.498
350 2HD LYS 63 HD1 LYS 63 89.667 7.351 15.937
351 1HE LYS 63 HE2 LYS 63 88.171 5.417 16.488
352 2HE LYS 63 HE1 LYS 63 89.558 4.355 16.249
353 1HZ LYS 63 HZ1 LYS 63 90.507 6.234 17.952
354 2HZ LYS 63 HZ2 LYS 63 89.943 4.705 18.401
355 3HZ LYS 63 HZ3 LYS 63 88.912 6.043 18.480
Start of MODEL 10
1 H ARG 16 HN ARG 16 95.297 -10.525 -4.097
2 HA ARG 16 HA ARG 16 93.591 -10.547 -6.499
3 1HB ARG 16 HB2 ARG 16 94.653 -12.739 -4.760
4 2HB ARG 16 HB1 ARG 16 93.141 -12.978 -5.627
5 1HG ARG 16 HG2 ARG 16 94.423 -12.305 -7.720
6 2HG ARG 16 HG1 ARG 16 95.884 -12.513 -6.750
7 1HD ARG 16 HD2 ARG 16 95.733 -14.753 -6.791
8 2HD ARG 16 HD1 ARG 16 93.989 -14.734 -6.550
9 HE ARG 16 HE ARG 16 93.705 -14.485 -8.903
10 1HH1 ARG 16 1HH1 ARG 16 97.012 -15.105 -7.942
11 2HH1 ARG 16 2HH1 ARG 16 97.488 -15.656 -9.511
12 1HH2 ARG 16 1HH2 ARG 16 94.343 -15.210 -10.958
13 2HH2 ARG 16 2HH2 ARG 16 95.979 -15.713 -11.221
14 H GLU 17 HN GLU 17 91.361 -11.045 -6.240
15 HA GLU 17 HA GLU 17 89.304 -10.777 -5.312
16 1HB GLU 17 HB2 GLU 17 90.556 -11.497 -2.669
17 2HB GLU 17 HB1 GLU 17 88.898 -11.761 -3.190
18 1HG GLU 17 HG2 GLU 17 89.393 -13.723 -4.098
19 2HG GLU 17 HG1 GLU 17 90.796 -13.067 -4.941
20 H SER 18 HN SER 18 87.999 -9.459 -3.867
21 HA SER 18 HA SER 18 88.975 -6.821 -3.671
22 1HB SER 18 HB2 SER 18 86.656 -7.420 -1.977
23 2HB SER 18 HB1 SER 18 86.810 -6.289 -3.320
24 HG SER 18 HG SER 18 85.826 -7.696 -4.508
25 H LYS 19 HN LYS 19 90.123 -5.853 -2.126
26 HA LYS 19 HA LYS 19 90.316 -7.155 0.493
27 1HB LYS 19 HB2 LYS 19 92.326 -6.160 -1.321
28 2HB LYS 19 HB1 LYS 19 92.466 -5.389 0.253
29 1HG LYS 19 HG2 LYS 19 92.538 -8.337 -0.347
30 2HG LYS 19 HG1 LYS 19 93.874 -7.322 0.198
31 1HD LYS 19 HD2 LYS 19 92.162 -6.840 2.181
32 2HD LYS 19 HD1 LYS 19 91.590 -8.444 1.717
33 1HE LYS 19 HE2 LYS 19 94.500 -7.880 2.205
34 2HE LYS 19 HE1 LYS 19 93.404 -8.296 3.523
35 1HZ LYS 19 HZ1 LYS 19 94.727 -10.145 2.320
36 2HZ LYS 19 HZ2 LYS 19 93.527 -10.010 1.134
37 3HZ LYS 19 HZ3 LYS 19 93.105 -10.414 2.721
38 H CYS 20 HN CYS 20 91.226 -3.966 -0.584
39 HA CYS 20 HA CYS 20 90.465 -2.599 1.706
40 1HB CYS 20 HB2 CYS 20 91.928 -1.630 -0.025
41 2HB CYS 20 HB1 CYS 20 90.540 -1.487 -1.102
42 HA PRO 21 HA PRO 21 86.340 -1.579 -0.991
43 1HB PRO 21 HB2 PRO 21 86.010 -4.515 -1.461
44 2HB PRO 21 HB1 PRO 21 85.391 -3.155 -2.408
45 1HG PRO 21 HG2 PRO 21 87.548 -4.480 -3.213
46 2HG PRO 21 HG1 PRO 21 87.455 -2.717 -3.374
47 1HD PRO 21 HD2 PRO 21 89.035 -4.364 -1.485
48 2HD PRO 21 HD1 PRO 21 89.382 -2.753 -2.136
49 H THR 22 HN THR 22 86.295 -1.216 1.383
50 HA THR 22 HA THR 22 85.121 -3.279 3.019
51 HB THR 22 HB THR 22 84.946 -0.944 4.446
52 HG1 THR 22 HG1 THR 22 85.928 0.423 3.131
53 1HG2 THR 22 1HG2 THR 22 87.626 -1.776 4.684
54 2HG2 THR 22 2HG2 THR 22 86.638 -3.214 4.429
55 3HG2 THR 22 3HG2 THR 22 86.272 -2.116 5.760
56 HA PRO 23 HA PRO 23 80.784 -2.363 2.976
57 1HB PRO 23 HB2 PRO 23 81.038 -0.739 5.475
58 2HB PRO 23 HB1 PRO 23 79.881 -2.017 5.079
59 1HG PRO 23 HG2 PRO 23 81.936 -2.510 6.696
60 2HG PRO 23 HG1 PRO 23 81.406 -3.713 5.506
61 1HD PRO 23 HD2 PRO 23 83.794 -1.940 5.473
62 2HD PRO 23 HD1 PRO 23 83.593 -3.575 4.813
63 H GLY 24 HN GLY 24 83.041 0.234 3.515
64 1HA GLY 24 HA2 GLY 24 81.131 2.191 2.453
65 2HA GLY 24 HA1 GLY 24 82.613 2.572 3.315
66 H CYS 25 HN CYS 25 84.685 1.806 2.134
67 HA CYS 25 HA CYS 25 85.052 3.208 -0.150
68 1HB CYS 25 HB2 CYS 25 86.916 2.096 1.124
69 2HB CYS 25 HB1 CYS 25 86.467 0.577 0.326
70 H ASP 26 HN ASP 26 85.192 2.795 -2.381
71 HA ASP 26 HA ASP 26 83.261 0.779 -3.284
72 1HB ASP 26 HB2 ASP 26 82.962 3.232 -3.859
73 2HB ASP 26 HB1 ASP 26 84.386 3.085 -4.879
74 H GLY 27 HN GLY 27 86.470 2.096 -4.069
75 1HA GLY 27 HA2 GLY 27 88.319 0.677 -4.589
76 2HA GLY 27 HA1 GLY 27 87.186 -0.531 -5.137
77 H THR 28 HN THR 28 87.693 2.839 -5.900
78 HA THR 28 HA THR 28 88.522 2.268 -8.556
79 HB THR 28 HB THR 28 85.772 2.714 -7.965
80 HG1 THR 28 HG1 THR 28 85.798 1.524 -9.670
81 1HG2 THR 28 1HG2 THR 28 86.947 4.828 -9.750
82 2HG2 THR 28 2HG2 THR 28 86.083 5.080 -8.232
83 3HG2 THR 28 3HG2 THR 28 85.233 4.432 -9.635
84 H GLY 29 HN GLY 29 89.988 3.751 -9.140
85 1HA GLY 29 HA2 GLY 29 90.535 6.077 -9.534
86 2HA GLY 29 HA1 GLY 29 89.789 6.471 -7.993
87 H HIS 30 HN HIS 30 91.363 3.797 -7.199
88 HA HIS 30 HA HIS 30 93.235 3.441 -5.914
89 1HB HIS 30 HB2 HIS 30 93.846 3.687 -8.453
90 2HB HIS 30 HB1 HIS 30 94.775 5.032 -7.888
91 HD2 HIS 30 HD2 HIS 30 94.604 1.143 -7.310
92 HE1 HIS 30 HE1 HIS 30 98.554 2.548 -6.750
93 HE2 HIS 30 HE2 HIS 30 97.038 0.516 -6.670
94 H VAL 31 HN VAL 31 95.427 4.671 -5.315
95 HA VAL 31 HA VAL 31 94.856 6.538 -3.369
96 HB VAL 31 HB VAL 31 96.938 5.267 -3.470
97 1HG1 VAL 31 1HG1 VAL 31 98.424 7.129 -5.119
98 2HG1 VAL 31 2HG1 VAL 31 97.164 6.294 -6.031
99 3HG1 VAL 31 3HG1 VAL 31 98.384 5.365 -5.158
100 1HG2 VAL 31 1HG2 VAL 31 97.513 8.220 -3.341
101 2HG2 VAL 31 2HG2 VAL 31 98.336 6.921 -2.477
102 3HG2 VAL 31 3HG2 VAL 31 96.669 7.331 -2.074
103 H THR 32 HN THR 32 95.535 7.361 -6.796
104 HA THR 32 HA THR 32 95.318 10.173 -5.946
105 HB THR 32 HB THR 32 96.725 10.808 -7.732
106 HG1 THR 32 HG1 THR 32 97.422 9.173 -9.273
107 1HG2 THR 32 1HG2 THR 32 97.921 8.195 -6.858
108 2HG2 THR 32 2HG2 THR 32 97.936 9.661 -5.877
109 3HG2 THR 32 3HG2 THR 32 98.764 9.633 -7.433
110 H GLY 33 HN GLY 33 93.440 7.841 -7.224
111 1HA GLY 33 HA2 GLY 33 91.429 7.996 -8.357
112 2HA GLY 33 HA1 GLY 33 91.682 9.726 -8.398
113 H LEU 34 HN LEU 34 94.305 7.892 -9.502
114 HA LEU 34 HA LEU 34 93.521 8.438 -12.278
115 1HB LEU 34 HB2 LEU 34 96.356 8.547 -11.359
116 2HB LEU 34 HB1 LEU 34 95.647 9.203 -12.828
117 HG LEU 34 HG LEU 34 94.743 10.178 -10.188
118 1HD1 LEU 34 1HD1 LEU 34 96.763 11.900 -11.309
119 2HD1 LEU 34 2HD1 LEU 34 97.425 10.303 -10.959
120 3HD1 LEU 34 3HD1 LEU 34 96.641 11.231 -9.681
121 1HD2 LEU 34 1HD2 LEU 34 93.920 10.724 -12.699
122 2HD2 LEU 34 2HD2 LEU 34 95.117 11.999 -12.464
123 3HD2 LEU 34 3HD2 LEU 34 93.763 11.841 -11.343
124 H TYR 35 HN TYR 35 93.879 5.897 -10.312
125 HA TYR 35 HA TYR 35 95.438 4.383 -12.324
126 1HB TYR 35 HB2 TYR 35 94.747 3.547 -9.524
127 2HB TYR 35 HB1 TYR 35 95.721 2.631 -10.642
128 HD1 TYR 35 HD1 TYR 35 95.704 6.140 -9.405
129 HD2 TYR 35 HD2 TYR 35 97.959 2.609 -10.064
130 HE1 TYR 35 HE1 TYR 35 97.705 7.262 -8.522
131 HE2 TYR 35 HE2 TYR 35 99.971 3.720 -9.203
132 HH TYR 35 HH TYR 35 100.042 6.221 -7.363
133 HA PRO 36 HA PRO 36 91.816 2.150 -13.460
134 1HB PRO 36 HB2 PRO 36 92.583 -0.443 -13.624
135 2HB PRO 36 HB1 PRO 36 93.099 0.774 -14.796
136 1HG PRO 36 HG2 PRO 36 94.583 -0.358 -12.462
137 2HG PRO 36 HG1 PRO 36 95.175 0.020 -14.089
138 1HD PRO 36 HD2 PRO 36 95.576 1.635 -11.935
139 2HD PRO 36 HD1 PRO 36 95.475 2.241 -13.597
140 H HIS 37 HN HIS 37 92.178 2.656 -10.610
141 HA HIS 37 HA HIS 37 90.836 2.226 -8.814
142 1HB HIS 37 HB2 HIS 37 90.368 -0.620 -9.593
143 2HB HIS 37 HB1 HIS 37 89.366 0.449 -8.632
144 HD2 HIS 37 HD2 HIS 37 89.114 2.838 -10.925
145 HE1 HIS 37 HE1 HIS 37 87.297 -0.278 -13.136
146 HE2 HIS 37 HE2 HIS 37 87.749 2.215 -13.041
147 H HIS 38 HN HIS 38 90.894 0.402 -7.063
148 HA HIS 38 HA HIS 38 93.636 -0.644 -6.949
149 1HB HIS 38 HB2 HIS 38 93.732 -0.067 -4.536
150 2HB HIS 38 HB1 HIS 38 93.649 1.345 -5.580
151 HD1 HIS 38 HD1 HIS 38 91.387 2.717 -5.520
152 HD2 HIS 38 HD2 HIS 38 91.754 -0.314 -2.713
153 HE1 HIS 38 HE1 HIS 38 89.505 3.076 -3.826
154 H ARG 39 HN ARG 39 90.423 -0.748 -5.445
155 HA ARG 39 HA ARG 39 89.329 -2.460 -4.366
156 1HB ARG 39 HB2 ARG 39 89.711 -2.966 -7.088
157 2HB ARG 39 HB1 ARG 39 90.073 -4.495 -6.302
158 1HG ARG 39 HG2 ARG 39 87.844 -4.761 -6.605
159 2HG ARG 39 HG1 ARG 39 87.811 -3.956 -5.039
160 1HD ARG 39 HD2 ARG 39 87.765 -1.795 -6.562
161 2HD ARG 39 HD1 ARG 39 87.076 -2.923 -7.725
162 HE ARG 39 HE ARG 39 85.856 -1.973 -5.270
163 1HH1 ARG 39 1HH1 ARG 39 85.751 -4.294 -7.879
164 2HH1 ARG 39 2HH1 ARG 39 84.072 -4.650 -7.657
165 1HH2 ARG 39 1HH2 ARG 39 83.649 -2.445 -4.983
166 2HH2 ARG 39 2HH2 ARG 39 82.879 -3.603 -6.014
167 H SER 40 HN SER 40 92.219 -2.203 -3.623
168 HA SER 40 HA SER 40 92.393 -4.550 -2.073
169 1HB SER 40 HB2 SER 40 93.822 -4.550 -4.672
170 2HB SER 40 HB1 SER 40 94.665 -5.231 -3.282
171 HG SER 40 HG SER 40 93.261 -6.833 -3.192
172 H LEU 41 HN LEU 41 92.967 -1.474 -2.111
173 HA LEU 41 HA LEU 41 94.224 -0.161 -0.758
174 1HB LEU 41 HB2 LEU 41 95.965 -2.482 -0.004
175 2HB LEU 41 HB1 LEU 41 95.575 -1.051 0.931
176 HG LEU 41 HG LEU 41 93.339 -2.898 0.258
177 1HD1 LEU 41 1HD1 LEU 41 95.065 -3.496 2.627
178 2HD1 LEU 41 2HD1 LEU 41 95.406 -4.230 1.058
179 3HD1 LEU 41 3HD1 LEU 41 93.850 -4.506 1.841
180 1HD2 LEU 41 1HD2 LEU 41 93.458 -0.635 1.666
181 2HD2 LEU 41 2HD2 LEU 41 93.797 -1.793 2.953
182 3HD2 LEU 41 3HD2 LEU 41 92.312 -1.927 2.013
183 H SER 42 HN SER 42 96.881 0.067 -0.323
184 HA SER 42 HA SER 42 98.887 0.571 -1.289
185 1HB SER 42 HB2 SER 42 97.966 -1.037 -3.685
186 2HB SER 42 HB1 SER 42 99.613 -0.521 -3.334
187 HG SER 42 HG SER 42 99.718 -1.943 -1.676
188 H GLY 43 HN GLY 43 95.852 1.160 -2.724
189 1HA GLY 43 HA2 GLY 43 96.893 3.557 -4.026
190 2HA GLY 43 HA1 GLY 43 95.682 2.552 -4.798
191 H CYS 44 HN CYS 44 93.615 2.578 -4.113
192 HA CYS 44 HA CYS 44 91.694 3.486 -3.273
193 1HB CYS 44 HB2 CYS 44 92.880 2.443 -1.220
194 2HB CYS 44 HB1 CYS 44 93.176 4.114 -0.746
195 HA PRO 45 HA PRO 45 92.422 7.912 -3.806
196 1HB PRO 45 HB2 PRO 45 90.085 8.491 -4.994
197 2HB PRO 45 HB1 PRO 45 91.360 7.610 -5.836
198 1HG PRO 45 HG2 PRO 45 88.792 6.637 -4.765
199 2HG PRO 45 HG1 PRO 45 89.793 5.972 -6.061
200 1HD PRO 45 HD2 PRO 45 89.635 5.098 -3.338
201 2HD PRO 45 HD1 PRO 45 90.662 4.461 -4.632
202 H HIS 46 HN HIS 46 91.016 6.743 -1.249
203 HA HIS 46 HA HIS 46 89.355 9.115 -0.756
204 1HB HIS 46 HB2 HIS 46 89.110 6.519 0.723
205 2HB HIS 46 HB1 HIS 46 87.915 7.788 0.511
206 HD2 HIS 46 HD2 HIS 46 88.595 4.422 -0.743
207 HE1 HIS 46 HE1 HIS 46 86.603 6.349 -3.919
208 HE2 HIS 46 HE2 HIS 46 87.490 4.144 -3.066
209 H LYS 47 HN LYS 47 90.344 6.965 1.873
210 HA LYS 47 HA LYS 47 91.807 7.222 3.600
211 1HB LYS 47 HB2 LYS 47 93.052 8.698 1.562
212 2HB LYS 47 HB1 LYS 47 93.055 9.745 2.974
213 1HG LYS 47 HG2 LYS 47 93.867 7.455 4.108
214 2HG LYS 47 HG1 LYS 47 94.487 7.220 2.474
215 1HD LYS 47 HD2 LYS 47 96.176 8.607 2.881
216 2HD LYS 47 HD1 LYS 47 95.050 9.897 3.305
217 1HE LYS 47 HE2 LYS 47 96.345 9.646 5.225
218 2HE LYS 47 HE1 LYS 47 94.889 8.722 5.586
219 1HZ LYS 47 HZ1 LYS 47 97.129 7.303 4.353
220 2HZ LYS 47 HZ2 LYS 47 95.995 6.758 5.483
221 3HZ LYS 47 HZ3 LYS 47 97.278 7.740 5.982
222 H ASP 48 HN ASP 48 89.535 7.716 4.497
223 HA ASP 48 HA ASP 48 89.771 10.279 5.919
224 1HB ASP 48 HB2 ASP 48 88.200 10.654 4.045
225 2HB ASP 48 HB1 ASP 48 87.181 9.359 4.661
226 H ARG 49 HN ARG 49 89.824 7.169 6.263
227 HA ARG 49 HA ARG 49 88.917 5.592 7.707
228 1HB ARG 49 HB2 ARG 49 89.802 6.000 9.937
229 2HB ARG 49 HB1 ARG 49 90.948 6.492 8.700
230 1HG ARG 49 HG2 ARG 49 91.086 8.482 9.652
231 2HG ARG 49 HG1 ARG 49 89.382 8.754 9.283
232 1HD ARG 49 HD2 ARG 49 89.598 9.085 11.607
233 2HD ARG 49 HD1 ARG 49 88.856 7.499 11.416
234 HE ARG 49 HE ARG 49 91.462 6.884 11.594
235 1HH1 ARG 49 1HH1 ARG 49 89.417 8.934 13.546
236 2HH1 ARG 49 2HH1 ARG 49 90.306 8.645 15.004
237 1HH2 ARG 49 1HH2 ARG 49 92.627 6.501 13.515
238 2HH2 ARG 49 2HH2 ARG 49 92.125 7.265 14.986
239 H VAL 50 HN VAL 50 86.654 6.996 6.956
240 HA VAL 50 HA VAL 50 85.037 6.540 9.288
241 HB VAL 50 HB VAL 50 85.078 9.343 8.152
242 1HG1 VAL 50 1HG1 VAL 50 83.119 7.875 9.809
243 2HG1 VAL 50 2HG1 VAL 50 82.874 9.189 8.658
244 3HG1 VAL 50 3HG1 VAL 50 83.481 9.536 10.278
245 1HG2 VAL 50 1HG2 VAL 50 86.902 9.095 9.649
246 2HG2 VAL 50 2HG2 VAL 50 85.913 8.211 10.809
247 3HG2 VAL 50 3HG2 VAL 50 85.626 9.929 10.536
248 HA PRO 51 HA PRO 51 82.233 6.900 5.514
249 1HB PRO 51 HB2 PRO 51 82.851 8.556 3.475
250 2HB PRO 51 HB1 PRO 51 82.208 9.162 5.004
251 1HG PRO 51 HG2 PRO 51 84.904 9.416 3.887
252 2HG PRO 51 HG1 PRO 51 84.138 10.341 5.186
253 1HD PRO 51 HD2 PRO 51 85.965 8.085 5.382
254 2HD PRO 51 HD1 PRO 51 85.373 9.154 6.660
255 HA PRO 52 HA PRO 52 83.559 4.020 2.378
256 1HB PRO 52 HB2 PRO 52 82.965 5.301 -0.044
257 2HB PRO 52 HB1 PRO 52 81.864 4.267 0.868
258 1HG PRO 52 HG2 PRO 52 82.066 7.243 0.828
259 2HG PRO 52 HG1 PRO 52 80.623 6.215 0.911
260 1HD PRO 52 HD2 PRO 52 81.523 7.448 3.086
261 2HD PRO 52 HD1 PRO 52 80.916 5.784 3.187
262 H GLU 53 HN GLU 53 85.778 4.511 3.035
263 HA GLU 53 HA GLU 53 87.300 5.730 0.904
264 1HB GLU 53 HB2 GLU 53 87.639 6.354 3.828
265 2HB GLU 53 HB1 GLU 53 88.691 6.942 2.548
266 1HG GLU 53 HG2 GLU 53 86.059 7.630 1.823
267 2HG GLU 53 HG1 GLU 53 86.245 8.038 3.522
268 H ILE 54 HN ILE 54 88.762 4.969 3.900
269 HA ILE 54 HA ILE 54 89.675 2.345 3.067
270 HB ILE 54 HB ILE 54 91.943 3.739 4.149
271 1HG1 ILE 54 2HG1 ILE 54 90.887 4.932 1.576
272 2HG1 ILE 54 1HG1 ILE 54 90.956 5.746 3.134
273 1HG2 ILE 54 1HG2 ILE 54 92.933 2.978 1.931
274 2HG2 ILE 54 2HG2 ILE 54 91.354 2.266 1.619
275 3HG2 ILE 54 3HG2 ILE 54 92.293 1.740 3.010
276 1HD1 ILE 54 1HD1 ILE 54 93.315 4.744 1.564
277 2HD1 ILE 54 2HD1 ILE 54 93.386 5.565 3.124
278 3HD1 ILE 54 3HD1 ILE 54 92.793 6.422 1.703
279 H LEU 55 HN LEU 55 87.961 3.618 5.108
280 HA LEU 55 HA LEU 55 89.054 3.859 7.597
281 1HB LEU 55 HB2 LEU 55 86.711 4.292 7.175
282 2HB LEU 55 HB1 LEU 55 86.426 2.592 6.855
283 HG LEU 55 HG LEU 55 87.515 3.267 9.529
284 1HD1 LEU 55 1HD1 LEU 55 84.982 4.343 8.491
285 2HD1 LEU 55 2HD1 LEU 55 85.978 4.881 9.843
286 3HD1 LEU 55 3HD1 LEU 55 84.879 3.515 10.043
287 1HD2 LEU 55 1HD2 LEU 55 85.198 1.493 8.850
288 2HD2 LEU 55 2HD2 LEU 55 86.313 1.394 10.211
289 3HD2 LEU 55 3HD2 LEU 55 86.860 0.964 8.591
290 H ALA 56 HN ALA 56 88.930 1.040 5.738
291 HA ALA 56 HA ALA 56 89.999 -0.461 7.976
292 1HB ALA 56 HB1 ALA 56 88.335 -1.921 7.994
293 2HB ALA 56 HB2 ALA 56 88.613 -2.283 6.291
294 3HB ALA 56 HB3 ALA 56 87.519 -0.978 6.747
295 H MET 57 HN MET 57 91.757 0.671 6.440
296 HA MET 57 HA MET 57 92.466 -0.615 4.046
297 1HB MET 57 HB2 MET 57 93.348 1.598 5.090
298 2HB MET 57 HB1 MET 57 94.524 0.567 5.887
299 1HG MET 57 HG2 MET 57 94.113 0.579 2.912
300 2HG MET 57 HG1 MET 57 95.258 1.638 3.734
301 1HE MET 57 HE1 MET 57 97.956 -0.710 5.083
302 2HE MET 57 HE2 MET 57 96.784 0.440 5.727
303 3HE MET 57 HE3 MET 57 97.749 0.861 4.312
304 H HIS 58 HN HIS 58 94.437 -0.877 7.006
305 HA HIS 58 HA HIS 58 94.707 -3.754 6.435
306 1HB HIS 58 HB2 HIS 58 96.736 -1.951 6.229
307 2HB HIS 58 HB1 HIS 58 96.919 -2.464 7.902
308 HD2 HIS 58 HD2 HIS 58 97.980 -3.532 4.475
309 HE1 HIS 58 HE1 HIS 58 98.260 -6.965 6.934
310 HE2 HIS 58 HE2 HIS 58 99.021 -5.890 4.767
311 H GLU 59 HN GLU 59 95.706 -1.652 9.134
312 HA GLU 59 HA GLU 59 94.888 -3.609 11.059
313 1HB GLU 59 HB2 GLU 59 96.707 -1.591 11.089
314 2HB GLU 59 HB1 GLU 59 95.390 -0.852 11.988
315 1HG GLU 59 HG2 GLU 59 95.439 -2.548 13.636
316 2HG GLU 59 HG1 GLU 59 96.506 -3.557 12.661
317 H ASN 60 HN ASN 60 93.926 -0.186 10.759
318 HA ASN 60 HA ASN 60 91.190 -0.562 10.559
319 1HB ASN 60 HB2 ASN 60 92.186 -1.087 13.217
320 2HB ASN 60 HB1 ASN 60 91.099 0.298 13.238
321 1HD2 ASN 60 1HD2 ASN 60 91.009 -2.684 14.032
322 2HD2 ASN 60 2HD2 ASN 60 89.463 -3.196 13.430
323 H VAL 61 HN VAL 61 90.051 1.359 10.508
324 HA VAL 61 HA VAL 61 89.853 3.554 9.930
325 HB VAL 61 HB VAL 61 90.500 5.145 11.758
326 1HG1 VAL 61 1HG1 VAL 61 89.035 3.706 13.490
327 2HG1 VAL 61 2HG1 VAL 61 88.716 2.810 12.007
328 3HG1 VAL 61 3HG1 VAL 61 88.352 4.533 12.090
329 1HG2 VAL 61 1HG2 VAL 61 92.462 3.883 12.582
330 2HG2 VAL 61 2HG2 VAL 61 91.374 2.637 13.190
331 3HG2 VAL 61 3HG2 VAL 61 91.310 4.267 13.860
332 H LEU 62 HN LEU 62 90.930 4.230 8.200
333 HA LEU 62 HA LEU 62 92.494 5.308 6.950
334 1HB LEU 62 HB2 LEU 62 92.720 6.527 9.345
335 2HB LEU 62 HB1 LEU 62 94.327 5.844 9.208
336 HG LEU 62 HG LEU 62 94.020 6.999 6.749
337 1HD1 LEU 62 1HD1 LEU 62 91.855 7.984 7.861
338 2HD1 LEU 62 2HD1 LEU 62 92.874 8.976 6.818
339 3HD1 LEU 62 3HD1 LEU 62 93.004 9.119 8.571
340 1HD2 LEU 62 1HD2 LEU 62 95.307 7.800 9.305
341 2HD2 LEU 62 2HD2 LEU 62 95.285 8.962 7.978
342 3HD2 LEU 62 3HD2 LEU 62 96.033 7.381 7.754
343 H LYS 63 HN LYS 63 95.188 5.404 6.926
344 HA LYS 63 HA LYS 63 95.882 2.619 6.517
345 1HB LYS 63 HB2 LYS 63 96.391 4.475 4.866
346 2HB LYS 63 HB1 LYS 63 97.607 5.042 6.004
347 1HG LYS 63 HG2 LYS 63 98.202 2.368 5.733
348 2HG LYS 63 HG1 LYS 63 97.702 2.843 4.109
349 1HD LYS 63 HD2 LYS 63 99.320 4.655 4.116
350 2HD LYS 63 HD1 LYS 63 99.782 4.262 5.773
351 1HE LYS 63 HE2 LYS 63 101.438 3.308 4.379
352 2HE LYS 63 HE1 LYS 63 100.421 1.975 4.924
353 1HZ LYS 63 HZ1 LYS 63 100.903 1.798 2.571
354 2HZ LYS 63 HZ2 LYS 63 100.240 3.328 2.286
355 3HZ LYS 63 HZ3 LYS 63 99.249 2.061 2.807
Start of MODEL 11
1 H ARG 16 HN ARG 16 100.224 -10.461 1.766
2 HA ARG 16 HA ARG 16 98.094 -11.224 2.013
3 1HB ARG 16 HB2 ARG 16 97.652 -8.296 2.591
4 2HB ARG 16 HB1 ARG 16 96.342 -9.468 2.645
5 1HG ARG 16 HG2 ARG 16 98.836 -9.918 4.227
6 2HG ARG 16 HG1 ARG 16 97.572 -8.840 4.823
7 1HD ARG 16 HD2 ARG 16 96.929 -10.835 5.765
8 2HD ARG 16 HD1 ARG 16 96.004 -10.856 4.263
9 HE ARG 16 HE ARG 16 97.249 -12.644 3.560
10 1HH1 ARG 16 1HH1 ARG 16 98.848 -11.155 6.281
11 2HH1 ARG 16 2HH1 ARG 16 100.024 -12.414 6.439
12 1HH2 ARG 16 1HH2 ARG 16 98.798 -14.302 3.766
13 2HH2 ARG 16 2HH2 ARG 16 99.998 -14.200 5.011
14 H GLU 17 HN GLU 17 96.032 -11.376 0.898
15 HA GLU 17 HA GLU 17 96.089 -10.048 -1.733
16 1HB GLU 17 HB2 GLU 17 96.047 -12.836 -1.063
17 2HB GLU 17 HB1 GLU 17 94.562 -12.428 -1.912
18 1HG GLU 17 HG2 GLU 17 97.051 -11.368 -3.079
19 2HG GLU 17 HG1 GLU 17 96.844 -13.118 -3.137
20 H SER 18 HN SER 18 94.781 -8.964 0.539
21 HA SER 18 HA SER 18 91.940 -9.492 0.089
22 1HB SER 18 HB2 SER 18 93.526 -8.189 2.258
23 2HB SER 18 HB1 SER 18 91.858 -7.670 2.023
24 HG SER 18 HG SER 18 91.521 -9.350 3.280
25 H LYS 19 HN LYS 19 90.470 -7.646 -0.177
26 HA LYS 19 HA LYS 19 91.686 -5.558 -1.806
27 1HB LYS 19 HB2 LYS 19 89.642 -5.418 -3.026
28 2HB LYS 19 HB1 LYS 19 90.080 -7.111 -2.921
29 1HG LYS 19 HG2 LYS 19 88.166 -5.906 -0.966
30 2HG LYS 19 HG1 LYS 19 87.629 -6.425 -2.561
31 1HD LYS 19 HD2 LYS 19 89.061 -8.588 -1.775
32 2HD LYS 19 HD1 LYS 19 88.437 -8.017 -0.225
33 1HE LYS 19 HE2 LYS 19 86.167 -8.068 -1.100
34 2HE LYS 19 HE1 LYS 19 86.771 -8.574 -2.678
35 1HZ LYS 19 HZ1 LYS 19 87.666 -10.283 -0.562
36 2HZ LYS 19 HZ2 LYS 19 86.886 -10.679 -2.011
37 3HZ LYS 19 HZ3 LYS 19 85.977 -10.222 -0.660
38 H CYS 20 HN CYS 20 89.576 -3.774 -1.905
39 HA CYS 20 HA CYS 20 89.550 -2.720 0.835
40 1HB CYS 20 HB2 CYS 20 90.770 -1.417 -0.872
41 2HB CYS 20 HB1 CYS 20 89.284 -1.238 -1.781
42 HA PRO 21 HA PRO 21 85.078 -3.093 -0.260
43 1HB PRO 21 HB2 PRO 21 84.273 -5.029 1.387
44 2HB PRO 21 HB1 PRO 21 85.096 -5.419 -0.128
45 1HG PRO 21 HG2 PRO 21 86.137 -5.464 2.659
46 2HG PRO 21 HG1 PRO 21 86.542 -6.512 1.289
47 1HD PRO 21 HD2 PRO 21 88.016 -4.283 2.205
48 2HD PRO 21 HD1 PRO 21 88.262 -5.165 0.692
49 H THR 22 HN THR 22 85.609 -0.923 0.922
50 HA THR 22 HA THR 22 85.087 -0.947 3.754
51 HB THR 22 HB THR 22 85.126 1.506 2.028
52 HG1 THR 22 HG1 THR 22 86.959 0.551 1.363
53 1HG2 THR 22 1HG2 THR 22 84.738 2.143 4.212
54 2HG2 THR 22 2HG2 THR 22 86.488 2.309 4.044
55 3HG2 THR 22 3HG2 THR 22 85.809 0.903 4.865
56 HA PRO 23 HA PRO 23 80.678 -0.743 3.769
57 1HB PRO 23 HB2 PRO 23 81.127 1.535 5.653
58 2HB PRO 23 HB1 PRO 23 80.057 0.137 5.816
59 1HG PRO 23 HG2 PRO 23 82.363 0.236 7.140
60 2HG PRO 23 HG1 PRO 23 81.786 -1.282 6.432
61 1HD PRO 23 HD2 PRO 23 83.963 0.527 5.517
62 2HD PRO 23 HD1 PRO 23 83.819 -1.235 5.366
63 H GLY 24 HN GLY 24 82.717 2.014 3.150
64 1HA GLY 24 HA2 GLY 24 80.484 3.267 1.694
65 2HA GLY 24 HA1 GLY 24 81.691 4.198 2.560
66 H CYS 25 HN CYS 25 84.008 2.657 1.667
67 HA CYS 25 HA CYS 25 84.752 4.080 -0.531
68 1HB CYS 25 HB2 CYS 25 86.315 2.493 0.789
69 2HB CYS 25 HB1 CYS 25 85.693 1.222 -0.286
70 H ASP 26 HN ASP 26 84.945 3.686 -2.785
71 HA ASP 26 HA ASP 26 82.743 2.023 -3.803
72 1HB ASP 26 HB2 ASP 26 82.780 4.552 -4.187
73 2HB ASP 26 HB1 ASP 26 84.114 4.251 -5.294
74 H GLY 27 HN GLY 27 86.160 2.765 -4.177
75 1HA GLY 27 HA2 GLY 27 87.813 1.333 -5.000
76 2HA GLY 27 HA1 GLY 27 86.554 0.242 -5.535
77 H THR 28 HN THR 28 87.349 3.569 -6.169
78 HA THR 28 HA THR 28 87.928 3.106 -8.908
79 HB THR 28 HB THR 28 85.301 4.002 -8.006
80 HG1 THR 28 HG1 THR 28 86.176 3.321 -10.610
81 1HG2 THR 28 1HG2 THR 28 86.781 5.705 -9.965
82 2HG2 THR 28 2HG2 THR 28 85.770 6.189 -8.604
83 3HG2 THR 28 3HG2 THR 28 85.031 5.506 -10.054
84 H GLY 29 HN GLY 29 89.467 4.498 -9.519
85 1HA GLY 29 HA2 GLY 29 90.434 6.639 -9.754
86 2HA GLY 29 HA1 GLY 29 89.539 7.182 -8.343
87 H HIS 30 HN HIS 30 91.277 4.186 -8.258
88 HA HIS 30 HA HIS 30 92.719 3.580 -6.466
89 1HB HIS 30 HB2 HIS 30 93.576 3.843 -8.914
90 2HB HIS 30 HB1 HIS 30 94.625 5.041 -8.226
91 HD2 HIS 30 HD2 HIS 30 93.878 1.200 -7.751
92 HE1 HIS 30 HE1 HIS 30 97.949 1.995 -6.949
93 HE2 HIS 30 HE2 HIS 30 96.224 0.188 -7.339
94 H VAL 31 HN VAL 31 95.222 4.698 -5.912
95 HA VAL 31 HA VAL 31 94.544 6.513 -3.827
96 HB VAL 31 HB VAL 31 96.460 5.011 -3.611
97 1HG1 VAL 31 1HG1 VAL 31 98.560 5.511 -4.817
98 2HG1 VAL 31 2HG1 VAL 31 97.673 6.673 -5.802
99 3HG1 VAL 31 3HG1 VAL 31 97.257 4.963 -5.872
100 1HG2 VAL 31 1HG2 VAL 31 96.967 7.959 -3.425
101 2HG2 VAL 31 2HG2 VAL 31 98.187 6.785 -2.931
102 3HG2 VAL 31 3HG2 VAL 31 96.614 6.808 -2.136
103 H THR 32 HN THR 32 95.879 7.040 -7.080
104 HA THR 32 HA THR 32 95.842 9.928 -6.529
105 HB THR 32 HB THR 32 97.534 10.211 -8.164
106 HG1 THR 32 HG1 THR 32 98.225 8.241 -9.359
107 1HG2 THR 32 1HG2 THR 32 99.319 9.232 -7.213
108 2HG2 THR 32 2HG2 THR 32 98.592 7.626 -7.247
109 3HG2 THR 32 3HG2 THR 32 98.135 8.775 -5.989
110 H GLY 33 HN GLY 33 94.108 7.505 -7.998
111 1HA GLY 33 HA2 GLY 33 92.293 7.605 -9.405
112 2HA GLY 33 HA1 GLY 33 92.525 9.339 -9.466
113 H LEU 34 HN LEU 34 95.337 7.638 -10.084
114 HA LEU 34 HA LEU 34 95.088 8.222 -12.927
115 1HB LEU 34 HB2 LEU 34 97.601 7.585 -11.417
116 2HB LEU 34 HB1 LEU 34 97.465 8.257 -13.037
117 HG LEU 34 HG LEU 34 96.346 9.649 -10.654
118 1HD1 LEU 34 1HD1 LEU 34 98.366 10.277 -9.937
119 2HD1 LEU 34 2HD1 LEU 34 98.802 10.844 -11.548
120 3HD1 LEU 34 3HD1 LEU 34 99.087 9.163 -11.097
121 1HD2 LEU 34 1HD2 LEU 34 96.132 10.117 -13.367
122 2HD2 LEU 34 2HD2 LEU 34 97.371 11.256 -12.842
123 3HD2 LEU 34 3HD2 LEU 34 95.783 11.267 -12.076
124 H TYR 35 HN TYR 35 94.457 5.769 -10.976
125 HA TYR 35 HA TYR 35 95.577 3.760 -12.829
126 1HB TYR 35 HB2 TYR 35 94.689 3.297 -9.993
127 2HB TYR 35 HB1 TYR 35 95.464 2.128 -11.042
128 HD1 TYR 35 HD1 TYR 35 96.217 5.643 -10.057
129 HD2 TYR 35 HD2 TYR 35 97.597 1.642 -10.281
130 HE1 TYR 35 HE1 TYR 35 98.397 6.355 -9.172
131 HE2 TYR 35 HE2 TYR 35 99.785 2.337 -9.413
132 HH TYR 35 HH TYR 35 100.459 4.671 -7.794
133 HA PRO 36 HA PRO 36 91.435 2.610 -13.816
134 1HB PRO 36 HB2 PRO 36 91.940 -0.247 -13.694
135 2HB PRO 36 HB1 PRO 36 91.749 0.777 -15.118
136 1HG PRO 36 HG2 PRO 36 94.112 -0.390 -14.406
137 2HG PRO 36 HG1 PRO 36 94.001 1.116 -15.334
138 1HD PRO 36 HD2 PRO 36 94.557 0.719 -12.419
139 2HD PRO 36 HD1 PRO 36 95.276 1.880 -13.559
140 H HIS 37 HN HIS 37 91.796 3.110 -11.050
141 HA HIS 37 HA HIS 37 90.409 2.930 -9.229
142 1HB HIS 37 HB2 HIS 37 89.523 0.162 -9.931
143 2HB HIS 37 HB1 HIS 37 88.686 1.400 -9.016
144 HD2 HIS 37 HD2 HIS 37 88.866 3.708 -11.420
145 HE1 HIS 37 HE1 HIS 37 86.532 0.856 -13.498
146 HE2 HIS 37 HE2 HIS 37 87.126 3.313 -13.303
147 H HIS 38 HN HIS 38 90.216 1.152 -7.425
148 HA HIS 38 HA HIS 38 92.763 -0.301 -7.302
149 1HB HIS 38 HB2 HIS 38 93.065 0.320 -4.964
150 2HB HIS 38 HB1 HIS 38 93.001 1.754 -5.976
151 HD1 HIS 38 HD1 HIS 38 90.976 3.329 -5.664
152 HD2 HIS 38 HD2 HIS 38 91.024 0.044 -3.131
153 HE1 HIS 38 HE1 HIS 38 89.182 3.759 -3.898
154 H ARG 39 HN ARG 39 89.651 0.153 -5.679
155 HA ARG 39 HA ARG 39 88.310 -1.299 -4.555
156 1HB ARG 39 HB2 ARG 39 88.555 -2.047 -7.227
157 2HB ARG 39 HB1 ARG 39 88.711 -3.556 -6.338
158 1HG ARG 39 HG2 ARG 39 86.489 -1.686 -5.667
159 2HG ARG 39 HG1 ARG 39 86.371 -2.706 -7.101
160 1HD ARG 39 HD2 ARG 39 85.896 -4.502 -5.874
161 2HD ARG 39 HD1 ARG 39 87.279 -4.222 -4.818
162 HE ARG 39 HE ARG 39 85.455 -2.402 -3.974
163 1HH1 ARG 39 1HH1 ARG 39 85.358 -5.857 -4.464
164 2HH1 ARG 39 2HH1 ARG 39 84.189 -6.126 -3.217
165 1HH2 ARG 39 1HH2 ARG 39 83.916 -2.755 -2.333
166 2HH2 ARG 39 2HH2 ARG 39 83.369 -4.366 -2.007
167 H SER 40 HN SER 40 91.337 -1.517 -3.983
168 HA SER 40 HA SER 40 91.059 -3.976 -2.489
169 1HB SER 40 HB2 SER 40 92.834 -5.128 -3.281
170 2HB SER 40 HB1 SER 40 92.369 -4.263 -4.751
171 HG SER 40 HG SER 40 94.703 -4.227 -3.779
172 H LEU 41 HN LEU 41 93.380 -1.280 -3.056
173 HA LEU 41 HA LEU 41 93.361 -0.070 -0.662
174 1HB LEU 41 HB2 LEU 41 95.265 -1.201 0.598
175 2HB LEU 41 HB1 LEU 41 93.694 -1.976 0.653
176 HG LEU 41 HG LEU 41 94.925 -3.123 -1.553
177 1HD1 LEU 41 1HD1 LEU 41 97.100 -3.813 -0.889
178 2HD1 LEU 41 2HD1 LEU 41 96.913 -3.097 0.712
179 3HD1 LEU 41 3HD1 LEU 41 97.045 -2.060 -0.707
180 1HD2 LEU 41 1HD2 LEU 41 94.204 -4.944 -0.505
181 2HD2 LEU 41 2HD2 LEU 41 93.735 -3.915 0.846
182 3HD2 LEU 41 3HD2 LEU 41 95.317 -4.693 0.838
183 H SER 42 HN SER 42 95.889 -1.785 -2.500
184 HA SER 42 HA SER 42 98.077 -0.306 -2.278
185 1HB SER 42 HB2 SER 42 98.710 -0.879 -4.508
186 2HB SER 42 HB1 SER 42 97.681 -2.187 -3.925
187 HG SER 42 HG SER 42 95.939 -1.169 -5.049
188 H GLY 43 HN GLY 43 95.203 0.730 -4.007
189 1HA GLY 43 HA2 GLY 43 96.455 3.330 -4.514
190 2HA GLY 43 HA1 GLY 43 95.032 2.706 -5.325
191 H CYS 44 HN CYS 44 93.084 2.995 -4.500
192 HA CYS 44 HA CYS 44 91.431 4.017 -3.261
193 1HB CYS 44 HB2 CYS 44 92.431 2.247 -1.630
194 2HB CYS 44 HB1 CYS 44 93.119 3.641 -0.806
195 HA PRO 45 HA PRO 45 93.317 8.122 -2.798
196 1HB PRO 45 HB2 PRO 45 91.488 9.513 -4.109
197 2HB PRO 45 HB1 PRO 45 92.552 8.404 -4.980
198 1HG PRO 45 HG2 PRO 45 89.688 8.080 -4.215
199 2HG PRO 45 HG1 PRO 45 90.535 7.503 -5.660
200 1HD PRO 45 HD2 PRO 45 89.947 6.013 -3.321
201 2HD PRO 45 HD1 PRO 45 90.992 5.512 -4.663
202 H HIS 46 HN HIS 46 91.288 6.813 -0.826
203 HA HIS 46 HA HIS 46 89.978 9.298 0.036
204 1HB HIS 46 HB2 HIS 46 89.318 6.566 1.069
205 2HB HIS 46 HB1 HIS 46 88.314 8.007 1.022
206 HD2 HIS 46 HD2 HIS 46 88.591 4.794 -0.745
207 HE1 HIS 46 HE1 HIS 46 86.929 7.455 -3.562
208 HE2 HIS 46 HE2 HIS 46 87.527 5.047 -3.089
209 H LYS 47 HN LYS 47 90.962 6.418 1.929
210 HA LYS 47 HA LYS 47 92.009 6.210 3.908
211 1HB LYS 47 HB2 LYS 47 94.184 7.032 4.044
212 2HB LYS 47 HB1 LYS 47 93.877 6.911 2.323
213 1HG LYS 47 HG2 LYS 47 93.208 9.452 2.634
214 2HG LYS 47 HG1 LYS 47 94.289 9.304 4.017
215 1HD LYS 47 HD2 LYS 47 95.764 8.083 2.120
216 2HD LYS 47 HD1 LYS 47 94.877 9.240 1.128
217 1HE LYS 47 HE2 LYS 47 95.582 10.957 2.935
218 2HE LYS 47 HE1 LYS 47 96.788 9.749 3.376
219 1HZ LYS 47 HZ1 LYS 47 97.315 11.586 1.617
220 2HZ LYS 47 HZ2 LYS 47 96.540 10.520 0.557
221 3HZ LYS 47 HZ3 LYS 47 97.904 10.011 1.417
222 H ASP 48 HN ASP 48 89.878 7.122 4.717
223 HA ASP 48 HA ASP 48 90.581 9.378 6.482
224 1HB ASP 48 HB2 ASP 48 88.766 9.670 4.441
225 2HB ASP 48 HB1 ASP 48 87.734 9.290 5.817
226 H ARG 49 HN ARG 49 89.465 6.241 6.174
227 HA ARG 49 HA ARG 49 88.567 4.716 7.611
228 1HB ARG 49 HB2 ARG 49 90.590 5.993 8.918
229 2HB ARG 49 HB1 ARG 49 89.266 6.184 10.057
230 1HG ARG 49 HG2 ARG 49 89.362 3.491 9.036
231 2HG ARG 49 HG1 ARG 49 90.911 3.961 9.737
232 1HD ARG 49 HD2 ARG 49 90.010 4.294 11.838
233 2HD ARG 49 HD1 ARG 49 88.383 4.547 11.209
234 HE ARG 49 HE ARG 49 89.668 1.897 11.176
235 1HH1 ARG 49 1HH1 ARG 49 86.956 3.954 11.985
236 2HH1 ARG 49 2HH1 ARG 49 85.948 2.635 12.465
237 1HH2 ARG 49 1HH2 ARG 49 88.336 0.172 11.813
238 2HH2 ARG 49 2HH2 ARG 49 86.726 0.492 12.370
239 H VAL 50 HN VAL 50 86.610 4.270 8.212
240 HA VAL 50 HA VAL 50 84.669 4.367 9.449
241 HB VAL 50 HB VAL 50 84.950 7.372 9.654
242 1HG1 VAL 50 1HG1 VAL 50 82.651 6.396 9.755
243 2HG1 VAL 50 2HG1 VAL 50 83.155 7.270 11.202
244 3HG1 VAL 50 3HG1 VAL 50 83.167 5.507 11.189
245 1HG2 VAL 50 1HG2 VAL 50 86.093 7.162 11.582
246 2HG2 VAL 50 2HG2 VAL 50 86.573 5.607 10.903
247 3HG2 VAL 50 3HG2 VAL 50 85.236 5.695 12.047
248 HA PRO 51 HA PRO 51 82.256 6.763 6.133
249 1HB PRO 51 HB2 PRO 51 84.007 8.627 4.757
250 2HB PRO 51 HB1 PRO 51 82.524 8.965 5.647
251 1HG PRO 51 HG2 PRO 51 84.992 9.750 6.484
252 2HG PRO 51 HG1 PRO 51 83.642 9.422 7.585
253 1HD PRO 51 HD2 PRO 51 85.983 7.697 6.891
254 2HD PRO 51 HD1 PRO 51 85.190 7.958 8.448
255 HA PRO 52 HA PRO 52 83.572 4.636 2.446
256 1HB PRO 52 HB2 PRO 52 83.307 6.301 0.304
257 2HB PRO 52 HB1 PRO 52 81.923 5.580 1.131
258 1HG PRO 52 HG2 PRO 52 83.098 8.315 1.454
259 2HG PRO 52 HG1 PRO 52 81.394 7.838 1.306
260 1HD PRO 52 HD2 PRO 52 82.487 8.399 3.682
261 2HD PRO 52 HD1 PRO 52 81.271 7.120 3.504
262 H GLU 53 HN GLU 53 85.816 4.308 2.838
263 HA GLU 53 HA GLU 53 87.540 5.828 1.144
264 1HB GLU 53 HB2 GLU 53 87.905 5.788 4.122
265 2HB GLU 53 HB1 GLU 53 89.181 6.250 3.007
266 1HG GLU 53 HG2 GLU 53 88.418 8.318 3.249
267 2HG GLU 53 HG1 GLU 53 87.098 7.825 2.200
268 H ILE 54 HN ILE 54 89.043 4.259 3.755
269 HA ILE 54 HA ILE 54 89.548 1.830 2.176
270 HB ILE 54 HB ILE 54 91.859 2.530 3.769
271 1HG1 ILE 54 2HG1 ILE 54 91.104 4.512 1.610
272 2HG1 ILE 54 1HG1 ILE 54 91.238 4.836 3.331
273 1HG2 ILE 54 1HG2 ILE 54 92.616 1.125 2.237
274 2HG2 ILE 54 2HG2 ILE 54 92.605 2.475 1.102
275 3HG2 ILE 54 3HG2 ILE 54 91.220 1.394 1.198
276 1HD1 ILE 54 1HD1 ILE 54 93.635 3.685 2.102
277 2HD1 ILE 54 2HD1 ILE 54 93.466 5.014 3.249
278 3HD1 ILE 54 3HD1 ILE 54 93.188 5.291 1.529
279 H LEU 55 HN LEU 55 88.195 2.952 4.832
280 HA LEU 55 HA LEU 55 89.301 1.803 7.042
281 1HB LEU 55 HB2 LEU 55 87.373 3.087 7.362
282 2HB LEU 55 HB1 LEU 55 86.425 2.100 6.276
283 HG LEU 55 HG LEU 55 87.489 0.907 8.808
284 1HD1 LEU 55 1HD1 LEU 55 85.321 1.545 9.878
285 2HD1 LEU 55 2HD1 LEU 55 85.066 2.671 8.544
286 3HD1 LEU 55 3HD1 LEU 55 86.445 2.881 9.625
287 1HD2 LEU 55 1HD2 LEU 55 85.016 -0.087 8.419
288 2HD2 LEU 55 2HD2 LEU 55 86.477 -0.799 7.734
289 3HD2 LEU 55 3HD2 LEU 55 85.474 0.271 6.755
290 H ALA 56 HN ALA 56 87.842 0.138 4.420
291 HA ALA 56 HA ALA 56 87.165 -2.289 5.531
292 1HB ALA 56 HB1 ALA 56 88.525 -2.411 2.915
293 2HB ALA 56 HB2 ALA 56 87.128 -1.346 3.035
294 3HB ALA 56 HB3 ALA 56 86.963 -3.057 3.414
295 H MET 57 HN MET 57 90.325 -1.246 4.312
296 HA MET 57 HA MET 57 91.700 -3.648 4.790
297 1HB MET 57 HB2 MET 57 92.347 -0.961 3.987
298 2HB MET 57 HB1 MET 57 93.522 -1.522 5.170
299 1HG MET 57 HG2 MET 57 92.810 -3.328 2.921
300 2HG MET 57 HG1 MET 57 93.840 -1.937 2.594
301 1HE MET 57 HE1 MET 57 93.365 -4.555 5.456
302 2HE MET 57 HE2 MET 57 94.855 -5.489 5.335
303 3HE MET 57 HE3 MET 57 93.668 -5.551 4.032
304 H HIS 58 HN HIS 58 90.906 -4.341 6.851
305 HA HIS 58 HA HIS 58 90.957 -3.046 9.253
306 1HB HIS 58 HB2 HIS 58 91.718 -5.928 8.746
307 2HB HIS 58 HB1 HIS 58 91.271 -5.260 10.310
308 HD2 HIS 58 HD2 HIS 58 88.649 -5.376 10.871
309 HE1 HIS 58 HE1 HIS 58 87.302 -6.140 6.931
310 HE2 HIS 58 HE2 HIS 58 86.649 -6.089 9.380
311 H GLU 59 HN GLU 59 93.694 -4.229 7.448
312 HA GLU 59 HA GLU 59 95.532 -3.888 9.657
313 1HB GLU 59 HB2 GLU 59 95.572 -5.450 7.407
314 2HB GLU 59 HB1 GLU 59 96.666 -4.148 6.958
315 1HG GLU 59 HG2 GLU 59 97.229 -5.053 9.625
316 2HG GLU 59 HG1 GLU 59 97.238 -6.405 8.495
317 H ASN 60 HN ASN 60 95.005 -2.354 6.487
318 HA ASN 60 HA ASN 60 96.611 -0.066 7.389
319 1HB ASN 60 HB2 ASN 60 97.139 -1.271 5.206
320 2HB ASN 60 HB1 ASN 60 95.646 -0.580 4.576
321 1HD2 ASN 60 1HD2 ASN 60 98.422 0.551 6.485
322 2HD2 ASN 60 2HD2 ASN 60 98.700 1.981 5.542
323 H VAL 61 HN VAL 61 94.387 0.116 8.700
324 HA VAL 61 HA VAL 61 92.276 1.430 7.232
325 HB VAL 61 HB VAL 61 91.281 1.816 9.495
326 1HG1 VAL 61 1HG1 VAL 61 91.051 -0.310 8.029
327 2HG1 VAL 61 2HG1 VAL 61 90.477 -0.344 9.696
328 3HG1 VAL 61 3HG1 VAL 61 92.030 -1.071 9.282
329 1HG2 VAL 61 1HG2 VAL 61 93.502 1.882 10.666
330 2HG2 VAL 61 2HG2 VAL 61 93.553 0.126 10.517
331 3HG2 VAL 61 3HG2 VAL 61 92.270 0.895 11.451
332 H LEU 62 HN LEU 62 91.678 3.610 7.383
333 HA LEU 62 HA LEU 62 91.972 5.853 7.606
334 1HB LEU 62 HB2 LEU 62 92.531 4.960 10.054
335 2HB LEU 62 HB1 LEU 62 94.121 5.566 9.637
336 HG LEU 62 HG LEU 62 91.920 7.448 9.114
337 1HD1 LEU 62 1HD1 LEU 62 92.710 7.157 11.971
338 2HD1 LEU 62 2HD1 LEU 62 91.416 6.147 11.325
339 3HD1 LEU 62 3HD1 LEU 62 91.277 7.904 11.269
340 1HD2 LEU 62 1HD2 LEU 62 93.587 8.909 10.405
341 2HD2 LEU 62 2HD2 LEU 62 94.070 8.301 8.822
342 3HD2 LEU 62 3HD2 LEU 62 94.677 7.527 10.286
343 H LYS 63 HN LYS 63 95.225 4.576 8.301
344 HA LYS 63 HA LYS 63 96.200 6.085 5.965
345 1HB LYS 63 HB2 LYS 63 96.905 6.455 8.632
346 2HB LYS 63 HB1 LYS 63 98.235 5.517 7.967
347 1HG LYS 63 HG2 LYS 63 98.944 7.665 7.588
348 2HG LYS 63 HG1 LYS 63 98.165 7.278 6.054
349 1HD LYS 63 HD2 LYS 63 96.588 8.842 6.341
350 2HD LYS 63 HD1 LYS 63 96.324 8.387 8.025
351 1HE LYS 63 HE2 LYS 63 97.440 10.183 8.698
352 2HE LYS 63 HE1 LYS 63 98.871 9.636 7.829
353 1HZ LYS 63 HZ1 LYS 63 98.331 10.888 5.981
354 2HZ LYS 63 HZ2 LYS 63 97.862 11.906 7.246
355 3HZ LYS 63 HZ3 LYS 63 96.696 11.021 6.399
Start of MODEL 12
1 H ARG 16 HN ARG 16 93.573 -10.384 -6.141
2 HA ARG 16 HA ARG 16 93.223 -13.175 -5.484
3 1HB ARG 16 HB2 ARG 16 95.572 -11.616 -4.575
4 2HB ARG 16 HB1 ARG 16 94.762 -12.582 -3.350
5 1HG ARG 16 HG2 ARG 16 95.028 -14.571 -4.768
6 2HG ARG 16 HG1 ARG 16 95.893 -13.590 -5.953
7 1HD ARG 16 HD2 ARG 16 97.791 -13.844 -4.827
8 2HD ARG 16 HD1 ARG 16 97.049 -13.184 -3.371
9 HE ARG 16 HE ARG 16 96.758 -15.321 -2.573
10 1HH1 ARG 16 1HH1 ARG 16 97.704 -15.456 -5.930
11 2HH1 ARG 16 2HH1 ARG 16 97.991 -17.165 -5.908
12 1HH2 ARG 16 1HH2 ARG 16 97.131 -17.565 -2.545
13 2HH2 ARG 16 2HH2 ARG 16 97.664 -18.361 -3.988
14 H GLU 17 HN GLU 17 91.142 -11.736 -5.505
15 HA GLU 17 HA GLU 17 89.359 -11.007 -4.294
16 1HB GLU 17 HB2 GLU 17 90.695 -12.725 -2.589
17 2HB GLU 17 HB1 GLU 17 90.524 -11.264 -1.626
18 1HG GLU 17 HG2 GLU 17 88.378 -11.661 -1.264
19 2HG GLU 17 HG1 GLU 17 88.062 -11.888 -2.983
20 H SER 18 HN SER 18 88.614 -9.204 -3.000
21 HA SER 18 HA SER 18 90.295 -6.902 -3.319
22 1HB SER 18 HB2 SER 18 88.352 -5.676 -2.346
23 2HB SER 18 HB1 SER 18 87.906 -6.703 -3.708
24 HG SER 18 HG SER 18 87.729 -7.644 -1.056
25 H LYS 19 HN LYS 19 91.015 -5.474 -1.652
26 HA LYS 19 HA LYS 19 91.169 -6.727 0.999
27 1HB LYS 19 HB2 LYS 19 93.303 -5.465 -0.646
28 2HB LYS 19 HB1 LYS 19 93.399 -5.324 1.101
29 1HG LYS 19 HG2 LYS 19 94.575 -7.234 0.866
30 2HG LYS 19 HG1 LYS 19 92.961 -7.949 0.915
31 1HD LYS 19 HD2 LYS 19 93.708 -8.951 -0.983
32 2HD LYS 19 HD1 LYS 19 93.110 -7.453 -1.700
33 1HE LYS 19 HE2 LYS 19 95.239 -7.694 -2.621
34 2HE LYS 19 HE1 LYS 19 95.480 -6.551 -1.301
35 1HZ LYS 19 HZ1 LYS 19 96.511 -9.225 -1.632
36 2HZ LYS 19 HZ2 LYS 19 95.892 -8.916 -0.088
37 3HZ LYS 19 HZ3 LYS 19 97.117 -7.935 -0.719
38 H CYS 20 HN CYS 20 90.656 -3.858 -0.824
39 HA CYS 20 HA CYS 20 90.245 -2.315 1.646
40 1HB CYS 20 HB2 CYS 20 91.893 -1.482 -0.061
41 2HB CYS 20 HB1 CYS 20 90.536 -1.226 -1.149
42 HA PRO 21 HA PRO 21 86.112 -2.560 -0.739
43 1HB PRO 21 HB2 PRO 21 84.864 -4.735 0.206
44 2HB PRO 21 HB1 PRO 21 85.974 -4.837 -1.167
45 1HG PRO 21 HG2 PRO 21 86.460 -5.492 1.715
46 2HG PRO 21 HG1 PRO 21 86.944 -6.393 0.267
47 1HD PRO 21 HD2 PRO 21 88.620 -4.731 1.645
48 2HD PRO 21 HD1 PRO 21 88.784 -5.076 -0.088
49 H THR 22 HN THR 22 86.149 -0.722 0.826
50 HA THR 22 HA THR 22 85.032 -1.278 3.446
51 HB THR 22 HB THR 22 85.348 1.495 2.358
52 HG1 THR 22 HG1 THR 22 87.288 0.548 1.808
53 1HG2 THR 22 1HG2 THR 22 84.534 1.518 4.539
54 2HG2 THR 22 2HG2 THR 22 86.261 1.832 4.695
55 3HG2 THR 22 3HG2 THR 22 85.620 0.227 5.050
56 HA PRO 23 HA PRO 23 80.723 -1.058 2.542
57 1HB PRO 23 HB2 PRO 23 80.719 0.979 4.737
58 2HB PRO 23 HB1 PRO 23 79.635 -0.394 4.480
59 1HG PRO 23 HG2 PRO 23 81.598 -0.528 6.278
60 2HG PRO 23 HG1 PRO 23 81.173 -1.931 5.281
61 1HD PRO 23 HD2 PRO 23 83.536 -0.147 5.125
62 2HD PRO 23 HD1 PRO 23 83.371 -1.847 4.651
63 H GLY 24 HN GLY 24 82.605 1.881 2.941
64 1HA GLY 24 HA2 GLY 24 80.739 3.268 1.129
65 2HA GLY 24 HA1 GLY 24 81.752 4.074 2.314
66 H CYS 25 HN CYS 25 84.082 2.286 1.557
67 HA CYS 25 HA CYS 25 85.351 4.007 -0.213
68 1HB CYS 25 HB2 CYS 25 86.871 2.572 0.910
69 2HB CYS 25 HB1 CYS 25 85.898 1.144 0.535
70 H ASP 26 HN ASP 26 85.675 4.021 -2.438
71 HA ASP 26 HA ASP 26 83.511 2.889 -3.959
72 1HB ASP 26 HB2 ASP 26 84.594 5.234 -4.207
73 2HB ASP 26 HB1 ASP 26 85.833 4.392 -5.130
74 H GLY 27 HN GLY 27 87.053 2.621 -3.935
75 1HA GLY 27 HA2 GLY 27 88.402 0.859 -4.587
76 2HA GLY 27 HA1 GLY 27 86.949 -0.111 -4.752
77 H THR 28 HN THR 28 87.122 2.870 -6.394
78 HA THR 28 HA THR 28 87.975 1.692 -8.860
79 HB THR 28 HB THR 28 85.365 1.663 -8.299
80 HG1 THR 28 HG1 THR 28 86.117 2.293 -10.932
81 1HG2 THR 28 1HG2 THR 28 84.105 3.405 -8.987
82 2HG2 THR 28 2HG2 THR 28 85.325 3.988 -10.121
83 3HG2 THR 28 3HG2 THR 28 85.508 4.296 -8.394
84 H GLY 29 HN GLY 29 89.386 3.469 -7.345
85 1HA GLY 29 HA2 GLY 29 89.804 5.591 -9.202
86 2HA GLY 29 HA1 GLY 29 89.009 6.176 -7.752
87 H HIS 30 HN HIS 30 91.324 3.565 -7.700
88 HA HIS 30 HA HIS 30 93.045 3.440 -6.056
89 1HB HIS 30 HB2 HIS 30 93.550 3.601 -8.597
90 2HB HIS 30 HB1 HIS 30 94.400 5.053 -8.152
91 HD2 HIS 30 HD2 HIS 30 94.620 1.186 -7.672
92 HE1 HIS 30 HE1 HIS 30 98.342 2.943 -6.712
93 HE2 HIS 30 HE2 HIS 30 97.059 0.766 -6.911
94 H VAL 31 HN VAL 31 95.264 4.878 -5.702
95 HA VAL 31 HA VAL 31 94.574 6.720 -3.728
96 HB VAL 31 HB VAL 31 96.712 5.502 -3.812
97 1HG1 VAL 31 1HG1 VAL 31 98.186 7.449 -5.338
98 2HG1 VAL 31 2HG1 VAL 31 96.956 6.670 -6.332
99 3HG1 VAL 31 3HG1 VAL 31 98.155 5.693 -5.485
100 1HG2 VAL 31 1HG2 VAL 31 98.022 7.227 -2.778
101 2HG2 VAL 31 2HG2 VAL 31 96.331 7.465 -2.341
102 3HG2 VAL 31 3HG2 VAL 31 97.075 8.483 -3.574
103 H THR 32 HN THR 32 94.851 7.419 -7.136
104 HA THR 32 HA THR 32 94.481 10.234 -6.434
105 HB THR 32 HB THR 32 95.974 10.995 -8.067
106 HG1 THR 32 HG1 THR 32 96.896 9.475 -9.613
107 1HG2 THR 32 1HG2 THR 32 98.103 9.910 -7.766
108 2HG2 THR 32 2HG2 THR 32 97.312 8.475 -7.117
109 3HG2 THR 32 3HG2 THR 32 97.246 9.997 -6.227
110 H GLY 33 HN GLY 33 93.005 7.633 -7.613
111 1HA GLY 33 HA2 GLY 33 91.163 7.330 -8.949
112 2HA GLY 33 HA1 GLY 33 91.035 9.075 -8.983
113 H LEU 34 HN LEU 34 94.022 7.784 -9.917
114 HA LEU 34 HA LEU 34 93.337 8.252 -12.729
115 1HB LEU 34 HB2 LEU 34 96.073 8.617 -11.567
116 2HB LEU 34 HB1 LEU 34 95.483 9.135 -13.143
117 HG LEU 34 HG LEU 34 94.267 10.140 -10.632
118 1HD1 LEU 34 1HD1 LEU 34 96.023 11.419 -10.126
119 2HD1 LEU 34 2HD1 LEU 34 96.050 12.076 -11.762
120 3HD1 LEU 34 3HD1 LEU 34 96.943 10.602 -11.388
121 1HD2 LEU 34 1HD2 LEU 34 92.895 10.756 -12.355
122 2HD2 LEU 34 2HD2 LEU 34 94.225 10.906 -13.503
123 3HD2 LEU 34 3HD2 LEU 34 93.972 12.150 -12.280
124 H TYR 35 HN TYR 35 93.658 5.819 -10.753
125 HA TYR 35 HA TYR 35 95.356 4.265 -12.610
126 1HB TYR 35 HB2 TYR 35 94.683 3.482 -9.788
127 2HB TYR 35 HB1 TYR 35 95.810 2.682 -10.854
128 HD1 TYR 35 HD1 TYR 35 95.368 6.229 -9.809
129 HD2 TYR 35 HD2 TYR 35 97.951 2.875 -10.034
130 HE1 TYR 35 HE1 TYR 35 97.183 7.570 -8.831
131 HE2 TYR 35 HE2 TYR 35 99.782 4.206 -9.080
132 HH TYR 35 HH TYR 35 99.887 6.326 -7.519
133 HA PRO 36 HA PRO 36 91.869 1.747 -13.525
134 1HB PRO 36 HB2 PRO 36 93.181 -0.803 -13.096
135 2HB PRO 36 HB1 PRO 36 92.783 -0.011 -14.620
136 1HG PRO 36 HG2 PRO 36 95.338 -0.348 -13.726
137 2HG PRO 36 HG1 PRO 36 94.841 0.978 -14.793
138 1HD PRO 36 HD2 PRO 36 95.298 0.994 -11.834
139 2HD PRO 36 HD1 PRO 36 95.730 2.218 -13.049
140 H HIS 37 HN HIS 37 91.895 2.531 -10.757
141 HA HIS 37 HA HIS 37 90.502 2.095 -9.006
142 1HB HIS 37 HB2 HIS 37 90.305 -0.810 -9.717
143 2HB HIS 37 HB1 HIS 37 89.161 0.197 -8.850
144 HD2 HIS 37 HD2 HIS 37 88.292 2.415 -10.819
145 HE1 HIS 37 HE1 HIS 37 88.012 -0.592 -13.783
146 HE2 HIS 37 HE2 HIS 37 87.207 1.703 -13.066
147 H HIS 38 HN HIS 38 90.474 0.266 -7.201
148 HA HIS 38 HA HIS 38 93.098 -0.846 -6.731
149 1HB HIS 38 HB2 HIS 38 93.572 0.308 -4.704
150 2HB HIS 38 HB1 HIS 38 93.204 1.536 -5.914
151 HD1 HIS 38 HD1 HIS 38 91.202 2.996 -5.508
152 HD2 HIS 38 HD2 HIS 38 91.574 -0.084 -2.755
153 HE1 HIS 38 HE1 HIS 38 89.406 3.410 -3.731
154 H ARG 39 HN ARG 39 93.150 -2.333 -4.967
155 HA ARG 39 HA ARG 39 90.662 -2.871 -3.588
156 1HB ARG 39 HB2 ARG 39 91.440 -4.376 -5.904
157 2HB ARG 39 HB1 ARG 39 91.511 -5.421 -4.491
158 1HG ARG 39 HG2 ARG 39 89.199 -4.759 -3.930
159 2HG ARG 39 HG1 ARG 39 89.142 -3.811 -5.416
160 1HD ARG 39 HD2 ARG 39 89.782 -6.003 -6.594
161 2HD ARG 39 HD1 ARG 39 89.312 -6.786 -5.085
162 HE ARG 39 HE ARG 39 87.355 -4.978 -6.222
163 1HH1 ARG 39 1HH1 ARG 39 88.473 -8.279 -5.974
164 2HH1 ARG 39 2HH1 ARG 39 86.944 -8.957 -6.421
165 1HH2 ARG 39 1HH2 ARG 39 85.351 -5.871 -6.809
166 2HH2 ARG 39 2HH2 ARG 39 85.173 -7.592 -6.897
167 H SER 40 HN SER 40 93.162 -1.900 -2.701
168 HA SER 40 HA SER 40 93.638 -3.722 -0.587
169 1HB SER 40 HB2 SER 40 95.853 -4.476 -1.070
170 2HB SER 40 HB1 SER 40 94.838 -4.856 -2.461
171 HG SER 40 HG SER 40 95.713 -3.112 -3.547
172 H LEU 41 HN LEU 41 93.336 -0.696 -1.237
173 HA LEU 41 HA LEU 41 93.912 1.158 -0.050
174 1HB LEU 41 HB2 LEU 41 96.106 -0.354 1.330
175 2HB LEU 41 HB1 LEU 41 95.231 1.058 1.890
176 HG LEU 41 HG LEU 41 93.296 -0.960 1.528
177 1HD1 LEU 41 1HD1 LEU 41 95.854 -2.106 2.152
178 2HD1 LEU 41 2HD1 LEU 41 94.300 -2.904 1.909
179 3HD1 LEU 41 3HD1 LEU 41 94.752 -2.317 3.510
180 1HD2 LEU 41 1HD2 LEU 41 93.959 0.955 3.378
181 2HD2 LEU 41 2HD2 LEU 41 94.224 -0.544 4.265
182 3HD2 LEU 41 3HD2 LEU 41 92.652 -0.218 3.535
183 H SER 42 HN SER 42 96.570 -0.781 -1.364
184 HA SER 42 HA SER 42 98.670 0.875 -1.531
185 1HB SER 42 HB2 SER 42 97.497 -0.767 -3.787
186 2HB SER 42 HB1 SER 42 99.091 -0.017 -3.853
187 HG SER 42 HG SER 42 98.266 -1.839 -1.841
188 H GLY 43 HN GLY 43 95.657 1.226 -3.265
189 1HA GLY 43 HA2 GLY 43 96.584 3.767 -4.381
190 2HA GLY 43 HA1 GLY 43 95.274 2.803 -5.034
191 H CYS 44 HN CYS 44 93.302 2.851 -4.122
192 HA CYS 44 HA CYS 44 91.480 3.905 -3.196
193 1HB CYS 44 HB2 CYS 44 92.694 2.648 -1.248
194 2HB CYS 44 HB1 CYS 44 93.035 4.276 -0.669
195 HA PRO 45 HA PRO 45 92.602 8.276 -3.606
196 1HB PRO 45 HB2 PRO 45 90.348 9.114 -4.748
197 2HB PRO 45 HB1 PRO 45 91.503 8.126 -5.644
198 1HG PRO 45 HG2 PRO 45 88.932 7.336 -4.344
199 2HG PRO 45 HG1 PRO 45 89.602 6.810 -5.894
200 1HD PRO 45 HD2 PRO 45 89.746 5.372 -3.524
201 2HD PRO 45 HD1 PRO 45 90.814 5.139 -4.921
202 H HIS 46 HN HIS 46 90.961 6.952 -1.220
203 HA HIS 46 HA HIS 46 89.496 9.375 -0.488
204 1HB HIS 46 HB2 HIS 46 89.294 6.716 0.895
205 2HB HIS 46 HB1 HIS 46 88.104 8.007 0.797
206 HD2 HIS 46 HD2 HIS 46 88.570 4.676 -0.627
207 HE1 HIS 46 HE1 HIS 46 86.677 6.832 -3.704
208 HE2 HIS 46 HE2 HIS 46 87.493 4.560 -2.968
209 H LYS 47 HN LYS 47 90.775 6.990 1.827
210 HA LYS 47 HA LYS 47 92.425 7.133 3.388
211 1HB LYS 47 HB2 LYS 47 93.375 8.793 1.360
212 2HB LYS 47 HB1 LYS 47 93.508 9.757 2.822
213 1HG LYS 47 HG2 LYS 47 94.698 7.810 3.869
214 2HG LYS 47 HG1 LYS 47 94.731 7.072 2.267
215 1HD LYS 47 HD2 LYS 47 96.452 8.342 1.630
216 2HD LYS 47 HD1 LYS 47 95.651 9.814 2.184
217 1HE LYS 47 HE2 LYS 47 96.431 9.431 4.441
218 2HE LYS 47 HE1 LYS 47 97.139 7.889 3.965
219 1HZ LYS 47 HZ1 LYS 47 98.983 9.126 3.743
220 2HZ LYS 47 HZ2 LYS 47 98.137 10.580 3.578
221 3HZ LYS 47 HZ3 LYS 47 98.321 9.555 2.246
222 H ASP 48 HN ASP 48 90.196 7.533 4.532
223 HA ASP 48 HA ASP 48 90.747 9.737 6.354
224 1HB ASP 48 HB2 ASP 48 88.968 10.340 4.434
225 2HB ASP 48 HB1 ASP 48 87.888 9.576 5.589
226 H ARG 49 HN ARG 49 90.790 6.814 6.253
227 HA ARG 49 HA ARG 49 90.005 4.955 7.349
228 1HB ARG 49 HB2 ARG 49 90.363 5.136 9.755
229 2HB ARG 49 HB1 ARG 49 91.645 5.928 8.852
230 1HG ARG 49 HG2 ARG 49 90.163 8.058 9.252
231 2HG ARG 49 HG1 ARG 49 89.533 7.098 10.588
232 1HD ARG 49 HD2 ARG 49 91.303 7.682 11.795
233 2HD ARG 49 HD1 ARG 49 92.331 6.818 10.651
234 HE ARG 49 HE ARG 49 91.591 9.555 9.976
235 1HH1 ARG 49 1HH1 ARG 49 94.013 7.367 11.228
236 2HH1 ARG 49 2HH1 ARG 49 95.318 8.473 10.974
237 1HH2 ARG 49 1HH2 ARG 49 93.312 11.008 9.650
238 2HH2 ARG 49 2HH2 ARG 49 94.921 10.538 10.082
239 H VAL 50 HN VAL 50 87.770 6.158 6.311
240 HA VAL 50 HA VAL 50 85.816 5.457 8.382
241 HB VAL 50 HB VAL 50 84.278 7.249 7.459
242 1HG1 VAL 50 1HG1 VAL 50 86.542 8.680 8.698
243 2HG1 VAL 50 2HG1 VAL 50 85.940 7.269 9.566
244 3HG1 VAL 50 3HG1 VAL 50 84.847 8.598 9.180
245 1HG2 VAL 50 1HG2 VAL 50 84.991 8.860 6.040
246 2HG2 VAL 50 2HG2 VAL 50 86.083 7.577 5.524
247 3HG2 VAL 50 3HG2 VAL 50 86.647 8.812 6.647
248 HA PRO 51 HA PRO 51 83.577 2.696 5.849
249 1HB PRO 51 HB2 PRO 51 81.455 4.717 5.493
250 2HB PRO 51 HB1 PRO 51 81.360 3.085 6.151
251 1HG PRO 51 HG2 PRO 51 81.574 5.557 7.588
252 2HG PRO 51 HG1 PRO 51 81.466 3.917 8.244
253 1HD PRO 51 HD2 PRO 51 83.686 5.554 8.449
254 2HD PRO 51 HD1 PRO 51 83.726 3.782 8.568
255 HA PRO 52 HA PRO 52 83.284 5.133 1.833
256 1HB PRO 52 HB2 PRO 52 83.097 7.781 1.738
257 2HB PRO 52 HB1 PRO 52 81.729 6.784 2.242
258 1HG PRO 52 HG2 PRO 52 83.558 8.455 3.879
259 2HG PRO 52 HG1 PRO 52 81.849 8.072 4.137
260 1HD PRO 52 HD2 PRO 52 84.086 6.835 5.355
261 2HD PRO 52 HD1 PRO 52 82.394 6.330 5.473
262 H GLU 53 HN GLU 53 85.899 4.754 3.197
263 HA GLU 53 HA GLU 53 87.437 6.315 1.348
264 1HB GLU 53 HB2 GLU 53 88.077 6.313 4.284
265 2HB GLU 53 HB1 GLU 53 89.073 7.031 3.027
266 1HG GLU 53 HG2 GLU 53 86.258 7.929 3.257
267 2HG GLU 53 HG1 GLU 53 87.395 8.443 4.482
268 H ILE 54 HN ILE 54 89.138 4.858 3.925
269 HA ILE 54 HA ILE 54 89.815 2.528 2.247
270 HB ILE 54 HB ILE 54 91.925 3.595 4.039
271 1HG1 ILE 54 2HG1 ILE 54 91.038 5.005 1.525
272 2HG1 ILE 54 1HG1 ILE 54 91.381 5.680 3.107
273 1HG2 ILE 54 1HG2 ILE 54 93.397 2.682 2.424
274 2HG2 ILE 54 2HG2 ILE 54 92.114 2.552 1.226
275 3HG2 ILE 54 3HG2 ILE 54 92.091 1.520 2.651
276 1HD1 ILE 54 1HD1 ILE 54 93.455 4.483 1.290
277 2HD1 ILE 54 2HD1 ILE 54 93.734 5.345 2.802
278 3HD1 ILE 54 3HD1 ILE 54 93.088 6.204 1.405
279 H LEU 55 HN LEU 55 88.401 3.452 4.990
280 HA LEU 55 HA LEU 55 89.561 2.077 7.070
281 1HB LEU 55 HB2 LEU 55 87.633 3.628 7.246
282 2HB LEU 55 HB1 LEU 55 86.602 2.357 6.615
283 HG LEU 55 HG LEU 55 87.236 0.953 8.593
284 1HD1 LEU 55 1HD1 LEU 55 88.647 1.639 10.199
285 2HD1 LEU 55 2HD1 LEU 55 88.102 3.314 10.110
286 3HD1 LEU 55 3HD1 LEU 55 89.270 2.703 8.938
287 1HD2 LEU 55 1HD2 LEU 55 85.129 1.936 8.742
288 2HD2 LEU 55 2HD2 LEU 55 85.794 3.563 8.892
289 3HD2 LEU 55 3HD2 LEU 55 85.925 2.430 10.237
290 H ALA 56 HN ALA 56 88.162 0.690 4.320
291 HA ALA 56 HA ALA 56 86.911 -1.576 4.814
292 1HB ALA 56 HB1 ALA 56 87.458 -1.611 2.642
293 2HB ALA 56 HB2 ALA 56 88.794 -2.626 3.173
294 3HB ALA 56 HB3 ALA 56 89.043 -0.899 2.923
295 H MET 57 HN MET 57 90.466 -1.580 4.960
296 HA MET 57 HA MET 57 90.653 -4.134 6.116
297 1HB MET 57 HB2 MET 57 92.550 -1.828 5.844
298 2HB MET 57 HB1 MET 57 93.007 -3.246 6.779
299 1HG MET 57 HG2 MET 57 92.008 -4.277 4.404
300 2HG MET 57 HG1 MET 57 92.933 -2.859 3.913
301 1HE MET 57 HE1 MET 57 94.000 -6.676 5.870
302 2HE MET 57 HE2 MET 57 94.071 -6.775 4.111
303 3HE MET 57 HE3 MET 57 92.609 -6.187 4.903
304 H HIS 58 HN HIS 58 91.079 -4.821 8.206
305 HA HIS 58 HA HIS 58 89.929 -3.154 10.279
306 1HB HIS 58 HB2 HIS 58 90.310 -5.986 9.832
307 2HB HIS 58 HB1 HIS 58 90.889 -5.533 11.431
308 HD2 HIS 58 HD2 HIS 58 88.867 -4.169 13.019
309 HE1 HIS 58 HE1 HIS 58 85.747 -6.050 10.865
310 HE2 HIS 58 HE2 HIS 58 86.378 -4.897 13.034
311 H GLU 59 HN GLU 59 90.983 -2.363 12.070
312 HA GLU 59 HA GLU 59 92.700 -1.714 13.427
313 1HB GLU 59 HB2 GLU 59 93.406 -4.176 13.134
314 2HB GLU 59 HB1 GLU 59 94.565 -3.566 11.961
315 1HG GLU 59 HG2 GLU 59 94.872 -1.956 14.224
316 2HG GLU 59 HG1 GLU 59 94.708 -3.602 14.829
317 H ASN 60 HN ASN 60 94.141 -2.418 10.231
318 HA ASN 60 HA ASN 60 95.745 -0.076 10.242
319 1HB ASN 60 HB2 ASN 60 96.217 -2.161 8.914
320 2HB ASN 60 HB1 ASN 60 94.905 -1.700 7.833
321 1HD2 ASN 60 1HD2 ASN 60 95.338 -0.388 6.196
322 2HD2 ASN 60 2HD2 ASN 60 96.823 0.485 5.974
323 H VAL 61 HN VAL 61 94.234 1.571 10.753
324 HA VAL 61 HA VAL 61 92.093 2.177 8.912
325 HB VAL 61 HB VAL 61 91.764 4.181 10.353
326 1HG1 VAL 61 1HG1 VAL 61 91.977 1.700 12.032
327 2HG1 VAL 61 2HG1 VAL 61 90.751 1.896 10.779
328 3HG1 VAL 61 3HG1 VAL 61 90.795 3.005 12.149
329 1HG2 VAL 61 1HG2 VAL 61 94.401 3.491 11.228
330 2HG2 VAL 61 2HG2 VAL 61 93.298 3.493 12.603
331 3HG2 VAL 61 3HG2 VAL 61 93.448 4.929 11.589
332 H LEU 62 HN LEU 62 92.032 3.804 7.396
333 HA LEU 62 HA LEU 62 92.773 5.424 5.975
334 1HB LEU 62 HB2 LEU 62 93.472 6.428 8.297
335 2HB LEU 62 HB1 LEU 62 95.094 6.045 7.753
336 HG LEU 62 HG LEU 62 93.679 7.461 5.680
337 1HD1 LEU 62 1HD1 LEU 62 92.821 9.282 6.672
338 2HD1 LEU 62 2HD1 LEU 62 94.084 9.332 7.901
339 3HD1 LEU 62 3HD1 LEU 62 92.709 8.245 8.094
340 1HD2 LEU 62 1HD2 LEU 62 96.182 7.787 7.281
341 2HD2 LEU 62 2HD2 LEU 62 95.626 9.092 6.231
342 3HD2 LEU 62 3HD2 LEU 62 95.984 7.505 5.551
343 H LYS 63 HN LYS 63 95.786 4.215 7.455
344 HA LYS 63 HA LYS 63 96.518 2.625 5.233
345 1HB LYS 63 HB2 LYS 63 97.156 5.445 5.074
346 2HB LYS 63 HB1 LYS 63 98.619 4.470 5.069
347 1HG LYS 63 HG2 LYS 63 96.513 3.471 3.304
348 2HG LYS 63 HG1 LYS 63 97.123 5.070 2.879
349 1HD LYS 63 HD2 LYS 63 99.103 2.956 3.542
350 2HD LYS 63 HD1 LYS 63 98.267 2.846 1.991
351 1HE LYS 63 HE2 LYS 63 100.311 4.060 1.672
352 2HE LYS 63 HE1 LYS 63 98.960 5.183 1.516
353 1HZ LYS 63 HZ1 LYS 63 100.627 4.836 3.950
354 2HZ LYS 63 HZ2 LYS 63 99.361 5.940 3.764
355 3HZ LYS 63 HZ3 LYS 63 100.768 6.106 2.841
Start of MODEL 13
1 H ARG 16 HN ARG 16 93.467 -12.274 -4.534
2 HA ARG 16 HA ARG 16 91.372 -12.181 -3.644
3 1HB ARG 16 HB2 ARG 16 92.614 -10.971 -1.782
4 2HB ARG 16 HB1 ARG 16 92.087 -9.470 -2.528
5 1HG ARG 16 HG2 ARG 16 90.398 -9.693 -1.054
6 2HG ARG 16 HG1 ARG 16 89.723 -10.698 -2.336
7 1HD ARG 16 HD2 ARG 16 90.245 -12.672 -1.240
8 2HD ARG 16 HD1 ARG 16 91.493 -11.908 -0.253
9 HE ARG 16 HE ARG 16 89.106 -10.729 0.474
10 1HH1 ARG 16 1HH1 ARG 16 90.456 -13.946 0.488
11 2HH1 ARG 16 2HH1 ARG 16 89.545 -14.456 1.870
12 1HH2 ARG 16 1HH2 ARG 16 87.908 -11.395 2.288
13 2HH2 ARG 16 2HH2 ARG 16 88.098 -13.006 2.893
14 H GLU 17 HN GLU 17 89.306 -11.289 -4.101
15 HA GLU 17 HA GLU 17 89.196 -9.883 -6.585
16 1HB GLU 17 HB2 GLU 17 87.489 -11.559 -5.121
17 2HB GLU 17 HB1 GLU 17 86.650 -10.015 -5.217
18 1HG GLU 17 HG2 GLU 17 86.347 -10.160 -7.455
19 2HG GLU 17 HG1 GLU 17 87.850 -11.043 -7.717
20 H SER 18 HN SER 18 88.707 -9.046 -3.215
21 HA SER 18 HA SER 18 88.942 -6.248 -3.816
22 1HB SER 18 HB2 SER 18 86.747 -5.715 -2.595
23 2HB SER 18 HB1 SER 18 86.621 -6.299 -4.254
24 HG SER 18 HG SER 18 86.621 -8.343 -2.461
25 H LYS 19 HN LYS 19 90.290 -5.557 -2.291
26 HA LYS 19 HA LYS 19 90.239 -6.818 0.340
27 1HB LYS 19 HB2 LYS 19 92.308 -5.032 -0.898
28 2HB LYS 19 HB1 LYS 19 92.452 -5.839 0.655
29 1HG LYS 19 HG2 LYS 19 92.115 -8.009 -0.685
30 2HG LYS 19 HG1 LYS 19 92.510 -7.018 -2.093
31 1HD LYS 19 HD2 LYS 19 94.487 -6.289 -0.424
32 2HD LYS 19 HD1 LYS 19 94.217 -7.946 0.119
33 1HE LYS 19 HE2 LYS 19 94.861 -8.855 -1.894
34 2HE LYS 19 HE1 LYS 19 94.434 -7.406 -2.804
35 1HZ LYS 19 HZ1 LYS 19 96.423 -6.521 -1.221
36 2HZ LYS 19 HZ2 LYS 19 96.627 -7.053 -2.814
37 3HZ LYS 19 HZ3 LYS 19 96.922 -8.109 -1.525
38 H CYS 20 HN CYS 20 91.110 -3.604 -0.705
39 HA CYS 20 HA CYS 20 90.413 -2.266 1.622
40 1HB CYS 20 HB2 CYS 20 91.821 -1.294 -0.171
41 2HB CYS 20 HB1 CYS 20 90.382 -1.111 -1.168
42 HA PRO 21 HA PRO 21 86.229 -1.225 -0.851
43 1HB PRO 21 HB2 PRO 21 85.837 -4.097 -1.571
44 2HB PRO 21 HB1 PRO 21 85.275 -2.644 -2.410
45 1HG PRO 21 HG2 PRO 21 87.385 -3.982 -3.319
46 2HG PRO 21 HG1 PRO 21 87.374 -2.208 -3.327
47 1HD PRO 21 HD2 PRO 21 88.805 -4.091 -1.516
48 2HD PRO 21 HD1 PRO 21 89.306 -2.497 -2.102
49 H THR 22 HN THR 22 86.375 -1.138 1.601
50 HA THR 22 HA THR 22 85.103 -3.331 2.999
51 HB THR 22 HB THR 22 86.831 -1.287 3.710
52 HG1 THR 22 HG1 THR 22 86.341 -3.407 4.700
53 1HG2 THR 22 1HG2 THR 22 84.192 -0.701 5.029
54 2HG2 THR 22 2HG2 THR 22 85.096 0.370 3.962
55 3HG2 THR 22 3HG2 THR 22 85.759 -0.074 5.533
56 HA PRO 23 HA PRO 23 80.780 -2.325 3.177
57 1HB PRO 23 HB2 PRO 23 80.736 -0.659 5.539
58 2HB PRO 23 HB1 PRO 23 80.109 -2.292 5.331
59 1HG PRO 23 HG2 PRO 23 82.659 -1.405 6.487
60 2HG PRO 23 HG1 PRO 23 81.811 -2.948 6.684
61 1HD PRO 23 HD2 PRO 23 84.097 -2.728 5.274
62 2HD PRO 23 HD1 PRO 23 82.827 -3.879 4.823
63 H GLY 24 HN GLY 24 83.064 0.274 3.727
64 1HA GLY 24 HA2 GLY 24 81.173 2.243 2.689
65 2HA GLY 24 HA1 GLY 24 82.717 2.592 3.447
66 H CYS 25 HN CYS 25 84.691 1.977 2.184
67 HA CYS 25 HA CYS 25 84.922 3.272 -0.155
68 1HB CYS 25 HB2 CYS 25 86.846 2.213 1.096
69 2HB CYS 25 HB1 CYS 25 86.416 0.687 0.313
70 H ASP 26 HN ASP 26 85.141 2.699 -2.394
71 HA ASP 26 HA ASP 26 83.233 0.599 -3.173
72 1HB ASP 26 HB2 ASP 26 82.845 3.066 -3.802
73 2HB ASP 26 HB1 ASP 26 84.176 2.854 -4.932
74 H GLY 27 HN GLY 27 86.438 1.936 -3.780
75 1HA GLY 27 HA2 GLY 27 88.322 0.671 -4.404
76 2HA GLY 27 HA1 GLY 27 87.255 -0.616 -4.911
77 H THR 28 HN THR 28 87.710 2.746 -5.737
78 HA THR 28 HA THR 28 88.422 2.146 -8.417
79 HB THR 28 HB THR 28 85.691 2.736 -7.677
80 HG1 THR 28 HG1 THR 28 86.337 2.352 -10.332
81 1HG2 THR 28 1HG2 THR 28 86.209 5.036 -8.277
82 2HG2 THR 28 2HG2 THR 28 85.123 4.290 -9.450
83 3HG2 THR 28 3HG2 THR 28 86.833 4.495 -9.834
84 H GLY 29 HN GLY 29 89.650 3.738 -9.292
85 1HA GLY 29 HA2 GLY 29 90.406 5.922 -9.647
86 2HA GLY 29 HA1 GLY 29 89.468 6.461 -8.264
87 H HIS 30 HN HIS 30 91.529 3.708 -7.901
88 HA HIS 30 HA HIS 30 93.088 3.456 -6.137
89 1HB HIS 30 HB2 HIS 30 93.883 3.662 -8.610
90 2HB HIS 30 HB1 HIS 30 94.745 5.048 -8.028
91 HD2 HIS 30 HD2 HIS 30 94.579 1.189 -7.317
92 HE1 HIS 30 HE1 HIS 30 98.475 2.618 -6.544
93 HE2 HIS 30 HE2 HIS 30 96.957 0.594 -6.486
94 H VAL 31 HN VAL 31 95.407 5.040 -5.756
95 HA VAL 31 HA VAL 31 94.435 6.875 -3.808
96 HB VAL 31 HB VAL 31 96.526 5.741 -3.403
97 1HG1 VAL 31 1HG1 VAL 31 98.132 7.290 -5.293
98 2HG1 VAL 31 2HG1 VAL 31 97.054 6.114 -6.043
99 3HG1 VAL 31 3HG1 VAL 31 98.232 5.589 -4.840
100 1HG2 VAL 31 1HG2 VAL 31 96.160 8.006 -2.445
101 2HG2 VAL 31 2HG2 VAL 31 97.098 8.669 -3.784
102 3HG2 VAL 31 3HG2 VAL 31 97.858 7.570 -2.635
103 H THR 32 HN THR 32 95.669 7.334 -7.090
104 HA THR 32 HA THR 32 95.174 10.214 -6.749
105 HB THR 32 HB THR 32 96.903 10.678 -8.279
106 HG1 THR 32 HG1 THR 32 97.894 8.537 -9.218
107 1HG2 THR 32 1HG2 THR 32 98.137 8.240 -7.097
108 2HG2 THR 32 2HG2 THR 32 97.663 9.581 -6.049
109 3HG2 THR 32 3HG2 THR 32 98.828 9.842 -7.346
110 H GLY 33 HN GLY 33 93.694 7.579 -7.904
111 1HA GLY 33 HA2 GLY 33 92.002 7.280 -9.425
112 2HA GLY 33 HA1 GLY 33 92.035 9.015 -9.658
113 H LEU 34 HN LEU 34 95.047 7.570 -10.061
114 HA LEU 34 HA LEU 34 94.803 7.882 -12.951
115 1HB LEU 34 HB2 LEU 34 97.314 7.687 -11.315
116 2HB LEU 34 HB1 LEU 34 97.189 8.118 -13.017
117 HG LEU 34 HG LEU 34 95.848 9.675 -10.860
118 1HD1 LEU 34 1HD1 LEU 34 98.497 9.454 -10.835
119 2HD1 LEU 34 2HD1 LEU 34 97.692 10.993 -10.497
120 3HD1 LEU 34 3HD1 LEU 34 98.362 10.677 -12.104
121 1HD2 LEU 34 1HD2 LEU 34 96.620 11.216 -13.128
122 2HD2 LEU 34 2HD2 LEU 34 95.000 10.851 -12.535
123 3HD2 LEU 34 3HD2 LEU 34 95.780 9.768 -13.685
124 H TYR 35 HN TYR 35 94.472 5.532 -10.767
125 HA TYR 35 HA TYR 35 95.791 3.527 -12.504
126 1HB TYR 35 HB2 TYR 35 95.046 3.198 -9.609
127 2HB TYR 35 HB1 TYR 35 95.915 2.038 -10.587
128 HD1 TYR 35 HD1 TYR 35 96.323 5.695 -9.963
129 HD2 TYR 35 HD2 TYR 35 98.099 1.846 -9.820
130 HE1 TYR 35 HE1 TYR 35 98.434 6.704 -9.221
131 HE2 TYR 35 HE2 TYR 35 100.219 2.843 -9.095
132 HH TYR 35 HH TYR 35 100.516 5.818 -7.846
133 HA PRO 36 HA PRO 36 91.772 1.918 -13.330
134 1HB PRO 36 HB2 PRO 36 92.180 -0.758 -13.497
135 2HB PRO 36 HB1 PRO 36 92.744 0.369 -14.737
136 1HG PRO 36 HG2 PRO 36 94.266 -0.922 -12.510
137 2HG PRO 36 HG1 PRO 36 94.760 -0.642 -14.189
138 1HD PRO 36 HD2 PRO 36 95.552 0.938 -12.112
139 2HD PRO 36 HD1 PRO 36 95.382 1.530 -13.776
140 H HIS 37 HN HIS 37 92.097 2.550 -10.619
141 HA HIS 37 HA HIS 37 90.756 2.234 -8.782
142 1HB HIS 37 HB2 HIS 37 90.407 -0.693 -9.315
143 2HB HIS 37 HB1 HIS 37 89.372 0.403 -8.417
144 HD2 HIS 37 HD2 HIS 37 88.694 2.590 -10.689
145 HE1 HIS 37 HE1 HIS 37 87.496 -0.758 -12.983
146 HE2 HIS 37 HE2 HIS 37 87.463 1.771 -12.818
147 H HIS 38 HN HIS 38 90.920 0.522 -6.876
148 HA HIS 38 HA HIS 38 93.729 -0.319 -6.737
149 1HB HIS 38 HB2 HIS 38 93.805 0.437 -4.372
150 2HB HIS 38 HB1 HIS 38 93.634 1.749 -5.527
151 HD1 HIS 38 HD1 HIS 38 91.407 3.094 -5.470
152 HD2 HIS 38 HD2 HIS 38 91.687 0.057 -2.653
153 HE1 HIS 38 HE1 HIS 38 89.498 3.469 -3.819
154 H ARG 39 HN ARG 39 90.638 -0.551 -4.971
155 HA ARG 39 HA ARG 39 89.813 -2.246 -3.674
156 1HB ARG 39 HB2 ARG 39 90.701 -3.741 -6.144
157 2HB ARG 39 HB1 ARG 39 89.613 -4.394 -4.926
158 1HG ARG 39 HG2 ARG 39 88.050 -2.520 -5.394
159 2HG ARG 39 HG1 ARG 39 89.118 -2.016 -6.707
160 1HD ARG 39 HD2 ARG 39 88.822 -4.251 -7.737
161 2HD ARG 39 HD1 ARG 39 87.663 -4.650 -6.467
162 HE ARG 39 HE ARG 39 87.183 -3.071 -8.791
163 1HH1 ARG 39 1HH1 ARG 39 86.273 -3.460 -5.445
164 2HH1 ARG 39 2HH1 ARG 39 84.704 -2.764 -5.660
165 1HH2 ARG 39 1HH2 ARG 39 85.121 -2.149 -9.076
166 2HH2 ARG 39 2HH2 ARG 39 84.050 -2.013 -7.722
167 H SER 40 HN SER 40 92.622 -1.604 -3.206
168 HA SER 40 HA SER 40 93.332 -4.001 -1.757
169 1HB SER 40 HB2 SER 40 94.345 -4.507 -3.871
170 2HB SER 40 HB1 SER 40 95.109 -2.918 -3.936
171 HG SER 40 HG SER 40 96.241 -4.999 -3.052
172 H LEU 41 HN LEU 41 93.183 -0.693 -1.850
173 HA LEU 41 HA LEU 41 93.711 0.805 -0.227
174 1HB LEU 41 HB2 LEU 41 95.710 -1.074 0.976
175 2HB LEU 41 HB1 LEU 41 94.825 0.231 1.742
176 HG LEU 41 HG LEU 41 93.096 -1.886 0.689
177 1HD1 LEU 41 1HD1 LEU 41 95.265 -2.521 2.642
178 2HD1 LEU 41 2HD1 LEU 41 94.646 -3.482 1.298
179 3HD1 LEU 41 3HD1 LEU 41 93.693 -3.311 2.771
180 1HD2 LEU 41 1HD2 LEU 41 92.921 -1.427 3.512
181 2HD2 LEU 41 2HD2 LEU 41 91.763 -1.035 2.244
182 3HD2 LEU 41 3HD2 LEU 41 93.033 0.113 2.661
183 H SER 42 HN SER 42 96.330 -1.006 -1.767
184 HA SER 42 HA SER 42 98.522 0.530 -1.425
185 1HB SER 42 HB2 SER 42 99.185 -0.011 -3.755
186 2HB SER 42 HB1 SER 42 98.533 -1.410 -2.903
187 HG SER 42 HG SER 42 97.040 -1.524 -4.363
188 H GLY 43 HN GLY 43 95.724 1.334 -3.377
189 1HA GLY 43 HA2 GLY 43 96.849 3.988 -3.893
190 2HA GLY 43 HA1 GLY 43 95.611 3.221 -4.863
191 H CYS 44 HN CYS 44 93.531 3.141 -4.159
192 HA CYS 44 HA CYS 44 91.632 3.934 -3.155
193 1HB CYS 44 HB2 CYS 44 92.830 2.729 -1.206
194 2HB CYS 44 HB1 CYS 44 93.188 4.352 -0.628
195 HA PRO 45 HA PRO 45 92.515 8.364 -3.451
196 1HB PRO 45 HB2 PRO 45 90.346 9.059 -4.830
197 2HB PRO 45 HB1 PRO 45 91.646 8.137 -5.589
198 1HG PRO 45 HG2 PRO 45 88.971 7.227 -4.656
199 2HG PRO 45 HG1 PRO 45 89.937 6.655 -6.023
200 1HD PRO 45 HD2 PRO 45 89.734 5.453 -3.472
201 2HD PRO 45 HD1 PRO 45 90.885 5.034 -4.755
202 H HIS 46 HN HIS 46 90.957 7.074 -1.105
203 HA HIS 46 HA HIS 46 89.209 9.385 -0.591
204 1HB HIS 46 HB2 HIS 46 88.979 6.762 0.827
205 2HB HIS 46 HB1 HIS 46 87.764 8.011 0.591
206 HD2 HIS 46 HD2 HIS 46 88.606 4.665 -0.733
207 HE1 HIS 46 HE1 HIS 46 86.447 6.571 -3.812
208 HE2 HIS 46 HE2 HIS 46 87.242 4.346 -2.907
209 H LYS 47 HN LYS 47 90.694 6.966 1.609
210 HA LYS 47 HA LYS 47 91.796 7.193 3.565
211 1HB LYS 47 HB2 LYS 47 93.670 8.757 3.626
212 2HB LYS 47 HB1 LYS 47 93.605 7.900 2.099
213 1HG LYS 47 HG2 LYS 47 92.865 9.799 0.941
214 2HG LYS 47 HG1 LYS 47 92.464 10.653 2.431
215 1HD LYS 47 HD2 LYS 47 94.470 11.619 2.234
216 2HD LYS 47 HD1 LYS 47 95.141 10.065 2.738
217 1HE LYS 47 HE2 LYS 47 94.710 9.700 0.049
218 2HE LYS 47 HE1 LYS 47 95.208 11.388 0.135
219 1HZ LYS 47 HZ1 LYS 47 97.039 9.714 -0.145
220 2HZ LYS 47 HZ2 LYS 47 96.731 9.210 1.441
221 3HZ LYS 47 HZ3 LYS 47 97.235 10.796 1.140
222 H ASP 48 HN ASP 48 89.506 7.773 4.304
223 HA ASP 48 HA ASP 48 89.763 10.299 5.806
224 1HB ASP 48 HB2 ASP 48 88.155 10.426 3.777
225 2HB ASP 48 HB1 ASP 48 87.081 9.453 4.773
226 H ARG 49 HN ARG 49 89.278 7.013 5.873
227 HA ARG 49 HA ARG 49 88.522 5.517 7.408
228 1HB ARG 49 HB2 ARG 49 89.467 5.740 9.495
229 2HB ARG 49 HB1 ARG 49 90.450 6.819 8.523
230 1HG ARG 49 HG2 ARG 49 90.049 8.435 9.975
231 2HG ARG 49 HG1 ARG 49 88.340 8.374 9.556
232 1HD ARG 49 HD2 ARG 49 88.033 6.579 11.227
233 2HD ARG 49 HD1 ARG 49 89.727 6.750 11.681
234 HE ARG 49 HE ARG 49 87.555 8.447 12.450
235 1HH1 ARG 49 1HH1 ARG 49 90.993 8.343 11.854
236 2HH1 ARG 49 2HH1 ARG 49 91.342 9.679 12.900
237 1HH2 ARG 49 1HH2 ARG 49 88.011 10.202 13.830
238 2HH2 ARG 49 2HH2 ARG 49 89.648 10.731 14.028
239 H VAL 50 HN VAL 50 86.750 4.801 8.317
240 HA VAL 50 HA VAL 50 84.816 4.743 9.536
241 HB VAL 50 HB VAL 50 84.550 7.743 9.277
242 1HG1 VAL 50 1HG1 VAL 50 82.635 7.607 10.470
243 2HG1 VAL 50 2HG1 VAL 50 83.166 6.179 11.358
244 3HG1 VAL 50 3HG1 VAL 50 82.560 6.017 9.711
245 1HG2 VAL 50 1HG2 VAL 50 86.073 6.055 11.114
246 2HG2 VAL 50 2HG2 VAL 50 84.984 7.189 11.912
247 3HG2 VAL 50 3HG2 VAL 50 86.206 7.784 10.788
248 HA PRO 51 HA PRO 51 81.971 5.984 5.990
249 1HB PRO 51 HB2 PRO 51 83.054 8.068 4.329
250 2HB PRO 51 HB1 PRO 51 81.619 8.126 5.348
251 1HG PRO 51 HG2 PRO 51 83.923 9.564 5.798
252 2HG PRO 51 HG1 PRO 51 82.721 9.164 7.036
253 1HD PRO 51 HD2 PRO 51 85.359 7.891 6.474
254 2HD PRO 51 HD1 PRO 51 84.542 8.180 8.013
255 HA PRO 52 HA PRO 52 83.723 3.939 2.467
256 1HB PRO 52 HB2 PRO 52 83.033 5.997 0.462
257 2HB PRO 52 HB1 PRO 52 82.498 4.320 0.567
258 1HG PRO 52 HG2 PRO 52 80.834 6.326 1.125
259 2HG PRO 52 HG1 PRO 52 80.796 4.818 2.060
260 1HD PRO 52 HD2 PRO 52 82.038 7.455 2.767
261 2HD PRO 52 HD1 PRO 52 81.076 6.358 3.783
262 H GLU 53 HN GLU 53 85.976 4.056 2.834
263 HA GLU 53 HA GLU 53 87.396 5.704 1.005
264 1HB GLU 53 HB2 GLU 53 87.696 6.106 3.965
265 2HB GLU 53 HB1 GLU 53 88.879 6.671 2.794
266 1HG GLU 53 HG2 GLU 53 87.678 8.568 2.952
267 2HG GLU 53 HG1 GLU 53 86.683 7.768 1.745
268 H ILE 54 HN ILE 54 89.138 4.812 3.774
269 HA ILE 54 HA ILE 54 90.113 2.326 2.537
270 HB ILE 54 HB ILE 54 92.191 3.730 4.028
271 1HG1 ILE 54 2HG1 ILE 54 91.145 5.005 1.500
272 2HG1 ILE 54 1HG1 ILE 54 91.239 5.725 3.090
273 1HG2 ILE 54 1HG2 ILE 54 92.056 1.722 2.207
274 2HG2 ILE 54 2HG2 ILE 54 93.527 2.568 2.679
275 3HG2 ILE 54 3HG2 ILE 54 92.658 3.054 1.227
276 1HD1 ILE 54 1HD1 ILE 54 93.757 4.746 1.881
277 2HD1 ILE 54 2HD1 ILE 54 93.462 6.133 2.926
278 3HD1 ILE 54 3HD1 ILE 54 93.031 6.210 1.220
279 H LEU 55 HN LEU 55 88.459 3.439 4.976
280 HA LEU 55 HA LEU 55 89.651 2.889 7.359
281 1HB LEU 55 HB2 LEU 55 87.344 3.650 7.162
282 2HB LEU 55 HB1 LEU 55 86.868 2.078 6.555
283 HG LEU 55 HG LEU 55 87.740 1.161 8.805
284 1HD1 LEU 55 1HD1 LEU 55 87.044 3.712 10.066
285 2HD1 LEU 55 2HD1 LEU 55 88.572 3.725 9.185
286 3HD1 LEU 55 3HD1 LEU 55 88.307 2.548 10.469
287 1HD2 LEU 55 1HD2 LEU 55 85.567 1.822 9.920
288 2HD2 LEU 55 2HD2 LEU 55 85.433 1.059 8.335
289 3HD2 LEU 55 3HD2 LEU 55 85.244 2.806 8.491
290 H ALA 56 HN ALA 56 88.852 0.625 4.916
291 HA ALA 56 HA ALA 56 88.718 -1.761 6.288
292 1HB ALA 56 HB1 ALA 56 90.206 -2.062 3.828
293 2HB ALA 56 HB2 ALA 56 88.816 -0.997 3.625
294 3HB ALA 56 HB3 ALA 56 88.590 -2.631 4.246
295 H MET 57 HN MET 57 91.598 -0.123 5.013
296 HA MET 57 HA MET 57 93.531 -1.986 5.669
297 1HB MET 57 HB2 MET 57 93.476 0.744 4.872
298 2HB MET 57 HB1 MET 57 94.602 0.603 6.215
299 1HG MET 57 HG2 MET 57 95.242 -1.551 4.626
300 2HG MET 57 HG1 MET 57 94.857 -0.286 3.466
301 1HE MET 57 HE1 MET 57 98.594 -1.231 4.315
302 2HE MET 57 HE2 MET 57 97.173 -2.087 4.913
303 3HE MET 57 HE3 MET 57 98.188 -1.175 6.030
304 H HIS 58 HN HIS 58 93.731 -2.993 7.562
305 HA HIS 58 HA HIS 58 92.978 -1.893 10.053
306 1HB HIS 58 HB2 HIS 58 94.174 -3.886 11.009
307 2HB HIS 58 HB1 HIS 58 92.950 -4.269 9.804
308 HD2 HIS 58 HD2 HIS 58 96.590 -4.957 10.553
309 HE1 HIS 58 HE1 HIS 58 95.917 -6.072 6.526
310 HE2 HIS 58 HE2 HIS 58 97.589 -6.070 8.433
311 H GLU 59 HN GLU 59 94.087 -0.880 11.625
312 HA GLU 59 HA GLU 59 95.695 0.366 12.636
313 1HB GLU 59 HB2 GLU 59 96.718 -1.997 12.637
314 2HB GLU 59 HB1 GLU 59 97.754 -1.401 11.347
315 1HG GLU 59 HG2 GLU 59 97.806 0.495 13.454
316 2HG GLU 59 HG1 GLU 59 98.061 -1.107 14.147
317 H ASN 60 HN ASN 60 94.925 1.002 9.810
318 HA ASN 60 HA ASN 60 96.943 3.011 9.385
319 1HB ASN 60 HB2 ASN 60 96.658 0.647 7.578
320 2HB ASN 60 HB1 ASN 60 97.019 2.213 6.862
321 1HD2 ASN 60 1HD2 ASN 60 98.153 -0.297 8.998
322 2HD2 ASN 60 2HD2 ASN 60 99.821 0.186 9.000
323 H VAL 61 HN VAL 61 94.393 3.416 10.114
324 HA VAL 61 HA VAL 61 92.479 3.643 8.088
325 HB VAL 61 HB VAL 61 91.335 5.240 9.566
326 1HG1 VAL 61 1HG1 VAL 61 91.418 3.671 11.658
327 2HG1 VAL 61 2HG1 VAL 61 92.406 2.662 10.604
328 3HG1 VAL 61 3HG1 VAL 61 90.763 3.087 10.129
329 1HG2 VAL 61 1HG2 VAL 61 94.011 5.368 10.796
330 2HG2 VAL 61 2HG2 VAL 61 92.646 5.337 11.913
331 3HG2 VAL 61 3HG2 VAL 61 92.752 6.598 10.684
332 H LEU 62 HN LEU 62 91.629 5.514 7.055
333 HA LEU 62 HA LEU 62 91.930 7.155 5.509
334 1HB LEU 62 HB2 LEU 62 92.083 9.261 6.459
335 2HB LEU 62 HB1 LEU 62 91.522 8.260 7.781
336 HG LEU 62 HG LEU 62 94.319 8.238 7.992
337 1HD1 LEU 62 1HD1 LEU 62 93.721 10.430 6.458
338 2HD1 LEU 62 2HD1 LEU 62 95.160 10.232 7.458
339 3HD1 LEU 62 3HD1 LEU 62 93.759 11.095 8.091
340 1HD2 LEU 62 1HD2 LEU 62 92.030 8.894 9.549
341 2HD2 LEU 62 2HD2 LEU 62 93.230 10.167 9.763
342 3HD2 LEU 62 3HD2 LEU 62 93.658 8.489 10.096
343 H LYS 63 HN LYS 63 94.030 5.325 5.302
344 HA LYS 63 HA LYS 63 95.854 6.771 3.749
345 1HB LYS 63 HB2 LYS 63 96.523 7.335 6.223
346 2HB LYS 63 HB1 LYS 63 97.264 5.741 6.180
347 1HG LYS 63 HG2 LYS 63 98.884 7.466 5.653
348 2HG LYS 63 HG1 LYS 63 98.616 6.415 4.261
349 1HD LYS 63 HD2 LYS 63 97.227 8.056 3.207
350 2HD LYS 63 HD1 LYS 63 97.236 9.066 4.653
351 1HE LYS 63 HE2 LYS 63 99.844 8.364 3.410
352 2HE LYS 63 HE1 LYS 63 98.829 9.555 2.597
353 1HZ LYS 63 HZ1 LYS 63 99.198 11.075 4.186
354 2HZ LYS 63 HZ2 LYS 63 100.566 10.145 4.536
355 3HZ LYS 63 HZ3 LYS 63 99.155 9.949 5.449
Start of MODEL 14
1 H ARG 16 HN ARG 16 95.749 -13.418 -5.732
2 HA ARG 16 HA ARG 16 93.845 -11.248 -5.222
3 1HB ARG 16 HB2 ARG 16 93.520 -14.016 -6.375
4 2HB ARG 16 HB1 ARG 16 92.149 -13.008 -5.933
5 1HG ARG 16 HG2 ARG 16 92.256 -12.327 -8.059
6 2HG ARG 16 HG1 ARG 16 93.565 -11.294 -7.481
7 1HD ARG 16 HD2 ARG 16 95.209 -12.668 -8.348
8 2HD ARG 16 HD1 ARG 16 94.160 -14.084 -8.365
9 HE ARG 16 HE ARG 16 93.409 -13.471 -10.443
10 1HH1 ARG 16 1HH1 ARG 16 95.136 -10.794 -9.017
11 2HH1 ARG 16 2HH1 ARG 16 95.137 -9.856 -10.472
12 1HH2 ARG 16 1HH2 ARG 16 93.409 -12.240 -12.358
13 2HH2 ARG 16 2HH2 ARG 16 94.156 -10.676 -12.369
14 H GLU 17 HN GLU 17 94.159 -11.091 -2.970
15 HA GLU 17 HA GLU 17 92.542 -12.898 -1.443
16 1HB GLU 17 HB2 GLU 17 95.361 -13.375 -1.581
17 2HB GLU 17 HB1 GLU 17 94.958 -12.862 0.050
18 1HG GLU 17 HG2 GLU 17 93.071 -14.808 -0.962
19 2HG GLU 17 HG1 GLU 17 94.728 -15.411 -0.996
20 H SER 18 HN SER 18 92.396 -10.157 -2.019
21 HA SER 18 HA SER 18 91.907 -9.071 0.512
22 1HB SER 18 HB2 SER 18 94.534 -9.055 0.296
23 2HB SER 18 HB1 SER 18 94.238 -7.632 -0.701
24 HG SER 18 HG SER 18 94.208 -6.667 1.174
25 H LYS 19 HN LYS 19 91.020 -6.929 0.413
26 HA LYS 19 HA LYS 19 90.942 -5.446 -1.991
27 1HB LYS 19 HB2 LYS 19 88.365 -5.742 -2.201
28 2HB LYS 19 HB1 LYS 19 89.457 -6.865 -2.991
29 1HG LYS 19 HG2 LYS 19 87.545 -7.958 -1.859
30 2HG LYS 19 HG1 LYS 19 89.116 -8.504 -1.272
31 1HD LYS 19 HD2 LYS 19 88.915 -7.244 0.722
32 2HD LYS 19 HD1 LYS 19 87.552 -6.322 0.086
33 1HE LYS 19 HE2 LYS 19 87.141 -9.226 0.146
34 2HE LYS 19 HE1 LYS 19 87.342 -8.482 1.732
35 1HZ LYS 19 HZ1 LYS 19 85.631 -6.799 0.492
36 2HZ LYS 19 HZ2 LYS 19 85.178 -8.030 1.558
37 3HZ LYS 19 HZ3 LYS 19 85.142 -8.303 -0.112
38 H CYS 20 HN CYS 20 90.014 -3.441 -1.776
39 HA CYS 20 HA CYS 20 89.560 -2.594 0.954
40 1HB CYS 20 HB2 CYS 20 91.054 -1.287 -0.447
41 2HB CYS 20 HB1 CYS 20 89.754 -1.001 -1.598
42 HA PRO 21 HA PRO 21 85.479 -1.229 -1.738
43 1HB PRO 21 HB2 PRO 21 85.072 -4.172 -2.128
44 2HB PRO 21 HB1 PRO 21 84.432 -2.821 -3.073
45 1HG PRO 21 HG2 PRO 21 86.561 -4.194 -3.918
46 2HG PRO 21 HG1 PRO 21 86.448 -2.439 -4.145
47 1HD PRO 21 HD2 PRO 21 88.166 -3.989 -2.317
48 2HD PRO 21 HD1 PRO 21 88.394 -2.354 -2.955
49 H THR 22 HN THR 22 85.512 -0.814 0.665
50 HA THR 22 HA THR 22 84.233 -2.814 2.318
51 HB THR 22 HB THR 22 84.271 -0.429 3.738
52 HG1 THR 22 HG1 THR 22 86.671 -0.571 2.252
53 1HG2 THR 22 1HG2 THR 22 85.195 -1.975 5.050
54 2HG2 THR 22 2HG2 THR 22 86.719 -1.467 4.322
55 3HG2 THR 22 3HG2 THR 22 85.862 -2.871 3.687
56 HA PRO 23 HA PRO 23 80.001 -1.608 2.189
57 1HB PRO 23 HB2 PRO 23 79.536 -0.513 4.721
58 2HB PRO 23 HB1 PRO 23 79.390 -2.218 4.285
59 1HG PRO 23 HG2 PRO 23 81.644 -0.783 5.609
60 2HG PRO 23 HG1 PRO 23 81.034 -2.424 5.891
61 1HD PRO 23 HD2 PRO 23 83.287 -2.004 4.520
62 2HD PRO 23 HD1 PRO 23 82.157 -3.291 4.051
63 H GLY 24 HN GLY 24 82.368 0.747 3.148
64 1HA GLY 24 HA2 GLY 24 80.503 2.916 2.447
65 2HA GLY 24 HA1 GLY 24 81.929 3.104 3.446
66 H CYS 25 HN CYS 25 83.949 2.001 1.966
67 HA CYS 25 HA CYS 25 84.605 3.998 0.163
68 1HB CYS 25 HB2 CYS 25 86.345 2.474 1.031
69 2HB CYS 25 HB1 CYS 25 85.599 1.132 0.146
70 H ASP 26 HN ASP 26 84.797 3.985 -2.191
71 HA ASP 26 HA ASP 26 82.491 2.651 -3.408
72 1HB ASP 26 HB2 ASP 26 82.785 5.144 -3.602
73 2HB ASP 26 HB1 ASP 26 84.217 4.838 -4.579
74 H GLY 27 HN GLY 27 85.970 3.143 -3.857
75 1HA GLY 27 HA2 GLY 27 87.473 1.538 -4.692
76 2HA GLY 27 HA1 GLY 27 86.111 0.612 -5.276
77 H THR 28 HN THR 28 87.225 3.880 -5.791
78 HA THR 28 HA THR 28 87.789 3.404 -8.540
79 HB THR 28 HB THR 28 85.236 4.368 -7.706
80 HG1 THR 28 HG1 THR 28 84.764 3.614 -9.609
81 1HG2 THR 28 1HG2 THR 28 86.749 6.315 -9.425
82 2HG2 THR 28 2HG2 THR 28 86.040 6.625 -7.840
83 3HG2 THR 28 3HG2 THR 28 84.998 6.288 -9.223
84 H GLY 29 HN GLY 29 89.390 4.702 -9.238
85 1HA GLY 29 HA2 GLY 29 90.591 6.704 -9.456
86 2HA GLY 29 HA1 GLY 29 89.784 7.332 -8.028
87 H HIS 30 HN HIS 30 91.187 4.181 -7.860
88 HA HIS 30 HA HIS 30 92.635 3.481 -6.127
89 1HB HIS 30 HB2 HIS 30 93.481 3.665 -8.579
90 2HB HIS 30 HB1 HIS 30 94.622 4.787 -7.916
91 HD2 HIS 30 HD2 HIS 30 93.632 1.001 -7.551
92 HE1 HIS 30 HE1 HIS 30 97.718 1.519 -6.602
93 HE2 HIS 30 HE2 HIS 30 95.900 -0.165 -7.106
94 H VAL 31 HN VAL 31 95.208 4.420 -5.589
95 HA VAL 31 HA VAL 31 94.720 6.212 -3.478
96 HB VAL 31 HB VAL 31 96.606 4.706 -3.382
97 1HG1 VAL 31 1HG1 VAL 31 97.780 4.349 -5.232
98 2HG1 VAL 31 2HG1 VAL 31 98.609 5.870 -4.905
99 3HG1 VAL 31 3HG1 VAL 31 97.204 5.844 -5.969
100 1HG2 VAL 31 1HG2 VAL 31 97.652 6.100 -2.006
101 2HG2 VAL 31 2HG2 VAL 31 96.662 7.402 -2.664
102 3HG2 VAL 31 3HG2 VAL 31 98.250 7.069 -3.353
103 H THR 32 HN THR 32 95.782 6.916 -6.787
104 HA THR 32 HA THR 32 95.532 9.752 -6.072
105 HB THR 32 HB THR 32 97.866 9.477 -6.194
106 HG1 THR 32 HG1 THR 32 98.318 10.863 -7.761
107 1HG2 THR 32 1HG2 THR 32 97.525 7.948 -8.760
108 2HG2 THR 32 2HG2 THR 32 97.954 7.253 -7.197
109 3HG2 THR 32 3HG2 THR 32 99.054 8.378 -7.993
110 H GLY 33 HN GLY 33 93.845 7.658 -7.516
111 1HA GLY 33 HA2 GLY 33 92.368 7.657 -9.267
112 2HA GLY 33 HA1 GLY 33 92.692 9.372 -9.377
113 H LEU 34 HN LEU 34 95.423 7.385 -9.648
114 HA LEU 34 HA LEU 34 95.541 7.982 -12.506
115 1HB LEU 34 HB2 LEU 34 97.741 7.057 -10.680
116 2HB LEU 34 HB1 LEU 34 97.919 7.565 -12.354
117 HG LEU 34 HG LEU 34 96.773 9.354 -10.271
118 1HD1 LEU 34 1HD1 LEU 34 98.828 10.075 -9.569
119 2HD1 LEU 34 2HD1 LEU 34 99.601 9.694 -11.105
120 3HD1 LEU 34 3HD1 LEU 34 99.249 8.408 -9.953
121 1HD2 LEU 34 1HD2 LEU 34 96.773 10.956 -11.844
122 2HD2 LEU 34 2HD2 LEU 34 96.824 9.595 -12.964
123 3HD2 LEU 34 3HD2 LEU 34 98.314 10.431 -12.523
124 H TYR 35 HN TYR 35 94.424 5.631 -10.638
125 HA TYR 35 HA TYR 35 95.366 3.525 -12.485
126 1HB TYR 35 HB2 TYR 35 94.459 3.093 -9.655
127 2HB TYR 35 HB1 TYR 35 95.157 1.895 -10.724
128 HD1 TYR 35 HD1 TYR 35 96.170 5.341 -9.721
129 HD2 TYR 35 HD2 TYR 35 97.233 1.241 -9.915
130 HE1 TYR 35 HE1 TYR 35 98.392 5.888 -8.831
131 HE2 TYR 35 HE2 TYR 35 99.463 1.770 -9.037
132 HH TYR 35 HH TYR 35 100.614 4.989 -8.757
133 HA PRO 36 HA PRO 36 91.132 2.896 -13.518
134 1HB PRO 36 HB2 PRO 36 91.423 -0.008 -13.562
135 2HB PRO 36 HB1 PRO 36 91.214 1.105 -14.915
136 1HG PRO 36 HG2 PRO 36 93.533 -0.224 -14.446
137 2HG PRO 36 HG1 PRO 36 93.472 1.370 -15.219
138 1HD PRO 36 HD2 PRO 36 94.136 0.659 -12.387
139 2HD PRO 36 HD1 PRO 36 94.884 1.870 -13.452
140 H HIS 37 HN HIS 37 91.581 3.163 -10.719
141 HA HIS 37 HA HIS 37 90.123 3.026 -8.938
142 1HB HIS 37 HB2 HIS 37 89.147 0.319 -9.816
143 2HB HIS 37 HB1 HIS 37 88.384 1.469 -8.729
144 HD2 HIS 37 HD2 HIS 37 88.512 4.029 -10.858
145 HE1 HIS 37 HE1 HIS 37 86.039 1.474 -13.151
146 HE2 HIS 37 HE2 HIS 37 86.965 3.825 -12.928
147 H HIS 38 HN HIS 38 89.799 1.067 -7.253
148 HA HIS 38 HA HIS 38 92.273 -0.482 -7.132
149 1HB HIS 38 HB2 HIS 38 92.751 0.208 -4.852
150 2HB HIS 38 HB1 HIS 38 92.710 1.616 -5.906
151 HD1 HIS 38 HD1 HIS 38 90.859 3.331 -5.508
152 HD2 HIS 38 HD2 HIS 38 90.710 0.034 -3.003
153 HE1 HIS 38 HE1 HIS 38 89.080 3.851 -3.754
154 H ARG 39 HN ARG 39 92.075 -2.423 -6.104
155 HA ARG 39 HA ARG 39 89.520 -2.967 -4.769
156 1HB ARG 39 HB2 ARG 39 90.643 -4.255 -7.170
157 2HB ARG 39 HB1 ARG 39 90.070 -5.369 -5.937
158 1HG ARG 39 HG2 ARG 39 87.901 -4.815 -6.240
159 2HG ARG 39 HG1 ARG 39 88.269 -3.134 -6.629
160 1HD ARG 39 HD2 ARG 39 88.967 -3.744 -8.846
161 2HD ARG 39 HD1 ARG 39 88.812 -5.459 -8.467
162 HE ARG 39 HE ARG 39 86.375 -3.968 -8.139
163 1HH1 ARG 39 1HH1 ARG 39 88.377 -5.735 -10.385
164 2HH1 ARG 39 2HH1 ARG 39 87.066 -6.109 -11.454
165 1HH2 ARG 39 1HH2 ARG 39 84.650 -4.460 -9.541
166 2HH2 ARG 39 2HH2 ARG 39 84.949 -5.383 -10.974
167 H SER 40 HN SER 40 92.127 -2.361 -3.645
168 HA SER 40 HA SER 40 92.276 -4.567 -1.845
169 1HB SER 40 HB2 SER 40 94.673 -5.123 -2.292
170 2HB SER 40 HB1 SER 40 93.544 -5.626 -3.550
171 HG SER 40 HG SER 40 94.129 -3.574 -4.600
172 H LEU 41 HN LEU 41 92.389 -1.381 -2.119
173 HA LEU 41 HA LEU 41 92.942 0.184 -0.549
174 1HB LEU 41 HB2 LEU 41 94.798 -1.737 0.814
175 2HB LEU 41 HB1 LEU 41 93.976 -0.345 1.487
176 HG LEU 41 HG LEU 41 92.129 -2.374 0.497
177 1HD1 LEU 41 1HD1 LEU 41 93.411 -3.203 3.024
178 2HD1 LEU 41 2HD1 LEU 41 94.308 -3.536 1.541
179 3HD1 LEU 41 3HD1 LEU 41 92.678 -4.176 1.748
180 1HD2 LEU 41 1HD2 LEU 41 92.522 -0.829 3.035
181 2HD2 LEU 41 2HD2 LEU 41 91.251 -2.033 2.842
182 3HD2 LEU 41 3HD2 LEU 41 91.287 -0.611 1.807
183 H SER 42 HN SER 42 95.452 -1.824 -1.966
184 HA SER 42 HA SER 42 97.757 -0.467 -1.613
185 1HB SER 42 HB2 SER 42 98.246 -0.994 -4.086
186 2HB SER 42 HB1 SER 42 97.847 -2.351 -3.033
187 HG SER 42 HG SER 42 95.755 -2.330 -3.860
188 H GLY 43 HN GLY 43 94.984 0.599 -3.437
189 1HA GLY 43 HA2 GLY 43 96.379 3.079 -4.132
190 2HA GLY 43 HA1 GLY 43 94.981 2.445 -4.969
191 H CYS 44 HN CYS 44 92.983 2.687 -4.159
192 HA CYS 44 HA CYS 44 91.288 3.830 -3.101
193 1HB CYS 44 HB2 CYS 44 92.272 2.273 -1.278
194 2HB CYS 44 HB1 CYS 44 92.906 3.759 -0.581
195 HA PRO 45 HA PRO 45 93.032 8.015 -3.148
196 1HB PRO 45 HB2 PRO 45 90.979 9.230 -4.357
197 2HB PRO 45 HB1 PRO 45 92.092 8.194 -5.253
198 1HG PRO 45 HG2 PRO 45 89.324 7.640 -4.312
199 2HG PRO 45 HG1 PRO 45 90.142 7.085 -5.779
200 1HD PRO 45 HD2 PRO 45 89.786 5.612 -3.420
201 2HD PRO 45 HD1 PRO 45 90.892 5.209 -4.746
202 H HIS 46 HN HIS 46 91.201 6.825 -0.892
203 HA HIS 46 HA HIS 46 90.006 9.386 -0.122
204 1HB HIS 46 HB2 HIS 46 89.255 6.739 1.069
205 2HB HIS 46 HB1 HIS 46 88.324 8.227 0.982
206 HD2 HIS 46 HD2 HIS 46 88.464 4.933 -0.735
207 HE1 HIS 46 HE1 HIS 46 86.788 7.576 -3.545
208 HE2 HIS 46 HE2 HIS 46 87.049 5.158 -2.879
209 H LYS 47 HN LYS 47 90.535 6.822 2.290
210 HA LYS 47 HA LYS 47 91.947 6.706 4.063
211 1HB LYS 47 HB2 LYS 47 93.548 7.854 2.106
212 2HB LYS 47 HB1 LYS 47 93.684 8.970 3.458
213 1HG LYS 47 HG2 LYS 47 93.895 6.349 4.490
214 2HG LYS 47 HG1 LYS 47 94.950 6.458 3.081
215 1HD LYS 47 HD2 LYS 47 94.971 8.628 5.142
216 2HD LYS 47 HD1 LYS 47 95.856 7.129 5.431
217 1HE LYS 47 HE2 LYS 47 97.285 7.485 3.623
218 2HE LYS 47 HE1 LYS 47 96.202 8.657 2.876
219 1HZ LYS 47 HZ1 LYS 47 98.364 9.313 4.299
220 2HZ LYS 47 HZ2 LYS 47 97.179 9.384 5.502
221 3HZ LYS 47 HZ3 LYS 47 97.022 10.325 4.106
222 H ASP 48 HN ASP 48 89.821 7.644 4.897
223 HA ASP 48 HA ASP 48 90.510 10.151 6.278
224 1HB ASP 48 HB2 ASP 48 88.719 10.216 4.276
225 2HB ASP 48 HB1 ASP 48 87.654 9.792 5.612
226 H ARG 49 HN ARG 49 90.067 7.017 6.775
227 HA ARG 49 HA ARG 49 89.460 5.798 8.564
228 1HB ARG 49 HB2 ARG 49 89.436 8.502 9.907
229 2HB ARG 49 HB1 ARG 49 89.333 6.971 10.766
230 1HG ARG 49 HG2 ARG 49 91.551 7.154 10.928
231 2HG ARG 49 HG1 ARG 49 91.562 6.587 9.257
232 1HD ARG 49 HD2 ARG 49 92.857 8.468 9.064
233 2HD ARG 49 HD1 ARG 49 91.266 9.150 8.737
234 HE ARG 49 HE ARG 49 92.065 9.230 11.509
235 1HH1 ARG 49 1HH1 ARG 49 92.080 10.904 8.443
236 2HH1 ARG 49 2HH1 ARG 49 92.288 12.468 9.159
237 1HH2 ARG 49 1HH2 ARG 49 92.340 11.286 12.447
238 2HH2 ARG 49 2HH2 ARG 49 92.435 12.685 11.430
239 H VAL 50 HN VAL 50 87.441 6.363 6.824
240 HA VAL 50 HA VAL 50 85.158 5.950 8.534
241 HB VAL 50 HB VAL 50 83.989 7.685 6.731
242 1HG1 VAL 50 1HG1 VAL 50 84.745 7.837 9.609
243 2HG1 VAL 50 2HG1 VAL 50 83.151 7.690 8.868
244 3HG1 VAL 50 3HG1 VAL 50 84.000 9.237 8.835
245 1HG2 VAL 50 1HG2 VAL 50 86.090 9.415 7.876
246 2HG2 VAL 50 2HG2 VAL 50 85.217 9.546 6.349
247 3HG2 VAL 50 3HG2 VAL 50 86.566 8.422 6.499
248 HA PRO 51 HA PRO 51 83.977 2.885 5.676
249 1HB PRO 51 HB2 PRO 51 81.422 4.346 5.259
250 2HB PRO 51 HB1 PRO 51 81.707 2.656 5.658
251 1HG PRO 51 HG2 PRO 51 80.954 4.572 7.481
252 2HG PRO 51 HG1 PRO 51 81.776 3.060 7.888
253 1HD PRO 51 HD2 PRO 51 82.782 5.776 8.036
254 2HD PRO 51 HD1 PRO 51 83.537 4.278 8.612
255 HA PRO 52 HA PRO 52 83.106 5.376 1.663
256 1HB PRO 52 HB2 PRO 52 83.035 8.212 2.403
257 2HB PRO 52 HB1 PRO 52 81.873 7.271 1.466
258 1HG PRO 52 HG2 PRO 52 81.322 8.161 3.946
259 2HG PRO 52 HG1 PRO 52 80.691 6.621 3.336
260 1HD PRO 52 HD2 PRO 52 83.022 7.131 5.152
261 2HD PRO 52 HD1 PRO 52 81.755 5.898 5.271
262 H GLU 53 HN GLU 53 85.493 4.654 2.419
263 HA GLU 53 HA GLU 53 87.257 6.425 1.125
264 1HB GLU 53 HB2 GLU 53 87.338 6.224 4.112
265 2HB GLU 53 HB1 GLU 53 88.813 6.516 3.206
266 1HG GLU 53 HG2 GLU 53 88.303 8.670 3.440
267 2HG GLU 53 HG1 GLU 53 87.149 8.388 2.144
268 H ILE 54 HN ILE 54 88.632 4.642 3.666
269 HA ILE 54 HA ILE 54 89.311 2.473 1.792
270 HB ILE 54 HB ILE 54 91.103 2.929 4.108
271 1HG1 ILE 54 2HG1 ILE 54 90.897 4.861 1.795
272 2HG1 ILE 54 1HG1 ILE 54 90.916 5.218 3.514
273 1HG2 ILE 54 1HG2 ILE 54 92.043 1.305 2.875
274 2HG2 ILE 54 2HG2 ILE 54 92.650 2.631 1.886
275 3HG2 ILE 54 3HG2 ILE 54 91.188 1.782 1.415
276 1HD1 ILE 54 1HD1 ILE 54 93.260 4.065 2.036
277 2HD1 ILE 54 2HD1 ILE 54 93.233 4.732 3.668
278 3HD1 ILE 54 3HD1 ILE 54 93.000 5.788 2.276
279 H LEU 55 HN LEU 55 88.364 3.445 4.976
280 HA LEU 55 HA LEU 55 87.917 2.238 6.906
281 1HB LEU 55 HB2 LEU 55 85.857 2.484 5.479
282 2HB LEU 55 HB1 LEU 55 86.113 0.834 4.946
283 HG LEU 55 HG LEU 55 86.043 0.262 7.486
284 1HD1 LEU 55 1HD1 LEU 55 84.232 2.602 7.686
285 2HD1 LEU 55 2HD1 LEU 55 85.963 2.874 7.885
286 3HD1 LEU 55 3HD1 LEU 55 85.120 1.744 8.946
287 1HD2 LEU 55 1HD2 LEU 55 83.386 0.555 7.226
288 2HD2 LEU 55 2HD2 LEU 55 84.309 -0.707 6.411
289 3HD2 LEU 55 3HD2 LEU 55 83.878 0.770 5.547
290 H ALA 56 HN ALA 56 90.170 1.039 5.541
291 HA ALA 56 HA ALA 56 90.500 -1.253 7.018
292 1HB ALA 56 HB1 ALA 56 88.870 -1.737 4.679
293 2HB ALA 56 HB2 ALA 56 89.200 -2.782 6.063
294 3HB ALA 56 HB3 ALA 56 90.314 -2.749 4.698
295 H MET 57 HN MET 57 91.964 1.012 5.820
296 HA MET 57 HA MET 57 93.875 -0.222 4.025
297 1HB MET 57 HB2 MET 57 93.075 2.379 4.444
298 2HB MET 57 HB1 MET 57 94.661 2.336 5.205
299 1HG MET 57 HG2 MET 57 94.128 1.389 2.398
300 2HG MET 57 HG1 MET 57 94.655 3.022 2.805
301 1HE MET 57 HE1 MET 57 97.679 3.376 2.617
302 2HE MET 57 HE2 MET 57 96.379 3.134 1.451
303 3HE MET 57 HE3 MET 57 97.839 2.149 1.362
304 H HIS 58 HN HIS 58 95.643 -1.289 4.606
305 HA HIS 58 HA HIS 58 97.267 -2.227 5.901
306 1HB HIS 58 HB2 HIS 58 97.139 0.504 7.201
307 2HB HIS 58 HB1 HIS 58 98.384 -0.689 7.547
308 HD2 HIS 58 HD2 HIS 58 99.571 1.937 6.376
309 HE1 HIS 58 HE1 HIS 58 99.495 0.011 2.609
310 HE2 HIS 58 HE2 HIS 58 100.326 2.030 3.897
311 H GLU 59 HN GLU 59 97.828 -2.005 8.650
312 HA GLU 59 HA GLU 59 95.498 -3.388 9.730
313 1HB GLU 59 HB2 GLU 59 98.345 -3.143 10.710
314 2HB GLU 59 HB1 GLU 59 97.081 -3.983 11.597
315 1HG GLU 59 HG2 GLU 59 97.743 -4.719 8.773
316 2HG GLU 59 HG1 GLU 59 98.670 -5.355 10.130
317 H ASN 60 HN ASN 60 95.110 -0.655 9.446
318 HA ASN 60 HA ASN 60 94.638 0.087 12.203
319 1HB ASN 60 HB2 ASN 60 96.916 1.063 10.973
320 2HB ASN 60 HB1 ASN 60 95.752 2.366 10.754
321 1HD2 ASN 60 1HD2 ASN 60 96.457 0.039 13.342
322 2HD2 ASN 60 2HD2 ASN 60 96.596 1.227 14.601
323 H VAL 61 HN VAL 61 92.701 -0.652 10.523
324 HA VAL 61 HA VAL 61 91.492 1.026 8.757
325 HB VAL 61 HB VAL 61 89.374 0.074 9.353
326 1HG1 VAL 61 1HG1 VAL 61 91.555 -1.428 8.731
327 2HG1 VAL 61 2HG1 VAL 61 89.900 -2.034 8.787
328 3HG1 VAL 61 3HG1 VAL 61 90.965 -2.247 10.176
329 1HG2 VAL 61 1HG2 VAL 61 89.641 -1.469 11.596
330 2HG2 VAL 61 2HG2 VAL 61 88.863 0.111 11.542
331 3HG2 VAL 61 3HG2 VAL 61 90.550 -0.022 12.033
332 H LEU 62 HN LEU 62 90.516 3.045 8.781
333 HA LEU 62 HA LEU 62 90.126 5.125 9.610
334 1HB LEU 62 HB2 LEU 62 88.721 3.648 11.830
335 2HB LEU 62 HB1 LEU 62 88.358 5.254 11.230
336 HG LEU 62 HG LEU 62 87.846 4.009 8.988
337 1HD1 LEU 62 1HD1 LEU 62 88.108 1.802 9.068
338 2HD1 LEU 62 2HD1 LEU 62 86.703 1.753 10.135
339 3HD1 LEU 62 3HD1 LEU 62 88.326 1.823 10.819
340 1HD2 LEU 62 1HD2 LEU 62 85.768 3.419 11.006
341 2HD2 LEU 62 2HD2 LEU 62 85.653 4.298 9.482
342 3HD2 LEU 62 3HD2 LEU 62 86.319 5.091 10.910
343 H LYS 63 HN LYS 63 92.611 4.007 10.481
344 HA LYS 63 HA LYS 63 94.290 4.304 11.993
345 1HB LYS 63 HB2 LYS 63 93.495 6.700 11.306
346 2HB LYS 63 HB1 LYS 63 92.899 6.775 12.959
347 1HG LYS 63 HG2 LYS 63 94.922 7.271 13.701
348 2HG LYS 63 HG1 LYS 63 95.575 5.795 12.991
349 1HD LYS 63 HD2 LYS 63 96.539 6.917 11.317
350 2HD LYS 63 HD1 LYS 63 95.071 7.842 10.992
351 1HE LYS 63 HE2 LYS 63 95.698 9.198 13.075
352 2HE LYS 63 HE1 LYS 63 97.287 8.449 12.925
353 1HZ LYS 63 HZ1 LYS 63 96.349 9.533 10.446
354 2HZ LYS 63 HZ2 LYS 63 97.815 9.792 11.250
355 3HZ LYS 63 HZ3 LYS 63 96.455 10.711 11.655
Start of MODEL 15
1 H ARG 16 HN ARG 16 97.031 -10.824 -2.806
2 HA ARG 16 HA ARG 16 97.687 -11.488 -0.735
3 1HB ARG 16 HB2 ARG 16 99.911 -10.725 -1.749
4 2HB ARG 16 HB1 ARG 16 99.717 -9.263 -0.791
5 1HG ARG 16 HG2 ARG 16 100.929 -10.441 0.697
6 2HG ARG 16 HG1 ARG 16 99.345 -11.088 1.129
7 1HD ARG 16 HD2 ARG 16 99.720 -13.091 0.028
8 2HD ARG 16 HD1 ARG 16 100.961 -12.399 -1.016
9 HE ARG 16 HE ARG 16 102.529 -12.823 0.606
10 1HH1 ARG 16 1HH1 ARG 16 99.337 -13.221 1.963
11 2HH1 ARG 16 2HH1 ARG 16 99.916 -13.922 3.437
12 1HH2 ARG 16 1HH2 ARG 16 103.290 -13.743 2.545
13 2HH2 ARG 16 2HH2 ARG 16 102.159 -14.216 3.768
14 H GLU 17 HN GLU 17 95.474 -10.077 -0.582
15 HA GLU 17 HA GLU 17 95.581 -8.913 2.014
16 1HB GLU 17 HB2 GLU 17 95.949 -7.150 -0.196
17 2HB GLU 17 HB1 GLU 17 94.359 -6.833 0.486
18 1HG GLU 17 HG2 GLU 17 95.283 -5.661 2.110
19 2HG GLU 17 HG1 GLU 17 96.179 -7.085 2.639
20 H SER 18 HN SER 18 93.229 -7.514 2.081
21 HA SER 18 HA SER 18 91.268 -9.559 1.266
22 1HB SER 18 HB2 SER 18 91.796 -8.503 3.802
23 2HB SER 18 HB1 SER 18 90.300 -7.720 3.293
24 HG SER 18 HG SER 18 89.642 -9.967 2.710
25 H LYS 19 HN LYS 19 92.350 -6.880 0.033
26 HA LYS 19 HA LYS 19 91.551 -5.389 -1.436
27 1HB LYS 19 HB2 LYS 19 88.807 -6.534 -0.969
28 2HB LYS 19 HB1 LYS 19 89.346 -5.568 -2.335
29 1HG LYS 19 HG2 LYS 19 90.783 -8.106 -1.832
30 2HG LYS 19 HG1 LYS 19 89.129 -8.219 -2.429
31 1HD LYS 19 HD2 LYS 19 91.090 -6.390 -3.757
32 2HD LYS 19 HD1 LYS 19 91.101 -8.117 -4.117
33 1HE LYS 19 HE2 LYS 19 88.725 -6.277 -4.393
34 2HE LYS 19 HE1 LYS 19 89.732 -6.861 -5.718
35 1HZ LYS 19 HZ1 LYS 19 89.086 -9.169 -4.816
36 2HZ LYS 19 HZ2 LYS 19 87.959 -8.311 -5.738
37 3HZ LYS 19 HZ3 LYS 19 87.815 -8.353 -4.054
38 H CYS 20 HN CYS 20 89.901 -3.578 -1.602
39 HA CYS 20 HA CYS 20 89.553 -2.376 1.056
40 1HB CYS 20 HB2 CYS 20 91.212 -1.372 -0.504
41 2HB CYS 20 HB1 CYS 20 89.896 -0.997 -1.602
42 HA PRO 21 HA PRO 21 85.380 -2.123 -1.141
43 1HB PRO 21 HB2 PRO 21 84.104 -4.399 -0.731
44 2HB PRO 21 HB1 PRO 21 85.361 -4.310 -1.975
45 1HG PRO 21 HG2 PRO 21 85.526 -5.413 0.808
46 2HG PRO 21 HG1 PRO 21 86.163 -6.093 -0.701
47 1HD PRO 21 HD2 PRO 21 87.645 -4.613 1.120
48 2HD PRO 21 HD1 PRO 21 88.058 -4.845 -0.586
49 H THR 22 HN THR 22 85.323 -0.595 0.798
50 HA THR 22 HA THR 22 83.926 -1.792 3.094
51 HB THR 22 HB THR 22 85.555 -0.412 3.978
52 HG1 THR 22 HG1 THR 22 83.897 1.748 3.877
53 1HG2 THR 22 1HG2 THR 22 86.677 0.773 2.444
54 2HG2 THR 22 2HG2 THR 22 85.636 2.078 3.014
55 3HG2 THR 22 3HG2 THR 22 85.217 1.185 1.555
56 HA PRO 23 HA PRO 23 79.825 -0.594 2.107
57 1HB PRO 23 HB2 PRO 23 79.943 1.068 4.596
58 2HB PRO 23 HB1 PRO 23 78.689 -0.054 4.055
59 1HG PRO 23 HG2 PRO 23 80.434 -0.776 5.932
60 2HG PRO 23 HG1 PRO 23 79.900 -1.927 4.693
61 1HD PRO 23 HD2 PRO 23 82.503 -0.529 4.980
62 2HD PRO 23 HD1 PRO 23 82.140 -2.105 4.250
63 H GLY 24 HN GLY 24 82.198 1.839 2.949
64 1HA GLY 24 HA2 GLY 24 80.629 3.888 1.560
65 2HA GLY 24 HA1 GLY 24 81.986 4.192 2.625
66 H CYS 25 HN CYS 25 84.042 2.671 1.572
67 HA CYS 25 HA CYS 25 84.926 4.222 -0.537
68 1HB CYS 25 HB2 CYS 25 86.484 2.679 0.767
69 2HB CYS 25 HB1 CYS 25 85.798 1.339 -0.179
70 H ASP 26 HN ASP 26 85.095 3.929 -2.775
71 HA ASP 26 HA ASP 26 82.870 2.400 -3.890
72 1HB ASP 26 HB2 ASP 26 83.147 4.828 -4.435
73 2HB ASP 26 HB1 ASP 26 84.649 4.425 -5.260
74 H GLY 27 HN GLY 27 86.357 2.884 -4.369
75 1HA GLY 27 HA2 GLY 27 87.885 1.159 -4.888
76 2HA GLY 27 HA1 GLY 27 86.541 0.160 -5.395
77 H THR 28 HN THR 28 87.303 3.416 -6.302
78 HA THR 28 HA THR 28 88.179 2.665 -8.914
79 HB THR 28 HB THR 28 85.461 3.393 -8.379
80 HG1 THR 28 HG1 THR 28 85.336 2.159 -10.046
81 1HG2 THR 28 1HG2 THR 28 86.854 5.262 -10.277
82 2HG2 THR 28 2HG2 THR 28 86.021 5.698 -8.784
83 3HG2 THR 28 3HG2 THR 28 85.108 5.052 -10.150
84 H GLY 29 HN GLY 29 89.664 4.083 -9.672
85 1HA GLY 29 HA2 GLY 29 90.458 6.299 -10.071
86 2HA GLY 29 HA1 GLY 29 89.679 6.822 -8.586
87 H HIS 30 HN HIS 30 91.137 4.012 -7.759
88 HA HIS 30 HA HIS 30 92.953 3.589 -6.401
89 1HB HIS 30 HB2 HIS 30 93.646 3.903 -8.889
90 2HB HIS 30 HB1 HIS 30 94.552 5.239 -8.284
91 HD2 HIS 30 HD2 HIS 30 94.438 1.328 -7.896
92 HE1 HIS 30 HE1 HIS 30 98.319 2.772 -7.047
93 HE2 HIS 30 HE2 HIS 30 96.854 0.710 -7.195
94 H VAL 31 HN VAL 31 95.215 4.885 -5.839
95 HA VAL 31 HA VAL 31 94.597 6.628 -3.800
96 HB VAL 31 HB VAL 31 96.734 5.408 -4.055
97 1HG1 VAL 31 1HG1 VAL 31 96.899 6.720 -6.477
98 2HG1 VAL 31 2HG1 VAL 31 98.188 5.803 -5.697
99 3HG1 VAL 31 3HG1 VAL 31 98.091 7.549 -5.473
100 1HG2 VAL 31 1HG2 VAL 31 98.146 7.278 -3.118
101 2HG2 VAL 31 2HG2 VAL 31 96.604 7.003 -2.309
102 3HG2 VAL 31 3HG2 VAL 31 96.782 8.352 -3.432
103 H THR 32 HN THR 32 95.190 7.613 -7.182
104 HA THR 32 HA THR 32 94.541 10.317 -6.234
105 HB THR 32 HB THR 32 96.879 10.407 -6.546
106 HG1 THR 32 HG1 THR 32 95.608 12.075 -7.605
107 1HG2 THR 32 1HG2 THR 32 96.489 9.097 -9.224
108 2HG2 THR 32 2HG2 THR 32 97.262 8.385 -7.807
109 3HG2 THR 32 3HG2 THR 32 98.005 9.764 -8.618
110 H GLY 33 HN GLY 33 93.041 8.107 -7.709
111 1HA GLY 33 HA2 GLY 33 91.371 8.117 -9.305
112 2HA GLY 33 HA1 GLY 33 91.606 9.843 -9.392
113 H LEU 34 HN LEU 34 94.428 8.050 -9.934
114 HA LEU 34 HA LEU 34 94.146 8.567 -12.812
115 1HB LEU 34 HB2 LEU 34 96.728 8.330 -11.313
116 2HB LEU 34 HB1 LEU 34 96.486 8.898 -12.959
117 HG LEU 34 HG LEU 34 95.171 10.262 -10.683
118 1HD1 LEU 34 1HD1 LEU 34 97.742 11.362 -11.663
119 2HD1 LEU 34 2HD1 LEU 34 97.831 9.971 -10.583
120 3HD1 LEU 34 3HD1 LEU 34 97.019 11.444 -10.059
121 1HD2 LEU 34 1HD2 LEU 34 95.816 12.179 -12.447
122 2HD2 LEU 34 2HD2 LEU 34 94.319 11.249 -12.522
123 3HD2 LEU 34 3HD2 LEU 34 95.692 10.795 -13.532
124 H TYR 35 HN TYR 35 93.828 6.044 -10.824
125 HA TYR 35 HA TYR 35 95.273 4.271 -12.720
126 1HB TYR 35 HB2 TYR 35 94.595 3.665 -9.863
127 2HB TYR 35 HB1 TYR 35 95.462 2.608 -10.947
128 HD1 TYR 35 HD1 TYR 35 95.772 6.196 -9.984
129 HD2 TYR 35 HD2 TYR 35 97.687 2.431 -10.344
130 HE1 TYR 35 HE1 TYR 35 97.888 7.210 -9.257
131 HE2 TYR 35 HE2 TYR 35 99.811 3.429 -9.629
132 HH TYR 35 HH TYR 35 100.200 5.956 -8.032
133 HA PRO 36 HA PRO 36 91.418 2.408 -13.694
134 1HB PRO 36 HB2 PRO 36 91.976 -0.238 -13.886
135 2HB PRO 36 HB1 PRO 36 92.518 0.939 -15.085
136 1HG PRO 36 HG2 PRO 36 94.034 -0.303 -12.829
137 2HG PRO 36 HG1 PRO 36 94.567 0.034 -14.485
138 1HD PRO 36 HD2 PRO 36 95.202 1.612 -12.360
139 2HD PRO 36 HD1 PRO 36 95.045 2.231 -14.015
140 H HIS 37 HN HIS 37 91.777 2.933 -10.893
141 HA HIS 37 HA HIS 37 90.401 2.563 -9.105
142 1HB HIS 37 HB2 HIS 37 89.941 -0.303 -9.850
143 2HB HIS 37 HB1 HIS 37 88.951 0.763 -8.870
144 HD2 HIS 37 HD2 HIS 37 88.788 3.153 -11.212
145 HE1 HIS 37 HE1 HIS 37 86.764 0.085 -13.307
146 HE2 HIS 37 HE2 HIS 37 87.349 2.552 -13.285
147 H HIS 38 HN HIS 38 90.384 0.682 -7.330
148 HA HIS 38 HA HIS 38 93.102 -0.375 -7.122
149 1HB HIS 38 HB2 HIS 38 93.326 0.395 -4.805
150 2HB HIS 38 HB1 HIS 38 93.189 1.733 -5.936
151 HD1 HIS 38 HD1 HIS 38 91.123 3.254 -5.712
152 HD2 HIS 38 HD2 HIS 38 91.205 0.084 -3.035
153 HE1 HIS 38 HE1 HIS 38 89.322 3.743 -3.973
154 H ARG 39 HN ARG 39 90.001 -0.200 -5.394
155 HA ARG 39 HA ARG 39 88.937 -1.742 -4.083
156 1HB ARG 39 HB2 ARG 39 89.629 -3.589 -6.364
157 2HB ARG 39 HB1 ARG 39 88.227 -3.671 -5.307
158 1HG ARG 39 HG2 ARG 39 87.442 -1.525 -6.243
159 2HG ARG 39 HG1 ARG 39 88.807 -1.550 -7.363
160 1HD ARG 39 HD2 ARG 39 87.710 -4.033 -7.719
161 2HD ARG 39 HD1 ARG 39 86.287 -3.034 -7.430
162 HE ARG 39 HE ARG 39 87.948 -1.750 -9.295
163 1HH1 ARG 39 1HH1 ARG 39 85.872 -4.543 -9.031
164 2HH1 ARG 39 2HH1 ARG 39 85.477 -4.565 -10.716
165 1HH2 ARG 39 1HH2 ARG 39 87.429 -1.777 -11.514
166 2HH2 ARG 39 2HH2 ARG 39 86.361 -2.995 -12.126
167 H SER 40 HN SER 40 91.924 -1.617 -3.677
168 HA SER 40 HA SER 40 92.092 -3.960 -2.042
169 1HB SER 40 HB2 SER 40 94.105 -4.912 -3.094
170 2HB SER 40 HB1 SER 40 92.713 -4.947 -4.177
171 HG SER 40 HG SER 40 93.599 -2.895 -5.015
172 H LEU 41 HN LEU 41 92.540 -0.881 -2.069
173 HA LEU 41 HA LEU 41 93.700 0.512 -0.686
174 1HB LEU 41 HB2 LEU 41 95.478 -1.780 0.100
175 2HB LEU 41 HB1 LEU 41 95.174 -0.296 0.981
176 HG LEU 41 HG LEU 41 92.689 -1.648 0.595
177 1HD1 LEU 41 1HD1 LEU 41 94.700 -3.510 0.622
178 2HD1 LEU 41 2HD1 LEU 41 93.033 -3.797 1.117
179 3HD1 LEU 41 3HD1 LEU 41 94.256 -3.400 2.324
180 1HD2 LEU 41 1HD2 LEU 41 93.889 -0.089 2.482
181 2HD2 LEU 41 2HD2 LEU 41 93.892 -1.670 3.263
182 3HD2 LEU 41 3HD2 LEU 41 92.375 -0.963 2.705
183 H SER 42 HN SER 42 95.556 -1.673 -2.739
184 HA SER 42 HA SER 42 98.037 -0.647 -2.844
185 1HB SER 42 HB2 SER 42 98.100 -1.174 -5.250
186 2HB SER 42 HB1 SER 42 97.265 -2.433 -4.341
187 HG SER 42 HG SER 42 95.387 -1.845 -5.209
188 H GLY 43 HN GLY 43 95.134 0.940 -3.933
189 1HA GLY 43 HA2 GLY 43 96.709 3.341 -4.544
190 2HA GLY 43 HA1 GLY 43 95.274 2.897 -5.435
191 H CYS 44 HN CYS 44 93.289 2.926 -4.429
192 HA CYS 44 HA CYS 44 91.651 4.091 -3.313
193 1HB CYS 44 HB2 CYS 44 92.552 2.320 -1.654
194 2HB CYS 44 HB1 CYS 44 93.278 3.693 -0.821
195 HA PRO 45 HA PRO 45 93.491 8.195 -2.834
196 1HB PRO 45 HB2 PRO 45 91.572 9.579 -4.022
197 2HB PRO 45 HB1 PRO 45 92.598 8.495 -4.965
198 1HG PRO 45 HG2 PRO 45 89.792 8.115 -4.037
199 2HG PRO 45 HG1 PRO 45 90.556 7.589 -5.546
200 1HD PRO 45 HD2 PRO 45 90.135 6.025 -3.230
201 2HD PRO 45 HD1 PRO 45 91.129 5.590 -4.631
202 H HIS 46 HN HIS 46 91.241 6.788 -0.968
203 HA HIS 46 HA HIS 46 90.025 9.208 0.064
204 1HB HIS 46 HB2 HIS 46 89.664 6.384 1.045
205 2HB HIS 46 HB1 HIS 46 88.554 7.737 1.187
206 HD2 HIS 46 HD2 HIS 46 88.652 4.681 -0.713
207 HE1 HIS 46 HE1 HIS 46 87.132 7.478 -3.474
208 HE2 HIS 46 HE2 HIS 46 87.591 5.031 -3.043
209 H LYS 47 HN LYS 47 91.530 6.406 1.693
210 HA LYS 47 HA LYS 47 92.769 6.224 3.573
211 1HB LYS 47 HB2 LYS 47 94.784 7.578 3.647
212 2HB LYS 47 HB1 LYS 47 94.470 7.010 2.016
213 1HG LYS 47 HG2 LYS 47 93.870 9.129 1.263
214 2HG LYS 47 HG1 LYS 47 93.605 9.738 2.896
215 1HD LYS 47 HD2 LYS 47 95.645 10.684 2.207
216 2HD LYS 47 HD1 LYS 47 96.092 9.351 3.272
217 1HE LYS 47 HE2 LYS 47 97.246 8.367 1.647
218 2HE LYS 47 HE1 LYS 47 95.853 8.416 0.567
219 1HZ LYS 47 HZ1 LYS 47 97.473 9.651 -0.523
220 2HZ LYS 47 HZ2 LYS 47 98.002 10.415 0.890
221 3HZ LYS 47 HZ3 LYS 47 96.514 10.839 0.207
222 H ASP 48 HN ASP 48 90.575 6.956 4.587
223 HA ASP 48 HA ASP 48 91.371 9.031 6.514
224 1HB ASP 48 HB2 ASP 48 89.393 9.500 4.604
225 2HB ASP 48 HB1 ASP 48 88.508 9.094 6.064
226 H ARG 49 HN ARG 49 91.018 6.011 6.144
227 HA ARG 49 HA ARG 49 90.195 4.213 7.288
228 1HB ARG 49 HB2 ARG 49 90.832 4.183 9.585
229 2HB ARG 49 HB1 ARG 49 92.006 5.170 8.728
230 1HG ARG 49 HG2 ARG 49 91.488 7.011 9.891
231 2HG ARG 49 HG1 ARG 49 89.757 6.683 9.834
232 1HD ARG 49 HD2 ARG 49 89.771 5.804 11.879
233 2HD ARG 49 HD1 ARG 49 91.146 4.769 11.499
234 HE ARG 49 HE ARG 49 92.055 7.397 11.877
235 1HH1 ARG 49 1HH1 ARG 49 90.715 4.741 13.699
236 2HH1 ARG 49 2HH1 ARG 49 91.504 5.190 15.173
237 1HH2 ARG 49 1HH2 ARG 49 93.094 7.991 13.815
238 2HH2 ARG 49 2HH2 ARG 49 92.854 7.035 15.240
239 H VAL 50 HN VAL 50 88.082 5.806 6.432
240 HA VAL 50 HA VAL 50 86.132 5.213 8.552
241 HB VAL 50 HB VAL 50 84.758 7.172 7.617
242 1HG1 VAL 50 1HG1 VAL 50 85.789 8.734 9.178
243 2HG1 VAL 50 2HG1 VAL 50 87.242 7.736 9.231
244 3HG1 VAL 50 3HG1 VAL 50 85.718 7.109 9.861
245 1HG2 VAL 50 1HG2 VAL 50 85.643 8.369 5.970
246 2HG2 VAL 50 2HG2 VAL 50 87.144 7.452 6.068
247 3HG2 VAL 50 3HG2 VAL 50 86.919 8.882 7.071
248 HA PRO 51 HA PRO 51 83.524 2.731 6.089
249 1HB PRO 51 HB2 PRO 51 81.699 5.088 5.944
250 2HB PRO 51 HB1 PRO 51 81.337 3.404 6.321
251 1HG PRO 51 HG2 PRO 51 81.706 5.417 8.197
252 2HG PRO 51 HG1 PRO 51 81.805 3.680 8.521
253 1HD PRO 51 HD2 PRO 51 83.913 5.599 8.645
254 2HD PRO 51 HD1 PRO 51 84.036 3.844 8.863
255 HA PRO 52 HA PRO 52 83.399 5.197 2.079
256 1HB PRO 52 HB2 PRO 52 83.353 7.871 2.046
257 2HB PRO 52 HB1 PRO 52 81.942 6.919 2.516
258 1HG PRO 52 HG2 PRO 52 83.724 8.565 4.179
259 2HG PRO 52 HG1 PRO 52 82.075 8.014 4.507
260 1HD PRO 52 HD2 PRO 52 84.583 6.882 5.416
261 2HD PRO 52 HD1 PRO 52 82.933 6.426 5.874
262 H GLU 53 HN GLU 53 85.987 4.567 3.164
263 HA GLU 53 HA GLU 53 87.570 6.132 1.373
264 1HB GLU 53 HB2 GLU 53 88.377 5.940 4.264
265 2HB GLU 53 HB1 GLU 53 89.281 6.743 2.989
266 1HG GLU 53 HG2 GLU 53 86.507 7.608 3.712
267 2HG GLU 53 HG1 GLU 53 87.898 8.145 4.623
268 H ILE 54 HN ILE 54 89.155 4.404 3.878
269 HA ILE 54 HA ILE 54 89.623 2.109 2.110
270 HB ILE 54 HB ILE 54 91.843 2.849 3.920
271 1HG1 ILE 54 2HG1 ILE 54 91.080 4.534 1.544
272 2HG1 ILE 54 1HG1 ILE 54 91.531 5.042 3.159
273 1HG2 ILE 54 1HG2 ILE 54 91.633 0.908 2.207
274 2HG2 ILE 54 2HG2 ILE 54 93.165 1.758 2.388
275 3HG2 ILE 54 3HG2 ILE 54 92.105 2.134 1.031
276 1HD1 ILE 54 1HD1 ILE 54 93.824 4.502 2.762
277 2HD1 ILE 54 2HD1 ILE 54 93.245 5.494 1.425
278 3HD1 ILE 54 3HD1 ILE 54 93.429 3.753 1.215
279 H LEU 55 HN LEU 55 88.255 3.056 4.835
280 HA LEU 55 HA LEU 55 89.272 1.506 6.888
281 1HB LEU 55 HB2 LEU 55 87.631 3.185 7.336
282 2HB LEU 55 HB1 LEU 55 86.439 2.354 6.356
283 HG LEU 55 HG LEU 55 87.483 0.746 8.582
284 1HD1 LEU 55 1HD1 LEU 55 87.392 2.377 10.111
285 2HD1 LEU 55 2HD1 LEU 55 85.644 2.200 9.962
286 3HD1 LEU 55 3HD1 LEU 55 86.484 3.456 9.054
287 1HD2 LEU 55 1HD2 LEU 55 84.630 1.445 8.003
288 2HD2 LEU 55 2HD2 LEU 55 85.298 -0.035 8.692
289 3HD2 LEU 55 3HD2 LEU 55 85.514 0.315 6.978
290 H ALA 56 HN ALA 56 87.795 0.343 4.086
291 HA ALA 56 HA ALA 56 86.302 -1.817 4.728
292 1HB ALA 56 HB1 ALA 56 88.315 -2.494 2.723
293 2HB ALA 56 HB2 ALA 56 87.512 -0.950 2.449
294 3HB ALA 56 HB3 ALA 56 86.558 -2.425 2.595
295 H MET 57 HN MET 57 89.847 -1.995 4.425
296 HA MET 57 HA MET 57 90.031 -4.641 5.354
297 1HB MET 57 HB2 MET 57 92.013 -2.391 5.156
298 2HB MET 57 HB1 MET 57 92.464 -3.954 5.826
299 1HG MET 57 HG2 MET 57 91.079 -4.303 3.337
300 2HG MET 57 HG1 MET 57 92.426 -3.187 3.138
301 1HE MET 57 HE1 MET 57 94.581 -3.602 4.438
302 2HE MET 57 HE2 MET 57 95.490 -5.089 4.157
303 3HE MET 57 HE3 MET 57 94.519 -4.912 5.618
304 H HIS 58 HN HIS 58 89.539 -5.389 7.285
305 HA HIS 58 HA HIS 58 89.341 -3.671 9.579
306 1HB HIS 58 HB2 HIS 58 88.564 -6.411 8.871
307 2HB HIS 58 HB1 HIS 58 89.088 -6.236 10.542
308 HD2 HIS 58 HD2 HIS 58 87.088 -3.358 8.852
309 HE1 HIS 58 HE1 HIS 58 84.616 -5.288 11.694
310 HE2 HIS 58 HE2 HIS 58 84.758 -3.418 9.988
311 H GLU 59 HN GLU 59 91.585 -6.082 8.379
312 HA GLU 59 HA GLU 59 93.082 -6.482 10.718
313 1HB GLU 59 HB2 GLU 59 93.182 -7.801 8.539
314 2HB GLU 59 HB1 GLU 59 94.218 -6.521 7.925
315 1HG GLU 59 HG2 GLU 59 95.960 -7.073 9.322
316 2HG GLU 59 HG1 GLU 59 94.908 -7.863 10.495
317 H ASN 60 HN ASN 60 93.660 -4.272 7.987
318 HA ASN 60 HA ASN 60 95.046 -2.458 9.820
319 1HB ASN 60 HB2 ASN 60 96.266 -3.938 7.603
320 2HB ASN 60 HB1 ASN 60 96.535 -2.200 7.511
321 1HD2 ASN 60 1HD2 ASN 60 96.898 -1.351 9.954
322 2HD2 ASN 60 2HD2 ASN 60 98.214 -2.164 10.742
323 H VAL 61 HN VAL 61 93.345 -1.015 9.720
324 HA VAL 61 HA VAL 61 92.079 -0.194 7.326
325 HB VAL 61 HB VAL 61 91.248 1.735 8.690
326 1HG1 VAL 61 1HG1 VAL 61 90.174 0.122 10.475
327 2HG1 VAL 61 2HG1 VAL 61 90.929 -1.118 9.474
328 3HG1 VAL 61 3HG1 VAL 61 89.762 -0.003 8.763
329 1HG2 VAL 61 1HG2 VAL 61 92.033 2.242 10.741
330 2HG2 VAL 61 2HG2 VAL 61 93.474 1.392 10.186
331 3HG2 VAL 61 3HG2 VAL 61 92.282 0.553 11.179
332 H LEU 62 HN LEU 62 92.039 2.248 6.760
333 HA LEU 62 HA LEU 62 93.102 4.018 5.815
334 1HB LEU 62 HB2 LEU 62 93.776 4.505 8.111
335 2HB LEU 62 HB1 LEU 62 95.167 3.455 7.943
336 HG LEU 62 HG LEU 62 95.102 5.531 5.899
337 1HD1 LEU 62 1HD1 LEU 62 95.456 6.455 8.741
338 2HD1 LEU 62 2HD1 LEU 62 93.978 6.703 7.811
339 3HD1 LEU 62 3HD1 LEU 62 95.492 7.430 7.271
340 1HD2 LEU 62 1HD2 LEU 62 96.974 3.962 7.281
341 2HD2 LEU 62 2HD2 LEU 62 97.322 5.634 7.717
342 3HD2 LEU 62 3HD2 LEU 62 97.287 5.155 6.022
343 H LYS 63 HN LYS 63 96.067 2.302 6.737
344 HA LYS 63 HA LYS 63 97.043 2.440 4.040
345 1HB LYS 63 HB2 LYS 63 98.349 2.535 6.319
346 2HB LYS 63 HB1 LYS 63 98.353 0.784 6.161
347 1HG LYS 63 HG2 LYS 63 99.155 1.724 3.667
348 2HG LYS 63 HG1 LYS 63 99.983 2.756 4.834
349 1HD LYS 63 HD2 LYS 63 100.696 0.650 6.021
350 2HD LYS 63 HD1 LYS 63 100.072 -0.250 4.637
351 1HE LYS 63 HE2 LYS 63 101.650 1.682 3.468
352 2HE LYS 63 HE1 LYS 63 102.547 1.264 4.928
353 1HZ LYS 63 HZ1 LYS 63 101.503 -0.836 3.136
354 2HZ LYS 63 HZ2 LYS 63 102.763 -0.933 4.260
355 3HZ LYS 63 HZ3 LYS 63 102.982 -0.078 2.816
Start of MODEL 16
1 H ARG 16 HN ARG 16 96.580 -11.305 -3.673
2 HA ARG 16 HA ARG 16 94.585 -12.343 -3.334
3 1HB ARG 16 HB2 ARG 16 96.304 -14.218 -2.690
4 2HB ARG 16 HB1 ARG 16 95.726 -13.917 -1.057
5 1HG ARG 16 HG2 ARG 16 94.189 -15.461 -1.548
6 2HG ARG 16 HG1 ARG 16 93.385 -14.145 -2.408
7 1HD ARG 16 HD2 ARG 16 95.348 -15.237 -4.140
8 2HD ARG 16 HD1 ARG 16 94.438 -16.579 -3.447
9 HE ARG 16 HE ARG 16 92.631 -14.614 -4.294
10 1HH1 ARG 16 1HH1 ARG 16 94.886 -16.914 -5.634
11 2HH1 ARG 16 2HH1 ARG 16 94.011 -17.101 -7.115
12 1HH2 ARG 16 1HH2 ARG 16 91.473 -14.860 -6.238
13 2HH2 ARG 16 2HH2 ARG 16 92.070 -15.935 -7.459
14 H GLU 17 HN GLU 17 92.839 -11.533 -2.385
15 HA GLU 17 HA GLU 17 92.377 -11.311 0.354
16 1HB GLU 17 HB2 GLU 17 94.201 -9.422 -0.301
17 2HB GLU 17 HB1 GLU 17 92.720 -8.530 -0.607
18 1HG GLU 17 HG2 GLU 17 92.806 -8.012 1.555
19 2HG GLU 17 HG1 GLU 17 92.207 -9.648 1.825
20 H SER 18 HN SER 18 90.546 -9.543 0.746
21 HA SER 18 HA SER 18 88.556 -10.057 -1.324
22 1HB SER 18 HB2 SER 18 88.223 -8.829 1.424
23 2HB SER 18 HB1 SER 18 86.918 -9.309 0.339
24 HG SER 18 HG SER 18 88.888 -11.110 1.291
25 H LYS 19 HN LYS 19 90.781 -7.985 -1.461
26 HA LYS 19 HA LYS 19 91.107 -5.949 -2.322
27 1HB LYS 19 HB2 LYS 19 88.178 -5.777 -2.953
28 2HB LYS 19 HB1 LYS 19 89.533 -5.054 -3.815
29 1HG LYS 19 HG2 LYS 19 89.811 -7.913 -3.768
30 2HG LYS 19 HG1 LYS 19 88.215 -7.470 -4.374
31 1HD LYS 19 HD2 LYS 19 89.403 -5.852 -5.920
32 2HD LYS 19 HD1 LYS 19 90.906 -6.645 -5.442
33 1HE LYS 19 HE2 LYS 19 90.338 -8.636 -6.467
34 2HE LYS 19 HE1 LYS 19 88.610 -8.286 -6.415
35 1HZ LYS 19 HZ1 LYS 19 89.945 -8.105 -8.633
36 2HZ LYS 19 HZ2 LYS 19 90.342 -6.571 -8.043
37 3HZ LYS 19 HZ3 LYS 19 88.720 -6.990 -8.273
38 H CYS 20 HN CYS 20 90.443 -3.648 -2.156
39 HA CYS 20 HA CYS 20 90.100 -2.994 0.586
40 1HB CYS 20 HB2 CYS 20 91.607 -1.689 -0.778
41 2HB CYS 20 HB1 CYS 20 90.280 -1.206 -1.837
42 HA PRO 21 HA PRO 21 85.916 -1.093 -1.586
43 1HB PRO 21 HB2 PRO 21 85.283 -3.945 -2.235
44 2HB PRO 21 HB1 PRO 21 84.678 -2.466 -2.992
45 1HG PRO 21 HG2 PRO 21 86.650 -3.901 -4.105
46 2HG PRO 21 HG1 PRO 21 86.610 -2.133 -4.205
47 1HD PRO 21 HD2 PRO 21 88.409 -3.875 -2.677
48 2HD PRO 21 HD1 PRO 21 88.628 -2.189 -3.159
49 H THR 22 HN THR 22 86.110 -0.924 0.811
50 HA THR 22 HA THR 22 84.880 -2.991 2.407
51 HB THR 22 HB THR 22 85.059 -0.687 3.957
52 HG1 THR 22 HG1 THR 22 86.323 0.582 2.878
53 1HG2 THR 22 1HG2 THR 22 86.551 -3.164 3.695
54 2HG2 THR 22 2HG2 THR 22 86.061 -2.277 5.140
55 3HG2 THR 22 3HG2 THR 22 87.532 -1.819 4.281
56 HA PRO 23 HA PRO 23 80.650 -1.702 2.748
57 1HB PRO 23 HB2 PRO 23 80.564 -0.357 5.234
58 2HB PRO 23 HB1 PRO 23 80.182 -2.052 4.932
59 1HG PRO 23 HG2 PRO 23 82.695 -0.827 5.940
60 2HG PRO 23 HG1 PRO 23 81.976 -2.401 6.324
61 1HD PRO 23 HD2 PRO 23 84.108 -2.214 4.728
62 2HD PRO 23 HD1 PRO 23 82.823 -3.392 4.396
63 H GLY 24 HN GLY 24 83.155 0.639 3.286
64 1HA GLY 24 HA2 GLY 24 81.307 2.814 2.563
65 2HA GLY 24 HA1 GLY 24 82.833 3.027 3.406
66 H CYS 25 HN CYS 25 84.727 1.911 1.985
67 HA CYS 25 HA CYS 25 85.149 3.619 -0.153
68 1HB CYS 25 HB2 CYS 25 86.956 2.308 1.007
69 2HB CYS 25 HB1 CYS 25 86.412 0.885 0.113
70 H ASP 26 HN ASP 26 85.356 3.222 -2.424
71 HA ASP 26 HA ASP 26 83.229 1.458 -3.406
72 1HB ASP 26 HB2 ASP 26 83.278 3.937 -3.986
73 2HB ASP 26 HB1 ASP 26 84.700 3.586 -4.964
74 H GLY 27 HN GLY 27 86.625 2.312 -3.936
75 1HA GLY 27 HA2 GLY 27 88.364 0.900 -4.569
76 2HA GLY 27 HA1 GLY 27 87.195 -0.382 -4.800
77 H THR 28 HN THR 28 86.966 2.754 -6.203
78 HA THR 28 HA THR 28 87.777 1.781 -8.762
79 HB THR 28 HB THR 28 85.202 1.656 -8.160
80 HG1 THR 28 HG1 THR 28 85.015 1.243 -10.211
81 1HG2 THR 28 1HG2 THR 28 85.244 4.246 -7.871
82 2HG2 THR 28 2HG2 THR 28 83.878 3.439 -8.638
83 3HG2 THR 28 3HG2 THR 28 85.101 4.230 -9.629
84 H GLY 29 HN GLY 29 89.268 3.426 -7.219
85 1HA GLY 29 HA2 GLY 29 89.716 5.637 -8.900
86 2HA GLY 29 HA1 GLY 29 88.820 6.177 -7.489
87 H HIS 30 HN HIS 30 91.534 3.982 -8.120
88 HA HIS 30 HA HIS 30 93.084 3.648 -6.150
89 1HB HIS 30 HB2 HIS 30 93.556 3.993 -8.724
90 2HB HIS 30 HB1 HIS 30 94.508 5.316 -8.127
91 HD2 HIS 30 HD2 HIS 30 94.359 1.404 -7.842
92 HE1 HIS 30 HE1 HIS 30 98.290 2.732 -7.064
93 HE2 HIS 30 HE2 HIS 30 96.772 0.715 -7.216
94 H VAL 31 HN VAL 31 95.297 5.024 -5.722
95 HA VAL 31 HA VAL 31 94.661 6.817 -3.681
96 HB VAL 31 HB VAL 31 96.815 5.596 -3.887
97 1HG1 VAL 31 1HG1 VAL 31 96.961 6.818 -6.366
98 2HG1 VAL 31 2HG1 VAL 31 98.239 5.899 -5.572
99 3HG1 VAL 31 3HG1 VAL 31 98.180 7.654 -5.404
100 1HG2 VAL 31 1HG2 VAL 31 96.877 8.569 -3.414
101 2HG2 VAL 31 2HG2 VAL 31 98.224 7.495 -3.033
102 3HG2 VAL 31 3HG2 VAL 31 96.673 7.283 -2.223
103 H THR 32 HN THR 32 95.243 7.603 -7.075
104 HA THR 32 HA THR 32 94.567 10.364 -6.369
105 HB THR 32 HB THR 32 96.880 10.512 -6.791
106 HG1 THR 32 HG1 THR 32 96.649 12.044 -8.182
107 1HG2 THR 32 1HG2 THR 32 98.042 9.557 -8.651
108 2HG2 THR 32 2HG2 THR 32 96.541 8.905 -9.308
109 3HG2 THR 32 3HG2 THR 32 97.186 8.277 -7.794
110 H GLY 33 HN GLY 33 93.456 7.729 -7.794
111 1HA GLY 33 HA2 GLY 33 91.776 7.363 -9.296
112 2HA GLY 33 HA1 GLY 33 91.621 9.106 -9.412
113 H LEU 34 HN LEU 34 94.762 8.033 -9.931
114 HA LEU 34 HA LEU 34 94.503 8.606 -12.772
115 1HB LEU 34 HB2 LEU 34 96.985 8.217 -11.122
116 2HB LEU 34 HB1 LEU 34 96.928 8.744 -12.799
117 HG LEU 34 HG LEU 34 95.589 10.220 -10.578
118 1HD1 LEU 34 1HD1 LEU 34 97.904 11.595 -11.551
119 2HD1 LEU 34 2HD1 LEU 34 98.382 9.978 -11.035
120 3HD1 LEU 34 3HD1 LEU 34 97.561 11.054 -9.910
121 1HD2 LEU 34 1HD2 LEU 34 96.428 11.150 -13.317
122 2HD2 LEU 34 2HD2 LEU 34 95.471 12.043 -12.134
123 3HD2 LEU 34 3HD2 LEU 34 94.805 10.600 -12.900
124 H TYR 35 HN TYR 35 94.189 6.090 -10.841
125 HA TYR 35 HA TYR 35 95.387 4.188 -12.740
126 1HB TYR 35 HB2 TYR 35 94.714 3.655 -9.863
127 2HB TYR 35 HB1 TYR 35 95.538 2.562 -10.953
128 HD1 TYR 35 HD1 TYR 35 95.974 6.113 -9.937
129 HD2 TYR 35 HD2 TYR 35 97.767 2.304 -10.386
130 HE1 TYR 35 HE1 TYR 35 98.122 7.051 -9.192
131 HE2 TYR 35 HE2 TYR 35 99.924 3.217 -9.663
132 HH TYR 35 HH TYR 35 100.883 5.017 -8.553
133 HA PRO 36 HA PRO 36 91.288 2.794 -13.514
134 1HB PRO 36 HB2 PRO 36 91.621 0.161 -14.033
135 2HB PRO 36 HB1 PRO 36 92.160 1.422 -15.147
136 1HG PRO 36 HG2 PRO 36 93.747 -0.167 -13.174
137 2HG PRO 36 HG1 PRO 36 94.170 0.310 -14.828
138 1HD PRO 36 HD2 PRO 36 95.090 1.603 -12.605
139 2HD PRO 36 HD1 PRO 36 94.876 2.393 -14.179
140 H HIS 37 HN HIS 37 91.680 3.116 -10.784
141 HA HIS 37 HA HIS 37 90.359 2.566 -8.960
142 1HB HIS 37 HB2 HIS 37 90.172 -0.298 -9.854
143 2HB HIS 37 HB1 HIS 37 89.134 0.577 -8.747
144 HD2 HIS 37 HD2 HIS 37 88.314 3.061 -10.712
145 HE1 HIS 37 HE1 HIS 37 86.956 -0.030 -13.262
146 HE2 HIS 37 HE2 HIS 37 86.698 2.412 -12.633
147 H HIS 38 HN HIS 38 90.609 0.620 -7.273
148 HA HIS 38 HA HIS 38 93.433 -0.167 -7.251
149 1HB HIS 38 HB2 HIS 38 93.605 0.353 -4.823
150 2HB HIS 38 HB1 HIS 38 93.456 1.766 -5.854
151 HD1 HIS 38 HD1 HIS 38 91.311 3.204 -5.574
152 HD2 HIS 38 HD2 HIS 38 91.537 -0.104 -3.074
153 HE1 HIS 38 HE1 HIS 38 89.571 3.575 -3.756
154 H ARG 39 HN ARG 39 93.679 -2.212 -6.997
155 HA ARG 39 HA ARG 39 91.594 -4.008 -6.625
156 1HB ARG 39 HB2 ARG 39 94.573 -4.376 -6.347
157 2HB ARG 39 HB1 ARG 39 93.423 -5.705 -6.326
158 1HG ARG 39 HG2 ARG 39 93.746 -5.799 -8.527
159 2HG ARG 39 HG1 ARG 39 92.727 -4.361 -8.611
160 1HD ARG 39 HD2 ARG 39 94.450 -3.033 -9.156
161 2HD ARG 39 HD1 ARG 39 95.527 -3.792 -7.989
162 HE ARG 39 HE ARG 39 96.025 -5.477 -9.623
163 1HH1 ARG 39 1HH1 ARG 39 94.220 -2.744 -10.857
164 2HH1 ARG 39 2HH1 ARG 39 94.687 -3.030 -12.498
165 1HH2 ARG 39 1HH2 ARG 39 96.627 -5.841 -11.782
166 2HH2 ARG 39 2HH2 ARG 39 96.048 -4.782 -13.023
167 H SER 40 HN SER 40 93.652 -2.484 -4.216
168 HA SER 40 HA SER 40 91.998 -3.077 -2.089
169 1HB SER 40 HB2 SER 40 92.964 -5.459 -2.781
170 2HB SER 40 HB1 SER 40 94.307 -4.931 -1.775
171 HG SER 40 HG SER 40 92.534 -4.418 -0.194
172 H LEU 41 HN LEU 41 92.889 -0.819 -2.091
173 HA LEU 41 HA LEU 41 93.958 0.716 -0.777
174 1HB LEU 41 HB2 LEU 41 95.797 -1.374 0.324
175 2HB LEU 41 HB1 LEU 41 95.262 0.120 1.066
176 HG LEU 41 HG LEU 41 93.060 -1.726 0.528
177 1HD1 LEU 41 1HD1 LEU 41 95.411 -2.940 1.425
178 2HD1 LEU 41 2HD1 LEU 41 93.779 -3.601 1.482
179 3HD1 LEU 41 3HD1 LEU 41 94.423 -2.720 2.867
180 1HD2 LEU 41 1HD2 LEU 41 92.945 -1.239 3.132
181 2HD2 LEU 41 2HD2 LEU 41 92.430 -0.060 1.928
182 3HD2 LEU 41 3HD2 LEU 41 94.022 0.077 2.673
183 H SER 42 HN SER 42 95.578 -1.437 -2.896
184 HA SER 42 HA SER 42 98.170 -0.515 -2.947
185 1HB SER 42 HB2 SER 42 96.974 -0.821 -5.622
186 2HB SER 42 HB1 SER 42 98.341 -1.666 -4.894
187 HG SER 42 HG SER 42 96.791 -2.914 -3.716
188 H GLY 43 HN GLY 43 95.258 1.116 -3.758
189 1HA GLY 43 HA2 GLY 43 96.785 3.477 -4.571
190 2HA GLY 43 HA1 GLY 43 95.299 3.019 -5.375
191 H CYS 44 HN CYS 44 93.373 3.071 -4.279
192 HA CYS 44 HA CYS 44 91.812 4.257 -3.052
193 1HB CYS 44 HB2 CYS 44 92.912 2.409 -1.501
194 2HB CYS 44 HB1 CYS 44 93.473 3.817 -0.608
195 HA PRO 45 HA PRO 45 93.777 8.328 -2.441
196 1HB PRO 45 HB2 PRO 45 92.010 9.755 -3.725
197 2HB PRO 45 HB1 PRO 45 92.872 8.509 -4.636
198 1HG PRO 45 HG2 PRO 45 90.109 8.431 -3.488
199 2HG PRO 45 HG1 PRO 45 90.670 7.879 -5.071
200 1HD PRO 45 HD2 PRO 45 90.349 6.283 -2.772
201 2HD PRO 45 HD1 PRO 45 91.233 5.818 -4.236
202 H HIS 46 HN HIS 46 91.091 7.001 -0.991
203 HA HIS 46 HA HIS 46 89.853 9.349 -0.009
204 1HB HIS 46 HB2 HIS 46 89.523 6.579 1.111
205 2HB HIS 46 HB1 HIS 46 88.357 7.889 1.057
206 HD2 HIS 46 HD2 HIS 46 88.950 4.697 -0.660
207 HE1 HIS 46 HE1 HIS 46 87.020 7.102 -3.521
208 HE2 HIS 46 HE2 HIS 46 87.862 4.785 -2.994
209 H LYS 47 HN LYS 47 90.749 6.858 2.340
210 HA LYS 47 HA LYS 47 91.866 6.944 4.295
211 1HB LYS 47 HB2 LYS 47 93.607 7.922 2.499
212 2HB LYS 47 HB1 LYS 47 93.450 9.331 3.543
213 1HG LYS 47 HG2 LYS 47 94.184 8.113 5.438
214 2HG LYS 47 HG1 LYS 47 94.082 6.584 4.568
215 1HD LYS 47 HD2 LYS 47 95.789 8.476 3.192
216 2HD LYS 47 HD1 LYS 47 96.331 8.210 4.850
217 1HE LYS 47 HE2 LYS 47 96.926 6.070 4.450
218 2HE LYS 47 HE1 LYS 47 95.574 5.789 3.352
219 1HZ LYS 47 HZ1 LYS 47 98.274 6.638 2.775
220 2HZ LYS 47 HZ2 LYS 47 97.084 7.511 1.950
221 3HZ LYS 47 HZ3 LYS 47 97.159 5.829 1.792
222 H ASP 48 HN ASP 48 89.584 7.823 4.890
223 HA ASP 48 HA ASP 48 90.068 10.367 6.314
224 1HB ASP 48 HB2 ASP 48 88.467 10.461 4.234
225 2HB ASP 48 HB1 ASP 48 87.302 9.771 5.359
226 H ARG 49 HN ARG 49 89.334 7.141 6.552
227 HA ARG 49 HA ARG 49 88.633 5.814 8.275
228 1HB ARG 49 HB2 ARG 49 90.342 7.084 9.487
229 2HB ARG 49 HB1 ARG 49 89.151 8.308 9.898
230 1HG ARG 49 HG2 ARG 49 87.861 6.491 11.072
231 2HG ARG 49 HG1 ARG 49 89.278 5.468 10.848
232 1HD ARG 49 HD2 ARG 49 90.631 7.173 12.040
233 2HD ARG 49 HD1 ARG 49 89.150 8.072 12.358
234 HE ARG 49 HE ARG 49 89.921 5.504 13.531
235 1HH1 ARG 49 1HH1 ARG 49 87.630 8.139 13.335
236 2HH1 ARG 49 2HH1 ARG 49 86.801 7.683 14.783
237 1HH2 ARG 49 1HH2 ARG 49 88.818 4.906 15.426
238 2HH2 ARG 49 2HH2 ARG 49 87.472 5.852 15.969
239 H VAL 50 HN VAL 50 86.640 5.130 8.493
240 HA VAL 50 HA VAL 50 84.570 5.030 9.500
241 HB VAL 50 HB VAL 50 84.440 8.045 9.539
242 1HG1 VAL 50 1HG1 VAL 50 82.271 6.856 9.499
243 2HG1 VAL 50 2HG1 VAL 50 82.556 7.754 10.992
244 3HG1 VAL 50 3HG1 VAL 50 82.759 6.001 10.964
245 1HG2 VAL 50 1HG2 VAL 50 85.832 6.183 11.245
246 2HG2 VAL 50 2HG2 VAL 50 84.599 7.074 12.137
247 3HG2 VAL 50 3HG2 VAL 50 85.851 7.945 11.252
248 HA PRO 51 HA PRO 51 82.036 6.814 5.980
249 1HB PRO 51 HB2 PRO 51 82.963 8.900 4.468
250 2HB PRO 51 HB1 PRO 51 81.944 9.087 5.895
251 1HG PRO 51 HG2 PRO 51 84.829 9.588 5.557
252 2HG PRO 51 HG1 PRO 51 83.685 10.308 6.694
253 1HD PRO 51 HD2 PRO 51 85.571 8.331 7.275
254 2HD PRO 51 HD1 PRO 51 84.206 8.816 8.291
255 HA PRO 52 HA PRO 52 83.538 4.758 2.394
256 1HB PRO 52 HB2 PRO 52 83.034 7.137 0.670
257 2HB PRO 52 HB1 PRO 52 82.504 5.465 0.457
258 1HG PRO 52 HG2 PRO 52 80.796 7.319 1.288
259 2HG PRO 52 HG1 PRO 52 80.763 5.685 1.980
260 1HD PRO 52 HD2 PRO 52 81.832 8.218 3.142
261 2HD PRO 52 HD1 PRO 52 81.004 6.868 3.945
262 H GLU 53 HN GLU 53 85.769 4.645 2.864
263 HA GLU 53 HA GLU 53 87.389 6.283 1.194
264 1HB GLU 53 HB2 GLU 53 87.715 6.268 4.174
265 2HB GLU 53 HB1 GLU 53 88.976 6.807 3.074
266 1HG GLU 53 HG2 GLU 53 88.020 8.801 3.502
267 2HG GLU 53 HG1 GLU 53 87.004 8.315 2.153
268 H ILE 54 HN ILE 54 89.021 4.778 3.782
269 HA ILE 54 HA ILE 54 89.692 2.519 1.995
270 HB ILE 54 HB ILE 54 91.664 3.217 4.088
271 1HG1 ILE 54 2HG1 ILE 54 91.147 4.975 1.685
272 2HG1 ILE 54 1HG1 ILE 54 91.271 5.441 3.374
273 1HG2 ILE 54 1HG2 ILE 54 92.820 1.763 2.882
274 2HG2 ILE 54 2HG2 ILE 54 92.797 2.871 1.510
275 3HG2 ILE 54 3HG2 ILE 54 91.518 1.677 1.703
276 1HD1 ILE 54 1HD1 ILE 54 93.501 5.584 3.301
277 2HD1 ILE 54 2HD1 ILE 54 93.239 5.747 1.569
278 3HD1 ILE 54 3HD1 ILE 54 93.674 4.181 2.251
279 H LEU 55 HN LEU 55 88.467 3.486 4.982
280 HA LEU 55 HA LEU 55 88.119 2.426 7.013
281 1HB LEU 55 HB2 LEU 55 86.944 0.798 4.817
282 2HB LEU 55 HB1 LEU 55 86.853 0.174 6.454
283 HG LEU 55 HG LEU 55 85.746 2.818 5.501
284 1HD1 LEU 55 1HD1 LEU 55 84.076 1.503 4.804
285 2HD1 LEU 55 2HD1 LEU 55 83.675 1.371 6.515
286 3HD1 LEU 55 3HD1 LEU 55 84.641 0.119 5.738
287 1HD2 LEU 55 1HD2 LEU 55 85.785 3.464 7.622
288 2HD2 LEU 55 2HD2 LEU 55 86.467 1.919 8.127
289 3HD2 LEU 55 3HD2 LEU 55 84.717 2.117 8.020
290 H ALA 56 HN ALA 56 90.834 1.781 6.031
291 HA ALA 56 HA ALA 56 92.571 0.392 6.502
292 1HB ALA 56 HB1 ALA 56 91.589 -1.148 8.657
293 2HB ALA 56 HB2 ALA 56 90.903 0.467 8.793
294 3HB ALA 56 HB3 ALA 56 92.648 0.262 8.706
295 H MET 57 HN MET 57 89.818 -0.840 5.225
296 HA MET 57 HA MET 57 89.397 -2.737 4.051
297 1HB MET 57 HB2 MET 57 92.207 -2.635 4.199
298 2HB MET 57 HB1 MET 57 91.759 -4.291 4.579
299 1HG MET 57 HG2 MET 57 90.249 -3.317 2.341
300 2HG MET 57 HG1 MET 57 91.977 -3.129 2.057
301 1HE MET 57 HE1 MET 57 90.095 -6.010 4.162
302 2HE MET 57 HE2 MET 57 89.731 -7.067 2.799
303 3HE MET 57 HE3 MET 57 89.056 -5.438 2.859
304 H HIS 58 HN HIS 58 91.462 -3.864 6.738
305 HA HIS 58 HA HIS 58 89.302 -5.721 7.457
306 1HB HIS 58 HB2 HIS 58 91.035 -7.112 8.499
307 2HB HIS 58 HB1 HIS 58 91.371 -6.823 6.794
308 HD2 HIS 58 HD2 HIS 58 93.348 -4.668 6.429
309 HE1 HIS 58 HE1 HIS 58 95.164 -5.651 10.125
310 HE2 HIS 58 HE2 HIS 58 95.363 -4.263 8.011
311 H GLU 59 HN GLU 59 88.593 -5.949 9.490
312 HA GLU 59 HA GLU 59 87.771 -5.017 11.420
313 1HB GLU 59 HB2 GLU 59 90.677 -5.319 12.166
314 2HB GLU 59 HB1 GLU 59 89.286 -5.436 13.235
315 1HG GLU 59 HG2 GLU 59 88.792 -7.311 11.256
316 2HG GLU 59 HG1 GLU 59 90.521 -7.443 11.564
317 H ASN 60 HN ASN 60 90.947 -3.587 11.985
318 HA ASN 60 HA ASN 60 90.051 -1.251 13.076
319 1HB ASN 60 HB2 ASN 60 92.292 -0.284 12.405
320 2HB ASN 60 HB1 ASN 60 92.346 -1.796 13.305
321 1HD2 ASN 60 1HD2 ASN 60 92.928 -3.697 12.244
322 2HD2 ASN 60 2HD2 ASN 60 93.753 -3.671 10.718
323 H VAL 61 HN VAL 61 90.406 0.987 12.252
324 HA VAL 61 HA VAL 61 89.510 1.289 9.463
325 HB VAL 61 HB VAL 61 87.623 1.602 11.037
326 1HG1 VAL 61 1HG1 VAL 61 87.571 3.183 12.716
327 2HG1 VAL 61 2HG1 VAL 61 88.891 4.119 12.023
328 3HG1 VAL 61 3HG1 VAL 61 89.225 2.585 12.821
329 1HG2 VAL 61 1HG2 VAL 61 86.726 3.172 9.718
330 2HG2 VAL 61 2HG2 VAL 61 88.268 3.112 8.867
331 3HG2 VAL 61 3HG2 VAL 61 87.983 4.349 10.089
332 H LEU 62 HN LEU 62 90.102 3.338 8.475
333 HA LEU 62 HA LEU 62 91.348 5.229 8.149
334 1HB LEU 62 HB2 LEU 62 92.121 6.456 9.873
335 2HB LEU 62 HB1 LEU 62 91.161 5.338 10.815
336 HG LEU 62 HG LEU 62 93.530 4.021 10.794
337 1HD1 LEU 62 1HD1 LEU 62 94.121 6.693 9.917
338 2HD1 LEU 62 2HD1 LEU 62 95.202 5.314 10.114
339 3HD1 LEU 62 3HD1 LEU 62 94.876 6.383 11.480
340 1HD2 LEU 62 1HD2 LEU 62 92.534 6.151 12.676
341 2HD2 LEU 62 2HD2 LEU 62 93.903 5.099 13.039
342 3HD2 LEU 62 3HD2 LEU 62 92.300 4.407 12.791
343 H LYS 63 HN LYS 63 92.286 2.173 8.265
344 HA LYS 63 HA LYS 63 94.090 0.973 7.575
345 1HB LYS 63 HB2 LYS 63 93.696 2.382 5.563
346 2HB LYS 63 HB1 LYS 63 94.852 3.547 6.189
347 1HG LYS 63 HG2 LYS 63 95.797 2.066 4.461
348 2HG LYS 63 HG1 LYS 63 96.645 1.956 6.003
349 1HD LYS 63 HD2 LYS 63 95.212 -0.064 6.506
350 2HD LYS 63 HD1 LYS 63 94.673 0.002 4.827
351 1HE LYS 63 HE2 LYS 63 97.595 0.050 5.339
352 2HE LYS 63 HE1 LYS 63 96.747 -1.471 5.618
353 1HZ LYS 63 HZ1 LYS 63 95.900 -0.393 3.165
354 2HZ LYS 63 HZ2 LYS 63 96.742 -1.834 3.449
355 3HZ LYS 63 HZ3 LYS 63 97.593 -0.396 3.187
Start of MODEL 17
1 H ARG 16 HN ARG 16 95.316 -10.051 -5.593
2 HA ARG 16 HA ARG 16 95.355 -12.861 -4.971
3 1HB ARG 16 HB2 ARG 16 97.700 -12.401 -5.698
4 2HB ARG 16 HB1 ARG 16 97.833 -11.229 -4.394
5 1HG ARG 16 HG2 ARG 16 96.942 -13.919 -3.599
6 2HG ARG 16 HG1 ARG 16 98.597 -13.799 -4.196
7 1HD ARG 16 HD2 ARG 16 98.155 -11.619 -2.440
8 2HD ARG 16 HD1 ARG 16 97.559 -13.075 -1.643
9 HE ARG 16 HE ARG 16 100.029 -13.734 -2.668
10 1HH1 ARG 16 1HH1 ARG 16 98.773 -11.402 -0.395
11 2HH1 ARG 16 2HH1 ARG 16 100.227 -11.348 0.544
12 1HH2 ARG 16 1HH2 ARG 16 101.942 -13.663 -1.435
13 2HH2 ARG 16 2HH2 ARG 16 102.026 -12.632 -0.047
14 H GLU 17 HN GLU 17 96.069 -9.589 -3.793
15 HA GLU 17 HA GLU 17 95.440 -10.204 -1.076
16 1HB GLU 17 HB2 GLU 17 96.807 -8.195 -2.263
17 2HB GLU 17 HB1 GLU 17 95.268 -7.391 -1.983
18 1HG GLU 17 HG2 GLU 17 95.450 -8.128 0.415
19 2HG GLU 17 HG1 GLU 17 97.101 -8.627 0.051
20 H SER 18 HN SER 18 93.675 -9.206 0.144
21 HA SER 18 HA SER 18 91.159 -9.675 -1.088
22 1HB SER 18 HB2 SER 18 90.209 -9.260 1.023
23 2HB SER 18 HB1 SER 18 91.811 -9.891 1.407
24 HG SER 18 HG SER 18 90.748 -7.526 2.052
25 H LYS 19 HN LYS 19 89.365 -7.856 -0.630
26 HA LYS 19 HA LYS 19 90.192 -5.636 -2.268
27 1HB LYS 19 HB2 LYS 19 87.442 -6.075 -1.129
28 2HB LYS 19 HB1 LYS 19 87.898 -5.139 -2.548
29 1HG LYS 19 HG2 LYS 19 88.810 -7.698 -3.101
30 2HG LYS 19 HG1 LYS 19 87.254 -7.951 -2.308
31 1HD LYS 19 HD2 LYS 19 86.642 -5.921 -3.999
32 2HD LYS 19 HD1 LYS 19 87.878 -6.770 -4.933
33 1HE LYS 19 HE2 LYS 19 86.125 -8.012 -5.615
34 2HE LYS 19 HE1 LYS 19 86.400 -8.859 -4.093
35 1HZ LYS 19 HZ1 LYS 19 84.802 -6.927 -3.260
36 2HZ LYS 19 HZ2 LYS 19 84.220 -8.408 -3.833
37 3HZ LYS 19 HZ3 LYS 19 84.244 -7.059 -4.852
38 H CYS 20 HN CYS 20 88.751 -3.580 -1.558
39 HA CYS 20 HA CYS 20 90.133 -2.450 0.629
40 1HB CYS 20 HB2 CYS 20 88.370 -1.545 -1.447
41 2HB CYS 20 HB1 CYS 20 87.846 -0.870 0.092
42 HA PRO 21 HA PRO 21 88.103 -2.717 4.510
43 1HB PRO 21 HB2 PRO 21 86.477 -0.333 3.922
44 2HB PRO 21 HB1 PRO 21 87.554 -0.651 5.277
45 1HG PRO 21 HG2 PRO 21 88.115 0.789 2.869
46 2HG PRO 21 HG1 PRO 21 89.193 0.491 4.241
47 1HD PRO 21 HD2 PRO 21 89.570 -0.543 1.728
48 2HD PRO 21 HD1 PRO 21 90.205 -1.283 3.207
49 H THR 22 HN THR 22 85.590 -1.176 2.597
50 HA THR 22 HA THR 22 84.076 -3.618 2.373
51 HB THR 22 HB THR 22 83.962 -2.665 4.832
52 HG1 THR 22 HG1 THR 22 81.998 -3.683 5.049
53 1HG2 THR 22 1HG2 THR 22 82.937 -0.472 3.709
54 2HG2 THR 22 2HG2 THR 22 82.538 -1.019 5.338
55 3HG2 THR 22 3HG2 THR 22 81.454 -1.387 3.997
56 HA PRO 23 HA PRO 23 81.640 -1.701 -0.790
57 1HB PRO 23 HB2 PRO 23 79.303 -1.448 1.068
58 2HB PRO 23 HB1 PRO 23 79.355 -2.053 -0.593
59 1HG PRO 23 HG2 PRO 23 79.212 -3.759 1.428
60 2HG PRO 23 HG1 PRO 23 80.266 -4.100 0.043
61 1HD PRO 23 HD2 PRO 23 80.974 -3.168 2.784
62 2HD PRO 23 HD1 PRO 23 81.866 -4.255 1.699
63 H GLY 24 HN GLY 24 81.522 -0.290 2.402
64 1HA GLY 24 HA2 GLY 24 80.527 2.224 1.986
65 2HA GLY 24 HA1 GLY 24 81.856 1.878 3.087
66 H CYS 25 HN CYS 25 83.988 1.309 1.646
67 HA CYS 25 HA CYS 25 84.788 3.753 0.534
68 1HB CYS 25 HB2 CYS 25 86.467 2.061 1.342
69 2HB CYS 25 HB1 CYS 25 86.038 1.059 -0.082
70 H ASP 26 HN ASP 26 85.313 4.247 -1.759
71 HA ASP 26 HA ASP 26 83.092 3.452 -3.411
72 1HB ASP 26 HB2 ASP 26 84.128 5.814 -3.171
73 2HB ASP 26 HB1 ASP 26 85.352 5.227 -4.292
74 H GLY 27 HN GLY 27 86.602 3.051 -3.395
75 1HA GLY 27 HA2 GLY 27 87.899 1.481 -4.497
76 2HA GLY 27 HA1 GLY 27 86.414 0.673 -4.947
77 H THR 28 HN THR 28 87.451 3.916 -5.618
78 HA THR 28 HA THR 28 87.901 3.347 -8.388
79 HB THR 28 HB THR 28 85.408 4.323 -7.458
80 HG1 THR 28 HG1 THR 28 85.741 2.949 -9.245
81 1HG2 THR 28 1HG2 THR 28 85.063 6.318 -8.751
82 2HG2 THR 28 2HG2 THR 28 86.747 6.307 -9.275
83 3HG2 THR 28 3HG2 THR 28 86.354 6.589 -7.579
84 H GLY 29 HN GLY 29 89.425 4.636 -9.267
85 1HA GLY 29 HA2 GLY 29 90.696 6.565 -9.585
86 2HA GLY 29 HA1 GLY 29 89.970 7.264 -8.148
87 H HIS 30 HN HIS 30 91.342 4.079 -8.050
88 HA HIS 30 HA HIS 30 92.843 3.317 -6.405
89 1HB HIS 30 HB2 HIS 30 93.659 3.683 -8.858
90 2HB HIS 30 HB1 HIS 30 94.801 4.753 -8.114
91 HD2 HIS 30 HD2 HIS 30 93.748 0.964 -7.808
92 HE1 HIS 30 HE1 HIS 30 97.912 1.366 -7.206
93 HE2 HIS 30 HE2 HIS 30 96.016 -0.261 -7.592
94 H VAL 31 HN VAL 31 95.453 4.430 -5.950
95 HA VAL 31 HA VAL 31 94.842 6.103 -3.727
96 HB VAL 31 HB VAL 31 96.758 4.554 -3.708
97 1HG1 VAL 31 1HG1 VAL 31 98.488 6.387 -5.226
98 2HG1 VAL 31 2HG1 VAL 31 97.330 5.459 -6.180
99 3HG1 VAL 31 3HG1 VAL 31 98.491 4.625 -5.144
100 1HG2 VAL 31 1HG2 VAL 31 96.571 6.897 -2.453
101 2HG2 VAL 31 2HG2 VAL 31 98.041 7.201 -3.377
102 3HG2 VAL 31 3HG2 VAL 31 97.964 5.832 -2.268
103 H THR 32 HN THR 32 96.035 6.834 -6.986
104 HA THR 32 HA THR 32 95.811 9.675 -6.250
105 HB THR 32 HB THR 32 98.130 9.337 -6.472
106 HG1 THR 32 HG1 THR 32 97.550 11.115 -7.663
107 1HG2 THR 32 1HG2 THR 32 98.050 7.109 -7.527
108 2HG2 THR 32 2HG2 THR 32 99.225 8.193 -8.269
109 3HG2 THR 32 3HG2 THR 32 97.683 7.885 -9.066
110 H GLY 33 HN GLY 33 94.030 7.612 -7.663
111 1HA GLY 33 HA2 GLY 33 92.490 7.662 -9.356
112 2HA GLY 33 HA1 GLY 33 92.836 9.376 -9.450
113 H LEU 34 HN LEU 34 95.562 7.418 -9.861
114 HA LEU 34 HA LEU 34 95.569 8.062 -12.704
115 1HB LEU 34 HB2 LEU 34 97.812 7.011 -11.000
116 2HB LEU 34 HB1 LEU 34 97.939 7.575 -12.660
117 HG LEU 34 HG LEU 34 96.928 9.320 -10.471
118 1HD1 LEU 34 1HD1 LEU 34 99.742 9.571 -11.405
119 2HD1 LEU 34 2HD1 LEU 34 99.372 8.294 -10.249
120 3HD1 LEU 34 3HD1 LEU 34 99.036 9.977 -9.843
121 1HD2 LEU 34 1HD2 LEU 34 98.404 10.303 -12.851
122 2HD2 LEU 34 2HD2 LEU 34 97.075 11.041 -11.958
123 3HD2 LEU 34 3HD2 LEU 34 96.756 9.717 -13.078
124 H TYR 35 HN TYR 35 94.514 5.656 -10.831
125 HA TYR 35 HA TYR 35 95.279 3.607 -12.815
126 1HB TYR 35 HB2 TYR 35 94.599 3.128 -9.927
127 2HB TYR 35 HB1 TYR 35 95.131 1.919 -11.077
128 HD1 TYR 35 HD1 TYR 35 96.393 5.295 -10.097
129 HD2 TYR 35 HD2 TYR 35 97.254 1.162 -10.512
130 HE1 TYR 35 HE1 TYR 35 98.715 5.725 -9.431
131 HE2 TYR 35 HE2 TYR 35 99.582 1.576 -9.858
132 HH TYR 35 HH TYR 35 100.630 4.105 -8.296
133 HA PRO 36 HA PRO 36 90.977 3.128 -13.592
134 1HB PRO 36 HB2 PRO 36 91.213 0.225 -13.818
135 2HB PRO 36 HB1 PRO 36 90.917 1.417 -15.085
136 1HG PRO 36 HG2 PRO 36 93.244 0.042 -14.879
137 2HG PRO 36 HG1 PRO 36 93.151 1.684 -15.539
138 1HD PRO 36 HD2 PRO 36 94.008 0.780 -12.816
139 2HD PRO 36 HD1 PRO 36 94.698 2.047 -13.852
140 H HIS 37 HN HIS 37 91.571 3.239 -10.808
141 HA HIS 37 HA HIS 37 90.142 3.005 -8.984
142 1HB HIS 37 HB2 HIS 37 89.251 0.299 -9.971
143 2HB HIS 37 HB1 HIS 37 88.502 1.327 -8.763
144 HD2 HIS 37 HD2 HIS 37 88.337 4.036 -10.694
145 HE1 HIS 37 HE1 HIS 37 85.910 1.495 -13.047
146 HE2 HIS 37 HE2 HIS 37 86.690 3.880 -12.688
147 H HIS 38 HN HIS 38 89.939 0.920 -7.404
148 HA HIS 38 HA HIS 38 92.482 -0.499 -7.421
149 1HB HIS 38 HB2 HIS 38 92.858 0.031 -5.034
150 2HB HIS 38 HB1 HIS 38 92.929 1.459 -6.059
151 HD1 HIS 38 HD1 HIS 38 91.167 3.278 -5.661
152 HD2 HIS 38 HD2 HIS 38 90.657 -0.125 -3.346
153 HE1 HIS 38 HE1 HIS 38 89.395 3.857 -3.912
154 H ARG 39 HN ARG 39 89.431 0.023 -5.723
155 HA ARG 39 HA ARG 39 88.081 -1.378 -4.535
156 1HB ARG 39 HB2 ARG 39 87.991 -1.936 -7.174
157 2HB ARG 39 HB1 ARG 39 88.422 -3.519 -6.541
158 1HG ARG 39 HG2 ARG 39 86.393 -3.859 -5.659
159 2HG ARG 39 HG1 ARG 39 86.246 -2.193 -5.099
160 1HD ARG 39 HD2 ARG 39 86.157 -2.103 -7.911
161 2HD ARG 39 HD1 ARG 39 85.111 -3.435 -7.421
162 HE ARG 39 HE ARG 39 84.546 -1.213 -5.810
163 1HH1 ARG 39 1HH1 ARG 39 84.220 -2.245 -9.129
164 2HH1 ARG 39 2HH1 ARG 39 82.822 -1.268 -9.426
165 1HH2 ARG 39 1HH2 ARG 39 82.706 0.072 -6.200
166 2HH2 ARG 39 2HH2 ARG 39 81.961 0.047 -7.764
167 H SER 40 HN SER 40 91.077 -1.776 -4.049
168 HA SER 40 HA SER 40 90.743 -4.070 -2.398
169 1HB SER 40 HB2 SER 40 92.294 -5.572 -3.380
170 2HB SER 40 HB1 SER 40 91.200 -5.059 -4.664
171 HG SER 40 HG SER 40 93.807 -4.055 -4.160
172 H LEU 41 HN LEU 41 91.855 -1.148 -2.455
173 HA LEU 41 HA LEU 41 93.264 -0.058 -1.041
174 1HB LEU 41 HB2 LEU 41 94.600 -2.616 -0.248
175 2HB LEU 41 HB1 LEU 41 94.394 -1.145 0.683
176 HG LEU 41 HG LEU 41 91.809 -2.201 0.064
177 1HD1 LEU 41 1HD1 LEU 41 92.299 -4.398 -0.041
178 2HD1 LEU 41 2HD1 LEU 41 92.363 -4.252 1.715
179 3HD1 LEU 41 3HD1 LEU 41 93.852 -4.201 0.770
180 1HD2 LEU 41 1HD2 LEU 41 92.143 -0.768 1.915
181 2HD2 LEU 41 2HD2 LEU 41 93.389 -1.821 2.583
182 3HD2 LEU 41 3HD2 LEU 41 91.709 -2.350 2.565
183 H SER 42 HN SER 42 94.181 -1.977 -3.625
184 HA SER 42 HA SER 42 96.952 -1.832 -3.668
185 1HB SER 42 HB2 SER 42 94.856 -1.846 -5.819
186 2HB SER 42 HB1 SER 42 96.547 -1.599 -6.250
187 HG SER 42 HG SER 42 95.721 -3.757 -4.625
188 H GLY 43 HN GLY 43 94.581 0.646 -3.931
189 1HA GLY 43 HA2 GLY 43 96.667 2.650 -4.132
190 2HA GLY 43 HA1 GLY 43 95.387 2.697 -5.316
191 H CYS 44 HN CYS 44 93.192 2.681 -4.452
192 HA CYS 44 HA CYS 44 91.551 3.811 -3.305
193 1HB CYS 44 HB2 CYS 44 92.432 2.040 -1.633
194 2HB CYS 44 HB1 CYS 44 93.154 3.414 -0.803
195 HA PRO 45 HA PRO 45 93.460 7.895 -2.829
196 1HB PRO 45 HB2 PRO 45 91.676 9.275 -4.216
197 2HB PRO 45 HB1 PRO 45 92.746 8.129 -5.030
198 1HG PRO 45 HG2 PRO 45 89.856 7.882 -4.368
199 2HG PRO 45 HG1 PRO 45 90.756 7.203 -5.733
200 1HD PRO 45 HD2 PRO 45 90.049 5.895 -3.297
201 2HD PRO 45 HD1 PRO 45 91.051 5.253 -4.610
202 H HIS 46 HN HIS 46 91.658 6.793 -0.677
203 HA HIS 46 HA HIS 46 90.328 9.331 0.001
204 1HB HIS 46 HB2 HIS 46 89.452 6.669 1.063
205 2HB HIS 46 HB1 HIS 46 88.552 8.177 0.973
206 HD2 HIS 46 HD2 HIS 46 88.862 4.944 -0.811
207 HE1 HIS 46 HE1 HIS 46 87.215 7.632 -3.614
208 HE2 HIS 46 HE2 HIS 46 87.506 5.194 -3.005
209 H LYS 47 HN LYS 47 90.499 6.782 2.434
210 HA LYS 47 HA LYS 47 91.688 6.595 4.356
211 1HB LYS 47 HB2 LYS 47 93.550 7.871 2.584
212 2HB LYS 47 HB1 LYS 47 93.698 8.589 4.181
213 1HG LYS 47 HG2 LYS 47 94.324 6.586 5.157
214 2HG LYS 47 HG1 LYS 47 93.662 5.619 3.848
215 1HD LYS 47 HD2 LYS 47 95.501 7.069 2.503
216 2HD LYS 47 HD1 LYS 47 96.277 6.959 4.084
217 1HE LYS 47 HE2 LYS 47 95.154 4.422 3.216
218 2HE LYS 47 HE1 LYS 47 96.347 5.053 2.081
219 1HZ LYS 47 HZ1 LYS 47 97.862 5.331 4.014
220 2HZ LYS 47 HZ2 LYS 47 97.473 3.720 3.675
221 3HZ LYS 47 HZ3 LYS 47 96.733 4.513 4.973
222 H ASP 48 HN ASP 48 89.586 7.631 4.976
223 HA ASP 48 HA ASP 48 90.197 10.124 6.421
224 1HB ASP 48 HB2 ASP 48 88.901 10.607 4.312
225 2HB ASP 48 HB1 ASP 48 87.576 9.674 4.997
226 H ARG 49 HN ARG 49 89.597 7.056 6.819
227 HA ARG 49 HA ARG 49 88.671 5.762 8.456
228 1HB ARG 49 HB2 ARG 49 89.919 7.418 9.862
229 2HB ARG 49 HB1 ARG 49 88.427 8.329 10.025
230 1HG ARG 49 HG2 ARG 49 87.373 6.416 11.120
231 2HG ARG 49 HG1 ARG 49 88.865 5.495 10.944
232 1HD ARG 49 HD2 ARG 49 89.709 6.401 12.789
233 2HD ARG 49 HD1 ARG 49 89.402 8.030 12.187
234 HE ARG 49 HE ARG 49 87.586 8.134 13.561
235 1HH1 ARG 49 1HH1 ARG 49 88.417 4.776 13.100
236 2HH1 ARG 49 2HH1 ARG 49 87.239 4.201 14.232
237 1HH2 ARG 49 1HH2 ARG 49 86.037 7.379 15.050
238 2HH2 ARG 49 2HH2 ARG 49 85.889 5.677 15.340
239 H VAL 50 HN VAL 50 86.902 6.497 6.523
240 HA VAL 50 HA VAL 50 84.396 6.403 8.014
241 HB VAL 50 HB VAL 50 83.908 7.932 5.626
242 1HG1 VAL 50 1HG1 VAL 50 82.259 8.325 7.088
243 2HG1 VAL 50 2HG1 VAL 50 83.326 9.581 7.718
244 3HG1 VAL 50 3HG1 VAL 50 83.286 7.991 8.482
245 1HG2 VAL 50 1HG2 VAL 50 85.666 9.434 7.542
246 2HG2 VAL 50 2HG2 VAL 50 85.109 9.920 5.941
247 3HG2 VAL 50 3HG2 VAL 50 86.318 8.647 6.104
248 HA PRO 51 HA PRO 51 83.174 3.008 5.529
249 1HB PRO 51 HB2 PRO 51 81.015 4.382 4.173
250 2HB PRO 51 HB1 PRO 51 80.927 3.131 5.410
251 1HG PRO 51 HG2 PRO 51 80.724 6.048 5.695
252 2HG PRO 51 HG1 PRO 51 80.188 4.771 6.799
253 1HD PRO 51 HD2 PRO 51 82.291 6.362 7.363
254 2HD PRO 51 HD1 PRO 51 82.244 4.660 7.865
255 HA PRO 52 HA PRO 52 83.592 4.733 1.105
256 1HB PRO 52 HB2 PRO 52 83.286 7.322 0.554
257 2HB PRO 52 HB1 PRO 52 81.888 6.272 0.820
258 1HG PRO 52 HG2 PRO 52 83.210 8.176 2.720
259 2HG PRO 52 HG1 PRO 52 81.481 7.942 2.400
260 1HD PRO 52 HD2 PRO 52 82.788 6.823 4.525
261 2HD PRO 52 HD1 PRO 52 81.351 6.113 3.769
262 H GLU 53 HN GLU 53 85.848 4.309 2.387
263 HA GLU 53 HA GLU 53 87.703 6.080 1.193
264 1HB GLU 53 HB2 GLU 53 87.276 6.158 4.158
265 2HB GLU 53 HB1 GLU 53 88.851 6.531 3.472
266 1HG GLU 53 HG2 GLU 53 88.102 8.630 3.416
267 2HG GLU 53 HG1 GLU 53 87.234 8.116 1.974
268 H ILE 54 HN ILE 54 88.718 4.678 4.109
269 HA ILE 54 HA ILE 54 89.398 2.092 3.176
270 HB ILE 54 HB ILE 54 91.985 3.030 3.822
271 1HG1 ILE 54 2HG1 ILE 54 90.717 4.658 1.614
272 2HG1 ILE 54 1HG1 ILE 54 91.323 5.268 3.143
273 1HG2 ILE 54 1HG2 ILE 54 90.653 1.795 1.467
274 2HG2 ILE 54 2HG2 ILE 54 91.906 1.151 2.525
275 3HG2 ILE 54 3HG2 ILE 54 92.316 2.361 1.310
276 1HD1 ILE 54 1HD1 ILE 54 92.752 4.587 0.692
277 2HD1 ILE 54 2HD1 ILE 54 93.515 4.005 2.170
278 3HD1 ILE 54 3HD1 ILE 54 93.165 5.721 1.972
279 H LEU 55 HN LEU 55 88.126 3.467 5.351
280 HA LEU 55 HA LEU 55 89.521 3.725 7.670
281 1HB LEU 55 HB2 LEU 55 87.496 3.403 8.865
282 2HB LEU 55 HB1 LEU 55 87.082 4.167 7.342
283 HG LEU 55 HG LEU 55 86.847 1.197 7.790
284 1HD1 LEU 55 1HD1 LEU 55 85.202 1.709 9.220
285 2HD1 LEU 55 2HD1 LEU 55 84.292 2.116 7.766
286 3HD1 LEU 55 3HD1 LEU 55 85.112 3.384 8.677
287 1HD2 LEU 55 1HD2 LEU 55 86.711 1.390 5.535
288 2HD2 LEU 55 2HD2 LEU 55 86.213 3.080 5.600
289 3HD2 LEU 55 3HD2 LEU 55 85.039 1.804 5.915
290 H ALA 56 HN ALA 56 88.598 0.816 6.091
291 HA ALA 56 HA ALA 56 89.935 -0.723 8.166
292 1HB ALA 56 HB1 ALA 56 88.308 -2.239 8.171
293 2HB ALA 56 HB2 ALA 56 88.293 -2.332 6.410
294 3HB ALA 56 HB3 ALA 56 87.366 -1.080 7.234
295 H MET 57 HN MET 57 91.801 0.165 6.807
296 HA MET 57 HA MET 57 92.277 -1.333 4.360
297 1HB MET 57 HB2 MET 57 92.879 1.157 4.791
298 2HB MET 57 HB1 MET 57 94.262 0.510 5.663
299 1HG MET 57 HG2 MET 57 94.777 -0.794 3.530
300 2HG MET 57 HG1 MET 57 93.614 0.268 2.741
301 1HE MET 57 HE1 MET 57 97.871 1.111 3.967
302 2HE MET 57 HE2 MET 57 96.932 -0.369 4.148
303 3HE MET 57 HE3 MET 57 96.799 0.912 5.354
304 H HIS 58 HN HIS 58 94.183 -2.627 4.053
305 HA HIS 58 HA HIS 58 94.602 -4.572 5.962
306 1HB HIS 58 HB2 HIS 58 95.838 -3.799 3.428
307 2HB HIS 58 HB1 HIS 58 96.962 -4.591 4.527
308 HD2 HIS 58 HD2 HIS 58 93.421 -5.390 2.977
309 HE1 HIS 58 HE1 HIS 58 95.556 -8.973 3.689
310 HE2 HIS 58 HE2 HIS 58 93.509 -7.954 2.596
311 H GLU 59 HN GLU 59 96.035 -1.423 5.745
312 HA GLU 59 HA GLU 59 97.791 -2.125 8.001
313 1HB GLU 59 HB2 GLU 59 98.794 -1.464 5.645
314 2HB GLU 59 HB1 GLU 59 98.479 0.167 6.222
315 1HG GLU 59 HG2 GLU 59 100.554 -0.020 7.054
316 2HG GLU 59 HG1 GLU 59 99.721 -0.841 8.374
317 H ASN 60 HN ASN 60 96.226 -1.512 9.512
318 HA ASN 60 HA ASN 60 95.226 -0.111 10.987
319 1HB ASN 60 HB2 ASN 60 96.976 2.056 9.828
320 2HB ASN 60 HB1 ASN 60 96.276 1.991 11.444
321 1HD2 ASN 60 1HD2 ASN 60 99.091 1.983 10.157
322 2HD2 ASN 60 2HD2 ASN 60 99.923 0.759 11.067
323 H VAL 61 HN VAL 61 93.799 1.703 11.264
324 HA VAL 61 HA VAL 61 92.185 2.196 8.883
325 HB VAL 61 HB VAL 61 90.904 1.482 10.755
326 1HG1 VAL 61 1HG1 VAL 61 92.501 3.488 12.311
327 2HG1 VAL 61 2HG1 VAL 61 92.315 1.758 12.596
328 3HG1 VAL 61 3HG1 VAL 61 90.969 2.855 12.913
329 1HG2 VAL 61 1HG2 VAL 61 89.293 3.134 10.906
330 2HG2 VAL 61 2HG2 VAL 61 90.161 3.601 9.445
331 3HG2 VAL 61 3HG2 VAL 61 90.483 4.434 10.964
332 H LEU 62 HN LEU 62 91.534 4.351 8.218
333 HA LEU 62 HA LEU 62 91.915 6.582 7.824
334 1HB LEU 62 HB2 LEU 62 91.505 6.541 10.394
335 2HB LEU 62 HB1 LEU 62 93.231 6.814 10.510
336 HG LEU 62 HG LEU 62 91.530 8.645 8.856
337 1HD1 LEU 62 1HD1 LEU 62 91.886 9.932 11.273
338 2HD1 LEU 62 2HD1 LEU 62 91.406 8.299 11.736
339 3HD1 LEU 62 3HD1 LEU 62 90.379 9.251 10.664
340 1HD2 LEU 62 1HD2 LEU 62 93.437 10.138 10.050
341 2HD2 LEU 62 2HD2 LEU 62 93.633 9.355 8.483
342 3HD2 LEU 62 3HD2 LEU 62 94.264 8.584 9.938
343 H LYS 63 HN LYS 63 93.516 7.982 7.074
344 HA LYS 63 HA LYS 63 95.468 8.217 5.857
345 1HB LYS 63 HB2 LYS 63 95.713 8.841 8.604
346 2HB LYS 63 HB1 LYS 63 97.240 8.127 8.107
347 1HG LYS 63 HG2 LYS 63 97.749 10.213 7.481
348 2HG LYS 63 HG1 LYS 63 96.783 9.833 6.054
349 1HD LYS 63 HD2 LYS 63 95.199 10.759 8.331
350 2HD LYS 63 HD1 LYS 63 96.363 11.950 7.746
351 1HE LYS 63 HE2 LYS 63 94.282 10.528 6.090
352 2HE LYS 63 HE1 LYS 63 94.213 12.206 6.626
353 1HZ LYS 63 HZ1 LYS 63 96.584 12.121 5.372
354 2HZ LYS 63 HZ2 LYS 63 95.138 12.611 4.643
355 3HZ LYS 63 HZ3 LYS 63 95.691 11.025 4.443
Start of MODEL 18
1 H ARG 16 HN ARG 16 93.702 -11.703 -7.921
2 HA ARG 16 HA ARG 16 92.227 -10.192 -9.781
3 1HB ARG 16 HB2 ARG 16 92.044 -12.863 -8.555
4 2HB ARG 16 HB1 ARG 16 90.503 -12.190 -9.067
5 1HG ARG 16 HG2 ARG 16 92.643 -11.926 -11.046
6 2HG ARG 16 HG1 ARG 16 92.207 -13.590 -10.655
7 1HD ARG 16 HD2 ARG 16 90.299 -11.421 -11.527
8 2HD ARG 16 HD1 ARG 16 90.903 -12.726 -12.542
9 HE ARG 16 HE ARG 16 89.585 -14.256 -11.330
10 1HH1 ARG 16 1HH1 ARG 16 89.124 -10.964 -10.241
11 2HH1 ARG 16 2HH1 ARG 16 87.633 -11.314 -9.433
12 1HH2 ARG 16 1HH2 ARG 16 87.628 -14.706 -10.263
13 2HH2 ARG 16 2HH2 ARG 16 86.786 -13.433 -9.443
14 H GLU 17 HN GLU 17 91.013 -11.518 -6.700
15 HA GLU 17 HA GLU 17 88.793 -9.744 -6.631
16 1HB GLU 17 HB2 GLU 17 89.681 -12.036 -5.200
17 2HB GLU 17 HB1 GLU 17 89.344 -10.771 -4.026
18 1HG GLU 17 HG2 GLU 17 87.102 -10.577 -4.733
19 2HG GLU 17 HG1 GLU 17 87.400 -11.539 -6.181
20 H SER 18 HN SER 18 88.345 -8.114 -5.047
21 HA SER 18 HA SER 18 90.672 -6.458 -4.520
22 1HB SER 18 HB2 SER 18 88.744 -4.913 -3.635
23 2HB SER 18 HB1 SER 18 88.965 -5.148 -5.366
24 HG SER 18 HG SER 18 86.849 -5.534 -5.057
25 H LYS 19 HN LYS 19 90.814 -5.293 -2.381
26 HA LYS 19 HA LYS 19 89.967 -7.037 -0.180
27 1HB LYS 19 HB2 LYS 19 92.700 -5.927 -0.706
28 2HB LYS 19 HB1 LYS 19 92.205 -6.409 0.910
29 1HG LYS 19 HG2 LYS 19 93.202 -8.329 0.212
30 2HG LYS 19 HG1 LYS 19 91.548 -8.641 -0.323
31 1HD LYS 19 HD2 LYS 19 92.059 -8.198 -2.554
32 2HD LYS 19 HD1 LYS 19 93.523 -7.307 -2.142
33 1HE LYS 19 HE2 LYS 19 93.815 -9.931 -1.124
34 2HE LYS 19 HE1 LYS 19 93.220 -10.073 -2.777
35 1HZ LYS 19 HZ1 LYS 19 95.035 -8.507 -3.418
36 2HZ LYS 19 HZ2 LYS 19 95.569 -10.016 -2.872
37 3HZ LYS 19 HZ3 LYS 19 95.661 -8.669 -1.855
38 H CYS 20 HN CYS 20 90.573 -3.822 -1.274
39 HA CYS 20 HA CYS 20 90.237 -2.626 1.327
40 1HB CYS 20 HB2 CYS 20 91.651 -1.592 -0.446
41 2HB CYS 20 HB1 CYS 20 90.176 -1.216 -1.340
42 HA PRO 21 HA PRO 21 85.994 -1.431 -1.082
43 1HB PRO 21 HB2 PRO 21 85.518 -4.358 -1.479
44 2HB PRO 21 HB1 PRO 21 84.874 -2.986 -2.392
45 1HG PRO 21 HG2 PRO 21 86.893 -4.388 -3.362
46 2HG PRO 21 HG1 PRO 21 86.887 -2.620 -3.505
47 1HD PRO 21 HD2 PRO 21 88.487 -4.370 -1.703
48 2HD PRO 21 HD1 PRO 21 88.911 -2.804 -2.423
49 H THR 22 HN THR 22 86.006 -0.953 1.220
50 HA THR 22 HA THR 22 84.883 -2.963 2.993
51 HB THR 22 HB THR 22 84.993 -0.576 4.384
52 HG1 THR 22 HG1 THR 22 87.423 -0.255 3.467
53 1HG2 THR 22 1HG2 THR 22 87.382 -1.437 5.007
54 2HG2 THR 22 2HG2 THR 22 86.881 -2.853 4.082
55 3HG2 THR 22 3HG2 THR 22 85.947 -2.344 5.486
56 HA PRO 23 HA PRO 23 80.616 -1.795 3.203
57 1HB PRO 23 HB2 PRO 23 80.494 -0.199 5.544
58 2HB PRO 23 HB1 PRO 23 80.137 -1.923 5.409
59 1HG PRO 23 HG2 PRO 23 82.629 -0.568 6.300
60 2HG PRO 23 HG1 PRO 23 81.937 -2.115 6.822
61 1HD PRO 23 HD2 PRO 23 84.067 -2.036 5.224
62 2HD PRO 23 HD1 PRO 23 82.804 -3.259 4.987
63 H GLY 24 HN GLY 24 83.014 0.704 3.583
64 1HA GLY 24 HA2 GLY 24 81.102 2.709 2.589
65 2HA GLY 24 HA1 GLY 24 82.605 3.070 3.425
66 H CYS 25 HN CYS 25 84.588 1.988 2.180
67 HA CYS 25 HA CYS 25 84.977 3.440 -0.126
68 1HB CYS 25 HB2 CYS 25 86.798 2.332 1.206
69 2HB CYS 25 HB1 CYS 25 86.325 0.798 0.460
70 H ASP 26 HN ASP 26 85.261 2.752 -2.389
71 HA ASP 26 HA ASP 26 83.176 0.802 -3.109
72 1HB ASP 26 HB2 ASP 26 83.015 3.253 -3.828
73 2HB ASP 26 HB1 ASP 26 84.338 2.899 -4.933
74 H GLY 27 HN GLY 27 86.554 1.615 -3.576
75 1HA GLY 27 HA2 GLY 27 88.256 0.183 -4.306
76 2HA GLY 27 HA1 GLY 27 87.040 -1.001 -4.733
77 H THR 28 HN THR 28 87.323 2.316 -5.611
78 HA THR 28 HA THR 28 88.049 1.785 -8.306
79 HB THR 28 HB THR 28 85.303 2.545 -7.460
80 HG1 THR 28 HG1 THR 28 85.440 0.606 -8.421
81 1HG2 THR 28 1HG2 THR 28 85.001 3.455 -9.873
82 2HG2 THR 28 2HG2 THR 28 86.706 3.876 -9.718
83 3HG2 THR 28 3HG2 THR 28 85.531 4.526 -8.575
84 H GLY 29 HN GLY 29 89.315 3.404 -9.014
85 1HA GLY 29 HA2 GLY 29 90.067 5.591 -9.257
86 2HA GLY 29 HA1 GLY 29 88.950 6.102 -7.997
87 H HIS 30 HN HIS 30 91.718 3.915 -8.300
88 HA HIS 30 HA HIS 30 92.881 3.545 -6.002
89 1HB HIS 30 HB2 HIS 30 93.686 3.534 -8.482
90 2HB HIS 30 HB1 HIS 30 94.616 4.910 -7.995
91 HD2 HIS 30 HD2 HIS 30 94.317 1.080 -7.164
92 HE1 HIS 30 HE1 HIS 30 98.262 2.418 -6.466
93 HE2 HIS 30 HE2 HIS 30 96.701 0.425 -6.397
94 H VAL 31 HN VAL 31 95.174 4.868 -5.485
95 HA VAL 31 HA VAL 31 94.488 6.840 -3.658
96 HB VAL 31 HB VAL 31 96.663 5.637 -3.702
97 1HG1 VAL 31 1HG1 VAL 31 97.922 7.637 -5.438
98 2HG1 VAL 31 2HG1 VAL 31 96.882 6.475 -6.261
99 3HG1 VAL 31 3HG1 VAL 31 98.231 5.908 -5.278
100 1HG2 VAL 31 1HG2 VAL 31 97.001 8.629 -3.592
101 2HG2 VAL 31 2HG2 VAL 31 97.942 7.410 -2.732
102 3HG2 VAL 31 3HG2 VAL 31 96.246 7.670 -2.319
103 H THR 32 HN THR 32 95.228 7.336 -7.082
104 HA THR 32 HA THR 32 94.517 10.149 -6.665
105 HB THR 32 HB THR 32 96.798 10.349 -7.098
106 HG1 THR 32 HG1 THR 32 95.745 11.617 -8.599
107 1HG2 THR 32 1HG2 THR 32 97.122 7.929 -7.675
108 2HG2 THR 32 2HG2 THR 32 98.097 9.076 -8.593
109 3HG2 THR 32 3HG2 THR 32 96.667 8.348 -9.325
110 H GLY 33 HN GLY 33 93.562 7.324 -7.947
111 1HA GLY 33 HA2 GLY 33 91.874 6.823 -9.400
112 2HA GLY 33 HA1 GLY 33 91.697 8.546 -9.673
113 H LEU 34 HN LEU 34 94.853 7.458 -10.024
114 HA LEU 34 HA LEU 34 94.651 7.766 -12.913
115 1HB LEU 34 HB2 LEU 34 97.101 7.614 -11.178
116 2HB LEU 34 HB1 LEU 34 97.066 7.995 -12.896
117 HG LEU 34 HG LEU 34 95.630 9.593 -10.823
118 1HD1 LEU 34 1HD1 LEU 34 98.453 9.699 -11.733
119 2HD1 LEU 34 2HD1 LEU 34 97.757 10.137 -10.179
120 3HD1 LEU 34 3HD1 LEU 34 97.615 11.236 -11.543
121 1HD2 LEU 34 1HD2 LEU 34 94.883 10.884 -12.481
122 2HD2 LEU 34 2HD2 LEU 34 95.311 9.538 -13.536
123 3HD2 LEU 34 3HD2 LEU 34 96.438 10.876 -13.313
124 H TYR 35 HN TYR 35 94.326 5.445 -10.775
125 HA TYR 35 HA TYR 35 95.632 3.392 -12.430
126 1HB TYR 35 HB2 TYR 35 94.812 3.105 -9.554
127 2HB TYR 35 HB1 TYR 35 95.725 1.945 -10.494
128 HD1 TYR 35 HD1 TYR 35 96.017 5.579 -9.768
129 HD2 TYR 35 HD2 TYR 35 97.926 1.798 -9.779
130 HE1 TYR 35 HE1 TYR 35 98.089 6.635 -8.976
131 HE2 TYR 35 HE2 TYR 35 100.009 2.835 -9.000
132 HH TYR 35 HH TYR 35 100.650 4.928 -7.713
133 HA PRO 36 HA PRO 36 91.564 1.845 -13.203
134 1HB PRO 36 HB2 PRO 36 91.904 -0.818 -13.420
135 2HB PRO 36 HB1 PRO 36 92.554 0.305 -14.619
136 1HG PRO 36 HG2 PRO 36 93.950 -1.067 -12.357
137 2HG PRO 36 HG1 PRO 36 94.504 -0.803 -14.021
138 1HD PRO 36 HD2 PRO 36 95.279 0.745 -11.899
139 2HD PRO 36 HD1 PRO 36 95.222 1.331 -13.572
140 H HIS 37 HN HIS 37 91.897 2.466 -10.493
141 HA HIS 37 HA HIS 37 90.531 2.144 -8.645
142 1HB HIS 37 HB2 HIS 37 90.238 -0.785 -9.245
143 2HB HIS 37 HB1 HIS 37 89.209 0.254 -8.274
144 HD2 HIS 37 HD2 HIS 37 88.715 2.535 -10.647
145 HE1 HIS 37 HE1 HIS 37 87.003 -0.771 -12.655
146 HE2 HIS 37 HE2 HIS 37 87.029 1.758 -12.455
147 H HIS 38 HN HIS 38 90.671 0.363 -6.779
148 HA HIS 38 HA HIS 38 93.444 -0.567 -6.590
149 1HB HIS 38 HB2 HIS 38 93.678 0.322 -4.310
150 2HB HIS 38 HB1 HIS 38 93.430 1.611 -5.478
151 HD1 HIS 38 HD1 HIS 38 91.211 2.932 -5.329
152 HD2 HIS 38 HD2 HIS 38 91.695 -0.012 -2.448
153 HE1 HIS 38 HE1 HIS 38 89.390 3.325 -3.604
154 H ARG 39 HN ARG 39 93.651 -2.508 -5.633
155 HA ARG 39 HA ARG 39 91.173 -3.712 -4.607
156 1HB ARG 39 HB2 ARG 39 93.575 -4.981 -5.918
157 2HB ARG 39 HB1 ARG 39 92.206 -5.872 -5.275
158 1HG ARG 39 HG2 ARG 39 90.868 -5.344 -7.017
159 2HG ARG 39 HG1 ARG 39 91.580 -3.742 -7.215
160 1HD ARG 39 HD2 ARG 39 93.223 -4.492 -8.596
161 2HD ARG 39 HD1 ARG 39 93.299 -6.075 -7.825
162 HE ARG 39 HE ARG 39 91.059 -6.432 -9.007
163 1HH1 ARG 39 1HH1 ARG 39 93.655 -4.480 -10.303
164 2HH1 ARG 39 2HH1 ARG 39 93.203 -4.761 -11.948
165 1HH2 ARG 39 1HH2 ARG 39 90.478 -6.802 -11.168
166 2HH2 ARG 39 2HH2 ARG 39 91.403 -6.079 -12.441
167 H SER 40 HN SER 40 93.576 -2.261 -3.149
168 HA SER 40 HA SER 40 93.408 -3.909 -0.856
169 1HB SER 40 HB2 SER 40 95.554 -4.891 -0.738
170 2HB SER 40 HB1 SER 40 94.924 -5.251 -2.344
171 HG SER 40 HG SER 40 96.135 -3.266 -2.975
172 H LEU 41 HN LEU 41 93.371 -0.965 -1.587
173 HA LEU 41 HA LEU 41 93.822 0.903 -0.365
174 1HB LEU 41 HB2 LEU 41 95.858 -0.477 1.323
175 2HB LEU 41 HB1 LEU 41 94.765 0.825 1.745
176 HG LEU 41 HG LEU 41 93.349 -1.652 1.112
177 1HD1 LEU 41 1HD1 LEU 41 94.032 -2.947 2.983
178 2HD1 LEU 41 2HD1 LEU 41 95.082 -1.662 3.575
179 3HD1 LEU 41 3HD1 LEU 41 95.497 -2.529 2.100
180 1HD2 LEU 41 1HD2 LEU 41 92.107 -1.098 3.042
181 2HD2 LEU 41 2HD2 LEU 41 92.467 0.417 2.223
182 3HD2 LEU 41 3HD2 LEU 41 93.384 -0.046 3.652
183 H SER 42 HN SER 42 96.367 -1.070 -1.683
184 HA SER 42 HA SER 42 98.619 0.440 -1.517
185 1HB SER 42 HB2 SER 42 98.963 -0.248 -4.020
186 2HB SER 42 HB1 SER 42 98.879 -1.500 -2.782
187 HG SER 42 HG SER 42 97.478 -1.531 -4.860
188 H GLY 43 HN GLY 43 95.686 1.184 -3.190
189 1HA GLY 43 HA2 GLY 43 96.840 3.691 -4.183
190 2HA GLY 43 HA1 GLY 43 95.457 2.883 -4.887
191 H CYS 44 HN CYS 44 93.497 2.946 -3.925
192 HA CYS 44 HA CYS 44 91.778 4.156 -2.933
193 1HB CYS 44 HB2 CYS 44 92.811 2.503 -1.178
194 2HB CYS 44 HB1 CYS 44 93.355 3.974 -0.383
195 HA PRO 45 HA PRO 45 93.468 8.384 -2.541
196 1HB PRO 45 HB2 PRO 45 91.720 9.618 -4.025
197 2HB PRO 45 HB1 PRO 45 92.696 8.361 -4.790
198 1HG PRO 45 HG2 PRO 45 89.887 8.192 -3.754
199 2HG PRO 45 HG1 PRO 45 90.532 7.619 -5.300
200 1HD PRO 45 HD2 PRO 45 90.207 6.054 -3.004
201 2HD PRO 45 HD1 PRO 45 91.258 5.642 -4.370
202 H HIS 46 HN HIS 46 90.768 7.015 -1.154
203 HA HIS 46 HA HIS 46 89.323 9.336 -0.427
204 1HB HIS 46 HB2 HIS 46 89.234 6.656 0.938
205 2HB HIS 46 HB1 HIS 46 87.962 7.856 0.815
206 HD2 HIS 46 HD2 HIS 46 88.729 4.597 -0.692
207 HE1 HIS 46 HE1 HIS 46 86.627 6.686 -3.679
208 HE2 HIS 46 HE2 HIS 46 87.583 4.455 -2.997
209 H LYS 47 HN LYS 47 90.761 7.069 1.902
210 HA LYS 47 HA LYS 47 91.698 7.359 3.917
211 1HB LYS 47 HB2 LYS 47 93.721 8.559 3.948
212 2HB LYS 47 HB1 LYS 47 93.527 7.978 2.306
213 1HG LYS 47 HG2 LYS 47 92.392 10.503 2.258
214 2HG LYS 47 HG1 LYS 47 93.793 10.682 3.305
215 1HD LYS 47 HD2 LYS 47 95.280 10.125 1.631
216 2HD LYS 47 HD1 LYS 47 94.072 9.225 0.713
217 1HE LYS 47 HE2 LYS 47 93.721 11.014 -0.552
218 2HE LYS 47 HE1 LYS 47 93.182 11.906 0.869
219 1HZ LYS 47 HZ1 LYS 47 95.397 12.441 -0.656
220 2HZ LYS 47 HZ2 LYS 47 96.025 11.742 0.749
221 3HZ LYS 47 HZ3 LYS 47 95.032 13.107 0.857
222 H ASP 48 HN ASP 48 89.430 8.115 4.530
223 HA ASP 48 HA ASP 48 89.792 10.693 5.923
224 1HB ASP 48 HB2 ASP 48 87.954 10.443 3.931
225 2HB ASP 48 HB1 ASP 48 86.990 9.994 5.332
226 H ARG 49 HN ARG 49 89.472 7.426 6.207
227 HA ARG 49 HA ARG 49 88.965 6.023 7.935
228 1HB ARG 49 HB2 ARG 49 90.583 7.546 9.040
229 2HB ARG 49 HB1 ARG 49 89.236 8.509 9.623
230 1HG ARG 49 HG2 ARG 49 88.497 6.089 10.522
231 2HG ARG 49 HG1 ARG 49 90.249 5.911 10.549
232 1HD ARG 49 HD2 ARG 49 90.512 7.754 12.002
233 2HD ARG 49 HD1 ARG 49 88.841 8.269 11.769
234 HE ARG 49 HE ARG 49 88.503 5.848 12.845
235 1HH1 ARG 49 1HH1 ARG 49 90.594 8.483 13.782
236 2HH1 ARG 49 2HH1 ARG 49 90.562 8.077 15.464
237 1HH2 ARG 49 1HH2 ARG 49 88.455 5.316 15.064
238 2HH2 ARG 49 2HH2 ARG 49 89.347 6.281 16.192
239 H VAL 50 HN VAL 50 87.046 5.134 8.211
240 HA VAL 50 HA VAL 50 85.061 4.809 9.343
241 HB VAL 50 HB VAL 50 84.647 7.789 9.510
242 1HG1 VAL 50 1HG1 VAL 50 82.804 5.818 9.765
243 2HG1 VAL 50 2HG1 VAL 50 82.724 7.379 10.583
244 3HG1 VAL 50 3HG1 VAL 50 83.377 5.974 11.426
245 1HG2 VAL 50 1HG2 VAL 50 86.271 7.759 11.048
246 2HG2 VAL 50 2HG2 VAL 50 86.340 5.998 11.058
247 3HG2 VAL 50 3HG2 VAL 50 85.151 6.841 12.052
248 HA PRO 51 HA PRO 51 82.187 6.582 6.053
249 1HB PRO 51 HB2 PRO 51 82.881 8.663 4.487
250 2HB PRO 51 HB1 PRO 51 82.212 8.891 6.105
251 1HG PRO 51 HG2 PRO 51 85.033 9.074 5.169
252 2HG PRO 51 HG1 PRO 51 84.181 10.057 6.371
253 1HD PRO 51 HD2 PRO 51 85.903 7.977 6.948
254 2HD PRO 51 HD1 PRO 51 84.669 8.608 8.054
255 HA PRO 52 HA PRO 52 83.392 4.530 2.354
256 1HB PRO 52 HB2 PRO 52 82.679 6.857 0.640
257 2HB PRO 52 HB1 PRO 52 82.137 5.178 0.535
258 1HG PRO 52 HG2 PRO 52 80.527 7.075 1.486
259 2HG PRO 52 HG1 PRO 52 80.547 5.449 2.195
260 1HD PRO 52 HD2 PRO 52 81.739 7.985 3.224
261 2HD PRO 52 HD1 PRO 52 80.980 6.652 4.117
262 H GLU 53 HN GLU 53 85.672 4.858 3.115
263 HA GLU 53 HA GLU 53 87.134 6.346 1.135
264 1HB GLU 53 HB2 GLU 53 87.833 6.416 4.058
265 2HB GLU 53 HB1 GLU 53 88.680 7.257 2.768
266 1HG GLU 53 HG2 GLU 53 85.806 7.790 3.438
267 2HG GLU 53 HG1 GLU 53 87.137 8.608 4.225
268 H ILE 54 HN ILE 54 88.994 5.092 3.695
269 HA ILE 54 HA ILE 54 89.763 2.816 1.983
270 HB ILE 54 HB ILE 54 91.540 3.582 4.235
271 1HG1 ILE 54 2HG1 ILE 54 91.279 5.265 1.728
272 2HG1 ILE 54 1HG1 ILE 54 91.037 5.782 3.393
273 1HG2 ILE 54 1HG2 ILE 54 91.659 2.071 1.812
274 2HG2 ILE 54 2HG2 ILE 54 92.810 2.135 3.142
275 3HG2 ILE 54 3HG2 ILE 54 92.932 3.286 1.811
276 1HD1 ILE 54 1HD1 ILE 54 93.668 4.646 2.994
277 2HD1 ILE 54 2HD1 ILE 54 93.197 6.204 3.664
278 3HD1 ILE 54 3HD1 ILE 54 93.357 6.008 1.921
279 H LEU 55 HN LEU 55 88.523 3.805 5.006
280 HA LEU 55 HA LEU 55 87.997 2.734 6.961
281 1HB LEU 55 HB2 LEU 55 86.875 1.214 4.693
282 2HB LEU 55 HB1 LEU 55 86.814 0.420 6.254
283 HG LEU 55 HG LEU 55 85.792 3.221 5.908
284 1HD1 LEU 55 1HD1 LEU 55 84.726 1.637 4.255
285 2HD1 LEU 55 2HD1 LEU 55 83.630 2.430 5.386
286 3HD1 LEU 55 3HD1 LEU 55 84.101 0.752 5.646
287 1HD2 LEU 55 1HD2 LEU 55 86.228 2.158 8.172
288 2HD2 LEU 55 2HD2 LEU 55 84.899 1.064 7.796
289 3HD2 LEU 55 3HD2 LEU 55 84.608 2.798 7.900
290 H ALA 56 HN ALA 56 90.714 2.186 6.159
291 HA ALA 56 HA ALA 56 92.465 0.834 6.663
292 1HB ALA 56 HB1 ALA 56 90.603 0.682 8.922
293 2HB ALA 56 HB2 ALA 56 92.298 1.153 8.878
294 3HB ALA 56 HB3 ALA 56 91.859 -0.551 8.888
295 H MET 57 HN MET 57 90.239 -0.387 4.997
296 HA MET 57 HA MET 57 90.051 -2.353 3.841
297 1HB MET 57 HB2 MET 57 92.557 -2.526 4.396
298 2HB MET 57 HB1 MET 57 92.067 -3.625 5.675
299 1HG MET 57 HG2 MET 57 90.771 -4.443 3.300
300 2HG MET 57 HG1 MET 57 92.469 -4.164 2.918
301 1HE MET 57 HE1 MET 57 94.320 -5.287 3.628
302 2HE MET 57 HE2 MET 57 94.398 -6.860 4.426
303 3HE MET 57 HE3 MET 57 94.306 -5.384 5.389
304 H HIS 58 HN HIS 58 90.613 -3.131 7.297
305 HA HIS 58 HA HIS 58 87.921 -4.172 7.513
306 1HB HIS 58 HB2 HIS 58 90.167 -5.906 6.993
307 2HB HIS 58 HB1 HIS 58 89.467 -6.276 8.564
308 HD2 HIS 58 HD2 HIS 58 88.021 -8.470 8.037
309 HE1 HIS 58 HE1 HIS 58 85.960 -6.945 4.669
310 HE2 HIS 58 HE2 HIS 58 86.063 -8.822 6.370
311 H GLU 59 HN GLU 59 89.773 -2.143 8.789
312 HA GLU 59 HA GLU 59 89.366 -3.040 11.565
313 1HB GLU 59 HB2 GLU 59 91.775 -1.857 10.285
314 2HB GLU 59 HB1 GLU 59 91.408 -1.364 11.933
315 1HG GLU 59 HG2 GLU 59 92.652 -3.150 12.467
316 2HG GLU 59 HG1 GLU 59 91.155 -4.035 12.165
317 H ASN 60 HN ASN 60 89.099 -0.497 9.221
318 HA ASN 60 HA ASN 60 88.018 1.500 9.259
319 1HB ASN 60 HB2 ASN 60 86.918 0.713 11.956
320 2HB ASN 60 HB1 ASN 60 86.208 1.816 10.781
321 1HD2 ASN 60 1HD2 ASN 60 85.454 -0.848 12.116
322 2HD2 ASN 60 2HD2 ASN 60 84.859 -1.797 10.788
323 H VAL 61 HN VAL 61 90.218 2.363 9.511
324 HA VAL 61 HA VAL 61 90.314 4.307 11.561
325 HB VAL 61 HB VAL 61 91.019 2.252 12.828
326 1HG1 VAL 61 1HG1 VAL 61 92.920 1.087 12.382
327 2HG1 VAL 61 2HG1 VAL 61 93.712 2.453 11.597
328 3HG1 VAL 61 3HG1 VAL 61 92.470 1.543 10.742
329 1HG2 VAL 61 1HG2 VAL 61 92.748 3.387 14.051
330 2HG2 VAL 61 2HG2 VAL 61 91.558 4.571 13.515
331 3HG2 VAL 61 3HG2 VAL 61 93.101 4.429 12.674
332 H LEU 62 HN LEU 62 90.587 4.030 8.633
333 HA LEU 62 HA LEU 62 91.751 5.043 6.952
334 1HB LEU 62 HB2 LEU 62 92.120 6.643 9.161
335 2HB LEU 62 HB1 LEU 62 93.761 6.349 8.626
336 HG LEU 62 HG LEU 62 91.677 7.282 6.682
337 1HD1 LEU 62 1HD1 LEU 62 93.137 9.520 7.369
338 2HD1 LEU 62 2HD1 LEU 62 92.779 8.769 8.923
339 3HD1 LEU 62 3HD1 LEU 62 91.465 9.188 7.822
340 1HD2 LEU 62 1HD2 LEU 62 93.948 8.396 5.893
341 2HD2 LEU 62 2HD2 LEU 62 93.520 6.741 5.460
342 3HD2 LEU 62 3HD2 LEU 62 94.632 7.043 6.792
343 H LYS 63 HN LYS 63 93.081 2.718 8.867
344 HA LYS 63 HA LYS 63 95.559 2.647 7.277
345 1HB LYS 63 HB2 LYS 63 95.102 2.293 10.171
346 2HB LYS 63 HB1 LYS 63 96.193 1.131 9.432
347 1HG LYS 63 HG2 LYS 63 97.672 2.753 10.043
348 2HG LYS 63 HG1 LYS 63 97.285 3.283 8.405
349 1HD LYS 63 HD2 LYS 63 95.369 4.390 10.213
350 2HD LYS 63 HD1 LYS 63 96.990 4.716 10.830
351 1HE LYS 63 HE2 LYS 63 97.322 5.282 8.206
352 2HE LYS 63 HE1 LYS 63 95.631 5.731 8.424
353 1HZ LYS 63 HZ1 LYS 63 97.983 7.081 9.296
354 2HZ LYS 63 HZ2 LYS 63 96.931 6.796 10.591
355 3HZ LYS 63 HZ3 LYS 63 96.386 7.641 9.230
Start of MODEL 19
1 H ARG 16 HN ARG 16 94.433 -11.831 -4.553
2 HA ARG 16 HA ARG 16 93.167 -9.336 -3.723
3 1HB ARG 16 HB2 ARG 16 92.236 -12.211 -3.597
4 2HB ARG 16 HB1 ARG 16 91.305 -10.851 -2.984
5 1HG ARG 16 HG2 ARG 16 91.378 -9.879 -5.289
6 2HG ARG 16 HG1 ARG 16 92.093 -11.397 -5.834
7 1HD ARG 16 HD2 ARG 16 89.545 -11.429 -4.274
8 2HD ARG 16 HD1 ARG 16 89.515 -11.031 -5.991
9 HE ARG 16 HE ARG 16 90.938 -13.457 -5.335
10 1HH1 ARG 16 1HH1 ARG 16 87.862 -12.055 -6.213
11 2HH1 ARG 16 2HH1 ARG 16 87.227 -13.536 -6.844
12 1HH2 ARG 16 1HH2 ARG 16 90.098 -15.406 -6.163
13 2HH2 ARG 16 2HH2 ARG 16 88.492 -15.437 -6.811
14 H GLU 17 HN GLU 17 92.660 -12.109 -1.698
15 HA GLU 17 HA GLU 17 93.339 -12.655 0.409
16 1HB GLU 17 HB2 GLU 17 95.622 -11.584 -0.707
17 2HB GLU 17 HB1 GLU 17 95.413 -10.620 0.748
18 1HG GLU 17 HG2 GLU 17 95.055 -13.008 1.832
19 2HG GLU 17 HG1 GLU 17 96.026 -13.502 0.444
20 H SER 18 HN SER 18 94.018 -9.155 0.208
21 HA SER 18 HA SER 18 91.924 -8.720 2.234
22 1HB SER 18 HB2 SER 18 93.329 -7.133 3.398
23 2HB SER 18 HB1 SER 18 94.218 -8.648 3.240
24 HG SER 18 HG SER 18 95.655 -7.654 2.078
25 H LYS 19 HN LYS 19 90.496 -8.004 0.603
26 HA LYS 19 HA LYS 19 91.198 -5.944 -1.202
27 1HB LYS 19 HB2 LYS 19 88.367 -6.613 -0.519
28 2HB LYS 19 HB1 LYS 19 89.062 -6.168 -2.063
29 1HG LYS 19 HG2 LYS 19 90.227 -8.630 -1.190
30 2HG LYS 19 HG1 LYS 19 88.471 -8.746 -1.103
31 1HD LYS 19 HD2 LYS 19 89.122 -7.463 -3.543
32 2HD LYS 19 HD1 LYS 19 90.171 -8.872 -3.389
33 1HE LYS 19 HE2 LYS 19 88.100 -9.438 -4.545
34 2HE LYS 19 HE1 LYS 19 88.226 -10.293 -3.007
35 1HZ LYS 19 HZ1 LYS 19 86.026 -9.476 -3.198
36 2HZ LYS 19 HZ2 LYS 19 86.548 -7.924 -3.617
37 3HZ LYS 19 HZ3 LYS 19 86.797 -8.505 -2.049
38 H CYS 20 HN CYS 20 89.577 -4.092 -1.320
39 HA CYS 20 HA CYS 20 89.588 -2.677 1.245
40 1HB CYS 20 HB2 CYS 20 91.081 -1.880 -0.593
41 2HB CYS 20 HB1 CYS 20 89.640 -1.494 -1.525
42 HA PRO 21 HA PRO 21 85.492 -1.360 -1.335
43 1HB PRO 21 HB2 PRO 21 84.977 -4.214 -2.069
44 2HB PRO 21 HB1 PRO 21 84.466 -2.733 -2.890
45 1HG PRO 21 HG2 PRO 21 86.522 -4.118 -3.818
46 2HG PRO 21 HG1 PRO 21 86.575 -2.345 -3.787
47 1HD PRO 21 HD2 PRO 21 87.951 -4.311 -2.026
48 2HD PRO 21 HD1 PRO 21 88.483 -2.708 -2.569
49 H THR 22 HN THR 22 85.010 -0.989 0.841
50 HA THR 22 HA THR 22 83.367 -3.114 2.058
51 HB THR 22 HB THR 22 85.700 -2.234 3.143
52 HG1 THR 22 HG1 THR 22 85.082 -3.431 4.795
53 1HG2 THR 22 1HG2 THR 22 83.732 -0.824 4.873
54 2HG2 THR 22 2HG2 THR 22 84.443 0.033 3.507
55 3HG2 THR 22 3HG2 THR 22 85.479 -0.631 4.763
56 HA PRO 23 HA PRO 23 79.852 -0.500 2.559
57 1HB PRO 23 HB2 PRO 23 80.546 -0.112 5.447
58 2HB PRO 23 HB1 PRO 23 78.987 -0.504 4.712
59 1HG PRO 23 HG2 PRO 23 80.429 -2.401 5.884
60 2HG PRO 23 HG1 PRO 23 79.561 -2.732 4.374
61 1HD PRO 23 HD2 PRO 23 82.469 -2.332 4.838
62 2HD PRO 23 HD1 PRO 23 81.648 -3.335 3.628
63 H GLY 24 HN GLY 24 80.829 1.177 1.291
64 1HA GLY 24 HA2 GLY 24 80.634 3.687 1.768
65 2HA GLY 24 HA1 GLY 24 81.979 3.387 2.853
66 H CYS 25 HN CYS 25 83.826 2.042 1.615
67 HA CYS 25 HA CYS 25 85.050 3.747 -0.185
68 1HB CYS 25 HB2 CYS 25 86.468 2.088 0.769
69 2HB CYS 25 HB1 CYS 25 85.366 0.789 0.292
70 H ASP 26 HN ASP 26 85.335 3.707 -2.488
71 HA ASP 26 HA ASP 26 82.971 2.676 -3.883
72 1HB ASP 26 HB2 ASP 26 83.527 5.150 -3.918
73 2HB ASP 26 HB1 ASP 26 84.934 4.735 -4.894
74 H GLY 27 HN GLY 27 86.499 2.939 -4.228
75 1HA GLY 27 HA2 GLY 27 87.931 1.334 -5.165
76 2HA GLY 27 HA1 GLY 27 86.528 0.433 -5.680
77 H THR 28 HN THR 28 87.492 3.730 -6.278
78 HA THR 28 HA THR 28 88.081 3.255 -9.014
79 HB THR 28 HB THR 28 85.449 3.924 -8.225
80 HG1 THR 28 HG1 THR 28 86.681 3.807 -10.774
81 1HG2 THR 28 1HG2 THR 28 86.687 6.103 -9.884
82 2HG2 THR 28 2HG2 THR 28 86.050 6.275 -8.249
83 3HG2 THR 28 3HG2 THR 28 84.966 5.878 -9.580
84 H GLY 29 HN GLY 29 89.782 4.485 -9.465
85 1HA GLY 29 HA2 GLY 29 90.863 6.569 -9.772
86 2HA GLY 29 HA1 GLY 29 89.883 7.251 -8.483
87 H HIS 30 HN HIS 30 91.454 4.202 -8.067
88 HA HIS 30 HA HIS 30 92.720 3.590 -6.181
89 1HB HIS 30 HB2 HIS 30 93.863 3.892 -8.534
90 2HB HIS 30 HB1 HIS 30 94.852 5.030 -7.659
91 HD2 HIS 30 HD2 HIS 30 93.948 1.194 -7.466
92 HE1 HIS 30 HE1 HIS 30 97.879 1.854 -6.060
93 HE2 HIS 30 HE2 HIS 30 96.071 0.120 -6.444
94 H VAL 31 HN VAL 31 95.054 4.526 -5.248
95 HA VAL 31 HA VAL 31 94.331 6.334 -3.215
96 HB VAL 31 HB VAL 31 96.172 4.772 -2.943
97 1HG1 VAL 31 1HG1 VAL 31 98.150 6.381 -4.369
98 2HG1 VAL 31 2HG1 VAL 31 97.001 5.533 -5.404
99 3HG1 VAL 31 3HG1 VAL 31 97.979 4.630 -4.248
100 1HG2 VAL 31 1HG2 VAL 31 96.560 7.668 -2.469
101 2HG2 VAL 31 2HG2 VAL 31 97.929 6.597 -2.181
102 3HG2 VAL 31 3HG2 VAL 31 96.413 6.339 -1.320
103 H THR 32 HN THR 32 95.911 7.013 -6.340
104 HA THR 32 HA THR 32 95.828 9.860 -5.608
105 HB THR 32 HB THR 32 97.773 10.232 -6.897
106 HG1 THR 32 HG1 THR 32 97.168 7.721 -8.013
107 1HG2 THR 32 1HG2 THR 32 99.424 9.034 -5.867
108 2HG2 THR 32 2HG2 THR 32 98.517 7.521 -5.925
109 3HG2 THR 32 3HG2 THR 32 98.079 8.771 -4.758
110 H GLY 33 HN GLY 33 94.102 7.714 -7.325
111 1HA GLY 33 HA2 GLY 33 92.614 7.950 -9.062
112 2HA GLY 33 HA1 GLY 33 92.957 9.667 -8.993
113 H LEU 34 HN LEU 34 95.701 7.745 -9.266
114 HA LEU 34 HA LEU 34 95.934 8.456 -12.091
115 1HB LEU 34 HB2 LEU 34 98.162 7.722 -10.219
116 2HB LEU 34 HB1 LEU 34 98.303 8.408 -11.833
117 HG LEU 34 HG LEU 34 96.860 9.821 -9.651
118 1HD1 LEU 34 1HD1 LEU 34 99.490 10.901 -10.128
119 2HD1 LEU 34 2HD1 LEU 34 99.595 9.229 -9.583
120 3HD1 LEU 34 3HD1 LEU 34 98.742 10.420 -8.607
121 1HD2 LEU 34 1HD2 LEU 34 97.724 10.429 -12.394
122 2HD2 LEU 34 2HD2 LEU 34 97.948 11.725 -11.220
123 3HD2 LEU 34 3HD2 LEU 34 96.346 11.034 -11.477
124 H TYR 35 HN TYR 35 94.989 5.945 -10.294
125 HA TYR 35 HA TYR 35 96.314 4.008 -12.085
126 1HB TYR 35 HB2 TYR 35 95.127 3.388 -9.399
127 2HB TYR 35 HB1 TYR 35 96.043 2.295 -10.410
128 HD1 TYR 35 HD1 TYR 35 96.601 5.749 -9.138
129 HD2 TYR 35 HD2 TYR 35 98.088 1.792 -9.436
130 HE1 TYR 35 HE1 TYR 35 98.645 6.441 -7.959
131 HE2 TYR 35 HE2 TYR 35 100.146 2.466 -8.276
132 HH TYR 35 HH TYR 35 100.938 4.181 -6.785
133 HA PRO 36 HA PRO 36 92.305 3.018 -13.601
134 1HB PRO 36 HB2 PRO 36 92.784 0.145 -13.608
135 2HB PRO 36 HB1 PRO 36 92.699 1.255 -14.977
136 1HG PRO 36 HG2 PRO 36 95.005 0.053 -14.174
137 2HG PRO 36 HG1 PRO 36 94.957 1.629 -14.983
138 1HD PRO 36 HD2 PRO 36 95.289 0.998 -12.075
139 2HD PRO 36 HD1 PRO 36 96.085 2.248 -13.057
140 H HIS 37 HN HIS 37 92.315 3.376 -10.822
141 HA HIS 37 HA HIS 37 90.843 3.061 -9.100
142 1HB HIS 37 HB2 HIS 37 89.734 0.513 -10.129
143 2HB HIS 37 HB1 HIS 37 88.928 1.837 -9.317
144 HD2 HIS 37 HD2 HIS 37 89.669 4.163 -11.560
145 HE1 HIS 37 HE1 HIS 37 87.522 1.576 -14.128
146 HE2 HIS 37 HE2 HIS 37 88.573 3.870 -13.892
147 H HIS 38 HN HIS 38 90.348 1.267 -7.504
148 HA HIS 38 HA HIS 38 92.621 -0.602 -7.390
149 1HB HIS 38 HB2 HIS 38 92.812 -0.297 -4.984
150 2HB HIS 38 HB1 HIS 38 92.994 1.256 -5.780
151 HD1 HIS 38 HD1 HIS 38 90.830 2.855 -5.651
152 HD2 HIS 38 HD2 HIS 38 91.030 -0.356 -3.014
153 HE1 HIS 38 HE1 HIS 38 88.970 3.232 -3.934
154 H ARG 39 HN ARG 39 89.348 0.164 -6.348
155 HA ARG 39 HA ARG 39 87.644 -1.161 -5.577
156 1HB ARG 39 HB2 ARG 39 86.926 -2.763 -7.219
157 2HB ARG 39 HB1 ARG 39 87.615 -1.378 -8.051
158 1HG ARG 39 HG2 ARG 39 89.340 -2.563 -8.894
159 2HG ARG 39 HG1 ARG 39 89.464 -3.606 -7.479
160 1HD ARG 39 HD2 ARG 39 88.552 -5.172 -8.787
161 2HD ARG 39 HD1 ARG 39 87.037 -4.327 -8.487
162 HE ARG 39 HE ARG 39 88.642 -4.245 -10.922
163 1HH1 ARG 39 1HH1 ARG 39 85.859 -3.071 -9.165
164 2HH1 ARG 39 2HH1 ARG 39 85.073 -2.460 -10.580
165 1HH2 ARG 39 1HH2 ARG 39 87.607 -3.438 -12.776
166 2HH2 ARG 39 2HH2 ARG 39 86.061 -2.671 -12.629
167 H SER 40 HN SER 40 90.345 -1.827 -4.458
168 HA SER 40 HA SER 40 90.009 -3.538 -2.567
169 1HB SER 40 HB2 SER 40 90.264 -5.290 -5.008
170 2HB SER 40 HB1 SER 40 90.536 -5.873 -3.362
171 HG SER 40 HG SER 40 88.220 -5.544 -4.662
172 H LEU 41 HN LEU 41 92.006 -1.676 -3.722
173 HA LEU 41 HA LEU 41 94.336 -3.342 -3.083
174 1HB LEU 41 HB2 LEU 41 94.534 -1.029 -4.970
175 2HB LEU 41 HB1 LEU 41 95.681 -2.327 -4.711
176 HG LEU 41 HG LEU 41 93.016 -2.540 -6.101
177 1HD1 LEU 41 1HD1 LEU 41 95.394 -3.384 -7.527
178 2HD1 LEU 41 2HD1 LEU 41 95.453 -1.684 -7.062
179 3HD1 LEU 41 3HD1 LEU 41 94.102 -2.289 -8.021
180 1HD2 LEU 41 1HD2 LEU 41 94.373 -4.870 -6.581
181 2HD2 LEU 41 2HD2 LEU 41 93.051 -4.671 -5.431
182 3HD2 LEU 41 3HD2 LEU 41 94.723 -4.566 -4.879
183 H SER 42 HN SER 42 96.317 -1.750 -2.795
184 HA SER 42 HA SER 42 95.726 -0.304 -0.405
185 1HB SER 42 HB2 SER 42 98.219 0.318 -0.618
186 2HB SER 42 HB1 SER 42 97.824 -1.386 -0.408
187 HG SER 42 HG SER 42 99.372 -0.815 -2.133
188 H GLY 43 HN GLY 43 95.268 0.502 -3.566
189 1HA GLY 43 HA2 GLY 43 96.262 3.158 -3.623
190 2HA GLY 43 HA1 GLY 43 95.077 2.467 -4.711
191 H CYS 44 HN CYS 44 92.952 2.724 -4.346
192 HA CYS 44 HA CYS 44 91.035 3.631 -3.464
193 1HB CYS 44 HB2 CYS 44 92.070 2.424 -1.399
194 2HB CYS 44 HB1 CYS 44 92.399 4.064 -0.836
195 HA PRO 45 HA PRO 45 92.110 8.013 -3.679
196 1HB PRO 45 HB2 PRO 45 89.874 8.786 -4.985
197 2HB PRO 45 HB1 PRO 45 91.191 7.933 -5.777
198 1HG PRO 45 HG2 PRO 45 88.505 6.994 -5.151
199 2HG PRO 45 HG1 PRO 45 89.722 6.268 -6.209
200 1HD PRO 45 HD2 PRO 45 89.039 5.585 -3.456
201 2HD PRO 45 HD1 PRO 45 90.036 4.695 -4.621
202 H HIS 46 HN HIS 46 90.370 6.813 -1.340
203 HA HIS 46 HA HIS 46 88.766 9.214 -0.848
204 1HB HIS 46 HB2 HIS 46 88.595 6.608 0.642
205 2HB HIS 46 HB1 HIS 46 87.376 7.878 0.514
206 HD2 HIS 46 HD2 HIS 46 87.923 4.538 -0.850
207 HE1 HIS 46 HE1 HIS 46 86.142 6.608 -4.046
208 HE2 HIS 46 HE2 HIS 46 86.993 4.377 -3.246
209 H LYS 47 HN LYS 47 90.109 6.995 1.638
210 HA LYS 47 HA LYS 47 91.528 7.391 3.371
211 1HB LYS 47 HB2 LYS 47 92.585 8.941 1.289
212 2HB LYS 47 HB1 LYS 47 92.498 10.035 2.660
213 1HG LYS 47 HG2 LYS 47 93.825 8.530 3.999
214 2HG LYS 47 HG1 LYS 47 93.831 7.339 2.705
215 1HD LYS 47 HD2 LYS 47 94.795 10.035 1.999
216 2HD LYS 47 HD1 LYS 47 95.815 9.098 3.093
217 1HE LYS 47 HE2 LYS 47 96.597 8.543 0.960
218 2HE LYS 47 HE1 LYS 47 95.557 7.192 1.410
219 1HZ LYS 47 HZ1 LYS 47 93.849 7.976 0.017
220 2HZ LYS 47 HZ2 LYS 47 95.264 8.082 -0.902
221 3HZ LYS 47 HZ3 LYS 47 94.597 9.475 -0.213
222 H ASP 48 HN ASP 48 89.285 7.679 4.286
223 HA ASP 48 HA ASP 48 89.001 10.414 5.340
224 1HB ASP 48 HB2 ASP 48 87.110 8.899 3.958
225 2HB ASP 48 HB1 ASP 48 86.610 8.804 5.639
226 H ARG 49 HN ARG 49 89.856 7.272 6.138
227 HA ARG 49 HA ARG 49 90.306 6.287 8.121
228 1HB ARG 49 HB2 ARG 49 89.745 8.991 9.323
229 2HB ARG 49 HB1 ARG 49 90.599 7.678 10.109
230 1HG ARG 49 HG2 ARG 49 91.538 9.128 7.643
231 2HG ARG 49 HG1 ARG 49 92.101 9.433 9.285
232 1HD ARG 49 HD2 ARG 49 93.735 8.014 8.569
233 2HD ARG 49 HD1 ARG 49 92.598 6.851 9.227
234 HE ARG 49 HE ARG 49 91.908 6.331 6.998
235 1HH1 ARG 49 1HH1 ARG 49 94.709 8.416 7.169
236 2HH1 ARG 49 2HH1 ARG 49 95.274 7.977 5.597
237 1HH2 ARG 49 1HH2 ARG 49 92.663 5.755 4.944
238 2HH2 ARG 49 2HH2 ARG 49 94.129 6.450 4.345
239 H VAL 50 HN VAL 50 87.756 6.093 7.089
240 HA VAL 50 HA VAL 50 86.302 5.173 9.385
241 HB VAL 50 HB VAL 50 84.178 6.407 8.406
242 1HG1 VAL 50 1HG1 VAL 50 85.158 8.436 9.983
243 2HG1 VAL 50 2HG1 VAL 50 86.076 7.027 10.512
244 3HG1 VAL 50 3HG1 VAL 50 84.316 6.994 10.548
245 1HG2 VAL 50 1HG2 VAL 50 86.117 8.623 7.987
246 2HG2 VAL 50 2HG2 VAL 50 84.487 8.416 7.354
247 3HG2 VAL 50 3HG2 VAL 50 85.818 7.484 6.678
248 HA PRO 51 HA PRO 51 84.572 2.027 6.825
249 1HB PRO 51 HB2 PRO 51 81.963 3.501 6.765
250 2HB PRO 51 HB1 PRO 51 82.276 1.781 7.013
251 1HG PRO 51 HG2 PRO 51 81.763 3.376 9.083
252 2HG PRO 51 HG1 PRO 51 82.970 2.083 9.204
253 1HD PRO 51 HD2 PRO 51 83.356 5.015 9.031
254 2HD PRO 51 HD1 PRO 51 84.392 3.782 9.774
255 HA PRO 52 HA PRO 52 83.268 4.361 2.894
256 1HB PRO 52 HB2 PRO 52 82.599 6.927 2.887
257 2HB PRO 52 HB1 PRO 52 81.493 5.703 3.523
258 1HG PRO 52 HG2 PRO 52 83.304 7.570 5.003
259 2HG PRO 52 HG1 PRO 52 81.631 7.112 5.368
260 1HD PRO 52 HD2 PRO 52 83.872 6.009 6.558
261 2HD PRO 52 HD1 PRO 52 82.278 5.239 6.492
262 H GLU 53 HN GLU 53 85.599 3.983 2.573
263 HA GLU 53 HA GLU 53 86.815 5.916 1.100
264 1HB GLU 53 HB2 GLU 53 88.746 6.460 2.768
265 2HB GLU 53 HB1 GLU 53 87.261 7.392 2.812
266 1HG GLU 53 HG2 GLU 53 87.243 6.966 4.995
267 2HG GLU 53 HG1 GLU 53 86.740 5.341 4.558
268 H ILE 54 HN ILE 54 88.939 4.571 3.371
269 HA ILE 54 HA ILE 54 89.622 2.340 1.589
270 HB ILE 54 HB ILE 54 91.777 3.339 3.336
271 1HG1 ILE 54 2HG1 ILE 54 90.942 4.974 0.934
272 2HG1 ILE 54 1HG1 ILE 54 90.828 5.485 2.605
273 1HG2 ILE 54 1HG2 ILE 54 92.572 1.730 1.967
274 2HG2 ILE 54 2HG2 ILE 54 92.900 3.125 0.944
275 3HG2 ILE 54 3HG2 ILE 54 91.473 2.136 0.655
276 1HD1 ILE 54 1HD1 ILE 54 93.355 4.861 1.110
277 2HD1 ILE 54 2HD1 ILE 54 93.259 5.338 2.804
278 3HD1 ILE 54 3HD1 ILE 54 92.757 6.462 1.540
279 H LEU 55 HN LEU 55 88.545 3.331 4.574
280 HA LEU 55 HA LEU 55 88.527 2.440 6.699
281 1HB LEU 55 HB2 LEU 55 87.452 0.316 6.769
282 2HB LEU 55 HB1 LEU 55 86.834 1.191 5.379
283 HG LEU 55 HG LEU 55 89.123 -0.578 4.821
284 1HD1 LEU 55 1HD1 LEU 55 86.623 -2.081 4.922
285 2HD1 LEU 55 2HD1 LEU 55 87.261 -1.643 6.504
286 3HD1 LEU 55 3HD1 LEU 55 88.255 -2.559 5.374
287 1HD2 LEU 55 1HD2 LEU 55 88.310 0.124 2.851
288 2HD2 LEU 55 2HD2 LEU 55 86.716 0.473 3.515
289 3HD2 LEU 55 3HD2 LEU 55 87.148 -1.176 3.076
290 H ALA 56 HN ALA 56 91.219 2.500 5.620
291 HA ALA 56 HA ALA 56 93.271 1.894 6.441
292 1HB ALA 56 HB1 ALA 56 93.291 1.053 8.490
293 2HB ALA 56 HB2 ALA 56 92.707 -0.503 7.907
294 3HB ALA 56 HB3 ALA 56 91.562 0.757 8.351
295 H MET 57 HN MET 57 91.104 -0.533 5.148
296 HA MET 57 HA MET 57 91.448 -2.028 3.447
297 1HB MET 57 HB2 MET 57 93.654 -0.351 3.162
298 2HB MET 57 HB1 MET 57 94.355 -1.958 3.282
299 1HG MET 57 HG2 MET 57 92.185 -2.202 1.534
300 2HG MET 57 HG1 MET 57 93.005 -0.707 1.082
301 1HE MET 57 HE1 MET 57 95.017 -3.766 2.709
302 2HE MET 57 HE2 MET 57 95.079 -4.820 1.297
303 3HE MET 57 HE3 MET 57 93.525 -4.412 2.025
304 H HIS 58 HN HIS 58 94.507 -2.251 5.259
305 HA HIS 58 HA HIS 58 93.750 -4.999 5.997
306 1HB HIS 58 HB2 HIS 58 95.995 -4.177 4.652
307 2HB HIS 58 HB1 HIS 58 96.575 -4.253 6.312
308 HD2 HIS 58 HD2 HIS 58 97.587 -6.427 4.075
309 HE1 HIS 58 HE1 HIS 58 95.129 -9.081 6.274
310 HE2 HIS 58 HE2 HIS 58 96.932 -8.901 4.501
311 H GLU 59 HN GLU 59 92.985 -2.548 7.389
312 HA GLU 59 HA GLU 59 93.958 -3.294 10.032
313 1HB GLU 59 HB2 GLU 59 94.487 -0.703 8.686
314 2HB GLU 59 HB1 GLU 59 93.997 -0.624 10.373
315 1HG GLU 59 HG2 GLU 59 96.027 -1.184 11.040
316 2HG GLU 59 HG1 GLU 59 96.003 -2.638 10.043
317 H ASN 60 HN ASN 60 92.705 -1.866 11.724
318 HA ASN 60 HA ASN 60 89.907 -2.256 11.148
319 1HB ASN 60 HB2 ASN 60 91.080 -2.744 13.373
320 2HB ASN 60 HB1 ASN 60 91.046 -1.005 13.642
321 1HD2 ASN 60 1HD2 ASN 60 89.510 -3.774 14.338
322 2HD2 ASN 60 2HD2 ASN 60 87.905 -3.174 14.619
323 H VAL 61 HN VAL 61 89.703 -0.659 9.446
324 HA VAL 61 HA VAL 61 89.089 1.381 8.623
325 HB VAL 61 HB VAL 61 88.522 2.310 11.420
326 1HG1 VAL 61 1HG1 VAL 61 86.515 3.275 10.223
327 2HG1 VAL 61 2HG1 VAL 61 87.298 2.793 8.720
328 3HG1 VAL 61 3HG1 VAL 61 88.081 3.956 9.788
329 1HG2 VAL 61 1HG2 VAL 61 86.481 1.122 11.529
330 2HG2 VAL 61 2HG2 VAL 61 87.718 -0.063 11.114
331 3HG2 VAL 61 3HG2 VAL 61 86.636 0.559 9.866
332 H LEU 62 HN LEU 62 89.617 3.773 8.699
333 HA LEU 62 HA LEU 62 91.323 5.281 8.513
334 1HB LEU 62 HB2 LEU 62 92.142 6.042 10.746
335 2HB LEU 62 HB1 LEU 62 90.400 5.910 10.624
336 HG LEU 62 HG LEU 62 91.820 3.562 11.734
337 1HD1 LEU 62 1HD1 LEU 62 92.087 4.521 13.912
338 2HD1 LEU 62 2HD1 LEU 62 91.446 6.067 13.354
339 3HD1 LEU 62 3HD1 LEU 62 92.996 5.484 12.748
340 1HD2 LEU 62 1HD2 LEU 62 89.840 3.170 12.783
341 2HD2 LEU 62 2HD2 LEU 62 89.243 4.134 11.433
342 3HD2 LEU 62 3HD2 LEU 62 89.494 4.885 13.007
343 H LYS 63 HN LYS 63 93.412 4.532 11.028
344 HA LYS 63 HA LYS 63 94.982 2.570 9.602
345 1HB LYS 63 HB2 LYS 63 95.512 5.389 9.346
346 2HB LYS 63 HB1 LYS 63 96.858 4.600 10.158
347 1HG LYS 63 HG2 LYS 63 97.056 3.018 8.323
348 2HG LYS 63 HG1 LYS 63 95.682 3.772 7.513
349 1HD LYS 63 HD2 LYS 63 97.647 5.757 8.211
350 2HD LYS 63 HD1 LYS 63 98.395 4.455 7.284
351 1HE LYS 63 HE2 LYS 63 97.075 4.837 5.430
352 2HE LYS 63 HE1 LYS 63 95.802 5.618 6.369
353 1HZ LYS 63 HZ1 LYS 63 97.299 7.509 6.704
354 2HZ LYS 63 HZ2 LYS 63 96.987 7.240 5.065
355 3HZ LYS 63 HZ3 LYS 63 98.465 6.766 5.732
Start of MODEL 20
1 H ARG 16 HN ARG 16 91.104 -11.367 -6.580
2 HA ARG 16 HA ARG 16 92.810 -12.787 -4.824
3 1HB ARG 16 HB2 ARG 16 93.967 -10.528 -4.990
4 2HB ARG 16 HB1 ARG 16 92.572 -9.859 -4.153
5 1HG ARG 16 HG2 ARG 16 93.034 -11.048 -2.190
6 2HG ARG 16 HG1 ARG 16 94.146 -12.143 -3.015
7 1HD ARG 16 HD2 ARG 16 95.454 -9.920 -3.514
8 2HD ARG 16 HD1 ARG 16 94.561 -9.329 -2.112
9 HE ARG 16 HE ARG 16 96.787 -11.090 -2.089
10 1HH1 ARG 16 1HH1 ARG 16 93.778 -10.418 -0.453
11 2HH1 ARG 16 2HH1 ARG 16 94.298 -11.105 1.050
12 1HH2 ARG 16 1HH2 ARG 16 97.473 -11.991 -0.114
13 2HH2 ARG 16 2HH2 ARG 16 96.395 -11.998 1.243
14 H GLU 17 HN GLU 17 91.870 -13.135 -2.749
15 HA GLU 17 HA GLU 17 89.084 -13.335 -2.752
16 1HB GLU 17 HB2 GLU 17 91.229 -13.702 -0.728
17 2HB GLU 17 HB1 GLU 17 89.584 -13.535 -0.130
18 1HG GLU 17 HG2 GLU 17 90.059 -15.854 -0.379
19 2HG GLU 17 HG1 GLU 17 88.910 -15.391 -1.633
20 H SER 18 HN SER 18 90.624 -11.592 -0.088
21 HA SER 18 HA SER 18 88.432 -9.705 -0.057
22 1HB SER 18 HB2 SER 18 90.006 -10.820 1.907
23 2HB SER 18 HB1 SER 18 90.650 -9.182 1.786
24 HG SER 18 HG SER 18 88.349 -8.526 1.908
25 H LYS 19 HN LYS 19 88.665 -7.421 -0.113
26 HA LYS 19 HA LYS 19 91.157 -6.366 -1.194
27 1HB LYS 19 HB2 LYS 19 88.518 -5.601 -2.426
28 2HB LYS 19 HB1 LYS 19 90.133 -5.286 -3.033
29 1HG LYS 19 HG2 LYS 19 89.047 -8.074 -2.798
30 2HG LYS 19 HG1 LYS 19 88.754 -7.064 -4.214
31 1HD LYS 19 HD2 LYS 19 91.385 -6.757 -4.059
32 2HD LYS 19 HD1 LYS 19 91.268 -8.325 -3.263
33 1HE LYS 19 HE2 LYS 19 90.311 -9.332 -5.159
34 2HE LYS 19 HE1 LYS 19 89.936 -7.776 -5.897
35 1HZ LYS 19 HZ1 LYS 19 92.745 -8.273 -5.363
36 2HZ LYS 19 HZ2 LYS 19 92.006 -7.568 -6.711
37 3HZ LYS 19 HZ3 LYS 19 92.048 -9.251 -6.554
38 H CYS 20 HN CYS 20 90.536 -3.821 -1.622
39 HA CYS 20 HA CYS 20 90.047 -2.806 1.024
40 1HB CYS 20 HB2 CYS 20 91.819 -1.834 -0.391
41 2HB CYS 20 HB1 CYS 20 90.594 -1.306 -1.546
42 HA PRO 21 HA PRO 21 86.374 -0.713 -1.536
43 1HB PRO 21 HB2 PRO 21 85.256 -2.730 -3.147
44 2HB PRO 21 HB1 PRO 21 86.088 -1.282 -3.707
45 1HG PRO 21 HG2 PRO 21 87.096 -4.054 -3.423
46 2HG PRO 21 HG1 PRO 21 87.568 -2.795 -4.577
47 1HD PRO 21 HD2 PRO 21 89.119 -3.499 -2.501
48 2HD PRO 21 HD1 PRO 21 89.066 -1.835 -3.105
49 H THR 22 HN THR 22 86.245 -1.392 0.818
50 HA THR 22 HA THR 22 84.389 -3.593 1.281
51 HB THR 22 HB THR 22 85.021 -3.166 3.625
52 HG1 THR 22 HG1 THR 22 86.818 -1.234 2.666
53 1HG2 THR 22 1HG2 THR 22 87.709 -3.102 2.626
54 2HG2 THR 22 2HG2 THR 22 86.699 -4.218 1.707
55 3HG2 THR 22 3HG2 THR 22 86.846 -4.399 3.455
56 HA PRO 23 HA PRO 23 80.786 -1.146 2.255
57 1HB PRO 23 HB2 PRO 23 80.788 -1.058 5.082
58 2HB PRO 23 HB1 PRO 23 79.904 -2.194 4.063
59 1HG PRO 23 HG2 PRO 23 82.498 -2.537 5.473
60 2HG PRO 23 HG1 PRO 23 81.245 -3.737 5.113
61 1HD PRO 23 HD2 PRO 23 83.538 -3.678 3.744
62 2HD PRO 23 HD1 PRO 23 82.005 -4.059 2.941
63 H GLY 24 HN GLY 24 83.833 -0.454 3.775
64 1HA GLY 24 HA2 GLY 24 83.087 2.342 4.234
65 2HA GLY 24 HA1 GLY 24 84.508 1.537 4.879
66 H CYS 25 HN CYS 25 83.792 1.002 1.543
67 HA CYS 25 HA CYS 25 85.218 3.224 0.487
68 1HB CYS 25 HB2 CYS 25 87.109 1.906 1.351
69 2HB CYS 25 HB1 CYS 25 86.594 0.538 0.359
70 H ASP 26 HN ASP 26 85.409 3.181 -1.870
71 HA ASP 26 HA ASP 26 83.267 1.570 -3.046
72 1HB ASP 26 HB2 ASP 26 83.290 4.059 -3.348
73 2HB ASP 26 HB1 ASP 26 84.790 3.892 -4.254
74 H GLY 27 HN GLY 27 86.672 2.443 -3.513
75 1HA GLY 27 HA2 GLY 27 88.403 1.150 -4.351
76 2HA GLY 27 HA1 GLY 27 87.267 -0.154 -4.569
77 H THR 28 HN THR 28 87.056 3.047 -5.893
78 HA THR 28 HA THR 28 87.735 2.095 -8.503
79 HB THR 28 HB THR 28 85.163 2.021 -7.759
80 HG1 THR 28 HG1 THR 28 85.693 2.831 -10.391
81 1HG2 THR 28 1HG2 THR 28 85.051 4.490 -9.393
82 2HG2 THR 28 2HG2 THR 28 85.275 4.632 -7.650
83 3HG2 THR 28 3HG2 THR 28 83.859 3.800 -8.292
84 H GLY 29 HN GLY 29 89.304 3.741 -7.039
85 1HA GLY 29 HA2 GLY 29 89.632 5.973 -8.732
86 2HA GLY 29 HA1 GLY 29 88.837 6.491 -7.253
87 H HIS 30 HN HIS 30 91.403 4.138 -7.881
88 HA HIS 30 HA HIS 30 93.075 3.843 -6.061
89 1HB HIS 30 HB2 HIS 30 93.428 4.069 -8.641
90 2HB HIS 30 HB1 HIS 30 94.414 5.422 -8.177
91 HD2 HIS 30 HD2 HIS 30 94.300 1.539 -7.851
92 HE1 HIS 30 HE1 HIS 30 98.239 2.882 -7.128
93 HE2 HIS 30 HE2 HIS 30 96.734 0.855 -7.288
94 H VAL 31 HN VAL 31 95.269 5.023 -5.553
95 HA VAL 31 HA VAL 31 94.735 6.948 -3.616
96 HB VAL 31 HB VAL 31 96.786 5.547 -3.692
97 1HG1 VAL 31 1HG1 VAL 31 98.630 6.048 -5.059
98 2HG1 VAL 31 2HG1 VAL 31 97.933 7.581 -5.579
99 3HG1 VAL 31 3HG1 VAL 31 97.236 6.061 -6.139
100 1HG2 VAL 31 1HG2 VAL 31 97.525 8.450 -3.483
101 2HG2 VAL 31 2HG2 VAL 31 98.139 7.088 -2.545
102 3HG2 VAL 31 3HG2 VAL 31 96.487 7.654 -2.300
103 H THR 32 HN THR 32 95.301 7.528 -7.024
104 HA THR 32 HA THR 32 95.154 10.402 -6.457
105 HB THR 32 HB THR 32 96.606 10.855 -8.303
106 HG1 THR 32 HG1 THR 32 96.242 8.125 -8.874
107 1HG2 THR 32 1HG2 THR 32 98.605 10.210 -7.491
108 2HG2 THR 32 2HG2 THR 32 98.118 8.524 -7.315
109 3HG2 THR 32 3HG2 THR 32 97.615 9.719 -6.117
110 H GLY 33 HN GLY 33 93.617 7.755 -7.713
111 1HA GLY 33 HA2 GLY 33 91.722 7.529 -8.972
112 2HA GLY 33 HA1 GLY 33 91.635 9.283 -9.009
113 H LEU 34 HN LEU 34 94.630 8.084 -9.891
114 HA LEU 34 HA LEU 34 94.112 8.706 -12.688
115 1HB LEU 34 HB2 LEU 34 96.770 8.372 -11.325
116 2HB LEU 34 HB1 LEU 34 96.478 9.018 -12.933
117 HG LEU 34 HG LEU 34 95.298 10.283 -10.507
118 1HD1 LEU 34 1HD1 LEU 34 97.174 11.542 -10.066
119 2HD1 LEU 34 2HD1 LEU 34 97.803 11.370 -11.704
120 3HD1 LEU 34 3HD1 LEU 34 97.926 10.028 -10.568
121 1HD2 LEU 34 1HD2 LEU 34 94.278 11.123 -12.420
122 2HD2 LEU 34 2HD2 LEU 34 95.778 11.107 -13.344
123 3HD2 LEU 34 3HD2 LEU 34 95.537 12.309 -12.077
124 H TYR 35 HN TYR 35 94.005 6.170 -10.746
125 HA TYR 35 HA TYR 35 95.182 4.326 -12.712
126 1HB TYR 35 HB2 TYR 35 94.558 3.698 -9.843
127 2HB TYR 35 HB1 TYR 35 95.422 2.674 -10.969
128 HD1 TYR 35 HD1 TYR 35 95.708 6.189 -9.806
129 HD2 TYR 35 HD2 TYR 35 97.676 2.499 -10.458
130 HE1 TYR 35 HE1 TYR 35 97.821 7.190 -9.031
131 HE2 TYR 35 HE2 TYR 35 99.794 3.479 -9.703
132 HH TYR 35 HH TYR 35 100.838 5.633 -9.444
133 HA PRO 36 HA PRO 36 91.087 2.857 -13.438
134 1HB PRO 36 HB2 PRO 36 91.450 0.217 -13.929
135 2HB PRO 36 HB1 PRO 36 91.941 1.472 -15.073
136 1HG PRO 36 HG2 PRO 36 93.599 -0.067 -13.117
137 2HG PRO 36 HG1 PRO 36 93.978 0.400 -14.784
138 1HD PRO 36 HD2 PRO 36 94.926 1.726 -12.596
139 2HD PRO 36 HD1 PRO 36 94.660 2.503 -14.168
140 H HIS 37 HN HIS 37 91.514 3.229 -10.726
141 HA HIS 37 HA HIS 37 90.273 2.702 -8.853
142 1HB HIS 37 HB2 HIS 37 90.036 -0.167 -9.713
143 2HB HIS 37 HB1 HIS 37 89.033 0.730 -8.587
144 HD2 HIS 37 HD2 HIS 37 88.198 3.203 -10.559
145 HE1 HIS 37 HE1 HIS 37 86.766 0.100 -13.055
146 HE2 HIS 37 HE2 HIS 37 86.782 2.603 -12.648
147 H HIS 38 HN HIS 38 90.580 0.752 -7.171
148 HA HIS 38 HA HIS 38 93.420 0.014 -7.241
149 1HB HIS 38 HB2 HIS 38 93.621 0.479 -4.807
150 2HB HIS 38 HB1 HIS 38 93.402 1.911 -5.797
151 HD1 HIS 38 HD1 HIS 38 91.250 3.279 -5.424
152 HD2 HIS 38 HD2 HIS 38 91.578 -0.107 -3.048
153 HE1 HIS 38 HE1 HIS 38 89.500 3.519 -3.599
154 H ARG 39 HN ARG 39 93.697 -2.039 -7.098
155 HA ARG 39 HA ARG 39 91.732 -3.928 -6.773
156 1HB ARG 39 HB2 ARG 39 93.557 -5.554 -6.427
157 2HB ARG 39 HB1 ARG 39 93.871 -4.459 -7.766
158 1HG ARG 39 HG2 ARG 39 95.755 -3.749 -6.846
159 2HG ARG 39 HG1 ARG 39 94.952 -3.406 -5.314
160 1HD ARG 39 HD2 ARG 39 95.496 -5.432 -4.414
161 2HD ARG 39 HD1 ARG 39 95.504 -6.246 -5.979
162 HE ARG 39 HE ARG 39 97.638 -4.338 -5.591
163 1HH1 ARG 39 1HH1 ARG 39 96.640 -7.669 -5.250
164 2HH1 ARG 39 2HH1 ARG 39 98.259 -8.282 -5.247
165 1HH2 ARG 39 1HH2 ARG 39 99.764 -5.146 -5.585
166 2HH2 ARG 39 2HH2 ARG 39 100.033 -6.851 -5.436
167 H SER 40 HN SER 40 93.623 -2.327 -4.299
168 HA SER 40 HA SER 40 91.958 -2.608 -2.209
169 1HB SER 40 HB2 SER 40 91.831 -4.958 -2.200
170 2HB SER 40 HB1 SER 40 93.548 -5.140 -2.551
171 HG SER 40 HG SER 40 93.346 -5.570 -0.414
172 H LEU 41 HN LEU 41 93.038 -0.653 -1.689
173 HA LEU 41 HA LEU 41 94.442 0.534 -0.350
174 1HB LEU 41 HB2 LEU 41 96.165 -1.883 0.071
175 2HB LEU 41 HB1 LEU 41 95.931 -0.505 1.130
176 HG LEU 41 HG LEU 41 93.595 -2.269 0.541
177 1HD1 LEU 41 1HD1 LEU 41 95.549 -2.889 2.736
178 2HD1 LEU 41 2HD1 LEU 41 95.603 -3.695 1.169
179 3HD1 LEU 41 3HD1 LEU 41 94.173 -3.847 2.188
180 1HD2 LEU 41 1HD2 LEU 41 94.170 -1.248 3.228
181 2HD2 LEU 41 2HD2 LEU 41 92.667 -1.256 2.306
182 3HD2 LEU 41 3HD2 LEU 41 93.886 -0.020 1.995
183 H SER 42 HN SER 42 95.708 -1.517 -2.867
184 HA SER 42 HA SER 42 98.276 -0.588 -3.193
185 1HB SER 42 HB2 SER 42 96.583 -2.188 -4.655
186 2HB SER 42 HB1 SER 42 96.792 -0.801 -5.724
187 HG SER 42 HG SER 42 98.912 -1.208 -5.868
188 H GLY 43 HN GLY 43 95.292 1.085 -3.651
189 1HA GLY 43 HA2 GLY 43 96.769 3.458 -4.509
190 2HA GLY 43 HA1 GLY 43 95.268 3.009 -5.288
191 H CYS 44 HN CYS 44 93.362 3.128 -4.188
192 HA CYS 44 HA CYS 44 91.845 4.362 -2.956
193 1HB CYS 44 HB2 CYS 44 92.872 2.417 -1.445
194 2HB CYS 44 HB1 CYS 44 93.409 3.792 -0.485
195 HA PRO 45 HA PRO 45 94.003 8.308 -2.111
196 1HB PRO 45 HB2 PRO 45 92.473 9.858 -3.527
197 2HB PRO 45 HB1 PRO 45 93.305 8.552 -4.380
198 1HG PRO 45 HG2 PRO 45 90.467 8.652 -3.415
199 2HG PRO 45 HG1 PRO 45 91.082 8.136 -4.993
200 1HD PRO 45 HD2 PRO 45 90.515 6.444 -2.828
201 2HD PRO 45 HD1 PRO 45 91.511 6.012 -4.231
202 H HIS 46 HN HIS 46 91.043 7.143 -1.062
203 HA HIS 46 HA HIS 46 89.722 9.430 -0.174
204 1HB HIS 46 HB2 HIS 46 89.531 6.706 1.086
205 2HB HIS 46 HB1 HIS 46 88.309 7.953 1.010
206 HD2 HIS 46 HD2 HIS 46 88.925 4.735 -0.561
207 HE1 HIS 46 HE1 HIS 46 86.897 6.975 -3.492
208 HE2 HIS 46 HE2 HIS 46 87.760 4.688 -2.865
209 H LYS 47 HN LYS 47 90.925 7.056 2.150
210 HA LYS 47 HA LYS 47 91.817 7.221 4.207
211 1HB LYS 47 HB2 LYS 47 93.735 8.574 4.503
212 2HB LYS 47 HB1 LYS 47 93.730 8.056 2.828
213 1HG LYS 47 HG2 LYS 47 93.517 10.155 2.042
214 2HG LYS 47 HG1 LYS 47 92.469 10.666 3.362
215 1HD LYS 47 HD2 LYS 47 94.296 11.024 4.810
216 2HD LYS 47 HD1 LYS 47 95.404 10.140 3.757
217 1HE LYS 47 HE2 LYS 47 95.484 11.874 2.193
218 2HE LYS 47 HE1 LYS 47 94.015 12.624 2.812
219 1HZ LYS 47 HZ1 LYS 47 95.125 13.569 4.563
220 2HZ LYS 47 HZ2 LYS 47 96.322 13.632 3.370
221 3HZ LYS 47 HZ3 LYS 47 96.372 12.426 4.555
222 H ASP 48 HN ASP 48 89.346 7.958 4.492
223 HA ASP 48 HA ASP 48 89.484 10.429 6.116
224 1HB ASP 48 HB2 ASP 48 87.868 10.123 3.933
225 2HB ASP 48 HB1 ASP 48 86.794 9.627 5.240
226 H ARG 49 HN ARG 49 89.047 7.127 6.115
227 HA ARG 49 HA ARG 49 88.266 5.592 7.594
228 1HB ARG 49 HB2 ARG 49 90.205 6.570 8.758
229 2HB ARG 49 HB1 ARG 49 89.121 7.677 9.591
230 1HG ARG 49 HG2 ARG 49 87.950 5.348 10.222
231 2HG ARG 49 HG1 ARG 49 89.616 4.805 10.037
232 1HD ARG 49 HD2 ARG 49 89.348 5.401 12.314
233 2HD ARG 49 HD1 ARG 49 90.289 6.686 11.559
234 HE ARG 49 HE ARG 49 87.394 7.030 11.813
235 1HH1 ARG 49 1HH1 ARG 49 90.614 7.927 12.839
236 2HH1 ARG 49 2HH1 ARG 49 90.091 9.383 13.614
237 1HH2 ARG 49 1HH2 ARG 49 86.714 8.942 12.831
238 2HH2 ARG 49 2HH2 ARG 49 87.878 9.959 13.612
239 H VAL 50 HN VAL 50 86.034 6.859 6.663
240 HA VAL 50 HA VAL 50 84.229 6.454 8.853
241 HB VAL 50 HB VAL 50 84.102 9.208 7.608
242 1HG1 VAL 50 1HG1 VAL 50 81.948 8.582 8.243
243 2HG1 VAL 50 2HG1 VAL 50 82.544 9.531 9.604
244 3HG1 VAL 50 3HG1 VAL 50 82.514 7.770 9.701
245 1HG2 VAL 50 1HG2 VAL 50 84.798 10.058 9.809
246 2HG2 VAL 50 2HG2 VAL 50 86.059 9.106 9.034
247 3HG2 VAL 50 3HG2 VAL 50 85.102 8.404 10.336
248 HA PRO 51 HA PRO 51 81.824 6.660 4.778
249 1HB PRO 51 HB2 PRO 51 82.764 8.361 2.812
250 2HB PRO 51 HB1 PRO 51 81.700 8.865 4.125
251 1HG PRO 51 HG2 PRO 51 84.410 9.644 3.659
252 2HG PRO 51 HG1 PRO 51 83.364 10.111 5.009
253 1HD PRO 51 HD2 PRO 51 85.423 7.974 4.864
254 2HD PRO 51 HD1 PRO 51 84.881 8.924 6.256
255 HA PRO 52 HA PRO 52 83.752 3.928 1.810
256 1HB PRO 52 HB2 PRO 52 83.534 5.115 -0.691
257 2HB PRO 52 HB1 PRO 52 82.294 4.114 0.068
258 1HG PRO 52 HG2 PRO 52 82.514 7.088 -0.063
259 2HG PRO 52 HG1 PRO 52 81.073 6.060 -0.181
260 1HD PRO 52 HD2 PRO 52 81.641 7.399 2.060
261 2HD PRO 52 HD1 PRO 52 80.937 5.775 2.119
262 H GLU 53 HN GLU 53 85.802 4.634 2.895
263 HA GLU 53 HA GLU 53 87.540 6.029 1.062
264 1HB GLU 53 HB2 GLU 53 87.411 6.215 4.048
265 2HB GLU 53 HB1 GLU 53 88.830 6.720 3.152
266 1HG GLU 53 HG2 GLU 53 86.728 8.305 3.858
267 2HG GLU 53 HG1 GLU 53 87.926 8.679 2.635
268 H ILE 54 HN ILE 54 88.993 4.920 3.912
269 HA ILE 54 HA ILE 54 89.821 2.372 2.751
270 HB ILE 54 HB ILE 54 92.100 3.578 4.050
271 1HG1 ILE 54 2HG1 ILE 54 91.063 5.063 1.619
272 2HG1 ILE 54 1HG1 ILE 54 91.214 5.699 3.253
273 1HG2 ILE 54 1HG2 ILE 54 91.463 2.038 1.659
274 2HG2 ILE 54 2HG2 ILE 54 92.836 1.923 2.752
275 3HG2 ILE 54 3HG2 ILE 54 92.836 3.124 1.465
276 1HD1 ILE 54 1HD1 ILE 54 93.661 5.328 3.106
277 2HD1 ILE 54 2HD1 ILE 54 93.036 6.497 1.946
278 3HD1 ILE 54 3HD1 ILE 54 93.441 4.865 1.419
279 H LEU 55 HN LEU 55 88.307 3.689 5.152
280 HA LEU 55 HA LEU 55 89.518 3.242 7.546
281 1HB LEU 55 HB2 LEU 55 87.292 2.716 8.476
282 2HB LEU 55 HB1 LEU 55 87.290 4.131 7.446
283 HG LEU 55 HG LEU 55 86.662 1.952 5.773
284 1HD1 LEU 55 1HD1 LEU 55 85.298 1.832 8.441
285 2HD1 LEU 55 2HD1 LEU 55 86.039 0.525 7.517
286 3HD1 LEU 55 3HD1 LEU 55 84.524 1.242 6.971
287 1HD2 LEU 55 1HD2 LEU 55 85.227 3.479 5.050
288 2HD2 LEU 55 2HD2 LEU 55 85.731 4.526 6.374
289 3HD2 LEU 55 3HD2 LEU 55 84.349 3.450 6.576
290 H ALA 56 HN ALA 56 88.235 0.871 5.393
291 HA ALA 56 HA ALA 56 88.789 -1.293 7.202
292 1HB ALA 56 HB1 ALA 56 87.934 -1.919 4.460
293 2HB ALA 56 HB2 ALA 56 86.798 -0.983 5.432
294 3HB ALA 56 HB3 ALA 56 87.360 -2.556 6.001
295 H MET 57 HN MET 57 91.091 0.034 6.548
296 HA MET 57 HA MET 57 92.455 -1.004 4.307
297 1HB MET 57 HB2 MET 57 93.131 0.572 6.690
298 2HB MET 57 HB1 MET 57 94.449 -0.434 6.111
299 1HG MET 57 HG2 MET 57 93.819 0.614 3.790
300 2HG MET 57 HG1 MET 57 93.101 1.869 4.797
301 1HE MET 57 HE1 MET 57 96.585 3.270 3.449
302 2HE MET 57 HE2 MET 57 94.856 3.611 3.529
303 3HE MET 57 HE3 MET 57 95.439 2.203 2.638
304 H HIS 58 HN HIS 58 93.338 -1.665 7.673
305 HA HIS 58 HA HIS 58 93.062 -4.468 7.532
306 1HB HIS 58 HB2 HIS 58 95.114 -3.878 5.996
307 2HB HIS 58 HB1 HIS 58 95.961 -3.703 7.528
308 HD2 HIS 58 HD2 HIS 58 93.454 -6.566 6.469
309 HE1 HIS 58 HE1 HIS 58 97.174 -8.218 7.629
310 HE2 HIS 58 HE2 HIS 58 94.869 -8.727 6.704
311 H GLU 59 HN GLU 59 95.591 -2.346 8.877
312 HA GLU 59 HA GLU 59 94.605 -3.041 11.564
313 1HB GLU 59 HB2 GLU 59 97.135 -3.566 10.444
314 2HB GLU 59 HB1 GLU 59 97.377 -2.253 11.588
315 1HG GLU 59 HG2 GLU 59 95.989 -4.837 12.251
316 2HG GLU 59 HG1 GLU 59 97.700 -4.522 12.539
317 H ASN 60 HN ASN 60 95.770 -0.548 9.419
318 HA ASN 60 HA ASN 60 95.620 1.447 11.554
319 1HB ASN 60 HB2 ASN 60 97.410 1.151 9.489
320 2HB ASN 60 HB1 ASN 60 96.323 2.388 8.862
321 1HD2 ASN 60 1HD2 ASN 60 99.134 2.025 10.343
322 2HD2 ASN 60 2HD2 ASN 60 99.182 3.463 11.315
323 H VAL 61 HN VAL 61 94.944 3.697 10.223
324 HA VAL 61 HA VAL 61 92.357 3.220 8.933
325 HB VAL 61 HB VAL 61 91.415 5.115 10.356
326 1HG1 VAL 61 1HG1 VAL 61 91.344 3.348 12.413
327 2HG1 VAL 61 2HG1 VAL 61 91.834 2.301 11.081
328 3HG1 VAL 61 3HG1 VAL 61 90.342 3.234 10.967
329 1HG2 VAL 61 1HG2 VAL 61 93.615 5.823 11.262
330 2HG2 VAL 61 2HG2 VAL 61 93.666 4.329 12.198
331 3HG2 VAL 61 3HG2 VAL 61 92.404 5.521 12.510
332 H LEU 62 HN LEU 62 91.571 5.032 7.698
333 HA LEU 62 HA LEU 62 92.089 6.491 5.982
334 1HB LEU 62 HB2 LEU 62 92.294 8.748 6.787
335 2HB LEU 62 HB1 LEU 62 91.192 7.859 7.816
336 HG LEU 62 HG LEU 62 93.780 7.650 8.972
337 1HD1 LEU 62 1HD1 LEU 62 94.787 9.616 8.770
338 2HD1 LEU 62 2HD1 LEU 62 93.294 10.493 9.110
339 3HD1 LEU 62 3HD1 LEU 62 93.660 9.979 7.464
340 1HD2 LEU 62 1HD2 LEU 62 92.447 9.325 10.602
341 2HD2 LEU 62 2HD2 LEU 62 92.167 7.586 10.548
342 3HD2 LEU 62 3HD2 LEU 62 91.105 8.677 9.659
343 H LYS 63 HN LYS 63 93.847 5.431 4.992
344 HA LYS 63 HA LYS 63 95.916 5.382 4.044
345 1HB LYS 63 HB2 LYS 63 95.553 8.092 4.804
346 2HB LYS 63 HB1 LYS 63 97.202 7.653 5.227
347 1HG LYS 63 HG2 LYS 63 96.590 6.648 2.621
348 2HG LYS 63 HG1 LYS 63 96.190 8.364 2.705
349 1HD LYS 63 HD2 LYS 63 98.413 8.906 3.431
350 2HD LYS 63 HD1 LYS 63 98.828 7.199 3.588
351 1HE LYS 63 HE2 LYS 63 98.078 7.225 1.021
352 2HE LYS 63 HE1 LYS 63 98.620 8.897 1.170
353 1HZ LYS 63 HZ1 LYS 63 100.639 7.641 2.335
354 2HZ LYS 63 HZ2 LYS 63 100.592 7.960 0.673
355 3HZ LYS 63 HZ3 LYS 63 100.160 6.431 1.254
Start of MODEL 21
1 H ARG 16 HN ARG 16 101.301 -9.204 -3.507
2 HA ARG 16 HA ARG 16 98.696 -10.155 -3.690
3 1HB ARG 16 HB2 ARG 16 100.979 -11.324 -2.087
4 2HB ARG 16 HB1 ARG 16 99.533 -12.188 -2.594
5 1HG ARG 16 HG2 ARG 16 100.261 -11.516 -4.983
6 2HG ARG 16 HG1 ARG 16 101.835 -11.229 -4.240
7 1HD ARG 16 HD2 ARG 16 101.795 -13.460 -5.110
8 2HD ARG 16 HD1 ARG 16 101.778 -13.545 -3.350
9 HE ARG 16 HE ARG 16 99.219 -13.753 -3.757
10 1HH1 ARG 16 1HH1 ARG 16 101.753 -15.179 -5.698
11 2HH1 ARG 16 2HH1 ARG 16 100.777 -16.514 -6.208
12 1HH2 ARG 16 1HH2 ARG 16 97.944 -15.513 -4.427
13 2HH2 ARG 16 2HH2 ARG 16 98.619 -16.704 -5.488
14 H GLU 17 HN GLU 17 97.089 -9.297 -2.516
15 HA GLU 17 HA GLU 17 97.045 -9.784 0.324
16 1HB GLU 17 HB2 GLU 17 97.619 -7.128 -0.742
17 2HB GLU 17 HB1 GLU 17 96.209 -7.140 0.307
18 1HG GLU 17 HG2 GLU 17 97.443 -7.378 2.140
19 2HG GLU 17 HG1 GLU 17 98.436 -8.639 1.413
20 H SER 18 HN SER 18 94.871 -8.367 1.094
21 HA SER 18 HA SER 18 92.762 -9.651 -0.424
22 1HB SER 18 HB2 SER 18 91.366 -8.464 1.476
23 2HB SER 18 HB1 SER 18 92.325 -9.898 1.836
24 HG SER 18 HG SER 18 92.959 -8.509 3.361
25 H LYS 19 HN LYS 19 90.701 -8.348 -0.828
26 HA LYS 19 HA LYS 19 91.401 -6.091 -2.415
27 1HB LYS 19 HB2 LYS 19 88.649 -7.155 -1.786
28 2HB LYS 19 HB1 LYS 19 89.095 -6.100 -3.120
29 1HG LYS 19 HG2 LYS 19 90.742 -8.214 -3.549
30 2HG LYS 19 HG1 LYS 19 89.333 -9.010 -2.849
31 1HD LYS 19 HD2 LYS 19 88.614 -7.006 -4.836
32 2HD LYS 19 HD1 LYS 19 89.651 -8.274 -5.494
33 1HE LYS 19 HE2 LYS 19 87.709 -9.376 -5.765
34 2HE LYS 19 HE1 LYS 19 87.910 -9.756 -4.055
35 1HZ LYS 19 HZ1 LYS 19 85.830 -8.907 -3.988
36 2HZ LYS 19 HZ2 LYS 19 86.047 -7.920 -5.345
37 3HZ LYS 19 HZ3 LYS 19 86.667 -7.442 -3.846
38 H CYS 20 HN CYS 20 89.444 -4.315 -2.226
39 HA CYS 20 HA CYS 20 89.644 -3.266 0.515
40 1HB CYS 20 HB2 CYS 20 90.930 -2.114 -1.320
41 2HB CYS 20 HB1 CYS 20 89.379 -1.638 -1.999
42 HA PRO 21 HA PRO 21 85.119 -3.085 -1.230
43 1HB PRO 21 HB2 PRO 21 84.052 -5.342 -0.089
44 2HB PRO 21 HB1 PRO 21 84.597 -5.244 -1.767
45 1HG PRO 21 HG2 PRO 21 86.004 -6.357 0.622
46 2HG PRO 21 HG1 PRO 21 85.939 -6.986 -1.035
47 1HD PRO 21 HD2 PRO 21 88.078 -5.650 -0.092
48 2HD PRO 21 HD1 PRO 21 87.562 -5.522 -1.787
49 H THR 22 HN THR 22 85.849 -1.435 0.567
50 HA THR 22 HA THR 22 85.038 -2.204 3.236
51 HB THR 22 HB THR 22 85.911 0.415 2.012
52 HG1 THR 22 HG1 THR 22 87.793 -0.211 2.648
53 1HG2 THR 22 1HG2 THR 22 86.087 0.536 4.824
54 2HG2 THR 22 2HG2 THR 22 84.427 0.123 4.409
55 3HG2 THR 22 3HG2 THR 22 85.171 1.573 3.737
56 HA PRO 23 HA PRO 23 80.653 -1.581 2.906
57 1HB PRO 23 HB2 PRO 23 81.116 -0.063 5.448
58 2HB PRO 23 HB1 PRO 23 79.870 -1.258 5.068
59 1HG PRO 23 HG2 PRO 23 82.004 -1.926 6.522
60 2HG PRO 23 HG1 PRO 23 81.315 -3.048 5.334
61 1HD PRO 23 HD2 PRO 23 83.828 -1.483 5.217
62 2HD PRO 23 HD1 PRO 23 83.416 -3.016 4.428
63 H GLY 24 HN GLY 24 82.926 1.001 3.531
64 1HA GLY 24 HA2 GLY 24 81.006 2.976 2.523
65 2HA GLY 24 HA1 GLY 24 82.465 3.340 3.431
66 H CYS 25 HN CYS 25 84.452 2.028 2.064
67 HA CYS 25 HA CYS 25 85.175 3.730 0.079
68 1HB CYS 25 HB2 CYS 25 86.703 1.938 0.997
69 2HB CYS 25 HB1 CYS 25 85.858 0.783 -0.047
70 H ASP 26 HN ASP 26 85.263 3.635 -2.274
71 HA ASP 26 HA ASP 26 82.778 2.467 -3.319
72 1HB ASP 26 HB2 ASP 26 83.269 4.946 -3.542
73 2HB ASP 26 HB1 ASP 26 84.542 4.506 -4.675
74 H GLY 27 HN GLY 27 86.263 2.510 -3.835
75 1HA GLY 27 HA2 GLY 27 87.559 0.871 -4.878
76 2HA GLY 27 HA1 GLY 27 86.085 0.057 -5.364
77 H THR 28 HN THR 28 86.873 3.364 -5.828
78 HA THR 28 HA THR 28 87.579 3.144 -8.553
79 HB THR 28 HB THR 28 84.830 3.714 -7.688
80 HG1 THR 28 HG1 THR 28 85.395 2.013 -9.095
81 1HG2 THR 28 1HG2 THR 28 84.486 5.133 -9.819
82 2HG2 THR 28 2HG2 THR 28 86.174 5.583 -9.575
83 3HG2 THR 28 3HG2 THR 28 84.981 5.908 -8.314
84 H GLY 29 HN GLY 29 89.271 4.042 -6.975
85 1HA GLY 29 HA2 GLY 29 89.708 6.754 -7.532
86 2HA GLY 29 HA1 GLY 29 89.039 6.633 -5.908
87 H HIS 30 HN HIS 30 91.350 4.742 -7.807
88 HA HIS 30 HA HIS 30 92.969 3.687 -5.963
89 1HB HIS 30 HB2 HIS 30 93.077 3.886 -8.559
90 2HB HIS 30 HB1 HIS 30 94.325 5.048 -8.237
91 HD2 HIS 30 HD2 HIS 30 93.639 1.233 -8.064
92 HE1 HIS 30 HE1 HIS 30 97.765 1.909 -7.443
93 HE2 HIS 30 HE2 HIS 30 95.955 0.154 -7.652
94 H VAL 31 HN VAL 31 95.334 4.349 -5.615
95 HA VAL 31 HA VAL 31 95.445 6.183 -3.622
96 HB VAL 31 HB VAL 31 97.206 4.523 -4.067
97 1HG1 VAL 31 1HG1 VAL 31 97.388 5.885 -6.558
98 2HG1 VAL 31 2HG1 VAL 31 98.218 4.420 -6.036
99 3HG1 VAL 31 3HG1 VAL 31 98.949 5.997 -5.743
100 1HG2 VAL 31 1HG2 VAL 31 99.117 6.493 -3.834
101 2HG2 VAL 31 2HG2 VAL 31 98.178 5.798 -2.513
102 3HG2 VAL 31 3HG2 VAL 31 97.645 7.292 -3.282
103 H THR 32 HN THR 32 95.746 6.931 -7.059
104 HA THR 32 HA THR 32 95.987 9.758 -6.315
105 HB THR 32 HB THR 32 97.399 10.170 -8.183
106 HG1 THR 32 HG1 THR 32 96.537 7.637 -9.007
107 1HG2 THR 32 1HG2 THR 32 99.339 9.093 -7.670
108 2HG2 THR 32 2HG2 THR 32 98.545 7.532 -7.454
109 3HG2 THR 32 3HG2 THR 32 98.405 8.776 -6.208
110 H GLY 33 HN GLY 33 94.046 7.409 -7.603
111 1HA GLY 33 HA2 GLY 33 92.070 7.496 -8.746
112 2HA GLY 33 HA1 GLY 33 92.196 9.247 -8.663
113 H LEU 34 HN LEU 34 94.936 7.722 -9.830
114 HA LEU 34 HA LEU 34 94.343 8.608 -12.548
115 1HB LEU 34 HB2 LEU 34 97.015 7.877 -11.379
116 2HB LEU 34 HB1 LEU 34 96.716 8.638 -12.937
117 HG LEU 34 HG LEU 34 95.849 9.898 -10.378
118 1HD1 LEU 34 1HD1 LEU 34 98.431 9.347 -10.691
119 2HD1 LEU 34 2HD1 LEU 34 97.883 10.869 -9.990
120 3HD1 LEU 34 3HD1 LEU 34 98.361 10.800 -11.686
121 1HD2 LEU 34 1HD2 LEU 34 96.669 11.376 -12.828
122 2HD2 LEU 34 2HD2 LEU 34 95.467 11.793 -11.606
123 3HD2 LEU 34 3HD2 LEU 34 95.108 10.554 -12.811
124 H TYR 35 HN TYR 35 93.985 6.024 -10.775
125 HA TYR 35 HA TYR 35 94.865 4.134 -12.840
126 1HB TYR 35 HB2 TYR 35 94.133 3.449 -10.007
127 2HB TYR 35 HB1 TYR 35 94.860 2.383 -11.190
128 HD1 TYR 35 HD1 TYR 35 95.615 5.737 -9.793
129 HD2 TYR 35 HD2 TYR 35 97.062 1.878 -10.727
130 HE1 TYR 35 HE1 TYR 35 97.832 6.369 -8.918
131 HE2 TYR 35 HE2 TYR 35 99.283 2.486 -9.883
132 HH TYR 35 HH TYR 35 100.277 4.095 -8.328
133 HA PRO 36 HA PRO 36 90.592 3.263 -13.588
134 1HB PRO 36 HB2 PRO 36 90.561 0.623 -14.167
135 2HB PRO 36 HB1 PRO 36 91.267 1.818 -15.263
136 1HG PRO 36 HG2 PRO 36 92.626 -0.010 -13.324
137 2HG PRO 36 HG1 PRO 36 93.099 0.422 -14.978
138 1HD PRO 36 HD2 PRO 36 94.211 1.545 -12.750
139 2HD PRO 36 HD1 PRO 36 94.096 2.380 -14.311
140 H HIS 37 HN HIS 37 91.138 3.446 -10.846
141 HA HIS 37 HA HIS 37 89.885 3.047 -8.964
142 1HB HIS 37 HB2 HIS 37 89.057 0.344 -9.995
143 2HB HIS 37 HB1 HIS 37 88.289 1.339 -8.768
144 HD2 HIS 37 HD2 HIS 37 87.909 4.070 -10.518
145 HE1 HIS 37 HE1 HIS 37 85.802 1.519 -13.156
146 HE2 HIS 37 HE2 HIS 37 86.363 3.927 -12.596
147 H HIS 38 HN HIS 38 89.827 0.912 -7.429
148 HA HIS 38 HA HIS 38 92.424 -0.413 -7.647
149 1HB HIS 38 HB2 HIS 38 92.973 0.018 -5.295
150 2HB HIS 38 HB1 HIS 38 92.863 1.509 -6.219
151 HD1 HIS 38 HD1 HIS 38 91.099 3.183 -5.531
152 HD2 HIS 38 HD2 HIS 38 90.892 -0.395 -3.441
153 HE1 HIS 38 HE1 HIS 38 89.434 3.555 -3.651
154 H ARG 39 HN ARG 39 89.496 -0.112 -5.695
155 HA ARG 39 HA ARG 39 88.326 -1.634 -4.469
156 1HB ARG 39 HB2 ARG 39 87.253 -3.251 -5.811
157 2HB ARG 39 HB1 ARG 39 87.614 -1.904 -6.878
158 1HG ARG 39 HG2 ARG 39 89.729 -3.901 -6.847
159 2HG ARG 39 HG1 ARG 39 88.172 -4.558 -7.346
160 1HD ARG 39 HD2 ARG 39 89.187 -1.994 -8.512
161 2HD ARG 39 HD1 ARG 39 89.754 -3.545 -9.126
162 HE ARG 39 HE ARG 39 86.873 -3.032 -8.994
163 1HH1 ARG 39 1HH1 ARG 39 89.750 -3.517 -10.924
164 2HH1 ARG 39 2HH1 ARG 39 88.866 -3.795 -12.385
165 1HH2 ARG 39 1HH2 ARG 39 85.722 -3.393 -10.919
166 2HH2 ARG 39 2HH2 ARG 39 86.585 -3.722 -12.385
167 H SER 40 HN SER 40 91.391 -2.000 -4.339
168 HA SER 40 HA SER 40 91.245 -4.430 -2.841
169 1HB SER 40 HB2 SER 40 92.522 -5.870 -4.103
170 2HB SER 40 HB1 SER 40 91.609 -5.020 -5.353
171 HG SER 40 HG SER 40 93.710 -4.962 -5.997
172 H LEU 41 HN LEU 41 92.254 -1.497 -2.695
173 HA LEU 41 HA LEU 41 93.790 -0.436 -1.405
174 1HB LEU 41 HB2 LEU 41 94.930 -3.151 -0.763
175 2HB LEU 41 HB1 LEU 41 95.204 -1.658 0.112
176 HG LEU 41 HG LEU 41 92.389 -2.526 -0.120
177 1HD1 LEU 41 1HD1 LEU 41 92.506 -4.428 1.068
178 2HD1 LEU 41 2HD1 LEU 41 93.814 -3.832 2.087
179 3HD1 LEU 41 3HD1 LEU 41 94.169 -4.492 0.490
180 1HD2 LEU 41 1HD2 LEU 41 93.108 -1.963 2.518
181 2HD2 LEU 41 2HD2 LEU 41 92.278 -0.898 1.383
182 3HD2 LEU 41 3HD2 LEU 41 94.034 -0.831 1.529
183 H SER 42 HN SER 42 94.377 -1.897 -4.202
184 HA SER 42 HA SER 42 97.217 -1.900 -4.349
185 1HB SER 42 HB2 SER 42 95.015 -1.851 -6.406
186 2HB SER 42 HB1 SER 42 96.707 -1.698 -6.883
187 HG SER 42 HG SER 42 97.058 -3.701 -5.725
188 H GLY 43 HN GLY 43 95.071 0.554 -3.851
189 1HA GLY 43 HA2 GLY 43 97.017 2.580 -4.468
190 2HA GLY 43 HA1 GLY 43 95.529 2.685 -5.379
191 H CYS 44 HN CYS 44 93.549 2.564 -4.136
192 HA CYS 44 HA CYS 44 92.289 4.058 -2.759
193 1HB CYS 44 HB2 CYS 44 92.387 1.581 -2.018
194 2HB CYS 44 HB1 CYS 44 93.354 2.179 -0.674
195 HA PRO 45 HA PRO 45 95.224 6.666 -0.327
196 1HB PRO 45 HB2 PRO 45 95.098 8.850 -1.739
197 2HB PRO 45 HB1 PRO 45 95.822 7.428 -2.507
198 1HG PRO 45 HG2 PRO 45 93.084 8.593 -2.868
199 2HG PRO 45 HG1 PRO 45 94.152 7.885 -4.080
200 1HD PRO 45 HD2 PRO 45 92.051 6.576 -2.676
201 2HD PRO 45 HD1 PRO 45 93.239 5.817 -3.744
202 H HIS 46 HN HIS 46 91.959 6.505 -0.724
203 HA HIS 46 HA HIS 46 90.732 8.827 -0.253
204 1HB HIS 46 HB2 HIS 46 90.207 6.165 1.033
205 2HB HIS 46 HB1 HIS 46 89.122 7.533 1.228
206 HD2 HIS 46 HD2 HIS 46 89.279 4.519 -0.818
207 HE1 HIS 46 HE1 HIS 46 87.372 7.353 -3.275
208 HE2 HIS 46 HE2 HIS 46 88.031 4.931 -3.039
209 H LYS 47 HN LYS 47 91.657 6.835 2.592
210 HA LYS 47 HA LYS 47 92.169 7.414 4.722
211 1HB LYS 47 HB2 LYS 47 93.818 8.954 2.979
212 2HB LYS 47 HB1 LYS 47 93.398 9.960 4.358
213 1HG LYS 47 HG2 LYS 47 94.784 8.861 5.694
214 2HG LYS 47 HG1 LYS 47 94.141 7.297 5.191
215 1HD LYS 47 HD2 LYS 47 95.732 8.466 3.090
216 2HD LYS 47 HD1 LYS 47 96.653 8.382 4.592
217 1HE LYS 47 HE2 LYS 47 95.348 5.933 4.441
218 2HE LYS 47 HE1 LYS 47 95.852 6.263 2.783
219 1HZ LYS 47 HZ1 LYS 47 98.102 6.806 3.847
220 2HZ LYS 47 HZ2 LYS 47 97.661 5.180 3.702
221 3HZ LYS 47 HZ3 LYS 47 97.524 5.963 5.194
222 H ASP 48 HN ASP 48 89.737 7.751 4.856
223 HA ASP 48 HA ASP 48 89.232 10.512 5.746
224 1HB ASP 48 HB2 ASP 48 88.033 9.362 3.553
225 2HB ASP 48 HB1 ASP 48 86.862 9.048 4.830
226 H ARG 49 HN ARG 49 89.399 7.280 6.501
227 HA ARG 49 HA ARG 49 88.660 5.964 8.187
228 1HB ARG 49 HB2 ARG 49 89.241 6.742 10.294
229 2HB ARG 49 HB1 ARG 49 90.183 7.765 9.224
230 1HG ARG 49 HG2 ARG 49 87.755 9.108 9.625
231 2HG ARG 49 HG1 ARG 49 88.240 8.493 11.201
232 1HD ARG 49 HD2 ARG 49 89.342 10.502 11.172
233 2HD ARG 49 HD1 ARG 49 90.580 9.440 10.504
234 HE ARG 49 HE ARG 49 88.869 10.710 8.551
235 1HH1 ARG 49 1HH1 ARG 49 91.844 10.909 10.370
236 2HH1 ARG 49 2HH1 ARG 49 92.597 11.998 9.254
237 1HH2 ARG 49 1HH2 ARG 49 89.859 12.142 7.086
238 2HH2 ARG 49 2HH2 ARG 49 91.471 12.700 7.392
239 H VAL 50 HN VAL 50 86.484 7.019 6.687
240 HA VAL 50 HA VAL 50 84.388 6.168 8.338
241 HB VAL 50 HB VAL 50 83.251 8.689 7.823
242 1HG1 VAL 50 1HG1 VAL 50 82.596 7.175 9.581
243 2HG1 VAL 50 2HG1 VAL 50 83.003 8.750 10.262
244 3HG1 VAL 50 3HG1 VAL 50 84.141 7.410 10.397
245 1HG2 VAL 50 1HG2 VAL 50 86.015 8.932 8.935
246 2HG2 VAL 50 2HG2 VAL 50 84.745 9.998 9.507
247 3HG2 VAL 50 3HG2 VAL 50 85.177 9.980 7.801
248 HA PRO 51 HA PRO 51 82.190 7.421 4.288
249 1HB PRO 51 HB2 PRO 51 83.395 9.182 2.599
250 2HB PRO 51 HB1 PRO 51 82.313 9.692 3.902
251 1HG PRO 51 HG2 PRO 51 85.304 9.622 3.836
252 2HG PRO 51 HG1 PRO 51 84.231 10.896 4.441
253 1HD PRO 51 HD2 PRO 51 85.437 9.153 6.099
254 2HD PRO 51 HD1 PRO 51 83.809 9.781 6.418
255 HA PRO 52 HA PRO 52 83.947 4.698 1.273
256 1HB PRO 52 HB2 PRO 52 84.312 6.464 -0.944
257 2HB PRO 52 HB1 PRO 52 83.021 5.286 -0.706
258 1HG PRO 52 HG2 PRO 52 83.032 8.199 -0.196
259 2HG PRO 52 HG1 PRO 52 81.673 7.125 -0.567
260 1HD PRO 52 HD2 PRO 52 82.036 8.132 1.891
261 2HD PRO 52 HD1 PRO 52 81.413 6.488 1.649
262 H GLU 53 HN GLU 53 85.973 4.316 2.180
263 HA GLU 53 HA GLU 53 88.121 5.693 0.927
264 1HB GLU 53 HB2 GLU 53 87.764 7.116 2.777
265 2HB GLU 53 HB1 GLU 53 87.559 5.754 3.863
266 1HG GLU 53 HG2 GLU 53 90.138 5.611 2.698
267 2HG GLU 53 HG1 GLU 53 89.876 7.234 3.305
268 H ILE 54 HN ILE 54 89.025 4.260 3.776
269 HA ILE 54 HA ILE 54 89.451 1.581 2.764
270 HB ILE 54 HB ILE 54 91.896 2.301 4.039
271 1HG1 ILE 54 2HG1 ILE 54 91.307 4.131 1.679
272 2HG1 ILE 54 1HG1 ILE 54 91.493 4.629 3.358
273 1HG2 ILE 54 1HG2 ILE 54 92.602 1.861 1.459
274 2HG2 ILE 54 2HG2 ILE 54 91.005 1.122 1.522
275 3HG2 ILE 54 3HG2 ILE 54 92.255 0.601 2.645
276 1HD1 ILE 54 1HD1 ILE 54 93.525 5.095 2.263
277 2HD1 ILE 54 2HD1 ILE 54 93.587 3.484 1.548
278 3HD1 ILE 54 3HD1 ILE 54 93.806 3.685 3.286
279 H LEU 55 HN LEU 55 88.198 3.415 5.004
280 HA LEU 55 HA LEU 55 89.303 2.812 7.453
281 1HB LEU 55 HB2 LEU 55 87.660 4.463 7.404
282 2HB LEU 55 HB1 LEU 55 86.517 3.430 6.570
283 HG LEU 55 HG LEU 55 86.315 2.078 8.677
284 1HD1 LEU 55 1HD1 LEU 55 87.994 4.329 9.759
285 2HD1 LEU 55 2HD1 LEU 55 88.356 2.603 9.784
286 3HD1 LEU 55 3HD1 LEU 55 87.038 3.242 10.766
287 1HD2 LEU 55 1HD2 LEU 55 85.569 4.812 9.483
288 2HD2 LEU 55 2HD2 LEU 55 84.585 3.356 9.348
289 3HD2 LEU 55 3HD2 LEU 55 84.984 4.286 7.904
290 H ALA 56 HN ALA 56 87.867 0.542 5.396
291 HA ALA 56 HA ALA 56 87.675 -1.322 7.610
292 1HB ALA 56 HB1 ALA 56 85.638 -2.122 7.016
293 2HB ALA 56 HB2 ALA 56 85.874 -1.753 5.308
294 3HB ALA 56 HB3 ALA 56 85.468 -0.463 6.439
295 H MET 57 HN MET 57 90.012 -1.373 6.560
296 HA MET 57 HA MET 57 90.302 -3.939 5.477
297 1HB MET 57 HB2 MET 57 89.389 -2.602 3.471
298 2HB MET 57 HB1 MET 57 90.985 -1.865 3.415
299 1HG MET 57 HG2 MET 57 90.852 -3.708 1.867
300 2HG MET 57 HG1 MET 57 91.996 -4.072 3.157
301 1HE MET 57 HE1 MET 57 87.809 -4.868 3.786
302 2HE MET 57 HE2 MET 57 87.934 -5.716 2.245
303 3HE MET 57 HE3 MET 57 88.400 -4.018 2.357
304 H HIS 58 HN HIS 58 92.305 -4.651 5.857
305 HA HIS 58 HA HIS 58 94.492 -4.690 6.480
306 1HB HIS 58 HB2 HIS 58 94.421 -3.079 4.297
307 2HB HIS 58 HB1 HIS 58 95.106 -1.976 5.486
308 HD2 HIS 58 HD2 HIS 58 97.191 -3.824 7.015
309 HE1 HIS 58 HE1 HIS 58 98.590 -4.853 3.156
310 HE2 HIS 58 HE2 HIS 58 99.052 -5.000 5.643
311 H GLU 59 HN GLU 59 95.688 -4.181 8.266
312 HA GLU 59 HA GLU 59 94.555 -2.900 10.410
313 1HB GLU 59 HB2 GLU 59 96.522 -4.395 10.537
314 2HB GLU 59 HB1 GLU 59 97.517 -3.122 9.840
315 1HG GLU 59 HG2 GLU 59 97.947 -2.455 11.904
316 2HG GLU 59 HG1 GLU 59 96.271 -1.918 12.008
317 H ASN 60 HN ASN 60 96.334 -1.505 7.763
318 HA ASN 60 HA ASN 60 96.747 1.045 9.006
319 1HB ASN 60 HB2 ASN 60 97.182 -0.117 6.294
320 2HB ASN 60 HB1 ASN 60 97.086 1.637 6.431
321 1HD2 ASN 60 1HD2 ASN 60 98.858 2.696 6.959
322 2HD2 ASN 60 2HD2 ASN 60 100.306 1.989 7.609
323 H VAL 61 HN VAL 61 94.324 0.914 9.638
324 HA VAL 61 HA VAL 61 92.646 2.067 7.520
325 HB VAL 61 HB VAL 61 90.790 1.675 9.260
326 1HG1 VAL 61 1HG1 VAL 61 92.168 -0.223 7.498
327 2HG1 VAL 61 2HG1 VAL 61 90.464 0.229 7.578
328 3HG1 VAL 61 3HG1 VAL 61 91.113 -0.964 8.704
329 1HG2 VAL 61 1HG2 VAL 61 92.805 1.106 10.947
330 2HG2 VAL 61 2HG2 VAL 61 92.423 -0.518 10.373
331 3HG2 VAL 61 3HG2 VAL 61 91.173 0.466 11.132
332 H LEU 62 HN LEU 62 91.190 3.832 8.121
333 HA LEU 62 HA LEU 62 90.751 5.889 8.963
334 1HB LEU 62 HB2 LEU 62 92.384 5.070 11.361
335 2HB LEU 62 HB1 LEU 62 91.210 6.369 11.282
336 HG LEU 62 HG LEU 62 89.819 4.044 10.529
337 1HD1 LEU 62 1HD1 LEU 62 91.756 2.813 11.529
338 2HD1 LEU 62 2HD1 LEU 62 90.196 2.479 12.280
339 3HD1 LEU 62 3HD1 LEU 62 91.346 3.554 13.075
340 1HD2 LEU 62 1HD2 LEU 62 89.473 6.208 12.181
341 2HD2 LEU 62 2HD2 LEU 62 89.513 4.857 13.314
342 3HD2 LEU 62 3HD2 LEU 62 88.345 4.866 11.994
343 H LYS 63 HN LYS 63 94.020 5.231 10.222
344 HA LYS 63 HA LYS 63 94.971 7.561 8.692
345 1HB LYS 63 HB2 LYS 63 94.938 7.240 11.477
346 2HB LYS 63 HB1 LYS 63 96.612 6.978 11.004
347 1HG LYS 63 HG2 LYS 63 95.403 9.288 9.704
348 2HG LYS 63 HG1 LYS 63 95.430 9.406 11.465
349 1HD LYS 63 HD2 LYS 63 97.924 8.509 11.036
350 2HD LYS 63 HD1 LYS 63 97.660 9.380 9.524
351 1HE LYS 63 HE2 LYS 63 97.284 11.418 10.645
352 2HE LYS 63 HE1 LYS 63 97.090 10.615 12.203
353 1HZ LYS 63 HZ1 LYS 63 99.543 11.253 10.734
354 2HZ LYS 63 HZ2 LYS 63 99.537 9.875 11.714
355 3HZ LYS 63 HZ3 LYS 63 99.209 11.393 12.387
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