Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588716 | 2ruw RC | 11476 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 9.404 -20.716 2.188
2 H2 GLY 1 2H GLY 1 9.385 -20.545 3.817
3 H3 GLY 1 3H GLY 1 10.452 -21.570 3.115
4 HA2 GLY 1 1HA GLY 1 11.578 -19.560 3.810
5 HA3 GLY 1 2HA GLY 1 11.615 -19.763 2.049
6 H SER 2 H SER 2 11.709 -17.318 3.836
7 HA SER 2 HA SER 2 9.222 -15.896 3.530
8 HB2 SER 2 1HB SER 2 11.994 -14.820 4.159
9 HB3 SER 2 2HB SER 2 10.446 -14.002 4.448
10 HG SER 2 HG SER 2 11.241 -15.047 6.337
11 H SER 3 H SER 3 11.959 -16.219 1.373
12 HA SER 3 HA SER 3 11.204 -13.851 -0.236
13 HB2 SER 3 1HB SER 3 13.295 -14.346 -1.471
14 HB3 SER 3 2HB SER 3 13.531 -14.023 0.254
15 HG SER 3 HG SER 3 14.734 -15.849 -0.468
16 H GLY 4 H GLY 4 10.749 -13.935 -2.439
17 HA2 GLY 4 1HA GLY 4 10.733 -15.969 -4.259
18 HA3 GLY 4 2HA GLY 4 9.235 -16.262 -3.374
19 H SER 5 H SER 5 9.189 -15.747 -6.069
20 HA SER 5 HA SER 5 8.386 -12.937 -6.506
21 HB2 SER 5 1HB SER 5 8.245 -13.640 -8.875
22 HB3 SER 5 2HB SER 5 9.831 -13.934 -8.144
23 HG SER 5 HG SER 5 9.082 -15.738 -9.369
24 H SER 6 H SER 6 6.791 -15.701 -5.459
25 HA SER 6 HA SER 6 4.321 -15.464 -6.936
26 HB2 SER 6 1HB SER 6 4.957 -17.054 -4.428
27 HB3 SER 6 2HB SER 6 3.536 -17.255 -5.473
28 HG SER 6 HG SER 6 5.202 -18.755 -5.978
29 H GLY 7 H GLY 7 4.258 -13.037 -6.335
30 HA2 GLY 7 1HA GLY 7 2.023 -12.676 -4.482
31 HA3 GLY 7 2HA GLY 7 3.506 -11.878 -3.956
32 H ILE 8 H ILE 8 1.262 -10.413 -4.412
33 HA ILE 8 HA ILE 8 1.306 -9.240 -7.114
34 HB ILE 8 HB ILE 8 -0.567 -7.895 -6.393
35 HG12 ILE 8 1HG1 ILE 8 -0.323 -9.204 -3.648
36 HG13 ILE 8 2HG1 ILE 8 0.081 -7.525 -4.021
37 HG21 ILE 8 1HG2 ILE 8 -0.850 -10.235 -7.244
38 HG22 ILE 8 2HG2 ILE 8 -0.994 -10.793 -5.563
39 HG23 ILE 8 3HG2 ILE 8 -2.189 -9.671 -6.245
40 HD11 ILE 8 3HD1 ILE 8 -2.288 -7.128 -4.717
41 HD12 ILE 8 1HD1 ILE 8 -2.687 -8.777 -4.175
42 HD13 ILE 8 2HD1 ILE 8 -2.105 -7.581 -3.012
43 H LYS 9 H LYS 9 1.295 -6.871 -7.381
44 HA LYS 9 HA LYS 9 3.080 -5.396 -5.481
45 HB2 LYS 9 1HB LYS 9 3.163 -5.311 -8.521
46 HB3 LYS 9 2HB LYS 9 4.006 -4.181 -7.451
47 HG2 LYS 9 1HG LYS 9 5.257 -6.072 -6.428
48 HG3 LYS 9 2HG LYS 9 4.482 -7.198 -7.550
49 HD2 LYS 9 1HD LYS 9 6.258 -4.854 -8.362
50 HD3 LYS 9 2HD LYS 9 6.776 -6.542 -8.235
51 HE2 LYS 9 1HE LYS 9 5.089 -7.185 -9.959
52 HE3 LYS 9 2HE LYS 9 4.625 -5.487 -10.127
53 HZ1 LYS 9 3HZ LYS 9 7.332 -6.575 -10.698
54 HZ2 LYS 9 1HZ LYS 9 6.904 -5.004 -10.851
55 HZ3 LYS 9 2HZ LYS 9 6.236 -6.132 -11.821
56 H GLN 10 H GLN 10 2.237 -3.638 -4.714
57 HA GLN 10 HA GLN 10 0.093 -2.139 -6.154
58 HB2 GLN 10 1HB GLN 10 0.168 -2.960 -3.216
59 HB3 GLN 10 2HB GLN 10 -0.970 -1.805 -3.899
60 HG2 GLN 10 1HG GLN 10 -0.792 -4.722 -4.754
61 HG3 GLN 10 2HG GLN 10 -1.919 -4.078 -3.580
62 HE21 GLN 10 1HE2 GLN 10 -3.084 -5.377 -5.654
63 HE22 GLN 10 2HE2 GLN 10 -3.802 -4.212 -6.754
64 H HIS 11 H HIS 11 -0.076 0.158 -5.435
65 HA HIS 11 HA HIS 11 2.439 1.199 -4.239
66 HB2 HIS 11 1HB HIS 11 2.887 2.682 -5.989
67 HB3 HIS 11 2HB HIS 11 2.627 1.122 -6.753
68 HD1 HIS 11 1HD HIS 11 1.270 4.650 -6.664
69 HD2 HIS 11 2HD HIS 11 0.135 0.847 -8.067
70 HE1 HIS 11 1HE HIS 11 -0.563 5.043 -8.396
71 H CYS 12 H CYS 12 2.426 3.202 -3.338
72 HA CYS 12 HA CYS 12 -0.122 4.297 -2.392
73 HB2 CYS 12 1HB CYS 12 1.892 4.165 -0.967
74 HB3 CYS 12 2HB CYS 12 2.736 5.260 -2.080
75 H ARG 13 H ARG 13 -0.812 6.327 -2.749
76 HA ARG 13 HA ARG 13 -0.201 7.540 -5.428
77 HB2 ARG 13 1HB ARG 13 -2.950 7.326 -4.119
78 HB3 ARG 13 2HB ARG 13 -2.556 7.970 -5.723
79 HG2 ARG 13 1HG ARG 13 -1.444 5.665 -6.132
80 HG3 ARG 13 2HG ARG 13 -2.381 5.090 -4.758
81 HD2 ARG 13 1HD ARG 13 -4.459 5.499 -5.880
82 HD3 ARG 13 2HD ARG 13 -3.657 6.442 -7.159
83 HE ARG 13 HE ARG 13 -2.484 3.854 -7.107
84 HH11 ARG 13 2HH1 ARG 13 -5.609 5.158 -7.991
85 HH12 ARG 13 1HH1 ARG 13 -5.804 4.020 -9.298
86 HH21 ARG 13 2HH2 ARG 13 -2.691 2.593 -8.853
87 HH22 ARG 13 1HH2 ARG 13 -4.198 2.541 -9.736
88 H PHE 14 H PHE 14 0.349 8.092 -2.388
89 HA PHE 14 HA PHE 14 -0.091 11.058 -2.470
90 HB2 PHE 14 1HB PHE 14 -0.276 9.142 -0.133
91 HB3 PHE 14 2HB PHE 14 -0.537 10.876 -0.058
92 HD1 PHE 14 1HD PHE 14 -1.934 7.626 -1.295
93 HD2 PHE 14 2HD PHE 14 -2.655 11.850 -0.744
94 HE1 PHE 14 1HE PHE 14 -4.350 7.272 -1.713
95 HE2 PHE 14 2HE PHE 14 -5.069 11.488 -1.199
96 HZ PHE 14 HZ PHE 14 -5.919 9.201 -1.686
97 H CYS 15 H CYS 15 2.100 8.418 -1.535
98 HA CYS 15 HA CYS 15 4.319 10.378 -1.531
99 HB2 CYS 15 1HB CYS 15 5.393 9.409 0.355
100 HB3 CYS 15 2HB CYS 15 3.785 9.967 0.804
101 H LYS 16 H LYS 16 3.111 7.864 -3.100
102 HA LYS 16 HA LYS 16 3.799 6.402 -4.660
103 HB2 LYS 16 1HB LYS 16 6.218 8.206 -4.874
104 HB3 LYS 16 2HB LYS 16 5.627 7.081 -6.102
105 HG2 LYS 16 1HG LYS 16 3.442 8.333 -6.140
106 HG3 LYS 16 2HG LYS 16 4.161 9.554 -5.087
107 HD2 LYS 16 1HD LYS 16 5.116 8.761 -7.870
108 HD3 LYS 16 2HD LYS 16 4.218 10.219 -7.473
109 HE2 LYS 16 1HE LYS 16 7.018 9.548 -6.446
110 HE3 LYS 16 2HE LYS 16 6.667 10.579 -7.832
111 HZ1 LYS 16 3HZ LYS 16 5.472 12.091 -6.340
112 HZ2 LYS 16 1HZ LYS 16 7.018 11.914 -5.859
113 HZ3 LYS 16 2HZ LYS 16 5.827 11.159 -5.042
114 H LYS 17 H LYS 17 4.732 5.709 -1.887
115 HA LYS 17 HA LYS 17 6.959 3.877 -2.192
116 HB2 LYS 17 1HB LYS 17 4.577 3.946 -0.284
117 HB3 LYS 17 2HB LYS 17 5.850 2.731 -0.200
118 HG2 LYS 17 1HG LYS 17 7.554 4.572 0.081
119 HG3 LYS 17 2HG LYS 17 6.216 5.727 0.148
120 HD2 LYS 17 1HD LYS 17 6.716 5.246 2.414
121 HD3 LYS 17 2HD LYS 17 5.254 4.307 2.056
122 HE2 LYS 17 1HE LYS 17 6.750 2.298 1.624
123 HE3 LYS 17 2HE LYS 17 8.127 3.276 2.147
124 HZ1 LYS 17 3HZ LYS 17 6.969 3.531 4.314
125 HZ2 LYS 17 1HZ LYS 17 7.287 1.965 3.980
126 HZ3 LYS 17 2HZ LYS 17 5.769 2.531 3.796
127 H LYS 18 H LYS 18 6.669 1.521 -1.937
128 HA LYS 18 HA LYS 18 4.440 0.363 -3.570
129 HB2 LYS 18 1HB LYS 18 7.388 -0.317 -3.807
130 HB3 LYS 18 2HB LYS 18 6.075 -1.278 -4.505
131 HG2 LYS 18 1HG LYS 18 5.308 0.696 -5.809
132 HG3 LYS 18 2HG LYS 18 6.670 1.638 -5.192
133 HD2 LYS 18 1HD LYS 18 6.907 -0.909 -6.853
134 HD3 LYS 18 2HD LYS 18 7.040 0.742 -7.477
135 HE2 LYS 18 1HE LYS 18 8.980 1.152 -5.958
136 HE3 LYS 18 2HE LYS 18 8.882 -0.522 -5.396
137 HZ1 LYS 18 3HZ LYS 18 9.325 -1.246 -7.682
138 HZ2 LYS 18 1HZ LYS 18 10.529 -0.279 -7.159
139 HZ3 LYS 18 2HZ LYS 18 9.417 0.302 -8.201
140 H TYR 19 H TYR 19 3.649 -1.551 -2.997
141 HA TYR 19 HA TYR 19 4.529 -2.823 -0.445
142 HB2 TYR 19 1HB TYR 19 1.842 -1.623 -1.159
143 HB3 TYR 19 2HB TYR 19 1.951 -2.954 -0.019
144 HD1 TYR 19 1HD TYR 19 2.802 0.627 -0.539
145 HD2 TYR 19 2HD TYR 19 2.984 -2.741 2.148
146 HE1 TYR 19 1HE TYR 19 3.537 2.134 1.316
147 HE2 TYR 19 2HE TYR 19 3.683 -1.240 3.997
148 HH TYR 19 HH TYR 19 4.227 0.877 4.605
149 H SER 20 H SER 20 4.110 -4.980 -0.210
150 HA SER 20 HA SER 20 3.679 -6.512 -2.665
151 HB2 SER 20 1HB SER 20 4.301 -7.489 0.139
152 HB3 SER 20 2HB SER 20 4.438 -8.412 -1.370
153 HG SER 20 HG SER 20 6.461 -7.557 -0.689
154 H ASP 21 H ASP 21 1.494 -5.359 -0.408
155 HA ASP 21 HA ASP 21 -0.573 -7.243 -1.275
156 HB2 ASP 21 1HB ASP 21 0.498 -8.224 0.829
157 HB3 ASP 21 2HB ASP 21 -0.114 -6.823 1.704
158 H VAL 22 H VAL 22 -2.615 -6.296 -1.305
159 HA VAL 22 HA VAL 22 -2.718 -3.427 -1.292
160 HB VAL 22 HB VAL 22 -4.026 -5.007 -2.744
161 HG11 VAL 22 1HG1 VAL 22 -6.181 -5.822 -2.061
162 HG12 VAL 22 2HG1 VAL 22 -4.955 -6.493 -0.975
163 HG13 VAL 22 3HG1 VAL 22 -5.994 -5.151 -0.433
164 HG21 VAL 22 3HG2 VAL 22 -5.596 -2.803 -1.350
165 HG22 VAL 22 1HG2 VAL 22 -4.445 -2.582 -2.681
166 HG23 VAL 22 2HG2 VAL 22 -5.941 -3.492 -2.950
167 H LYS 23 H LYS 23 -3.596 -5.817 1.160
168 HA LYS 23 HA LYS 23 -5.058 -3.912 2.852
169 HB2 LYS 23 1HB LYS 23 -3.761 -6.567 3.599
170 HB3 LYS 23 2HB LYS 23 -4.919 -5.664 4.568
171 HG2 LYS 23 1HG LYS 23 -5.482 -6.974 1.870
172 HG3 LYS 23 2HG LYS 23 -5.974 -7.564 3.456
173 HD2 LYS 23 1HD LYS 23 -7.367 -5.510 3.776
174 HD3 LYS 23 2HD LYS 23 -6.933 -4.986 2.131
175 HE2 LYS 23 1HE LYS 23 -7.897 -7.069 1.202
176 HE3 LYS 23 2HE LYS 23 -8.317 -7.613 2.831
177 HZ1 LYS 23 3HZ LYS 23 -9.798 -5.685 3.024
178 HZ2 LYS 23 1HZ LYS 23 -10.218 -6.585 1.731
179 HZ3 LYS 23 2HZ LYS 23 -9.415 -5.182 1.515
180 H ASN 24 H ASN 24 -1.673 -4.911 2.587
181 HA ASN 24 HA ASN 24 -0.807 -3.409 4.916
182 HB2 ASN 24 1HB ASN 24 0.375 -5.387 3.737
183 HB3 ASN 24 2HB ASN 24 0.918 -4.210 2.542
184 HD21 ASN 24 1HD2 ASN 24 3.015 -5.232 3.489
185 HD22 ASN 24 2HD2 ASN 24 3.698 -4.374 4.861
186 H LEU 25 H LEU 25 -1.012 -2.686 1.403
187 HA LEU 25 HA LEU 25 -0.099 0.017 1.524
188 HB2 LEU 25 1HB LEU 25 -0.350 -1.094 -0.597
189 HB3 LEU 25 2HB LEU 25 -2.049 -1.431 -0.298
190 HG LEU 25 HG LEU 25 -2.610 0.956 -0.435
191 HD11 LEU 25 1HD1 LEU 25 0.348 1.326 -1.143
192 HD12 LEU 25 2HD1 LEU 25 -0.455 1.969 0.303
193 HD13 LEU 25 3HD1 LEU 25 -0.916 2.564 -1.290
194 HD21 LEU 25 3HD2 LEU 25 -0.960 0.105 -2.820
195 HD22 LEU 25 1HD2 LEU 25 -2.330 1.227 -2.798
196 HD23 LEU 25 2HD2 LEU 25 -2.605 -0.490 -2.464
197 H ILE 26 H ILE 26 -3.473 -1.269 1.893
198 HA ILE 26 HA ILE 26 -4.623 1.303 2.355
199 HB ILE 26 HB ILE 26 -5.554 -1.507 2.952
200 HG12 ILE 26 1HG1 ILE 26 -6.617 0.606 1.011
201 HG13 ILE 26 2HG1 ILE 26 -5.319 -0.488 0.564
202 HG21 ILE 26 1HG2 ILE 26 -6.648 -0.104 4.651
203 HG22 ILE 26 2HG2 ILE 26 -7.094 1.093 3.415
204 HG23 ILE 26 3HG2 ILE 26 -7.819 -0.530 3.411
205 HD11 ILE 26 3HD1 ILE 26 -6.787 -2.441 0.993
206 HD12 ILE 26 1HD1 ILE 26 -8.140 -1.325 1.313
207 HD13 ILE 26 2HD1 ILE 26 -7.375 -1.361 -0.286
208 H LYS 27 H LYS 27 -3.281 -1.063 4.683
209 HA LYS 27 HA LYS 27 -3.782 0.424 7.070
210 HB2 LYS 27 1HB LYS 27 -3.040 -1.946 6.968
211 HB3 LYS 27 2HB LYS 27 -1.469 -1.422 6.355
212 HG2 LYS 27 1HG LYS 27 -1.101 -0.158 8.511
213 HG3 LYS 27 2HG LYS 27 -2.662 -0.759 9.082
214 HD2 LYS 27 1HD LYS 27 -0.925 -2.124 10.036
215 HD3 LYS 27 2HD LYS 27 -1.788 -3.109 8.843
216 HE2 LYS 27 1HE LYS 27 0.017 -2.643 7.177
217 HE3 LYS 27 2HE LYS 27 0.853 -1.639 8.363
218 HZ1 LYS 27 3HZ LYS 27 0.326 -4.548 8.679
219 HZ2 LYS 27 1HZ LYS 27 1.140 -3.614 9.748
220 HZ3 LYS 27 2HZ LYS 27 1.759 -3.890 8.261
221 H HIS 28 H HIS 28 -1.034 0.646 4.763
222 HA HIS 28 HA HIS 28 0.330 2.772 6.131
223 HB2 HIS 28 1HB HIS 28 1.538 1.581 4.508
224 HB3 HIS 28 2HB HIS 28 0.310 1.769 3.273
225 HD1 HIS 28 1HD HIS 28 2.861 4.013 5.125
226 HD2 HIS 28 2HD HIS 28 0.498 3.809 1.656
227 HE1 HIS 28 1HE HIS 28 3.511 6.029 3.732
228 H ILE 29 H ILE 29 -2.107 2.929 3.463
229 HA ILE 29 HA ILE 29 -2.198 5.744 3.279
230 HB ILE 29 HB ILE 29 -4.296 3.642 2.663
231 HG12 ILE 29 1HG1 ILE 29 -2.592 5.345 0.780
232 HG13 ILE 29 2HG1 ILE 29 -2.095 3.756 1.336
233 HG21 ILE 29 1HG2 ILE 29 -4.379 6.620 1.979
234 HG22 ILE 29 2HG2 ILE 29 -5.497 5.394 1.352
235 HG23 ILE 29 3HG2 ILE 29 -5.502 5.758 3.060
236 HD11 ILE 29 3HD1 ILE 29 -3.081 3.515 -0.844
237 HD12 ILE 29 1HD1 ILE 29 -4.170 2.764 0.341
238 HD13 ILE 29 2HD1 ILE 29 -4.551 4.357 -0.357
239 H ARG 30 H ARG 30 -4.359 3.657 5.287
240 HA ARG 30 HA ARG 30 -5.756 5.930 6.386
241 HB2 ARG 30 1HB ARG 30 -6.950 4.369 7.694
242 HB3 ARG 30 2HB ARG 30 -6.601 3.559 6.161
243 HG2 ARG 30 1HG ARG 30 -4.610 2.473 7.352
244 HG3 ARG 30 2HG ARG 30 -5.280 3.102 8.862
245 HD2 ARG 30 1HD ARG 30 -7.425 1.905 8.358
246 HD3 ARG 30 2HD ARG 30 -6.662 1.235 6.902
247 HE ARG 30 HE ARG 30 -5.254 0.756 9.456
248 HH11 ARG 30 1HH1 ARG 30 -7.577 -0.621 7.224
249 HH12 ARG 30 2HH1 ARG 30 -7.294 -2.244 7.790
250 HH21 ARG 30 2HH2 ARG 30 -4.980 -1.334 10.162
251 HH22 ARG 30 1HH2 ARG 30 -5.867 -2.626 9.412
252 H ASP 31 H ASP 31 -2.693 4.666 7.274
253 HA ASP 31 HA ASP 31 -2.732 5.974 9.931
254 HB2 ASP 31 1HB ASP 31 -1.678 3.762 9.619
255 HB3 ASP 31 2HB ASP 31 -0.540 4.459 8.468
256 H ALA 32 H ALA 32 -1.048 6.325 6.784
257 HA ALA 32 HA ALA 32 0.412 8.685 7.756
258 HB1 ALA 32 1HB ALA 32 1.542 6.798 6.626
259 HB2 ALA 32 2HB ALA 32 0.606 7.128 5.149
260 HB3 ALA 32 3HB ALA 32 1.762 8.329 5.756
261 H HIS 33 H HIS 33 -2.311 8.138 5.590
262 HA HIS 33 HA HIS 33 -2.116 10.964 4.585
263 HB2 HIS 33 1HB HIS 33 -2.982 8.520 3.008
264 HB3 HIS 33 2HB HIS 33 -2.774 10.159 2.402
265 HD1 HIS 33 1HD HIS 33 0.099 10.915 3.236
266 HD2 HIS 33 2HD HIS 33 -1.079 7.062 2.054
267 HE1 HIS 33 1HE HIS 33 2.214 9.763 2.435
268 H ASP 34 H ASP 34 -4.337 8.262 5.186
269 HA ASP 34 HA ASP 34 -6.587 8.081 5.272
270 HB2 ASP 34 1HB ASP 34 -5.809 8.540 7.519
271 HB3 ASP 34 2HB ASP 34 -6.115 10.258 7.303
272 HA PRO 35 HA PRO 35 -7.640 11.626 2.463
273 HB2 PRO 35 1HB PRO 35 -8.378 10.236 0.228
274 HB3 PRO 35 2HB PRO 35 -6.672 10.519 0.684
275 HG2 PRO 35 1HG PRO 35 -8.363 8.062 1.283
276 HG3 PRO 35 2HG PRO 35 -6.745 8.119 0.506
277 HD2 PRO 35 1HD PRO 35 -7.012 7.653 3.157
278 HD3 PRO 35 2HD PRO 35 -5.684 8.686 2.541
279 H GLN 36 H GLN 36 -9.490 9.348 4.084
280 HA GLN 36 HA GLN 36 -12.095 9.939 2.878
281 HB2 GLN 36 1HB GLN 36 -11.388 8.477 5.451
282 HB3 GLN 36 2HB GLN 36 -12.965 8.503 4.668
283 HG2 GLN 36 1HG GLN 36 -10.421 7.231 3.561
284 HG3 GLN 36 2HG GLN 36 -11.826 6.399 4.211
285 HE21 GLN 36 1HE2 GLN 36 -13.971 6.761 2.987
286 HE22 GLN 36 2HE2 GLN 36 -13.835 6.959 1.246
287 H ASP 37 H ASP 37 -10.116 11.622 5.078
288 HA ASP 37 HA ASP 37 -12.111 12.772 6.824
289 HB2 ASP 37 1HB ASP 37 -9.745 12.595 7.426
290 HB3 ASP 37 2HB ASP 37 -9.301 13.673 6.108
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 5.063 -1.519 -22.660
2 H2 GLY 1 2H GLY 1 4.205 -0.499 -21.709
3 H3 GLY 1 3H GLY 1 4.171 -0.322 -23.337
4 HA2 GLY 1 1HA GLY 1 2.122 -1.328 -22.578
5 HA3 GLY 1 2HA GLY 1 3.045 -2.417 -23.628
6 H SER 2 H SER 2 1.058 -3.144 -21.653
7 HA SER 2 HA SER 2 2.593 -5.146 -20.122
8 HB2 SER 2 1HB SER 2 1.393 -4.655 -18.032
9 HB3 SER 2 2HB SER 2 2.421 -3.306 -18.534
10 HG SER 2 HG SER 2 0.337 -2.596 -17.874
11 H SER 3 H SER 3 1.152 -6.774 -19.114
12 HA SER 3 HA SER 3 -1.513 -7.160 -20.370
13 HB2 SER 3 1HB SER 3 0.257 -8.090 -21.913
14 HB3 SER 3 2HB SER 3 0.735 -9.198 -20.615
15 HG SER 3 HG SER 3 -0.788 -10.102 -22.130
16 H GLY 4 H GLY 4 -2.360 -9.439 -19.535
17 HA2 GLY 4 1HA GLY 4 -2.525 -9.445 -16.654
18 HA3 GLY 4 2HA GLY 4 -3.041 -10.742 -17.742
19 H SER 5 H SER 5 -0.286 -11.003 -18.907
20 HA SER 5 HA SER 5 0.943 -12.817 -17.007
21 HB2 SER 5 1HB SER 5 2.651 -13.071 -18.787
22 HB3 SER 5 2HB SER 5 0.995 -13.313 -19.365
23 HG SER 5 HG SER 5 2.240 -11.963 -20.767
24 H SER 6 H SER 6 1.243 -9.380 -17.421
25 HA SER 6 HA SER 6 3.953 -9.124 -16.396
26 HB2 SER 6 1HB SER 6 1.718 -7.069 -16.379
27 HB3 SER 6 2HB SER 6 3.448 -6.762 -16.215
28 HG SER 6 HG SER 6 3.723 -7.550 -18.361
29 H GLY 7 H GLY 7 0.977 -9.929 -14.887
30 HA2 GLY 7 1HA GLY 7 0.503 -10.444 -12.686
31 HA3 GLY 7 2HA GLY 7 2.132 -9.969 -12.219
32 H ILE 8 H ILE 8 0.487 -9.339 -10.406
33 HA ILE 8 HA ILE 8 -0.635 -6.615 -10.764
34 HB ILE 8 HB ILE 8 -1.689 -6.921 -8.597
35 HG12 ILE 8 1HG1 ILE 8 -0.589 -9.770 -8.608
36 HG13 ILE 8 2HG1 ILE 8 -0.004 -8.466 -7.572
37 HG21 ILE 8 1HG2 ILE 8 -2.780 -7.578 -10.749
38 HG22 ILE 8 2HG2 ILE 8 -2.271 -9.256 -10.465
39 HG23 ILE 8 3HG2 ILE 8 -3.400 -8.457 -9.351
40 HD11 ILE 8 3HD1 ILE 8 -2.787 -9.691 -7.504
41 HD12 ILE 8 1HD1 ILE 8 -1.505 -9.841 -6.293
42 HD13 ILE 8 2HD1 ILE 8 -2.280 -8.267 -6.559
43 H LYS 9 H LYS 9 -0.281 -4.953 -9.247
44 HA LYS 9 HA LYS 9 2.196 -4.987 -7.616
45 HB2 LYS 9 1HB LYS 9 2.823 -4.264 -9.922
46 HB3 LYS 9 2HB LYS 9 1.639 -2.957 -9.831
47 HG2 LYS 9 1HG LYS 9 2.912 -1.917 -7.976
48 HG3 LYS 9 2HG LYS 9 4.058 -3.275 -7.991
49 HD2 LYS 9 1HD LYS 9 4.685 -2.710 -10.329
50 HD3 LYS 9 2HD LYS 9 3.533 -1.358 -10.310
51 HE2 LYS 9 1HE LYS 9 4.791 -0.316 -8.436
52 HE3 LYS 9 2HE LYS 9 5.935 -1.668 -8.453
53 HZ1 LYS 9 3HZ LYS 9 5.488 0.204 -10.722
54 HZ2 LYS 9 1HZ LYS 9 6.550 -1.036 -10.726
55 HZ3 LYS 9 2HZ LYS 9 6.779 0.233 -9.728
56 H GLN 10 H GLN 10 2.153 -3.524 -5.905
57 HA GLN 10 HA GLN 10 -0.270 -1.806 -5.573
58 HB2 GLN 10 1HB GLN 10 0.982 -3.605 -3.460
59 HB3 GLN 10 2HB GLN 10 -0.276 -2.415 -3.155
60 HG2 GLN 10 1HG GLN 10 -0.550 -4.867 -4.954
61 HG3 GLN 10 2HG GLN 10 -1.161 -4.720 -3.321
62 HE21 GLN 10 1HE2 GLN 10 -2.885 -5.400 -5.441
63 HE22 GLN 10 2HE2 GLN 10 -3.980 -4.049 -5.686
64 H HIS 11 H HIS 11 0.224 0.239 -5.274
65 HA HIS 11 HA HIS 11 2.567 0.991 -3.681
66 HB2 HIS 11 1HB HIS 11 3.456 2.545 -5.273
67 HB3 HIS 11 2HB HIS 11 3.386 0.959 -6.025
68 HD1 HIS 11 1HD HIS 11 1.571 4.382 -6.146
69 HD2 HIS 11 2HD HIS 11 1.893 0.733 -8.232
70 HE1 HIS 11 1HE HIS 11 0.395 4.726 -8.382
71 H CYS 12 H CYS 12 2.519 3.093 -2.842
72 HA CYS 12 HA CYS 12 -0.057 4.164 -2.151
73 HB2 CYS 12 1HB CYS 12 1.862 4.208 -0.693
74 HB3 CYS 12 2HB CYS 12 2.752 5.249 -1.826
75 H ARG 13 H ARG 13 -1.020 5.971 -2.702
76 HA ARG 13 HA ARG 13 -0.706 7.028 -5.464
77 HB2 ARG 13 1HB ARG 13 -2.885 6.266 -4.729
78 HB3 ARG 13 2HB ARG 13 -2.804 7.252 -3.270
79 HG2 ARG 13 1HG ARG 13 -2.995 9.311 -4.586
80 HG3 ARG 13 2HG ARG 13 -2.997 8.372 -6.100
81 HD2 ARG 13 1HD ARG 13 -5.074 7.274 -5.484
82 HD3 ARG 13 2HD ARG 13 -4.988 7.936 -3.843
83 HE ARG 13 HE ARG 13 -5.109 9.961 -5.965
84 HH11 ARG 13 2HH1 ARG 13 -7.059 8.006 -3.816
85 HH12 ARG 13 1HH1 ARG 13 -8.344 9.184 -3.723
86 HH21 ARG 13 1HH2 ARG 13 -6.872 11.344 -5.981
87 HH22 ARG 13 2HH2 ARG 13 -8.329 10.910 -5.119
88 H PHE 14 H PHE 14 -0.141 7.999 -2.155
89 HA PHE 14 HA PHE 14 0.010 10.876 -2.902
90 HB2 PHE 14 1HB PHE 14 -0.134 9.577 -0.182
91 HB3 PHE 14 2HB PHE 14 -0.371 11.277 -0.552
92 HD1 PHE 14 2HD PHE 14 -2.404 11.912 -2.045
93 HD2 PHE 14 1HD PHE 14 -1.934 8.025 -0.235
94 HE1 PHE 14 2HE PHE 14 -4.820 11.448 -2.401
95 HE2 PHE 14 1HE PHE 14 -4.346 7.568 -0.586
96 HZ PHE 14 HZ PHE 14 -5.790 9.276 -1.678
97 H CYS 15 H CYS 15 2.054 8.321 -1.532
98 HA CYS 15 HA CYS 15 4.372 10.170 -1.766
99 HB2 CYS 15 1HB CYS 15 5.382 9.413 0.199
100 HB3 CYS 15 2HB CYS 15 3.773 10.019 0.570
101 H LYS 16 H LYS 16 3.104 7.606 -3.143
102 HA LYS 16 HA LYS 16 3.777 6.041 -4.633
103 HB2 LYS 16 1HB LYS 16 6.225 7.796 -4.923
104 HB3 LYS 16 2HB LYS 16 5.582 6.680 -6.118
105 HG2 LYS 16 1HG LYS 16 4.255 9.247 -5.160
106 HG3 LYS 16 2HG LYS 16 5.039 8.952 -6.711
107 HD2 LYS 16 1HD LYS 16 3.308 7.113 -7.117
108 HD3 LYS 16 2HD LYS 16 2.429 7.733 -5.714
109 HE2 LYS 16 1HE LYS 16 3.192 9.379 -8.169
110 HE3 LYS 16 2HE LYS 16 1.635 8.574 -7.962
111 HZ1 LYS 16 3HZ LYS 16 1.542 10.910 -7.306
112 HZ2 LYS 16 1HZ LYS 16 2.666 10.689 -6.147
113 HZ3 LYS 16 2HZ LYS 16 1.196 9.956 -6.032
114 H LYS 17 H LYS 17 4.872 5.585 -1.809
115 HA LYS 17 HA LYS 17 7.103 3.775 -2.056
116 HB2 LYS 17 1HB LYS 17 4.849 4.059 -0.028
117 HB3 LYS 17 2HB LYS 17 6.184 2.912 0.166
118 HG2 LYS 17 1HG LYS 17 7.801 4.765 0.152
119 HG3 LYS 17 2HG LYS 17 6.483 5.914 -0.156
120 HD2 LYS 17 1HD LYS 17 5.425 5.207 2.022
121 HD3 LYS 17 2HD LYS 17 6.826 4.178 2.325
122 HE2 LYS 17 1HE LYS 17 6.998 6.294 3.546
123 HE3 LYS 17 2HE LYS 17 8.310 6.138 2.375
124 HZ1 LYS 17 3HZ LYS 17 7.210 7.679 0.938
125 HZ2 LYS 17 1HZ LYS 17 7.161 8.367 2.421
126 HZ3 LYS 17 2HZ LYS 17 5.820 7.654 1.779
127 H LYS 18 H LYS 18 7.098 1.520 -1.965
128 HA LYS 18 HA LYS 18 4.844 0.202 -3.452
129 HB2 LYS 18 1HB LYS 18 7.777 -0.569 -3.275
130 HB3 LYS 18 2HB LYS 18 6.524 -1.488 -4.122
131 HG2 LYS 18 1HG LYS 18 6.055 0.507 -5.560
132 HG3 LYS 18 2HG LYS 18 7.401 1.359 -4.802
133 HD2 LYS 18 1HD LYS 18 7.571 -1.240 -6.387
134 HD3 LYS 18 2HD LYS 18 8.012 0.351 -6.993
135 HE2 LYS 18 1HE LYS 18 9.386 -1.073 -4.664
136 HE3 LYS 18 2HE LYS 18 9.951 -1.091 -6.332
137 HZ1 LYS 18 3HZ LYS 18 9.703 1.359 -4.669
138 HZ2 LYS 18 1HZ LYS 18 10.204 1.328 -6.226
139 HZ3 LYS 18 2HZ LYS 18 11.096 0.612 -5.067
140 H TYR 19 H TYR 19 3.970 -1.723 -2.844
141 HA TYR 19 HA TYR 19 4.571 -2.712 -0.089
142 HB2 TYR 19 1HB TYR 19 1.897 -1.851 -1.238
143 HB3 TYR 19 2HB TYR 19 2.060 -2.818 0.227
144 HD1 TYR 19 1HD TYR 19 2.587 0.530 -1.245
145 HD2 TYR 19 2HD TYR 19 3.099 -1.921 2.269
146 HE1 TYR 19 1HE TYR 19 3.305 2.530 0.054
147 HE2 TYR 19 2HE TYR 19 3.810 0.075 3.562
148 HH TYR 19 HH TYR 19 4.358 2.300 3.465
149 H SER 20 H SER 20 3.955 -4.778 0.456
150 HA SER 20 HA SER 20 4.179 -6.737 -1.681
151 HB2 SER 20 1HB SER 20 4.265 -8.311 0.276
152 HB3 SER 20 2HB SER 20 5.476 -7.019 0.304
153 HG SER 20 HG SER 20 4.501 -7.234 2.334
154 H ASP 21 H ASP 21 1.511 -5.405 0.094
155 HA ASP 21 HA ASP 21 -0.409 -7.215 -1.205
156 HB2 ASP 21 1HB ASP 21 0.357 -8.266 1.020
157 HB3 ASP 21 2HB ASP 21 -0.411 -6.903 1.826
158 H VAL 22 H VAL 22 -2.549 -6.316 -1.258
159 HA VAL 22 HA VAL 22 -2.698 -3.445 -1.254
160 HB VAL 22 HB VAL 22 -4.019 -5.026 -2.677
161 HG11 VAL 22 1HG1 VAL 22 -6.131 -5.913 -1.931
162 HG12 VAL 22 2HG1 VAL 22 -4.844 -6.572 -0.909
163 HG13 VAL 22 3HG1 VAL 22 -5.895 -5.272 -0.297
164 HG21 VAL 22 3HG2 VAL 22 -5.618 -2.905 -1.194
165 HG22 VAL 22 1HG2 VAL 22 -4.506 -2.616 -2.546
166 HG23 VAL 22 2HG2 VAL 22 -5.977 -3.569 -2.802
167 H LYS 23 H LYS 23 -3.474 -5.865 1.190
168 HA LYS 23 HA LYS 23 -4.876 -4.071 3.010
169 HB2 LYS 23 1HB LYS 23 -3.405 -6.690 3.508
170 HB3 LYS 23 2HB LYS 23 -4.412 -5.849 4.694
171 HG2 LYS 23 1HG LYS 23 -6.375 -6.025 3.212
172 HG3 LYS 23 2HG LYS 23 -5.425 -6.870 1.995
173 HD2 LYS 23 1HD LYS 23 -6.021 -7.854 4.814
174 HD3 LYS 23 2HD LYS 23 -6.811 -8.406 3.342
175 HE2 LYS 23 1HE LYS 23 -3.871 -8.798 4.067
176 HE3 LYS 23 2HE LYS 23 -5.141 -10.022 4.129
177 HZ1 LYS 23 3HZ LYS 23 -4.092 -8.703 1.681
178 HZ2 LYS 23 1HZ LYS 23 -5.390 -9.725 1.682
179 HZ3 LYS 23 2HZ LYS 23 -3.897 -10.254 2.093
180 H ASN 24 H ASN 24 -1.447 -4.951 2.618
181 HA ASN 24 HA ASN 24 -0.516 -3.400 4.893
182 HB2 ASN 24 1HB ASN 24 0.917 -4.440 2.406
183 HB3 ASN 24 2HB ASN 24 1.719 -3.650 3.759
184 HD21 ASN 24 1HD2 ASN 24 2.426 -6.284 2.967
185 HD22 ASN 24 2HD2 ASN 24 1.926 -7.341 4.275
186 H LEU 25 H LEU 25 -0.921 -2.675 1.412
187 HA LEU 25 HA LEU 25 -0.050 0.042 1.506
188 HB2 LEU 25 1HB LEU 25 -0.292 -1.110 -0.580
189 HB3 LEU 25 2HB LEU 25 -1.980 -1.487 -0.267
190 HG LEU 25 HG LEU 25 -2.627 0.855 -0.493
191 HD11 LEU 25 1HD1 LEU 25 -1.028 2.527 -1.309
192 HD12 LEU 25 2HD1 LEU 25 0.311 1.373 -1.153
193 HD13 LEU 25 3HD1 LEU 25 -0.531 1.975 0.286
194 HD21 LEU 25 3HD2 LEU 25 -0.859 -0.067 -2.787
195 HD22 LEU 25 1HD2 LEU 25 -2.183 1.110 -2.882
196 HD23 LEU 25 2HD2 LEU 25 -2.538 -0.585 -2.497
197 H ILE 26 H ILE 26 -3.399 -1.301 1.964
198 HA ILE 26 HA ILE 26 -4.564 1.267 2.437
199 HB ILE 26 HB ILE 26 -5.474 -1.545 3.063
200 HG12 ILE 26 1HG1 ILE 26 -6.545 0.549 1.103
201 HG13 ILE 26 2HG1 ILE 26 -5.276 -0.578 0.659
202 HG21 ILE 26 1HG2 ILE 26 -7.004 1.066 3.504
203 HG22 ILE 26 2HG2 ILE 26 -7.734 -0.555 3.538
204 HG23 ILE 26 3HG2 ILE 26 -6.549 -0.111 4.756
205 HD11 ILE 26 3HD1 ILE 26 -6.783 -2.493 1.155
206 HD12 ILE 26 1HD1 ILE 26 -8.105 -1.338 1.462
207 HD13 ILE 26 2HD1 ILE 26 -7.363 -1.430 -0.143
208 H LYS 27 H LYS 27 -3.161 -1.093 4.740
209 HA LYS 27 HA LYS 27 -3.702 0.383 7.144
210 HB2 LYS 27 1HB LYS 27 -1.532 -1.602 6.358
211 HB3 LYS 27 2HB LYS 27 -1.620 -0.895 7.974
212 HG2 LYS 27 1HG LYS 27 -3.793 -1.837 8.393
213 HG3 LYS 27 2HG LYS 27 -3.959 -2.397 6.727
214 HD2 LYS 27 1HD LYS 27 -1.998 -3.908 7.045
215 HD3 LYS 27 2HD LYS 27 -1.867 -3.361 8.732
216 HE2 LYS 27 1HE LYS 27 -4.181 -4.189 9.158
217 HE3 LYS 27 2HE LYS 27 -4.285 -4.748 7.483
218 HZ1 LYS 27 3HZ LYS 27 -2.412 -6.254 7.952
219 HZ2 LYS 27 1HZ LYS 27 -3.648 -6.555 8.975
220 HZ3 LYS 27 2HZ LYS 27 -2.337 -5.741 9.501
221 H HIS 28 H HIS 28 -1.054 0.725 4.770
222 HA HIS 28 HA HIS 28 0.296 2.843 6.220
223 HB2 HIS 28 1HB HIS 28 1.568 1.730 4.576
224 HB3 HIS 28 2HB HIS 28 0.333 1.902 3.340
225 HD1 HIS 28 1HD HIS 28 2.650 4.292 5.347
226 HD2 HIS 28 2HD HIS 28 0.556 3.911 1.722
227 HE1 HIS 28 1HE HIS 28 3.253 6.341 3.988
228 H ILE 29 H ILE 29 -2.073 2.958 3.482
229 HA ILE 29 HA ILE 29 -2.238 5.754 3.298
230 HB ILE 29 HB ILE 29 -4.305 3.620 2.685
231 HG12 ILE 29 1HG1 ILE 29 -2.599 5.336 0.814
232 HG13 ILE 29 2HG1 ILE 29 -2.112 3.740 1.361
233 HG21 ILE 29 1HG2 ILE 29 -5.526 5.351 1.358
234 HG22 ILE 29 2HG2 ILE 29 -5.547 5.721 3.064
235 HG23 ILE 29 3HG2 ILE 29 -4.426 6.594 1.988
236 HD11 ILE 29 3HD1 ILE 29 -4.548 4.376 -0.350
237 HD12 ILE 29 1HD1 ILE 29 -3.090 3.508 -0.822
238 HD13 ILE 29 2HD1 ILE 29 -4.204 2.775 0.353
239 H ARG 30 H ARG 30 -4.360 3.653 5.317
240 HA ARG 30 HA ARG 30 -5.869 5.873 6.354
241 HB2 ARG 30 1HB ARG 30 -6.977 4.285 7.698
242 HB3 ARG 30 2HB ARG 30 -6.568 3.440 6.199
243 HG2 ARG 30 1HG ARG 30 -4.538 2.490 7.433
244 HG3 ARG 30 2HG ARG 30 -5.214 3.185 8.913
245 HD2 ARG 30 1HD ARG 30 -7.348 1.909 8.438
246 HD3 ARG 30 2HD ARG 30 -6.488 1.091 7.116
247 HE ARG 30 HE ARG 30 -4.970 0.875 9.542
248 HH11 ARG 30 2HH1 ARG 30 -7.923 -0.436 8.192
249 HH12 ARG 30 1HH1 ARG 30 -7.879 -1.843 9.217
250 HH21 ARG 30 2HH2 ARG 30 -4.987 -0.933 10.841
251 HH22 ARG 30 1HH2 ARG 30 -6.263 -2.103 10.684
252 H ASP 31 H ASP 31 -2.735 4.875 7.250
253 HA ASP 31 HA ASP 31 -2.883 6.225 9.899
254 HB2 ASP 31 1HB ASP 31 -1.807 4.005 9.706
255 HB3 ASP 31 2HB ASP 31 -0.639 4.665 8.566
256 H ALA 32 H ALA 32 -1.160 6.449 6.772
257 HA ALA 32 HA ALA 32 0.304 8.839 7.636
258 HB1 ALA 32 1HB ALA 32 1.586 8.431 5.587
259 HB2 ALA 32 2HB ALA 32 1.416 6.938 6.534
260 HB3 ALA 32 3HB ALA 32 0.421 7.191 5.081
261 H HIS 33 H HIS 33 -2.448 8.226 5.505
262 HA HIS 33 HA HIS 33 -2.317 11.057 4.503
263 HB2 HIS 33 1HB HIS 33 -3.060 8.604 2.879
264 HB3 HIS 33 2HB HIS 33 -2.903 10.257 2.298
265 HD1 HIS 33 1HD HIS 33 -0.117 11.191 2.875
266 HD2 HIS 33 2HD HIS 33 -1.048 7.146 2.242
267 HE1 HIS 33 1HE HIS 33 2.058 10.083 2.155
268 H ASP 34 H ASP 34 -4.460 8.266 5.036
269 HA ASP 34 HA ASP 34 -6.711 8.021 5.108
270 HB2 ASP 34 1HB ASP 34 -5.939 8.514 7.358
271 HB3 ASP 34 2HB ASP 34 -6.284 10.221 7.132
272 HA PRO 35 HA PRO 35 -7.707 11.617 2.328
273 HB2 PRO 35 1HB PRO 35 -8.238 10.327 -0.009
274 HB3 PRO 35 2HB PRO 35 -6.569 10.595 0.582
275 HG2 PRO 35 1HG PRO 35 -8.287 8.107 0.960
276 HG3 PRO 35 2HG PRO 35 -6.626 8.192 0.299
277 HD2 PRO 35 1HD PRO 35 -7.062 7.631 2.907
278 HD3 PRO 35 2HD PRO 35 -5.703 8.691 2.416
279 H GLN 36 H GLN 36 -9.632 12.435 1.503
280 HA GLN 36 HA GLN 36 -12.158 11.080 2.293
281 HB2 GLN 36 1HB GLN 36 -11.535 13.949 1.497
282 HB3 GLN 36 2HB GLN 36 -13.140 13.359 1.914
283 HG2 GLN 36 1HG GLN 36 -10.749 13.349 3.810
284 HG3 GLN 36 2HG GLN 36 -12.034 14.549 3.783
285 HE21 GLN 36 1HE2 GLN 36 -14.328 13.729 4.206
286 HE22 GLN 36 2HE2 GLN 36 -14.479 12.361 5.300
287 H ASP 37 H ASP 37 -10.338 10.909 -0.371
288 HA ASP 37 HA ASP 37 -12.602 10.733 -2.307
289 HB2 ASP 37 1HB ASP 37 -11.599 12.896 -2.689
290 HB3 ASP 37 2HB ASP 37 -9.975 12.218 -2.659
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 2.311 -20.905 5.728
2 H2 GLY 1 2H GLY 1 2.504 -19.952 4.408
3 H3 GLY 1 3H GLY 1 1.287 -19.654 5.461
4 HA2 GLY 1 1HA GLY 1 2.841 -19.085 7.206
5 HA3 GLY 1 2HA GLY 1 4.164 -19.420 6.073
6 H SER 2 H SER 2 4.030 -16.985 7.323
7 HA SER 2 HA SER 2 2.649 -14.986 5.725
8 HB2 SER 2 1HB SER 2 4.768 -14.622 7.870
9 HB3 SER 2 2HB SER 2 3.642 -13.392 7.273
10 HG SER 2 HG SER 2 1.921 -14.610 8.124
11 H SER 3 H SER 3 5.565 -16.583 5.122
12 HA SER 3 HA SER 3 7.118 -14.405 3.984
13 HB2 SER 3 1HB SER 3 8.566 -16.271 3.189
14 HB3 SER 3 2HB SER 3 8.248 -16.299 4.929
15 HG SER 3 HG SER 3 8.018 -18.376 3.949
16 H GLY 4 H GLY 4 7.919 -14.554 1.693
17 HA2 GLY 4 1HA GLY 4 7.610 -14.765 -0.617
18 HA3 GLY 4 2HA GLY 4 6.103 -15.628 -0.347
19 H SER 5 H SER 5 4.892 -14.487 -1.811
20 HA SER 5 HA SER 5 4.190 -11.651 -1.252
21 HB2 SER 5 1HB SER 5 6.059 -11.577 -2.854
22 HB3 SER 5 2HB SER 5 5.227 -12.732 -3.903
23 HG SER 5 HG SER 5 4.423 -10.073 -3.257
24 H SER 6 H SER 6 2.196 -10.992 -2.136
25 HA SER 6 HA SER 6 0.215 -13.042 -2.801
26 HB2 SER 6 1HB SER 6 0.021 -10.007 -2.777
27 HB3 SER 6 2HB SER 6 -1.336 -11.134 -2.970
28 HG SER 6 HG SER 6 -1.118 -10.441 -0.823
29 H GLY 7 H GLY 7 2.635 -11.847 -4.656
30 HA2 GLY 7 1HA GLY 7 3.031 -12.268 -6.914
31 HA3 GLY 7 2HA GLY 7 1.318 -12.600 -7.171
32 H ILE 8 H ILE 8 -0.042 -10.444 -6.595
33 HA ILE 8 HA ILE 8 0.833 -8.390 -8.517
34 HB ILE 8 HB ILE 8 -1.695 -8.520 -6.838
35 HG12 ILE 8 1HG1 ILE 8 -1.693 -10.472 -8.254
36 HG13 ILE 8 2HG1 ILE 8 -2.850 -9.304 -8.855
37 HG21 ILE 8 1HG2 ILE 8 -0.952 -6.812 -9.257
38 HG22 ILE 8 2HG2 ILE 8 -2.581 -6.935 -8.558
39 HG23 ILE 8 3HG2 ILE 8 -1.264 -6.251 -7.604
40 HD11 ILE 8 3HD1 ILE 8 -1.266 -8.650 -10.668
41 HD12 ILE 8 1HD1 ILE 8 -0.096 -9.848 -10.058
42 HD13 ILE 8 2HD1 ILE 8 -1.659 -10.376 -10.699
43 H LYS 9 H LYS 9 2.189 -6.874 -7.917
44 HA LYS 9 HA LYS 9 2.464 -5.918 -5.132
45 HB2 LYS 9 1HB LYS 9 3.915 -5.326 -7.736
46 HB3 LYS 9 2HB LYS 9 4.138 -4.322 -6.311
47 HG2 LYS 9 1HG LYS 9 5.911 -5.963 -6.501
48 HG3 LYS 9 2HG LYS 9 4.996 -6.171 -5.006
49 HD2 LYS 9 1HD LYS 9 3.891 -8.139 -5.848
50 HD3 LYS 9 2HD LYS 9 4.497 -7.849 -7.498
51 HE2 LYS 9 1HE LYS 9 6.785 -8.262 -6.786
52 HE3 LYS 9 2HE LYS 9 6.284 -8.411 -5.094
53 HZ1 LYS 9 3HZ LYS 9 6.561 -10.577 -6.273
54 HZ2 LYS 9 1HZ LYS 9 5.288 -10.208 -7.238
55 HZ3 LYS 9 2HZ LYS 9 5.077 -10.388 -5.616
56 H GLN 10 H GLN 10 2.288 -3.736 -4.525
57 HA GLN 10 HA GLN 10 0.280 -2.105 -6.035
58 HB2 GLN 10 1HB GLN 10 0.314 -2.802 -3.066
59 HB3 GLN 10 2HB GLN 10 -0.765 -1.628 -3.806
60 HG2 GLN 10 1HG GLN 10 -0.715 -4.606 -4.462
61 HG3 GLN 10 2HG GLN 10 -1.849 -3.809 -3.393
62 HE21 GLN 10 1HE2 GLN 10 -2.890 -5.279 -5.468
63 HE22 GLN 10 2HE2 GLN 10 -3.576 -4.172 -6.648
64 H HIS 11 H HIS 11 0.230 0.199 -5.373
65 HA HIS 11 HA HIS 11 2.544 1.124 -3.834
66 HB2 HIS 11 1HB HIS 11 3.346 2.699 -5.444
67 HB3 HIS 11 2HB HIS 11 3.374 1.095 -6.159
68 HD1 HIS 11 1HD HIS 11 1.358 4.397 -6.375
69 HD2 HIS 11 2HD HIS 11 1.945 0.738 -8.384
70 HE1 HIS 11 1HE HIS 11 0.199 4.624 -8.638
71 H CYS 12 H CYS 12 2.420 3.174 -2.969
72 HA CYS 12 HA CYS 12 -0.174 4.230 -2.320
73 HB2 CYS 12 1HB CYS 12 1.714 4.274 -0.832
74 HB3 CYS 12 2HB CYS 12 2.642 5.277 -1.957
75 H ARG 13 H ARG 13 -0.959 6.264 -2.740
76 HA ARG 13 HA ARG 13 -0.637 7.247 -5.555
77 HB2 ARG 13 1HB ARG 13 -2.876 6.555 -4.811
78 HB3 ARG 13 2HB ARG 13 -2.798 7.663 -3.439
79 HG2 ARG 13 1HG ARG 13 -2.785 9.602 -4.964
80 HG3 ARG 13 2HG ARG 13 -2.774 8.511 -6.369
81 HD2 ARG 13 1HD ARG 13 -4.950 7.577 -5.657
82 HD3 ARG 13 2HD ARG 13 -4.944 8.635 -4.231
83 HE ARG 13 HE ARG 13 -4.651 10.264 -6.543
84 HH11 ARG 13 2HH1 ARG 13 -7.153 8.295 -5.079
85 HH12 ARG 13 1HH1 ARG 13 -8.437 9.247 -5.772
86 HH21 ARG 13 2HH2 ARG 13 -6.339 11.435 -7.398
87 HH22 ARG 13 1HH2 ARG 13 -7.980 10.977 -7.050
88 H PHE 14 H PHE 14 -0.377 8.250 -2.200
89 HA PHE 14 HA PHE 14 -0.071 11.094 -2.921
90 HB2 PHE 14 1HB PHE 14 -0.241 9.781 -0.204
91 HB3 PHE 14 2HB PHE 14 -0.493 11.476 -0.577
92 HD1 PHE 14 2HD PHE 14 -2.500 12.030 -2.209
93 HD2 PHE 14 1HD PHE 14 -2.057 8.268 -0.146
94 HE1 PHE 14 2HE PHE 14 -4.920 11.561 -2.532
95 HE2 PHE 14 1HE PHE 14 -4.474 7.809 -0.459
96 HZ PHE 14 HZ PHE 14 -5.910 9.453 -1.651
97 H CYS 15 H CYS 15 1.915 8.508 -1.567
98 HA CYS 15 HA CYS 15 4.281 10.294 -1.811
99 HB2 CYS 15 1HB CYS 15 5.299 9.500 0.140
100 HB3 CYS 15 2HB CYS 15 3.698 10.098 0.548
101 H LYS 16 H LYS 16 2.861 7.602 -2.998
102 HA LYS 16 HA LYS 16 3.451 5.961 -4.430
103 HB2 LYS 16 1HB LYS 16 5.489 8.063 -5.178
104 HB3 LYS 16 2HB LYS 16 5.073 6.662 -6.179
105 HG2 LYS 16 1HG LYS 16 2.725 7.351 -6.285
106 HG3 LYS 16 2HG LYS 16 3.049 8.743 -5.236
107 HD2 LYS 16 1HD LYS 16 4.522 9.735 -6.925
108 HD3 LYS 16 2HD LYS 16 4.364 8.298 -7.942
109 HE2 LYS 16 1HE LYS 16 2.946 10.026 -8.833
110 HE3 LYS 16 2HE LYS 16 1.945 8.711 -8.220
111 HZ1 LYS 16 3HZ LYS 16 2.478 11.225 -6.718
112 HZ2 LYS 16 1HZ LYS 16 1.413 10.050 -6.280
113 HZ3 LYS 16 2HZ LYS 16 1.136 10.954 -7.601
114 H LYS 17 H LYS 17 4.660 5.605 -1.835
115 HA LYS 17 HA LYS 17 6.994 3.906 -2.112
116 HB2 LYS 17 1HB LYS 17 4.737 4.141 -0.076
117 HB3 LYS 17 2HB LYS 17 6.064 2.991 0.106
118 HG2 LYS 17 1HG LYS 17 7.690 4.844 0.125
119 HG3 LYS 17 2HG LYS 17 6.375 5.998 -0.185
120 HD2 LYS 17 1HD LYS 17 5.302 5.285 1.981
121 HD3 LYS 17 2HD LYS 17 6.696 4.249 2.290
122 HE2 LYS 17 1HE LYS 17 6.863 6.357 3.525
123 HE3 LYS 17 2HE LYS 17 8.188 6.198 2.368
124 HZ1 LYS 17 3HZ LYS 17 5.717 7.730 1.738
125 HZ2 LYS 17 1HZ LYS 17 7.127 7.760 0.933
126 HZ3 LYS 17 2HZ LYS 17 7.043 8.434 2.419
127 H LYS 18 H LYS 18 7.018 1.618 -2.004
128 HA LYS 18 HA LYS 18 4.776 0.304 -3.502
129 HB2 LYS 18 1HB LYS 18 7.723 -0.407 -3.352
130 HB3 LYS 18 2HB LYS 18 6.483 -1.388 -4.147
131 HG2 LYS 18 1HG LYS 18 5.940 0.479 -5.678
132 HG3 LYS 18 2HG LYS 18 7.132 1.505 -4.875
133 HD2 LYS 18 1HD LYS 18 8.087 0.689 -6.916
134 HD3 LYS 18 2HD LYS 18 8.945 -0.048 -5.557
135 HE2 LYS 18 1HE LYS 18 7.622 -2.133 -5.850
136 HE3 LYS 18 2HE LYS 18 6.720 -1.381 -7.173
137 HZ1 LYS 18 3HZ LYS 18 9.650 -1.896 -7.186
138 HZ2 LYS 18 1HZ LYS 18 8.815 -1.205 -8.410
139 HZ3 LYS 18 2HZ LYS 18 8.538 -2.761 -8.009
140 H TYR 19 H TYR 19 3.867 -1.558 -2.926
141 HA TYR 19 HA TYR 19 4.441 -2.713 -0.241
142 HB2 TYR 19 1HB TYR 19 1.768 -1.713 -1.293
143 HB3 TYR 19 2HB TYR 19 1.952 -2.722 0.140
144 HD1 TYR 19 2HD TYR 19 3.220 -1.911 2.128
145 HD2 TYR 19 1HD TYR 19 2.367 0.668 -1.227
146 HE1 TYR 19 2HE TYR 19 4.002 0.045 3.438
147 HE2 TYR 19 1HE TYR 19 3.172 2.628 0.089
148 HH TYR 19 HH TYR 19 4.502 2.275 3.394
149 H SER 20 H SER 20 3.829 -4.809 0.135
150 HA SER 20 HA SER 20 3.971 -6.584 -2.150
151 HB2 SER 20 1HB SER 20 4.023 -8.319 -0.335
152 HB3 SER 20 2HB SER 20 5.247 -7.049 -0.172
153 HG SER 20 HG SER 20 4.212 -7.449 1.814
154 H ASP 21 H ASP 21 1.316 -5.322 -0.326
155 HA ASP 21 HA ASP 21 -0.634 -7.013 -1.720
156 HB2 ASP 21 1HB ASP 21 0.109 -8.302 0.351
157 HB3 ASP 21 2HB ASP 21 -0.525 -6.979 1.330
158 H VAL 22 H VAL 22 -2.815 -6.169 -1.550
159 HA VAL 22 HA VAL 22 -2.969 -3.308 -1.423
160 HB VAL 22 HB VAL 22 -4.347 -4.862 -2.831
161 HG11 VAL 22 1HG1 VAL 22 -5.114 -6.432 -1.056
162 HG12 VAL 22 2HG1 VAL 22 -6.132 -5.136 -0.384
163 HG13 VAL 22 3HG1 VAL 22 -6.433 -5.749 -2.017
164 HG21 VAL 22 3HG2 VAL 22 -6.302 -3.393 -2.848
165 HG22 VAL 22 1HG2 VAL 22 -5.867 -2.753 -1.250
166 HG23 VAL 22 2HG2 VAL 22 -4.815 -2.453 -2.647
167 H LYS 23 H LYS 23 -3.663 -5.789 1.008
168 HA LYS 23 HA LYS 23 -4.932 -3.946 2.892
169 HB2 LYS 23 1HB LYS 23 -3.531 -6.608 3.387
170 HB3 LYS 23 2HB LYS 23 -4.515 -5.745 4.556
171 HG2 LYS 23 1HG LYS 23 -5.482 -6.952 1.925
172 HG3 LYS 23 2HG LYS 23 -5.756 -7.595 3.535
173 HD2 LYS 23 1HD LYS 23 -6.897 -4.990 2.429
174 HD3 LYS 23 2HD LYS 23 -7.754 -6.516 2.648
175 HE2 LYS 23 1HE LYS 23 -7.295 -6.397 5.112
176 HE3 LYS 23 2HE LYS 23 -6.551 -4.811 4.876
177 HZ1 LYS 23 3HZ LYS 23 -9.379 -5.485 4.252
178 HZ2 LYS 23 1HZ LYS 23 -8.702 -4.016 4.019
179 HZ3 LYS 23 2HZ LYS 23 -8.880 -4.607 5.530
180 H ASN 24 H ASN 24 -1.551 -4.844 2.280
181 HA ASN 24 HA ASN 24 -0.514 -3.315 4.541
182 HB2 ASN 24 1HB ASN 24 0.778 -4.457 2.032
183 HB3 ASN 24 2HB ASN 24 1.665 -3.503 3.216
184 HD21 ASN 24 1HD2 ASN 24 2.217 -6.304 2.538
185 HD22 ASN 24 2HD2 ASN 24 1.965 -7.167 4.043
186 H LEU 25 H LEU 25 -1.124 -2.551 1.093
187 HA LEU 25 HA LEU 25 -0.252 0.170 1.230
188 HB2 LEU 25 1HB LEU 25 -0.600 -0.880 -0.894
189 HB3 LEU 25 2HB LEU 25 -2.271 -1.280 -0.509
190 HG LEU 25 HG LEU 25 -2.924 1.074 -0.559
191 HD11 LEU 25 1HD1 LEU 25 -0.792 2.157 0.152
192 HD12 LEU 25 2HD1 LEU 25 -1.357 2.786 -1.390
193 HD13 LEU 25 3HD1 LEU 25 -0.019 1.616 -1.349
194 HD21 LEU 25 3HD2 LEU 25 -2.929 -0.269 -2.658
195 HD22 LEU 25 1HD2 LEU 25 -1.310 0.379 -3.028
196 HD23 LEU 25 2HD2 LEU 25 -2.698 1.468 -2.928
197 H ILE 26 H ILE 26 -3.577 -1.187 1.790
198 HA ILE 26 HA ILE 26 -4.727 1.355 2.407
199 HB ILE 26 HB ILE 26 -5.580 -1.484 2.997
200 HG12 ILE 26 1HG1 ILE 26 -6.749 0.641 1.131
201 HG13 ILE 26 2HG1 ILE 26 -5.493 -0.471 0.612
202 HG21 ILE 26 1HG2 ILE 26 -7.827 -0.538 3.596
203 HG22 ILE 26 2HG2 ILE 26 -6.595 -0.109 4.772
204 HG23 ILE 26 3HG2 ILE 26 -7.123 1.093 3.573
205 HD11 ILE 26 3HD1 ILE 26 -6.965 -2.403 1.131
206 HD12 ILE 26 1HD1 ILE 26 -8.282 -1.263 1.514
207 HD13 ILE 26 2HD1 ILE 26 -7.604 -1.318 -0.121
208 H LYS 27 H LYS 27 -3.235 -1.079 4.547
209 HA LYS 27 HA LYS 27 -3.626 0.257 7.044
210 HB2 LYS 27 1HB LYS 27 -2.986 -2.082 6.805
211 HB3 LYS 27 2HB LYS 27 -1.477 -1.620 6.007
212 HG2 LYS 27 1HG LYS 27 -0.590 -0.695 8.072
213 HG3 LYS 27 2HG LYS 27 -2.149 -0.903 8.888
214 HD2 LYS 27 1HD LYS 27 -0.496 -2.660 9.508
215 HD3 LYS 27 2HD LYS 27 -1.963 -3.324 8.774
216 HE2 LYS 27 1HE LYS 27 -0.794 -3.513 6.593
217 HE3 LYS 27 2HE LYS 27 0.683 -2.858 7.314
218 HZ1 LYS 27 3HZ LYS 27 0.820 -4.823 8.699
219 HZ2 LYS 27 1HZ LYS 27 0.613 -5.308 7.141
220 HZ3 LYS 27 2HZ LYS 27 -0.635 -5.376 8.187
221 H HIS 28 H HIS 28 -1.096 0.707 4.553
222 HA HIS 28 HA HIS 28 0.345 2.742 6.034
223 HB2 HIS 28 1HB HIS 28 1.526 1.682 4.291
224 HB3 HIS 28 2HB HIS 28 0.239 1.916 3.122
225 HD1 HIS 28 1HD HIS 28 2.633 4.227 5.132
226 HD2 HIS 28 2HD HIS 28 0.463 3.948 1.542
227 HE1 HIS 28 1HE HIS 28 3.221 6.306 3.811
228 H ILE 29 H ILE 29 -2.157 2.998 3.423
229 HA ILE 29 HA ILE 29 -2.298 5.805 3.363
230 HB ILE 29 HB ILE 29 -4.417 3.715 2.775
231 HG12 ILE 29 1HG1 ILE 29 -2.819 5.495 0.873
232 HG13 ILE 29 2HG1 ILE 29 -2.286 3.890 1.345
233 HG21 ILE 29 1HG2 ILE 29 -5.688 5.511 1.585
234 HG22 ILE 29 2HG2 ILE 29 -5.621 5.806 3.304
235 HG23 ILE 29 3HG2 ILE 29 -4.551 6.719 2.214
236 HD11 ILE 29 3HD1 ILE 29 -4.392 2.915 0.415
237 HD12 ILE 29 1HD1 ILE 29 -4.839 4.530 -0.187
238 HD13 ILE 29 2HD1 ILE 29 -3.389 3.739 -0.796
239 H ARG 30 H ARG 30 -4.331 3.633 5.399
240 HA ARG 30 HA ARG 30 -5.752 5.808 6.627
241 HB2 ARG 30 1HB ARG 30 -6.775 4.163 7.983
242 HB3 ARG 30 2HB ARG 30 -6.501 3.410 6.405
243 HG2 ARG 30 1HG ARG 30 -4.393 2.376 7.397
244 HG3 ARG 30 2HG ARG 30 -4.933 2.943 8.973
245 HD2 ARG 30 1HD ARG 30 -6.451 1.058 7.124
246 HD3 ARG 30 2HD ARG 30 -5.557 0.572 8.557
247 HE ARG 30 HE ARG 30 -8.212 1.801 8.436
248 HH11 ARG 30 2HH1 ARG 30 -5.534 1.191 10.623
249 HH12 ARG 30 1HH1 ARG 30 -6.536 1.382 12.034
250 HH21 ARG 30 2HH2 ARG 30 -9.415 2.035 10.277
251 HH22 ARG 30 1HH2 ARG 30 -8.672 1.844 11.837
252 H ASP 31 H ASP 31 -2.570 4.822 7.258
253 HA ASP 31 HA ASP 31 -2.557 6.054 9.972
254 HB2 ASP 31 1HB ASP 31 -1.516 3.832 9.650
255 HB3 ASP 31 2HB ASP 31 -0.408 4.519 8.467
256 H ALA 32 H ALA 32 -1.011 6.361 6.760
257 HA ALA 32 HA ALA 32 0.520 8.711 7.620
258 HB1 ALA 32 1HB ALA 32 1.555 6.826 6.418
259 HB2 ALA 32 2HB ALA 32 0.497 7.131 5.021
260 HB3 ALA 32 3HB ALA 32 1.703 8.341 5.506
261 H HIS 33 H HIS 33 -2.330 8.183 5.601
262 HA HIS 33 HA HIS 33 -2.201 11.034 4.648
263 HB2 HIS 33 1HB HIS 33 -3.076 8.615 3.036
264 HB3 HIS 33 2HB HIS 33 -2.946 10.277 2.471
265 HD1 HIS 33 1HD HIS 33 -0.111 11.173 2.985
266 HD2 HIS 33 2HD HIS 33 -1.127 7.179 2.175
267 HE1 HIS 33 1HE HIS 33 2.016 10.079 2.120
268 H ASP 34 H ASP 34 -4.339 8.283 5.286
269 HA ASP 34 HA ASP 34 -6.571 8.050 5.543
270 HB2 ASP 34 1HB ASP 34 -5.631 8.391 7.717
271 HB3 ASP 34 2HB ASP 34 -5.890 10.128 7.610
272 HA PRO 35 HA PRO 35 -8.326 11.517 3.049
273 HB2 PRO 35 1HB PRO 35 -9.666 10.012 1.195
274 HB3 PRO 35 2HB PRO 35 -7.913 10.359 1.098
275 HG2 PRO 35 1HG PRO 35 -9.258 7.884 2.235
276 HG3 PRO 35 2HG PRO 35 -7.920 7.965 1.041
277 HD2 PRO 35 1HD PRO 35 -7.452 7.577 3.681
278 HD3 PRO 35 2HD PRO 35 -6.356 8.599 2.701
279 H GLN 36 H GLN 36 -9.637 9.110 5.075
280 HA GLN 36 HA GLN 36 -11.569 8.778 6.142
281 HB2 GLN 36 1HB GLN 36 -10.667 11.085 6.834
282 HB3 GLN 36 2HB GLN 36 -12.043 11.757 5.953
283 HG2 GLN 36 1HG GLN 36 -13.574 10.402 7.431
284 HG3 GLN 36 2HG GLN 36 -12.162 9.756 8.264
285 HE21 GLN 36 1HE2 GLN 36 -13.738 10.797 10.033
286 HE22 GLN 36 2HE2 GLN 36 -13.295 12.441 10.473
287 H ASP 37 H ASP 37 -11.906 8.169 3.489
288 HA ASP 37 HA ASP 37 -14.831 8.476 3.105
289 HB2 ASP 37 1HB ASP 37 -13.795 10.251 1.750
290 HB3 ASP 37 2HB ASP 37 -12.752 9.070 0.965
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 -2.850 -14.981 -18.194
2 H2 GLY 1 2H GLY 1 -3.636 -16.175 -18.995
3 H3 GLY 1 3H GLY 1 -2.000 -16.097 -19.036
4 HA2 GLY 1 1HA GLY 1 -3.621 -16.640 -16.634
5 HA3 GLY 1 2HA GLY 1 -2.718 -17.858 -17.552
6 H SER 2 H SER 2 -2.324 -17.410 -14.797
7 HA SER 2 HA SER 2 0.003 -15.695 -14.371
8 HB2 SER 2 1HB SER 2 -0.215 -16.413 -12.047
9 HB3 SER 2 2HB SER 2 -1.793 -15.935 -12.700
10 HG SER 2 HG SER 2 -1.959 -17.911 -11.578
11 H SER 3 H SER 3 -0.308 -18.917 -15.426
12 HA SER 3 HA SER 3 0.900 -20.792 -15.424
13 HB2 SER 3 1HB SER 3 3.216 -20.720 -15.976
14 HB3 SER 3 2HB SER 3 2.359 -19.422 -16.807
15 HG SER 3 HG SER 3 3.089 -18.143 -14.823
16 H GLY 4 H GLY 4 0.214 -19.609 -12.728
17 HA2 GLY 4 1HA GLY 4 0.225 -20.486 -10.603
18 HA3 GLY 4 2HA GLY 4 1.418 -21.688 -11.089
19 H SER 5 H SER 5 2.620 -18.594 -11.867
20 HA SER 5 HA SER 5 3.908 -18.193 -9.197
21 HB2 SER 5 1HB SER 5 6.119 -18.107 -10.206
22 HB3 SER 5 2HB SER 5 5.360 -19.684 -10.483
23 HG SER 5 HG SER 5 6.340 -18.865 -12.388
24 H SER 6 H SER 6 2.803 -16.687 -12.177
25 HA SER 6 HA SER 6 4.094 -14.127 -11.630
26 HB2 SER 6 1HB SER 6 3.528 -15.013 -13.917
27 HB3 SER 6 2HB SER 6 1.822 -14.685 -13.550
28 HG SER 6 HG SER 6 2.902 -12.940 -14.649
29 H GLY 7 H GLY 7 2.919 -12.117 -11.311
30 HA2 GLY 7 1HA GLY 7 0.275 -11.922 -10.248
31 HA3 GLY 7 2HA GLY 7 1.419 -12.079 -8.914
32 H ILE 8 H ILE 8 0.411 -9.920 -8.468
33 HA ILE 8 HA ILE 8 1.934 -7.693 -9.747
34 HB ILE 8 HB ILE 8 -0.028 -6.237 -9.507
35 HG12 ILE 8 1HG1 ILE 8 -1.644 -8.763 -8.932
36 HG13 ILE 8 2HG1 ILE 8 -1.233 -7.531 -7.737
37 HG21 ILE 8 1HG2 ILE 8 0.561 -7.379 -11.652
38 HG22 ILE 8 2HG2 ILE 8 -0.646 -8.630 -11.278
39 HG23 ILE 8 3HG2 ILE 8 -1.142 -6.940 -11.515
40 HD11 ILE 8 3HD1 ILE 8 -2.474 -5.831 -9.094
41 HD12 ILE 8 1HD1 ILE 8 -3.009 -7.143 -10.174
42 HD13 ILE 8 2HD1 ILE 8 -3.485 -7.149 -8.470
43 H LYS 9 H LYS 9 2.176 -5.803 -8.510
44 HA LYS 9 HA LYS 9 1.723 -5.944 -5.570
45 HB2 LYS 9 1HB LYS 9 4.318 -5.056 -6.915
46 HB3 LYS 9 2HB LYS 9 3.890 -4.733 -5.231
47 HG2 LYS 9 1HG LYS 9 3.586 -7.264 -4.943
48 HG3 LYS 9 2HG LYS 9 4.381 -7.444 -6.517
49 HD2 LYS 9 1HD LYS 9 6.382 -6.257 -5.641
50 HD3 LYS 9 2HD LYS 9 5.554 -6.006 -4.091
51 HE2 LYS 9 1HE LYS 9 5.283 -8.568 -3.991
52 HE3 LYS 9 2HE LYS 9 6.433 -8.644 -5.334
53 HZ1 LYS 9 3HZ LYS 9 7.580 -8.842 -3.215
54 HZ2 LYS 9 1HZ LYS 9 6.922 -7.458 -2.652
55 HZ3 LYS 9 2HZ LYS 9 8.017 -7.414 -3.880
56 H GLN 10 H GLN 10 1.876 -3.746 -4.582
57 HA GLN 10 HA GLN 10 0.433 -1.782 -6.332
58 HB2 GLN 10 1HB GLN 10 0.027 -2.603 -3.430
59 HB3 GLN 10 2HB GLN 10 -0.678 -1.152 -4.125
60 HG2 GLN 10 1HG GLN 10 -1.189 -3.962 -5.177
61 HG3 GLN 10 2HG GLN 10 -2.249 -3.088 -4.078
62 HE21 GLN 10 1HE2 GLN 10 -2.301 -3.980 -7.170
63 HE22 GLN 10 2HE2 GLN 10 -3.001 -2.541 -7.889
64 H HIS 11 H HIS 11 0.565 0.460 -5.720
65 HA HIS 11 HA HIS 11 2.805 1.197 -3.949
66 HB2 HIS 11 1HB HIS 11 3.659 2.879 -5.390
67 HB3 HIS 11 2HB HIS 11 3.634 1.370 -6.291
68 HD1 HIS 11 1HD HIS 11 1.693 4.735 -6.098
69 HD2 HIS 11 2HD HIS 11 2.183 1.324 -8.530
70 HE1 HIS 11 1HE HIS 11 0.516 5.245 -8.297
71 H CYS 12 H CYS 12 2.606 3.170 -2.882
72 HA CYS 12 HA CYS 12 -0.013 4.046 -2.201
73 HB2 CYS 12 1HB CYS 12 1.878 4.185 -0.703
74 HB3 CYS 12 2HB CYS 12 2.693 5.339 -1.772
75 H ARG 13 H ARG 13 -1.211 5.640 -2.731
76 HA ARG 13 HA ARG 13 -1.034 6.728 -5.461
77 HB2 ARG 13 1HB ARG 13 -3.116 7.359 -3.340
78 HB3 ARG 13 2HB ARG 13 -3.289 7.425 -5.087
79 HG2 ARG 13 1HG ARG 13 -3.110 4.919 -3.349
80 HG3 ARG 13 2HG ARG 13 -4.506 5.578 -4.170
81 HD2 ARG 13 1HD ARG 13 -3.240 5.208 -6.376
82 HD3 ARG 13 2HD ARG 13 -2.038 4.317 -5.439
83 HE ARG 13 HE ARG 13 -4.952 3.583 -5.600
84 HH11 ARG 13 2HH1 ARG 13 -1.624 2.339 -5.416
85 HH12 ARG 13 1HH1 ARG 13 -2.211 0.730 -5.812
86 HH21 ARG 13 2HH2 ARG 13 -5.474 1.436 -5.968
87 HH22 ARG 13 1HH2 ARG 13 -4.179 0.259 -6.034
88 H PHE 14 H PHE 14 -0.423 7.768 -2.262
89 HA PHE 14 HA PHE 14 -0.376 10.662 -2.959
90 HB2 PHE 14 1HB PHE 14 -0.346 9.303 -0.263
91 HB3 PHE 14 2HB PHE 14 -0.609 11.010 -0.570
92 HD1 PHE 14 2HD PHE 14 -2.724 11.688 -1.906
93 HD2 PHE 14 1HD PHE 14 -2.150 7.752 -0.236
94 HE1 PHE 14 2HE PHE 14 -5.163 11.249 -2.093
95 HE2 PHE 14 1HE PHE 14 -4.589 7.319 -0.418
96 HZ PHE 14 HZ PHE 14 -6.095 9.064 -1.360
97 H CYS 15 H CYS 15 1.844 8.152 -1.727
98 HA CYS 15 HA CYS 15 4.067 10.104 -2.033
99 HB2 CYS 15 1HB CYS 15 5.150 9.454 -0.050
100 HB3 CYS 15 2HB CYS 15 3.530 10.036 0.318
101 H LYS 16 H LYS 16 2.959 7.378 -3.292
102 HA LYS 16 HA LYS 16 3.753 5.744 -4.630
103 HB2 LYS 16 1HB LYS 16 6.060 7.662 -5.019
104 HB3 LYS 16 2HB LYS 16 5.627 6.323 -6.088
105 HG2 LYS 16 1HG LYS 16 3.391 7.345 -6.477
106 HG3 LYS 16 2HG LYS 16 3.864 8.734 -5.478
107 HD2 LYS 16 1HD LYS 16 5.746 9.211 -7.023
108 HD3 LYS 16 2HD LYS 16 5.261 7.832 -8.035
109 HE2 LYS 16 1HE LYS 16 3.042 8.887 -8.405
110 HE3 LYS 16 2HE LYS 16 3.520 10.257 -7.396
111 HZ1 LYS 16 3HZ LYS 16 3.833 10.745 -9.753
112 HZ2 LYS 16 1HZ LYS 16 4.843 9.478 -9.942
113 HZ3 LYS 16 2HZ LYS 16 5.284 10.745 -9.008
114 H LYS 17 H LYS 17 4.817 5.594 -1.730
115 HA LYS 17 HA LYS 17 7.051 3.779 -1.789
116 HB2 LYS 17 1HB LYS 17 4.698 4.132 0.116
117 HB3 LYS 17 2HB LYS 17 6.005 2.975 0.406
118 HG2 LYS 17 1HG LYS 17 7.650 4.820 0.361
119 HG3 LYS 17 2HG LYS 17 6.333 5.968 0.056
120 HD2 LYS 17 1HD LYS 17 5.266 5.169 2.223
121 HD3 LYS 17 2HD LYS 17 6.745 4.263 2.554
122 HE2 LYS 17 1HE LYS 17 6.544 7.283 2.106
123 HE3 LYS 17 2HE LYS 17 6.611 6.503 3.690
124 HZ1 LYS 17 3HZ LYS 17 8.773 6.400 1.655
125 HZ2 LYS 17 1HZ LYS 17 8.819 5.641 3.103
126 HZ3 LYS 17 2HZ LYS 17 8.801 7.269 3.032
127 H LYS 18 H LYS 18 7.075 1.541 -1.712
128 HA LYS 18 HA LYS 18 4.907 0.264 -3.350
129 HB2 LYS 18 1HB LYS 18 7.838 -0.466 -3.066
130 HB3 LYS 18 2HB LYS 18 6.639 -1.405 -3.971
131 HG2 LYS 18 1HG LYS 18 6.181 0.549 -5.432
132 HG3 LYS 18 2HG LYS 18 7.349 1.514 -4.525
133 HD2 LYS 18 1HD LYS 18 8.389 0.790 -6.556
134 HD3 LYS 18 2HD LYS 18 9.168 -0.041 -5.203
135 HE2 LYS 18 1HE LYS 18 7.824 -2.077 -5.678
136 HE3 LYS 18 2HE LYS 18 6.994 -1.231 -6.991
137 HZ1 LYS 18 3HZ LYS 18 9.143 -1.028 -8.126
138 HZ2 LYS 18 1HZ LYS 18 8.820 -2.599 -7.830
139 HZ3 LYS 18 2HZ LYS 18 9.911 -1.805 -6.911
140 H TYR 19 H TYR 19 3.846 -1.515 -2.842
141 HA TYR 19 HA TYR 19 4.376 -2.888 -0.247
142 HB2 TYR 19 1HB TYR 19 1.736 -1.717 -1.196
143 HB3 TYR 19 2HB TYR 19 1.919 -2.777 0.197
144 HD1 TYR 19 2HD TYR 19 3.279 -2.059 2.181
145 HD2 TYR 19 1HD TYR 19 2.354 0.644 -1.056
146 HE1 TYR 19 2HE TYR 19 4.082 -0.144 3.551
147 HE2 TYR 19 1HE TYR 19 3.170 2.556 0.323
148 HH TYR 19 HH TYR 19 4.537 2.090 3.597
149 H SER 20 H SER 20 4.222 -5.032 -0.288
150 HA SER 20 HA SER 20 3.729 -6.461 -2.732
151 HB2 SER 20 1HB SER 20 4.069 -7.465 0.113
152 HB3 SER 20 2HB SER 20 4.147 -8.466 -1.349
153 HG SER 20 HG SER 20 6.197 -7.577 -0.380
154 H ASP 21 H ASP 21 1.521 -5.435 -0.305
155 HA ASP 21 HA ASP 21 -0.650 -7.112 -1.449
156 HB2 ASP 21 1HB ASP 21 0.010 -6.831 1.513
157 HB3 ASP 21 2HB ASP 21 -1.537 -7.401 0.903
158 H VAL 22 H VAL 22 -2.597 -6.085 -1.607
159 HA VAL 22 HA VAL 22 -2.706 -3.240 -1.440
160 HB VAL 22 HB VAL 22 -4.018 -4.718 -2.963
161 HG11 VAL 22 1HG1 VAL 22 -5.953 -5.062 -0.637
162 HG12 VAL 22 2HG1 VAL 22 -6.166 -5.610 -2.307
163 HG13 VAL 22 3HG1 VAL 22 -4.911 -6.344 -1.302
164 HG21 VAL 22 3HG2 VAL 22 -5.956 -3.249 -3.084
165 HG22 VAL 22 1HG2 VAL 22 -5.659 -2.666 -1.435
166 HG23 VAL 22 2HG2 VAL 22 -4.495 -2.312 -2.729
167 H LYS 23 H LYS 23 -3.632 -5.708 0.885
168 HA LYS 23 HA LYS 23 -5.021 -4.003 2.761
169 HB2 LYS 23 1HB LYS 23 -3.467 -6.597 3.185
170 HB3 LYS 23 2HB LYS 23 -4.475 -5.807 4.408
171 HG2 LYS 23 1HG LYS 23 -6.462 -6.021 2.939
172 HG3 LYS 23 2HG LYS 23 -5.475 -6.842 1.714
173 HD2 LYS 23 1HD LYS 23 -4.960 -8.652 3.325
174 HD3 LYS 23 2HD LYS 23 -5.949 -7.837 4.558
175 HE2 LYS 23 1HE LYS 23 -7.938 -8.020 3.077
176 HE3 LYS 23 2HE LYS 23 -6.954 -8.830 1.851
177 HZ1 LYS 23 3HZ LYS 23 -7.476 -9.883 4.583
178 HZ2 LYS 23 1HZ LYS 23 -6.567 -10.633 3.450
179 HZ3 LYS 23 2HZ LYS 23 -8.168 -10.433 3.212
180 H ASN 24 H ASN 24 -1.557 -4.762 2.383
181 HA ASN 24 HA ASN 24 -0.737 -3.248 4.729
182 HB2 ASN 24 1HB ASN 24 0.808 -4.265 2.302
183 HB3 ASN 24 2HB ASN 24 1.542 -3.441 3.674
184 HD21 ASN 24 1HD2 ASN 24 2.618 -5.797 3.255
185 HD22 ASN 24 2HD2 ASN 24 2.009 -6.989 4.392
186 H LEU 25 H LEU 25 -1.045 -2.468 1.241
187 HA LEU 25 HA LEU 25 -0.208 0.260 1.427
188 HB2 LEU 25 1HB LEU 25 -0.439 -0.723 -0.732
189 HB3 LEU 25 2HB LEU 25 -2.097 -1.224 -0.424
190 HG LEU 25 HG LEU 25 -2.872 1.102 -0.435
191 HD11 LEU 25 1HD1 LEU 25 0.005 1.805 -1.202
192 HD12 LEU 25 2HD1 LEU 25 -0.757 2.232 0.337
193 HD13 LEU 25 3HD1 LEU 25 -1.391 2.911 -1.153
194 HD21 LEU 25 3HD2 LEU 25 -2.653 1.548 -2.774
195 HD22 LEU 25 1HD2 LEU 25 -2.755 -0.209 -2.561
196 HD23 LEU 25 2HD2 LEU 25 -1.182 0.569 -2.887
197 H ILE 26 H ILE 26 -3.534 -1.142 1.818
198 HA ILE 26 HA ILE 26 -4.785 1.355 2.374
199 HB ILE 26 HB ILE 26 -5.525 -1.509 2.996
200 HG12 ILE 26 1HG1 ILE 26 -6.817 0.540 1.130
201 HG13 ILE 26 2HG1 ILE 26 -5.472 -0.462 0.610
202 HG21 ILE 26 1HG2 ILE 26 -7.816 -0.675 3.583
203 HG22 ILE 26 2HG2 ILE 26 -6.609 -0.192 4.765
204 HG23 ILE 26 3HG2 ILE 26 -7.192 0.988 3.572
205 HD11 ILE 26 3HD1 ILE 26 -8.187 -1.493 1.501
206 HD12 ILE 26 1HD1 ILE 26 -7.512 -1.469 -0.138
207 HD13 ILE 26 2HD1 ILE 26 -6.780 -2.512 1.096
208 H LYS 27 H LYS 27 -3.309 -0.985 4.662
209 HA LYS 27 HA LYS 27 -3.853 0.531 7.046
210 HB2 LYS 27 1HB LYS 27 -1.689 -1.491 6.323
211 HB3 LYS 27 2HB LYS 27 -1.830 -0.775 7.934
212 HG2 LYS 27 1HG LYS 27 -4.060 -1.676 8.245
213 HG3 LYS 27 2HG LYS 27 -4.106 -2.294 6.587
214 HD2 LYS 27 1HD LYS 27 -2.186 -3.794 7.087
215 HD3 LYS 27 2HD LYS 27 -2.154 -3.185 8.758
216 HE2 LYS 27 1HE LYS 27 -4.492 -3.985 9.078
217 HE3 LYS 27 2HE LYS 27 -4.504 -4.607 7.422
218 HZ1 LYS 27 3HZ LYS 27 -2.678 -6.107 8.053
219 HZ2 LYS 27 1HZ LYS 27 -3.969 -6.357 9.019
220 HZ3 LYS 27 2HZ LYS 27 -2.681 -5.534 9.584
221 H HIS 28 H HIS 28 -1.095 0.742 4.753
222 HA HIS 28 HA HIS 28 0.278 2.845 6.158
223 HB2 HIS 28 1HB HIS 28 1.491 1.710 4.475
224 HB3 HIS 28 2HB HIS 28 0.239 1.938 3.267
225 HD1 HIS 28 1HD HIS 28 2.684 4.218 5.247
226 HD2 HIS 28 2HD HIS 28 0.448 3.992 1.696
227 HE1 HIS 28 1HE HIS 28 3.274 6.301 3.929
228 H ILE 29 H ILE 29 -2.225 3.013 3.555
229 HA ILE 29 HA ILE 29 -2.338 5.824 3.368
230 HB ILE 29 HB ILE 29 -4.441 3.704 2.853
231 HG12 ILE 29 1HG1 ILE 29 -2.887 5.501 0.931
232 HG13 ILE 29 2HG1 ILE 29 -2.345 3.898 1.404
233 HG21 ILE 29 1HG2 ILE 29 -5.680 5.751 3.392
234 HG22 ILE 29 2HG2 ILE 29 -4.649 6.696 2.285
235 HG23 ILE 29 3HG2 ILE 29 -5.769 5.460 1.675
236 HD11 ILE 29 3HD1 ILE 29 -4.915 4.525 -0.109
237 HD12 ILE 29 1HD1 ILE 29 -3.467 3.750 -0.738
238 HD13 ILE 29 2HD1 ILE 29 -4.448 2.912 0.484
239 H ARG 30 H ARG 30 -4.394 3.747 5.485
240 HA ARG 30 HA ARG 30 -5.617 6.054 6.722
241 HB2 ARG 30 1HB ARG 30 -6.746 4.539 8.161
242 HB3 ARG 30 2HB ARG 30 -6.667 3.847 6.532
243 HG2 ARG 30 1HG ARG 30 -4.944 2.309 7.196
244 HG3 ARG 30 2HG ARG 30 -4.815 3.022 8.797
245 HD2 ARG 30 1HD ARG 30 -6.104 0.907 8.782
246 HD3 ARG 30 2HD ARG 30 -7.028 2.280 9.401
247 HE ARG 30 HE ARG 30 -8.008 2.421 7.005
248 HH11 ARG 30 2HH1 ARG 30 -7.299 -0.700 8.478
249 HH12 ARG 30 1HH1 ARG 30 -8.550 -1.470 7.541
250 HH21 ARG 30 2HH2 ARG 30 -9.487 1.476 5.988
251 HH22 ARG 30 1HH2 ARG 30 -9.813 -0.246 6.127
252 H ASP 31 H ASP 31 -2.523 4.804 7.318
253 HA ASP 31 HA ASP 31 -2.344 6.027 10.018
254 HB2 ASP 31 1HB ASP 31 -1.292 3.839 9.550
255 HB3 ASP 31 2HB ASP 31 -0.271 4.586 8.326
256 H ALA 32 H ALA 32 -0.999 6.487 6.736
257 HA ALA 32 HA ALA 32 0.499 8.870 7.617
258 HB1 ALA 32 1HB ALA 32 0.541 7.277 5.028
259 HB2 ALA 32 2HB ALA 32 1.698 8.536 5.509
260 HB3 ALA 32 3HB ALA 32 1.605 7.022 6.430
261 H HIS 33 H HIS 33 -2.338 8.254 5.610
262 HA HIS 33 HA HIS 33 -2.289 11.098 4.633
263 HB2 HIS 33 1HB HIS 33 -3.140 8.649 3.057
264 HB3 HIS 33 2HB HIS 33 -3.022 10.304 2.470
265 HD1 HIS 33 1HD HIS 33 -0.217 11.247 2.816
266 HD2 HIS 33 2HD HIS 33 -1.157 7.186 2.323
267 HE1 HIS 33 1HE HIS 33 1.917 10.136 1.985
268 H ASP 34 H ASP 34 -4.346 8.326 5.418
269 HA ASP 34 HA ASP 34 -6.560 8.052 5.765
270 HB2 ASP 34 1HB ASP 34 -5.526 8.691 7.878
271 HB3 ASP 34 2HB ASP 34 -5.954 10.375 7.601
272 HA PRO 35 HA PRO 35 -8.237 11.480 3.079
273 HB2 PRO 35 1HB PRO 35 -8.836 10.105 0.804
274 HB3 PRO 35 2HB PRO 35 -7.180 10.670 1.183
275 HG2 PRO 35 1HG PRO 35 -8.348 7.903 1.645
276 HG3 PRO 35 2HG PRO 35 -6.796 8.330 0.865
277 HD2 PRO 35 1HD PRO 35 -6.951 7.630 3.500
278 HD3 PRO 35 2HD PRO 35 -5.788 8.857 2.910
279 H GLN 36 H GLN 36 -9.530 8.184 3.541
280 HA GLN 36 HA GLN 36 -12.235 9.208 4.152
281 HB2 GLN 36 1HB GLN 36 -11.643 7.266 1.875
282 HB3 GLN 36 2HB GLN 36 -13.228 7.424 2.615
283 HG2 GLN 36 1HG GLN 36 -11.791 9.679 1.154
284 HG3 GLN 36 2HG GLN 36 -12.996 8.616 0.457
285 HE21 GLN 36 1HE2 GLN 36 -12.529 11.244 2.816
286 HE22 GLN 36 2HE2 GLN 36 -14.249 11.646 2.921
287 H ASP 37 H ASP 37 -10.410 6.155 3.557
288 HA ASP 37 HA ASP 37 -11.094 5.046 6.202
289 HB2 ASP 37 1HB ASP 37 -13.067 4.555 4.769
290 HB3 ASP 37 2HB ASP 37 -12.017 3.796 3.580
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 -12.518 -15.651 -15.362
2 H2 GLY 1 2H GLY 1 -13.896 -15.525 -16.239
3 H3 GLY 1 3H GLY 1 -13.119 -16.964 -16.139
4 HA2 GLY 1 1HA GLY 1 -15.073 -16.980 -14.732
5 HA3 GLY 1 2HA GLY 1 -13.578 -17.146 -13.793
6 H SER 2 H SER 2 -16.293 -16.041 -13.086
7 HA SER 2 HA SER 2 -16.322 -13.235 -12.986
8 HB2 SER 2 1HB SER 2 -17.661 -15.168 -11.061
9 HB3 SER 2 2HB SER 2 -18.166 -13.506 -11.411
10 HG SER 2 HG SER 2 -18.650 -14.134 -13.533
11 H SER 3 H SER 3 -14.479 -15.334 -10.918
12 HA SER 3 HA SER 3 -14.165 -13.493 -8.686
13 HB2 SER 3 1HB SER 3 -12.362 -15.114 -8.043
14 HB3 SER 3 2HB SER 3 -13.963 -15.835 -8.278
15 HG SER 3 HG SER 3 -12.280 -17.047 -9.299
16 H GLY 4 H GLY 4 -12.805 -13.546 -11.850
17 HA2 GLY 4 1HA GLY 4 -11.277 -12.131 -12.847
18 HA3 GLY 4 2HA GLY 4 -11.088 -11.276 -11.320
19 H SER 5 H SER 5 -8.857 -11.166 -12.200
20 HA SER 5 HA SER 5 -7.147 -13.431 -11.270
21 HB2 SER 5 1HB SER 5 -6.844 -11.970 -13.924
22 HB3 SER 5 2HB SER 5 -5.698 -13.140 -13.247
23 HG SER 5 HG SER 5 -7.138 -14.094 -14.770
24 H SER 6 H SER 6 -5.143 -12.876 -10.480
25 HA SER 6 HA SER 6 -4.695 -10.165 -9.541
26 HB2 SER 6 1HB SER 6 -2.870 -12.600 -9.491
27 HB3 SER 6 2HB SER 6 -2.637 -11.099 -8.577
28 HG SER 6 HG SER 6 -3.657 -12.743 -7.325
29 H GLY 7 H GLY 7 -2.718 -8.929 -9.910
30 HA2 GLY 7 1HA GLY 7 -0.681 -9.333 -11.667
31 HA3 GLY 7 2HA GLY 7 -1.953 -8.763 -12.748
32 H ILE 8 H ILE 8 -2.934 -6.917 -10.441
33 HA ILE 8 HA ILE 8 -1.372 -4.610 -11.263
34 HB ILE 8 HB ILE 8 -3.521 -4.798 -9.127
35 HG12 ILE 8 1HG1 ILE 8 -4.512 -5.548 -11.196
36 HG13 ILE 8 2HG1 ILE 8 -5.092 -3.944 -10.807
37 HG21 ILE 8 1HG2 ILE 8 -3.791 -2.352 -9.575
38 HG22 ILE 8 2HG2 ILE 8 -2.225 -2.753 -8.873
39 HG23 ILE 8 3HG2 ILE 8 -2.345 -2.402 -10.605
40 HD11 ILE 8 3HD1 ILE 8 -2.985 -4.602 -12.918
41 HD12 ILE 8 1HD1 ILE 8 -4.674 -4.160 -13.204
42 HD13 ILE 8 2HD1 ILE 8 -3.563 -2.966 -12.519
43 H LYS 9 H LYS 9 0.478 -3.956 -10.442
44 HA LYS 9 HA LYS 9 1.599 -4.982 -7.952
45 HB2 LYS 9 1HB LYS 9 2.570 -2.808 -9.855
46 HB3 LYS 9 2HB LYS 9 3.482 -3.436 -8.476
47 HG2 LYS 9 1HG LYS 9 3.449 -5.712 -9.472
48 HG3 LYS 9 2HG LYS 9 2.555 -5.089 -10.872
49 HD2 LYS 9 1HD LYS 9 4.440 -3.556 -11.395
50 HD3 LYS 9 2HD LYS 9 5.346 -4.209 -10.010
51 HE2 LYS 9 1HE LYS 9 5.253 -6.476 -11.021
52 HE3 LYS 9 2HE LYS 9 4.337 -5.835 -12.390
53 HZ1 LYS 9 3HZ LYS 9 7.111 -5.034 -11.677
54 HZ2 LYS 9 1HZ LYS 9 6.260 -4.441 -12.942
55 HZ3 LYS 9 2HZ LYS 9 6.699 -6.012 -12.916
56 H GLN 10 H GLN 10 1.629 -4.085 -5.971
57 HA GLN 10 HA GLN 10 -0.223 -1.833 -5.538
58 HB2 GLN 10 1HB GLN 10 1.073 -3.731 -3.552
59 HB3 GLN 10 2HB GLN 10 -0.156 -2.525 -3.182
60 HG2 GLN 10 1HG GLN 10 -0.488 -4.989 -4.946
61 HG3 GLN 10 2HG GLN 10 -1.202 -4.710 -3.372
62 HE21 GLN 10 1HE2 GLN 10 -1.980 -4.726 -6.629
63 HE22 GLN 10 2HE2 GLN 10 -3.322 -3.588 -6.538
64 H HIS 11 H HIS 11 0.389 0.166 -5.337
65 HA HIS 11 HA HIS 11 2.708 0.842 -3.684
66 HB2 HIS 11 1HB HIS 11 3.702 2.384 -5.209
67 HB3 HIS 11 2HB HIS 11 3.585 0.834 -6.022
68 HD1 HIS 11 1HD HIS 11 1.925 4.347 -6.072
69 HD2 HIS 11 2HD HIS 11 2.174 0.763 -8.285
70 HE1 HIS 11 1HE HIS 11 0.937 4.849 -8.362
71 H CYS 12 H CYS 12 2.663 2.952 -2.812
72 HA CYS 12 HA CYS 12 0.094 3.925 -2.073
73 HB2 CYS 12 1HB CYS 12 2.054 4.068 -0.684
74 HB3 CYS 12 2HB CYS 12 2.832 5.184 -1.826
75 H ARG 13 H ARG 13 -1.022 5.609 -2.504
76 HA ARG 13 HA ARG 13 -1.117 6.602 -5.289
77 HB2 ARG 13 1HB ARG 13 -2.855 7.285 -2.886
78 HB3 ARG 13 2HB ARG 13 -3.246 7.561 -4.570
79 HG2 ARG 13 1HG ARG 13 -3.067 4.830 -3.205
80 HG3 ARG 13 2HG ARG 13 -4.512 5.758 -3.537
81 HD2 ARG 13 1HD ARG 13 -4.553 4.299 -5.302
82 HD3 ARG 13 2HD ARG 13 -3.745 5.691 -6.040
83 HE ARG 13 HE ARG 13 -1.855 3.800 -4.878
84 HH11 ARG 13 2HH1 ARG 13 -3.814 4.242 -7.762
85 HH12 ARG 13 1HH1 ARG 13 -2.842 3.126 -8.682
86 HH21 ARG 13 2HH2 ARG 13 -0.694 2.454 -6.077
87 HH22 ARG 13 1HH2 ARG 13 -1.041 2.202 -7.774
88 H PHE 14 H PHE 14 -0.169 7.720 -2.142
89 HA PHE 14 HA PHE 14 -0.099 10.580 -3.009
90 HB2 PHE 14 1HB PHE 14 -0.202 9.392 -0.232
91 HB3 PHE 14 2HB PHE 14 -0.379 11.087 -0.652
92 HD1 PHE 14 2HD PHE 14 -2.376 11.681 -2.283
93 HD2 PHE 14 1HD PHE 14 -2.114 8.017 -0.022
94 HE1 PHE 14 2HE PHE 14 -4.817 11.319 -2.579
95 HE2 PHE 14 1HE PHE 14 -4.553 7.663 -0.314
96 HZ PHE 14 HZ PHE 14 -5.905 9.305 -1.607
97 H CYS 15 H CYS 15 2.008 8.093 -1.594
98 HA CYS 15 HA CYS 15 4.277 9.990 -1.918
99 HB2 CYS 15 1HB CYS 15 5.361 9.286 0.022
100 HB3 CYS 15 2HB CYS 15 3.757 9.873 0.430
101 H LYS 16 H LYS 16 3.054 7.423 -3.273
102 HA LYS 16 HA LYS 16 3.734 5.842 -4.744
103 HB2 LYS 16 1HB LYS 16 6.061 7.752 -5.081
104 HB3 LYS 16 2HB LYS 16 5.578 6.495 -6.225
105 HG2 LYS 16 1HG LYS 16 3.357 7.572 -6.502
106 HG3 LYS 16 2HG LYS 16 3.828 8.841 -5.367
107 HD2 LYS 16 1HD LYS 16 4.065 9.700 -7.587
108 HD3 LYS 16 2HD LYS 16 5.678 9.520 -6.881
109 HE2 LYS 16 1HE LYS 16 5.990 7.395 -8.137
110 HE3 LYS 16 2HE LYS 16 4.357 7.539 -8.798
111 HZ1 LYS 16 3HZ LYS 16 6.567 9.467 -9.287
112 HZ2 LYS 16 1HZ LYS 16 5.059 9.597 -9.902
113 HZ3 LYS 16 2HZ LYS 16 6.023 8.365 -10.360
114 H LYS 17 H LYS 17 4.949 5.505 -1.923
115 HA LYS 17 HA LYS 17 7.214 3.765 -2.176
116 HB2 LYS 17 1HB LYS 17 4.967 3.959 -0.130
117 HB3 LYS 17 2HB LYS 17 6.353 2.875 0.057
118 HG2 LYS 17 1HG LYS 17 7.901 4.795 -0.021
119 HG3 LYS 17 2HG LYS 17 6.523 5.886 -0.271
120 HD2 LYS 17 1HD LYS 17 5.578 5.103 1.934
121 HD3 LYS 17 2HD LYS 17 7.034 4.129 2.163
122 HE2 LYS 17 1HE LYS 17 7.149 6.240 3.421
123 HE3 LYS 17 2HE LYS 17 8.434 6.146 2.213
124 HZ1 LYS 17 3HZ LYS 17 7.245 7.664 0.827
125 HZ2 LYS 17 1HZ LYS 17 7.200 8.329 2.319
126 HZ3 LYS 17 2HZ LYS 17 5.874 7.575 1.692
127 H LYS 18 H LYS 18 7.370 1.576 -2.208
128 HA LYS 18 HA LYS 18 5.210 0.118 -3.666
129 HB2 LYS 18 1HB LYS 18 8.097 -0.664 -3.102
130 HB3 LYS 18 2HB LYS 18 6.934 -1.624 -4.025
131 HG2 LYS 18 1HG LYS 18 6.700 0.227 -5.669
132 HG3 LYS 18 2HG LYS 18 7.907 1.171 -4.773
133 HD2 LYS 18 1HD LYS 18 9.562 -0.675 -5.113
134 HD3 LYS 18 2HD LYS 18 8.388 -1.531 -6.117
135 HE2 LYS 18 1HE LYS 18 9.484 1.270 -6.670
136 HE3 LYS 18 2HE LYS 18 10.118 -0.213 -7.386
137 HZ1 LYS 18 3HZ LYS 18 7.935 -0.579 -8.415
138 HZ2 LYS 18 1HZ LYS 18 8.563 0.849 -8.887
139 HZ3 LYS 18 2HZ LYS 18 7.362 0.821 -7.787
140 H TYR 19 H TYR 19 4.164 -1.679 -2.940
141 HA TYR 19 HA TYR 19 4.566 -2.447 -0.083
142 HB2 TYR 19 1HB TYR 19 2.127 -1.348 -1.448
143 HB3 TYR 19 2HB TYR 19 1.911 -2.587 -0.217
144 HD1 TYR 19 1HD TYR 19 3.072 0.895 -0.793
145 HD2 TYR 19 2HD TYR 19 2.585 -2.279 2.081
146 HE1 TYR 19 1HE TYR 19 3.711 2.454 1.046
147 HE2 TYR 19 2HE TYR 19 3.192 -0.721 3.919
148 HH TYR 19 HH TYR 19 4.156 2.671 3.286
149 H SER 20 H SER 20 4.030 -4.432 0.609
150 HA SER 20 HA SER 20 4.424 -6.572 -1.299
151 HB2 SER 20 1HB SER 20 4.406 -7.959 0.790
152 HB3 SER 20 2HB SER 20 5.569 -6.623 0.802
153 HG SER 20 HG SER 20 4.325 -6.851 2.758
154 H ASP 21 H ASP 21 1.607 -5.268 0.317
155 HA ASP 21 HA ASP 21 -0.185 -7.161 -1.048
156 HB2 ASP 21 1HB ASP 21 0.529 -8.172 1.205
157 HB3 ASP 21 2HB ASP 21 -0.299 -6.827 1.981
158 H VAL 22 H VAL 22 -2.339 -6.349 -1.211
159 HA VAL 22 HA VAL 22 -2.625 -3.496 -1.265
160 HB VAL 22 HB VAL 22 -3.815 -5.114 -2.711
161 HG11 VAL 22 1HG1 VAL 22 -5.867 -6.187 -2.031
162 HG12 VAL 22 2HG1 VAL 22 -4.552 -6.767 -1.000
163 HG13 VAL 22 3HG1 VAL 22 -5.714 -5.571 -0.379
164 HG21 VAL 22 3HG2 VAL 22 -5.856 -3.820 -2.890
165 HG22 VAL 22 1HG2 VAL 22 -5.668 -3.207 -1.232
166 HG23 VAL 22 2HG2 VAL 22 -4.510 -2.741 -2.489
167 H LYS 23 H LYS 23 -3.423 -5.894 1.197
168 HA LYS 23 HA LYS 23 -4.966 -4.111 2.917
169 HB2 LYS 23 1HB LYS 23 -3.457 -6.680 3.543
170 HB3 LYS 23 2HB LYS 23 -4.567 -5.853 4.643
171 HG2 LYS 23 1HG LYS 23 -6.420 -6.119 3.035
172 HG3 LYS 23 2HG LYS 23 -5.362 -6.956 1.903
173 HD2 LYS 23 1HD LYS 23 -6.120 -7.901 4.694
174 HD3 LYS 23 2HD LYS 23 -6.779 -8.515 3.182
175 HE2 LYS 23 1HE LYS 23 -3.891 -8.782 4.134
176 HE3 LYS 23 2HE LYS 23 -5.115 -10.052 4.122
177 HZ1 LYS 23 3HZ LYS 23 -3.711 -10.272 2.192
178 HZ2 LYS 23 1HZ LYS 23 -3.929 -8.736 1.735
179 HZ3 LYS 23 2HZ LYS 23 -5.184 -9.805 1.658
180 H ASN 24 H ASN 24 -1.513 -4.932 2.717
181 HA ASN 24 HA ASN 24 -0.691 -3.382 5.017
182 HB2 ASN 24 1HB ASN 24 0.576 -5.275 3.868
183 HB3 ASN 24 2HB ASN 24 0.943 -4.152 2.558
184 HD21 ASN 24 1HD2 ASN 24 3.181 -4.940 3.299
185 HD22 ASN 24 2HD2 ASN 24 3.927 -3.961 4.556
186 H LEU 25 H LEU 25 -0.901 -2.664 1.511
187 HA LEU 25 HA LEU 25 -0.108 0.071 1.601
188 HB2 LEU 25 1HB LEU 25 -0.195 -1.114 -0.466
189 HB3 LEU 25 2HB LEU 25 -1.876 -1.570 -0.237
190 HG LEU 25 HG LEU 25 -2.637 0.709 -0.592
191 HD11 LEU 25 1HD1 LEU 25 -0.661 1.977 0.299
192 HD12 LEU 25 2HD1 LEU 25 -1.129 2.465 -1.323
193 HD13 LEU 25 3HD1 LEU 25 0.296 1.420 -1.086
194 HD21 LEU 25 3HD2 LEU 25 -0.641 -0.153 -2.722
195 HD22 LEU 25 1HD2 LEU 25 -2.023 0.936 -2.954
196 HD23 LEU 25 2HD2 LEU 25 -2.304 -0.765 -2.544
197 H ILE 26 H ILE 26 -3.451 -1.326 1.883
198 HA ILE 26 HA ILE 26 -4.710 1.212 2.248
199 HB ILE 26 HB ILE 26 -5.536 -1.618 2.910
200 HG12 ILE 26 1HG1 ILE 26 -6.659 0.421 0.922
201 HG13 ILE 26 2HG1 ILE 26 -5.343 -0.665 0.506
202 HG21 ILE 26 1HG2 ILE 26 -7.166 0.932 3.332
203 HG22 ILE 26 2HG2 ILE 26 -7.837 -0.717 3.351
204 HG23 ILE 26 3HG2 ILE 26 -6.678 -0.238 4.586
205 HD11 ILE 26 3HD1 ILE 26 -6.794 -2.628 1.006
206 HD12 ILE 26 1HD1 ILE 26 -8.160 -1.513 1.268
207 HD13 ILE 26 2HD1 ILE 26 -7.380 -1.604 -0.320
208 H LYS 27 H LYS 27 -3.375 -1.057 4.686
209 HA LYS 27 HA LYS 27 -4.037 0.510 6.998
210 HB2 LYS 27 1HB LYS 27 -1.882 -1.555 6.437
211 HB3 LYS 27 2HB LYS 27 -2.039 -0.755 8.006
212 HG2 LYS 27 1HG LYS 27 -4.322 -1.557 8.282
213 HG3 LYS 27 2HG LYS 27 -4.313 -2.292 6.673
214 HD2 LYS 27 1HD LYS 27 -2.475 -3.811 7.367
215 HD3 LYS 27 2HD LYS 27 -2.479 -3.071 8.984
216 HE2 LYS 27 1HE LYS 27 -4.867 -3.753 9.264
217 HE3 LYS 27 2HE LYS 27 -4.824 -4.525 7.674
218 HZ1 LYS 27 3HZ LYS 27 -3.090 -6.023 8.530
219 HZ2 LYS 27 1HZ LYS 27 -4.432 -6.133 9.453
220 HZ3 LYS 27 2HZ LYS 27 -3.139 -5.304 9.998
221 H HIS 28 H HIS 28 -1.200 0.706 4.815
222 HA HIS 28 HA HIS 28 0.104 2.845 6.227
223 HB2 HIS 28 1HB HIS 28 1.366 1.670 4.619
224 HB3 HIS 28 2HB HIS 28 0.172 1.886 3.354
225 HD1 HIS 28 1HD HIS 28 2.573 4.163 5.384
226 HD2 HIS 28 2HD HIS 28 0.550 3.858 1.714
227 HE1 HIS 28 1HE HIS 28 3.350 6.144 4.007
228 H ILE 29 H ILE 29 -2.307 2.968 3.523
229 HA ILE 29 HA ILE 29 -2.369 5.795 3.329
230 HB ILE 29 HB ILE 29 -4.477 3.717 2.674
231 HG12 ILE 29 1HG1 ILE 29 -2.731 5.412 0.825
232 HG13 ILE 29 2HG1 ILE 29 -2.232 3.831 1.401
233 HG21 ILE 29 1HG2 ILE 29 -4.511 6.709 2.041
234 HG22 ILE 29 2HG2 ILE 29 -5.619 5.511 1.341
235 HG23 ILE 29 3HG2 ILE 29 -5.678 5.837 3.060
236 HD11 ILE 29 3HD1 ILE 29 -4.263 2.807 0.372
237 HD12 ILE 29 1HD1 ILE 29 -4.670 4.394 -0.330
238 HD13 ILE 29 2HD1 ILE 29 -3.175 3.580 -0.798
239 H ARG 30 H ARG 30 -4.529 3.714 5.332
240 HA ARG 30 HA ARG 30 -5.918 5.986 6.440
241 HB2 ARG 30 1HB ARG 30 -7.043 4.444 7.875
242 HB3 ARG 30 2HB ARG 30 -6.879 3.726 6.269
243 HG2 ARG 30 1HG ARG 30 -5.014 2.345 7.059
244 HG3 ARG 30 2HG ARG 30 -5.097 3.070 8.654
245 HD2 ARG 30 1HD ARG 30 -6.171 0.900 8.689
246 HD3 ARG 30 2HD ARG 30 -7.355 2.184 8.991
247 HE ARG 30 HE ARG 30 -7.309 1.569 6.191
248 HH11 ARG 30 2HH1 ARG 30 -8.406 0.099 9.177
249 HH12 ARG 30 1HH1 ARG 30 -9.719 -0.736 8.395
250 HH21 ARG 30 2HH2 ARG 30 -9.055 0.513 5.265
251 HH22 ARG 30 1HH2 ARG 30 -10.054 -0.519 6.240
252 H ASP 31 H ASP 31 -2.824 4.824 7.251
253 HA ASP 31 HA ASP 31 -2.841 6.104 9.937
254 HB2 ASP 31 1HB ASP 31 -1.855 3.858 9.627
255 HB3 ASP 31 2HB ASP 31 -0.694 4.522 8.481
256 H ALA 32 H ALA 32 -1.180 6.401 6.781
257 HA ALA 32 HA ALA 32 0.343 8.734 7.733
258 HB1 ALA 32 1HB ALA 32 1.704 8.301 5.754
259 HB2 ALA 32 2HB ALA 32 1.447 6.800 6.666
260 HB3 ALA 32 3HB ALA 32 0.529 7.106 5.172
261 H HIS 33 H HIS 33 -2.369 8.204 5.539
262 HA HIS 33 HA HIS 33 -2.082 11.011 4.501
263 HB2 HIS 33 1HB HIS 33 -2.974 8.554 2.960
264 HB3 HIS 33 2HB HIS 33 -2.805 10.190 2.329
265 HD1 HIS 33 1HD HIS 33 -0.003 11.102 2.831
266 HD2 HIS 33 2HD HIS 33 -0.989 7.058 2.279
267 HE1 HIS 33 1HE HIS 33 2.148 9.960 2.096
268 H ASP 34 H ASP 34 -4.359 8.462 5.382
269 HA ASP 34 HA ASP 34 -6.635 8.404 5.484
270 HB2 ASP 34 1HB ASP 34 -7.385 9.411 7.487
271 HB3 ASP 34 2HB ASP 34 -5.772 8.758 7.664
272 HA PRO 35 HA PRO 35 -7.624 11.864 2.607
273 HB2 PRO 35 1HB PRO 35 -8.941 9.653 1.057
274 HB3 PRO 35 2HB PRO 35 -7.905 10.991 0.467
275 HG2 PRO 35 1HG PRO 35 -6.901 8.485 0.681
276 HG3 PRO 35 2HG PRO 35 -5.922 9.888 1.239
277 HD2 PRO 35 1HD PRO 35 -7.693 8.070 2.904
278 HD3 PRO 35 2HD PRO 35 -5.977 8.502 3.161
279 H GLN 36 H GLN 36 -9.611 12.836 1.944
280 HA GLN 36 HA GLN 36 -12.129 11.824 3.201
281 HB2 GLN 36 1HB GLN 36 -11.118 14.689 3.093
282 HB3 GLN 36 2HB GLN 36 -12.712 14.205 3.671
283 HG2 GLN 36 1HG GLN 36 -10.103 13.299 4.971
284 HG3 GLN 36 2HG GLN 36 -11.045 14.691 5.472
285 HE21 GLN 36 1HE2 GLN 36 -11.184 11.093 5.211
286 HE22 GLN 36 2HE2 GLN 36 -12.437 10.947 6.444
287 H ASP 37 H ASP 37 -10.996 11.575 0.445
288 HA ASP 37 HA ASP 37 -13.363 12.475 -1.099
289 HB2 ASP 37 1HB ASP 37 -11.704 14.279 -1.348
290 HB3 ASP 37 2HB ASP 37 -10.491 13.117 -1.870
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 4.181 -17.539 3.381
2 H2 GLY 1 2H GLY 1 5.577 -18.392 3.290
3 H3 GLY 1 3H GLY 1 4.253 -18.892 2.463
4 HA2 GLY 1 1HA GLY 1 5.740 -16.399 1.952
5 HA3 GLY 1 2HA GLY 1 5.841 -17.868 0.965
6 H SER 2 H SER 2 5.094 -15.316 -0.018
7 HA SER 2 HA SER 2 2.219 -15.061 -0.219
8 HB2 SER 2 1HB SER 2 4.425 -13.590 -1.694
9 HB3 SER 2 2HB SER 2 2.728 -13.089 -1.578
10 HG SER 2 HG SER 2 2.994 -12.855 0.668
11 H SER 3 H SER 3 2.976 -17.603 -1.258
12 HA SER 3 HA SER 3 3.341 -17.799 -4.029
13 HB2 SER 3 1HB SER 3 1.783 -19.689 -2.227
14 HB3 SER 3 2HB SER 3 2.483 -20.078 -3.811
15 HG SER 3 HG SER 3 3.858 -20.720 -2.087
16 H GLY 4 H GLY 4 2.128 -17.435 -5.760
17 HA2 GLY 4 1HA GLY 4 0.283 -17.168 -7.146
18 HA3 GLY 4 2HA GLY 4 -0.796 -17.559 -5.809
19 H SER 5 H SER 5 0.821 -15.247 -4.298
20 HA SER 5 HA SER 5 -0.905 -13.016 -5.263
21 HB2 SER 5 1HB SER 5 0.629 -13.334 -2.663
22 HB3 SER 5 2HB SER 5 -0.445 -11.992 -3.096
23 HG SER 5 HG SER 5 -1.523 -13.577 -1.832
24 H SER 6 H SER 6 2.528 -13.865 -4.869
25 HA SER 6 HA SER 6 3.702 -11.337 -5.184
26 HB2 SER 6 1HB SER 6 4.698 -14.020 -6.220
27 HB3 SER 6 2HB SER 6 5.685 -12.563 -6.000
28 HG SER 6 HG SER 6 5.841 -13.986 -4.213
29 H GLY 7 H GLY 7 1.960 -13.060 -7.634
30 HA2 GLY 7 1HA GLY 7 3.223 -12.052 -10.003
31 HA3 GLY 7 2HA GLY 7 1.581 -12.686 -9.865
32 H ILE 8 H ILE 8 1.289 -10.363 -7.691
33 HA ILE 8 HA ILE 8 1.070 -8.047 -9.559
34 HB ILE 8 HB ILE 8 -0.866 -7.233 -8.283
35 HG12 ILE 8 1HG1 ILE 8 -1.057 -10.027 -7.075
36 HG13 ILE 8 2HG1 ILE 8 -0.498 -8.601 -6.198
37 HG21 ILE 8 1HG2 ILE 8 -1.055 -8.431 -10.466
38 HG22 ILE 8 2HG2 ILE 8 -1.369 -9.941 -9.583
39 HG23 ILE 8 3HG2 ILE 8 -2.500 -8.575 -9.464
40 HD11 ILE 8 3HD1 ILE 8 -2.806 -8.989 -5.645
41 HD12 ILE 8 1HD1 ILE 8 -2.705 -7.502 -6.609
42 HD13 ILE 8 2HD1 ILE 8 -3.282 -9.018 -7.349
43 H LYS 9 H LYS 9 1.410 -6.011 -8.698
44 HA LYS 9 HA LYS 9 2.806 -5.802 -6.055
45 HB2 LYS 9 1HB LYS 9 3.623 -4.401 -8.638
46 HB3 LYS 9 2HB LYS 9 4.393 -4.217 -7.068
47 HG2 LYS 9 1HG LYS 9 4.383 -6.743 -8.772
48 HG3 LYS 9 2HG LYS 9 5.710 -5.595 -8.598
49 HD2 LYS 9 1HD LYS 9 5.785 -6.113 -6.134
50 HD3 LYS 9 2HD LYS 9 4.601 -7.393 -6.394
51 HE2 LYS 9 1HE LYS 9 7.363 -7.200 -7.670
52 HE3 LYS 9 2HE LYS 9 6.922 -8.243 -6.319
53 HZ1 LYS 9 3HZ LYS 9 5.375 -9.422 -7.812
54 HZ2 LYS 9 1HZ LYS 9 6.896 -9.472 -8.394
55 HZ3 LYS 9 2HZ LYS 9 5.812 -8.462 -9.067
56 H GLN 10 H GLN 10 2.682 -3.692 -5.079
57 HA GLN 10 HA GLN 10 0.633 -1.834 -6.208
58 HB2 GLN 10 1HB GLN 10 0.808 -2.839 -3.340
59 HB3 GLN 10 2HB GLN 10 -0.156 -1.454 -3.835
60 HG2 GLN 10 1HG GLN 10 -0.543 -4.298 -4.870
61 HG3 GLN 10 2HG GLN 10 -1.473 -3.549 -3.589
62 HE21 GLN 10 1HE2 GLN 10 -2.734 -4.597 -5.901
63 HE22 GLN 10 2HE2 GLN 10 -3.418 -3.235 -6.772
64 H HIS 11 H HIS 11 0.883 0.323 -5.755
65 HA HIS 11 HA HIS 11 3.136 1.162 -4.044
66 HB2 HIS 11 1HB HIS 11 3.883 2.865 -5.515
67 HB3 HIS 11 2HB HIS 11 3.901 1.352 -6.407
68 HD1 HIS 11 1HD HIS 11 1.686 4.568 -6.142
69 HD2 HIS 11 2HD HIS 11 2.564 1.316 -8.681
70 HE1 HIS 11 1HE HIS 11 0.527 5.050 -8.351
71 H CYS 12 H CYS 12 2.802 3.133 -2.923
72 HA CYS 12 HA CYS 12 0.132 3.747 -2.250
73 HB2 CYS 12 1HB CYS 12 2.040 4.064 -0.793
74 HB3 CYS 12 2HB CYS 12 2.702 5.305 -1.872
75 H ARG 13 H ARG 13 -1.199 5.319 -2.576
76 HA ARG 13 HA ARG 13 -1.425 6.390 -5.302
77 HB2 ARG 13 1HB ARG 13 -3.131 6.957 -2.842
78 HB3 ARG 13 2HB ARG 13 -3.584 7.183 -4.521
79 HG2 ARG 13 1HG ARG 13 -3.171 4.505 -3.114
80 HG3 ARG 13 2HG ARG 13 -4.684 5.290 -3.490
81 HD2 ARG 13 1HD ARG 13 -4.727 4.107 -5.375
82 HD3 ARG 13 2HD ARG 13 -3.497 5.196 -6.000
83 HE ARG 13 HE ARG 13 -1.788 3.545 -5.066
84 HH11 ARG 13 1HH1 ARG 13 -4.938 2.316 -6.074
85 HH12 ARG 13 2HH1 ARG 13 -4.302 0.704 -6.277
86 HH21 ARG 13 2HH2 ARG 13 -1.134 1.535 -5.277
87 HH22 ARG 13 1HH2 ARG 13 -2.199 0.241 -5.804
88 H PHE 14 H PHE 14 -0.440 7.547 -2.194
89 HA PHE 14 HA PHE 14 -0.532 10.408 -3.040
90 HB2 PHE 14 1HB PHE 14 -0.339 9.181 -0.290
91 HB3 PHE 14 2HB PHE 14 -0.609 10.877 -0.654
92 HD1 PHE 14 2HD PHE 14 -2.796 11.544 -1.835
93 HD2 PHE 14 1HD PHE 14 -2.148 7.637 -0.127
94 HE1 PHE 14 2HE PHE 14 -5.250 11.144 -1.808
95 HE2 PHE 14 1HE PHE 14 -4.601 7.243 -0.100
96 HZ PHE 14 HZ PHE 14 -6.152 8.996 -0.938
97 H CYS 15 H CYS 15 1.801 7.999 -1.826
98 HA CYS 15 HA CYS 15 3.958 10.004 -2.271
99 HB2 CYS 15 1HB CYS 15 5.156 9.361 -0.352
100 HB3 CYS 15 2HB CYS 15 3.544 9.896 0.105
101 H LYS 16 H LYS 16 2.829 7.229 -3.453
102 HA LYS 16 HA LYS 16 3.579 5.514 -4.721
103 HB2 LYS 16 1HB LYS 16 5.777 7.481 -5.401
104 HB3 LYS 16 2HB LYS 16 5.351 6.039 -6.329
105 HG2 LYS 16 1HG LYS 16 3.058 6.926 -6.693
106 HG3 LYS 16 2HG LYS 16 3.476 8.381 -5.781
107 HD2 LYS 16 1HD LYS 16 3.608 8.898 -8.112
108 HD3 LYS 16 2HD LYS 16 5.247 8.917 -7.445
109 HE2 LYS 16 1HE LYS 16 5.649 6.643 -8.369
110 HE3 LYS 16 2HE LYS 16 3.993 6.596 -8.989
111 HZ1 LYS 16 3HZ LYS 16 4.549 8.493 -10.418
112 HZ2 LYS 16 1HZ LYS 16 5.571 7.257 -10.714
113 HZ3 LYS 16 2HZ LYS 16 6.077 8.539 -9.840
114 H LYS 17 H LYS 17 4.772 5.569 -1.900
115 HA LYS 17 HA LYS 17 7.101 3.932 -1.903
116 HB2 LYS 17 1HB LYS 17 5.978 5.056 0.072
117 HB3 LYS 17 2HB LYS 17 4.733 3.822 0.028
118 HG2 LYS 17 1HG LYS 17 6.334 2.073 0.524
119 HG3 LYS 17 2HG LYS 17 7.705 3.174 0.290
120 HD2 LYS 17 1HD LYS 17 7.041 4.499 2.233
121 HD3 LYS 17 2HD LYS 17 5.619 3.490 2.501
122 HE2 LYS 17 1HE LYS 17 8.506 2.488 2.560
123 HE3 LYS 17 2HE LYS 17 7.594 2.983 3.988
124 HZ1 LYS 17 3HZ LYS 17 5.976 1.239 3.500
125 HZ2 LYS 17 1HZ LYS 17 7.467 0.594 3.695
126 HZ3 LYS 17 2HZ LYS 17 6.836 0.738 2.195
127 H LYS 18 H LYS 18 7.419 1.786 -2.240
128 HA LYS 18 HA LYS 18 5.332 0.204 -3.564
129 HB2 LYS 18 1HB LYS 18 8.183 -0.504 -2.770
130 HB3 LYS 18 2HB LYS 18 7.085 -1.570 -3.660
131 HG2 LYS 18 1HG LYS 18 6.879 0.128 -5.465
132 HG3 LYS 18 2HG LYS 18 8.021 1.176 -4.601
133 HD2 LYS 18 1HD LYS 18 9.777 -0.581 -4.787
134 HD3 LYS 18 2HD LYS 18 8.621 -1.645 -5.594
135 HE2 LYS 18 1HE LYS 18 9.991 -0.700 -7.298
136 HE3 LYS 18 2HE LYS 18 8.387 0.021 -7.444
137 HZ1 LYS 18 3HZ LYS 18 10.731 1.317 -6.142
138 HZ2 LYS 18 1HZ LYS 18 9.256 2.005 -6.315
139 HZ3 LYS 18 2HZ LYS 18 10.166 1.679 -7.627
140 H TYR 19 H TYR 19 4.161 -1.435 -2.850
141 HA TYR 19 HA TYR 19 4.470 -2.436 -0.069
142 HB2 TYR 19 1HB TYR 19 2.106 -1.007 -1.259
143 HB3 TYR 19 2HB TYR 19 1.802 -2.356 -0.172
144 HD1 TYR 19 2HD TYR 19 2.602 -2.383 2.135
145 HD2 TYR 19 1HD TYR 19 3.109 1.114 -0.351
146 HE1 TYR 19 2HE TYR 19 3.275 -1.065 4.132
147 HE2 TYR 19 1HE TYR 19 3.741 2.433 1.659
148 HH TYR 19 HH TYR 19 4.010 0.951 4.914
149 H SER 20 H SER 20 3.732 -4.465 0.387
150 HA SER 20 HA SER 20 4.084 -6.343 -1.779
151 HB2 SER 20 1HB SER 20 3.981 -7.997 0.096
152 HB3 SER 20 2HB SER 20 5.164 -6.699 0.330
153 HG SER 20 HG SER 20 4.007 -6.984 2.224
154 H ASP 21 H ASP 21 1.265 -5.129 -0.125
155 HA ASP 21 HA ASP 21 -0.539 -6.753 -1.779
156 HB2 ASP 21 1HB ASP 21 -0.060 -8.157 0.264
157 HB3 ASP 21 2HB ASP 21 -0.679 -6.847 1.269
158 H VAL 22 H VAL 22 -2.689 -5.850 -1.861
159 HA VAL 22 HA VAL 22 -2.802 -3.012 -1.666
160 HB VAL 22 HB VAL 22 -4.140 -4.427 -3.193
161 HG11 VAL 22 1HG1 VAL 22 -6.253 -5.381 -2.560
162 HG12 VAL 22 2HG1 VAL 22 -4.988 -6.122 -1.571
163 HG13 VAL 22 3HG1 VAL 22 -6.052 -4.877 -0.874
164 HG21 VAL 22 3HG2 VAL 22 -6.099 -2.960 -3.204
165 HG22 VAL 22 1HG2 VAL 22 -5.770 -2.456 -1.532
166 HG23 VAL 22 2HG2 VAL 22 -4.638 -2.029 -2.831
167 H LYS 23 H LYS 23 -3.859 -5.493 0.669
168 HA LYS 23 HA LYS 23 -5.166 -3.510 2.393
169 HB2 LYS 23 1HB LYS 23 -4.240 -6.342 3.062
170 HB3 LYS 23 2HB LYS 23 -5.326 -5.352 4.030
171 HG2 LYS 23 1HG LYS 23 -5.913 -6.457 1.248
172 HG3 LYS 23 2HG LYS 23 -6.546 -7.053 2.780
173 HD2 LYS 23 1HD LYS 23 -7.694 -4.858 3.146
174 HD3 LYS 23 2HD LYS 23 -7.130 -4.324 1.545
175 HE2 LYS 23 1HE LYS 23 -8.295 -6.237 0.487
176 HE3 LYS 23 2HE LYS 23 -8.846 -6.790 2.073
177 HZ1 LYS 23 3HZ LYS 23 -10.562 -5.499 0.950
178 HZ2 LYS 23 1HZ LYS 23 -9.591 -4.195 0.825
179 HZ3 LYS 23 2HZ LYS 23 -10.095 -4.708 2.296
180 H ASN 24 H ASN 24 -1.887 -4.826 2.227
181 HA ASN 24 HA ASN 24 -0.963 -3.498 4.659
182 HB2 ASN 24 1HB ASN 24 0.483 -4.574 2.203
183 HB3 ASN 24 2HB ASN 24 1.307 -3.800 3.553
184 HD21 ASN 24 1HD2 ASN 24 1.828 -6.481 2.761
185 HD22 ASN 24 2HD2 ASN 24 1.316 -7.489 4.108
186 H LEU 25 H LEU 25 -1.322 -2.490 1.252
187 HA LEU 25 HA LEU 25 -0.298 0.163 1.725
188 HB2 LEU 25 1HB LEU 25 -0.337 -0.716 -0.501
189 HB3 LEU 25 2HB LEU 25 -2.070 -1.021 -0.426
190 HG LEU 25 HG LEU 25 -2.570 1.350 -0.389
191 HD11 LEU 25 1HD1 LEU 25 -0.914 3.073 -0.593
192 HD12 LEU 25 2HD1 LEU 25 0.415 1.879 -0.696
193 HD13 LEU 25 3HD1 LEU 25 -0.482 2.129 0.809
194 HD21 LEU 25 3HD2 LEU 25 -0.590 0.651 -2.584
195 HD22 LEU 25 1HD2 LEU 25 -1.819 1.934 -2.644
196 HD23 LEU 25 2HD2 LEU 25 -2.318 0.234 -2.563
197 H ILE 26 H ILE 26 -3.705 -1.136 1.862
198 HA ILE 26 HA ILE 26 -4.941 1.291 2.574
199 HB ILE 26 HB ILE 26 -5.626 -1.489 3.584
200 HG12 ILE 26 1HG1 ILE 26 -6.105 -1.893 1.405
201 HG13 ILE 26 2HG1 ILE 26 -7.593 -1.131 1.839
202 HG21 ILE 26 1HG2 ILE 26 -7.896 -0.557 3.971
203 HG22 ILE 26 2HG2 ILE 26 -6.683 0.212 4.979
204 HG23 ILE 26 3HG2 ILE 26 -7.284 1.056 3.530
205 HD11 ILE 26 3HD1 ILE 26 -5.280 0.088 0.311
206 HD12 ILE 26 1HD1 ILE 26 -6.894 -0.307 -0.283
207 HD13 ILE 26 2HD1 ILE 26 -6.692 1.033 0.874
208 H LYS 27 H LYS 27 -3.344 -1.089 4.719
209 HA LYS 27 HA LYS 27 -3.662 0.276 7.204
210 HB2 LYS 27 1HB LYS 27 -1.594 -1.673 6.130
211 HB3 LYS 27 2HB LYS 27 -1.543 -1.086 7.792
212 HG2 LYS 27 1HG LYS 27 -3.535 -2.157 8.401
213 HG3 LYS 27 2HG LYS 27 -4.102 -2.314 6.740
214 HD2 LYS 27 1HD LYS 27 -3.427 -4.480 7.701
215 HD3 LYS 27 2HD LYS 27 -2.519 -4.061 6.253
216 HE2 LYS 27 1HE LYS 27 -0.619 -3.281 7.709
217 HE3 LYS 27 2HE LYS 27 -1.529 -3.825 9.126
218 HZ1 LYS 27 3HZ LYS 27 0.037 -5.524 8.365
219 HZ2 LYS 27 1HZ LYS 27 -0.635 -5.571 6.876
220 HZ3 LYS 27 2HZ LYS 27 -1.483 -6.084 8.182
221 H HIS 28 H HIS 28 -1.244 0.806 4.659
222 HA HIS 28 HA HIS 28 0.252 2.818 6.152
223 HB2 HIS 28 1HB HIS 28 1.368 1.663 4.423
224 HB3 HIS 28 2HB HIS 28 0.115 1.980 3.243
225 HD1 HIS 28 1HD HIS 28 2.977 3.855 5.001
226 HD2 HIS 28 2HD HIS 28 0.268 4.162 1.808
227 HE1 HIS 28 1HE HIS 28 3.708 5.890 3.673
228 H ILE 29 H ILE 29 -2.327 3.009 3.636
229 HA ILE 29 HA ILE 29 -2.449 5.843 3.498
230 HB ILE 29 HB ILE 29 -4.496 3.685 2.909
231 HG12 ILE 29 1HG1 ILE 29 -2.942 5.498 1.004
232 HG13 ILE 29 2HG1 ILE 29 -2.321 3.945 1.536
233 HG21 ILE 29 1HG2 ILE 29 -5.794 5.714 3.390
234 HG22 ILE 29 2HG2 ILE 29 -4.732 6.678 2.342
235 HG23 ILE 29 3HG2 ILE 29 -5.795 5.428 1.662
236 HD11 ILE 29 3HD1 ILE 29 -4.325 2.803 0.604
237 HD12 ILE 29 1HD1 ILE 29 -4.874 4.363 -0.061
238 HD13 ILE 29 2HD1 ILE 29 -3.351 3.659 -0.614
239 H ARG 30 H ARG 30 -4.368 3.634 5.588
240 HA ARG 30 HA ARG 30 -5.796 5.790 6.861
241 HB2 ARG 30 1HB ARG 30 -6.762 4.181 8.261
242 HB3 ARG 30 2HB ARG 30 -6.568 3.410 6.681
243 HG2 ARG 30 1HG ARG 30 -4.526 2.250 7.554
244 HG3 ARG 30 2HG ARG 30 -4.811 2.978 9.137
245 HD2 ARG 30 1HD ARG 30 -7.111 1.912 9.145
246 HD3 ARG 30 2HD ARG 30 -6.688 1.104 7.638
247 HE ARG 30 HE ARG 30 -5.463 -0.448 8.819
248 HH11 ARG 30 2HH1 ARG 30 -6.007 2.228 11.025
249 HH12 ARG 30 1HH1 ARG 30 -5.370 1.347 12.384
250 HH21 ARG 30 2HH2 ARG 30 -4.658 -1.502 10.608
251 HH22 ARG 30 1HH2 ARG 30 -4.627 -0.694 12.145
252 H ASP 31 H ASP 31 -2.575 5.048 7.266
253 HA ASP 31 HA ASP 31 -2.501 6.229 10.012
254 HB2 ASP 31 1HB ASP 31 -1.479 3.997 9.733
255 HB3 ASP 31 2HB ASP 31 -0.393 4.641 8.504
256 H ALA 32 H ALA 32 -0.949 6.447 6.787
257 HA ALA 32 HA ALA 32 0.469 8.912 7.551
258 HB1 ALA 32 1HB ALA 32 1.737 8.458 5.500
259 HB2 ALA 32 2HB ALA 32 1.649 7.012 6.525
260 HB3 ALA 32 3HB ALA 32 0.623 7.141 5.079
261 H HIS 33 H HIS 33 -2.326 8.106 5.567
262 HA HIS 33 HA HIS 33 -2.381 10.869 4.427
263 HB2 HIS 33 1HB HIS 33 -2.991 8.325 2.895
264 HB3 HIS 33 2HB HIS 33 -2.938 9.964 2.257
265 HD1 HIS 33 1HD HIS 33 -0.241 11.094 2.595
266 HD2 HIS 33 2HD HIS 33 -0.903 6.955 2.357
267 HE1 HIS 33 1HE HIS 33 1.968 10.082 1.829
268 H ASP 34 H ASP 34 -3.949 9.372 6.617
269 HA ASP 34 HA ASP 34 -6.463 8.627 5.835
270 HB2 ASP 34 1HB ASP 34 -5.438 8.197 7.998
271 HB3 ASP 34 2HB ASP 34 -5.600 9.891 8.450
272 HA PRO 35 HA PRO 35 -8.084 12.635 4.581
273 HB2 PRO 35 1HB PRO 35 -10.471 11.868 3.494
274 HB3 PRO 35 2HB PRO 35 -8.888 11.514 2.737
275 HG2 PRO 35 1HG PRO 35 -10.539 9.690 4.521
276 HG3 PRO 35 2HG PRO 35 -9.816 9.314 2.921
277 HD2 PRO 35 1HD PRO 35 -8.565 8.643 5.244
278 HD3 PRO 35 2HD PRO 35 -7.630 9.215 3.836
279 H GLN 36 H GLN 36 -9.820 14.109 4.966
280 HA GLN 36 HA GLN 36 -10.671 14.131 7.711
281 HB2 GLN 36 1HB GLN 36 -11.317 16.356 7.327
282 HB3 GLN 36 2HB GLN 36 -9.823 16.108 6.446
283 HG2 GLN 36 1HG GLN 36 -12.620 16.126 5.195
284 HG3 GLN 36 2HG GLN 36 -11.557 17.512 5.286
285 HE21 GLN 36 1HE2 GLN 36 -12.527 16.755 2.811
286 HE22 GLN 36 2HE2 GLN 36 -11.194 16.094 1.874
287 H ASP 37 H ASP 37 -12.209 12.709 5.082
288 HA ASP 37 HA ASP 37 -14.852 12.630 6.436
289 HB2 ASP 37 1HB ASP 37 -14.981 14.478 4.816
290 HB3 ASP 37 2HB ASP 37 -14.423 13.423 3.529
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 20.489 -17.924 -11.744
2 H2 GLY 1 2H GLY 1 20.829 -19.392 -11.099
3 H3 GLY 1 3H GLY 1 19.409 -18.652 -10.752
4 HA2 GLY 1 1HA GLY 1 20.226 -19.650 -13.406
5 HA3 GLY 1 2HA GLY 1 19.043 -20.422 -12.335
6 H SER 2 H SER 2 17.393 -20.250 -13.908
7 HA SER 2 HA SER 2 16.605 -17.829 -15.203
8 HB2 SER 2 1HB SER 2 14.962 -20.323 -14.630
9 HB3 SER 2 2HB SER 2 14.592 -19.071 -15.830
10 HG SER 2 HG SER 2 15.663 -20.881 -16.764
11 H SER 3 H SER 3 14.701 -16.563 -14.953
12 HA SER 3 HA SER 3 14.122 -15.646 -12.330
13 HB2 SER 3 1HB SER 3 12.514 -15.244 -14.880
14 HB3 SER 3 2HB SER 3 12.409 -14.265 -13.404
15 HG SER 3 HG SER 3 13.779 -13.311 -14.991
16 H GLY 4 H GLY 4 12.298 -15.761 -11.029
17 HA2 GLY 4 1HA GLY 4 10.095 -17.649 -11.599
18 HA3 GLY 4 2HA GLY 4 11.222 -18.122 -10.324
19 H SER 5 H SER 5 10.259 -14.759 -10.941
20 HA SER 5 HA SER 5 9.644 -14.207 -8.233
21 HB2 SER 5 1HB SER 5 8.800 -12.651 -10.703
22 HB3 SER 5 2HB SER 5 8.888 -12.035 -9.041
23 HG SER 5 HG SER 5 10.767 -11.508 -10.258
24 H SER 6 H SER 6 7.737 -13.719 -7.147
25 HA SER 6 HA SER 6 5.114 -14.490 -8.301
26 HB2 SER 6 1HB SER 6 4.672 -16.028 -6.450
27 HB3 SER 6 2HB SER 6 6.075 -16.555 -7.385
28 HG SER 6 HG SER 6 6.458 -16.671 -5.125
29 H GLY 7 H GLY 7 3.330 -14.152 -6.655
30 HA2 GLY 7 1HA GLY 7 2.246 -12.918 -4.997
31 HA3 GLY 7 2HA GLY 7 3.744 -12.093 -4.596
32 H ILE 8 H ILE 8 1.887 -10.449 -4.466
33 HA ILE 8 HA ILE 8 1.188 -9.157 -7.054
34 HB ILE 8 HB ILE 8 0.051 -8.662 -4.280
35 HG12 ILE 8 1HG1 ILE 8 -0.493 -10.958 -4.840
36 HG13 ILE 8 2HG1 ILE 8 -1.920 -9.958 -4.944
37 HG21 ILE 8 1HG2 ILE 8 -1.886 -7.705 -5.564
38 HG22 ILE 8 2HG2 ILE 8 -0.402 -6.762 -5.664
39 HG23 ILE 8 3HG2 ILE 8 -0.897 -7.784 -7.035
40 HD11 ILE 8 3HD1 ILE 8 -0.297 -10.959 -7.330
41 HD12 ILE 8 1HD1 ILE 8 -1.853 -11.586 -6.769
42 HD13 ILE 8 2HD1 ILE 8 -1.759 -9.948 -7.429
43 H LYS 9 H LYS 9 1.405 -6.878 -7.323
44 HA LYS 9 HA LYS 9 3.197 -5.427 -5.424
45 HB2 LYS 9 1HB LYS 9 3.408 -5.391 -8.459
46 HB3 LYS 9 2HB LYS 9 4.226 -4.260 -7.373
47 HG2 LYS 9 1HG LYS 9 5.382 -6.172 -6.261
48 HG3 LYS 9 2HG LYS 9 4.654 -7.283 -7.427
49 HD2 LYS 9 1HD LYS 9 6.517 -4.969 -8.123
50 HD3 LYS 9 2HD LYS 9 6.993 -6.668 -7.981
51 HE2 LYS 9 1HE LYS 9 5.401 -7.265 -9.805
52 HE3 LYS 9 2HE LYS 9 4.972 -5.558 -9.982
53 HZ1 LYS 9 3HZ LYS 9 7.295 -5.103 -10.568
54 HZ2 LYS 9 1HZ LYS 9 6.668 -6.211 -11.588
55 HZ3 LYS 9 2HZ LYS 9 7.691 -6.682 -10.408
56 H GLN 10 H GLN 10 2.431 -3.580 -4.765
57 HA GLN 10 HA GLN 10 0.348 -2.080 -6.297
58 HB2 GLN 10 1HB GLN 10 0.346 -2.657 -3.302
59 HB3 GLN 10 2HB GLN 10 -0.801 -1.628 -4.153
60 HG2 GLN 10 1HG GLN 10 -0.500 -4.628 -4.573
61 HG3 GLN 10 2HG GLN 10 -1.720 -3.849 -3.590
62 HE21 GLN 10 1HE2 GLN 10 -2.565 -5.553 -5.596
63 HE22 GLN 10 2HE2 GLN 10 -3.311 -4.591 -6.862
64 H HIS 11 H HIS 11 0.243 0.234 -5.730
65 HA HIS 11 HA HIS 11 2.529 1.249 -4.163
66 HB2 HIS 11 1HB HIS 11 3.225 2.853 -5.737
67 HB3 HIS 11 2HB HIS 11 3.198 1.303 -6.563
68 HD1 HIS 11 1HD HIS 11 1.141 4.590 -6.385
69 HD2 HIS 11 2HD HIS 11 1.662 1.126 -8.730
70 HE1 HIS 11 1HE HIS 11 -0.166 4.978 -8.543
71 H CYS 12 H CYS 12 2.347 3.255 -3.249
72 HA CYS 12 HA CYS 12 -0.280 4.165 -2.463
73 HB2 CYS 12 1HB CYS 12 1.736 4.169 -1.033
74 HB3 CYS 12 2HB CYS 12 2.476 5.384 -2.091
75 H ARG 13 H ARG 13 -1.204 6.099 -2.815
76 HA ARG 13 HA ARG 13 -0.938 7.306 -5.530
77 HB2 ARG 13 1HB ARG 13 -3.096 6.473 -4.760
78 HB3 ARG 13 2HB ARG 13 -3.049 7.544 -3.356
79 HG2 ARG 13 1HG ARG 13 -3.178 9.519 -4.763
80 HG3 ARG 13 2HG ARG 13 -3.003 8.551 -6.236
81 HD2 ARG 13 1HD ARG 13 -5.288 8.316 -4.243
82 HD3 ARG 13 2HD ARG 13 -5.354 9.311 -5.695
83 HE ARG 13 HE ARG 13 -5.590 6.396 -5.518
84 HH11 ARG 13 2HH1 ARG 13 -4.960 9.012 -7.770
85 HH12 ARG 13 1HH1 ARG 13 -5.386 8.040 -9.150
86 HH21 ARG 13 2HH2 ARG 13 -6.111 5.221 -7.323
87 HH22 ARG 13 1HH2 ARG 13 -6.020 5.953 -8.897
88 H PHE 14 H PHE 14 -0.213 8.043 -2.214
89 HA PHE 14 HA PHE 14 -0.118 10.974 -2.762
90 HB2 PHE 14 1HB PHE 14 -0.211 9.493 -0.136
91 HB3 PHE 14 2HB PHE 14 -0.456 11.209 -0.387
92 HD1 PHE 14 2HD PHE 14 -2.504 11.908 -1.884
93 HD2 PHE 14 1HD PHE 14 -2.033 7.967 -0.197
94 HE1 PHE 14 2HE PHE 14 -4.934 11.481 -2.187
95 HE2 PHE 14 1HE PHE 14 -4.461 7.549 -0.489
96 HZ PHE 14 HZ PHE 14 -5.914 9.304 -1.488
97 H CYS 15 H CYS 15 1.984 8.362 -1.648
98 HA CYS 15 HA CYS 15 4.288 10.259 -1.687
99 HB2 CYS 15 1HB CYS 15 5.259 9.233 0.230
100 HB3 CYS 15 2HB CYS 15 3.641 9.807 0.620
101 H LYS 16 H LYS 16 3.049 7.706 -3.258
102 HA LYS 16 HA LYS 16 3.749 6.104 -4.673
103 HB2 LYS 16 1HB LYS 16 6.278 7.746 -4.968
104 HB3 LYS 16 2HB LYS 16 5.608 6.619 -6.133
105 HG2 LYS 16 1HG LYS 16 4.439 9.298 -5.291
106 HG3 LYS 16 2HG LYS 16 5.172 8.897 -6.831
107 HD2 LYS 16 1HD LYS 16 2.525 7.855 -5.741
108 HD3 LYS 16 2HD LYS 16 2.735 9.021 -7.031
109 HE2 LYS 16 1HE LYS 16 3.642 6.105 -7.154
110 HE3 LYS 16 2HE LYS 16 2.126 6.724 -7.809
111 HZ1 LYS 16 3HZ LYS 16 3.412 8.159 -9.299
112 HZ2 LYS 16 1HZ LYS 16 3.811 6.597 -9.537
113 HZ3 LYS 16 2HZ LYS 16 4.825 7.577 -8.719
114 H LYS 17 H LYS 17 4.697 5.751 -1.766
115 HA LYS 17 HA LYS 17 6.836 3.822 -1.863
116 HB2 LYS 17 1HB LYS 17 4.444 4.186 -0.010
117 HB3 LYS 17 2HB LYS 17 5.562 2.832 0.160
118 HG2 LYS 17 1HG LYS 17 7.473 4.457 0.341
119 HG3 LYS 17 2HG LYS 17 6.287 5.769 0.332
120 HD2 LYS 17 1HD LYS 17 6.744 5.360 2.629
121 HD3 LYS 17 2HD LYS 17 5.163 4.650 2.297
122 HE2 LYS 17 1HE LYS 17 6.310 3.130 3.709
123 HE3 LYS 17 2HE LYS 17 6.234 2.391 2.116
124 HZ1 LYS 17 3HZ LYS 17 8.604 3.800 3.246
125 HZ2 LYS 17 1HZ LYS 17 8.562 3.099 1.769
126 HZ3 LYS 17 2HZ LYS 17 8.447 2.184 3.115
127 H LYS 18 H LYS 18 6.573 1.534 -1.558
128 HA LYS 18 HA LYS 18 4.508 0.341 -3.382
129 HB2 LYS 18 1HB LYS 18 7.521 0.172 -3.574
130 HB3 LYS 18 2HB LYS 18 6.477 -1.067 -4.287
131 HG2 LYS 18 1HG LYS 18 5.392 0.448 -5.731
132 HG3 LYS 18 2HG LYS 18 5.991 1.875 -4.903
133 HD2 LYS 18 1HD LYS 18 7.832 -0.072 -6.330
134 HD3 LYS 18 2HD LYS 18 7.086 1.298 -7.148
135 HE2 LYS 18 1HE LYS 18 8.817 1.583 -4.649
136 HE3 LYS 18 2HE LYS 18 9.457 1.655 -6.291
137 HZ1 LYS 18 3HZ LYS 18 8.990 3.872 -5.462
138 HZ2 LYS 18 1HZ LYS 18 7.413 3.542 -5.207
139 HZ3 LYS 18 2HZ LYS 18 8.016 3.561 -6.728
140 H TYR 19 H TYR 19 3.769 -1.589 -2.992
141 HA TYR 19 HA TYR 19 4.540 -2.965 -0.453
142 HB2 TYR 19 1HB TYR 19 1.850 -1.863 -1.328
143 HB3 TYR 19 2HB TYR 19 1.994 -3.113 -0.102
144 HD1 TYR 19 1HD TYR 19 2.653 0.470 -0.832
145 HD2 TYR 19 2HD TYR 19 3.011 -2.712 2.055
146 HE1 TYR 19 1HE TYR 19 3.319 2.125 0.925
147 HE2 TYR 19 2HE TYR 19 3.616 -1.073 3.807
148 HH TYR 19 HH TYR 19 4.146 1.111 4.259
149 H SER 20 H SER 20 4.017 -5.116 -0.233
150 HA SER 20 HA SER 20 3.749 -6.677 -2.695
151 HB2 SER 20 1HB SER 20 4.211 -8.581 -1.152
152 HB3 SER 20 2HB SER 20 5.448 -7.312 -1.129
153 HG SER 20 HG SER 20 4.843 -7.996 0.993
154 H ASP 21 H ASP 21 1.515 -5.441 -0.452
155 HA ASP 21 HA ASP 21 -0.631 -7.188 -1.455
156 HB2 ASP 21 1HB ASP 21 0.390 -8.264 0.630
157 HB3 ASP 21 2HB ASP 21 -0.174 -6.864 1.539
158 H VAL 22 H VAL 22 -2.615 -6.162 -1.511
159 HA VAL 22 HA VAL 22 -2.638 -3.297 -1.396
160 HB VAL 22 HB VAL 22 -3.970 -4.788 -2.911
161 HG11 VAL 22 1HG1 VAL 22 -6.151 -5.583 -2.273
162 HG12 VAL 22 2HG1 VAL 22 -4.946 -6.318 -1.205
163 HG13 VAL 22 3HG1 VAL 22 -5.961 -4.977 -0.621
164 HG21 VAL 22 3HG2 VAL 22 -5.850 -3.234 -3.089
165 HG22 VAL 22 1HG2 VAL 22 -5.522 -2.609 -1.460
166 HG23 VAL 22 2HG2 VAL 22 -4.344 -2.360 -2.765
167 H LYS 23 H LYS 23 -3.567 -5.727 0.968
168 HA LYS 23 HA LYS 23 -5.039 -3.888 2.711
169 HB2 LYS 23 1HB LYS 23 -3.785 -6.603 3.278
170 HB3 LYS 23 2HB LYS 23 -4.802 -5.700 4.399
171 HG2 LYS 23 1HG LYS 23 -6.684 -5.736 2.871
172 HG3 LYS 23 2HG LYS 23 -5.755 -6.555 1.620
173 HD2 LYS 23 1HD LYS 23 -5.969 -7.898 4.319
174 HD3 LYS 23 2HD LYS 23 -7.401 -7.829 3.302
175 HE2 LYS 23 1HE LYS 23 -6.314 -9.917 2.885
176 HE3 LYS 23 2HE LYS 23 -6.214 -8.911 1.439
177 HZ1 LYS 23 3HZ LYS 23 -3.905 -8.422 1.977
178 HZ2 LYS 23 1HZ LYS 23 -4.105 -10.026 1.943
179 HZ3 LYS 23 2HZ LYS 23 -3.997 -9.273 3.387
180 H ASN 24 H ASN 24 -1.636 -4.932 2.520
181 HA ASN 24 HA ASN 24 -0.783 -3.476 4.868
182 HB2 ASN 24 1HB ASN 24 0.427 -5.380 3.624
183 HB3 ASN 24 2HB ASN 24 0.920 -4.165 2.439
184 HD21 ASN 24 1HD2 ASN 24 3.005 -5.308 3.410
185 HD22 ASN 24 2HD2 ASN 24 3.743 -4.400 4.720
186 H LEU 25 H LEU 25 -0.958 -2.632 1.385
187 HA LEU 25 HA LEU 25 -0.070 0.068 1.600
188 HB2 LEU 25 1HB LEU 25 -0.227 -0.989 -0.537
189 HB3 LEU 25 2HB LEU 25 -1.925 -1.381 -0.311
190 HG LEU 25 HG LEU 25 -2.556 0.983 -0.448
191 HD11 LEU 25 1HD1 LEU 25 0.393 1.500 -1.094
192 HD12 LEU 25 2HD1 LEU 25 -0.410 1.996 0.407
193 HD13 LEU 25 3HD1 LEU 25 -0.934 2.682 -1.123
194 HD21 LEU 25 3HD2 LEU 25 -2.118 1.302 -2.810
195 HD22 LEU 25 1HD2 LEU 25 -2.438 -0.411 -2.493
196 HD23 LEU 25 2HD2 LEU 25 -0.767 0.155 -2.754
197 H ILE 26 H ILE 26 -3.436 -1.249 1.938
198 HA ILE 26 HA ILE 26 -4.599 1.322 2.427
199 HB ILE 26 HB ILE 26 -5.533 -1.499 2.958
200 HG12 ILE 26 1HG1 ILE 26 -6.605 0.652 1.069
201 HG13 ILE 26 2HG1 ILE 26 -5.293 -0.410 0.596
202 HG21 ILE 26 1HG2 ILE 26 -6.632 -0.141 4.689
203 HG22 ILE 26 2HG2 ILE 26 -7.066 1.093 3.482
204 HG23 ILE 26 3HG2 ILE 26 -7.799 -0.525 3.431
205 HD11 ILE 26 3HD1 ILE 26 -6.732 -2.395 0.967
206 HD12 ILE 26 1HD1 ILE 26 -8.100 -1.310 1.322
207 HD13 ILE 26 2HD1 ILE 26 -7.340 -1.288 -0.280
208 H LYS 27 H LYS 27 -3.278 -1.089 4.737
209 HA LYS 27 HA LYS 27 -3.828 0.415 7.130
210 HB2 LYS 27 1HB LYS 27 -1.643 -1.589 6.407
211 HB3 LYS 27 2HB LYS 27 -1.779 -0.893 8.007
212 HG2 LYS 27 1HG LYS 27 -3.936 -2.560 6.643
213 HG3 LYS 27 2HG LYS 27 -2.776 -3.162 7.812
214 HD2 LYS 27 1HD LYS 27 -4.998 -1.148 8.289
215 HD3 LYS 27 2HD LYS 27 -4.951 -2.803 8.851
216 HE2 LYS 27 1HE LYS 27 -3.037 -0.598 9.752
217 HE3 LYS 27 2HE LYS 27 -4.473 -1.121 10.630
218 HZ1 LYS 27 3HZ LYS 27 -3.485 -3.336 10.835
219 HZ2 LYS 27 1HZ LYS 27 -2.505 -2.215 11.497
220 HZ3 LYS 27 2HZ LYS 27 -2.134 -2.860 10.046
221 H HIS 28 H HIS 28 -1.146 0.679 4.793
222 HA HIS 28 HA HIS 28 0.239 2.776 6.222
223 HB2 HIS 28 1HB HIS 28 1.495 1.653 4.611
224 HB3 HIS 28 2HB HIS 28 0.262 1.765 3.374
225 HD1 HIS 28 1HD HIS 28 2.738 4.141 5.162
226 HD2 HIS 28 2HD HIS 28 0.360 3.781 1.717
227 HE1 HIS 28 1HE HIS 28 3.309 6.143 3.719
228 H ILE 29 H ILE 29 -2.134 2.983 3.483
229 HA ILE 29 HA ILE 29 -2.220 5.789 3.356
230 HB ILE 29 HB ILE 29 -4.350 3.729 2.700
231 HG12 ILE 29 1HG1 ILE 29 -2.618 5.405 0.822
232 HG13 ILE 29 2HG1 ILE 29 -2.122 3.821 1.392
233 HG21 ILE 29 1HG2 ILE 29 -5.487 5.527 1.371
234 HG22 ILE 29 2HG2 ILE 29 -5.528 5.863 3.084
235 HG23 ILE 29 3HG2 ILE 29 -4.362 6.719 2.050
236 HD11 ILE 29 3HD1 ILE 29 -4.180 2.811 0.401
237 HD12 ILE 29 1HD1 ILE 29 -4.586 4.398 -0.298
238 HD13 ILE 29 2HD1 ILE 29 -3.108 3.573 -0.792
239 H ARG 30 H ARG 30 -4.362 3.688 5.349
240 HA ARG 30 HA ARG 30 -5.803 5.935 6.436
241 HB2 ARG 30 1HB ARG 30 -6.991 4.387 7.723
242 HB3 ARG 30 2HB ARG 30 -6.629 3.566 6.196
243 HG2 ARG 30 1HG ARG 30 -4.678 2.455 7.384
244 HG3 ARG 30 2HG ARG 30 -5.289 3.121 8.895
245 HD2 ARG 30 1HD ARG 30 -6.780 1.220 7.039
246 HD3 ARG 30 2HD ARG 30 -6.020 0.807 8.570
247 HE ARG 30 HE ARG 30 -7.647 2.070 9.786
248 HH11 ARG 30 2HH1 ARG 30 -8.557 1.749 6.410
249 HH12 ARG 30 1HH1 ARG 30 -10.226 2.118 6.743
250 HH21 ARG 30 2HH2 ARG 30 -9.781 2.527 10.123
251 HH22 ARG 30 1HH2 ARG 30 -10.892 2.543 8.787
252 H ASP 31 H ASP 31 -2.693 4.927 7.230
253 HA ASP 31 HA ASP 31 -2.821 6.172 9.940
254 HB2 ASP 31 1HB ASP 31 -1.846 3.905 9.733
255 HB3 ASP 31 2HB ASP 31 -0.635 4.526 8.614
256 H ALA 32 H ALA 32 -1.042 6.346 6.841
257 HA ALA 32 HA ALA 32 0.529 8.647 7.737
258 HB1 ALA 32 1HB ALA 32 1.520 6.697 6.583
259 HB2 ALA 32 2HB ALA 32 0.545 7.059 5.139
260 HB3 ALA 32 3HB ALA 32 1.786 8.206 5.685
261 H HIS 33 H HIS 33 -2.280 8.211 5.647
262 HA HIS 33 HA HIS 33 -2.010 11.041 4.667
263 HB2 HIS 33 1HB HIS 33 -3.017 8.654 3.085
264 HB3 HIS 33 2HB HIS 33 -2.796 10.301 2.503
265 HD1 HIS 33 1HD HIS 33 0.113 11.000 3.166
266 HD2 HIS 33 2HD HIS 33 -1.176 7.147 2.104
267 HE1 HIS 33 1HE HIS 33 2.173 9.798 2.296
268 H ASP 34 H ASP 34 -4.323 8.394 5.196
269 HA ASP 34 HA ASP 34 -6.595 8.343 5.375
270 HB2 ASP 34 1HB ASP 34 -5.536 8.445 7.595
271 HB3 ASP 34 2HB ASP 34 -5.815 10.183 7.628
272 HA PRO 35 HA PRO 35 -7.796 12.243 3.127
273 HB2 PRO 35 1HB PRO 35 -9.421 10.146 1.690
274 HB3 PRO 35 2HB PRO 35 -8.576 11.576 1.020
275 HG2 PRO 35 1HG PRO 35 -7.496 9.099 0.768
276 HG3 PRO 35 2HG PRO 35 -6.452 10.494 1.202
277 HD2 PRO 35 1HD PRO 35 -7.659 8.417 3.066
278 HD3 PRO 35 2HD PRO 35 -5.980 9.031 2.982
279 H GLN 36 H GLN 36 -9.537 13.458 3.677
280 HA GLN 36 HA GLN 36 -11.538 12.309 5.516
281 HB2 GLN 36 1HB GLN 36 -10.906 15.195 4.813
282 HB3 GLN 36 2HB GLN 36 -12.011 14.661 6.080
283 HG2 GLN 36 1HG GLN 36 -9.003 14.150 6.028
284 HG3 GLN 36 2HG GLN 36 -9.841 15.346 7.002
285 HE21 GLN 36 1HE2 GLN 36 -8.721 12.077 6.957
286 HE22 GLN 36 2HE2 GLN 36 -9.538 11.577 8.424
287 H ASP 37 H ASP 37 -11.633 12.060 2.445
288 HA ASP 37 HA ASP 37 -14.023 13.511 1.599
289 HB2 ASP 37 1HB ASP 37 -12.171 13.049 0.063
290 HB3 ASP 37 2HB ASP 37 -12.412 11.316 0.255
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 7.388 -17.388 -20.484
2 H2 GLY 1 2H GLY 1 6.368 -16.559 -19.505
3 H3 GLY 1 3H GLY 1 6.295 -18.193 -19.567
4 HA2 GLY 1 1HA GLY 1 8.481 -18.400 -18.591
5 HA3 GLY 1 2HA GLY 1 8.580 -16.630 -18.545
6 H SER 2 H SER 2 8.652 -18.669 -16.340
7 HA SER 2 HA SER 2 6.192 -18.728 -14.907
8 HB2 SER 2 1HB SER 2 7.610 -19.511 -13.021
9 HB3 SER 2 2HB SER 2 7.905 -20.373 -14.539
10 HG SER 2 HG SER 2 9.862 -19.763 -13.485
11 H SER 3 H SER 3 8.552 -16.159 -15.075
12 HA SER 3 HA SER 3 7.931 -14.722 -12.684
13 HB2 SER 3 1HB SER 3 8.744 -12.753 -13.998
14 HB3 SER 3 2HB SER 3 9.846 -14.140 -14.008
15 HG SER 3 HG SER 3 9.557 -13.229 -16.109
16 H GLY 4 H GLY 4 6.116 -15.092 -15.694
17 HA2 GLY 4 1HA GLY 4 4.272 -12.912 -15.379
18 HA3 GLY 4 2HA GLY 4 4.039 -14.374 -16.344
19 H SER 5 H SER 5 4.507 -15.924 -13.635
20 HA SER 5 HA SER 5 1.693 -15.960 -12.778
21 HB2 SER 5 1HB SER 5 4.044 -17.640 -11.848
22 HB3 SER 5 2HB SER 5 2.333 -17.918 -11.482
23 HG SER 5 HG SER 5 3.039 -19.208 -13.237
24 H SER 6 H SER 6 4.282 -14.042 -11.842
25 HA SER 6 HA SER 6 3.965 -14.055 -8.967
26 HB2 SER 6 1HB SER 6 5.983 -13.225 -10.248
27 HB3 SER 6 2HB SER 6 5.028 -11.805 -10.706
28 HG SER 6 HG SER 6 5.871 -12.658 -8.124
29 H GLY 7 H GLY 7 2.883 -12.579 -7.624
30 HA2 GLY 7 1HA GLY 7 0.276 -11.711 -8.484
31 HA3 GLY 7 2HA GLY 7 1.016 -11.399 -6.916
32 H ILE 8 H ILE 8 -0.620 -9.583 -8.473
33 HA ILE 8 HA ILE 8 1.047 -7.618 -9.799
34 HB ILE 8 HB ILE 8 -1.822 -7.401 -8.813
35 HG12 ILE 8 1HG1 ILE 8 -0.698 -8.048 -11.585
36 HG13 ILE 8 2HG1 ILE 8 -1.456 -9.210 -10.499
37 HG21 ILE 8 1HG2 ILE 8 -1.992 -5.468 -10.349
38 HG22 ILE 8 2HG2 ILE 8 -0.758 -5.164 -9.146
39 HG23 ILE 8 3HG2 ILE 8 -0.280 -5.644 -10.788
40 HD11 ILE 8 3HD1 ILE 8 -3.587 -7.886 -10.608
41 HD12 ILE 8 1HD1 ILE 8 -2.836 -6.888 -11.881
42 HD13 ILE 8 2HD1 ILE 8 -3.072 -8.620 -12.140
43 H LYS 9 H LYS 9 2.341 -6.191 -8.884
44 HA LYS 9 HA LYS 9 2.395 -5.759 -6.001
45 HB2 LYS 9 1HB LYS 9 4.006 -4.277 -8.106
46 HB3 LYS 9 2HB LYS 9 4.363 -4.436 -6.390
47 HG2 LYS 9 1HG LYS 9 4.504 -6.599 -8.519
48 HG3 LYS 9 2HG LYS 9 5.846 -5.860 -7.652
49 HD2 LYS 9 1HD LYS 9 5.036 -6.866 -5.523
50 HD3 LYS 9 2HD LYS 9 3.714 -7.654 -6.391
51 HE2 LYS 9 1HE LYS 9 6.693 -8.149 -6.826
52 HE3 LYS 9 2HE LYS 9 5.566 -9.199 -5.963
53 HZ1 LYS 9 3HZ LYS 9 5.562 -8.620 -8.867
54 HZ2 LYS 9 1HZ LYS 9 4.286 -9.320 -8.121
55 HZ3 LYS 9 2HZ LYS 9 5.724 -10.081 -8.146
56 H GLN 10 H GLN 10 2.187 -3.820 -4.880
57 HA GLN 10 HA GLN 10 0.087 -2.014 -6.020
58 HB2 GLN 10 1HB GLN 10 0.534 -2.882 -3.139
59 HB3 GLN 10 2HB GLN 10 -0.797 -1.912 -3.758
60 HG2 GLN 10 1HG GLN 10 -0.264 -4.841 -4.414
61 HG3 GLN 10 2HG GLN 10 -1.490 -4.224 -3.329
62 HE21 GLN 10 1HE2 GLN 10 -1.341 -5.615 -6.249
63 HE22 GLN 10 2HE2 GLN 10 -2.656 -4.744 -7.035
64 H HIS 11 H HIS 11 0.098 0.242 -5.341
65 HA HIS 11 HA HIS 11 2.470 1.151 -3.871
66 HB2 HIS 11 1HB HIS 11 3.232 2.732 -5.446
67 HB3 HIS 11 2HB HIS 11 3.124 1.192 -6.283
68 HD1 HIS 11 1HD HIS 11 1.371 4.633 -6.134
69 HD2 HIS 11 2HD HIS 11 1.408 1.047 -8.352
70 HE1 HIS 11 1HE HIS 11 0.016 5.081 -8.247
71 H CYS 12 H CYS 12 2.395 3.167 -2.951
72 HA CYS 12 HA CYS 12 -0.169 4.209 -2.142
73 HB2 CYS 12 1HB CYS 12 1.818 4.214 -0.732
74 HB3 CYS 12 2HB CYS 12 2.650 5.296 -1.864
75 H ARG 13 H ARG 13 -1.235 5.947 -2.721
76 HA ARG 13 HA ARG 13 -0.861 7.126 -5.412
77 HB2 ARG 13 1HB ARG 13 -3.068 6.382 -4.641
78 HB3 ARG 13 2HB ARG 13 -2.978 7.446 -3.235
79 HG2 ARG 13 1HG ARG 13 -3.061 9.432 -4.677
80 HG3 ARG 13 2HG ARG 13 -3.023 8.404 -6.128
81 HD2 ARG 13 1HD ARG 13 -5.174 7.388 -5.463
82 HD3 ARG 13 2HD ARG 13 -5.183 8.361 -3.977
83 HE ARG 13 HE ARG 13 -4.943 10.076 -6.267
84 HH11 ARG 13 2HH1 ARG 13 -7.387 8.155 -4.648
85 HH12 ARG 13 1HH1 ARG 13 -8.688 9.169 -5.210
86 HH21 ARG 13 1HH2 ARG 13 -6.654 11.316 -6.965
87 HH22 ARG 13 2HH2 ARG 13 -8.276 10.900 -6.501
88 H PHE 14 H PHE 14 -0.213 7.985 -2.102
89 HA PHE 14 HA PHE 14 -0.051 10.884 -2.760
90 HB2 PHE 14 1HB PHE 14 -0.174 9.501 -0.084
91 HB3 PHE 14 2HB PHE 14 -0.383 11.216 -0.393
92 HD1 PHE 14 2HD PHE 14 -2.402 11.909 -1.916
93 HD2 PHE 14 1HD PHE 14 -2.025 8.015 -0.103
94 HE1 PHE 14 2HE PHE 14 -4.829 11.504 -2.271
95 HE2 PHE 14 1HE PHE 14 -4.449 7.616 -0.451
96 HZ PHE 14 HZ PHE 14 -5.852 9.356 -1.546
97 H CYS 15 H CYS 15 2.003 8.276 -1.507
98 HA CYS 15 HA CYS 15 4.326 10.119 -1.751
99 HB2 CYS 15 1HB CYS 15 5.369 9.314 0.186
100 HB3 CYS 15 2HB CYS 15 3.777 9.940 0.593
101 H LYS 16 H LYS 16 3.037 7.556 -3.144
102 HA LYS 16 HA LYS 16 3.710 5.985 -4.634
103 HB2 LYS 16 1HB LYS 16 5.844 8.097 -4.925
104 HB3 LYS 16 2HB LYS 16 5.858 6.661 -5.926
105 HG2 LYS 16 1HG LYS 16 4.799 8.376 -7.140
106 HG3 LYS 16 2HG LYS 16 3.610 7.129 -6.773
107 HD2 LYS 16 1HD LYS 16 2.549 8.546 -5.099
108 HD3 LYS 16 2HD LYS 16 3.860 9.747 -5.224
109 HE2 LYS 16 1HE LYS 16 3.269 10.117 -7.611
110 HE3 LYS 16 2HE LYS 16 1.965 8.932 -7.477
111 HZ1 LYS 16 3HZ LYS 16 2.108 11.463 -5.922
112 HZ2 LYS 16 1HZ LYS 16 0.880 10.370 -5.856
113 HZ3 LYS 16 2HZ LYS 16 1.156 11.215 -7.225
114 H LYS 17 H LYS 17 4.807 5.577 -1.806
115 HA LYS 17 HA LYS 17 6.992 3.718 -2.012
116 HB2 LYS 17 1HB LYS 17 4.666 3.994 -0.060
117 HB3 LYS 17 2HB LYS 17 5.970 2.814 0.148
118 HG2 LYS 17 1HG LYS 17 7.631 4.626 0.217
119 HG3 LYS 17 2HG LYS 17 6.343 5.813 -0.080
120 HD2 LYS 17 1HD LYS 17 5.237 5.079 2.058
121 HD3 LYS 17 2HD LYS 17 6.597 3.993 2.350
122 HE2 LYS 17 1HE LYS 17 6.804 6.075 3.640
123 HE3 LYS 17 2HE LYS 17 8.147 5.885 2.509
124 HZ1 LYS 17 3HZ LYS 17 7.183 7.512 1.080
125 HZ2 LYS 17 1HZ LYS 17 7.088 8.164 2.576
126 HZ3 LYS 17 2HZ LYS 17 5.753 7.523 1.850
127 H LYS 18 H LYS 18 6.951 1.470 -2.009
128 HA LYS 18 HA LYS 18 4.672 0.258 -3.547
129 HB2 LYS 18 1HB LYS 18 7.641 -0.342 -3.740
130 HB3 LYS 18 2HB LYS 18 6.360 -1.257 -4.551
131 HG2 LYS 18 1HG LYS 18 5.623 0.805 -5.733
132 HG3 LYS 18 2HG LYS 18 6.943 1.710 -4.969
133 HD2 LYS 18 1HD LYS 18 8.601 0.207 -6.040
134 HD3 LYS 18 2HD LYS 18 7.278 -0.687 -6.824
135 HE2 LYS 18 1HE LYS 18 6.553 1.394 -7.970
136 HE3 LYS 18 2HE LYS 18 7.856 2.291 -7.181
137 HZ1 LYS 18 3HZ LYS 18 9.455 0.864 -8.350
138 HZ2 LYS 18 1HZ LYS 18 8.484 1.611 -9.427
139 HZ3 LYS 18 2HZ LYS 18 8.250 0.035 -9.080
140 H TYR 19 H TYR 19 3.868 -1.663 -3.095
141 HA TYR 19 HA TYR 19 4.697 -3.081 -0.604
142 HB2 TYR 19 1HB TYR 19 1.905 -2.091 -1.310
143 HB3 TYR 19 2HB TYR 19 2.308 -3.108 0.066
144 HD1 TYR 19 1HD TYR 19 2.552 0.308 -1.352
145 HD2 TYR 19 2HD TYR 19 3.468 -2.209 2.031
146 HE1 TYR 19 1HE TYR 19 3.191 2.321 -0.020
147 HE2 TYR 19 2HE TYR 19 4.080 -0.195 3.361
148 HH TYR 19 HH TYR 19 4.354 2.072 3.353
149 H SER 20 H SER 20 4.300 -5.265 -0.543
150 HA SER 20 HA SER 20 3.615 -6.630 -3.053
151 HB2 SER 20 1HB SER 20 4.360 -7.761 -0.335
152 HB3 SER 20 2HB SER 20 4.261 -8.661 -1.860
153 HG SER 20 HG SER 20 6.415 -8.011 -1.353
154 H ASP 21 H ASP 21 1.700 -5.407 -0.618
155 HA ASP 21 HA ASP 21 -0.557 -7.255 -1.146
156 HB2 ASP 21 1HB ASP 21 0.413 -8.270 0.789
157 HB3 ASP 21 2HB ASP 21 0.751 -6.712 1.532
158 H VAL 22 H VAL 22 -2.490 -6.269 -1.178
159 HA VAL 22 HA VAL 22 -2.601 -3.381 -1.204
160 HB VAL 22 HB VAL 22 -3.866 -4.981 -2.680
161 HG11 VAL 22 1HG1 VAL 22 -5.868 -5.119 -0.395
162 HG12 VAL 22 2HG1 VAL 22 -6.036 -5.793 -2.024
163 HG13 VAL 22 3HG1 VAL 22 -4.823 -6.462 -0.922
164 HG21 VAL 22 3HG2 VAL 22 -4.288 -2.570 -2.653
165 HG22 VAL 22 1HG2 VAL 22 -5.782 -3.478 -2.924
166 HG23 VAL 22 2HG2 VAL 22 -5.455 -2.768 -1.328
167 H LYS 23 H LYS 23 -3.449 -5.814 1.218
168 HA LYS 23 HA LYS 23 -5.001 -3.986 2.886
169 HB2 LYS 23 1HB LYS 23 -3.650 -6.596 3.641
170 HB3 LYS 23 2HB LYS 23 -4.798 -5.698 4.630
171 HG2 LYS 23 1HG LYS 23 -6.546 -5.964 2.915
172 HG3 LYS 23 2HG LYS 23 -5.431 -6.852 1.869
173 HD2 LYS 23 1HD LYS 23 -6.279 -7.747 4.654
174 HD3 LYS 23 2HD LYS 23 -6.994 -8.314 3.135
175 HE2 LYS 23 1HE LYS 23 -4.759 -9.155 2.404
176 HE3 LYS 23 2HE LYS 23 -4.068 -8.648 3.947
177 HZ1 LYS 23 3HZ LYS 23 -5.588 -10.196 5.064
178 HZ2 LYS 23 1HZ LYS 23 -4.665 -10.997 3.984
179 HZ3 LYS 23 2HZ LYS 23 -6.224 -10.670 3.635
180 H ASN 24 H ASN 24 -1.568 -5.058 3.008
181 HA ASN 24 HA ASN 24 -0.772 -3.282 5.111
182 HB2 ASN 24 1HB ASN 24 0.662 -4.687 2.845
183 HB3 ASN 24 2HB ASN 24 1.504 -3.447 3.765
184 HD21 ASN 24 1HD2 ASN 24 -0.257 -6.554 4.184
185 HD22 ASN 24 2HD2 ASN 24 0.601 -6.956 5.677
186 H LEU 25 H LEU 25 -1.001 -2.655 1.566
187 HA LEU 25 HA LEU 25 -0.115 0.057 1.681
188 HB2 LEU 25 1HB LEU 25 -0.251 -1.055 -0.424
189 HB3 LEU 25 2HB LEU 25 -1.944 -1.467 -0.189
190 HG LEU 25 HG LEU 25 -2.611 0.888 -0.390
191 HD11 LEU 25 1HD1 LEU 25 0.333 1.414 -1.035
192 HD12 LEU 25 2HD1 LEU 25 -0.506 1.988 0.418
193 HD13 LEU 25 3HD1 LEU 25 -1.008 2.568 -1.165
194 HD21 LEU 25 3HD2 LEU 25 -0.821 0.041 -2.683
195 HD22 LEU 25 1HD2 LEU 25 -2.212 1.139 -2.756
196 HD23 LEU 25 2HD2 LEU 25 -2.470 -0.576 -2.394
197 H ILE 26 H ILE 26 -3.485 -1.253 2.020
198 HA ILE 26 HA ILE 26 -4.667 1.327 2.400
199 HB ILE 26 HB ILE 26 -5.585 -1.476 3.058
200 HG12 ILE 26 1HG1 ILE 26 -6.629 0.555 1.022
201 HG13 ILE 26 2HG1 ILE 26 -5.309 -0.537 0.638
202 HG21 ILE 26 1HG2 ILE 26 -7.864 -0.487 3.430
203 HG22 ILE 26 2HG2 ILE 26 -6.723 -0.022 4.682
204 HG23 ILE 26 3HG2 ILE 26 -7.140 1.135 3.395
205 HD11 ILE 26 3HD1 ILE 26 -8.131 -1.387 1.375
206 HD12 ILE 26 1HD1 ILE 26 -7.345 -1.469 -0.212
207 HD13 ILE 26 2HD1 ILE 26 -6.758 -2.494 1.112
208 H LYS 27 H LYS 27 -3.341 -0.991 4.782
209 HA LYS 27 HA LYS 27 -3.913 0.559 7.140
210 HB2 LYS 27 1HB LYS 27 -1.757 -1.481 6.448
211 HB3 LYS 27 2HB LYS 27 -1.863 -0.760 8.040
212 HG2 LYS 27 1HG LYS 27 -4.196 -2.245 6.758
213 HG3 LYS 27 2HG LYS 27 -2.955 -3.059 7.702
214 HD2 LYS 27 1HD LYS 27 -4.744 -0.835 8.773
215 HD3 LYS 27 2HD LYS 27 -5.034 -2.566 8.972
216 HE2 LYS 27 1HE LYS 27 -2.830 -2.788 10.134
217 HE3 LYS 27 2HE LYS 27 -2.604 -1.039 10.013
218 HZ1 LYS 27 3HZ LYS 27 -4.618 -0.753 11.361
219 HZ2 LYS 27 1HZ LYS 27 -3.533 -1.668 12.164
220 HZ3 LYS 27 2HZ LYS 27 -4.828 -2.371 11.468
221 H HIS 28 H HIS 28 -1.152 0.734 4.859
222 HA HIS 28 HA HIS 28 0.212 2.853 6.260
223 HB2 HIS 28 1HB HIS 28 1.468 1.685 4.643
224 HB3 HIS 28 2HB HIS 28 0.247 1.868 3.397
225 HD1 HIS 28 1HD HIS 28 2.665 4.194 5.350
226 HD2 HIS 28 2HD HIS 28 0.479 3.883 1.772
227 HE1 HIS 28 1HE HIS 28 3.296 6.228 3.980
228 H ILE 29 H ILE 29 -2.151 3.006 3.518
229 HA ILE 29 HA ILE 29 -2.233 5.807 3.318
230 HB ILE 29 HB ILE 29 -4.348 3.727 2.692
231 HG12 ILE 29 1HG1 ILE 29 -2.595 5.402 0.828
232 HG13 ILE 29 2HG1 ILE 29 -2.133 3.805 1.392
233 HG21 ILE 29 1HG2 ILE 29 -5.549 5.848 3.058
234 HG22 ILE 29 2HG2 ILE 29 -4.392 6.709 2.015
235 HG23 ILE 29 3HG2 ILE 29 -5.505 5.498 1.349
236 HD11 ILE 29 3HD1 ILE 29 -4.209 2.847 0.369
237 HD12 ILE 29 1HD1 ILE 29 -4.554 4.448 -0.336
238 HD13 ILE 29 2HD1 ILE 29 -3.093 3.580 -0.802
239 H ARG 30 H ARG 30 -4.429 3.771 5.323
240 HA ARG 30 HA ARG 30 -5.826 6.071 6.368
241 HB2 ARG 30 1HB ARG 30 -7.064 4.548 7.659
242 HB3 ARG 30 2HB ARG 30 -6.698 3.719 6.137
243 HG2 ARG 30 1HG ARG 30 -4.767 2.591 7.359
244 HG3 ARG 30 2HG ARG 30 -5.427 3.240 8.858
245 HD2 ARG 30 1HD ARG 30 -6.872 1.388 6.914
246 HD3 ARG 30 2HD ARG 30 -6.157 0.921 8.448
247 HE ARG 30 HE ARG 30 -7.806 2.175 9.658
248 HH11 ARG 30 2HH1 ARG 30 -8.629 1.929 6.252
249 HH12 ARG 30 1HH1 ARG 30 -10.303 2.304 6.550
250 HH21 ARG 30 2HH2 ARG 30 -9.945 2.643 9.947
251 HH22 ARG 30 1HH2 ARG 30 -11.019 2.695 8.582
252 H ASP 31 H ASP 31 -2.767 4.913 7.264
253 HA ASP 31 HA ASP 31 -2.886 6.216 9.936
254 HB2 ASP 31 1HB ASP 31 -1.869 3.973 9.716
255 HB3 ASP 31 2HB ASP 31 -0.679 4.618 8.588
256 H ALA 32 H ALA 32 -1.121 6.442 6.830
257 HA ALA 32 HA ALA 32 0.394 8.777 7.749
258 HB1 ALA 32 1HB ALA 32 1.460 6.862 6.619
259 HB2 ALA 32 2HB ALA 32 0.492 7.182 5.160
260 HB3 ALA 32 3HB ALA 32 1.690 8.371 5.712
261 H HIS 33 H HIS 33 -2.354 8.273 5.590
262 HA HIS 33 HA HIS 33 -2.139 11.113 4.626
263 HB2 HIS 33 1HB HIS 33 -2.997 8.707 2.990
264 HB3 HIS 33 2HB HIS 33 -2.782 10.358 2.425
265 HD1 HIS 33 1HD HIS 33 0.044 11.177 3.000
266 HD2 HIS 33 2HD HIS 33 -1.049 7.184 2.300
267 HE1 HIS 33 1HE HIS 33 2.170 9.996 2.252
268 H ASP 34 H ASP 34 -4.368 8.392 5.150
269 HA ASP 34 HA ASP 34 -6.622 8.227 5.306
270 HB2 ASP 34 1HB ASP 34 -5.754 8.676 7.534
271 HB3 ASP 34 2HB ASP 34 -6.049 10.395 7.328
272 HA PRO 35 HA PRO 35 -7.685 11.862 2.569
273 HB2 PRO 35 1HB PRO 35 -8.480 10.529 0.326
274 HB3 PRO 35 2HB PRO 35 -6.758 10.824 0.717
275 HG2 PRO 35 1HG PRO 35 -8.388 8.324 1.310
276 HG3 PRO 35 2HG PRO 35 -6.802 8.425 0.487
277 HD2 PRO 35 1HD PRO 35 -6.974 7.883 3.128
278 HD3 PRO 35 2HD PRO 35 -5.682 8.957 2.503
279 H GLN 36 H GLN 36 -9.691 12.693 1.972
280 HA GLN 36 HA GLN 36 -11.950 11.688 3.463
281 HB2 GLN 36 1HB GLN 36 -12.990 13.729 2.978
282 HB3 GLN 36 2HB GLN 36 -11.308 14.097 3.290
283 HG2 GLN 36 1HG GLN 36 -12.581 13.914 0.509
284 HG3 GLN 36 2HG GLN 36 -12.387 15.392 1.424
285 HE21 GLN 36 1HE2 GLN 36 -11.345 15.346 -1.102
286 HE22 GLN 36 2HE2 GLN 36 -9.590 15.296 -0.996
287 H ASP 37 H ASP 37 -10.925 10.812 0.410
288 HA ASP 37 HA ASP 37 -13.570 9.768 -0.413
289 HB2 ASP 37 1HB ASP 37 -13.412 11.979 -1.481
290 HB3 ASP 37 2HB ASP 37 -11.844 11.563 -2.162
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 13.581 -12.324 3.030
2 H2 GLY 1 2H GLY 1 14.343 -13.772 3.026
3 H3 GLY 1 3H GLY 1 13.223 -13.440 4.175
4 HA2 GLY 1 1HA GLY 1 12.284 -14.929 2.545
5 HA3 GLY 1 2HA GLY 1 11.468 -13.355 2.532
6 H SER 2 H SER 2 10.820 -14.044 0.346
7 HA SER 2 HA SER 2 12.693 -13.079 -1.727
8 HB2 SER 2 1HB SER 2 12.333 -15.043 -3.149
9 HB3 SER 2 2HB SER 2 13.133 -15.488 -1.636
10 HG SER 2 HG SER 2 11.434 -16.936 -2.163
11 H SER 3 H SER 3 11.618 -12.841 -3.853
12 HA SER 3 HA SER 3 9.063 -11.495 -3.575
13 HB2 SER 3 1HB SER 3 10.781 -11.974 -6.034
14 HB3 SER 3 2HB SER 3 9.407 -10.855 -5.910
15 HG SER 3 HG SER 3 11.427 -9.799 -5.587
16 H GLY 4 H GLY 4 8.102 -13.665 -2.850
17 HA2 GLY 4 1HA GLY 4 7.367 -15.693 -4.732
18 HA3 GLY 4 2HA GLY 4 6.584 -15.377 -3.186
19 H SER 5 H SER 5 5.095 -16.277 -5.287
20 HA SER 5 HA SER 5 3.972 -14.234 -6.962
21 HB2 SER 5 1HB SER 5 2.346 -16.012 -7.571
22 HB3 SER 5 2HB SER 5 4.038 -16.527 -7.677
23 HG SER 5 HG SER 5 2.712 -18.088 -6.618
24 H SER 6 H SER 6 3.065 -15.339 -3.753
25 HA SER 6 HA SER 6 0.332 -14.504 -3.799
26 HB2 SER 6 1HB SER 6 1.376 -16.152 -2.222
27 HB3 SER 6 2HB SER 6 2.107 -14.786 -1.355
28 HG SER 6 HG SER 6 0.067 -15.468 -0.474
29 H GLY 7 H GLY 7 -0.701 -12.811 -2.640
30 HA2 GLY 7 1HA GLY 7 -1.047 -10.658 -1.895
31 HA3 GLY 7 2HA GLY 7 0.687 -10.369 -1.830
32 H ILE 8 H ILE 8 -1.584 -8.747 -2.847
33 HA ILE 8 HA ILE 8 -1.133 -8.521 -5.768
34 HB ILE 8 HB ILE 8 -2.998 -6.939 -3.960
35 HG12 ILE 8 1HG1 ILE 8 -3.587 -9.358 -5.733
36 HG13 ILE 8 2HG1 ILE 8 -3.565 -9.362 -3.969
37 HG21 ILE 8 1HG2 ILE 8 -2.957 -7.240 -7.004
38 HG22 ILE 8 2HG2 ILE 8 -4.073 -6.237 -6.054
39 HG23 ILE 8 3HG2 ILE 8 -2.372 -5.812 -6.129
40 HD11 ILE 8 3HD1 ILE 8 -5.568 -7.908 -5.725
41 HD12 ILE 8 1HD1 ILE 8 -5.843 -9.283 -4.649
42 HD13 ILE 8 2HD1 ILE 8 -5.439 -7.700 -3.958
43 H LYS 9 H LYS 9 0.786 -7.570 -6.248
44 HA LYS 9 HA LYS 9 2.124 -5.645 -4.589
45 HB2 LYS 9 1HB LYS 9 2.554 -6.496 -7.478
46 HB3 LYS 9 2HB LYS 9 3.530 -5.261 -6.697
47 HG2 LYS 9 1HG LYS 9 4.704 -7.345 -6.634
48 HG3 LYS 9 2HG LYS 9 4.299 -6.846 -4.991
49 HD2 LYS 9 1HD LYS 9 2.559 -8.513 -4.826
50 HD3 LYS 9 2HD LYS 9 2.663 -8.875 -6.568
51 HE2 LYS 9 1HE LYS 9 4.988 -9.692 -6.227
52 HE3 LYS 9 2HE LYS 9 4.839 -9.378 -4.491
53 HZ1 LYS 9 3HZ LYS 9 3.059 -11.015 -4.385
54 HZ2 LYS 9 1HZ LYS 9 4.357 -11.708 -5.087
55 HZ3 LYS 9 2HZ LYS 9 3.078 -11.237 -6.003
56 H GLN 10 H GLN 10 1.950 -3.557 -4.377
57 HA GLN 10 HA GLN 10 0.440 -1.873 -6.323
58 HB2 GLN 10 1HB GLN 10 -0.222 -2.462 -3.407
59 HB3 GLN 10 2HB GLN 10 -0.751 -0.983 -4.186
60 HG2 GLN 10 1HG GLN 10 -1.475 -3.762 -5.177
61 HG3 GLN 10 2HG GLN 10 -2.483 -2.754 -4.154
62 HE21 GLN 10 1HE2 GLN 10 -3.702 -3.540 -6.408
63 HE22 GLN 10 2HE2 GLN 10 -3.754 -2.223 -7.570
64 H HIS 11 H HIS 11 0.492 0.452 -5.784
65 HA HIS 11 HA HIS 11 2.664 1.262 -3.963
66 HB2 HIS 11 1HB HIS 11 3.644 2.834 -5.414
67 HB3 HIS 11 2HB HIS 11 3.597 1.306 -6.280
68 HD1 HIS 11 1HD HIS 11 1.730 4.727 -6.238
69 HD2 HIS 11 2HD HIS 11 2.342 1.296 -8.615
70 HE1 HIS 11 1HE HIS 11 0.745 5.254 -8.524
71 H CYS 12 H CYS 12 2.475 3.269 -3.011
72 HA CYS 12 HA CYS 12 -0.139 4.199 -2.403
73 HB2 CYS 12 1HB CYS 12 1.764 4.262 -0.891
74 HB3 CYS 12 2HB CYS 12 2.610 5.401 -1.945
75 H ARG 13 H ARG 13 -1.215 5.987 -2.866
76 HA ARG 13 HA ARG 13 -0.915 7.189 -5.555
77 HB2 ARG 13 1HB ARG 13 -3.080 6.346 -4.754
78 HB3 ARG 13 2HB ARG 13 -3.023 7.426 -3.357
79 HG2 ARG 13 1HG ARG 13 -3.227 9.391 -4.796
80 HG3 ARG 13 2HG ARG 13 -3.104 8.377 -6.248
81 HD2 ARG 13 1HD ARG 13 -5.222 7.224 -5.585
82 HD3 ARG 13 2HD ARG 13 -5.299 8.222 -4.135
83 HE ARG 13 HE ARG 13 -6.002 10.057 -5.376
84 HH11 ARG 13 2HH1 ARG 13 -5.117 7.547 -7.662
85 HH12 ARG 13 1HH1 ARG 13 -5.840 8.395 -9.003
86 HH21 ARG 13 2HH2 ARG 13 -6.898 11.074 -7.127
87 HH22 ARG 13 1HH2 ARG 13 -6.818 10.337 -8.700
88 H PHE 14 H PHE 14 -0.196 8.021 -2.278
89 HA PHE 14 HA PHE 14 -0.114 10.943 -2.886
90 HB2 PHE 14 1HB PHE 14 -0.249 9.504 -0.237
91 HB3 PHE 14 2HB PHE 14 -0.455 11.225 -0.507
92 HD1 PHE 14 2HD PHE 14 -2.460 11.932 -2.075
93 HD2 PHE 14 1HD PHE 14 -2.110 8.044 -0.236
94 HE1 PHE 14 2HE PHE 14 -4.888 11.539 -2.430
95 HE2 PHE 14 1HE PHE 14 -4.536 7.662 -0.583
96 HZ PHE 14 HZ PHE 14 -5.928 9.404 -1.690
97 H CYS 15 H CYS 15 1.974 8.342 -1.710
98 HA CYS 15 HA CYS 15 4.275 10.220 -1.884
99 HB2 CYS 15 1HB CYS 15 5.307 9.357 0.070
100 HB3 CYS 15 2HB CYS 15 3.711 9.989 0.462
101 H LYS 16 H LYS 16 3.019 7.589 -3.269
102 HA LYS 16 HA LYS 16 3.709 5.946 -4.651
103 HB2 LYS 16 1HB LYS 16 6.121 7.737 -5.033
104 HB3 LYS 16 2HB LYS 16 5.599 6.444 -6.118
105 HG2 LYS 16 1HG LYS 16 3.428 7.606 -6.474
106 HG3 LYS 16 2HG LYS 16 3.987 8.946 -5.452
107 HD2 LYS 16 1HD LYS 16 5.886 9.339 -7.000
108 HD3 LYS 16 2HD LYS 16 5.314 8.011 -8.036
109 HE2 LYS 16 1HE LYS 16 3.160 9.204 -8.371
110 HE3 LYS 16 2HE LYS 16 3.723 10.523 -7.337
111 HZ1 LYS 16 3HZ LYS 16 4.053 11.040 -9.686
112 HZ2 LYS 16 1HZ LYS 16 4.985 9.719 -9.907
113 HZ3 LYS 16 2HZ LYS 16 5.505 10.939 -8.950
114 H LYS 17 H LYS 17 4.821 5.736 -1.755
115 HA LYS 17 HA LYS 17 6.960 3.829 -1.845
116 HB2 LYS 17 1HB LYS 17 4.654 4.316 0.087
117 HB3 LYS 17 2HB LYS 17 5.842 3.031 0.339
118 HG2 LYS 17 1HG LYS 17 7.671 4.711 0.266
119 HG3 LYS 17 2HG LYS 17 6.461 5.992 0.063
120 HD2 LYS 17 1HD LYS 17 5.454 5.339 2.264
121 HD3 LYS 17 2HD LYS 17 6.732 4.118 2.454
122 HE2 LYS 17 1HE LYS 17 8.449 5.931 2.272
123 HE3 LYS 17 2HE LYS 17 7.153 7.128 2.140
124 HZ1 LYS 17 3HZ LYS 17 7.606 5.366 4.493
125 HZ2 LYS 17 1HZ LYS 17 6.421 6.488 4.373
126 HZ3 LYS 17 2HZ LYS 17 7.984 6.951 4.419
127 H LYS 18 H LYS 18 6.978 1.638 -1.895
128 HA LYS 18 HA LYS 18 4.709 0.353 -3.371
129 HB2 LYS 18 1HB LYS 18 7.657 -0.372 -3.288
130 HB3 LYS 18 2HB LYS 18 6.403 -1.281 -4.145
131 HG2 LYS 18 1HG LYS 18 5.870 0.722 -5.516
132 HG3 LYS 18 2HG LYS 18 7.155 1.627 -4.694
133 HD2 LYS 18 1HD LYS 18 8.834 -0.006 -5.516
134 HD3 LYS 18 2HD LYS 18 7.547 -0.900 -6.357
135 HE2 LYS 18 1HE LYS 18 7.016 1.126 -7.693
136 HE3 LYS 18 2HE LYS 18 8.286 2.023 -6.850
137 HZ1 LYS 18 3HZ LYS 18 9.913 0.460 -7.777
138 HZ2 LYS 18 1HZ LYS 18 9.074 1.169 -8.982
139 HZ3 LYS 18 2HZ LYS 18 8.741 -0.370 -8.557
140 H TYR 19 H TYR 19 3.749 -1.478 -2.789
141 HA TYR 19 HA TYR 19 4.495 -2.789 -0.212
142 HB2 TYR 19 1HB TYR 19 1.773 -1.732 -1.054
143 HB3 TYR 19 2HB TYR 19 2.035 -2.807 0.314
144 HD1 TYR 19 2HD TYR 19 3.303 -2.080 2.307
145 HD2 TYR 19 1HD TYR 19 2.452 0.647 -0.930
146 HE1 TYR 19 2HE TYR 19 4.091 -0.185 3.701
147 HE2 TYR 19 1HE TYR 19 3.264 2.547 0.471
148 HH TYR 19 HH TYR 19 4.583 2.047 3.763
149 H SER 20 H SER 20 4.261 -4.945 -0.106
150 HA SER 20 HA SER 20 3.989 -6.450 -2.524
151 HB2 SER 20 1HB SER 20 4.032 -7.454 0.344
152 HB3 SER 20 2HB SER 20 4.391 -8.393 -1.118
153 HG SER 20 HG SER 20 6.301 -7.634 -0.077
154 H ASP 21 H ASP 21 1.550 -5.418 -0.318
155 HA ASP 21 HA ASP 21 -0.433 -6.910 -1.858
156 HB2 ASP 21 1HB ASP 21 0.029 -8.373 0.114
157 HB3 ASP 21 2HB ASP 21 -0.518 -7.058 1.164
158 H VAL 22 H VAL 22 -2.493 -5.960 -1.894
159 HA VAL 22 HA VAL 22 -2.641 -3.142 -1.616
160 HB VAL 22 HB VAL 22 -3.962 -4.579 -3.151
161 HG11 VAL 22 1HG1 VAL 22 -6.062 -5.563 -2.501
162 HG12 VAL 22 2HG1 VAL 22 -4.767 -6.298 -1.546
163 HG13 VAL 22 3HG1 VAL 22 -5.839 -5.080 -0.813
164 HG21 VAL 22 3HG2 VAL 22 -5.941 -3.146 -3.156
165 HG22 VAL 22 1HG2 VAL 22 -5.621 -2.643 -1.484
166 HG23 VAL 22 2HG2 VAL 22 -4.499 -2.188 -2.778
167 H LYS 23 H LYS 23 -3.586 -5.690 0.695
168 HA LYS 23 HA LYS 23 -4.912 -3.841 2.528
169 HB2 LYS 23 1HB LYS 23 -3.663 -6.557 3.107
170 HB3 LYS 23 2HB LYS 23 -4.736 -5.664 4.176
171 HG2 LYS 23 1HG LYS 23 -5.504 -6.788 1.445
172 HG3 LYS 23 2HG LYS 23 -5.892 -7.484 3.016
173 HD2 LYS 23 1HD LYS 23 -7.229 -5.429 3.573
174 HD3 LYS 23 2HD LYS 23 -6.850 -4.783 1.971
175 HE2 LYS 23 1HE LYS 23 -9.031 -5.702 1.825
176 HE3 LYS 23 2HE LYS 23 -7.948 -6.756 0.913
177 HZ1 LYS 23 3HZ LYS 23 -9.484 -8.015 2.326
178 HZ2 LYS 23 1HZ LYS 23 -8.927 -7.290 3.675
179 HZ3 LYS 23 2HZ LYS 23 -7.954 -8.288 2.815
180 H ASN 24 H ASN 24 -1.525 -4.869 2.170
181 HA ASN 24 HA ASN 24 -0.632 -3.443 4.550
182 HB2 ASN 24 1HB ASN 24 0.866 -4.445 2.092
183 HB3 ASN 24 2HB ASN 24 1.633 -3.671 3.476
184 HD21 ASN 24 1HD2 ASN 24 2.581 -6.100 2.937
185 HD22 ASN 24 2HD2 ASN 24 1.959 -7.270 4.089
186 H LEU 25 H LEU 25 -0.981 -2.522 1.096
187 HA LEU 25 HA LEU 25 -0.063 0.176 1.429
188 HB2 LEU 25 1HB LEU 25 -0.298 -0.689 -0.788
189 HB3 LEU 25 2HB LEU 25 -1.979 -1.136 -0.526
190 HG LEU 25 HG LEU 25 -2.652 1.215 -0.402
191 HD11 LEU 25 1HD1 LEU 25 -1.095 3.019 -0.948
192 HD12 LEU 25 2HD1 LEU 25 0.250 1.870 -1.140
193 HD13 LEU 25 3HD1 LEU 25 -0.458 2.175 0.451
194 HD21 LEU 25 3HD2 LEU 25 -0.959 0.728 -2.862
195 HD22 LEU 25 1HD2 LEU 25 -2.358 1.801 -2.719
196 HD23 LEU 25 2HD2 LEU 25 -2.587 0.048 -2.595
197 H ILE 26 H ILE 26 -3.403 -1.201 1.787
198 HA ILE 26 HA ILE 26 -4.589 1.312 2.429
199 HB ILE 26 HB ILE 26 -5.434 -1.545 2.914
200 HG12 ILE 26 1HG1 ILE 26 -6.634 0.626 1.126
201 HG13 ILE 26 2HG1 ILE 26 -5.300 -0.374 0.577
202 HG21 ILE 26 1HG2 ILE 26 -6.504 -0.263 4.721
203 HG22 ILE 26 2HG2 ILE 26 -7.015 0.989 3.567
204 HG23 ILE 26 3HG2 ILE 26 -7.706 -0.647 3.494
205 HD11 ILE 26 3HD1 ILE 26 -7.348 -1.288 -0.257
206 HD12 ILE 26 1HD1 ILE 26 -6.643 -2.418 0.915
207 HD13 ILE 26 2HD1 ILE 26 -8.042 -1.409 1.372
208 H LYS 27 H LYS 27 -3.111 -1.128 4.588
209 HA LYS 27 HA LYS 27 -3.593 0.235 7.075
210 HB2 LYS 27 1HB LYS 27 -1.418 -1.677 6.141
211 HB3 LYS 27 2HB LYS 27 -1.504 -1.071 7.796
212 HG2 LYS 27 1HG LYS 27 -3.642 -2.096 8.188
213 HG3 LYS 27 2HG LYS 27 -3.833 -2.535 6.487
214 HD2 LYS 27 1HD LYS 27 -1.824 -4.011 6.650
215 HD3 LYS 27 2HD LYS 27 -1.688 -3.608 8.374
216 HE2 LYS 27 1HE LYS 27 -3.956 -4.547 8.763
217 HE3 LYS 27 2HE LYS 27 -4.098 -4.927 7.042
218 HZ1 LYS 27 3HZ LYS 27 -2.070 -6.085 8.883
219 HZ2 LYS 27 1HZ LYS 27 -2.181 -6.427 7.288
220 HZ3 LYS 27 2HZ LYS 27 -3.379 -6.869 8.308
221 H HIS 28 H HIS 28 -1.058 0.723 4.620
222 HA HIS 28 HA HIS 28 0.343 2.771 6.133
223 HB2 HIS 28 1HB HIS 28 1.596 1.735 4.447
224 HB3 HIS 28 2HB HIS 28 0.338 1.893 3.239
225 HD1 HIS 28 1HD HIS 28 2.683 4.290 5.189
226 HD2 HIS 28 2HD HIS 28 0.448 3.937 1.648
227 HE1 HIS 28 1HE HIS 28 3.208 6.364 3.832
228 H ILE 29 H ILE 29 -2.110 2.987 3.474
229 HA ILE 29 HA ILE 29 -2.283 5.793 3.403
230 HB ILE 29 HB ILE 29 -4.386 3.691 2.790
231 HG12 ILE 29 1HG1 ILE 29 -2.725 5.439 0.909
232 HG13 ILE 29 2HG1 ILE 29 -2.246 3.819 1.389
233 HG21 ILE 29 1HG2 ILE 29 -4.489 6.684 2.169
234 HG22 ILE 29 2HG2 ILE 29 -5.637 5.472 1.569
235 HG23 ILE 29 3HG2 ILE 29 -5.576 5.814 3.278
236 HD11 ILE 29 3HD1 ILE 29 -4.744 4.533 -0.200
237 HD12 ILE 29 1HD1 ILE 29 -3.308 3.694 -0.774
238 HD13 ILE 29 2HD1 ILE 29 -4.364 2.905 0.416
239 H ARG 30 H ARG 30 -4.320 3.590 5.398
240 HA ARG 30 HA ARG 30 -5.808 5.733 6.591
241 HB2 ARG 30 1HB ARG 30 -6.820 4.076 7.940
242 HB3 ARG 30 2HB ARG 30 -6.514 3.334 6.365
243 HG2 ARG 30 1HG ARG 30 -4.402 2.328 7.382
244 HG3 ARG 30 2HG ARG 30 -4.973 2.873 8.953
245 HD2 ARG 30 1HD ARG 30 -6.485 1.014 7.076
246 HD3 ARG 30 2HD ARG 30 -5.533 0.500 8.480
247 HE ARG 30 HE ARG 30 -7.363 2.369 9.473
248 HH11 ARG 30 2HH1 ARG 30 -7.624 -0.779 7.955
249 HH12 ARG 30 1HH1 ARG 30 -9.132 -1.136 8.752
250 HH21 ARG 30 2HH2 ARG 30 -9.290 1.852 10.446
251 HH22 ARG 30 1HH2 ARG 30 -10.041 0.317 10.127
252 H ASP 31 H ASP 31 -2.618 4.852 7.278
253 HA ASP 31 HA ASP 31 -2.695 6.101 9.988
254 HB2 ASP 31 1HB ASP 31 -1.639 3.875 9.736
255 HB3 ASP 31 2HB ASP 31 -0.496 4.547 8.577
256 H ALA 32 H ALA 32 -1.048 6.356 6.821
257 HA ALA 32 HA ALA 32 0.463 8.714 7.684
258 HB1 ALA 32 1HB ALA 32 0.480 7.121 5.092
259 HB2 ALA 32 2HB ALA 32 1.682 8.328 5.595
260 HB3 ALA 32 3HB ALA 32 1.512 6.817 6.510
261 H HIS 33 H HIS 33 -2.358 8.181 5.628
262 HA HIS 33 HA HIS 33 -2.220 11.030 4.677
263 HB2 HIS 33 1HB HIS 33 -3.069 8.616 3.045
264 HB3 HIS 33 2HB HIS 33 -2.944 10.281 2.489
265 HD1 HIS 33 1HD HIS 33 -0.128 11.203 2.931
266 HD2 HIS 33 2HD HIS 33 -1.106 7.178 2.242
267 HE1 HIS 33 1HE HIS 33 1.998 10.114 2.051
268 H ASP 34 H ASP 34 -4.359 8.263 5.255
269 HA ASP 34 HA ASP 34 -6.613 8.021 5.324
270 HB2 ASP 34 1HB ASP 34 -5.737 8.338 7.585
271 HB3 ASP 34 2HB ASP 34 -6.118 10.054 7.485
272 HA PRO 35 HA PRO 35 -7.888 11.641 2.681
273 HB2 PRO 35 1HB PRO 35 -9.180 9.314 1.254
274 HB3 PRO 35 2HB PRO 35 -8.395 10.769 0.561
275 HG2 PRO 35 1HG PRO 35 -7.081 8.400 0.613
276 HG3 PRO 35 2HG PRO 35 -6.220 9.914 1.050
277 HD2 PRO 35 1HD PRO 35 -7.405 7.839 2.925
278 HD3 PRO 35 2HD PRO 35 -5.813 8.645 2.961
279 H GLN 36 H GLN 36 -9.882 12.665 2.517
280 HA GLN 36 HA GLN 36 -11.973 11.796 4.362
281 HB2 GLN 36 1HB GLN 36 -12.925 13.978 4.034
282 HB3 GLN 36 2HB GLN 36 -11.194 14.108 4.326
283 HG2 GLN 36 1HG GLN 36 -10.804 14.464 1.888
284 HG3 GLN 36 2HG GLN 36 -12.536 14.291 1.583
285 HE21 GLN 36 1HE2 GLN 36 -10.115 16.359 3.293
286 HE22 GLN 36 2HE2 GLN 36 -11.142 17.785 3.270
287 H ASP 37 H ASP 37 -11.461 10.994 1.208
288 HA ASP 37 HA ASP 37 -12.648 10.335 -0.605
289 HB2 ASP 37 1HB ASP 37 -12.928 8.481 0.940
290 HB3 ASP 37 2HB ASP 37 -14.425 9.175 1.554
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 9.436 -15.915 -20.586
2 H2 GLY 1 2H GLY 1 9.748 -16.423 -22.112
3 H3 GLY 1 3H GLY 1 10.306 -17.283 -20.834
4 HA2 GLY 1 1HA GLY 1 8.402 -18.390 -21.812
5 HA3 GLY 1 2HA GLY 1 8.083 -17.866 -20.148
6 H SER 2 H SER 2 6.342 -18.277 -22.649
7 HA SER 2 HA SER 2 5.501 -15.829 -23.716
8 HB2 SER 2 1HB SER 2 3.870 -18.380 -23.443
9 HB3 SER 2 2HB SER 2 3.624 -17.079 -24.627
10 HG SER 2 HG SER 2 4.821 -18.829 -25.512
11 H SER 3 H SER 3 4.642 -17.048 -20.584
12 HA SER 3 HA SER 3 2.154 -15.582 -20.231
13 HB2 SER 3 1HB SER 3 2.478 -16.163 -17.866
14 HB3 SER 3 2HB SER 3 2.731 -17.576 -18.908
15 HG SER 3 HG SER 3 4.399 -17.413 -17.366
16 H GLY 4 H GLY 4 5.478 -14.607 -20.278
17 HA2 GLY 4 1HA GLY 4 6.509 -12.597 -19.839
18 HA3 GLY 4 2HA GLY 4 4.945 -11.876 -19.440
19 H SER 5 H SER 5 5.482 -14.703 -17.588
20 HA SER 5 HA SER 5 5.644 -15.028 -15.353
21 HB2 SER 5 1HB SER 5 8.068 -13.219 -15.595
22 HB3 SER 5 2HB SER 5 7.729 -14.353 -14.277
23 HG SER 5 HG SER 5 8.119 -15.006 -17.027
24 H SER 6 H SER 6 3.675 -13.208 -15.845
25 HA SER 6 HA SER 6 3.895 -10.755 -14.397
26 HB2 SER 6 1HB SER 6 1.468 -10.577 -14.789
27 HB3 SER 6 2HB SER 6 2.375 -10.994 -16.250
28 HG SER 6 HG SER 6 0.488 -12.281 -16.012
29 H GLY 7 H GLY 7 2.633 -10.025 -12.605
30 HA2 GLY 7 1HA GLY 7 1.351 -11.729 -10.692
31 HA3 GLY 7 2HA GLY 7 3.009 -11.385 -10.183
32 H ILE 8 H ILE 8 1.100 -10.531 -8.521
33 HA ILE 8 HA ILE 8 0.110 -7.875 -9.168
34 HB ILE 8 HB ILE 8 -0.847 -7.848 -6.931
35 HG12 ILE 8 1HG1 ILE 8 0.363 -10.622 -6.525
36 HG13 ILE 8 2HG1 ILE 8 0.924 -9.148 -5.734
37 HG21 ILE 8 1HG2 ILE 8 -1.987 -8.881 -8.903
38 HG22 ILE 8 2HG2 ILE 8 -1.403 -10.473 -8.377
39 HG23 ILE 8 3HG2 ILE 8 -2.522 -9.544 -7.359
40 HD11 ILE 8 3HD1 ILE 8 -0.476 -10.348 -4.197
41 HD12 ILE 8 1HD1 ILE 8 -1.325 -8.867 -4.683
42 HD13 ILE 8 2HD1 ILE 8 -1.802 -10.444 -5.366
43 H LYS 9 H LYS 9 0.528 -5.935 -8.242
44 HA LYS 9 HA LYS 9 2.682 -5.516 -6.286
45 HB2 LYS 9 1HB LYS 9 3.794 -5.530 -8.547
46 HB3 LYS 9 2HB LYS 9 2.802 -4.139 -9.001
47 HG2 LYS 9 1HG LYS 9 3.782 -2.836 -7.117
48 HG3 LYS 9 2HG LYS 9 4.751 -4.238 -6.639
49 HD2 LYS 9 1HD LYS 9 4.932 -2.781 -9.309
50 HD3 LYS 9 2HD LYS 9 6.008 -2.524 -7.925
51 HE2 LYS 9 1HE LYS 9 6.728 -4.905 -8.040
52 HE3 LYS 9 2HE LYS 9 5.684 -5.151 -9.445
53 HZ1 LYS 9 3HZ LYS 9 7.965 -4.700 -10.120
54 HZ2 LYS 9 1HZ LYS 9 7.978 -3.266 -9.343
55 HZ3 LYS 9 2HZ LYS 9 7.007 -3.488 -10.639
56 H GLN 10 H GLN 10 2.331 -3.640 -5.085
57 HA GLN 10 HA GLN 10 0.006 -1.908 -5.821
58 HB2 GLN 10 1HB GLN 10 0.581 -3.263 -3.156
59 HB3 GLN 10 2HB GLN 10 -0.570 -1.952 -3.344
60 HG2 GLN 10 1HG GLN 10 -0.748 -4.630 -4.798
61 HG3 GLN 10 2HG GLN 10 -1.618 -4.208 -3.344
62 HE21 GLN 10 1HE2 GLN 10 -3.113 -5.038 -5.494
63 HE22 GLN 10 2HE2 GLN 10 -3.970 -3.654 -6.153
64 H HIS 11 H HIS 11 0.176 0.243 -5.366
65 HA HIS 11 HA HIS 11 2.487 1.194 -3.809
66 HB2 HIS 11 1HB HIS 11 3.321 2.664 -5.452
67 HB3 HIS 11 2HB HIS 11 3.200 1.084 -6.211
68 HD1 HIS 11 1HD HIS 11 1.495 4.555 -6.273
69 HD2 HIS 11 2HD HIS 11 1.560 0.872 -8.326
70 HE1 HIS 11 1HE HIS 11 0.218 4.922 -8.449
71 H CYS 12 H CYS 12 2.387 3.265 -3.018
72 HA CYS 12 HA CYS 12 -0.206 4.328 -2.335
73 HB2 CYS 12 1HB CYS 12 1.767 4.322 -0.879
74 HB3 CYS 12 2HB CYS 12 2.602 5.424 -1.994
75 H ARG 13 H ARG 13 -1.157 6.150 -2.931
76 HA ARG 13 HA ARG 13 -0.682 7.263 -5.649
77 HB2 ARG 13 1HB ARG 13 -2.902 6.483 -4.963
78 HB3 ARG 13 2HB ARG 13 -2.920 7.626 -3.617
79 HG2 ARG 13 1HG ARG 13 -2.948 9.525 -5.123
80 HG3 ARG 13 2HG ARG 13 -2.687 8.490 -6.535
81 HD2 ARG 13 1HD ARG 13 -5.098 8.347 -4.686
82 HD3 ARG 13 2HD ARG 13 -5.045 9.292 -6.189
83 HE ARG 13 HE ARG 13 -4.308 6.670 -6.887
84 HH11 ARG 13 2HH1 ARG 13 -7.205 8.225 -5.681
85 HH12 ARG 13 1HH1 ARG 13 -8.256 7.042 -6.412
86 HH21 ARG 13 2HH2 ARG 13 -5.703 5.192 -7.787
87 HH22 ARG 13 1HH2 ARG 13 -7.419 5.374 -7.575
88 H PHE 14 H PHE 14 -0.129 8.108 -2.339
89 HA PHE 14 HA PHE 14 -0.011 11.023 -2.945
90 HB2 PHE 14 1HB PHE 14 -0.172 9.602 -0.289
91 HB3 PHE 14 2HB PHE 14 -0.447 11.307 -0.597
92 HD1 PHE 14 2HD PHE 14 -2.440 11.868 -2.269
93 HD2 PHE 14 1HD PHE 14 -1.966 8.069 -0.281
94 HE1 PHE 14 2HE PHE 14 -4.836 11.351 -2.676
95 HE2 PHE 14 1HE PHE 14 -4.358 7.558 -0.684
96 HZ PHE 14 HZ PHE 14 -5.798 9.196 -1.887
97 H CYS 15 H CYS 15 2.048 8.436 -1.686
98 HA CYS 15 HA CYS 15 4.356 10.318 -1.793
99 HB2 CYS 15 1HB CYS 15 5.320 9.443 0.183
100 HB3 CYS 15 2HB CYS 15 3.704 10.052 0.530
101 H LYS 16 H LYS 16 3.141 7.726 -3.256
102 HA LYS 16 HA LYS 16 3.857 6.117 -4.657
103 HB2 LYS 16 1HB LYS 16 6.323 7.861 -4.905
104 HB3 LYS 16 2HB LYS 16 5.809 6.611 -6.041
105 HG2 LYS 16 1HG LYS 16 3.679 7.841 -6.438
106 HG3 LYS 16 2HG LYS 16 4.248 9.139 -5.369
107 HD2 LYS 16 1HD LYS 16 6.198 9.525 -6.865
108 HD3 LYS 16 2HD LYS 16 5.663 8.198 -7.900
109 HE2 LYS 16 1HE LYS 16 4.986 10.210 -8.970
110 HE3 LYS 16 2HE LYS 16 3.531 9.423 -8.356
111 HZ1 LYS 16 3HZ LYS 16 3.556 10.996 -6.487
112 HZ2 LYS 16 1HZ LYS 16 3.556 11.818 -7.894
113 HZ3 LYS 16 2HZ LYS 16 4.934 11.693 -7.034
114 H LYS 17 H LYS 17 4.818 5.808 -1.733
115 HA LYS 17 HA LYS 17 6.917 3.836 -1.800
116 HB2 LYS 17 1HB LYS 17 4.583 4.311 0.106
117 HB3 LYS 17 2HB LYS 17 5.755 3.012 0.325
118 HG2 LYS 17 1HG LYS 17 7.600 4.780 0.243
119 HG3 LYS 17 2HG LYS 17 6.312 5.993 0.297
120 HD2 LYS 17 1HD LYS 17 7.007 5.732 2.536
121 HD3 LYS 17 2HD LYS 17 5.485 4.821 2.422
122 HE2 LYS 17 1HE LYS 17 6.740 2.710 2.217
123 HE3 LYS 17 2HE LYS 17 8.274 3.596 2.213
124 HZ1 LYS 17 3HZ LYS 17 7.763 2.708 4.413
125 HZ2 LYS 17 1HZ LYS 17 6.351 3.528 4.474
126 HZ3 LYS 17 2HZ LYS 17 7.774 4.339 4.477
127 H LYS 18 H LYS 18 6.599 1.557 -1.346
128 HA LYS 18 HA LYS 18 4.482 0.354 -3.111
129 HB2 LYS 18 1HB LYS 18 7.476 -0.125 -3.314
130 HB3 LYS 18 2HB LYS 18 6.229 -1.024 -4.200
131 HG2 LYS 18 1HG LYS 18 5.452 1.045 -5.287
132 HG3 LYS 18 2HG LYS 18 6.628 1.994 -4.369
133 HD2 LYS 18 1HD LYS 18 8.491 0.796 -5.483
134 HD3 LYS 18 2HD LYS 18 7.308 -0.114 -6.435
135 HE2 LYS 18 1HE LYS 18 8.122 1.730 -7.777
136 HE3 LYS 18 2HE LYS 18 6.424 2.009 -7.383
137 HZ1 LYS 18 3HZ LYS 18 7.141 3.596 -5.662
138 HZ2 LYS 18 1HZ LYS 18 7.790 4.014 -7.100
139 HZ3 LYS 18 2HZ LYS 18 8.720 3.284 -5.980
140 H TYR 19 H TYR 19 3.700 -1.560 -2.630
141 HA TYR 19 HA TYR 19 4.570 -2.882 -0.101
142 HB2 TYR 19 1HB TYR 19 1.835 -1.771 -0.809
143 HB3 TYR 19 2HB TYR 19 2.097 -2.925 0.492
144 HD1 TYR 19 2HD TYR 19 3.471 -2.362 2.468
145 HD2 TYR 19 1HD TYR 19 2.552 0.592 -0.543
146 HE1 TYR 19 2HE TYR 19 4.284 -0.569 3.982
147 HE2 TYR 19 1HE TYR 19 3.393 2.390 0.981
148 HH TYR 19 HH TYR 19 4.674 1.634 4.244
149 H SER 20 H SER 20 3.828 -4.962 0.293
150 HA SER 20 HA SER 20 3.877 -6.685 -2.036
151 HB2 SER 20 1HB SER 20 3.965 -8.454 -0.242
152 HB3 SER 20 2HB SER 20 5.221 -7.210 -0.128
153 HG SER 20 HG SER 20 4.263 -7.617 1.903
154 H ASP 21 H ASP 21 1.299 -5.425 -0.121
155 HA ASP 21 HA ASP 21 -0.700 -7.156 -1.429
156 HB2 ASP 21 1HB ASP 21 0.098 -8.203 0.802
157 HB3 ASP 21 2HB ASP 21 -0.674 -6.838 1.600
158 H VAL 22 H VAL 22 -2.791 -6.175 -1.447
159 HA VAL 22 HA VAL 22 -2.884 -3.280 -1.371
160 HB VAL 22 HB VAL 22 -4.244 -4.762 -2.862
161 HG11 VAL 22 1HG1 VAL 22 -6.055 -5.169 -0.446
162 HG12 VAL 22 2HG1 VAL 22 -6.344 -5.697 -2.112
163 HG13 VAL 22 3HG1 VAL 22 -5.029 -6.424 -1.178
164 HG21 VAL 22 3HG2 VAL 22 -5.819 -2.749 -1.218
165 HG22 VAL 22 1HG2 VAL 22 -4.736 -2.371 -2.574
166 HG23 VAL 22 2HG2 VAL 22 -6.207 -3.317 -2.854
167 H LYS 23 H LYS 23 -3.636 -5.831 0.921
168 HA LYS 23 HA LYS 23 -4.996 -4.297 2.949
169 HB2 LYS 23 1HB LYS 23 -3.165 -6.708 3.195
170 HB3 LYS 23 2HB LYS 23 -4.251 -6.115 4.459
171 HG2 LYS 23 1HG LYS 23 -6.222 -6.621 3.119
172 HG3 LYS 23 2HG LYS 23 -5.240 -6.999 1.711
173 HD2 LYS 23 1HD LYS 23 -4.114 -8.769 3.404
174 HD3 LYS 23 2HD LYS 23 -5.672 -8.588 4.217
175 HE2 LYS 23 1HE LYS 23 -5.904 -10.443 2.724
176 HE3 LYS 23 2HE LYS 23 -6.773 -9.101 1.968
177 HZ1 LYS 23 3HZ LYS 23 -4.009 -9.994 1.268
178 HZ2 LYS 23 1HZ LYS 23 -4.689 -8.707 0.632
179 HZ3 LYS 23 2HZ LYS 23 -5.349 -10.193 0.334
180 H ASN 24 H ASN 24 -1.537 -4.937 2.383
181 HA ASN 24 HA ASN 24 -0.591 -3.451 4.687
182 HB2 ASN 24 1HB ASN 24 0.814 -4.455 2.168
183 HB3 ASN 24 2HB ASN 24 1.635 -3.720 3.541
184 HD21 ASN 24 1HD2 ASN 24 2.273 -6.362 2.652
185 HD22 ASN 24 2HD2 ASN 24 1.767 -7.431 3.944
186 H LEU 25 H LEU 25 -0.981 -2.643 1.216
187 HA LEU 25 HA LEU 25 -0.077 0.057 1.349
188 HB2 LEU 25 1HB LEU 25 -0.439 -1.037 -0.771
189 HB3 LEU 25 2HB LEU 25 -2.125 -1.367 -0.386
190 HG LEU 25 HG LEU 25 -2.688 1.008 -0.490
191 HD11 LEU 25 1HD1 LEU 25 0.240 1.409 -1.288
192 HD12 LEU 25 2HD1 LEU 25 -0.519 2.024 0.195
193 HD13 LEU 25 3HD1 LEU 25 -1.043 2.635 -1.369
194 HD21 LEU 25 3HD2 LEU 25 -2.757 -0.387 -2.549
195 HD22 LEU 25 1HD2 LEU 25 -1.119 0.186 -2.950
196 HD23 LEU 25 2HD2 LEU 25 -2.464 1.333 -2.865
197 H ILE 26 H ILE 26 -3.414 -1.257 1.893
198 HA ILE 26 HA ILE 26 -4.540 1.311 2.484
199 HB ILE 26 HB ILE 26 -5.445 -1.521 3.024
200 HG12 ILE 26 1HG1 ILE 26 -6.569 0.670 1.204
201 HG13 ILE 26 2HG1 ILE 26 -5.331 -0.451 0.665
202 HG21 ILE 26 1HG2 ILE 26 -6.969 1.056 3.642
203 HG22 ILE 26 2HG2 ILE 26 -7.679 -0.572 3.634
204 HG23 ILE 26 3HG2 ILE 26 -6.452 -0.170 4.822
205 HD11 ILE 26 3HD1 ILE 26 -8.142 -1.210 1.526
206 HD12 ILE 26 1HD1 ILE 26 -7.446 -1.247 -0.102
207 HD13 ILE 26 2HD1 ILE 26 -6.843 -2.369 1.137
208 H LYS 27 H LYS 27 -3.057 -1.126 4.657
209 HA LYS 27 HA LYS 27 -3.530 0.302 7.092
210 HB2 LYS 27 1HB LYS 27 -2.493 -2.136 6.463
211 HB3 LYS 27 2HB LYS 27 -0.994 -1.298 6.804
212 HG2 LYS 27 1HG LYS 27 -3.426 -1.599 8.635
213 HG3 LYS 27 2HG LYS 27 -1.952 -2.548 8.725
214 HD2 LYS 27 1HD LYS 27 -2.225 0.413 9.376
215 HD3 LYS 27 2HD LYS 27 -2.019 -0.922 10.505
216 HE2 LYS 27 1HE LYS 27 0.202 -1.445 9.435
217 HE3 LYS 27 2HE LYS 27 0.015 -0.000 8.429
218 HZ1 LYS 27 3HZ LYS 27 0.134 -0.015 11.396
219 HZ2 LYS 27 1HZ LYS 27 -0.104 1.323 10.488
220 HZ3 LYS 27 2HZ LYS 27 1.315 0.511 10.397
221 H HIS 28 H HIS 28 -0.927 0.664 4.671
222 HA HIS 28 HA HIS 28 0.489 2.748 6.099
223 HB2 HIS 28 1HB HIS 28 1.667 1.694 4.362
224 HB3 HIS 28 2HB HIS 28 0.367 1.873 3.203
225 HD1 HIS 28 1HD HIS 28 2.831 4.213 5.066
226 HD2 HIS 28 2HD HIS 28 0.420 3.950 1.634
227 HE1 HIS 28 1HE HIS 28 3.307 6.313 3.731
228 H ILE 29 H ILE 29 -2.003 2.953 3.486
229 HA ILE 29 HA ILE 29 -2.207 5.748 3.414
230 HB ILE 29 HB ILE 29 -4.256 3.597 2.810
231 HG12 ILE 29 1HG1 ILE 29 -2.667 5.404 0.923
232 HG13 ILE 29 2HG1 ILE 29 -2.102 3.819 1.425
233 HG21 ILE 29 1HG2 ILE 29 -4.463 6.584 2.211
234 HG22 ILE 29 2HG2 ILE 29 -5.553 5.337 1.575
235 HG23 ILE 29 3HG2 ILE 29 -5.527 5.650 3.293
236 HD11 ILE 29 3HD1 ILE 29 -4.624 4.380 -0.181
237 HD12 ILE 29 1HD1 ILE 29 -3.144 3.592 -0.728
238 HD13 ILE 29 2HD1 ILE 29 -4.177 2.786 0.474
239 H ARG 30 H ARG 30 -4.197 3.549 5.467
240 HA ARG 30 HA ARG 30 -5.730 5.679 6.597
241 HB2 ARG 30 1HB ARG 30 -6.624 4.100 8.133
242 HB3 ARG 30 2HB ARG 30 -6.521 3.399 6.527
243 HG2 ARG 30 1HG ARG 30 -5.359 1.698 7.245
244 HG3 ARG 30 2HG ARG 30 -4.090 2.711 7.923
245 HD2 ARG 30 1HD ARG 30 -6.674 1.986 9.362
246 HD3 ARG 30 2HD ARG 30 -5.149 1.122 9.547
247 HE ARG 30 HE ARG 30 -4.111 3.206 10.418
248 HH11 ARG 30 2HH1 ARG 30 -7.623 3.100 10.703
249 HH12 ARG 30 1HH1 ARG 30 -7.594 4.282 11.983
250 HH21 ARG 30 2HH2 ARG 30 -4.146 4.581 11.902
251 HH22 ARG 30 1HH2 ARG 30 -5.631 5.134 12.686
252 H ASP 31 H ASP 31 -2.507 4.807 7.392
253 HA ASP 31 HA ASP 31 -2.611 6.329 9.957
254 HB2 ASP 31 1HB ASP 31 -0.514 4.551 8.666
255 HB3 ASP 31 2HB ASP 31 -0.189 5.567 10.063
256 H ALA 32 H ALA 32 -1.087 6.437 6.713
257 HA ALA 32 HA ALA 32 0.458 8.815 7.456
258 HB1 ALA 32 1HB ALA 32 1.472 6.901 6.298
259 HB2 ALA 32 2HB ALA 32 0.377 7.142 4.917
260 HB3 ALA 32 3HB ALA 32 1.583 8.380 5.323
261 H HIS 33 H HIS 33 -2.424 8.214 5.496
262 HA HIS 33 HA HIS 33 -2.372 11.061 4.525
263 HB2 HIS 33 1HB HIS 33 -3.121 8.633 2.863
264 HB3 HIS 33 2HB HIS 33 -2.981 10.300 2.316
265 HD1 HIS 33 1HD HIS 33 -0.195 11.232 2.808
266 HD2 HIS 33 2HD HIS 33 -1.107 7.173 2.226
267 HE1 HIS 33 1HE HIS 33 1.979 10.132 2.078
268 H ASP 34 H ASP 34 -4.377 8.204 5.108
269 HA ASP 34 HA ASP 34 -6.588 7.831 5.156
270 HB2 ASP 34 1HB ASP 34 -5.792 8.334 7.423
271 HB3 ASP 34 2HB ASP 34 -6.381 9.989 7.262
272 HA PRO 35 HA PRO 35 -8.397 11.279 2.610
273 HB2 PRO 35 1HB PRO 35 -8.586 10.079 0.200
274 HB3 PRO 35 2HB PRO 35 -7.000 10.633 0.821
275 HG2 PRO 35 1HG PRO 35 -8.181 7.832 0.999
276 HG3 PRO 35 2HG PRO 35 -6.574 8.304 0.363
277 HD2 PRO 35 1HD PRO 35 -6.982 7.485 2.954
278 HD3 PRO 35 2HD PRO 35 -5.730 8.695 2.512
279 H GLN 36 H GLN 36 -9.436 8.546 4.072
280 HA GLN 36 HA GLN 36 -11.737 7.723 2.574
281 HB2 GLN 36 1HB GLN 36 -10.996 7.230 5.486
282 HB3 GLN 36 2HB GLN 36 -12.177 6.317 4.546
283 HG2 GLN 36 1HG GLN 36 -10.396 5.527 3.020
284 HG3 GLN 36 2HG GLN 36 -9.185 6.430 3.939
285 HE21 GLN 36 1HE2 GLN 36 -9.052 5.893 6.363
286 HE22 GLN 36 2HE2 GLN 36 -9.273 4.183 6.769
287 H ASP 37 H ASP 37 -11.321 10.360 4.719
288 HA ASP 37 HA ASP 37 -14.242 10.914 4.824
289 HB2 ASP 37 1HB ASP 37 -13.689 9.776 6.934
290 HB3 ASP 37 2HB ASP 37 -12.409 10.943 7.250
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 19.444 -7.813 -11.987
2 H2 GLY 1 2H GLY 1 18.062 -8.351 -11.290
3 H3 GLY 1 3H GLY 1 18.473 -6.770 -11.178
4 HA2 GLY 1 1HA GLY 1 18.209 -6.460 -13.547
5 HA3 GLY 1 2HA GLY 1 17.784 -8.176 -13.678
6 H SER 2 H SER 2 16.196 -5.813 -14.418
7 HA SER 2 HA SER 2 14.103 -5.334 -12.520
8 HB2 SER 2 1HB SER 2 14.050 -5.019 -15.543
9 HB3 SER 2 2HB SER 2 12.951 -4.252 -14.385
10 HG SER 2 HG SER 2 14.711 -3.093 -13.535
11 H SER 3 H SER 3 11.917 -5.972 -12.520
12 HA SER 3 HA SER 3 11.346 -8.726 -13.290
13 HB2 SER 3 1HB SER 3 9.140 -8.249 -12.230
14 HB3 SER 3 2HB SER 3 10.532 -7.951 -11.178
15 HG SER 3 HG SER 3 8.968 -6.248 -11.106
16 H GLY 4 H GLY 4 9.402 -9.348 -14.466
17 HA2 GLY 4 1HA GLY 4 7.896 -7.625 -16.159
18 HA3 GLY 4 2HA GLY 4 9.228 -8.293 -17.107
19 H SER 5 H SER 5 6.076 -8.769 -16.288
20 HA SER 5 HA SER 5 4.574 -10.446 -16.136
21 HB2 SER 5 1HB SER 5 6.403 -11.886 -18.079
22 HB3 SER 5 2HB SER 5 4.692 -12.241 -17.780
23 HG SER 5 HG SER 5 4.998 -10.887 -19.616
24 H SER 6 H SER 6 6.883 -10.571 -14.209
25 HA SER 6 HA SER 6 6.849 -13.446 -13.426
26 HB2 SER 6 1HB SER 6 9.025 -12.913 -12.365
27 HB3 SER 6 2HB SER 6 9.009 -12.677 -14.118
28 HG SER 6 HG SER 6 9.991 -10.971 -12.758
29 H GLY 7 H GLY 7 5.616 -10.459 -12.359
30 HA2 GLY 7 1HA GLY 7 4.341 -11.421 -10.071
31 HA3 GLY 7 2HA GLY 7 5.867 -10.738 -9.503
32 H ILE 8 H ILE 8 3.721 -9.599 -8.501
33 HA ILE 8 HA ILE 8 3.616 -6.906 -9.742
34 HB ILE 8 HB ILE 8 1.211 -6.700 -9.176
35 HG12 ILE 8 1HG1 ILE 8 1.200 -9.740 -8.913
36 HG13 ILE 8 2HG1 ILE 8 1.054 -8.609 -7.566
37 HG21 ILE 8 1HG2 ILE 8 1.718 -8.862 -11.249
38 HG22 ILE 8 2HG2 ILE 8 0.401 -7.668 -11.214
39 HG23 ILE 8 3HG2 ILE 8 2.058 -7.133 -11.487
40 HD11 ILE 8 3HD1 ILE 8 -1.028 -7.679 -8.597
41 HD12 ILE 8 1HD1 ILE 8 -0.933 -8.950 -9.842
42 HD13 ILE 8 2HD1 ILE 8 -1.141 -9.391 -8.141
43 H LYS 9 H LYS 9 3.189 -5.210 -8.376
44 HA LYS 9 HA LYS 9 2.842 -5.622 -5.469
45 HB2 LYS 9 1HB LYS 9 5.086 -3.946 -6.679
46 HB3 LYS 9 2HB LYS 9 4.497 -3.757 -5.023
47 HG2 LYS 9 1HG LYS 9 5.008 -6.190 -4.608
48 HG3 LYS 9 2HG LYS 9 5.801 -6.252 -6.183
49 HD2 LYS 9 1HD LYS 9 6.554 -4.440 -3.848
50 HD3 LYS 9 2HD LYS 9 7.393 -5.919 -4.291
51 HE2 LYS 9 1HE LYS 9 7.173 -3.442 -6.068
52 HE3 LYS 9 2HE LYS 9 8.540 -3.814 -5.019
53 HZ1 LYS 9 3HZ LYS 9 7.657 -5.505 -7.297
54 HZ2 LYS 9 1HZ LYS 9 8.902 -5.856 -6.297
55 HZ3 LYS 9 2HZ LYS 9 8.980 -4.552 -7.272
56 H GLN 10 H GLN 10 1.978 -3.802 -4.418
57 HA GLN 10 HA GLN 10 0.337 -2.015 -6.162
58 HB2 GLN 10 1HB GLN 10 0.146 -2.601 -3.176
59 HB3 GLN 10 2HB GLN 10 -0.964 -1.617 -4.122
60 HG2 GLN 10 1HG GLN 10 -0.510 -4.621 -4.375
61 HG3 GLN 10 2HG GLN 10 -1.929 -3.823 -3.727
62 HE21 GLN 10 1HE2 GLN 10 -1.611 -5.737 -6.084
63 HE22 GLN 10 2HE2 GLN 10 -2.353 -4.862 -7.413
64 H HIS 11 H HIS 11 0.255 0.308 -5.657
65 HA HIS 11 HA HIS 11 2.502 1.276 -3.995
66 HB2 HIS 11 1HB HIS 11 3.307 2.823 -5.549
67 HB3 HIS 11 2HB HIS 11 3.208 1.287 -6.397
68 HD1 HIS 11 1HD HIS 11 1.413 4.721 -6.256
69 HD2 HIS 11 2HD HIS 11 1.617 1.182 -8.541
70 HE1 HIS 11 1HE HIS 11 0.155 5.189 -8.421
71 H CYS 12 H CYS 12 2.340 3.248 -3.036
72 HA CYS 12 HA CYS 12 -0.239 4.241 -2.322
73 HB2 CYS 12 1HB CYS 12 1.724 4.299 -0.887
74 HB3 CYS 12 2HB CYS 12 2.550 5.390 -2.013
75 H ARG 13 H ARG 13 -1.363 5.917 -2.900
76 HA ARG 13 HA ARG 13 -1.091 7.109 -5.581
77 HB2 ARG 13 1HB ARG 13 -3.244 6.309 -4.716
78 HB3 ARG 13 2HB ARG 13 -3.128 7.386 -3.321
79 HG2 ARG 13 1HG ARG 13 -3.354 9.356 -4.753
80 HG3 ARG 13 2HG ARG 13 -3.305 8.339 -6.208
81 HD2 ARG 13 1HD ARG 13 -5.411 7.219 -5.457
82 HD3 ARG 13 2HD ARG 13 -5.413 8.217 -4.005
83 HE ARG 13 HE ARG 13 -6.137 10.064 -5.215
84 HH11 ARG 13 2HH1 ARG 13 -5.393 7.541 -7.538
85 HH12 ARG 13 1HH1 ARG 13 -6.159 8.401 -8.844
86 HH21 ARG 13 2HH2 ARG 13 -7.092 11.096 -6.926
87 HH22 ARG 13 1HH2 ARG 13 -7.092 10.359 -8.501
88 H PHE 14 H PHE 14 -0.270 7.981 -2.337
89 HA PHE 14 HA PHE 14 -0.189 10.894 -2.984
90 HB2 PHE 14 1HB PHE 14 -0.232 9.507 -0.307
91 HB3 PHE 14 2HB PHE 14 -0.470 11.218 -0.610
92 HD1 PHE 14 2HD PHE 14 -2.565 11.892 -2.034
93 HD2 PHE 14 1HD PHE 14 -2.055 7.995 -0.255
94 HE1 PHE 14 2HE PHE 14 -5.009 11.480 -2.223
95 HE2 PHE 14 1HE PHE 14 -4.497 7.592 -0.435
96 HZ PHE 14 HZ PHE 14 -5.977 9.331 -1.423
97 H CYS 15 H CYS 15 1.903 8.285 -1.780
98 HA CYS 15 HA CYS 15 4.214 10.137 -2.022
99 HB2 CYS 15 1HB CYS 15 5.208 9.446 -0.024
100 HB3 CYS 15 2HB CYS 15 3.593 10.058 0.316
101 H LYS 16 H LYS 16 3.004 7.527 -3.357
102 HA LYS 16 HA LYS 16 3.711 5.866 -4.712
103 HB2 LYS 16 1HB LYS 16 6.145 7.647 -5.003
104 HB3 LYS 16 2HB LYS 16 5.661 6.358 -6.111
105 HG2 LYS 16 1HG LYS 16 3.512 7.529 -6.561
106 HG3 LYS 16 2HG LYS 16 3.992 8.829 -5.466
107 HD2 LYS 16 1HD LYS 16 4.386 9.567 -7.700
108 HD3 LYS 16 2HD LYS 16 5.953 9.329 -6.915
109 HE2 LYS 16 1HE LYS 16 6.199 7.139 -8.063
110 HE3 LYS 16 2HE LYS 16 4.602 7.337 -8.799
111 HZ1 LYS 16 3HZ LYS 16 6.372 8.001 -10.324
112 HZ2 LYS 16 1HZ LYS 16 6.932 9.122 -9.279
113 HZ3 LYS 16 2HZ LYS 16 5.459 9.302 -9.963
114 H LYS 17 H LYS 17 4.738 5.629 -1.808
115 HA LYS 17 HA LYS 17 6.842 3.675 -1.796
116 HB2 LYS 17 1HB LYS 17 4.463 4.227 0.033
117 HB3 LYS 17 2HB LYS 17 5.667 2.981 0.377
118 HG2 LYS 17 1HG LYS 17 7.460 4.670 0.382
119 HG3 LYS 17 2HG LYS 17 6.279 5.922 -0.051
120 HD2 LYS 17 1HD LYS 17 5.047 5.382 2.104
121 HD3 LYS 17 2HD LYS 17 6.372 4.302 2.529
122 HE2 LYS 17 1HE LYS 17 6.606 6.473 3.638
123 HE3 LYS 17 2HE LYS 17 7.959 6.180 2.542
124 HZ1 LYS 17 3HZ LYS 17 5.589 7.780 1.722
125 HZ2 LYS 17 1HZ LYS 17 7.029 7.700 0.978
126 HZ3 LYS 17 2HZ LYS 17 6.919 8.468 2.418
127 H LYS 18 H LYS 18 6.685 1.414 -1.595
128 HA LYS 18 HA LYS 18 4.415 0.241 -3.166
129 HB2 LYS 18 1HB LYS 18 7.382 -0.316 -3.444
130 HB3 LYS 18 2HB LYS 18 6.096 -1.199 -4.289
131 HG2 LYS 18 1HG LYS 18 5.328 0.852 -5.382
132 HG3 LYS 18 2HG LYS 18 6.495 1.817 -4.472
133 HD2 LYS 18 1HD LYS 18 8.367 0.611 -5.589
134 HD3 LYS 18 2HD LYS 18 7.177 -0.285 -6.548
135 HE2 LYS 18 1HE LYS 18 8.000 1.564 -7.874
136 HE3 LYS 18 2HE LYS 18 6.305 1.852 -7.477
137 HZ1 LYS 18 3HZ LYS 18 7.690 3.844 -7.176
138 HZ2 LYS 18 1HZ LYS 18 8.611 3.094 -6.061
139 HZ3 LYS 18 2HZ LYS 18 7.034 3.416 -5.742
140 H TYR 19 H TYR 19 3.560 -1.640 -2.703
141 HA TYR 19 HA TYR 19 4.421 -3.050 -0.210
142 HB2 TYR 19 1HB TYR 19 1.661 -1.995 -0.935
143 HB3 TYR 19 2HB TYR 19 2.006 -3.036 0.439
144 HD1 TYR 19 1HD TYR 19 2.346 0.389 -0.917
145 HD2 TYR 19 2HD TYR 19 3.328 -2.235 2.366
146 HE1 TYR 19 1HE TYR 19 3.167 2.342 0.408
147 HE2 TYR 19 2HE TYR 19 4.126 -0.287 3.685
148 HH TYR 19 HH TYR 19 4.563 1.954 3.682
149 H SER 20 H SER 20 4.067 -5.213 -0.083
150 HA SER 20 HA SER 20 3.763 -6.690 -2.528
151 HB2 SER 20 1HB SER 20 3.779 -7.709 0.334
152 HB3 SER 20 2HB SER 20 4.133 -8.650 -1.124
153 HG SER 20 HG SER 20 5.990 -7.415 -1.446
154 H ASP 21 H ASP 21 1.373 -5.600 -0.312
155 HA ASP 21 HA ASP 21 -0.727 -7.170 -1.663
156 HB2 ASP 21 1HB ASP 21 0.077 -8.387 0.474
157 HB3 ASP 21 2HB ASP 21 -0.607 -7.035 1.370
158 H VAL 22 H VAL 22 -2.754 -6.111 -1.654
159 HA VAL 22 HA VAL 22 -2.656 -3.248 -1.390
160 HB VAL 22 HB VAL 22 -4.053 -4.646 -2.996
161 HG11 VAL 22 1HG1 VAL 22 -6.308 -5.230 -2.401
162 HG12 VAL 22 2HG1 VAL 22 -5.197 -6.089 -1.322
163 HG13 VAL 22 3HG1 VAL 22 -6.089 -4.661 -0.738
164 HG21 VAL 22 3HG2 VAL 22 -5.344 -2.319 -1.534
165 HG22 VAL 22 1HG2 VAL 22 -4.176 -2.210 -2.858
166 HG23 VAL 22 2HG2 VAL 22 -5.781 -2.901 -3.152
167 H LYS 23 H LYS 23 -3.699 -5.800 0.813
168 HA LYS 23 HA LYS 23 -5.153 -4.102 2.661
169 HB2 LYS 23 1HB LYS 23 -3.701 -6.747 3.086
170 HB3 LYS 23 2HB LYS 23 -4.736 -5.964 4.289
171 HG2 LYS 23 1HG LYS 23 -6.656 -6.034 2.742
172 HG3 LYS 23 2HG LYS 23 -5.679 -6.829 1.514
173 HD2 LYS 23 1HD LYS 23 -6.371 -7.946 4.264
174 HD3 LYS 23 2HD LYS 23 -7.127 -8.413 2.745
175 HE2 LYS 23 1HE LYS 23 -4.212 -8.875 3.521
176 HE3 LYS 23 2HE LYS 23 -5.495 -10.085 3.503
177 HZ1 LYS 23 3HZ LYS 23 -4.386 -8.669 1.137
178 HZ2 LYS 23 1HZ LYS 23 -5.691 -9.679 1.067
179 HZ3 LYS 23 2HZ LYS 23 -4.210 -10.237 1.481
180 H ASN 24 H ASN 24 -1.700 -4.932 2.420
181 HA ASN 24 HA ASN 24 -0.915 -3.384 4.762
182 HB2 ASN 24 1HB ASN 24 0.628 -4.467 2.362
183 HB3 ASN 24 2HB ASN 24 1.380 -3.548 3.662
184 HD21 ASN 24 1HD2 ASN 24 1.347 -4.447 5.868
185 HD22 ASN 24 2HD2 ASN 24 1.171 -6.185 6.055
186 H LEU 25 H LEU 25 -1.328 -2.596 1.290
187 HA LEU 25 HA LEU 25 -0.326 0.074 1.501
188 HB2 LEU 25 1HB LEU 25 -0.532 -0.944 -0.654
189 HB3 LEU 25 2HB LEU 25 -2.258 -1.221 -0.439
190 HG LEU 25 HG LEU 25 -2.722 1.174 -0.482
191 HD11 LEU 25 1HD1 LEU 25 -0.530 2.014 0.424
192 HD12 LEU 25 2HD1 LEU 25 -1.043 2.807 -1.053
193 HD13 LEU 25 3HD1 LEU 25 0.235 1.569 -1.114
194 HD21 LEU 25 3HD2 LEU 25 -2.701 -0.130 -2.583
195 HD22 LEU 25 1HD2 LEU 25 -0.993 0.312 -2.822
196 HD23 LEU 25 2HD2 LEU 25 -2.251 1.565 -2.833
197 H ILE 26 H ILE 26 -3.847 -1.045 1.758
198 HA ILE 26 HA ILE 26 -4.777 1.464 2.554
199 HB ILE 26 HB ILE 26 -5.760 -1.349 3.063
200 HG12 ILE 26 1HG1 ILE 26 -7.708 -0.321 1.743
201 HG13 ILE 26 2HG1 ILE 26 -6.681 1.090 1.474
202 HG21 ILE 26 1HG2 ILE 26 -6.497 -0.129 5.070
203 HG22 ILE 26 2HG2 ILE 26 -7.052 1.234 4.061
204 HG23 ILE 26 3HG2 ILE 26 -7.863 -0.347 3.988
205 HD11 ILE 26 3HD1 ILE 26 -6.204 -1.735 0.511
206 HD12 ILE 26 1HD1 ILE 26 -6.797 -0.381 -0.462
207 HD13 ILE 26 2HD1 ILE 26 -5.143 -0.332 0.154
208 H LYS 27 H LYS 27 -3.240 -1.037 4.619
209 HA LYS 27 HA LYS 27 -3.605 0.331 7.100
210 HB2 LYS 27 1HB LYS 27 -2.571 -2.104 6.347
211 HB3 LYS 27 2HB LYS 27 -1.095 -1.270 6.779
212 HG2 LYS 27 1HG LYS 27 -3.573 -1.728 8.500
213 HG3 LYS 27 2HG LYS 27 -2.041 -2.575 8.637
214 HD2 LYS 27 1HD LYS 27 -2.548 0.352 9.311
215 HD3 LYS 27 2HD LYS 27 -2.320 -0.975 10.445
216 HE2 LYS 27 1HE LYS 27 -0.016 -1.334 9.631
217 HE3 LYS 27 2HE LYS 27 -0.212 -0.031 8.451
218 HZ1 LYS 27 3HZ LYS 27 -0.351 0.321 11.396
219 HZ2 LYS 27 1HZ LYS 27 -0.531 1.518 10.295
220 HZ3 LYS 27 2HZ LYS 27 0.906 0.757 10.454
221 H HIS 28 H HIS 28 -1.097 0.741 4.615
222 HA HIS 28 HA HIS 28 0.410 2.754 6.072
223 HB2 HIS 28 1HB HIS 28 1.542 1.684 4.302
224 HB3 HIS 28 2HB HIS 28 0.228 1.919 3.164
225 HD1 HIS 28 1HD HIS 28 2.689 4.229 5.090
226 HD2 HIS 28 2HD HIS 28 0.388 3.962 1.584
227 HE1 HIS 28 1HE HIS 28 3.197 6.331 3.774
228 H ILE 29 H ILE 29 -2.142 3.015 3.526
229 HA ILE 29 HA ILE 29 -2.251 5.814 3.414
230 HB ILE 29 HB ILE 29 -4.411 3.743 2.923
231 HG12 ILE 29 1HG1 ILE 29 -2.820 5.414 0.920
232 HG13 ILE 29 2HG1 ILE 29 -2.280 3.835 1.461
233 HG21 ILE 29 1HG2 ILE 29 -5.650 5.524 1.672
234 HG22 ILE 29 2HG2 ILE 29 -5.564 5.866 3.384
235 HG23 ILE 29 3HG2 ILE 29 -4.484 6.726 2.260
236 HD11 ILE 29 3HD1 ILE 29 -3.418 3.553 -0.633
237 HD12 ILE 29 1HD1 ILE 29 -4.426 2.827 0.639
238 HD13 ILE 29 2HD1 ILE 29 -4.851 4.408 -0.060
239 H ARG 30 H ARG 30 -4.260 3.714 5.549
240 HA ARG 30 HA ARG 30 -5.629 5.930 6.765
241 HB2 ARG 30 1HB ARG 30 -6.607 4.337 8.213
242 HB3 ARG 30 2HB ARG 30 -6.408 3.542 6.650
243 HG2 ARG 30 1HG ARG 30 -4.275 2.498 7.558
244 HG3 ARG 30 2HG ARG 30 -4.694 3.136 9.148
245 HD2 ARG 30 1HD ARG 30 -6.415 1.251 7.484
246 HD3 ARG 30 2HD ARG 30 -5.367 0.761 8.827
247 HE ARG 30 HE ARG 30 -7.038 2.727 9.894
248 HH11 ARG 30 2HH1 ARG 30 -7.558 -0.448 8.502
249 HH12 ARG 30 1HH1 ARG 30 -9.014 -0.709 9.422
250 HH21 ARG 30 2HH2 ARG 30 -8.905 2.329 11.027
251 HH22 ARG 30 1HH2 ARG 30 -9.747 0.823 10.815
252 H ASP 31 H ASP 31 -2.433 4.914 7.327
253 HA ASP 31 HA ASP 31 -2.306 6.210 10.006
254 HB2 ASP 31 1HB ASP 31 -1.273 3.985 9.663
255 HB3 ASP 31 2HB ASP 31 -0.215 4.666 8.430
256 H ALA 32 H ALA 32 -0.913 6.478 6.725
257 HA ALA 32 HA ALA 32 0.647 8.845 7.485
258 HB1 ALA 32 1HB ALA 32 1.730 8.447 5.317
259 HB2 ALA 32 2HB ALA 32 1.643 6.954 6.275
260 HB3 ALA 32 3HB ALA 32 0.515 7.211 4.924
261 H HIS 33 H HIS 33 -2.283 8.283 5.588
262 HA HIS 33 HA HIS 33 -2.213 11.127 4.616
263 HB2 HIS 33 1HB HIS 33 -3.115 8.708 3.023
264 HB3 HIS 33 2HB HIS 33 -2.978 10.368 2.455
265 HD1 HIS 33 1HD HIS 33 -0.155 11.260 2.790
266 HD2 HIS 33 2HD HIS 33 -1.167 7.216 2.264
267 HE1 HIS 33 1HE HIS 33 1.958 10.119 1.941
268 H ASP 34 H ASP 34 -4.298 8.337 5.297
269 HA ASP 34 HA ASP 34 -6.520 8.084 5.624
270 HB2 ASP 34 1HB ASP 34 -5.453 8.570 7.767
271 HB3 ASP 34 2HB ASP 34 -5.875 10.270 7.610
272 HA PRO 35 HA PRO 35 -8.168 11.678 3.113
273 HB2 PRO 35 1HB PRO 35 -8.965 10.337 0.878
274 HB3 PRO 35 2HB PRO 35 -7.273 10.864 1.133
275 HG2 PRO 35 1HG PRO 35 -8.470 8.127 1.698
276 HG3 PRO 35 2HG PRO 35 -6.981 8.510 0.777
277 HD2 PRO 35 1HD PRO 35 -6.910 7.811 3.404
278 HD3 PRO 35 2HD PRO 35 -5.787 9.039 2.737
279 H GLN 36 H GLN 36 -10.362 12.184 2.725
280 HA GLN 36 HA GLN 36 -12.242 10.689 4.404
281 HB2 GLN 36 1HB GLN 36 -12.499 13.322 2.905
282 HB3 GLN 36 2HB GLN 36 -13.721 12.644 3.991
283 HG2 GLN 36 1HG GLN 36 -12.081 12.669 5.864
284 HG3 GLN 36 2HG GLN 36 -10.887 13.424 4.806
285 HE21 GLN 36 1HE2 GLN 36 -11.271 14.864 6.978
286 HE22 GLN 36 2HE2 GLN 36 -12.344 16.226 6.679
287 H ASP 37 H ASP 37 -11.444 10.258 1.220
288 HA ASP 37 HA ASP 37 -13.998 8.926 0.559
289 HB2 ASP 37 1HB ASP 37 -14.254 11.204 -0.346
290 HB3 ASP 37 2HB ASP 37 -12.731 11.050 -1.213
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 18.477 -13.573 -7.926
2 H2 GLY 1 2H GLY 1 19.333 -12.737 -6.807
3 H3 GLY 1 3H GLY 1 18.237 -11.963 -7.750
4 HA2 GLY 1 1HA GLY 1 17.604 -14.015 -5.730
5 HA3 GLY 1 2HA GLY 1 17.359 -12.271 -5.526
6 H SER 2 H SER 2 15.334 -14.283 -5.321
7 HA SER 2 HA SER 2 13.373 -13.286 -7.294
8 HB2 SER 2 1HB SER 2 12.597 -15.552 -7.849
9 HB3 SER 2 2HB SER 2 14.264 -15.287 -8.375
10 HG SER 2 HG SER 2 14.001 -17.318 -7.337
11 H SER 3 H SER 3 11.133 -14.025 -6.748
12 HA SER 3 HA SER 3 10.637 -14.792 -3.944
13 HB2 SER 3 1HB SER 3 10.846 -12.271 -4.020
14 HB3 SER 3 2HB SER 3 9.424 -12.248 -5.081
15 HG SER 3 HG SER 3 8.910 -11.986 -2.832
16 H GLY 4 H GLY 4 8.372 -15.304 -3.542
17 HA2 GLY 4 1HA GLY 4 7.283 -16.960 -5.659
18 HA3 GLY 4 2HA GLY 4 6.623 -16.751 -4.042
19 H SER 5 H SER 5 5.160 -16.956 -6.486
20 HA SER 5 HA SER 5 4.240 -14.398 -7.412
21 HB2 SER 5 1HB SER 5 2.942 -17.124 -7.741
22 HB3 SER 5 2HB SER 5 2.665 -15.692 -8.745
23 HG SER 5 HG SER 5 4.824 -15.812 -9.446
24 H SER 6 H SER 6 3.492 -15.823 -4.476
25 HA SER 6 HA SER 6 0.662 -15.483 -4.323
26 HB2 SER 6 1HB SER 6 2.689 -15.539 -2.059
27 HB3 SER 6 2HB SER 6 0.953 -15.883 -1.943
28 HG SER 6 HG SER 6 2.202 -17.806 -2.091
29 H GLY 7 H GLY 7 3.191 -13.099 -3.995
30 HA2 GLY 7 1HA GLY 7 1.723 -11.177 -2.369
31 HA3 GLY 7 2HA GLY 7 3.183 -10.873 -3.302
32 H ILE 8 H ILE 8 1.077 -9.050 -3.107
33 HA ILE 8 HA ILE 8 0.091 -8.892 -5.935
34 HB ILE 8 HB ILE 8 -1.414 -7.890 -3.492
35 HG12 ILE 8 1HG1 ILE 8 -2.046 -10.285 -5.272
36 HG13 ILE 8 2HG1 ILE 8 -1.477 -10.371 -3.605
37 HG21 ILE 8 1HG2 ILE 8 -1.691 -6.545 -5.602
38 HG22 ILE 8 2HG2 ILE 8 -2.232 -8.017 -6.432
39 HG23 ILE 8 3HG2 ILE 8 -3.180 -7.328 -5.097
40 HD11 ILE 8 3HD1 ILE 8 -4.160 -9.289 -4.517
41 HD12 ILE 8 1HD1 ILE 8 -3.826 -10.742 -3.568
42 HD13 ILE 8 2HD1 ILE 8 -3.527 -9.144 -2.855
43 H LYS 9 H LYS 9 1.581 -7.532 -6.771
44 HA LYS 9 HA LYS 9 2.921 -5.480 -5.301
45 HB2 LYS 9 1HB LYS 9 3.867 -4.762 -7.393
46 HB3 LYS 9 2HB LYS 9 3.966 -6.507 -7.173
47 HG2 LYS 9 1HG LYS 9 2.012 -6.790 -8.734
48 HG3 LYS 9 2HG LYS 9 2.016 -5.032 -9.003
49 HD2 LYS 9 1HD LYS 9 4.349 -5.158 -9.807
50 HD3 LYS 9 2HD LYS 9 4.341 -6.916 -9.552
51 HE2 LYS 9 1HE LYS 9 2.455 -7.138 -11.164
52 HE3 LYS 9 2HE LYS 9 2.460 -5.388 -11.416
53 HZ1 LYS 9 3HZ LYS 9 3.703 -6.534 -13.157
54 HZ2 LYS 9 1HZ LYS 9 4.719 -7.205 -12.072
55 HZ3 LYS 9 2HZ LYS 9 4.723 -5.588 -12.305
56 H GLN 10 H GLN 10 2.344 -3.583 -4.661
57 HA GLN 10 HA GLN 10 0.247 -1.989 -6.065
58 HB2 GLN 10 1HB GLN 10 0.361 -2.802 -3.126
59 HB3 GLN 10 2HB GLN 10 -0.612 -1.459 -3.700
60 HG2 GLN 10 1HG GLN 10 -0.943 -4.336 -4.637
61 HG3 GLN 10 2HG GLN 10 -1.900 -3.554 -3.403
62 HE21 GLN 10 1HE2 GLN 10 -3.306 -4.632 -5.458
63 HE22 GLN 10 2HE2 GLN 10 -3.908 -3.345 -6.492
64 H HIS 11 H HIS 11 0.237 0.308 -5.446
65 HA HIS 11 HA HIS 11 2.557 1.224 -3.912
66 HB2 HIS 11 1HB HIS 11 3.366 2.806 -5.478
67 HB3 HIS 11 2HB HIS 11 3.323 1.244 -6.282
68 HD1 HIS 11 1HD HIS 11 1.459 4.635 -6.275
69 HD2 HIS 11 2HD HIS 11 1.760 1.037 -8.451
70 HE1 HIS 11 1HE HIS 11 0.217 5.017 -8.470
71 H CYS 12 H CYS 12 2.427 3.249 -3.007
72 HA CYS 12 HA CYS 12 -0.163 4.283 -2.301
73 HB2 CYS 12 1HB CYS 12 1.779 4.297 -0.843
74 HB3 CYS 12 2HB CYS 12 2.648 5.369 -1.962
75 H ARG 13 H ARG 13 -1.145 6.120 -2.849
76 HA ARG 13 HA ARG 13 -0.708 7.262 -5.560
77 HB2 ARG 13 1HB ARG 13 -2.956 6.573 -4.864
78 HB3 ARG 13 2HB ARG 13 -2.879 7.617 -3.441
79 HG2 ARG 13 1HG ARG 13 -2.852 9.624 -4.862
80 HG3 ARG 13 2HG ARG 13 -2.812 8.614 -6.322
81 HD2 ARG 13 1HD ARG 13 -5.031 7.656 -5.686
82 HD3 ARG 13 2HD ARG 13 -5.030 8.642 -4.227
83 HE ARG 13 HE ARG 13 -5.545 10.548 -5.452
84 HH11 ARG 13 2HH1 ARG 13 -4.890 7.986 -7.759
85 HH12 ARG 13 1HH1 ARG 13 -5.521 8.912 -9.094
86 HH21 ARG 13 2HH2 ARG 13 -6.331 11.662 -7.199
87 HH22 ARG 13 1HH2 ARG 13 -6.312 10.934 -8.777
88 H PHE 14 H PHE 14 -0.298 8.144 -2.193
89 HA PHE 14 HA PHE 14 -0.078 11.025 -2.844
90 HB2 PHE 14 1HB PHE 14 -0.202 9.626 -0.172
91 HB3 PHE 14 2HB PHE 14 -0.439 11.337 -0.475
92 HD1 PHE 14 2HD PHE 14 -2.468 11.996 -2.010
93 HD2 PHE 14 1HD PHE 14 -2.022 8.108 -0.197
94 HE1 PHE 14 2HE PHE 14 -4.894 11.563 -2.331
95 HE2 PHE 14 1HE PHE 14 -4.444 7.679 -0.518
96 HZ PHE 14 HZ PHE 14 -5.885 9.405 -1.588
97 H CYS 15 H CYS 15 1.984 8.427 -1.601
98 HA CYS 15 HA CYS 15 4.298 10.286 -1.785
99 HB2 CYS 15 1HB CYS 15 5.302 9.489 0.170
100 HB3 CYS 15 2HB CYS 15 3.689 10.077 0.550
101 H LYS 16 H LYS 16 3.043 7.737 -3.213
102 HA LYS 16 HA LYS 16 3.729 6.192 -4.716
103 HB2 LYS 16 1HB LYS 16 6.209 7.913 -4.948
104 HB3 LYS 16 2HB LYS 16 5.566 6.819 -6.164
105 HG2 LYS 16 1HG LYS 16 4.269 9.399 -5.202
106 HG3 LYS 16 2HG LYS 16 5.073 9.107 -6.743
107 HD2 LYS 16 1HD LYS 16 3.321 7.308 -7.207
108 HD3 LYS 16 2HD LYS 16 2.431 7.909 -5.802
109 HE2 LYS 16 1HE LYS 16 3.241 9.588 -8.220
110 HE3 LYS 16 2HE LYS 16 1.667 8.812 -8.029
111 HZ1 LYS 16 3HZ LYS 16 1.606 11.132 -7.330
112 HZ2 LYS 16 1HZ LYS 16 2.742 10.883 -6.188
113 HZ3 LYS 16 2HZ LYS 16 1.267 10.165 -6.064
114 H LYS 17 H LYS 17 4.816 5.740 -1.863
115 HA LYS 17 HA LYS 17 7.008 3.889 -2.081
116 HB2 LYS 17 1HB LYS 17 4.710 4.194 -0.105
117 HB3 LYS 17 2HB LYS 17 6.015 3.017 0.109
118 HG2 LYS 17 1HG LYS 17 7.678 4.837 0.129
119 HG3 LYS 17 2HG LYS 17 6.385 6.015 -0.172
120 HD2 LYS 17 1HD LYS 17 5.305 5.297 1.994
121 HD3 LYS 17 2HD LYS 17 6.696 4.250 2.291
122 HE2 LYS 17 1HE LYS 17 6.882 6.358 3.530
123 HE3 LYS 17 2HE LYS 17 8.197 6.195 2.363
124 HZ1 LYS 17 3HZ LYS 17 7.130 7.763 0.936
125 HZ2 LYS 17 1HZ LYS 17 7.061 8.436 2.425
126 HZ3 LYS 17 2HZ LYS 17 5.727 7.736 1.753
127 H LYS 18 H LYS 18 6.983 1.641 -2.026
128 HA LYS 18 HA LYS 18 4.707 0.368 -3.510
129 HB2 LYS 18 1HB LYS 18 7.645 -0.377 -3.452
130 HB3 LYS 18 2HB LYS 18 6.374 -1.314 -4.252
131 HG2 LYS 18 1HG LYS 18 5.788 0.677 -5.641
132 HG3 LYS 18 2HG LYS 18 7.144 1.562 -4.933
133 HD2 LYS 18 1HD LYS 18 7.364 -1.020 -6.543
134 HD3 LYS 18 2HD LYS 18 7.652 0.611 -7.166
135 HE2 LYS 18 1HE LYS 18 9.490 0.916 -5.507
136 HE3 LYS 18 2HE LYS 18 9.236 -0.737 -4.931
137 HZ1 LYS 18 3HZ LYS 18 11.028 -0.639 -6.563
138 HZ2 LYS 18 1HZ LYS 18 10.043 -0.005 -7.697
139 HZ3 LYS 18 2HZ LYS 18 9.803 -1.532 -7.165
140 H TYR 19 H TYR 19 3.813 -1.505 -2.944
141 HA TYR 19 HA TYR 19 4.454 -2.692 -0.287
142 HB2 TYR 19 1HB TYR 19 1.784 -1.591 -1.229
143 HB3 TYR 19 2HB TYR 19 1.949 -2.690 0.137
144 HD1 TYR 19 2HD TYR 19 3.329 -2.065 2.130
145 HD2 TYR 19 1HD TYR 19 2.412 0.773 -0.993
146 HE1 TYR 19 2HE TYR 19 4.141 -0.207 3.575
147 HE2 TYR 19 1HE TYR 19 3.229 2.626 0.460
148 HH TYR 19 HH TYR 19 4.139 3.192 2.492
149 H SER 20 H SER 20 3.701 -4.743 0.138
150 HA SER 20 HA SER 20 3.798 -6.548 -2.156
151 HB2 SER 20 1HB SER 20 4.123 -8.234 -0.322
152 HB3 SER 20 2HB SER 20 5.290 -6.901 -0.307
153 HG SER 20 HG SER 20 4.477 -7.296 1.782
154 H ASP 21 H ASP 21 1.237 -5.244 -0.365
155 HA ASP 21 HA ASP 21 -0.691 -7.083 -1.534
156 HB2 ASP 21 1HB ASP 21 0.067 -8.072 0.749
157 HB3 ASP 21 2HB ASP 21 -0.761 -6.706 1.486
158 H VAL 22 H VAL 22 -2.824 -6.117 -1.554
159 HA VAL 22 HA VAL 22 -2.959 -3.211 -1.469
160 HB VAL 22 HB VAL 22 -4.310 -4.684 -2.969
161 HG11 VAL 22 1HG1 VAL 22 -6.383 -5.678 -2.208
162 HG12 VAL 22 2HG1 VAL 22 -5.034 -6.408 -1.329
163 HG13 VAL 22 3HG1 VAL 22 -6.066 -5.198 -0.533
164 HG21 VAL 22 3HG2 VAL 22 -6.304 -3.284 -2.900
165 HG22 VAL 22 1HG2 VAL 22 -5.913 -2.753 -1.253
166 HG23 VAL 22 2HG2 VAL 22 -4.854 -2.310 -2.609
167 H LYS 23 H LYS 23 -3.648 -5.799 0.798
168 HA LYS 23 HA LYS 23 -4.958 -4.278 2.873
169 HB2 LYS 23 1HB LYS 23 -3.128 -6.694 3.062
170 HB3 LYS 23 2HB LYS 23 -4.194 -6.112 4.349
171 HG2 LYS 23 1HG LYS 23 -6.186 -6.605 3.034
172 HG3 LYS 23 2HG LYS 23 -5.227 -6.973 1.608
173 HD2 LYS 23 1HD LYS 23 -4.076 -8.756 3.274
174 HD3 LYS 23 2HD LYS 23 -5.627 -8.584 4.103
175 HE2 LYS 23 1HE LYS 23 -5.863 -10.426 2.595
176 HE3 LYS 23 2HE LYS 23 -6.753 -9.083 1.866
177 HZ1 LYS 23 3HZ LYS 23 -3.985 -9.929 1.121
178 HZ2 LYS 23 1HZ LYS 23 -4.708 -8.664 0.490
179 HZ3 LYS 23 2HZ LYS 23 -5.335 -10.167 0.208
180 H ASN 24 H ASN 24 -1.515 -4.877 2.179
181 HA ASN 24 HA ASN 24 -0.523 -3.410 4.488
182 HB2 ASN 24 1HB ASN 24 0.832 -4.437 1.959
183 HB3 ASN 24 2HB ASN 24 1.679 -3.666 3.297
184 HD21 ASN 24 1HD2 ASN 24 2.339 -6.311 2.490
185 HD22 ASN 24 2HD2 ASN 24 1.843 -7.359 3.805
186 H LEU 25 H LEU 25 -1.063 -2.562 1.053
187 HA LEU 25 HA LEU 25 -0.200 0.153 1.247
188 HB2 LEU 25 1HB LEU 25 -0.585 -0.862 -0.902
189 HB3 LEU 25 2HB LEU 25 -2.256 -1.249 -0.496
190 HG LEU 25 HG LEU 25 -2.869 1.118 -0.474
191 HD11 LEU 25 1HD1 LEU 25 -0.695 2.140 0.201
192 HD12 LEU 25 2HD1 LEU 25 -1.288 2.822 -1.306
193 HD13 LEU 25 3HD1 LEU 25 0.022 1.624 -1.337
194 HD21 LEU 25 3HD2 LEU 25 -2.736 1.562 -2.825
195 HD22 LEU 25 1HD2 LEU 25 -2.950 -0.185 -2.603
196 HD23 LEU 25 2HD2 LEU 25 -1.348 0.485 -3.014
197 H ILE 26 H ILE 26 -3.505 -1.241 1.841
198 HA ILE 26 HA ILE 26 -4.651 1.300 2.480
199 HB ILE 26 HB ILE 26 -5.528 -1.544 3.005
200 HG12 ILE 26 1HG1 ILE 26 -6.674 0.651 1.204
201 HG13 ILE 26 2HG1 ILE 26 -5.437 -0.464 0.651
202 HG21 ILE 26 1HG2 ILE 26 -6.529 -0.206 4.819
203 HG22 ILE 26 2HG2 ILE 26 -7.052 1.028 3.652
204 HG23 ILE 26 3HG2 ILE 26 -7.765 -0.600 3.636
205 HD11 ILE 26 3HD1 ILE 26 -8.242 -1.234 1.529
206 HD12 ILE 26 1HD1 ILE 26 -7.560 -1.258 -0.106
207 HD13 ILE 26 2HD1 ILE 26 -6.945 -2.387 1.119
208 H LYS 27 H LYS 27 -3.158 -1.150 4.635
209 HA LYS 27 HA LYS 27 -3.593 0.291 7.093
210 HB2 LYS 27 1HB LYS 27 -1.473 -1.699 6.212
211 HB3 LYS 27 2HB LYS 27 -1.520 -1.024 7.844
212 HG2 LYS 27 1HG LYS 27 -3.772 -1.892 8.227
213 HG3 LYS 27 2HG LYS 27 -3.842 -2.560 6.598
214 HD2 LYS 27 1HD LYS 27 -1.877 -3.400 8.781
215 HD3 LYS 27 2HD LYS 27 -3.337 -4.283 8.299
216 HE2 LYS 27 1HE LYS 27 -2.420 -4.514 5.989
217 HE3 LYS 27 2HE LYS 27 -0.945 -3.687 6.506
218 HZ1 LYS 27 3HZ LYS 27 -0.623 -6.045 6.531
219 HZ2 LYS 27 1HZ LYS 27 -1.887 -6.297 7.549
220 HZ3 LYS 27 2HZ LYS 27 -0.552 -5.510 8.077
221 H HIS 28 H HIS 28 -1.061 0.677 4.605
222 HA HIS 28 HA HIS 28 0.382 2.731 6.063
223 HB2 HIS 28 1HB HIS 28 1.567 1.661 4.332
224 HB3 HIS 28 2HB HIS 28 0.282 1.879 3.158
225 HD1 HIS 28 1HD HIS 28 2.694 4.187 5.140
226 HD2 HIS 28 2HD HIS 28 0.472 3.930 1.580
227 HE1 HIS 28 1HE HIS 28 3.263 6.277 3.825
228 H ILE 29 H ILE 29 -2.115 2.950 3.452
229 HA ILE 29 HA ILE 29 -2.281 5.749 3.350
230 HB ILE 29 HB ILE 29 -4.373 3.622 2.801
231 HG12 ILE 29 1HG1 ILE 29 -2.799 5.416 0.889
232 HG13 ILE 29 2HG1 ILE 29 -2.270 3.807 1.351
233 HG21 ILE 29 1HG2 ILE 29 -4.566 6.613 2.209
234 HG22 ILE 29 2HG2 ILE 29 -5.691 5.377 1.609
235 HG23 ILE 29 3HG2 ILE 29 -5.610 5.691 3.322
236 HD11 ILE 29 3HD1 ILE 29 -4.815 4.475 -0.183
237 HD12 ILE 29 1HD1 ILE 29 -3.380 3.654 -0.782
238 HD13 ILE 29 2HD1 ILE 29 -4.404 2.855 0.431
239 H ARG 30 H ARG 30 -4.305 3.602 5.421
240 HA ARG 30 HA ARG 30 -5.733 5.803 6.603
241 HB2 ARG 30 1HB ARG 30 -6.777 4.181 7.972
242 HB3 ARG 30 2HB ARG 30 -6.492 3.408 6.408
243 HG2 ARG 30 1HG ARG 30 -4.389 2.382 7.435
244 HG3 ARG 30 2HG ARG 30 -4.954 2.956 9.001
245 HD2 ARG 30 1HD ARG 30 -6.481 1.095 7.136
246 HD3 ARG 30 2HD ARG 30 -5.555 0.587 8.560
247 HE ARG 30 HE ARG 30 -7.347 2.483 9.532
248 HH11 ARG 30 2HH1 ARG 30 -7.709 -0.627 7.957
249 HH12 ARG 30 1HH1 ARG 30 -9.253 -0.926 8.710
250 HH21 ARG 30 2HH2 ARG 30 -9.319 2.040 10.447
251 HH22 ARG 30 1HH2 ARG 30 -10.130 0.544 10.085
252 H ASP 31 H ASP 31 -2.567 4.768 7.297
253 HA ASP 31 HA ASP 31 -2.562 6.043 9.988
254 HB2 ASP 31 1HB ASP 31 -1.501 3.828 9.672
255 HB3 ASP 31 2HB ASP 31 -0.397 4.522 8.487
256 H ALA 32 H ALA 32 -1.025 6.352 6.773
257 HA ALA 32 HA ALA 32 0.489 8.718 7.625
258 HB1 ALA 32 1HB ALA 32 0.486 7.124 5.035
259 HB2 ALA 32 2HB ALA 32 1.678 8.349 5.515
260 HB3 ALA 32 3HB ALA 32 1.544 6.838 6.437
261 H HIS 33 H HIS 33 -2.359 8.162 5.606
262 HA HIS 33 HA HIS 33 -2.254 11.012 4.654
263 HB2 HIS 33 1HB HIS 33 -3.078 8.593 3.018
264 HB3 HIS 33 2HB HIS 33 -2.945 10.257 2.462
265 HD1 HIS 33 1HD HIS 33 -0.132 11.172 2.969
266 HD2 HIS 33 2HD HIS 33 -1.101 7.151 2.245
267 HE1 HIS 33 1HE HIS 33 2.014 10.080 2.144
268 H ASP 34 H ASP 34 -4.382 8.221 5.228
269 HA ASP 34 HA ASP 34 -6.627 7.978 5.391
270 HB2 ASP 34 1HB ASP 34 -5.765 8.438 7.611
271 HB3 ASP 34 2HB ASP 34 -6.106 10.151 7.422
272 HA PRO 35 HA PRO 35 -7.949 11.555 2.682
273 HB2 PRO 35 1HB PRO 35 -8.539 10.201 0.392
274 HB3 PRO 35 2HB PRO 35 -6.859 10.620 0.848
275 HG2 PRO 35 1HG PRO 35 -8.315 7.994 1.350
276 HG3 PRO 35 2HG PRO 35 -6.719 8.231 0.568
277 HD2 PRO 35 1HD PRO 35 -6.931 7.637 3.206
278 HD3 PRO 35 2HD PRO 35 -5.689 8.788 2.619
279 H GLN 36 H GLN 36 -10.056 11.955 1.630
280 HA GLN 36 HA GLN 36 -12.282 10.881 3.176
281 HB2 GLN 36 1HB GLN 36 -11.910 13.309 2.607
282 HB3 GLN 36 2HB GLN 36 -12.334 12.931 0.935
283 HG2 GLN 36 1HG GLN 36 -14.580 12.094 1.774
284 HG3 GLN 36 2HG GLN 36 -14.101 12.561 3.407
285 HE21 GLN 36 1HE2 GLN 36 -14.737 13.868 0.106
286 HE22 GLN 36 2HE2 GLN 36 -15.135 15.483 0.680
287 H ASP 37 H ASP 37 -11.674 8.693 2.226
288 HA ASP 37 HA ASP 37 -12.569 7.943 -0.429
289 HB2 ASP 37 1HB ASP 37 -10.811 6.738 0.773
290 HB3 ASP 37 2HB ASP 37 -11.944 6.290 2.042
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 12.521 -17.347 -1.724
2 H2 GLY 1 2H GLY 1 13.166 -17.729 -3.181
3 H3 GLY 1 3H GLY 1 11.630 -17.164 -3.085
4 HA2 GLY 1 1HA GLY 1 14.055 -15.627 -2.412
5 HA3 GLY 1 2HA GLY 1 13.109 -15.442 -3.901
6 H SER 2 H SER 2 13.724 -13.589 -1.556
7 HA SER 2 HA SER 2 11.242 -13.174 -0.132
8 HB2 SER 2 1HB SER 2 13.663 -11.354 -0.361
9 HB3 SER 2 2HB SER 2 12.409 -11.295 0.888
10 HG SER 2 HG SER 2 13.082 -13.337 1.615
11 H SER 3 H SER 3 12.305 -11.994 -3.217
12 HA SER 3 HA SER 3 11.049 -9.437 -3.237
13 HB2 SER 3 1HB SER 3 11.681 -11.263 -5.585
14 HB3 SER 3 2HB SER 3 11.366 -9.519 -5.660
15 HG SER 3 HG SER 3 13.618 -9.995 -5.625
16 H GLY 4 H GLY 4 9.114 -8.683 -4.062
17 HA2 GLY 4 1HA GLY 4 6.791 -10.335 -3.772
18 HA3 GLY 4 2HA GLY 4 6.834 -8.668 -4.342
19 H SER 5 H SER 5 8.797 -10.172 -6.496
20 HA SER 5 HA SER 5 7.025 -10.017 -8.685
21 HB2 SER 5 1HB SER 5 9.648 -11.537 -8.499
22 HB3 SER 5 2HB SER 5 8.876 -10.924 -9.975
23 HG SER 5 HG SER 5 10.554 -9.549 -9.129
24 H SER 6 H SER 6 7.227 -12.621 -6.459
25 HA SER 6 HA SER 6 6.257 -14.726 -8.240
26 HB2 SER 6 1HB SER 6 5.921 -15.958 -6.122
27 HB3 SER 6 2HB SER 6 7.558 -15.297 -6.278
28 HG SER 6 HG SER 6 6.658 -14.913 -4.193
29 H GLY 7 H GLY 7 4.760 -11.970 -6.898
30 HA2 GLY 7 1HA GLY 7 2.042 -12.990 -7.526
31 HA3 GLY 7 2HA GLY 7 2.353 -12.411 -5.891
32 H ILE 8 H ILE 8 0.800 -10.770 -6.160
33 HA ILE 8 HA ILE 8 0.989 -8.776 -8.260
34 HB ILE 8 HB ILE 8 -0.837 -7.708 -7.388
35 HG12 ILE 8 1HG1 ILE 8 -0.419 -7.604 -5.020
36 HG13 ILE 8 2HG1 ILE 8 -2.012 -8.203 -5.414
37 HG21 ILE 8 1HG2 ILE 8 -1.312 -10.702 -7.156
38 HG22 ILE 8 2HG2 ILE 8 -2.526 -9.449 -7.466
39 HG23 ILE 8 3HG2 ILE 8 -1.248 -9.753 -8.652
40 HD11 ILE 8 3HD1 ILE 8 -1.127 -9.394 -3.487
41 HD12 ILE 8 1HD1 ILE 8 -1.290 -10.529 -4.835
42 HD13 ILE 8 2HD1 ILE 8 0.312 -9.885 -4.388
43 H LYS 9 H LYS 9 1.272 -6.526 -8.007
44 HA LYS 9 HA LYS 9 2.756 -5.563 -5.606
45 HB2 LYS 9 1HB LYS 9 3.550 -5.031 -8.499
46 HB3 LYS 9 2HB LYS 9 4.217 -4.202 -7.086
47 HG2 LYS 9 1HG LYS 9 5.064 -6.363 -6.201
48 HG3 LYS 9 2HG LYS 9 4.426 -7.196 -7.633
49 HD2 LYS 9 1HD LYS 9 5.880 -5.787 -9.087
50 HD3 LYS 9 2HD LYS 9 6.574 -5.028 -7.634
51 HE2 LYS 9 1HE LYS 9 7.352 -7.235 -6.837
52 HE3 LYS 9 2HE LYS 9 6.582 -8.021 -8.220
53 HZ1 LYS 9 3HZ LYS 9 8.861 -6.121 -8.373
54 HZ2 LYS 9 1HZ LYS 9 8.110 -6.768 -9.675
55 HZ3 LYS 9 2HZ LYS 9 8.923 -7.738 -8.645
56 H GLN 10 H GLN 10 2.317 -3.553 -4.972
57 HA GLN 10 HA GLN 10 0.314 -1.887 -6.437
58 HB2 GLN 10 1HB GLN 10 0.323 -2.620 -3.475
59 HB3 GLN 10 2HB GLN 10 -0.744 -1.440 -4.223
60 HG2 GLN 10 1HG GLN 10 -0.719 -4.420 -4.868
61 HG3 GLN 10 2HG GLN 10 -1.835 -3.620 -3.781
62 HE21 GLN 10 1HE2 GLN 10 -2.967 -5.056 -5.803
63 HE22 GLN 10 2HE2 GLN 10 -3.625 -3.955 -7.003
64 H HIS 11 H HIS 11 0.317 0.400 -5.739
65 HA HIS 11 HA HIS 11 2.583 1.210 -4.063
66 HB2 HIS 11 1HB HIS 11 3.441 2.882 -5.492
67 HB3 HIS 11 2HB HIS 11 3.410 1.384 -6.407
68 HD1 HIS 11 1HD HIS 11 1.532 4.772 -6.200
69 HD2 HIS 11 2HD HIS 11 1.941 1.358 -8.640
70 HE1 HIS 11 1HE HIS 11 0.373 5.321 -8.401
71 H CYS 12 H CYS 12 2.426 3.183 -3.037
72 HA CYS 12 HA CYS 12 -0.188 4.117 -2.321
73 HB2 CYS 12 1HB CYS 12 1.737 4.103 -0.823
74 HB3 CYS 12 2HB CYS 12 2.580 5.273 -1.851
75 H ARG 13 H ARG 13 -1.239 5.911 -2.750
76 HA ARG 13 HA ARG 13 -0.955 7.155 -5.412
77 HB2 ARG 13 1HB ARG 13 -3.146 6.423 -4.682
78 HB3 ARG 13 2HB ARG 13 -2.988 7.259 -3.145
79 HG2 ARG 13 1HG ARG 13 -4.544 8.426 -4.547
80 HG3 ARG 13 2HG ARG 13 -3.150 9.443 -4.254
81 HD2 ARG 13 1HD ARG 13 -2.245 8.705 -6.543
82 HD3 ARG 13 2HD ARG 13 -3.771 7.863 -6.790
83 HE ARG 13 HE ARG 13 -4.838 9.888 -7.178
84 HH11 ARG 13 2HH1 ARG 13 -1.677 10.667 -5.817
85 HH12 ARG 13 1HH1 ARG 13 -1.839 12.352 -6.240
86 HH21 ARG 13 2HH2 ARG 13 -4.957 12.048 -7.642
87 HH22 ARG 13 1HH2 ARG 13 -3.646 13.109 -7.222
88 H PHE 14 H PHE 14 -0.234 7.967 -2.124
89 HA PHE 14 HA PHE 14 -0.047 10.878 -2.743
90 HB2 PHE 14 1HB PHE 14 -0.174 9.462 -0.084
91 HB3 PHE 14 2HB PHE 14 -0.373 11.182 -0.369
92 HD1 PHE 14 2HD PHE 14 -2.422 11.943 -1.777
93 HD2 PHE 14 1HD PHE 14 -2.012 7.952 -0.192
94 HE1 PHE 14 2HE PHE 14 -4.852 11.548 -2.123
95 HE2 PHE 14 1HE PHE 14 -4.438 7.565 -0.531
96 HZ PHE 14 HZ PHE 14 -5.858 9.355 -1.515
97 H CYS 15 H CYS 15 1.989 8.239 -1.546
98 HA CYS 15 HA CYS 15 4.328 10.080 -1.689
99 HB2 CYS 15 1HB CYS 15 5.333 9.149 0.241
100 HB3 CYS 15 2HB CYS 15 3.741 9.784 0.645
101 H LYS 16 H LYS 16 3.025 7.500 -3.139
102 HA LYS 16 HA LYS 16 3.694 5.883 -4.561
103 HB2 LYS 16 1HB LYS 16 6.072 7.715 -4.953
104 HB3 LYS 16 2HB LYS 16 5.560 6.424 -6.046
105 HG2 LYS 16 1HG LYS 16 3.360 7.550 -6.363
106 HG3 LYS 16 2HG LYS 16 3.883 8.860 -5.299
107 HD2 LYS 16 1HD LYS 16 4.132 9.595 -7.559
108 HD3 LYS 16 2HD LYS 16 5.746 9.386 -6.864
109 HE2 LYS 16 1HE LYS 16 5.956 7.192 -8.014
110 HE3 LYS 16 2HE LYS 16 4.318 7.364 -8.658
111 HZ1 LYS 16 3HZ LYS 16 5.990 8.042 -10.285
112 HZ2 LYS 16 1HZ LYS 16 6.594 9.176 -9.280
113 HZ3 LYS 16 2HZ LYS 16 5.081 9.332 -9.880
114 H LYS 17 H LYS 17 4.761 5.545 -1.710
115 HA LYS 17 HA LYS 17 6.941 3.681 -1.831
116 HB2 LYS 17 1HB LYS 17 4.535 3.952 0.022
117 HB3 LYS 17 2HB LYS 17 5.792 2.728 0.260
118 HG2 LYS 17 1HG LYS 17 7.506 4.497 0.412
119 HG3 LYS 17 2HG LYS 17 6.250 5.726 0.170
120 HD2 LYS 17 1HD LYS 17 5.081 4.773 2.231
121 HD3 LYS 17 2HD LYS 17 6.523 3.797 2.522
122 HE2 LYS 17 1HE LYS 17 6.424 6.849 2.332
123 HE3 LYS 17 2HE LYS 17 6.426 5.934 3.843
124 HZ1 LYS 17 3HZ LYS 17 8.623 5.057 3.237
125 HZ2 LYS 17 1HZ LYS 17 8.653 6.687 3.305
126 HZ3 LYS 17 2HZ LYS 17 8.636 5.940 1.858
127 H LYS 18 H LYS 18 6.960 1.475 -1.961
128 HA LYS 18 HA LYS 18 4.757 0.276 -3.611
129 HB2 LYS 18 1HB LYS 18 7.726 -0.350 -3.598
130 HB3 LYS 18 2HB LYS 18 6.501 -1.229 -4.525
131 HG2 LYS 18 1HG LYS 18 5.878 0.867 -5.710
132 HG3 LYS 18 2HG LYS 18 7.140 1.741 -4.822
133 HD2 LYS 18 1HD LYS 18 8.866 0.247 -5.797
134 HD3 LYS 18 2HD LYS 18 7.603 -0.610 -6.708
135 HE2 LYS 18 1HE LYS 18 6.991 1.509 -7.851
136 HE3 LYS 18 2HE LYS 18 8.232 2.371 -6.933
137 HZ1 LYS 18 3HZ LYS 18 9.911 0.964 -8.006
138 HZ2 LYS 18 1HZ LYS 18 9.037 1.750 -9.137
139 HZ3 LYS 18 2HZ LYS 18 8.765 0.166 -8.857
140 H TYR 19 H TYR 19 3.876 -1.628 -3.223
141 HA TYR 19 HA TYR 19 4.563 -3.100 -0.712
142 HB2 TYR 19 1HB TYR 19 1.851 -2.052 -1.618
143 HB3 TYR 19 2HB TYR 19 2.076 -3.218 -0.323
144 HD1 TYR 19 1HD TYR 19 2.682 0.316 -1.335
145 HD2 TYR 19 2HD TYR 19 2.871 -2.584 1.856
146 HE1 TYR 19 1HE TYR 19 3.226 2.130 0.290
147 HE2 TYR 19 2HE TYR 19 3.393 -0.769 3.476
148 HH TYR 19 HH TYR 19 3.882 1.457 3.740
149 H SER 20 H SER 20 4.175 -5.287 -0.687
150 HA SER 20 HA SER 20 3.496 -6.657 -3.220
151 HB2 SER 20 1HB SER 20 4.207 -8.682 -1.968
152 HB3 SER 20 2HB SER 20 5.454 -7.428 -2.059
153 HG SER 20 HG SER 20 5.235 -8.306 0.068
154 H ASP 21 H ASP 21 1.692 -5.402 -0.748
155 HA ASP 21 HA ASP 21 -0.579 -7.246 -1.184
156 HB2 ASP 21 1HB ASP 21 0.503 -8.210 0.756
157 HB3 ASP 21 2HB ASP 21 0.703 -6.623 1.500
158 H VAL 22 H VAL 22 -2.497 -6.222 -1.239
159 HA VAL 22 HA VAL 22 -2.547 -3.333 -1.256
160 HB VAL 22 HB VAL 22 -3.841 -4.880 -2.748
161 HG11 VAL 22 1HG1 VAL 22 -5.848 -5.042 -0.469
162 HG12 VAL 22 2HG1 VAL 22 -6.018 -5.686 -2.109
163 HG13 VAL 22 3HG1 VAL 22 -4.814 -6.385 -1.016
164 HG21 VAL 22 3HG2 VAL 22 -5.428 -2.691 -1.354
165 HG22 VAL 22 1HG2 VAL 22 -4.248 -2.455 -2.659
166 HG23 VAL 22 2HG2 VAL 22 -5.742 -3.355 -2.970
167 H LYS 23 H LYS 23 -3.519 -5.739 1.153
168 HA LYS 23 HA LYS 23 -4.954 -3.811 2.818
169 HB2 LYS 23 1HB LYS 23 -3.810 -6.518 3.607
170 HB3 LYS 23 2HB LYS 23 -4.939 -5.559 4.541
171 HG2 LYS 23 1HG LYS 23 -5.454 -6.858 1.832
172 HG3 LYS 23 2HG LYS 23 -6.075 -7.390 3.381
173 HD2 LYS 23 1HD LYS 23 -6.803 -4.815 1.921
174 HD3 LYS 23 2HD LYS 23 -7.806 -6.243 2.070
175 HE2 LYS 23 1HE LYS 23 -6.906 -4.497 4.411
176 HE3 LYS 23 2HE LYS 23 -8.457 -4.361 3.585
177 HZ1 LYS 23 3HZ LYS 23 -8.670 -5.714 5.573
178 HZ2 LYS 23 1HZ LYS 23 -7.542 -6.773 5.062
179 HZ3 LYS 23 2HZ LYS 23 -8.965 -6.643 4.268
180 H ASN 24 H ASN 24 -1.584 -5.038 2.892
181 HA ASN 24 HA ASN 24 -0.682 -3.421 5.042
182 HB2 ASN 24 1HB ASN 24 0.553 -5.280 3.800
183 HB3 ASN 24 2HB ASN 24 0.880 -4.123 2.516
184 HD21 ASN 24 1HD2 ASN 24 3.100 -5.088 3.343
185 HD22 ASN 24 2HD2 ASN 24 3.899 -4.083 4.542
186 H LEU 25 H LEU 25 -0.885 -2.595 1.534
187 HA LEU 25 HA LEU 25 -0.016 0.100 1.751
188 HB2 LEU 25 1HB LEU 25 -0.117 -0.962 -0.382
189 HB3 LEU 25 2HB LEU 25 -1.818 -1.364 -0.198
190 HG LEU 25 HG LEU 25 -2.467 0.985 -0.376
191 HD11 LEU 25 1HD1 LEU 25 0.477 1.578 -0.956
192 HD12 LEU 25 2HD1 LEU 25 -0.337 2.015 0.556
193 HD13 LEU 25 3HD1 LEU 25 -0.883 2.721 -0.954
194 HD21 LEU 25 3HD2 LEU 25 -2.261 -0.395 -2.413
195 HD22 LEU 25 1HD2 LEU 25 -0.577 0.159 -2.603
196 HD23 LEU 25 2HD2 LEU 25 -1.920 1.315 -2.726
197 H ILE 26 H ILE 26 -3.399 -1.187 1.962
198 HA ILE 26 HA ILE 26 -4.589 1.375 2.408
199 HB ILE 26 HB ILE 26 -5.491 -1.454 2.963
200 HG12 ILE 26 1HG1 ILE 26 -6.545 0.651 1.012
201 HG13 ILE 26 2HG1 ILE 26 -5.219 -0.419 0.590
202 HG21 ILE 26 1HG2 ILE 26 -6.653 -0.085 4.649
203 HG22 ILE 26 2HG2 ILE 26 -7.098 1.107 3.408
204 HG23 ILE 26 3HG2 ILE 26 -7.781 -0.531 3.381
205 HD11 ILE 26 3HD1 ILE 26 -6.660 -2.397 0.970
206 HD12 ILE 26 1HD1 ILE 26 -8.041 -1.310 1.274
207 HD13 ILE 26 2HD1 ILE 26 -7.246 -1.317 -0.310
208 H LYS 27 H LYS 27 -3.297 -1.009 4.745
209 HA LYS 27 HA LYS 27 -3.969 0.448 7.121
210 HB2 LYS 27 1HB LYS 27 -3.318 -1.956 6.984
211 HB3 LYS 27 2HB LYS 27 -1.654 -1.480 6.620
212 HG2 LYS 27 1HG LYS 27 -1.505 -0.327 8.818
213 HG3 LYS 27 2HG LYS 27 -3.176 -0.782 9.178
214 HD2 LYS 27 1HD LYS 27 -0.869 -2.727 8.704
215 HD3 LYS 27 2HD LYS 27 -1.467 -2.213 10.288
216 HE2 LYS 27 1HE LYS 27 -3.716 -3.153 9.733
217 HE3 LYS 27 2HE LYS 27 -3.078 -3.735 8.189
218 HZ1 LYS 27 3HZ LYS 27 -2.095 -4.577 10.866
219 HZ2 LYS 27 1HZ LYS 27 -1.499 -5.113 9.442
220 HZ3 LYS 27 2HZ LYS 27 -3.028 -5.478 9.877
221 H HIS 28 H HIS 28 -1.215 0.776 4.897
222 HA HIS 28 HA HIS 28 0.135 2.832 6.444
223 HB2 HIS 28 1HB HIS 28 1.477 1.744 4.877
224 HB3 HIS 28 2HB HIS 28 0.282 1.819 3.602
225 HD1 HIS 28 1HD HIS 28 2.604 4.310 5.458
226 HD2 HIS 28 2HD HIS 28 0.436 3.769 1.899
227 HE1 HIS 28 1HE HIS 28 3.200 6.281 3.981
228 H ILE 29 H ILE 29 -2.162 3.024 3.648
229 HA ILE 29 HA ILE 29 -2.251 5.839 3.488
230 HB ILE 29 HB ILE 29 -4.329 3.743 2.783
231 HG12 ILE 29 1HG1 ILE 29 -2.572 5.468 0.972
232 HG13 ILE 29 2HG1 ILE 29 -2.087 3.875 1.530
233 HG21 ILE 29 1HG2 ILE 29 -4.404 6.730 2.133
234 HG22 ILE 29 2HG2 ILE 29 -5.494 5.507 1.450
235 HG23 ILE 29 3HG2 ILE 29 -5.560 5.848 3.162
236 HD11 ILE 29 3HD1 ILE 29 -3.007 3.663 -0.687
237 HD12 ILE 29 1HD1 ILE 29 -4.115 2.882 0.459
238 HD13 ILE 29 2HD1 ILE 29 -4.498 4.481 -0.226
239 H ARG 30 H ARG 30 -4.424 3.729 5.434
240 HA ARG 30 HA ARG 30 -5.880 5.934 6.551
241 HB2 ARG 30 1HB ARG 30 -6.913 4.376 8.024
242 HB3 ARG 30 2HB ARG 30 -6.794 3.689 6.413
243 HG2 ARG 30 1HG ARG 30 -5.699 1.936 7.124
244 HG3 ARG 30 2HG ARG 30 -4.447 2.894 7.901
245 HD2 ARG 30 1HD ARG 30 -7.121 2.138 9.143
246 HD3 ARG 30 2HD ARG 30 -5.599 1.313 9.455
247 HE ARG 30 HE ARG 30 -6.484 3.869 10.560
248 HH11 ARG 30 2HH1 ARG 30 -3.518 2.047 9.899
249 HH12 ARG 30 1HH1 ARG 30 -2.645 3.033 11.064
250 HH21 ARG 30 1HH2 ARG 30 -5.155 5.028 11.974
251 HH22 ARG 30 2HH2 ARG 30 -3.461 4.559 12.088
252 H ASP 31 H ASP 31 -2.711 4.995 7.308
253 HA ASP 31 HA ASP 31 -2.803 6.249 10.009
254 HB2 ASP 31 1HB ASP 31 -1.602 3.958 9.281
255 HB3 ASP 31 2HB ASP 31 -0.301 5.045 8.850
256 H ALA 32 H ALA 32 -1.206 6.578 6.836
257 HA ALA 32 HA ALA 32 0.307 8.940 7.749
258 HB1 ALA 32 1HB ALA 32 1.633 8.492 5.736
259 HB2 ALA 32 2HB ALA 32 1.435 7.015 6.702
260 HB3 ALA 32 3HB ALA 32 0.472 7.249 5.224
261 H HIS 33 H HIS 33 -2.420 8.315 5.598
262 HA HIS 33 HA HIS 33 -2.211 11.110 4.511
263 HB2 HIS 33 1HB HIS 33 -3.046 8.628 2.986
264 HB3 HIS 33 2HB HIS 33 -2.845 10.254 2.342
265 HD1 HIS 33 1HD HIS 33 0.003 11.090 3.040
266 HD2 HIS 33 2HD HIS 33 -1.118 7.132 2.205
267 HE1 HIS 33 1HE HIS 33 2.129 9.912 2.285
268 H ASP 34 H ASP 34 -4.420 8.475 5.378
269 HA ASP 34 HA ASP 34 -6.681 8.350 5.506
270 HB2 ASP 34 1HB ASP 34 -7.516 9.500 7.420
271 HB3 ASP 34 2HB ASP 34 -5.902 8.876 7.675
272 HA PRO 35 HA PRO 35 -7.680 11.763 2.500
273 HB2 PRO 35 1HB PRO 35 -8.253 10.334 0.249
274 HB3 PRO 35 2HB PRO 35 -6.577 10.649 0.792
275 HG2 PRO 35 1HG PRO 35 -8.261 8.172 1.340
276 HG3 PRO 35 2HG PRO 35 -6.612 8.241 0.639
277 HD2 PRO 35 1HD PRO 35 -6.974 7.813 3.283
278 HD3 PRO 35 2HD PRO 35 -5.654 8.875 2.702
279 H GLN 36 H GLN 36 -9.558 9.064 3.619
280 HA GLN 36 HA GLN 36 -11.739 8.530 3.694
281 HB2 GLN 36 1HB GLN 36 -11.519 10.669 5.077
282 HB3 GLN 36 2HB GLN 36 -12.355 11.493 3.756
283 HG2 GLN 36 1HG GLN 36 -14.278 9.884 4.047
284 HG3 GLN 36 2HG GLN 36 -13.402 9.111 5.364
285 HE21 GLN 36 1HE2 GLN 36 -15.795 9.871 6.147
286 HE22 GLN 36 2HE2 GLN 36 -15.751 11.391 7.031
287 H ASP 37 H ASP 37 -10.826 8.263 1.192
288 HA ASP 37 HA ASP 37 -13.175 8.787 -0.556
289 HB2 ASP 37 1HB ASP 37 -11.542 10.578 -0.992
290 HB3 ASP 37 2HB ASP 37 -10.281 9.385 -1.277
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 17.014 -16.443 -11.477
2 H2 GLY 1 2H GLY 1 15.818 -16.510 -10.358
3 H3 GLY 1 3H GLY 1 17.370 -16.796 -9.917
4 HA2 GLY 1 1HA GLY 1 18.002 -14.529 -10.402
5 HA3 GLY 1 2HA GLY 1 16.330 -14.217 -10.904
6 H SER 2 H SER 2 17.928 -12.938 -8.758
7 HA SER 2 HA SER 2 16.928 -13.877 -6.193
8 HB2 SER 2 1HB SER 2 18.097 -11.863 -5.337
9 HB3 SER 2 2HB SER 2 19.119 -12.891 -6.355
10 HG SER 2 HG SER 2 19.316 -10.656 -6.888
11 H SER 3 H SER 3 15.646 -11.700 -8.570
12 HA SER 3 HA SER 3 13.306 -11.129 -6.870
13 HB2 SER 3 1HB SER 3 14.957 -9.259 -6.486
14 HB3 SER 3 2HB SER 3 14.838 -8.867 -8.213
15 HG SER 3 HG SER 3 13.393 -7.636 -6.877
16 H GLY 4 H GLY 4 11.494 -10.300 -8.089
17 HA2 GLY 4 1HA GLY 4 11.324 -9.904 -10.863
18 HA3 GLY 4 2HA GLY 4 11.034 -11.625 -10.595
19 H SER 5 H SER 5 9.043 -10.201 -11.721
20 HA SER 5 HA SER 5 7.128 -9.214 -9.717
21 HB2 SER 5 1HB SER 5 6.864 -9.610 -12.715
22 HB3 SER 5 2HB SER 5 5.615 -8.925 -11.657
23 HG SER 5 HG SER 5 8.250 -7.906 -12.067
24 H SER 6 H SER 6 5.481 -10.271 -8.816
25 HA SER 6 HA SER 6 5.168 -13.172 -9.256
26 HB2 SER 6 1HB SER 6 3.986 -13.053 -7.091
27 HB3 SER 6 2HB SER 6 5.594 -12.305 -7.010
28 HG SER 6 HG SER 6 4.013 -10.954 -6.052
29 H GLY 7 H GLY 7 3.590 -10.452 -10.439
30 HA2 GLY 7 1HA GLY 7 1.579 -10.337 -11.672
31 HA3 GLY 7 2HA GLY 7 1.024 -11.848 -10.956
32 H ILE 8 H ILE 8 2.114 -10.103 -8.342
33 HA ILE 8 HA ILE 8 -0.212 -8.291 -8.109
34 HB ILE 8 HB ILE 8 -1.025 -10.218 -7.030
35 HG12 ILE 8 1HG1 ILE 8 -0.156 -8.234 -4.902
36 HG13 ILE 8 2HG1 ILE 8 -1.450 -7.979 -6.085
37 HG21 ILE 8 1HG2 ILE 8 -0.008 -11.388 -5.169
38 HG22 ILE 8 2HG2 ILE 8 1.125 -11.399 -6.513
39 HG23 ILE 8 3HG2 ILE 8 1.376 -10.280 -5.155
40 HD11 ILE 8 3HD1 ILE 8 -2.428 -8.651 -3.979
41 HD12 ILE 8 1HD1 ILE 8 -2.657 -9.962 -5.153
42 HD13 ILE 8 2HD1 ILE 8 -1.406 -10.091 -3.891
43 H LYS 9 H LYS 9 0.567 -6.381 -7.950
44 HA LYS 9 HA LYS 9 2.693 -5.686 -5.994
45 HB2 LYS 9 1HB LYS 9 2.706 -4.832 -8.923
46 HB3 LYS 9 2HB LYS 9 3.766 -4.188 -7.662
47 HG2 LYS 9 1HG LYS 9 4.706 -6.478 -7.303
48 HG3 LYS 9 2HG LYS 9 3.731 -7.076 -8.653
49 HD2 LYS 9 1HD LYS 9 5.892 -4.936 -8.840
50 HD3 LYS 9 2HD LYS 9 6.060 -6.636 -9.304
51 HE2 LYS 9 1HE LYS 9 4.191 -6.319 -10.967
52 HE3 LYS 9 2HE LYS 9 4.181 -4.593 -10.574
53 HZ1 LYS 9 3HZ LYS 9 6.481 -6.100 -11.704
54 HZ2 LYS 9 1HZ LYS 9 6.520 -4.506 -11.315
55 HZ3 LYS 9 2HZ LYS 9 5.552 -5.034 -12.522
56 H GLN 10 H GLN 10 2.464 -3.694 -5.089
57 HA GLN 10 HA GLN 10 0.127 -1.995 -5.869
58 HB2 GLN 10 1HB GLN 10 0.829 -3.201 -3.157
59 HB3 GLN 10 2HB GLN 10 -0.104 -1.732 -3.306
60 HG2 GLN 10 1HG GLN 10 -1.751 -3.331 -3.119
61 HG3 GLN 10 2HG GLN 10 -1.714 -3.005 -4.839
62 HE21 GLN 10 1HE2 GLN 10 -2.889 -5.147 -4.922
63 HE22 GLN 10 2HE2 GLN 10 -1.909 -6.606 -4.876
64 H HIS 11 H HIS 11 0.251 0.224 -5.269
65 HA HIS 11 HA HIS 11 2.659 1.143 -3.905
66 HB2 HIS 11 1HB HIS 11 3.357 2.765 -5.489
67 HB3 HIS 11 2HB HIS 11 3.310 1.213 -6.306
68 HD1 HIS 11 1HD HIS 11 1.403 4.574 -6.193
69 HD2 HIS 11 2HD HIS 11 1.620 0.978 -8.382
70 HE1 HIS 11 1HE HIS 11 0.036 4.940 -8.314
71 H CYS 12 H CYS 12 2.525 3.187 -2.977
72 HA CYS 12 HA CYS 12 -0.087 4.127 -2.193
73 HB2 CYS 12 1HB CYS 12 1.845 4.176 -0.742
74 HB3 CYS 12 2HB CYS 12 2.686 5.292 -1.835
75 H ARG 13 H ARG 13 -1.104 5.956 -2.647
76 HA ARG 13 HA ARG 13 -0.848 7.101 -5.374
77 HB2 ARG 13 1HB ARG 13 -3.034 6.342 -4.656
78 HB3 ARG 13 2HB ARG 13 -2.913 7.218 -3.138
79 HG2 ARG 13 1HG ARG 13 -4.466 8.325 -4.592
80 HG3 ARG 13 2HG ARG 13 -3.094 9.371 -4.301
81 HD2 ARG 13 1HD ARG 13 -2.140 8.595 -6.557
82 HD3 ARG 13 2HD ARG 13 -3.648 7.723 -6.808
83 HE ARG 13 HE ARG 13 -4.739 9.720 -7.264
84 HH11 ARG 13 2HH1 ARG 13 -1.616 10.585 -5.864
85 HH12 ARG 13 1HH1 ARG 13 -1.799 12.257 -6.330
86 HH21 ARG 13 2HH2 ARG 13 -4.884 11.867 -7.782
87 HH22 ARG 13 1HH2 ARG 13 -3.597 12.959 -7.364
88 H PHE 14 H PHE 14 -0.187 7.989 -2.092
89 HA PHE 14 HA PHE 14 -0.048 10.891 -2.760
90 HB2 PHE 14 1HB PHE 14 -0.196 9.510 -0.082
91 HB3 PHE 14 2HB PHE 14 -0.403 11.225 -0.390
92 HD1 PHE 14 2HD PHE 14 -2.419 11.939 -1.884
93 HD2 PHE 14 1HD PHE 14 -2.032 8.004 -0.160
94 HE1 PHE 14 2HE PHE 14 -4.839 11.524 -2.276
95 HE2 PHE 14 1HE PHE 14 -4.449 7.597 -0.545
96 HZ PHE 14 HZ PHE 14 -5.851 9.348 -1.621
97 H CYS 15 H CYS 15 2.024 8.311 -1.511
98 HA CYS 15 HA CYS 15 4.328 10.190 -1.688
99 HB2 CYS 15 1HB CYS 15 5.380 9.292 0.232
100 HB3 CYS 15 2HB CYS 15 3.790 9.919 0.654
101 H LYS 16 H LYS 16 3.044 7.592 -3.104
102 HA LYS 16 HA LYS 16 3.717 6.010 -4.567
103 HB2 LYS 16 1HB LYS 16 6.062 7.884 -4.969
104 HB3 LYS 16 2HB LYS 16 5.526 6.627 -6.088
105 HG2 LYS 16 1HG LYS 16 3.310 7.746 -6.296
106 HG3 LYS 16 2HG LYS 16 3.887 9.055 -5.245
107 HD2 LYS 16 1HD LYS 16 5.701 9.561 -6.857
108 HD3 LYS 16 2HD LYS 16 5.115 8.261 -7.920
109 HE2 LYS 16 1HE LYS 16 2.920 9.410 -8.110
110 HE3 LYS 16 2HE LYS 16 3.499 10.702 -7.050
111 HZ1 LYS 16 3HZ LYS 16 3.710 11.317 -9.390
112 HZ2 LYS 16 1HZ LYS 16 4.660 10.030 -9.704
113 HZ3 LYS 16 2HZ LYS 16 5.195 11.224 -8.725
114 H LYS 17 H LYS 17 4.835 5.638 -1.750
115 HA LYS 17 HA LYS 17 7.073 3.851 -1.954
116 HB2 LYS 17 1HB LYS 17 4.742 4.053 0.002
117 HB3 LYS 17 2HB LYS 17 6.048 2.871 0.182
118 HG2 LYS 17 1HG LYS 17 7.704 4.715 0.212
119 HG3 LYS 17 2HG LYS 17 6.378 5.883 0.060
120 HD2 LYS 17 1HD LYS 17 5.435 5.042 2.228
121 HD3 LYS 17 2HD LYS 17 6.832 3.949 2.376
122 HE2 LYS 17 1HE LYS 17 8.349 5.950 2.243
123 HE3 LYS 17 2HE LYS 17 6.926 6.998 2.190
124 HZ1 LYS 17 3HZ LYS 17 7.816 6.806 4.445
125 HZ2 LYS 17 1HZ LYS 17 7.627 5.186 4.443
126 HZ3 LYS 17 2HZ LYS 17 6.316 6.165 4.400
127 H LYS 18 H LYS 18 7.157 1.642 -2.062
128 HA LYS 18 HA LYS 18 4.976 0.363 -3.673
129 HB2 LYS 18 1HB LYS 18 7.951 -0.225 -3.580
130 HB3 LYS 18 2HB LYS 18 6.759 -1.161 -4.495
131 HG2 LYS 18 1HG LYS 18 6.107 0.889 -5.751
132 HG3 LYS 18 2HG LYS 18 7.365 1.805 -4.914
133 HD2 LYS 18 1HD LYS 18 7.847 -0.620 -6.702
134 HD3 LYS 18 2HD LYS 18 8.027 1.072 -7.190
135 HE2 LYS 18 1HE LYS 18 9.766 1.392 -5.430
136 HE3 LYS 18 2HE LYS 18 9.626 -0.316 -4.991
137 HZ1 LYS 18 3HZ LYS 18 10.479 0.694 -7.653
138 HZ2 LYS 18 1HZ LYS 18 10.346 -0.886 -7.251
139 HZ3 LYS 18 2HZ LYS 18 11.467 0.052 -6.526
140 H TYR 19 H TYR 19 4.141 -1.552 -3.265
141 HA TYR 19 HA TYR 19 4.791 -3.006 -0.750
142 HB2 TYR 19 1HB TYR 19 2.057 -1.945 -1.576
143 HB3 TYR 19 2HB TYR 19 2.353 -3.026 -0.222
144 HD1 TYR 19 2HD TYR 19 3.506 -2.235 1.820
145 HD2 TYR 19 1HD TYR 19 2.651 0.441 -1.457
146 HE1 TYR 19 2HE TYR 19 4.081 -0.286 3.258
147 HE2 TYR 19 1HE TYR 19 3.259 2.387 -0.016
148 HH TYR 19 HH TYR 19 4.352 1.980 3.364
149 H SER 20 H SER 20 3.886 -5.151 -0.639
150 HA SER 20 HA SER 20 3.302 -6.408 -3.303
151 HB2 SER 20 1HB SER 20 4.477 -7.694 -0.819
152 HB3 SER 20 2HB SER 20 4.181 -8.480 -2.379
153 HG SER 20 HG SER 20 5.973 -6.319 -1.865
154 H ASP 21 H ASP 21 1.527 -5.250 -0.906
155 HA ASP 21 HA ASP 21 -0.635 -7.222 -1.178
156 HB2 ASP 21 1HB ASP 21 0.467 -8.175 0.723
157 HB3 ASP 21 2HB ASP 21 0.784 -6.596 1.428
158 H VAL 22 H VAL 22 -2.595 -6.297 -1.112
159 HA VAL 22 HA VAL 22 -2.833 -3.414 -1.144
160 HB VAL 22 HB VAL 22 -4.114 -5.047 -2.541
161 HG11 VAL 22 1HG1 VAL 22 -5.926 -5.373 -0.122
162 HG12 VAL 22 2HG1 VAL 22 -6.169 -6.023 -1.749
163 HG13 VAL 22 3HG1 VAL 22 -4.835 -6.629 -0.758
164 HG21 VAL 22 3HG2 VAL 22 -6.136 -3.679 -2.622
165 HG22 VAL 22 1HG2 VAL 22 -5.771 -3.001 -1.023
166 HG23 VAL 22 2HG2 VAL 22 -4.703 -2.660 -2.400
167 H LYS 23 H LYS 23 -3.458 -5.865 1.329
168 HA LYS 23 HA LYS 23 -4.982 -4.086 3.069
169 HB2 LYS 23 1HB LYS 23 -3.493 -6.634 3.774
170 HB3 LYS 23 2HB LYS 23 -4.643 -5.783 4.800
171 HG2 LYS 23 1HG LYS 23 -6.441 -6.141 3.159
172 HG3 LYS 23 2HG LYS 23 -5.328 -6.980 2.070
173 HD2 LYS 23 1HD LYS 23 -6.011 -7.900 4.890
174 HD3 LYS 23 2HD LYS 23 -6.767 -8.507 3.406
175 HE2 LYS 23 1HE LYS 23 -4.530 -9.244 2.575
176 HE3 LYS 23 2HE LYS 23 -3.794 -8.700 4.084
177 HZ1 LYS 23 3HZ LYS 23 -4.276 -11.074 4.150
178 HZ2 LYS 23 1HZ LYS 23 -5.863 -10.823 3.871
179 HZ3 LYS 23 2HZ LYS 23 -5.187 -10.316 5.269
180 H ASN 24 H ASN 24 -1.516 -5.017 3.003
181 HA ASN 24 HA ASN 24 -0.697 -3.204 5.080
182 HB2 ASN 24 1HB ASN 24 0.708 -4.621 2.801
183 HB3 ASN 24 2HB ASN 24 1.545 -3.354 3.688
184 HD21 ASN 24 1HD2 ASN 24 -0.129 -6.494 4.167
185 HD22 ASN 24 2HD2 ASN 24 0.762 -6.861 5.650
186 H LEU 25 H LEU 25 -1.031 -2.646 1.524
187 HA LEU 25 HA LEU 25 -0.173 0.071 1.568
188 HB2 LEU 25 1HB LEU 25 -0.396 -1.073 -0.523
189 HB3 LEU 25 2HB LEU 25 -2.086 -1.463 -0.214
190 HG LEU 25 HG LEU 25 -2.726 0.904 -0.396
191 HD11 LEU 25 1HD1 LEU 25 -1.112 2.552 -1.267
192 HD12 LEU 25 2HD1 LEU 25 0.209 1.374 -1.122
193 HD13 LEU 25 3HD1 LEU 25 -0.605 1.999 0.324
194 HD21 LEU 25 3HD2 LEU 25 -1.056 0.140 -2.798
195 HD22 LEU 25 1HD2 LEU 25 -2.492 1.164 -2.749
196 HD23 LEU 25 2HD2 LEU 25 -2.650 -0.572 -2.424
197 H ILE 26 H ILE 26 -3.532 -1.241 1.998
198 HA ILE 26 HA ILE 26 -4.696 1.343 2.416
199 HB ILE 26 HB ILE 26 -5.618 -1.462 3.070
200 HG12 ILE 26 1HG1 ILE 26 -6.615 0.606 1.042
201 HG13 ILE 26 2HG1 ILE 26 -5.377 -0.578 0.656
202 HG21 ILE 26 1HG2 ILE 26 -7.881 -0.478 3.499
203 HG22 ILE 26 2HG2 ILE 26 -6.716 0.007 4.719
204 HG23 ILE 26 3HG2 ILE 26 -7.167 1.149 3.434
205 HD11 ILE 26 3HD1 ILE 26 -6.964 -2.421 1.183
206 HD12 ILE 26 1HD1 ILE 26 -8.250 -1.207 1.408
207 HD13 ILE 26 2HD1 ILE 26 -7.465 -1.384 -0.168
208 H LYS 27 H LYS 27 -3.335 -0.999 4.758
209 HA LYS 27 HA LYS 27 -3.897 0.513 7.122
210 HB2 LYS 27 1HB LYS 27 -3.207 -1.875 7.031
211 HB3 LYS 27 2HB LYS 27 -1.574 -1.382 6.559
212 HG2 LYS 27 1HG LYS 27 -1.325 -0.145 8.698
213 HG3 LYS 27 2HG LYS 27 -2.966 -0.605 9.167
214 HD2 LYS 27 1HD LYS 27 -0.666 -2.547 8.647
215 HD3 LYS 27 2HD LYS 27 -1.177 -1.968 10.239
216 HE2 LYS 27 1HE LYS 27 -3.446 -2.946 9.853
217 HE3 LYS 27 2HE LYS 27 -2.888 -3.597 8.307
218 HZ1 LYS 27 3HZ LYS 27 -1.754 -4.302 10.963
219 HZ2 LYS 27 1HZ LYS 27 -1.228 -4.901 9.536
220 HZ3 LYS 27 2HZ LYS 27 -2.728 -5.257 10.069
221 H HIS 28 H HIS 28 -1.129 0.721 4.852
222 HA HIS 28 HA HIS 28 0.224 2.848 6.246
223 HB2 HIS 28 1HB HIS 28 1.470 1.677 4.616
224 HB3 HIS 28 2HB HIS 28 0.239 1.869 3.378
225 HD1 HIS 28 1HD HIS 28 2.620 4.215 5.358
226 HD2 HIS 28 2HD HIS 28 0.506 3.860 1.741
227 HE1 HIS 28 1HE HIS 28 3.243 6.258 3.992
228 H ILE 29 H ILE 29 -2.177 2.991 3.534
229 HA ILE 29 HA ILE 29 -2.265 5.800 3.343
230 HB ILE 29 HB ILE 29 -4.374 3.712 2.718
231 HG12 ILE 29 1HG1 ILE 29 -2.641 5.407 0.853
232 HG13 ILE 29 2HG1 ILE 29 -2.168 3.809 1.405
233 HG21 ILE 29 1HG2 ILE 29 -4.435 6.695 2.043
234 HG22 ILE 29 2HG2 ILE 29 -5.554 5.478 1.397
235 HG23 ILE 29 3HG2 ILE 29 -5.575 5.833 3.106
236 HD11 ILE 29 3HD1 ILE 29 -4.245 2.846 0.386
237 HD12 ILE 29 1HD1 ILE 29 -4.606 4.450 -0.303
238 HD13 ILE 29 2HD1 ILE 29 -3.143 3.598 -0.788
239 H ARG 30 H ARG 30 -4.447 3.742 5.350
240 HA ARG 30 HA ARG 30 -5.848 6.023 6.421
241 HB2 ARG 30 1HB ARG 30 -7.036 4.479 7.754
242 HB3 ARG 30 2HB ARG 30 -6.703 3.662 6.222
243 HG2 ARG 30 1HG ARG 30 -4.713 2.567 7.375
244 HG3 ARG 30 2HG ARG 30 -5.324 3.197 8.900
245 HD2 ARG 30 1HD ARG 30 -6.839 1.365 6.996
246 HD3 ARG 30 2HD ARG 30 -6.004 0.846 8.471
247 HE ARG 30 HE ARG 30 -7.783 2.855 9.281
248 HH11 ARG 30 2HH1 ARG 30 -8.123 -0.335 7.870
249 HH12 ARG 30 1HH1 ARG 30 -9.699 -0.575 8.576
250 HH21 ARG 30 2HH2 ARG 30 -9.798 2.485 10.138
251 HH22 ARG 30 1HH2 ARG 30 -10.611 0.980 9.830
252 H ASP 31 H ASP 31 -2.774 4.836 7.310
253 HA ASP 31 HA ASP 31 -2.844 6.159 9.967
254 HB2 ASP 31 1HB ASP 31 -1.799 3.934 9.706
255 HB3 ASP 31 2HB ASP 31 -0.646 4.605 8.555
256 H ALA 32 H ALA 32 -1.152 6.440 6.824
257 HA ALA 32 HA ALA 32 0.329 8.805 7.745
258 HB1 ALA 32 1HB ALA 32 1.440 6.900 6.637
259 HB2 ALA 32 2HB ALA 32 0.479 7.194 5.168
260 HB3 ALA 32 3HB ALA 32 1.648 8.409 5.725
261 H HIS 33 H HIS 33 -2.406 8.240 5.588
262 HA HIS 33 HA HIS 33 -2.214 11.065 4.580
263 HB2 HIS 33 1HB HIS 33 -3.031 8.620 2.982
264 HB3 HIS 33 2HB HIS 33 -2.846 10.265 2.388
265 HD1 HIS 33 1HD HIS 33 -0.023 11.130 3.031
266 HD2 HIS 33 2HD HIS 33 -1.066 7.140 2.243
267 HE1 HIS 33 1HE HIS 33 2.123 9.986 2.280
268 H ASP 34 H ASP 34 -4.438 8.342 5.149
269 HA ASP 34 HA ASP 34 -6.702 8.181 5.282
270 HB2 ASP 34 1HB ASP 34 -5.887 8.646 7.507
271 HB3 ASP 34 2HB ASP 34 -6.088 10.374 7.264
272 HA PRO 35 HA PRO 35 -7.571 11.790 2.478
273 HB2 PRO 35 1HB PRO 35 -8.344 10.474 0.203
274 HB3 PRO 35 2HB PRO 35 -6.634 10.708 0.676
275 HG2 PRO 35 1HG PRO 35 -8.378 8.267 1.177
276 HG3 PRO 35 2HG PRO 35 -6.739 8.318 0.456
277 HD2 PRO 35 1HD PRO 35 -7.090 7.782 3.085
278 HD3 PRO 35 2HD PRO 35 -5.733 8.812 2.536
279 H GLN 36 H GLN 36 -9.677 8.982 3.057
280 HA GLN 36 HA GLN 36 -11.948 10.673 3.625
281 HB2 GLN 36 1HB GLN 36 -13.494 9.788 1.920
282 HB3 GLN 36 2HB GLN 36 -12.213 10.767 1.230
283 HG2 GLN 36 1HG GLN 36 -11.016 8.689 0.512
284 HG3 GLN 36 2HG GLN 36 -12.333 7.718 1.182
285 HE21 GLN 36 1HE2 GLN 36 -11.603 10.227 -1.311
286 HE22 GLN 36 2HE2 GLN 36 -12.952 9.765 -2.340
287 H ASP 37 H ASP 37 -10.733 7.359 3.132
288 HA ASP 37 HA ASP 37 -12.338 6.339 5.390
289 HB2 ASP 37 1HB ASP 37 -13.776 6.066 3.393
290 HB3 ASP 37 2HB ASP 37 -12.482 5.211 2.564
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 17.638 -8.314 4.342
2 H2 GLY 1 2H GLY 1 16.034 -8.404 4.670
3 H3 GLY 1 3H GLY 1 16.559 -7.515 3.400
4 HA2 GLY 1 1HA GLY 1 17.353 -9.483 2.264
5 HA3 GLY 1 2HA GLY 1 16.781 -10.446 3.639
6 H SER 2 H SER 2 15.762 -11.370 1.485
7 HA SER 2 HA SER 2 13.488 -10.086 0.331
8 HB2 SER 2 1HB SER 2 14.145 -13.051 0.476
9 HB3 SER 2 2HB SER 2 12.999 -12.280 -0.637
10 HG SER 2 HG SER 2 15.064 -12.616 -1.602
11 H SER 3 H SER 3 11.266 -10.446 0.550
12 HA SER 3 HA SER 3 10.256 -10.718 3.201
13 HB2 SER 3 1HB SER 3 8.735 -10.852 0.569
14 HB3 SER 3 2HB SER 3 8.049 -10.498 2.164
15 HG SER 3 HG SER 3 9.304 -8.596 2.234
16 H GLY 4 H GLY 4 9.132 -12.302 4.261
17 HA2 GLY 4 1HA GLY 4 9.464 -15.085 3.449
18 HA3 GLY 4 2HA GLY 4 8.703 -14.478 4.920
19 H SER 5 H SER 5 7.085 -12.830 2.626
20 HA SER 5 HA SER 5 5.116 -14.904 1.848
21 HB2 SER 5 1HB SER 5 3.265 -13.562 2.745
22 HB3 SER 5 2HB SER 5 4.364 -14.084 4.028
23 HG SER 5 HG SER 5 3.802 -11.874 4.242
24 H SER 6 H SER 6 3.371 -13.923 0.444
25 HA SER 6 HA SER 6 4.276 -11.675 -1.275
26 HB2 SER 6 1HB SER 6 5.192 -13.825 -2.187
27 HB3 SER 6 2HB SER 6 3.531 -14.420 -2.348
28 HG SER 6 HG SER 6 4.266 -13.539 -4.285
29 H GLY 7 H GLY 7 2.614 -10.730 -2.515
30 HA2 GLY 7 1HA GLY 7 -0.184 -11.604 -2.311
31 HA3 GLY 7 2HA GLY 7 0.219 -10.143 -1.407
32 H ILE 8 H ILE 8 -1.408 -9.196 -2.828
33 HA ILE 8 HA ILE 8 -0.815 -8.838 -5.693
34 HB ILE 8 HB ILE 8 -2.979 -7.529 -4.002
35 HG12 ILE 8 1HG1 ILE 8 -3.344 -9.908 -3.841
36 HG13 ILE 8 2HG1 ILE 8 -4.537 -9.196 -4.904
37 HG21 ILE 8 1HG2 ILE 8 -2.652 -7.831 -7.020
38 HG22 ILE 8 2HG2 ILE 8 -4.105 -7.216 -6.203
39 HG23 ILE 8 3HG2 ILE 8 -2.583 -6.328 -6.084
40 HD11 ILE 8 3HD1 ILE 8 -3.305 -10.067 -6.890
41 HD12 ILE 8 1HD1 ILE 8 -2.093 -10.791 -5.805
42 HD13 ILE 8 2HD1 ILE 8 -3.770 -11.353 -5.767
43 H LYS 9 H LYS 9 1.060 -7.735 -5.895
44 HA LYS 9 HA LYS 9 1.935 -5.680 -4.129
45 HB2 LYS 9 1HB LYS 9 2.937 -6.550 -6.859
46 HB3 LYS 9 2HB LYS 9 3.799 -5.403 -5.819
47 HG2 LYS 9 1HG LYS 9 4.204 -7.015 -4.127
48 HG3 LYS 9 2HG LYS 9 2.958 -8.098 -4.718
49 HD2 LYS 9 1HD LYS 9 4.420 -8.383 -6.849
50 HD3 LYS 9 2HD LYS 9 5.698 -7.610 -5.898
51 HE2 LYS 9 1HE LYS 9 5.984 -9.967 -5.599
52 HE3 LYS 9 2HE LYS 9 5.286 -9.360 -4.095
53 HZ1 LYS 9 3HZ LYS 9 3.836 -10.788 -6.265
54 HZ2 LYS 9 1HZ LYS 9 3.068 -10.122 -4.984
55 HZ3 LYS 9 2HZ LYS 9 4.123 -11.348 -4.758
56 H GLN 10 H GLN 10 1.959 -3.559 -4.146
57 HA GLN 10 HA GLN 10 0.511 -2.014 -6.253
58 HB2 GLN 10 1HB GLN 10 -0.201 -2.340 -3.305
59 HB3 GLN 10 2HB GLN 10 -0.747 -0.974 -4.255
60 HG2 GLN 10 1HG GLN 10 -1.399 -3.866 -4.905
61 HG3 GLN 10 2HG GLN 10 -2.450 -2.755 -4.046
62 HE21 GLN 10 1HE2 GLN 10 -3.507 -3.944 -6.243
63 HE22 GLN 10 2HE2 GLN 10 -3.609 -2.778 -7.554
64 H HIS 11 H HIS 11 0.496 0.371 -5.752
65 HA HIS 11 HA HIS 11 2.684 1.247 -3.987
66 HB2 HIS 11 1HB HIS 11 3.598 2.826 -5.492
67 HB3 HIS 11 2HB HIS 11 3.603 1.262 -6.295
68 HD1 HIS 11 1HD HIS 11 1.585 4.596 -6.365
69 HD2 HIS 11 2HD HIS 11 2.371 1.128 -8.634
70 HE1 HIS 11 1HE HIS 11 0.579 5.002 -8.669
71 H CYS 12 H CYS 12 2.489 3.270 -3.078
72 HA CYS 12 HA CYS 12 -0.115 4.198 -2.424
73 HB2 CYS 12 1HB CYS 12 1.829 4.291 -0.967
74 HB3 CYS 12 2HB CYS 12 2.636 5.425 -2.056
75 H ARG 13 H ARG 13 -1.084 6.109 -2.787
76 HA ARG 13 HA ARG 13 -0.890 7.261 -5.529
77 HB2 ARG 13 1HB ARG 13 -3.044 6.433 -4.734
78 HB3 ARG 13 2HB ARG 13 -2.958 7.443 -3.292
79 HG2 ARG 13 1HG ARG 13 -3.147 9.481 -4.652
80 HG3 ARG 13 2HG ARG 13 -3.099 8.513 -6.135
81 HD2 ARG 13 1HD ARG 13 -5.185 7.334 -5.353
82 HD3 ARG 13 2HD ARG 13 -5.259 8.430 -3.974
83 HE ARG 13 HE ARG 13 -5.976 8.976 -6.754
84 HH11 ARG 13 2HH1 ARG 13 -5.042 10.612 -3.796
85 HH12 ARG 13 1HH1 ARG 13 -5.772 12.114 -4.300
86 HH21 ARG 13 2HH2 ARG 13 -6.880 10.914 -7.320
87 HH22 ARG 13 1HH2 ARG 13 -6.784 12.271 -6.239
88 H PHE 14 H PHE 14 -0.202 8.094 -2.219
89 HA PHE 14 HA PHE 14 -0.126 11.013 -2.835
90 HB2 PHE 14 1HB PHE 14 -0.230 9.558 -0.191
91 HB3 PHE 14 2HB PHE 14 -0.405 11.284 -0.433
92 HD1 PHE 14 2HD PHE 14 -2.498 12.203 -1.459
93 HD2 PHE 14 1HD PHE 14 -2.057 7.999 -0.614
94 HE1 PHE 14 2HE PHE 14 -4.961 11.913 -1.597
95 HE2 PHE 14 1HE PHE 14 -4.515 7.705 -0.779
96 HZ PHE 14 HZ PHE 14 -5.973 9.657 -1.277
97 H CYS 15 H CYS 15 1.985 8.413 -1.685
98 HA CYS 15 HA CYS 15 4.282 10.299 -1.843
99 HB2 CYS 15 1HB CYS 15 5.337 9.374 0.072
100 HB3 CYS 15 2HB CYS 15 3.746 9.996 0.500
101 H LYS 16 H LYS 16 2.976 7.699 -3.250
102 HA LYS 16 HA LYS 16 3.610 6.141 -4.747
103 HB2 LYS 16 1HB LYS 16 6.125 7.764 -5.153
104 HB3 LYS 16 2HB LYS 16 5.303 6.732 -6.316
105 HG2 LYS 16 1HG LYS 16 4.311 9.399 -5.233
106 HG3 LYS 16 2HG LYS 16 4.934 9.055 -6.842
107 HD2 LYS 16 1HD LYS 16 2.975 7.533 -7.257
108 HD3 LYS 16 2HD LYS 16 2.364 7.933 -5.648
109 HE2 LYS 16 1HE LYS 16 1.146 9.275 -7.169
110 HE3 LYS 16 2HE LYS 16 2.236 10.336 -6.281
111 HZ1 LYS 16 3HZ LYS 16 2.228 10.819 -8.670
112 HZ2 LYS 16 1HZ LYS 16 2.723 9.309 -9.033
113 HZ3 LYS 16 2HZ LYS 16 3.716 10.328 -8.225
114 H LYS 17 H LYS 17 4.848 5.809 -1.918
115 HA LYS 17 HA LYS 17 7.000 3.934 -2.134
116 HB2 LYS 17 1HB LYS 17 4.789 4.412 -0.092
117 HB3 LYS 17 2HB LYS 17 6.013 3.158 0.124
118 HG2 LYS 17 1HG LYS 17 7.800 4.874 -0.051
119 HG3 LYS 17 2HG LYS 17 6.556 6.125 -0.241
120 HD2 LYS 17 1HD LYS 17 5.652 5.525 2.016
121 HD3 LYS 17 2HD LYS 17 6.969 4.341 2.198
122 HE2 LYS 17 1HE LYS 17 8.631 6.179 1.900
123 HE3 LYS 17 2HE LYS 17 7.308 7.342 1.739
124 HZ1 LYS 17 3HZ LYS 17 7.846 5.710 4.166
125 HZ2 LYS 17 1HZ LYS 17 6.639 6.805 4.015
126 HZ3 LYS 17 2HZ LYS 17 8.193 7.296 4.004
127 H LYS 18 H LYS 18 7.015 1.708 -2.064
128 HA LYS 18 HA LYS 18 4.697 0.373 -3.421
129 HB2 LYS 18 1HB LYS 18 7.663 -0.227 -3.400
130 HB3 LYS 18 2HB LYS 18 6.481 -1.448 -3.846
131 HG2 LYS 18 1HG LYS 18 7.349 -0.414 -5.839
132 HG3 LYS 18 2HG LYS 18 5.625 -0.070 -5.674
133 HD2 LYS 18 1HD LYS 18 6.111 2.197 -4.906
134 HD3 LYS 18 2HD LYS 18 7.858 1.866 -4.914
135 HE2 LYS 18 1HE LYS 18 7.708 1.518 -7.393
136 HE3 LYS 18 2HE LYS 18 5.979 1.890 -7.317
137 HZ1 LYS 18 3HZ LYS 18 6.649 4.080 -6.315
138 HZ2 LYS 18 1HZ LYS 18 7.139 3.898 -7.878
139 HZ3 LYS 18 2HZ LYS 18 8.207 3.736 -6.653
140 H TYR 19 H TYR 19 3.724 -1.427 -2.726
141 HA TYR 19 HA TYR 19 4.444 -2.532 -0.051
142 HB2 TYR 19 1HB TYR 19 1.763 -1.438 -0.962
143 HB3 TYR 19 2HB TYR 19 1.933 -2.538 0.403
144 HD1 TYR 19 2HD TYR 19 3.283 -1.932 2.392
145 HD2 TYR 19 1HD TYR 19 2.492 0.917 -0.754
146 HE1 TYR 19 2HE TYR 19 4.177 -0.109 3.822
147 HE2 TYR 19 1HE TYR 19 3.427 2.740 0.671
148 HH TYR 19 HH TYR 19 4.388 3.275 2.683
149 H SER 20 H SER 20 3.962 -4.621 0.368
150 HA SER 20 HA SER 20 4.173 -6.392 -1.862
151 HB2 SER 20 1HB SER 20 4.201 -8.133 -0.053
152 HB3 SER 20 2HB SER 20 5.365 -6.815 0.167
153 HG SER 20 HG SER 20 4.267 -7.253 2.103
154 H ASP 21 H ASP 21 1.388 -5.334 -0.078
155 HA ASP 21 HA ASP 21 -0.356 -6.910 -1.813
156 HB2 ASP 21 1HB ASP 21 0.015 -8.350 0.215
157 HB3 ASP 21 2HB ASP 21 -0.728 -7.076 1.190
158 H VAL 22 H VAL 22 -2.510 -5.995 -1.958
159 HA VAL 22 HA VAL 22 -2.744 -3.191 -1.649
160 HB VAL 22 HB VAL 22 -4.030 -4.641 -3.196
161 HG11 VAL 22 1HG1 VAL 22 -4.794 -6.396 -1.616
162 HG12 VAL 22 2HG1 VAL 22 -5.888 -5.214 -0.859
163 HG13 VAL 22 3HG1 VAL 22 -6.111 -5.677 -2.553
164 HG21 VAL 22 3HG2 VAL 22 -5.739 -2.764 -1.512
165 HG22 VAL 22 1HG2 VAL 22 -4.626 -2.268 -2.799
166 HG23 VAL 22 2HG2 VAL 22 -6.043 -3.257 -3.189
167 H LYS 23 H LYS 23 -3.605 -5.769 0.635
168 HA LYS 23 HA LYS 23 -4.962 -4.052 2.546
169 HB2 LYS 23 1HB LYS 23 -3.478 -6.687 2.926
170 HB3 LYS 23 2HB LYS 23 -4.438 -5.882 4.173
171 HG2 LYS 23 1HG LYS 23 -6.464 -6.033 2.786
172 HG3 LYS 23 2HG LYS 23 -5.547 -6.806 1.482
173 HD2 LYS 23 1HD LYS 23 -4.990 -8.699 2.989
174 HD3 LYS 23 2HD LYS 23 -5.934 -7.936 4.289
175 HE2 LYS 23 1HE LYS 23 -7.964 -8.023 2.853
176 HE3 LYS 23 2HE LYS 23 -7.021 -8.779 1.562
177 HZ1 LYS 23 3HZ LYS 23 -8.218 -10.438 2.870
178 HZ2 LYS 23 1HZ LYS 23 -7.486 -9.967 4.249
179 HZ3 LYS 23 2HZ LYS 23 -6.614 -10.665 3.054
180 H ASN 24 H ASN 24 -1.514 -4.773 2.041
181 HA ASN 24 HA ASN 24 -0.671 -3.259 4.405
182 HB2 ASN 24 1HB ASN 24 0.842 -4.421 2.038
183 HB3 ASN 24 2HB ASN 24 1.612 -3.463 3.301
184 HD21 ASN 24 1HD2 ASN 24 2.215 -6.265 2.699
185 HD22 ASN 24 2HD2 ASN 24 1.806 -7.124 4.174
186 H LEU 25 H LEU 25 -1.137 -2.491 0.936
187 HA LEU 25 HA LEU 25 -0.249 0.237 1.136
188 HB2 LEU 25 1HB LEU 25 -0.569 -0.688 -1.044
189 HB3 LEU 25 2HB LEU 25 -2.222 -1.171 -0.685
190 HG LEU 25 HG LEU 25 -2.944 1.181 -0.574
191 HD11 LEU 25 1HD1 LEU 25 -1.438 2.965 -1.356
192 HD12 LEU 25 2HD1 LEU 25 -0.085 1.816 -1.460
193 HD13 LEU 25 3HD1 LEU 25 -0.784 2.249 0.109
194 HD21 LEU 25 3HD2 LEU 25 -2.896 1.677 -2.894
195 HD22 LEU 25 1HD2 LEU 25 -2.971 -0.087 -2.738
196 HD23 LEU 25 2HD2 LEU 25 -1.433 0.721 -3.145
197 H ILE 26 H ILE 26 -3.562 -1.167 1.621
198 HA ILE 26 HA ILE 26 -4.763 1.332 2.295
199 HB ILE 26 HB ILE 26 -5.544 -1.533 2.858
200 HG12 ILE 26 1HG1 ILE 26 -6.789 0.564 1.013
201 HG13 ILE 26 2HG1 ILE 26 -5.482 -0.478 0.478
202 HG21 ILE 26 1HG2 ILE 26 -7.140 1.006 3.455
203 HG22 ILE 26 2HG2 ILE 26 -7.811 -0.640 3.466
204 HG23 ILE 26 3HG2 ILE 26 -6.585 -0.191 4.644
205 HD11 ILE 26 3HD1 ILE 26 -7.553 -1.413 -0.262
206 HD12 ILE 26 1HD1 ILE 26 -6.847 -2.485 0.964
207 HD13 ILE 26 2HD1 ILE 26 -8.219 -1.426 1.380
208 H LYS 27 H LYS 27 -3.248 -1.131 4.375
209 HA LYS 27 HA LYS 27 -3.609 0.114 6.914
210 HB2 LYS 27 1HB LYS 27 -2.916 -2.215 6.484
211 HB3 LYS 27 2HB LYS 27 -1.396 -1.647 5.787
212 HG2 LYS 27 1HG LYS 27 -0.812 -0.691 8.069
213 HG3 LYS 27 2HG LYS 27 -2.238 -1.529 8.703
214 HD2 LYS 27 1HD LYS 27 0.124 -2.812 7.242
215 HD3 LYS 27 2HD LYS 27 -0.119 -2.827 8.991
216 HE2 LYS 27 1HE LYS 27 -2.103 -4.201 8.796
217 HE3 LYS 27 2HE LYS 27 -2.123 -4.040 7.036
218 HZ1 LYS 27 3HZ LYS 27 -0.112 -5.311 6.881
219 HZ2 LYS 27 1HZ LYS 27 -1.160 -6.162 7.793
220 HZ3 LYS 27 2HZ LYS 27 0.073 -5.375 8.516
221 H HIS 28 H HIS 28 -1.082 0.647 4.434
222 HA HIS 28 HA HIS 28 0.351 2.654 5.947
223 HB2 HIS 28 1HB HIS 28 1.522 1.621 4.190
224 HB3 HIS 28 2HB HIS 28 0.236 1.872 3.025
225 HD1 HIS 28 1HD HIS 28 2.648 4.147 5.048
226 HD2 HIS 28 2HD HIS 28 0.453 3.924 1.471
227 HE1 HIS 28 1HE HIS 28 3.225 6.249 3.756
228 H ILE 29 H ILE 29 -2.160 2.976 3.351
229 HA ILE 29 HA ILE 29 -2.295 5.786 3.351
230 HB ILE 29 HB ILE 29 -4.433 3.716 2.747
231 HG12 ILE 29 1HG1 ILE 29 -2.841 5.528 0.867
232 HG13 ILE 29 2HG1 ILE 29 -2.338 3.897 1.278
233 HG21 ILE 29 1HG2 ILE 29 -4.553 6.729 2.231
234 HG22 ILE 29 2HG2 ILE 29 -5.723 5.536 1.632
235 HG23 ILE 29 3HG2 ILE 29 -5.601 5.820 3.347
236 HD11 ILE 29 3HD1 ILE 29 -4.899 4.650 -0.192
237 HD12 ILE 29 1HD1 ILE 29 -3.484 3.838 -0.848
238 HD13 ILE 29 2HD1 ILE 29 -4.489 3.005 0.355
239 H ARG 30 H ARG 30 -4.320 3.562 5.339
240 HA ARG 30 HA ARG 30 -5.726 5.699 6.641
241 HB2 ARG 30 1HB ARG 30 -6.753 4.013 7.941
242 HB3 ARG 30 2HB ARG 30 -6.469 3.305 6.344
243 HG2 ARG 30 1HG ARG 30 -4.372 2.234 7.332
244 HG3 ARG 30 2HG ARG 30 -4.942 2.771 8.916
245 HD2 ARG 30 1HD ARG 30 -7.101 1.545 8.491
246 HD3 ARG 30 2HD ARG 30 -6.392 0.929 6.983
247 HE ARG 30 HE ARG 30 -4.789 0.422 9.393
248 HH11 ARG 30 2HH1 ARG 30 -7.380 -0.918 7.451
249 HH12 ARG 30 1HH1 ARG 30 -7.095 -2.537 8.025
250 HH21 ARG 30 2HH2 ARG 30 -4.516 -1.660 10.120
251 HH22 ARG 30 1HH2 ARG 30 -5.523 -2.935 9.504
252 H ASP 31 H ASP 31 -2.542 4.711 7.219
253 HA ASP 31 HA ASP 31 -2.523 5.869 9.965
254 HB2 ASP 31 1HB ASP 31 -1.491 3.650 9.593
255 HB3 ASP 31 2HB ASP 31 -0.380 4.360 8.426
256 H ALA 32 H ALA 32 -0.976 6.244 6.761
257 HA ALA 32 HA ALA 32 0.574 8.564 7.675
258 HB1 ALA 32 1HB ALA 32 1.596 6.690 6.439
259 HB2 ALA 32 2HB ALA 32 0.549 7.040 5.042
260 HB3 ALA 32 3HB ALA 32 1.764 8.225 5.563
261 H HIS 33 H HIS 33 -2.270 8.095 5.636
262 HA HIS 33 HA HIS 33 -2.130 10.966 4.747
263 HB2 HIS 33 1HB HIS 33 -3.032 8.588 3.088
264 HB3 HIS 33 2HB HIS 33 -2.896 10.260 2.557
265 HD1 HIS 33 1HD HIS 33 -0.041 11.118 3.060
266 HD2 HIS 33 2HD HIS 33 -1.116 7.163 2.146
267 HE1 HIS 33 1HE HIS 33 2.057 10.032 2.116
268 H ASP 34 H ASP 34 -4.258 8.214 5.375
269 HA ASP 34 HA ASP 34 -6.503 7.971 5.569
270 HB2 ASP 34 1HB ASP 34 -5.502 8.284 7.767
271 HB3 ASP 34 2HB ASP 34 -5.870 10.003 7.694
272 HA PRO 35 HA PRO 35 -8.022 11.511 2.964
273 HB2 PRO 35 1HB PRO 35 -9.409 9.110 1.766
274 HB3 PRO 35 2HB PRO 35 -8.747 10.556 0.941
275 HG2 PRO 35 1HG PRO 35 -7.353 8.235 0.928
276 HG3 PRO 35 2HG PRO 35 -6.501 9.785 1.247
277 HD2 PRO 35 1HD PRO 35 -7.446 7.728 3.272
278 HD3 PRO 35 2HD PRO 35 -5.882 8.580 3.147
279 H GLN 36 H GLN 36 -10.069 12.477 2.864
280 HA GLN 36 HA GLN 36 -11.845 11.819 5.092
281 HB2 GLN 36 1HB GLN 36 -11.845 14.127 3.111
282 HB3 GLN 36 2HB GLN 36 -12.905 13.990 4.517
283 HG2 GLN 36 1HG GLN 36 -10.917 13.937 6.018
284 HG3 GLN 36 2HG GLN 36 -9.860 14.155 4.620
285 HE21 GLN 36 1HE2 GLN 36 -12.440 15.751 6.558
286 HE22 GLN 36 2HE2 GLN 36 -12.014 17.371 6.023
287 H ASP 37 H ASP 37 -11.846 10.605 2.032
288 HA ASP 37 HA ASP 37 -14.747 9.984 2.055
289 HB2 ASP 37 1HB ASP 37 -14.505 11.938 0.580
290 HB3 ASP 37 2HB ASP 37 -13.260 11.111 -0.347
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 8.555 -22.393 -15.385
2 H2 GLY 1 2H GLY 1 9.257 -23.297 -16.559
3 H3 GLY 1 3H GLY 1 7.704 -23.583 -16.118
4 HA2 GLY 1 1HA GLY 1 8.677 -21.128 -17.426
5 HA3 GLY 1 2HA GLY 1 7.772 -22.424 -18.229
6 H SER 2 H SER 2 7.190 -19.492 -17.673
7 HA SER 2 HA SER 2 4.466 -19.787 -16.477
8 HB2 SER 2 1HB SER 2 6.460 -17.577 -15.844
9 HB3 SER 2 2HB SER 2 4.776 -17.652 -15.294
10 HG SER 2 HG SER 2 6.253 -18.437 -13.712
11 H SER 3 H SER 3 2.903 -18.347 -17.215
12 HA SER 3 HA SER 3 3.238 -17.420 -19.939
13 HB2 SER 3 1HB SER 3 0.853 -17.137 -18.081
14 HB3 SER 3 2HB SER 3 0.852 -16.963 -19.847
15 HG SER 3 HG SER 3 0.161 -19.052 -19.183
16 H GLY 4 H GLY 4 4.133 -15.831 -17.183
17 HA2 GLY 4 1HA GLY 4 4.355 -13.229 -18.376
18 HA3 GLY 4 2HA GLY 4 3.004 -13.267 -17.241
19 H SER 5 H SER 5 4.093 -11.748 -15.913
20 HA SER 5 HA SER 5 6.684 -12.243 -14.696
21 HB2 SER 5 1HB SER 5 6.253 -10.212 -13.484
22 HB3 SER 5 2HB SER 5 5.711 -9.985 -15.152
23 HG SER 5 HG SER 5 4.134 -9.227 -13.707
24 H SER 6 H SER 6 6.727 -11.904 -12.155
25 HA SER 6 HA SER 6 5.535 -14.193 -10.864
26 HB2 SER 6 1HB SER 6 6.655 -13.268 -8.846
27 HB3 SER 6 2HB SER 6 7.725 -13.445 -10.244
28 HG SER 6 HG SER 6 8.080 -11.451 -9.313
29 H GLY 7 H GLY 7 4.063 -11.290 -11.642
30 HA2 GLY 7 1HA GLY 7 1.637 -11.312 -11.025
31 HA3 GLY 7 2HA GLY 7 2.136 -11.408 -9.339
32 H ILE 8 H ILE 8 0.492 -9.475 -9.773
33 HA ILE 8 HA ILE 8 1.799 -6.933 -10.487
34 HB ILE 8 HB ILE 8 -1.009 -7.565 -9.508
35 HG12 ILE 8 1HG1 ILE 8 0.039 -6.811 -12.281
36 HG13 ILE 8 2HG1 ILE 8 -0.436 -8.433 -11.787
37 HG21 ILE 8 1HG2 ILE 8 -0.398 -5.258 -8.857
38 HG22 ILE 8 2HG2 ILE 8 0.131 -4.916 -10.522
39 HG23 ILE 8 3HG2 ILE 8 -1.574 -5.233 -10.146
40 HD11 ILE 8 3HD1 ILE 8 -2.766 -7.594 -11.364
41 HD12 ILE 8 1HD1 ILE 8 -2.283 -6.048 -12.108
42 HD13 ILE 8 2HD1 ILE 8 -2.232 -7.537 -13.056
43 H LYS 9 H LYS 9 2.458 -5.375 -9.111
44 HA LYS 9 HA LYS 9 2.373 -5.873 -6.156
45 HB2 LYS 9 1HB LYS 9 4.502 -4.369 -7.742
46 HB3 LYS 9 2HB LYS 9 4.391 -4.479 -5.990
47 HG2 LYS 9 1HG LYS 9 5.927 -6.125 -6.363
48 HG3 LYS 9 2HG LYS 9 4.445 -7.083 -6.373
49 HD2 LYS 9 1HD LYS 9 4.481 -6.891 -8.929
50 HD3 LYS 9 2HD LYS 9 6.058 -6.107 -8.781
51 HE2 LYS 9 1HE LYS 9 6.998 -8.111 -7.731
52 HE3 LYS 9 2HE LYS 9 5.396 -8.859 -7.648
53 HZ1 LYS 9 3HZ LYS 9 6.590 -9.714 -9.558
54 HZ2 LYS 9 1HZ LYS 9 6.843 -8.209 -10.157
55 HZ3 LYS 9 2HZ LYS 9 5.320 -8.821 -10.079
56 H GLN 10 H GLN 10 2.090 -4.060 -4.789
57 HA GLN 10 HA GLN 10 0.162 -2.120 -5.972
58 HB2 GLN 10 1HB GLN 10 0.581 -2.988 -3.086
59 HB3 GLN 10 2HB GLN 10 -0.690 -1.931 -3.679
60 HG2 GLN 10 1HG GLN 10 -0.357 -4.871 -4.408
61 HG3 GLN 10 2HG GLN 10 -1.497 -4.217 -3.251
62 HE21 GLN 10 1HE2 GLN 10 -2.353 -5.804 -5.436
63 HE22 GLN 10 2HE2 GLN 10 -3.293 -4.760 -6.493
64 H HIS 11 H HIS 11 0.182 0.127 -5.272
65 HA HIS 11 HA HIS 11 2.483 1.012 -3.726
66 HB2 HIS 11 1HB HIS 11 3.375 2.605 -5.263
67 HB3 HIS 11 2HB HIS 11 3.390 1.026 -6.024
68 HD1 HIS 11 1HD HIS 11 1.557 4.418 -6.258
69 HD2 HIS 11 2HD HIS 11 1.997 0.750 -8.289
70 HE1 HIS 11 1HE HIS 11 0.582 4.766 -8.587
71 H CYS 12 H CYS 12 2.382 3.049 -2.837
72 HA CYS 12 HA CYS 12 -0.194 4.133 -2.161
73 HB2 CYS 12 1HB CYS 12 1.741 4.174 -0.704
74 HB3 CYS 12 2HB CYS 12 2.637 5.178 -1.850
75 H ARG 13 H ARG 13 -0.998 6.106 -2.508
76 HA ARG 13 HA ARG 13 -0.909 7.033 -5.353
77 HB2 ARG 13 1HB ARG 13 -2.809 7.752 -3.079
78 HB3 ARG 13 2HB ARG 13 -2.991 8.177 -4.767
79 HG2 ARG 13 1HG ARG 13 -3.208 5.371 -3.595
80 HG3 ARG 13 2HG ARG 13 -4.517 6.425 -4.095
81 HD2 ARG 13 1HD ARG 13 -4.442 5.234 -5.988
82 HD3 ARG 13 2HD ARG 13 -3.181 6.389 -6.437
83 HE ARG 13 HE ARG 13 -1.950 4.205 -5.072
84 HH11 ARG 13 2HH1 ARG 13 -3.596 4.716 -8.132
85 HH12 ARG 13 1HH1 ARG 13 -2.886 3.291 -8.842
86 HH21 ARG 13 2HH2 ARG 13 -1.087 2.464 -6.027
87 HH22 ARG 13 1HH2 ARG 13 -1.428 2.088 -7.703
88 H PHE 14 H PHE 14 -0.370 8.132 -2.058
89 HA PHE 14 HA PHE 14 -0.063 10.950 -2.893
90 HB2 PHE 14 1HB PHE 14 -0.168 9.751 -0.120
91 HB3 PHE 14 2HB PHE 14 -0.396 11.437 -0.553
92 HD1 PHE 14 1HD PHE 14 -2.448 12.030 -2.043
93 HD2 PHE 14 2HD PHE 14 -2.005 8.242 -0.028
94 HE1 PHE 14 1HE PHE 14 -4.881 11.596 -2.309
95 HE2 PHE 14 2HE PHE 14 -4.437 7.818 -0.286
96 HZ PHE 14 HZ PHE 14 -5.875 9.487 -1.441
97 H CYS 15 H CYS 15 1.922 8.387 -1.459
98 HA CYS 15 HA CYS 15 4.298 10.148 -1.794
99 HB2 CYS 15 1HB CYS 15 5.353 9.350 0.130
100 HB3 CYS 15 2HB CYS 15 3.770 9.968 0.571
101 H LYS 16 H LYS 16 2.819 7.478 -2.945
102 HA LYS 16 HA LYS 16 3.354 5.818 -4.379
103 HB2 LYS 16 1HB LYS 16 5.348 7.927 -5.216
104 HB3 LYS 16 2HB LYS 16 4.907 6.519 -6.196
105 HG2 LYS 16 1HG LYS 16 2.554 7.189 -6.223
106 HG3 LYS 16 2HG LYS 16 2.902 8.587 -5.190
107 HD2 LYS 16 1HD LYS 16 4.302 9.588 -6.931
108 HD3 LYS 16 2HD LYS 16 4.132 8.143 -7.935
109 HE2 LYS 16 1HE LYS 16 2.669 9.848 -8.794
110 HE3 LYS 16 2HE LYS 16 1.701 8.524 -8.144
111 HZ1 LYS 16 3HZ LYS 16 2.247 11.050 -6.668
112 HZ2 LYS 16 1HZ LYS 16 1.200 9.867 -6.206
113 HZ3 LYS 16 2HZ LYS 16 0.888 10.766 -7.521
114 H LYS 17 H LYS 17 4.666 5.478 -1.838
115 HA LYS 17 HA LYS 17 6.991 3.788 -2.175
116 HB2 LYS 17 1HB LYS 17 4.783 3.991 -0.079
117 HB3 LYS 17 2HB LYS 17 6.140 2.869 0.068
118 HG2 LYS 17 1HG LYS 17 7.726 4.751 0.031
119 HG3 LYS 17 2HG LYS 17 6.373 5.876 -0.224
120 HD2 LYS 17 1HD LYS 17 5.396 5.133 1.971
121 HD3 LYS 17 2HD LYS 17 6.808 4.104 2.217
122 HE2 LYS 17 1HE LYS 17 6.993 6.200 3.478
123 HE3 LYS 17 2HE LYS 17 8.287 6.060 2.283
124 HZ1 LYS 17 3HZ LYS 17 7.132 8.290 2.392
125 HZ2 LYS 17 1HZ LYS 17 5.792 7.586 1.735
126 HZ3 LYS 17 2HZ LYS 17 7.183 7.633 0.896
127 H LYS 18 H LYS 18 7.056 1.520 -2.116
128 HA LYS 18 HA LYS 18 4.794 0.207 -3.592
129 HB2 LYS 18 1HB LYS 18 7.784 -0.274 -3.635
130 HB3 LYS 18 2HB LYS 18 6.643 -1.504 -4.160
131 HG2 LYS 18 1HG LYS 18 7.438 -0.312 -6.082
132 HG3 LYS 18 2HG LYS 18 5.711 -0.016 -5.871
133 HD2 LYS 18 1HD LYS 18 6.158 2.206 -4.967
134 HD3 LYS 18 2HD LYS 18 7.912 1.908 -5.002
135 HE2 LYS 18 1HE LYS 18 7.748 1.704 -7.501
136 HE3 LYS 18 2HE LYS 18 6.017 2.057 -7.387
137 HZ1 LYS 18 3HZ LYS 18 6.678 4.188 -6.266
138 HZ2 LYS 18 1HZ LYS 18 7.166 4.103 -7.838
139 HZ3 LYS 18 2HZ LYS 18 8.237 3.876 -6.626
140 H TYR 19 H TYR 19 3.922 -1.663 -3.040
141 HA TYR 19 HA TYR 19 4.623 -2.947 -0.445
142 HB2 TYR 19 1HB TYR 19 1.882 -1.929 -1.291
143 HB3 TYR 19 2HB TYR 19 2.187 -2.949 0.110
144 HD1 TYR 19 2HD TYR 19 3.410 -2.097 2.082
145 HD2 TYR 19 1HD TYR 19 2.509 0.457 -1.278
146 HE1 TYR 19 2HE TYR 19 4.102 -0.110 3.407
147 HE2 TYR 19 1HE TYR 19 3.232 2.444 0.049
148 HH TYR 19 HH TYR 19 4.482 2.144 3.386
149 H SER 20 H SER 20 4.278 -5.115 -0.315
150 HA SER 20 HA SER 20 3.769 -6.601 -2.777
151 HB2 SER 20 1HB SER 20 4.255 -7.610 0.047
152 HB3 SER 20 2HB SER 20 4.343 -8.561 -1.449
153 HG SER 20 HG SER 20 6.415 -7.853 -0.743
154 H ASP 21 H ASP 21 1.636 -5.332 -0.519
155 HA ASP 21 HA ASP 21 -0.541 -7.231 -1.165
156 HB2 ASP 21 1HB ASP 21 0.414 -8.244 0.801
157 HB3 ASP 21 2HB ASP 21 0.599 -6.691 1.596
158 H VAL 22 H VAL 22 -2.565 -6.352 -1.085
159 HA VAL 22 HA VAL 22 -2.739 -3.471 -1.223
160 HB VAL 22 HB VAL 22 -3.984 -5.118 -2.633
161 HG11 VAL 22 1HG1 VAL 22 -4.858 -6.610 -0.838
162 HG12 VAL 22 2HG1 VAL 22 -5.947 -5.299 -0.319
163 HG13 VAL 22 3HG1 VAL 22 -6.109 -6.006 -1.933
164 HG21 VAL 22 3HG2 VAL 22 -4.506 -2.712 -2.611
165 HG22 VAL 22 1HG2 VAL 22 -5.958 -3.692 -2.873
166 HG23 VAL 22 2HG2 VAL 22 -5.657 -2.964 -1.283
167 H LYS 23 H LYS 23 -3.594 -5.810 1.297
168 HA LYS 23 HA LYS 23 -5.049 -3.844 2.914
169 HB2 LYS 23 1HB LYS 23 -3.849 -6.484 3.832
170 HB3 LYS 23 2HB LYS 23 -5.053 -5.518 4.667
171 HG2 LYS 23 1HG LYS 23 -5.444 -6.971 2.014
172 HG3 LYS 23 2HG LYS 23 -6.046 -7.466 3.593
173 HD2 LYS 23 1HD LYS 23 -7.464 -5.402 3.694
174 HD3 LYS 23 2HD LYS 23 -6.859 -4.931 2.102
175 HE2 LYS 23 1HE LYS 23 -8.990 -5.909 1.747
176 HE3 LYS 23 2HE LYS 23 -7.781 -7.035 1.129
177 HZ1 LYS 23 3HZ LYS 23 -9.150 -7.274 3.763
178 HZ2 LYS 23 1HZ LYS 23 -8.058 -8.343 3.174
179 HZ3 LYS 23 2HZ LYS 23 -9.502 -8.159 2.440
180 H ASN 24 H ASN 24 -1.667 -4.954 2.828
181 HA ASN 24 HA ASN 24 -0.762 -3.232 4.969
182 HB2 ASN 24 1HB ASN 24 0.589 -4.578 2.610
183 HB3 ASN 24 2HB ASN 24 1.459 -3.416 3.602
184 HD21 ASN 24 1HD2 ASN 24 -0.453 -6.477 3.916
185 HD22 ASN 24 2HD2 ASN 24 0.465 -7.002 5.328
186 H LEU 25 H LEU 25 -1.061 -2.617 1.424
187 HA LEU 25 HA LEU 25 -0.220 0.105 1.497
188 HB2 LEU 25 1HB LEU 25 -0.393 -1.011 -0.597
189 HB3 LEU 25 2HB LEU 25 -2.068 -1.469 -0.317
190 HG LEU 25 HG LEU 25 -2.815 0.854 -0.531
191 HD11 LEU 25 1HD1 LEU 25 -1.283 2.580 -1.350
192 HD12 LEU 25 2HD1 LEU 25 0.106 1.479 -1.183
193 HD13 LEU 25 3HD1 LEU 25 -0.766 2.054 0.248
194 HD21 LEU 25 3HD2 LEU 25 -2.457 1.122 -2.899
195 HD22 LEU 25 1HD2 LEU 25 -2.629 -0.605 -2.544
196 HD23 LEU 25 2HD2 LEU 25 -1.017 0.095 -2.849
197 H ILE 26 H ILE 26 -3.578 -1.218 1.838
198 HA ILE 26 HA ILE 26 -4.805 1.320 2.255
199 HB ILE 26 HB ILE 26 -5.618 -1.502 2.968
200 HG12 ILE 26 1HG1 ILE 26 -6.792 0.489 0.966
201 HG13 ILE 26 2HG1 ILE 26 -5.469 -0.585 0.541
202 HG21 ILE 26 1HG2 ILE 26 -7.910 -0.590 3.434
203 HG22 ILE 26 2HG2 ILE 26 -6.730 -0.093 4.639
204 HG23 ILE 26 3HG2 ILE 26 -7.237 1.056 3.375
205 HD11 ILE 26 3HD1 ILE 26 -6.869 -2.558 1.090
206 HD12 ILE 26 1HD1 ILE 26 -8.248 -1.471 1.389
207 HD13 ILE 26 2HD1 ILE 26 -7.520 -1.558 -0.224
208 H LYS 27 H LYS 27 -3.403 -0.954 4.642
209 HA LYS 27 HA LYS 27 -4.014 0.591 6.973
210 HB2 LYS 27 1HB LYS 27 -3.355 -1.780 6.951
211 HB3 LYS 27 2HB LYS 27 -1.703 -1.335 6.484
212 HG2 LYS 27 1HG LYS 27 -1.461 -0.050 8.587
213 HG3 LYS 27 2HG LYS 27 -3.112 -0.465 9.052
214 HD2 LYS 27 1HD LYS 27 -0.854 -2.491 8.636
215 HD3 LYS 27 2HD LYS 27 -1.306 -1.773 10.173
216 HE2 LYS 27 1HE LYS 27 -2.422 -3.750 10.334
217 HE3 LYS 27 2HE LYS 27 -3.696 -2.694 9.729
218 HZ1 LYS 27 3HZ LYS 27 -2.067 -4.572 8.083
219 HZ2 LYS 27 1HZ LYS 27 -3.268 -3.623 7.491
220 HZ3 LYS 27 2HZ LYS 27 -3.608 -4.820 8.543
221 H HIS 28 H HIS 28 -1.158 0.716 4.792
222 HA HIS 28 HA HIS 28 0.198 2.838 6.155
223 HB2 HIS 28 1HB HIS 28 1.421 1.650 4.514
224 HB3 HIS 28 2HB HIS 28 0.190 1.873 3.280
225 HD1 HIS 28 1HD HIS 28 2.669 4.127 5.243
226 HD2 HIS 28 2HD HIS 28 0.456 3.899 1.676
227 HE1 HIS 28 1HE HIS 28 3.333 6.164 3.893
228 H ILE 29 H ILE 29 -2.252 3.015 3.490
229 HA ILE 29 HA ILE 29 -2.305 5.832 3.309
230 HB ILE 29 HB ILE 29 -4.453 3.776 2.722
231 HG12 ILE 29 1HG1 ILE 29 -2.746 5.468 0.833
232 HG13 ILE 29 2HG1 ILE 29 -2.270 3.864 1.367
233 HG21 ILE 29 1HG2 ILE 29 -4.488 6.769 2.096
234 HG22 ILE 29 2HG2 ILE 29 -5.636 5.579 1.450
235 HG23 ILE 29 3HG2 ILE 29 -5.616 5.907 3.167
236 HD11 ILE 29 3HD1 ILE 29 -3.291 3.681 -0.809
237 HD12 ILE 29 1HD1 ILE 29 -4.357 2.910 0.384
238 HD13 ILE 29 2HD1 ILE 29 -4.748 4.519 -0.275
239 H ARG 30 H ARG 30 -4.467 3.789 5.361
240 HA ARG 30 HA ARG 30 -5.725 6.115 6.534
241 HB2 ARG 30 1HB ARG 30 -6.898 4.608 7.960
242 HB3 ARG 30 2HB ARG 30 -6.790 3.898 6.345
243 HG2 ARG 30 1HG ARG 30 -4.987 2.421 7.094
244 HG3 ARG 30 2HG ARG 30 -5.013 3.130 8.699
245 HD2 ARG 30 1HD ARG 30 -6.200 1.020 8.723
246 HD3 ARG 30 2HD ARG 30 -7.316 2.358 9.045
247 HE ARG 30 HE ARG 30 -7.298 1.748 6.235
248 HH11 ARG 30 2HH1 ARG 30 -8.515 0.380 9.223
249 HH12 ARG 30 1HH1 ARG 30 -9.880 -0.365 8.438
250 HH21 ARG 30 2HH2 ARG 30 -9.105 0.808 5.304
251 HH22 ARG 30 1HH2 ARG 30 -10.184 -0.141 6.279
252 H ASP 31 H ASP 31 -2.680 4.751 7.284
253 HA ASP 31 HA ASP 31 -2.562 6.009 9.965
254 HB2 ASP 31 1HB ASP 31 -1.560 3.791 9.545
255 HB3 ASP 31 2HB ASP 31 -0.473 4.501 8.354
256 H ALA 32 H ALA 32 -1.040 6.422 6.748
257 HA ALA 32 HA ALA 32 0.486 8.749 7.709
258 HB1 ALA 32 1HB ALA 32 1.573 6.871 6.539
259 HB2 ALA 32 2HB ALA 32 0.585 7.198 5.095
260 HB3 ALA 32 3HB ALA 32 1.766 8.399 5.656
261 H HIS 33 H HIS 33 -2.293 8.249 5.595
262 HA HIS 33 HA HIS 33 -2.097 11.094 4.640
263 HB2 HIS 33 1HB HIS 33 -3.001 8.686 3.032
264 HB3 HIS 33 2HB HIS 33 -2.803 10.337 2.455
265 HD1 HIS 33 1HD HIS 33 0.039 11.152 3.000
266 HD2 HIS 33 2HD HIS 33 -1.067 7.169 2.265
267 HE1 HIS 33 1HE HIS 33 2.153 9.981 2.208
268 H ASP 34 H ASP 34 -4.299 8.408 5.310
269 HA ASP 34 HA ASP 34 -6.544 8.225 5.528
270 HB2 ASP 34 1HB ASP 34 -5.570 8.722 7.708
271 HB3 ASP 34 2HB ASP 34 -5.922 10.432 7.474
272 HA PRO 35 HA PRO 35 -8.007 11.553 2.622
273 HB2 PRO 35 1HB PRO 35 -9.361 9.064 1.576
274 HB3 PRO 35 2HB PRO 35 -8.674 10.443 0.661
275 HG2 PRO 35 1HG PRO 35 -7.293 8.123 0.856
276 HG3 PRO 35 2HG PRO 35 -6.441 9.690 1.074
277 HD2 PRO 35 1HD PRO 35 -7.446 7.803 3.232
278 HD3 PRO 35 2HD PRO 35 -5.867 8.622 3.071
279 H GLN 36 H GLN 36 -10.079 12.477 2.410
280 HA GLN 36 HA GLN 36 -11.830 12.066 4.665
281 HB2 GLN 36 1HB GLN 36 -12.988 14.020 3.892
282 HB3 GLN 36 2HB GLN 36 -11.247 14.280 3.792
283 HG2 GLN 36 1HG GLN 36 -11.334 13.846 1.329
284 HG3 GLN 36 2HG GLN 36 -13.074 13.586 1.440
285 HE21 GLN 36 1HE2 GLN 36 -12.616 15.409 -0.347
286 HE22 GLN 36 2HE2 GLN 36 -12.801 17.041 0.282
287 H ASP 37 H ASP 37 -11.848 10.501 1.669
288 HA ASP 37 HA ASP 37 -14.574 9.431 2.061
289 HB2 ASP 37 1HB ASP 37 -14.903 11.386 0.596
290 HB3 ASP 37 2HB ASP 37 -13.682 10.782 -0.517
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 21.541 -2.952 -14.774
2 H2 GLY 1 2H GLY 1 21.916 -1.814 -15.889
3 H3 GLY 1 3H GLY 1 22.965 -3.033 -15.580
4 HA2 GLY 1 1HA GLY 1 21.835 -3.427 -17.668
5 HA3 GLY 1 2HA GLY 1 21.453 -4.670 -16.463
6 H SER 2 H SER 2 19.893 -3.735 -18.825
7 HA SER 2 HA SER 2 17.597 -2.252 -17.795
8 HB2 SER 2 1HB SER 2 16.736 -2.577 -20.103
9 HB3 SER 2 2HB SER 2 18.343 -1.832 -20.033
10 HG SER 2 HG SER 2 18.216 -3.511 -21.612
11 H SER 3 H SER 3 18.365 -5.653 -18.081
12 HA SER 3 HA SER 3 15.713 -6.705 -18.223
13 HB2 SER 3 1HB SER 3 18.213 -7.976 -17.048
14 HB3 SER 3 2HB SER 3 16.725 -8.822 -17.517
15 HG SER 3 HG SER 3 18.332 -8.912 -19.161
16 H GLY 4 H GLY 4 14.244 -7.353 -16.705
17 HA2 GLY 4 1HA GLY 4 14.621 -7.877 -13.983
18 HA3 GLY 4 2HA GLY 4 14.232 -6.158 -14.086
19 H SER 5 H SER 5 12.583 -7.706 -12.664
20 HA SER 5 HA SER 5 10.319 -8.757 -14.133
21 HB2 SER 5 1HB SER 5 10.567 -7.984 -11.202
22 HB3 SER 5 2HB SER 5 9.275 -8.963 -11.924
23 HG SER 5 HG SER 5 10.919 -10.260 -10.974
24 H SER 6 H SER 6 8.121 -7.984 -14.042
25 HA SER 6 HA SER 6 7.853 -5.155 -14.609
26 HB2 SER 6 1HB SER 6 5.484 -5.779 -15.064
27 HB3 SER 6 2HB SER 6 6.674 -6.746 -15.949
28 HG SER 6 HG SER 6 5.015 -8.038 -15.004
29 H GLY 7 H GLY 7 7.670 -6.833 -11.651
30 HA2 GLY 7 1HA GLY 7 7.277 -5.997 -9.514
31 HA3 GLY 7 2HA GLY 7 6.802 -4.455 -10.215
32 H ILE 8 H ILE 8 5.163 -4.400 -8.595
33 HA ILE 8 HA ILE 8 2.700 -5.954 -9.222
34 HB ILE 8 HB ILE 8 2.084 -6.229 -7.052
35 HG12 ILE 8 1HG1 ILE 8 2.859 -4.242 -5.922
36 HG13 ILE 8 2HG1 ILE 8 3.294 -5.717 -5.097
37 HG21 ILE 8 1HG2 ILE 8 4.935 -7.210 -7.265
38 HG22 ILE 8 2HG2 ILE 8 3.644 -7.850 -6.225
39 HG23 ILE 8 3HG2 ILE 8 3.491 -7.957 -7.983
40 HD11 ILE 8 3HD1 ILE 8 5.102 -4.104 -4.917
41 HD12 ILE 8 1HD1 ILE 8 5.658 -5.464 -5.904
42 HD13 ILE 8 2HD1 ILE 8 5.188 -3.926 -6.672
43 H LYS 9 H LYS 9 0.692 -4.951 -8.673
44 HA LYS 9 HA LYS 9 0.643 -2.138 -9.408
45 HB2 LYS 9 1HB LYS 9 -1.726 -2.364 -9.496
46 HB3 LYS 9 2HB LYS 9 -0.955 -3.730 -10.298
47 HG2 LYS 9 1HG LYS 9 -1.405 -5.162 -8.312
48 HG3 LYS 9 2HG LYS 9 -2.161 -3.780 -7.487
49 HD2 LYS 9 1HD LYS 9 -3.828 -3.605 -9.304
50 HD3 LYS 9 2HD LYS 9 -3.075 -4.986 -10.130
51 HE2 LYS 9 1HE LYS 9 -3.560 -6.426 -8.157
52 HE3 LYS 9 2HE LYS 9 -4.309 -5.051 -7.333
53 HZ1 LYS 9 3HZ LYS 9 -5.976 -4.980 -9.114
54 HZ2 LYS 9 1HZ LYS 9 -5.976 -6.452 -8.412
55 HZ3 LYS 9 2HZ LYS 9 -5.284 -6.249 -9.875
56 H GLN 10 H GLN 10 0.694 -3.693 -6.346
57 HA GLN 10 HA GLN 10 -0.742 -1.694 -4.847
58 HB2 GLN 10 1HB GLN 10 1.163 -3.896 -3.947
59 HB3 GLN 10 2HB GLN 10 0.203 -2.877 -2.883
60 HG2 GLN 10 1HG GLN 10 -1.046 -4.802 -2.994
61 HG3 GLN 10 2HG GLN 10 -1.881 -3.747 -4.125
62 HE21 GLN 10 1HE2 GLN 10 -2.530 -6.350 -4.399
63 HE22 GLN 10 2HE2 GLN 10 -1.638 -7.091 -5.722
64 H HIS 11 H HIS 11 0.136 0.284 -5.430
65 HA HIS 11 HA HIS 11 2.480 1.002 -3.778
66 HB2 HIS 11 1HB HIS 11 3.380 2.488 -5.385
67 HB3 HIS 11 2HB HIS 11 3.160 0.941 -6.189
68 HD1 HIS 11 1HD HIS 11 1.660 4.502 -6.127
69 HD2 HIS 11 2HD HIS 11 1.458 0.877 -8.270
70 HE1 HIS 11 1HE HIS 11 0.369 5.004 -8.268
71 H CYS 12 H CYS 12 2.465 3.065 -2.884
72 HA CYS 12 HA CYS 12 -0.100 4.207 -2.192
73 HB2 CYS 12 1HB CYS 12 1.804 4.141 -0.694
74 HB3 CYS 12 2HB CYS 12 2.753 5.161 -1.801
75 H ARG 13 H ARG 13 -1.066 5.994 -2.890
76 HA ARG 13 HA ARG 13 -0.429 7.085 -5.571
77 HB2 ARG 13 1HB ARG 13 -2.726 6.463 -4.970
78 HB3 ARG 13 2HB ARG 13 -2.701 7.565 -3.591
79 HG2 ARG 13 1HG ARG 13 -2.553 9.508 -5.090
80 HG3 ARG 13 2HG ARG 13 -2.456 8.433 -6.504
81 HD2 ARG 13 1HD ARG 13 -4.706 7.555 -5.989
82 HD3 ARG 13 2HD ARG 13 -4.784 8.582 -4.541
83 HE ARG 13 HE ARG 13 -4.253 10.236 -6.800
84 HH11 ARG 13 2HH1 ARG 13 -6.933 8.366 -5.541
85 HH12 ARG 13 1HH1 ARG 13 -8.122 9.391 -6.296
86 HH21 ARG 13 2HH2 ARG 13 -5.821 11.502 -7.738
87 HH22 ARG 13 1HH2 ARG 13 -7.501 11.118 -7.508
88 H PHE 14 H PHE 14 -0.054 8.002 -2.231
89 HA PHE 14 HA PHE 14 0.227 10.877 -2.907
90 HB2 PHE 14 1HB PHE 14 -0.004 9.542 -0.212
91 HB3 PHE 14 2HB PHE 14 -0.259 11.239 -0.584
92 HD1 PHE 14 2HD PHE 14 -2.240 11.798 -2.228
93 HD2 PHE 14 1HD PHE 14 -1.788 7.988 -0.260
94 HE1 PHE 14 2HE PHE 14 -4.626 11.272 -2.686
95 HE2 PHE 14 1HE PHE 14 -4.170 7.468 -0.712
96 HZ PHE 14 HZ PHE 14 -5.590 9.105 -1.936
97 H CYS 15 H CYS 15 2.172 8.261 -1.502
98 HA CYS 15 HA CYS 15 4.534 10.061 -1.671
99 HB2 CYS 15 1HB CYS 15 5.495 9.255 0.297
100 HB3 CYS 15 2HB CYS 15 3.894 9.892 0.647
101 H LYS 16 H LYS 16 3.241 7.515 -3.094
102 HA LYS 16 HA LYS 16 3.926 5.994 -4.621
103 HB2 LYS 16 1HB LYS 16 6.258 7.915 -4.837
104 HB3 LYS 16 2HB LYS 16 5.906 6.632 -5.981
105 HG2 LYS 16 1HG LYS 16 5.075 8.562 -6.954
106 HG3 LYS 16 2HG LYS 16 3.666 7.638 -6.438
107 HD2 LYS 16 1HD LYS 16 3.224 9.203 -4.629
108 HD3 LYS 16 2HD LYS 16 4.825 9.938 -4.809
109 HE2 LYS 16 1HE LYS 16 3.239 11.451 -5.741
110 HE3 LYS 16 2HE LYS 16 4.165 10.759 -7.073
111 HZ1 LYS 16 3HZ LYS 16 2.274 9.254 -7.492
112 HZ2 LYS 16 1HZ LYS 16 1.789 10.809 -7.565
113 HZ3 LYS 16 2HZ LYS 16 1.427 9.915 -6.248
114 H LYS 17 H LYS 17 4.885 5.434 -1.818
115 HA LYS 17 HA LYS 17 7.093 3.567 -2.059
116 HB2 LYS 17 1HB LYS 17 4.821 3.886 -0.057
117 HB3 LYS 17 2HB LYS 17 6.122 2.699 0.130
118 HG2 LYS 17 1HG LYS 17 7.791 4.500 0.180
119 HG3 LYS 17 2HG LYS 17 6.517 5.697 -0.132
120 HD2 LYS 17 1HD LYS 17 5.402 5.005 2.017
121 HD3 LYS 17 2HD LYS 17 6.762 3.924 2.331
122 HE2 LYS 17 1HE LYS 17 6.993 6.017 3.578
123 HE3 LYS 17 2HE LYS 17 8.313 5.833 2.419
124 HZ1 LYS 17 3HZ LYS 17 7.274 7.425 0.987
125 HZ2 LYS 17 1HZ LYS 17 7.239 8.096 2.478
126 HZ3 LYS 17 2HZ LYS 17 5.879 7.437 1.819
127 H LYS 18 H LYS 18 6.967 1.301 -1.985
128 HA LYS 18 HA LYS 18 4.591 0.077 -3.376
129 HB2 LYS 18 1HB LYS 18 7.536 -0.614 -3.657
130 HB3 LYS 18 2HB LYS 18 6.203 -1.548 -4.354
131 HG2 LYS 18 1HG LYS 18 5.461 0.444 -5.637
132 HG3 LYS 18 2HG LYS 18 6.834 1.368 -5.016
133 HD2 LYS 18 1HD LYS 18 7.038 -1.169 -6.701
134 HD3 LYS 18 2HD LYS 18 7.187 0.487 -7.311
135 HE2 LYS 18 1HE LYS 18 9.136 0.865 -5.796
136 HE3 LYS 18 2HE LYS 18 9.023 -0.813 -5.248
137 HZ1 LYS 18 3HZ LYS 18 10.666 -0.570 -7.016
138 HZ2 LYS 18 1HZ LYS 18 9.555 0.030 -8.048
139 HZ3 LYS 18 2HZ LYS 18 9.451 -1.522 -7.543
140 H TYR 19 H TYR 19 3.830 -1.890 -2.764
141 HA TYR 19 HA TYR 19 4.760 -2.943 -0.118
142 HB2 TYR 19 1HB TYR 19 1.952 -2.174 -0.981
143 HB3 TYR 19 2HB TYR 19 2.325 -3.077 0.483
144 HD1 TYR 19 1HD TYR 19 2.628 0.227 -1.186
145 HD2 TYR 19 2HD TYR 19 3.381 -2.029 2.416
146 HE1 TYR 19 1HE TYR 19 3.266 2.325 0.003
147 HE2 TYR 19 2HE TYR 19 4.007 0.068 3.598
148 HH TYR 19 HH TYR 19 4.365 2.314 3.407
149 H SER 20 H SER 20 4.476 -5.078 0.327
150 HA SER 20 HA SER 20 4.248 -6.895 -1.913
151 HB2 SER 20 1HB SER 20 4.442 -7.507 1.056
152 HB3 SER 20 2HB SER 20 4.766 -8.624 -0.284
153 HG SER 20 HG SER 20 6.696 -7.700 0.552
154 H ASP 21 H ASP 21 1.851 -5.621 0.196
155 HA ASP 21 HA ASP 21 -0.170 -7.499 -0.830
156 HB2 ASP 21 1HB ASP 21 0.771 -8.422 1.369
157 HB3 ASP 21 2HB ASP 21 0.082 -7.010 2.163
158 H VAL 22 H VAL 22 -2.252 -6.609 -0.907
159 HA VAL 22 HA VAL 22 -2.377 -3.741 -1.042
160 HB VAL 22 HB VAL 22 -3.633 -5.425 -2.440
161 HG11 VAL 22 1HG1 VAL 22 -5.677 -5.393 -0.188
162 HG12 VAL 22 2HG1 VAL 22 -5.819 -6.175 -1.770
163 HG13 VAL 22 3HG1 VAL 22 -4.635 -6.778 -0.601
164 HG21 VAL 22 3HG2 VAL 22 -5.527 -3.920 -2.810
165 HG22 VAL 22 1HG2 VAL 22 -5.215 -3.113 -1.257
166 HG23 VAL 22 2HG2 VAL 22 -4.026 -3.011 -2.572
167 H LYS 23 H LYS 23 -3.265 -6.021 1.503
168 HA LYS 23 HA LYS 23 -4.773 -4.067 3.087
169 HB2 LYS 23 1HB LYS 23 -3.416 -6.647 3.973
170 HB3 LYS 23 2HB LYS 23 -4.594 -5.721 4.896
171 HG2 LYS 23 1HG LYS 23 -5.131 -7.179 2.271
172 HG3 LYS 23 2HG LYS 23 -5.602 -7.698 3.888
173 HD2 LYS 23 1HD LYS 23 -7.062 -5.662 4.094
174 HD3 LYS 23 2HD LYS 23 -6.596 -5.193 2.453
175 HE2 LYS 23 1HE LYS 23 -8.720 -6.234 2.274
176 HE3 LYS 23 2HE LYS 23 -7.529 -7.334 1.576
177 HZ1 LYS 23 3HZ LYS 23 -9.111 -8.489 3.028
178 HZ2 LYS 23 1HZ LYS 23 -8.684 -7.579 4.310
179 HZ3 LYS 23 2HZ LYS 23 -7.611 -8.623 3.650
180 H ASN 24 H ASN 24 -1.350 -4.958 2.886
181 HA ASN 24 HA ASN 24 -0.544 -3.279 5.132
182 HB2 ASN 24 1HB ASN 24 1.001 -4.472 2.789
183 HB3 ASN 24 2HB ASN 24 1.744 -3.518 4.067
184 HD21 ASN 24 1HD2 ASN 24 2.706 -6.029 3.693
185 HD22 ASN 24 2HD2 ASN 24 2.186 -7.047 5.027
186 H LEU 25 H LEU 25 -0.782 -2.750 1.590
187 HA LEU 25 HA LEU 25 0.038 -0.015 1.583
188 HB2 LEU 25 1HB LEU 25 -0.126 -1.263 -0.455
189 HB3 LEU 25 2HB LEU 25 -1.819 -1.646 -0.179
190 HG LEU 25 HG LEU 25 -2.478 0.683 -0.535
191 HD11 LEU 25 1HD1 LEU 25 -0.416 1.862 0.231
192 HD12 LEU 25 2HD1 LEU 25 -0.854 2.318 -1.415
193 HD13 LEU 25 3HD1 LEU 25 0.475 1.180 -1.143
194 HD21 LEU 25 3HD2 LEU 25 -1.958 0.800 -2.928
195 HD22 LEU 25 1HD2 LEU 25 -2.341 -0.865 -2.449
196 HD23 LEU 25 2HD2 LEU 25 -0.648 -0.378 -2.709
197 H ILE 26 H ILE 26 -3.302 -1.388 1.949
198 HA ILE 26 HA ILE 26 -4.543 1.164 2.281
199 HB ILE 26 HB ILE 26 -5.408 -1.638 3.007
200 HG12 ILE 26 1HG1 ILE 26 -6.439 0.303 0.877
201 HG13 ILE 26 2HG1 ILE 26 -5.116 -0.803 0.558
202 HG21 ILE 26 1HG2 ILE 26 -6.595 -0.135 4.557
203 HG22 ILE 26 2HG2 ILE 26 -7.011 0.956 3.216
204 HG23 ILE 26 3HG2 ILE 26 -7.711 -0.676 3.312
205 HD11 ILE 26 3HD1 ILE 26 -7.950 -1.617 1.282
206 HD12 ILE 26 1HD1 ILE 26 -7.136 -1.771 -0.283
207 HD13 ILE 26 2HD1 ILE 26 -6.576 -2.738 1.097
208 H LYS 27 H LYS 27 -3.203 -1.096 4.723
209 HA LYS 27 HA LYS 27 -3.874 0.451 7.032
210 HB2 LYS 27 1HB LYS 27 -3.191 -1.916 7.060
211 HB3 LYS 27 2HB LYS 27 -1.555 -1.467 6.555
212 HG2 LYS 27 1HG LYS 27 -1.192 -0.268 8.665
213 HG3 LYS 27 2HG LYS 27 -2.885 -0.481 9.114
214 HD2 LYS 27 1HD LYS 27 -1.538 -2.069 10.358
215 HD3 LYS 27 2HD LYS 27 -2.588 -2.919 9.234
216 HE2 LYS 27 1HE LYS 27 -0.479 -4.019 9.184
217 HE3 LYS 27 2HE LYS 27 -0.654 -3.176 7.648
218 HZ1 LYS 27 3HZ LYS 27 1.562 -2.867 8.628
219 HZ2 LYS 27 1HZ LYS 27 0.934 -2.200 9.973
220 HZ3 LYS 27 2HZ LYS 27 0.814 -1.420 8.541
221 H HIS 28 H HIS 28 -1.056 0.679 4.841
222 HA HIS 28 HA HIS 28 0.229 2.837 6.265
223 HB2 HIS 28 1HB HIS 28 1.546 1.688 4.679
224 HB3 HIS 28 2HB HIS 28 0.342 1.826 3.411
225 HD1 HIS 28 1HD HIS 28 2.638 4.250 5.394
226 HD2 HIS 28 2HD HIS 28 0.559 3.822 1.766
227 HE1 HIS 28 1HE HIS 28 3.238 6.285 4.015
228 H ILE 29 H ILE 29 -2.059 2.910 3.456
229 HA ILE 29 HA ILE 29 -2.201 5.703 3.222
230 HB ILE 29 HB ILE 29 -4.237 3.559 2.555
231 HG12 ILE 29 1HG1 ILE 29 -2.476 5.267 0.729
232 HG13 ILE 29 2HG1 ILE 29 -1.982 3.694 1.331
233 HG21 ILE 29 1HG2 ILE 29 -5.508 5.649 2.857
234 HG22 ILE 29 2HG2 ILE 29 -4.345 6.527 1.831
235 HG23 ILE 29 3HG2 ILE 29 -5.405 5.272 1.155
236 HD11 ILE 29 3HD1 ILE 29 -2.861 3.406 -0.888
237 HD12 ILE 29 1HD1 ILE 29 -3.998 2.658 0.257
238 HD13 ILE 29 2HD1 ILE 29 -4.362 4.236 -0.484
239 H ARG 30 H ARG 30 -4.421 3.648 5.182
240 HA ARG 30 HA ARG 30 -5.918 5.915 6.149
241 HB2 ARG 30 1HB ARG 30 -7.120 4.358 7.462
242 HB3 ARG 30 2HB ARG 30 -6.694 3.520 5.965
243 HG2 ARG 30 1HG ARG 30 -4.710 2.522 7.257
244 HG3 ARG 30 2HG ARG 30 -5.455 3.174 8.722
245 HD2 ARG 30 1HD ARG 30 -7.553 1.905 8.155
246 HD3 ARG 30 2HD ARG 30 -6.693 1.198 6.772
247 HE ARG 30 HE ARG 30 -5.406 0.869 9.412
248 HH11 ARG 30 2HH1 ARG 30 -7.590 -0.664 7.139
249 HH12 ARG 30 1HH1 ARG 30 -7.318 -2.249 7.810
250 HH21 ARG 30 2HH2 ARG 30 -5.158 -1.172 10.254
251 HH22 ARG 30 1HH2 ARG 30 -5.984 -2.518 9.530
252 H ASP 31 H ASP 31 -2.851 4.830 7.176
253 HA ASP 31 HA ASP 31 -3.063 6.202 9.804
254 HB2 ASP 31 1HB ASP 31 -1.977 3.986 9.644
255 HB3 ASP 31 2HB ASP 31 -0.782 4.646 8.530
256 H ALA 32 H ALA 32 -1.246 6.431 6.730
257 HA ALA 32 HA ALA 32 0.177 8.828 7.644
258 HB1 ALA 32 1HB ALA 32 1.539 8.420 5.648
259 HB2 ALA 32 2HB ALA 32 1.337 6.928 6.589
260 HB3 ALA 32 3HB ALA 32 0.398 7.177 5.098
261 H HIS 33 H HIS 33 -2.488 8.198 5.410
262 HA HIS 33 HA HIS 33 -2.329 11.024 4.403
263 HB2 HIS 33 1HB HIS 33 -3.023 8.565 2.770
264 HB3 HIS 33 2HB HIS 33 -2.841 10.215 2.186
265 HD1 HIS 33 1HD HIS 33 -0.076 11.147 2.831
266 HD2 HIS 33 2HD HIS 33 -0.993 7.095 2.223
267 HE1 HIS 33 1HE HIS 33 2.119 10.026 2.190
268 H ASP 34 H ASP 34 -4.487 8.244 4.924
269 HA ASP 34 HA ASP 34 -6.743 8.003 4.974
270 HB2 ASP 34 1HB ASP 34 -6.047 8.566 7.216
271 HB3 ASP 34 2HB ASP 34 -6.303 10.276 6.911
272 HA PRO 35 HA PRO 35 -7.685 11.492 2.055
273 HB2 PRO 35 1HB PRO 35 -8.123 10.134 -0.267
274 HB3 PRO 35 2HB PRO 35 -6.482 10.445 0.376
275 HG2 PRO 35 1HG PRO 35 -8.162 7.930 0.727
276 HG3 PRO 35 2HG PRO 35 -6.471 8.047 0.149
277 HD2 PRO 35 1HD PRO 35 -7.034 7.517 2.749
278 HD3 PRO 35 2HD PRO 35 -5.665 8.582 2.299
279 H GLN 36 H GLN 36 -9.612 8.571 2.643
280 HA GLN 36 HA GLN 36 -12.141 10.099 2.308
281 HB2 GLN 36 1HB GLN 36 -11.452 7.533 0.818
282 HB3 GLN 36 2HB GLN 36 -13.095 8.124 1.019
283 HG2 GLN 36 1HG GLN 36 -10.902 9.665 -0.434
284 HG3 GLN 36 2HG GLN 36 -12.074 8.611 -1.201
285 HE21 GLN 36 1HE2 GLN 36 -11.732 11.701 0.559
286 HE22 GLN 36 2HE2 GLN 36 -13.297 12.331 0.027
287 H ASP 37 H ASP 37 -11.035 6.722 2.918
288 HA ASP 37 HA ASP 37 -12.415 6.599 5.522
289 HB2 ASP 37 1HB ASP 37 -14.189 6.133 3.857
290 HB3 ASP 37 2HB ASP 37 -13.198 4.873 3.137
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 5.108 -25.733 -4.842
2 H2 GLY 1 2H GLY 1 5.973 -24.800 -5.875
3 H3 GLY 1 3H GLY 1 4.354 -24.594 -5.747
4 HA2 GLY 1 1HA GLY 1 4.560 -23.829 -3.477
5 HA3 GLY 1 2HA GLY 1 6.313 -24.068 -3.603
6 H SER 2 H SER 2 4.466 -21.640 -3.222
7 HA SER 2 HA SER 2 5.621 -19.874 -5.343
8 HB2 SER 2 1HB SER 2 2.779 -19.761 -4.293
9 HB3 SER 2 2HB SER 2 3.496 -18.706 -5.525
10 HG SER 2 HG SER 2 3.726 -20.509 -6.884
11 H SER 3 H SER 3 6.669 -20.268 -2.685
12 HA SER 3 HA SER 3 5.926 -18.173 -0.888
13 HB2 SER 3 1HB SER 3 7.305 -20.148 -0.276
14 HB3 SER 3 2HB SER 3 8.657 -19.471 -1.206
15 HG SER 3 HG SER 3 8.734 -18.933 1.050
16 H GLY 4 H GLY 4 6.311 -16.055 -0.881
17 HA2 GLY 4 1HA GLY 4 7.111 -13.952 -1.425
18 HA3 GLY 4 2HA GLY 4 8.444 -14.691 -2.312
19 H SER 5 H SER 5 7.026 -16.179 -4.278
20 HA SER 5 HA SER 5 6.479 -14.093 -6.168
21 HB2 SER 5 1HB SER 5 6.077 -15.923 -7.760
22 HB3 SER 5 2HB SER 5 7.593 -16.090 -6.861
23 HG SER 5 HG SER 5 6.422 -18.060 -6.999
24 H SER 6 H SER 6 4.272 -15.828 -4.081
25 HA SER 6 HA SER 6 1.855 -15.090 -5.504
26 HB2 SER 6 1HB SER 6 2.371 -15.820 -2.602
27 HB3 SER 6 2HB SER 6 0.762 -15.487 -3.266
28 HG SER 6 HG SER 6 1.233 -17.714 -3.308
29 H GLY 7 H GLY 7 4.096 -13.077 -3.857
30 HA2 GLY 7 1HA GLY 7 2.313 -11.072 -2.782
31 HA3 GLY 7 2HA GLY 7 4.019 -10.868 -3.172
32 H ILE 8 H ILE 8 1.968 -8.926 -3.600
33 HA ILE 8 HA ILE 8 1.856 -8.712 -6.582
34 HB ILE 8 HB ILE 8 -0.313 -7.752 -4.691
35 HG12 ILE 8 1HG1 ILE 8 -1.596 -9.675 -6.090
36 HG13 ILE 8 2HG1 ILE 8 -0.007 -10.417 -6.059
37 HG21 ILE 8 1HG2 ILE 8 -0.248 -6.490 -6.786
38 HG22 ILE 8 2HG2 ILE 8 -0.158 -8.000 -7.732
39 HG23 ILE 8 3HG2 ILE 8 -1.622 -7.573 -6.830
40 HD11 ILE 8 3HD1 ILE 8 -1.441 -11.172 -4.195
41 HD12 ILE 8 1HD1 ILE 8 -0.063 -10.278 -3.533
42 HD13 ILE 8 2HD1 ILE 8 -1.653 -9.499 -3.647
43 H LYS 9 H LYS 9 1.987 -6.595 -7.448
44 HA LYS 9 HA LYS 9 3.762 -4.860 -5.834
45 HB2 LYS 9 1HB LYS 9 4.584 -4.020 -7.960
46 HB3 LYS 9 2HB LYS 9 4.777 -5.754 -7.742
47 HG2 LYS 9 1HG LYS 9 2.878 -6.204 -9.257
48 HG3 LYS 9 2HG LYS 9 2.608 -4.462 -9.460
49 HD2 LYS 9 1HD LYS 9 4.899 -4.225 -10.404
50 HD3 LYS 9 2HD LYS 9 5.176 -5.949 -10.147
51 HE2 LYS 9 1HE LYS 9 4.663 -5.672 -12.461
52 HE3 LYS 9 2HE LYS 9 3.287 -6.476 -11.704
53 HZ1 LYS 9 3HZ LYS 9 2.137 -4.319 -11.675
54 HZ2 LYS 9 1HZ LYS 9 2.591 -4.683 -13.198
55 HZ3 LYS 9 2HZ LYS 9 3.429 -3.573 -12.348
56 H GLN 10 H GLN 10 1.578 -4.210 -4.743
57 HA GLN 10 HA GLN 10 0.176 -1.992 -6.055
58 HB2 GLN 10 1HB GLN 10 0.270 -2.963 -3.162
59 HB3 GLN 10 2HB GLN 10 -0.531 -1.492 -3.657
60 HG2 GLN 10 1HG GLN 10 -2.291 -2.952 -3.663
61 HG3 GLN 10 2HG GLN 10 -1.859 -2.882 -5.360
62 HE21 GLN 10 1HE2 GLN 10 -3.195 -4.960 -5.320
63 HE22 GLN 10 2HE2 GLN 10 -2.334 -6.436 -4.910
64 H HIS 11 H HIS 11 0.354 0.233 -5.580
65 HA HIS 11 HA HIS 11 2.622 1.107 -3.930
66 HB2 HIS 11 1HB HIS 11 3.475 2.684 -5.477
67 HB3 HIS 11 2HB HIS 11 3.439 1.123 -6.283
68 HD1 HIS 11 1HD HIS 11 1.499 4.497 -6.284
69 HD2 HIS 11 2HD HIS 11 2.012 0.958 -8.521
70 HE1 HIS 11 1HE HIS 11 0.345 4.887 -8.519
71 H CYS 12 H CYS 12 2.481 3.159 -3.048
72 HA CYS 12 HA CYS 12 -0.101 4.095 -2.301
73 HB2 CYS 12 1HB CYS 12 1.845 4.212 -0.902
74 HB3 CYS 12 2HB CYS 12 2.665 5.296 -2.042
75 H ARG 13 H ARG 13 -1.206 5.845 -2.754
76 HA ARG 13 HA ARG 13 -1.112 6.985 -5.483
77 HB2 ARG 13 1HB ARG 13 -3.238 6.195 -4.622
78 HB3 ARG 13 2HB ARG 13 -3.039 7.094 -3.123
79 HG2 ARG 13 1HG ARG 13 -4.702 8.148 -4.495
80 HG3 ARG 13 2HG ARG 13 -3.338 9.226 -4.295
81 HD2 ARG 13 1HD ARG 13 -2.504 8.444 -6.596
82 HD3 ARG 13 2HD ARG 13 -4.006 7.540 -6.750
83 HE ARG 13 HE ARG 13 -5.163 9.511 -7.155
84 HH11 ARG 13 2HH1 ARG 13 -1.977 10.449 -5.964
85 HH12 ARG 13 1HH1 ARG 13 -2.218 12.111 -6.435
86 HH21 ARG 13 2HH2 ARG 13 -5.381 11.649 -7.688
87 HH22 ARG 13 1HH2 ARG 13 -4.091 12.768 -7.363
88 H PHE 14 H PHE 14 -0.280 7.924 -2.253
89 HA PHE 14 HA PHE 14 -0.220 10.822 -2.962
90 HB2 PHE 14 1HB PHE 14 -0.238 9.466 -0.263
91 HB3 PHE 14 2HB PHE 14 -0.448 11.180 -0.574
92 HD1 PHE 14 2HD PHE 14 -2.530 11.903 -1.966
93 HD2 PHE 14 1HD PHE 14 -2.088 7.978 -0.232
94 HE1 PHE 14 2HE PHE 14 -4.975 11.523 -2.193
95 HE2 PHE 14 1HE PHE 14 -4.531 7.603 -0.457
96 HZ PHE 14 HZ PHE 14 -5.977 9.372 -1.445
97 H CYS 15 H CYS 15 1.929 8.265 -1.782
98 HA CYS 15 HA CYS 15 4.203 10.151 -2.096
99 HB2 CYS 15 1HB CYS 15 5.299 9.437 -0.155
100 HB3 CYS 15 2HB CYS 15 3.698 10.030 0.266
101 H LYS 16 H LYS 16 2.945 7.513 -3.374
102 HA LYS 16 HA LYS 16 3.605 5.866 -4.772
103 HB2 LYS 16 1HB LYS 16 5.951 7.718 -5.240
104 HB3 LYS 16 2HB LYS 16 5.415 6.425 -6.320
105 HG2 LYS 16 1HG LYS 16 3.177 7.529 -6.510
106 HG3 LYS 16 2HG LYS 16 3.790 8.895 -5.570
107 HD2 LYS 16 1HD LYS 16 4.913 7.938 -8.239
108 HD3 LYS 16 2HD LYS 16 3.815 9.306 -8.010
109 HE2 LYS 16 1HE LYS 16 5.509 10.422 -6.559
110 HE3 LYS 16 2HE LYS 16 6.623 9.075 -6.834
111 HZ1 LYS 16 3HZ LYS 16 6.590 9.619 -9.211
112 HZ2 LYS 16 1HZ LYS 16 7.076 10.915 -8.348
113 HZ3 LYS 16 2HZ LYS 16 5.564 10.866 -8.956
114 H LYS 17 H LYS 17 4.808 5.632 -1.953
115 HA LYS 17 HA LYS 17 7.009 3.790 -2.116
116 HB2 LYS 17 1HB LYS 17 4.735 4.187 -0.128
117 HB3 LYS 17 2HB LYS 17 6.030 3.010 0.125
118 HG2 LYS 17 1HG LYS 17 7.716 4.815 0.036
119 HG3 LYS 17 2HG LYS 17 6.428 5.991 -0.297
120 HD2 LYS 17 1HD LYS 17 5.372 5.349 1.915
121 HD3 LYS 17 2HD LYS 17 6.776 4.326 2.231
122 HE2 LYS 17 1HE LYS 17 6.963 6.484 3.384
123 HE3 LYS 17 2HE LYS 17 8.261 6.286 2.203
124 HZ1 LYS 17 3HZ LYS 17 7.098 8.518 2.197
125 HZ2 LYS 17 1HZ LYS 17 5.768 7.778 1.563
126 HZ3 LYS 17 2HZ LYS 17 7.164 7.790 0.735
127 H LYS 18 H LYS 18 7.013 1.551 -1.995
128 HA LYS 18 HA LYS 18 4.732 0.215 -3.413
129 HB2 LYS 18 1HB LYS 18 7.661 -0.555 -3.255
130 HB3 LYS 18 2HB LYS 18 6.396 -1.525 -4.026
131 HG2 LYS 18 1HG LYS 18 5.856 0.381 -5.541
132 HG3 LYS 18 2HG LYS 18 7.193 1.305 -4.851
133 HD2 LYS 18 1HD LYS 18 7.456 -1.366 -6.303
134 HD3 LYS 18 2HD LYS 18 7.754 0.228 -7.013
135 HE2 LYS 18 1HE LYS 18 9.551 0.639 -5.331
136 HE3 LYS 18 2HE LYS 18 9.288 -0.979 -4.667
137 HZ1 LYS 18 3HZ LYS 18 11.119 -0.967 -6.258
138 HZ2 LYS 18 1HZ LYS 18 10.159 -0.404 -7.450
139 HZ3 LYS 18 2HZ LYS 18 9.914 -1.900 -6.837
140 H TYR 19 H TYR 19 3.727 -1.539 -2.713
141 HA TYR 19 HA TYR 19 4.437 -2.732 -0.075
142 HB2 TYR 19 1HB TYR 19 1.762 -1.543 -0.891
143 HB3 TYR 19 2HB TYR 19 1.956 -2.653 0.460
144 HD1 TYR 19 2HD TYR 19 3.416 -2.072 2.405
145 HD2 TYR 19 1HD TYR 19 2.462 0.803 -0.673
146 HE1 TYR 19 2HE TYR 19 4.289 -0.237 3.844
147 HE2 TYR 19 1HE TYR 19 3.351 2.632 0.769
148 HH TYR 19 HH TYR 19 4.315 3.171 2.780
149 H SER 20 H SER 20 4.046 -4.860 0.162
150 HA SER 20 HA SER 20 3.876 -6.421 -2.220
151 HB2 SER 20 1HB SER 20 3.863 -7.382 0.655
152 HB3 SER 20 2HB SER 20 4.336 -8.305 -0.783
153 HG SER 20 HG SER 20 6.157 -7.453 0.331
154 H ASP 21 H ASP 21 1.304 -5.287 -0.369
155 HA ASP 21 HA ASP 21 -0.623 -7.059 -1.634
156 HB2 ASP 21 1HB ASP 21 0.118 -8.281 0.489
157 HB3 ASP 21 2HB ASP 21 -0.545 -6.937 1.413
158 H VAL 22 H VAL 22 -2.773 -6.178 -1.564
159 HA VAL 22 HA VAL 22 -2.939 -3.328 -1.458
160 HB VAL 22 HB VAL 22 -4.307 -4.914 -2.852
161 HG11 VAL 22 1HG1 VAL 22 -6.400 -5.780 -2.046
162 HG12 VAL 22 2HG1 VAL 22 -5.095 -6.441 -1.049
163 HG13 VAL 22 3HG1 VAL 22 -6.121 -5.125 -0.423
164 HG21 VAL 22 3HG2 VAL 22 -4.773 -2.502 -2.729
165 HG22 VAL 22 1HG2 VAL 22 -6.258 -3.447 -2.926
166 HG23 VAL 22 2HG2 VAL 22 -5.842 -2.771 -1.339
167 H LYS 23 H LYS 23 -3.691 -5.768 1.010
168 HA LYS 23 HA LYS 23 -5.034 -3.910 2.822
169 HB2 LYS 23 1HB LYS 23 -3.589 -6.532 3.406
170 HB3 LYS 23 2HB LYS 23 -4.614 -5.657 4.536
171 HG2 LYS 23 1HG LYS 23 -5.529 -6.938 1.926
172 HG3 LYS 23 2HG LYS 23 -5.793 -7.551 3.561
173 HD2 LYS 23 1HD LYS 23 -7.073 -5.414 4.066
174 HD3 LYS 23 2HD LYS 23 -6.989 -5.017 2.345
175 HE2 LYS 23 1HE LYS 23 -8.224 -7.544 3.533
176 HE3 LYS 23 2HE LYS 23 -9.129 -6.109 3.050
177 HZ1 LYS 23 3HZ LYS 23 -8.374 -6.465 0.762
178 HZ2 LYS 23 1HZ LYS 23 -9.162 -7.783 1.307
179 HZ3 LYS 23 2HZ LYS 23 -7.536 -7.806 1.201
180 H ASN 24 H ASN 24 -1.634 -4.765 2.320
181 HA ASN 24 HA ASN 24 -0.663 -3.254 4.615
182 HB2 ASN 24 1HB ASN 24 0.740 -4.261 2.099
183 HB3 ASN 24 2HB ASN 24 1.548 -3.472 3.450
184 HD21 ASN 24 1HD2 ASN 24 2.580 -5.828 2.924
185 HD22 ASN 24 2HD2 ASN 24 2.018 -7.039 4.065
186 H LEU 25 H LEU 25 -1.145 -2.487 1.141
187 HA LEU 25 HA LEU 25 -0.298 0.247 1.284
188 HB2 LEU 25 1HB LEU 25 -0.578 -0.783 -0.855
189 HB3 LEU 25 2HB LEU 25 -2.235 -1.258 -0.504
190 HG LEU 25 HG LEU 25 -2.988 1.072 -0.551
191 HD11 LEU 25 1HD1 LEU 25 -1.492 2.853 -1.345
192 HD12 LEU 25 2HD1 LEU 25 -0.103 1.736 -1.333
193 HD13 LEU 25 3HD1 LEU 25 -0.885 2.224 0.180
194 HD21 LEU 25 3HD2 LEU 25 -2.764 1.480 -2.912
195 HD22 LEU 25 1HD2 LEU 25 -2.909 -0.269 -2.655
196 HD23 LEU 25 2HD2 LEU 25 -1.321 0.465 -3.008
197 H ILE 26 H ILE 26 -3.592 -1.188 1.794
198 HA ILE 26 HA ILE 26 -4.835 1.319 2.346
199 HB ILE 26 HB ILE 26 -5.594 -1.534 2.993
200 HG12 ILE 26 1HG1 ILE 26 -6.851 0.510 1.094
201 HG13 ILE 26 2HG1 ILE 26 -5.533 -0.531 0.588
202 HG21 ILE 26 1HG2 ILE 26 -7.876 -0.659 3.556
203 HG22 ILE 26 2HG2 ILE 26 -6.669 -0.164 4.732
204 HG23 ILE 26 3HG2 ILE 26 -7.231 0.996 3.505
205 HD11 ILE 26 3HD1 ILE 26 -6.888 -2.541 1.108
206 HD12 ILE 26 1HD1 ILE 26 -8.269 -1.484 1.498
207 HD13 ILE 26 2HD1 ILE 26 -7.598 -1.498 -0.141
208 H LYS 27 H LYS 27 -3.349 -1.038 4.694
209 HA LYS 27 HA LYS 27 -3.762 0.509 6.991
210 HB2 LYS 27 1HB LYS 27 -3.003 -1.881 6.813
211 HB3 LYS 27 2HB LYS 27 -1.433 -1.333 6.227
212 HG2 LYS 27 1HG LYS 27 -1.443 -1.964 8.609
213 HG3 LYS 27 2HG LYS 27 -0.942 -0.282 8.371
214 HD2 LYS 27 1HD LYS 27 -3.002 0.580 9.216
215 HD3 LYS 27 2HD LYS 27 -3.850 -0.954 8.939
216 HE2 LYS 27 1HE LYS 27 -3.517 -0.682 11.273
217 HE3 LYS 27 2HE LYS 27 -2.558 -2.043 10.660
218 HZ1 LYS 27 3HZ LYS 27 -1.351 -0.494 12.249
219 HZ2 LYS 27 1HZ LYS 27 -1.399 0.674 11.092
220 HZ3 LYS 27 2HZ LYS 27 -0.581 -0.707 10.824
221 H HIS 28 H HIS 28 -1.070 0.723 4.615
222 HA HIS 28 HA HIS 28 0.341 2.827 5.952
223 HB2 HIS 28 1HB HIS 28 1.437 1.651 4.206
224 HB3 HIS 28 2HB HIS 28 0.153 1.965 3.051
225 HD1 HIS 28 1HD HIS 28 2.655 4.159 5.067
226 HD2 HIS 28 2HD HIS 28 0.534 3.948 1.445
227 HE1 HIS 28 1HE HIS 28 3.351 6.206 3.746
228 H ILE 29 H ILE 29 -2.287 3.023 3.471
229 HA ILE 29 HA ILE 29 -2.414 5.865 3.398
230 HB ILE 29 HB ILE 29 -4.513 3.753 2.819
231 HG12 ILE 29 1HG1 ILE 29 -2.955 5.575 0.923
232 HG13 ILE 29 2HG1 ILE 29 -2.400 3.968 1.367
233 HG21 ILE 29 1HG2 ILE 29 -5.713 5.832 3.407
234 HG22 ILE 29 2HG2 ILE 29 -4.672 6.760 2.301
235 HG23 ILE 29 3HG2 ILE 29 -5.820 5.554 1.684
236 HD11 ILE 29 3HD1 ILE 29 -3.525 3.838 -0.762
237 HD12 ILE 29 1HD1 ILE 29 -4.503 2.982 0.450
238 HD13 ILE 29 2HD1 ILE 29 -4.979 4.601 -0.122
239 H ARG 30 H ARG 30 -4.384 3.629 5.454
240 HA ARG 30 HA ARG 30 -5.722 5.827 6.731
241 HB2 ARG 30 1HB ARG 30 -6.740 4.256 8.193
242 HB3 ARG 30 2HB ARG 30 -6.764 3.671 6.538
243 HG2 ARG 30 1HG ARG 30 -5.746 1.803 7.060
244 HG3 ARG 30 2HG ARG 30 -4.404 2.622 7.858
245 HD2 ARG 30 1HD ARG 30 -7.079 2.096 9.202
246 HD3 ARG 30 2HD ARG 30 -5.706 0.992 9.291
247 HE ARG 30 HE ARG 30 -4.363 2.893 10.279
248 HH11 ARG 30 2HH1 ARG 30 -7.847 2.980 10.822
249 HH12 ARG 30 1HH1 ARG 30 -7.637 3.980 12.235
250 HH21 ARG 30 2HH2 ARG 30 -4.189 4.047 11.921
251 HH22 ARG 30 1HH2 ARG 30 -5.568 4.597 12.883
252 H ASP 31 H ASP 31 -2.599 4.522 7.445
253 HA ASP 31 HA ASP 31 -2.526 5.880 10.089
254 HB2 ASP 31 1HB ASP 31 -0.579 4.080 8.614
255 HB3 ASP 31 2HB ASP 31 -0.188 4.917 10.108
256 H ALA 32 H ALA 32 -1.182 6.343 6.805
257 HA ALA 32 HA ALA 32 0.461 8.607 7.821
258 HB1 ALA 32 1HB ALA 32 1.562 6.655 6.748
259 HB2 ALA 32 2HB ALA 32 0.695 7.031 5.238
260 HB3 ALA 32 3HB ALA 32 1.863 8.187 5.903
261 H HIS 33 H HIS 33 -2.289 8.114 5.680
262 HA HIS 33 HA HIS 33 -1.990 10.932 4.672
263 HB2 HIS 33 1HB HIS 33 -2.954 8.506 3.125
264 HB3 HIS 33 2HB HIS 33 -2.860 10.157 2.521
265 HD1 HIS 33 1HD HIS 33 -0.059 11.129 2.854
266 HD2 HIS 33 2HD HIS 33 -0.990 7.076 2.271
267 HE1 HIS 33 1HE HIS 33 2.055 10.060 1.920
268 H ASP 34 H ASP 34 -4.283 8.392 5.589
269 HA ASP 34 HA ASP 34 -6.532 8.375 5.838
270 HB2 ASP 34 1HB ASP 34 -7.220 9.574 7.799
271 HB3 ASP 34 2HB ASP 34 -5.649 8.828 7.968
272 HA PRO 35 HA PRO 35 -7.678 11.876 2.959
273 HB2 PRO 35 1HB PRO 35 -8.172 10.550 0.643
274 HB3 PRO 35 2HB PRO 35 -6.502 10.855 1.211
275 HG2 PRO 35 1HG PRO 35 -8.167 8.340 1.638
276 HG3 PRO 35 2HG PRO 35 -6.524 8.456 0.931
277 HD2 PRO 35 1HD PRO 35 -6.893 7.913 3.568
278 HD3 PRO 35 2HD PRO 35 -5.553 8.962 3.008
279 H GLN 36 H GLN 36 -9.354 9.354 4.395
280 HA GLN 36 HA GLN 36 -11.923 9.708 3.002
281 HB2 GLN 36 1HB GLN 36 -11.146 7.871 5.294
282 HB3 GLN 36 2HB GLN 36 -12.656 7.806 4.390
283 HG2 GLN 36 1HG GLN 36 -9.881 7.257 3.245
284 HG3 GLN 36 2HG GLN 36 -11.070 6.053 3.697
285 HE21 GLN 36 1HE2 GLN 36 -10.030 6.010 1.123
286 HE22 GLN 36 2HE2 GLN 36 -11.297 6.500 0.006
287 H ASP 37 H ASP 37 -10.604 11.724 5.034
288 HA ASP 37 HA ASP 37 -12.380 11.976 7.259
289 HB2 ASP 37 1HB ASP 37 -11.279 13.978 7.743
290 HB3 ASP 37 2HB ASP 37 -10.058 12.912 7.079
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 16.973 -2.303 -16.002
2 H2 GLY 1 2H GLY 1 18.141 -3.036 -15.120
3 H3 GLY 1 3H GLY 1 17.580 -1.564 -14.671
4 HA2 GLY 1 1HA GLY 1 16.671 -3.267 -13.233
5 HA3 GLY 1 2HA GLY 1 15.408 -2.452 -14.174
6 H SER 2 H SER 2 15.362 -5.135 -12.984
7 HA SER 2 HA SER 2 15.733 -7.175 -14.945
8 HB2 SER 2 1HB SER 2 13.889 -7.155 -12.528
9 HB3 SER 2 2HB SER 2 14.434 -8.585 -13.426
10 HG SER 2 HG SER 2 15.706 -8.199 -11.545
11 H SER 3 H SER 3 14.339 -8.262 -16.311
12 HA SER 3 HA SER 3 12.007 -6.802 -17.305
13 HB2 SER 3 1HB SER 3 12.009 -8.585 -19.035
14 HB3 SER 3 2HB SER 3 13.554 -7.732 -18.886
15 HG SER 3 HG SER 3 13.824 -10.019 -19.008
16 H GLY 4 H GLY 4 12.517 -9.622 -15.273
17 HA2 GLY 4 1HA GLY 4 9.818 -10.695 -15.513
18 HA3 GLY 4 2HA GLY 4 11.051 -11.188 -14.360
19 H SER 5 H SER 5 8.289 -10.871 -13.824
20 HA SER 5 HA SER 5 8.336 -8.899 -11.592
21 HB2 SER 5 1HB SER 5 6.190 -9.153 -13.730
22 HB3 SER 5 2HB SER 5 5.900 -8.398 -12.155
23 HG SER 5 HG SER 5 6.641 -7.055 -14.079
24 H SER 6 H SER 6 7.385 -9.602 -9.758
25 HA SER 6 HA SER 6 6.619 -12.399 -9.532
26 HB2 SER 6 1HB SER 6 6.760 -10.236 -7.407
27 HB3 SER 6 2HB SER 6 6.639 -11.986 -7.134
28 HG SER 6 HG SER 6 8.806 -11.240 -6.993
29 H GLY 7 H GLY 7 4.723 -11.412 -11.137
30 HA2 GLY 7 1HA GLY 7 2.405 -11.369 -11.420
31 HA3 GLY 7 2HA GLY 7 2.199 -11.675 -9.698
32 H ILE 8 H ILE 8 0.642 -10.137 -9.305
33 HA ILE 8 HA ILE 8 0.694 -7.433 -10.246
34 HB ILE 8 HB ILE 8 -1.150 -6.968 -8.944
35 HG12 ILE 8 1HG1 ILE 8 -0.631 -7.917 -6.792
36 HG13 ILE 8 2HG1 ILE 8 -2.207 -8.371 -7.390
37 HG21 ILE 8 1HG2 ILE 8 -2.737 -8.608 -9.769
38 HG22 ILE 8 2HG2 ILE 8 -1.504 -8.249 -10.986
39 HG23 ILE 8 3HG2 ILE 8 -1.440 -9.774 -10.082
40 HD11 ILE 8 3HD1 ILE 8 -1.340 -10.660 -7.937
41 HD12 ILE 8 1HD1 ILE 8 0.236 -10.184 -7.250
42 HD13 ILE 8 2HD1 ILE 8 -1.199 -10.246 -6.223
43 H LYS 9 H LYS 9 0.880 -5.476 -9.088
44 HA LYS 9 HA LYS 9 2.663 -5.493 -6.681
45 HB2 LYS 9 1HB LYS 9 2.997 -3.726 -9.141
46 HB3 LYS 9 2HB LYS 9 3.983 -3.683 -7.675
47 HG2 LYS 9 1HG LYS 9 4.785 -5.994 -8.145
48 HG3 LYS 9 2HG LYS 9 3.792 -6.031 -9.615
49 HD2 LYS 9 1HD LYS 9 5.055 -4.021 -10.460
50 HD3 LYS 9 2HD LYS 9 6.157 -4.193 -9.073
51 HE2 LYS 9 1HE LYS 9 6.708 -6.502 -9.797
52 HE3 LYS 9 2HE LYS 9 5.538 -6.375 -11.116
53 HZ1 LYS 9 3HZ LYS 9 8.055 -4.821 -10.872
54 HZ2 LYS 9 1HZ LYS 9 6.913 -4.523 -12.007
55 HZ3 LYS 9 2HZ LYS 9 7.684 -5.955 -12.006
56 H GLN 10 H GLN 10 2.283 -3.947 -5.194
57 HA GLN 10 HA GLN 10 -0.030 -2.084 -5.600
58 HB2 GLN 10 1HB GLN 10 0.948 -3.723 -3.267
59 HB3 GLN 10 2HB GLN 10 0.244 -2.158 -2.933
60 HG2 GLN 10 1HG GLN 10 -1.391 -3.954 -2.768
61 HG3 GLN 10 2HG GLN 10 -1.844 -2.764 -3.986
62 HE21 GLN 10 1HE2 GLN 10 -0.138 -6.001 -3.736
63 HE22 GLN 10 2HE2 GLN 10 -0.923 -6.594 -5.194
64 H HIS 11 H HIS 11 0.129 0.050 -5.003
65 HA HIS 11 HA HIS 11 2.633 1.123 -3.932
66 HB2 HIS 11 1HB HIS 11 2.708 2.801 -5.910
67 HB3 HIS 11 2HB HIS 11 3.395 1.200 -6.099
68 HD1 HIS 11 1HD HIS 11 2.864 0.249 -8.417
69 HD2 HIS 11 2HD HIS 11 -0.234 2.592 -6.802
70 HE1 HIS 11 1HE HIS 11 0.973 0.213 -10.127
71 H CYS 12 H CYS 12 2.532 3.215 -3.174
72 HA CYS 12 HA CYS 12 -0.170 4.185 -2.434
73 HB2 CYS 12 1HB CYS 12 1.582 3.929 -0.718
74 HB3 CYS 12 2HB CYS 12 2.627 5.053 -1.616
75 H ARG 13 H ARG 13 -1.161 5.744 -3.306
76 HA ARG 13 HA ARG 13 -0.061 7.151 -5.625
77 HB2 ARG 13 1HB ARG 13 -2.271 7.984 -5.945
78 HB3 ARG 13 2HB ARG 13 -2.299 6.251 -5.675
79 HG2 ARG 13 1HG ARG 13 -3.080 6.631 -3.332
80 HG3 ARG 13 2HG ARG 13 -3.076 8.387 -3.630
81 HD2 ARG 13 1HD ARG 13 -4.713 8.124 -5.427
82 HD3 ARG 13 2HD ARG 13 -4.651 6.357 -5.266
83 HE ARG 13 HE ARG 13 -5.374 7.459 -2.746
84 HH11 ARG 13 2HH1 ARG 13 -6.824 7.135 -5.922
85 HH12 ARG 13 1HH1 ARG 13 -8.443 7.073 -5.279
86 HH21 ARG 13 2HH2 ARG 13 -7.496 7.304 -1.996
87 HH22 ARG 13 1HH2 ARG 13 -8.804 7.199 -3.135
88 H PHE 14 H PHE 14 -0.185 7.862 -2.280
89 HA PHE 14 HA PHE 14 -0.186 10.797 -2.685
90 HB2 PHE 14 1HB PHE 14 -0.176 9.137 -0.161
91 HB3 PHE 14 2HB PHE 14 -0.405 10.874 -0.248
92 HD1 PHE 14 2HD PHE 14 -2.451 11.759 -1.576
93 HD2 PHE 14 1HD PHE 14 -2.049 7.672 -0.260
94 HE1 PHE 14 2HE PHE 14 -4.911 11.460 -1.747
95 HE2 PHE 14 1HE PHE 14 -4.509 7.383 -0.401
96 HZ PHE 14 HZ PHE 14 -5.944 9.288 -1.153
97 H CYS 15 H CYS 15 2.091 8.273 -1.593
98 HA CYS 15 HA CYS 15 4.256 10.325 -1.560
99 HB2 CYS 15 1HB CYS 15 5.258 9.329 0.358
100 HB3 CYS 15 2HB CYS 15 3.615 9.849 0.717
101 H LYS 16 H LYS 16 3.256 7.808 -3.269
102 HA LYS 16 HA LYS 16 4.123 6.498 -4.874
103 HB2 LYS 16 1HB LYS 16 6.652 8.127 -4.816
104 HB3 LYS 16 2HB LYS 16 5.911 7.288 -6.173
105 HG2 LYS 16 1HG LYS 16 4.940 9.834 -4.822
106 HG3 LYS 16 2HG LYS 16 5.617 9.658 -6.435
107 HD2 LYS 16 1HD LYS 16 3.619 8.331 -7.130
108 HD3 LYS 16 2HD LYS 16 2.921 8.557 -5.510
109 HE2 LYS 16 1HE LYS 16 3.113 11.050 -5.833
110 HE3 LYS 16 2HE LYS 16 3.657 10.757 -7.488
111 HZ1 LYS 16 3HZ LYS 16 1.003 10.016 -6.363
112 HZ2 LYS 16 1HZ LYS 16 1.499 9.629 -7.884
113 HZ3 LYS 16 2HZ LYS 16 1.293 11.190 -7.455
114 H LYS 17 H LYS 17 4.832 5.782 -2.005
115 HA LYS 17 HA LYS 17 7.086 3.962 -2.169
116 HB2 LYS 17 1HB LYS 17 4.631 4.074 -0.361
117 HB3 LYS 17 2HB LYS 17 5.874 2.835 -0.216
118 HG2 LYS 17 1HG LYS 17 7.603 4.655 0.099
119 HG3 LYS 17 2HG LYS 17 6.278 5.827 0.122
120 HD2 LYS 17 1HD LYS 17 6.704 5.348 2.403
121 HD3 LYS 17 2HD LYS 17 5.244 4.420 2.004
122 HE2 LYS 17 1HE LYS 17 6.729 2.396 1.628
123 HE3 LYS 17 2HE LYS 17 8.104 3.364 2.176
124 HZ1 LYS 17 3HZ LYS 17 5.702 2.656 3.776
125 HZ2 LYS 17 1HZ LYS 17 6.902 3.647 4.315
126 HZ3 LYS 17 2HZ LYS 17 7.209 2.074 3.998
127 H LYS 18 H LYS 18 6.880 1.657 -1.947
128 HA LYS 18 HA LYS 18 4.774 0.395 -3.677
129 HB2 LYS 18 1HB LYS 18 7.732 -0.278 -3.553
130 HB3 LYS 18 2HB LYS 18 6.502 -1.266 -4.357
131 HG2 LYS 18 1HG LYS 18 5.904 0.653 -5.822
132 HG3 LYS 18 2HG LYS 18 7.185 1.621 -5.085
133 HD2 LYS 18 1HD LYS 18 7.612 -0.989 -6.606
134 HD3 LYS 18 2HD LYS 18 7.820 0.636 -7.275
135 HE2 LYS 18 1HE LYS 18 9.569 1.112 -5.557
136 HE3 LYS 18 2HE LYS 18 9.403 -0.537 -4.942
137 HZ1 LYS 18 3HZ LYS 18 11.245 -0.362 -6.510
138 HZ2 LYS 18 1HZ LYS 18 10.264 0.174 -7.697
139 HZ3 LYS 18 2HZ LYS 18 10.107 -1.352 -7.131
140 H TYR 19 H TYR 19 3.935 -1.495 -3.068
141 HA TYR 19 HA TYR 19 4.606 -2.662 -0.414
142 HB2 TYR 19 1HB TYR 19 1.984 -1.443 -1.307
143 HB3 TYR 19 2HB TYR 19 1.991 -2.777 -0.166
144 HD1 TYR 19 2HD TYR 19 2.975 -2.596 2.057
145 HD2 TYR 19 1HD TYR 19 2.845 0.794 -0.609
146 HE1 TYR 19 2HE TYR 19 3.635 -1.102 3.931
147 HE2 TYR 19 1HE TYR 19 3.522 2.291 1.278
148 HH TYR 19 HH TYR 19 4.146 1.005 4.570
149 H SER 20 H SER 20 3.742 -4.771 -0.039
150 HA SER 20 HA SER 20 3.578 -6.461 -2.450
151 HB2 SER 20 1HB SER 20 3.659 -8.310 -0.759
152 HB3 SER 20 2HB SER 20 5.069 -7.239 -0.782
153 HG SER 20 HG SER 20 4.379 -7.628 1.356
154 H ASP 21 H ASP 21 1.753 -6.605 0.596
155 HA ASP 21 HA ASP 21 -0.630 -7.546 -0.813
156 HB2 ASP 21 1HB ASP 21 0.337 -8.460 1.366
157 HB3 ASP 21 2HB ASP 21 -0.330 -7.032 2.158
158 H VAL 22 H VAL 22 -2.640 -6.565 -0.962
159 HA VAL 22 HA VAL 22 -2.701 -3.692 -1.049
160 HB VAL 22 HB VAL 22 -3.989 -5.377 -2.462
161 HG11 VAL 22 1HG1 VAL 22 -6.223 -5.991 -1.808
162 HG12 VAL 22 2HG1 VAL 22 -5.089 -6.627 -0.606
163 HG13 VAL 22 3HG1 VAL 22 -6.061 -5.180 -0.243
164 HG21 VAL 22 3HG2 VAL 22 -5.431 -2.937 -1.362
165 HG22 VAL 22 1HG2 VAL 22 -4.240 -2.970 -2.682
166 HG23 VAL 22 2HG2 VAL 22 -5.799 -3.778 -2.886
167 H LYS 23 H LYS 23 -3.623 -5.971 1.476
168 HA LYS 23 HA LYS 23 -5.049 -3.996 3.100
169 HB2 LYS 23 1HB LYS 23 -3.688 -6.589 3.940
170 HB3 LYS 23 2HB LYS 23 -4.818 -5.658 4.909
171 HG2 LYS 23 1HG LYS 23 -5.437 -7.126 2.306
172 HG3 LYS 23 2HG LYS 23 -5.900 -7.620 3.924
173 HD2 LYS 23 1HD LYS 23 -6.928 -5.151 2.452
174 HD3 LYS 23 2HD LYS 23 -7.782 -6.678 2.678
175 HE2 LYS 23 1HE LYS 23 -7.650 -6.353 5.167
176 HE3 LYS 23 2HE LYS 23 -6.924 -4.764 4.894
177 HZ1 LYS 23 3HZ LYS 23 -8.963 -4.124 3.700
178 HZ2 LYS 23 1HZ LYS 23 -9.325 -4.597 5.221
179 HZ3 LYS 23 2HZ LYS 23 -9.625 -5.594 3.968
180 H ASN 24 H ASN 24 -1.643 -4.909 2.781
181 HA ASN 24 HA ASN 24 -0.743 -3.296 5.042
182 HB2 ASN 24 1HB ASN 24 0.751 -4.422 2.629
183 HB3 ASN 24 2HB ASN 24 1.507 -3.573 3.970
184 HD21 ASN 24 1HD2 ASN 24 2.444 -6.049 3.435
185 HD22 ASN 24 2HD2 ASN 24 1.901 -7.155 4.687
186 H LEU 25 H LEU 25 -1.014 -2.726 1.505
187 HA LEU 25 HA LEU 25 -0.156 -0.005 1.502
188 HB2 LEU 25 1HB LEU 25 -0.378 -1.237 -0.551
189 HB3 LEU 25 2HB LEU 25 -2.070 -1.595 -0.238
190 HG LEU 25 HG LEU 25 -2.680 0.775 -0.527
191 HD11 LEU 25 1HD1 LEU 25 -1.020 2.347 -1.492
192 HD12 LEU 25 2HD1 LEU 25 0.269 1.146 -1.258
193 HD13 LEU 25 3HD1 LEU 25 -0.554 1.872 0.140
194 HD21 LEU 25 3HD2 LEU 25 -2.702 -0.778 -2.448
195 HD22 LEU 25 1HD2 LEU 25 -1.039 -0.283 -2.849
196 HD23 LEU 25 2HD2 LEU 25 -2.361 0.893 -2.924
197 H ILE 26 H ILE 26 -3.499 -1.334 1.902
198 HA ILE 26 HA ILE 26 -4.725 1.220 2.261
199 HB ILE 26 HB ILE 26 -5.568 -1.598 2.951
200 HG12 ILE 26 1HG1 ILE 26 -6.682 0.412 0.932
201 HG13 ILE 26 2HG1 ILE 26 -5.358 -0.670 0.534
202 HG21 ILE 26 1HG2 ILE 26 -7.187 0.962 3.338
203 HG22 ILE 26 2HG2 ILE 26 -7.865 -0.682 3.370
204 HG23 ILE 26 3HG2 ILE 26 -6.710 -0.199 4.604
205 HD11 ILE 26 3HD1 ILE 26 -6.793 -2.637 1.043
206 HD12 ILE 26 1HD1 ILE 26 -8.169 -1.532 1.293
207 HD13 ILE 26 2HD1 ILE 26 -7.383 -1.629 -0.292
208 H LYS 27 H LYS 27 -3.371 -1.041 4.695
209 HA LYS 27 HA LYS 27 -4.009 0.515 7.007
210 HB2 LYS 27 1HB LYS 27 -3.274 -1.851 7.007
211 HB3 LYS 27 2HB LYS 27 -1.647 -1.352 6.521
212 HG2 LYS 27 1HG LYS 27 -1.454 -0.022 8.631
213 HG3 LYS 27 2HG LYS 27 -3.062 -0.565 9.113
214 HD2 LYS 27 1HD LYS 27 -0.623 -2.332 8.615
215 HD3 LYS 27 2HD LYS 27 -1.205 -1.841 10.200
216 HE2 LYS 27 1HE LYS 27 -2.775 -3.559 8.218
217 HE3 LYS 27 2HE LYS 27 -1.804 -4.183 9.549
218 HZ1 LYS 27 3HZ LYS 27 -3.250 -2.987 11.102
219 HZ2 LYS 27 1HZ LYS 27 -4.120 -4.027 10.198
220 HZ3 LYS 27 2HZ LYS 27 -4.181 -2.428 9.878
221 H HIS 28 H HIS 28 -1.116 0.634 4.868
222 HA HIS 28 HA HIS 28 0.202 2.789 6.198
223 HB2 HIS 28 1HB HIS 28 1.428 1.562 4.595
224 HB3 HIS 28 2HB HIS 28 0.218 1.775 3.341
225 HD1 HIS 28 1HD HIS 28 2.749 3.998 5.260
226 HD2 HIS 28 2HD HIS 28 0.463 3.814 1.738
227 HE1 HIS 28 1HE HIS 28 3.422 6.029 3.898
228 H ILE 29 H ILE 29 -2.221 2.913 3.508
229 HA ILE 29 HA ILE 29 -2.288 5.732 3.300
230 HB ILE 29 HB ILE 29 -4.397 3.644 2.686
231 HG12 ILE 29 1HG1 ILE 29 -2.700 5.357 0.808
232 HG13 ILE 29 2HG1 ILE 29 -2.176 3.782 1.382
233 HG21 ILE 29 1HG2 ILE 29 -4.470 6.638 2.066
234 HG22 ILE 29 2HG2 ILE 29 -5.576 5.431 1.376
235 HG23 ILE 29 3HG2 ILE 29 -5.609 5.746 3.098
236 HD11 ILE 29 3HD1 ILE 29 -3.141 3.515 -0.806
237 HD12 ILE 29 1HD1 ILE 29 -4.205 2.732 0.379
238 HD13 ILE 29 2HD1 ILE 29 -4.642 4.310 -0.319
239 H ARG 30 H ARG 30 -4.459 3.682 5.336
240 HA ARG 30 HA ARG 30 -5.749 6.018 6.463
241 HB2 ARG 30 1HB ARG 30 -6.959 4.528 7.864
242 HB3 ARG 30 2HB ARG 30 -6.801 3.791 6.265
243 HG2 ARG 30 1HG ARG 30 -5.032 2.322 7.093
244 HG3 ARG 30 2HG ARG 30 -5.100 3.061 8.685
245 HD2 ARG 30 1HD ARG 30 -6.306 0.954 8.703
246 HD3 ARG 30 2HD ARG 30 -7.414 2.309 8.979
247 HE ARG 30 HE ARG 30 -7.297 1.621 6.174
248 HH11 ARG 30 2HH1 ARG 30 -8.725 0.460 9.154
249 HH12 ARG 30 1HH1 ARG 30 -10.101 -0.231 8.338
250 HH21 ARG 30 2HH2 ARG 30 -9.117 0.759 5.199
251 HH22 ARG 30 1HH2 ARG 30 -10.298 -0.074 6.161
252 H ASP 31 H ASP 31 -2.734 4.613 7.308
253 HA ASP 31 HA ASP 31 -2.648 5.911 9.960
254 HB2 ASP 31 1HB ASP 31 -1.601 3.712 9.548
255 HB3 ASP 31 2HB ASP 31 -0.517 4.443 8.366
256 H ALA 32 H ALA 32 -1.105 6.354 6.756
257 HA ALA 32 HA ALA 32 0.359 8.717 7.738
258 HB1 ALA 32 1HB ALA 32 0.554 7.157 5.134
259 HB2 ALA 32 2HB ALA 32 1.697 8.381 5.724
260 HB3 ALA 32 3HB ALA 32 1.510 6.851 6.604
261 H HIS 33 H HIS 33 -2.369 8.152 5.574
262 HA HIS 33 HA HIS 33 -2.193 10.987 4.588
263 HB2 HIS 33 1HB HIS 33 -3.054 8.554 2.993
264 HB3 HIS 33 2HB HIS 33 -2.848 10.199 2.401
265 HD1 HIS 33 1HD HIS 33 -0.001 10.999 3.127
266 HD2 HIS 33 2HD HIS 33 -1.115 7.060 2.194
267 HE1 HIS 33 1HE HIS 33 2.136 9.826 2.417
268 H ASP 34 H ASP 34 -4.401 8.276 5.209
269 HA ASP 34 HA ASP 34 -6.648 8.114 5.457
270 HB2 ASP 34 1HB ASP 34 -5.679 8.620 7.620
271 HB3 ASP 34 2HB ASP 34 -5.982 10.338 7.387
272 HA PRO 35 HA PRO 35 -7.911 11.643 2.668
273 HB2 PRO 35 1HB PRO 35 -8.810 10.197 0.526
274 HB3 PRO 35 2HB PRO 35 -7.079 10.568 0.797
275 HG2 PRO 35 1HG PRO 35 -8.578 8.037 1.582
276 HG3 PRO 35 2HG PRO 35 -7.049 8.161 0.656
277 HD2 PRO 35 1HD PRO 35 -7.033 7.711 3.318
278 HD3 PRO 35 2HD PRO 35 -5.827 8.808 2.579
279 H GLN 36 H GLN 36 -9.999 12.363 2.078
280 HA GLN 36 HA GLN 36 -12.189 11.289 3.684
281 HB2 GLN 36 1HB GLN 36 -13.364 13.297 3.096
282 HB3 GLN 36 2HB GLN 36 -11.715 13.688 3.582
283 HG2 GLN 36 1HG GLN 36 -11.072 13.931 1.176
284 HG3 GLN 36 2HG GLN 36 -12.725 13.540 0.699
285 HE21 GLN 36 1HE2 GLN 36 -12.050 15.808 -0.374
286 HE22 GLN 36 2HE2 GLN 36 -12.622 17.194 0.546
287 H ASP 37 H ASP 37 -11.130 10.385 0.701
288 HA ASP 37 HA ASP 37 -13.570 10.149 -0.839
289 HB2 ASP 37 1HB ASP 37 -11.393 10.392 -1.887
290 HB3 ASP 37 2HB ASP 37 -10.801 8.933 -1.104
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 5.566 -15.020 -15.510
2 H2 GLY 1 2H GLY 1 7.130 -15.283 -15.926
3 H3 GLY 1 3H GLY 1 6.384 -13.891 -16.367
4 HA2 GLY 1 1HA GLY 1 6.993 -14.704 -13.598
5 HA3 GLY 1 2HA GLY 1 7.883 -13.485 -14.527
6 H SER 2 H SER 2 7.083 -12.529 -12.273
7 HA SER 2 HA SER 2 4.964 -10.590 -12.926
8 HB2 SER 2 1HB SER 2 3.759 -12.459 -11.802
9 HB3 SER 2 2HB SER 2 4.823 -12.276 -10.394
10 HG SER 2 HG SER 2 2.828 -11.094 -10.186
11 H SER 3 H SER 3 4.868 -8.839 -11.261
12 HA SER 3 HA SER 3 7.540 -7.907 -10.521
13 HB2 SER 3 1HB SER 3 6.316 -5.893 -9.763
14 HB3 SER 3 2HB SER 3 5.959 -6.344 -11.435
15 HG SER 3 HG SER 3 4.034 -5.891 -10.478
16 H GLY 4 H GLY 4 5.009 -9.643 -8.907
17 HA2 GLY 4 1HA GLY 4 6.479 -9.463 -6.297
18 HA3 GLY 4 2HA GLY 4 4.719 -9.436 -6.373
19 H SER 5 H SER 5 5.812 -11.314 -4.805
20 HA SER 5 HA SER 5 6.316 -13.858 -6.097
21 HB2 SER 5 1HB SER 5 6.110 -14.747 -3.783
22 HB3 SER 5 2HB SER 5 7.248 -13.396 -3.927
23 HG SER 5 HG SER 5 5.836 -13.177 -2.111
24 H SER 6 H SER 6 3.413 -12.222 -5.040
25 HA SER 6 HA SER 6 1.765 -14.136 -6.521
26 HB2 SER 6 1HB SER 6 1.740 -15.008 -4.168
27 HB3 SER 6 2HB SER 6 1.078 -13.450 -3.632
28 HG SER 6 HG SER 6 -0.551 -15.051 -4.050
29 H GLY 7 H GLY 7 -0.145 -13.161 -7.310
30 HA2 GLY 7 1HA GLY 7 -1.400 -11.412 -8.170
31 HA3 GLY 7 2HA GLY 7 -1.116 -10.560 -6.654
32 H ILE 8 H ILE 8 -0.821 -8.565 -7.554
33 HA ILE 8 HA ILE 8 1.685 -8.033 -9.097
34 HB ILE 8 HB ILE 8 -1.013 -6.659 -9.402
35 HG12 ILE 8 1HG1 ILE 8 -0.994 -8.824 -10.576
36 HG13 ILE 8 2HG1 ILE 8 -1.119 -7.461 -11.663
37 HG21 ILE 8 1HG2 ILE 8 0.083 -5.395 -11.274
38 HG22 ILE 8 2HG2 ILE 8 0.683 -4.974 -9.675
39 HG23 ILE 8 3HG2 ILE 8 1.651 -6.026 -10.730
40 HD11 ILE 8 3HD1 ILE 8 0.368 -9.242 -12.529
41 HD12 ILE 8 1HD1 ILE 8 1.226 -7.704 -12.346
42 HD13 ILE 8 2HD1 ILE 8 1.461 -9.003 -11.156
43 H LYS 9 H LYS 9 2.886 -6.281 -8.363
44 HA LYS 9 HA LYS 9 2.719 -5.487 -5.638
45 HB2 LYS 9 1HB LYS 9 4.103 -4.152 -7.997
46 HB3 LYS 9 2HB LYS 9 4.354 -3.672 -6.327
47 HG2 LYS 9 1HG LYS 9 4.912 -6.468 -7.396
48 HG3 LYS 9 2HG LYS 9 6.114 -5.191 -7.309
49 HD2 LYS 9 1HD LYS 9 4.690 -6.429 -4.911
50 HD3 LYS 9 2HD LYS 9 6.317 -6.807 -5.481
51 HE2 LYS 9 1HE LYS 9 6.856 -4.306 -5.198
52 HE3 LYS 9 2HE LYS 9 5.329 -4.180 -4.310
53 HZ1 LYS 9 3HZ LYS 9 7.181 -4.590 -2.791
54 HZ2 LYS 9 1HZ LYS 9 7.622 -5.936 -3.594
55 HZ3 LYS 9 2HZ LYS 9 6.217 -5.916 -2.772
56 H GLN 10 H GLN 10 2.178 -3.652 -4.591
57 HA GLN 10 HA GLN 10 -0.024 -2.023 -5.806
58 HB2 GLN 10 1HB GLN 10 0.422 -2.982 -2.945
59 HB3 GLN 10 2HB GLN 10 -0.914 -1.976 -3.487
60 HG2 GLN 10 1HG GLN 10 -0.357 -4.840 -4.373
61 HG3 GLN 10 2HG GLN 10 -1.594 -4.325 -3.250
62 HE21 GLN 10 1HE2 GLN 10 -1.286 -5.362 -6.342
63 HE22 GLN 10 2HE2 GLN 10 -2.650 -4.494 -7.050
64 H HIS 11 H HIS 11 0.007 0.229 -5.515
65 HA HIS 11 HA HIS 11 2.532 1.323 -4.332
66 HB2 HIS 11 1HB HIS 11 1.215 2.272 -6.881
67 HB3 HIS 11 2HB HIS 11 2.776 2.758 -6.227
68 HD1 HIS 11 1HD HIS 11 1.889 1.075 -9.095
69 HD2 HIS 11 2HD HIS 11 4.087 -0.148 -5.730
70 HE1 HIS 11 1HE HIS 11 3.329 -0.888 -9.853
71 H CYS 12 H CYS 12 2.480 3.213 -3.211
72 HA CYS 12 HA CYS 12 -0.024 4.220 -2.251
73 HB2 CYS 12 1HB CYS 12 2.001 4.170 -0.925
74 HB3 CYS 12 2HB CYS 12 2.765 5.352 -2.014
75 H ARG 13 H ARG 13 -1.263 5.757 -2.808
76 HA ARG 13 HA ARG 13 -1.122 7.171 -5.347
77 HB2 ARG 13 1HB ARG 13 -3.238 6.398 -4.467
78 HB3 ARG 13 2HB ARG 13 -2.961 7.179 -2.919
79 HG2 ARG 13 1HG ARG 13 -4.644 8.373 -4.127
80 HG3 ARG 13 2HG ARG 13 -3.243 9.400 -3.926
81 HD2 ARG 13 1HD ARG 13 -2.544 8.759 -6.314
82 HD3 ARG 13 2HD ARG 13 -4.075 7.902 -6.449
83 HE ARG 13 HE ARG 13 -5.201 9.920 -6.664
84 HH11 ARG 13 2HH1 ARG 13 -1.940 10.703 -5.569
85 HH12 ARG 13 1HH1 ARG 13 -2.165 12.402 -5.900
86 HH21 ARG 13 2HH2 ARG 13 -5.396 12.095 -7.022
87 HH22 ARG 13 1HH2 ARG 13 -4.067 13.163 -6.680
88 H PHE 14 H PHE 14 -0.128 7.936 -2.111
89 HA PHE 14 HA PHE 14 -0.011 10.860 -2.725
90 HB2 PHE 14 1HB PHE 14 -0.061 9.426 -0.078
91 HB3 PHE 14 2HB PHE 14 -0.220 11.155 -0.329
92 HD1 PHE 14 2HD PHE 14 -2.306 12.036 -1.539
93 HD2 PHE 14 1HD PHE 14 -1.940 7.950 -0.203
94 HE1 PHE 14 2HE PHE 14 -4.771 11.755 -1.703
95 HE2 PHE 14 1HE PHE 14 -4.404 7.678 -0.357
96 HZ PHE 14 HZ PHE 14 -5.821 9.578 -1.109
97 H CYS 15 H CYS 15 2.097 8.223 -1.590
98 HA CYS 15 HA CYS 15 4.385 10.108 -1.812
99 HB2 CYS 15 1HB CYS 15 5.453 9.332 0.108
100 HB3 CYS 15 2HB CYS 15 3.849 9.918 0.532
101 H LYS 16 H LYS 16 3.163 7.597 -3.273
102 HA LYS 16 HA LYS 16 3.854 6.039 -4.757
103 HB2 LYS 16 1HB LYS 16 6.275 7.849 -4.966
104 HB3 LYS 16 2HB LYS 16 5.764 6.649 -6.156
105 HG2 LYS 16 1HG LYS 16 3.609 7.853 -6.467
106 HG3 LYS 16 2HG LYS 16 4.120 9.068 -5.292
107 HD2 LYS 16 1HD LYS 16 4.466 9.961 -7.480
108 HD3 LYS 16 2HD LYS 16 6.049 9.667 -6.745
109 HE2 LYS 16 1HE LYS 16 6.263 7.559 -8.045
110 HE3 LYS 16 2HE LYS 16 4.654 7.813 -8.735
111 HZ1 LYS 16 3HZ LYS 16 6.399 8.574 -10.244
112 HZ2 LYS 16 1HZ LYS 16 6.983 9.619 -9.136
113 HZ3 LYS 16 2HZ LYS 16 5.497 9.850 -9.778
114 H LYS 17 H LYS 17 4.848 5.553 -1.912
115 HA LYS 17 HA LYS 17 7.026 3.672 -2.085
116 HB2 LYS 17 1HB LYS 17 4.696 4.038 -0.156
117 HB3 LYS 17 2HB LYS 17 5.934 2.795 0.065
118 HG2 LYS 17 1HG LYS 17 7.688 4.529 0.131
119 HG3 LYS 17 2HG LYS 17 6.461 5.775 -0.174
120 HD2 LYS 17 1HD LYS 17 5.326 5.102 1.979
121 HD3 LYS 17 2HD LYS 17 6.650 3.978 2.282
122 HE2 LYS 17 1HE LYS 17 6.945 6.064 3.533
123 HE3 LYS 17 2HE LYS 17 8.264 5.822 2.385
124 HZ1 LYS 17 3HZ LYS 17 7.273 8.132 2.442
125 HZ2 LYS 17 1HZ LYS 17 5.908 7.520 1.746
126 HZ3 LYS 17 2HZ LYS 17 7.322 7.461 0.951
127 H LYS 18 H LYS 18 6.895 1.391 -1.901
128 HA LYS 18 HA LYS 18 4.649 0.187 -3.480
129 HB2 LYS 18 1HB LYS 18 7.575 -0.617 -3.645
130 HB3 LYS 18 2HB LYS 18 6.224 -1.255 -4.590
131 HG2 LYS 18 1HG LYS 18 5.872 1.162 -5.443
132 HG3 LYS 18 2HG LYS 18 7.436 1.538 -4.714
133 HD2 LYS 18 1HD LYS 18 8.530 -0.179 -6.113
134 HD3 LYS 18 2HD LYS 18 6.957 -0.621 -6.819
135 HE2 LYS 18 1HE LYS 18 6.694 1.697 -7.680
136 HE3 LYS 18 2HE LYS 18 8.270 2.129 -7.000
137 HZ1 LYS 18 3HZ LYS 18 8.447 1.561 -9.356
138 HZ2 LYS 18 1HZ LYS 18 7.824 0.074 -9.104
139 HZ3 LYS 18 2HZ LYS 18 9.282 0.469 -8.478
140 H TYR 19 H TYR 19 3.774 -1.639 -2.935
141 HA TYR 19 HA TYR 19 4.590 -3.054 -0.437
142 HB2 TYR 19 1HB TYR 19 1.842 -2.034 -1.266
143 HB3 TYR 19 2HB TYR 19 2.161 -3.020 0.151
144 HD1 TYR 19 1HD TYR 19 2.483 0.344 -1.334
145 HD2 TYR 19 2HD TYR 19 3.388 -2.114 2.098
146 HE1 TYR 19 1HE TYR 19 3.200 2.370 -0.059
147 HE2 TYR 19 2HE TYR 19 4.076 -0.086 3.368
148 HH TYR 19 HH TYR 19 4.425 2.166 3.295
149 H SER 20 H SER 20 3.943 -5.225 -0.250
150 HA SER 20 HA SER 20 3.477 -6.630 -2.820
151 HB2 SER 20 1HB SER 20 4.270 -7.702 -0.099
152 HB3 SER 20 2HB SER 20 4.196 -8.626 -1.613
153 HG SER 20 HG SER 20 6.317 -7.842 -1.095
154 H ASP 21 H ASP 21 1.460 -5.500 -0.409
155 HA ASP 21 HA ASP 21 -0.706 -7.320 -1.231
156 HB2 ASP 21 1HB ASP 21 0.430 -8.232 0.892
157 HB3 ASP 21 2HB ASP 21 -0.187 -6.804 1.722
158 H VAL 22 H VAL 22 -2.697 -6.304 -1.268
159 HA VAL 22 HA VAL 22 -2.708 -3.425 -1.297
160 HB VAL 22 HB VAL 22 -4.072 -5.007 -2.717
161 HG11 VAL 22 1HG1 VAL 22 -6.024 -5.004 -0.383
162 HG12 VAL 22 2HG1 VAL 22 -6.260 -5.709 -1.991
163 HG13 VAL 22 3HG1 VAL 22 -5.050 -6.402 -0.901
164 HG21 VAL 22 3HG2 VAL 22 -5.922 -3.430 -2.963
165 HG22 VAL 22 1HG2 VAL 22 -5.537 -2.695 -1.392
166 HG23 VAL 22 2HG2 VAL 22 -4.386 -2.582 -2.744
167 H LYS 23 H LYS 23 -3.536 -5.773 1.172
168 HA LYS 23 HA LYS 23 -4.952 -3.930 2.941
169 HB2 LYS 23 1HB LYS 23 -3.490 -6.531 3.541
170 HB3 LYS 23 2HB LYS 23 -4.534 -5.658 4.668
171 HG2 LYS 23 1HG LYS 23 -6.454 -5.899 3.125
172 HG3 LYS 23 2HG LYS 23 -5.458 -6.797 1.985
173 HD2 LYS 23 1HD LYS 23 -6.174 -7.640 4.821
174 HD3 LYS 23 2HD LYS 23 -6.865 -8.291 3.339
175 HE2 LYS 23 1HE LYS 23 -3.974 -8.579 4.272
176 HE3 LYS 23 2HE LYS 23 -5.218 -9.829 4.298
177 HZ1 LYS 23 3HZ LYS 23 -3.811 -10.103 2.367
178 HZ2 LYS 23 1HZ LYS 23 -4.033 -8.586 1.869
179 HZ3 LYS 23 2HZ LYS 23 -5.292 -9.654 1.831
180 H ASN 24 H ASN 24 -1.530 -4.823 2.555
181 HA ASN 24 HA ASN 24 -0.597 -3.260 4.820
182 HB2 ASN 24 1HB ASN 24 0.845 -4.316 2.345
183 HB3 ASN 24 2HB ASN 24 1.635 -3.502 3.690
184 HD21 ASN 24 1HD2 ASN 24 2.686 -5.852 3.249
185 HD22 ASN 24 2HD2 ASN 24 2.103 -7.045 4.398
186 H LEU 25 H LEU 25 -0.936 -2.565 1.313
187 HA LEU 25 HA LEU 25 -0.078 0.156 1.393
188 HB2 LEU 25 1HB LEU 25 -0.345 -0.960 -0.712
189 HB3 LEU 25 2HB LEU 25 -2.024 -1.369 -0.372
190 HG LEU 25 HG LEU 25 -2.698 0.985 -0.517
191 HD11 LEU 25 1HD1 LEU 25 -0.567 2.092 0.189
192 HD12 LEU 25 2HD1 LEU 25 -1.112 2.665 -1.383
193 HD13 LEU 25 3HD1 LEU 25 0.225 1.497 -1.281
194 HD21 LEU 25 3HD2 LEU 25 -1.034 0.196 -2.923
195 HD22 LEU 25 1HD2 LEU 25 -2.421 1.294 -2.892
196 HD23 LEU 25 2HD2 LEU 25 -2.665 -0.430 -2.560
197 H ILE 26 H ILE 26 -3.417 -1.203 1.870
198 HA ILE 26 HA ILE 26 -4.597 1.349 2.331
199 HB ILE 26 HB ILE 26 -5.475 -1.453 3.047
200 HG12 ILE 26 1HG1 ILE 26 -6.655 0.582 1.092
201 HG13 ILE 26 2HG1 ILE 26 -5.344 -0.484 0.616
202 HG21 ILE 26 1HG2 ILE 26 -6.496 0.023 4.753
203 HG22 ILE 26 2HG2 ILE 26 -6.976 1.177 3.496
204 HG23 ILE 26 3HG2 ILE 26 -7.722 -0.434 3.573
205 HD11 ILE 26 3HD1 ILE 26 -7.416 -1.435 -0.116
206 HD12 ILE 26 1HD1 ILE 26 -6.725 -2.469 1.148
207 HD13 ILE 26 2HD1 ILE 26 -8.097 -1.393 1.522
208 H LYS 27 H LYS 27 -3.299 -1.017 4.758
209 HA LYS 27 HA LYS 27 -3.886 0.635 7.028
210 HB2 LYS 27 1HB LYS 27 -1.763 -1.495 6.529
211 HB3 LYS 27 2HB LYS 27 -1.946 -0.705 8.085
212 HG2 LYS 27 1HG LYS 27 -4.103 -2.339 6.679
213 HG3 LYS 27 2HG LYS 27 -3.081 -2.902 7.988
214 HD2 LYS 27 1HD LYS 27 -5.218 -0.736 8.121
215 HD3 LYS 27 2HD LYS 27 -5.308 -2.342 8.810
216 HE2 LYS 27 1HE LYS 27 -3.339 -0.175 9.687
217 HE3 LYS 27 2HE LYS 27 -4.870 -0.539 10.480
218 HZ1 LYS 27 3HZ LYS 27 -2.606 -2.450 10.237
219 HZ2 LYS 27 1HZ LYS 27 -4.042 -2.781 10.947
220 HZ3 LYS 27 2HZ LYS 27 -3.049 -1.664 11.595
221 H HIS 28 H HIS 28 -1.138 0.791 4.769
222 HA HIS 28 HA HIS 28 0.280 2.854 6.214
223 HB2 HIS 28 1HB HIS 28 1.500 1.674 4.576
224 HB3 HIS 28 2HB HIS 28 0.282 1.914 3.336
225 HD1 HIS 28 1HD HIS 28 2.672 4.211 5.373
226 HD2 HIS 28 2HD HIS 28 0.676 3.858 1.690
227 HE1 HIS 28 1HE HIS 28 3.405 6.209 3.999
228 H ILE 29 H ILE 29 -2.135 3.091 3.515
229 HA ILE 29 HA ILE 29 -2.245 5.945 3.456
230 HB ILE 29 HB ILE 29 -4.316 3.841 2.733
231 HG12 ILE 29 1HG1 ILE 29 -2.612 5.586 0.897
232 HG13 ILE 29 2HG1 ILE 29 -2.097 3.992 1.429
233 HG21 ILE 29 1HG2 ILE 29 -5.505 5.630 1.463
234 HG22 ILE 29 2HG2 ILE 29 -5.531 5.942 3.182
235 HG23 ILE 29 3HG2 ILE 29 -4.401 6.838 2.145
236 HD11 ILE 29 3HD1 ILE 29 -3.087 3.782 -0.756
237 HD12 ILE 29 1HD1 ILE 29 -4.150 2.986 0.422
238 HD13 ILE 29 2HD1 ILE 29 -4.570 4.584 -0.243
239 H ARG 30 H ARG 30 -4.219 3.630 5.382
240 HA ARG 30 HA ARG 30 -6.023 5.334 6.619
241 HB2 ARG 30 1HB ARG 30 -6.099 2.924 6.184
242 HB3 ARG 30 2HB ARG 30 -4.636 2.693 7.144
243 HG2 ARG 30 1HG ARG 30 -6.256 1.828 8.344
244 HG3 ARG 30 2HG ARG 30 -5.885 3.348 9.135
245 HD2 ARG 30 1HD ARG 30 -8.202 2.981 7.187
246 HD3 ARG 30 2HD ARG 30 -8.394 2.619 8.892
247 HE ARG 30 HE ARG 30 -8.208 5.296 7.644
248 HH11 ARG 30 2HH1 ARG 30 -8.060 3.604 10.721
249 HH12 ARG 30 1HH1 ARG 30 -8.574 5.007 11.613
250 HH21 ARG 30 2HH2 ARG 30 -8.900 7.038 8.853
251 HH22 ARG 30 1HH2 ARG 30 -9.017 6.886 10.587
252 H ASP 31 H ASP 31 -2.663 4.697 7.388
253 HA ASP 31 HA ASP 31 -2.821 6.134 9.985
254 HB2 ASP 31 1HB ASP 31 -1.599 3.988 9.786
255 HB3 ASP 31 2HB ASP 31 -0.509 4.718 8.613
256 H ALA 32 H ALA 32 -1.136 6.450 6.826
257 HA ALA 32 HA ALA 32 0.161 8.928 7.724
258 HB1 ALA 32 1HB ALA 32 1.581 8.562 5.773
259 HB2 ALA 32 2HB ALA 32 1.423 7.068 6.719
260 HB3 ALA 32 3HB ALA 32 0.511 7.266 5.204
261 H HIS 33 H HIS 33 -2.422 8.178 5.415
262 HA HIS 33 HA HIS 33 -2.373 11.014 4.425
263 HB2 HIS 33 1HB HIS 33 -2.876 8.579 2.702
264 HB3 HIS 33 2HB HIS 33 -2.634 10.237 2.177
265 HD1 HIS 33 1HD HIS 33 0.102 11.110 2.933
266 HD2 HIS 33 2HD HIS 33 -0.885 7.097 2.200
267 HE1 HIS 33 1HE HIS 33 2.274 9.976 2.228
268 H ASP 34 H ASP 34 -4.260 8.866 6.020
269 HA ASP 34 HA ASP 34 -6.543 8.443 4.754
270 HB2 ASP 34 1HB ASP 34 -5.771 7.598 6.951
271 HB3 ASP 34 2HB ASP 34 -6.350 9.076 7.711
272 HA PRO 35 HA PRO 35 -8.631 12.401 4.406
273 HB2 PRO 35 1HB PRO 35 -10.871 11.641 3.065
274 HB3 PRO 35 2HB PRO 35 -9.241 11.554 2.331
275 HG2 PRO 35 1HG PRO 35 -10.785 9.315 3.692
276 HG3 PRO 35 2HG PRO 35 -10.003 9.293 2.076
277 HD2 PRO 35 1HD PRO 35 -8.750 8.321 4.303
278 HD3 PRO 35 2HD PRO 35 -7.837 9.171 3.026
279 H GLN 36 H GLN 36 -9.665 9.962 6.567
280 HA GLN 36 HA GLN 36 -11.237 9.727 8.132
281 HB2 GLN 36 1HB GLN 36 -11.106 12.753 8.319
282 HB3 GLN 36 2HB GLN 36 -11.741 11.654 9.547
283 HG2 GLN 36 1HG GLN 36 -9.510 10.576 9.750
284 HG3 GLN 36 2HG GLN 36 -8.851 11.715 8.569
285 HE21 GLN 36 1HE2 GLN 36 -8.911 14.086 9.158
286 HE22 GLN 36 2HE2 GLN 36 -8.840 14.492 10.868
287 H ASP 37 H ASP 37 -12.281 9.563 5.594
288 HA ASP 37 HA ASP 37 -15.136 10.331 5.944
289 HB2 ASP 37 1HB ASP 37 -14.088 12.042 4.523
290 HB3 ASP 37 2HB ASP 37 -13.460 10.797 3.449