Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505736 | 2ytq RC | 10222 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -28.436 5.317 -5.242
2 HA2 GLY 1 1HA GLY 1 -27.290 3.443 -6.905
3 HA3 GLY 1 2HA GLY 1 -26.372 4.917 -7.175
4 H SER 2 H SER 2 -24.559 3.665 -6.350
5 HA SER 2 HA SER 2 -24.587 3.399 -3.417
6 HB2 SER 2 1HB SER 2 -24.042 1.402 -5.043
7 HB3 SER 2 2HB SER 2 -22.455 2.167 -5.124
8 HG SER 2 HG SER 2 -23.095 0.507 -3.353
9 H SER 3 H SER 3 -23.091 4.440 -2.190
10 HA SER 3 HA SER 3 -20.881 5.841 -3.463
11 HB2 SER 3 1HB SER 3 -22.988 7.336 -3.423
12 HB3 SER 3 2HB SER 3 -22.725 7.421 -1.681
13 HG SER 3 HG SER 3 -21.591 9.101 -2.452
14 H GLY 4 H GLY 4 -19.223 5.104 -2.305
15 HA2 GLY 4 1HA GLY 4 -18.014 5.562 -0.195
16 HA3 GLY 4 2HA GLY 4 -19.494 5.109 0.639
17 H SER 5 H SER 5 -19.182 3.250 1.658
18 HA SER 5 HA SER 5 -17.243 1.397 1.381
19 HB2 SER 5 1HB SER 5 -20.083 1.197 2.271
20 HB3 SER 5 2HB SER 5 -19.177 -0.301 2.059
21 HG SER 5 HG SER 5 -18.980 0.523 4.183
22 H SER 6 H SER 6 -16.835 -0.453 0.205
23 HA SER 6 HA SER 6 -17.757 -0.474 -2.480
24 HB2 SER 6 1HB SER 6 -16.381 -2.502 -2.718
25 HB3 SER 6 2HB SER 6 -15.500 -1.231 -1.871
26 HG SER 6 HG SER 6 -15.171 -2.876 -0.550
27 H GLY 7 H GLY 7 -18.305 -2.660 0.274
28 HA2 GLY 7 1HA GLY 7 -20.786 -3.296 0.362
29 HA3 GLY 7 2HA GLY 7 -20.489 -3.917 -1.256
30 H ALA 8 H ALA 8 -18.468 -5.426 -1.315
31 HA ALA 8 HA ALA 8 -18.998 -7.519 0.628
32 HB1 ALA 8 3HB ALA 8 -16.909 -8.132 -1.272
33 HB2 ALA 8 1HB ALA 8 -18.468 -8.916 -1.018
34 HB3 ALA 8 2HB ALA 8 -18.350 -7.508 -2.074
35 H GLY 9 H GLY 9 -17.744 -5.271 1.747
36 HA2 GLY 9 1HA GLY 9 -16.082 -4.898 3.301
37 HA3 GLY 9 2HA GLY 9 -15.493 -6.525 2.989
38 H GLU 10 H GLU 10 -14.621 -3.391 2.894
39 HA GLU 10 HA GLU 10 -13.321 -3.106 0.413
40 HB2 GLU 10 1HB GLU 10 -13.826 -1.354 2.277
41 HB3 GLU 10 2HB GLU 10 -12.268 -1.849 2.924
42 HG2 GLU 10 1HG GLU 10 -11.102 -1.031 1.094
43 HG3 GLU 10 2HG GLU 10 -12.535 -1.015 0.066
44 H LYS 11 H LYS 11 -10.955 -3.006 0.090
45 HA LYS 11 HA LYS 11 -9.742 -5.456 1.005
46 HB2 LYS 11 1HB LYS 11 -8.743 -3.274 -0.832
47 HB3 LYS 11 2HB LYS 11 -7.859 -4.754 -0.488
48 HG2 LYS 11 1HG LYS 11 -10.039 -5.922 -1.298
49 HG3 LYS 11 2HG LYS 11 -10.360 -4.365 -2.066
50 HD2 LYS 11 1HD LYS 11 -7.963 -4.584 -2.997
51 HD3 LYS 11 2HD LYS 11 -8.111 -6.288 -2.560
52 HE2 LYS 11 1HE LYS 11 -10.373 -6.110 -3.867
53 HE3 LYS 11 2HE LYS 11 -9.601 -4.712 -4.613
54 HZ1 LYS 11 3HZ LYS 11 -8.768 -7.543 -4.719
55 HZ2 LYS 11 1HZ LYS 11 -7.674 -6.297 -5.052
56 HZ3 LYS 11 2HZ LYS 11 -9.062 -6.479 -6.000
57 HA PRO 12 HA PRO 12 -7.439 -3.794 4.369
58 HB2 PRO 12 1HB PRO 12 -5.431 -5.617 4.463
59 HB3 PRO 12 2HB PRO 12 -7.076 -5.972 5.002
60 HG2 PRO 12 1HG PRO 12 -5.747 -6.643 2.405
61 HG3 PRO 12 2HG PRO 12 -6.797 -7.651 3.417
62 HD2 PRO 12 1HD PRO 12 -7.694 -6.381 1.200
63 HD3 PRO 12 2HD PRO 12 -8.723 -6.668 2.619
64 H TYR 13 H TYR 13 -6.076 -4.211 1.216
65 HA TYR 13 HA TYR 13 -3.787 -2.508 1.939
66 HB2 TYR 13 1HB TYR 13 -4.009 -4.010 -0.652
67 HB3 TYR 13 2HB TYR 13 -2.563 -3.451 0.182
68 HD1 TYR 13 HD2 TYR 13 -2.236 -4.541 2.597
69 HD2 TYR 13 HD1 TYR 13 -4.486 -6.264 -0.577
70 HE1 TYR 13 HE2 TYR 13 -1.961 -6.763 3.616
71 HE2 TYR 13 HE1 TYR 13 -4.218 -8.490 0.434
72 HH TYR 13 HH TYR 13 -2.570 -9.614 2.001
73 H GLY 14 H GLY 14 -5.214 -0.639 1.891
74 HA2 GLY 14 1HA GLY 14 -5.665 0.288 -0.877
75 HA3 GLY 14 2HA GLY 14 -6.840 0.584 0.395
76 H CYS 15 H CYS 15 -4.217 1.832 -1.262
77 HA CYS 15 HA CYS 15 -2.910 3.362 0.693
78 HB2 CYS 15 1HB CYS 15 -1.924 3.071 -1.490
79 HB3 CYS 15 2HB CYS 15 -3.296 3.859 -2.264
80 H SER 16 H SER 16 -3.272 5.351 1.555
81 HA SER 16 HA SER 16 -5.912 6.530 1.023
82 HB2 SER 16 1HB SER 16 -4.120 6.523 3.439
83 HB3 SER 16 2HB SER 16 -5.388 7.735 3.260
84 HG SER 16 HG SER 16 -5.582 5.013 3.754
85 H GLU 17 H GLU 17 -2.487 7.179 1.052
86 HA GLU 17 HA GLU 17 -2.320 9.902 1.080
87 HB2 GLU 17 1HB GLU 17 -0.819 7.889 -0.584
88 HB3 GLU 17 2HB GLU 17 -0.419 9.601 -0.609
89 HG2 GLU 17 1HG GLU 17 -0.348 7.778 1.784
90 HG3 GLU 17 2HG GLU 17 1.038 8.427 0.909
91 H CYS 18 H CYS 18 -2.986 7.897 -1.785
92 HA CYS 18 HA CYS 18 -4.060 10.304 -3.104
93 HB2 CYS 18 1HB CYS 18 -3.477 9.261 -5.250
94 HB3 CYS 18 2HB CYS 18 -2.055 9.460 -4.231
95 H GLY 19 H GLY 19 -4.464 6.831 -2.595
96 HA2 GLY 19 1HA GLY 19 -6.730 6.052 -2.102
97 HA3 GLY 19 2HA GLY 19 -7.303 7.157 -3.342
98 H LYS 20 H LYS 20 -4.842 4.582 -3.134
99 HA LYS 20 HA LYS 20 -6.051 3.381 -5.536
100 HB2 LYS 20 1HB LYS 20 -3.714 4.616 -5.697
101 HB3 LYS 20 2HB LYS 20 -3.122 3.098 -5.035
102 HG2 LYS 20 1HG LYS 20 -4.068 1.878 -6.899
103 HG3 LYS 20 2HG LYS 20 -4.761 3.367 -7.547
104 HD2 LYS 20 1HD LYS 20 -2.505 4.290 -7.819
105 HD3 LYS 20 2HD LYS 20 -1.819 2.792 -7.183
106 HE2 LYS 20 1HE LYS 20 -1.652 2.502 -9.478
107 HE3 LYS 20 2HE LYS 20 -3.147 1.654 -9.086
108 HZ1 LYS 20 3HZ LYS 20 -4.426 3.469 -9.877
109 HZ2 LYS 20 1HZ LYS 20 -3.268 3.137 -11.066
110 HZ3 LYS 20 2HZ LYS 20 -3.065 4.462 -10.035
111 H ALA 21 H ALA 21 -6.619 1.317 -5.318
112 HA ALA 21 HA ALA 21 -5.784 -0.111 -2.905
113 HB1 ALA 21 3HB ALA 21 -8.111 -0.149 -3.108
114 HB2 ALA 21 1HB ALA 21 -8.047 -0.476 -4.841
115 HB3 ALA 21 2HB ALA 21 -7.604 -1.736 -3.688
116 H PHE 22 H PHE 22 -5.249 -2.410 -3.061
117 HA PHE 22 HA PHE 22 -4.275 -3.349 -5.634
118 HB2 PHE 22 1HB PHE 22 -2.387 -3.260 -3.281
119 HB3 PHE 22 2HB PHE 22 -2.016 -3.686 -4.949
120 HD1 PHE 22 HD2 PHE 22 -2.221 -1.864 -6.713
121 HD2 PHE 22 HD1 PHE 22 -2.160 -1.070 -2.532
122 HE1 PHE 22 HE2 PHE 22 -1.592 0.470 -7.169
123 HE2 PHE 22 HE1 PHE 22 -1.532 1.266 -2.981
124 HZ PHE 22 HZ PHE 22 -1.246 2.038 -5.302
125 H SER 23 H SER 23 -4.254 -5.546 -5.811
126 HA SER 23 HA SER 23 -5.508 -7.016 -3.642
127 HB2 SER 23 1HB SER 23 -5.770 -8.815 -5.274
128 HB3 SER 23 2HB SER 23 -6.319 -7.289 -5.966
129 HG SER 23 HG SER 23 -3.948 -7.258 -6.721
130 H SER 24 H SER 24 -2.773 -6.123 -3.295
131 HA SER 24 HA SER 24 -1.647 -8.550 -2.319
132 HB2 SER 24 1HB SER 24 0.539 -8.046 -3.763
133 HB3 SER 24 2HB SER 24 -0.736 -9.113 -4.352
134 HG SER 24 HG SER 24 -1.595 -7.322 -5.490
135 H LYS 25 H LYS 25 -0.985 -7.848 -0.406
136 HA LYS 25 HA LYS 25 -0.515 -5.314 0.452
137 HB2 LYS 25 1HB LYS 25 -0.511 -7.525 1.774
138 HB3 LYS 25 2HB LYS 25 1.211 -7.582 1.420
139 HG2 LYS 25 1HG LYS 25 0.039 -5.130 2.651
140 HG3 LYS 25 2HG LYS 25 0.364 -6.549 3.650
141 HD2 LYS 25 1HD LYS 25 2.709 -6.495 2.585
142 HD3 LYS 25 2HD LYS 25 2.293 -4.849 2.102
143 HE2 LYS 25 1HE LYS 25 2.274 -4.076 4.262
144 HE3 LYS 25 2HE LYS 25 1.866 -5.652 4.937
145 HZ1 LYS 25 3HZ LYS 25 4.417 -5.667 3.658
146 HZ2 LYS 25 1HZ LYS 25 4.002 -6.123 5.233
147 HZ3 LYS 25 2HZ LYS 25 4.347 -4.505 4.884
148 H SER 26 H SER 26 2.129 -7.539 -0.450
149 HA SER 26 HA SER 26 4.271 -5.898 -0.333
150 HB2 SER 26 1HB SER 26 3.712 -7.827 -2.599
151 HB3 SER 26 2HB SER 26 5.299 -7.216 -2.133
152 HG SER 26 HG SER 26 4.145 -9.352 -1.222
153 H TYR 27 H TYR 27 1.972 -6.056 -3.029
154 HA TYR 27 HA TYR 27 3.214 -4.267 -4.756
155 HB2 TYR 27 1HB TYR 27 1.039 -5.745 -4.997
156 HB3 TYR 27 2HB TYR 27 0.234 -4.252 -4.525
157 HD1 TYR 27 HD1 TYR 27 2.938 -5.321 -6.884
158 HD2 TYR 27 HD2 TYR 27 -0.515 -2.920 -6.244
159 HE1 TYR 27 HE1 TYR 27 3.069 -4.525 -9.207
160 HE2 TYR 27 HE2 TYR 27 -0.394 -2.117 -8.566
161 HH TYR 27 HH TYR 27 0.779 -3.302 -10.864
162 H LEU 28 H LEU 28 0.735 -3.601 -2.287
163 HA LEU 28 HA LEU 28 0.442 -0.890 -2.630
164 HB2 LEU 28 1HB LEU 28 -0.993 -1.931 -1.106
165 HB3 LEU 28 2HB LEU 28 0.342 -2.624 -0.187
166 HG LEU 28 HG LEU 28 0.900 -0.324 0.602
167 HD11 LEU 28 1HD1 LEU 28 -1.805 0.530 -0.339
168 HD12 LEU 28 2HD1 LEU 28 -0.401 0.698 -1.394
169 HD13 LEU 28 3HD1 LEU 28 -0.431 1.513 0.170
170 HD21 LEU 28 3HD2 LEU 28 -1.204 -2.047 1.398
171 HD22 LEU 28 1HD2 LEU 28 -1.755 -0.386 1.616
172 HD23 LEU 28 2HD2 LEU 28 -0.266 -0.929 2.389
173 H ILE 29 H ILE 29 2.880 -2.567 -0.668
174 HA ILE 29 HA ILE 29 4.140 -0.375 0.461
175 HB ILE 29 HB ILE 29 5.409 -2.950 -0.477
176 HG12 ILE 29 1HG1 ILE 29 4.634 -2.241 2.342
177 HG13 ILE 29 2HG1 ILE 29 3.470 -2.963 1.237
178 HG21 ILE 29 1HG2 ILE 29 6.461 -1.089 1.636
179 HG22 ILE 29 2HG2 ILE 29 7.274 -2.459 0.880
180 HG23 ILE 29 3HG2 ILE 29 6.963 -0.994 -0.052
181 HD11 ILE 29 3HD1 ILE 29 4.267 -4.970 1.687
182 HD12 ILE 29 1HD1 ILE 29 5.873 -4.482 1.148
183 HD13 ILE 29 2HD1 ILE 29 5.399 -4.250 2.832
184 H ILE 30 H ILE 30 4.917 -1.991 -2.617
185 HA ILE 30 HA ILE 30 7.033 -0.355 -3.387
186 HB ILE 30 HB ILE 30 5.007 -1.704 -5.176
187 HG12 ILE 30 1HG1 ILE 30 7.744 -2.695 -4.380
188 HG13 ILE 30 2HG1 ILE 30 6.281 -3.144 -3.511
189 HG21 ILE 30 1HG2 ILE 30 6.533 0.149 -6.122
190 HG22 ILE 30 2HG2 ILE 30 7.824 -1.036 -5.935
191 HG23 ILE 30 3HG2 ILE 30 6.444 -1.392 -6.974
192 HD11 ILE 30 3HD1 ILE 30 5.861 -3.593 -6.286
193 HD12 ILE 30 1HD1 ILE 30 7.389 -4.334 -5.811
194 HD13 ILE 30 2HD1 ILE 30 5.901 -4.760 -4.965
195 H HIS 31 H HIS 31 3.565 0.115 -3.693
196 HA HIS 31 HA HIS 31 3.736 2.392 -5.404
197 HB2 HIS 31 1HB HIS 31 1.689 1.170 -5.422
198 HB3 HIS 31 2HB HIS 31 1.524 1.288 -3.673
199 HD1 HIS 31 HD1 HIS 31 1.038 3.249 -6.821
200 HD2 HIS 31 HD2 HIS 31 0.435 3.683 -2.734
201 HE1 HIS 31 HE1 HIS 31 -0.388 5.305 -6.567
202 H MET 32 H MET 32 3.495 1.917 -1.916
203 HA MET 32 HA MET 32 3.099 4.615 -1.210
204 HB2 MET 32 1HB MET 32 4.342 2.334 0.333
205 HB3 MET 32 2HB MET 32 3.957 3.900 1.034
206 HG2 MET 32 1HG MET 32 2.054 1.854 -0.065
207 HG3 MET 32 2HG MET 32 2.199 2.422 1.596
208 HE1 MET 32 3HE MET 32 0.764 4.505 2.536
209 HE2 MET 32 1HE MET 32 2.250 5.189 1.876
210 HE3 MET 32 2HE MET 32 0.698 5.949 1.525
211 H ARG 33 H ARG 33 5.870 2.917 -2.308
212 HA ARG 33 HA ARG 33 7.959 4.310 -1.127
213 HB2 ARG 33 1HB ARG 33 7.795 3.248 -3.954
214 HB3 ARG 33 2HB ARG 33 9.277 3.698 -3.121
215 HG2 ARG 33 1HG ARG 33 8.934 1.936 -1.495
216 HG3 ARG 33 2HG ARG 33 7.397 1.513 -2.252
217 HD2 ARG 33 1HD ARG 33 8.995 -0.046 -3.046
218 HD3 ARG 33 2HD ARG 33 8.687 1.079 -4.369
219 HE ARG 33 HE ARG 33 11.150 0.760 -2.885
220 HH11 ARG 33 1HH1 ARG 33 9.282 2.754 -5.042
221 HH12 ARG 33 2HH1 ARG 33 10.658 3.613 -5.649
222 HH21 ARG 33 1HH2 ARG 33 12.970 1.884 -3.677
223 HH22 ARG 33 2HH2 ARG 33 12.755 3.117 -4.873
224 H THR 34 H THR 34 5.814 5.246 -3.724
225 HA THR 34 HA THR 34 7.352 7.682 -4.226
226 HB THR 34 HB THR 34 5.795 8.076 -6.083
227 HG1 THR 34 HG1 THR 34 4.412 6.046 -6.481
228 HG21 THR 34 3HG2 THR 34 7.809 6.327 -6.067
229 HG22 THR 34 1HG2 THR 34 6.809 6.599 -7.493
230 HG23 THR 34 2HG2 THR 34 6.495 5.215 -6.447
231 H HIS 35 H HIS 35 5.856 7.208 -1.716
232 HA HIS 35 HA HIS 35 4.108 9.572 -1.856
233 HB2 HIS 35 1HB HIS 35 3.588 6.892 -0.652
234 HB3 HIS 35 2HB HIS 35 2.944 8.309 0.171
235 HD1 HIS 35 HD1 HIS 35 1.501 9.944 -1.562
236 HD2 HIS 35 HD2 HIS 35 1.918 5.928 -2.540
237 HE1 HIS 35 HE1 HIS 35 -0.333 9.461 -3.213
238 H SER 36 H SER 36 6.107 7.514 0.227
239 HA SER 36 HA SER 36 6.166 9.245 2.447
240 HB2 SER 36 1HB SER 36 6.949 6.742 2.160
241 HB3 SER 36 2HB SER 36 8.508 7.490 1.812
242 HG SER 36 HG SER 36 7.847 8.733 3.894
243 H GLY 37 H GLY 37 7.848 10.626 3.195
244 HA2 GLY 37 1HA GLY 37 9.852 11.476 1.247
245 HA3 GLY 37 2HA GLY 37 8.667 12.677 1.738
246 H GLU 38 H GLU 38 10.698 13.792 2.410
247 HA GLU 38 HA GLU 38 11.448 12.956 5.134
248 HB2 GLU 38 1HB GLU 38 13.138 14.029 2.900
249 HB3 GLU 38 2HB GLU 38 13.613 14.296 4.572
250 HG2 GLU 38 1HG GLU 38 13.910 12.016 4.976
251 HG3 GLU 38 2HG GLU 38 12.997 11.553 3.542
252 H LYS 39 H LYS 39 9.914 15.249 3.287
253 HA LYS 39 HA LYS 39 10.184 17.250 5.427
254 HB2 LYS 39 1HB LYS 39 10.111 17.759 2.449
255 HB3 LYS 39 2HB LYS 39 9.925 19.016 3.665
256 HG2 LYS 39 1HG LYS 39 12.180 18.305 4.558
257 HG3 LYS 39 2HG LYS 39 12.348 17.337 3.091
258 HD2 LYS 39 1HD LYS 39 13.356 19.272 2.403
259 HD3 LYS 39 2HD LYS 39 11.690 19.617 1.931
260 HE2 LYS 39 1HE LYS 39 11.379 21.127 3.632
261 HE3 LYS 39 2HE LYS 39 12.590 20.374 4.667
262 HZ1 LYS 39 3HZ LYS 39 13.714 22.224 4.023
263 HZ2 LYS 39 1HZ LYS 39 12.935 22.336 2.526
264 HZ3 LYS 39 2HZ LYS 39 14.168 21.202 2.754
265 HA PRO 40 HA PRO 40 5.789 17.077 5.607
266 HB2 PRO 40 1HB PRO 40 5.307 19.486 6.763
267 HB3 PRO 40 2HB PRO 40 5.981 18.113 7.649
268 HG2 PRO 40 1HG PRO 40 7.385 20.476 6.465
269 HG3 PRO 40 2HG PRO 40 7.636 19.698 8.039
270 HD2 PRO 40 1HD PRO 40 9.254 19.245 5.915
271 HD3 PRO 40 2HD PRO 40 8.914 18.004 7.138
272 H SER 41 H SER 41 7.471 19.604 3.927
273 HA SER 41 HA SER 41 4.996 20.296 2.484
274 HB2 SER 41 1HB SER 41 6.094 22.166 3.751
275 HB3 SER 41 2HB SER 41 7.500 21.982 2.702
276 HG SER 41 HG SER 41 6.288 23.521 1.739
277 H GLY 42 H GLY 42 5.588 21.203 0.195
278 HA2 GLY 42 1HA GLY 42 7.500 19.309 -1.028
279 HA3 GLY 42 2HA GLY 42 5.964 19.733 -1.770
280 HA PRO 43 HA PRO 43 8.995 23.529 -2.107
281 HB2 PRO 43 1HB PRO 43 11.624 22.864 -1.986
282 HB3 PRO 43 2HB PRO 43 10.689 23.348 -0.566
283 HG2 PRO 43 1HG PRO 43 11.425 20.601 -1.503
284 HG3 PRO 43 2HG PRO 43 11.450 21.267 0.140
285 HD2 PRO 43 1HD PRO 43 9.446 19.684 -0.760
286 HD3 PRO 43 2HD PRO 43 9.182 20.977 0.428
287 H SER 44 H SER 44 8.904 23.979 -4.209
288 HA SER 44 HA SER 44 10.287 22.188 -6.095
289 HB2 SER 44 1HB SER 44 7.652 23.616 -6.525
290 HB3 SER 44 2HB SER 44 8.517 22.695 -7.754
291 HG SER 44 HG SER 44 7.973 21.422 -5.335
292 H SER 45 H SER 45 11.680 24.239 -5.061
293 HA SER 45 HA SER 45 11.436 26.571 -6.770
294 HB2 SER 45 1HB SER 45 13.314 27.462 -5.447
295 HB3 SER 45 2HB SER 45 12.017 26.877 -4.404
296 HG SER 45 HG SER 45 13.431 24.811 -4.584
297 H GLY 46 H GLY 46 12.496 23.635 -7.407
298 HA2 GLY 46 1HA GLY 46 13.932 22.745 -8.960
299 HA3 GLY 46 2HA GLY 46 14.054 24.367 -9.625
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -29.981 -5.211 12.056
2 HA2 GLY 1 1HA GLY 1 -27.082 -5.559 11.678
3 HA3 GLY 1 2HA GLY 1 -28.251 -5.306 10.391
4 H SER 2 H SER 2 -26.947 -3.605 9.574
5 HA SER 2 HA SER 2 -27.172 -1.118 11.140
6 HB2 SER 2 1HB SER 2 -25.073 -0.360 10.057
7 HB3 SER 2 2HB SER 2 -24.832 -1.800 11.045
8 HG SER 2 HG SER 2 -23.826 -1.911 8.957
9 H SER 3 H SER 3 -29.180 -1.961 9.423
10 HA SER 3 HA SER 3 -30.512 -1.196 7.745
11 HB2 SER 3 1HB SER 3 -29.769 1.027 8.806
12 HB3 SER 3 2HB SER 3 -28.662 1.165 7.441
13 HG SER 3 HG SER 3 -31.392 0.634 7.010
14 H GLY 4 H GLY 4 -28.562 -3.050 7.055
15 HA2 GLY 4 1HA GLY 4 -27.648 -4.008 5.179
16 HA3 GLY 4 2HA GLY 4 -28.527 -2.807 4.244
17 H SER 5 H SER 5 -25.489 -3.719 5.598
18 HA SER 5 HA SER 5 -24.251 -1.260 4.560
19 HB2 SER 5 1HB SER 5 -22.300 -1.879 5.971
20 HB3 SER 5 2HB SER 5 -23.773 -1.652 6.914
21 HG SER 5 HG SER 5 -22.723 -4.147 6.052
22 H SER 6 H SER 6 -24.027 -1.773 2.411
23 HA SER 6 HA SER 6 -22.877 -4.289 1.590
24 HB2 SER 6 1HB SER 6 -23.788 -1.823 0.117
25 HB3 SER 6 2HB SER 6 -22.926 -3.122 -0.708
26 HG SER 6 HG SER 6 -25.387 -3.313 0.692
27 H GLY 7 H GLY 7 -21.880 -0.874 1.549
28 HA2 GLY 7 1HA GLY 7 -19.787 0.074 1.576
29 HA3 GLY 7 2HA GLY 7 -19.166 -1.491 2.081
30 H ALA 8 H ALA 8 -17.431 -0.389 0.599
31 HA ALA 8 HA ALA 8 -17.875 -1.364 -2.148
32 HB1 ALA 8 3HB ALA 8 -15.881 0.768 -1.463
33 HB2 ALA 8 1HB ALA 8 -16.604 0.383 -3.026
34 HB3 ALA 8 2HB ALA 8 -17.573 1.158 -1.772
35 H GLY 9 H GLY 9 -17.131 -3.455 -1.355
36 HA2 GLY 9 1HA GLY 9 -15.513 -5.015 -0.773
37 HA3 GLY 9 2HA GLY 9 -14.678 -4.244 -2.113
38 H GLU 10 H GLU 10 -15.273 -3.799 1.371
39 HA GLU 10 HA GLU 10 -13.145 -2.064 1.867
40 HB2 GLU 10 1HB GLU 10 -15.126 -2.901 3.387
41 HB3 GLU 10 2HB GLU 10 -13.944 -4.089 3.917
42 HG2 GLU 10 1HG GLU 10 -13.772 -2.356 5.462
43 HG3 GLU 10 2HG GLU 10 -12.405 -2.116 4.376
44 H LYS 11 H LYS 11 -11.185 -2.570 1.039
45 HA LYS 11 HA LYS 11 -10.039 -5.198 1.683
46 HB2 LYS 11 1HB LYS 11 -9.462 -3.173 -0.458
47 HB3 LYS 11 2HB LYS 11 -8.258 -4.379 -0.022
48 HG2 LYS 11 1HG LYS 11 -10.097 -6.104 -0.432
49 HG3 LYS 11 2HG LYS 11 -10.970 -4.793 -1.228
50 HD2 LYS 11 1HD LYS 11 -9.812 -5.891 -2.954
51 HD3 LYS 11 2HD LYS 11 -8.857 -4.447 -2.612
52 HE2 LYS 11 1HE LYS 11 -7.277 -6.163 -2.777
53 HE3 LYS 11 2HE LYS 11 -7.499 -5.940 -1.042
54 HZ1 LYS 11 3HZ LYS 11 -9.027 -7.973 -2.548
55 HZ2 LYS 11 1HZ LYS 11 -8.751 -7.883 -0.881
56 HZ3 LYS 11 2HZ LYS 11 -7.490 -8.305 -1.926
57 HA PRO 12 HA PRO 12 -7.325 -3.420 4.655
58 HB2 PRO 12 1HB PRO 12 -5.322 -5.251 4.577
59 HB3 PRO 12 2HB PRO 12 -6.889 -5.573 5.328
60 HG2 PRO 12 1HG PRO 12 -5.891 -6.359 2.617
61 HG3 PRO 12 2HG PRO 12 -6.810 -7.318 3.792
62 HD2 PRO 12 1HD PRO 12 -7.971 -6.134 1.652
63 HD3 PRO 12 2HD PRO 12 -8.818 -6.355 3.196
64 H TYR 13 H TYR 13 -5.891 -4.467 1.579
65 HA TYR 13 HA TYR 13 -3.696 -2.586 1.887
66 HB2 TYR 13 1HB TYR 13 -4.198 -4.220 -0.581
67 HB3 TYR 13 2HB TYR 13 -2.667 -3.665 0.086
68 HD1 TYR 13 HD2 TYR 13 -2.144 -4.637 2.515
69 HD2 TYR 13 HD1 TYR 13 -4.729 -6.451 -0.336
70 HE1 TYR 13 HE2 TYR 13 -1.835 -6.809 3.626
71 HE2 TYR 13 HE1 TYR 13 -4.428 -8.628 0.767
72 HH TYR 13 HH TYR 13 -2.284 -9.578 2.408
73 H GLY 14 H GLY 14 -4.893 -0.625 1.818
74 HA2 GLY 14 1HA GLY 14 -5.454 0.232 -0.923
75 HA3 GLY 14 2HA GLY 14 -6.746 0.401 0.257
76 H CYS 15 H CYS 15 -3.977 1.811 -1.086
77 HA CYS 15 HA CYS 15 -3.030 3.425 0.983
78 HB2 CYS 15 1HB CYS 15 -1.768 3.276 -1.042
79 HB3 CYS 15 2HB CYS 15 -3.120 3.868 -2.002
80 H SER 16 H SER 16 -3.446 5.582 1.561
81 HA SER 16 HA SER 16 -6.153 6.513 0.858
82 HB2 SER 16 1HB SER 16 -4.639 6.520 3.441
83 HB3 SER 16 2HB SER 16 -5.823 7.792 3.141
84 HG SER 16 HG SER 16 -6.608 5.172 2.620
85 H GLU 17 H GLU 17 -2.797 7.390 1.273
86 HA GLU 17 HA GLU 17 -2.827 10.120 1.253
87 HB2 GLU 17 1HB GLU 17 -0.831 8.480 1.203
88 HB3 GLU 17 2HB GLU 17 -0.949 8.611 -0.546
89 HG2 GLU 17 1HG GLU 17 -0.243 10.723 1.451
90 HG3 GLU 17 2HG GLU 17 0.668 10.173 0.046
91 H CYS 18 H CYS 18 -3.131 7.984 -1.565
92 HA CYS 18 HA CYS 18 -4.152 10.291 -3.089
93 HB2 CYS 18 1HB CYS 18 -3.149 9.434 -5.088
94 HB3 CYS 18 2HB CYS 18 -1.900 9.464 -3.848
95 H GLY 19 H GLY 19 -4.340 6.813 -2.521
96 HA2 GLY 19 1HA GLY 19 -6.535 5.803 -2.313
97 HA3 GLY 19 2HA GLY 19 -7.094 6.890 -3.575
98 H LYS 20 H LYS 20 -4.676 4.327 -3.051
99 HA LYS 20 HA LYS 20 -5.437 3.210 -5.661
100 HB2 LYS 20 1HB LYS 20 -3.158 4.541 -5.489
101 HB3 LYS 20 2HB LYS 20 -2.589 3.037 -4.776
102 HG2 LYS 20 1HG LYS 20 -2.764 1.879 -6.731
103 HG3 LYS 20 2HG LYS 20 -4.078 2.888 -7.340
104 HD2 LYS 20 1HD LYS 20 -1.262 3.901 -7.022
105 HD3 LYS 20 2HD LYS 20 -1.835 3.130 -8.502
106 HE2 LYS 20 1HE LYS 20 -3.239 4.870 -9.025
107 HE3 LYS 20 2HE LYS 20 -3.427 5.365 -7.343
108 HZ1 LYS 20 3HZ LYS 20 -1.867 6.881 -7.661
109 HZ2 LYS 20 1HZ LYS 20 -1.670 6.390 -9.268
110 HZ3 LYS 20 2HZ LYS 20 -0.741 5.679 -8.047
111 H ALA 21 H ALA 21 -6.198 1.231 -5.369
112 HA ALA 21 HA ALA 21 -5.392 -0.296 -3.011
113 HB1 ALA 21 3HB ALA 21 -7.652 -0.613 -4.970
114 HB2 ALA 21 1HB ALA 21 -7.272 -1.819 -3.739
115 HB3 ALA 21 2HB ALA 21 -7.740 -0.186 -3.261
116 H PHE 22 H PHE 22 -5.002 -2.639 -3.260
117 HA PHE 22 HA PHE 22 -3.967 -3.460 -5.861
118 HB2 PHE 22 1HB PHE 22 -2.276 -3.601 -3.358
119 HB3 PHE 22 2HB PHE 22 -1.811 -4.137 -4.970
120 HD1 PHE 22 HD1 PHE 22 -2.474 -1.210 -2.851
121 HD2 PHE 22 HD2 PHE 22 -1.063 -2.590 -6.622
122 HE1 PHE 22 HE1 PHE 22 -1.558 1.025 -3.323
123 HE2 PHE 22 HE2 PHE 22 -0.144 -0.358 -7.099
124 HZ PHE 22 HZ PHE 22 -0.390 1.453 -5.448
125 H SER 23 H SER 23 -3.485 -5.775 -5.959
126 HA SER 23 HA SER 23 -5.515 -7.296 -4.662
127 HB2 SER 23 1HB SER 23 -3.174 -8.196 -6.358
128 HB3 SER 23 2HB SER 23 -4.524 -9.220 -5.869
129 HG SER 23 HG SER 23 -5.799 -8.239 -7.266
130 H SER 24 H SER 24 -1.975 -7.216 -4.406
131 HA SER 24 HA SER 24 -2.177 -8.835 -1.956
132 HB2 SER 24 1HB SER 24 0.037 -8.458 -3.961
133 HB3 SER 24 2HB SER 24 0.368 -9.078 -2.344
134 HG SER 24 HG SER 24 -1.567 -10.538 -3.040
135 H LYS 25 H LYS 25 -0.079 -8.304 -0.524
136 HA LYS 25 HA LYS 25 -0.506 -5.608 0.392
137 HB2 LYS 25 1HB LYS 25 -0.263 -7.248 2.093
138 HB3 LYS 25 2HB LYS 25 1.205 -7.889 1.368
139 HG2 LYS 25 1HG LYS 25 1.203 -5.055 2.255
140 HG3 LYS 25 2HG LYS 25 1.271 -6.321 3.483
141 HD2 LYS 25 1HD LYS 25 3.160 -7.297 1.974
142 HD3 LYS 25 2HD LYS 25 3.238 -5.655 1.331
143 HE2 LYS 25 1HE LYS 25 4.758 -5.495 3.034
144 HE3 LYS 25 2HE LYS 25 3.290 -5.015 3.883
145 HZ1 LYS 25 3HZ LYS 25 4.876 -7.447 4.143
146 HZ2 LYS 25 1HZ LYS 25 3.198 -7.619 4.281
147 HZ3 LYS 25 2HZ LYS 25 4.030 -6.575 5.320
148 H SER 26 H SER 26 2.196 -7.441 -0.991
149 HA SER 26 HA SER 26 4.207 -5.568 -0.828
150 HB2 SER 26 1HB SER 26 5.091 -6.634 -2.955
151 HB3 SER 26 2HB SER 26 4.735 -7.751 -1.637
152 HG SER 26 HG SER 26 3.226 -8.636 -2.808
153 H TYR 27 H TYR 27 2.160 -6.061 -3.710
154 HA TYR 27 HA TYR 27 2.896 -4.031 -5.300
155 HB2 TYR 27 1HB TYR 27 0.231 -5.224 -4.715
156 HB3 TYR 27 2HB TYR 27 0.271 -3.759 -5.690
157 HD1 TYR 27 HD2 TYR 27 2.274 -3.897 -7.558
158 HD2 TYR 27 HD1 TYR 27 0.131 -7.183 -5.911
159 HE1 TYR 27 HE2 TYR 27 2.804 -5.234 -9.552
160 HE2 TYR 27 HE1 TYR 27 0.656 -8.530 -7.901
161 HH TYR 27 HH TYR 27 2.700 -8.389 -9.731
162 H LEU 28 H LEU 28 0.790 -3.690 -2.473
163 HA LEU 28 HA LEU 28 0.278 -0.931 -2.789
164 HB2 LEU 28 1HB LEU 28 -1.175 -2.149 -1.393
165 HB3 LEU 28 2HB LEU 28 0.158 -2.792 -0.437
166 HG LEU 28 HG LEU 28 0.542 -0.504 0.460
167 HD11 LEU 28 1HD1 LEU 28 -1.552 1.000 0.189
168 HD12 LEU 28 2HD1 LEU 28 -1.811 0.074 -1.289
169 HD13 LEU 28 3HD1 LEU 28 -0.321 0.991 -1.074
170 HD21 LEU 28 3HD2 LEU 28 -2.092 -1.889 0.862
171 HD22 LEU 28 1HD2 LEU 28 -1.629 -0.472 1.806
172 HD23 LEU 28 2HD2 LEU 28 -0.650 -1.937 1.878
173 H ILE 29 H ILE 29 2.696 -2.702 -0.891
174 HA ILE 29 HA ILE 29 3.872 -0.547 0.416
175 HB ILE 29 HB ILE 29 5.201 -3.071 -0.576
176 HG12 ILE 29 1HG1 ILE 29 3.432 -3.663 0.902
177 HG13 ILE 29 2HG1 ILE 29 4.909 -3.731 1.856
178 HG21 ILE 29 1HG2 ILE 29 6.150 -1.324 1.675
179 HG22 ILE 29 2HG2 ILE 29 7.011 -2.623 0.851
180 HG23 ILE 29 3HG2 ILE 29 6.703 -1.101 0.015
181 HD11 ILE 29 3HD1 ILE 29 2.574 -1.977 2.105
182 HD12 ILE 29 1HD1 ILE 29 3.699 -2.560 3.331
183 HD13 ILE 29 2HD1 ILE 29 4.137 -1.187 2.314
184 H ILE 30 H ILE 30 4.926 -2.082 -2.628
185 HA ILE 30 HA ILE 30 7.028 -0.442 -3.274
186 HB ILE 30 HB ILE 30 4.997 -1.560 -5.210
187 HG12 ILE 30 1HG1 ILE 30 7.660 -2.773 -4.510
188 HG13 ILE 30 2HG1 ILE 30 6.221 -3.135 -3.564
189 HG21 ILE 30 1HG2 ILE 30 6.720 0.278 -5.915
190 HG22 ILE 30 2HG2 ILE 30 7.859 -1.067 -5.883
191 HG23 ILE 30 3HG2 ILE 30 6.449 -1.131 -6.940
192 HD11 ILE 30 3HD1 ILE 30 5.126 -4.028 -5.528
193 HD12 ILE 30 1HD1 ILE 30 6.520 -3.603 -6.521
194 HD13 ILE 30 2HD1 ILE 30 6.674 -4.831 -5.264
195 H HIS 31 H HIS 31 3.589 0.188 -3.658
196 HA HIS 31 HA HIS 31 3.854 2.542 -5.217
197 HB2 HIS 31 1HB HIS 31 1.734 1.496 -5.257
198 HB3 HIS 31 2HB HIS 31 1.638 1.438 -3.499
199 HD1 HIS 31 HD1 HIS 31 1.192 3.767 -6.402
200 HD2 HIS 31 HD2 HIS 31 0.673 3.749 -2.280
201 HE1 HIS 31 HE1 HIS 31 -0.119 5.848 -5.880
202 H MET 32 H MET 32 3.464 1.991 -1.732
203 HA MET 32 HA MET 32 3.221 4.565 -0.820
204 HB2 MET 32 1HB MET 32 4.591 2.157 0.337
205 HB3 MET 32 2HB MET 32 4.601 3.691 1.197
206 HG2 MET 32 1HG MET 32 1.998 2.639 0.235
207 HG3 MET 32 2HG MET 32 2.754 1.866 1.626
208 HE1 MET 32 3HE MET 32 0.106 5.069 1.191
209 HE2 MET 32 1HE MET 32 1.519 6.100 0.963
210 HE3 MET 32 2HE MET 32 1.293 4.677 -0.055
211 H ARG 33 H ARG 33 6.019 3.026 -2.179
212 HA ARG 33 HA ARG 33 8.077 4.602 -1.199
213 HB2 ARG 33 1HB ARG 33 7.775 3.450 -3.978
214 HB3 ARG 33 2HB ARG 33 9.279 4.042 -3.285
215 HG2 ARG 33 1HG ARG 33 9.319 2.298 -1.672
216 HG3 ARG 33 2HG ARG 33 7.678 1.799 -2.085
217 HD2 ARG 33 1HD ARG 33 8.986 0.235 -3.191
218 HD3 ARG 33 2HD ARG 33 8.640 1.418 -4.452
219 HE ARG 33 HE ARG 33 11.204 0.863 -3.234
220 HH11 ARG 33 1HH1 ARG 33 9.298 3.072 -5.133
221 HH12 ARG 33 2HH1 ARG 33 10.672 3.844 -5.852
222 HH21 ARG 33 1HH2 ARG 33 13.021 1.871 -4.174
223 HH22 ARG 33 2HH2 ARG 33 12.789 3.159 -5.307
224 H THR 34 H THR 34 5.733 5.280 -3.722
225 HA THR 34 HA THR 34 6.974 7.578 -4.791
226 HB THR 34 HB THR 34 4.795 8.124 -5.755
227 HG1 THR 34 HG1 THR 34 3.901 6.202 -3.877
228 HG21 THR 34 3HG2 THR 34 4.521 5.302 -6.208
229 HG22 THR 34 1HG2 THR 34 6.229 5.735 -6.151
230 HG23 THR 34 2HG2 THR 34 5.151 6.546 -7.287
231 H HIS 35 H HIS 35 4.699 7.111 -2.135
232 HA HIS 35 HA HIS 35 4.417 9.942 -1.658
233 HB2 HIS 35 1HB HIS 35 3.500 7.522 -0.095
234 HB3 HIS 35 2HB HIS 35 3.144 9.184 0.369
235 HD1 HIS 35 HD1 HIS 35 2.295 10.395 -2.274
236 HD2 HIS 35 HD2 HIS 35 1.128 6.607 -1.027
237 HE1 HIS 35 HE1 HIS 35 0.183 9.890 -3.543
238 H SER 36 H SER 36 7.010 9.686 -1.626
239 HA SER 36 HA SER 36 7.919 9.205 1.112
240 HB2 SER 36 1HB SER 36 9.244 9.369 -1.552
241 HB3 SER 36 2HB SER 36 10.192 9.840 -0.142
242 HG SER 36 HG SER 36 10.432 7.630 -0.533
243 H GLY 37 H GLY 37 8.340 11.727 -1.385
244 HA2 GLY 37 1HA GLY 37 7.988 14.038 -1.036
245 HA3 GLY 37 2HA GLY 37 8.053 13.762 0.699
246 H GLU 38 H GLU 38 10.169 13.423 -2.154
247 HA GLU 38 HA GLU 38 12.333 14.607 -0.542
248 HB2 GLU 38 1HB GLU 38 12.472 12.397 -2.593
249 HB3 GLU 38 2HB GLU 38 13.891 13.262 -2.019
250 HG2 GLU 38 1HG GLU 38 13.708 12.389 0.131
251 HG3 GLU 38 2HG GLU 38 12.026 11.916 -0.105
252 H LYS 39 H LYS 39 14.037 15.668 -1.867
253 HA LYS 39 HA LYS 39 12.833 17.508 -3.692
254 HB2 LYS 39 1HB LYS 39 14.943 18.610 -3.733
255 HB3 LYS 39 2HB LYS 39 14.698 18.048 -2.085
256 HG2 LYS 39 1HG LYS 39 16.237 16.375 -4.022
257 HG3 LYS 39 2HG LYS 39 17.006 17.745 -3.218
258 HD2 LYS 39 1HD LYS 39 16.007 16.669 -1.058
259 HD3 LYS 39 2HD LYS 39 15.938 15.209 -2.048
260 HE2 LYS 39 1HE LYS 39 18.425 15.873 -2.602
261 HE3 LYS 39 2HE LYS 39 18.301 16.742 -1.073
262 HZ1 LYS 39 3HZ LYS 39 17.527 14.603 -0.078
263 HZ2 LYS 39 1HZ LYS 39 19.135 14.593 -0.604
264 HZ3 LYS 39 2HZ LYS 39 17.939 13.834 -1.528
265 HA PRO 40 HA PRO 40 13.514 15.407 -7.498
266 HB2 PRO 40 1HB PRO 40 13.594 17.542 -9.173
267 HB3 PRO 40 2HB PRO 40 12.098 16.954 -8.436
268 HG2 PRO 40 1HG PRO 40 13.843 19.244 -7.613
269 HG3 PRO 40 2HG PRO 40 12.074 19.160 -7.699
270 HD2 PRO 40 1HD PRO 40 13.433 18.909 -5.371
271 HD3 PRO 40 2HD PRO 40 11.902 18.064 -5.678
272 H SER 41 H SER 41 14.981 15.540 -9.475
273 HA SER 41 HA SER 41 17.711 15.884 -8.531
274 HB2 SER 41 1HB SER 41 16.569 14.624 -11.033
275 HB3 SER 41 2HB SER 41 18.296 14.739 -10.696
276 HG SER 41 HG SER 41 17.494 13.689 -8.569
277 H GLY 42 H GLY 42 16.348 18.298 -8.896
278 HA2 GLY 42 1HA GLY 42 17.669 20.226 -9.750
279 HA3 GLY 42 2HA GLY 42 17.704 19.380 -11.290
280 HA PRO 43 HA PRO 43 13.825 22.152 -10.635
281 HB2 PRO 43 1HB PRO 43 14.707 24.514 -11.640
282 HB3 PRO 43 2HB PRO 43 14.799 24.107 -9.923
283 HG2 PRO 43 1HG PRO 43 16.929 23.963 -12.021
284 HG3 PRO 43 2HG PRO 43 17.040 24.557 -10.354
285 HD2 PRO 43 1HD PRO 43 17.899 22.095 -11.083
286 HD3 PRO 43 2HD PRO 43 17.224 22.434 -9.476
287 H SER 44 H SER 44 16.280 22.100 -13.179
288 HA SER 44 HA SER 44 16.125 22.146 -15.461
289 HB2 SER 44 1HB SER 44 15.277 19.847 -14.777
290 HB3 SER 44 2HB SER 44 13.647 20.473 -15.027
291 HG SER 44 HG SER 44 15.687 20.011 -16.903
292 H SER 45 H SER 45 14.949 24.403 -14.282
293 HA SER 45 HA SER 45 12.361 24.915 -15.365
294 HB2 SER 45 1HB SER 45 13.271 26.089 -13.368
295 HB3 SER 45 2HB SER 45 14.433 26.907 -14.413
296 HG SER 45 HG SER 45 11.747 27.061 -15.129
297 H GLY 46 H GLY 46 12.084 24.899 -17.511
298 HA2 GLY 46 1HA GLY 46 13.514 26.860 -19.098
299 HA3 GLY 46 2HA GLY 46 13.798 25.189 -19.560
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -37.388 7.670 -1.725
2 HA2 GLY 1 1HA GLY 1 -35.408 6.843 -2.676
3 HA3 GLY 1 2HA GLY 1 -34.802 8.489 -2.792
4 H SER 2 H SER 2 -33.517 6.055 -1.748
5 HA SER 2 HA SER 2 -32.530 7.211 0.715
6 HB2 SER 2 1HB SER 2 -32.830 5.056 1.975
7 HB3 SER 2 2HB SER 2 -34.336 5.905 1.625
8 HG SER 2 HG SER 2 -34.715 3.832 1.049
9 H SER 3 H SER 3 -30.403 7.155 0.500
10 HA SER 3 HA SER 3 -29.173 5.072 -1.144
11 HB2 SER 3 1HB SER 3 -28.632 7.467 -1.585
12 HB3 SER 3 2HB SER 3 -27.911 7.565 0.021
13 HG SER 3 HG SER 3 -26.717 5.556 -0.929
14 H GLY 4 H GLY 4 -27.536 3.727 -0.409
15 HA2 GLY 4 1HA GLY 4 -25.971 3.613 1.703
16 HA3 GLY 4 2HA GLY 4 -27.517 3.337 2.491
17 H SER 5 H SER 5 -26.166 2.170 -0.588
18 HA SER 5 HA SER 5 -26.803 -0.565 0.291
19 HB2 SER 5 1HB SER 5 -27.972 0.191 -1.748
20 HB3 SER 5 2HB SER 5 -26.417 0.493 -2.521
21 HG SER 5 HG SER 5 -26.949 -2.044 -1.449
22 H SER 6 H SER 6 -24.870 -0.889 1.444
23 HA SER 6 HA SER 6 -22.397 -0.871 -0.141
24 HB2 SER 6 1HB SER 6 -22.422 0.365 2.036
25 HB3 SER 6 2HB SER 6 -22.694 -1.172 2.856
26 HG SER 6 HG SER 6 -20.702 -1.888 2.086
27 H GLY 7 H GLY 7 -21.552 -2.720 -0.837
28 HA2 GLY 7 1HA GLY 7 -22.484 -5.225 0.426
29 HA3 GLY 7 2HA GLY 7 -22.167 -5.069 -1.296
30 H ALA 8 H ALA 8 -20.234 -5.685 -2.014
31 HA ALA 8 HA ALA 8 -18.197 -6.398 -0.047
32 HB1 ALA 8 3HB ALA 8 -17.219 -7.192 -2.481
33 HB2 ALA 8 1HB ALA 8 -18.154 -8.196 -1.373
34 HB3 ALA 8 2HB ALA 8 -18.962 -7.353 -2.695
35 H GLY 9 H GLY 9 -15.870 -6.035 -0.756
36 HA2 GLY 9 1HA GLY 9 -14.406 -4.611 -2.140
37 HA3 GLY 9 2HA GLY 9 -15.618 -3.350 -1.967
38 H GLU 10 H GLU 10 -14.323 -5.522 0.515
39 HA GLU 10 HA GLU 10 -13.253 -3.148 1.896
40 HB2 GLU 10 1HB GLU 10 -15.327 -4.388 2.868
41 HB3 GLU 10 2HB GLU 10 -14.158 -5.604 3.363
42 HG2 GLU 10 1HG GLU 10 -12.929 -3.905 4.622
43 HG3 GLU 10 2HG GLU 10 -14.119 -2.697 4.140
44 H LYS 11 H LYS 11 -11.214 -3.527 0.881
45 HA LYS 11 HA LYS 11 -9.816 -5.989 1.588
46 HB2 LYS 11 1HB LYS 11 -8.996 -3.655 -0.149
47 HB3 LYS 11 2HB LYS 11 -8.011 -5.085 0.131
48 HG2 LYS 11 1HG LYS 11 -9.632 -6.482 -0.958
49 HG3 LYS 11 2HG LYS 11 -10.753 -5.127 -1.111
50 HD2 LYS 11 1HD LYS 11 -9.830 -5.095 -3.201
51 HD3 LYS 11 2HD LYS 11 -8.693 -4.035 -2.364
52 HE2 LYS 11 1HE LYS 11 -8.316 -6.997 -2.792
53 HE3 LYS 11 2HE LYS 11 -7.574 -5.730 -3.768
54 HZ1 LYS 11 3HZ LYS 11 -7.049 -6.424 -0.947
55 HZ2 LYS 11 1HZ LYS 11 -6.643 -4.900 -1.559
56 HZ3 LYS 11 2HZ LYS 11 -5.950 -6.291 -2.226
57 HA PRO 12 HA PRO 12 -7.709 -4.226 5.026
58 HB2 PRO 12 1HB PRO 12 -5.511 -5.819 5.060
59 HB3 PRO 12 2HB PRO 12 -7.109 -6.376 5.572
60 HG2 PRO 12 1HG PRO 12 -5.707 -6.788 2.959
61 HG3 PRO 12 2HG PRO 12 -6.642 -7.947 3.922
62 HD2 PRO 12 1HD PRO 12 -7.668 -6.693 1.753
63 HD3 PRO 12 2HD PRO 12 -8.663 -7.150 3.151
64 H TYR 13 H TYR 13 -6.333 -4.324 1.862
65 HA TYR 13 HA TYR 13 -4.173 -2.502 2.665
66 HB2 TYR 13 1HB TYR 13 -4.435 -3.719 -0.069
67 HB3 TYR 13 2HB TYR 13 -2.987 -3.147 0.752
68 HD1 TYR 13 HD2 TYR 13 -2.735 -4.471 3.181
69 HD2 TYR 13 HD1 TYR 13 -4.459 -5.993 -0.399
70 HE1 TYR 13 HE2 TYR 13 -2.246 -6.764 3.926
71 HE2 TYR 13 HE1 TYR 13 -3.976 -8.290 0.337
72 HH TYR 13 HH TYR 13 -1.945 -9.213 2.269
73 H GLY 14 H GLY 14 -3.924 -0.493 1.717
74 HA2 GLY 14 1HA GLY 14 -5.346 0.492 -0.482
75 HA3 GLY 14 2HA GLY 14 -6.278 0.863 0.960
76 H CYS 15 H CYS 15 -4.399 2.318 -1.117
77 HA CYS 15 HA CYS 15 -2.470 3.583 0.602
78 HB2 CYS 15 1HB CYS 15 -1.746 3.446 -1.616
79 HB3 CYS 15 2HB CYS 15 -3.311 3.936 -2.258
80 H SER 16 H SER 16 -2.808 5.267 1.885
81 HA SER 16 HA SER 16 -5.295 6.796 1.564
82 HB2 SER 16 1HB SER 16 -3.486 6.370 3.947
83 HB3 SER 16 2HB SER 16 -4.810 7.534 3.939
84 HG SER 16 HG SER 16 -5.360 4.911 3.155
85 H GLU 17 H GLU 17 -3.324 7.454 -0.221
86 HA GLU 17 HA GLU 17 -2.464 10.090 0.770
87 HB2 GLU 17 1HB GLU 17 -0.913 8.034 -0.756
88 HB3 GLU 17 2HB GLU 17 -0.561 9.738 -1.004
89 HG2 GLU 17 1HG GLU 17 -0.564 8.426 1.699
90 HG3 GLU 17 2HG GLU 17 0.871 8.572 0.685
91 H CYS 18 H CYS 18 -2.970 8.184 -2.200
92 HA CYS 18 HA CYS 18 -3.998 10.629 -3.484
93 HB2 CYS 18 1HB CYS 18 -3.367 9.638 -5.626
94 HB3 CYS 18 2HB CYS 18 -1.974 9.724 -4.553
95 H GLY 19 H GLY 19 -4.440 7.106 -3.288
96 HA2 GLY 19 1HA GLY 19 -6.821 6.478 -2.770
97 HA3 GLY 19 2HA GLY 19 -7.245 7.515 -4.124
98 H LYS 20 H LYS 20 -4.893 4.895 -3.543
99 HA LYS 20 HA LYS 20 -6.001 3.504 -5.884
100 HB2 LYS 20 1HB LYS 20 -3.159 4.274 -5.354
101 HB3 LYS 20 2HB LYS 20 -3.493 2.782 -6.223
102 HG2 LYS 20 1HG LYS 20 -4.708 4.009 -7.922
103 HG3 LYS 20 2HG LYS 20 -4.465 5.515 -7.033
104 HD2 LYS 20 1HD LYS 20 -1.943 4.921 -7.229
105 HD3 LYS 20 2HD LYS 20 -2.474 3.855 -8.532
106 HE2 LYS 20 1HE LYS 20 -3.007 6.820 -8.356
107 HE3 LYS 20 2HE LYS 20 -1.779 6.058 -9.365
108 HZ1 LYS 20 3HZ LYS 20 -3.363 5.159 -10.761
109 HZ2 LYS 20 1HZ LYS 20 -4.042 6.664 -10.393
110 HZ3 LYS 20 2HZ LYS 20 -4.607 5.270 -9.620
111 H ALA 21 H ALA 21 -5.971 1.266 -5.797
112 HA ALA 21 HA ALA 21 -5.113 0.102 -3.227
113 HB1 ALA 21 3HB ALA 21 -7.643 -0.245 -4.763
114 HB2 ALA 21 1HB ALA 21 -7.026 -1.593 -3.808
115 HB3 ALA 21 2HB ALA 21 -7.394 -0.054 -3.028
116 H PHE 22 H PHE 22 -4.908 -2.363 -3.410
117 HA PHE 22 HA PHE 22 -4.091 -3.331 -6.015
118 HB2 PHE 22 1HB PHE 22 -2.088 -3.246 -3.750
119 HB3 PHE 22 2HB PHE 22 -1.821 -3.887 -5.368
120 HD1 PHE 22 HD1 PHE 22 -2.220 -0.846 -3.363
121 HD2 PHE 22 HD2 PHE 22 -1.406 -2.431 -7.229
122 HE1 PHE 22 HE1 PHE 22 -1.438 1.367 -4.102
123 HE2 PHE 22 HE2 PHE 22 -0.622 -0.221 -7.974
124 HZ PHE 22 HZ PHE 22 -0.636 1.681 -6.410
125 H SER 23 H SER 23 -4.137 -5.543 -6.177
126 HA SER 23 HA SER 23 -5.480 -6.933 -4.029
127 HB2 SER 23 1HB SER 23 -4.651 -7.775 -6.812
128 HB3 SER 23 2HB SER 23 -5.464 -8.852 -5.677
129 HG SER 23 HG SER 23 -6.531 -6.326 -6.358
130 H SER 24 H SER 24 -2.897 -6.132 -3.308
131 HA SER 24 HA SER 24 -1.847 -8.532 -2.274
132 HB2 SER 24 1HB SER 24 -1.110 -8.435 -4.819
133 HB3 SER 24 2HB SER 24 0.127 -7.351 -4.183
134 HG SER 24 HG SER 24 0.544 -9.097 -2.617
135 H LYS 25 H LYS 25 -0.815 -8.034 -0.451
136 HA LYS 25 HA LYS 25 -0.566 -5.463 0.527
137 HB2 LYS 25 1HB LYS 25 -0.399 -7.770 1.724
138 HB3 LYS 25 2HB LYS 25 1.324 -7.623 1.405
139 HG2 LYS 25 1HG LYS 25 -0.213 -5.456 2.795
140 HG3 LYS 25 2HG LYS 25 0.469 -6.831 3.668
141 HD2 LYS 25 1HD LYS 25 2.694 -6.263 2.817
142 HD3 LYS 25 2HD LYS 25 2.011 -4.892 1.942
143 HE2 LYS 25 1HE LYS 25 1.633 -5.164 4.901
144 HE3 LYS 25 2HE LYS 25 3.124 -4.492 4.244
145 HZ1 LYS 25 3HZ LYS 25 1.210 -3.143 2.896
146 HZ2 LYS 25 1HZ LYS 25 2.020 -2.571 4.266
147 HZ3 LYS 25 2HZ LYS 25 0.509 -3.312 4.426
148 H SER 26 H SER 26 2.117 -7.526 -0.610
149 HA SER 26 HA SER 26 4.195 -5.777 -0.439
150 HB2 SER 26 1HB SER 26 3.580 -7.875 -2.511
151 HB3 SER 26 2HB SER 26 5.078 -6.946 -2.561
152 HG SER 26 HG SER 26 4.380 -8.106 -0.129
153 H TYR 27 H TYR 27 2.029 -6.099 -3.249
154 HA TYR 27 HA TYR 27 3.078 -4.191 -4.906
155 HB2 TYR 27 1HB TYR 27 0.961 -5.741 -5.130
156 HB3 TYR 27 2HB TYR 27 0.105 -4.301 -4.589
157 HD1 TYR 27 HD2 TYR 27 1.416 -2.115 -5.909
158 HD2 TYR 27 HD1 TYR 27 0.603 -6.018 -7.395
159 HE1 TYR 27 HE2 TYR 27 1.432 -1.238 -8.207
160 HE2 TYR 27 HE1 TYR 27 0.618 -5.152 -9.697
161 HH TYR 27 HH TYR 27 0.952 -1.698 -10.357
162 H LEU 28 H LEU 28 0.571 -3.625 -2.435
163 HA LEU 28 HA LEU 28 0.199 -0.931 -2.714
164 HB2 LEU 28 1HB LEU 28 -1.142 -2.108 -1.171
165 HB3 LEU 28 2HB LEU 28 0.260 -2.647 -0.249
166 HG LEU 28 HG LEU 28 0.615 -0.311 0.496
167 HD11 LEU 28 1HD1 LEU 28 -0.828 0.480 -1.587
168 HD12 LEU 28 2HD1 LEU 28 -0.700 1.439 -0.113
169 HD13 LEU 28 3HD1 LEU 28 -2.118 0.426 -0.385
170 HD21 LEU 28 3HD2 LEU 28 -0.669 -1.956 1.831
171 HD22 LEU 28 1HD2 LEU 28 -2.152 -1.351 1.093
172 HD23 LEU 28 2HD2 LEU 28 -1.174 -0.289 2.106
173 H ILE 29 H ILE 29 2.700 -2.512 -0.739
174 HA ILE 29 HA ILE 29 3.910 -0.263 0.323
175 HB ILE 29 HB ILE 29 5.269 -2.811 -0.561
176 HG12 ILE 29 1HG1 ILE 29 4.413 -2.119 2.238
177 HG13 ILE 29 2HG1 ILE 29 3.294 -2.882 1.114
178 HG21 ILE 29 1HG2 ILE 29 6.219 -0.961 1.599
179 HG22 ILE 29 2HG2 ILE 29 7.105 -2.233 0.761
180 HG23 ILE 29 3HG2 ILE 29 6.700 -0.739 -0.083
181 HD11 ILE 29 3HD1 ILE 29 4.130 -4.721 2.149
182 HD12 ILE 29 1HD1 ILE 29 5.289 -4.578 0.827
183 HD13 ILE 29 2HD1 ILE 29 5.707 -3.983 2.434
184 H ILE 30 H ILE 30 4.781 -1.962 -2.687
185 HA ILE 30 HA ILE 30 6.849 -0.351 -3.531
186 HB ILE 30 HB ILE 30 4.747 -1.609 -5.298
187 HG12 ILE 30 1HG1 ILE 30 7.429 -2.742 -4.496
188 HG13 ILE 30 2HG1 ILE 30 5.934 -3.131 -3.652
189 HG21 ILE 30 1HG2 ILE 30 6.520 0.179 -6.136
190 HG22 ILE 30 2HG2 ILE 30 7.561 -1.244 -6.160
191 HG23 ILE 30 3HG2 ILE 30 6.074 -1.223 -7.107
192 HD11 ILE 30 3HD1 ILE 30 5.791 -4.832 -5.076
193 HD12 ILE 30 1HD1 ILE 30 5.281 -3.627 -6.259
194 HD13 ILE 30 2HD1 ILE 30 6.971 -4.127 -6.180
195 H HIS 31 H HIS 31 3.386 0.205 -3.778
196 HA HIS 31 HA HIS 31 3.609 2.510 -5.456
197 HB2 HIS 31 1HB HIS 31 1.548 1.277 -5.491
198 HB3 HIS 31 2HB HIS 31 1.351 1.451 -3.750
199 HD1 HIS 31 HD1 HIS 31 1.407 3.627 -6.862
200 HD2 HIS 31 HD2 HIS 31 -0.146 3.594 -3.008
201 HE1 HIS 31 HE1 HIS 31 -0.092 5.641 -6.724
202 H MET 32 H MET 32 3.271 1.969 -1.980
203 HA MET 32 HA MET 32 2.982 4.692 -1.265
204 HB2 MET 32 1HB MET 32 3.974 2.331 0.340
205 HB3 MET 32 2HB MET 32 3.604 3.911 1.020
206 HG2 MET 32 1HG MET 32 1.710 1.948 -0.232
207 HG3 MET 32 2HG MET 32 1.740 2.524 1.432
208 HE1 MET 32 3HE MET 32 0.991 4.346 2.321
209 HE2 MET 32 1HE MET 32 1.186 5.891 1.492
210 HE3 MET 32 2HE MET 32 -0.425 5.210 1.719
211 H ARG 33 H ARG 33 5.678 2.827 -2.242
212 HA ARG 33 HA ARG 33 7.788 4.040 -0.897
213 HB2 ARG 33 1HB ARG 33 7.573 2.822 -3.640
214 HB3 ARG 33 2HB ARG 33 9.089 3.487 -3.047
215 HG2 ARG 33 1HG ARG 33 8.697 1.938 -1.014
216 HG3 ARG 33 2HG ARG 33 7.570 1.103 -2.085
217 HD2 ARG 33 1HD ARG 33 9.281 0.589 -3.636
218 HD3 ARG 33 2HD ARG 33 10.412 1.700 -2.864
219 HE ARG 33 HE ARG 33 9.488 -0.481 -1.202
220 HH11 ARG 33 1HH1 ARG 33 11.922 0.681 -3.405
221 HH12 ARG 33 2HH1 ARG 33 13.133 -0.431 -2.858
222 HH21 ARG 33 1HH2 ARG 33 11.074 -1.950 -0.475
223 HH22 ARG 33 2HH2 ARG 33 12.650 -1.928 -1.193
224 H THR 34 H THR 34 5.842 5.193 -3.548
225 HA THR 34 HA THR 34 7.580 7.534 -3.874
226 HB THR 34 HB THR 34 6.873 6.291 -5.921
227 HG1 THR 34 HG1 THR 34 5.663 8.819 -6.089
228 HG21 THR 34 3HG2 THR 34 4.496 6.808 -6.687
229 HG22 THR 34 1HG2 THR 34 4.155 7.201 -5.003
230 HG23 THR 34 2HG2 THR 34 4.677 5.574 -5.440
231 H HIS 35 H HIS 35 5.757 7.064 -1.575
232 HA HIS 35 HA HIS 35 4.065 9.456 -1.896
233 HB2 HIS 35 1HB HIS 35 3.502 6.812 -0.654
234 HB3 HIS 35 2HB HIS 35 2.827 8.235 0.135
235 HD1 HIS 35 HD1 HIS 35 1.521 9.880 -1.748
236 HD2 HIS 35 HD2 HIS 35 1.823 5.805 -2.504
237 HE1 HIS 35 HE1 HIS 35 -0.272 9.374 -3.437
238 H SER 36 H SER 36 6.049 7.549 0.324
239 HA SER 36 HA SER 36 6.398 9.973 1.965
240 HB2 SER 36 1HB SER 36 6.240 7.077 2.803
241 HB3 SER 36 2HB SER 36 6.911 8.327 3.850
242 HG SER 36 HG SER 36 4.782 9.426 3.324
243 H GLY 37 H GLY 37 8.489 10.161 3.049
244 HA2 GLY 37 1HA GLY 37 10.649 8.647 1.743
245 HA3 GLY 37 2HA GLY 37 10.688 10.404 1.722
246 H GLU 38 H GLU 38 9.840 11.000 4.280
247 HA GLU 38 HA GLU 38 12.222 10.325 5.778
248 HB2 GLU 38 1HB GLU 38 9.897 12.160 6.365
249 HB3 GLU 38 2HB GLU 38 11.247 11.921 7.466
250 HG2 GLU 38 1HG GLU 38 11.685 12.802 4.639
251 HG3 GLU 38 2HG GLU 38 11.285 13.954 5.913
252 H LYS 39 H LYS 39 10.738 8.059 5.396
253 HA LYS 39 HA LYS 39 8.839 7.406 7.317
254 HB2 LYS 39 1HB LYS 39 10.842 5.795 5.772
255 HB3 LYS 39 2HB LYS 39 9.857 5.020 7.005
256 HG2 LYS 39 1HG LYS 39 8.694 6.613 4.737
257 HG3 LYS 39 2HG LYS 39 8.987 4.874 4.654
258 HD2 LYS 39 1HD LYS 39 7.373 6.094 6.873
259 HD3 LYS 39 2HD LYS 39 6.641 5.667 5.324
260 HE2 LYS 39 1HE LYS 39 6.994 3.401 5.636
261 HE3 LYS 39 2HE LYS 39 8.298 3.660 6.794
262 HZ1 LYS 39 3HZ LYS 39 6.298 4.741 8.130
263 HZ2 LYS 39 1HZ LYS 39 6.667 3.093 8.229
264 HZ3 LYS 39 2HZ LYS 39 5.416 3.620 7.221
265 HA PRO 40 HA PRO 40 10.930 7.069 11.161
266 HB2 PRO 40 1HB PRO 40 9.691 4.929 12.282
267 HB3 PRO 40 2HB PRO 40 8.907 6.501 12.090
268 HG2 PRO 40 1HG PRO 40 8.669 4.046 10.394
269 HG3 PRO 40 2HG PRO 40 7.398 5.153 10.945
270 HD2 PRO 40 1HD PRO 40 8.443 5.262 8.450
271 HD3 PRO 40 2HD PRO 40 7.864 6.705 9.307
272 H SER 41 H SER 41 11.287 4.749 8.766
273 HA SER 41 HA SER 41 13.178 3.159 10.357
274 HB2 SER 41 1HB SER 41 11.291 2.047 9.016
275 HB3 SER 41 2HB SER 41 12.218 2.478 7.580
276 HG SER 41 HG SER 41 12.656 0.501 9.416
277 H GLY 42 H GLY 42 15.228 3.771 10.222
278 HA2 GLY 42 1HA GLY 42 16.337 4.437 7.594
279 HA3 GLY 42 2HA GLY 42 16.508 5.626 8.876
280 HA PRO 43 HA PRO 43 19.127 1.714 10.084
281 HB2 PRO 43 1HB PRO 43 19.722 0.052 8.021
282 HB3 PRO 43 2HB PRO 43 18.304 -0.168 9.053
283 HG2 PRO 43 1HG PRO 43 18.496 1.076 6.337
284 HG3 PRO 43 2HG PRO 43 17.275 -0.042 6.972
285 HD2 PRO 43 1HD PRO 43 16.854 2.627 6.798
286 HD3 PRO 43 2HD PRO 43 16.137 1.629 8.079
287 H SER 44 H SER 44 21.342 1.785 10.123
288 HA SER 44 HA SER 44 22.595 3.689 8.326
289 HB2 SER 44 1HB SER 44 24.475 3.624 9.854
290 HB3 SER 44 2HB SER 44 22.988 3.764 10.791
291 HG SER 44 HG SER 44 24.823 1.998 11.148
292 H SER 45 H SER 45 24.922 3.136 7.647
293 HA SER 45 HA SER 45 24.920 1.218 5.697
294 HB2 SER 45 1HB SER 45 27.401 1.348 5.748
295 HB3 SER 45 2HB SER 45 26.640 2.938 5.812
296 HG SER 45 HG SER 45 28.013 1.533 7.808
297 H GLY 46 H GLY 46 25.520 -0.914 5.499
298 HA2 GLY 46 1HA GLY 46 25.499 -2.438 7.993
299 HA3 GLY 46 2HA GLY 46 25.262 -3.087 6.377
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -24.539 10.661 5.246
2 HA2 GLY 1 1HA GLY 1 -24.403 7.982 4.586
3 HA3 GLY 1 2HA GLY 1 -23.019 8.947 5.076
4 H SER 2 H SER 2 -25.283 6.525 5.996
5 HA SER 2 HA SER 2 -23.882 6.233 8.572
6 HB2 SER 2 1HB SER 2 -26.812 6.057 7.947
7 HB3 SER 2 2HB SER 2 -26.142 5.126 9.286
8 HG SER 2 HG SER 2 -26.424 6.930 10.337
9 H SER 3 H SER 3 -24.088 3.967 9.460
10 HA SER 3 HA SER 3 -23.385 2.106 7.342
11 HB2 SER 3 1HB SER 3 -23.331 1.702 10.342
12 HB3 SER 3 2HB SER 3 -22.584 0.661 9.131
13 HG SER 3 HG SER 3 -21.085 2.118 10.079
14 H GLY 4 H GLY 4 -24.365 0.087 7.022
15 HA2 GLY 4 1HA GLY 4 -26.287 -1.238 8.351
16 HA3 GLY 4 2HA GLY 4 -27.204 0.068 7.615
17 H SER 5 H SER 5 -26.095 0.319 5.154
18 HA SER 5 HA SER 5 -27.358 -1.568 3.621
19 HB2 SER 5 1HB SER 5 -24.835 -0.091 2.834
20 HB3 SER 5 2HB SER 5 -26.032 -0.777 1.736
21 HG SER 5 HG SER 5 -26.663 1.278 1.881
22 H SER 6 H SER 6 -27.074 -3.692 4.083
23 HA SER 6 HA SER 6 -24.733 -4.989 4.787
24 HB2 SER 6 1HB SER 6 -27.147 -6.032 3.293
25 HB3 SER 6 2HB SER 6 -25.861 -7.068 3.913
26 HG SER 6 HG SER 6 -27.173 -7.052 5.593
27 H GLY 7 H GLY 7 -23.493 -6.595 3.503
28 HA2 GLY 7 1HA GLY 7 -23.107 -7.177 1.026
29 HA3 GLY 7 2HA GLY 7 -22.854 -5.445 0.868
30 H ALA 8 H ALA 8 -20.970 -7.520 0.251
31 HA ALA 8 HA ALA 8 -18.821 -6.713 2.085
32 HB1 ALA 8 3HB ALA 8 -19.836 -9.167 2.306
33 HB2 ALA 8 1HB ALA 8 -18.687 -9.466 1.002
34 HB3 ALA 8 2HB ALA 8 -18.123 -8.823 2.545
35 H GLY 9 H GLY 9 -17.401 -5.603 0.917
36 HA2 GLY 9 1HA GLY 9 -16.166 -6.737 -1.398
37 HA3 GLY 9 2HA GLY 9 -17.248 -5.419 -1.825
38 H GLU 10 H GLU 10 -14.892 -5.976 0.797
39 HA GLU 10 HA GLU 10 -13.544 -3.493 -0.020
40 HB2 GLU 10 1HB GLU 10 -13.194 -2.948 2.366
41 HB3 GLU 10 2HB GLU 10 -14.894 -2.956 1.917
42 HG2 GLU 10 1HG GLU 10 -14.813 -4.027 3.987
43 HG3 GLU 10 2HG GLU 10 -14.962 -5.331 2.811
44 H LYS 11 H LYS 11 -11.342 -3.312 1.087
45 HA LYS 11 HA LYS 11 -10.093 -5.946 1.437
46 HB2 LYS 11 1HB LYS 11 -8.254 -5.370 -0.010
47 HB3 LYS 11 2HB LYS 11 -9.755 -5.177 -0.905
48 HG2 LYS 11 1HG LYS 11 -8.626 -2.798 0.470
49 HG3 LYS 11 2HG LYS 11 -7.840 -3.373 -1.003
50 HD2 LYS 11 1HD LYS 11 -9.633 -2.854 -2.325
51 HD3 LYS 11 2HD LYS 11 -10.800 -3.086 -1.021
52 HE2 LYS 11 1HE LYS 11 -8.841 -0.816 -0.974
53 HE3 LYS 11 2HE LYS 11 -10.357 -0.694 -1.866
54 HZ1 LYS 11 3HZ LYS 11 -10.056 -0.079 0.733
55 HZ2 LYS 11 1HZ LYS 11 -10.641 -1.663 0.837
56 HZ3 LYS 11 2HZ LYS 11 -11.530 -0.486 0.009
57 HA PRO 12 HA PRO 12 -8.077 -4.101 4.878
58 HB2 PRO 12 1HB PRO 12 -5.822 -5.608 4.989
59 HB3 PRO 12 2HB PRO 12 -7.412 -6.222 5.457
60 HG2 PRO 12 1HG PRO 12 -5.917 -6.596 2.890
61 HG3 PRO 12 2HG PRO 12 -6.836 -7.784 3.833
62 HD2 PRO 12 1HD PRO 12 -7.843 -6.583 1.625
63 HD3 PRO 12 2HD PRO 12 -8.861 -7.069 2.995
64 H TYR 13 H TYR 13 -6.050 -4.644 2.011
65 HA TYR 13 HA TYR 13 -4.186 -2.578 2.794
66 HB2 TYR 13 1HB TYR 13 -4.267 -3.843 0.071
67 HB3 TYR 13 2HB TYR 13 -2.878 -3.248 0.974
68 HD1 TYR 13 HD2 TYR 13 -2.312 -4.539 3.170
69 HD2 TYR 13 HD1 TYR 13 -4.714 -6.120 0.034
70 HE1 TYR 13 HE2 TYR 13 -1.856 -6.818 3.976
71 HE2 TYR 13 HE1 TYR 13 -4.266 -8.402 0.833
72 HH TYR 13 HH TYR 13 -3.304 -9.650 2.398
73 H GLY 14 H GLY 14 -3.613 -0.837 1.207
74 HA2 GLY 14 1HA GLY 14 -4.846 0.213 -0.870
75 HA3 GLY 14 2HA GLY 14 -6.085 0.472 0.349
76 H CYS 15 H CYS 15 -4.076 2.193 -1.290
77 HA CYS 15 HA CYS 15 -2.620 3.563 0.797
78 HB2 CYS 15 1HB CYS 15 -1.479 3.490 -1.267
79 HB3 CYS 15 2HB CYS 15 -2.911 3.974 -2.171
80 H SER 16 H SER 16 -2.926 5.746 1.401
81 HA SER 16 HA SER 16 -5.683 6.703 0.998
82 HB2 SER 16 1HB SER 16 -5.477 7.814 3.185
83 HB3 SER 16 2HB SER 16 -5.207 6.077 3.325
84 HG SER 16 HG SER 16 -2.946 6.532 3.294
85 H GLU 17 H GLU 17 -2.293 7.643 1.188
86 HA GLU 17 HA GLU 17 -2.327 10.341 1.054
87 HB2 GLU 17 1HB GLU 17 -0.643 8.457 -0.600
88 HB3 GLU 17 2HB GLU 17 -0.333 10.182 -0.465
89 HG2 GLU 17 1HG GLU 17 -0.490 8.426 1.956
90 HG3 GLU 17 2HG GLU 17 0.999 8.598 1.028
91 H CYS 18 H CYS 18 -2.942 8.154 -1.669
92 HA CYS 18 HA CYS 18 -4.104 10.438 -3.124
93 HB2 CYS 18 1HB CYS 18 -3.330 9.515 -5.207
94 HB3 CYS 18 2HB CYS 18 -1.955 9.623 -4.113
95 H GLY 19 H GLY 19 -4.280 7.018 -2.349
96 HA2 GLY 19 1HA GLY 19 -6.414 5.991 -1.944
97 HA3 GLY 19 2HA GLY 19 -7.115 7.069 -3.142
98 H LYS 20 H LYS 20 -4.607 4.546 -2.915
99 HA LYS 20 HA LYS 20 -5.654 3.433 -5.432
100 HB2 LYS 20 1HB LYS 20 -3.335 4.680 -5.450
101 HB3 LYS 20 2HB LYS 20 -2.752 3.178 -4.746
102 HG2 LYS 20 1HG LYS 20 -3.627 1.944 -6.673
103 HG3 LYS 20 2HG LYS 20 -4.181 3.462 -7.382
104 HD2 LYS 20 1HD LYS 20 -1.997 4.225 -7.738
105 HD3 LYS 20 2HD LYS 20 -1.309 3.055 -6.610
106 HE2 LYS 20 1HE LYS 20 -0.756 2.159 -8.675
107 HE3 LYS 20 2HE LYS 20 -2.230 1.287 -8.258
108 HZ1 LYS 20 3HZ LYS 20 -2.022 2.249 -10.598
109 HZ2 LYS 20 1HZ LYS 20 -2.329 3.751 -9.881
110 HZ3 LYS 20 2HZ LYS 20 -3.473 2.510 -9.769
111 H ALA 21 H ALA 21 -6.395 1.442 -5.165
112 HA ALA 21 HA ALA 21 -5.501 -0.118 -2.854
113 HB1 ALA 21 3HB ALA 21 -7.473 -1.574 -3.457
114 HB2 ALA 21 1HB ALA 21 -7.857 0.070 -2.947
115 HB3 ALA 21 2HB ALA 21 -7.897 -0.355 -4.659
116 H PHE 22 H PHE 22 -4.958 -2.354 -3.075
117 HA PHE 22 HA PHE 22 -4.190 -3.208 -5.775
118 HB2 PHE 22 1HB PHE 22 -2.387 -3.407 -3.353
119 HB3 PHE 22 2HB PHE 22 -2.016 -3.982 -4.975
120 HD1 PHE 22 HD1 PHE 22 -2.690 -0.937 -2.984
121 HD2 PHE 22 HD2 PHE 22 -1.082 -2.554 -6.578
122 HE1 PHE 22 HE1 PHE 22 -1.720 1.257 -3.533
123 HE2 PHE 22 HE2 PHE 22 -0.109 -0.363 -7.133
124 HZ PHE 22 HZ PHE 22 -0.427 1.546 -5.609
125 H SER 23 H SER 23 -3.649 -5.557 -5.856
126 HA SER 23 HA SER 23 -5.715 -7.056 -4.592
127 HB2 SER 23 1HB SER 23 -3.475 -7.690 -6.475
128 HB3 SER 23 2HB SER 23 -4.310 -9.013 -5.662
129 HG SER 23 HG SER 23 -6.099 -8.584 -6.755
130 H SER 24 H SER 24 -2.185 -6.964 -4.239
131 HA SER 24 HA SER 24 -2.467 -8.522 -1.754
132 HB2 SER 24 1HB SER 24 -0.357 -9.465 -2.106
133 HB3 SER 24 2HB SER 24 -1.023 -9.390 -3.737
134 HG SER 24 HG SER 24 0.821 -7.596 -2.543
135 H LYS 25 H LYS 25 -0.298 -8.033 -0.373
136 HA LYS 25 HA LYS 25 -0.583 -5.252 0.384
137 HB2 LYS 25 1HB LYS 25 -0.461 -7.252 1.990
138 HB3 LYS 25 2HB LYS 25 1.266 -7.259 1.660
139 HG2 LYS 25 1HG LYS 25 0.009 -4.703 2.501
140 HG3 LYS 25 2HG LYS 25 0.254 -5.962 3.714
141 HD2 LYS 25 1HD LYS 25 2.521 -5.288 1.909
142 HD3 LYS 25 2HD LYS 25 2.112 -4.150 3.195
143 HE2 LYS 25 1HE LYS 25 3.672 -5.531 4.210
144 HE3 LYS 25 2HE LYS 25 2.139 -6.234 4.724
145 HZ1 LYS 25 3HZ LYS 25 3.623 -7.213 2.356
146 HZ2 LYS 25 1HZ LYS 25 2.356 -7.973 3.179
147 HZ3 LYS 25 2HZ LYS 25 3.876 -7.837 3.908
148 H SER 26 H SER 26 1.964 -7.404 -0.804
149 HA SER 26 HA SER 26 4.137 -5.696 -0.651
150 HB2 SER 26 1HB SER 26 4.780 -7.017 -2.883
151 HB3 SER 26 2HB SER 26 4.802 -7.794 -1.301
152 HG SER 26 HG SER 26 2.807 -7.941 -3.301
153 H TYR 27 H TYR 27 1.561 -5.830 -3.033
154 HA TYR 27 HA TYR 27 2.741 -4.091 -4.928
155 HB2 TYR 27 1HB TYR 27 0.011 -5.163 -4.421
156 HB3 TYR 27 2HB TYR 27 0.143 -3.735 -5.442
157 HD1 TYR 27 HD2 TYR 27 2.341 -4.062 -7.136
158 HD2 TYR 27 HD1 TYR 27 -0.231 -7.101 -5.633
159 HE1 TYR 27 HE2 TYR 27 2.908 -5.486 -9.060
160 HE2 TYR 27 HE1 TYR 27 0.330 -8.533 -7.553
161 HH TYR 27 HH TYR 27 2.343 -8.721 -9.183
162 H LEU 28 H LEU 28 0.987 -3.565 -1.973
163 HA LEU 28 HA LEU 28 0.384 -0.808 -2.480
164 HB2 LEU 28 1HB LEU 28 -1.032 -2.003 -0.983
165 HB3 LEU 28 2HB LEU 28 0.338 -2.496 0.011
166 HG LEU 28 HG LEU 28 0.636 -0.022 0.543
167 HD11 LEU 28 1HD1 LEU 28 -0.999 1.508 0.050
168 HD12 LEU 28 2HD1 LEU 28 -2.243 0.277 -0.166
169 HD13 LEU 28 3HD1 LEU 28 -1.019 0.521 -1.412
170 HD21 LEU 28 3HD2 LEU 28 -1.534 -1.820 1.486
171 HD22 LEU 28 1HD2 LEU 28 -1.526 -0.152 2.058
172 HD23 LEU 28 2HD2 LEU 28 -0.129 -1.189 2.347
173 H ILE 29 H ILE 29 2.927 -2.580 -0.810
174 HA ILE 29 HA ILE 29 4.165 -0.381 0.440
175 HB ILE 29 HB ILE 29 5.425 -2.961 -0.497
176 HG12 ILE 29 1HG1 ILE 29 4.505 -2.271 2.290
177 HG13 ILE 29 2HG1 ILE 29 3.450 -3.069 1.128
178 HG21 ILE 29 1HG2 ILE 29 6.407 -0.710 1.206
179 HG22 ILE 29 2HG2 ILE 29 6.983 -2.352 1.490
180 HG23 ILE 29 3HG2 ILE 29 7.237 -1.588 -0.079
181 HD11 ILE 29 3HD1 ILE 29 6.008 -4.100 2.312
182 HD12 ILE 29 1HD1 ILE 29 4.381 -4.757 2.486
183 HD13 ILE 29 2HD1 ILE 29 5.210 -4.853 0.932
184 H ILE 30 H ILE 30 4.833 -1.987 -2.662
185 HA ILE 30 HA ILE 30 7.014 -0.445 -3.449
186 HB ILE 30 HB ILE 30 4.894 -1.603 -5.262
187 HG12 ILE 30 1HG1 ILE 30 7.499 -2.923 -4.552
188 HG13 ILE 30 2HG1 ILE 30 6.078 -3.138 -3.536
189 HG21 ILE 30 1HG2 ILE 30 7.777 -1.263 -5.969
190 HG22 ILE 30 2HG2 ILE 30 6.370 -1.382 -7.025
191 HG23 ILE 30 3HG2 ILE 30 6.664 0.098 -6.113
192 HD11 ILE 30 3HD1 ILE 30 4.859 -4.087 -5.394
193 HD12 ILE 30 1HD1 ILE 30 6.231 -3.805 -6.465
194 HD13 ILE 30 2HD1 ILE 30 6.369 -4.961 -5.140
195 H HIS 31 H HIS 31 3.567 0.199 -3.681
196 HA HIS 31 HA HIS 31 3.775 2.467 -5.377
197 HB2 HIS 31 1HB HIS 31 1.660 1.365 -5.237
198 HB3 HIS 31 2HB HIS 31 1.616 1.533 -3.485
199 HD1 HIS 31 HD1 HIS 31 1.126 3.493 -6.647
200 HD2 HIS 31 HD2 HIS 31 0.671 3.971 -2.545
201 HE1 HIS 31 HE1 HIS 31 -0.165 5.631 -6.358
202 H MET 32 H MET 32 3.632 2.056 -1.864
203 HA MET 32 HA MET 32 3.414 4.699 -1.081
204 HB2 MET 32 1HB MET 32 4.626 2.265 0.145
205 HB3 MET 32 2HB MET 32 4.939 3.822 0.901
206 HG2 MET 32 1HG MET 32 2.132 3.128 0.237
207 HG3 MET 32 2HG MET 32 2.895 2.313 1.600
208 HE1 MET 32 3HE MET 32 1.798 5.704 0.044
209 HE2 MET 32 1HE MET 32 0.496 4.906 0.926
210 HE3 MET 32 2HE MET 32 1.135 6.446 1.501
211 H ARG 33 H ARG 33 6.111 3.037 -2.474
212 HA ARG 33 HA ARG 33 8.288 4.482 -1.639
213 HB2 ARG 33 1HB ARG 33 7.629 3.344 -4.351
214 HB3 ARG 33 2HB ARG 33 9.184 4.086 -3.997
215 HG2 ARG 33 1HG ARG 33 9.353 2.431 -2.070
216 HG3 ARG 33 2HG ARG 33 7.998 1.592 -2.829
217 HD2 ARG 33 1HD ARG 33 10.113 0.615 -3.526
218 HD3 ARG 33 2HD ARG 33 9.297 1.372 -4.893
219 HE ARG 33 HE ARG 33 11.000 3.283 -3.870
220 HH11 ARG 33 1HH1 ARG 33 11.286 0.090 -5.228
221 HH12 ARG 33 2HH1 ARG 33 12.867 0.367 -5.880
222 HH21 ARG 33 1HH2 ARG 33 13.082 3.659 -4.723
223 HH22 ARG 33 2HH2 ARG 33 13.888 2.397 -5.591
224 H THR 34 H THR 34 5.894 5.383 -4.072
225 HA THR 34 HA THR 34 7.195 7.739 -4.950
226 HB THR 34 HB THR 34 4.950 8.389 -5.838
227 HG1 THR 34 HG1 THR 34 3.204 7.269 -5.292
228 HG21 THR 34 3HG2 THR 34 4.710 6.197 -7.238
229 HG22 THR 34 1HG2 THR 34 6.185 5.722 -6.397
230 HG23 THR 34 2HG2 THR 34 6.166 7.179 -7.391
231 H HIS 35 H HIS 35 4.527 7.225 -2.647
232 HA HIS 35 HA HIS 35 4.285 9.951 -1.920
233 HB2 HIS 35 1HB HIS 35 3.414 7.402 -0.558
234 HB3 HIS 35 2HB HIS 35 3.053 9.000 0.087
235 HD1 HIS 35 HD1 HIS 35 2.075 10.539 -2.256
236 HD2 HIS 35 HD2 HIS 35 1.142 6.527 -1.716
237 HE1 HIS 35 HE1 HIS 35 -0.017 10.150 -3.595
238 H SER 36 H SER 36 6.382 10.700 -1.480
239 HA SER 36 HA SER 36 8.294 11.059 -0.275
240 HB2 SER 36 1HB SER 36 6.221 11.780 1.206
241 HB3 SER 36 2HB SER 36 6.777 10.456 2.230
242 HG SER 36 HG SER 36 7.858 12.932 1.838
243 H GLY 37 H GLY 37 8.186 8.445 -1.212
244 HA2 GLY 37 1HA GLY 37 8.932 6.710 1.014
245 HA3 GLY 37 2HA GLY 37 8.730 6.223 -0.663
246 H GLU 38 H GLU 38 10.738 8.757 0.823
247 HA GLU 38 HA GLU 38 13.169 7.305 0.355
248 HB2 GLU 38 1HB GLU 38 14.129 8.877 -1.268
249 HB3 GLU 38 2HB GLU 38 12.724 8.050 -1.923
250 HG2 GLU 38 1HG GLU 38 11.396 10.106 -1.208
251 HG3 GLU 38 2HG GLU 38 12.960 10.894 -1.012
252 H LYS 39 H LYS 39 15.044 8.415 1.154
253 HA LYS 39 HA LYS 39 14.377 10.658 2.948
254 HB2 LYS 39 1HB LYS 39 16.027 8.202 3.372
255 HB3 LYS 39 2HB LYS 39 16.477 9.678 4.216
256 HG2 LYS 39 1HG LYS 39 14.477 9.739 5.422
257 HG3 LYS 39 2HG LYS 39 13.683 8.599 4.332
258 HD2 LYS 39 1HD LYS 39 14.154 7.222 6.105
259 HD3 LYS 39 2HD LYS 39 15.609 6.996 5.132
260 HE2 LYS 39 1HE LYS 39 16.585 8.928 6.515
261 HE3 LYS 39 2HE LYS 39 15.240 8.638 7.617
262 HZ1 LYS 39 3HZ LYS 39 17.029 6.443 6.782
263 HZ2 LYS 39 1HZ LYS 39 16.021 6.528 8.138
264 HZ3 LYS 39 2HZ LYS 39 17.434 7.455 8.074
265 HA PRO 40 HA PRO 40 17.441 13.020 0.847
266 HB2 PRO 40 1HB PRO 40 18.010 14.823 2.796
267 HB3 PRO 40 2HB PRO 40 16.508 14.857 1.865
268 HG2 PRO 40 1HG PRO 40 17.014 13.760 4.604
269 HG3 PRO 40 2HG PRO 40 15.645 14.725 4.020
270 HD2 PRO 40 1HD PRO 40 15.508 12.038 4.326
271 HD3 PRO 40 2HD PRO 40 14.605 12.904 3.065
272 H SER 41 H SER 41 19.014 11.288 0.778
273 HA SER 41 HA SER 41 21.113 11.546 2.832
274 HB2 SER 41 1HB SER 41 19.837 9.282 2.446
275 HB3 SER 41 2HB SER 41 20.910 9.141 1.053
276 HG SER 41 HG SER 41 22.043 8.228 2.660
277 H GLY 42 H GLY 42 22.348 13.127 1.881
278 HA2 GLY 42 1HA GLY 42 24.445 12.710 0.344
279 HA3 GLY 42 2HA GLY 42 23.200 12.765 -0.895
280 HA PRO 43 HA PRO 43 24.852 17.068 0.169
281 HB2 PRO 43 1HB PRO 43 26.095 17.551 -2.196
282 HB3 PRO 43 2HB PRO 43 26.909 16.797 -0.819
283 HG2 PRO 43 1HG PRO 43 25.719 15.516 -3.249
284 HG3 PRO 43 2HG PRO 43 27.256 15.165 -2.438
285 HD2 PRO 43 1HD PRO 43 25.041 13.648 -2.082
286 HD3 PRO 43 2HD PRO 43 26.247 13.893 -0.802
287 H SER 44 H SER 44 22.833 15.514 -2.022
288 HA SER 44 HA SER 44 22.031 17.850 -3.516
289 HB2 SER 44 1HB SER 44 20.286 16.331 -4.450
290 HB3 SER 44 2HB SER 44 21.920 15.690 -4.617
291 HG SER 44 HG SER 44 21.106 14.002 -3.667
292 H SER 45 H SER 45 21.027 19.399 -2.388
293 HA SER 45 HA SER 45 18.859 18.601 -0.559
294 HB2 SER 45 1HB SER 45 20.809 20.875 -0.512
295 HB3 SER 45 2HB SER 45 19.232 21.077 0.250
296 HG SER 45 HG SER 45 21.360 19.873 1.238
297 H GLY 46 H GLY 46 16.844 19.493 -0.772
298 HA2 GLY 46 1HA GLY 46 16.181 21.762 -2.274
299 HA3 GLY 46 2HA GLY 46 16.043 20.364 -3.329
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -35.324 0.241 -13.746
2 HA2 GLY 1 1HA GLY 1 -34.384 0.102 -11.658
3 HA3 GLY 1 2HA GLY 1 -33.365 -1.163 -12.329
4 H SER 2 H SER 2 -32.939 1.218 -10.455
5 HA SER 2 HA SER 2 -30.366 1.965 -11.586
6 HB2 SER 2 1HB SER 2 -32.266 3.683 -12.186
7 HB3 SER 2 2HB SER 2 -32.044 4.205 -10.517
8 HG SER 2 HG SER 2 -29.727 4.320 -11.115
9 H SER 3 H SER 3 -28.961 1.516 -10.038
10 HA SER 3 HA SER 3 -29.406 2.507 -7.342
11 HB2 SER 3 1HB SER 3 -30.378 0.334 -7.100
12 HB3 SER 3 2HB SER 3 -29.053 -0.425 -7.982
13 HG SER 3 HG SER 3 -28.174 -0.674 -6.098
14 H GLY 4 H GLY 4 -27.518 2.857 -6.186
15 HA2 GLY 4 1HA GLY 4 -25.078 2.746 -7.808
16 HA3 GLY 4 2HA GLY 4 -25.329 3.752 -6.389
17 H SER 5 H SER 5 -23.580 3.140 -5.204
18 HA SER 5 HA SER 5 -22.332 1.886 -3.774
19 HB2 SER 5 1HB SER 5 -24.690 1.320 -2.938
20 HB3 SER 5 2HB SER 5 -24.516 -0.195 -3.824
21 HG SER 5 HG SER 5 -23.613 -0.812 -2.017
22 H SER 6 H SER 6 -21.664 1.655 -6.406
23 HA SER 6 HA SER 6 -21.421 -1.137 -7.122
24 HB2 SER 6 1HB SER 6 -20.154 -0.242 -9.086
25 HB3 SER 6 2HB SER 6 -21.770 0.445 -8.918
26 HG SER 6 HG SER 6 -20.849 2.318 -8.827
27 H GLY 7 H GLY 7 -20.248 -0.747 -4.680
28 HA2 GLY 7 1HA GLY 7 -17.444 -0.223 -4.876
29 HA3 GLY 7 2HA GLY 7 -18.276 -0.933 -3.501
30 H ALA 8 H ALA 8 -16.622 -1.569 -6.505
31 HA ALA 8 HA ALA 8 -16.825 -4.455 -6.118
32 HB1 ALA 8 3HB ALA 8 -16.219 -2.681 -8.366
33 HB2 ALA 8 1HB ALA 8 -15.209 -4.126 -8.289
34 HB3 ALA 8 2HB ALA 8 -16.966 -4.279 -8.347
35 H GLY 9 H GLY 9 -15.384 -2.992 -4.141
36 HA2 GLY 9 1HA GLY 9 -12.849 -4.407 -4.324
37 HA3 GLY 9 2HA GLY 9 -12.735 -2.656 -4.229
38 H GLU 10 H GLU 10 -12.511 -5.348 -2.433
39 HA GLU 10 HA GLU 10 -13.234 -3.900 0.017
40 HB2 GLU 10 1HB GLU 10 -14.153 -5.925 1.008
41 HB3 GLU 10 2HB GLU 10 -15.025 -5.516 -0.462
42 HG2 GLU 10 1HG GLU 10 -13.645 -7.191 -1.674
43 HG3 GLU 10 2HG GLU 10 -12.946 -7.663 -0.126
44 H LYS 11 H LYS 11 -10.695 -3.948 -0.992
45 HA LYS 11 HA LYS 11 -9.220 -6.081 0.324
46 HB2 LYS 11 1HB LYS 11 -8.084 -3.697 -1.135
47 HB3 LYS 11 2HB LYS 11 -7.279 -5.219 -0.774
48 HG2 LYS 11 1HG LYS 11 -9.736 -5.302 -2.438
49 HG3 LYS 11 2HG LYS 11 -8.250 -4.688 -3.167
50 HD2 LYS 11 1HD LYS 11 -8.010 -6.908 -3.643
51 HD3 LYS 11 2HD LYS 11 -7.240 -6.872 -2.055
52 HE2 LYS 11 1HE LYS 11 -8.681 -8.693 -1.915
53 HE3 LYS 11 2HE LYS 11 -9.590 -7.394 -1.143
54 HZ1 LYS 11 3HZ LYS 11 -10.034 -7.586 -3.978
55 HZ2 LYS 11 1HZ LYS 11 -11.152 -7.465 -2.714
56 HZ3 LYS 11 2HZ LYS 11 -10.510 -8.973 -3.133
57 HA PRO 12 HA PRO 12 -8.445 -3.846 4.036
58 HB2 PRO 12 1HB PRO 12 -6.161 -5.086 4.820
59 HB3 PRO 12 2HB PRO 12 -7.752 -5.849 4.921
60 HG2 PRO 12 1HG PRO 12 -5.621 -6.180 2.845
61 HG3 PRO 12 2HG PRO 12 -6.633 -7.415 3.615
62 HD2 PRO 12 1HD PRO 12 -7.150 -6.443 1.141
63 HD3 PRO 12 2HD PRO 12 -8.434 -6.972 2.247
64 H TYR 13 H TYR 13 -5.599 -4.375 1.955
65 HA TYR 13 HA TYR 13 -4.250 -2.051 2.975
66 HB2 TYR 13 1HB TYR 13 -3.521 -3.549 0.464
67 HB3 TYR 13 2HB TYR 13 -2.464 -2.635 1.534
68 HD1 TYR 13 HD2 TYR 13 -2.044 -3.550 3.870
69 HD2 TYR 13 HD1 TYR 13 -3.849 -5.852 0.781
70 HE1 TYR 13 HE2 TYR 13 -1.487 -5.611 5.090
71 HE2 TYR 13 HE1 TYR 13 -3.298 -7.921 1.993
72 HH TYR 13 HH TYR 13 -1.217 -8.396 3.971
73 H GLY 14 H GLY 14 -4.877 -0.065 2.453
74 HA2 GLY 14 1HA GLY 14 -5.407 0.534 -0.371
75 HA3 GLY 14 2HA GLY 14 -6.619 0.983 0.820
76 H CYS 15 H CYS 15 -4.245 2.218 -0.992
77 HA CYS 15 HA CYS 15 -2.695 3.772 0.754
78 HB2 CYS 15 1HB CYS 15 -2.090 3.479 -1.588
79 HB3 CYS 15 2HB CYS 15 -3.542 4.336 -2.095
80 H SER 16 H SER 16 -2.860 5.936 1.405
81 HA SER 16 HA SER 16 -5.609 6.999 1.382
82 HB2 SER 16 1HB SER 16 -3.458 7.103 3.491
83 HB3 SER 16 2HB SER 16 -4.827 8.215 3.506
84 HG SER 16 HG SER 16 -5.784 6.645 4.526
85 H GLU 17 H GLU 17 -2.194 7.775 1.079
86 HA GLU 17 HA GLU 17 -2.180 10.501 0.965
87 HB2 GLU 17 1HB GLU 17 -0.657 8.456 -0.626
88 HB3 GLU 17 2HB GLU 17 -0.390 10.176 -0.875
89 HG2 GLU 17 1HG GLU 17 0.071 8.583 1.627
90 HG3 GLU 17 2HG GLU 17 1.263 9.422 0.636
91 H CYS 18 H CYS 18 -2.745 8.363 -1.834
92 HA CYS 18 HA CYS 18 -4.009 10.635 -3.212
93 HB2 CYS 18 1HB CYS 18 -3.475 9.591 -5.283
94 HB3 CYS 18 2HB CYS 18 -2.027 9.481 -4.288
95 H GLY 19 H GLY 19 -4.434 7.264 -2.284
96 HA2 GLY 19 1HA GLY 19 -6.624 6.503 -1.611
97 HA3 GLY 19 2HA GLY 19 -7.316 7.578 -2.817
98 H LYS 20 H LYS 20 -5.466 4.609 -2.367
99 HA LYS 20 HA LYS 20 -6.684 3.554 -4.808
100 HB2 LYS 20 1HB LYS 20 -3.765 3.889 -4.297
101 HB3 LYS 20 2HB LYS 20 -4.296 2.440 -5.140
102 HG2 LYS 20 1HG LYS 20 -5.568 4.069 -6.679
103 HG3 LYS 20 2HG LYS 20 -4.505 5.300 -5.992
104 HD2 LYS 20 1HD LYS 20 -2.598 3.673 -6.609
105 HD3 LYS 20 2HD LYS 20 -3.797 2.902 -7.650
106 HE2 LYS 20 1HE LYS 20 -3.110 5.835 -7.746
107 HE3 LYS 20 2HE LYS 20 -2.374 4.617 -8.786
108 HZ1 LYS 20 3HZ LYS 20 -4.267 4.363 -9.987
109 HZ2 LYS 20 1HZ LYS 20 -4.486 5.976 -9.525
110 HZ3 LYS 20 2HZ LYS 20 -5.293 4.742 -8.697
111 H ALA 21 H ALA 21 -5.809 1.101 -4.974
112 HA ALA 21 HA ALA 21 -5.622 -0.153 -2.363
113 HB1 ALA 21 3HB ALA 21 -7.584 -1.657 -2.899
114 HB2 ALA 21 1HB ALA 21 -7.976 0.004 -2.452
115 HB3 ALA 21 2HB ALA 21 -8.021 -0.489 -4.145
116 H PHE 22 H PHE 22 -5.523 -2.604 -2.623
117 HA PHE 22 HA PHE 22 -4.672 -3.565 -5.210
118 HB2 PHE 22 1HB PHE 22 -2.692 -3.582 -2.924
119 HB3 PHE 22 2HB PHE 22 -2.428 -4.185 -4.557
120 HD1 PHE 22 HD1 PHE 22 -3.033 -1.117 -2.582
121 HD2 PHE 22 HD2 PHE 22 -1.676 -2.766 -6.264
122 HE1 PHE 22 HE1 PHE 22 -2.179 1.092 -3.252
123 HE2 PHE 22 HE2 PHE 22 -0.819 -0.561 -6.939
124 HZ PHE 22 HZ PHE 22 -1.069 1.371 -5.433
125 H SER 23 H SER 23 -3.698 -5.912 -4.834
126 HA SER 23 HA SER 23 -5.738 -7.320 -3.311
127 HB2 SER 23 1HB SER 23 -3.842 -8.034 -5.498
128 HB3 SER 23 2HB SER 23 -4.386 -9.327 -4.430
129 HG SER 23 HG SER 23 -5.667 -8.388 -6.477
130 H SER 24 H SER 24 -2.198 -7.165 -3.508
131 HA SER 24 HA SER 24 -2.076 -8.464 -0.865
132 HB2 SER 24 1HB SER 24 0.105 -8.415 -2.962
133 HB3 SER 24 2HB SER 24 0.106 -9.325 -1.452
134 HG SER 24 HG SER 24 -0.495 -10.692 -3.120
135 H LYS 25 H LYS 25 -0.090 -7.830 0.406
136 HA LYS 25 HA LYS 25 -0.092 -5.022 0.791
137 HB2 LYS 25 1HB LYS 25 0.277 -6.586 2.636
138 HB3 LYS 25 2HB LYS 25 1.771 -7.136 1.889
139 HG2 LYS 25 1HG LYS 25 2.670 -4.833 2.124
140 HG3 LYS 25 2HG LYS 25 1.206 -4.401 3.012
141 HD2 LYS 25 1HD LYS 25 1.888 -6.538 4.428
142 HD3 LYS 25 2HD LYS 25 3.493 -6.119 3.824
143 HE2 LYS 25 1HE LYS 25 3.432 -3.995 4.841
144 HE3 LYS 25 2HE LYS 25 1.695 -4.093 5.125
145 HZ1 LYS 25 3HZ LYS 25 3.312 -4.506 7.068
146 HZ2 LYS 25 1HZ LYS 25 3.508 -6.041 6.385
147 HZ3 LYS 25 2HZ LYS 25 1.977 -5.529 6.888
148 H SER 26 H SER 26 2.514 -7.224 -0.256
149 HA SER 26 HA SER 26 4.554 -5.549 -0.751
150 HB2 SER 26 1HB SER 26 3.547 -7.840 -2.432
151 HB3 SER 26 2HB SER 26 5.033 -6.979 -2.834
152 HG SER 26 HG SER 26 5.979 -7.732 -1.040
153 H TYR 27 H TYR 27 1.879 -6.096 -3.036
154 HA TYR 27 HA TYR 27 2.658 -4.395 -5.061
155 HB2 TYR 27 1HB TYR 27 -0.059 -5.186 -4.042
156 HB3 TYR 27 2HB TYR 27 0.115 -4.088 -5.407
157 HD1 TYR 27 HD2 TYR 27 2.249 -5.154 -6.982
158 HD2 TYR 27 HD1 TYR 27 -0.735 -7.258 -4.798
159 HE1 TYR 27 HE2 TYR 27 2.501 -7.073 -8.499
160 HE2 TYR 27 HE1 TYR 27 -0.491 -9.184 -6.308
161 HH TYR 27 HH TYR 27 0.803 -9.097 -9.204
162 H LEU 28 H LEU 28 0.902 -3.615 -2.089
163 HA LEU 28 HA LEU 28 0.362 -0.924 -2.660
164 HB2 LEU 28 1HB LEU 28 -0.742 -2.049 -0.849
165 HB3 LEU 28 2HB LEU 28 0.794 -2.337 -0.035
166 HG LEU 28 HG LEU 28 1.018 0.101 0.323
167 HD11 LEU 28 1HD1 LEU 28 -1.844 0.484 -0.371
168 HD12 LEU 28 2HD1 LEU 28 -0.660 0.488 -1.677
169 HD13 LEU 28 3HD1 LEU 28 -0.517 1.644 -0.353
170 HD21 LEU 28 3HD2 LEU 28 -1.643 -0.708 1.412
171 HD22 LEU 28 1HD2 LEU 28 -0.311 0.130 2.207
172 HD23 LEU 28 2HD2 LEU 28 -0.194 -1.599 1.878
173 H ILE 29 H ILE 29 3.125 -2.443 -1.037
174 HA ILE 29 HA ILE 29 4.495 -0.153 -0.265
175 HB ILE 29 HB ILE 29 5.629 -2.799 -1.178
176 HG12 ILE 29 1HG1 ILE 29 5.245 -1.765 1.633
177 HG13 ILE 29 2HG1 ILE 29 4.047 -2.756 0.807
178 HG21 ILE 29 1HG2 ILE 29 6.906 -0.328 -0.182
179 HG22 ILE 29 2HG2 ILE 29 7.486 -1.847 0.500
180 HG23 ILE 29 3HG2 ILE 29 7.539 -1.587 -1.243
181 HD11 ILE 29 3HD1 ILE 29 5.693 -3.900 2.393
182 HD12 ILE 29 1HD1 ILE 29 5.420 -4.629 0.811
183 HD13 ILE 29 2HD1 ILE 29 6.876 -3.678 1.104
184 H ILE 30 H ILE 30 4.613 -1.910 -3.344
185 HA ILE 30 HA ILE 30 6.629 -0.401 -4.567
186 HB ILE 30 HB ILE 30 4.277 -1.713 -5.933
187 HG12 ILE 30 1HG1 ILE 30 7.006 -2.913 -5.479
188 HG13 ILE 30 2HG1 ILE 30 5.678 -3.156 -4.350
189 HG21 ILE 30 1HG2 ILE 30 5.671 -1.788 -7.890
190 HG22 ILE 30 2HG2 ILE 30 5.592 -0.125 -7.311
191 HG23 ILE 30 3HG2 ILE 30 7.028 -1.100 -6.999
192 HD11 ILE 30 3HD1 ILE 30 6.253 -4.777 -6.437
193 HD12 ILE 30 1HD1 ILE 30 4.668 -4.644 -5.675
194 HD13 ILE 30 2HD1 ILE 30 5.020 -3.731 -7.143
195 H HIS 31 H HIS 31 3.324 0.341 -3.916
196 HA HIS 31 HA HIS 31 3.281 2.557 -5.810
197 HB2 HIS 31 1HB HIS 31 1.234 1.337 -5.713
198 HB3 HIS 31 2HB HIS 31 1.203 1.398 -3.953
199 HD1 HIS 31 HD1 HIS 31 0.836 3.701 -6.939
200 HD2 HIS 31 HD2 HIS 31 -0.156 3.521 -2.908
201 HE1 HIS 31 HE1 HIS 31 -0.648 5.687 -6.523
202 H MET 32 H MET 32 3.326 1.961 -2.335
203 HA MET 32 HA MET 32 3.165 4.755 -1.665
204 HB2 MET 32 1HB MET 32 3.723 2.274 -0.043
205 HB3 MET 32 2HB MET 32 3.740 3.888 0.655
206 HG2 MET 32 1HG MET 32 1.398 2.550 -0.679
207 HG3 MET 32 2HG MET 32 1.618 2.796 1.052
208 HE1 MET 32 3HE MET 32 0.236 4.917 2.186
209 HE2 MET 32 1HE MET 32 1.994 5.036 2.104
210 HE3 MET 32 2HE MET 32 0.997 6.430 1.690
211 H ARG 33 H ARG 33 5.623 2.660 -2.674
212 HA ARG 33 HA ARG 33 7.875 3.381 -1.294
213 HB2 ARG 33 1HB ARG 33 9.152 2.774 -3.220
214 HB3 ARG 33 2HB ARG 33 7.735 1.734 -3.183
215 HG2 ARG 33 1HG ARG 33 6.660 3.127 -4.873
216 HG3 ARG 33 2HG ARG 33 8.075 4.181 -4.905
217 HD2 ARG 33 1HD ARG 33 9.446 2.223 -5.582
218 HD3 ARG 33 2HD ARG 33 7.967 1.266 -5.671
219 HE ARG 33 HE ARG 33 7.384 3.295 -7.304
220 HH11 ARG 33 1HH1 ARG 33 10.227 1.302 -7.052
221 HH12 ARG 33 2HH1 ARG 33 10.622 1.426 -8.734
222 HH21 ARG 33 1HH2 ARG 33 7.893 3.466 -9.520
223 HH22 ARG 33 2HH2 ARG 33 9.295 2.658 -10.137
224 H THR 34 H THR 34 6.229 5.195 -3.832
225 HA THR 34 HA THR 34 8.207 7.312 -3.783
226 HB THR 34 HB THR 34 7.126 6.726 -5.910
227 HG1 THR 34 HG1 THR 34 7.677 9.043 -5.132
228 HG21 THR 34 3HG2 THR 34 4.582 7.960 -4.910
229 HG22 THR 34 1HG2 THR 34 4.883 6.234 -4.717
230 HG23 THR 34 2HG2 THR 34 4.843 6.947 -6.329
231 H HIS 35 H HIS 35 4.847 6.831 -2.772
232 HA HIS 35 HA HIS 35 4.159 9.371 -1.984
233 HB2 HIS 35 1HB HIS 35 3.437 6.654 -0.953
234 HB3 HIS 35 2HB HIS 35 2.873 8.081 -0.088
235 HD1 HIS 35 HD1 HIS 35 1.942 9.928 -2.206
236 HD2 HIS 35 HD2 HIS 35 1.378 5.821 -2.479
237 HE1 HIS 35 HE1 HIS 35 0.020 9.618 -3.798
238 H SER 36 H SER 36 6.121 7.009 -0.245
239 HA SER 36 HA SER 36 7.260 9.134 1.362
240 HB2 SER 36 1HB SER 36 5.140 8.141 2.525
241 HB3 SER 36 2HB SER 36 6.194 6.771 2.876
242 HG SER 36 HG SER 36 6.677 9.480 3.578
243 H GLY 37 H GLY 37 9.340 8.729 1.927
244 HA2 GLY 37 1HA GLY 37 10.391 6.050 2.059
245 HA3 GLY 37 2HA GLY 37 10.904 6.924 0.623
246 H GLU 38 H GLU 38 13.067 6.606 1.525
247 HA GLU 38 HA GLU 38 13.790 7.961 3.946
248 HB2 GLU 38 1HB GLU 38 14.989 5.956 3.097
249 HB3 GLU 38 2HB GLU 38 15.576 6.914 1.745
250 HG2 GLU 38 1HG GLU 38 16.530 8.474 3.571
251 HG3 GLU 38 2HG GLU 38 16.306 7.087 4.635
252 H LYS 39 H LYS 39 14.376 10.016 4.210
253 HA LYS 39 HA LYS 39 15.109 11.589 1.833
254 HB2 LYS 39 1HB LYS 39 12.724 11.940 2.818
255 HB3 LYS 39 2HB LYS 39 13.562 12.804 4.100
256 HG2 LYS 39 1HG LYS 39 14.410 14.415 2.575
257 HG3 LYS 39 2HG LYS 39 13.877 13.468 1.184
258 HD2 LYS 39 1HD LYS 39 11.852 14.342 3.191
259 HD3 LYS 39 2HD LYS 39 12.480 15.528 2.043
260 HE2 LYS 39 1HE LYS 39 11.389 12.859 1.185
261 HE3 LYS 39 2HE LYS 39 10.368 14.284 1.370
262 HZ1 LYS 39 3HZ LYS 39 11.258 13.833 -0.928
263 HZ2 LYS 39 1HZ LYS 39 12.782 14.279 -0.344
264 HZ3 LYS 39 2HZ LYS 39 11.512 15.396 -0.334
265 HA PRO 40 HA PRO 40 18.425 11.967 5.016
266 HB2 PRO 40 1HB PRO 40 20.454 11.941 3.213
267 HB3 PRO 40 2HB PRO 40 19.731 10.467 3.866
268 HG2 PRO 40 1HG PRO 40 19.221 11.828 1.249
269 HG3 PRO 40 2HG PRO 40 19.416 10.099 1.592
270 HD2 PRO 40 1HD PRO 40 16.990 11.251 1.244
271 HD3 PRO 40 2HD PRO 40 17.246 9.873 2.334
272 H SER 41 H SER 41 17.127 13.856 2.585
273 HA SER 41 HA SER 41 19.052 15.941 2.429
274 HB2 SER 41 1HB SER 41 16.073 16.112 1.915
275 HB3 SER 41 2HB SER 41 17.308 17.226 1.328
276 HG SER 41 HG SER 41 17.936 15.793 -0.134
277 H GLY 42 H GLY 42 15.990 15.635 4.230
278 HA2 GLY 42 1HA GLY 42 16.719 17.994 5.810
279 HA3 GLY 42 2HA GLY 42 15.139 17.227 5.769
280 HA PRO 43 HA PRO 43 18.022 15.678 9.310
281 HB2 PRO 43 1HB PRO 43 17.521 17.503 11.255
282 HB3 PRO 43 2HB PRO 43 18.867 17.655 10.120
283 HG2 PRO 43 1HG PRO 43 16.182 18.977 10.062
284 HG3 PRO 43 2HG PRO 43 17.779 19.673 9.731
285 HD2 PRO 43 1HD PRO 43 16.075 18.934 7.761
286 HD3 PRO 43 2HD PRO 43 17.839 18.834 7.585
287 H SER 44 H SER 44 17.240 14.926 11.456
288 HA SER 44 HA SER 44 14.303 14.672 11.484
289 HB2 SER 44 1HB SER 44 15.506 12.566 10.879
290 HB3 SER 44 2HB SER 44 16.302 12.615 12.452
291 HG SER 44 HG SER 44 13.525 12.807 12.425
292 H SER 45 H SER 45 14.149 16.493 12.877
293 HA SER 45 HA SER 45 15.507 16.623 15.372
294 HB2 SER 45 1HB SER 45 14.624 18.633 14.269
295 HB3 SER 45 2HB SER 45 12.980 18.028 14.469
296 HG SER 45 HG SER 45 13.493 19.483 16.125
297 H GLY 46 H GLY 46 12.173 15.745 14.478
298 HA2 GLY 46 1HA GLY 46 11.813 14.635 17.181
299 HA3 GLY 46 2HA GLY 46 10.514 15.080 16.084
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -29.527 -4.782 6.160
2 HA2 GLY 1 1HA GLY 1 -29.704 -7.558 7.058
3 HA3 GLY 1 2HA GLY 1 -30.490 -7.161 5.537
4 H SER 2 H SER 2 -28.779 -8.980 5.101
5 HA SER 2 HA SER 2 -26.170 -7.779 4.502
6 HB2 SER 2 1HB SER 2 -25.373 -10.082 4.209
7 HB3 SER 2 2HB SER 2 -26.144 -9.884 5.783
8 HG SER 2 HG SER 2 -27.052 -11.691 5.018
9 H SER 3 H SER 3 -25.604 -7.287 2.486
10 HA SER 3 HA SER 3 -27.472 -7.739 0.336
11 HB2 SER 3 1HB SER 3 -24.767 -6.378 0.367
12 HB3 SER 3 2HB SER 3 -25.873 -6.395 -1.007
13 HG SER 3 HG SER 3 -26.460 -5.333 1.560
14 H GLY 4 H GLY 4 -27.424 -9.349 -1.088
15 HA2 GLY 4 1HA GLY 4 -25.054 -11.093 -1.118
16 HA3 GLY 4 2HA GLY 4 -26.678 -11.574 -1.588
17 H SER 5 H SER 5 -23.672 -10.379 -2.646
18 HA SER 5 HA SER 5 -24.439 -10.653 -5.395
19 HB2 SER 5 1HB SER 5 -23.722 -8.314 -6.016
20 HB3 SER 5 2HB SER 5 -25.250 -8.410 -5.141
21 HG SER 5 HG SER 5 -23.769 -6.770 -4.370
22 H SER 6 H SER 6 -22.480 -9.811 -6.813
23 HA SER 6 HA SER 6 -20.183 -11.244 -5.841
24 HB2 SER 6 1HB SER 6 -20.782 -11.477 -8.175
25 HB3 SER 6 2HB SER 6 -20.673 -9.734 -8.418
26 HG SER 6 HG SER 6 -18.452 -11.182 -7.476
27 H GLY 7 H GLY 7 -19.553 -9.951 -4.048
28 HA2 GLY 7 1HA GLY 7 -17.784 -7.774 -4.823
29 HA3 GLY 7 2HA GLY 7 -19.095 -7.342 -3.735
30 H ALA 8 H ALA 8 -15.969 -7.818 -3.672
31 HA ALA 8 HA ALA 8 -15.555 -9.764 -1.654
32 HB1 ALA 8 3HB ALA 8 -13.558 -7.686 -1.618
33 HB2 ALA 8 1HB ALA 8 -13.415 -9.376 -2.104
34 HB3 ALA 8 2HB ALA 8 -13.944 -8.163 -3.271
35 H GLY 9 H GLY 9 -15.902 -6.228 -1.551
36 HA2 GLY 9 1HA GLY 9 -17.285 -5.467 0.404
37 HA3 GLY 9 2HA GLY 9 -16.199 -6.444 1.381
38 H GLU 10 H GLU 10 -14.145 -5.693 1.860
39 HA GLU 10 HA GLU 10 -13.353 -3.087 0.806
40 HB2 GLU 10 1HB GLU 10 -12.865 -2.269 3.114
41 HB3 GLU 10 2HB GLU 10 -14.578 -2.462 2.772
42 HG2 GLU 10 1HG GLU 10 -14.295 -4.785 3.863
43 HG3 GLU 10 2HG GLU 10 -12.808 -4.109 4.527
44 H LYS 11 H LYS 11 -11.413 -3.509 -0.015
45 HA LYS 11 HA LYS 11 -9.726 -5.608 0.741
46 HB2 LYS 11 1HB LYS 11 -8.108 -4.664 -0.718
47 HB3 LYS 11 2HB LYS 11 -9.677 -4.302 -1.425
48 HG2 LYS 11 1HG LYS 11 -8.461 -2.281 0.378
49 HG3 LYS 11 2HG LYS 11 -7.779 -2.482 -1.238
50 HD2 LYS 11 1HD LYS 11 -10.651 -1.855 -0.556
51 HD3 LYS 11 2HD LYS 11 -9.473 -0.754 -1.275
52 HE2 LYS 11 1HE LYS 11 -9.303 -2.605 -3.111
53 HE3 LYS 11 2HE LYS 11 -10.879 -3.094 -2.489
54 HZ1 LYS 11 3HZ LYS 11 -11.720 -1.547 -3.819
55 HZ2 LYS 11 1HZ LYS 11 -10.201 -0.879 -4.153
56 HZ3 LYS 11 2HZ LYS 11 -11.062 -0.381 -2.785
57 HA PRO 12 HA PRO 12 -7.717 -4.183 4.383
58 HB2 PRO 12 1HB PRO 12 -5.362 -5.517 4.168
59 HB3 PRO 12 2HB PRO 12 -6.883 -6.314 4.588
60 HG2 PRO 12 1HG PRO 12 -5.490 -6.165 1.943
61 HG3 PRO 12 2HG PRO 12 -6.281 -7.552 2.714
62 HD2 PRO 12 1HD PRO 12 -7.470 -6.095 0.766
63 HD3 PRO 12 2HD PRO 12 -8.387 -6.867 2.076
64 H TYR 13 H TYR 13 -5.820 -4.097 1.384
65 HA TYR 13 HA TYR 13 -4.204 -1.905 2.448
66 HB2 TYR 13 1HB TYR 13 -3.833 -3.020 -0.303
67 HB3 TYR 13 2HB TYR 13 -2.632 -2.380 0.813
68 HD1 TYR 13 HD2 TYR 13 -1.864 -3.775 2.726
69 HD2 TYR 13 HD1 TYR 13 -4.403 -5.332 -0.312
70 HE1 TYR 13 HE2 TYR 13 -1.289 -6.062 3.426
71 HE2 TYR 13 HE1 TYR 13 -3.836 -7.623 0.380
72 HH TYR 13 HH TYR 13 -1.858 -8.245 3.228
73 H GLY 14 H GLY 14 -4.969 0.083 2.194
74 HA2 GLY 14 1HA GLY 14 -6.058 0.840 -0.425
75 HA3 GLY 14 2HA GLY 14 -7.023 1.162 1.007
76 H CYS 15 H CYS 15 -4.002 1.915 -0.637
77 HA CYS 15 HA CYS 15 -2.713 3.664 0.911
78 HB2 CYS 15 1HB CYS 15 -1.911 3.379 -1.295
79 HB3 CYS 15 2HB CYS 15 -3.422 3.941 -2.003
80 H SER 16 H SER 16 -3.244 5.325 2.151
81 HA SER 16 HA SER 16 -5.722 6.787 1.578
82 HB2 SER 16 1HB SER 16 -5.530 5.771 3.816
83 HB3 SER 16 2HB SER 16 -4.065 6.707 4.112
84 HG SER 16 HG SER 16 -6.731 7.547 3.996
85 H GLU 17 H GLU 17 -3.543 7.392 -0.043
86 HA GLU 17 HA GLU 17 -2.862 10.103 0.890
87 HB2 GLU 17 1HB GLU 17 -1.151 7.997 -0.334
88 HB3 GLU 17 2HB GLU 17 -0.847 9.665 -0.801
89 HG2 GLU 17 1HG GLU 17 0.596 9.089 1.015
90 HG3 GLU 17 2HG GLU 17 -0.602 10.250 1.585
91 H CYS 18 H CYS 18 -2.937 8.131 -2.084
92 HA CYS 18 HA CYS 18 -3.873 10.495 -3.550
93 HB2 CYS 18 1HB CYS 18 -3.119 9.425 -5.553
94 HB3 CYS 18 2HB CYS 18 -1.838 9.251 -4.358
95 H GLY 19 H GLY 19 -4.586 7.046 -3.083
96 HA2 GLY 19 1HA GLY 19 -7.019 6.609 -2.670
97 HA3 GLY 19 2HA GLY 19 -7.307 7.578 -4.107
98 H LYS 20 H LYS 20 -4.893 5.048 -3.490
99 HA LYS 20 HA LYS 20 -6.096 3.500 -5.692
100 HB2 LYS 20 1HB LYS 20 -3.219 4.112 -5.089
101 HB3 LYS 20 2HB LYS 20 -3.651 2.659 -5.981
102 HG2 LYS 20 1HG LYS 20 -4.377 3.833 -7.816
103 HG3 LYS 20 2HG LYS 20 -4.726 5.288 -6.880
104 HD2 LYS 20 1HD LYS 20 -2.814 5.966 -7.928
105 HD3 LYS 20 2HD LYS 20 -2.107 5.223 -6.492
106 HE2 LYS 20 1HE LYS 20 -1.866 3.110 -7.799
107 HE3 LYS 20 2HE LYS 20 -2.399 3.993 -9.229
108 HZ1 LYS 20 3HZ LYS 20 0.173 3.915 -8.022
109 HZ2 LYS 20 1HZ LYS 20 -0.380 5.509 -8.145
110 HZ3 LYS 20 2HZ LYS 20 -0.284 4.538 -9.527
111 H ALA 21 H ALA 21 -5.400 1.150 -5.631
112 HA ALA 21 HA ALA 21 -4.868 0.133 -2.951
113 HB1 ALA 21 3HB ALA 21 -7.482 0.343 -3.849
114 HB2 ALA 21 1HB ALA 21 -7.061 -1.347 -4.124
115 HB3 ALA 21 2HB ALA 21 -6.904 -0.650 -2.511
116 H PHE 22 H PHE 22 -4.930 -2.410 -3.094
117 HA PHE 22 HA PHE 22 -4.172 -3.507 -5.641
118 HB2 PHE 22 1HB PHE 22 -2.070 -3.417 -3.470
119 HB3 PHE 22 2HB PHE 22 -1.898 -4.094 -5.086
120 HD1 PHE 22 HD2 PHE 22 -1.677 -2.641 -7.028
121 HD2 PHE 22 HD1 PHE 22 -1.948 -1.053 -3.088
122 HE1 PHE 22 HE2 PHE 22 -0.855 -0.473 -7.849
123 HE2 PHE 22 HE1 PHE 22 -1.128 1.119 -3.904
124 HZ PHE 22 HZ PHE 22 -0.579 1.411 -6.287
125 H SER 23 H SER 23 -4.101 -5.768 -5.645
126 HA SER 23 HA SER 23 -5.422 -6.985 -3.349
127 HB2 SER 23 1HB SER 23 -6.272 -7.333 -5.688
128 HB3 SER 23 2HB SER 23 -4.798 -8.237 -6.032
129 HG SER 23 HG SER 23 -6.442 -8.920 -3.846
130 H SER 24 H SER 24 -2.717 -6.271 -2.967
131 HA SER 24 HA SER 24 -1.686 -8.682 -1.921
132 HB2 SER 24 1HB SER 24 0.439 -8.659 -3.366
133 HB3 SER 24 2HB SER 24 -1.020 -9.334 -4.091
134 HG SER 24 HG SER 24 -0.286 -7.964 -5.604
135 H LYS 25 H LYS 25 -0.608 -8.088 -0.169
136 HA LYS 25 HA LYS 25 -0.100 -5.525 0.641
137 HB2 LYS 25 1HB LYS 25 0.006 -7.398 2.177
138 HB3 LYS 25 2HB LYS 25 1.424 -8.036 1.356
139 HG2 LYS 25 1HG LYS 25 2.547 -5.820 1.984
140 HG3 LYS 25 2HG LYS 25 1.199 -5.615 3.105
141 HD2 LYS 25 1HD LYS 25 2.917 -6.627 4.363
142 HD3 LYS 25 2HD LYS 25 1.780 -7.926 3.990
143 HE2 LYS 25 1HE LYS 25 4.044 -7.441 2.121
144 HE3 LYS 25 2HE LYS 25 4.386 -8.224 3.663
145 HZ1 LYS 25 3HZ LYS 25 2.220 -9.570 2.788
146 HZ2 LYS 25 1HZ LYS 25 3.820 -10.082 2.590
147 HZ3 LYS 25 2HZ LYS 25 3.036 -9.258 1.339
148 H SER 26 H SER 26 2.177 -7.715 -0.987
149 HA SER 26 HA SER 26 4.451 -6.183 -0.980
150 HB2 SER 26 1HB SER 26 3.444 -7.842 -3.304
151 HB3 SER 26 2HB SER 26 5.116 -7.357 -3.023
152 HG SER 26 HG SER 26 3.818 -8.706 -0.963
153 H TYR 27 H TYR 27 2.018 -6.183 -3.591
154 HA TYR 27 HA TYR 27 2.997 -4.197 -5.178
155 HB2 TYR 27 1HB TYR 27 0.765 -5.618 -5.277
156 HB3 TYR 27 2HB TYR 27 0.066 -4.148 -4.605
157 HD1 TYR 27 HD2 TYR 27 1.534 -2.032 -5.963
158 HD2 TYR 27 HD1 TYR 27 0.088 -5.731 -7.491
159 HE1 TYR 27 HE2 TYR 27 1.423 -1.052 -8.216
160 HE2 TYR 27 HE1 TYR 27 -0.026 -4.760 -9.749
161 HH TYR 27 HH TYR 27 0.000 -2.794 -10.911
162 H LEU 28 H LEU 28 0.631 -3.640 -2.564
163 HA LEU 28 HA LEU 28 0.454 -0.934 -2.588
164 HB2 LEU 28 1HB LEU 28 -0.807 -2.288 -1.044
165 HB3 LEU 28 2HB LEU 28 0.662 -2.731 -0.178
166 HG LEU 28 HG LEU 28 0.899 -0.301 0.441
167 HD11 LEU 28 1HD1 LEU 28 -0.822 1.218 0.108
168 HD12 LEU 28 2HD1 LEU 28 -1.997 -0.041 -0.271
169 HD13 LEU 28 3HD1 LEU 28 -0.737 0.369 -1.436
170 HD21 LEU 28 3HD2 LEU 28 -0.674 -2.344 1.550
171 HD22 LEU 28 1HD2 LEU 28 -1.617 -0.861 1.695
172 HD23 LEU 28 2HD2 LEU 28 0.010 -0.941 2.371
173 H ILE 29 H ILE 29 2.956 -2.785 -0.858
174 HA ILE 29 HA ILE 29 4.383 -0.729 0.272
175 HB ILE 29 HB ILE 29 5.556 -3.210 -0.989
176 HG12 ILE 29 1HG1 ILE 29 4.709 -2.741 1.875
177 HG13 ILE 29 2HG1 ILE 29 3.735 -3.603 0.689
178 HG21 ILE 29 1HG2 ILE 29 7.307 -2.842 0.815
179 HG22 ILE 29 2HG2 ILE 29 7.343 -1.743 -0.563
180 HG23 ILE 29 3HG2 ILE 29 6.650 -1.213 0.970
181 HD11 ILE 29 3HD1 ILE 29 4.774 -5.311 1.825
182 HD12 ILE 29 1HD1 ILE 29 5.831 -5.098 0.429
183 HD13 ILE 29 2HD1 ILE 29 6.287 -4.422 1.993
184 H ILE 30 H ILE 30 5.098 -2.202 -2.900
185 HA ILE 30 HA ILE 30 7.106 -0.533 -3.734
186 HB ILE 30 HB ILE 30 4.898 -1.644 -5.470
187 HG12 ILE 30 1HG1 ILE 30 7.608 -2.878 -5.218
188 HG13 ILE 30 2HG1 ILE 30 6.436 -3.159 -3.935
189 HG21 ILE 30 1HG2 ILE 30 6.117 0.075 -6.638
190 HG22 ILE 30 2HG2 ILE 30 7.655 -0.643 -6.164
191 HG23 ILE 30 3HG2 ILE 30 6.587 -1.501 -7.274
192 HD11 ILE 30 3HD1 ILE 30 6.684 -4.495 -6.395
193 HD12 ILE 30 1HD1 ILE 30 5.468 -4.733 -5.140
194 HD13 ILE 30 2HD1 ILE 30 5.172 -3.589 -6.449
195 H HIS 31 H HIS 31 3.624 0.038 -3.872
196 HA HIS 31 HA HIS 31 3.799 2.475 -5.331
197 HB2 HIS 31 1HB HIS 31 1.717 1.330 -5.398
198 HB3 HIS 31 2HB HIS 31 1.626 1.240 -3.642
199 HD1 HIS 31 HD1 HIS 31 1.216 3.671 -6.486
200 HD2 HIS 31 HD2 HIS 31 0.489 3.432 -2.402
201 HE1 HIS 31 HE1 HIS 31 -0.182 5.687 -5.933
202 H MET 32 H MET 32 3.510 1.697 -1.884
203 HA MET 32 HA MET 32 3.182 4.218 -0.825
204 HB2 MET 32 1HB MET 32 4.436 1.703 0.150
205 HB3 MET 32 2HB MET 32 4.749 3.170 1.068
206 HG2 MET 32 1HG MET 32 1.941 2.534 0.339
207 HG3 MET 32 2HG MET 32 2.713 1.600 1.617
208 HE1 MET 32 3HE MET 32 0.482 5.207 1.782
209 HE2 MET 32 1HE MET 32 1.940 5.870 1.044
210 HE3 MET 32 2HE MET 32 1.144 4.472 0.321
211 H ARG 33 H ARG 33 5.994 2.838 -2.307
212 HA ARG 33 HA ARG 33 8.023 4.407 -1.234
213 HB2 ARG 33 1HB ARG 33 7.706 3.302 -4.028
214 HB3 ARG 33 2HB ARG 33 9.190 4.023 -3.420
215 HG2 ARG 33 1HG ARG 33 9.240 2.296 -1.642
216 HG3 ARG 33 2HG ARG 33 7.834 1.540 -2.394
217 HD2 ARG 33 1HD ARG 33 9.907 0.443 -3.078
218 HD3 ARG 33 2HD ARG 33 9.100 1.204 -4.449
219 HE ARG 33 HE ARG 33 11.646 1.944 -3.288
220 HH11 ARG 33 1HH1 ARG 33 9.003 2.869 -5.357
221 HH12 ARG 33 2HH1 ARG 33 9.925 4.050 -6.227
222 HH21 ARG 33 1HH2 ARG 33 12.871 3.496 -4.426
223 HH22 ARG 33 2HH2 ARG 33 12.126 4.405 -5.697
224 H THR 34 H THR 34 5.675 5.139 -3.744
225 HA THR 34 HA THR 34 6.867 7.545 -4.645
226 HB THR 34 HB THR 34 4.694 8.046 -5.667
227 HG1 THR 34 HG1 THR 34 3.854 6.089 -3.852
228 HG21 THR 34 3HG2 THR 34 6.031 5.433 -5.959
229 HG22 THR 34 1HG2 THR 34 5.698 6.676 -7.163
230 HG23 THR 34 2HG2 THR 34 4.426 5.555 -6.678
231 H HIS 35 H HIS 35 4.491 6.814 -2.140
232 HA HIS 35 HA HIS 35 4.134 9.620 -1.498
233 HB2 HIS 35 1HB HIS 35 3.019 7.091 -0.276
234 HB3 HIS 35 2HB HIS 35 2.654 8.705 0.326
235 HD1 HIS 35 HD1 HIS 35 2.162 10.172 -2.318
236 HD2 HIS 35 HD2 HIS 35 0.670 6.393 -1.452
237 HE1 HIS 35 HE1 HIS 35 0.162 9.880 -3.814
238 H SER 36 H SER 36 6.756 9.076 -1.241
239 HA SER 36 HA SER 36 7.866 8.055 1.002
240 HB2 SER 36 1HB SER 36 9.085 9.249 -0.839
241 HB3 SER 36 2HB SER 36 8.615 10.776 -0.091
242 HG SER 36 HG SER 36 9.844 8.884 1.540
243 H GLY 37 H GLY 37 7.766 8.371 3.135
244 HA2 GLY 37 1HA GLY 37 7.065 10.968 4.226
245 HA3 GLY 37 2HA GLY 37 5.882 9.699 4.505
246 H GLU 38 H GLU 38 7.311 7.518 5.092
247 HA GLU 38 HA GLU 38 8.878 8.335 7.449
248 HB2 GLU 38 1HB GLU 38 6.754 7.261 8.038
249 HB3 GLU 38 2HB GLU 38 7.183 5.861 7.066
250 HG2 GLU 38 1HG GLU 38 7.689 5.162 9.199
251 HG3 GLU 38 2HG GLU 38 9.252 5.719 8.604
252 H LYS 39 H LYS 39 10.759 8.357 6.041
253 HA LYS 39 HA LYS 39 11.665 5.766 5.054
254 HB2 LYS 39 1HB LYS 39 12.681 8.583 4.752
255 HB3 LYS 39 2HB LYS 39 13.659 7.200 4.279
256 HG2 LYS 39 1HG LYS 39 10.885 7.666 3.224
257 HG3 LYS 39 2HG LYS 39 12.333 8.312 2.448
258 HD2 LYS 39 1HD LYS 39 12.185 5.401 3.105
259 HD3 LYS 39 2HD LYS 39 11.338 6.017 1.684
260 HE2 LYS 39 1HE LYS 39 13.418 6.936 0.821
261 HE3 LYS 39 2HE LYS 39 14.275 6.394 2.264
262 HZ1 LYS 39 3HZ LYS 39 14.684 4.812 0.578
263 HZ2 LYS 39 1HZ LYS 39 13.049 4.714 0.152
264 HZ3 LYS 39 2HZ LYS 39 13.577 4.090 1.633
265 HA PRO 40 HA PRO 40 14.211 4.880 8.529
266 HB2 PRO 40 1HB PRO 40 16.088 3.326 7.333
267 HB3 PRO 40 2HB PRO 40 14.439 2.772 7.643
268 HG2 PRO 40 1HG PRO 40 15.640 3.824 5.111
269 HG3 PRO 40 2HG PRO 40 14.552 2.443 5.344
270 HD2 PRO 40 1HD PRO 40 13.681 4.851 4.465
271 HD3 PRO 40 2HD PRO 40 12.677 3.779 5.462
272 H SER 41 H SER 41 16.777 4.632 8.888
273 HA SER 41 HA SER 41 17.843 7.173 8.946
274 HB2 SER 41 1HB SER 41 18.646 5.127 10.215
275 HB3 SER 41 2HB SER 41 19.527 4.670 8.757
276 HG SER 41 HG SER 41 20.986 5.843 9.823
277 H GLY 42 H GLY 42 18.150 8.457 7.242
278 HA2 GLY 42 1HA GLY 42 19.348 7.289 4.811
279 HA3 GLY 42 2HA GLY 42 18.333 8.723 4.836
280 HA PRO 43 HA PRO 43 21.989 11.156 4.803
281 HB2 PRO 43 1HB PRO 43 20.995 13.467 5.823
282 HB3 PRO 43 2HB PRO 43 20.642 12.910 4.183
283 HG2 PRO 43 1HG PRO 43 18.978 12.680 6.661
284 HG3 PRO 43 2HG PRO 43 18.480 13.116 5.016
285 HD2 PRO 43 1HD PRO 43 18.116 10.636 6.040
286 HD3 PRO 43 2HD PRO 43 18.429 10.921 4.315
287 H SER 44 H SER 44 22.863 13.043 6.467
288 HA SER 44 HA SER 44 23.446 11.542 8.898
289 HB2 SER 44 1HB SER 44 25.209 12.679 7.381
290 HB3 SER 44 2HB SER 44 24.692 14.179 8.151
291 HG SER 44 HG SER 44 25.416 13.451 10.080
292 H SER 45 H SER 45 20.930 12.283 9.119
293 HA SER 45 HA SER 45 21.003 14.270 11.239
294 HB2 SER 45 1HB SER 45 19.530 14.636 8.659
295 HB3 SER 45 2HB SER 45 18.806 15.244 10.147
296 HG SER 45 HG SER 45 20.684 16.475 10.486
297 H GLY 46 H GLY 46 19.642 13.781 12.870
298 HA2 GLY 46 1HA GLY 46 18.555 11.337 13.283
299 HA3 GLY 46 2HA GLY 46 17.890 12.793 14.010
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -35.758 7.624 -0.354
2 HA2 GLY 1 1HA GLY 1 -34.555 5.276 -1.004
3 HA3 GLY 1 2HA GLY 1 -33.787 6.428 -2.085
4 H SER 2 H SER 2 -32.363 7.949 -1.268
5 HA SER 2 HA SER 2 -30.741 8.739 0.118
6 HB2 SER 2 1HB SER 2 -33.003 8.300 2.059
7 HB3 SER 2 2HB SER 2 -31.447 8.939 2.588
8 HG SER 2 HG SER 2 -33.260 10.065 0.727
9 H SER 3 H SER 3 -30.478 6.075 -0.606
10 HA SER 3 HA SER 3 -28.932 5.073 1.654
11 HB2 SER 3 1HB SER 3 -30.979 3.887 2.004
12 HB3 SER 3 2HB SER 3 -31.128 3.509 0.288
13 HG SER 3 HG SER 3 -30.326 1.703 1.292
14 H GLY 4 H GLY 4 -27.237 3.674 1.070
15 HA2 GLY 4 1HA GLY 4 -26.732 2.447 -1.323
16 HA3 GLY 4 2HA GLY 4 -26.230 4.111 -1.582
17 H SER 5 H SER 5 -25.648 1.197 0.287
18 HA SER 5 HA SER 5 -23.217 2.316 1.435
19 HB2 SER 5 1HB SER 5 -24.764 -0.225 1.847
20 HB3 SER 5 2HB SER 5 -23.097 -0.101 2.409
21 HG SER 5 HG SER 5 -25.135 0.651 3.739
22 H SER 6 H SER 6 -21.169 1.170 1.258
23 HA SER 6 HA SER 6 -20.529 0.587 -1.450
24 HB2 SER 6 1HB SER 6 -18.987 1.630 0.279
25 HB3 SER 6 2HB SER 6 -18.787 0.011 0.951
26 HG SER 6 HG SER 6 -17.929 1.042 -1.512
27 H GLY 7 H GLY 7 -20.091 -1.331 -2.459
28 HA2 GLY 7 1HA GLY 7 -21.450 -3.628 -1.714
29 HA3 GLY 7 2HA GLY 7 -20.114 -3.592 -2.856
30 H ALA 8 H ALA 8 -20.888 -5.579 -0.785
31 HA ALA 8 HA ALA 8 -18.848 -5.431 1.242
32 HB1 ALA 8 3HB ALA 8 -19.900 -7.178 2.235
33 HB2 ALA 8 1HB ALA 8 -21.228 -6.632 1.211
34 HB3 ALA 8 2HB ALA 8 -20.228 -7.995 0.707
35 H GLY 9 H GLY 9 -16.899 -5.337 0.076
36 HA2 GLY 9 1HA GLY 9 -15.535 -7.703 -0.318
37 HA3 GLY 9 2HA GLY 9 -16.192 -7.277 -1.892
38 H GLU 10 H GLU 10 -14.200 -6.038 0.765
39 HA GLU 10 HA GLU 10 -12.551 -4.658 -1.230
40 HB2 GLU 10 1HB GLU 10 -12.433 -2.649 0.055
41 HB3 GLU 10 2HB GLU 10 -14.135 -3.041 -0.144
42 HG2 GLU 10 1HG GLU 10 -14.044 -2.453 2.070
43 HG3 GLU 10 2HG GLU 10 -13.872 -4.205 2.158
44 H LYS 11 H LYS 11 -10.369 -4.327 -0.610
45 HA LYS 11 HA LYS 11 -9.466 -6.239 1.417
46 HB2 LYS 11 1HB LYS 11 -8.046 -4.899 -0.885
47 HB3 LYS 11 2HB LYS 11 -7.215 -5.878 0.316
48 HG2 LYS 11 1HG LYS 11 -9.535 -6.985 -1.214
49 HG3 LYS 11 2HG LYS 11 -7.914 -6.959 -1.913
50 HD2 LYS 11 1HD LYS 11 -7.058 -8.388 -0.265
51 HD3 LYS 11 2HD LYS 11 -8.427 -8.109 0.813
52 HE2 LYS 11 1HE LYS 11 -8.761 -10.261 -0.078
53 HE3 LYS 11 2HE LYS 11 -9.863 -9.211 -0.966
54 HZ1 LYS 11 3HZ LYS 11 -8.003 -10.913 -2.042
55 HZ2 LYS 11 1HZ LYS 11 -7.323 -9.376 -2.242
56 HZ3 LYS 11 2HZ LYS 11 -8.860 -9.709 -2.866
57 HA PRO 12 HA PRO 12 -8.166 -3.129 4.233
58 HB2 PRO 12 1HB PRO 12 -6.038 -4.358 5.387
59 HB3 PRO 12 2HB PRO 12 -7.711 -4.833 5.705
60 HG2 PRO 12 1HG PRO 12 -5.709 -6.071 3.855
61 HG3 PRO 12 2HG PRO 12 -6.847 -6.861 4.962
62 HD2 PRO 12 1HD PRO 12 -7.313 -6.642 2.303
63 HD3 PRO 12 2HD PRO 12 -8.619 -6.627 3.506
64 H TYR 13 H TYR 13 -5.927 -4.396 1.882
65 HA TYR 13 HA TYR 13 -3.869 -2.457 2.397
66 HB2 TYR 13 1HB TYR 13 -4.147 -4.059 -0.136
67 HB3 TYR 13 2HB TYR 13 -2.678 -3.459 0.626
68 HD1 TYR 13 HD2 TYR 13 -1.962 -4.500 2.832
69 HD2 TYR 13 HD1 TYR 13 -4.952 -6.214 0.338
70 HE1 TYR 13 HE2 TYR 13 -1.662 -6.661 3.968
71 HE2 TYR 13 HE1 TYR 13 -4.662 -8.379 1.468
72 HH TYR 13 HH TYR 13 -3.727 -9.429 3.224
73 H GLY 14 H GLY 14 -4.562 -0.390 2.135
74 HA2 GLY 14 1HA GLY 14 -5.159 0.430 -0.605
75 HA3 GLY 14 2HA GLY 14 -6.361 0.817 0.617
76 H CYS 15 H CYS 15 -4.114 2.235 -1.118
77 HA CYS 15 HA CYS 15 -2.471 3.576 0.754
78 HB2 CYS 15 1HB CYS 15 -1.783 3.508 -1.541
79 HB3 CYS 15 2HB CYS 15 -3.284 4.258 -2.074
80 H SER 16 H SER 16 -2.720 5.458 1.850
81 HA SER 16 HA SER 16 -5.345 6.781 1.629
82 HB2 SER 16 1HB SER 16 -3.593 6.431 4.073
83 HB3 SER 16 2HB SER 16 -5.085 7.371 4.031
84 HG SER 16 HG SER 16 -4.734 4.584 3.784
85 H GLU 17 H GLU 17 -3.256 7.557 -0.023
86 HA GLU 17 HA GLU 17 -2.625 10.212 1.079
87 HB2 GLU 17 1HB GLU 17 -0.817 8.263 -0.297
88 HB3 GLU 17 2HB GLU 17 -0.537 9.987 -0.497
89 HG2 GLU 17 1HG GLU 17 -0.881 8.934 2.256
90 HG3 GLU 17 2HG GLU 17 0.630 8.600 1.413
91 H CYS 18 H CYS 18 -2.928 8.270 -1.879
92 HA CYS 18 HA CYS 18 -3.754 10.709 -3.309
93 HB2 CYS 18 1HB CYS 18 -3.049 9.640 -5.361
94 HB3 CYS 18 2HB CYS 18 -1.729 9.567 -4.198
95 H GLY 19 H GLY 19 -4.468 7.260 -2.884
96 HA2 GLY 19 1HA GLY 19 -6.881 6.779 -2.497
97 HA3 GLY 19 2HA GLY 19 -7.195 7.810 -3.885
98 H LYS 20 H LYS 20 -5.049 5.051 -3.164
99 HA LYS 20 HA LYS 20 -6.039 3.784 -5.634
100 HB2 LYS 20 1HB LYS 20 -3.266 4.105 -4.579
101 HB3 LYS 20 2HB LYS 20 -3.655 2.634 -5.462
102 HG2 LYS 20 1HG LYS 20 -4.582 4.246 -7.260
103 HG3 LYS 20 2HG LYS 20 -3.609 5.461 -6.429
104 HD2 LYS 20 1HD LYS 20 -1.603 4.256 -6.835
105 HD3 LYS 20 2HD LYS 20 -2.491 2.829 -7.374
106 HE2 LYS 20 1HE LYS 20 -3.207 3.933 -9.361
107 HE3 LYS 20 2HE LYS 20 -2.613 5.488 -8.782
108 HZ1 LYS 20 3HZ LYS 20 -0.841 3.165 -9.285
109 HZ2 LYS 20 1HZ LYS 20 -0.387 4.773 -9.017
110 HZ3 LYS 20 2HZ LYS 20 -1.171 4.344 -10.453
111 H ALA 21 H ALA 21 -5.409 1.332 -5.584
112 HA ALA 21 HA ALA 21 -5.630 0.171 -2.924
113 HB1 ALA 21 3HB ALA 21 -7.922 0.354 -3.295
114 HB2 ALA 21 1HB ALA 21 -7.772 -0.023 -5.011
115 HB3 ALA 21 2HB ALA 21 -7.553 -1.293 -3.806
116 H PHE 22 H PHE 22 -5.438 -2.219 -2.982
117 HA PHE 22 HA PHE 22 -4.306 -3.341 -5.413
118 HB2 PHE 22 1HB PHE 22 -2.702 -3.521 -2.871
119 HB3 PHE 22 2HB PHE 22 -2.197 -3.908 -4.513
120 HD1 PHE 22 HD1 PHE 22 -2.957 -1.166 -2.177
121 HD2 PHE 22 HD2 PHE 22 -1.343 -2.240 -5.967
122 HE1 PHE 22 HE1 PHE 22 -2.018 1.096 -2.415
123 HE2 PHE 22 HE2 PHE 22 -0.401 0.019 -6.210
124 HZ PHE 22 HZ PHE 22 -0.738 1.691 -4.433
125 H SER 23 H SER 23 -3.704 -5.708 -5.031
126 HA SER 23 HA SER 23 -5.888 -6.923 -3.517
127 HB2 SER 23 1HB SER 23 -5.362 -8.963 -4.805
128 HB3 SER 23 2HB SER 23 -5.652 -7.583 -5.865
129 HG SER 23 HG SER 23 -3.363 -9.051 -5.467
130 H SER 24 H SER 24 -2.368 -7.102 -3.851
131 HA SER 24 HA SER 24 -2.249 -8.800 -1.459
132 HB2 SER 24 1HB SER 24 -0.098 -8.147 -3.488
133 HB3 SER 24 2HB SER 24 0.087 -9.242 -2.118
134 HG SER 24 HG SER 24 -0.408 -10.371 -4.039
135 H LYS 25 H LYS 25 -0.043 -8.328 -0.223
136 HA LYS 25 HA LYS 25 -0.341 -5.644 0.813
137 HB2 LYS 25 1HB LYS 25 -0.083 -7.313 2.472
138 HB3 LYS 25 2HB LYS 25 1.291 -8.035 1.645
139 HG2 LYS 25 1HG LYS 25 1.985 -6.817 3.634
140 HG3 LYS 25 2HG LYS 25 2.652 -6.088 2.171
141 HD2 LYS 25 1HD LYS 25 1.273 -4.236 2.308
142 HD3 LYS 25 2HD LYS 25 0.069 -5.078 3.287
143 HE2 LYS 25 1HE LYS 25 2.832 -4.474 4.305
144 HE3 LYS 25 2HE LYS 25 1.505 -3.324 4.454
145 HZ1 LYS 25 3HZ LYS 25 1.691 -4.629 6.450
146 HZ2 LYS 25 1HZ LYS 25 1.581 -6.073 5.574
147 HZ3 LYS 25 2HZ LYS 25 0.250 -5.032 5.660
148 H SER 26 H SER 26 2.106 -7.533 -0.892
149 HA SER 26 HA SER 26 4.220 -5.714 -0.759
150 HB2 SER 26 1HB SER 26 3.498 -7.751 -2.873
151 HB3 SER 26 2HB SER 26 5.011 -6.844 -2.878
152 HG SER 26 HG SER 26 5.161 -7.717 -0.600
153 H TYR 27 H TYR 27 1.667 -6.054 -3.206
154 HA TYR 27 HA TYR 27 2.447 -4.171 -5.036
155 HB2 TYR 27 1HB TYR 27 -0.200 -5.177 -4.117
156 HB3 TYR 27 2HB TYR 27 -0.186 -3.738 -5.131
157 HD1 TYR 27 HD2 TYR 27 1.622 -4.061 -7.191
158 HD2 TYR 27 HD1 TYR 27 -0.602 -7.130 -5.258
159 HE1 TYR 27 HE2 TYR 27 1.837 -5.471 -9.195
160 HE2 TYR 27 HE1 TYR 27 -0.393 -8.549 -7.256
161 HH TYR 27 HH TYR 27 1.738 -7.796 -9.829
162 H LEU 28 H LEU 28 0.482 -3.586 -2.125
163 HA LEU 28 HA LEU 28 0.138 -0.845 -2.418
164 HB2 LEU 28 1HB LEU 28 -1.113 -2.008 -0.772
165 HB3 LEU 28 2HB LEU 28 0.350 -2.570 0.036
166 HG LEU 28 HG LEU 28 0.816 -0.222 0.705
167 HD11 LEU 28 1HD1 LEU 28 -0.410 0.922 -1.051
168 HD12 LEU 28 2HD1 LEU 28 -0.993 1.421 0.537
169 HD13 LEU 28 3HD1 LEU 28 -1.931 0.282 -0.430
170 HD21 LEU 28 3HD2 LEU 28 -0.238 -1.705 2.280
171 HD22 LEU 28 1HD2 LEU 28 -1.821 -1.408 1.561
172 HD23 LEU 28 2HD2 LEU 28 -0.980 -0.110 2.410
173 H ILE 29 H ILE 29 2.708 -2.584 -0.678
174 HA ILE 29 HA ILE 29 4.134 -0.418 0.282
175 HB ILE 29 HB ILE 29 5.283 -3.018 -0.739
176 HG12 ILE 29 1HG1 ILE 29 4.530 -2.284 2.092
177 HG13 ILE 29 2HG1 ILE 29 3.460 -3.172 1.012
178 HG21 ILE 29 1HG2 ILE 29 6.482 -1.306 1.403
179 HG22 ILE 29 2HG2 ILE 29 7.243 -2.550 0.413
180 HG23 ILE 29 3HG2 ILE 29 6.822 -0.993 -0.299
181 HD11 ILE 29 3HD1 ILE 29 5.615 -4.711 0.796
182 HD12 ILE 29 1HD1 ILE 29 5.913 -4.050 2.403
183 HD13 ILE 29 2HD1 ILE 29 4.416 -4.922 2.072
184 H ILE 30 H ILE 30 4.714 -2.164 -2.775
185 HA ILE 30 HA ILE 30 6.766 -0.676 -3.804
186 HB ILE 30 HB ILE 30 4.416 -1.769 -5.355
187 HG12 ILE 30 1HG1 ILE 30 7.118 -3.051 -4.994
188 HG13 ILE 30 2HG1 ILE 30 5.802 -3.338 -3.861
189 HG21 ILE 30 1HG2 ILE 30 6.131 -1.867 -7.214
190 HG22 ILE 30 2HG2 ILE 30 5.541 -0.264 -6.781
191 HG23 ILE 30 3HG2 ILE 30 7.125 -0.800 -6.223
192 HD11 ILE 30 3HD1 ILE 30 6.105 -4.212 -6.682
193 HD12 ILE 30 1HD1 ILE 30 5.546 -5.110 -5.271
194 HD13 ILE 30 2HD1 ILE 30 4.483 -3.935 -6.047
195 H HIS 31 H HIS 31 3.353 0.155 -3.696
196 HA HIS 31 HA HIS 31 3.555 2.443 -5.383
197 HB2 HIS 31 1HB HIS 31 1.403 1.437 -5.148
198 HB3 HIS 31 2HB HIS 31 1.472 1.547 -3.391
199 HD1 HIS 31 HD1 HIS 31 0.961 3.675 -6.453
200 HD2 HIS 31 HD2 HIS 31 0.619 3.949 -2.321
201 HE1 HIS 31 HE1 HIS 31 -0.232 5.846 -6.020
202 H MET 32 H MET 32 3.414 2.010 -1.857
203 HA MET 32 HA MET 32 3.412 4.606 -1.004
204 HB2 MET 32 1HB MET 32 4.695 2.130 0.089
205 HB3 MET 32 2HB MET 32 4.971 3.674 0.885
206 HG2 MET 32 1HG MET 32 2.179 2.852 0.275
207 HG3 MET 32 2HG MET 32 3.021 2.094 1.624
208 HE1 MET 32 3HE MET 32 0.595 5.688 1.980
209 HE2 MET 32 1HE MET 32 1.016 5.069 0.382
210 HE3 MET 32 2HE MET 32 0.294 3.996 1.581
211 H ARG 33 H ARG 33 6.000 2.878 -2.546
212 HA ARG 33 HA ARG 33 8.259 4.225 -1.831
213 HB2 ARG 33 1HB ARG 33 7.414 3.317 -4.585
214 HB3 ARG 33 2HB ARG 33 9.038 3.870 -4.199
215 HG2 ARG 33 1HG ARG 33 7.861 1.690 -2.557
216 HG3 ARG 33 2HG ARG 33 8.415 1.317 -4.190
217 HD2 ARG 33 1HD ARG 33 10.094 2.687 -2.095
218 HD3 ARG 33 2HD ARG 33 10.130 0.954 -2.417
219 HE ARG 33 HE ARG 33 10.616 2.624 -4.722
220 HH11 ARG 33 1HH1 ARG 33 12.019 0.912 -2.034
221 HH12 ARG 33 2HH1 ARG 33 13.585 0.787 -2.763
222 HH21 ARG 33 1HH2 ARG 33 12.674 2.465 -5.692
223 HH22 ARG 33 2HH2 ARG 33 13.958 1.671 -4.843
224 H THR 34 H THR 34 5.711 5.343 -3.991
225 HA THR 34 HA THR 34 7.070 7.708 -4.822
226 HB THR 34 HB THR 34 4.839 8.441 -5.646
227 HG1 THR 34 HG1 THR 34 3.940 5.931 -4.638
228 HG21 THR 34 3HG2 THR 34 6.321 6.996 -7.006
229 HG22 THR 34 1HG2 THR 34 4.612 6.734 -7.349
230 HG23 THR 34 2HG2 THR 34 5.499 5.580 -6.353
231 H HIS 35 H HIS 35 4.542 7.044 -2.417
232 HA HIS 35 HA HIS 35 4.353 9.755 -1.546
233 HB2 HIS 35 1HB HIS 35 3.405 7.154 -0.339
234 HB3 HIS 35 2HB HIS 35 3.095 8.724 0.397
235 HD1 HIS 35 HD1 HIS 35 2.089 10.444 -1.750
236 HD2 HIS 35 HD2 HIS 35 1.170 6.394 -1.631
237 HE1 HIS 35 HE1 HIS 35 -0.003 10.188 -3.122
238 H SER 36 H SER 36 6.406 10.472 -1.006
239 HA SER 36 HA SER 36 7.480 9.355 1.495
240 HB2 SER 36 1HB SER 36 8.933 8.607 -0.313
241 HB3 SER 36 2HB SER 36 9.086 10.260 -0.908
242 HG SER 36 HG SER 36 10.778 10.260 0.354
243 H GLY 37 H GLY 37 6.692 10.943 2.817
244 HA2 GLY 37 1HA GLY 37 6.879 12.940 3.965
245 HA3 GLY 37 2HA GLY 37 8.105 13.441 2.810
246 H GLU 38 H GLU 38 7.012 13.687 0.476
247 HA GLU 38 HA GLU 38 4.452 15.082 0.741
248 HB2 GLU 38 1HB GLU 38 7.051 16.289 -0.123
249 HB3 GLU 38 2HB GLU 38 5.554 16.864 -0.842
250 HG2 GLU 38 1HG GLU 38 4.741 17.175 1.565
251 HG3 GLU 38 2HG GLU 38 6.437 17.007 2.015
252 H LYS 39 H LYS 39 3.140 14.215 -0.708
253 HA LYS 39 HA LYS 39 3.564 12.428 -2.641
254 HB2 LYS 39 1HB LYS 39 1.684 14.787 -2.775
255 HB3 LYS 39 2HB LYS 39 1.636 13.449 -3.916
256 HG2 LYS 39 1HG LYS 39 0.844 11.963 -2.349
257 HG3 LYS 39 2HG LYS 39 1.486 12.889 -0.990
258 HD2 LYS 39 1HD LYS 39 -0.751 13.367 -0.807
259 HD3 LYS 39 2HD LYS 39 -0.222 14.700 -1.836
260 HE2 LYS 39 1HE LYS 39 -1.138 13.742 -3.751
261 HE3 LYS 39 2HE LYS 39 -1.202 12.134 -3.032
262 HZ1 LYS 39 3HZ LYS 39 -3.325 12.584 -2.618
263 HZ2 LYS 39 1HZ LYS 39 -3.146 14.229 -2.970
264 HZ3 LYS 39 2HZ LYS 39 -2.792 13.653 -1.420
265 HA PRO 40 HA PRO 40 6.176 14.125 -5.752
266 HB2 PRO 40 1HB PRO 40 5.501 12.498 -7.817
267 HB3 PRO 40 2HB PRO 40 6.492 11.961 -6.455
268 HG2 PRO 40 1HG PRO 40 3.567 11.555 -6.946
269 HG3 PRO 40 2HG PRO 40 4.771 10.401 -6.345
270 HD2 PRO 40 1HD PRO 40 3.048 11.693 -4.705
271 HD3 PRO 40 2HD PRO 40 4.687 11.237 -4.199
272 H SER 41 H SER 41 5.749 16.075 -6.579
273 HA SER 41 HA SER 41 3.244 16.494 -8.047
274 HB2 SER 41 1HB SER 41 5.170 18.341 -6.667
275 HB3 SER 41 2HB SER 41 4.061 18.963 -7.888
276 HG SER 41 HG SER 41 2.793 19.094 -6.193
277 H GLY 42 H GLY 42 5.601 15.078 -9.132
278 HA2 GLY 42 1HA GLY 42 6.837 14.992 -11.066
279 HA3 GLY 42 2HA GLY 42 5.574 16.012 -11.739
280 HA PRO 43 HA PRO 43 9.694 18.272 -11.649
281 HB2 PRO 43 1HB PRO 43 9.868 18.676 -14.328
282 HB3 PRO 43 2HB PRO 43 10.514 17.238 -13.530
283 HG2 PRO 43 1HG PRO 43 7.933 17.586 -15.006
284 HG3 PRO 43 2HG PRO 43 9.086 16.240 -15.069
285 HD2 PRO 43 1HD PRO 43 6.802 16.136 -13.618
286 HD3 PRO 43 2HD PRO 43 8.287 15.301 -13.122
287 H SER 44 H SER 44 9.373 20.316 -11.060
288 HA SER 44 HA SER 44 7.302 21.884 -12.444
289 HB2 SER 44 1HB SER 44 7.030 21.568 -9.979
290 HB3 SER 44 2HB SER 44 8.551 22.428 -9.740
291 HG SER 44 HG SER 44 6.500 23.610 -11.253
292 H SER 45 H SER 45 8.435 22.713 -14.155
293 HA SER 45 HA SER 45 10.801 24.346 -13.513
294 HB2 SER 45 1HB SER 45 11.193 22.470 -15.106
295 HB3 SER 45 2HB SER 45 10.017 23.195 -16.202
296 HG SER 45 HG SER 45 11.450 24.626 -16.786
297 H GLY 46 H GLY 46 10.054 26.358 -13.146
298 HA2 GLY 46 1HA GLY 46 8.648 27.670 -15.360
299 HA3 GLY 46 2HA GLY 46 7.927 27.749 -13.759
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -29.986 1.843 -7.547
2 HA2 GLY 1 1HA GLY 1 -29.507 2.661 -10.018
3 HA3 GLY 1 2HA GLY 1 -28.015 3.171 -9.243
4 H SER 2 H SER 2 -26.941 1.733 -10.734
5 HA SER 2 HA SER 2 -26.819 -0.991 -9.670
6 HB2 SER 2 1HB SER 2 -28.307 -0.899 -11.735
7 HB3 SER 2 2HB SER 2 -26.856 -0.483 -12.647
8 HG SER 2 HG SER 2 -26.337 -2.508 -12.624
9 H SER 3 H SER 3 -24.796 -1.787 -9.526
10 HA SER 3 HA SER 3 -22.640 -0.565 -11.065
11 HB2 SER 3 1HB SER 3 -22.948 -0.389 -8.096
12 HB3 SER 3 2HB SER 3 -21.328 -0.566 -8.769
13 HG SER 3 HG SER 3 -21.565 1.559 -8.836
14 H GLY 4 H GLY 4 -20.933 -1.923 -11.462
15 HA2 GLY 4 1HA GLY 4 -21.313 -4.654 -11.481
16 HA3 GLY 4 2HA GLY 4 -19.737 -3.883 -11.566
17 H SER 5 H SER 5 -21.911 -5.701 -9.648
18 HA SER 5 HA SER 5 -21.121 -5.277 -7.062
19 HB2 SER 5 1HB SER 5 -21.672 -7.956 -8.361
20 HB3 SER 5 2HB SER 5 -21.689 -7.640 -6.627
21 HG SER 5 HG SER 5 -23.284 -6.050 -8.284
22 H SER 6 H SER 6 -19.038 -4.865 -6.569
23 HA SER 6 HA SER 6 -16.878 -6.440 -7.645
24 HB2 SER 6 1HB SER 6 -16.696 -3.984 -7.137
25 HB3 SER 6 2HB SER 6 -16.760 -4.391 -5.422
26 HG SER 6 HG SER 6 -14.894 -5.780 -5.890
27 H GLY 7 H GLY 7 -18.382 -5.998 -4.456
28 HA2 GLY 7 1HA GLY 7 -18.208 -8.630 -3.635
29 HA3 GLY 7 2HA GLY 7 -16.698 -7.881 -3.138
30 H ALA 8 H ALA 8 -18.521 -8.958 -1.320
31 HA ALA 8 HA ALA 8 -19.989 -6.722 -0.172
32 HB1 ALA 8 3HB ALA 8 -19.790 -9.354 1.201
33 HB2 ALA 8 1HB ALA 8 -21.157 -8.246 1.069
34 HB3 ALA 8 2HB ALA 8 -20.702 -9.254 -0.306
35 H GLY 9 H GLY 9 -18.292 -5.354 0.477
36 HA2 GLY 9 1HA GLY 9 -17.480 -4.981 2.886
37 HA3 GLY 9 2HA GLY 9 -16.516 -6.417 2.573
38 H GLU 10 H GLU 10 -14.955 -4.549 3.279
39 HA GLU 10 HA GLU 10 -14.068 -3.091 0.883
40 HB2 GLU 10 1HB GLU 10 -12.907 -1.575 2.366
41 HB3 GLU 10 2HB GLU 10 -14.582 -1.719 2.880
42 HG2 GLU 10 1HG GLU 10 -14.015 -3.035 4.738
43 HG3 GLU 10 2HG GLU 10 -12.394 -3.349 4.121
44 H LYS 11 H LYS 11 -11.718 -2.879 0.582
45 HA LYS 11 HA LYS 11 -10.448 -5.456 0.845
46 HB2 LYS 11 1HB LYS 11 -9.392 -2.882 -0.341
47 HB3 LYS 11 2HB LYS 11 -8.655 -4.470 -0.508
48 HG2 LYS 11 1HG LYS 11 -11.470 -4.083 -1.399
49 HG3 LYS 11 2HG LYS 11 -10.153 -3.480 -2.406
50 HD2 LYS 11 1HD LYS 11 -10.108 -6.287 -1.361
51 HD3 LYS 11 2HD LYS 11 -11.048 -5.880 -2.799
52 HE2 LYS 11 1HE LYS 11 -9.002 -4.937 -3.819
53 HE3 LYS 11 2HE LYS 11 -8.087 -5.458 -2.405
54 HZ1 LYS 11 3HZ LYS 11 -9.043 -6.999 -4.645
55 HZ2 LYS 11 1HZ LYS 11 -9.342 -7.721 -3.144
56 HZ3 LYS 11 2HZ LYS 11 -7.762 -7.310 -3.585
57 HA PRO 12 HA PRO 12 -8.124 -4.638 4.492
58 HB2 PRO 12 1HB PRO 12 -6.065 -6.363 4.097
59 HB3 PRO 12 2HB PRO 12 -7.691 -6.894 4.543
60 HG2 PRO 12 1HG PRO 12 -6.389 -6.838 1.848
61 HG3 PRO 12 2HG PRO 12 -7.393 -8.103 2.580
62 HD2 PRO 12 1HD PRO 12 -8.363 -6.338 0.770
63 HD3 PRO 12 2HD PRO 12 -9.359 -7.009 2.078
64 H TYR 13 H TYR 13 -6.532 -4.517 1.352
65 HA TYR 13 HA TYR 13 -4.455 -2.769 2.477
66 HB2 TYR 13 1HB TYR 13 -4.428 -3.921 -0.303
67 HB3 TYR 13 2HB TYR 13 -3.072 -3.339 0.657
68 HD1 TYR 13 HD2 TYR 13 -2.242 -4.705 2.567
69 HD2 TYR 13 HD1 TYR 13 -5.185 -6.171 -0.134
70 HE1 TYR 13 HE2 TYR 13 -1.795 -6.999 3.334
71 HE2 TYR 13 HE1 TYR 13 -4.747 -8.469 0.626
72 HH TYR 13 HH TYR 13 -3.615 -9.386 3.152
73 H GLY 14 H GLY 14 -3.719 -0.990 0.960
74 HA2 GLY 14 1HA GLY 14 -4.939 0.167 -1.111
75 HA3 GLY 14 2HA GLY 14 -6.075 0.530 0.180
76 H CYS 15 H CYS 15 -4.655 2.455 -1.355
77 HA CYS 15 HA CYS 15 -2.751 3.541 0.606
78 HB2 CYS 15 1HB CYS 15 -1.729 3.343 -1.544
79 HB3 CYS 15 2HB CYS 15 -3.118 4.072 -2.343
80 H SER 16 H SER 16 -3.915 4.701 2.035
81 HA SER 16 HA SER 16 -6.125 6.359 1.168
82 HB2 SER 16 1HB SER 16 -4.883 6.012 3.908
83 HB3 SER 16 2HB SER 16 -6.376 6.885 3.565
84 HG SER 16 HG SER 16 -6.240 4.410 4.165
85 H GLU 17 H GLU 17 -3.415 6.971 0.220
86 HA GLU 17 HA GLU 17 -2.940 9.572 1.499
87 HB2 GLU 17 1HB GLU 17 -1.104 7.736 1.068
88 HB3 GLU 17 2HB GLU 17 -1.105 8.410 -0.556
89 HG2 GLU 17 1HG GLU 17 -0.523 9.876 2.005
90 HG3 GLU 17 2HG GLU 17 0.628 9.442 0.743
91 H CYS 18 H CYS 18 -3.212 8.071 -1.714
92 HA CYS 18 HA CYS 18 -4.000 10.705 -2.777
93 HB2 CYS 18 1HB CYS 18 -3.119 10.003 -4.943
94 HB3 CYS 18 2HB CYS 18 -1.867 9.893 -3.710
95 H GLY 19 H GLY 19 -4.503 7.201 -3.096
96 HA2 GLY 19 1HA GLY 19 -7.025 6.727 -2.942
97 HA3 GLY 19 2HA GLY 19 -7.103 7.755 -4.365
98 H LYS 20 H LYS 20 -4.909 5.130 -3.371
99 HA LYS 20 HA LYS 20 -5.499 3.814 -5.941
100 HB2 LYS 20 1HB LYS 20 -2.955 3.723 -4.309
101 HB3 LYS 20 2HB LYS 20 -3.236 2.834 -5.801
102 HG2 LYS 20 1HG LYS 20 -3.583 5.782 -5.848
103 HG3 LYS 20 2HG LYS 20 -1.944 5.131 -5.769
104 HD2 LYS 20 1HD LYS 20 -2.132 4.071 -7.828
105 HD3 LYS 20 2HD LYS 20 -3.896 4.076 -7.780
106 HE2 LYS 20 1HE LYS 20 -4.016 6.347 -8.333
107 HE3 LYS 20 2HE LYS 20 -2.328 6.631 -7.913
108 HZ1 LYS 20 3HZ LYS 20 -3.478 5.603 -10.371
109 HZ2 LYS 20 1HZ LYS 20 -2.060 4.837 -9.856
110 HZ3 LYS 20 2HZ LYS 20 -2.068 6.506 -10.128
111 H ALA 21 H ALA 21 -4.822 1.372 -5.781
112 HA ALA 21 HA ALA 21 -5.450 0.176 -3.212
113 HB1 ALA 21 3HB ALA 21 -7.190 -1.294 -4.566
114 HB2 ALA 21 1HB ALA 21 -7.656 0.209 -3.769
115 HB3 ALA 21 2HB ALA 21 -7.335 0.193 -5.503
116 H PHE 22 H PHE 22 -5.306 -2.239 -3.321
117 HA PHE 22 HA PHE 22 -3.918 -3.376 -5.578
118 HB2 PHE 22 1HB PHE 22 -2.466 -3.335 -2.933
119 HB3 PHE 22 2HB PHE 22 -1.862 -3.899 -4.487
120 HD1 PHE 22 HD1 PHE 22 -3.075 -0.835 -2.766
121 HD2 PHE 22 HD2 PHE 22 -0.614 -2.482 -5.823
122 HE1 PHE 22 HE1 PHE 22 -2.127 1.394 -3.200
123 HE2 PHE 22 HE2 PHE 22 0.338 -0.256 -6.261
124 HZ PHE 22 HZ PHE 22 -0.417 1.686 -4.948
125 H SER 23 H SER 23 -3.393 -5.705 -5.191
126 HA SER 23 HA SER 23 -5.562 -6.911 -3.654
127 HB2 SER 23 1HB SER 23 -4.951 -7.464 -6.127
128 HB3 SER 23 2HB SER 23 -3.674 -8.449 -5.414
129 HG SER 23 HG SER 23 -5.439 -9.759 -5.634
130 H SER 24 H SER 24 -2.045 -6.954 -3.903
131 HA SER 24 HA SER 24 -1.935 -8.607 -1.469
132 HB2 SER 24 1HB SER 24 0.035 -9.555 -2.205
133 HB3 SER 24 2HB SER 24 -0.749 -9.240 -3.753
134 HG SER 24 HG SER 24 1.485 -8.078 -2.630
135 H LYS 25 H LYS 25 0.184 -8.139 -0.194
136 HA LYS 25 HA LYS 25 0.014 -5.419 0.690
137 HB2 LYS 25 1HB LYS 25 0.421 -7.449 2.159
138 HB3 LYS 25 2HB LYS 25 2.063 -7.470 1.529
139 HG2 LYS 25 1HG LYS 25 2.290 -5.103 2.357
140 HG3 LYS 25 2HG LYS 25 0.751 -5.337 3.190
141 HD2 LYS 25 1HD LYS 25 2.297 -5.869 4.833
142 HD3 LYS 25 2HD LYS 25 1.888 -7.453 4.169
143 HE2 LYS 25 1HE LYS 25 3.916 -6.941 2.576
144 HE3 LYS 25 2HE LYS 25 4.386 -5.851 3.879
145 HZ1 LYS 25 3HZ LYS 25 3.927 -7.962 5.324
146 HZ2 LYS 25 1HZ LYS 25 5.408 -7.766 4.531
147 HZ3 LYS 25 2HZ LYS 25 4.224 -8.778 3.872
148 H SER 26 H SER 26 2.821 -7.349 -0.379
149 HA SER 26 HA SER 26 4.675 -5.371 -0.646
150 HB2 SER 26 1HB SER 26 4.245 -7.755 -2.459
151 HB3 SER 26 2HB SER 26 5.700 -6.759 -2.463
152 HG SER 26 HG SER 26 6.354 -7.997 -0.908
153 H TYR 27 H TYR 27 2.260 -6.315 -3.069
154 HA TYR 27 HA TYR 27 3.031 -4.608 -5.122
155 HB2 TYR 27 1HB TYR 27 1.350 -6.381 -5.392
156 HB3 TYR 27 2HB TYR 27 0.227 -5.476 -4.384
157 HD1 TYR 27 HD1 TYR 27 2.441 -3.976 -6.933
158 HD2 TYR 27 HD2 TYR 27 -1.518 -5.207 -5.978
159 HE1 TYR 27 HE1 TYR 27 1.603 -2.806 -8.928
160 HE2 TYR 27 HE2 TYR 27 -2.367 -4.042 -7.970
161 HH TYR 27 HH TYR 27 -1.378 -1.908 -9.414
162 H LEU 28 H LEU 28 1.208 -3.962 -2.209
163 HA LEU 28 HA LEU 28 0.340 -1.351 -3.030
164 HB2 LEU 28 1HB LEU 28 -1.101 -2.154 -1.466
165 HB3 LEU 28 2HB LEU 28 0.162 -3.013 -0.586
166 HG LEU 28 HG LEU 28 0.921 -0.734 0.249
167 HD11 LEU 28 1HD1 LEU 28 -0.892 0.197 -1.595
168 HD12 LEU 28 2HD1 LEU 28 -0.175 1.132 -0.283
169 HD13 LEU 28 3HD1 LEU 28 -1.751 0.373 -0.064
170 HD21 LEU 28 3HD2 LEU 28 -1.856 -1.362 1.164
171 HD22 LEU 28 1HD2 LEU 28 -0.443 -0.896 2.110
172 HD23 LEU 28 2HD2 LEU 28 -0.549 -2.518 1.426
173 H ILE 29 H ILE 29 2.851 -2.617 -0.865
174 HA ILE 29 HA ILE 29 3.849 -0.208 0.094
175 HB ILE 29 HB ILE 29 5.383 -2.738 -0.509
176 HG12 ILE 29 1HG1 ILE 29 4.351 -1.810 2.165
177 HG13 ILE 29 2HG1 ILE 29 3.376 -2.807 1.092
178 HG21 ILE 29 1HG2 ILE 29 6.109 -0.405 1.258
179 HG22 ILE 29 2HG2 ILE 29 7.018 -1.909 1.113
180 HG23 ILE 29 3HG2 ILE 29 6.875 -0.829 -0.273
181 HD11 ILE 29 3HD1 ILE 29 4.491 -4.156 2.764
182 HD12 ILE 29 1HD1 ILE 29 5.093 -4.541 1.153
183 HD13 ILE 29 2HD1 ILE 29 6.058 -3.541 2.239
184 H ILE 30 H ILE 30 4.933 -2.065 -2.747
185 HA ILE 30 HA ILE 30 6.990 -0.548 -3.660
186 HB ILE 30 HB ILE 30 4.790 -1.734 -5.356
187 HG12 ILE 30 1HG1 ILE 30 7.505 -2.926 -4.871
188 HG13 ILE 30 2HG1 ILE 30 6.198 -3.189 -3.723
189 HG21 ILE 30 1HG2 ILE 30 7.469 -0.585 -6.049
190 HG22 ILE 30 2HG2 ILE 30 6.716 -1.819 -7.058
191 HG23 ILE 30 3HG2 ILE 30 5.901 -0.277 -6.794
192 HD11 ILE 30 3HD1 ILE 30 5.369 -4.799 -4.984
193 HD12 ILE 30 1HD1 ILE 30 5.263 -3.714 -6.370
194 HD13 ILE 30 2HD1 ILE 30 6.748 -4.616 -6.067
195 H HIS 31 H HIS 31 3.574 0.241 -3.821
196 HA HIS 31 HA HIS 31 3.884 2.497 -5.543
197 HB2 HIS 31 1HB HIS 31 1.735 1.468 -5.484
198 HB3 HIS 31 2HB HIS 31 1.650 1.589 -3.729
199 HD1 HIS 31 HD1 HIS 31 2.082 4.112 -6.558
200 HD2 HIS 31 HD2 HIS 31 -0.045 3.560 -3.032
201 HE1 HIS 31 HE1 HIS 31 0.641 6.159 -6.315
202 H MET 32 H MET 32 3.374 2.145 -2.037
203 HA MET 32 HA MET 32 3.307 4.772 -1.270
204 HB2 MET 32 1HB MET 32 4.658 2.458 0.127
205 HB3 MET 32 2HB MET 32 4.335 4.014 0.881
206 HG2 MET 32 1HG MET 32 1.875 3.476 0.060
207 HG3 MET 32 2HG MET 32 2.476 1.823 0.167
208 HE1 MET 32 3HE MET 32 0.857 4.287 3.494
209 HE2 MET 32 1HE MET 32 1.487 5.058 2.038
210 HE3 MET 32 2HE MET 32 0.215 3.843 1.911
211 H ARG 33 H ARG 33 6.039 2.942 -2.405
212 HA ARG 33 HA ARG 33 8.233 4.220 -1.482
213 HB2 ARG 33 1HB ARG 33 7.684 3.464 -4.357
214 HB3 ARG 33 2HB ARG 33 9.274 3.852 -3.714
215 HG2 ARG 33 1HG ARG 33 7.558 1.611 -2.677
216 HG3 ARG 33 2HG ARG 33 8.787 1.415 -3.928
217 HD2 ARG 33 1HD ARG 33 9.386 2.593 -1.227
218 HD3 ARG 33 2HD ARG 33 9.486 0.863 -1.553
219 HE ARG 33 HE ARG 33 11.309 2.918 -2.456
220 HH11 ARG 33 1HH1 ARG 33 10.165 -0.345 -2.866
221 HH12 ARG 33 2HH1 ARG 33 11.610 -0.891 -3.651
222 HH21 ARG 33 1HH2 ARG 33 13.216 2.211 -3.488
223 HH22 ARG 33 2HH2 ARG 33 13.345 0.563 -4.004
224 H THR 34 H THR 34 5.994 5.461 -3.911
225 HA THR 34 HA THR 34 7.499 7.801 -4.513
226 HB THR 34 HB THR 34 5.473 8.611 -5.627
227 HG1 THR 34 HG1 THR 34 4.256 6.316 -4.448
228 HG21 THR 34 3HG2 THR 34 5.078 6.101 -6.756
229 HG22 THR 34 1HG2 THR 34 6.727 6.049 -6.135
230 HG23 THR 34 2HG2 THR 34 6.251 7.313 -7.269
231 H HIS 35 H HIS 35 4.704 7.170 -2.413
232 HA HIS 35 HA HIS 35 4.487 9.863 -1.507
233 HB2 HIS 35 1HB HIS 35 3.408 7.292 -0.334
234 HB3 HIS 35 2HB HIS 35 2.966 8.907 0.213
235 HD1 HIS 35 HD1 HIS 35 2.459 10.318 -2.428
236 HD2 HIS 35 HD2 HIS 35 1.177 6.449 -1.622
237 HE1 HIS 35 HE1 HIS 35 0.535 9.907 -3.994
238 H SER 36 H SER 36 6.713 10.281 -0.942
239 HA SER 36 HA SER 36 7.790 8.896 1.374
240 HB2 SER 36 1HB SER 36 8.857 10.977 -0.517
241 HB3 SER 36 2HB SER 36 9.683 10.634 1.003
242 HG SER 36 HG SER 36 8.975 8.456 -0.579
243 H GLY 37 H GLY 37 7.809 9.648 3.412
244 HA2 GLY 37 1HA GLY 37 6.902 12.423 3.857
245 HA3 GLY 37 2HA GLY 37 6.241 11.085 4.785
246 H GLU 38 H GLU 38 8.486 9.616 5.359
247 HA GLU 38 HA GLU 38 9.527 10.951 7.584
248 HB2 GLU 38 1HB GLU 38 10.289 8.461 6.106
249 HB3 GLU 38 2HB GLU 38 11.342 9.070 7.375
250 HG2 GLU 38 1HG GLU 38 9.486 8.961 8.964
251 HG3 GLU 38 2HG GLU 38 8.441 8.333 7.691
252 H LYS 39 H LYS 39 11.834 11.421 8.010
253 HA LYS 39 HA LYS 39 13.479 12.983 7.574
254 HB2 LYS 39 1HB LYS 39 13.906 10.804 5.530
255 HB3 LYS 39 2HB LYS 39 15.082 12.076 5.834
256 HG2 LYS 39 1HG LYS 39 15.622 11.267 7.920
257 HG3 LYS 39 2HG LYS 39 14.083 10.424 8.107
258 HD2 LYS 39 1HD LYS 39 15.722 8.750 7.756
259 HD3 LYS 39 2HD LYS 39 14.833 8.898 6.239
260 HE2 LYS 39 1HE LYS 39 16.610 10.300 5.327
261 HE3 LYS 39 2HE LYS 39 17.491 10.189 6.850
262 HZ1 LYS 39 3HZ LYS 39 17.353 8.317 4.683
263 HZ2 LYS 39 1HZ LYS 39 17.045 7.596 6.183
264 HZ3 LYS 39 2HZ LYS 39 18.488 8.441 5.931
265 HA PRO 40 HA PRO 40 11.210 14.815 3.856
266 HB2 PRO 40 1HB PRO 40 10.016 16.859 5.185
267 HB3 PRO 40 2HB PRO 40 9.262 15.273 4.987
268 HG2 PRO 40 1HG PRO 40 10.737 16.388 7.341
269 HG3 PRO 40 2HG PRO 40 9.234 15.448 7.305
270 HD2 PRO 40 1HD PRO 40 11.632 14.341 7.905
271 HD3 PRO 40 2HD PRO 40 10.347 13.442 7.072
272 H SER 41 H SER 41 11.720 16.811 2.842
273 HA SER 41 HA SER 41 13.078 18.542 2.263
274 HB2 SER 41 1HB SER 41 12.960 18.823 5.247
275 HB3 SER 41 2HB SER 41 14.048 19.852 4.317
276 HG SER 41 HG SER 41 11.972 20.160 2.991
277 H GLY 42 H GLY 42 14.222 16.013 2.221
278 HA2 GLY 42 1HA GLY 42 16.253 14.947 2.114
279 HA3 GLY 42 2HA GLY 42 16.929 16.562 1.959
280 HA PRO 43 HA PRO 43 18.588 14.655 5.847
281 HB2 PRO 43 1HB PRO 43 21.164 15.374 5.380
282 HB3 PRO 43 2HB PRO 43 20.456 13.879 4.759
283 HG2 PRO 43 1HG PRO 43 20.890 16.491 3.364
284 HG3 PRO 43 2HG PRO 43 21.174 14.845 2.769
285 HD2 PRO 43 1HD PRO 43 18.974 16.276 2.102
286 HD3 PRO 43 2HD PRO 43 18.950 14.508 2.267
287 H SER 44 H SER 44 17.424 16.328 6.952
288 HA SER 44 HA SER 44 18.986 18.795 7.358
289 HB2 SER 44 1HB SER 44 16.813 19.270 6.355
290 HB3 SER 44 2HB SER 44 16.001 18.365 7.631
291 HG SER 44 HG SER 44 16.924 19.917 9.116
292 H SER 45 H SER 45 19.772 19.162 9.327
293 HA SER 45 HA SER 45 18.997 17.344 11.488
294 HB2 SER 45 1HB SER 45 21.444 17.751 10.735
295 HB3 SER 45 2HB SER 45 21.302 19.274 11.611
296 HG SER 45 HG SER 45 20.471 16.973 12.934
297 H GLY 46 H GLY 46 17.607 18.023 12.970
298 HA2 GLY 46 1HA GLY 46 17.716 20.822 13.847
299 HA3 GLY 46 2HA GLY 46 16.180 20.185 13.277
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -19.966 10.602 -16.133
2 HA2 GLY 1 1HA GLY 1 -18.123 9.607 -15.103
3 HA3 GLY 1 2HA GLY 1 -17.760 11.141 -14.325
4 H SER 2 H SER 2 -18.056 8.278 -13.354
5 HA SER 2 HA SER 2 -19.837 8.917 -11.101
6 HB2 SER 2 1HB SER 2 -20.590 6.582 -11.038
7 HB3 SER 2 2HB SER 2 -20.977 7.320 -12.592
8 HG SER 2 HG SER 2 -18.964 5.442 -11.974
9 H SER 3 H SER 3 -19.051 8.474 -9.114
10 HA SER 3 HA SER 3 -16.279 7.623 -8.944
11 HB2 SER 3 1HB SER 3 -18.221 8.874 -7.020
12 HB3 SER 3 2HB SER 3 -16.720 8.156 -6.437
13 HG SER 3 HG SER 3 -16.617 10.446 -6.958
14 H GLY 4 H GLY 4 -15.555 5.744 -8.097
15 HA2 GLY 4 1HA GLY 4 -17.426 3.994 -6.682
16 HA3 GLY 4 2HA GLY 4 -16.718 3.386 -8.171
17 H SER 5 H SER 5 -16.482 2.537 -5.304
18 HA SER 5 HA SER 5 -13.663 3.006 -4.744
19 HB2 SER 5 1HB SER 5 -14.104 1.744 -2.660
20 HB3 SER 5 2HB SER 5 -15.223 3.092 -2.865
21 HG SER 5 HG SER 5 -15.690 0.344 -3.002
22 H SER 6 H SER 6 -12.064 1.540 -4.988
23 HA SER 6 HA SER 6 -12.749 -0.933 -6.396
24 HB2 SER 6 1HB SER 6 -10.305 -1.015 -6.919
25 HB3 SER 6 2HB SER 6 -11.101 0.443 -7.512
26 HG SER 6 HG SER 6 -9.139 0.943 -6.476
27 H GLY 7 H GLY 7 -10.487 0.105 -3.833
28 HA2 GLY 7 1HA GLY 7 -11.009 -2.457 -2.476
29 HA3 GLY 7 2HA GLY 7 -9.353 -1.938 -2.759
30 H ALA 8 H ALA 8 -12.387 -0.875 -1.245
31 HA ALA 8 HA ALA 8 -10.787 0.625 0.720
32 HB1 ALA 8 3HB ALA 8 -13.662 0.970 -0.117
33 HB2 ALA 8 1HB ALA 8 -12.889 1.858 1.196
34 HB3 ALA 8 2HB ALA 8 -12.313 2.054 -0.459
35 H GLY 9 H GLY 9 -13.875 -1.172 0.574
36 HA2 GLY 9 1HA GLY 9 -13.472 -1.949 3.377
37 HA3 GLY 9 2HA GLY 9 -14.989 -2.036 2.494
38 H GLU 10 H GLU 10 -14.007 -3.354 0.178
39 HA GLU 10 HA GLU 10 -14.258 -6.029 0.962
40 HB2 GLU 10 1HB GLU 10 -13.528 -4.621 -1.554
41 HB3 GLU 10 2HB GLU 10 -13.145 -6.333 -1.448
42 HG2 GLU 10 1HG GLU 10 -15.222 -6.462 -2.350
43 HG3 GLU 10 2HG GLU 10 -15.645 -6.495 -0.639
44 H LYS 11 H LYS 11 -11.380 -4.162 0.053
45 HA LYS 11 HA LYS 11 -9.708 -6.364 1.063
46 HB2 LYS 11 1HB LYS 11 -8.984 -4.097 -0.804
47 HB3 LYS 11 2HB LYS 11 -7.879 -5.349 -0.252
48 HG2 LYS 11 1HG LYS 11 -10.389 -6.185 -1.603
49 HG3 LYS 11 2HG LYS 11 -9.089 -5.503 -2.583
50 HD2 LYS 11 1HD LYS 11 -7.588 -7.206 -1.964
51 HD3 LYS 11 2HD LYS 11 -8.605 -7.725 -0.617
52 HE2 LYS 11 1HE LYS 11 -9.380 -7.938 -3.523
53 HE3 LYS 11 2HE LYS 11 -8.666 -9.249 -2.587
54 HZ1 LYS 11 3HZ LYS 11 -11.271 -8.931 -2.835
55 HZ2 LYS 11 1HZ LYS 11 -11.031 -7.968 -1.465
56 HZ3 LYS 11 2HZ LYS 11 -10.569 -9.595 -1.445
57 HA PRO 12 HA PRO 12 -8.502 -3.894 4.500
58 HB2 PRO 12 1HB PRO 12 -6.112 -5.055 5.055
59 HB3 PRO 12 2HB PRO 12 -7.661 -5.830 5.406
60 HG2 PRO 12 1HG PRO 12 -5.807 -6.262 3.096
61 HG3 PRO 12 2HG PRO 12 -6.687 -7.459 4.063
62 HD2 PRO 12 1HD PRO 12 -7.537 -6.649 1.623
63 HD3 PRO 12 2HD PRO 12 -8.658 -7.124 2.915
64 H TYR 13 H TYR 13 -6.162 -4.397 1.891
65 HA TYR 13 HA TYR 13 -4.492 -2.205 2.652
66 HB2 TYR 13 1HB TYR 13 -4.592 -3.429 -0.097
67 HB3 TYR 13 2HB TYR 13 -3.221 -2.690 0.723
68 HD1 TYR 13 HD2 TYR 13 -2.954 -3.959 3.225
69 HD2 TYR 13 HD1 TYR 13 -4.259 -5.679 -0.441
70 HE1 TYR 13 HE2 TYR 13 -2.227 -6.173 4.012
71 HE2 TYR 13 HE1 TYR 13 -3.536 -7.898 0.336
72 HH TYR 13 HH TYR 13 -2.746 -9.082 2.050
73 H GLY 14 H GLY 14 -4.074 -0.337 1.208
74 HA2 GLY 14 1HA GLY 14 -5.593 0.626 -0.827
75 HA3 GLY 14 2HA GLY 14 -6.566 0.976 0.594
76 H CYS 15 H CYS 15 -3.720 1.784 -1.208
77 HA CYS 15 HA CYS 15 -2.160 3.299 0.351
78 HB2 CYS 15 1HB CYS 15 -1.752 3.178 -2.018
79 HB3 CYS 15 2HB CYS 15 -3.241 4.049 -2.369
80 H SER 16 H SER 16 -2.733 4.541 2.013
81 HA SER 16 HA SER 16 -5.109 6.210 1.864
82 HB2 SER 16 1HB SER 16 -4.549 6.721 4.262
83 HB3 SER 16 2HB SER 16 -4.808 5.009 3.928
84 HG SER 16 HG SER 16 -2.937 5.375 5.203
85 H GLU 17 H GLU 17 -3.183 7.017 0.057
86 HA GLU 17 HA GLU 17 -2.373 9.603 1.201
87 HB2 GLU 17 1HB GLU 17 -0.738 7.634 -0.327
88 HB3 GLU 17 2HB GLU 17 -0.458 9.344 -0.623
89 HG2 GLU 17 1HG GLU 17 1.072 8.479 1.049
90 HG3 GLU 17 2HG GLU 17 0.000 9.697 1.738
91 H CYS 18 H CYS 18 -2.776 7.841 -1.872
92 HA CYS 18 HA CYS 18 -3.785 10.331 -3.074
93 HB2 CYS 18 1HB CYS 18 -3.189 9.394 -5.235
94 HB3 CYS 18 2HB CYS 18 -1.794 9.338 -4.161
95 H GLY 19 H GLY 19 -4.384 6.844 -2.830
96 HA2 GLY 19 1HA GLY 19 -6.785 6.317 -2.335
97 HA3 GLY 19 2HA GLY 19 -7.162 7.361 -3.698
98 H LYS 20 H LYS 20 -4.649 4.877 -3.354
99 HA LYS 20 HA LYS 20 -5.898 3.444 -5.607
100 HB2 LYS 20 1HB LYS 20 -3.017 4.046 -5.016
101 HB3 LYS 20 2HB LYS 20 -3.450 2.646 -5.989
102 HG2 LYS 20 1HG LYS 20 -4.718 4.205 -7.491
103 HG3 LYS 20 2HG LYS 20 -3.998 5.541 -6.588
104 HD2 LYS 20 1HD LYS 20 -2.596 5.255 -8.448
105 HD3 LYS 20 2HD LYS 20 -1.746 4.458 -7.122
106 HE2 LYS 20 1HE LYS 20 -2.999 2.335 -7.956
107 HE3 LYS 20 2HE LYS 20 -3.191 3.254 -9.449
108 HZ1 LYS 20 3HZ LYS 20 -0.808 3.484 -9.598
109 HZ2 LYS 20 1HZ LYS 20 -1.208 1.845 -9.468
110 HZ3 LYS 20 2HZ LYS 20 -0.594 2.675 -8.128
111 H ALA 21 H ALA 21 -6.421 1.381 -5.267
112 HA ALA 21 HA ALA 21 -5.412 0.088 -2.822
113 HB1 ALA 21 3HB ALA 21 -7.708 0.196 -2.560
114 HB2 ALA 21 1HB ALA 21 -8.021 -0.092 -4.272
115 HB3 ALA 21 2HB ALA 21 -7.483 -1.416 -3.237
116 H PHE 22 H PHE 22 -4.673 -2.030 -2.886
117 HA PHE 22 HA PHE 22 -4.249 -3.159 -5.574
118 HB2 PHE 22 1HB PHE 22 -2.305 -3.275 -3.258
119 HB3 PHE 22 2HB PHE 22 -2.053 -3.948 -4.865
120 HD1 PHE 22 HD1 PHE 22 -2.493 -0.786 -2.999
121 HD2 PHE 22 HD2 PHE 22 -1.202 -2.632 -6.610
122 HE1 PHE 22 HE1 PHE 22 -1.499 1.343 -3.728
123 HE2 PHE 22 HE2 PHE 22 -0.204 -0.507 -7.344
124 HZ PHE 22 HZ PHE 22 -0.351 1.485 -5.903
125 H SER 23 H SER 23 -3.513 -5.557 -5.341
126 HA SER 23 HA SER 23 -5.610 -6.892 -3.856
127 HB2 SER 23 1HB SER 23 -5.201 -7.626 -6.131
128 HB3 SER 23 2HB SER 23 -3.506 -7.946 -5.762
129 HG SER 23 HG SER 23 -4.582 -9.880 -5.643
130 H SER 24 H SER 24 -2.063 -6.907 -3.955
131 HA SER 24 HA SER 24 -2.070 -8.339 -1.380
132 HB2 SER 24 1HB SER 24 -0.074 -8.301 -3.638
133 HB3 SER 24 2HB SER 24 0.367 -8.849 -2.021
134 HG SER 24 HG SER 24 -0.369 -10.521 -3.507
135 H LYS 25 H LYS 25 -0.761 -7.608 0.297
136 HA LYS 25 HA LYS 25 -0.572 -4.898 0.728
137 HB2 LYS 25 1HB LYS 25 -0.392 -6.454 2.558
138 HB3 LYS 25 2HB LYS 25 1.086 -7.138 1.895
139 HG2 LYS 25 1HG LYS 25 1.988 -4.702 2.154
140 HG3 LYS 25 2HG LYS 25 0.662 -4.550 3.310
141 HD2 LYS 25 1HD LYS 25 2.501 -6.898 3.480
142 HD3 LYS 25 2HD LYS 25 3.029 -5.334 4.106
143 HE2 LYS 25 1HE LYS 25 0.399 -6.567 4.879
144 HE3 LYS 25 2HE LYS 25 1.893 -6.930 5.741
145 HZ1 LYS 25 3HZ LYS 25 2.033 -4.322 5.803
146 HZ2 LYS 25 1HZ LYS 25 1.145 -5.181 6.959
147 HZ3 LYS 25 2HZ LYS 25 0.352 -4.445 5.659
148 H SER 26 H SER 26 1.962 -7.077 -0.472
149 HA SER 26 HA SER 26 4.083 -5.318 -0.598
150 HB2 SER 26 1HB SER 26 4.772 -6.735 -2.653
151 HB3 SER 26 2HB SER 26 4.585 -7.555 -1.104
152 HG SER 26 HG SER 26 2.876 -7.578 -3.343
153 H TYR 27 H TYR 27 1.578 -5.885 -3.054
154 HA TYR 27 HA TYR 27 2.510 -4.196 -5.038
155 HB2 TYR 27 1HB TYR 27 -0.171 -5.221 -4.255
156 HB3 TYR 27 2HB TYR 27 -0.119 -3.881 -5.394
157 HD1 TYR 27 HD2 TYR 27 2.086 -4.408 -7.123
158 HD2 TYR 27 HD1 TYR 27 -0.619 -7.187 -5.372
159 HE1 TYR 27 HE2 TYR 27 2.524 -5.983 -8.960
160 HE2 TYR 27 HE1 TYR 27 -0.188 -8.770 -7.205
161 HH TYR 27 HH TYR 27 1.839 -9.153 -8.867
162 H LEU 28 H LEU 28 0.742 -3.434 -2.103
163 HA LEU 28 HA LEU 28 0.218 -0.712 -2.788
164 HB2 LEU 28 1HB LEU 28 -1.219 -1.672 -1.196
165 HB3 LEU 28 2HB LEU 28 0.125 -2.278 -0.229
166 HG LEU 28 HG LEU 28 0.666 0.085 0.367
167 HD11 LEU 28 1HD1 LEU 28 -1.968 1.109 -0.257
168 HD12 LEU 28 2HD1 LEU 28 -1.063 0.691 -1.711
169 HD13 LEU 28 3HD1 LEU 28 -0.381 1.823 -0.542
170 HD21 LEU 28 3HD2 LEU 28 -1.458 0.355 1.800
171 HD22 LEU 28 1HD2 LEU 28 -0.462 -1.081 2.033
172 HD23 LEU 28 2HD2 LEU 28 -1.950 -1.184 1.092
173 H ILE 29 H ILE 29 2.622 -2.315 -0.720
174 HA ILE 29 HA ILE 29 3.938 -0.074 0.242
175 HB ILE 29 HB ILE 29 5.164 -2.736 -0.490
176 HG12 ILE 29 1HG1 ILE 29 4.223 -1.792 2.219
177 HG13 ILE 29 2HG1 ILE 29 3.204 -2.727 1.129
178 HG21 ILE 29 1HG2 ILE 29 7.113 -1.855 0.098
179 HG22 ILE 29 2HG2 ILE 29 6.341 -0.314 0.467
180 HG23 ILE 29 3HG2 ILE 29 6.466 -1.558 1.711
181 HD11 ILE 29 3HD1 ILE 29 5.773 -3.581 2.429
182 HD12 ILE 29 1HD1 ILE 29 4.155 -4.233 2.687
183 HD13 ILE 29 2HD1 ILE 29 4.977 -4.494 1.148
184 H ILE 30 H ILE 30 4.783 -1.998 -2.641
185 HA ILE 30 HA ILE 30 6.929 -0.578 -3.567
186 HB ILE 30 HB ILE 30 4.719 -1.734 -5.271
187 HG12 ILE 30 1HG1 ILE 30 7.336 -3.041 -4.543
188 HG13 ILE 30 2HG1 ILE 30 5.892 -3.242 -3.557
189 HG21 ILE 30 1HG2 ILE 30 6.336 -1.829 -7.051
190 HG22 ILE 30 2HG2 ILE 30 6.232 -0.172 -6.457
191 HG23 ILE 30 3HG2 ILE 30 7.594 -1.192 -5.993
192 HD11 ILE 30 3HD1 ILE 30 5.784 -5.090 -4.896
193 HD12 ILE 30 1HD1 ILE 30 4.809 -3.952 -5.825
194 HD13 ILE 30 2HD1 ILE 30 6.483 -4.261 -6.286
195 H HIS 31 H HIS 31 3.510 0.217 -3.934
196 HA HIS 31 HA HIS 31 3.917 2.437 -5.666
197 HB2 HIS 31 1HB HIS 31 1.757 1.424 -5.658
198 HB3 HIS 31 2HB HIS 31 1.602 1.610 -3.914
199 HD1 HIS 31 HD1 HIS 31 1.486 3.606 -7.103
200 HD2 HIS 31 HD2 HIS 31 0.599 4.041 -3.068
201 HE1 HIS 31 HE1 HIS 31 0.235 5.781 -6.920
202 H MET 32 H MET 32 3.326 2.165 -2.169
203 HA MET 32 HA MET 32 3.254 4.835 -1.494
204 HB2 MET 32 1HB MET 32 4.465 2.537 0.051
205 HB3 MET 32 2HB MET 32 4.129 4.123 0.733
206 HG2 MET 32 1HG MET 32 2.139 2.137 -0.330
207 HG3 MET 32 2HG MET 32 2.366 2.641 1.344
208 HE1 MET 32 3HE MET 32 0.386 4.873 2.236
209 HE2 MET 32 1HE MET 32 2.146 4.760 2.207
210 HE3 MET 32 2HE MET 32 1.342 6.171 1.520
211 H ARG 33 H ARG 33 5.973 2.906 -2.460
212 HA ARG 33 HA ARG 33 8.158 4.147 -1.445
213 HB2 ARG 33 1HB ARG 33 7.721 3.275 -4.305
214 HB3 ARG 33 2HB ARG 33 9.292 3.687 -3.629
215 HG2 ARG 33 1HG ARG 33 7.531 1.516 -2.520
216 HG3 ARG 33 2HG ARG 33 8.776 1.241 -3.741
217 HD2 ARG 33 1HD ARG 33 9.372 2.575 -1.115
218 HD3 ARG 33 2HD ARG 33 9.409 0.823 -1.306
219 HE ARG 33 HE ARG 33 11.335 2.722 -2.298
220 HH11 ARG 33 1HH1 ARG 33 10.011 -0.481 -2.624
221 HH12 ARG 33 2HH1 ARG 33 11.428 -1.131 -3.381
222 HH21 ARG 33 1HH2 ARG 33 13.206 1.878 -3.294
223 HH22 ARG 33 2HH2 ARG 33 13.245 0.212 -3.761
224 H THR 34 H THR 34 6.081 5.363 -4.024
225 HA THR 34 HA THR 34 7.686 7.633 -4.636
226 HB THR 34 HB THR 34 5.688 8.477 -5.830
227 HG1 THR 34 HG1 THR 34 3.764 7.599 -5.512
228 HG21 THR 34 3HG2 THR 34 6.787 5.752 -6.243
229 HG22 THR 34 1HG2 THR 34 6.843 7.166 -7.295
230 HG23 THR 34 2HG2 THR 34 5.369 6.203 -7.189
231 H HIS 35 H HIS 35 4.677 7.244 -2.768
232 HA HIS 35 HA HIS 35 4.403 9.906 -1.972
233 HB2 HIS 35 1HB HIS 35 3.505 7.327 -0.694
234 HB3 HIS 35 2HB HIS 35 3.096 8.903 -0.023
235 HD1 HIS 35 HD1 HIS 35 2.298 10.459 -2.481
236 HD2 HIS 35 HD2 HIS 35 1.213 6.497 -1.866
237 HE1 HIS 35 HE1 HIS 35 0.254 10.094 -3.899
238 H SER 36 H SER 36 5.798 7.189 -0.128
239 HA SER 36 HA SER 36 6.698 8.726 2.038
240 HB2 SER 36 1HB SER 36 8.130 6.793 2.575
241 HB3 SER 36 2HB SER 36 6.498 6.283 2.143
242 HG SER 36 HG SER 36 7.735 4.978 0.948
243 H GLY 37 H GLY 37 8.091 10.357 1.953
244 HA2 GLY 37 1HA GLY 37 10.754 10.047 1.082
245 HA3 GLY 37 2HA GLY 37 9.845 10.897 -0.160
246 H GLU 38 H GLU 38 9.484 11.108 3.357
247 HA GLU 38 HA GLU 38 10.462 13.878 3.233
248 HB2 GLU 38 1HB GLU 38 7.831 12.873 4.200
249 HB3 GLU 38 2HB GLU 38 8.585 14.185 5.096
250 HG2 GLU 38 1HG GLU 38 7.349 15.386 3.619
251 HG3 GLU 38 2HG GLU 38 8.843 15.230 2.697
252 H LYS 39 H LYS 39 11.982 11.698 4.049
253 HA LYS 39 HA LYS 39 13.154 10.795 5.799
254 HB2 LYS 39 1HB LYS 39 13.739 13.365 5.581
255 HB3 LYS 39 2HB LYS 39 12.989 13.444 7.170
256 HG2 LYS 39 1HG LYS 39 14.579 11.880 8.060
257 HG3 LYS 39 2HG LYS 39 15.267 11.610 6.457
258 HD2 LYS 39 1HD LYS 39 16.256 13.717 6.392
259 HD3 LYS 39 2HD LYS 39 15.195 14.359 7.649
260 HE2 LYS 39 1HE LYS 39 17.413 14.035 8.547
261 HE3 LYS 39 2HE LYS 39 16.301 12.887 9.291
262 HZ1 LYS 39 3HZ LYS 39 17.779 12.032 6.913
263 HZ2 LYS 39 1HZ LYS 39 17.270 11.129 8.250
264 HZ3 LYS 39 2HZ LYS 39 18.624 12.136 8.374
265 HA PRO 40 HA PRO 40 9.321 10.686 8.570
266 HB2 PRO 40 1HB PRO 40 8.535 8.165 7.942
267 HB3 PRO 40 2HB PRO 40 7.975 9.593 7.063
268 HG2 PRO 40 1HG PRO 40 10.137 7.651 6.342
269 HG3 PRO 40 2HG PRO 40 8.887 8.368 5.309
270 HD2 PRO 40 1HD PRO 40 11.437 9.277 5.355
271 HD3 PRO 40 2HD PRO 40 10.049 10.343 5.059
272 H SER 41 H SER 41 11.411 7.910 7.749
273 HA SER 41 HA SER 41 11.778 7.449 10.636
274 HB2 SER 41 1HB SER 41 10.648 5.584 9.509
275 HB3 SER 41 2HB SER 41 11.978 5.462 8.358
276 HG SER 41 HG SER 41 13.203 5.298 10.566
277 H GLY 42 H GLY 42 13.841 7.056 11.434
278 HA2 GLY 42 1HA GLY 42 16.001 7.990 9.673
279 HA3 GLY 42 2HA GLY 42 16.032 8.008 11.430
280 HA PRO 43 HA PRO 43 18.351 4.291 11.441
281 HB2 PRO 43 1HB PRO 43 17.490 3.127 13.737
282 HB3 PRO 43 2HB PRO 43 18.539 4.550 13.716
283 HG2 PRO 43 1HG PRO 43 15.576 4.386 14.111
284 HG3 PRO 43 2HG PRO 43 16.768 5.370 14.980
285 HD2 PRO 43 1HD PRO 43 15.197 6.380 13.019
286 HD3 PRO 43 2HD PRO 43 16.845 6.968 13.321
287 H SER 44 H SER 44 17.929 1.809 12.107
288 HA SER 44 HA SER 44 15.341 0.832 11.278
289 HB2 SER 44 1HB SER 44 17.784 0.269 9.579
290 HB3 SER 44 2HB SER 44 16.197 -0.471 9.370
291 HG SER 44 HG SER 44 16.694 1.408 8.006
292 H SER 45 H SER 45 14.917 -0.831 12.553
293 HA SER 45 HA SER 45 17.056 -2.175 13.967
294 HB2 SER 45 1HB SER 45 14.993 -1.537 15.156
295 HB3 SER 45 2HB SER 45 14.060 -2.598 14.100
296 HG SER 45 HG SER 45 15.820 -4.187 14.969
297 H GLY 46 H GLY 46 14.460 -3.079 11.711
298 HA2 GLY 46 1HA GLY 46 15.974 -4.942 10.289
299 HA3 GLY 46 2HA GLY 46 15.139 -5.819 11.562
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -37.146 -6.242 -4.817
2 HA2 GLY 1 1HA GLY 1 -35.186 -4.318 -3.725
3 HA3 GLY 1 2HA GLY 1 -36.294 -5.219 -2.701
4 H SER 2 H SER 2 -34.072 -6.034 -5.371
5 HA SER 2 HA SER 2 -32.823 -8.019 -3.595
6 HB2 SER 2 1HB SER 2 -32.638 -9.560 -5.535
7 HB3 SER 2 2HB SER 2 -34.313 -9.232 -5.090
8 HG SER 2 HG SER 2 -32.903 -7.884 -7.151
9 H SER 3 H SER 3 -30.796 -7.391 -3.290
10 HA SER 3 HA SER 3 -29.347 -6.152 -5.534
11 HB2 SER 3 1HB SER 3 -29.253 -5.743 -2.576
12 HB3 SER 3 2HB SER 3 -27.774 -5.492 -3.502
13 HG SER 3 HG SER 3 -30.274 -4.247 -4.018
14 H GLY 4 H GLY 4 -27.690 -7.213 -6.408
15 HA2 GLY 4 1HA GLY 4 -26.095 -9.054 -4.832
16 HA3 GLY 4 2HA GLY 4 -27.046 -9.804 -6.105
17 H SER 5 H SER 5 -24.135 -8.312 -5.341
18 HA SER 5 HA SER 5 -23.452 -8.121 -8.198
19 HB2 SER 5 1HB SER 5 -23.633 -5.852 -7.372
20 HB3 SER 5 2HB SER 5 -22.611 -6.234 -5.986
21 HG SER 5 HG SER 5 -20.947 -6.735 -7.582
22 H SER 6 H SER 6 -22.201 -9.849 -8.531
23 HA SER 6 HA SER 6 -20.298 -10.694 -6.488
24 HB2 SER 6 1HB SER 6 -20.037 -12.712 -7.788
25 HB3 SER 6 2HB SER 6 -21.760 -12.362 -7.656
26 HG SER 6 HG SER 6 -21.342 -11.211 -9.778
27 H GLY 7 H GLY 7 -18.619 -9.255 -6.543
28 HA2 GLY 7 1HA GLY 7 -16.937 -9.382 -8.941
29 HA3 GLY 7 2HA GLY 7 -17.399 -7.796 -8.341
30 H ALA 8 H ALA 8 -15.637 -6.927 -7.460
31 HA ALA 8 HA ALA 8 -13.658 -8.528 -6.114
32 HB1 ALA 8 3HB ALA 8 -12.509 -6.839 -7.051
33 HB2 ALA 8 1HB ALA 8 -13.894 -5.748 -7.032
34 HB3 ALA 8 2HB ALA 8 -12.931 -5.976 -5.572
35 H GLY 9 H GLY 9 -15.967 -5.996 -5.147
36 HA2 GLY 9 1HA GLY 9 -17.152 -5.919 -3.126
37 HA3 GLY 9 2HA GLY 9 -16.107 -7.181 -2.491
38 H GLU 10 H GLU 10 -14.061 -6.616 -1.638
39 HA GLU 10 HA GLU 10 -13.287 -3.849 -1.455
40 HB2 GLU 10 1HB GLU 10 -13.475 -3.624 0.940
41 HB3 GLU 10 2HB GLU 10 -15.054 -4.027 0.280
42 HG2 GLU 10 1HG GLU 10 -14.599 -6.411 0.899
43 HG3 GLU 10 2HG GLU 10 -13.163 -5.843 1.748
44 H LYS 11 H LYS 11 -11.358 -3.653 0.123
45 HA LYS 11 HA LYS 11 -9.787 -6.127 0.202
46 HB2 LYS 11 1HB LYS 11 -8.950 -3.532 -1.088
47 HB3 LYS 11 2HB LYS 11 -7.793 -4.761 -0.594
48 HG2 LYS 11 1HG LYS 11 -10.060 -5.289 -2.498
49 HG3 LYS 11 2HG LYS 11 -8.440 -4.808 -3.009
50 HD2 LYS 11 1HD LYS 11 -7.567 -6.795 -1.732
51 HD3 LYS 11 2HD LYS 11 -9.244 -7.309 -1.533
52 HE2 LYS 11 1HE LYS 11 -8.001 -6.751 -4.217
53 HE3 LYS 11 2HE LYS 11 -7.984 -8.345 -3.463
54 HZ1 LYS 11 3HZ LYS 11 -10.056 -7.104 -4.917
55 HZ2 LYS 11 1HZ LYS 11 -10.599 -7.426 -3.347
56 HZ3 LYS 11 2HZ LYS 11 -9.988 -8.680 -4.305
57 HA PRO 12 HA PRO 12 -8.654 -4.741 4.216
58 HB2 PRO 12 1HB PRO 12 -6.277 -6.021 4.507
59 HB3 PRO 12 2HB PRO 12 -7.833 -6.858 4.565
60 HG2 PRO 12 1HG PRO 12 -5.893 -6.622 2.297
61 HG3 PRO 12 2HG PRO 12 -6.800 -8.042 2.851
62 HD2 PRO 12 1HD PRO 12 -7.565 -6.568 0.712
63 HD3 PRO 12 2HD PRO 12 -8.729 -7.386 1.774
64 H TYR 13 H TYR 13 -6.200 -4.503 1.671
65 HA TYR 13 HA TYR 13 -4.821 -2.385 3.125
66 HB2 TYR 13 1HB TYR 13 -4.065 -3.351 0.383
67 HB3 TYR 13 2HB TYR 13 -3.036 -2.667 1.636
68 HD1 TYR 13 HD2 TYR 13 -2.341 -4.046 3.560
69 HD2 TYR 13 HD1 TYR 13 -4.583 -5.692 0.341
70 HE1 TYR 13 HE2 TYR 13 -1.728 -6.310 4.299
71 HE2 TYR 13 HE1 TYR 13 -3.978 -7.962 1.072
72 HH TYR 13 HH TYR 13 -3.274 -9.043 3.323
73 H GLY 14 H GLY 14 -4.013 -0.539 1.588
74 HA2 GLY 14 1HA GLY 14 -5.288 0.397 -0.620
75 HA3 GLY 14 2HA GLY 14 -6.393 0.813 0.682
76 H CYS 15 H CYS 15 -3.869 1.911 -1.150
77 HA CYS 15 HA CYS 15 -2.187 3.295 0.537
78 HB2 CYS 15 1HB CYS 15 -1.619 3.346 -1.736
79 HB3 CYS 15 2HB CYS 15 -3.220 3.895 -2.219
80 H SER 16 H SER 16 -2.799 4.483 2.226
81 HA SER 16 HA SER 16 -5.187 6.144 2.068
82 HB2 SER 16 1HB SER 16 -3.321 5.664 4.404
83 HB3 SER 16 2HB SER 16 -4.888 6.469 4.472
84 HG SER 16 HG SER 16 -5.763 4.434 3.656
85 H GLU 17 H GLU 17 -3.030 6.936 0.416
86 HA GLU 17 HA GLU 17 -2.199 9.442 1.726
87 HB2 GLU 17 1HB GLU 17 -0.306 7.949 1.197
88 HB3 GLU 17 2HB GLU 17 -0.788 7.952 -0.494
89 HG2 GLU 17 1HG GLU 17 0.845 9.532 -0.542
90 HG3 GLU 17 2HG GLU 17 -0.557 10.552 -0.221
91 H CYS 18 H CYS 18 -2.837 8.049 -1.495
92 HA CYS 18 HA CYS 18 -3.907 10.668 -2.314
93 HB2 CYS 18 1HB CYS 18 -3.389 10.024 -4.617
94 HB3 CYS 18 2HB CYS 18 -1.947 9.946 -3.610
95 H GLY 19 H GLY 19 -4.420 7.169 -2.487
96 HA2 GLY 19 1HA GLY 19 -6.845 6.613 -1.989
97 HA3 GLY 19 2HA GLY 19 -7.201 7.694 -3.328
98 H LYS 20 H LYS 20 -4.941 4.992 -2.757
99 HA LYS 20 HA LYS 20 -5.951 3.769 -5.240
100 HB2 LYS 20 1HB LYS 20 -3.581 4.808 -5.284
101 HB3 LYS 20 2HB LYS 20 -3.117 3.430 -4.295
102 HG2 LYS 20 1HG LYS 20 -3.386 1.936 -6.000
103 HG3 LYS 20 2HG LYS 20 -4.603 2.919 -6.817
104 HD2 LYS 20 1HD LYS 20 -1.841 4.000 -6.609
105 HD3 LYS 20 2HD LYS 20 -2.133 2.686 -7.751
106 HE2 LYS 20 1HE LYS 20 -3.840 5.159 -7.672
107 HE3 LYS 20 2HE LYS 20 -2.362 5.069 -8.628
108 HZ1 LYS 20 3HZ LYS 20 -3.502 2.885 -9.485
109 HZ2 LYS 20 1HZ LYS 20 -3.882 4.390 -10.158
110 HZ3 LYS 20 2HZ LYS 20 -4.915 3.690 -9.016
111 H ALA 21 H ALA 21 -5.783 1.438 -5.343
112 HA ALA 21 HA ALA 21 -5.520 0.115 -2.733
113 HB1 ALA 21 3HB ALA 21 -7.892 0.129 -4.534
114 HB2 ALA 21 1HB ALA 21 -7.524 -1.334 -3.619
115 HB3 ALA 21 2HB ALA 21 -7.810 0.188 -2.773
116 H PHE 22 H PHE 22 -5.221 -2.224 -2.891
117 HA PHE 22 HA PHE 22 -4.417 -3.256 -5.490
118 HB2 PHE 22 1HB PHE 22 -2.493 -3.314 -3.160
119 HB3 PHE 22 2HB PHE 22 -2.198 -3.885 -4.799
120 HD1 PHE 22 HD1 PHE 22 -2.687 -0.889 -2.712
121 HD2 PHE 22 HD2 PHE 22 -1.522 -2.402 -6.516
122 HE1 PHE 22 HE1 PHE 22 -1.794 1.323 -3.315
123 HE2 PHE 22 HE2 PHE 22 -0.627 -0.193 -7.125
124 HZ PHE 22 HZ PHE 22 -0.762 1.673 -5.524
125 H SER 23 H SER 23 -3.433 -5.611 -5.016
126 HA SER 23 HA SER 23 -5.596 -7.043 -3.774
127 HB2 SER 23 1HB SER 23 -4.662 -7.930 -5.821
128 HB3 SER 23 2HB SER 23 -3.050 -7.993 -5.108
129 HG SER 23 HG SER 23 -4.043 -10.036 -5.060
130 H SER 24 H SER 24 -2.060 -7.058 -3.287
131 HA SER 24 HA SER 24 -2.553 -7.842 -0.488
132 HB2 SER 24 1HB SER 24 -0.155 -8.485 -2.222
133 HB3 SER 24 2HB SER 24 -0.348 -8.946 -0.531
134 HG SER 24 HG SER 24 -2.133 -9.706 -2.601
135 H LYS 25 H LYS 25 -0.401 -7.335 0.829
136 HA LYS 25 HA LYS 25 -0.233 -4.505 0.949
137 HB2 LYS 25 1HB LYS 25 -0.011 -5.772 2.976
138 HB3 LYS 25 2HB LYS 25 1.343 -6.684 2.322
139 HG2 LYS 25 1HG LYS 25 2.740 -4.723 2.352
140 HG3 LYS 25 2HG LYS 25 1.379 -3.723 2.867
141 HD2 LYS 25 1HD LYS 25 2.413 -6.062 4.459
142 HD3 LYS 25 2HD LYS 25 2.974 -4.405 4.692
143 HE2 LYS 25 1HE LYS 25 0.606 -3.740 5.104
144 HE3 LYS 25 2HE LYS 25 0.166 -5.446 5.039
145 HZ1 LYS 25 3HZ LYS 25 0.449 -4.824 7.307
146 HZ2 LYS 25 1HZ LYS 25 1.967 -4.142 7.003
147 HZ3 LYS 25 2HZ LYS 25 1.754 -5.815 6.887
148 H SER 26 H SER 26 2.096 -7.011 -0.021
149 HA SER 26 HA SER 26 4.335 -5.578 -0.532
150 HB2 SER 26 1HB SER 26 4.637 -7.142 -2.566
151 HB3 SER 26 2HB SER 26 4.462 -7.884 -0.976
152 HG SER 26 HG SER 26 3.124 -8.896 -2.518
153 H TYR 27 H TYR 27 1.545 -5.851 -2.712
154 HA TYR 27 HA TYR 27 2.614 -4.215 -4.755
155 HB2 TYR 27 1HB TYR 27 -0.081 -5.286 -4.074
156 HB3 TYR 27 2HB TYR 27 0.003 -3.945 -5.211
157 HD1 TYR 27 HD2 TYR 27 1.861 -4.288 -7.110
158 HD2 TYR 27 HD1 TYR 27 -0.043 -7.418 -4.946
159 HE1 TYR 27 HE2 TYR 27 2.387 -5.858 -8.929
160 HE2 TYR 27 HE1 TYR 27 0.479 -8.997 -6.759
161 HH TYR 27 HH TYR 27 2.054 -9.237 -8.595
162 H LEU 28 H LEU 28 0.916 -3.529 -1.793
163 HA LEU 28 HA LEU 28 0.253 -0.822 -2.456
164 HB2 LEU 28 1HB LEU 28 -1.104 -1.900 -0.842
165 HB3 LEU 28 2HB LEU 28 0.295 -2.374 0.119
166 HG LEU 28 HG LEU 28 0.656 0.030 0.663
167 HD11 LEU 28 1HD1 LEU 28 -2.049 0.839 0.006
168 HD12 LEU 28 2HD1 LEU 28 -1.091 0.476 -1.429
169 HD13 LEU 28 3HD1 LEU 28 -0.519 1.673 -0.267
170 HD21 LEU 28 3HD2 LEU 28 -0.938 0.077 2.383
171 HD22 LEU 28 1HD2 LEU 28 -0.678 -1.636 2.056
172 HD23 LEU 28 2HD2 LEU 28 -2.118 -0.828 1.434
173 H ILE 29 H ILE 29 2.927 -2.444 -0.874
174 HA ILE 29 HA ILE 29 4.146 -0.134 0.224
175 HB ILE 29 HB ILE 29 5.483 -2.716 -0.593
176 HG12 ILE 29 1HG1 ILE 29 3.524 -2.966 0.972
177 HG13 ILE 29 2HG1 ILE 29 5.061 -3.526 1.620
178 HG21 ILE 29 1HG2 ILE 29 7.046 -2.039 1.292
179 HG22 ILE 29 2HG2 ILE 29 7.162 -1.116 -0.205
180 HG23 ILE 29 3HG2 ILE 29 6.311 -0.439 1.183
181 HD11 ILE 29 3HD1 ILE 29 4.873 -2.167 3.350
182 HD12 ILE 29 1HD1 ILE 29 4.675 -0.772 2.289
183 HD13 ILE 29 2HD1 ILE 29 3.268 -1.719 2.773
184 H ILE 30 H ILE 30 4.830 -1.988 -2.740
185 HA ILE 30 HA ILE 30 6.928 -0.503 -3.733
186 HB ILE 30 HB ILE 30 4.698 -1.748 -5.346
187 HG12 ILE 30 1HG1 ILE 30 7.389 -2.940 -4.679
188 HG13 ILE 30 2HG1 ILE 30 5.958 -3.227 -3.695
189 HG21 ILE 30 1HG2 ILE 30 6.372 -0.050 -6.405
190 HG22 ILE 30 2HG2 ILE 30 7.498 -1.404 -6.317
191 HG23 ILE 30 3HG2 ILE 30 6.001 -1.561 -7.236
192 HD11 ILE 30 3HD1 ILE 30 6.794 -4.545 -6.069
193 HD12 ILE 30 1HD1 ILE 30 5.410 -4.895 -5.032
194 HD13 ILE 30 2HD1 ILE 30 5.245 -3.756 -6.370
195 H HIS 31 H HIS 31 3.481 0.189 -3.873
196 HA HIS 31 HA HIS 31 3.675 2.379 -5.672
197 HB2 HIS 31 1HB HIS 31 1.543 1.361 -5.468
198 HB3 HIS 31 2HB HIS 31 1.559 1.503 -3.712
199 HD1 HIS 31 HD1 HIS 31 1.072 3.563 -6.824
200 HD2 HIS 31 HD2 HIS 31 0.601 3.894 -2.709
201 HE1 HIS 31 HE1 HIS 31 -0.198 5.702 -6.463
202 H MET 32 H MET 32 3.503 2.151 -2.134
203 HA MET 32 HA MET 32 3.418 4.853 -1.520
204 HB2 MET 32 1HB MET 32 4.390 2.418 -0.111
205 HB3 MET 32 2HB MET 32 4.851 3.980 0.552
206 HG2 MET 32 1HG MET 32 1.995 3.389 -0.099
207 HG3 MET 32 2HG MET 32 2.714 2.820 1.406
208 HE1 MET 32 3HE MET 32 0.518 5.913 0.263
209 HE2 MET 32 1HE MET 32 0.273 4.382 1.103
210 HE3 MET 32 2HE MET 32 0.313 5.891 2.015
211 H ARG 33 H ARG 33 6.010 2.974 -2.794
212 HA ARG 33 HA ARG 33 8.233 4.423 -1.941
213 HB2 ARG 33 1HB ARG 33 7.776 3.010 -4.574
214 HB3 ARG 33 2HB ARG 33 9.340 3.563 -3.992
215 HG2 ARG 33 1HG ARG 33 9.238 2.040 -2.128
216 HG3 ARG 33 2HG ARG 33 7.603 1.551 -2.580
217 HD2 ARG 33 1HD ARG 33 8.427 0.614 -4.658
218 HD3 ARG 33 2HD ARG 33 10.057 1.179 -4.293
219 HE ARG 33 HE ARG 33 9.429 -0.393 -2.171
220 HH11 ARG 33 1HH1 ARG 33 9.409 -0.858 -5.621
221 HH12 ARG 33 2HH1 ARG 33 9.748 -2.555 -5.526
222 HH21 ARG 33 1HH2 ARG 33 9.876 -2.626 -2.032
223 HH22 ARG 33 2HH2 ARG 33 10.012 -3.559 -3.484
224 H THR 34 H THR 34 5.865 5.122 -4.409
225 HA THR 34 HA THR 34 7.344 7.198 -5.692
226 HB THR 34 HB THR 34 5.274 7.763 -6.827
227 HG1 THR 34 HG1 THR 34 3.352 6.521 -6.206
228 HG21 THR 34 3HG2 THR 34 6.597 5.446 -7.127
229 HG22 THR 34 1HG2 THR 34 5.205 5.892 -8.113
230 HG23 THR 34 2HG2 THR 34 4.998 4.818 -6.729
231 H HIS 35 H HIS 35 4.813 7.134 -3.211
232 HA HIS 35 HA HIS 35 4.564 9.945 -2.972
233 HB2 HIS 35 1HB HIS 35 3.873 7.691 -1.083
234 HB3 HIS 35 2HB HIS 35 3.495 9.379 -0.752
235 HD1 HIS 35 HD1 HIS 35 2.207 10.446 -3.128
236 HD2 HIS 35 HD2 HIS 35 1.664 6.478 -2.023
237 HE1 HIS 35 HE1 HIS 35 0.072 9.724 -4.244
238 H SER 36 H SER 36 6.252 7.558 -0.931
239 HA SER 36 HA SER 36 7.498 9.572 0.673
240 HB2 SER 36 1HB SER 36 8.226 6.645 0.416
241 HB3 SER 36 2HB SER 36 8.689 7.731 1.726
242 HG SER 36 HG SER 36 6.307 6.425 1.268
243 H GLY 37 H GLY 37 9.321 10.658 0.304
244 HA2 GLY 37 1HA GLY 37 11.639 9.668 -0.882
245 HA3 GLY 37 2HA GLY 37 10.704 10.437 -2.156
246 H GLU 38 H GLU 38 12.494 10.936 0.799
247 HA GLU 38 HA GLU 38 13.320 13.526 0.033
248 HB2 GLU 38 1HB GLU 38 10.909 13.919 0.771
249 HB3 GLU 38 2HB GLU 38 11.453 13.538 2.399
250 HG2 GLU 38 1HG GLU 38 12.894 15.413 2.455
251 HG3 GLU 38 2HG GLU 38 12.694 15.702 0.728
252 H LYS 39 H LYS 39 15.341 13.447 0.736
253 HA LYS 39 HA LYS 39 15.837 12.689 3.527
254 HB2 LYS 39 1HB LYS 39 16.419 10.711 2.323
255 HB3 LYS 39 2HB LYS 39 17.277 11.634 1.095
256 HG2 LYS 39 1HG LYS 39 18.752 12.375 3.133
257 HG3 LYS 39 2HG LYS 39 18.123 10.888 3.848
258 HD2 LYS 39 1HD LYS 39 18.933 9.622 1.911
259 HD3 LYS 39 2HD LYS 39 19.567 11.111 1.205
260 HE2 LYS 39 1HE LYS 39 21.284 11.260 2.723
261 HE3 LYS 39 2HE LYS 39 20.411 10.357 3.961
262 HZ1 LYS 39 3HZ LYS 39 20.902 8.743 1.675
263 HZ2 LYS 39 1HZ LYS 39 21.346 8.480 3.286
264 HZ3 LYS 39 2HZ LYS 39 22.349 9.386 2.270
265 HA PRO 40 HA PRO 40 18.211 16.397 3.585
266 HB2 PRO 40 1HB PRO 40 19.775 15.869 5.741
267 HB3 PRO 40 2HB PRO 40 18.061 16.279 5.875
268 HG2 PRO 40 1HG PRO 40 19.377 13.591 5.954
269 HG3 PRO 40 2HG PRO 40 18.075 14.229 6.974
270 HD2 PRO 40 1HD PRO 40 17.611 12.559 4.893
271 HD3 PRO 40 2HD PRO 40 16.458 13.816 5.384
272 H SER 41 H SER 41 20.587 17.078 3.817
273 HA SER 41 HA SER 41 22.159 15.380 2.030
274 HB2 SER 41 1HB SER 41 21.883 17.718 1.367
275 HB3 SER 41 2HB SER 41 22.578 18.251 2.898
276 HG SER 41 HG SER 41 23.997 16.549 1.150
277 H GLY 42 H GLY 42 22.434 17.064 5.142
278 HA2 GLY 42 1HA GLY 42 24.622 15.206 5.830
279 HA3 GLY 42 2HA GLY 42 24.739 16.920 6.202
280 HA PRO 43 HA PRO 43 22.980 16.094 10.136
281 HB2 PRO 43 1HB PRO 43 21.936 18.535 10.703
282 HB3 PRO 43 2HB PRO 43 23.672 18.202 10.733
283 HG2 PRO 43 1HG PRO 43 22.027 19.491 8.589
284 HG3 PRO 43 2HG PRO 43 23.622 19.957 9.209
285 HD2 PRO 43 1HD PRO 43 23.301 18.584 6.897
286 HD3 PRO 43 2HD PRO 43 24.716 18.367 7.948
287 H SER 44 H SER 44 21.327 14.626 9.621
288 HA SER 44 HA SER 44 18.845 15.388 8.485
289 HB2 SER 44 1HB SER 44 19.745 13.060 8.478
290 HB3 SER 44 2HB SER 44 19.429 12.970 10.211
291 HG SER 44 HG SER 44 17.739 12.559 8.183
292 H SER 45 H SER 45 16.783 15.512 9.491
293 HA SER 45 HA SER 45 16.743 17.067 11.846
294 HB2 SER 45 1HB SER 45 15.014 17.207 10.076
295 HB3 SER 45 2HB SER 45 14.442 15.601 10.528
296 HG SER 45 HG SER 45 13.608 17.825 11.519
297 H GLY 46 H GLY 46 15.777 13.696 11.233
298 HA2 GLY 46 1HA GLY 46 16.722 12.606 13.575
299 HA3 GLY 46 2HA GLY 46 15.109 13.183 13.965
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -34.110 -4.680 -1.293
2 HA2 GLY 1 1HA GLY 1 -33.595 -1.848 -1.306
3 HA3 GLY 1 2HA GLY 1 -33.819 -2.498 0.312
4 H SER 2 H SER 2 -31.955 -3.024 -2.668
5 HA SER 2 HA SER 2 -29.606 -3.577 -1.005
6 HB2 SER 2 1HB SER 2 -28.999 -5.532 -2.235
7 HB3 SER 2 2HB SER 2 -30.690 -5.738 -1.779
8 HG SER 2 HG SER 2 -29.554 -5.311 -4.286
9 H SER 3 H SER 3 -27.600 -3.144 -2.013
10 HA SER 3 HA SER 3 -27.785 -1.608 -4.520
11 HB2 SER 3 1HB SER 3 -26.355 0.078 -3.688
12 HB3 SER 3 2HB SER 3 -27.490 -0.226 -2.373
13 HG SER 3 HG SER 3 -25.939 -1.295 -1.266
14 H GLY 4 H GLY 4 -26.015 -1.726 -5.921
15 HA2 GLY 4 1HA GLY 4 -24.233 -4.013 -5.385
16 HA3 GLY 4 2HA GLY 4 -24.706 -3.457 -6.984
17 H SER 5 H SER 5 -22.843 -2.560 -4.111
18 HA SER 5 HA SER 5 -21.152 -0.873 -5.836
19 HB2 SER 5 1HB SER 5 -20.513 0.326 -3.749
20 HB3 SER 5 2HB SER 5 -22.236 0.445 -4.106
21 HG SER 5 HG SER 5 -20.992 -0.642 -1.955
22 H SER 6 H SER 6 -21.022 -2.957 -2.950
23 HA SER 6 HA SER 6 -19.215 -4.034 -1.996
24 HB2 SER 6 1HB SER 6 -18.394 -5.837 -3.458
25 HB3 SER 6 2HB SER 6 -20.143 -5.655 -3.591
26 HG SER 6 HG SER 6 -19.596 -5.659 -5.655
27 H GLY 7 H GLY 7 -18.437 -1.446 -2.634
28 HA2 GLY 7 1HA GLY 7 -16.350 -0.886 -4.236
29 HA3 GLY 7 2HA GLY 7 -16.417 -0.310 -2.577
30 H ALA 8 H ALA 8 -15.830 -2.247 -0.978
31 HA ALA 8 HA ALA 8 -13.347 -3.459 -2.006
32 HB1 ALA 8 3HB ALA 8 -13.013 -1.534 -0.427
33 HB2 ALA 8 1HB ALA 8 -13.761 -2.525 0.825
34 HB3 ALA 8 2HB ALA 8 -12.258 -3.050 0.065
35 H GLY 9 H GLY 9 -13.478 -5.600 -2.063
36 HA2 GLY 9 1HA GLY 9 -15.477 -6.999 -0.499
37 HA3 GLY 9 2HA GLY 9 -14.408 -7.705 -1.703
38 H GLU 10 H GLU 10 -12.039 -7.766 -1.022
39 HA GLU 10 HA GLU 10 -11.796 -8.282 1.862
40 HB2 GLU 10 1HB GLU 10 -10.566 -10.324 1.449
41 HB3 GLU 10 2HB GLU 10 -12.135 -10.421 0.663
42 HG2 GLU 10 1HG GLU 10 -11.079 -9.837 -1.477
43 HG3 GLU 10 2HG GLU 10 -9.510 -9.811 -0.675
44 H LYS 11 H LYS 11 -10.978 -5.965 0.476
45 HA LYS 11 HA LYS 11 -8.046 -6.225 0.622
46 HB2 LYS 11 1HB LYS 11 -9.794 -4.709 -1.268
47 HB3 LYS 11 2HB LYS 11 -8.221 -4.041 -0.855
48 HG2 LYS 11 1HG LYS 11 -7.775 -5.248 -2.769
49 HG3 LYS 11 2HG LYS 11 -7.321 -6.377 -1.491
50 HD2 LYS 11 1HD LYS 11 -8.576 -7.702 -2.925
51 HD3 LYS 11 2HD LYS 11 -9.758 -7.224 -1.704
52 HE2 LYS 11 1HE LYS 11 -10.218 -5.243 -3.339
53 HE3 LYS 11 2HE LYS 11 -9.465 -6.301 -4.532
54 HZ1 LYS 11 3HZ LYS 11 -11.231 -7.657 -4.560
55 HZ2 LYS 11 1HZ LYS 11 -12.067 -6.340 -3.906
56 HZ3 LYS 11 2HZ LYS 11 -11.485 -7.561 -2.891
57 HA PRO 12 HA PRO 12 -9.366 -3.408 4.028
58 HB2 PRO 12 1HB PRO 12 -7.524 -4.331 5.795
59 HB3 PRO 12 2HB PRO 12 -9.100 -5.097 5.563
60 HG2 PRO 12 1HG PRO 12 -6.434 -5.872 4.443
61 HG3 PRO 12 2HG PRO 12 -7.703 -6.904 5.127
62 HD2 PRO 12 1HD PRO 12 -7.345 -6.610 2.459
63 HD3 PRO 12 2HD PRO 12 -8.943 -6.883 3.184
64 H TYR 13 H TYR 13 -6.792 -3.698 1.969
65 HA TYR 13 HA TYR 13 -5.209 -1.607 3.286
66 HB2 TYR 13 1HB TYR 13 -4.417 -3.107 0.797
67 HB3 TYR 13 2HB TYR 13 -3.381 -2.243 1.928
68 HD1 TYR 13 HD1 TYR 13 -5.251 -5.337 1.320
69 HD2 TYR 13 HD2 TYR 13 -2.692 -3.265 4.015
70 HE1 TYR 13 HE1 TYR 13 -4.832 -7.438 2.528
71 HE2 TYR 13 HE2 TYR 13 -2.265 -5.360 5.230
72 HH TYR 13 HH TYR 13 -2.890 -7.502 5.482
73 H GLY 14 H GLY 14 -4.196 0.002 1.704
74 HA2 GLY 14 1HA GLY 14 -5.087 0.718 -0.752
75 HA3 GLY 14 2HA GLY 14 -6.364 1.300 0.306
76 H CYS 15 H CYS 15 -3.649 2.212 -1.269
77 HA CYS 15 HA CYS 15 -2.096 3.687 0.448
78 HB2 CYS 15 1HB CYS 15 -1.566 3.449 -1.919
79 HB3 CYS 15 2HB CYS 15 -2.964 4.427 -2.353
80 H SER 16 H SER 16 -2.852 4.941 2.035
81 HA SER 16 HA SER 16 -5.198 6.602 1.627
82 HB2 SER 16 1HB SER 16 -4.850 5.333 3.751
83 HB3 SER 16 2HB SER 16 -3.451 6.353 4.087
84 HG SER 16 HG SER 16 -5.199 8.101 3.666
85 H GLU 17 H GLU 17 -3.122 7.366 -0.030
86 HA GLU 17 HA GLU 17 -2.415 9.985 1.109
87 HB2 GLU 17 1HB GLU 17 -0.671 8.006 -0.294
88 HB3 GLU 17 2HB GLU 17 -0.361 9.720 -0.529
89 HG2 GLU 17 1HG GLU 17 -0.635 8.621 2.231
90 HG3 GLU 17 2HG GLU 17 0.875 8.422 1.343
91 H CYS 18 H CYS 18 -2.575 8.160 -1.950
92 HA CYS 18 HA CYS 18 -3.489 10.620 -3.280
93 HB2 CYS 18 1HB CYS 18 -2.712 9.679 -5.352
94 HB3 CYS 18 2HB CYS 18 -1.421 9.517 -4.165
95 H GLY 19 H GLY 19 -4.112 7.127 -3.072
96 HA2 GLY 19 1HA GLY 19 -6.533 6.594 -2.710
97 HA3 GLY 19 2HA GLY 19 -6.842 7.662 -4.071
98 H LYS 20 H LYS 20 -4.589 4.970 -3.438
99 HA LYS 20 HA LYS 20 -5.679 3.612 -5.805
100 HB2 LYS 20 1HB LYS 20 -2.817 4.295 -5.222
101 HB3 LYS 20 2HB LYS 20 -3.204 2.862 -6.165
102 HG2 LYS 20 1HG LYS 20 -4.402 4.250 -7.782
103 HG3 LYS 20 2HG LYS 20 -4.005 5.687 -6.837
104 HD2 LYS 20 1HD LYS 20 -1.716 5.512 -7.329
105 HD3 LYS 20 2HD LYS 20 -1.874 3.839 -7.872
106 HE2 LYS 20 1HE LYS 20 -3.295 4.687 -9.756
107 HE3 LYS 20 2HE LYS 20 -2.870 6.324 -9.258
108 HZ1 LYS 20 3HZ LYS 20 -0.478 5.005 -9.442
109 HZ2 LYS 20 1HZ LYS 20 -1.104 6.108 -10.562
110 HZ3 LYS 20 2HZ LYS 20 -1.354 4.449 -10.778
111 H ALA 21 H ALA 21 -6.567 1.814 -5.027
112 HA ALA 21 HA ALA 21 -5.314 0.436 -2.770
113 HB1 ALA 21 3HB ALA 21 -7.596 0.719 -2.370
114 HB2 ALA 21 1HB ALA 21 -8.035 0.291 -4.024
115 HB3 ALA 21 2HB ALA 21 -7.465 -0.954 -2.911
116 H PHE 22 H PHE 22 -4.579 -1.656 -2.863
117 HA PHE 22 HA PHE 22 -4.450 -2.866 -5.547
118 HB2 PHE 22 1HB PHE 22 -2.373 -3.000 -3.351
119 HB3 PHE 22 2HB PHE 22 -2.264 -3.806 -4.912
120 HD1 PHE 22 HD1 PHE 22 -2.296 -0.525 -3.233
121 HD2 PHE 22 HD2 PHE 22 -1.551 -2.648 -6.846
122 HE1 PHE 22 HE1 PHE 22 -1.226 1.476 -4.184
123 HE2 PHE 22 HE2 PHE 22 -0.479 -0.650 -7.803
124 HZ PHE 22 HZ PHE 22 -0.315 1.415 -6.471
125 H SER 23 H SER 23 -4.105 -5.255 -5.505
126 HA SER 23 HA SER 23 -6.139 -6.503 -4.001
127 HB2 SER 23 1HB SER 23 -3.895 -7.586 -5.701
128 HB3 SER 23 2HB SER 23 -5.050 -8.644 -4.890
129 HG SER 23 HG SER 23 -5.411 -7.704 -7.196
130 H SER 24 H SER 24 -2.593 -6.747 -3.776
131 HA SER 24 HA SER 24 -2.925 -7.875 -1.076
132 HB2 SER 24 1HB SER 24 -0.748 -8.907 -1.340
133 HB3 SER 24 2HB SER 24 -1.745 -9.322 -2.734
134 HG SER 24 HG SER 24 -0.388 -8.310 -3.975
135 H LYS 25 H LYS 25 -1.213 -7.289 0.492
136 HA LYS 25 HA LYS 25 -1.007 -4.495 0.764
137 HB2 LYS 25 1HB LYS 25 0.461 -4.993 2.685
138 HB3 LYS 25 2HB LYS 25 -1.008 -5.959 2.702
139 HG2 LYS 25 1HG LYS 25 0.103 -7.912 2.278
140 HG3 LYS 25 2HG LYS 25 1.432 -7.103 1.444
141 HD2 LYS 25 1HD LYS 25 2.426 -7.742 3.432
142 HD3 LYS 25 2HD LYS 25 1.930 -6.085 3.785
143 HE2 LYS 25 1HE LYS 25 1.234 -7.271 5.663
144 HE3 LYS 25 2HE LYS 25 -0.231 -7.151 4.689
145 HZ1 LYS 25 3HZ LYS 25 1.484 -9.498 4.328
146 HZ2 LYS 25 1HZ LYS 25 -0.197 -9.359 4.195
147 HZ3 LYS 25 2HZ LYS 25 0.528 -9.418 5.721
148 H SER 26 H SER 26 1.218 -6.923 -0.463
149 HA SER 26 HA SER 26 3.568 -5.438 -0.531
150 HB2 SER 26 1HB SER 26 2.506 -7.735 -2.124
151 HB3 SER 26 2HB SER 26 3.973 -6.929 -2.680
152 HG SER 26 HG SER 26 3.723 -7.731 0.006
153 H TYR 27 H TYR 27 1.241 -5.893 -3.198
154 HA TYR 27 HA TYR 27 2.347 -4.210 -5.058
155 HB2 TYR 27 1HB TYR 27 -0.432 -5.093 -4.467
156 HB3 TYR 27 2HB TYR 27 -0.234 -3.746 -5.583
157 HD1 TYR 27 HD2 TYR 27 1.923 -4.301 -7.266
158 HD2 TYR 27 HD1 TYR 27 -0.781 -7.095 -5.540
159 HE1 TYR 27 HE2 TYR 27 2.398 -5.879 -9.092
160 HE2 TYR 27 HE1 TYR 27 -0.314 -8.681 -7.360
161 HH TYR 27 HH TYR 27 1.788 -9.030 -9.002
162 H LEU 28 H LEU 28 0.403 -3.365 -2.254
163 HA LEU 28 HA LEU 28 0.093 -0.614 -2.946
164 HB2 LEU 28 1HB LEU 28 -1.506 -1.531 -1.474
165 HB3 LEU 28 2HB LEU 28 -0.262 -2.167 -0.400
166 HG LEU 28 HG LEU 28 0.313 0.199 0.193
167 HD11 LEU 28 1HD1 LEU 28 -1.384 1.916 -0.292
168 HD12 LEU 28 2HD1 LEU 28 -2.211 0.774 -1.351
169 HD13 LEU 28 3HD1 LEU 28 -0.584 1.324 -1.748
170 HD21 LEU 28 3HD2 LEU 28 -1.164 -1.291 1.552
171 HD22 LEU 28 1HD2 LEU 28 -2.551 -0.539 0.764
172 HD23 LEU 28 2HD2 LEU 28 -1.470 0.433 1.762
173 H ILE 29 H ILE 29 2.284 -2.392 -0.799
174 HA ILE 29 HA ILE 29 3.640 -0.218 0.298
175 HB ILE 29 HB ILE 29 4.706 -2.973 -0.329
176 HG12 ILE 29 1HG1 ILE 29 3.868 -1.962 2.373
177 HG13 ILE 29 2HG1 ILE 29 2.670 -2.602 1.253
178 HG21 ILE 29 1HG2 ILE 29 6.364 -2.441 1.469
179 HG22 ILE 29 2HG2 ILE 29 6.570 -1.522 -0.021
180 HG23 ILE 29 3HG2 ILE 29 5.823 -0.764 1.385
181 HD11 ILE 29 3HD1 ILE 29 3.788 -4.139 3.036
182 HD12 ILE 29 1HD1 ILE 29 3.470 -4.739 1.409
183 HD13 ILE 29 2HD1 ILE 29 5.095 -4.216 1.854
184 H ILE 30 H ILE 30 4.487 -2.161 -2.565
185 HA ILE 30 HA ILE 30 6.804 -0.834 -3.302
186 HB ILE 30 HB ILE 30 4.747 -1.983 -5.190
187 HG12 ILE 30 1HG1 ILE 30 7.177 -3.468 -4.284
188 HG13 ILE 30 2HG1 ILE 30 5.781 -3.404 -3.213
189 HG21 ILE 30 1HG2 ILE 30 6.411 -2.076 -6.821
190 HG22 ILE 30 2HG2 ILE 30 6.644 -0.497 -6.073
191 HG23 ILE 30 3HG2 ILE 30 7.705 -1.839 -5.647
192 HD11 ILE 30 3HD1 ILE 30 5.176 -5.253 -4.316
193 HD12 ILE 30 1HD1 ILE 30 4.598 -4.114 -5.532
194 HD13 ILE 30 2HD1 ILE 30 6.179 -4.875 -5.716
195 H HIS 31 H HIS 31 3.469 0.109 -3.718
196 HA HIS 31 HA HIS 31 4.011 2.208 -5.595
197 HB2 HIS 31 1HB HIS 31 1.822 1.310 -5.683
198 HB3 HIS 31 2HB HIS 31 1.603 1.464 -3.942
199 HD1 HIS 31 HD1 HIS 31 1.871 3.640 -7.032
200 HD2 HIS 31 HD2 HIS 31 0.416 3.788 -3.143
201 HE1 HIS 31 HE1 HIS 31 0.614 5.812 -6.866
202 H MET 32 H MET 32 3.362 2.052 -2.110
203 HA MET 32 HA MET 32 3.308 4.760 -1.535
204 HB2 MET 32 1HB MET 32 4.338 2.447 0.108
205 HB3 MET 32 2HB MET 32 4.148 4.075 0.744
206 HG2 MET 32 1HG MET 32 1.975 2.286 -0.315
207 HG3 MET 32 2HG MET 32 2.256 2.737 1.365
208 HE1 MET 32 3HE MET 32 2.065 5.304 2.224
209 HE2 MET 32 1HE MET 32 0.457 5.933 1.862
210 HE3 MET 32 2HE MET 32 0.649 4.270 2.417
211 H ARG 33 H ARG 33 5.924 2.856 -2.616
212 HA ARG 33 HA ARG 33 8.141 4.053 -1.474
213 HB2 ARG 33 1HB ARG 33 7.676 2.873 -4.202
214 HB3 ARG 33 2HB ARG 33 9.242 3.529 -3.746
215 HG2 ARG 33 1HG ARG 33 9.286 1.964 -1.827
216 HG3 ARG 33 2HG ARG 33 7.783 1.255 -2.421
217 HD2 ARG 33 1HD ARG 33 9.729 -0.050 -3.122
218 HD3 ARG 33 2HD ARG 33 8.881 0.640 -4.505
219 HE ARG 33 HE ARG 33 11.545 1.295 -3.585
220 HH11 ARG 33 1HH1 ARG 33 8.831 2.218 -5.561
221 HH12 ARG 33 2HH1 ARG 33 9.767 3.244 -6.596
222 HH21 ARG 33 1HH2 ARG 33 12.788 2.644 -4.941
223 HH22 ARG 33 2HH2 ARG 33 12.017 3.485 -6.243
224 H THR 34 H THR 34 6.001 5.253 -3.956
225 HA THR 34 HA THR 34 7.723 7.444 -4.698
226 HB THR 34 HB THR 34 6.194 6.492 -6.357
227 HG1 THR 34 HG1 THR 34 5.354 9.134 -5.712
228 HG21 THR 34 3HG2 THR 34 4.323 6.619 -4.245
229 HG22 THR 34 1HG2 THR 34 4.076 5.998 -5.876
230 HG23 THR 34 2HG2 THR 34 3.736 7.691 -5.516
231 H HIS 35 H HIS 35 5.304 6.841 -2.325
232 HA HIS 35 HA HIS 35 4.795 9.666 -1.847
233 HB2 HIS 35 1HB HIS 35 3.725 7.133 -0.606
234 HB3 HIS 35 2HB HIS 35 3.353 8.729 0.038
235 HD1 HIS 35 HD1 HIS 35 2.702 10.325 -2.411
236 HD2 HIS 35 HD2 HIS 35 1.498 6.378 -1.934
237 HE1 HIS 35 HE1 HIS 35 0.724 10.037 -3.937
238 H SER 36 H SER 36 6.899 10.320 -1.226
239 HA SER 36 HA SER 36 7.374 10.244 1.559
240 HB2 SER 36 1HB SER 36 9.498 9.022 1.596
241 HB3 SER 36 2HB SER 36 8.194 7.974 1.040
242 HG SER 36 HG SER 36 8.957 8.097 -1.009
243 H GLY 37 H GLY 37 8.134 12.209 1.946
244 HA2 GLY 37 1HA GLY 37 10.402 13.242 0.486
245 HA3 GLY 37 2HA GLY 37 8.906 14.113 0.182
246 H GLU 38 H GLU 38 10.722 12.833 2.975
247 HA GLU 38 HA GLU 38 10.097 15.342 4.387
248 HB2 GLU 38 1HB GLU 38 10.228 14.137 6.465
249 HB3 GLU 38 2HB GLU 38 9.133 13.278 5.392
250 HG2 GLU 38 1HG GLU 38 12.021 12.521 5.676
251 HG3 GLU 38 2HG GLU 38 10.764 11.884 6.735
252 H LYS 39 H LYS 39 11.722 16.364 5.577
253 HA LYS 39 HA LYS 39 14.377 15.341 5.756
254 HB2 LYS 39 1HB LYS 39 13.957 16.218 3.289
255 HB3 LYS 39 2HB LYS 39 14.265 17.779 4.039
256 HG2 LYS 39 1HG LYS 39 16.452 17.163 4.661
257 HG3 LYS 39 2HG LYS 39 16.149 15.458 4.321
258 HD2 LYS 39 1HD LYS 39 15.803 16.109 1.915
259 HD3 LYS 39 2HD LYS 39 16.388 17.719 2.343
260 HE2 LYS 39 1HE LYS 39 18.293 16.643 1.549
261 HE3 LYS 39 2HE LYS 39 18.435 16.488 3.299
262 HZ1 LYS 39 3HZ LYS 39 17.013 14.281 2.471
263 HZ2 LYS 39 1HZ LYS 39 18.627 14.318 2.976
264 HZ3 LYS 39 2HZ LYS 39 18.252 14.451 1.332
265 HA PRO 40 HA PRO 40 14.311 18.271 9.048
266 HB2 PRO 40 1HB PRO 40 16.963 18.292 9.627
267 HB3 PRO 40 2HB PRO 40 15.898 16.946 10.051
268 HG2 PRO 40 1HG PRO 40 17.776 17.218 7.736
269 HG3 PRO 40 2HG PRO 40 17.492 15.819 8.788
270 HD2 PRO 40 1HD PRO 40 16.397 16.033 6.321
271 HD3 PRO 40 2HD PRO 40 15.580 15.200 7.658
272 H SER 41 H SER 41 17.032 18.684 6.772
273 HA SER 41 HA SER 41 16.510 21.584 6.826
274 HB2 SER 41 1HB SER 41 18.591 21.239 7.956
275 HB3 SER 41 2HB SER 41 19.152 20.121 6.713
276 HG SER 41 HG SER 41 19.308 22.825 6.793
277 H GLY 42 H GLY 42 16.443 22.654 4.900
278 HA2 GLY 42 1HA GLY 42 16.114 21.035 2.534
279 HA3 GLY 42 2HA GLY 42 15.886 22.774 2.652
280 HA PRO 43 HA PRO 43 20.108 21.452 0.764
281 HB2 PRO 43 1HB PRO 43 19.471 21.349 -1.873
282 HB3 PRO 43 2HB PRO 43 19.416 19.934 -0.816
283 HG2 PRO 43 1HG PRO 43 17.182 21.704 -1.730
284 HG3 PRO 43 2HG PRO 43 17.229 19.936 -1.605
285 HD2 PRO 43 1HD PRO 43 16.040 21.497 0.261
286 HD3 PRO 43 2HD PRO 43 16.831 19.960 0.665
287 H SER 44 H SER 44 17.644 23.770 0.289
288 HA SER 44 HA SER 44 18.592 25.544 -1.554
289 HB2 SER 44 1HB SER 44 17.493 26.373 1.140
290 HB3 SER 44 2HB SER 44 17.419 27.285 -0.368
291 HG SER 44 HG SER 44 15.645 26.260 -0.779
292 H SER 45 H SER 45 20.831 25.602 -1.668
293 HA SER 45 HA SER 45 22.996 26.057 -1.024
294 HB2 SER 45 1HB SER 45 21.847 28.260 -1.673
295 HB3 SER 45 2HB SER 45 21.786 28.600 0.056
296 HG SER 45 HG SER 45 24.206 27.942 -0.230
297 H GLY 46 H GLY 46 21.935 24.410 0.876
298 HA2 GLY 46 1HA GLY 46 23.538 25.041 3.148
299 HA3 GLY 46 2HA GLY 46 21.830 25.256 3.504
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -18.597 19.568 -3.974
2 HA2 GLY 1 1HA GLY 1 -16.745 19.054 -6.207
3 HA3 GLY 1 2HA GLY 1 -16.578 18.404 -4.583
4 H SER 2 H SER 2 -16.268 16.410 -5.941
5 HA SER 2 HA SER 2 -18.878 15.197 -6.580
6 HB2 SER 2 1HB SER 2 -17.350 15.434 -8.528
7 HB3 SER 2 2HB SER 2 -16.167 14.429 -7.691
8 HG SER 2 HG SER 2 -17.208 12.891 -8.704
9 H SER 3 H SER 3 -19.105 12.911 -6.122
10 HA SER 3 HA SER 3 -18.131 12.254 -3.521
11 HB2 SER 3 1HB SER 3 -19.619 10.481 -5.471
12 HB3 SER 3 2HB SER 3 -19.466 10.236 -3.731
13 HG SER 3 HG SER 3 -21.331 11.584 -4.986
14 H GLY 4 H GLY 4 -15.844 12.233 -3.858
15 HA2 GLY 4 1HA GLY 4 -14.537 10.549 -5.703
16 HA3 GLY 4 2HA GLY 4 -13.822 11.217 -4.243
17 H SER 5 H SER 5 -12.727 9.428 -3.562
18 HA SER 5 HA SER 5 -14.300 6.989 -3.082
19 HB2 SER 5 1HB SER 5 -12.243 6.799 -4.511
20 HB3 SER 5 2HB SER 5 -11.287 7.267 -3.105
21 HG SER 5 HG SER 5 -11.907 5.406 -2.074
22 H SER 6 H SER 6 -15.239 7.898 -1.162
23 HA SER 6 HA SER 6 -13.527 8.598 1.051
24 HB2 SER 6 1HB SER 6 -15.579 8.981 2.281
25 HB3 SER 6 2HB SER 6 -15.748 9.677 0.669
26 HG SER 6 HG SER 6 -17.593 8.475 1.252
27 H GLY 7 H GLY 7 -12.525 7.119 2.235
28 HA2 GLY 7 1HA GLY 7 -12.596 5.362 3.843
29 HA3 GLY 7 2HA GLY 7 -14.004 4.707 3.020
30 H ALA 8 H ALA 8 -13.427 2.705 2.441
31 HA ALA 8 HA ALA 8 -11.268 2.415 0.517
32 HB1 ALA 8 3HB ALA 8 -11.314 0.766 3.042
33 HB2 ALA 8 1HB ALA 8 -10.185 0.593 1.698
34 HB3 ALA 8 2HB ALA 8 -10.166 2.056 2.682
35 H GLY 9 H GLY 9 -11.447 0.560 -0.786
36 HA2 GLY 9 1HA GLY 9 -14.122 -0.385 -1.127
37 HA3 GLY 9 2HA GLY 9 -12.713 -0.898 -2.044
38 H GLU 10 H GLU 10 -13.434 -3.063 -1.982
39 HA GLU 10 HA GLU 10 -13.699 -4.369 0.594
40 HB2 GLU 10 1HB GLU 10 -13.836 -5.464 -2.221
41 HB3 GLU 10 2HB GLU 10 -14.143 -6.401 -0.765
42 HG2 GLU 10 1HG GLU 10 -16.062 -5.062 -0.239
43 HG3 GLU 10 2HG GLU 10 -15.713 -3.966 -1.574
44 H LYS 11 H LYS 11 -11.188 -3.283 0.326
45 HA LYS 11 HA LYS 11 -9.539 -5.700 0.319
46 HB2 LYS 11 1HB LYS 11 -8.801 -3.146 -1.122
47 HB3 LYS 11 2HB LYS 11 -7.731 -4.522 -0.887
48 HG2 LYS 11 1HG LYS 11 -9.076 -5.905 -2.283
49 HG3 LYS 11 2HG LYS 11 -10.348 -4.683 -2.362
50 HD2 LYS 11 1HD LYS 11 -8.364 -3.209 -3.314
51 HD3 LYS 11 2HD LYS 11 -7.719 -4.792 -3.751
52 HE2 LYS 11 1HE LYS 11 -9.809 -5.302 -4.933
53 HE3 LYS 11 2HE LYS 11 -10.430 -3.707 -4.510
54 HZ1 LYS 11 3HZ LYS 11 -7.864 -3.623 -5.798
55 HZ2 LYS 11 1HZ LYS 11 -9.275 -2.756 -6.143
56 HZ3 LYS 11 2HZ LYS 11 -9.066 -4.313 -6.768
57 HA PRO 12 HA PRO 12 -8.096 -3.970 4.108
58 HB2 PRO 12 1HB PRO 12 -5.839 -5.451 4.392
59 HB3 PRO 12 2HB PRO 12 -7.458 -6.107 4.659
60 HG2 PRO 12 1HG PRO 12 -5.693 -6.342 2.253
61 HG3 PRO 12 2HG PRO 12 -6.685 -7.584 3.038
62 HD2 PRO 12 1HD PRO 12 -7.474 -6.296 0.791
63 HD3 PRO 12 2HD PRO 12 -8.623 -6.859 2.022
64 H TYR 13 H TYR 13 -6.000 -4.153 1.289
65 HA TYR 13 HA TYR 13 -4.234 -2.104 2.406
66 HB2 TYR 13 1HB TYR 13 -3.882 -3.422 -0.274
67 HB3 TYR 13 2HB TYR 13 -2.660 -2.692 0.762
68 HD1 TYR 13 HD2 TYR 13 -1.977 -3.879 2.865
69 HD2 TYR 13 HD1 TYR 13 -4.449 -5.712 -0.074
70 HE1 TYR 13 HE2 TYR 13 -1.456 -6.088 3.812
71 HE2 TYR 13 HE1 TYR 13 -3.935 -7.926 0.866
72 HH TYR 13 HH TYR 13 -3.185 -8.790 3.236
73 H GLY 14 H GLY 14 -5.458 -0.242 2.260
74 HA2 GLY 14 1HA GLY 14 -6.044 0.646 -0.497
75 HA3 GLY 14 2HA GLY 14 -7.142 0.974 0.835
76 H CYS 15 H CYS 15 -4.086 1.785 -0.641
77 HA CYS 15 HA CYS 15 -2.869 3.449 1.113
78 HB2 CYS 15 1HB CYS 15 -1.814 3.217 -0.965
79 HB3 CYS 15 2HB CYS 15 -3.258 3.686 -1.856
80 H SER 16 H SER 16 -3.163 5.431 1.993
81 HA SER 16 HA SER 16 -5.762 6.703 1.515
82 HB2 SER 16 1HB SER 16 -5.128 6.007 3.849
83 HB3 SER 16 2HB SER 16 -3.841 7.211 3.796
84 HG SER 16 HG SER 16 -5.643 8.131 4.748
85 H GLU 17 H GLU 17 -2.335 7.218 1.282
86 HA GLU 17 HA GLU 17 -2.085 9.947 1.230
87 HB2 GLU 17 1HB GLU 17 -0.698 7.742 -0.229
88 HB3 GLU 17 2HB GLU 17 -0.354 9.402 -0.693
89 HG2 GLU 17 1HG GLU 17 1.167 8.296 1.031
90 HG3 GLU 17 2HG GLU 17 0.574 9.921 1.372
91 H CYS 18 H CYS 18 -3.125 7.836 -1.423
92 HA CYS 18 HA CYS 18 -4.240 10.209 -2.759
93 HB2 CYS 18 1HB CYS 18 -3.502 9.499 -4.881
94 HB3 CYS 18 2HB CYS 18 -2.109 9.274 -3.829
95 H GLY 19 H GLY 19 -4.378 6.704 -2.319
96 HA2 GLY 19 1HA GLY 19 -6.656 5.873 -1.742
97 HA3 GLY 19 2HA GLY 19 -7.224 6.813 -3.113
98 H LYS 20 H LYS 20 -4.237 4.994 -3.171
99 HA LYS 20 HA LYS 20 -5.280 3.409 -5.378
100 HB2 LYS 20 1HB LYS 20 -2.933 4.609 -5.168
101 HB3 LYS 20 2HB LYS 20 -2.490 3.115 -4.352
102 HG2 LYS 20 1HG LYS 20 -1.886 2.786 -6.584
103 HG3 LYS 20 2HG LYS 20 -3.408 1.913 -6.398
104 HD2 LYS 20 1HD LYS 20 -4.474 4.148 -7.207
105 HD3 LYS 20 2HD LYS 20 -2.855 4.482 -7.827
106 HE2 LYS 20 1HE LYS 20 -3.835 3.461 -9.642
107 HE3 LYS 20 2HE LYS 20 -3.065 2.089 -8.847
108 HZ1 LYS 20 3HZ LYS 20 -5.169 1.299 -9.244
109 HZ2 LYS 20 1HZ LYS 20 -5.917 2.793 -8.978
110 HZ3 LYS 20 2HZ LYS 20 -5.346 1.888 -7.668
111 H ALA 21 H ALA 21 -6.324 1.598 -4.878
112 HA ALA 21 HA ALA 21 -5.615 0.111 -2.472
113 HB1 ALA 21 3HB ALA 21 -7.979 0.566 -2.918
114 HB2 ALA 21 1HB ALA 21 -7.866 -0.336 -4.430
115 HB3 ALA 21 2HB ALA 21 -7.646 -1.166 -2.889
116 H PHE 22 H PHE 22 -5.355 -2.231 -2.560
117 HA PHE 22 HA PHE 22 -4.544 -3.357 -5.117
118 HB2 PHE 22 1HB PHE 22 -2.652 -3.263 -2.758
119 HB3 PHE 22 2HB PHE 22 -2.353 -4.070 -4.294
120 HD1 PHE 22 HD1 PHE 22 -2.853 -0.771 -2.708
121 HD2 PHE 22 HD2 PHE 22 -1.509 -2.892 -6.145
122 HE1 PHE 22 HE1 PHE 22 -1.872 1.302 -3.599
123 HE2 PHE 22 HE2 PHE 22 -0.526 -0.823 -7.041
124 HZ PHE 22 HZ PHE 22 -0.706 1.278 -5.768
125 H SER 23 H SER 23 -3.531 -5.705 -4.477
126 HA SER 23 HA SER 23 -5.627 -6.949 -2.830
127 HB2 SER 23 1HB SER 23 -3.913 -8.172 -5.007
128 HB3 SER 23 2HB SER 23 -5.180 -9.006 -4.109
129 HG SER 23 HG SER 23 -5.861 -6.622 -5.382
130 H SER 24 H SER 24 -2.155 -6.940 -3.477
131 HA SER 24 HA SER 24 -1.735 -8.558 -1.057
132 HB2 SER 24 1HB SER 24 0.214 -7.976 -3.299
133 HB3 SER 24 2HB SER 24 0.479 -9.072 -1.943
134 HG SER 24 HG SER 24 -0.999 -9.427 -4.251
135 H LYS 25 H LYS 25 0.117 -7.977 0.305
136 HA LYS 25 HA LYS 25 0.065 -5.197 0.959
137 HB2 LYS 25 1HB LYS 25 0.248 -6.915 2.693
138 HB3 LYS 25 2HB LYS 25 1.793 -7.434 2.033
139 HG2 LYS 25 1HG LYS 25 1.487 -4.593 2.851
140 HG3 LYS 25 2HG LYS 25 1.656 -5.824 4.105
141 HD2 LYS 25 1HD LYS 25 3.553 -5.887 1.816
142 HD3 LYS 25 2HD LYS 25 3.759 -4.622 3.029
143 HE2 LYS 25 1HE LYS 25 3.555 -6.588 4.721
144 HE3 LYS 25 2HE LYS 25 3.961 -7.591 3.329
145 HZ1 LYS 25 3HZ LYS 25 5.700 -5.345 3.552
146 HZ2 LYS 25 1HZ LYS 25 6.079 -6.992 3.468
147 HZ3 LYS 25 2HZ LYS 25 5.725 -6.280 4.961
148 H SER 26 H SER 26 2.318 -7.330 -0.680
149 HA SER 26 HA SER 26 4.533 -5.572 -0.701
150 HB2 SER 26 1HB SER 26 3.774 -7.888 -2.487
151 HB3 SER 26 2HB SER 26 5.297 -7.012 -2.642
152 HG SER 26 HG SER 26 4.605 -7.936 -0.108
153 H TYR 27 H TYR 27 1.826 -6.057 -2.909
154 HA TYR 27 HA TYR 27 2.725 -4.469 -5.029
155 HB2 TYR 27 1HB TYR 27 0.040 -5.370 -4.074
156 HB3 TYR 27 2HB TYR 27 0.122 -4.134 -5.325
157 HD1 TYR 27 HD2 TYR 27 2.331 -4.952 -6.993
158 HD2 TYR 27 HD1 TYR 27 -0.605 -7.356 -5.069
159 HE1 TYR 27 HE2 TYR 27 2.647 -6.695 -8.700
160 HE2 TYR 27 HE1 TYR 27 -0.296 -9.105 -6.769
161 HH TYR 27 HH TYR 27 0.563 -9.079 -9.302
162 H LEU 28 H LEU 28 0.769 -3.615 -2.191
163 HA LEU 28 HA LEU 28 0.262 -0.955 -2.804
164 HB2 LEU 28 1HB LEU 28 -0.846 -2.002 -0.970
165 HB3 LEU 28 2HB LEU 28 0.683 -2.315 -0.152
166 HG LEU 28 HG LEU 28 0.920 0.226 0.001
167 HD11 LEU 28 1HD1 LEU 28 -2.040 0.080 -0.549
168 HD12 LEU 28 2HD1 LEU 28 -0.833 0.743 -1.651
169 HD13 LEU 28 3HD1 LEU 28 -1.121 1.514 -0.091
170 HD21 LEU 28 3HD2 LEU 28 -0.172 0.266 2.072
171 HD22 LEU 28 1HD2 LEU 28 0.247 -1.430 1.825
172 HD23 LEU 28 2HD2 LEU 28 -1.405 -0.881 1.545
173 H ILE 29 H ILE 29 2.999 -2.335 -1.001
174 HA ILE 29 HA ILE 29 4.345 -0.047 -0.303
175 HB ILE 29 HB ILE 29 5.544 -2.650 -1.257
176 HG12 ILE 29 1HG1 ILE 29 5.300 -1.738 1.595
177 HG13 ILE 29 2HG1 ILE 29 3.941 -2.519 0.793
178 HG21 ILE 29 1HG2 ILE 29 7.546 -1.944 0.012
179 HG22 ILE 29 2HG2 ILE 29 7.210 -0.913 -1.378
180 HG23 ILE 29 3HG2 ILE 29 6.804 -0.362 0.247
181 HD11 ILE 29 3HD1 ILE 29 4.828 -4.519 1.112
182 HD12 ILE 29 1HD1 ILE 29 6.356 -4.022 0.386
183 HD13 ILE 29 2HD1 ILE 29 6.064 -3.745 2.104
184 H ILE 30 H ILE 30 4.934 -1.922 -3.284
185 HA ILE 30 HA ILE 30 6.750 -0.311 -4.527
186 HB ILE 30 HB ILE 30 4.436 -1.748 -5.830
187 HG12 ILE 30 1HG1 ILE 30 7.320 -2.605 -5.543
188 HG13 ILE 30 2HG1 ILE 30 6.040 -3.111 -4.446
189 HG21 ILE 30 1HG2 ILE 30 6.001 -1.731 -7.833
190 HG22 ILE 30 2HG2 ILE 30 5.202 -0.211 -7.435
191 HG23 ILE 30 3HG2 ILE 30 6.890 -0.462 -6.991
192 HD11 ILE 30 3HD1 ILE 30 4.867 -3.940 -6.595
193 HD12 ILE 30 1HD1 ILE 30 6.479 -3.843 -7.303
194 HD13 ILE 30 2HD1 ILE 30 6.190 -4.883 -5.908
195 H HIS 31 H HIS 31 3.415 0.370 -3.933
196 HA HIS 31 HA HIS 31 3.382 2.614 -5.795
197 HB2 HIS 31 1HB HIS 31 1.348 1.394 -5.787
198 HB3 HIS 31 2HB HIS 31 1.286 1.359 -4.028
199 HD1 HIS 31 HD1 HIS 31 0.906 3.797 -6.899
200 HD2 HIS 31 HD2 HIS 31 -0.105 3.415 -2.887
201 HE1 HIS 31 HE1 HIS 31 -0.615 5.737 -6.402
202 H MET 32 H MET 32 3.314 1.971 -2.324
203 HA MET 32 HA MET 32 3.029 4.709 -1.567
204 HB2 MET 32 1HB MET 32 3.899 2.259 -0.032
205 HB3 MET 32 2HB MET 32 3.718 3.847 0.702
206 HG2 MET 32 1HG MET 32 1.545 2.251 -0.635
207 HG3 MET 32 2HG MET 32 1.764 2.471 1.100
208 HE1 MET 32 3HE MET 32 0.082 4.669 2.288
209 HE2 MET 32 1HE MET 32 1.840 4.520 2.247
210 HE3 MET 32 2HE MET 32 1.073 6.045 1.802
211 H ARG 33 H ARG 33 5.640 2.823 -2.665
212 HA ARG 33 HA ARG 33 7.816 3.903 -1.305
213 HB2 ARG 33 1HB ARG 33 9.164 2.994 -2.978
214 HB3 ARG 33 2HB ARG 33 7.724 1.986 -3.033
215 HG2 ARG 33 1HG ARG 33 6.905 3.191 -4.958
216 HG3 ARG 33 2HG ARG 33 8.270 4.307 -4.871
217 HD2 ARG 33 1HD ARG 33 9.804 2.420 -5.257
218 HD3 ARG 33 2HD ARG 33 8.417 1.340 -5.398
219 HE ARG 33 HE ARG 33 7.913 3.240 -7.255
220 HH11 ARG 33 1HH1 ARG 33 10.667 1.219 -6.586
221 HH12 ARG 33 2HH1 ARG 33 11.184 1.152 -8.238
222 HH21 ARG 33 1HH2 ARG 33 8.584 3.160 -9.434
223 HH22 ARG 33 2HH2 ARG 33 9.999 2.258 -9.857
224 H THR 34 H THR 34 5.873 5.221 -3.888
225 HA THR 34 HA THR 34 7.696 7.453 -4.301
226 HB THR 34 HB THR 34 6.727 6.687 -6.320
227 HG1 THR 34 HG1 THR 34 4.998 8.846 -5.789
228 HG21 THR 34 3HG2 THR 34 4.156 6.689 -4.775
229 HG22 THR 34 1HG2 THR 34 4.890 5.385 -5.708
230 HG23 THR 34 2HG2 THR 34 4.153 6.757 -6.537
231 H HIS 35 H HIS 35 5.158 6.674 -2.246
232 HA HIS 35 HA HIS 35 4.127 9.376 -1.993
233 HB2 HIS 35 1HB HIS 35 3.420 6.712 -0.843
234 HB3 HIS 35 2HB HIS 35 2.916 8.160 0.023
235 HD1 HIS 35 HD1 HIS 35 1.993 9.973 -2.189
236 HD2 HIS 35 HD2 HIS 35 1.200 5.895 -2.150
237 HE1 HIS 35 HE1 HIS 35 -0.026 9.666 -3.657
238 H SER 36 H SER 36 5.931 7.049 -0.004
239 HA SER 36 HA SER 36 6.456 9.104 1.991
240 HB2 SER 36 1HB SER 36 6.973 6.141 1.855
241 HB3 SER 36 2HB SER 36 7.729 7.144 3.093
242 HG SER 36 HG SER 36 5.871 7.331 4.080
243 H GLY 37 H GLY 37 8.598 9.653 2.673
244 HA2 GLY 37 1HA GLY 37 11.037 9.184 2.150
245 HA3 GLY 37 2HA GLY 37 10.557 9.423 0.476
246 H GLU 38 H GLU 38 11.868 11.179 0.090
247 HA GLU 38 HA GLU 38 11.719 13.495 1.832
248 HB2 GLU 38 1HB GLU 38 13.262 12.982 -0.714
249 HB3 GLU 38 2HB GLU 38 13.355 14.474 0.212
250 HG2 GLU 38 1HG GLU 38 13.880 11.916 1.622
251 HG3 GLU 38 2HG GLU 38 15.108 12.534 0.518
252 H LYS 39 H LYS 39 9.894 14.644 1.656
253 HA LYS 39 HA LYS 39 9.081 15.503 -1.041
254 HB2 LYS 39 1HB LYS 39 7.576 13.796 0.317
255 HB3 LYS 39 2HB LYS 39 7.038 15.264 1.123
256 HG2 LYS 39 1HG LYS 39 5.501 15.176 -0.541
257 HG3 LYS 39 2HG LYS 39 6.757 16.096 -1.373
258 HD2 LYS 39 1HD LYS 39 6.832 13.123 -1.529
259 HD3 LYS 39 2HD LYS 39 5.629 13.986 -2.489
260 HE2 LYS 39 1HE LYS 39 8.623 14.303 -2.575
261 HE3 LYS 39 2HE LYS 39 7.573 13.675 -3.844
262 HZ1 LYS 39 3HZ LYS 39 8.186 16.403 -3.149
263 HZ2 LYS 39 1HZ LYS 39 6.535 16.118 -3.384
264 HZ3 LYS 39 2HZ LYS 39 7.639 15.756 -4.613
265 HA PRO 40 HA PRO 40 10.032 19.219 1.522
266 HB2 PRO 40 1HB PRO 40 11.187 20.593 -0.515
267 HB3 PRO 40 2HB PRO 40 12.073 19.440 0.490
268 HG2 PRO 40 1HG PRO 40 10.885 19.060 -2.231
269 HG3 PRO 40 2HG PRO 40 12.459 18.525 -1.613
270 HD2 PRO 40 1HD PRO 40 10.332 16.861 -1.817
271 HD3 PRO 40 2HD PRO 40 11.557 16.694 -0.543
272 H SER 41 H SER 41 7.893 18.393 -0.840
273 HA SER 41 HA SER 41 6.988 21.070 -1.502
274 HB2 SER 41 1HB SER 41 6.945 19.148 -3.143
275 HB3 SER 41 2HB SER 41 5.646 18.445 -2.179
276 HG SER 41 HG SER 41 4.546 20.521 -2.525
277 H GLY 42 H GLY 42 6.895 20.819 1.184
278 HA2 GLY 42 1HA GLY 42 5.325 21.520 2.774
279 HA3 GLY 42 2HA GLY 42 4.036 21.027 1.686
280 HA PRO 43 HA PRO 43 5.645 17.125 4.113
281 HB2 PRO 43 1HB PRO 43 6.851 17.707 6.475
282 HB3 PRO 43 2HB PRO 43 7.745 17.513 4.962
283 HG2 PRO 43 1HG PRO 43 6.869 20.024 6.336
284 HG3 PRO 43 2HG PRO 43 8.420 19.656 5.559
285 HD2 PRO 43 1HD PRO 43 6.497 21.127 4.347
286 HD3 PRO 43 2HD PRO 43 7.604 20.072 3.444
287 H SER 44 H SER 44 3.878 19.798 4.947
288 HA SER 44 HA SER 44 2.764 18.766 7.417
289 HB2 SER 44 1HB SER 44 3.077 21.211 7.053
290 HB3 SER 44 2HB SER 44 1.873 21.143 5.767
291 HG SER 44 HG SER 44 0.906 21.775 7.708
292 H SER 45 H SER 45 2.277 16.759 5.944
293 HA SER 45 HA SER 45 0.718 15.388 5.013
294 HB2 SER 45 1HB SER 45 -0.513 16.219 7.079
295 HB3 SER 45 2HB SER 45 -1.348 17.351 6.015
296 HG SER 45 HG SER 45 -1.309 14.678 5.242
297 H GLY 46 H GLY 46 1.858 16.972 3.165
298 HA2 GLY 46 1HA GLY 46 0.186 18.630 1.651
299 HA3 GLY 46 2HA GLY 46 1.589 17.772 1.032
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -30.379 0.078 13.162
2 HA2 GLY 1 1HA GLY 1 -27.748 -0.499 14.176
3 HA3 GLY 1 2HA GLY 1 -28.961 -1.645 14.726
4 H SER 2 H SER 2 -26.722 -2.296 13.118
5 HA SER 2 HA SER 2 -28.112 -3.208 10.690
6 HB2 SER 2 1HB SER 2 -25.235 -2.274 10.844
7 HB3 SER 2 2HB SER 2 -26.024 -2.942 9.414
8 HG SER 2 HG SER 2 -27.608 -1.075 10.017
9 H SER 3 H SER 3 -27.468 -5.239 9.877
10 HA SER 3 HA SER 3 -25.882 -6.864 11.756
11 HB2 SER 3 1HB SER 3 -27.369 -8.774 11.195
12 HB3 SER 3 2HB SER 3 -28.233 -7.453 11.982
13 HG SER 3 HG SER 3 -28.412 -8.399 9.375
14 H GLY 4 H GLY 4 -24.037 -7.428 10.816
15 HA2 GLY 4 1HA GLY 4 -22.552 -8.247 9.268
16 HA3 GLY 4 2HA GLY 4 -23.936 -8.946 8.441
17 H SER 5 H SER 5 -21.643 -6.382 8.506
18 HA SER 5 HA SER 5 -22.768 -5.354 5.985
19 HB2 SER 5 1HB SER 5 -21.881 -3.104 6.636
20 HB3 SER 5 2HB SER 5 -23.182 -3.679 7.679
21 HG SER 5 HG SER 5 -21.561 -4.343 9.170
22 H SER 6 H SER 6 -21.439 -5.699 4.347
23 HA SER 6 HA SER 6 -19.559 -6.006 3.104
24 HB2 SER 6 1HB SER 6 -19.080 -3.714 4.209
25 HB3 SER 6 2HB SER 6 -17.962 -4.608 5.239
26 HG SER 6 HG SER 6 -16.636 -4.290 3.634
27 H GLY 7 H GLY 7 -20.295 -8.111 4.752
28 HA2 GLY 7 1HA GLY 7 -19.485 -9.936 5.944
29 HA3 GLY 7 2HA GLY 7 -18.333 -9.926 4.617
30 H ALA 8 H ALA 8 -16.521 -10.574 5.667
31 HA ALA 8 HA ALA 8 -15.760 -9.462 8.210
32 HB1 ALA 8 3HB ALA 8 -14.789 -11.584 6.429
33 HB2 ALA 8 1HB ALA 8 -13.535 -10.749 7.346
34 HB3 ALA 8 2HB ALA 8 -14.875 -11.527 8.189
35 H GLY 9 H GLY 9 -14.596 -9.199 4.862
36 HA2 GLY 9 1HA GLY 9 -13.972 -6.879 4.199
37 HA3 GLY 9 2HA GLY 9 -13.060 -6.816 5.700
38 H GLU 10 H GLU 10 -13.034 -7.710 2.403
39 HA GLU 10 HA GLU 10 -10.390 -8.965 2.725
40 HB2 GLU 10 1HB GLU 10 -12.472 -9.274 0.563
41 HB3 GLU 10 2HB GLU 10 -10.824 -9.863 0.396
42 HG2 GLU 10 1HG GLU 10 -12.727 -10.700 2.571
43 HG3 GLU 10 2HG GLU 10 -12.435 -11.601 1.084
44 H LYS 11 H LYS 11 -8.676 -8.290 1.446
45 HA LYS 11 HA LYS 11 -7.356 -6.749 0.412
46 HB2 LYS 11 1HB LYS 11 -9.883 -6.529 -1.218
47 HB3 LYS 11 2HB LYS 11 -8.414 -5.655 -1.631
48 HG2 LYS 11 1HG LYS 11 -7.286 -7.559 -2.240
49 HG3 LYS 11 2HG LYS 11 -8.283 -8.604 -1.225
50 HD2 LYS 11 1HD LYS 11 -9.560 -7.167 -3.504
51 HD3 LYS 11 2HD LYS 11 -8.561 -8.583 -3.843
52 HE2 LYS 11 1HE LYS 11 -10.617 -9.566 -3.575
53 HE3 LYS 11 2HE LYS 11 -9.993 -9.661 -1.929
54 HZ1 LYS 11 3HZ LYS 11 -12.378 -8.697 -2.485
55 HZ2 LYS 11 1HZ LYS 11 -11.493 -7.264 -2.641
56 HZ3 LYS 11 2HZ LYS 11 -11.458 -8.125 -1.186
57 HA PRO 12 HA PRO 12 -9.727 -3.279 2.655
58 HB2 PRO 12 1HB PRO 12 -8.424 -3.399 5.033
59 HB3 PRO 12 2HB PRO 12 -9.904 -4.307 4.702
60 HG2 PRO 12 1HG PRO 12 -7.058 -5.232 4.629
61 HG3 PRO 12 2HG PRO 12 -8.484 -6.050 5.295
62 HD2 PRO 12 1HD PRO 12 -7.444 -6.675 2.874
63 HD3 PRO 12 2HD PRO 12 -9.180 -6.792 3.227
64 H TYR 13 H TYR 13 -6.700 -4.097 1.570
65 HA TYR 13 HA TYR 13 -5.149 -1.943 2.604
66 HB2 TYR 13 1HB TYR 13 -4.602 -3.386 0.017
67 HB3 TYR 13 2HB TYR 13 -3.446 -2.649 1.120
68 HD1 TYR 13 HD2 TYR 13 -3.127 -3.721 3.408
69 HD2 TYR 13 HD1 TYR 13 -5.175 -5.653 0.218
70 HE1 TYR 13 HE2 TYR 13 -2.798 -5.891 4.518
71 HE2 TYR 13 HE1 TYR 13 -4.852 -7.828 1.320
72 HH TYR 13 HH TYR 13 -3.363 -8.064 4.518
73 H GLY 14 H GLY 14 -4.290 -0.152 1.350
74 HA2 GLY 14 1HA GLY 14 -5.115 0.711 -1.130
75 HA3 GLY 14 2HA GLY 14 -6.367 1.254 -0.022
76 H CYS 15 H CYS 15 -4.123 2.573 -1.669
77 HA CYS 15 HA CYS 15 -2.386 3.796 0.229
78 HB2 CYS 15 1HB CYS 15 -1.651 3.662 -2.045
79 HB3 CYS 15 2HB CYS 15 -3.096 4.486 -2.624
80 H SER 16 H SER 16 -3.261 4.976 1.821
81 HA SER 16 HA SER 16 -5.538 6.703 1.316
82 HB2 SER 16 1HB SER 16 -5.056 5.264 3.451
83 HB3 SER 16 2HB SER 16 -4.050 6.634 3.920
84 HG SER 16 HG SER 16 -6.168 7.808 3.226
85 H GLU 17 H GLU 17 -3.203 7.411 -0.107
86 HA GLU 17 HA GLU 17 -2.549 9.985 1.170
87 HB2 GLU 17 1HB GLU 17 -0.569 8.597 1.167
88 HB3 GLU 17 2HB GLU 17 -0.780 8.232 -0.540
89 HG2 GLU 17 1HG GLU 17 0.870 9.827 -0.590
90 HG3 GLU 17 2HG GLU 17 -0.580 10.793 -0.859
91 H CYS 18 H CYS 18 -2.460 8.387 -2.021
92 HA CYS 18 HA CYS 18 -3.247 10.929 -3.253
93 HB2 CYS 18 1HB CYS 18 -2.450 10.032 -5.330
94 HB3 CYS 18 2HB CYS 18 -1.230 9.702 -4.104
95 H GLY 19 H GLY 19 -4.161 7.506 -3.118
96 HA2 GLY 19 1HA GLY 19 -6.660 7.235 -2.890
97 HA3 GLY 19 2HA GLY 19 -6.754 8.242 -4.327
98 H LYS 20 H LYS 20 -4.525 5.584 -3.591
99 HA LYS 20 HA LYS 20 -5.520 4.217 -6.002
100 HB2 LYS 20 1HB LYS 20 -3.039 5.051 -5.721
101 HB3 LYS 20 2HB LYS 20 -2.869 3.583 -4.769
102 HG2 LYS 20 1HG LYS 20 -3.098 2.215 -6.574
103 HG3 LYS 20 2HG LYS 20 -4.116 3.359 -7.452
104 HD2 LYS 20 1HD LYS 20 -1.286 4.110 -6.921
105 HD3 LYS 20 2HD LYS 20 -1.609 2.899 -8.163
106 HE2 LYS 20 1HE LYS 20 -1.702 4.807 -9.423
107 HE3 LYS 20 2HE LYS 20 -3.394 4.664 -8.950
108 HZ1 LYS 20 3HZ LYS 20 -1.429 6.294 -7.443
109 HZ2 LYS 20 1HZ LYS 20 -3.114 6.300 -7.289
110 HZ3 LYS 20 2HZ LYS 20 -2.391 6.924 -8.684
111 H ALA 21 H ALA 21 -5.759 1.944 -5.966
112 HA ALA 21 HA ALA 21 -5.881 0.756 -3.273
113 HB1 ALA 21 3HB ALA 21 -8.095 0.674 -3.510
114 HB2 ALA 21 1HB ALA 21 -8.006 1.116 -5.215
115 HB3 ALA 21 2HB ALA 21 -7.819 -0.569 -4.730
116 H PHE 22 H PHE 22 -5.636 -1.552 -3.187
117 HA PHE 22 HA PHE 22 -4.572 -2.837 -5.585
118 HB2 PHE 22 1HB PHE 22 -3.062 -2.905 -2.970
119 HB3 PHE 22 2HB PHE 22 -2.550 -3.566 -4.519
120 HD1 PHE 22 HD1 PHE 22 -3.302 -0.396 -2.755
121 HD2 PHE 22 HD2 PHE 22 -1.331 -2.269 -6.030
122 HE1 PHE 22 HE1 PHE 22 -2.158 1.720 -3.271
123 HE2 PHE 22 HE2 PHE 22 -0.183 -0.156 -6.551
124 HZ PHE 22 HZ PHE 22 -0.595 1.842 -5.171
125 H SER 23 H SER 23 -3.942 -5.225 -4.917
126 HA SER 23 HA SER 23 -6.308 -6.291 -3.559
127 HB2 SER 23 1HB SER 23 -5.810 -8.391 -4.696
128 HB3 SER 23 2HB SER 23 -5.835 -7.071 -5.864
129 HG SER 23 HG SER 23 -3.409 -7.078 -5.266
130 H SER 24 H SER 24 -2.781 -6.516 -3.563
131 HA SER 24 HA SER 24 -2.939 -7.871 -0.949
132 HB2 SER 24 1HB SER 24 -1.930 -9.182 -2.898
133 HB3 SER 24 2HB SER 24 -0.587 -8.041 -2.833
134 HG SER 24 HG SER 24 -0.003 -9.708 -1.534
135 H LYS 25 H LYS 25 -1.072 -7.435 0.492
136 HA LYS 25 HA LYS 25 -0.730 -4.658 0.868
137 HB2 LYS 25 1HB LYS 25 -0.680 -6.313 2.704
138 HB3 LYS 25 2HB LYS 25 0.842 -6.938 2.084
139 HG2 LYS 25 1HG LYS 25 1.684 -4.511 2.370
140 HG3 LYS 25 2HG LYS 25 0.281 -4.328 3.426
141 HD2 LYS 25 1HD LYS 25 2.136 -6.644 3.798
142 HD3 LYS 25 2HD LYS 25 2.578 -5.054 4.426
143 HE2 LYS 25 1HE LYS 25 0.700 -4.984 5.849
144 HE3 LYS 25 2HE LYS 25 -0.077 -6.332 5.019
145 HZ1 LYS 25 3HZ LYS 25 1.948 -7.658 5.806
146 HZ2 LYS 25 1HZ LYS 25 0.758 -7.275 6.946
147 HZ3 LYS 25 2HZ LYS 25 2.198 -6.389 6.896
148 H SER 26 H SER 26 1.561 -7.180 -0.167
149 HA SER 26 HA SER 26 3.867 -5.799 -0.457
150 HB2 SER 26 1HB SER 26 2.681 -7.800 -2.391
151 HB3 SER 26 2HB SER 26 4.354 -7.248 -2.453
152 HG SER 26 HG SER 26 4.605 -8.066 -0.321
153 H TYR 27 H TYR 27 1.316 -5.933 -2.943
154 HA TYR 27 HA TYR 27 2.483 -4.220 -4.789
155 HB2 TYR 27 1HB TYR 27 -0.342 -4.984 -4.169
156 HB3 TYR 27 2HB TYR 27 -0.041 -3.690 -5.323
157 HD1 TYR 27 HD2 TYR 27 2.119 -4.471 -6.941
158 HD2 TYR 27 HD1 TYR 27 -0.864 -6.966 -5.213
159 HE1 TYR 27 HE2 TYR 27 2.490 -6.134 -8.714
160 HE2 TYR 27 HE1 TYR 27 -0.499 -8.636 -6.981
161 HH TYR 27 HH TYR 27 0.439 -8.961 -9.042
162 H LEU 28 H LEU 28 0.277 -3.443 -2.114
163 HA LEU 28 HA LEU 28 0.048 -0.705 -2.563
164 HB2 LEU 28 1HB LEU 28 -1.406 -1.720 -1.002
165 HB3 LEU 28 2HB LEU 28 -0.063 -2.348 -0.050
166 HG LEU 28 HG LEU 28 0.488 -0.008 0.602
167 HD11 LEU 28 1HD1 LEU 28 -0.683 1.799 -0.085
168 HD12 LEU 28 2HD1 LEU 28 -2.198 0.907 -0.219
169 HD13 LEU 28 3HD1 LEU 28 -0.983 0.777 -1.491
170 HD21 LEU 28 3HD2 LEU 28 -2.329 -0.848 1.276
171 HD22 LEU 28 1HD2 LEU 28 -1.269 0.184 2.236
172 HD23 LEU 28 2HD2 LEU 28 -0.874 -1.520 2.014
173 H ILE 29 H ILE 29 2.470 -2.511 -0.718
174 HA ILE 29 HA ILE 29 3.852 -0.325 0.357
175 HB ILE 29 HB ILE 29 5.003 -2.999 -0.447
176 HG12 ILE 29 1HG1 ILE 29 4.221 -2.315 2.352
177 HG13 ILE 29 2HG1 ILE 29 2.951 -2.763 1.218
178 HG21 ILE 29 1HG2 ILE 29 6.381 -0.786 0.309
179 HG22 ILE 29 2HG2 ILE 29 6.095 -1.562 1.866
180 HG23 ILE 29 3HG2 ILE 29 6.921 -2.443 0.581
181 HD11 ILE 29 3HD1 ILE 29 3.453 -4.910 1.397
182 HD12 ILE 29 1HD1 ILE 29 5.162 -4.606 1.087
183 HD13 ILE 29 2HD1 ILE 29 4.525 -4.471 2.727
184 H ILE 30 H ILE 30 4.822 -2.309 -2.449
185 HA ILE 30 HA ILE 30 6.940 -0.887 -3.370
186 HB ILE 30 HB ILE 30 4.764 -2.079 -5.093
187 HG12 ILE 30 1HG1 ILE 30 7.398 -3.366 -4.441
188 HG13 ILE 30 2HG1 ILE 30 6.046 -3.502 -3.322
189 HG21 ILE 30 1HG2 ILE 30 6.305 -2.094 -6.891
190 HG22 ILE 30 2HG2 ILE 30 6.338 -0.464 -6.219
191 HG23 ILE 30 3HG2 ILE 30 7.636 -1.598 -5.846
192 HD11 ILE 30 3HD1 ILE 30 5.552 -4.174 -6.163
193 HD12 ILE 30 1HD1 ILE 30 6.509 -5.298 -5.199
194 HD13 ILE 30 2HD1 ILE 30 4.873 -4.875 -4.694
195 H HIS 31 H HIS 31 3.575 0.026 -3.561
196 HA HIS 31 HA HIS 31 3.973 2.170 -5.419
197 HB2 HIS 31 1HB HIS 31 1.792 1.207 -5.342
198 HB3 HIS 31 2HB HIS 31 1.684 1.424 -3.598
199 HD1 HIS 31 HD1 HIS 31 1.677 3.450 -6.791
200 HD2 HIS 31 HD2 HIS 31 0.607 3.810 -2.793
201 HE1 HIS 31 HE1 HIS 31 0.440 5.633 -6.620
202 H MET 32 H MET 32 3.513 1.959 -1.903
203 HA MET 32 HA MET 32 3.467 4.626 -1.243
204 HB2 MET 32 1HB MET 32 4.445 2.177 0.150
205 HB3 MET 32 2HB MET 32 4.829 3.741 0.856
206 HG2 MET 32 1HG MET 32 2.017 3.208 0.070
207 HG3 MET 32 2HG MET 32 2.652 2.414 1.508
208 HE1 MET 32 3HE MET 32 0.994 6.528 1.220
209 HE2 MET 32 1HE MET 32 1.960 6.009 -0.162
210 HE3 MET 32 2HE MET 32 0.598 5.028 0.380
211 H ARG 33 H ARG 33 6.147 2.723 -2.359
212 HA ARG 33 HA ARG 33 8.370 4.009 -1.485
213 HB2 ARG 33 1HB ARG 33 7.794 3.100 -4.310
214 HB3 ARG 33 2HB ARG 33 9.393 3.515 -3.706
215 HG2 ARG 33 1HG ARG 33 7.667 1.335 -2.555
216 HG3 ARG 33 2HG ARG 33 8.924 1.079 -3.767
217 HD2 ARG 33 1HD ARG 33 9.335 2.244 -1.015
218 HD3 ARG 33 2HD ARG 33 9.728 0.596 -1.503
219 HE ARG 33 HE ARG 33 11.147 2.036 -3.255
220 HH11 ARG 33 1HH1 ARG 33 10.819 2.271 0.203
221 HH12 ARG 33 2HH1 ARG 33 12.416 2.898 0.442
222 HH21 ARG 33 1HH2 ARG 33 13.251 2.862 -2.953
223 HH22 ARG 33 2HH2 ARG 33 13.798 3.235 -1.353
224 H THR 34 H THR 34 6.141 5.145 -3.975
225 HA THR 34 HA THR 34 7.667 7.424 -4.719
226 HB THR 34 HB THR 34 5.730 6.293 -6.011
227 HG1 THR 34 HG1 THR 34 6.864 8.531 -6.272
228 HG21 THR 34 3HG2 THR 34 4.163 8.247 -4.322
229 HG22 THR 34 1HG2 THR 34 4.061 6.490 -4.214
230 HG23 THR 34 2HG2 THR 34 3.539 7.315 -5.683
231 H HIS 35 H HIS 35 4.910 6.958 -2.530
232 HA HIS 35 HA HIS 35 4.816 9.714 -1.757
233 HB2 HIS 35 1HB HIS 35 3.549 7.250 -0.546
234 HB3 HIS 35 2HB HIS 35 3.226 8.896 -0.009
235 HD1 HIS 35 HD1 HIS 35 2.607 10.443 -2.405
236 HD2 HIS 35 HD2 HIS 35 1.501 6.450 -2.097
237 HE1 HIS 35 HE1 HIS 35 0.724 10.138 -4.044
238 H SER 36 H SER 36 5.383 6.848 0.285
239 HA SER 36 HA SER 36 7.114 8.488 1.987
240 HB2 SER 36 1HB SER 36 5.111 6.981 2.802
241 HB3 SER 36 2HB SER 36 6.310 5.692 2.698
242 HG SER 36 HG SER 36 6.750 8.112 4.104
243 H GLY 37 H GLY 37 9.034 8.488 0.834
244 HA2 GLY 37 1HA GLY 37 10.674 6.156 1.177
245 HA3 GLY 37 2HA GLY 37 10.283 6.461 -0.509
246 H GLU 38 H GLU 38 11.023 8.685 2.168
247 HA GLU 38 HA GLU 38 13.203 9.773 0.513
248 HB2 GLU 38 1HB GLU 38 11.112 11.202 1.157
249 HB3 GLU 38 2HB GLU 38 11.899 11.320 2.725
250 HG2 GLU 38 1HG GLU 38 13.649 12.568 1.908
251 HG3 GLU 38 2HG GLU 38 13.439 11.978 0.260
252 H LYS 39 H LYS 39 14.709 8.267 1.370
253 HA LYS 39 HA LYS 39 15.701 9.046 4.016
254 HB2 LYS 39 1HB LYS 39 14.763 7.089 4.741
255 HB3 LYS 39 2HB LYS 39 14.831 6.340 3.151
256 HG2 LYS 39 1HG LYS 39 17.286 6.080 3.446
257 HG3 LYS 39 2HG LYS 39 17.103 6.680 5.096
258 HD2 LYS 39 1HD LYS 39 15.525 4.333 4.081
259 HD3 LYS 39 2HD LYS 39 17.148 4.143 4.751
260 HE2 LYS 39 1HE LYS 39 16.420 5.150 6.842
261 HE3 LYS 39 2HE LYS 39 14.811 5.416 6.174
262 HZ1 LYS 39 3HZ LYS 39 15.929 2.696 6.238
263 HZ2 LYS 39 1HZ LYS 39 14.311 3.189 6.256
264 HZ3 LYS 39 2HZ LYS 39 15.261 3.356 7.645
265 HA PRO 40 HA PRO 40 19.543 9.264 1.867
266 HB2 PRO 40 1HB PRO 40 21.207 9.236 4.011
267 HB3 PRO 40 2HB PRO 40 20.237 10.645 3.567
268 HG2 PRO 40 1HG PRO 40 19.708 8.562 5.651
269 HG3 PRO 40 2HG PRO 40 19.504 10.321 5.750
270 HD2 PRO 40 1HD PRO 40 17.428 8.636 5.321
271 HD3 PRO 40 2HD PRO 40 17.483 10.276 4.642
272 H SER 41 H SER 41 21.216 7.950 1.187
273 HA SER 41 HA SER 41 21.192 5.204 2.256
274 HB2 SER 41 1HB SER 41 20.396 5.416 -0.088
275 HB3 SER 41 2HB SER 41 21.956 6.107 -0.532
276 HG SER 41 HG SER 41 22.685 4.154 -0.681
277 H GLY 42 H GLY 42 22.756 5.902 3.861
278 HA2 GLY 42 1HA GLY 42 24.889 6.406 4.627
279 HA3 GLY 42 2HA GLY 42 25.294 5.085 3.541
280 HA PRO 43 HA PRO 43 26.065 9.270 1.190
281 HB2 PRO 43 1HB PRO 43 26.314 11.450 2.788
282 HB3 PRO 43 2HB PRO 43 24.774 10.951 2.077
283 HG2 PRO 43 1HG PRO 43 25.825 10.480 4.840
284 HG3 PRO 43 2HG PRO 43 24.196 10.959 4.329
285 HD2 PRO 43 1HD PRO 43 24.822 8.412 5.000
286 HD3 PRO 43 2HD PRO 43 23.600 8.803 3.774
287 H SER 44 H SER 44 28.032 7.992 1.143
288 HA SER 44 HA SER 44 30.179 9.135 2.808
289 HB2 SER 44 1HB SER 44 29.707 6.336 1.834
290 HB3 SER 44 2HB SER 44 31.349 6.885 2.170
291 HG SER 44 HG SER 44 29.165 6.913 3.985
292 H SER 45 H SER 45 32.356 9.051 1.761
293 HA SER 45 HA SER 45 32.277 9.212 -1.158
294 HB2 SER 45 1HB SER 45 31.892 11.513 -0.263
295 HB3 SER 45 2HB SER 45 33.452 11.416 0.553
296 HG SER 45 HG SER 45 32.866 11.739 -2.142
297 H GLY 46 H GLY 46 34.242 8.803 -2.174
298 HA2 GLY 46 1HA GLY 46 36.596 8.332 -0.507
299 HA3 GLY 46 2HA GLY 46 35.938 6.946 -1.363
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -26.974 7.060 -4.174
2 HA2 GLY 1 1HA GLY 1 -25.213 5.844 -5.025
3 HA3 GLY 1 2HA GLY 1 -24.308 6.249 -3.574
4 H SER 2 H SER 2 -23.843 4.643 -2.226
5 HA SER 2 HA SER 2 -23.787 2.581 -1.268
6 HB2 SER 2 1HB SER 2 -26.732 2.916 -1.784
7 HB3 SER 2 2HB SER 2 -26.102 1.426 -1.082
8 HG SER 2 HG SER 2 -26.363 3.933 0.030
9 H SER 3 H SER 3 -22.987 2.677 -3.908
10 HA SER 3 HA SER 3 -24.247 0.528 -5.374
11 HB2 SER 3 1HB SER 3 -23.276 2.527 -6.512
12 HB3 SER 3 2HB SER 3 -21.674 1.999 -5.996
13 HG SER 3 HG SER 3 -22.542 -0.090 -7.110
14 H GLY 4 H GLY 4 -23.687 -1.555 -5.343
15 HA2 GLY 4 1HA GLY 4 -21.431 -2.349 -3.663
16 HA3 GLY 4 2HA GLY 4 -22.711 -3.400 -4.248
17 H SER 5 H SER 5 -20.211 -1.305 -5.696
18 HA SER 5 HA SER 5 -19.895 -2.587 -8.091
19 HB2 SER 5 1HB SER 5 -17.855 -1.219 -6.340
20 HB3 SER 5 2HB SER 5 -17.461 -1.817 -7.951
21 HG SER 5 HG SER 5 -19.214 0.250 -7.198
22 H SER 6 H SER 6 -18.293 -3.390 -5.028
23 HA SER 6 HA SER 6 -17.142 -5.787 -6.234
24 HB2 SER 6 1HB SER 6 -16.764 -4.473 -3.538
25 HB3 SER 6 2HB SER 6 -16.036 -6.021 -3.967
26 HG SER 6 HG SER 6 -14.683 -4.141 -4.333
27 H GLY 7 H GLY 7 -17.365 -7.872 -5.179
28 HA2 GLY 7 1HA GLY 7 -20.112 -8.359 -4.427
29 HA3 GLY 7 2HA GLY 7 -18.862 -9.571 -4.666
30 H ALA 8 H ALA 8 -17.087 -9.494 -2.924
31 HA ALA 8 HA ALA 8 -18.390 -9.844 -0.391
32 HB1 ALA 8 3HB ALA 8 -16.227 -10.994 -1.554
33 HB2 ALA 8 1HB ALA 8 -15.454 -9.875 -0.431
34 HB3 ALA 8 2HB ALA 8 -16.598 -11.078 0.168
35 H GLY 9 H GLY 9 -15.980 -7.588 -1.703
36 HA2 GLY 9 1HA GLY 9 -16.757 -5.304 -0.480
37 HA3 GLY 9 2HA GLY 9 -15.829 -6.110 0.776
38 H GLU 10 H GLU 10 -13.952 -5.063 0.920
39 HA GLU 10 HA GLU 10 -12.319 -4.853 -1.503
40 HB2 GLU 10 1HB GLU 10 -13.380 -2.649 -1.122
41 HB3 GLU 10 2HB GLU 10 -12.669 -2.603 0.485
42 HG2 GLU 10 1HG GLU 10 -11.362 -1.252 -0.999
43 HG3 GLU 10 2HG GLU 10 -10.427 -2.673 -0.535
44 H LYS 11 H LYS 11 -10.122 -5.074 -1.183
45 HA LYS 11 HA LYS 11 -9.232 -6.642 0.916
46 HB2 LYS 11 1HB LYS 11 -7.896 -4.986 -1.167
47 HB3 LYS 11 2HB LYS 11 -6.911 -5.559 0.173
48 HG2 LYS 11 1HG LYS 11 -6.615 -7.264 -1.308
49 HG3 LYS 11 2HG LYS 11 -8.018 -7.866 -0.423
50 HD2 LYS 11 1HD LYS 11 -9.422 -6.712 -2.222
51 HD3 LYS 11 2HD LYS 11 -7.921 -6.590 -3.143
52 HE2 LYS 11 1HE LYS 11 -7.771 -8.863 -3.453
53 HE3 LYS 11 2HE LYS 11 -8.704 -9.230 -2.003
54 HZ1 LYS 11 3HZ LYS 11 -9.874 -9.680 -4.135
55 HZ2 LYS 11 1HZ LYS 11 -9.878 -8.016 -4.441
56 HZ3 LYS 11 2HZ LYS 11 -10.705 -8.631 -3.100
57 HA PRO 12 HA PRO 12 -8.473 -4.018 4.350
58 HB2 PRO 12 1HB PRO 12 -6.198 -5.085 5.378
59 HB3 PRO 12 2HB PRO 12 -7.769 -5.886 5.488
60 HG2 PRO 12 1HG PRO 12 -5.525 -6.372 3.567
61 HG3 PRO 12 2HG PRO 12 -6.540 -7.548 4.423
62 HD2 PRO 12 1HD PRO 12 -6.957 -6.875 1.833
63 HD3 PRO 12 2HD PRO 12 -8.281 -7.322 2.928
64 H TYR 13 H TYR 13 -5.740 -4.549 2.175
65 HA TYR 13 HA TYR 13 -4.347 -2.195 3.111
66 HB2 TYR 13 1HB TYR 13 -3.685 -3.764 0.626
67 HB3 TYR 13 2HB TYR 13 -2.605 -2.808 1.634
68 HD1 TYR 13 HD2 TYR 13 -1.978 -3.662 3.905
69 HD2 TYR 13 HD1 TYR 13 -4.095 -6.051 1.091
70 HE1 TYR 13 HE2 TYR 13 -1.357 -5.683 5.162
71 HE2 TYR 13 HE1 TYR 13 -3.481 -8.078 2.341
72 HH TYR 13 HH TYR 13 -1.287 -8.559 4.104
73 H GLY 14 H GLY 14 -4.011 -0.293 1.952
74 HA2 GLY 14 1HA GLY 14 -4.869 0.245 -0.649
75 HA3 GLY 14 2HA GLY 14 -6.203 0.632 0.427
76 H CYS 15 H CYS 15 -3.757 1.987 -1.199
77 HA CYS 15 HA CYS 15 -2.457 3.657 0.634
78 HB2 CYS 15 1HB CYS 15 -1.510 3.542 -1.517
79 HB3 CYS 15 2HB CYS 15 -3.042 3.898 -2.307
80 H SER 16 H SER 16 -2.938 5.592 1.540
81 HA SER 16 HA SER 16 -5.685 6.568 1.157
82 HB2 SER 16 1HB SER 16 -5.053 5.849 3.454
83 HB3 SER 16 2HB SER 16 -3.802 7.092 3.470
84 HG SER 16 HG SER 16 -5.787 8.482 2.864
85 H GLU 17 H GLU 17 -2.314 7.507 1.124
86 HA GLU 17 HA GLU 17 -2.375 10.226 1.146
87 HB2 GLU 17 1HB GLU 17 -0.728 8.268 -0.400
88 HB3 GLU 17 2HB GLU 17 -0.555 9.984 -0.744
89 HG2 GLU 17 1HG GLU 17 -0.331 8.902 2.042
90 HG3 GLU 17 2HG GLU 17 1.044 8.941 0.940
91 H CYS 18 H CYS 18 -2.881 8.208 -1.747
92 HA CYS 18 HA CYS 18 -4.177 10.525 -3.026
93 HB2 CYS 18 1HB CYS 18 -3.436 9.781 -5.121
94 HB3 CYS 18 2HB CYS 18 -2.059 9.481 -4.065
95 H GLY 19 H GLY 19 -4.406 7.069 -2.383
96 HA2 GLY 19 1HA GLY 19 -6.595 6.163 -1.840
97 HA3 GLY 19 2HA GLY 19 -7.275 7.232 -3.057
98 H LYS 20 H LYS 20 -4.695 4.770 -2.931
99 HA LYS 20 HA LYS 20 -5.910 3.537 -5.315
100 HB2 LYS 20 1HB LYS 20 -3.691 4.802 -5.644
101 HB3 LYS 20 2HB LYS 20 -2.955 3.478 -4.751
102 HG2 LYS 20 1HG LYS 20 -3.308 1.962 -6.433
103 HG3 LYS 20 2HG LYS 20 -4.686 2.848 -7.090
104 HD2 LYS 20 1HD LYS 20 -3.369 4.269 -8.302
105 HD3 LYS 20 2HD LYS 20 -2.022 4.163 -7.166
106 HE2 LYS 20 1HE LYS 20 -1.149 2.950 -8.887
107 HE3 LYS 20 2HE LYS 20 -1.979 1.658 -8.021
108 HZ1 LYS 20 3HZ LYS 20 -2.769 3.013 -10.516
109 HZ2 LYS 20 1HZ LYS 20 -3.935 2.255 -9.553
110 HZ3 LYS 20 2HZ LYS 20 -2.653 1.356 -10.194
111 H ALA 21 H ALA 21 -6.680 1.594 -4.849
112 HA ALA 21 HA ALA 21 -5.579 0.101 -2.591
113 HB1 ALA 21 3HB ALA 21 -8.008 0.418 -2.704
114 HB2 ALA 21 1HB ALA 21 -8.044 -0.446 -4.242
115 HB3 ALA 21 2HB ALA 21 -7.565 -1.288 -2.768
116 H PHE 22 H PHE 22 -5.136 -2.189 -2.793
117 HA PHE 22 HA PHE 22 -4.496 -3.086 -5.511
118 HB2 PHE 22 1HB PHE 22 -2.604 -3.140 -3.152
119 HB3 PHE 22 2HB PHE 22 -2.322 -3.985 -4.671
120 HD1 PHE 22 HD1 PHE 22 -2.674 -0.659 -3.118
121 HD2 PHE 22 HD2 PHE 22 -1.494 -2.852 -6.570
122 HE1 PHE 22 HE1 PHE 22 -1.630 1.367 -4.044
123 HE2 PHE 22 HE2 PHE 22 -0.447 -0.829 -7.501
124 HZ PHE 22 HZ PHE 22 -0.513 1.283 -6.237
125 H SER 23 H SER 23 -3.741 -5.486 -5.390
126 HA SER 23 HA SER 23 -5.872 -6.929 -4.099
127 HB2 SER 23 1HB SER 23 -5.041 -8.865 -5.301
128 HB3 SER 23 2HB SER 23 -5.069 -7.481 -6.394
129 HG SER 23 HG SER 23 -2.948 -8.955 -5.485
130 H SER 24 H SER 24 -2.341 -6.794 -3.832
131 HA SER 24 HA SER 24 -2.570 -8.193 -1.247
132 HB2 SER 24 1HB SER 24 -0.434 -8.392 -3.368
133 HB3 SER 24 2HB SER 24 -0.156 -8.909 -1.705
134 HG SER 24 HG SER 24 -1.716 -10.457 -1.928
135 H LYS 25 H LYS 25 -0.661 -7.712 0.216
136 HA LYS 25 HA LYS 25 -0.554 -4.935 0.708
137 HB2 LYS 25 1HB LYS 25 -0.337 -6.437 2.554
138 HB3 LYS 25 2HB LYS 25 1.035 -7.250 1.813
139 HG2 LYS 25 1HG LYS 25 2.206 -4.965 1.975
140 HG3 LYS 25 2HG LYS 25 0.923 -4.559 3.117
141 HD2 LYS 25 1HD LYS 25 2.671 -5.367 4.455
142 HD3 LYS 25 2HD LYS 25 1.553 -6.726 4.320
143 HE2 LYS 25 1HE LYS 25 3.014 -7.431 2.312
144 HE3 LYS 25 2HE LYS 25 4.207 -6.322 2.985
145 HZ1 LYS 25 3HZ LYS 25 4.814 -7.919 4.370
146 HZ2 LYS 25 1HZ LYS 25 3.606 -8.951 3.786
147 HZ3 LYS 25 2HZ LYS 25 3.276 -7.905 5.074
148 H SER 26 H SER 26 2.034 -7.178 -0.294
149 HA SER 26 HA SER 26 4.144 -5.537 -0.609
150 HB2 SER 26 1HB SER 26 3.198 -7.726 -2.462
151 HB3 SER 26 2HB SER 26 4.756 -6.924 -2.657
152 HG SER 26 HG SER 26 5.032 -7.538 -0.326
153 H TYR 27 H TYR 27 1.528 -5.902 -2.986
154 HA TYR 27 HA TYR 27 2.465 -4.206 -4.957
155 HB2 TYR 27 1HB TYR 27 -0.288 -4.976 -4.057
156 HB3 TYR 27 2HB TYR 27 -0.091 -3.751 -5.307
157 HD1 TYR 27 HD2 TYR 27 1.805 -4.554 -7.132
158 HD2 TYR 27 HD1 TYR 27 -0.742 -7.084 -4.850
159 HE1 TYR 27 HE2 TYR 27 2.048 -6.318 -8.829
160 HE2 TYR 27 HE1 TYR 27 -0.506 -8.856 -6.539
161 HH TYR 27 HH TYR 27 1.694 -9.214 -8.533
162 H LEU 28 H LEU 28 0.683 -3.414 -2.009
163 HA LEU 28 HA LEU 28 0.292 -0.680 -2.550
164 HB2 LEU 28 1HB LEU 28 -0.947 -1.842 -0.823
165 HB3 LEU 28 2HB LEU 28 0.538 -2.134 0.080
166 HG LEU 28 HG LEU 28 0.752 0.325 0.405
167 HD11 LEU 28 1HD1 LEU 28 -2.097 0.558 -0.485
168 HD12 LEU 28 2HD1 LEU 28 -0.770 0.779 -1.625
169 HD13 LEU 28 3HD1 LEU 28 -0.904 1.829 -0.214
170 HD21 LEU 28 3HD2 LEU 28 -0.369 0.137 2.333
171 HD22 LEU 28 1HD2 LEU 28 -0.753 -1.495 1.785
172 HD23 LEU 28 2HD2 LEU 28 -1.902 -0.183 1.520
173 H ILE 29 H ILE 29 2.840 -2.362 -0.730
174 HA ILE 29 HA ILE 29 4.298 -0.173 0.128
175 HB ILE 29 HB ILE 29 5.370 -2.851 -0.766
176 HG12 ILE 29 1HG1 ILE 29 4.766 -1.908 2.038
177 HG13 ILE 29 2HG1 ILE 29 3.609 -2.808 1.064
178 HG21 ILE 29 1HG2 ILE 29 7.421 -2.249 -0.106
179 HG22 ILE 29 2HG2 ILE 29 6.830 -0.595 -0.255
180 HG23 ILE 29 3HG2 ILE 29 6.814 -1.398 1.314
181 HD11 ILE 29 3HD1 ILE 29 6.239 -3.722 2.165
182 HD12 ILE 29 1HD1 ILE 29 4.633 -4.405 2.418
183 HD13 ILE 29 2HD1 ILE 29 5.428 -4.577 0.853
184 H ILE 30 H ILE 30 4.452 -1.867 -2.977
185 HA ILE 30 HA ILE 30 6.644 -0.474 -4.047
186 HB ILE 30 HB ILE 30 4.317 -1.611 -5.597
187 HG12 ILE 30 1HG1 ILE 30 6.873 -3.089 -5.080
188 HG13 ILE 30 2HG1 ILE 30 5.599 -3.108 -3.865
189 HG21 ILE 30 1HG2 ILE 30 5.890 -0.125 -6.827
190 HG22 ILE 30 2HG2 ILE 30 7.190 -1.245 -6.424
191 HG23 ILE 30 3HG2 ILE 30 5.847 -1.780 -7.434
192 HD11 ILE 30 3HD1 ILE 30 4.335 -3.689 -6.285
193 HD12 ILE 30 1HD1 ILE 30 5.833 -4.619 -6.288
194 HD13 ILE 30 2HD1 ILE 30 4.687 -4.797 -4.959
195 H HIS 31 H HIS 31 3.350 0.441 -3.588
196 HA HIS 31 HA HIS 31 3.592 2.710 -5.416
197 HB2 HIS 31 1HB HIS 31 1.508 1.491 -5.557
198 HB3 HIS 31 2HB HIS 31 1.249 1.655 -3.823
199 HD1 HIS 31 HD1 HIS 31 1.154 3.638 -7.014
200 HD2 HIS 31 HD2 HIS 31 0.118 4.051 -3.012
201 HE1 HIS 31 HE1 HIS 31 -0.207 5.748 -6.887
202 H MET 32 H MET 32 3.706 1.926 -2.057
203 HA MET 32 HA MET 32 3.293 4.654 -1.176
204 HB2 MET 32 1HB MET 32 4.026 2.119 0.288
205 HB3 MET 32 2HB MET 32 3.877 3.681 1.081
206 HG2 MET 32 1HG MET 32 1.718 2.126 -0.313
207 HG3 MET 32 2HG MET 32 1.850 2.481 1.407
208 HE1 MET 32 3HE MET 32 0.512 4.812 2.440
209 HE2 MET 32 1HE MET 32 2.254 4.898 2.176
210 HE3 MET 32 2HE MET 32 1.216 6.225 1.654
211 H ARG 33 H ARG 33 5.834 2.928 -2.470
212 HA ARG 33 HA ARG 33 7.965 4.059 -0.905
213 HB2 ARG 33 1HB ARG 33 9.451 2.983 -2.464
214 HB3 ARG 33 2HB ARG 33 8.149 1.868 -2.072
215 HG2 ARG 33 1HG ARG 33 7.038 2.786 -4.220
216 HG3 ARG 33 2HG ARG 33 8.664 3.348 -4.614
217 HD2 ARG 33 1HD ARG 33 8.339 0.534 -3.721
218 HD3 ARG 33 2HD ARG 33 7.785 0.954 -5.341
219 HE ARG 33 HE ARG 33 10.248 1.992 -5.328
220 HH11 ARG 33 1HH1 ARG 33 9.055 -1.128 -4.345
221 HH12 ARG 33 2HH1 ARG 33 10.525 -1.958 -4.734
222 HH21 ARG 33 1HH2 ARG 33 12.189 0.910 -5.844
223 HH22 ARG 33 2HH2 ARG 33 12.308 -0.797 -5.586
224 H THR 34 H THR 34 6.050 5.075 -3.549
225 HA THR 34 HA THR 34 8.006 7.056 -4.434
226 HB THR 34 HB THR 34 6.861 5.963 -6.232
227 HG1 THR 34 HG1 THR 34 6.437 7.783 -7.280
228 HG21 THR 34 3HG2 THR 34 4.323 6.780 -4.818
229 HG22 THR 34 1HG2 THR 34 4.896 5.141 -5.124
230 HG23 THR 34 2HG2 THR 34 4.379 6.160 -6.468
231 H HIS 35 H HIS 35 4.872 6.834 -2.842
232 HA HIS 35 HA HIS 35 4.176 9.535 -2.827
233 HB2 HIS 35 1HB HIS 35 3.487 7.169 -1.160
234 HB3 HIS 35 2HB HIS 35 3.096 8.757 -0.507
235 HD1 HIS 35 HD1 HIS 35 2.048 10.235 -2.896
236 HD2 HIS 35 HD2 HIS 35 1.159 6.243 -2.169
237 HE1 HIS 35 HE1 HIS 35 -0.084 9.782 -4.150
238 H SER 36 H SER 36 6.093 10.729 -2.487
239 HA SER 36 HA SER 36 7.717 10.449 -0.184
240 HB2 SER 36 1HB SER 36 7.353 12.866 -1.972
241 HB3 SER 36 2HB SER 36 8.681 12.609 -0.839
242 HG SER 36 HG SER 36 9.108 12.037 -3.088
243 H GLY 37 H GLY 37 7.406 11.108 1.841
244 HA2 GLY 37 1HA GLY 37 6.446 13.443 2.814
245 HA3 GLY 37 2HA GLY 37 4.979 12.521 2.521
246 H GLU 38 H GLU 38 8.189 11.647 3.798
247 HA GLU 38 HA GLU 38 7.162 9.834 5.694
248 HB2 GLU 38 1HB GLU 38 9.828 11.246 5.541
249 HB3 GLU 38 2HB GLU 38 9.459 9.983 6.707
250 HG2 GLU 38 1HG GLU 38 8.967 8.462 4.793
251 HG3 GLU 38 2HG GLU 38 9.554 9.725 3.713
252 H LYS 39 H LYS 39 6.097 10.231 7.505
253 HA LYS 39 HA LYS 39 6.928 12.153 9.416
254 HB2 LYS 39 1HB LYS 39 5.034 13.668 9.349
255 HB3 LYS 39 2HB LYS 39 5.864 13.687 7.798
256 HG2 LYS 39 1HG LYS 39 4.158 12.482 6.741
257 HG3 LYS 39 2HG LYS 39 3.458 11.961 8.276
258 HD2 LYS 39 1HD LYS 39 1.996 13.632 7.719
259 HD3 LYS 39 2HD LYS 39 3.184 14.561 8.637
260 HE2 LYS 39 1HE LYS 39 3.611 14.235 5.713
261 HE3 LYS 39 2HE LYS 39 2.341 15.335 6.248
262 HZ1 LYS 39 3HZ LYS 39 4.977 15.560 7.502
263 HZ2 LYS 39 1HZ LYS 39 3.833 16.762 7.168
264 HZ3 LYS 39 2HZ LYS 39 4.799 16.145 5.924
265 HA PRO 40 HA PRO 40 4.700 9.315 11.937
266 HB2 PRO 40 1HB PRO 40 4.505 10.804 14.198
267 HB3 PRO 40 2HB PRO 40 6.016 10.053 13.670
268 HG2 PRO 40 1HG PRO 40 5.090 12.881 13.341
269 HG3 PRO 40 2HG PRO 40 6.692 12.274 13.801
270 HD2 PRO 40 1HD PRO 40 6.115 13.106 11.290
271 HD3 PRO 40 2HD PRO 40 7.280 11.808 11.622
272 H SER 41 H SER 41 2.640 8.969 11.305
273 HA SER 41 HA SER 41 0.664 11.105 11.623
274 HB2 SER 41 1HB SER 41 -0.810 9.674 10.267
275 HB3 SER 41 2HB SER 41 0.727 9.957 9.451
276 HG SER 41 HG SER 41 1.209 7.831 10.751
277 H GLY 42 H GLY 42 0.431 11.053 13.881
278 HA2 GLY 42 1HA GLY 42 -1.142 10.423 15.549
279 HA3 GLY 42 2HA GLY 42 -1.240 8.829 14.815
280 HA PRO 43 HA PRO 43 1.735 9.003 18.529
281 HB2 PRO 43 1HB PRO 43 0.155 7.766 20.359
282 HB3 PRO 43 2HB PRO 43 0.188 9.521 20.148
283 HG2 PRO 43 1HG PRO 43 -1.777 7.523 19.095
284 HG3 PRO 43 2HG PRO 43 -2.077 9.115 19.816
285 HD2 PRO 43 1HD PRO 43 -2.110 8.698 17.141
286 HD3 PRO 43 2HD PRO 43 -1.584 10.233 17.862
287 H SER 44 H SER 44 0.185 6.874 16.520
288 HA SER 44 HA SER 44 0.309 4.352 17.370
289 HB2 SER 44 1HB SER 44 0.138 5.357 14.929
290 HB3 SER 44 2HB SER 44 1.836 4.885 14.854
291 HG SER 44 HG SER 44 -0.375 3.204 15.442
292 H SER 45 H SER 45 1.671 3.543 18.837
293 HA SER 45 HA SER 45 4.325 2.884 18.162
294 HB2 SER 45 1HB SER 45 5.506 4.263 19.871
295 HB3 SER 45 2HB SER 45 4.822 5.225 18.562
296 HG SER 45 HG SER 45 4.066 5.061 21.243
297 H GLY 46 H GLY 46 5.542 2.070 20.202
298 HA2 GLY 46 1HA GLY 46 5.311 1.200 22.453
299 HA3 GLY 46 2HA GLY 46 3.600 0.965 22.128
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -28.192 1.549 7.872
2 HA2 GLY 1 1HA GLY 1 -25.792 2.768 8.017
3 HA3 GLY 1 2HA GLY 1 -26.053 2.275 9.683
4 H SER 2 H SER 2 -24.540 0.710 9.895
5 HA SER 2 HA SER 2 -24.434 -1.423 7.891
6 HB2 SER 2 1HB SER 2 -22.553 -0.380 9.949
7 HB3 SER 2 2HB SER 2 -22.452 -2.096 9.558
8 HG SER 2 HG SER 2 -22.253 0.076 7.741
9 H SER 3 H SER 3 -24.894 -3.536 8.339
10 HA SER 3 HA SER 3 -26.071 -4.075 10.987
11 HB2 SER 3 1HB SER 3 -26.815 -5.368 8.353
12 HB3 SER 3 2HB SER 3 -27.596 -5.638 9.911
13 HG SER 3 HG SER 3 -28.833 -4.042 9.348
14 H GLY 4 H GLY 4 -24.501 -5.682 8.217
15 HA2 GLY 4 1HA GLY 4 -22.979 -7.309 10.131
16 HA3 GLY 4 2HA GLY 4 -23.907 -8.128 8.883
17 H SER 5 H SER 5 -22.738 -8.742 7.205
18 HA SER 5 HA SER 5 -20.372 -7.138 6.486
19 HB2 SER 5 1HB SER 5 -19.707 -9.333 7.259
20 HB3 SER 5 2HB SER 5 -20.862 -10.109 6.176
21 HG SER 5 HG SER 5 -19.634 -9.539 4.446
22 H SER 6 H SER 6 -20.705 -5.972 4.721
23 HA SER 6 HA SER 6 -22.749 -6.664 2.813
24 HB2 SER 6 1HB SER 6 -22.385 -4.319 3.391
25 HB3 SER 6 2HB SER 6 -20.719 -4.417 2.819
26 HG SER 6 HG SER 6 -22.245 -3.511 1.290
27 H GLY 7 H GLY 7 -19.216 -6.193 2.633
28 HA2 GLY 7 1HA GLY 7 -19.162 -7.485 0.022
29 HA3 GLY 7 2HA GLY 7 -17.805 -6.721 0.836
30 H ALA 8 H ALA 8 -19.088 -9.623 -0.109
31 HA ALA 8 HA ALA 8 -18.771 -11.500 1.785
32 HB1 ALA 8 3HB ALA 8 -17.686 -11.636 -1.024
33 HB2 ALA 8 1HB ALA 8 -17.899 -13.026 0.040
34 HB3 ALA 8 2HB ALA 8 -19.301 -12.095 -0.487
35 H GLY 9 H GLY 9 -16.058 -10.094 -0.053
36 HA2 GLY 9 1HA GLY 9 -14.322 -10.470 2.248
37 HA3 GLY 9 2HA GLY 9 -13.896 -11.404 0.821
38 H GLU 10 H GLU 10 -13.123 -8.709 2.441
39 HA GLU 10 HA GLU 10 -12.140 -7.393 0.006
40 HB2 GLU 10 1HB GLU 10 -12.647 -5.206 0.890
41 HB3 GLU 10 2HB GLU 10 -14.119 -6.168 0.868
42 HG2 GLU 10 1HG GLU 10 -14.111 -4.993 2.909
43 HG3 GLU 10 2HG GLU 10 -13.709 -6.666 3.293
44 H LYS 11 H LYS 11 -10.343 -5.846 0.484
45 HA LYS 11 HA LYS 11 -8.731 -6.792 2.763
46 HB2 LYS 11 1HB LYS 11 -7.889 -6.168 -0.064
47 HB3 LYS 11 2HB LYS 11 -6.738 -6.261 1.263
48 HG2 LYS 11 1HG LYS 11 -6.613 -8.376 0.378
49 HG3 LYS 11 2HG LYS 11 -7.795 -8.599 1.670
50 HD2 LYS 11 1HD LYS 11 -8.675 -9.696 -0.236
51 HD3 LYS 11 2HD LYS 11 -9.585 -8.192 -0.068
52 HE2 LYS 11 1HE LYS 11 -8.418 -7.174 -1.847
53 HE3 LYS 11 2HE LYS 11 -7.173 -8.421 -1.848
54 HZ1 LYS 11 3HZ LYS 11 -10.015 -8.912 -2.549
55 HZ2 LYS 11 1HZ LYS 11 -8.727 -9.998 -2.701
56 HZ3 LYS 11 2HZ LYS 11 -8.794 -8.623 -3.684
57 HA PRO 12 HA PRO 12 -8.479 -2.582 4.023
58 HB2 PRO 12 1HB PRO 12 -6.210 -2.709 5.508
59 HB3 PRO 12 2HB PRO 12 -7.750 -3.387 6.048
60 HG2 PRO 12 1HG PRO 12 -5.405 -4.769 4.803
61 HG3 PRO 12 2HG PRO 12 -6.408 -5.282 6.172
62 HD2 PRO 12 1HD PRO 12 -6.736 -6.275 3.675
63 HD3 PRO 12 2HD PRO 12 -8.088 -6.075 4.808
64 H TYR 13 H TYR 13 -5.686 -4.130 2.534
65 HA TYR 13 HA TYR 13 -3.882 -2.168 2.173
66 HB2 TYR 13 1HB TYR 13 -4.700 -3.699 -0.267
67 HB3 TYR 13 2HB TYR 13 -3.085 -3.309 0.313
68 HD1 TYR 13 HD2 TYR 13 -3.129 -4.281 3.065
69 HD2 TYR 13 HD1 TYR 13 -4.793 -6.011 -0.448
70 HE1 TYR 13 HE2 TYR 13 -2.955 -6.510 4.088
71 HE2 TYR 13 HE1 TYR 13 -4.625 -8.245 0.565
72 HH TYR 13 HH TYR 13 -2.801 -9.110 2.819
73 H GLY 14 H GLY 14 -4.270 -0.072 1.834
74 HA2 GLY 14 1HA GLY 14 -5.383 0.767 -0.685
75 HA3 GLY 14 2HA GLY 14 -6.411 1.158 0.685
76 H CYS 15 H CYS 15 -4.177 2.418 -1.311
77 HA CYS 15 HA CYS 15 -2.463 3.822 0.460
78 HB2 CYS 15 1HB CYS 15 -1.818 3.501 -1.849
79 HB3 CYS 15 2HB CYS 15 -3.243 4.370 -2.409
80 H SER 16 H SER 16 -3.377 5.060 1.996
81 HA SER 16 HA SER 16 -5.660 6.744 1.379
82 HB2 SER 16 1HB SER 16 -5.538 5.516 3.533
83 HB3 SER 16 2HB SER 16 -4.117 6.466 3.970
84 HG SER 16 HG SER 16 -5.633 8.330 3.518
85 H GLU 17 H GLU 17 -3.330 7.404 -0.057
86 HA GLU 17 HA GLU 17 -2.661 10.019 1.125
87 HB2 GLU 17 1HB GLU 17 -0.678 8.653 1.120
88 HB3 GLU 17 2HB GLU 17 -0.940 8.196 -0.557
89 HG2 GLU 17 1HG GLU 17 0.750 9.789 -0.648
90 HG3 GLU 17 2HG GLU 17 -0.707 10.676 -1.094
91 H CYS 18 H CYS 18 -2.627 8.346 -2.028
92 HA CYS 18 HA CYS 18 -3.560 10.843 -3.271
93 HB2 CYS 18 1HB CYS 18 -2.664 10.007 -5.356
94 HB3 CYS 18 2HB CYS 18 -1.423 9.886 -4.112
95 H GLY 19 H GLY 19 -4.123 7.343 -3.190
96 HA2 GLY 19 1HA GLY 19 -6.555 6.765 -3.020
97 HA3 GLY 19 2HA GLY 19 -6.777 7.842 -4.392
98 H LYS 20 H LYS 20 -4.535 5.180 -3.609
99 HA LYS 20 HA LYS 20 -5.365 3.877 -6.114
100 HB2 LYS 20 1HB LYS 20 -3.080 5.066 -6.164
101 HB3 LYS 20 2HB LYS 20 -2.533 3.776 -5.100
102 HG2 LYS 20 1HG LYS 20 -3.044 2.118 -6.768
103 HG3 LYS 20 2HG LYS 20 -3.752 3.346 -7.819
104 HD2 LYS 20 1HD LYS 20 -0.897 3.498 -6.894
105 HD3 LYS 20 2HD LYS 20 -1.365 2.589 -8.333
106 HE2 LYS 20 1HE LYS 20 -2.426 4.667 -9.211
107 HE3 LYS 20 2HE LYS 20 -1.761 5.535 -7.829
108 HZ1 LYS 20 3HZ LYS 20 0.282 4.058 -9.088
109 HZ2 LYS 20 1HZ LYS 20 0.158 5.733 -8.886
110 HZ3 LYS 20 2HZ LYS 20 -0.516 4.994 -10.250
111 H ALA 21 H ALA 21 -6.226 1.961 -5.698
112 HA ALA 21 HA ALA 21 -5.427 0.540 -3.254
113 HB1 ALA 21 3HB ALA 21 -7.907 0.422 -4.945
114 HB2 ALA 21 1HB ALA 21 -7.533 -0.804 -3.734
115 HB3 ALA 21 2HB ALA 21 -7.752 0.877 -3.248
116 H PHE 22 H PHE 22 -5.177 -1.787 -3.345
117 HA PHE 22 HA PHE 22 -4.512 -2.855 -5.994
118 HB2 PHE 22 1HB PHE 22 -2.720 -3.119 -3.570
119 HB3 PHE 22 2HB PHE 22 -2.423 -3.803 -5.165
120 HD1 PHE 22 HD1 PHE 22 -2.899 -0.567 -3.406
121 HD2 PHE 22 HD2 PHE 22 -1.225 -2.604 -6.747
122 HE1 PHE 22 HE1 PHE 22 -1.714 1.488 -4.060
123 HE2 PHE 22 HE2 PHE 22 -0.037 -0.553 -7.406
124 HZ PHE 22 HZ PHE 22 -0.280 1.496 -6.062
125 H SER 23 H SER 23 -3.976 -5.299 -5.750
126 HA SER 23 HA SER 23 -6.220 -6.477 -4.331
127 HB2 SER 23 1HB SER 23 -5.892 -7.181 -6.624
128 HB3 SER 23 2HB SER 23 -4.226 -7.648 -6.284
129 HG SER 23 HG SER 23 -6.424 -8.800 -4.927
130 H SER 24 H SER 24 -2.693 -6.666 -4.364
131 HA SER 24 HA SER 24 -2.801 -8.346 -1.951
132 HB2 SER 24 1HB SER 24 -0.566 -7.923 -3.947
133 HB3 SER 24 2HB SER 24 -0.417 -8.880 -2.473
134 HG SER 24 HG SER 24 -0.922 -10.243 -4.178
135 H LYS 25 H LYS 25 -1.132 -7.923 -0.303
136 HA LYS 25 HA LYS 25 -1.164 -5.204 0.495
137 HB2 LYS 25 1HB LYS 25 -1.137 -6.830 2.218
138 HB3 LYS 25 2HB LYS 25 0.267 -7.642 1.537
139 HG2 LYS 25 1HG LYS 25 1.738 -6.138 2.412
140 HG3 LYS 25 2HG LYS 25 0.571 -4.815 2.391
141 HD2 LYS 25 1HD LYS 25 0.808 -5.292 4.659
142 HD3 LYS 25 2HD LYS 25 -0.662 -6.161 4.210
143 HE2 LYS 25 1HE LYS 25 0.681 -7.607 5.565
144 HE3 LYS 25 2HE LYS 25 0.721 -8.210 3.909
145 HZ1 LYS 25 3HZ LYS 25 2.878 -7.196 3.610
146 HZ2 LYS 25 1HZ LYS 25 2.914 -8.228 4.950
147 HZ3 LYS 25 2HZ LYS 25 2.837 -6.554 5.174
148 H SER 26 H SER 26 1.559 -7.322 -0.419
149 HA SER 26 HA SER 26 3.651 -5.612 -0.319
150 HB2 SER 26 1HB SER 26 3.033 -7.647 -2.469
151 HB3 SER 26 2HB SER 26 4.594 -6.841 -2.313
152 HG SER 26 HG SER 26 3.517 -8.882 -0.835
153 H TYR 27 H TYR 27 1.481 -5.933 -3.127
154 HA TYR 27 HA TYR 27 2.547 -4.101 -4.835
155 HB2 TYR 27 1HB TYR 27 -0.276 -4.903 -4.253
156 HB3 TYR 27 2HB TYR 27 0.022 -3.579 -5.374
157 HD1 TYR 27 HD2 TYR 27 2.408 -4.464 -6.804
158 HD2 TYR 27 HD1 TYR 27 -0.982 -6.702 -5.538
159 HE1 TYR 27 HE2 TYR 27 2.808 -6.082 -8.613
160 HE2 TYR 27 HE1 TYR 27 -0.591 -8.327 -7.342
161 HH TYR 27 HH TYR 27 0.909 -9.034 -8.890
162 H LEU 28 H LEU 28 0.220 -3.377 -2.238
163 HA LEU 28 HA LEU 28 0.049 -0.629 -2.620
164 HB2 LEU 28 1HB LEU 28 -1.467 -1.782 -1.159
165 HB3 LEU 28 2HB LEU 28 -0.146 -2.258 -0.094
166 HG LEU 28 HG LEU 28 0.179 0.168 0.444
167 HD11 LEU 28 1HD1 LEU 28 -1.692 1.685 -0.047
168 HD12 LEU 28 2HD1 LEU 28 -2.419 0.439 -1.061
169 HD13 LEU 28 3HD1 LEU 28 -0.865 1.144 -1.508
170 HD21 LEU 28 3HD2 LEU 28 -0.936 -0.539 2.234
171 HD22 LEU 28 1HD2 LEU 28 -1.949 -1.609 1.265
172 HD23 LEU 28 2HD2 LEU 28 -2.401 0.083 1.471
173 H ILE 29 H ILE 29 2.267 -2.460 -0.531
174 HA ILE 29 HA ILE 29 3.630 -0.339 0.619
175 HB ILE 29 HB ILE 29 4.741 -3.030 -0.183
176 HG12 ILE 29 1HG1 ILE 29 3.872 -2.182 2.570
177 HG13 ILE 29 2HG1 ILE 29 2.717 -2.845 1.419
178 HG21 ILE 29 1HG2 ILE 29 6.530 -1.435 0.208
179 HG22 ILE 29 2HG2 ILE 29 5.814 -0.985 1.755
180 HG23 ILE 29 3HG2 ILE 29 6.458 -2.610 1.521
181 HD11 ILE 29 3HD1 ILE 29 4.818 -4.174 2.969
182 HD12 ILE 29 1HD1 ILE 29 3.280 -4.792 2.364
183 HD13 ILE 29 2HD1 ILE 29 4.677 -4.698 1.291
184 H ILE 30 H ILE 30 4.666 -2.203 -2.245
185 HA ILE 30 HA ILE 30 6.872 -0.770 -2.977
186 HB ILE 30 HB ILE 30 4.800 -1.893 -4.866
187 HG12 ILE 30 1HG1 ILE 30 7.357 -3.275 -4.184
188 HG13 ILE 30 2HG1 ILE 30 6.037 -3.341 -3.020
189 HG21 ILE 30 1HG2 ILE 30 7.690 -1.675 -5.539
190 HG22 ILE 30 2HG2 ILE 30 6.281 -1.672 -6.598
191 HG23 ILE 30 3HG2 ILE 30 6.681 -0.234 -5.659
192 HD11 ILE 30 3HD1 ILE 30 4.633 -4.468 -4.529
193 HD12 ILE 30 1HD1 ILE 30 5.688 -4.115 -5.897
194 HD13 ILE 30 2HD1 ILE 30 6.206 -5.254 -4.654
195 H HIS 31 H HIS 31 3.495 0.051 -3.580
196 HA HIS 31 HA HIS 31 3.995 2.269 -5.269
197 HB2 HIS 31 1HB HIS 31 1.814 1.326 -5.328
198 HB3 HIS 31 2HB HIS 31 1.623 1.473 -3.584
199 HD1 HIS 31 HD1 HIS 31 1.633 3.556 -6.722
200 HD2 HIS 31 HD2 HIS 31 0.630 3.893 -2.704
201 HE1 HIS 31 HE1 HIS 31 0.416 5.747 -6.514
202 H MET 32 H MET 32 3.355 2.010 -1.783
203 HA MET 32 HA MET 32 3.286 4.672 -1.097
204 HB2 MET 32 1HB MET 32 4.131 2.192 0.315
205 HB3 MET 32 2HB MET 32 4.540 3.732 1.060
206 HG2 MET 32 1HG MET 32 1.747 3.287 0.143
207 HG3 MET 32 2HG MET 32 2.298 2.493 1.617
208 HE1 MET 32 3HE MET 32 -0.070 4.520 1.198
209 HE2 MET 32 1HE MET 32 0.180 6.138 1.854
210 HE3 MET 32 2HE MET 32 0.728 5.754 0.223
211 H ARG 33 H ARG 33 5.988 2.791 -2.149
212 HA ARG 33 HA ARG 33 8.129 4.207 -1.089
213 HB2 ARG 33 1HB ARG 33 7.853 2.838 -3.768
214 HB3 ARG 33 2HB ARG 33 9.377 3.437 -3.127
215 HG2 ARG 33 1HG ARG 33 9.154 1.926 -1.210
216 HG3 ARG 33 2HG ARG 33 7.645 1.310 -1.887
217 HD2 ARG 33 1HD ARG 33 8.944 0.672 -3.939
218 HD3 ARG 33 2HD ARG 33 10.412 1.087 -3.055
219 HE ARG 33 HE ARG 33 8.850 -1.286 -2.771
220 HH11 ARG 33 1HH1 ARG 33 10.929 0.933 -1.075
221 HH12 ARG 33 2HH1 ARG 33 11.439 -0.237 0.097
222 HH21 ARG 33 1HH2 ARG 33 9.515 -2.835 -1.234
223 HH22 ARG 33 2HH2 ARG 33 10.635 -2.380 0.005
224 H THR 34 H THR 34 6.068 4.944 -3.836
225 HA THR 34 HA THR 34 7.626 7.055 -4.897
226 HB THR 34 HB THR 34 5.609 7.718 -6.117
227 HG1 THR 34 HG1 THR 34 3.644 6.683 -5.687
228 HG21 THR 34 3HG2 THR 34 6.489 6.048 -7.369
229 HG22 THR 34 1HG2 THR 34 5.028 5.196 -6.870
230 HG23 THR 34 2HG2 THR 34 6.545 4.919 -6.016
231 H HIS 35 H HIS 35 4.970 6.965 -2.559
232 HA HIS 35 HA HIS 35 4.846 9.808 -2.259
233 HB2 HIS 35 1HB HIS 35 3.711 7.534 -0.627
234 HB3 HIS 35 2HB HIS 35 3.432 9.230 -0.243
235 HD1 HIS 35 HD1 HIS 35 2.577 10.538 -2.686
236 HD2 HIS 35 HD2 HIS 35 1.573 6.575 -1.949
237 HE1 HIS 35 HE1 HIS 35 0.571 10.073 -4.130
238 H SER 36 H SER 36 5.930 7.209 -0.066
239 HA SER 36 HA SER 36 7.105 8.993 1.801
240 HB2 SER 36 1HB SER 36 7.254 6.022 1.362
241 HB3 SER 36 2HB SER 36 8.287 6.805 2.558
242 HG SER 36 HG SER 36 5.723 6.119 2.779
243 H GLY 37 H GLY 37 9.382 9.172 2.322
244 HA2 GLY 37 1HA GLY 37 11.496 8.269 0.766
245 HA3 GLY 37 2HA GLY 37 10.957 9.775 0.038
246 H GLU 38 H GLU 38 11.135 11.722 1.231
247 HA GLU 38 HA GLU 38 13.123 11.561 3.396
248 HB2 GLU 38 1HB GLU 38 12.694 13.485 1.163
249 HB3 GLU 38 2HB GLU 38 13.327 14.116 2.677
250 HG2 GLU 38 1HG GLU 38 15.130 12.397 2.551
251 HG3 GLU 38 2HG GLU 38 14.542 11.983 0.942
252 H LYS 39 H LYS 39 11.829 11.448 5.183
253 HA LYS 39 HA LYS 39 9.445 12.496 5.796
254 HB2 LYS 39 1HB LYS 39 11.302 11.326 7.286
255 HB3 LYS 39 2HB LYS 39 11.580 12.977 7.826
256 HG2 LYS 39 1HG LYS 39 8.809 11.869 7.820
257 HG3 LYS 39 2HG LYS 39 9.929 11.444 9.116
258 HD2 LYS 39 1HD LYS 39 10.069 13.628 9.885
259 HD3 LYS 39 2HD LYS 39 9.543 14.309 8.343
260 HE2 LYS 39 1HE LYS 39 7.652 14.594 9.614
261 HE3 LYS 39 2HE LYS 39 7.326 13.024 8.879
262 HZ1 LYS 39 3HZ LYS 39 7.359 13.615 11.565
263 HZ2 LYS 39 1HZ LYS 39 8.780 12.735 11.302
264 HZ3 LYS 39 2HZ LYS 39 7.284 12.075 10.868
265 HA PRO 40 HA PRO 40 9.644 16.874 5.279
266 HB2 PRO 40 1HB PRO 40 7.405 17.526 6.668
267 HB3 PRO 40 2HB PRO 40 7.358 16.792 5.061
268 HG2 PRO 40 1HG PRO 40 7.018 15.504 7.742
269 HG3 PRO 40 2HG PRO 40 6.095 15.244 6.250
270 HD2 PRO 40 1HD PRO 40 8.045 13.553 7.071
271 HD3 PRO 40 2HD PRO 40 7.695 13.847 5.355
272 H SER 41 H SER 41 10.669 18.469 6.328
273 HA SER 41 HA SER 41 11.682 19.668 7.975
274 HB2 SER 41 1HB SER 41 9.408 18.502 9.591
275 HB3 SER 41 2HB SER 41 10.540 19.696 10.227
276 HG SER 41 HG SER 41 9.407 21.163 9.262
277 H GLY 42 H GLY 42 12.768 17.162 7.352
278 HA2 GLY 42 1HA GLY 42 13.369 15.716 9.763
279 HA3 GLY 42 2HA GLY 42 14.095 15.460 8.183
280 HA PRO 43 HA PRO 43 17.355 17.245 10.919
281 HB2 PRO 43 1HB PRO 43 19.320 15.600 10.023
282 HB3 PRO 43 2HB PRO 43 18.215 15.155 11.329
283 HG2 PRO 43 1HG PRO 43 18.124 14.405 8.432
284 HG3 PRO 43 2HG PRO 43 17.837 13.393 9.859
285 HD2 PRO 43 1HD PRO 43 15.821 14.423 8.374
286 HD3 PRO 43 2HD PRO 43 15.679 14.159 10.123
287 H SER 44 H SER 44 17.346 16.398 7.493
288 HA SER 44 HA SER 44 18.606 18.943 6.871
289 HB2 SER 44 1HB SER 44 20.467 17.271 7.130
290 HB3 SER 44 2HB SER 44 19.768 16.370 5.785
291 HG SER 44 HG SER 44 20.702 17.717 4.487
292 H SER 45 H SER 45 17.018 19.742 5.637
293 HA SER 45 HA SER 45 15.822 18.022 3.578
294 HB2 SER 45 1HB SER 45 13.956 19.511 3.548
295 HB3 SER 45 2HB SER 45 14.345 19.239 5.246
296 HG SER 45 HG SER 45 14.062 21.530 4.185
297 H GLY 46 H GLY 46 16.127 18.395 1.462
298 HA2 GLY 46 1HA GLY 46 17.569 20.867 0.718
299 HA3 GLY 46 2HA GLY 46 17.931 19.303 0.004
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -31.317 7.209 -5.067
2 HA2 GLY 1 1HA GLY 1 -30.895 5.454 -3.144
3 HA3 GLY 1 2HA GLY 1 -32.484 4.920 -3.672
4 H SER 2 H SER 2 -32.728 4.016 -5.754
5 HA SER 2 HA SER 2 -32.046 2.410 -7.254
6 HB2 SER 2 1HB SER 2 -30.885 3.354 -9.089
7 HB3 SER 2 2HB SER 2 -31.741 4.706 -8.349
8 HG SER 2 HG SER 2 -29.897 5.576 -7.793
9 H SER 3 H SER 3 -30.851 1.922 -4.798
10 HA SER 3 HA SER 3 -28.026 1.424 -5.278
11 HB2 SER 3 1HB SER 3 -29.103 2.213 -3.044
12 HB3 SER 3 2HB SER 3 -29.524 0.513 -2.836
13 HG SER 3 HG SER 3 -27.342 1.481 -2.078
14 H GLY 4 H GLY 4 -27.071 -0.614 -5.337
15 HA2 GLY 4 1HA GLY 4 -28.882 -2.745 -6.206
16 HA3 GLY 4 2HA GLY 4 -27.145 -2.690 -6.471
17 H SER 5 H SER 5 -28.573 -4.937 -5.496
18 HA SER 5 HA SER 5 -27.932 -5.050 -2.647
19 HB2 SER 5 1HB SER 5 -29.072 -7.276 -2.747
20 HB3 SER 5 2HB SER 5 -30.101 -5.934 -3.247
21 HG SER 5 HG SER 5 -28.618 -7.397 -5.144
22 H SER 6 H SER 6 -25.653 -5.034 -2.833
23 HA SER 6 HA SER 6 -24.542 -7.670 -3.382
24 HB2 SER 6 1HB SER 6 -24.341 -6.203 -5.472
25 HB3 SER 6 2HB SER 6 -23.193 -5.236 -4.547
26 HG SER 6 HG SER 6 -22.462 -7.157 -5.925
27 H GLY 7 H GLY 7 -23.047 -8.238 -1.917
28 HA2 GLY 7 1HA GLY 7 -21.808 -6.096 -0.308
29 HA3 GLY 7 2HA GLY 7 -22.529 -7.502 0.461
30 H ALA 8 H ALA 8 -19.729 -6.429 0.387
31 HA ALA 8 HA ALA 8 -18.399 -8.933 0.259
32 HB1 ALA 8 3HB ALA 8 -18.374 -8.752 -2.080
33 HB2 ALA 8 1HB ALA 8 -17.998 -7.029 -2.029
34 HB3 ALA 8 2HB ALA 8 -16.774 -8.213 -1.568
35 H GLY 9 H GLY 9 -16.317 -8.859 1.145
36 HA2 GLY 9 1HA GLY 9 -15.733 -6.350 2.546
37 HA3 GLY 9 2HA GLY 9 -15.112 -7.938 2.971
38 H GLU 10 H GLU 10 -14.603 -5.068 1.148
39 HA GLU 10 HA GLU 10 -12.673 -5.894 -0.684
40 HB2 GLU 10 1HB GLU 10 -13.113 -3.280 0.742
41 HB3 GLU 10 2HB GLU 10 -11.814 -3.489 -0.424
42 HG2 GLU 10 1HG GLU 10 -13.793 -4.380 -1.929
43 HG3 GLU 10 2HG GLU 10 -14.746 -3.367 -0.846
44 H LYS 11 H LYS 11 -10.317 -5.321 -0.590
45 HA LYS 11 HA LYS 11 -9.075 -6.722 1.521
46 HB2 LYS 11 1HB LYS 11 -8.155 -5.154 -0.833
47 HB3 LYS 11 2HB LYS 11 -6.986 -5.443 0.449
48 HG2 LYS 11 1HG LYS 11 -6.617 -7.230 -0.947
49 HG3 LYS 11 2HG LYS 11 -7.743 -7.917 0.226
50 HD2 LYS 11 1HD LYS 11 -9.561 -7.130 -1.462
51 HD3 LYS 11 2HD LYS 11 -8.223 -7.098 -2.613
52 HE2 LYS 11 1HE LYS 11 -9.187 -9.235 -2.829
53 HE3 LYS 11 2HE LYS 11 -7.725 -9.475 -1.874
54 HZ1 LYS 11 3HZ LYS 11 -8.928 -10.298 -0.225
55 HZ2 LYS 11 1HZ LYS 11 -10.302 -10.219 -1.208
56 HZ3 LYS 11 2HZ LYS 11 -9.923 -8.931 -0.179
57 HA PRO 12 HA PRO 12 -8.595 -3.625 4.608
58 HB2 PRO 12 1HB PRO 12 -6.420 -4.615 5.896
59 HB3 PRO 12 2HB PRO 12 -8.027 -5.338 6.030
60 HG2 PRO 12 1HG PRO 12 -5.715 -6.167 4.320
61 HG3 PRO 12 2HG PRO 12 -6.819 -7.175 5.273
62 HD2 PRO 12 1HD PRO 12 -7.080 -6.858 2.597
63 HD3 PRO 12 2HD PRO 12 -8.473 -7.100 3.670
64 H TYR 13 H TYR 13 -6.381 -4.128 2.109
65 HA TYR 13 HA TYR 13 -4.552 -2.033 3.006
66 HB2 TYR 13 1HB TYR 13 -4.344 -3.477 0.379
67 HB3 TYR 13 2HB TYR 13 -3.064 -2.755 1.347
68 HD1 TYR 13 HD2 TYR 13 -2.712 -3.857 3.717
69 HD2 TYR 13 HD1 TYR 13 -4.611 -5.774 0.427
70 HE1 TYR 13 HE2 TYR 13 -2.230 -6.049 4.723
71 HE2 TYR 13 HE1 TYR 13 -4.135 -7.971 1.424
72 HH TYR 13 HH TYR 13 -3.605 -8.976 3.497
73 H GLY 14 H GLY 14 -4.082 -0.193 1.697
74 HA2 GLY 14 1HA GLY 14 -5.297 0.537 -0.677
75 HA3 GLY 14 2HA GLY 14 -6.410 1.023 0.594
76 H CYS 15 H CYS 15 -3.807 1.969 -1.262
77 HA CYS 15 HA CYS 15 -2.185 3.493 0.348
78 HB2 CYS 15 1HB CYS 15 -1.641 3.305 -1.959
79 HB3 CYS 15 2HB CYS 15 -3.183 3.995 -2.454
80 H SER 16 H SER 16 -3.033 4.632 2.009
81 HA SER 16 HA SER 16 -5.353 6.318 1.643
82 HB2 SER 16 1HB SER 16 -4.930 6.908 4.060
83 HB3 SER 16 2HB SER 16 -5.185 5.190 3.754
84 HG SER 16 HG SER 16 -3.395 5.133 4.925
85 H GLU 17 H GLU 17 -3.238 7.060 -0.033
86 HA GLU 17 HA GLU 17 -2.507 9.677 1.107
87 HB2 GLU 17 1HB GLU 17 -0.523 8.257 0.903
88 HB3 GLU 17 2HB GLU 17 -0.882 7.980 -0.796
89 HG2 GLU 17 1HG GLU 17 0.668 9.618 -1.010
90 HG3 GLU 17 2HG GLU 17 -0.780 10.615 -0.884
91 H CYS 18 H CYS 18 -2.832 7.949 -1.997
92 HA CYS 18 HA CYS 18 -3.881 10.437 -3.172
93 HB2 CYS 18 1HB CYS 18 -3.079 9.729 -5.286
94 HB3 CYS 18 2HB CYS 18 -1.776 9.393 -4.150
95 H GLY 19 H GLY 19 -4.359 6.931 -3.000
96 HA2 GLY 19 1HA GLY 19 -6.766 6.327 -2.610
97 HA3 GLY 19 2HA GLY 19 -7.110 7.351 -3.996
98 H LYS 20 H LYS 20 -4.491 5.004 -3.563
99 HA LYS 20 HA LYS 20 -5.563 3.531 -5.880
100 HB2 LYS 20 1HB LYS 20 -3.229 4.785 -5.902
101 HB3 LYS 20 2HB LYS 20 -2.692 3.321 -5.090
102 HG2 LYS 20 1HG LYS 20 -3.323 1.966 -6.937
103 HG3 LYS 20 2HG LYS 20 -4.164 3.310 -7.712
104 HD2 LYS 20 1HD LYS 20 -1.963 4.495 -7.852
105 HD3 LYS 20 2HD LYS 20 -1.195 3.013 -7.276
106 HE2 LYS 20 1HE LYS 20 -2.590 1.967 -9.275
107 HE3 LYS 20 2HE LYS 20 -2.465 3.612 -9.895
108 HZ1 LYS 20 3HZ LYS 20 -0.064 3.472 -9.693
109 HZ2 LYS 20 1HZ LYS 20 -0.648 2.226 -10.677
110 HZ3 LYS 20 2HZ LYS 20 -0.179 1.897 -9.085
111 H ALA 21 H ALA 21 -6.374 1.614 -5.382
112 HA ALA 21 HA ALA 21 -5.461 0.260 -2.947
113 HB1 ALA 21 3HB ALA 21 -7.502 -1.141 -3.260
114 HB2 ALA 21 1HB ALA 21 -7.829 0.576 -3.025
115 HB3 ALA 21 2HB ALA 21 -7.923 -0.127 -4.640
116 H PHE 22 H PHE 22 -4.786 -1.889 -2.951
117 HA PHE 22 HA PHE 22 -4.262 -3.085 -5.586
118 HB2 PHE 22 1HB PHE 22 -2.305 -3.122 -3.282
119 HB3 PHE 22 2HB PHE 22 -2.043 -3.746 -4.908
120 HD1 PHE 22 HD1 PHE 22 -2.373 -0.705 -2.873
121 HD2 PHE 22 HD2 PHE 22 -1.443 -2.302 -6.708
122 HE1 PHE 22 HE1 PHE 22 -1.452 1.472 -3.553
123 HE2 PHE 22 HE2 PHE 22 -0.520 -0.127 -7.394
124 HZ PHE 22 HZ PHE 22 -0.522 1.763 -5.815
125 H SER 23 H SER 23 -4.538 -5.263 -5.735
126 HA SER 23 HA SER 23 -6.228 -6.575 -3.975
127 HB2 SER 23 1HB SER 23 -4.232 -7.841 -5.869
128 HB3 SER 23 2HB SER 23 -5.649 -8.632 -5.180
129 HG SER 23 HG SER 23 -6.069 -6.240 -6.537
130 H SER 24 H SER 24 -2.693 -6.737 -4.202
131 HA SER 24 HA SER 24 -2.635 -8.299 -1.716
132 HB2 SER 24 1HB SER 24 -0.607 -7.871 -3.907
133 HB3 SER 24 2HB SER 24 -0.161 -8.562 -2.347
134 HG SER 24 HG SER 24 -2.111 -10.007 -2.903
135 H LYS 25 H LYS 25 -0.752 -7.768 -0.242
136 HA LYS 25 HA LYS 25 -0.910 -4.968 0.433
137 HB2 LYS 25 1HB LYS 25 -0.942 -6.910 2.086
138 HB3 LYS 25 2HB LYS 25 0.786 -7.056 1.795
139 HG2 LYS 25 1HG LYS 25 -0.313 -4.404 2.573
140 HG3 LYS 25 2HG LYS 25 -0.138 -5.655 3.806
141 HD2 LYS 25 1HD LYS 25 2.256 -5.912 2.969
142 HD3 LYS 25 2HD LYS 25 1.996 -4.398 2.099
143 HE2 LYS 25 1HE LYS 25 2.945 -3.682 4.087
144 HE3 LYS 25 2HE LYS 25 1.219 -3.492 4.395
145 HZ1 LYS 25 3HZ LYS 25 1.279 -5.009 6.008
146 HZ2 LYS 25 1HZ LYS 25 2.962 -4.841 5.971
147 HZ3 LYS 25 2HZ LYS 25 2.218 -6.088 5.105
148 H SER 26 H SER 26 1.698 -7.246 -0.389
149 HA SER 26 HA SER 26 3.889 -5.631 -0.248
150 HB2 SER 26 1HB SER 26 3.314 -7.620 -2.458
151 HB3 SER 26 2HB SER 26 4.907 -7.019 -1.999
152 HG SER 26 HG SER 26 3.142 -8.516 -0.353
153 H TYR 27 H TYR 27 1.761 -5.957 -3.085
154 HA TYR 27 HA TYR 27 2.991 -4.208 -4.807
155 HB2 TYR 27 1HB TYR 27 0.780 -5.654 -5.005
156 HB3 TYR 27 2HB TYR 27 0.011 -4.116 -4.629
157 HD1 TYR 27 HD2 TYR 27 1.523 -2.143 -6.052
158 HD2 TYR 27 HD1 TYR 27 0.531 -6.102 -7.255
159 HE1 TYR 27 HE2 TYR 27 1.712 -1.468 -8.409
160 HE2 TYR 27 HE1 TYR 27 0.719 -5.438 -9.616
161 HH TYR 27 HH TYR 27 0.671 -2.372 -10.672
162 H LEU 28 H LEU 28 0.445 -3.390 -2.450
163 HA LEU 28 HA LEU 28 0.223 -0.696 -2.886
164 HB2 LEU 28 1HB LEU 28 -1.245 -1.687 -1.343
165 HB3 LEU 28 2HB LEU 28 0.079 -2.303 -0.356
166 HG LEU 28 HG LEU 28 0.596 0.050 0.293
167 HD11 LEU 28 1HD1 LEU 28 -0.837 1.826 -0.221
168 HD12 LEU 28 2HD1 LEU 28 -2.095 0.753 -0.833
169 HD13 LEU 28 3HD1 LEU 28 -0.609 0.984 -1.754
170 HD21 LEU 28 3HD2 LEU 28 -0.881 0.005 2.040
171 HD22 LEU 28 1HD2 LEU 28 -1.039 -1.653 1.459
172 HD23 LEU 28 2HD2 LEU 28 -2.248 -0.446 1.020
173 H ILE 29 H ILE 29 2.612 -2.336 -0.839
174 HA ILE 29 HA ILE 29 3.890 -0.089 0.194
175 HB ILE 29 HB ILE 29 5.154 -2.737 -0.524
176 HG12 ILE 29 1HG1 ILE 29 4.088 -1.852 2.158
177 HG13 ILE 29 2HG1 ILE 29 3.127 -2.777 1.009
178 HG21 ILE 29 1HG2 ILE 29 6.510 -0.521 0.104
179 HG22 ILE 29 2HG2 ILE 29 6.140 -1.095 1.729
180 HG23 ILE 29 3HG2 ILE 29 7.022 -2.132 0.607
181 HD11 ILE 29 3HD1 ILE 29 5.064 -4.459 1.067
182 HD12 ILE 29 1HD1 ILE 29 5.556 -3.615 2.535
183 HD13 ILE 29 2HD1 ILE 29 3.970 -4.383 2.448
184 H ILE 30 H ILE 30 4.849 -2.019 -2.650
185 HA ILE 30 HA ILE 30 6.991 -0.524 -3.505
186 HB ILE 30 HB ILE 30 4.934 -1.841 -5.282
187 HG12 ILE 30 1HG1 ILE 30 7.553 -3.077 -4.531
188 HG13 ILE 30 2HG1 ILE 30 6.217 -3.156 -3.388
189 HG21 ILE 30 1HG2 ILE 30 7.829 -1.259 -5.873
190 HG22 ILE 30 2HG2 ILE 30 6.610 -1.890 -6.979
191 HG23 ILE 30 3HG2 ILE 30 6.494 -0.231 -6.393
192 HD11 ILE 30 3HD1 ILE 30 5.466 -4.931 -4.463
193 HD12 ILE 30 1HD1 ILE 30 5.175 -3.921 -5.879
194 HD13 ILE 30 2HD1 ILE 30 6.718 -4.757 -5.693
195 H HIS 31 H HIS 31 3.601 0.228 -3.723
196 HA HIS 31 HA HIS 31 3.914 2.341 -5.645
197 HB2 HIS 31 1HB HIS 31 1.788 1.237 -5.565
198 HB3 HIS 31 2HB HIS 31 1.630 1.542 -3.838
199 HD1 HIS 31 HD1 HIS 31 1.497 3.330 -7.155
200 HD2 HIS 31 HD2 HIS 31 0.511 3.968 -3.170
201 HE1 HIS 31 HE1 HIS 31 0.173 5.468 -7.124
202 H MET 32 H MET 32 3.363 2.186 -2.136
203 HA MET 32 HA MET 32 3.282 4.931 -1.643
204 HB2 MET 32 1HB MET 32 4.180 2.632 0.093
205 HB3 MET 32 2HB MET 32 4.038 4.282 0.685
206 HG2 MET 32 1HG MET 32 1.825 2.561 -0.404
207 HG3 MET 32 2HG MET 32 2.074 3.034 1.275
208 HE1 MET 32 3HE MET 32 1.940 5.166 2.208
209 HE2 MET 32 1HE MET 32 0.995 6.534 1.619
210 HE3 MET 32 2HE MET 32 0.182 5.051 2.119
211 H ARG 33 H ARG 33 5.916 2.905 -2.488
212 HA ARG 33 HA ARG 33 8.135 3.951 -1.346
213 HB2 ARG 33 1HB ARG 33 7.652 3.139 -4.205
214 HB3 ARG 33 2HB ARG 33 9.241 3.646 -3.647
215 HG2 ARG 33 1HG ARG 33 9.011 1.848 -1.861
216 HG3 ARG 33 2HG ARG 33 7.646 1.250 -2.806
217 HD2 ARG 33 1HD ARG 33 10.502 1.544 -3.724
218 HD3 ARG 33 2HD ARG 33 9.635 0.039 -3.424
219 HE ARG 33 HE ARG 33 8.120 1.197 -5.312
220 HH11 ARG 33 1HH1 ARG 33 11.550 0.648 -5.084
221 HH12 ARG 33 2HH1 ARG 33 11.774 0.508 -6.796
222 HH21 ARG 33 1HH2 ARG 33 8.401 1.014 -7.568
223 HH22 ARG 33 2HH2 ARG 33 9.982 0.717 -8.208
224 H THR 34 H THR 34 6.199 5.455 -3.877
225 HA THR 34 HA THR 34 7.988 7.724 -4.086
226 HB THR 34 HB THR 34 6.702 6.798 -6.051
227 HG1 THR 34 HG1 THR 34 6.526 9.531 -5.297
228 HG21 THR 34 3HG2 THR 34 4.369 7.574 -6.305
229 HG22 THR 34 1HG2 THR 34 4.399 8.152 -4.640
230 HG23 THR 34 2HG2 THR 34 4.556 6.428 -4.978
231 H HIS 35 H HIS 35 4.815 6.989 -2.728
232 HA HIS 35 HA HIS 35 4.117 9.624 -2.006
233 HB2 HIS 35 1HB HIS 35 3.244 6.914 -1.034
234 HB3 HIS 35 2HB HIS 35 2.630 8.389 -0.293
235 HD1 HIS 35 HD1 HIS 35 2.310 10.042 -2.934
236 HD2 HIS 35 HD2 HIS 35 0.963 6.155 -2.353
237 HE1 HIS 35 HE1 HIS 35 0.453 9.717 -4.599
238 H SER 36 H SER 36 6.041 10.513 -1.117
239 HA SER 36 HA SER 36 6.878 9.458 1.485
240 HB2 SER 36 1HB SER 36 8.753 11.141 1.226
241 HB3 SER 36 2HB SER 36 8.727 9.854 0.021
242 HG SER 36 HG SER 36 7.410 12.285 -0.488
243 H GLY 37 H GLY 37 5.280 12.163 -0.008
244 HA2 GLY 37 1HA GLY 37 4.306 14.057 0.858
245 HA3 GLY 37 2HA GLY 37 3.978 13.046 2.258
246 H GLU 38 H GLU 38 6.590 14.957 0.779
247 HA GLU 38 HA GLU 38 7.906 15.295 3.325
248 HB2 GLU 38 1HB GLU 38 9.572 16.533 2.115
249 HB3 GLU 38 2HB GLU 38 9.151 15.111 1.171
250 HG2 GLU 38 1HG GLU 38 8.124 16.326 -0.469
251 HG3 GLU 38 2HG GLU 38 7.726 17.658 0.615
252 H LYS 39 H LYS 39 5.285 16.715 1.864
253 HA LYS 39 HA LYS 39 5.502 19.055 3.613
254 HB2 LYS 39 1HB LYS 39 6.154 19.631 1.225
255 HB3 LYS 39 2HB LYS 39 4.489 19.279 0.779
256 HG2 LYS 39 1HG LYS 39 4.606 21.609 1.047
257 HG3 LYS 39 2HG LYS 39 3.802 21.003 2.497
258 HD2 LYS 39 1HD LYS 39 5.341 22.529 3.342
259 HD3 LYS 39 2HD LYS 39 6.170 20.981 3.526
260 HE2 LYS 39 1HE LYS 39 7.264 21.445 1.299
261 HE3 LYS 39 2HE LYS 39 6.606 23.077 1.408
262 HZ1 LYS 39 3HZ LYS 39 8.011 23.632 3.092
263 HZ2 LYS 39 1HZ LYS 39 8.992 22.510 2.292
264 HZ3 LYS 39 2HZ LYS 39 8.141 22.052 3.681
265 HA PRO 40 HA PRO 40 1.413 17.793 4.700
266 HB2 PRO 40 1HB PRO 40 0.669 20.040 6.029
267 HB3 PRO 40 2HB PRO 40 1.791 18.852 6.703
268 HG2 PRO 40 1HG PRO 40 2.378 21.463 5.362
269 HG3 PRO 40 2HG PRO 40 3.109 20.764 6.819
270 HD2 PRO 40 1HD PRO 40 4.315 20.671 4.396
271 HD3 PRO 40 2HD PRO 40 4.510 19.390 5.610
272 H SER 41 H SER 41 2.175 19.970 2.352
273 HA SER 41 HA SER 41 -0.394 21.210 1.986
274 HB2 SER 41 1HB SER 41 1.512 22.441 1.218
275 HB3 SER 41 2HB SER 41 2.084 21.076 0.258
276 HG SER 41 HG SER 41 1.009 22.672 -1.006
277 H GLY 42 H GLY 42 -2.057 20.553 0.745
278 HA2 GLY 42 1HA GLY 42 -1.641 18.165 -0.942
279 HA3 GLY 42 2HA GLY 42 -3.020 18.292 0.140
280 HA PRO 43 HA PRO 43 -3.861 20.119 -4.172
281 HB2 PRO 43 1HB PRO 43 -5.425 18.124 -5.142
282 HB3 PRO 43 2HB PRO 43 -3.674 18.170 -5.375
283 HG2 PRO 43 1HG PRO 43 -5.278 16.627 -3.373
284 HG3 PRO 43 2HG PRO 43 -3.890 16.098 -4.342
285 HD2 PRO 43 1HD PRO 43 -3.661 16.824 -1.743
286 HD3 PRO 43 2HD PRO 43 -2.364 17.089 -2.927
287 H SER 44 H SER 44 -5.427 19.136 -1.389
288 HA SER 44 HA SER 44 -7.341 19.857 -0.378
289 HB2 SER 44 1HB SER 44 -6.792 21.969 -1.821
290 HB3 SER 44 2HB SER 44 -8.140 21.416 -2.816
291 HG SER 44 HG SER 44 -9.399 21.412 -0.847
292 H SER 45 H SER 45 -7.267 17.437 -1.802
293 HA SER 45 HA SER 45 -8.575 15.838 -2.785
294 HB2 SER 45 1HB SER 45 -9.685 16.434 -0.508
295 HB3 SER 45 2HB SER 45 -10.934 17.187 -1.500
296 HG SER 45 HG SER 45 -10.850 14.708 -0.850
297 H GLY 46 H GLY 46 -8.097 18.014 -4.493
298 HA2 GLY 46 1HA GLY 46 -8.794 18.669 -6.591
299 HA3 GLY 46 2HA GLY 46 -10.188 17.617 -6.399
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -33.530 -2.631 12.991
2 HA2 GLY 1 1HA GLY 1 -33.404 -1.105 15.221
3 HA3 GLY 1 2HA GLY 1 -31.756 -1.699 15.074
4 H SER 2 H SER 2 -30.388 -0.572 13.853
5 HA SER 2 HA SER 2 -31.360 0.997 11.609
6 HB2 SER 2 1HB SER 2 -31.593 2.556 13.485
7 HB3 SER 2 2HB SER 2 -29.912 2.280 13.940
8 HG SER 2 HG SER 2 -29.628 2.969 11.546
9 H SER 3 H SER 3 -30.020 0.639 9.981
10 HA SER 3 HA SER 3 -27.147 0.356 10.536
11 HB2 SER 3 1HB SER 3 -28.333 -1.875 10.146
12 HB3 SER 3 2HB SER 3 -28.572 -1.338 8.483
13 HG SER 3 HG SER 3 -26.338 -2.314 9.681
14 H GLY 4 H GLY 4 -25.899 0.400 8.352
15 HA2 GLY 4 1HA GLY 4 -26.565 1.380 5.984
16 HA3 GLY 4 2HA GLY 4 -26.795 2.813 6.974
17 H SER 5 H SER 5 -24.529 0.761 5.408
18 HA SER 5 HA SER 5 -22.468 2.710 5.571
19 HB2 SER 5 1HB SER 5 -20.816 1.375 6.832
20 HB3 SER 5 2HB SER 5 -22.206 1.801 7.831
21 HG SER 5 HG SER 5 -22.982 -0.275 7.605
22 H SER 6 H SER 6 -20.295 1.614 4.778
23 HA SER 6 HA SER 6 -21.040 -0.118 2.517
24 HB2 SER 6 1HB SER 6 -18.802 1.902 2.774
25 HB3 SER 6 2HB SER 6 -19.009 0.821 1.396
26 HG SER 6 HG SER 6 -21.138 1.786 1.168
27 H GLY 7 H GLY 7 -19.301 -1.581 1.735
28 HA2 GLY 7 1HA GLY 7 -17.006 -2.315 3.002
29 HA3 GLY 7 2HA GLY 7 -18.262 -3.093 3.954
30 H ALA 8 H ALA 8 -16.169 -3.508 1.433
31 HA ALA 8 HA ALA 8 -17.489 -5.963 0.636
32 HB1 ALA 8 3HB ALA 8 -16.887 -5.138 -1.849
33 HB2 ALA 8 1HB ALA 8 -18.477 -4.934 -1.113
34 HB3 ALA 8 2HB ALA 8 -17.327 -3.595 -1.116
35 H GLY 9 H GLY 9 -16.087 -7.482 -0.295
36 HA2 GLY 9 1HA GLY 9 -14.074 -8.528 -0.641
37 HA3 GLY 9 2HA GLY 9 -13.472 -6.965 -1.171
38 H GLU 10 H GLU 10 -12.527 -9.289 0.671
39 HA GLU 10 HA GLU 10 -12.075 -7.926 3.177
40 HB2 GLU 10 1HB GLU 10 -12.388 -10.467 2.797
41 HB3 GLU 10 2HB GLU 10 -10.696 -10.454 2.319
42 HG2 GLU 10 1HG GLU 10 -10.627 -11.029 4.560
43 HG3 GLU 10 2HG GLU 10 -10.270 -9.303 4.567
44 H LYS 11 H LYS 11 -11.072 -6.352 1.210
45 HA LYS 11 HA LYS 11 -8.158 -6.670 1.515
46 HB2 LYS 11 1HB LYS 11 -7.970 -5.381 -0.637
47 HB3 LYS 11 2HB LYS 11 -8.654 -6.993 -0.797
48 HG2 LYS 11 1HG LYS 11 -10.720 -6.215 -1.356
49 HG3 LYS 11 2HG LYS 11 -10.528 -4.721 -0.435
50 HD2 LYS 11 1HD LYS 11 -8.946 -5.284 -2.929
51 HD3 LYS 11 2HD LYS 11 -10.538 -4.523 -2.975
52 HE2 LYS 11 1HE LYS 11 -8.436 -3.422 -1.165
53 HE3 LYS 11 2HE LYS 11 -8.361 -3.068 -2.891
54 HZ1 LYS 11 3HZ LYS 11 -9.880 -1.767 -0.997
55 HZ2 LYS 11 1HZ LYS 11 -10.989 -2.678 -1.894
56 HZ3 LYS 11 2HZ LYS 11 -9.970 -1.578 -2.676
57 HA PRO 12 HA PRO 12 -9.394 -2.774 3.655
58 HB2 PRO 12 1HB PRO 12 -7.628 -3.081 5.694
59 HB3 PRO 12 2HB PRO 12 -9.236 -3.815 5.697
60 HG2 PRO 12 1HG PRO 12 -6.593 -5.044 5.013
61 HG3 PRO 12 2HG PRO 12 -7.922 -5.713 5.977
62 HD2 PRO 12 1HD PRO 12 -7.507 -6.403 3.391
63 HD3 PRO 12 2HD PRO 12 -9.128 -6.336 4.114
64 H TYR 13 H TYR 13 -6.844 -3.850 1.874
65 HA TYR 13 HA TYR 13 -4.949 -1.770 2.542
66 HB2 TYR 13 1HB TYR 13 -4.813 -3.517 0.097
67 HB3 TYR 13 2HB TYR 13 -3.491 -2.784 0.999
68 HD1 TYR 13 HD2 TYR 13 -3.067 -3.650 3.379
69 HD2 TYR 13 HD1 TYR 13 -5.467 -5.717 0.537
70 HE1 TYR 13 HE2 TYR 13 -2.781 -5.731 4.659
71 HE2 TYR 13 HE1 TYR 13 -5.188 -7.803 1.810
72 HH TYR 13 HH TYR 13 -4.527 -8.661 3.817
73 H GLY 14 H GLY 14 -4.584 0.097 1.448
74 HA2 GLY 14 1HA GLY 14 -5.298 0.719 -1.158
75 HA3 GLY 14 2HA GLY 14 -6.677 1.152 -0.158
76 H CYS 15 H CYS 15 -3.614 2.091 -1.291
77 HA CYS 15 HA CYS 15 -2.599 3.796 0.591
78 HB2 CYS 15 1HB CYS 15 -1.424 3.456 -1.471
79 HB3 CYS 15 2HB CYS 15 -2.749 4.141 -2.406
80 H SER 16 H SER 16 -3.262 5.580 1.590
81 HA SER 16 HA SER 16 -5.740 6.845 0.682
82 HB2 SER 16 1HB SER 16 -4.247 7.019 3.309
83 HB3 SER 16 2HB SER 16 -5.721 7.915 2.946
84 HG SER 16 HG SER 16 -6.214 5.995 4.036
85 H GLU 17 H GLU 17 -2.347 7.474 1.150
86 HA GLU 17 HA GLU 17 -2.187 10.201 1.252
87 HB2 GLU 17 1HB GLU 17 -0.478 8.091 0.033
88 HB3 GLU 17 2HB GLU 17 -0.127 9.762 -0.385
89 HG2 GLU 17 1HG GLU 17 0.285 10.335 1.876
90 HG3 GLU 17 2HG GLU 17 -0.353 8.796 2.450
91 H CYS 18 H CYS 18 -2.665 8.203 -1.636
92 HA CYS 18 HA CYS 18 -3.474 10.640 -3.082
93 HB2 CYS 18 1HB CYS 18 -2.521 9.807 -5.095
94 HB3 CYS 18 2HB CYS 18 -1.293 9.600 -3.850
95 H GLY 19 H GLY 19 -3.997 7.199 -2.559
96 HA2 GLY 19 1HA GLY 19 -6.303 6.435 -2.388
97 HA3 GLY 19 2HA GLY 19 -6.699 7.533 -3.701
98 H LYS 20 H LYS 20 -4.049 5.190 -3.375
99 HA LYS 20 HA LYS 20 -5.004 3.925 -5.858
100 HB2 LYS 20 1HB LYS 20 -2.727 5.076 -5.835
101 HB3 LYS 20 2HB LYS 20 -2.195 3.781 -4.771
102 HG2 LYS 20 1HG LYS 20 -1.542 2.919 -6.766
103 HG3 LYS 20 2HG LYS 20 -3.182 2.270 -6.699
104 HD2 LYS 20 1HD LYS 20 -3.991 4.053 -8.110
105 HD3 LYS 20 2HD LYS 20 -2.410 4.838 -8.084
106 HE2 LYS 20 1HE LYS 20 -2.694 2.027 -9.073
107 HE3 LYS 20 2HE LYS 20 -3.086 3.385 -10.127
108 HZ1 LYS 20 3HZ LYS 20 -0.489 3.131 -8.721
109 HZ2 LYS 20 1HZ LYS 20 -0.888 4.196 -9.974
110 HZ3 LYS 20 2HZ LYS 20 -0.752 2.539 -10.284
111 H ALA 21 H ALA 21 -5.962 2.036 -5.535
112 HA ALA 21 HA ALA 21 -5.294 0.455 -3.169
113 HB1 ALA 21 3HB ALA 21 -7.605 0.494 -5.063
114 HB2 ALA 21 1HB ALA 21 -7.300 -0.928 -4.065
115 HB3 ALA 21 2HB ALA 21 -7.593 0.637 -3.306
116 H PHE 22 H PHE 22 -5.270 -1.969 -3.484
117 HA PHE 22 HA PHE 22 -4.291 -2.883 -6.055
118 HB2 PHE 22 1HB PHE 22 -2.555 -3.015 -3.581
119 HB3 PHE 22 2HB PHE 22 -2.194 -3.791 -5.119
120 HD1 PHE 22 HD1 PHE 22 -2.568 -0.542 -3.421
121 HD2 PHE 22 HD2 PHE 22 -1.242 -2.581 -6.914
122 HE1 PHE 22 HE1 PHE 22 -1.430 1.504 -4.179
123 HE2 PHE 22 HE2 PHE 22 -0.101 -0.540 -7.677
124 HZ PHE 22 HZ PHE 22 -0.193 1.506 -6.309
125 H SER 23 H SER 23 -3.493 -5.315 -5.677
126 HA SER 23 HA SER 23 -5.811 -6.686 -4.687
127 HB2 SER 23 1HB SER 23 -4.427 -7.338 -6.732
128 HB3 SER 23 2HB SER 23 -3.239 -7.977 -5.596
129 HG SER 23 HG SER 23 -5.180 -9.313 -6.513
130 H SER 24 H SER 24 -2.349 -6.761 -3.847
131 HA SER 24 HA SER 24 -3.119 -7.764 -1.183
132 HB2 SER 24 1HB SER 24 -1.030 -8.971 -1.073
133 HB3 SER 24 2HB SER 24 -1.834 -9.398 -2.583
134 HG SER 24 HG SER 24 0.096 -7.337 -2.433
135 H LYS 25 H LYS 25 -1.273 -7.310 0.455
136 HA LYS 25 HA LYS 25 -1.061 -4.509 0.737
137 HB2 LYS 25 1HB LYS 25 0.335 -5.009 2.695
138 HB3 LYS 25 2HB LYS 25 -1.119 -5.998 2.668
139 HG2 LYS 25 1HG LYS 25 0.040 -7.933 2.221
140 HG3 LYS 25 2HG LYS 25 1.405 -7.076 1.502
141 HD2 LYS 25 1HD LYS 25 2.179 -7.875 3.582
142 HD3 LYS 25 2HD LYS 25 1.862 -6.155 3.823
143 HE2 LYS 25 1HE LYS 25 -0.324 -6.719 4.803
144 HE3 LYS 25 2HE LYS 25 0.039 -8.432 4.598
145 HZ1 LYS 25 3HZ LYS 25 0.482 -7.312 6.860
146 HZ2 LYS 25 1HZ LYS 25 1.879 -6.707 6.120
147 HZ3 LYS 25 2HZ LYS 25 1.639 -8.378 6.237
148 H SER 26 H SER 26 1.133 -6.962 -0.481
149 HA SER 26 HA SER 26 3.512 -5.509 -0.495
150 HB2 SER 26 1HB SER 26 2.505 -7.667 -2.357
151 HB3 SER 26 2HB SER 26 4.145 -7.022 -2.424
152 HG SER 26 HG SER 26 4.586 -8.380 -0.896
153 H TYR 27 H TYR 27 1.144 -5.883 -3.134
154 HA TYR 27 HA TYR 27 2.328 -4.235 -5.005
155 HB2 TYR 27 1HB TYR 27 -0.477 -5.071 -4.451
156 HB3 TYR 27 2HB TYR 27 -0.227 -3.748 -5.585
157 HD1 TYR 27 HD2 TYR 27 1.874 -4.337 -7.271
158 HD2 TYR 27 HD1 TYR 27 -0.767 -7.124 -5.438
159 HE1 TYR 27 HE2 TYR 27 2.352 -5.956 -9.059
160 HE2 TYR 27 HE1 TYR 27 -0.295 -8.752 -7.220
161 HH TYR 27 HH TYR 27 0.498 -8.661 -9.634
162 H LEU 28 H LEU 28 0.334 -3.372 -2.239
163 HA LEU 28 HA LEU 28 0.099 -0.610 -2.937
164 HB2 LEU 28 1HB LEU 28 -1.592 -1.435 -1.547
165 HB3 LEU 28 2HB LEU 28 -0.442 -2.206 -0.457
166 HG LEU 28 HG LEU 28 0.259 0.068 0.297
167 HD11 LEU 28 1HD1 LEU 28 -0.301 1.754 -1.053
168 HD12 LEU 28 2HD1 LEU 28 -1.896 1.652 -0.307
169 HD13 LEU 28 3HD1 LEU 28 -1.581 0.825 -1.833
170 HD21 LEU 28 3HD2 LEU 28 -1.803 0.485 1.620
171 HD22 LEU 28 1HD2 LEU 28 -1.269 -1.196 1.647
172 HD23 LEU 28 2HD2 LEU 28 -2.632 -0.720 0.633
173 H ILE 29 H ILE 29 2.180 -2.464 -0.753
174 HA ILE 29 HA ILE 29 3.522 -0.338 0.453
175 HB ILE 29 HB ILE 29 4.545 -3.102 -0.202
176 HG12 ILE 29 1HG1 ILE 29 3.767 -2.154 2.527
177 HG13 ILE 29 2HG1 ILE 29 2.501 -2.610 1.392
178 HG21 ILE 29 1HG2 ILE 29 5.702 -0.956 1.567
179 HG22 ILE 29 2HG2 ILE 29 6.203 -2.646 1.607
180 HG23 ILE 29 3HG2 ILE 29 6.442 -1.691 0.144
181 HD11 ILE 29 3HD1 ILE 29 3.418 -4.365 3.038
182 HD12 ILE 29 1HD1 ILE 29 3.155 -4.823 1.355
183 HD13 ILE 29 2HD1 ILE 29 4.784 -4.457 1.927
184 H ILE 30 H ILE 30 4.385 -2.179 -2.467
185 HA ILE 30 HA ILE 30 6.765 -0.874 -3.076
186 HB ILE 30 HB ILE 30 4.755 -1.957 -5.053
187 HG12 ILE 30 1HG1 ILE 30 7.145 -3.391 -3.895
188 HG13 ILE 30 2HG1 ILE 30 5.533 -3.525 -3.200
189 HG21 ILE 30 1HG2 ILE 30 6.744 -0.446 -5.785
190 HG22 ILE 30 2HG2 ILE 30 7.710 -1.887 -5.474
191 HG23 ILE 30 3HG2 ILE 30 6.409 -1.938 -6.662
192 HD11 ILE 30 3HD1 ILE 30 6.614 -4.632 -5.721
193 HD12 ILE 30 1HD1 ILE 30 5.515 -5.348 -4.544
194 HD13 ILE 30 2HD1 ILE 30 4.918 -4.152 -5.695
195 H HIS 31 H HIS 31 3.440 0.060 -3.707
196 HA HIS 31 HA HIS 31 4.052 2.205 -5.474
197 HB2 HIS 31 1HB HIS 31 1.852 1.400 -5.638
198 HB3 HIS 31 2HB HIS 31 1.616 1.425 -3.893
199 HD1 HIS 31 HD1 HIS 31 1.500 3.607 -6.918
200 HD2 HIS 31 HD2 HIS 31 0.879 3.913 -2.821
201 HE1 HIS 31 HE1 HIS 31 0.371 5.828 -6.572
202 H MET 32 H MET 32 3.478 1.973 -1.993
203 HA MET 32 HA MET 32 3.380 4.663 -1.343
204 HB2 MET 32 1HB MET 32 4.566 2.362 0.216
205 HB3 MET 32 2HB MET 32 4.270 3.959 0.889
206 HG2 MET 32 1HG MET 32 2.249 1.974 -0.105
207 HG3 MET 32 2HG MET 32 2.469 2.571 1.538
208 HE1 MET 32 3HE MET 32 1.839 5.599 1.987
209 HE2 MET 32 1HE MET 32 0.116 5.231 1.913
210 HE3 MET 32 2HE MET 32 1.246 4.035 2.547
211 H ARG 33 H ARG 33 5.986 2.877 -2.604
212 HA ARG 33 HA ARG 33 8.214 4.114 -1.495
213 HB2 ARG 33 1HB ARG 33 7.800 3.104 -4.314
214 HB3 ARG 33 2HB ARG 33 9.362 3.532 -3.629
215 HG2 ARG 33 1HG ARG 33 7.598 1.466 -2.360
216 HG3 ARG 33 2HG ARG 33 8.716 1.068 -3.666
217 HD2 ARG 33 1HD ARG 33 9.659 2.550 -1.240
218 HD3 ARG 33 2HD ARG 33 9.493 0.795 -1.213
219 HE ARG 33 HE ARG 33 11.557 2.296 -2.475
220 HH11 ARG 33 1HH1 ARG 33 9.664 -0.613 -2.739
221 HH12 ARG 33 2HH1 ARG 33 10.871 -1.473 -3.637
222 HH21 ARG 33 1HH2 ARG 33 13.154 1.175 -3.656
223 HH22 ARG 33 2HH2 ARG 33 12.856 -0.455 -4.157
224 H THR 34 H THR 34 5.977 5.249 -3.928
225 HA THR 34 HA THR 34 7.599 7.480 -4.736
226 HB THR 34 HB THR 34 5.913 6.424 -6.242
227 HG1 THR 34 HG1 THR 34 6.620 8.842 -6.146
228 HG21 THR 34 3HG2 THR 34 3.927 5.987 -5.279
229 HG22 THR 34 1HG2 THR 34 3.552 7.667 -5.658
230 HG23 THR 34 2HG2 THR 34 4.139 7.235 -4.052
231 H HIS 35 H HIS 35 5.434 6.830 -2.169
232 HA HIS 35 HA HIS 35 4.886 9.652 -1.670
233 HB2 HIS 35 1HB HIS 35 3.926 7.110 -0.357
234 HB3 HIS 35 2HB HIS 35 3.560 8.710 0.283
235 HD1 HIS 35 HD1 HIS 35 2.862 10.191 -2.302
236 HD2 HIS 35 HD2 HIS 35 1.532 6.360 -1.399
237 HE1 HIS 35 HE1 HIS 35 0.781 9.861 -3.675
238 H SER 36 H SER 36 5.980 6.934 0.368
239 HA SER 36 HA SER 36 6.930 8.149 2.542
240 HB2 SER 36 1HB SER 36 8.836 6.477 2.557
241 HB3 SER 36 2HB SER 36 7.229 5.787 2.329
242 HG SER 36 HG SER 36 7.869 6.128 -0.048
243 H GLY 37 H GLY 37 8.625 8.100 -0.571
244 HA2 GLY 37 1HA GLY 37 10.506 10.103 0.508
245 HA3 GLY 37 2HA GLY 37 10.864 9.017 -0.826
246 H GLU 38 H GLU 38 10.509 12.107 -0.276
247 HA GLU 38 HA GLU 38 9.648 12.679 -2.968
248 HB2 GLU 38 1HB GLU 38 7.931 14.353 -2.203
249 HB3 GLU 38 2HB GLU 38 7.478 12.668 -1.986
250 HG2 GLU 38 1HG GLU 38 7.941 12.774 0.356
251 HG3 GLU 38 2HG GLU 38 8.626 14.390 0.195
252 H LYS 39 H LYS 39 11.119 14.060 -3.673
253 HA LYS 39 HA LYS 39 12.808 15.554 -1.951
254 HB2 LYS 39 1HB LYS 39 13.885 16.322 -3.904
255 HB3 LYS 39 2HB LYS 39 13.344 14.693 -4.290
256 HG2 LYS 39 1HG LYS 39 11.612 17.019 -4.986
257 HG3 LYS 39 2HG LYS 39 13.008 16.632 -5.994
258 HD2 LYS 39 1HD LYS 39 11.485 15.324 -7.050
259 HD3 LYS 39 2HD LYS 39 11.945 14.186 -5.781
260 HE2 LYS 39 1HE LYS 39 10.017 15.479 -4.479
261 HE3 LYS 39 2HE LYS 39 9.449 15.755 -6.125
262 HZ1 LYS 39 3HZ LYS 39 10.231 13.034 -5.402
263 HZ2 LYS 39 1HZ LYS 39 9.007 13.567 -6.441
264 HZ3 LYS 39 2HZ LYS 39 8.777 13.620 -4.767
265 HA PRO 40 HA PRO 40 10.569 19.284 -1.350
266 HB2 PRO 40 1HB PRO 40 12.596 21.085 -1.232
267 HB3 PRO 40 2HB PRO 40 12.264 19.928 0.061
268 HG2 PRO 40 1HG PRO 40 14.309 19.794 -2.121
269 HG3 PRO 40 2HG PRO 40 14.479 19.393 -0.402
270 HD2 PRO 40 1HD PRO 40 14.134 17.504 -2.312
271 HD3 PRO 40 2HD PRO 40 13.507 17.319 -0.661
272 H SER 41 H SER 41 9.579 19.207 -3.492
273 HA SER 41 HA SER 41 10.771 21.153 -5.357
274 HB2 SER 41 1HB SER 41 9.531 19.987 -7.157
275 HB3 SER 41 2HB SER 41 10.676 18.921 -6.344
276 HG SER 41 HG SER 41 8.265 18.322 -6.743
277 H GLY 42 H GLY 42 9.374 22.233 -3.337
278 HA2 GLY 42 1HA GLY 42 6.676 22.743 -4.413
279 HA3 GLY 42 2HA GLY 42 7.155 22.987 -2.740
280 HA PRO 43 HA PRO 43 8.946 26.613 -5.451
281 HB2 PRO 43 1HB PRO 43 7.587 27.047 -7.760
282 HB3 PRO 43 2HB PRO 43 9.013 26.007 -7.666
283 HG2 PRO 43 1HG PRO 43 6.115 25.253 -7.682
284 HG3 PRO 43 2HG PRO 43 7.471 24.504 -8.545
285 HD2 PRO 43 1HD PRO 43 6.446 23.468 -6.263
286 HD3 PRO 43 2HD PRO 43 8.163 23.323 -6.690
287 H SER 44 H SER 44 8.251 28.715 -5.205
288 HA SER 44 HA SER 44 5.938 29.198 -3.722
289 HB2 SER 44 1HB SER 44 7.911 30.925 -5.154
290 HB3 SER 44 2HB SER 44 6.413 31.661 -4.585
291 HG SER 44 HG SER 44 7.277 31.688 -2.683
292 H SER 45 H SER 45 6.570 30.280 -7.065
293 HA SER 45 HA SER 45 3.661 30.208 -7.529
294 HB2 SER 45 1HB SER 45 4.401 32.461 -7.758
295 HB3 SER 45 2HB SER 45 5.809 31.977 -8.703
296 HG SER 45 HG SER 45 3.303 31.284 -9.700
297 H GLY 46 H GLY 46 2.857 29.130 -9.278
298 HA2 GLY 46 1HA GLY 46 4.804 27.495 -10.769
299 HA3 GLY 46 2HA GLY 46 3.129 27.051 -10.475
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -22.522 10.892 -6.982
2 HA2 GLY 1 1HA GLY 1 -23.171 9.183 -9.276
3 HA3 GLY 1 2HA GLY 1 -21.969 8.839 -8.040
4 H SER 2 H SER 2 -22.490 7.388 -6.546
5 HA SER 2 HA SER 2 -23.708 6.045 -5.163
6 HB2 SER 2 1HB SER 2 -26.259 7.480 -5.776
7 HB3 SER 2 2HB SER 2 -25.679 6.831 -4.242
8 HG SER 2 HG SER 2 -24.510 8.604 -3.910
9 H SER 3 H SER 3 -23.210 5.060 -7.589
10 HA SER 3 HA SER 3 -25.481 4.301 -9.101
11 HB2 SER 3 1HB SER 3 -23.345 4.236 -10.176
12 HB3 SER 3 2HB SER 3 -22.683 3.170 -8.937
13 HG SER 3 HG SER 3 -24.120 2.559 -11.169
14 H GLY 4 H GLY 4 -23.404 2.303 -6.987
15 HA2 GLY 4 1HA GLY 4 -24.921 1.120 -5.243
16 HA3 GLY 4 2HA GLY 4 -25.647 0.429 -6.686
17 H SER 5 H SER 5 -24.057 -0.696 -4.358
18 HA SER 5 HA SER 5 -22.383 -2.433 -5.994
19 HB2 SER 5 1HB SER 5 -21.371 -0.620 -3.843
20 HB3 SER 5 2HB SER 5 -20.634 -2.213 -4.020
21 HG SER 5 HG SER 5 -19.826 -1.650 -5.920
22 H SER 6 H SER 6 -21.679 -4.376 -4.806
23 HA SER 6 HA SER 6 -23.532 -5.039 -2.612
24 HB2 SER 6 1HB SER 6 -24.201 -6.179 -4.678
25 HB3 SER 6 2HB SER 6 -22.581 -6.857 -4.840
26 HG SER 6 HG SER 6 -23.063 -7.741 -2.625
27 H GLY 7 H GLY 7 -22.784 -6.632 -1.089
28 HA2 GLY 7 1HA GLY 7 -21.223 -7.492 0.356
29 HA3 GLY 7 2HA GLY 7 -20.219 -7.750 -1.063
30 H ALA 8 H ALA 8 -21.240 -5.192 1.186
31 HA ALA 8 HA ALA 8 -19.142 -3.411 0.555
32 HB1 ALA 8 3HB ALA 8 -21.183 -2.674 1.662
33 HB2 ALA 8 1HB ALA 8 -20.764 -3.622 3.089
34 HB3 ALA 8 2HB ALA 8 -19.763 -2.249 2.617
35 H GLY 9 H GLY 9 -17.119 -4.294 0.615
36 HA2 GLY 9 1HA GLY 9 -15.863 -4.547 3.158
37 HA3 GLY 9 2HA GLY 9 -16.099 -6.125 2.421
38 H GLU 10 H GLU 10 -14.828 -2.891 1.641
39 HA GLU 10 HA GLU 10 -13.268 -3.682 -0.547
40 HB2 GLU 10 1HB GLU 10 -12.042 -1.572 -0.201
41 HB3 GLU 10 2HB GLU 10 -13.783 -1.346 -0.125
42 HG2 GLU 10 1HG GLU 10 -12.218 -1.769 2.381
43 HG3 GLU 10 2HG GLU 10 -12.257 -0.184 1.611
44 H LYS 11 H LYS 11 -11.061 -4.131 -0.754
45 HA LYS 11 HA LYS 11 -9.962 -5.816 1.214
46 HB2 LYS 11 1HB LYS 11 -8.575 -4.460 -1.106
47 HB3 LYS 11 2HB LYS 11 -7.943 -5.822 -0.190
48 HG2 LYS 11 1HG LYS 11 -10.524 -5.913 -1.731
49 HG3 LYS 11 2HG LYS 11 -8.964 -6.397 -2.399
50 HD2 LYS 11 1HD LYS 11 -8.732 -8.116 -0.716
51 HD3 LYS 11 2HD LYS 11 -10.214 -7.580 0.080
52 HE2 LYS 11 1HE LYS 11 -11.565 -8.357 -1.664
53 HE3 LYS 11 2HE LYS 11 -10.211 -8.459 -2.788
54 HZ1 LYS 11 3HZ LYS 11 -9.741 -10.513 -2.118
55 HZ2 LYS 11 1HZ LYS 11 -11.247 -10.521 -1.348
56 HZ3 LYS 11 2HZ LYS 11 -9.855 -10.113 -0.478
57 HA PRO 12 HA PRO 12 -7.857 -3.102 3.950
58 HB2 PRO 12 1HB PRO 12 -5.716 -4.623 4.638
59 HB3 PRO 12 2HB PRO 12 -7.355 -4.958 5.208
60 HG2 PRO 12 1HG PRO 12 -5.833 -6.229 2.965
61 HG3 PRO 12 2HG PRO 12 -6.854 -6.992 4.198
62 HD2 PRO 12 1HD PRO 12 -7.725 -6.512 1.679
63 HD3 PRO 12 2HD PRO 12 -8.805 -6.468 3.088
64 H TYR 13 H TYR 13 -6.314 -4.266 1.088
65 HA TYR 13 HA TYR 13 -3.943 -2.645 1.385
66 HB2 TYR 13 1HB TYR 13 -4.812 -3.875 -1.209
67 HB3 TYR 13 2HB TYR 13 -3.183 -3.622 -0.591
68 HD1 TYR 13 HD2 TYR 13 -2.295 -5.122 1.185
69 HD2 TYR 13 HD1 TYR 13 -6.020 -5.870 -0.729
70 HE1 TYR 13 HE2 TYR 13 -2.238 -7.443 1.995
71 HE2 TYR 13 HE1 TYR 13 -5.975 -8.193 0.077
72 HH TYR 13 HH TYR 13 -4.753 -9.378 2.207
73 H GLY 14 H GLY 14 -5.016 -0.589 1.683
74 HA2 GLY 14 1HA GLY 14 -5.690 0.639 -0.907
75 HA3 GLY 14 2HA GLY 14 -6.744 0.891 0.476
76 H CYS 15 H CYS 15 -4.160 2.109 -1.246
77 HA CYS 15 HA CYS 15 -2.514 3.263 0.677
78 HB2 CYS 15 1HB CYS 15 -1.998 3.248 -1.729
79 HB3 CYS 15 2HB CYS 15 -3.300 4.398 -2.015
80 H SER 16 H SER 16 -3.191 4.420 2.360
81 HA SER 16 HA SER 16 -5.533 6.111 2.177
82 HB2 SER 16 1HB SER 16 -4.746 4.648 4.201
83 HB3 SER 16 2HB SER 16 -3.721 6.035 4.568
84 HG SER 16 HG SER 16 -6.400 5.722 4.908
85 H GLU 17 H GLU 17 -3.524 6.967 0.455
86 HA GLU 17 HA GLU 17 -2.842 9.559 1.663
87 HB2 GLU 17 1HB GLU 17 -0.909 7.783 1.301
88 HB3 GLU 17 2HB GLU 17 -0.990 8.373 -0.354
89 HG2 GLU 17 1HG GLU 17 -0.638 10.666 0.479
90 HG3 GLU 17 2HG GLU 17 -0.466 10.019 2.110
91 H CYS 18 H CYS 18 -3.319 7.707 -1.316
92 HA CYS 18 HA CYS 18 -4.188 10.199 -2.630
93 HB2 CYS 18 1HB CYS 18 -3.443 9.255 -4.758
94 HB3 CYS 18 2HB CYS 18 -2.109 9.319 -3.611
95 H GLY 19 H GLY 19 -4.633 6.671 -2.545
96 HA2 GLY 19 1HA GLY 19 -7.023 6.007 -2.170
97 HA3 GLY 19 2HA GLY 19 -7.400 7.106 -3.488
98 H LYS 20 H LYS 20 -4.753 4.764 -3.215
99 HA LYS 20 HA LYS 20 -5.885 3.354 -5.543
100 HB2 LYS 20 1HB LYS 20 -3.079 4.213 -4.949
101 HB3 LYS 20 2HB LYS 20 -3.353 2.773 -5.921
102 HG2 LYS 20 1HG LYS 20 -4.577 4.048 -7.554
103 HG3 LYS 20 2HG LYS 20 -4.474 5.496 -6.549
104 HD2 LYS 20 1HD LYS 20 -2.002 5.396 -6.749
105 HD3 LYS 20 2HD LYS 20 -2.180 4.032 -7.856
106 HE2 LYS 20 1HE LYS 20 -3.382 6.763 -8.297
107 HE3 LYS 20 2HE LYS 20 -1.856 6.221 -8.993
108 HZ1 LYS 20 3HZ LYS 20 -3.111 4.386 -10.052
109 HZ2 LYS 20 1HZ LYS 20 -3.573 5.919 -10.598
110 HZ3 LYS 20 2HZ LYS 20 -4.550 5.083 -9.499
111 H ALA 21 H ALA 21 -6.426 1.323 -5.131
112 HA ALA 21 HA ALA 21 -5.323 0.000 -2.766
113 HB1 ALA 21 3HB ALA 21 -7.766 -0.424 -4.437
114 HB2 ALA 21 1HB ALA 21 -7.157 -1.720 -3.408
115 HB3 ALA 21 2HB ALA 21 -7.628 -0.176 -2.696
116 H PHE 22 H PHE 22 -5.036 -2.448 -3.022
117 HA PHE 22 HA PHE 22 -3.977 -3.209 -5.633
118 HB2 PHE 22 1HB PHE 22 -2.340 -3.353 -3.092
119 HB3 PHE 22 2HB PHE 22 -1.858 -3.997 -4.658
120 HD1 PHE 22 HD1 PHE 22 -2.761 -0.845 -2.921
121 HD2 PHE 22 HD2 PHE 22 -0.722 -2.662 -6.185
122 HE1 PHE 22 HE1 PHE 22 -1.757 1.326 -3.497
123 HE2 PHE 22 HE2 PHE 22 0.287 -0.494 -6.765
124 HZ PHE 22 HZ PHE 22 -0.229 1.503 -5.420
125 H SER 23 H SER 23 -3.071 -5.591 -5.387
126 HA SER 23 HA SER 23 -5.304 -7.140 -4.411
127 HB2 SER 23 1HB SER 23 -4.285 -9.007 -5.546
128 HB3 SER 23 2HB SER 23 -4.161 -7.599 -6.601
129 HG SER 23 HG SER 23 -2.092 -8.454 -4.859
130 H SER 24 H SER 24 -1.854 -6.822 -3.688
131 HA SER 24 HA SER 24 -2.354 -8.165 -1.118
132 HB2 SER 24 1HB SER 24 -0.456 -9.499 -1.284
133 HB3 SER 24 2HB SER 24 -1.039 -9.503 -2.948
134 HG SER 24 HG SER 24 0.511 -8.004 -3.481
135 H LYS 25 H LYS 25 -0.322 -7.780 0.357
136 HA LYS 25 HA LYS 25 -0.228 -5.042 0.940
137 HB2 LYS 25 1HB LYS 25 1.183 -7.470 1.898
138 HB3 LYS 25 2HB LYS 25 1.949 -5.925 2.245
139 HG2 LYS 25 1HG LYS 25 -0.937 -6.165 2.853
140 HG3 LYS 25 2HG LYS 25 0.186 -7.059 3.879
141 HD2 LYS 25 1HD LYS 25 0.168 -5.083 5.012
142 HD3 LYS 25 2HD LYS 25 1.457 -4.725 3.860
143 HE2 LYS 25 1HE LYS 25 -0.071 -2.865 3.943
144 HE3 LYS 25 2HE LYS 25 -0.217 -3.665 2.379
145 HZ1 LYS 25 3HZ LYS 25 -2.360 -3.043 3.494
146 HZ2 LYS 25 1HZ LYS 25 -2.035 -4.237 4.648
147 HZ3 LYS 25 2HZ LYS 25 -2.237 -4.663 3.023
148 H SER 26 H SER 26 2.527 -7.062 -0.094
149 HA SER 26 HA SER 26 4.426 -5.235 -0.575
150 HB2 SER 26 1HB SER 26 5.158 -6.643 -2.544
151 HB3 SER 26 2HB SER 26 4.877 -7.539 -1.051
152 HG SER 26 HG SER 26 3.781 -7.966 -3.399
153 H TYR 27 H TYR 27 2.173 -6.189 -3.174
154 HA TYR 27 HA TYR 27 2.797 -4.367 -5.080
155 HB2 TYR 27 1HB TYR 27 0.151 -5.522 -4.260
156 HB3 TYR 27 2HB TYR 27 0.239 -4.359 -5.577
157 HD1 TYR 27 HD2 TYR 27 2.718 -5.117 -6.932
158 HD2 TYR 27 HD1 TYR 27 -0.317 -7.574 -5.243
159 HE1 TYR 27 HE2 TYR 27 3.321 -6.922 -8.490
160 HE2 TYR 27 HE1 TYR 27 0.279 -9.387 -6.795
161 HH TYR 27 HH TYR 27 2.519 -8.898 -9.417
162 H LEU 28 H LEU 28 0.795 -3.790 -2.228
163 HA LEU 28 HA LEU 28 0.132 -1.103 -2.941
164 HB2 LEU 28 1HB LEU 28 -1.399 -2.106 -1.511
165 HB3 LEU 28 2HB LEU 28 -0.140 -2.767 -0.471
166 HG LEU 28 HG LEU 28 0.314 -0.477 0.362
167 HD11 LEU 28 1HD1 LEU 28 -2.259 0.478 -0.757
168 HD12 LEU 28 2HD1 LEU 28 -0.860 0.456 -1.829
169 HD13 LEU 28 3HD1 LEU 28 -0.804 1.376 -0.326
170 HD21 LEU 28 3HD2 LEU 28 -2.239 -0.322 1.292
171 HD22 LEU 28 1HD2 LEU 28 -0.994 -1.391 1.938
172 HD23 LEU 28 2HD2 LEU 28 -2.157 -2.003 0.762
173 H ILE 29 H ILE 29 2.512 -2.598 -0.787
174 HA ILE 29 HA ILE 29 3.543 -0.247 0.336
175 HB ILE 29 HB ILE 29 4.909 -2.888 -0.184
176 HG12 ILE 29 1HG1 ILE 29 4.067 -1.910 2.510
177 HG13 ILE 29 2HG1 ILE 29 2.831 -2.534 1.424
178 HG21 ILE 29 1HG2 ILE 29 6.590 -2.186 1.426
179 HG22 ILE 29 2HG2 ILE 29 6.542 -1.078 0.055
180 HG23 ILE 29 3HG2 ILE 29 5.801 -0.617 1.587
181 HD11 ILE 29 3HD1 ILE 29 4.713 -4.477 1.254
182 HD12 ILE 29 1HD1 ILE 29 4.910 -3.941 2.922
183 HD13 ILE 29 2HD1 ILE 29 3.336 -4.499 2.355
184 H ILE 30 H ILE 30 4.739 -2.143 -2.435
185 HA ILE 30 HA ILE 30 6.914 -0.650 -3.161
186 HB ILE 30 HB ILE 30 4.913 -1.875 -5.064
187 HG12 ILE 30 1HG1 ILE 30 7.466 -3.074 -3.979
188 HG13 ILE 30 2HG1 ILE 30 5.876 -3.399 -3.296
189 HG21 ILE 30 1HG2 ILE 30 7.830 -1.509 -5.618
190 HG22 ILE 30 2HG2 ILE 30 6.497 -1.738 -6.749
191 HG23 ILE 30 3HG2 ILE 30 6.690 -0.197 -5.915
192 HD11 ILE 30 3HD1 ILE 30 5.440 -3.966 -5.903
193 HD12 ILE 30 1HD1 ILE 30 7.133 -4.428 -5.732
194 HD13 ILE 30 2HD1 ILE 30 5.911 -5.150 -4.684
195 H HIS 31 H HIS 31 3.528 0.108 -3.647
196 HA HIS 31 HA HIS 31 3.951 2.278 -5.445
197 HB2 HIS 31 1HB HIS 31 1.794 1.343 -5.515
198 HB3 HIS 31 2HB HIS 31 1.624 1.381 -3.762
199 HD1 HIS 31 HD1 HIS 31 1.504 3.637 -6.774
200 HD2 HIS 31 HD2 HIS 31 0.571 3.713 -2.727
201 HE1 HIS 31 HE1 HIS 31 0.217 5.768 -6.421
202 H MET 32 H MET 32 3.368 2.067 -1.949
203 HA MET 32 HA MET 32 3.205 4.729 -1.298
204 HB2 MET 32 1HB MET 32 4.559 2.499 0.226
205 HB3 MET 32 2HB MET 32 4.203 4.081 0.907
206 HG2 MET 32 1HG MET 32 2.242 2.014 -0.043
207 HG3 MET 32 2HG MET 32 2.505 2.575 1.606
208 HE1 MET 32 3HE MET 32 0.177 4.497 2.433
209 HE2 MET 32 1HE MET 32 1.933 4.428 2.591
210 HE3 MET 32 2HE MET 32 1.162 5.880 1.953
211 H ARG 33 H ARG 33 5.987 2.931 -2.333
212 HA ARG 33 HA ARG 33 8.072 4.483 -1.372
213 HB2 ARG 33 1HB ARG 33 7.872 3.118 -4.063
214 HB3 ARG 33 2HB ARG 33 9.361 3.669 -3.308
215 HG2 ARG 33 1HG ARG 33 9.077 2.085 -1.505
216 HG3 ARG 33 2HG ARG 33 7.522 1.577 -2.167
217 HD2 ARG 33 1HD ARG 33 9.112 -0.052 -2.833
218 HD3 ARG 33 2HD ARG 33 8.750 0.918 -4.260
219 HE ARG 33 HE ARG 33 10.939 2.121 -3.186
220 HH11 ARG 33 1HH1 ARG 33 10.185 -1.132 -4.171
221 HH12 ARG 33 2HH1 ARG 33 11.818 -1.519 -4.601
222 HH21 ARG 33 1HH2 ARG 33 13.093 1.623 -3.749
223 HH22 ARG 33 2HH2 ARG 33 13.471 0.048 -4.360
224 H THR 34 H THR 34 5.848 5.099 -3.996
225 HA THR 34 HA THR 34 7.292 7.208 -5.221
226 HB THR 34 HB THR 34 5.177 7.798 -6.315
227 HG1 THR 34 HG1 THR 34 3.394 6.194 -5.702
228 HG21 THR 34 3HG2 THR 34 5.799 6.140 -7.677
229 HG22 THR 34 1HG2 THR 34 4.676 5.103 -6.797
230 HG23 THR 34 2HG2 THR 34 6.376 5.161 -6.328
231 H HIS 35 H HIS 35 4.567 7.224 -2.926
232 HA HIS 35 HA HIS 35 4.397 10.007 -2.636
233 HB2 HIS 35 1HB HIS 35 3.619 7.743 -0.799
234 HB3 HIS 35 2HB HIS 35 3.290 9.430 -0.417
235 HD1 HIS 35 HD1 HIS 35 2.201 10.532 -2.969
236 HD2 HIS 35 HD2 HIS 35 1.260 6.718 -1.617
237 HE1 HIS 35 HE1 HIS 35 0.030 9.939 -4.090
238 H SER 36 H SER 36 6.166 7.590 -0.728
239 HA SER 36 HA SER 36 7.169 9.165 1.284
240 HB2 SER 36 1HB SER 36 7.592 6.814 1.338
241 HB3 SER 36 2HB SER 36 8.459 6.869 -0.197
242 HG SER 36 HG SER 36 9.277 7.785 2.340
243 H GLY 37 H GLY 37 7.780 11.224 0.794
244 HA2 GLY 37 1HA GLY 37 10.365 11.523 -0.489
245 HA3 GLY 37 2HA GLY 37 9.031 12.312 -1.317
246 H GLU 38 H GLU 38 11.505 13.190 0.318
247 HA GLU 38 HA GLU 38 10.057 15.224 1.874
248 HB2 GLU 38 1HB GLU 38 12.570 13.757 2.688
249 HB3 GLU 38 2HB GLU 38 11.949 15.181 3.511
250 HG2 GLU 38 1HG GLU 38 10.245 12.749 3.155
251 HG3 GLU 38 2HG GLU 38 11.415 12.859 4.469
252 H LYS 39 H LYS 39 10.694 17.280 1.561
253 HA LYS 39 HA LYS 39 12.481 17.861 -0.587
254 HB2 LYS 39 1HB LYS 39 11.982 20.211 -0.087
255 HB3 LYS 39 2HB LYS 39 10.514 19.247 -0.167
256 HG2 LYS 39 1HG LYS 39 10.146 19.379 2.111
257 HG3 LYS 39 2HG LYS 39 11.834 19.754 2.465
258 HD2 LYS 39 1HD LYS 39 10.247 21.665 0.815
259 HD3 LYS 39 2HD LYS 39 9.981 21.620 2.559
260 HE2 LYS 39 1HE LYS 39 12.748 21.819 1.425
261 HE3 LYS 39 2HE LYS 39 11.739 23.254 1.604
262 HZ1 LYS 39 3HZ LYS 39 13.268 21.970 3.556
263 HZ2 LYS 39 1HZ LYS 39 11.644 21.791 3.992
264 HZ3 LYS 39 2HZ LYS 39 12.284 23.334 3.733
265 HA PRO 40 HA PRO 40 16.282 18.217 1.602
266 HB2 PRO 40 1HB PRO 40 17.593 19.908 -0.070
267 HB3 PRO 40 2HB PRO 40 17.298 18.209 -0.459
268 HG2 PRO 40 1HG PRO 40 15.802 20.643 -1.352
269 HG3 PRO 40 2HG PRO 40 16.296 19.224 -2.295
270 HD2 PRO 40 1HD PRO 40 13.776 19.545 -1.356
271 HD3 PRO 40 2HD PRO 40 14.532 17.949 -1.535
272 H SER 41 H SER 41 17.933 20.153 2.069
273 HA SER 41 HA SER 41 16.323 22.229 3.383
274 HB2 SER 41 1HB SER 41 18.925 20.908 4.025
275 HB3 SER 41 2HB SER 41 18.664 22.561 4.581
276 HG SER 41 HG SER 41 16.746 20.540 5.030
277 H GLY 42 H GLY 42 17.101 24.421 3.410
278 HA2 GLY 42 1HA GLY 42 18.817 25.993 2.560
279 HA3 GLY 42 2HA GLY 42 18.792 25.059 1.071
280 HA PRO 43 HA PRO 43 16.020 28.699 0.457
281 HB2 PRO 43 1HB PRO 43 16.885 29.213 -2.064
282 HB3 PRO 43 2HB PRO 43 17.693 29.844 -0.624
283 HG2 PRO 43 1HG PRO 43 18.405 27.475 -2.310
284 HG3 PRO 43 2HG PRO 43 19.466 28.719 -1.622
285 HD2 PRO 43 1HD PRO 43 19.177 26.269 -0.505
286 HD3 PRO 43 2HD PRO 43 19.488 27.728 0.459
287 H SER 44 H SER 44 14.343 27.031 0.495
288 HA SER 44 HA SER 44 13.793 25.529 -1.892
289 HB2 SER 44 1HB SER 44 12.244 25.969 0.664
290 HB3 SER 44 2HB SER 44 11.635 24.985 -0.666
291 HG SER 44 HG SER 44 13.752 23.848 -0.434
292 H SER 45 H SER 45 12.494 26.042 -3.550
293 HA SER 45 HA SER 45 10.802 28.437 -3.311
294 HB2 SER 45 1HB SER 45 12.508 27.736 -5.712
295 HB3 SER 45 2HB SER 45 11.449 29.137 -5.559
296 HG SER 45 HG SER 45 13.584 28.635 -3.771
297 H GLY 46 H GLY 46 9.085 28.547 -4.962
298 HA2 GLY 46 1HA GLY 46 7.990 27.193 -6.780
299 HA3 GLY 46 2HA GLY 46 8.180 25.830 -5.688
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -27.883 17.598 6.414
2 HA2 GLY 1 1HA GLY 1 -26.335 16.164 8.217
3 HA3 GLY 1 2HA GLY 1 -27.438 15.007 7.486
4 H SER 2 H SER 2 -25.169 14.191 6.897
5 HA SER 2 HA SER 2 -24.441 15.331 4.279
6 HB2 SER 2 1HB SER 2 -22.700 15.738 6.018
7 HB3 SER 2 2HB SER 2 -22.548 13.994 6.227
8 HG SER 2 HG SER 2 -21.043 15.121 4.714
9 H SER 3 H SER 3 -23.529 13.791 2.748
10 HA SER 3 HA SER 3 -24.632 11.088 3.151
11 HB2 SER 3 1HB SER 3 -24.514 12.882 0.761
12 HB3 SER 3 2HB SER 3 -24.469 11.137 0.512
13 HG SER 3 HG SER 3 -26.455 12.519 1.997
14 H GLY 4 H GLY 4 -23.411 9.300 2.592
15 HA2 GLY 4 1HA GLY 4 -21.323 8.701 1.201
16 HA3 GLY 4 2HA GLY 4 -20.535 9.844 2.278
17 H SER 5 H SER 5 -22.064 6.709 2.034
18 HA SER 5 HA SER 5 -21.956 5.918 4.707
19 HB2 SER 5 1HB SER 5 -23.177 4.534 3.223
20 HB3 SER 5 2HB SER 5 -21.805 4.358 2.130
21 HG SER 5 HG SER 5 -22.330 3.084 4.560
22 H SER 6 H SER 6 -19.603 5.191 2.125
23 HA SER 6 HA SER 6 -17.365 4.784 2.177
24 HB2 SER 6 1HB SER 6 -17.561 6.226 4.831
25 HB3 SER 6 2HB SER 6 -16.045 5.796 4.039
26 HG SER 6 HG SER 6 -17.919 7.206 2.536
27 H GLY 7 H GLY 7 -19.048 2.706 2.934
28 HA2 GLY 7 1HA GLY 7 -17.651 1.436 5.195
29 HA3 GLY 7 2HA GLY 7 -19.228 0.961 4.581
30 H ALA 8 H ALA 8 -18.731 0.773 1.876
31 HA ALA 8 HA ALA 8 -17.949 -1.758 1.430
32 HB1 ALA 8 3HB ALA 8 -16.985 0.213 -0.576
33 HB2 ALA 8 1HB ALA 8 -17.895 -1.281 -0.801
34 HB3 ALA 8 2HB ALA 8 -18.709 0.167 -0.209
35 H GLY 9 H GLY 9 -16.013 -2.775 0.588
36 HA2 GLY 9 1HA GLY 9 -13.470 -1.535 0.668
37 HA3 GLY 9 2HA GLY 9 -13.759 -2.384 2.180
38 H GLU 10 H GLU 10 -12.997 -2.682 -1.165
39 HA GLU 10 HA GLU 10 -13.461 -5.441 -1.506
40 HB2 GLU 10 1HB GLU 10 -11.531 -3.561 -2.869
41 HB3 GLU 10 2HB GLU 10 -11.782 -5.227 -3.372
42 HG2 GLU 10 1HG GLU 10 -13.201 -4.165 -4.795
43 HG3 GLU 10 2HG GLU 10 -14.299 -4.483 -3.453
44 H LYS 11 H LYS 11 -10.488 -3.666 -0.683
45 HA LYS 11 HA LYS 11 -9.485 -6.110 0.604
46 HB2 LYS 11 1HB LYS 11 -8.009 -4.318 -1.319
47 HB3 LYS 11 2HB LYS 11 -7.175 -5.399 -0.211
48 HG2 LYS 11 1HG LYS 11 -9.290 -6.509 -1.988
49 HG3 LYS 11 2HG LYS 11 -7.704 -6.132 -2.664
50 HD2 LYS 11 1HD LYS 11 -6.755 -7.491 -0.714
51 HD3 LYS 11 2HD LYS 11 -8.402 -8.083 -0.488
52 HE2 LYS 11 1HE LYS 11 -7.018 -8.222 -3.149
53 HE3 LYS 11 2HE LYS 11 -6.816 -9.482 -1.932
54 HZ1 LYS 11 3HZ LYS 11 -9.130 -8.841 -3.574
55 HZ2 LYS 11 1HZ LYS 11 -9.456 -9.291 -1.976
56 HZ3 LYS 11 2HZ LYS 11 -8.596 -10.336 -2.990
57 HA PRO 12 HA PRO 12 -8.619 -3.516 4.043
58 HB2 PRO 12 1HB PRO 12 -6.561 -4.879 5.172
59 HB3 PRO 12 2HB PRO 12 -8.234 -5.445 5.230
60 HG2 PRO 12 1HG PRO 12 -6.014 -6.282 3.405
61 HG3 PRO 12 2HG PRO 12 -7.219 -7.284 4.234
62 HD2 PRO 12 1HD PRO 12 -7.438 -6.605 1.622
63 HD3 PRO 12 2HD PRO 12 -8.852 -6.837 2.670
64 H TYR 13 H TYR 13 -6.135 -4.265 1.724
65 HA TYR 13 HA TYR 13 -4.351 -2.210 2.772
66 HB2 TYR 13 1HB TYR 13 -3.942 -3.899 0.304
67 HB3 TYR 13 2HB TYR 13 -2.723 -3.024 1.224
68 HD1 TYR 13 HD2 TYR 13 -2.162 -3.821 3.554
69 HD2 TYR 13 HD1 TYR 13 -4.524 -6.116 0.859
70 HE1 TYR 13 HE2 TYR 13 -1.718 -5.837 4.890
71 HE2 TYR 13 HE1 TYR 13 -4.087 -8.138 2.189
72 HH TYR 13 HH TYR 13 -2.937 -8.101 5.266
73 H GLY 14 H GLY 14 -4.954 -0.192 2.278
74 HA2 GLY 14 1HA GLY 14 -5.377 0.435 -0.562
75 HA3 GLY 14 2HA GLY 14 -6.563 0.981 0.614
76 H CYS 15 H CYS 15 -3.843 1.841 -1.079
77 HA CYS 15 HA CYS 15 -2.174 3.266 0.498
78 HB2 CYS 15 1HB CYS 15 -1.884 3.208 -1.902
79 HB3 CYS 15 2HB CYS 15 -3.360 4.136 -2.144
80 H SER 16 H SER 16 -2.709 4.428 2.233
81 HA SER 16 HA SER 16 -5.078 6.110 2.221
82 HB2 SER 16 1HB SER 16 -4.296 4.640 4.187
83 HB3 SER 16 2HB SER 16 -3.093 5.896 4.477
84 HG SER 16 HG SER 16 -4.711 6.663 5.630
85 H GLU 17 H GLU 17 -3.076 6.912 0.408
86 HA GLU 17 HA GLU 17 -2.263 9.476 1.609
87 HB2 GLU 17 1HB GLU 17 -0.698 7.546 -0.031
88 HB3 GLU 17 2HB GLU 17 -0.422 9.260 -0.306
89 HG2 GLU 17 1HG GLU 17 -0.289 8.017 2.422
90 HG3 GLU 17 2HG GLU 17 1.104 8.118 1.347
91 H CYS 18 H CYS 18 -3.406 7.744 -1.213
92 HA CYS 18 HA CYS 18 -4.301 10.304 -2.347
93 HB2 CYS 18 1HB CYS 18 -3.735 9.571 -4.587
94 HB3 CYS 18 2HB CYS 18 -2.297 9.500 -3.574
95 H GLY 19 H GLY 19 -4.664 6.770 -2.407
96 HA2 GLY 19 1HA GLY 19 -7.055 6.129 -1.817
97 HA3 GLY 19 2HA GLY 19 -7.487 7.157 -3.176
98 H LYS 20 H LYS 20 -4.660 5.093 -3.162
99 HA LYS 20 HA LYS 20 -5.895 3.512 -5.313
100 HB2 LYS 20 1HB LYS 20 -3.644 4.896 -5.521
101 HB3 LYS 20 2HB LYS 20 -2.957 3.454 -4.785
102 HG2 LYS 20 1HG LYS 20 -4.081 2.136 -6.625
103 HG3 LYS 20 2HG LYS 20 -4.406 3.686 -7.406
104 HD2 LYS 20 1HD LYS 20 -1.912 4.137 -7.204
105 HD3 LYS 20 2HD LYS 20 -1.742 2.430 -6.789
106 HE2 LYS 20 1HE LYS 20 -3.031 3.466 -9.311
107 HE3 LYS 20 2HE LYS 20 -1.361 2.915 -9.194
108 HZ1 LYS 20 3HZ LYS 20 -3.466 1.104 -8.275
109 HZ2 LYS 20 1HZ LYS 20 -1.988 0.752 -9.018
110 HZ3 LYS 20 2HZ LYS 20 -3.286 1.316 -9.943
111 H ALA 21 H ALA 21 -6.369 1.449 -4.951
112 HA ALA 21 HA ALA 21 -5.224 0.150 -2.572
113 HB1 ALA 21 3HB ALA 21 -7.252 -1.450 -3.053
114 HB2 ALA 21 1HB ALA 21 -7.483 0.079 -2.204
115 HB3 ALA 21 2HB ALA 21 -7.871 -0.045 -3.921
116 H PHE 22 H PHE 22 -4.938 -2.234 -2.742
117 HA PHE 22 HA PHE 22 -4.315 -3.159 -5.450
118 HB2 PHE 22 1HB PHE 22 -2.381 -3.338 -3.131
119 HB3 PHE 22 2HB PHE 22 -2.128 -4.006 -4.740
120 HD1 PHE 22 HD1 PHE 22 -2.833 -0.771 -3.035
121 HD2 PHE 22 HD2 PHE 22 -0.971 -2.767 -6.300
122 HE1 PHE 22 HE1 PHE 22 -1.817 1.353 -3.749
123 HE2 PHE 22 HE2 PHE 22 0.049 -0.647 -7.019
124 HZ PHE 22 HZ PHE 22 -0.372 1.416 -5.743
125 H SER 23 H SER 23 -3.426 -5.579 -5.155
126 HA SER 23 HA SER 23 -5.627 -6.993 -3.935
127 HB2 SER 23 1HB SER 23 -4.739 -8.958 -5.023
128 HB3 SER 23 2HB SER 23 -4.670 -7.617 -6.166
129 HG SER 23 HG SER 23 -2.508 -8.537 -4.571
130 H SER 24 H SER 24 -2.136 -6.718 -3.451
131 HA SER 24 HA SER 24 -2.491 -7.922 -0.790
132 HB2 SER 24 1HB SER 24 -1.372 -9.447 -2.542
133 HB3 SER 24 2HB SER 24 0.008 -8.356 -2.417
134 HG SER 24 HG SER 24 -0.561 -10.369 -0.846
135 H LYS 25 H LYS 25 -0.876 -7.279 0.783
136 HA LYS 25 HA LYS 25 -0.493 -4.560 0.981
137 HB2 LYS 25 1HB LYS 25 -0.151 -6.545 2.697
138 HB3 LYS 25 2HB LYS 25 1.534 -6.369 2.223
139 HG2 LYS 25 1HG LYS 25 1.055 -3.828 2.727
140 HG3 LYS 25 2HG LYS 25 -0.217 -4.513 3.742
141 HD2 LYS 25 1HD LYS 25 1.417 -5.852 4.934
142 HD3 LYS 25 2HD LYS 25 2.702 -5.268 3.874
143 HE2 LYS 25 1HE LYS 25 2.764 -3.205 4.859
144 HE3 LYS 25 2HE LYS 25 1.064 -3.257 5.325
145 HZ1 LYS 25 3HZ LYS 25 3.084 -5.006 6.593
146 HZ2 LYS 25 1HZ LYS 25 1.538 -4.607 7.155
147 HZ3 LYS 25 2HZ LYS 25 2.768 -3.446 7.167
148 H SER 26 H SER 26 2.036 -6.944 0.165
149 HA SER 26 HA SER 26 4.169 -5.385 -0.332
150 HB2 SER 26 1HB SER 26 4.270 -7.781 -0.674
151 HB3 SER 26 2HB SER 26 3.189 -7.666 -2.063
152 HG SER 26 HG SER 26 5.891 -7.015 -1.842
153 H TYR 27 H TYR 27 1.724 -6.097 -2.831
154 HA TYR 27 HA TYR 27 2.651 -4.501 -4.854
155 HB2 TYR 27 1HB TYR 27 -0.102 -5.331 -4.025
156 HB3 TYR 27 2HB TYR 27 0.086 -4.176 -5.340
157 HD1 TYR 27 HD2 TYR 27 2.349 -5.102 -6.836
158 HD2 TYR 27 HD1 TYR 27 -0.670 -7.390 -4.900
159 HE1 TYR 27 HE2 TYR 27 2.751 -6.950 -8.408
160 HE2 TYR 27 HE1 TYR 27 -0.276 -9.246 -6.465
161 HH TYR 27 HH TYR 27 1.843 -9.999 -7.930
162 H LEU 28 H LEU 28 0.590 -3.534 -2.136
163 HA LEU 28 HA LEU 28 0.237 -0.853 -2.941
164 HB2 LEU 28 1HB LEU 28 -1.268 -1.688 -1.346
165 HB3 LEU 28 2HB LEU 28 0.029 -2.266 -0.303
166 HG LEU 28 HG LEU 28 0.606 0.147 0.134
167 HD11 LEU 28 1HD1 LEU 28 -2.082 0.629 -1.141
168 HD12 LEU 28 2HD1 LEU 28 -0.527 1.075 -1.843
169 HD13 LEU 28 3HD1 LEU 28 -1.065 1.828 -0.341
170 HD21 LEU 28 3HD2 LEU 28 -0.604 -1.180 1.761
171 HD22 LEU 28 1HD2 LEU 28 -2.127 -0.843 0.938
172 HD23 LEU 28 2HD2 LEU 28 -1.243 0.464 1.727
173 H ILE 29 H ILE 29 2.671 -2.448 -0.949
174 HA ILE 29 HA ILE 29 3.960 -0.175 0.048
175 HB ILE 29 HB ILE 29 5.176 -2.853 -0.640
176 HG12 ILE 29 1HG1 ILE 29 3.309 -3.031 0.938
177 HG13 ILE 29 2HG1 ILE 29 4.840 -3.361 1.743
178 HG21 ILE 29 1HG2 ILE 29 7.131 -1.975 -0.069
179 HG22 ILE 29 2HG2 ILE 29 6.368 -0.422 0.268
180 HG23 ILE 29 3HG2 ILE 29 6.485 -1.640 1.538
181 HD11 ILE 29 3HD1 ILE 29 3.249 -0.812 1.881
182 HD12 ILE 29 1HD1 ILE 29 3.445 -2.012 3.158
183 HD13 ILE 29 2HD1 ILE 29 4.830 -1.060 2.622
184 H ILE 30 H ILE 30 4.482 -1.990 -2.950
185 HA ILE 30 HA ILE 30 6.741 -0.604 -3.853
186 HB ILE 30 HB ILE 30 4.561 -1.853 -5.531
187 HG12 ILE 30 1HG1 ILE 30 7.182 -3.085 -4.680
188 HG13 ILE 30 2HG1 ILE 30 5.683 -3.326 -3.790
189 HG21 ILE 30 1HG2 ILE 30 7.408 -1.112 -6.187
190 HG22 ILE 30 2HG2 ILE 30 6.354 -2.071 -7.225
191 HG23 ILE 30 3HG2 ILE 30 5.944 -0.395 -6.859
192 HD11 ILE 30 3HD1 ILE 30 4.822 -4.037 -6.192
193 HD12 ILE 30 1HD1 ILE 30 6.533 -4.404 -6.408
194 HD13 ILE 30 2HD1 ILE 30 5.625 -5.167 -5.102
195 H HIS 31 H HIS 31 3.511 0.421 -3.547
196 HA HIS 31 HA HIS 31 3.814 2.549 -5.531
197 HB2 HIS 31 1HB HIS 31 1.689 1.453 -5.629
198 HB3 HIS 31 2HB HIS 31 1.459 1.611 -3.890
199 HD1 HIS 31 HD1 HIS 31 1.278 3.565 -7.080
200 HD2 HIS 31 HD2 HIS 31 0.483 4.079 -3.034
201 HE1 HIS 31 HE1 HIS 31 -0.010 5.719 -6.916
202 H MET 32 H MET 32 3.252 2.099 -2.061
203 HA MET 32 HA MET 32 3.023 4.764 -1.307
204 HB2 MET 32 1HB MET 32 4.266 2.474 0.225
205 HB3 MET 32 2HB MET 32 3.788 4.013 0.927
206 HG2 MET 32 1HG MET 32 1.468 3.361 -0.176
207 HG3 MET 32 2HG MET 32 2.126 1.738 0.020
208 HE1 MET 32 3HE MET 32 0.487 4.816 2.318
209 HE2 MET 32 1HE MET 32 1.882 4.773 3.397
210 HE3 MET 32 2HE MET 32 2.110 5.074 1.674
211 H ARG 33 H ARG 33 5.807 2.955 -2.285
212 HA ARG 33 HA ARG 33 7.793 4.617 -1.126
213 HB2 ARG 33 1HB ARG 33 9.302 3.543 -2.821
214 HB3 ARG 33 2HB ARG 33 8.416 2.412 -1.808
215 HG2 ARG 33 1HG ARG 33 6.809 2.051 -3.613
216 HG3 ARG 33 2HG ARG 33 7.704 3.183 -4.630
217 HD2 ARG 33 1HD ARG 33 9.197 0.921 -3.416
218 HD3 ARG 33 2HD ARG 33 8.097 0.560 -4.746
219 HE ARG 33 HE ARG 33 10.645 1.712 -4.976
220 HH11 ARG 33 1HH1 ARG 33 7.410 2.102 -6.203
221 HH12 ARG 33 2HH1 ARG 33 7.925 2.776 -7.714
222 HH21 ARG 33 1HH2 ARG 33 11.335 2.599 -6.961
223 HH22 ARG 33 2HH2 ARG 33 10.157 3.058 -8.144
224 H THR 34 H THR 34 5.769 4.923 -3.890
225 HA THR 34 HA THR 34 7.438 6.798 -5.294
226 HB THR 34 HB THR 34 5.707 6.981 -6.889
227 HG1 THR 34 HG1 THR 34 3.811 5.617 -5.332
228 HG21 THR 34 3HG2 THR 34 6.802 4.725 -6.698
229 HG22 THR 34 1HG2 THR 34 5.221 4.718 -7.477
230 HG23 THR 34 2HG2 THR 34 5.381 4.186 -5.803
231 H HIS 35 H HIS 35 4.783 6.953 -3.010
232 HA HIS 35 HA HIS 35 4.186 9.701 -3.328
233 HB2 HIS 35 1HB HIS 35 3.649 7.663 -1.195
234 HB3 HIS 35 2HB HIS 35 3.298 9.361 -0.889
235 HD1 HIS 35 HD1 HIS 35 1.799 10.430 -3.057
236 HD2 HIS 35 HD2 HIS 35 1.481 6.387 -2.152
237 HE1 HIS 35 HE1 HIS 35 -0.371 9.680 -4.082
238 H SER 36 H SER 36 6.177 7.977 -0.932
239 HA SER 36 HA SER 36 7.119 10.429 0.240
240 HB2 SER 36 1HB SER 36 8.589 8.921 1.578
241 HB3 SER 36 2HB SER 36 6.885 8.473 1.657
242 HG SER 36 HG SER 36 7.289 6.682 0.584
243 H GLY 37 H GLY 37 9.481 10.873 0.448
244 HA2 GLY 37 1HA GLY 37 10.688 10.749 -2.202
245 HA3 GLY 37 2HA GLY 37 11.226 11.743 -0.856
246 H GLU 38 H GLU 38 12.838 11.028 0.442
247 HA GLU 38 HA GLU 38 13.820 8.291 -0.035
248 HB2 GLU 38 1HB GLU 38 15.423 10.830 0.293
249 HB3 GLU 38 2HB GLU 38 16.124 9.219 0.347
250 HG2 GLU 38 1HG GLU 38 16.484 10.039 -1.831
251 HG3 GLU 38 2HG GLU 38 15.192 8.847 -1.953
252 H LYS 39 H LYS 39 13.790 7.089 1.733
253 HA LYS 39 HA LYS 39 14.247 8.380 4.337
254 HB2 LYS 39 1HB LYS 39 12.622 6.531 5.197
255 HB3 LYS 39 2HB LYS 39 11.967 8.004 4.493
256 HG2 LYS 39 1HG LYS 39 12.017 6.594 2.282
257 HG3 LYS 39 2HG LYS 39 12.006 5.235 3.407
258 HD2 LYS 39 1HD LYS 39 9.987 7.474 3.286
259 HD3 LYS 39 2HD LYS 39 9.738 5.811 2.749
260 HE2 LYS 39 1HE LYS 39 10.151 5.052 5.071
261 HE3 LYS 39 2HE LYS 39 10.269 6.738 5.570
262 HZ1 LYS 39 3HZ LYS 39 8.010 7.101 5.002
263 HZ2 LYS 39 1HZ LYS 39 8.055 5.687 5.931
264 HZ3 LYS 39 2HZ LYS 39 7.873 5.590 4.252
265 HA PRO 40 HA PRO 40 17.230 5.250 5.095
266 HB2 PRO 40 1HB PRO 40 17.020 4.961 7.786
267 HB3 PRO 40 2HB PRO 40 17.751 6.380 7.026
268 HG2 PRO 40 1HG PRO 40 14.990 6.034 8.129
269 HG3 PRO 40 2HG PRO 40 16.098 7.408 8.297
270 HD2 PRO 40 1HD PRO 40 14.048 7.399 6.528
271 HD3 PRO 40 2HD PRO 40 15.576 8.246 6.215
272 H SER 41 H SER 41 13.996 4.651 5.225
273 HA SER 41 HA SER 41 13.883 2.171 6.595
274 HB2 SER 41 1HB SER 41 11.682 1.957 5.720
275 HB3 SER 41 2HB SER 41 11.924 3.684 5.982
276 HG SER 41 HG SER 41 11.288 2.445 3.727
277 H GLY 42 H GLY 42 15.948 1.359 5.601
278 HA2 GLY 42 1HA GLY 42 15.318 -0.635 3.657
279 HA3 GLY 42 2HA GLY 42 16.296 0.648 2.961
280 HA PRO 43 HA PRO 43 18.764 -2.533 5.615
281 HB2 PRO 43 1HB PRO 43 19.294 -4.470 3.787
282 HB3 PRO 43 2HB PRO 43 17.900 -4.528 4.872
283 HG2 PRO 43 1HG PRO 43 18.035 -3.671 2.007
284 HG3 PRO 43 2HG PRO 43 16.821 -4.677 2.817
285 HD2 PRO 43 1HD PRO 43 16.419 -2.052 2.288
286 HD3 PRO 43 2HD PRO 43 15.725 -2.857 3.710
287 H SER 44 H SER 44 19.159 -2.101 2.093
288 HA SER 44 HA SER 44 21.077 -1.765 0.857
289 HB2 SER 44 1HB SER 44 21.908 0.438 1.141
290 HB3 SER 44 2HB SER 44 20.235 0.499 1.695
291 HG SER 44 HG SER 44 22.054 1.442 3.054
292 H SER 45 H SER 45 21.576 -3.814 2.618
293 HA SER 45 HA SER 45 24.141 -3.234 3.891
294 HB2 SER 45 1HB SER 45 23.885 -5.696 4.627
295 HB3 SER 45 2HB SER 45 22.780 -4.511 5.323
296 HG SER 45 HG SER 45 22.171 -6.081 3.042
297 H GLY 46 H GLY 46 23.037 -4.193 0.914
298 HA2 GLY 46 1HA GLY 46 25.003 -4.464 -0.663
299 HA3 GLY 46 2HA GLY 46 25.456 -5.801 0.383
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -28.835 8.083 -0.288
2 HA2 GLY 1 1HA GLY 1 -31.173 6.394 -0.765
3 HA3 GLY 1 2HA GLY 1 -30.341 7.026 -2.179
4 H SER 2 H SER 2 -29.690 5.029 -2.941
5 HA SER 2 HA SER 2 -27.569 3.743 -1.357
6 HB2 SER 2 1HB SER 2 -29.575 2.267 -3.076
7 HB3 SER 2 2HB SER 2 -28.310 1.550 -2.079
8 HG SER 2 HG SER 2 -30.691 2.827 -1.285
9 H SER 3 H SER 3 -25.724 4.077 -2.393
10 HA SER 3 HA SER 3 -25.436 4.874 -5.042
11 HB2 SER 3 1HB SER 3 -23.459 3.482 -3.223
12 HB3 SER 3 2HB SER 3 -23.034 4.220 -4.767
13 HG SER 3 HG SER 3 -22.723 5.581 -2.879
14 H GLY 4 H GLY 4 -24.984 1.632 -3.635
15 HA2 GLY 4 1HA GLY 4 -25.685 -0.366 -4.705
16 HA3 GLY 4 2HA GLY 4 -25.675 0.485 -6.243
17 H SER 5 H SER 5 -23.756 -1.207 -3.878
18 HA SER 5 HA SER 5 -21.512 -1.242 -5.789
19 HB2 SER 5 1HB SER 5 -21.431 -1.455 -2.770
20 HB3 SER 5 2HB SER 5 -20.034 -1.639 -3.829
21 HG SER 5 HG SER 5 -20.853 0.571 -4.615
22 H SER 6 H SER 6 -20.108 -3.234 -5.527
23 HA SER 6 HA SER 6 -21.640 -5.527 -6.053
24 HB2 SER 6 1HB SER 6 -19.548 -6.715 -6.177
25 HB3 SER 6 2HB SER 6 -19.296 -5.107 -6.855
26 HG SER 6 HG SER 6 -18.635 -4.625 -4.535
27 H GLY 7 H GLY 7 -21.786 -7.514 -4.880
28 HA2 GLY 7 1HA GLY 7 -22.262 -7.086 -2.067
29 HA3 GLY 7 2HA GLY 7 -22.564 -8.566 -2.966
30 H ALA 8 H ALA 8 -19.630 -6.648 -2.319
31 HA ALA 8 HA ALA 8 -18.461 -9.020 -1.034
32 HB1 ALA 8 3HB ALA 8 -16.350 -7.718 -2.336
33 HB2 ALA 8 1HB ALA 8 -17.046 -9.293 -2.721
34 HB3 ALA 8 2HB ALA 8 -17.649 -7.841 -3.522
35 H GLY 9 H GLY 9 -16.487 -8.485 0.247
36 HA2 GLY 9 1HA GLY 9 -17.010 -6.105 1.819
37 HA3 GLY 9 2HA GLY 9 -15.852 -7.372 2.194
38 H GLU 10 H GLU 10 -15.221 -4.704 2.531
39 HA GLU 10 HA GLU 10 -13.871 -3.600 0.287
40 HB2 GLU 10 1HB GLU 10 -13.805 -3.032 3.240
41 HB3 GLU 10 2HB GLU 10 -12.729 -2.199 2.127
42 HG2 GLU 10 1HG GLU 10 -15.729 -2.212 1.911
43 HG3 GLU 10 2HG GLU 10 -14.780 -0.934 2.668
44 H LYS 11 H LYS 11 -11.547 -3.246 0.125
45 HA LYS 11 HA LYS 11 -10.102 -5.697 0.593
46 HB2 LYS 11 1HB LYS 11 -9.548 -3.145 -0.872
47 HB3 LYS 11 2HB LYS 11 -8.215 -4.227 -0.489
48 HG2 LYS 11 1HG LYS 11 -8.983 -5.889 -1.887
49 HG3 LYS 11 2HG LYS 11 -10.648 -5.304 -1.840
50 HD2 LYS 11 1HD LYS 11 -8.411 -3.746 -3.116
51 HD3 LYS 11 2HD LYS 11 -9.378 -4.926 -4.004
52 HE2 LYS 11 1HE LYS 11 -11.272 -3.636 -3.922
53 HE3 LYS 11 2HE LYS 11 -10.785 -2.824 -2.435
54 HZ1 LYS 11 3HZ LYS 11 -9.269 -1.472 -3.624
55 HZ2 LYS 11 1HZ LYS 11 -10.728 -1.419 -4.479
56 HZ3 LYS 11 2HZ LYS 11 -9.451 -2.373 -5.044
57 HA PRO 12 HA PRO 12 -8.125 -4.542 4.353
58 HB2 PRO 12 1HB PRO 12 -5.929 -6.131 4.194
59 HB3 PRO 12 2HB PRO 12 -7.543 -6.756 4.552
60 HG2 PRO 12 1HG PRO 12 -6.053 -6.734 1.956
61 HG3 PRO 12 2HG PRO 12 -7.020 -8.033 2.680
62 HD2 PRO 12 1HD PRO 12 -7.972 -6.429 0.717
63 HD3 PRO 12 2HD PRO 12 -9.013 -7.107 1.985
64 H TYR 13 H TYR 13 -6.379 -4.394 1.309
65 HA TYR 13 HA TYR 13 -4.423 -2.551 2.486
66 HB2 TYR 13 1HB TYR 13 -4.339 -3.639 -0.320
67 HB3 TYR 13 2HB TYR 13 -3.014 -2.997 0.644
68 HD1 TYR 13 HD2 TYR 13 -2.478 -4.341 2.839
69 HD2 TYR 13 HD1 TYR 13 -4.591 -5.934 -0.493
70 HE1 TYR 13 HE2 TYR 13 -1.901 -6.618 3.568
71 HE2 TYR 13 HE1 TYR 13 -4.021 -8.215 0.228
72 HH TYR 13 HH TYR 13 -3.349 -9.210 2.823
73 H GLY 14 H GLY 14 -3.727 -0.751 0.910
74 HA2 GLY 14 1HA GLY 14 -5.030 0.409 -1.096
75 HA3 GLY 14 2HA GLY 14 -6.147 0.723 0.224
76 H CYS 15 H CYS 15 -3.964 2.216 -1.548
77 HA CYS 15 HA CYS 15 -2.218 3.416 0.334
78 HB2 CYS 15 1HB CYS 15 -1.680 3.402 -2.037
79 HB3 CYS 15 2HB CYS 15 -3.116 4.355 -2.398
80 H SER 16 H SER 16 -2.721 4.797 1.888
81 HA SER 16 HA SER 16 -5.214 6.321 1.699
82 HB2 SER 16 1HB SER 16 -3.413 5.583 4.000
83 HB3 SER 16 2HB SER 16 -4.661 6.818 4.163
84 HG SER 16 HG SER 16 -5.840 5.122 4.626
85 H GLU 17 H GLU 17 -3.166 7.210 0.042
86 HA GLU 17 HA GLU 17 -2.488 9.778 1.313
87 HB2 GLU 17 1HB GLU 17 -0.759 7.919 -0.259
88 HB3 GLU 17 2HB GLU 17 -0.492 9.649 -0.419
89 HG2 GLU 17 1HG GLU 17 -0.428 8.088 2.153
90 HG3 GLU 17 2HG GLU 17 0.974 8.667 1.255
91 H CYS 18 H CYS 18 -3.062 8.056 -1.729
92 HA CYS 18 HA CYS 18 -3.959 10.604 -2.909
93 HB2 CYS 18 1HB CYS 18 -3.355 9.670 -5.108
94 HB3 CYS 18 2HB CYS 18 -1.962 9.762 -4.034
95 H GLY 19 H GLY 19 -4.480 7.086 -2.905
96 HA2 GLY 19 1HA GLY 19 -6.903 6.525 -2.438
97 HA3 GLY 19 2HA GLY 19 -7.252 7.592 -3.790
98 H LYS 20 H LYS 20 -5.023 4.879 -3.153
99 HA LYS 20 HA LYS 20 -6.029 3.612 -5.612
100 HB2 LYS 20 1HB LYS 20 -3.628 4.729 -5.604
101 HB3 LYS 20 2HB LYS 20 -3.180 3.228 -4.805
102 HG2 LYS 20 1HG LYS 20 -4.134 1.975 -6.710
103 HG3 LYS 20 2HG LYS 20 -4.451 3.511 -7.519
104 HD2 LYS 20 1HD LYS 20 -1.973 3.996 -7.247
105 HD3 LYS 20 2HD LYS 20 -1.793 2.299 -6.795
106 HE2 LYS 20 1HE LYS 20 -3.106 3.179 -9.355
107 HE3 LYS 20 2HE LYS 20 -1.375 2.871 -9.228
108 HZ1 LYS 20 3HZ LYS 20 -3.082 1.005 -9.932
109 HZ2 LYS 20 1HZ LYS 20 -3.182 0.793 -8.257
110 HZ3 LYS 20 2HZ LYS 20 -1.690 0.649 -9.040
111 H ALA 21 H ALA 21 -5.580 1.253 -5.695
112 HA ALA 21 HA ALA 21 -5.344 0.020 -3.042
113 HB1 ALA 21 3HB ALA 21 -7.221 -1.516 -3.631
114 HB2 ALA 21 1HB ALA 21 -7.704 0.162 -3.382
115 HB3 ALA 21 2HB ALA 21 -7.562 -0.482 -5.018
116 H PHE 22 H PHE 22 -5.161 -2.431 -3.263
117 HA PHE 22 HA PHE 22 -4.021 -3.347 -5.768
118 HB2 PHE 22 1HB PHE 22 -2.385 -3.292 -3.223
119 HB3 PHE 22 2HB PHE 22 -1.908 -4.082 -4.722
120 HD1 PHE 22 HD1 PHE 22 -2.569 -0.824 -3.132
121 HD2 PHE 22 HD2 PHE 22 -0.971 -2.854 -6.515
122 HE1 PHE 22 HE1 PHE 22 -1.543 1.276 -3.903
123 HE2 PHE 22 HE2 PHE 22 0.058 -0.758 -7.291
124 HZ PHE 22 HZ PHE 22 -0.226 1.310 -5.984
125 H SER 23 H SER 23 -3.160 -5.709 -5.387
126 HA SER 23 HA SER 23 -5.385 -7.162 -4.253
127 HB2 SER 23 1HB SER 23 -2.972 -7.932 -5.875
128 HB3 SER 23 2HB SER 23 -3.971 -9.164 -5.106
129 HG SER 23 HG SER 23 -5.767 -7.932 -6.217
130 H SER 24 H SER 24 -1.877 -6.989 -3.720
131 HA SER 24 HA SER 24 -2.326 -8.079 -1.022
132 HB2 SER 24 1HB SER 24 0.090 -8.650 -2.754
133 HB3 SER 24 2HB SER 24 -0.244 -9.316 -1.155
134 HG SER 24 HG SER 24 -1.444 -9.905 -3.621
135 H LYS 25 H LYS 25 -0.705 -7.450 0.563
136 HA LYS 25 HA LYS 25 -0.271 -4.731 0.710
137 HB2 LYS 25 1HB LYS 25 -0.140 -6.292 2.628
138 HB3 LYS 25 2HB LYS 25 1.399 -6.886 2.018
139 HG2 LYS 25 1HG LYS 25 2.258 -4.527 2.219
140 HG3 LYS 25 2HG LYS 25 0.771 -4.151 3.092
141 HD2 LYS 25 1HD LYS 25 2.195 -4.655 4.830
142 HD3 LYS 25 2HD LYS 25 1.447 -6.227 4.535
143 HE2 LYS 25 1HE LYS 25 3.415 -6.696 2.993
144 HE3 LYS 25 2HE LYS 25 4.172 -5.268 3.697
145 HZ1 LYS 25 3HZ LYS 25 3.232 -6.863 5.787
146 HZ2 LYS 25 1HZ LYS 25 4.837 -6.512 5.383
147 HZ3 LYS 25 2HZ LYS 25 4.077 -7.873 4.726
148 H SER 26 H SER 26 2.103 -7.230 -0.192
149 HA SER 26 HA SER 26 4.364 -5.847 -0.597
150 HB2 SER 26 1HB SER 26 3.167 -7.854 -2.521
151 HB3 SER 26 2HB SER 26 4.851 -7.330 -2.542
152 HG SER 26 HG SER 26 5.250 -8.496 -0.813
153 H TYR 27 H TYR 27 1.839 -6.093 -3.106
154 HA TYR 27 HA TYR 27 2.943 -4.372 -4.963
155 HB2 TYR 27 1HB TYR 27 0.155 -5.217 -4.318
156 HB3 TYR 27 2HB TYR 27 0.378 -3.877 -5.438
157 HD1 TYR 27 HD2 TYR 27 2.391 -4.445 -7.220
158 HD2 TYR 27 HD1 TYR 27 -0.169 -7.260 -5.317
159 HE1 TYR 27 HE2 TYR 27 2.790 -6.038 -9.051
160 HE2 TYR 27 HE1 TYR 27 0.224 -8.861 -7.142
161 HH TYR 27 HH TYR 27 2.173 -7.986 -9.965
162 H LEU 28 H LEU 28 0.509 -3.528 -2.494
163 HA LEU 28 HA LEU 28 0.335 -0.825 -2.929
164 HB2 LEU 28 1HB LEU 28 -1.113 -1.899 -1.366
165 HB3 LEU 28 2HB LEU 28 0.246 -2.363 -0.343
166 HG LEU 28 HG LEU 28 0.610 0.084 0.107
167 HD11 LEU 28 1HD1 LEU 28 -1.269 0.372 -1.949
168 HD12 LEU 28 2HD1 LEU 28 -0.565 1.640 -0.947
169 HD13 LEU 28 3HD1 LEU 28 -2.085 0.883 -0.471
170 HD21 LEU 28 3HD2 LEU 28 -1.903 -1.336 0.935
171 HD22 LEU 28 1HD2 LEU 28 -1.459 0.240 1.592
172 HD23 LEU 28 2HD2 LEU 28 -0.394 -1.146 1.830
173 H ILE 29 H ILE 29 2.657 -2.493 -0.813
174 HA ILE 29 HA ILE 29 4.009 -0.344 0.232
175 HB ILE 29 HB ILE 29 5.239 -2.943 -0.693
176 HG12 ILE 29 1HG1 ILE 29 3.456 -3.416 0.836
177 HG13 ILE 29 2HG1 ILE 29 4.963 -3.558 1.734
178 HG21 ILE 29 1HG2 ILE 29 6.663 -0.805 -0.043
179 HG22 ILE 29 2HG2 ILE 29 6.318 -1.382 1.587
180 HG23 ILE 29 3HG2 ILE 29 7.149 -2.431 0.438
181 HD11 ILE 29 3HD1 ILE 29 3.375 -2.428 3.099
182 HD12 ILE 29 1HD1 ILE 29 4.588 -1.254 2.589
183 HD13 ILE 29 2HD1 ILE 29 3.005 -1.280 1.812
184 H ILE 30 H ILE 30 4.896 -2.083 -2.756
185 HA ILE 30 HA ILE 30 7.005 -0.526 -3.577
186 HB ILE 30 HB ILE 30 4.895 -1.738 -5.367
187 HG12 ILE 30 1HG1 ILE 30 7.559 -2.931 -4.613
188 HG13 ILE 30 2HG1 ILE 30 6.100 -3.246 -3.681
189 HG21 ILE 30 1HG2 ILE 30 6.603 0.017 -6.261
190 HG22 ILE 30 2HG2 ILE 30 7.744 -1.322 -6.149
191 HG23 ILE 30 3HG2 ILE 30 6.310 -1.469 -7.165
192 HD11 ILE 30 3HD1 ILE 30 5.104 -3.953 -5.966
193 HD12 ILE 30 1HD1 ILE 30 6.794 -4.095 -6.452
194 HD13 ILE 30 2HD1 ILE 30 6.180 -5.050 -5.102
195 H HIS 31 H HIS 31 3.570 0.149 -3.838
196 HA HIS 31 HA HIS 31 3.915 2.460 -5.510
197 HB2 HIS 31 1HB HIS 31 1.828 1.374 -5.735
198 HB3 HIS 31 2HB HIS 31 1.580 1.311 -3.993
199 HD1 HIS 31 HD1 HIS 31 1.099 3.481 -6.957
200 HD2 HIS 31 HD2 HIS 31 0.710 3.754 -2.829
201 HE1 HIS 31 HE1 HIS 31 -0.233 5.574 -6.544
202 H MET 32 H MET 32 3.398 1.863 -2.065
203 HA MET 32 HA MET 32 2.987 4.468 -1.198
204 HB2 MET 32 1HB MET 32 4.068 1.991 0.054
205 HB3 MET 32 2HB MET 32 4.298 3.508 0.912
206 HG2 MET 32 1HG MET 32 1.581 2.865 -0.094
207 HG3 MET 32 2HG MET 32 2.186 1.988 1.310
208 HE1 MET 32 3HE MET 32 -0.478 4.815 1.869
209 HE2 MET 32 1HE MET 32 0.360 5.751 0.630
210 HE3 MET 32 2HE MET 32 -0.030 4.055 0.341
211 H ARG 33 H ARG 33 5.805 3.042 -2.504
212 HA ARG 33 HA ARG 33 7.807 4.571 -1.255
213 HB2 ARG 33 1HB ARG 33 7.658 3.222 -3.946
214 HB3 ARG 33 2HB ARG 33 9.095 4.083 -3.409
215 HG2 ARG 33 1HG ARG 33 9.149 2.587 -1.411
216 HG3 ARG 33 2HG ARG 33 7.842 1.658 -2.148
217 HD2 ARG 33 1HD ARG 33 9.352 1.427 -4.176
218 HD3 ARG 33 2HD ARG 33 10.647 2.052 -3.156
219 HE ARG 33 HE ARG 33 9.399 -0.102 -1.852
220 HH11 ARG 33 1HH1 ARG 33 11.453 0.565 -4.583
221 HH12 ARG 33 2HH1 ARG 33 12.225 -0.985 -4.546
222 HH21 ARG 33 1HH2 ARG 33 10.408 -2.147 -1.794
223 HH22 ARG 33 2HH2 ARG 33 11.630 -2.527 -2.961
224 H THR 34 H THR 34 5.634 5.260 -3.907
225 HA THR 34 HA THR 34 6.961 7.514 -4.955
226 HB THR 34 HB THR 34 4.972 6.187 -5.949
227 HG1 THR 34 HG1 THR 34 4.978 9.037 -6.074
228 HG21 THR 34 3HG2 THR 34 3.437 8.305 -4.444
229 HG22 THR 34 1HG2 THR 34 3.480 6.601 -3.994
230 HG23 THR 34 2HG2 THR 34 2.779 7.088 -5.537
231 H HIS 35 H HIS 35 4.866 7.080 -2.204
232 HA HIS 35 HA HIS 35 4.563 9.951 -1.816
233 HB2 HIS 35 1HB HIS 35 3.514 7.583 -0.257
234 HB3 HIS 35 2HB HIS 35 3.201 9.263 0.171
235 HD1 HIS 35 HD1 HIS 35 1.771 10.654 -1.606
236 HD2 HIS 35 HD2 HIS 35 1.846 6.537 -2.160
237 HE1 HIS 35 HE1 HIS 35 -0.138 10.151 -3.163
238 H SER 36 H SER 36 7.100 9.758 -1.693
239 HA SER 36 HA SER 36 9.029 9.761 -0.451
240 HB2 SER 36 1HB SER 36 7.871 11.875 0.193
241 HB3 SER 36 2HB SER 36 7.177 11.034 1.579
242 HG SER 36 HG SER 36 9.631 10.516 1.865
243 H GLY 37 H GLY 37 7.927 7.264 -0.313
244 HA2 GLY 37 1HA GLY 37 7.248 6.135 2.080
245 HA3 GLY 37 2HA GLY 37 8.253 5.324 0.888
246 H GLU 38 H GLU 38 10.503 5.325 1.130
247 HA GLU 38 HA GLU 38 11.460 5.143 3.742
248 HB2 GLU 38 1HB GLU 38 13.745 5.209 2.646
249 HB3 GLU 38 2HB GLU 38 12.640 3.976 2.053
250 HG2 GLU 38 1HG GLU 38 12.115 5.352 0.120
251 HG3 GLU 38 2HG GLU 38 13.184 6.619 0.719
252 H LYS 39 H LYS 39 11.203 6.895 5.037
253 HA LYS 39 HA LYS 39 12.410 9.431 4.155
254 HB2 LYS 39 1HB LYS 39 10.012 9.543 4.731
255 HB3 LYS 39 2HB LYS 39 10.380 8.947 6.344
256 HG2 LYS 39 1HG LYS 39 10.300 11.167 6.790
257 HG3 LYS 39 2HG LYS 39 12.003 11.041 6.343
258 HD2 LYS 39 1HD LYS 39 11.519 11.804 4.107
259 HD3 LYS 39 2HD LYS 39 9.785 11.791 4.439
260 HE2 LYS 39 1HE LYS 39 10.326 14.028 4.688
261 HE3 LYS 39 2HE LYS 39 10.390 13.435 6.347
262 HZ1 LYS 39 3HZ LYS 39 12.460 14.574 4.767
263 HZ2 LYS 39 1HZ LYS 39 12.915 13.047 5.336
264 HZ3 LYS 39 2HZ LYS 39 12.437 14.248 6.427
265 HA PRO 40 HA PRO 40 15.642 8.766 7.093
266 HB2 PRO 40 1HB PRO 40 16.611 11.301 7.149
267 HB3 PRO 40 2HB PRO 40 16.892 10.194 5.799
268 HG2 PRO 40 1HG PRO 40 14.881 12.397 6.055
269 HG3 PRO 40 2HG PRO 40 15.900 11.968 4.669
270 HD2 PRO 40 1HD PRO 40 13.293 11.254 4.837
271 HD3 PRO 40 2HD PRO 40 14.507 10.252 4.015
272 H SER 41 H SER 41 16.164 9.222 9.251
273 HA SER 41 HA SER 41 14.081 10.699 10.716
274 HB2 SER 41 1HB SER 41 14.764 9.286 12.672
275 HB3 SER 41 2HB SER 41 14.096 8.363 11.326
276 HG SER 41 HG SER 41 16.147 7.721 10.765
277 H GLY 42 H GLY 42 17.566 10.022 10.642
278 HA2 GLY 42 1HA GLY 42 19.351 11.358 11.210
279 HA3 GLY 42 2HA GLY 42 18.231 12.709 11.303
280 HA PRO 43 HA PRO 43 18.437 10.516 15.645
281 HB2 PRO 43 1HB PRO 43 20.721 9.113 16.074
282 HB3 PRO 43 2HB PRO 43 19.248 8.377 15.431
283 HG2 PRO 43 1HG PRO 43 21.691 9.309 13.974
284 HG3 PRO 43 2HG PRO 43 20.747 7.826 13.741
285 HD2 PRO 43 1HD PRO 43 20.483 9.989 12.133
286 HD3 PRO 43 2HD PRO 43 19.129 8.902 12.501
287 H SER 44 H SER 44 20.541 12.397 13.908
288 HA SER 44 HA SER 44 22.055 13.268 16.269
289 HB2 SER 44 1HB SER 44 22.504 13.973 13.359
290 HB3 SER 44 2HB SER 44 23.560 14.385 14.709
291 HG SER 44 HG SER 44 24.185 12.317 14.876
292 H SER 45 H SER 45 20.523 14.522 17.307
293 HA SER 45 HA SER 45 19.089 16.588 15.897
294 HB2 SER 45 1HB SER 45 19.302 15.962 18.851
295 HB3 SER 45 2HB SER 45 18.233 17.182 18.160
296 HG SER 45 HG SER 45 17.732 14.630 18.472
297 H GLY 46 H GLY 46 21.713 17.029 15.418
298 HA2 GLY 46 1HA GLY 46 23.115 18.867 15.335
299 HA3 GLY 46 2HA GLY 46 22.070 19.669 16.498