Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
23765 | 2jy8 RC | 15592 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 33.490 11.238 8.182
2 H2 GLY 1 2H GLY 1 33.057 12.765 8.765
3 H3 GLY 1 3H GLY 1 32.794 11.392 9.717
4 HA2 GLY 1 HA2 GLY 1 35.373 12.660 9.013
5 HA3 GLY 1 HA3 GLY 1 34.692 12.424 10.615
6 H SER 2 H SER 2 35.607 10.854 11.739
7 HA SER 2 HA SER 2 36.818 8.603 10.273
8 HG SER 2 HG SER 2 38.488 10.961 11.179
9 HB2 SER 2 HB2 SER 2 37.613 9.872 12.902
10 HB3 SER 2 HB3 SER 2 38.301 8.366 12.295
11 HA PRO 3 HA PRO 3 33.656 6.461 12.699
12 HB2 PRO 3 HB2 PRO 3 32.865 4.778 10.826
13 HB3 PRO 3 HB3 PRO 3 32.510 6.504 10.659
14 HG2 PRO 3 HG2 PRO 3 34.631 4.866 9.327
15 HG3 PRO 3 HG3 PRO 3 33.618 6.153 8.646
16 HD2 PRO 3 HD2 PRO 3 36.239 6.449 9.604
17 HD3 PRO 3 HD3 PRO 3 35.093 7.764 9.285
18 HA PRO 4 HA PRO 4 36.320 3.057 13.877
19 HB2 PRO 4 HB2 PRO 4 34.770 2.056 15.836
20 HB3 PRO 4 HB3 PRO 4 35.682 3.555 16.035
21 HG2 PRO 4 HG2 PRO 4 32.779 3.159 15.469
22 HG3 PRO 4 HG3 PRO 4 33.566 4.365 16.500
23 HD2 PRO 4 HD2 PRO 4 32.649 4.845 13.941
24 HD3 PRO 4 HD3 PRO 4 33.907 5.796 14.754
25 H GLU 5 H GLU 5 36.490 1.216 12.752
26 HA GLU 5 HA GLU 5 35.939 -0.928 12.090
27 HB2 GLU 5 HB2 GLU 5 33.028 -0.308 12.553
28 HB3 GLU 5 HB3 GLU 5 33.802 -1.884 12.459
29 HG2 GLU 5 HG2 GLU 5 35.120 -0.846 14.558
30 HG3 GLU 5 HG3 GLU 5 33.576 -0.013 14.720
31 H ALA 6 H ALA 6 34.799 2.018 10.994
32 HA ALA 6 HA ALA 6 34.233 0.902 8.327
33 HB1 ALA 6 HB1 ALA 6 33.124 3.518 8.597
34 HB2 ALA 6 HB2 ALA 6 32.571 2.519 9.941
35 HB3 ALA 6 HB3 ALA 6 32.298 1.992 8.281
36 H ASP 7 H ASP 7 36.779 1.750 9.534
37 HA ASP 7 HA ASP 7 37.633 3.475 7.384
38 HB2 ASP 7 HB2 ASP 7 37.406 5.346 8.633
39 HB3 ASP 7 HB3 ASP 7 37.333 4.454 10.144
40 HA PRO 8 HA PRO 8 41.533 1.761 9.721
41 HB2 PRO 8 HB2 PRO 8 40.339 -0.032 11.740
42 HB3 PRO 8 HB3 PRO 8 41.658 1.127 11.908
43 HG2 PRO 8 HG2 PRO 8 39.242 1.585 12.978
44 HG3 PRO 8 HG3 PRO 8 40.235 2.896 12.315
45 HD2 PRO 8 HD2 PRO 8 37.865 1.518 11.114
46 HD3 PRO 8 HD3 PRO 8 38.315 3.234 11.077
47 H ARG 9 H ARG 9 39.226 -0.821 10.514
48 HA ARG 9 HA ARG 9 40.566 -2.869 9.248
49 HE ARG 9 HE ARG 9 38.309 -3.266 14.194
50 HB2 ARG 9 HB2 ARG 9 37.659 -2.491 9.914
51 HB3 ARG 9 HB3 ARG 9 38.240 -3.966 9.152
52 HG2 ARG 9 HG2 ARG 9 38.277 -4.529 11.379
53 HG3 ARG 9 HG3 ARG 9 39.940 -4.007 11.111
54 HD2 ARG 9 HD2 ARG 9 39.432 -1.821 12.032
55 HD3 ARG 9 HD3 ARG 9 37.736 -2.271 12.228
56 HH11 ARG 9 HH11 ARG 9 41.158 -3.018 12.210
57 HH12 ARG 9 HH12 ARG 9 42.222 -3.637 13.428
58 HH21 ARG 9 HH21 ARG 9 39.704 -4.085 15.812
59 HH22 ARG 9 HH22 ARG 9 41.396 -4.242 15.476
60 H LEU 10 H LEU 10 38.853 -0.309 7.820
61 HA LEU 10 HA LEU 10 38.444 -1.750 5.319
62 HG LEU 10 HG LEU 10 35.639 -0.800 5.164
63 HB2 LEU 10 HB2 LEU 10 37.053 0.322 6.562
64 HB3 LEU 10 HB3 LEU 10 37.904 1.111 5.237
65 HD11 LEU 10 HD11 LEU 10 35.683 0.661 2.856
66 HD12 LEU 10 HD12 LEU 10 36.437 1.754 4.015
67 HD13 LEU 10 HD13 LEU 10 34.830 1.101 4.333
68 HD21 LEU 10 HD21 LEU 10 38.037 -1.077 3.452
69 HD22 LEU 10 HD22 LEU 10 36.460 -1.182 2.667
70 HD23 LEU 10 HD23 LEU 10 36.869 -2.286 3.982
71 H ILE 11 H ILE 11 40.134 1.127 6.541
72 HA ILE 11 HA ILE 11 41.549 1.636 4.139
73 HB ILE 11 HB ILE 11 41.165 3.136 6.321
74 HG12 ILE 11 HG12 ILE 11 43.697 3.448 4.713
75 HG13 ILE 11 HG13 ILE 11 42.098 3.717 4.016
76 HG21 ILE 11 HG21 ILE 11 43.196 3.399 7.615
77 HG22 ILE 11 HG22 ILE 11 43.992 2.135 6.672
78 HG23 ILE 11 HG23 ILE 11 42.635 1.730 7.726
79 HD11 ILE 11 HD11 ILE 11 43.438 5.246 6.223
80 HD12 ILE 11 HD12 ILE 11 41.722 5.403 5.849
81 HD13 ILE 11 HD13 ILE 11 42.931 5.829 4.638
82 H GLU 12 H GLU 12 41.886 -0.885 6.341
83 HA GLU 12 HA GLU 12 44.745 -1.061 6.177
84 HB2 GLU 12 HB2 GLU 12 42.624 -2.841 7.346
85 HB3 GLU 12 HB3 GLU 12 44.296 -3.369 7.229
86 HG2 GLU 12 HG2 GLU 12 43.071 -1.313 8.976
87 HG3 GLU 12 HG3 GLU 12 44.280 -2.541 9.346
88 H SER 13 H SER 13 42.097 -3.153 5.025
89 HA SER 13 HA SER 13 43.530 -4.898 3.517
90 HG SER 13 HG SER 13 40.771 -5.555 1.479
91 HB2 SER 13 HB2 SER 13 41.135 -5.096 3.580
92 HB3 SER 13 HB3 SER 13 40.930 -3.523 2.809
93 H LEU 14 H LEU 14 43.076 -1.477 2.967
94 HA LEU 14 HA LEU 14 43.987 -1.506 0.253
95 HG LEU 14 HG LEU 14 42.337 0.354 -0.532
96 HB2 LEU 14 HB2 LEU 14 43.418 0.636 2.270
97 HB3 LEU 14 HB3 LEU 14 44.225 1.030 0.755
98 HD11 LEU 14 HD11 LEU 14 41.429 -1.552 0.319
99 HD12 LEU 14 HD12 LEU 14 40.253 -0.384 0.920
100 HD13 LEU 14 HD13 LEU 14 41.521 -0.987 1.987
101 HD21 LEU 14 HD21 LEU 14 42.296 2.523 0.987
102 HD22 LEU 14 HD22 LEU 14 40.917 1.693 1.706
103 HD23 LEU 14 HD23 LEU 14 40.921 2.064 -0.018
104 H SER 15 H SER 15 45.513 -1.249 3.359
105 HA SER 15 HA SER 15 47.863 0.025 2.896
106 HG SER 15 HG SER 15 49.240 -0.740 5.446
107 HB2 SER 15 HB2 SER 15 46.973 -2.004 4.733
108 HB3 SER 15 HB3 SER 15 48.633 -2.338 4.244
109 H GLN 16 H GLN 16 46.765 -2.877 1.507
110 HA GLN 16 HA GLN 16 49.322 -3.767 0.488
111 HB2 GLN 16 HB2 GLN 16 48.016 -5.485 -0.711
112 HB3 GLN 16 HB3 GLN 16 47.653 -5.450 1.009
113 HG2 GLN 16 HG2 GLN 16 45.515 -5.362 0.457
114 HG3 GLN 16 HG3 GLN 16 45.803 -3.723 -0.123
115 HE21 GLN 16 HE21 GLN 16 43.872 -4.549 -1.420
116 HE22 GLN 16 HE22 GLN 16 44.243 -5.255 -2.958
117 H MET 17 H MET 17 46.506 -2.023 -0.733
118 HA MET 17 HA MET 17 47.724 -1.805 -3.384
119 HB2 MET 17 HB2 MET 17 45.416 -2.359 -3.487
120 HB3 MET 17 HB3 MET 17 44.990 -1.135 -2.301
121 HG2 MET 17 HG2 MET 17 44.550 -0.802 -4.877
122 HG3 MET 17 HG3 MET 17 44.987 0.552 -3.829
123 HE1 MET 17 HE1 MET 17 48.021 -1.675 -6.502
124 HE2 MET 17 HE2 MET 17 46.284 -1.920 -6.693
125 HE3 MET 17 HE3 MET 17 47.084 -2.401 -5.197
126 H LEU 18 H LEU 18 46.311 0.340 -0.903
127 HA LEU 18 HA LEU 18 46.889 2.780 -1.940
128 HG LEU 18 HG LEU 18 47.944 4.082 1.088
129 HB2 LEU 18 HB2 LEU 18 45.635 2.450 0.109
130 HB3 LEU 18 HB3 LEU 18 47.093 1.927 0.945
131 HD11 LEU 18 HD11 LEU 18 48.011 5.181 -0.870
132 HD12 LEU 18 HD12 LEU 18 46.490 5.888 -0.333
133 HD13 LEU 18 HD13 LEU 18 46.482 4.499 -1.417
134 HD21 LEU 18 HD21 LEU 18 45.500 3.614 2.097
135 HD22 LEU 18 HD22 LEU 18 45.154 5.029 1.102
136 HD23 LEU 18 HD23 LEU 18 46.391 5.114 2.356
137 H SER 19 H SER 19 49.254 0.473 -1.060
138 HA SER 19 HA SER 19 51.367 2.034 -0.180
139 HG SER 19 HG SER 19 51.613 -1.321 -2.376
140 HB2 SER 19 HB2 SER 19 52.729 0.201 -0.620
141 HB3 SER 19 HB3 SER 19 51.138 -0.546 -0.476
142 H MET 20 H MET 20 49.791 2.319 -3.125
143 HA MET 20 HA MET 20 52.132 3.611 -4.354
144 HB2 MET 20 HB2 MET 20 51.457 1.752 -5.737
145 HB3 MET 20 HB3 MET 20 49.774 2.256 -5.676
146 HG2 MET 20 HG2 MET 20 50.167 4.116 -7.061
147 HG3 MET 20 HG3 MET 20 51.920 3.976 -6.877
148 HE1 MET 20 HE1 MET 20 49.508 0.961 -7.372
149 HE2 MET 20 HE2 MET 20 49.455 0.788 -9.126
150 HE3 MET 20 HE3 MET 20 48.697 2.181 -8.354
151 H GLY 21 H GLY 21 48.712 3.730 -3.693
152 HA2 GLY 21 HA2 GLY 21 47.663 5.804 -2.991
153 HA3 GLY 21 HA3 GLY 21 48.769 6.661 -4.059
154 H PHE 22 H PHE 22 46.708 3.830 -4.572
155 HA PHE 22 HA PHE 22 45.059 5.320 -6.456
156 HD1 PHE 22 HD1 PHE 22 44.237 5.101 -8.874
157 HD2 PHE 22 HD2 PHE 22 45.921 1.236 -8.304
158 HE1 PHE 22 HE1 PHE 22 42.651 4.173 -10.510
159 HE2 PHE 22 HE2 PHE 22 44.341 0.301 -9.941
160 HZ PHE 22 HZ PHE 22 42.703 1.770 -11.047
161 HB2 PHE 22 HB2 PHE 22 46.706 4.590 -7.975
162 HB3 PHE 22 HB3 PHE 22 46.843 3.015 -7.202
163 H SER 23 H SER 23 43.053 4.410 -6.841
164 HA SER 23 HA SER 23 42.306 2.265 -4.984
165 HG SER 23 HG SER 23 40.998 5.097 -4.151
166 HB2 SER 23 HB2 SER 23 40.237 3.853 -6.424
167 HB3 SER 23 HB3 SER 23 40.243 3.247 -4.764
168 H ASP 24 H ASP 24 40.682 0.693 -5.780
169 HA ASP 24 HA ASP 24 41.466 -0.189 -8.415
170 HB2 ASP 24 HB2 ASP 24 40.900 -2.274 -7.732
171 HB3 ASP 24 HB3 ASP 24 41.004 -1.524 -6.139
172 H GLU 25 H GLU 25 40.526 0.843 -10.044
173 HA GLU 25 HA GLU 25 37.656 1.384 -9.964
174 HB2 GLU 25 HB2 GLU 25 39.982 2.542 -11.333
175 HB3 GLU 25 HB3 GLU 25 38.561 2.383 -12.357
176 HG2 GLU 25 HG2 GLU 25 37.331 3.869 -11.117
177 HG3 GLU 25 HG3 GLU 25 38.274 3.598 -9.653
178 H GLY 26 H GLY 26 39.767 -0.973 -11.080
179 HA2 GLY 26 HA2 GLY 26 38.069 -1.700 -13.362
180 HA3 GLY 26 HA3 GLY 26 39.659 -2.372 -12.999
181 H GLY 27 H GLY 27 37.718 -2.149 -10.243
182 HA2 GLY 27 HA2 GLY 27 36.459 -3.670 -9.057
183 HA3 GLY 27 HA3 GLY 27 36.218 -4.560 -10.551
184 H TRP 28 H TRP 28 39.458 -4.283 -10.350
185 HA TRP 28 HA TRP 28 39.911 -6.975 -9.795
186 HD1 TRP 28 HD1 TRP 28 41.457 -2.920 -10.964
187 HE1 TRP 28 HE1 TRP 28 42.642 -1.187 -9.466
188 HE3 TRP 28 HE3 TRP 28 43.103 -6.039 -7.263
189 HZ2 TRP 28 HZ2 TRP 28 44.079 -1.155 -7.042
190 HZ3 TRP 28 HZ3 TRP 28 44.376 -5.078 -5.390
191 HH2 TRP 28 HH2 TRP 28 44.852 -2.685 -5.282
192 HB2 TRP 28 HB2 TRP 28 42.286 -6.409 -9.721
193 HB3 TRP 28 HB3 TRP 28 41.486 -5.559 -11.047
194 H LEU 29 H LEU 29 40.602 -4.182 -7.703
195 HA LEU 29 HA LEU 29 41.351 -5.746 -5.464
196 HG LEU 29 HG LEU 29 42.946 -3.789 -4.170
197 HB2 LEU 29 HB2 LEU 29 41.743 -3.215 -6.034
198 HB3 LEU 29 HB3 LEU 29 40.247 -2.991 -5.134
199 HD11 LEU 29 HD11 LEU 29 42.623 -2.137 -2.612
200 HD12 LEU 29 HD12 LEU 29 40.869 -2.320 -2.618
201 HD13 LEU 29 HD13 LEU 29 41.677 -1.513 -3.963
202 HD21 LEU 29 HD21 LEU 29 41.436 -5.702 -3.606
203 HD22 LEU 29 HD22 LEU 29 40.445 -4.570 -2.686
204 HD23 LEU 29 HD23 LEU 29 42.117 -4.866 -2.211
205 H THR 30 H THR 30 38.315 -4.125 -6.323
206 HA THR 30 HA THR 30 36.730 -4.298 -4.207
207 HB THR 30 HB THR 30 35.770 -5.584 -6.753
208 HG1 THR 30 HG1 THR 30 35.427 -3.411 -7.481
209 HG21 THR 30 HG21 THR 30 33.834 -3.952 -6.206
210 HG22 THR 30 HG22 THR 30 34.510 -3.985 -4.578
211 HG23 THR 30 HG23 THR 30 33.966 -5.481 -5.338
212 H ARG 31 H ARG 31 37.325 -7.159 -6.261
213 HA ARG 31 HA ARG 31 35.934 -9.041 -4.812
214 HE ARG 31 HE ARG 31 35.812 -11.523 -7.373
215 HB2 ARG 31 HB2 ARG 31 36.956 -9.606 -6.929
216 HB3 ARG 31 HB3 ARG 31 38.565 -9.341 -6.272
217 HG2 ARG 31 HG2 ARG 31 38.078 -11.710 -6.460
218 HG3 ARG 31 HG3 ARG 31 38.272 -11.242 -4.770
219 HD2 ARG 31 HD2 ARG 31 36.391 -12.669 -4.838
220 HD3 ARG 31 HD3 ARG 31 35.755 -11.030 -4.672
221 HH11 ARG 31 HH11 ARG 31 34.327 -12.983 -4.583
222 HH12 ARG 31 HH12 ARG 31 32.960 -13.581 -5.462
223 HH21 ARG 31 HH21 ARG 31 34.019 -12.305 -8.541
224 HH22 ARG 31 HH22 ARG 31 32.784 -13.196 -7.715
225 H LEU 32 H LEU 32 39.292 -7.998 -4.354
226 HA LEU 32 HA LEU 32 39.933 -9.650 -2.193
227 HG LEU 32 HG LEU 32 42.500 -9.535 -2.574
228 HB2 LEU 32 HB2 LEU 32 41.265 -7.787 -3.658
229 HB3 LEU 32 HB3 LEU 32 41.056 -6.923 -2.148
230 HD11 LEU 32 HD11 LEU 32 44.333 -8.294 -2.660
231 HD12 LEU 32 HD12 LEU 32 43.917 -7.499 -1.140
232 HD13 LEU 32 HD13 LEU 32 43.315 -6.854 -2.667
233 HD21 LEU 32 HD21 LEU 32 42.792 -8.507 0.073
234 HD22 LEU 32 HD22 LEU 32 42.185 -10.080 -0.445
235 HD23 LEU 32 HD23 LEU 32 41.077 -8.719 -0.274
236 H LEU 33 H LEU 33 39.320 -6.155 -1.937
237 HA LEU 33 HA LEU 33 38.972 -5.909 0.732
238 HG LEU 33 HG LEU 33 37.325 -2.649 0.273
239 HB2 LEU 33 HB2 LEU 33 38.711 -4.182 -1.215
240 HB3 LEU 33 HB3 LEU 33 36.999 -4.548 -1.051
241 HD11 LEU 33 HD11 LEU 33 37.586 -4.939 2.200
242 HD12 LEU 33 HD12 LEU 33 36.090 -4.482 1.384
243 HD13 LEU 33 HD13 LEU 33 36.863 -3.361 2.502
244 HD21 LEU 33 HD21 LEU 33 39.761 -2.659 0.273
245 HD22 LEU 33 HD22 LEU 33 39.755 -3.982 1.437
246 HD23 LEU 33 HD23 LEU 33 39.126 -2.401 1.898
247 H GLN 34 H GLN 34 36.617 -7.181 -1.561
248 HA GLN 34 HA GLN 34 34.338 -7.261 -0.026
249 HB2 GLN 34 HB2 GLN 34 35.306 -8.593 -2.370
250 HB3 GLN 34 HB3 GLN 34 34.505 -9.771 -1.340
251 HG2 GLN 34 HG2 GLN 34 32.786 -9.009 -2.672
252 HG3 GLN 34 HG3 GLN 34 32.606 -8.032 -1.209
253 HE21 GLN 34 HE21 GLN 34 34.131 -5.987 -1.356
254 HE22 GLN 34 HE22 GLN 34 33.924 -5.066 -2.815
255 H THR 35 H THR 35 37.284 -8.946 0.409
256 HA THR 35 HA THR 35 36.555 -11.195 1.842
257 HB THR 35 HB THR 35 38.893 -9.360 2.420
258 HG1 THR 35 HG1 THR 35 39.987 -10.547 0.924
259 HG21 THR 35 HG21 THR 35 40.030 -11.317 3.263
260 HG22 THR 35 HG22 THR 35 38.594 -12.300 2.976
261 HG23 THR 35 HG23 THR 35 38.557 -11.018 4.186
262 H LYS 36 H LYS 36 36.496 -7.827 2.738
263 HA LYS 36 HA LYS 36 36.234 -8.159 5.535
264 HB2 LYS 36 HB2 LYS 36 35.694 -5.958 3.584
265 HB3 LYS 36 HB3 LYS 36 35.043 -5.820 5.215
266 HG2 LYS 36 HG2 LYS 36 37.215 -4.684 4.894
267 HG3 LYS 36 HG3 LYS 36 37.235 -5.911 6.165
268 HD2 LYS 36 HD2 LYS 36 38.047 -7.468 4.213
269 HD3 LYS 36 HD3 LYS 36 38.526 -5.939 3.475
270 HE2 LYS 36 HE2 LYS 36 40.434 -6.559 4.630
271 HE3 LYS 36 HE3 LYS 36 39.640 -5.469 5.766
272 HZ1 LYS 36 HZ1 LYS 36 40.243 -7.297 7.045
273 HZ2 LYS 36 HZ2 LYS 36 39.808 -8.417 5.855
274 HZ3 LYS 36 HZ3 LYS 36 38.610 -7.588 6.713
275 H ASN 37 H ASN 37 34.070 -8.562 2.904
276 HA ASN 37 HA ASN 37 32.097 -9.786 3.063
277 HB2 ASN 37 HB2 ASN 37 31.640 -8.497 5.759
278 HB3 ASN 37 HB3 ASN 37 30.708 -9.808 5.026
279 HD21 ASN 37 HD21 ASN 37 33.066 -11.145 3.977
280 HD22 ASN 37 HD22 ASN 37 33.839 -11.899 5.341
281 H TYR 38 H TYR 38 32.815 -6.509 3.046
282 HA TYR 38 HA TYR 38 30.072 -6.017 2.217
283 HD1 TYR 38 HD1 TYR 38 33.436 -4.746 2.513
284 HD2 TYR 38 HD2 TYR 38 31.201 -3.168 5.770
285 HE1 TYR 38 HE1 TYR 38 35.520 -4.025 3.595
286 HE2 TYR 38 HE2 TYR 38 33.281 -2.441 6.857
287 HH TYR 38 HH TYR 38 36.186 -3.557 6.191
288 HB2 TYR 38 HB2 TYR 38 30.452 -3.589 2.920
289 HB3 TYR 38 HB3 TYR 38 30.212 -4.779 4.191
290 H ASP 39 H ASP 39 31.806 -3.194 1.730
291 HA ASP 39 HA ASP 39 32.635 -4.086 -0.918
292 HB2 ASP 39 HB2 ASP 39 30.273 -2.766 -0.567
293 HB3 ASP 39 HB3 ASP 39 31.375 -1.442 -0.948
294 H ILE 40 H ILE 40 34.167 -2.996 -1.970
295 HA ILE 40 HA ILE 40 36.071 -1.597 -0.376
296 HB ILE 40 HB ILE 40 36.566 -3.239 -2.287
297 HG12 ILE 40 HG12 ILE 40 37.906 -0.720 -1.575
298 HG13 ILE 40 HG13 ILE 40 38.546 -2.363 -1.624
299 HG21 ILE 40 HG21 ILE 40 35.016 -2.153 -3.880
300 HG22 ILE 40 HG22 ILE 40 36.647 -2.362 -4.519
301 HG23 ILE 40 HG23 ILE 40 36.117 -0.775 -3.960
302 HD11 ILE 40 HD11 ILE 40 38.115 -0.633 -4.049
303 HD12 ILE 40 HD12 ILE 40 38.934 -2.194 -3.980
304 HD13 ILE 40 HD13 ILE 40 39.646 -0.789 -3.187
305 H GLY 41 H GLY 41 33.441 -0.763 -2.435
306 HA2 GLY 41 HA2 GLY 41 34.116 1.673 -3.499
307 HA3 GLY 41 HA3 GLY 41 32.526 1.349 -2.801
308 H ALA 42 H ALA 42 33.177 0.913 -0.241
309 HA ALA 42 HA ALA 42 33.492 3.540 0.813
310 HB1 ALA 42 HB1 ALA 42 33.530 0.910 2.302
311 HB2 ALA 42 HB2 ALA 42 32.063 1.781 1.849
312 HB3 ALA 42 HB3 ALA 42 33.207 2.509 2.977
313 H ALA 43 H ALA 43 35.533 0.678 0.451
314 HA ALA 43 HA ALA 43 37.681 1.719 2.057
315 HB1 ALA 43 HB1 ALA 43 37.075 -0.744 0.949
316 HB2 ALA 43 HB2 ALA 43 38.542 -0.320 1.832
317 HB3 ALA 43 HB3 ALA 43 38.513 -0.219 0.074
318 H LEU 44 H LEU 44 37.551 1.082 -1.452
319 HA LEU 44 HA LEU 44 39.825 2.424 -2.194
320 HG LEU 44 HG LEU 44 38.533 3.980 -4.628
321 HB2 LEU 44 HB2 LEU 44 39.116 1.531 -4.109
322 HB3 LEU 44 HB3 LEU 44 37.471 1.398 -3.498
323 HD11 LEU 44 HD11 LEU 44 38.188 1.579 -6.063
324 HD12 LEU 44 HD12 LEU 44 38.473 3.199 -6.698
325 HD13 LEU 44 HD13 LEU 44 36.823 2.622 -6.462
326 HD21 LEU 44 HD21 LEU 44 36.571 4.580 -3.694
327 HD22 LEU 44 HD22 LEU 44 35.944 2.932 -3.690
328 HD23 LEU 44 HD23 LEU 44 35.898 3.890 -5.170
329 H ASP 45 H ASP 45 36.731 3.732 -1.297
330 HA ASP 45 HA ASP 45 36.997 6.305 -2.376
331 HB2 ASP 45 HB2 ASP 45 35.233 4.953 -0.524
332 HB3 ASP 45 HB3 ASP 45 35.557 6.605 -0.005
333 H THR 46 H THR 46 38.732 4.793 0.100
334 HA THR 46 HA THR 46 39.386 7.294 1.442
335 HB THR 46 HB THR 46 38.944 5.026 2.617
336 HG1 THR 46 HG1 THR 46 41.279 6.474 3.309
337 HG21 THR 46 HG21 THR 46 41.869 4.608 2.385
338 HG22 THR 46 HG22 THR 46 40.823 3.982 1.111
339 HG23 THR 46 HG23 THR 46 40.586 3.464 2.781
340 H ILE 47 H ILE 47 40.741 5.146 -0.901
341 HA ILE 47 HA ILE 47 43.465 5.878 -0.539
342 HB ILE 47 HB ILE 47 42.635 5.261 -3.302
343 HG12 ILE 47 HG12 ILE 47 41.888 3.524 -0.989
344 HG13 ILE 47 HG13 ILE 47 41.057 3.771 -2.521
345 HG21 ILE 47 HG21 ILE 47 44.977 5.339 -2.222
346 HG22 ILE 47 HG22 ILE 47 44.599 4.028 -3.340
347 HG23 ILE 47 HG23 ILE 47 44.570 3.739 -1.600
348 HD11 ILE 47 HD11 ILE 47 43.319 2.535 -3.348
349 HD12 ILE 47 HD12 ILE 47 41.801 1.717 -2.983
350 HD13 ILE 47 HD13 ILE 47 43.078 1.794 -1.767
351 H GLN 48 H GLN 48 40.743 7.480 -1.732
352 HA GLN 48 HA GLN 48 42.222 9.878 -2.227
353 HB2 GLN 48 HB2 GLN 48 40.992 9.913 -4.643
354 HB3 GLN 48 HB3 GLN 48 42.663 9.432 -4.396
355 HG2 GLN 48 HG2 GLN 48 42.201 7.191 -4.629
356 HG3 GLN 48 HG3 GLN 48 40.504 7.392 -4.207
357 HE21 GLN 48 HE21 GLN 48 40.527 5.933 -6.207
358 HE22 GLN 48 HE22 GLN 48 40.340 6.740 -7.731
359 H TYR 49 H TYR 49 39.326 9.433 -4.101
360 HA TYR 49 HA TYR 49 37.665 11.198 -3.765
361 HD1 TYR 49 HD1 TYR 49 38.619 7.378 -3.063
362 HD2 TYR 49 HD2 TYR 49 35.844 8.987 -5.857
363 HE1 TYR 49 HE1 TYR 49 39.326 5.700 -4.719
364 HE2 TYR 49 HE2 TYR 49 36.544 7.318 -7.521
365 HH TYR 49 HH TYR 49 37.598 5.127 -7.604
366 HB2 TYR 49 HB2 TYR 49 36.528 8.805 -2.394
367 HB3 TYR 49 HB3 TYR 49 35.840 9.801 -3.681
368 H SER 50 H SER 50 38.790 12.530 -2.076
369 HA SER 50 HA SER 50 37.122 13.254 -0.054
370 HG SER 50 HG SER 50 37.912 13.254 2.307
371 HB2 SER 50 HB2 SER 50 37.308 11.197 1.098
372 HB3 SER 50 HB3 SER 50 39.054 11.128 0.862
373 H LYS 51 H LYS 51 40.183 12.843 1.413
374 HA LYS 51 HA LYS 51 41.281 15.267 0.225
375 HB2 LYS 51 HB2 LYS 51 40.130 16.332 1.946
376 HB3 LYS 51 HB3 LYS 51 40.365 14.997 3.065
377 HG2 LYS 51 HG2 LYS 51 42.299 15.817 3.823
378 HG3 LYS 51 HG3 LYS 51 42.851 16.268 2.208
379 HD2 LYS 51 HD2 LYS 51 40.639 17.866 3.352
380 HD3 LYS 51 HD3 LYS 51 42.225 18.061 4.102
381 HE2 LYS 51 HE2 LYS 51 43.205 18.756 2.063
382 HE3 LYS 51 HE3 LYS 51 41.801 18.241 1.130
383 HZ1 LYS 51 HZ1 LYS 51 41.813 20.624 1.374
384 HZ2 LYS 51 HZ2 LYS 51 41.893 20.498 3.059
385 HZ3 LYS 51 HZ3 LYS 51 40.507 19.981 2.238
386 H HIS 52 H HIS 52 43.493 15.426 0.366
387 HA HIS 52 HA HIS 52 44.871 12.978 1.097
388 HD1 HIS 52 HD1 HIS 52 46.744 12.064 1.102
389 HD2 HIS 52 HD2 HIS 52 48.419 14.786 -1.555
390 HE1 HIS 52 HE1 HIS 52 49.087 11.239 0.621
391 HB2 HIS 52 HB2 HIS 52 45.294 14.238 -1.057
392 HB3 HIS 52 HB3 HIS 52 46.066 15.490 -0.083
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 30.896 8.707 10.150
2 H2 GLY 1 2H GLY 1 30.545 9.762 11.426
3 H3 GLY 1 3H GLY 1 31.018 8.170 11.749
4 HA2 GLY 1 HA2 GLY 1 32.786 10.024 10.282
5 HA3 GLY 1 HA3 GLY 1 32.750 10.007 12.040
6 H SER 2 H SER 2 33.268 7.978 13.122
7 HA SER 2 HA SER 2 35.112 6.337 11.512
8 HG SER 2 HG SER 2 36.927 7.538 12.127
9 HB2 SER 2 HB2 SER 2 35.269 7.205 14.399
10 HB3 SER 2 HB3 SER 2 36.272 5.916 13.736
11 HA PRO 3 HA PRO 3 31.957 3.322 12.849
12 HB2 PRO 3 HB2 PRO 3 32.107 1.761 10.674
13 HB3 PRO 3 HB3 PRO 3 31.233 3.299 10.648
14 HG2 PRO 3 HG2 PRO 3 33.994 2.672 9.663
15 HG3 PRO 3 HG3 PRO 3 32.718 3.621 8.878
16 HD2 PRO 3 HD2 PRO 3 34.790 4.748 10.256
17 HD3 PRO 3 HD3 PRO 3 33.195 5.504 10.102
18 HA PRO 4 HA PRO 4 34.951 0.405 14.361
19 HB2 PRO 4 HB2 PRO 4 33.272 -1.274 15.609
20 HB3 PRO 4 HB3 PRO 4 33.584 0.355 16.217
21 HG2 PRO 4 HG2 PRO 4 31.245 -0.679 14.671
22 HG3 PRO 4 HG3 PRO 4 31.279 0.471 16.019
23 HD2 PRO 4 HD2 PRO 4 31.073 1.181 13.362
24 HD3 PRO 4 HD3 PRO 4 31.678 2.247 14.644
25 H GLU 5 H GLU 5 35.933 -0.838 12.873
26 HA GLU 5 HA GLU 5 36.386 -2.818 11.804
27 HB2 GLU 5 HB2 GLU 5 35.111 -4.634 12.203
28 HB3 GLU 5 HB3 GLU 5 34.253 -3.572 13.306
29 HG2 GLU 5 HG2 GLU 5 32.461 -4.323 12.179
30 HG3 GLU 5 HG3 GLU 5 32.905 -3.044 11.049
31 H ALA 6 H ALA 6 34.121 -0.506 10.910
32 HA ALA 6 HA ALA 6 34.133 -1.450 8.121
33 HB1 ALA 6 HB1 ALA 6 32.039 -0.617 7.800
34 HB2 ALA 6 HB2 ALA 6 32.249 0.675 8.983
35 HB3 ALA 6 HB3 ALA 6 31.940 -0.974 9.524
36 H ASP 7 H ASP 7 36.199 0.187 9.609
37 HA ASP 7 HA ASP 7 36.505 2.173 7.521
38 HB2 ASP 7 HB2 ASP 7 35.421 3.655 8.900
39 HB3 ASP 7 HB3 ASP 7 35.981 2.872 10.372
40 HA PRO 8 HA PRO 8 40.700 2.172 9.932
41 HB2 PRO 8 HB2 PRO 8 40.743 0.477 12.126
42 HB3 PRO 8 HB3 PRO 8 40.544 2.229 12.199
43 HG2 PRO 8 HG2 PRO 8 38.478 0.077 12.313
44 HG3 PRO 8 HG3 PRO 8 38.565 1.600 13.219
45 HD2 PRO 8 HD2 PRO 8 36.911 1.306 11.130
46 HD3 PRO 8 HD3 PRO 8 37.739 2.846 11.443
47 H ARG 9 H ARG 9 39.473 -0.978 11.004
48 HA ARG 9 HA ARG 9 41.538 -2.515 10.027
49 HE ARG 9 HE ARG 9 38.705 -4.162 14.199
50 HB2 ARG 9 HB2 ARG 9 38.775 -3.008 10.899
51 HB3 ARG 9 HB3 ARG 9 39.418 -4.232 9.811
52 HG2 ARG 9 HG2 ARG 9 40.069 -5.109 11.805
53 HG3 ARG 9 HG3 ARG 9 41.478 -4.106 11.457
54 HD2 ARG 9 HD2 ARG 9 41.136 -2.910 13.296
55 HD3 ARG 9 HD3 ARG 9 39.489 -2.533 12.784
56 HH11 ARG 9 HH11 ARG 9 42.158 -4.482 13.862
57 HH12 ARG 9 HH12 ARG 9 42.302 -5.646 15.137
58 HH21 ARG 9 HH21 ARG 9 38.887 -5.689 15.883
59 HH22 ARG 9 HH22 ARG 9 40.444 -6.333 16.284
60 H LEU 10 H LEU 10 38.828 -1.185 8.319
61 HA LEU 10 HA LEU 10 39.146 -2.837 5.986
62 HG LEU 10 HG LEU 10 36.016 -1.935 4.806
63 HB2 LEU 10 HB2 LEU 10 36.990 -1.820 6.817
64 HB3 LEU 10 HB3 LEU 10 37.596 -0.269 6.248
65 HD11 LEU 10 HD11 LEU 10 36.496 -0.536 2.944
66 HD12 LEU 10 HD12 LEU 10 38.074 -0.108 3.603
67 HD13 LEU 10 HD13 LEU 10 36.604 0.447 4.404
68 HD21 LEU 10 HD21 LEU 10 37.208 -3.125 3.182
69 HD22 LEU 10 HD22 LEU 10 38.021 -3.526 4.694
70 HD23 LEU 10 HD23 LEU 10 38.734 -2.345 3.598
71 H ILE 11 H ILE 11 39.537 0.658 6.548
72 HA ILE 11 HA ILE 11 40.647 1.281 4.086
73 HB ILE 11 HB ILE 11 40.866 2.578 6.779
74 HG12 ILE 11 HG12 ILE 11 39.589 3.379 4.155
75 HG13 ILE 11 HG13 ILE 11 38.748 2.752 5.577
76 HG21 ILE 11 HG21 ILE 11 41.789 4.513 5.105
77 HG22 ILE 11 HG22 ILE 11 42.568 3.077 4.439
78 HG23 ILE 11 HG23 ILE 11 42.809 3.506 6.131
79 HD11 ILE 11 HD11 ILE 11 39.653 5.451 4.967
80 HD12 ILE 11 HD12 ILE 11 40.094 4.908 6.586
81 HD13 ILE 11 HD13 ILE 11 38.404 4.891 6.081
82 H GLU 12 H GLU 12 42.197 -0.178 6.878
83 HA GLU 12 HA GLU 12 44.824 0.451 6.046
84 HB2 GLU 12 HB2 GLU 12 43.736 -1.553 8.005
85 HB3 GLU 12 HB3 GLU 12 45.457 -1.414 7.677
86 HG2 GLU 12 HG2 GLU 12 44.359 1.173 8.222
87 HG3 GLU 12 HG3 GLU 12 43.930 0.050 9.510
88 H SER 13 H SER 13 42.959 -2.571 5.778
89 HA SER 13 HA SER 13 44.755 -4.221 4.638
90 HG SER 13 HG SER 13 40.810 -4.075 3.693
91 HB2 SER 13 HB2 SER 13 42.804 -4.888 3.014
92 HB3 SER 13 HB3 SER 13 42.605 -5.127 4.750
93 H LEU 14 H LEU 14 43.352 -1.351 3.201
94 HA LEU 14 HA LEU 14 44.214 -1.781 0.552
95 HG LEU 14 HG LEU 14 42.118 -0.379 -0.376
96 HB2 LEU 14 HB2 LEU 14 43.445 0.665 2.104
97 HB3 LEU 14 HB3 LEU 14 43.985 0.774 0.430
98 HD11 LEU 14 HD11 LEU 14 41.336 -1.151 2.425
99 HD12 LEU 14 HD12 LEU 14 42.266 -2.196 1.351
100 HD13 LEU 14 HD13 LEU 14 40.629 -1.708 0.909
101 HD21 LEU 14 HD21 LEU 14 41.785 1.929 0.816
102 HD22 LEU 14 HD22 LEU 14 40.776 0.976 1.905
103 HD23 LEU 14 HD23 LEU 14 40.417 1.026 0.177
104 H SER 15 H SER 15 45.847 -0.445 3.322
105 HA SER 15 HA SER 15 47.822 1.086 2.408
106 HG SER 15 HG SER 15 49.615 1.033 4.844
107 HB2 SER 15 HB2 SER 15 47.503 -0.621 4.654
108 HB3 SER 15 HB3 SER 15 49.143 -0.841 4.046
109 H GLN 16 H GLN 16 47.434 -2.246 1.597
110 HA GLN 16 HA GLN 16 50.090 -2.657 0.598
111 HB2 GLN 16 HB2 GLN 16 48.837 -4.633 -0.609
112 HB3 GLN 16 HB3 GLN 16 49.144 -4.685 1.121
113 HG2 GLN 16 HG2 GLN 16 46.977 -4.635 1.629
114 HG3 GLN 16 HG3 GLN 16 46.617 -3.410 0.414
115 HE21 GLN 16 HE21 GLN 16 44.716 -5.088 0.577
116 HE22 GLN 16 HE22 GLN 16 44.739 -6.304 -0.658
117 H MET 17 H MET 17 47.001 -1.691 -0.806
118 HA MET 17 HA MET 17 48.136 -1.635 -3.485
119 HB2 MET 17 HB2 MET 17 45.943 -2.415 -3.556
120 HB3 MET 17 HB3 MET 17 45.391 -1.270 -2.340
121 HG2 MET 17 HG2 MET 17 44.614 -0.871 -4.707
122 HG3 MET 17 HG3 MET 17 45.340 0.507 -3.871
123 HE1 MET 17 HE1 MET 17 45.912 -1.994 -7.083
124 HE2 MET 17 HE2 MET 17 46.521 -2.654 -5.566
125 HE3 MET 17 HE3 MET 17 47.650 -2.134 -6.817
126 H LEU 18 H LEU 18 46.398 0.699 -1.405
127 HA LEU 18 HA LEU 18 46.768 2.990 -2.817
128 HG LEU 18 HG LEU 18 46.982 5.124 -1.411
129 HB2 LEU 18 HB2 LEU 18 45.533 3.010 -0.759
130 HB3 LEU 18 HB3 LEU 18 46.972 2.591 0.166
131 HD11 LEU 18 HD11 LEU 18 44.832 4.734 0.096
132 HD12 LEU 18 HD12 LEU 18 45.636 6.300 -0.019
133 HD13 LEU 18 HD13 LEU 18 45.952 5.246 1.360
134 HD21 LEU 18 HD21 LEU 18 48.532 3.856 0.678
135 HD22 LEU 18 HD22 LEU 18 48.044 5.492 1.123
136 HD23 LEU 18 HD23 LEU 18 48.945 5.214 -0.369
137 H SER 19 H SER 19 48.930 2.173 -0.145
138 HA SER 19 HA SER 19 50.940 3.891 -0.445
139 HG SER 19 HG SER 19 51.135 2.957 1.908
140 HB2 SER 19 HB2 SER 19 51.348 0.919 -0.046
141 HB3 SER 19 HB3 SER 19 52.525 2.173 0.346
142 H MET 20 H MET 20 50.230 1.332 -2.735
143 HA MET 20 HA MET 20 52.701 1.488 -4.136
144 HB2 MET 20 HB2 MET 20 50.326 -0.080 -4.269
145 HB3 MET 20 HB3 MET 20 50.659 0.555 -5.873
146 HG2 MET 20 HG2 MET 20 52.405 -0.796 -6.167
147 HG3 MET 20 HG3 MET 20 53.022 -0.496 -4.537
148 HE1 MET 20 HE1 MET 20 51.952 -3.354 -6.744
149 HE2 MET 20 HE2 MET 20 52.416 -4.451 -5.443
150 HE3 MET 20 HE3 MET 20 53.462 -3.097 -5.871
151 H GLY 21 H GLY 21 49.771 3.355 -4.262
152 HA2 GLY 21 HA2 GLY 21 49.893 5.556 -5.259
153 HA3 GLY 21 HA3 GLY 21 50.956 4.885 -6.486
154 H PHE 22 H PHE 22 47.768 3.809 -5.236
155 HA PHE 22 HA PHE 22 46.242 4.646 -7.411
156 HD1 PHE 22 HD2 PHE 22 44.916 3.864 -9.572
157 HD2 PHE 22 HD1 PHE 22 46.350 0.140 -8.090
158 HE1 PHE 22 HE2 PHE 22 42.982 2.723 -10.581
159 HE2 PHE 22 HE1 PHE 22 44.419 -1.008 -9.098
160 HZ PHE 22 HZ PHE 22 42.731 0.283 -10.342
161 HB2 PHE 22 HB2 PHE 22 47.432 3.339 -8.937
162 HB3 PHE 22 HB3 PHE 22 47.628 2.012 -7.798
163 H SER 23 H SER 23 44.086 3.964 -7.295
164 HA SER 23 HA SER 23 43.432 2.371 -4.908
165 HG SER 23 HG SER 23 43.039 5.806 -5.595
166 HB2 SER 23 HB2 SER 23 41.612 4.385 -6.205
167 HB3 SER 23 HB3 SER 23 41.543 3.737 -4.563
168 H ASP 24 H ASP 24 41.133 1.509 -5.027
169 HA ASP 24 HA ASP 24 40.922 -0.247 -7.266
170 HB2 ASP 24 HB2 ASP 24 40.187 -0.859 -4.961
171 HB3 ASP 24 HB3 ASP 24 38.872 0.314 -5.106
172 H GLU 25 H GLU 25 39.913 0.109 -9.139
173 HA GLU 25 HA GLU 25 37.594 1.810 -9.320
174 HB2 GLU 25 HB2 GLU 25 40.243 2.816 -9.993
175 HB3 GLU 25 HB3 GLU 25 39.140 2.894 -11.360
176 HG2 GLU 25 HG2 GLU 25 37.676 3.845 -9.189
177 HG3 GLU 25 HG3 GLU 25 39.281 4.553 -9.018
178 H GLY 26 H GLY 26 36.451 0.158 -10.226
179 HA2 GLY 26 HA2 GLY 26 35.869 -0.369 -12.640
180 HA3 GLY 26 HA3 GLY 26 37.516 -0.997 -12.730
181 H GLY 27 H GLY 27 37.868 -2.478 -10.559
182 HA2 GLY 27 HA2 GLY 27 36.283 -4.043 -9.245
183 HA3 GLY 27 HA3 GLY 27 35.816 -4.566 -10.856
184 H TRP 28 H TRP 28 38.383 -4.520 -8.479
185 HA TRP 28 HA TRP 28 39.425 -6.998 -9.526
186 HD1 TRP 28 HD1 TRP 28 40.701 -2.671 -10.440
187 HE1 TRP 28 HE1 TRP 28 42.072 -1.165 -8.869
188 HE3 TRP 28 HE3 TRP 28 42.761 -6.272 -7.447
189 HZ2 TRP 28 HZ2 TRP 28 43.797 -1.459 -6.660
190 HZ3 TRP 28 HZ3 TRP 28 44.261 -5.571 -5.628
191 HH2 TRP 28 HH2 TRP 28 44.767 -3.214 -5.243
192 HB2 TRP 28 HB2 TRP 28 41.674 -6.255 -9.931
193 HB3 TRP 28 HB3 TRP 28 40.587 -5.226 -10.870
194 H LEU 29 H LEU 29 39.699 -4.353 -7.211
195 HA LEU 29 HA LEU 29 41.027 -6.111 -5.295
196 HG LEU 29 HG LEU 29 42.919 -4.588 -4.134
197 HB2 LEU 29 HB2 LEU 29 41.611 -3.610 -5.824
198 HB3 LEU 29 HB3 LEU 29 40.283 -3.271 -4.718
199 HD11 LEU 29 HD11 LEU 29 41.552 -2.078 -3.469
200 HD12 LEU 29 HD12 LEU 29 43.274 -2.447 -3.567
201 HD13 LEU 29 HD13 LEU 29 42.363 -2.869 -2.117
202 HD21 LEU 29 HD21 LEU 29 41.386 -6.076 -3.111
203 HD22 LEU 29 HD22 LEU 29 40.378 -4.748 -2.535
204 HD23 LEU 29 HD23 LEU 29 41.977 -5.008 -1.838
205 H THR 30 H THR 30 37.959 -4.578 -5.914
206 HA THR 30 HA THR 30 36.724 -4.580 -3.472
207 HB THR 30 HB THR 30 35.525 -5.416 -6.118
208 HG1 THR 30 HG1 THR 30 34.956 -3.239 -6.249
209 HG21 THR 30 HG21 THR 30 34.154 -5.929 -4.035
210 HG22 THR 30 HG22 THR 30 33.397 -4.956 -5.295
211 HG23 THR 30 HG23 THR 30 34.027 -4.180 -3.841
212 H ARG 31 H ARG 31 36.238 -7.273 -5.756
213 HA ARG 31 HA ARG 31 35.044 -9.109 -4.236
214 HE ARG 31 HE ARG 31 33.072 -11.318 -4.029
215 HB2 ARG 31 HB2 ARG 31 36.728 -9.204 -6.531
216 HB3 ARG 31 HB3 ARG 31 37.170 -10.539 -5.477
217 HG2 ARG 31 HG2 ARG 31 34.363 -9.950 -6.384
218 HG3 ARG 31 HG3 ARG 31 35.444 -11.111 -7.159
219 HD2 ARG 31 HD2 ARG 31 34.986 -12.666 -5.632
220 HD3 ARG 31 HD3 ARG 31 35.321 -11.545 -4.308
221 HH11 ARG 31 HH11 ARG 31 33.677 -12.400 -7.281
222 HH12 ARG 31 HH12 ARG 31 32.000 -12.574 -7.677
223 HH21 ARG 31 HH21 ARG 31 30.860 -11.536 -4.536
224 HH22 ARG 31 HH22 ARG 31 30.394 -12.078 -6.114
225 H LEU 32 H LEU 32 38.521 -8.438 -4.101
226 HA LEU 32 HA LEU 32 39.168 -10.398 -2.184
227 HG LEU 32 HG LEU 32 42.558 -9.110 -1.915
228 HB2 LEU 32 HB2 LEU 32 40.927 -9.421 -3.463
229 HB3 LEU 32 HB3 LEU 32 40.484 -7.803 -2.954
230 HD11 LEU 32 HD11 LEU 32 40.991 -6.868 -1.215
231 HD12 LEU 32 HD12 LEU 32 42.671 -7.202 -0.790
232 HD13 LEU 32 HD13 LEU 32 41.369 -7.728 0.277
233 HD21 LEU 32 HD21 LEU 32 42.145 -10.490 -0.175
234 HD22 LEU 32 HD22 LEU 32 40.647 -10.780 -1.058
235 HD23 LEU 32 HD23 LEU 32 40.668 -9.645 0.292
236 H LEU 33 H LEU 33 38.934 -6.882 -1.706
237 HA LEU 33 HA LEU 33 38.915 -7.015 1.097
238 HG LEU 33 HG LEU 33 36.893 -5.074 -1.341
239 HB2 LEU 33 HB2 LEU 33 38.637 -4.730 1.076
240 HB3 LEU 33 HB3 LEU 33 39.360 -5.026 -0.496
241 HD11 LEU 33 HD11 LEU 33 36.284 -3.093 0.729
242 HD12 LEU 33 HD12 LEU 33 36.333 -4.762 1.300
243 HD13 LEU 33 HD13 LEU 33 35.253 -4.312 -0.018
244 HD21 LEU 33 HD21 LEU 33 37.834 -3.295 -2.303
245 HD22 LEU 33 HD22 LEU 33 38.809 -2.942 -0.877
246 HD23 LEU 33 HD23 LEU 33 37.152 -2.349 -0.981
247 H GLN 34 H GLN 34 36.271 -7.016 -1.258
248 HA GLN 34 HA GLN 34 34.045 -6.474 0.066
249 HB2 GLN 34 HB2 GLN 34 33.876 -7.371 -2.124
250 HB3 GLN 34 HB3 GLN 34 34.594 -8.899 -1.635
251 HG2 GLN 34 HG2 GLN 34 32.279 -9.276 -1.938
252 HG3 GLN 34 HG3 GLN 34 32.581 -9.281 -0.194
253 HE21 GLN 34 HE21 GLN 34 32.399 -6.990 0.775
254 HE22 GLN 34 HE22 GLN 34 30.974 -6.106 0.315
255 H THR 35 H THR 35 35.226 -9.803 0.177
256 HA THR 35 HA THR 35 33.759 -11.024 1.969
257 HB THR 35 HB THR 35 36.706 -11.172 2.469
258 HG1 THR 35 HG1 THR 35 35.339 -11.746 0.090
259 HG21 THR 35 HG21 THR 35 34.519 -12.817 3.102
260 HG22 THR 35 HG22 THR 35 36.235 -13.139 3.349
261 HG23 THR 35 HG23 THR 35 35.446 -13.651 1.857
262 H LYS 36 H LYS 36 35.772 -8.298 2.897
263 HA LYS 36 HA LYS 36 35.781 -8.820 5.681
264 HB2 LYS 36 HB2 LYS 36 36.151 -6.325 4.046
265 HB3 LYS 36 HB3 LYS 36 36.183 -6.291 5.806
266 HG2 LYS 36 HG2 LYS 36 38.390 -6.432 4.500
267 HG3 LYS 36 HG3 LYS 36 38.165 -7.454 5.924
268 HD2 LYS 36 HD2 LYS 36 37.362 -9.252 4.298
269 HD3 LYS 36 HD3 LYS 36 38.033 -8.233 3.022
270 HE2 LYS 36 HE2 LYS 36 39.650 -9.093 5.405
271 HE3 LYS 36 HE3 LYS 36 39.518 -10.091 3.957
272 HZ1 LYS 36 HZ1 LYS 36 40.195 -7.833 2.822
273 HZ2 LYS 36 HZ2 LYS 36 41.359 -8.894 3.440
274 HZ3 LYS 36 HZ3 LYS 36 40.891 -7.538 4.336
275 H ASN 37 H ASN 37 33.430 -7.586 3.524
276 HA ASN 37 HA ASN 37 31.118 -7.571 4.058
277 HB2 ASN 37 HB2 ASN 37 31.942 -6.526 6.778
278 HB3 ASN 37 HB3 ASN 37 30.301 -6.910 6.251
279 HD21 ASN 37 HD21 ASN 37 30.807 -9.289 4.893
280 HD22 ASN 37 HD22 ASN 37 31.276 -10.497 6.052
281 H TYR 38 H TYR 38 32.253 -5.966 2.452
282 HA TYR 38 HA TYR 38 30.758 -3.744 2.396
283 HD1 TYR 38 HD1 TYR 38 34.858 -3.833 2.936
284 HD2 TYR 38 HD2 TYR 38 32.203 -2.907 6.127
285 HE1 TYR 38 HE1 TYR 38 36.537 -4.601 4.555
286 HE2 TYR 38 HE2 TYR 38 33.877 -3.673 7.754
287 HH TYR 38 HH TYR 38 37.102 -4.693 6.728
288 HB2 TYR 38 HB2 TYR 38 32.859 -2.068 2.817
289 HB3 TYR 38 HB3 TYR 38 31.578 -2.376 3.978
290 H ASP 39 H ASP 39 32.009 -1.874 1.002
291 HA ASP 39 HA ASP 39 33.564 -3.317 -1.023
292 HB2 ASP 39 HB2 ASP 39 32.145 -1.622 -2.589
293 HB3 ASP 39 HB3 ASP 39 31.673 -3.292 -2.270
294 H ILE 40 H ILE 40 34.735 -1.919 -2.492
295 HA ILE 40 HA ILE 40 36.586 -0.335 -1.594
296 HB ILE 40 HB ILE 40 36.552 0.971 -3.718
297 HG12 ILE 40 HG12 ILE 40 34.192 -0.710 -4.528
298 HG13 ILE 40 HG13 ILE 40 33.951 0.869 -3.773
299 HG21 ILE 40 HG21 ILE 40 36.415 -1.328 -5.110
300 HG22 ILE 40 HG22 ILE 40 36.507 -1.965 -3.467
301 HG23 ILE 40 HG23 ILE 40 37.773 -0.895 -4.072
302 HD11 ILE 40 HD11 ILE 40 35.591 0.429 -6.256
303 HD12 ILE 40 HD12 ILE 40 35.079 1.967 -5.562
304 HD13 ILE 40 HD13 ILE 40 33.885 0.874 -6.260
305 H GLY 41 H GLY 41 33.239 0.791 -1.934
306 HA2 GLY 41 HA2 GLY 41 33.714 3.531 -1.519
307 HA3 GLY 41 HA3 GLY 41 32.209 2.685 -1.155
308 H ALA 42 H ALA 42 34.295 0.975 0.551
309 HA ALA 42 HA ALA 42 33.962 2.589 2.977
310 HB1 ALA 42 HB1 ALA 42 34.673 0.219 3.966
311 HB2 ALA 42 HB2 ALA 42 34.018 -0.337 2.425
312 HB3 ALA 42 HB3 ALA 42 33.002 0.585 3.535
313 H ALA 43 H ALA 43 36.222 0.742 1.037
314 HA ALA 43 HA ALA 43 38.463 1.489 2.747
315 HB1 ALA 43 HB1 ALA 43 37.885 -0.817 1.477
316 HB2 ALA 43 HB2 ALA 43 39.514 -0.338 1.947
317 HB3 ALA 43 HB3 ALA 43 38.953 -0.065 0.296
318 H LEU 44 H LEU 44 37.658 1.622 -0.719
319 HA LEU 44 HA LEU 44 39.745 3.027 -1.723
320 HG LEU 44 HG LEU 44 39.271 2.589 -4.134
321 HB2 LEU 44 HB2 LEU 44 37.339 2.273 -2.680
322 HB3 LEU 44 HB3 LEU 44 37.100 4.015 -2.594
323 HD11 LEU 44 HD11 LEU 44 38.001 3.914 -6.001
324 HD12 LEU 44 HD12 LEU 44 36.659 3.823 -4.860
325 HD13 LEU 44 HD13 LEU 44 37.413 2.343 -5.456
326 HD21 LEU 44 HD21 LEU 44 39.718 4.906 -5.003
327 HD22 LEU 44 HD22 LEU 44 40.195 4.620 -3.330
328 HD23 LEU 44 HD23 LEU 44 38.715 5.509 -3.685
329 H ASP 45 H ASP 45 37.263 4.244 0.380
330 HA ASP 45 HA ASP 45 37.315 6.946 -0.031
331 HB2 ASP 45 HB2 ASP 45 36.882 5.218 2.340
332 HB3 ASP 45 HB3 ASP 45 37.187 6.923 2.656
333 H THR 46 H THR 46 39.898 4.972 1.149
334 HA THR 46 HA THR 46 41.343 7.283 2.192
335 HB THR 46 HB THR 46 41.332 5.081 3.397
336 HG1 THR 46 HG1 THR 46 43.342 6.749 2.984
337 HG21 THR 46 HG21 THR 46 43.157 4.240 1.162
338 HG22 THR 46 HG22 THR 46 41.543 3.604 1.479
339 HG23 THR 46 HG23 THR 46 42.840 3.338 2.643
340 H ILE 47 H ILE 47 41.845 4.780 -0.277
341 HA ILE 47 HA ILE 47 44.238 5.910 -1.311
342 HB ILE 47 HB ILE 47 42.464 4.306 -3.070
343 HG12 ILE 47 HG12 ILE 47 43.656 3.350 -0.481
344 HG13 ILE 47 HG13 ILE 47 42.027 3.096 -1.102
345 HG21 ILE 47 HG21 ILE 47 44.574 3.232 -3.647
346 HG22 ILE 47 HG22 ILE 47 45.391 4.145 -2.380
347 HG23 ILE 47 HG23 ILE 47 44.718 4.984 -3.773
348 HD11 ILE 47 HD11 ILE 47 42.833 1.051 -1.558
349 HD12 ILE 47 HD12 ILE 47 44.507 1.604 -1.611
350 HD13 ILE 47 HD13 ILE 47 43.453 1.848 -3.004
351 H GLN 48 H GLN 48 41.238 7.220 -1.299
352 HA GLN 48 HA GLN 48 41.627 8.510 -3.922
353 HB2 GLN 48 HB2 GLN 48 39.464 7.172 -3.360
354 HB3 GLN 48 HB3 GLN 48 39.024 8.610 -2.446
355 HG2 GLN 48 HG2 GLN 48 38.113 9.253 -4.387
356 HG3 GLN 48 HG3 GLN 48 39.764 9.730 -4.780
357 HE21 GLN 48 HE21 GLN 48 40.633 6.916 -4.946
358 HE22 GLN 48 HE22 GLN 48 40.031 6.336 -6.465
359 H TYR 49 H TYR 49 42.233 10.553 -3.925
360 HA TYR 49 HA TYR 49 41.243 12.455 -2.022
361 HD1 TYR 49 HD2 TYR 49 43.132 9.529 -0.627
362 HD2 TYR 49 HD1 TYR 49 45.643 12.163 -2.835
363 HE1 TYR 49 HE2 TYR 49 44.737 7.698 -0.976
364 HE2 TYR 49 HE1 TYR 49 47.254 10.337 -3.190
365 HH TYR 49 HH TYR 49 46.970 7.292 -1.545
366 HB2 TYR 49 HB2 TYR 49 43.830 13.035 -1.548
367 HB3 TYR 49 HB3 TYR 49 42.866 11.990 -0.497
368 H SER 50 H SER 50 40.987 12.385 -4.756
369 HA SER 50 HA SER 50 42.932 13.729 -6.240
370 HG SER 50 HG SER 50 39.507 12.491 -6.228
371 HB2 SER 50 HB2 SER 50 40.884 14.465 -7.649
372 HB3 SER 50 HB3 SER 50 41.220 12.739 -7.504
373 H LYS 51 H LYS 51 39.875 15.196 -5.131
374 HA LYS 51 HA LYS 51 41.095 17.825 -5.212
375 HB2 LYS 51 HB2 LYS 51 38.632 17.063 -5.861
376 HB3 LYS 51 HB3 LYS 51 38.339 17.385 -4.158
377 HG2 LYS 51 HG2 LYS 51 37.918 19.465 -4.864
378 HG3 LYS 51 HG3 LYS 51 39.676 19.627 -4.876
379 HD2 LYS 51 HD2 LYS 51 38.568 18.440 -7.312
380 HD3 LYS 51 HD3 LYS 51 38.032 20.094 -7.010
381 HE2 LYS 51 HE2 LYS 51 40.483 20.650 -6.625
382 HE3 LYS 51 HE3 LYS 51 40.841 19.071 -7.323
383 HZ1 LYS 51 HZ1 LYS 51 40.943 20.837 -8.977
384 HZ2 LYS 51 HZ2 LYS 51 39.329 21.240 -8.674
385 HZ3 LYS 51 HZ3 LYS 51 39.711 19.735 -9.343
386 H HIS 52 H HIS 52 42.320 18.404 -3.535
387 HA HIS 52 HA HIS 52 41.180 18.406 -0.885
388 HD1 HIS 52 HD1 HIS 52 42.283 16.627 1.879
389 HD2 HIS 52 HD2 HIS 52 40.880 14.904 -1.630
390 HE1 HIS 52 HE1 HIS 52 40.594 14.879 2.573
391 HB2 HIS 52 HB2 HIS 52 43.266 16.471 -1.678
392 HB3 HIS 52 HB3 HIS 52 43.584 17.353 -0.183
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 33.022 5.794 3.436
2 H2 GLY 1 2H GLY 1 33.939 7.094 2.863
3 H3 GLY 1 3H GLY 1 32.253 7.127 2.731
4 HA2 GLY 1 HA2 GLY 1 33.384 8.471 4.598
5 HA3 GLY 1 HA3 GLY 1 31.917 7.568 4.940
6 H SER 2 H SER 2 32.604 7.597 7.163
7 HA SER 2 HA SER 2 35.011 6.370 8.011
8 HG SER 2 HG SER 2 34.398 8.503 8.697
9 HB2 SER 2 HB2 SER 2 32.445 6.800 9.558
10 HB3 SER 2 HB3 SER 2 34.026 6.443 10.254
11 HA PRO 3 HA PRO 3 34.073 2.073 7.816
12 HB2 PRO 3 HB2 PRO 3 35.504 1.630 10.325
13 HB3 PRO 3 HB3 PRO 3 35.951 1.148 8.688
14 HG2 PRO 3 HG2 PRO 3 37.266 3.080 10.062
15 HG3 PRO 3 HG3 PRO 3 37.120 3.085 8.296
16 HD2 PRO 3 HD2 PRO 3 35.607 4.664 10.334
17 HD3 PRO 3 HD3 PRO 3 36.208 5.161 8.740
18 HA PRO 4 HA PRO 4 30.823 0.975 10.546
19 HB2 PRO 4 HB2 PRO 4 31.784 -1.757 10.921
20 HB3 PRO 4 HB3 PRO 4 30.368 -1.189 10.032
21 HG2 PRO 4 HG2 PRO 4 32.542 -2.205 8.792
22 HG3 PRO 4 HG3 PRO 4 31.532 -0.939 8.071
23 HD2 PRO 4 HD2 PRO 4 34.173 -0.687 9.464
24 HD3 PRO 4 HD3 PRO 4 33.597 0.121 7.989
25 H GLU 5 H GLU 5 33.937 0.950 11.626
26 HA GLU 5 HA GLU 5 33.378 1.577 14.233
27 HB2 GLU 5 HB2 GLU 5 33.107 -1.234 13.761
28 HB3 GLU 5 HB3 GLU 5 34.438 -0.947 14.873
29 HG2 GLU 5 HG2 GLU 5 32.920 0.403 16.280
30 HG3 GLU 5 HG3 GLU 5 31.595 -0.014 15.195
31 H ALA 6 H ALA 6 35.682 -0.592 12.636
32 HA ALA 6 HA ALA 6 37.830 1.084 13.745
33 HB1 ALA 6 HB1 ALA 6 38.652 -1.548 12.823
34 HB2 ALA 6 HB2 ALA 6 37.424 -1.615 14.088
35 HB3 ALA 6 HB3 ALA 6 38.934 -0.748 14.369
36 H ASP 7 H ASP 7 38.995 2.212 12.375
37 HA ASP 7 HA ASP 7 38.655 1.986 9.549
38 HB2 ASP 7 HB2 ASP 7 40.836 3.563 10.896
39 HB3 ASP 7 HB3 ASP 7 40.000 3.914 9.386
40 HA PRO 8 HA PRO 8 43.393 0.444 10.246
41 HB2 PRO 8 HB2 PRO 8 42.407 -1.506 12.291
42 HB3 PRO 8 HB3 PRO 8 44.001 -0.757 12.129
43 HG2 PRO 8 HG2 PRO 8 42.268 0.120 13.950
44 HG3 PRO 8 HG3 PRO 8 43.297 1.250 13.053
45 HD2 PRO 8 HD2 PRO 8 40.387 0.703 12.768
46 HD3 PRO 8 HD3 PRO 8 41.293 2.201 12.467
47 H ARG 9 H ARG 9 40.838 -1.917 11.071
48 HA ARG 9 HA ARG 9 41.659 -3.985 9.453
49 HE ARG 9 HE ARG 9 36.672 -5.210 10.546
50 HB2 ARG 9 HB2 ARG 9 39.431 -3.429 11.033
51 HB3 ARG 9 HB3 ARG 9 38.761 -3.727 9.436
52 HG2 ARG 9 HG2 ARG 9 40.549 -5.780 9.707
53 HG3 ARG 9 HG3 ARG 9 39.940 -5.580 11.351
54 HD2 ARG 9 HD2 ARG 9 38.168 -5.825 8.925
55 HD3 ARG 9 HD3 ARG 9 38.651 -7.196 9.928
56 HH11 ARG 9 HH11 ARG 9 38.943 -7.480 11.890
57 HH12 ARG 9 HH12 ARG 9 38.080 -7.662 13.381
58 HH21 ARG 9 HH21 ARG 9 35.521 -5.443 12.505
59 HH22 ARG 9 HH22 ARG 9 36.132 -6.505 13.730
60 H LEU 10 H LEU 10 40.188 -1.014 8.560
61 HA LEU 10 HA LEU 10 39.665 -1.966 5.842
62 HG LEU 10 HG LEU 10 36.883 -1.273 6.182
63 HB2 LEU 10 HB2 LEU 10 38.356 -0.120 7.529
64 HB3 LEU 10 HB3 LEU 10 39.020 0.806 6.186
65 HD11 LEU 10 HD11 LEU 10 35.666 0.298 5.076
66 HD12 LEU 10 HD12 LEU 10 37.083 1.038 4.329
67 HD13 LEU 10 HD13 LEU 10 36.724 1.337 6.031
68 HD21 LEU 10 HD21 LEU 10 37.846 -2.391 4.498
69 HD22 LEU 10 HD22 LEU 10 39.053 -1.132 4.231
70 HD23 LEU 10 HD23 LEU 10 37.447 -0.979 3.520
71 H ILE 11 H ILE 11 41.231 0.828 7.407
72 HA ILE 11 HA ILE 11 42.463 1.867 5.138
73 HB ILE 11 HB ILE 11 43.398 1.988 8.006
74 HG12 ILE 11 HG12 ILE 11 41.375 3.106 8.022
75 HG13 ILE 11 HG13 ILE 11 42.471 4.421 7.586
76 HG21 ILE 11 HG21 ILE 11 44.665 4.001 7.238
77 HG22 ILE 11 HG22 ILE 11 44.303 3.525 5.579
78 HG23 ILE 11 HG23 ILE 11 45.273 2.470 6.606
79 HD11 ILE 11 HD11 ILE 11 41.893 4.075 5.222
80 HD12 ILE 11 HD12 ILE 11 40.495 4.493 6.214
81 HD13 ILE 11 HD13 ILE 11 40.749 2.824 5.704
82 H GLU 12 H GLU 12 43.641 -0.574 7.421
83 HA GLU 12 HA GLU 12 46.233 -0.732 6.351
84 HB2 GLU 12 HB2 GLU 12 44.599 -2.716 7.926
85 HB3 GLU 12 HB3 GLU 12 46.260 -3.032 7.443
86 HG2 GLU 12 HG2 GLU 12 45.886 -0.466 8.790
87 HG3 GLU 12 HG3 GLU 12 45.485 -1.868 9.781
88 H SER 13 H SER 13 43.444 -2.866 5.802
89 HA SER 13 HA SER 13 44.452 -4.615 4.018
90 HG SER 13 HG SER 13 41.382 -4.383 5.428
91 HB2 SER 13 HB2 SER 13 41.814 -3.143 3.795
92 HB3 SER 13 HB3 SER 13 42.231 -4.577 2.856
93 H LEU 14 H LEU 14 44.036 -1.170 3.531
94 HA LEU 14 HA LEU 14 44.358 -1.273 0.685
95 HG LEU 14 HG LEU 14 42.668 1.759 0.817
96 HB2 LEU 14 HB2 LEU 14 44.376 0.925 2.731
97 HB3 LEU 14 HB3 LEU 14 44.846 1.246 1.066
98 HD11 LEU 14 HD11 LEU 14 42.225 -1.214 0.913
99 HD12 LEU 14 HD12 LEU 14 43.003 -0.384 -0.433
100 HD13 LEU 14 HD13 LEU 14 41.329 -0.015 -0.020
101 HD21 LEU 14 HD21 LEU 14 41.281 -0.036 2.605
102 HD22 LEU 14 HD22 LEU 14 41.274 1.727 2.548
103 HD23 LEU 14 HD23 LEU 14 42.531 0.878 3.449
104 H SER 15 H SER 15 46.491 -0.728 3.433
105 HA SER 15 HA SER 15 48.757 0.249 2.376
106 HG SER 15 HG SER 15 48.006 0.163 5.012
107 HB2 SER 15 HB2 SER 15 48.371 -1.992 4.337
108 HB3 SER 15 HB3 SER 15 49.994 -1.502 3.855
109 H GLN 16 H GLN 16 47.349 -2.808 1.681
110 HA GLN 16 HA GLN 16 49.501 -4.115 0.452
111 HB2 GLN 16 HB2 GLN 16 47.630 -5.449 0.933
112 HB3 GLN 16 HB3 GLN 16 46.515 -4.325 0.170
113 HG2 GLN 16 HG2 GLN 16 48.447 -5.324 -1.723
114 HG3 GLN 16 HG3 GLN 16 47.584 -6.640 -0.927
115 HE21 GLN 16 HE21 GLN 16 45.130 -5.398 -0.509
116 HE22 GLN 16 HE22 GLN 16 44.375 -5.125 -2.045
117 H MET 17 H MET 17 46.754 -2.515 -1.190
118 HA MET 17 HA MET 17 48.177 -2.361 -3.670
119 HB2 MET 17 HB2 MET 17 45.802 -2.566 -3.790
120 HB3 MET 17 HB3 MET 17 45.564 -1.182 -2.732
121 HG2 MET 17 HG2 MET 17 45.228 -0.963 -5.309
122 HG3 MET 17 HG3 MET 17 45.980 0.338 -4.386
123 HE1 MET 17 HE1 MET 17 46.787 -3.025 -5.646
124 HE2 MET 17 HE2 MET 17 48.530 -2.943 -5.899
125 HE3 MET 17 HE3 MET 17 47.429 -2.651 -7.246
126 H LEU 18 H LEU 18 47.173 0.013 -1.223
127 HA LEU 18 HA LEU 18 47.843 2.393 -2.137
128 HG LEU 18 HG LEU 18 48.407 3.916 0.922
129 HB2 LEU 18 HB2 LEU 18 47.589 1.280 0.369
130 HB3 LEU 18 HB3 LEU 18 49.225 1.920 0.404
131 HD11 LEU 18 HD11 LEU 18 47.305 5.291 -0.648
132 HD12 LEU 18 HD12 LEU 18 46.621 3.904 -1.494
133 HD13 LEU 18 HD13 LEU 18 48.355 4.223 -1.579
134 HD21 LEU 18 HD21 LEU 18 46.536 2.514 1.840
135 HD22 LEU 18 HD22 LEU 18 45.615 2.948 0.401
136 HD23 LEU 18 HD23 LEU 18 46.145 4.204 1.521
137 H SER 19 H SER 19 50.143 -0.143 -1.615
138 HA SER 19 HA SER 19 52.549 1.120 -1.421
139 HG SER 19 HG SER 19 53.158 -0.961 -4.144
140 HB2 SER 19 HB2 SER 19 53.491 -0.891 -1.969
141 HB3 SER 19 HB3 SER 19 51.833 -1.430 -1.693
142 H MET 20 H MET 20 50.378 1.344 -4.043
143 HA MET 20 HA MET 20 52.471 2.567 -5.713
144 HB2 MET 20 HB2 MET 20 50.989 0.478 -6.497
145 HB3 MET 20 HB3 MET 20 49.858 1.761 -6.902
146 HG2 MET 20 HG2 MET 20 51.097 1.305 -8.852
147 HG3 MET 20 HG3 MET 20 51.711 2.836 -8.214
148 HE1 MET 20 HE1 MET 20 52.970 -0.722 -6.511
149 HE2 MET 20 HE2 MET 20 53.734 -1.256 -8.009
150 HE3 MET 20 HE3 MET 20 52.006 -0.900 -7.977
151 H GLY 21 H GLY 21 49.210 2.727 -4.471
152 HA2 GLY 21 HA2 GLY 21 48.225 4.757 -3.663
153 HA3 GLY 21 HA3 GLY 21 49.254 5.657 -4.770
154 H PHE 22 H PHE 22 47.081 2.885 -5.271
155 HA PHE 22 HA PHE 22 45.378 4.567 -6.966
156 HD1 PHE 22 HD2 PHE 22 44.422 4.461 -9.419
157 HD2 PHE 22 HD1 PHE 22 45.812 0.472 -8.908
158 HE1 PHE 22 HE2 PHE 22 42.695 3.664 -10.979
159 HE2 PHE 22 HE1 PHE 22 44.088 -0.334 -10.467
160 HZ PHE 22 HZ PHE 22 42.525 1.264 -11.505
161 HB2 PHE 22 HB2 PHE 22 46.854 3.783 -8.618
162 HB3 PHE 22 HB3 PHE 22 46.955 2.183 -7.896
163 H SER 23 H SER 23 43.284 3.872 -7.208
164 HA SER 23 HA SER 23 42.455 1.727 -5.392
165 HG SER 23 HG SER 23 41.187 5.017 -4.905
166 HB2 SER 23 HB2 SER 23 40.315 3.304 -6.613
167 HB3 SER 23 HB3 SER 23 40.645 2.983 -4.906
168 H ASP 24 H ASP 24 40.459 0.480 -6.163
169 HA ASP 24 HA ASP 24 41.015 -0.408 -8.899
170 HB2 ASP 24 HB2 ASP 24 41.148 -2.247 -7.483
171 HB3 ASP 24 HB3 ASP 24 39.807 -1.697 -6.478
172 H GLU 25 H GLU 25 39.837 0.801 -10.288
173 HA GLU 25 HA GLU 25 37.205 1.712 -9.784
174 HB2 GLU 25 HB2 GLU 25 38.143 3.052 -11.359
175 HB3 GLU 25 HB3 GLU 25 39.134 1.761 -12.018
176 HG2 GLU 25 HG2 GLU 25 37.699 2.338 -13.750
177 HG3 GLU 25 HG3 GLU 25 36.984 0.878 -13.071
178 H GLY 26 H GLY 26 38.481 -0.924 -11.818
179 HA2 GLY 26 HA2 GLY 26 35.959 -1.821 -12.727
180 HA3 GLY 26 HA3 GLY 26 37.450 -2.763 -12.734
181 H GLY 27 H GLY 27 38.099 -3.589 -10.494
182 HA2 GLY 27 HA2 GLY 27 36.557 -3.899 -8.304
183 HA3 GLY 27 HA3 GLY 27 35.804 -5.007 -9.433
184 H TRP 28 H TRP 28 39.255 -4.639 -9.683
185 HA TRP 28 HA TRP 28 39.662 -7.388 -9.107
186 HD1 TRP 28 HD1 TRP 28 41.308 -3.591 -11.013
187 HE1 TRP 28 HE1 TRP 28 42.641 -1.742 -9.816
188 HE3 TRP 28 HE3 TRP 28 42.933 -6.252 -6.964
189 HZ2 TRP 28 HZ2 TRP 28 44.182 -1.453 -7.470
190 HZ3 TRP 28 HZ3 TRP 28 44.331 -5.116 -5.290
191 HH2 TRP 28 HH2 TRP 28 44.941 -2.769 -5.539
192 HB2 TRP 28 HB2 TRP 28 42.041 -6.907 -9.432
193 HB3 TRP 28 HB3 TRP 28 41.073 -6.155 -10.705
194 H LEU 29 H LEU 29 40.488 -4.398 -7.366
195 HA LEU 29 HA LEU 29 41.740 -5.630 -5.175
196 HG LEU 29 HG LEU 29 42.897 -3.067 -3.932
197 HB2 LEU 29 HB2 LEU 29 41.767 -3.169 -5.863
198 HB3 LEU 29 HB3 LEU 29 40.208 -3.037 -5.055
199 HD11 LEU 29 HD11 LEU 29 40.608 -2.489 -2.209
200 HD12 LEU 29 HD12 LEU 29 40.634 -1.560 -3.708
201 HD13 LEU 29 HD13 LEU 29 42.012 -1.499 -2.607
202 HD21 LEU 29 HD21 LEU 29 42.403 -4.366 -1.952
203 HD22 LEU 29 HD22 LEU 29 42.263 -5.385 -3.385
204 HD23 LEU 29 HD23 LEU 29 40.811 -4.780 -2.587
205 H THR 30 H THR 30 38.502 -4.162 -5.318
206 HA THR 30 HA THR 30 37.384 -4.669 -3.002
207 HB THR 30 HB THR 30 35.236 -5.132 -4.102
208 HG1 THR 30 HG1 THR 30 36.645 -6.358 -5.865
209 HG21 THR 30 HG21 THR 30 36.741 -2.863 -4.451
210 HG22 THR 30 HG22 THR 30 35.028 -3.047 -4.834
211 HG23 THR 30 HG23 THR 30 36.243 -3.278 -6.091
212 H ARG 31 H ARG 31 38.278 -7.255 -5.222
213 HA ARG 31 HA ARG 31 36.893 -9.403 -4.278
214 HE ARG 31 HE ARG 31 40.189 -12.294 -6.758
215 HB2 ARG 31 HB2 ARG 31 39.286 -9.014 -5.731
216 HB3 ARG 31 HB3 ARG 31 39.670 -10.149 -4.444
217 HG2 ARG 31 HG2 ARG 31 37.164 -10.774 -5.776
218 HG3 ARG 31 HG3 ARG 31 38.545 -10.765 -6.873
219 HD2 ARG 31 HD2 ARG 31 38.747 -12.168 -4.243
220 HD3 ARG 31 HD3 ARG 31 37.901 -12.943 -5.586
221 HH11 ARG 31 HH11 ARG 31 39.585 -13.725 -3.643
222 HH12 ARG 31 HH12 ARG 31 41.083 -14.593 -3.606
223 HH21 ARG 31 HH21 ARG 31 42.162 -13.430 -6.724
224 HH22 ARG 31 HH22 ARG 31 42.550 -14.426 -5.361
225 H LEU 32 H LEU 32 39.506 -7.681 -2.722
226 HA LEU 32 HA LEU 32 39.488 -9.520 -0.464
227 HG LEU 32 HG LEU 32 40.806 -6.446 0.568
228 HB2 LEU 32 HB2 LEU 32 41.674 -9.070 -0.616
229 HB3 LEU 32 HB3 LEU 32 41.393 -7.666 -1.624
230 HD11 LEU 32 HD11 LEU 32 40.899 -7.572 2.471
231 HD12 LEU 32 HD12 LEU 32 42.588 -7.972 2.165
232 HD13 LEU 32 HD13 LEU 32 41.310 -9.039 1.584
233 HD21 LEU 32 HD21 LEU 32 42.781 -5.517 0.179
234 HD22 LEU 32 HD22 LEU 32 43.225 -6.908 -0.811
235 HD23 LEU 32 HD23 LEU 32 43.599 -6.899 0.912
236 H LEU 33 H LEU 33 39.223 -6.000 -0.955
237 HA LEU 33 HA LEU 33 38.515 -5.265 1.597
238 HG LEU 33 HG LEU 33 37.520 -1.955 0.373
239 HB2 LEU 33 HB2 LEU 33 38.794 -3.912 -0.673
240 HB3 LEU 33 HB3 LEU 33 37.038 -3.996 -0.652
241 HD11 LEU 33 HD11 LEU 33 37.447 -3.549 2.876
242 HD12 LEU 33 HD12 LEU 33 36.122 -3.733 1.725
243 HD13 LEU 33 HD13 LEU 33 36.493 -2.144 2.397
244 HD21 LEU 33 HD21 LEU 33 39.893 -2.165 0.627
245 HD22 LEU 33 HD22 LEU 33 39.696 -3.391 1.878
246 HD23 LEU 33 HD23 LEU 33 39.200 -1.728 2.190
247 H GLN 34 H GLN 34 36.310 -6.233 -1.026
248 HA GLN 34 HA GLN 34 33.892 -5.962 0.154
249 HB2 GLN 34 HB2 GLN 34 34.760 -7.034 -2.161
250 HB3 GLN 34 HB3 GLN 34 34.206 -8.485 -1.338
251 HG2 GLN 34 HG2 GLN 34 32.386 -7.718 -2.610
252 HG3 GLN 34 HG3 GLN 34 32.030 -7.276 -0.936
253 HE21 GLN 34 HE21 GLN 34 32.320 -5.080 -0.299
254 HE22 GLN 34 HE22 GLN 34 32.210 -3.807 -1.476
255 H THR 35 H THR 35 36.262 -7.966 1.491
256 HA THR 35 HA THR 35 35.253 -10.259 2.338
257 HB THR 35 HB THR 35 36.543 -8.168 4.090
258 HG1 THR 35 HG1 THR 35 38.398 -9.221 3.585
259 HG21 THR 35 HG21 THR 35 37.292 -10.374 5.307
260 HG22 THR 35 HG22 THR 35 35.735 -10.953 4.712
261 HG23 THR 35 HG23 THR 35 35.808 -9.531 5.754
262 H LYS 36 H LYS 36 33.928 -7.131 3.256
263 HA LYS 36 HA LYS 36 31.888 -8.564 4.838
264 HB2 LYS 36 HB2 LYS 36 31.664 -5.839 5.441
265 HB3 LYS 36 HB3 LYS 36 32.324 -7.107 6.470
266 HG2 LYS 36 HG2 LYS 36 33.928 -5.505 4.491
267 HG3 LYS 36 HG3 LYS 36 33.818 -5.158 6.218
268 HD2 LYS 36 HD2 LYS 36 34.507 -7.932 5.652
269 HD3 LYS 36 HD3 LYS 36 35.683 -6.784 5.009
270 HE2 LYS 36 HE2 LYS 36 36.149 -7.574 7.342
271 HE3 LYS 36 HE3 LYS 36 36.040 -5.823 7.160
272 HZ1 LYS 36 HZ1 LYS 36 34.682 -6.032 8.925
273 HZ2 LYS 36 HZ2 LYS 36 34.300 -7.648 8.602
274 HZ3 LYS 36 HZ3 LYS 36 33.517 -6.411 7.757
275 H ASN 37 H ASN 37 32.488 -6.451 2.172
276 HA ASN 37 HA ASN 37 31.041 -6.267 0.339
277 HB2 ASN 37 HB2 ASN 37 28.739 -6.372 2.302
278 HB3 ASN 37 HB3 ASN 37 28.644 -6.411 0.539
279 HD21 ASN 37 HD21 ASN 37 30.909 -8.177 0.236
280 HD22 ASN 37 HD22 ASN 37 30.372 -9.756 0.726
281 H TYR 38 H TYR 38 32.114 -4.430 2.587
282 HA TYR 38 HA TYR 38 30.430 -2.143 1.916
283 HD1 TYR 38 HD1 TYR 38 33.581 -3.386 2.927
284 HD2 TYR 38 HD2 TYR 38 31.959 -1.562 6.408
285 HE1 TYR 38 HE1 TYR 38 35.663 -3.862 4.138
286 HE2 TYR 38 HE2 TYR 38 34.038 -2.031 7.631
287 HH TYR 38 HH TYR 38 35.931 -3.650 7.484
288 HB2 TYR 38 HB2 TYR 38 31.121 -1.084 3.966
289 HB3 TYR 38 HB3 TYR 38 30.536 -2.703 4.326
290 H ASP 39 H ASP 39 32.515 -3.113 0.212
291 HA ASP 39 HA ASP 39 34.756 -1.341 0.520
292 HB2 ASP 39 HB2 ASP 39 35.267 -3.490 -0.352
293 HB3 ASP 39 HB3 ASP 39 34.014 -3.353 -1.586
294 H ILE 40 H ILE 40 35.527 -0.018 -1.219
295 HA ILE 40 HA ILE 40 35.366 1.395 -3.017
296 HB ILE 40 HB ILE 40 32.942 0.079 -3.371
297 HG12 ILE 40 HG12 ILE 40 33.074 1.624 -5.552
298 HG13 ILE 40 HG13 ILE 40 34.682 1.937 -4.887
299 HG21 ILE 40 HG21 ILE 40 31.508 1.683 -2.467
300 HG22 ILE 40 HG22 ILE 40 31.517 2.048 -4.190
301 HG23 ILE 40 HG23 ILE 40 32.473 3.028 -3.081
302 HD11 ILE 40 HD11 ILE 40 34.191 -0.048 -6.571
303 HD12 ILE 40 HD12 ILE 40 33.809 -0.886 -5.066
304 HD13 ILE 40 HD13 ILE 40 35.404 -0.170 -5.297
305 H GLY 41 H GLY 41 32.484 2.114 -0.978
306 HA2 GLY 41 HA2 GLY 41 33.109 4.886 -0.909
307 HA3 GLY 41 HA3 GLY 41 31.971 4.060 0.160
308 H ALA 42 H ALA 42 33.864 2.152 0.999
309 HA ALA 42 HA ALA 42 35.129 3.667 3.117
310 HB1 ALA 42 HB1 ALA 42 35.720 0.829 3.092
311 HB2 ALA 42 HB2 ALA 42 33.994 1.157 2.950
312 HB3 ALA 42 HB3 ALA 42 34.905 1.806 4.312
313 H ALA 43 H ALA 43 36.333 1.061 0.992
314 HA ALA 43 HA ALA 43 39.056 1.620 1.413
315 HB1 ALA 43 HB1 ALA 43 39.116 -0.390 0.476
316 HB2 ALA 43 HB2 ALA 43 38.862 0.393 -1.083
317 HB3 ALA 43 HB3 ALA 43 37.482 -0.203 -0.160
318 H LEU 44 H LEU 44 37.417 1.934 -1.725
319 HA LEU 44 HA LEU 44 39.191 3.379 -3.112
320 HG LEU 44 HG LEU 44 38.596 3.752 -5.156
321 HB2 LEU 44 HB2 LEU 44 36.459 2.858 -3.343
322 HB3 LEU 44 HB3 LEU 44 36.600 4.607 -3.493
323 HD11 LEU 44 HD11 LEU 44 36.794 1.530 -4.769
324 HD12 LEU 44 HD12 LEU 44 38.315 1.609 -5.660
325 HD13 LEU 44 HD13 LEU 44 36.805 2.066 -6.449
326 HD21 LEU 44 HD21 LEU 44 36.321 3.920 -6.761
327 HD22 LEU 44 HD22 LEU 44 37.422 5.228 -6.328
328 HD23 LEU 44 HD23 LEU 44 35.978 4.932 -5.359
329 H ASP 45 H ASP 45 37.336 4.614 -0.421
330 HA ASP 45 HA ASP 45 37.830 7.373 -0.949
331 HB2 ASP 45 HB2 ASP 45 35.969 6.956 0.422
332 HB3 ASP 45 HB3 ASP 45 36.861 5.835 1.447
333 H THR 46 H THR 46 39.475 4.863 0.875
334 HA THR 46 HA THR 46 41.390 6.694 2.026
335 HB THR 46 HB THR 46 41.927 4.992 3.396
336 HG1 THR 46 HG1 THR 46 43.249 3.773 2.286
337 HG21 THR 46 HG21 THR 46 39.901 3.247 2.058
338 HG22 THR 46 HG22 THR 46 39.426 4.637 3.035
339 HG23 THR 46 HG23 THR 46 40.353 3.323 3.760
340 H ILE 47 H ILE 47 41.103 4.736 -0.794
341 HA ILE 47 HA ILE 47 43.932 4.834 -1.415
342 HB ILE 47 HB ILE 47 42.112 4.102 -3.595
343 HG12 ILE 47 HG12 ILE 47 42.054 2.614 -0.970
344 HG13 ILE 47 HG13 ILE 47 40.690 3.225 -1.900
345 HG21 ILE 47 HG21 ILE 47 44.290 2.498 -2.282
346 HG22 ILE 47 HG22 ILE 47 44.602 3.763 -3.470
347 HG23 ILE 47 HG23 ILE 47 43.661 2.342 -3.923
348 HD11 ILE 47 HD11 ILE 47 40.487 1.223 -2.809
349 HD12 ILE 47 HD12 ILE 47 41.961 0.671 -2.015
350 HD13 ILE 47 HD13 ILE 47 42.050 1.454 -3.591
351 H GLN 48 H GLN 48 41.869 7.192 -1.271
352 HA GLN 48 HA GLN 48 42.937 8.567 -3.632
353 HB2 GLN 48 HB2 GLN 48 40.280 7.752 -3.411
354 HB3 GLN 48 HB3 GLN 48 40.247 9.454 -2.973
355 HG2 GLN 48 HG2 GLN 48 39.908 9.536 -5.240
356 HG3 GLN 48 HG3 GLN 48 41.651 9.776 -5.127
357 HE21 GLN 48 HE21 GLN 48 39.593 6.889 -4.981
358 HE22 GLN 48 HE22 GLN 48 40.393 6.044 -6.266
359 H TYR 49 H TYR 49 41.376 8.792 -0.481
360 HA TYR 49 HA TYR 49 41.200 10.553 0.995
361 HD1 TYR 49 HD1 TYR 49 43.571 8.050 -0.249
362 HD2 TYR 49 HD2 TYR 49 45.706 11.580 0.781
363 HE1 TYR 49 HE1 TYR 49 45.498 7.256 -1.553
364 HE2 TYR 49 HE2 TYR 49 47.639 10.800 -0.524
365 HH TYR 49 HH TYR 49 48.515 8.410 -1.258
366 HB2 TYR 49 HB2 TYR 49 43.611 11.260 1.672
367 HB3 TYR 49 HB3 TYR 49 43.096 9.588 1.912
368 H SER 50 H SER 50 40.177 12.275 0.153
369 HA SER 50 HA SER 50 41.812 14.563 -0.521
370 HG SER 50 HG SER 50 41.856 15.577 -2.508
371 HB2 SER 50 HB2 SER 50 41.285 13.281 -2.693
372 HB3 SER 50 HB3 SER 50 39.625 13.828 -2.462
373 H LYS 51 H LYS 51 40.593 16.571 -0.499
374 HA LYS 51 HA LYS 51 38.640 16.607 1.560
375 HB2 LYS 51 HB2 LYS 51 40.218 18.520 0.132
376 HB3 LYS 51 HB3 LYS 51 38.542 19.052 0.119
377 HG2 LYS 51 HG2 LYS 51 39.309 20.027 2.044
378 HG3 LYS 51 HG3 LYS 51 38.649 18.514 2.671
379 HD2 LYS 51 HD2 LYS 51 41.429 18.283 1.827
380 HD3 LYS 51 HD3 LYS 51 41.194 19.474 3.107
381 HE2 LYS 51 HE2 LYS 51 39.795 17.635 4.251
382 HE3 LYS 51 HE3 LYS 51 40.594 16.538 3.126
383 HZ1 LYS 51 HZ1 LYS 51 42.734 17.615 3.996
384 HZ2 LYS 51 HZ2 LYS 51 41.946 16.493 4.986
385 HZ3 LYS 51 HZ3 LYS 51 41.785 18.148 5.291
386 H HIS 52 H HIS 52 36.713 18.395 0.836
387 HA HIS 52 HA HIS 52 34.709 18.639 -0.223
388 HD1 HIS 52 HD1 HIS 52 34.526 20.390 -1.369
389 HD2 HIS 52 HD2 HIS 52 33.856 17.856 -4.593
390 HE1 HIS 52 HE1 HIS 52 32.964 21.624 -2.929
391 HB2 HIS 52 HB2 HIS 52 36.432 18.070 -2.293
392 HB3 HIS 52 HB3 HIS 52 35.199 16.820 -2.470
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 30.516 6.951 6.819
2 H2 GLY 1 2H GLY 1 31.800 8.026 7.052
3 H3 GLY 1 3H GLY 1 30.291 8.607 6.559
4 HA2 GLY 1 HA2 GLY 1 30.551 9.094 8.871
5 HA3 GLY 1 HA3 GLY 1 29.318 7.857 8.671
6 H SER 2 H SER 2 29.583 5.910 9.643
7 HA SER 2 HA SER 2 32.105 5.515 11.113
8 HG SER 2 HG SER 2 30.363 5.484 13.960
9 HB2 SER 2 HB2 SER 2 29.377 5.458 11.990
10 HB3 SER 2 HB3 SER 2 30.084 3.858 12.210
11 HA PRO 3 HA PRO 3 32.766 1.978 8.531
12 HB2 PRO 3 HB2 PRO 3 34.695 0.803 10.073
13 HB3 PRO 3 HB3 PRO 3 34.998 2.161 8.986
14 HG2 PRO 3 HG2 PRO 3 34.579 2.157 11.944
15 HG3 PRO 3 HG3 PRO 3 35.722 3.101 10.972
16 HD2 PRO 3 HD2 PRO 3 33.426 4.150 11.934
17 HD3 PRO 3 HD3 PRO 3 34.136 4.664 10.391
18 HA PRO 4 HA PRO 4 30.593 -1.418 10.325
19 HB2 PRO 4 HB2 PRO 4 31.672 -3.532 9.054
20 HB3 PRO 4 HB3 PRO 4 30.690 -2.333 8.211
21 HG2 PRO 4 HG2 PRO 4 33.652 -2.650 8.272
22 HG3 PRO 4 HG3 PRO 4 32.598 -2.184 6.927
23 HD2 PRO 4 HD2 PRO 4 34.078 -0.421 8.450
24 HD3 PRO 4 HD3 PRO 4 32.637 0.015 7.512
25 H GLU 5 H GLU 5 32.214 -0.709 12.322
26 HA GLU 5 HA GLU 5 33.442 -1.423 14.107
27 HB2 GLU 5 HB2 GLU 5 31.838 -3.806 13.283
28 HB3 GLU 5 HB3 GLU 5 33.080 -4.021 14.510
29 HG2 GLU 5 HG2 GLU 5 31.968 -2.042 15.699
30 HG3 GLU 5 HG3 GLU 5 30.609 -2.333 14.615
31 H ALA 6 H ALA 6 34.719 -1.379 11.508
32 HA ALA 6 HA ALA 6 37.072 -2.877 12.162
33 HB1 ALA 6 HB1 ALA 6 35.714 -4.526 10.889
34 HB2 ALA 6 HB2 ALA 6 37.220 -4.093 10.079
35 HB3 ALA 6 HB3 ALA 6 35.692 -3.406 9.529
36 H ASP 7 H ASP 7 37.075 -0.364 12.365
37 HA ASP 7 HA ASP 7 37.356 1.189 10.004
38 HB2 ASP 7 HB2 ASP 7 36.803 2.208 12.168
39 HB3 ASP 7 HB3 ASP 7 38.359 1.704 12.815
40 HA PRO 8 HA PRO 8 42.047 0.454 10.780
41 HB2 PRO 8 HB2 PRO 8 42.756 -1.636 12.340
42 HB3 PRO 8 HB3 PRO 8 42.450 -0.026 13.001
43 HG2 PRO 8 HG2 PRO 8 40.672 -2.427 12.961
44 HG3 PRO 8 HG3 PRO 8 40.937 -1.249 14.259
45 HD2 PRO 8 HD2 PRO 8 38.774 -1.206 12.597
46 HD3 PRO 8 HD3 PRO 8 39.438 0.243 13.377
47 H ARG 9 H ARG 9 40.189 -2.587 11.039
48 HA ARG 9 HA ARG 9 41.808 -4.140 9.382
49 HE ARG 9 HE ARG 9 36.846 -6.472 9.622
50 HB2 ARG 9 HB2 ARG 9 40.314 -5.514 10.381
51 HB3 ARG 9 HB3 ARG 9 39.061 -4.284 10.428
52 HG2 ARG 9 HG2 ARG 9 38.127 -4.969 8.490
53 HG3 ARG 9 HG3 ARG 9 39.677 -5.413 7.771
54 HD2 ARG 9 HD2 ARG 9 38.702 -7.477 8.069
55 HD3 ARG 9 HD3 ARG 9 39.646 -7.309 9.552
56 HH11 ARG 9 HH11 ARG 9 39.264 -8.861 10.435
57 HH12 ARG 9 HH12 ARG 9 38.288 -9.620 11.645
58 HH21 ARG 9 HH21 ARG 9 35.558 -7.484 11.211
59 HH22 ARG 9 HH22 ARG 9 36.187 -8.843 12.084
60 H LEU 10 H LEU 10 39.110 -2.012 8.580
61 HA LEU 10 HA LEU 10 39.168 -2.664 5.795
62 HG LEU 10 HG LEU 10 36.201 -0.857 5.173
63 HB2 LEU 10 HB2 LEU 10 37.113 -1.946 6.909
64 HB3 LEU 10 HB3 LEU 10 37.843 -0.386 7.265
65 HD11 LEU 10 HD11 LEU 10 37.910 1.140 4.248
66 HD12 LEU 10 HD12 LEU 10 38.035 1.192 6.007
67 HD13 LEU 10 HD13 LEU 10 36.459 1.341 5.230
68 HD21 LEU 10 HD21 LEU 10 38.824 -0.735 3.776
69 HD22 LEU 10 HD22 LEU 10 37.258 -1.299 3.194
70 HD23 LEU 10 HD23 LEU 10 38.210 -2.306 4.281
71 H ILE 11 H ILE 11 39.862 0.391 7.510
72 HA ILE 11 HA ILE 11 41.007 1.704 5.339
73 HB ILE 11 HB ILE 11 41.578 2.051 8.280
74 HG12 ILE 11 HG12 ILE 11 39.292 2.559 7.802
75 HG13 ILE 11 HG13 ILE 11 40.140 4.105 7.917
76 HG21 ILE 11 HG21 ILE 11 43.432 2.879 6.878
77 HG22 ILE 11 HG22 ILE 11 42.589 4.177 7.724
78 HG23 ILE 11 HG23 ILE 11 42.288 3.902 6.006
79 HD11 ILE 11 HD11 ILE 11 39.105 2.704 5.483
80 HD12 ILE 11 HD12 ILE 11 40.338 3.960 5.372
81 HD13 ILE 11 HD13 ILE 11 38.759 4.334 6.061
82 H GLU 12 H GLU 12 42.333 -0.762 7.393
83 HA GLU 12 HA GLU 12 45.047 -0.156 6.677
84 HB2 GLU 12 HB2 GLU 12 44.646 -1.122 8.863
85 HB3 GLU 12 HB3 GLU 12 43.865 -2.518 8.135
86 HG2 GLU 12 HG2 GLU 12 45.860 -3.412 7.386
87 HG3 GLU 12 HG3 GLU 12 46.703 -1.865 7.473
88 H SER 13 H SER 13 42.760 -2.749 5.844
89 HA SER 13 HA SER 13 44.299 -4.317 4.270
90 HG SER 13 HG SER 13 41.938 -5.971 4.139
91 HB2 SER 13 HB2 SER 13 41.497 -3.305 3.769
92 HB3 SER 13 HB3 SER 13 42.268 -4.478 2.701
93 H LEU 14 H LEU 14 43.237 -1.044 3.617
94 HA LEU 14 HA LEU 14 44.078 -0.969 0.898
95 HG LEU 14 HG LEU 14 41.529 1.374 1.039
96 HB2 LEU 14 HB2 LEU 14 43.598 1.300 2.830
97 HB3 LEU 14 HB3 LEU 14 43.762 1.459 1.085
98 HD11 LEU 14 HD11 LEU 14 40.539 -0.762 0.826
99 HD12 LEU 14 HD12 LEU 14 41.738 -1.503 1.886
100 HD13 LEU 14 HD13 LEU 14 42.209 -0.932 0.286
101 HD21 LEU 14 HD21 LEU 14 40.775 1.812 3.100
102 HD22 LEU 14 HD22 LEU 14 41.908 0.695 3.860
103 HD23 LEU 14 HD23 LEU 14 40.408 0.088 3.157
104 H SER 15 H SER 15 45.686 -0.390 3.922
105 HA SER 15 HA SER 15 47.770 1.227 3.323
106 HG SER 15 HG SER 15 49.658 -0.105 5.939
107 HB2 SER 15 HB2 SER 15 47.268 -0.043 5.500
108 HB3 SER 15 HB3 SER 15 48.250 -1.339 4.816
109 H GLN 16 H GLN 16 47.189 -1.887 2.019
110 HA GLN 16 HA GLN 16 49.874 -2.327 1.066
111 HB2 GLN 16 HB2 GLN 16 48.720 -4.175 -0.283
112 HB3 GLN 16 HB3 GLN 16 48.689 -4.319 1.469
113 HG2 GLN 16 HG2 GLN 16 46.488 -4.430 1.442
114 HG3 GLN 16 HG3 GLN 16 46.400 -2.853 0.662
115 HE21 GLN 16 HE21 GLN 16 44.429 -3.949 -0.210
116 HE22 GLN 16 HE22 GLN 16 44.609 -4.840 -1.686
117 H MET 17 H MET 17 46.831 -1.127 -0.259
118 HA MET 17 HA MET 17 47.998 -0.824 -2.901
119 HB2 MET 17 HB2 MET 17 45.881 -0.526 -3.701
120 HB3 MET 17 HB3 MET 17 45.507 -1.434 -2.244
121 HG2 MET 17 HG2 MET 17 44.905 0.577 -1.079
122 HG3 MET 17 HG3 MET 17 45.434 1.569 -2.440
123 HE1 MET 17 HE1 MET 17 44.436 -0.089 -4.886
124 HE2 MET 17 HE2 MET 17 42.739 -0.570 -4.893
125 HE3 MET 17 HE3 MET 17 43.916 -1.501 -3.967
126 H LEU 18 H LEU 18 46.481 1.382 -0.520
127 HA LEU 18 HA LEU 18 46.961 3.795 -1.679
128 HG LEU 18 HG LEU 18 47.907 5.450 1.205
129 HB2 LEU 18 HB2 LEU 18 45.900 3.370 0.566
130 HB3 LEU 18 HB3 LEU 18 47.519 3.208 1.234
131 HD11 LEU 18 HD11 LEU 18 46.165 5.545 -1.239
132 HD12 LEU 18 HD12 LEU 18 47.889 5.889 -1.101
133 HD13 LEU 18 HD13 LEU 18 46.709 7.005 -0.412
134 HD21 LEU 18 HD21 LEU 18 46.030 6.622 1.998
135 HD22 LEU 18 HD22 LEU 18 45.746 4.937 2.435
136 HD23 LEU 18 HD23 LEU 18 44.913 5.640 1.048
137 H SER 19 H SER 19 49.178 2.451 0.715
138 HA SER 19 HA SER 19 51.358 4.013 0.397
139 HG SER 19 HG SER 19 53.220 0.846 0.589
140 HB2 SER 19 HB2 SER 19 52.429 2.465 1.646
141 HB3 SER 19 HB3 SER 19 50.895 1.598 1.637
142 H MET 20 H MET 20 50.282 1.500 -1.815
143 HA MET 20 HA MET 20 52.619 1.435 -3.411
144 HB2 MET 20 HB2 MET 20 51.557 -0.264 -4.405
145 HB3 MET 20 HB3 MET 20 50.242 0.003 -3.274
146 HG2 MET 20 HG2 MET 20 49.014 1.269 -4.840
147 HG3 MET 20 HG3 MET 20 50.407 1.417 -5.920
148 HE1 MET 20 HE1 MET 20 47.446 -1.454 -4.904
149 HE2 MET 20 HE2 MET 20 47.051 -1.047 -6.574
150 HE3 MET 20 HE3 MET 20 47.302 0.236 -5.390
151 H GLY 21 H GLY 21 49.953 3.621 -3.239
152 HA2 GLY 21 HA2 GLY 21 49.971 5.774 -4.198
153 HA3 GLY 21 HA3 GLY 21 51.174 5.223 -5.355
154 H PHE 22 H PHE 22 47.931 3.959 -4.503
155 HA PHE 22 HA PHE 22 46.911 4.750 -7.096
156 HD1 PHE 22 HD2 PHE 22 45.086 1.190 -6.127
157 HD2 PHE 22 HD1 PHE 22 46.486 3.016 -9.705
158 HE1 PHE 22 HE2 PHE 22 43.058 0.434 -7.304
159 HE2 PHE 22 HE1 PHE 22 44.463 2.265 -10.888
160 HZ PHE 22 HZ PHE 22 42.747 0.973 -9.687
161 HB2 PHE 22 HB2 PHE 22 47.934 2.752 -7.840
162 HB3 PHE 22 HB3 PHE 22 47.429 1.866 -6.404
163 H SER 23 H SER 23 44.619 4.018 -7.397
164 HA SER 23 HA SER 23 43.209 3.469 -4.900
165 HG SER 23 HG SER 23 44.372 6.232 -5.947
166 HB2 SER 23 HB2 SER 23 42.240 5.705 -6.655
167 HB3 SER 23 HB3 SER 23 41.848 5.370 -4.966
168 H ASP 24 H ASP 24 41.431 2.241 -5.162
169 HA ASP 24 HA ASP 24 40.808 1.327 -7.857
170 HB2 ASP 24 HB2 ASP 24 41.033 -0.485 -6.375
171 HB3 ASP 24 HB3 ASP 24 40.135 0.337 -5.094
172 H GLU 25 H GLU 25 38.966 1.801 -8.924
173 HA GLU 25 HA GLU 25 37.273 3.869 -7.852
174 HB2 GLU 25 HB2 GLU 25 36.166 3.760 -10.070
175 HB3 GLU 25 HB3 GLU 25 37.905 4.000 -10.177
176 HG2 GLU 25 HG2 GLU 25 38.284 1.859 -10.966
177 HG3 GLU 25 HG3 GLU 25 36.743 1.255 -10.361
178 H GLY 26 H GLY 26 37.184 0.433 -8.102
179 HA2 GLY 26 HA2 GLY 26 35.565 -0.639 -6.576
180 HA3 GLY 26 HA3 GLY 26 34.361 0.478 -7.216
181 H GLY 27 H GLY 27 36.793 -1.528 -8.860
182 HA2 GLY 27 HA2 GLY 27 34.705 -3.253 -9.924
183 HA3 GLY 27 HA3 GLY 27 35.499 -2.225 -11.100
184 H TRP 28 H TRP 28 37.623 -3.124 -8.627
185 HA TRP 28 HA TRP 28 38.435 -5.615 -9.878
186 HD1 TRP 28 HD1 TRP 28 40.146 -1.260 -10.298
187 HE1 TRP 28 HE1 TRP 28 41.849 -0.273 -8.640
188 HE3 TRP 28 HE3 TRP 28 41.799 -5.595 -8.148
189 HZ2 TRP 28 HZ2 TRP 28 43.656 -1.207 -6.682
190 HZ3 TRP 28 HZ3 TRP 28 43.517 -5.460 -6.394
191 HH2 TRP 28 HH2 TRP 28 44.425 -3.307 -5.676
192 HB2 TRP 28 HB2 TRP 28 40.585 -4.948 -10.540
193 HB3 TRP 28 HB3 TRP 28 39.540 -3.633 -11.093
194 H LEU 29 H LEU 29 39.017 -3.150 -7.416
195 HA LEU 29 HA LEU 29 40.582 -4.906 -5.763
196 HG LEU 29 HG LEU 29 42.215 -2.995 -4.589
197 HB2 LEU 29 HB2 LEU 29 40.468 -2.249 -5.913
198 HB3 LEU 29 HB3 LEU 29 39.271 -2.480 -4.641
199 HD11 LEU 29 HD11 LEU 29 40.985 -0.914 -3.718
200 HD12 LEU 29 HD12 LEU 29 42.177 -1.684 -2.670
201 HD13 LEU 29 HD13 LEU 29 40.458 -1.959 -2.399
202 HD21 LEU 29 HD21 LEU 29 40.279 -4.270 -2.665
203 HD22 LEU 29 HD22 LEU 29 42.036 -4.417 -2.676
204 HD23 LEU 29 HD23 LEU 29 41.082 -5.133 -3.976
205 H THR 30 H THR 30 37.247 -4.325 -6.280
206 HA THR 30 HA THR 30 36.050 -4.790 -3.854
207 HB THR 30 HB THR 30 35.309 -5.508 -6.665
208 HG1 THR 30 HG1 THR 30 34.192 -3.750 -6.474
209 HG21 THR 30 HG21 THR 30 34.165 -7.284 -5.806
210 HG22 THR 30 HG22 THR 30 32.977 -6.000 -5.583
211 HG23 THR 30 HG23 THR 30 33.964 -6.534 -4.224
212 H ARG 31 H ARG 31 37.075 -7.259 -6.197
213 HA ARG 31 HA ARG 31 36.374 -9.590 -5.132
214 HE ARG 31 HE ARG 31 38.874 -9.577 -9.294
215 HB2 ARG 31 HB2 ARG 31 38.317 -8.840 -6.907
216 HB3 ARG 31 HB3 ARG 31 39.274 -9.561 -5.618
217 HG2 ARG 31 HG2 ARG 31 38.307 -11.651 -5.895
218 HG3 ARG 31 HG3 ARG 31 36.903 -10.998 -6.743
219 HD2 ARG 31 HD2 ARG 31 39.726 -11.071 -7.805
220 HD3 ARG 31 HD3 ARG 31 38.426 -12.176 -8.261
221 HH11 ARG 31 HH11 ARG 31 36.330 -11.761 -8.352
222 HH12 ARG 31 HH12 ARG 31 35.168 -11.088 -9.446
223 HH21 ARG 31 HH21 ARG 31 37.349 -8.680 -10.740
224 HH22 ARG 31 HH22 ARG 31 35.749 -9.339 -10.806
225 H LEU 32 H LEU 32 39.201 -7.771 -3.942
226 HA LEU 32 HA LEU 32 39.329 -9.517 -1.617
227 HG LEU 32 HG LEU 32 41.267 -7.987 0.015
228 HB2 LEU 32 HB2 LEU 32 41.493 -9.207 -2.218
229 HB3 LEU 32 HB3 LEU 32 41.173 -7.660 -2.975
230 HD11 LEU 32 HD11 LEU 32 43.430 -8.551 -0.342
231 HD12 LEU 32 HD12 LEU 32 43.597 -6.802 -0.497
232 HD13 LEU 32 HD13 LEU 32 43.478 -7.808 -1.941
233 HD21 LEU 32 HD21 LEU 32 40.792 -5.821 0.064
234 HD22 LEU 32 HD22 LEU 32 40.530 -5.879 -1.679
235 HD23 LEU 32 HD23 LEU 32 42.119 -5.461 -1.040
236 H LEU 33 H LEU 33 38.419 -6.261 -2.466
237 HA LEU 33 HA LEU 33 38.433 -5.140 0.109
238 HG LEU 33 HG LEU 33 36.371 -2.308 -1.196
239 HB2 LEU 33 HB2 LEU 33 38.176 -3.978 -2.147
240 HB3 LEU 33 HB3 LEU 33 36.475 -4.421 -2.060
241 HD11 LEU 33 HD11 LEU 33 37.103 -3.954 1.220
242 HD12 LEU 33 HD12 LEU 33 35.497 -3.788 0.513
243 HD13 LEU 33 HD13 LEU 33 36.280 -2.395 1.259
244 HD21 LEU 33 HD21 LEU 33 39.141 -2.803 -0.140
245 HD22 LEU 33 HD22 LEU 33 38.189 -1.393 0.323
246 HD23 LEU 33 HD23 LEU 33 38.625 -1.647 -1.368
247 H GLN 34 H GLN 34 35.745 -6.616 -1.735
248 HA GLN 34 HA GLN 34 33.884 -6.457 0.392
249 HB2 GLN 34 HB2 GLN 34 34.002 -7.775 -2.263
250 HB3 GLN 34 HB3 GLN 34 32.858 -8.438 -1.103
251 HG2 GLN 34 HG2 GLN 34 31.725 -6.834 -2.461
252 HG3 GLN 34 HG3 GLN 34 31.897 -6.167 -0.831
253 HE21 GLN 34 HE21 GLN 34 34.015 -4.884 -0.567
254 HE22 GLN 34 HE22 GLN 34 34.357 -3.746 -1.833
255 H THR 35 H THR 35 36.582 -8.327 0.055
256 HA THR 35 HA THR 35 35.674 -10.783 1.197
257 HB THR 35 HB THR 35 38.495 -9.700 1.133
258 HG1 THR 35 HG1 THR 35 38.506 -11.166 -0.797
259 HG21 THR 35 HG21 THR 35 37.561 -12.557 1.117
260 HG22 THR 35 HG22 THR 35 38.131 -11.703 2.551
261 HG23 THR 35 HG23 THR 35 39.221 -11.968 1.191
262 H LYS 36 H LYS 36 35.847 -7.777 2.504
263 HA LYS 36 HA LYS 36 36.614 -8.758 5.163
264 HB2 LYS 36 HB2 LYS 36 36.616 -5.993 3.986
265 HB3 LYS 36 HB3 LYS 36 36.847 -6.301 5.705
266 HG2 LYS 36 HG2 LYS 36 38.865 -5.993 4.027
267 HG3 LYS 36 HG3 LYS 36 38.956 -7.080 5.417
268 HD2 LYS 36 HD2 LYS 36 38.346 -8.967 3.981
269 HD3 LYS 36 HD3 LYS 36 38.258 -7.884 2.591
270 HE2 LYS 36 HE2 LYS 36 40.494 -7.819 2.350
271 HE3 LYS 36 HE3 LYS 36 40.779 -7.766 4.089
272 HZ1 LYS 36 HZ1 LYS 36 41.602 -9.819 3.549
273 HZ2 LYS 36 HZ2 LYS 36 40.461 -10.096 2.330
274 HZ3 LYS 36 HZ3 LYS 36 40.012 -10.230 3.955
275 H ASN 37 H ASN 37 34.062 -7.534 3.282
276 HA ASN 37 HA ASN 37 31.799 -7.771 3.853
277 HB2 ASN 37 HB2 ASN 37 32.588 -7.178 6.718
278 HB3 ASN 37 HB3 ASN 37 31.006 -7.701 6.131
279 HD21 ASN 37 HD21 ASN 37 32.149 -9.601 4.245
280 HD22 ASN 37 HD22 ASN 37 32.695 -10.951 5.194
281 H TYR 38 H TYR 38 32.475 -5.900 2.517
282 HA TYR 38 HA TYR 38 30.955 -3.785 3.023
283 HD1 TYR 38 HD2 TYR 38 34.865 -3.092 2.420
284 HD2 TYR 38 HD1 TYR 38 33.608 -3.660 6.444
285 HE1 TYR 38 HE2 TYR 38 37.170 -3.663 3.058
286 HE2 TYR 38 HE1 TYR 38 35.909 -4.229 7.091
287 HH TYR 38 HH TYR 38 37.946 -4.871 6.245
288 HB2 TYR 38 HB2 TYR 38 32.684 -1.966 3.603
289 HB3 TYR 38 HB3 TYR 38 32.062 -2.974 4.899
290 H ASP 39 H ASP 39 32.140 -1.597 1.869
291 HA ASP 39 HA ASP 39 33.322 -2.662 -0.592
292 HB2 ASP 39 HB2 ASP 39 31.260 -0.490 -0.736
293 HB3 ASP 39 HB3 ASP 39 31.805 -1.592 -2.001
294 H ILE 40 H ILE 40 34.360 -1.074 -1.941
295 HA ILE 40 HA ILE 40 36.344 0.345 -0.887
296 HB ILE 40 HB ILE 40 36.263 1.851 -2.904
297 HG12 ILE 40 HG12 ILE 40 34.073 0.095 -3.949
298 HG13 ILE 40 HG13 ILE 40 33.644 1.505 -2.974
299 HG21 ILE 40 HG21 ILE 40 35.963 -0.774 -4.105
300 HG22 ILE 40 HG22 ILE 40 36.920 -0.816 -2.625
301 HG23 ILE 40 HG23 ILE 40 37.396 0.243 -3.954
302 HD11 ILE 40 HD11 ILE 40 33.663 1.812 -5.480
303 HD12 ILE 40 HD12 ILE 40 35.420 1.691 -5.386
304 HD13 ILE 40 HD13 ILE 40 34.578 2.989 -4.538
305 H GLY 41 H GLY 41 32.991 1.394 -0.946
306 HA2 GLY 41 HA2 GLY 41 33.320 4.122 -0.501
307 HA3 GLY 41 HA3 GLY 41 31.971 3.158 0.103
308 H ALA 42 H ALA 42 34.289 1.528 1.422
309 HA ALA 42 HA ALA 42 34.371 3.138 3.864
310 HB1 ALA 42 HB1 ALA 42 35.161 0.245 3.686
311 HB2 ALA 42 HB2 ALA 42 33.462 0.714 3.788
312 HB3 ALA 42 HB3 ALA 42 34.578 1.156 5.081
313 H ALA 43 H ALA 43 36.316 1.495 1.444
314 HA ALA 43 HA ALA 43 38.798 2.127 2.845
315 HB1 ALA 43 HB1 ALA 43 39.740 1.045 0.657
316 HB2 ALA 43 HB2 ALA 43 38.082 0.480 0.469
317 HB3 ALA 43 HB3 ALA 43 39.003 0.045 1.908
318 H LEU 44 H LEU 44 37.339 2.847 -0.329
319 HA LEU 44 HA LEU 44 39.174 4.409 -1.512
320 HG LEU 44 HG LEU 44 38.003 6.570 -2.845
321 HB2 LEU 44 HB2 LEU 44 36.732 3.915 -2.182
322 HB3 LEU 44 HB3 LEU 44 36.350 5.408 -1.328
323 HD11 LEU 44 HD11 LEU 44 39.302 5.342 -4.157
324 HD12 LEU 44 HD12 LEU 44 37.871 4.814 -5.042
325 HD13 LEU 44 HD13 LEU 44 38.459 3.872 -3.672
326 HD21 LEU 44 HD21 LEU 44 35.336 5.957 -3.173
327 HD22 LEU 44 HD22 LEU 44 36.046 5.546 -4.733
328 HD23 LEU 44 HD23 LEU 44 36.243 7.170 -4.075
329 H ASP 45 H ASP 45 37.286 5.300 1.301
330 HA ASP 45 HA ASP 45 37.606 8.012 1.427
331 HB2 ASP 45 HB2 ASP 45 36.358 6.673 3.092
332 HB3 ASP 45 HB3 ASP 45 37.885 6.100 3.756
333 H THR 46 H THR 46 40.010 5.532 2.159
334 HA THR 46 HA THR 46 41.939 7.582 2.911
335 HB THR 46 HB THR 46 42.232 5.837 4.384
336 HG1 THR 46 HG1 THR 46 44.248 5.652 3.905
337 HG21 THR 46 HG21 THR 46 41.883 3.827 2.171
338 HG22 THR 46 HG22 THR 46 40.651 4.271 3.352
339 HG23 THR 46 HG23 THR 46 42.135 3.479 3.880
340 H ILE 47 H ILE 47 41.869 4.841 0.618
341 HA ILE 47 HA ILE 47 44.162 5.721 -0.790
342 HB ILE 47 HB ILE 47 43.513 4.068 -2.487
343 HG12 ILE 47 HG12 ILE 47 41.166 3.245 -0.831
344 HG13 ILE 47 HG13 ILE 47 40.974 4.591 -1.949
345 HG21 ILE 47 HG21 ILE 47 43.585 3.388 0.409
346 HG22 ILE 47 HG22 ILE 47 44.755 3.041 -0.863
347 HG23 ILE 47 HG23 ILE 47 43.266 2.104 -0.757
348 HD11 ILE 47 HD11 ILE 47 40.457 3.023 -3.441
349 HD12 ILE 47 HD12 ILE 47 41.168 1.733 -2.469
350 HD13 ILE 47 HD13 ILE 47 42.193 2.719 -3.513
351 H GLN 48 H GLN 48 41.861 7.747 -0.577
352 HA GLN 48 HA GLN 48 42.064 8.613 -3.325
353 HB2 GLN 48 HB2 GLN 48 39.997 7.103 -3.107
354 HB3 GLN 48 HB3 GLN 48 39.296 8.409 -2.159
355 HG2 GLN 48 HG2 GLN 48 38.712 8.338 -4.616
356 HG3 GLN 48 HG3 GLN 48 39.292 9.879 -3.985
357 HE21 GLN 48 HE21 GLN 48 41.353 7.129 -4.631
358 HE22 GLN 48 HE22 GLN 48 42.200 7.834 -5.969
359 H TYR 49 H TYR 49 41.898 10.800 -3.575
360 HA TYR 49 HA TYR 49 40.686 12.606 -1.827
361 HD1 TYR 49 HD1 TYR 49 44.804 13.543 -2.274
362 HD2 TYR 49 HD2 TYR 49 43.497 10.031 -0.262
363 HE1 TYR 49 HE1 TYR 49 46.989 12.500 -2.690
364 HE2 TYR 49 HE2 TYR 49 45.679 8.978 -0.671
365 HH TYR 49 HH TYR 49 47.906 9.500 -1.208
366 HB2 TYR 49 HB2 TYR 49 42.815 13.553 -0.787
367 HB3 TYR 49 HB3 TYR 49 42.215 12.033 -0.112
368 H SER 50 H SER 50 43.245 11.946 -4.133
369 HA SER 50 HA SER 50 42.750 14.586 -5.332
370 HG SER 50 HG SER 50 44.102 15.588 -3.944
371 HB2 SER 50 HB2 SER 50 45.431 13.290 -4.831
372 HB3 SER 50 HB3 SER 50 45.206 14.626 -5.961
373 H LYS 51 H LYS 51 42.437 14.594 -7.477
374 HA LYS 51 HA LYS 51 43.294 12.305 -9.079
375 HB2 LYS 51 HB2 LYS 51 41.138 11.543 -8.693
376 HB3 LYS 51 HB3 LYS 51 40.466 13.165 -8.616
377 HG2 LYS 51 HG2 LYS 51 41.545 12.621 -11.233
378 HG3 LYS 51 HG3 LYS 51 40.366 11.395 -10.758
379 HD2 LYS 51 HD2 LYS 51 38.653 12.962 -10.520
380 HD3 LYS 51 HD3 LYS 51 39.780 14.315 -10.404
381 HE2 LYS 51 HE2 LYS 51 40.246 14.258 -12.710
382 HE3 LYS 51 HE3 LYS 51 39.517 12.665 -12.900
383 HZ1 LYS 51 HZ1 LYS 51 37.400 13.930 -12.080
384 HZ2 LYS 51 HZ2 LYS 51 37.868 13.998 -13.705
385 HZ3 LYS 51 HZ3 LYS 51 38.225 15.286 -12.669
386 H HIS 52 H HIS 52 44.017 12.875 -11.044
387 HA HIS 52 HA HIS 52 44.507 14.120 -12.890
388 HD1 HIS 52 HD1 HIS 52 44.491 17.465 -13.221
389 HD2 HIS 52 HD2 HIS 52 41.687 15.433 -15.516
390 HE1 HIS 52 HE1 HIS 52 44.516 18.555 -15.504
391 HB2 HIS 52 HB2 HIS 52 42.063 14.512 -13.043
392 HB3 HIS 52 HB3 HIS 52 42.241 15.922 -11.998
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 36.364 8.391 16.615
2 H2 GLY 1 2H GLY 1 36.703 9.922 15.984
3 H3 GLY 1 3H GLY 1 37.348 8.544 15.247
4 HA2 GLY 1 HA2 GLY 1 34.431 8.931 15.475
5 HA3 GLY 1 HA3 GLY 1 35.339 9.642 14.149
6 H SER 2 H SER 2 36.396 6.636 15.500
7 HA SER 2 HA SER 2 35.928 5.313 12.969
8 HG SER 2 HG SER 2 38.038 3.775 16.094
9 HB2 SER 2 HB2 SER 2 37.139 3.408 14.071
10 HB3 SER 2 HB3 SER 2 38.057 4.913 14.032
11 HA PRO 3 HA PRO 3 32.232 3.451 14.706
12 HB2 PRO 3 HB2 PRO 3 30.886 3.312 12.389
13 HB3 PRO 3 HB3 PRO 3 31.127 4.846 13.227
14 HG2 PRO 3 HG2 PRO 3 32.357 3.864 10.739
15 HG3 PRO 3 HG3 PRO 3 32.178 5.524 11.326
16 HD2 PRO 3 HD2 PRO 3 34.486 3.784 11.498
17 HD3 PRO 3 HD3 PRO 3 34.352 5.488 11.971
18 HA PRO 4 HA PRO 4 32.821 -0.803 13.618
19 HB2 PRO 4 HB2 PRO 4 30.418 -1.874 14.058
20 HB3 PRO 4 HB3 PRO 4 31.376 -1.191 15.378
21 HG2 PRO 4 HG2 PRO 4 29.047 -0.017 13.921
22 HG3 PRO 4 HG3 PRO 4 29.441 0.054 15.647
23 HD2 PRO 4 HD2 PRO 4 29.946 2.076 13.824
24 HD3 PRO 4 HD3 PRO 4 30.784 1.879 15.375
25 H GLU 5 H GLU 5 32.180 0.941 11.309
26 HA GLU 5 HA GLU 5 30.722 -0.995 9.638
27 HB2 GLU 5 HB2 GLU 5 31.164 1.702 8.544
28 HB3 GLU 5 HB3 GLU 5 29.721 0.699 8.519
29 HG2 GLU 5 HG2 GLU 5 30.668 2.196 10.943
30 HG3 GLU 5 HG3 GLU 5 29.505 2.837 9.785
31 H ALA 6 H ALA 6 33.572 -0.968 10.442
32 HA ALA 6 HA ALA 6 35.572 -1.511 9.490
33 HB1 ALA 6 HB1 ALA 6 35.635 -2.405 7.332
34 HB2 ALA 6 HB2 ALA 6 34.307 -1.388 6.773
35 HB3 ALA 6 HB3 ALA 6 33.989 -2.725 7.878
36 H ASP 7 H ASP 7 36.001 0.772 10.216
37 HA ASP 7 HA ASP 7 36.410 2.596 7.957
38 HB2 ASP 7 HB2 ASP 7 35.211 3.772 9.555
39 HB3 ASP 7 HB3 ASP 7 36.059 3.019 10.897
40 HA PRO 8 HA PRO 8 40.765 2.766 9.914
41 HB2 PRO 8 HB2 PRO 8 41.253 1.599 12.291
42 HB3 PRO 8 HB3 PRO 8 40.548 3.218 12.176
43 HG2 PRO 8 HG2 PRO 8 39.173 0.586 12.619
44 HG3 PRO 8 HG3 PRO 8 38.947 2.119 13.484
45 HD2 PRO 8 HD2 PRO 8 37.273 1.316 11.520
46 HD3 PRO 8 HD3 PRO 8 37.660 3.026 11.797
47 H ARG 9 H ARG 9 38.954 -0.187 10.303
48 HA ARG 9 HA ARG 9 41.078 -2.026 10.248
49 HE ARG 9 HE ARG 9 37.074 -4.461 12.212
50 HB2 ARG 9 HB2 ARG 9 38.176 -2.101 9.966
51 HB3 ARG 9 HB3 ARG 9 38.974 -3.282 8.936
52 HG2 ARG 9 HG2 ARG 9 40.297 -3.783 11.178
53 HG3 ARG 9 HG3 ARG 9 38.822 -3.130 11.891
54 HD2 ARG 9 HD2 ARG 9 38.466 -5.102 9.723
55 HD3 ARG 9 HD3 ARG 9 39.139 -5.719 11.236
56 HH11 ARG 9 HH11 ARG 9 37.199 -6.343 9.273
57 HH12 ARG 9 HH12 ARG 9 35.522 -6.764 9.327
58 HH21 ARG 9 HH21 ARG 9 34.869 -5.021 12.280
59 HH22 ARG 9 HH22 ARG 9 34.200 -6.016 11.030
60 H LEU 10 H LEU 10 38.864 -1.176 7.569
61 HA LEU 10 HA LEU 10 40.472 -2.341 5.582
62 HG LEU 10 HG LEU 10 36.784 -1.759 5.498
63 HB2 LEU 10 HB2 LEU 10 38.361 -0.194 5.370
64 HB3 LEU 10 HB3 LEU 10 39.049 -1.060 4.001
65 HD11 LEU 10 HD11 LEU 10 37.516 -3.990 4.013
66 HD12 LEU 10 HD12 LEU 10 38.235 -2.622 3.163
67 HD13 LEU 10 HD13 LEU 10 36.502 -2.646 3.488
68 HD21 LEU 10 HD21 LEU 10 37.494 -4.122 6.162
69 HD22 LEU 10 HD22 LEU 10 37.942 -2.806 7.245
70 HD23 LEU 10 HD23 LEU 10 39.143 -3.498 6.155
71 H ILE 11 H ILE 11 40.965 0.476 7.349
72 HA ILE 11 HA ILE 11 42.220 2.052 5.314
73 HB ILE 11 HB ILE 11 42.295 2.181 8.324
74 HG12 ILE 11 HG12 ILE 11 40.375 3.023 6.669
75 HG13 ILE 11 HG13 ILE 11 40.797 3.905 8.139
76 HG21 ILE 11 HG21 ILE 11 44.362 3.066 8.064
77 HG22 ILE 11 HG22 ILE 11 43.449 4.509 7.621
78 HG23 ILE 11 HG23 ILE 11 44.100 3.455 6.363
79 HD11 ILE 11 HD11 ILE 11 42.206 4.597 5.614
80 HD12 ILE 11 HD12 ILE 11 41.777 5.615 6.989
81 HD13 ILE 11 HD13 ILE 11 40.538 5.127 5.832
82 H GLU 12 H GLU 12 43.244 -0.330 7.682
83 HA GLU 12 HA GLU 12 46.031 -0.033 7.028
84 HB2 GLU 12 HB2 GLU 12 44.445 -1.704 8.905
85 HB3 GLU 12 HB3 GLU 12 45.999 -2.343 8.388
86 HG2 GLU 12 HG2 GLU 12 46.157 0.440 9.192
87 HG3 GLU 12 HG3 GLU 12 45.554 -0.607 10.476
88 H SER 13 H SER 13 43.523 -2.493 6.478
89 HA SER 13 HA SER 13 45.139 -4.195 4.932
90 HG SER 13 HG SER 13 42.443 -6.246 4.482
91 HB2 SER 13 HB2 SER 13 42.661 -4.433 5.946
92 HB3 SER 13 HB3 SER 13 42.240 -4.008 4.287
93 H LEU 14 H LEU 14 44.035 -1.076 4.324
94 HA LEU 14 HA LEU 14 43.850 -1.401 1.438
95 HG LEU 14 HG LEU 14 41.223 0.943 2.244
96 HB2 LEU 14 HB2 LEU 14 43.196 0.702 3.394
97 HB3 LEU 14 HB3 LEU 14 43.787 1.281 1.840
98 HD11 LEU 14 HD11 LEU 14 41.871 1.700 0.150
99 HD12 LEU 14 HD12 LEU 14 41.066 0.174 -0.217
100 HD13 LEU 14 HD13 LEU 14 42.828 0.257 -0.186
101 HD21 LEU 14 HD21 LEU 14 41.951 -1.594 2.784
102 HD22 LEU 14 HD22 LEU 14 41.604 -1.727 1.059
103 HD23 LEU 14 HD23 LEU 14 40.363 -1.139 2.166
104 H SER 15 H SER 15 46.146 -0.370 3.835
105 HA SER 15 HA SER 15 47.870 1.260 2.495
106 HG SER 15 HG SER 15 50.131 -1.296 3.991
107 HB2 SER 15 HB2 SER 15 49.484 0.696 4.064
108 HB3 SER 15 HB3 SER 15 48.014 0.162 4.878
109 H GLN 16 H GLN 16 47.144 -1.957 1.791
110 HA GLN 16 HA GLN 16 49.503 -2.637 0.312
111 HB2 GLN 16 HB2 GLN 16 47.802 -4.375 -0.730
112 HB3 GLN 16 HB3 GLN 16 48.433 -4.576 0.898
113 HG2 GLN 16 HG2 GLN 16 46.446 -4.083 1.884
114 HG3 GLN 16 HG3 GLN 16 45.915 -3.046 0.559
115 HE21 GLN 16 HE21 GLN 16 44.755 -5.442 2.027
116 HE22 GLN 16 HE22 GLN 16 44.237 -6.495 0.752
117 H MET 17 H MET 17 46.384 -1.243 -0.458
118 HA MET 17 HA MET 17 46.884 -1.205 -3.305
119 HB2 MET 17 HB2 MET 17 44.623 -1.507 -2.738
120 HB3 MET 17 HB3 MET 17 44.658 -0.221 -1.542
121 HG2 MET 17 HG2 MET 17 43.461 0.711 -3.277
122 HG3 MET 17 HG3 MET 17 45.089 1.336 -3.543
123 HE1 MET 17 HE1 MET 17 46.468 0.163 -6.430
124 HE2 MET 17 HE2 MET 17 46.122 1.462 -5.287
125 HE3 MET 17 HE3 MET 17 45.223 1.357 -6.800
126 H LEU 18 H LEU 18 46.095 1.422 -1.022
127 HA LEU 18 HA LEU 18 46.672 3.618 -2.468
128 HG LEU 18 HG LEU 18 47.021 5.625 0.639
129 HB2 LEU 18 HB2 LEU 18 46.064 3.487 0.001
130 HB3 LEU 18 HB3 LEU 18 47.787 3.316 0.316
131 HD11 LEU 18 HD11 LEU 18 48.774 6.697 -0.534
132 HD12 LEU 18 HD12 LEU 18 48.762 5.477 -1.809
133 HD13 LEU 18 HD13 LEU 18 49.329 5.059 -0.192
134 HD21 LEU 18 HD21 LEU 18 45.439 6.406 -0.716
135 HD22 LEU 18 HD22 LEU 18 45.726 5.127 -1.895
136 HD23 LEU 18 HD23 LEU 18 46.694 6.599 -1.940
137 H SER 19 H SER 19 49.167 2.181 -0.421
138 HA SER 19 HA SER 19 51.390 3.459 -1.214
139 HG SER 19 HG SER 19 50.370 0.207 -1.404
140 HB2 SER 19 HB2 SER 19 52.688 1.469 -0.650
141 HB3 SER 19 HB3 SER 19 51.355 1.676 0.485
142 H MET 20 H MET 20 49.553 1.394 -3.313
143 HA MET 20 HA MET 20 51.790 1.248 -5.201
144 HB2 MET 20 HB2 MET 20 50.786 -0.585 -6.185
145 HB3 MET 20 HB3 MET 20 50.296 -0.773 -4.508
146 HG2 MET 20 HG2 MET 20 48.185 -0.823 -5.133
147 HG3 MET 20 HG3 MET 20 48.334 0.809 -5.792
148 HE1 MET 20 HE1 MET 20 48.104 1.477 -7.737
149 HE2 MET 20 HE2 MET 20 47.391 0.542 -9.051
150 HE3 MET 20 HE3 MET 20 49.127 0.854 -9.033
151 H GLY 21 H GLY 21 49.724 3.520 -4.534
152 HA2 GLY 21 HA2 GLY 21 49.618 5.358 -6.153
153 HA3 GLY 21 HA3 GLY 21 49.187 4.163 -7.366
154 H PHE 22 H PHE 22 47.503 2.918 -5.069
155 HA PHE 22 HA PHE 22 45.351 2.987 -4.331
156 HD1 PHE 22 HD2 PHE 22 42.858 5.169 -5.454
157 HD2 PHE 22 HD1 PHE 22 46.411 7.466 -4.993
158 HE1 PHE 22 HE2 PHE 22 41.889 6.943 -6.862
159 HE2 PHE 22 HE1 PHE 22 45.448 9.247 -6.398
160 HZ PHE 22 HZ PHE 22 43.185 8.984 -7.335
161 HB2 PHE 22 HB2 PHE 22 44.603 4.936 -3.455
162 HB3 PHE 22 HB3 PHE 22 46.218 5.506 -3.849
163 H SER 23 H SER 23 43.358 2.646 -5.201
164 HA SER 23 HA SER 23 42.052 3.692 -7.285
165 HG SER 23 HG SER 23 43.294 3.696 -10.091
166 HB2 SER 23 HB2 SER 23 44.384 2.135 -8.271
167 HB3 SER 23 HB3 SER 23 42.853 1.894 -9.121
168 H ASP 24 H ASP 24 40.127 2.758 -7.175
169 HA ASP 24 HA ASP 24 39.980 -0.143 -6.787
170 HB2 ASP 24 HB2 ASP 24 38.311 0.017 -5.083
171 HB3 ASP 24 HB3 ASP 24 39.648 1.060 -4.590
172 H GLU 25 H GLU 25 39.187 -0.694 -8.755
173 HA GLU 25 HA GLU 25 36.693 0.623 -9.595
174 HB2 GLU 25 HB2 GLU 25 39.194 0.407 -10.971
175 HB3 GLU 25 HB3 GLU 25 37.988 -0.520 -11.846
176 HG2 GLU 25 HG2 GLU 25 37.961 2.404 -11.180
177 HG3 GLU 25 HG3 GLU 25 37.961 1.642 -12.770
178 H GLY 26 H GLY 26 36.328 -1.450 -7.992
179 HA2 GLY 26 HA2 GLY 26 35.595 -3.636 -7.802
180 HA3 GLY 26 HA3 GLY 26 34.715 -3.223 -9.275
181 H GLY 27 H GLY 27 38.193 -3.290 -9.159
182 HA2 GLY 27 HA2 GLY 27 38.150 -5.535 -11.057
183 HA3 GLY 27 HA3 GLY 27 39.452 -4.368 -10.883
184 H TRP 28 H TRP 28 40.775 -4.496 -8.929
185 HA TRP 28 HA TRP 28 40.938 -7.269 -7.964
186 HD1 TRP 28 HD1 TRP 28 42.285 -4.109 -10.185
187 HE1 TRP 28 HE1 TRP 28 43.643 -1.961 -9.754
188 HE3 TRP 28 HE3 TRP 28 44.878 -5.600 -6.039
189 HZ2 TRP 28 HZ2 TRP 28 45.551 -1.026 -7.911
190 HZ3 TRP 28 HZ3 TRP 28 46.453 -4.018 -5.002
191 HH2 TRP 28 HH2 TRP 28 46.783 -1.779 -5.919
192 HB2 TRP 28 HB2 TRP 28 43.364 -6.735 -7.522
193 HB3 TRP 28 HB3 TRP 28 42.897 -6.744 -9.226
194 H LEU 29 H LEU 29 42.009 -4.047 -6.807
195 HA LEU 29 HA LEU 29 42.258 -4.520 -4.165
196 HG LEU 29 HG LEU 29 42.817 -1.184 -3.537
197 HB2 LEU 29 HB2 LEU 29 42.517 -2.318 -5.446
198 HB3 LEU 29 HB3 LEU 29 40.802 -2.071 -5.135
199 HD11 LEU 29 HD11 LEU 29 40.490 -0.452 -3.514
200 HD12 LEU 29 HD12 LEU 29 41.091 -0.757 -1.884
201 HD13 LEU 29 HD13 LEU 29 40.033 -1.931 -2.667
202 HD21 LEU 29 HD21 LEU 29 43.472 -3.398 -2.811
203 HD22 LEU 29 HD22 LEU 29 41.815 -3.757 -2.325
204 HD23 LEU 29 HD23 LEU 29 42.736 -2.521 -1.470
205 H THR 30 H THR 30 39.191 -3.505 -5.672
206 HA THR 30 HA THR 30 37.597 -3.795 -3.383
207 HB THR 30 HB THR 30 37.031 -3.821 -6.333
208 HG1 THR 30 HG1 THR 30 35.694 -1.996 -5.516
209 HG21 THR 30 HG21 THR 30 34.571 -3.564 -5.049
210 HG22 THR 30 HG22 THR 30 35.318 -5.010 -4.371
211 HG23 THR 30 HG23 THR 30 35.100 -4.866 -6.115
212 H ARG 31 H ARG 31 37.894 -5.984 -6.156
213 HA ARG 31 HA ARG 31 36.463 -8.125 -5.331
214 HE ARG 31 HE ARG 31 39.115 -11.708 -7.464
215 HB2 ARG 31 HB2 ARG 31 37.342 -9.079 -7.150
216 HB3 ARG 31 HB3 ARG 31 38.339 -7.644 -7.324
217 HG2 ARG 31 HG2 ARG 31 40.108 -8.740 -6.009
218 HG3 ARG 31 HG3 ARG 31 39.109 -10.190 -5.906
219 HD2 ARG 31 HD2 ARG 31 39.332 -9.302 -8.637
220 HD3 ARG 31 HD3 ARG 31 40.932 -9.511 -7.918
221 HH11 ARG 31 HH11 ARG 31 41.535 -10.341 -9.563
222 HH12 ARG 31 HH12 ARG 31 41.970 -11.862 -10.270
223 HH21 ARG 31 HH21 ARG 31 39.676 -13.719 -8.392
224 HH22 ARG 31 HH22 ARG 31 40.911 -13.782 -9.606
225 H LEU 32 H LEU 32 39.412 -7.007 -3.879
226 HA LEU 32 HA LEU 32 39.716 -9.506 -2.418
227 HG LEU 32 HG LEU 32 41.180 -6.168 -1.552
228 HB2 LEU 32 HB2 LEU 32 41.886 -9.023 -2.216
229 HB3 LEU 32 HB3 LEU 32 41.582 -7.817 -3.446
230 HD11 LEU 32 HD11 LEU 32 41.236 -8.410 0.027
231 HD12 LEU 32 HD12 LEU 32 41.403 -6.747 0.592
232 HD13 LEU 32 HD13 LEU 32 42.840 -7.717 0.268
233 HD21 LEU 32 HD21 LEU 32 43.170 -5.933 -2.752
234 HD22 LEU 32 HD22 LEU 32 43.840 -7.432 -2.107
235 HD23 LEU 32 HD23 LEU 32 43.673 -6.017 -1.065
236 H LEU 33 H LEU 33 39.405 -6.041 -1.642
237 HA LEU 33 HA LEU 33 39.120 -6.425 1.122
238 HG LEU 33 HG LEU 33 36.858 -4.294 -0.966
239 HB2 LEU 33 HB2 LEU 33 38.910 -4.196 1.238
240 HB3 LEU 33 HB3 LEU 33 39.353 -4.248 -0.461
241 HD11 LEU 33 HD11 LEU 33 35.954 -2.929 1.305
242 HD12 LEU 33 HD12 LEU 33 36.790 -4.362 1.904
243 HD13 LEU 33 HD13 LEU 33 35.467 -4.532 0.749
244 HD21 LEU 33 HD21 LEU 33 38.239 -1.941 0.300
245 HD22 LEU 33 HD22 LEU 33 36.651 -1.812 -0.459
246 HD23 LEU 33 HD23 LEU 33 38.048 -2.308 -1.415
247 H GLN 34 H GLN 34 36.694 -6.136 -1.435
248 HA GLN 34 HA GLN 34 34.353 -6.095 -0.162
249 HB2 GLN 34 HB2 GLN 34 33.625 -6.382 -2.229
250 HB3 GLN 34 HB3 GLN 34 35.244 -6.846 -2.719
251 HG2 GLN 34 HG2 GLN 34 33.334 -8.859 -1.583
252 HG3 GLN 34 HG3 GLN 34 33.270 -8.386 -3.282
253 HE21 GLN 34 HE21 GLN 34 36.239 -8.572 -1.429
254 HE22 GLN 34 HE22 GLN 34 36.895 -9.940 -2.267
255 H THR 35 H THR 35 36.555 -8.632 0.444
256 HA THR 35 HA THR 35 35.298 -10.936 0.749
257 HB THR 35 HB THR 35 37.429 -10.872 1.669
258 HG1 THR 35 HG1 THR 35 37.038 -11.969 3.413
259 HG21 THR 35 HG21 THR 35 37.837 -8.622 2.134
260 HG22 THR 35 HG22 THR 35 37.958 -9.436 3.693
261 HG23 THR 35 HG23 THR 35 36.504 -8.526 3.283
262 H LYS 36 H LYS 36 34.457 -8.035 2.574
263 HA LYS 36 HA LYS 36 32.502 -9.556 4.140
264 HB2 LYS 36 HB2 LYS 36 33.699 -6.827 4.370
265 HB3 LYS 36 HB3 LYS 36 32.161 -7.167 5.156
266 HG2 LYS 36 HG2 LYS 36 34.216 -7.423 6.580
267 HG3 LYS 36 HG3 LYS 36 33.123 -8.808 6.545
268 HD2 LYS 36 HD2 LYS 36 34.566 -9.886 4.874
269 HD3 LYS 36 HD3 LYS 36 35.669 -8.510 4.953
270 HE2 LYS 36 HE2 LYS 36 36.409 -9.056 7.070
271 HE3 LYS 36 HE3 LYS 36 34.948 -9.962 7.458
272 HZ1 LYS 36 HZ1 LYS 36 36.735 -10.938 5.337
273 HZ2 LYS 36 HZ2 LYS 36 35.688 -11.808 6.339
274 HZ3 LYS 36 HZ3 LYS 36 37.144 -11.209 6.957
275 H ASN 37 H ASN 37 32.670 -7.382 1.458
276 HA ASN 37 HA ASN 37 30.964 -7.143 -0.121
277 HB2 ASN 37 HB2 ASN 37 28.971 -7.352 2.147
278 HB3 ASN 37 HB3 ASN 37 28.635 -7.381 0.412
279 HD21 ASN 37 HD21 ASN 37 31.015 -9.075 -0.070
280 HD22 ASN 37 HD22 ASN 37 30.540 -10.675 0.419
281 H TYR 38 H TYR 38 32.447 -5.387 1.769
282 HA TYR 38 HA TYR 38 30.699 -3.056 1.514
283 HD1 TYR 38 HD1 TYR 38 33.943 -4.358 2.166
284 HD2 TYR 38 HD2 TYR 38 32.272 -3.519 5.990
285 HE1 TYR 38 HE1 TYR 38 35.855 -5.462 3.235
286 HE2 TYR 38 HE2 TYR 38 34.183 -4.626 7.069
287 HH TYR 38 HH TYR 38 36.245 -6.647 5.537
288 HB2 TYR 38 HB2 TYR 38 31.898 -2.104 3.507
289 HB3 TYR 38 HB3 TYR 38 30.887 -3.502 3.851
290 H ASP 39 H ASP 39 32.417 -3.844 -0.539
291 HA ASP 39 HA ASP 39 34.858 -2.331 -0.354
292 HB2 ASP 39 HB2 ASP 39 35.294 -3.154 -2.597
293 HB3 ASP 39 HB3 ASP 39 34.733 -4.472 -1.568
294 H ILE 40 H ILE 40 35.481 -0.713 -1.804
295 HA ILE 40 HA ILE 40 35.161 0.977 -3.388
296 HB ILE 40 HB ILE 40 32.732 -0.143 -3.701
297 HG12 ILE 40 HG12 ILE 40 32.258 1.715 -5.299
298 HG13 ILE 40 HG13 ILE 40 33.609 2.609 -4.590
299 HG21 ILE 40 HG21 ILE 40 31.878 1.084 -1.680
300 HG22 ILE 40 HG22 ILE 40 30.954 1.340 -3.159
301 HG23 ILE 40 HG23 ILE 40 32.077 2.578 -2.595
302 HD11 ILE 40 HD11 ILE 40 33.620 0.228 -6.361
303 HD12 ILE 40 HD12 ILE 40 34.923 0.408 -5.186
304 HD13 ILE 40 HD13 ILE 40 34.638 1.668 -6.387
305 H GLY 41 H GLY 41 33.235 0.948 -0.410
306 HA2 GLY 41 HA2 GLY 41 33.728 3.773 0.021
307 HA3 GLY 41 HA3 GLY 41 32.798 2.705 1.068
308 H ALA 42 H ALA 42 34.559 0.734 1.558
309 HA ALA 42 HA ALA 42 36.172 1.824 3.600
310 HB1 ALA 42 HB1 ALA 42 36.789 -0.371 4.114
311 HB2 ALA 42 HB2 ALA 42 36.596 -0.915 2.447
312 HB3 ALA 42 HB3 ALA 42 35.176 -0.534 3.421
313 H ALA 43 H ALA 43 36.759 1.085 0.268
314 HA ALA 43 HA ALA 43 39.628 1.179 0.467
315 HB1 ALA 43 HB1 ALA 43 39.675 0.598 -1.756
316 HB2 ALA 43 HB2 ALA 43 38.181 1.458 -2.126
317 HB3 ALA 43 HB3 ALA 43 38.124 -0.080 -1.263
318 H LEU 44 H LEU 44 37.289 3.186 -1.348
319 HA LEU 44 HA LEU 44 38.873 5.242 -2.116
320 HG LEU 44 HG LEU 44 36.936 6.642 -3.660
321 HB2 LEU 44 HB2 LEU 44 36.029 5.033 -1.324
322 HB3 LEU 44 HB3 LEU 44 36.692 6.662 -1.377
323 HD11 LEU 44 HD11 LEU 44 36.707 4.087 -4.678
324 HD12 LEU 44 HD12 LEU 44 37.694 3.872 -3.234
325 HD13 LEU 44 HD13 LEU 44 38.199 5.006 -4.487
326 HD21 LEU 44 HD21 LEU 44 34.718 6.562 -3.887
327 HD22 LEU 44 HD22 LEU 44 34.560 5.250 -2.719
328 HD23 LEU 44 HD23 LEU 44 34.946 4.890 -4.402
329 H ASP 45 H ASP 45 37.596 4.675 1.109
330 HA ASP 45 HA ASP 45 37.967 6.947 2.472
331 HB2 ASP 45 HB2 ASP 45 38.775 4.151 3.258
332 HB3 ASP 45 HB3 ASP 45 38.859 5.501 4.383
333 H THR 46 H THR 46 40.661 4.623 2.088
334 HA THR 46 HA THR 46 42.526 6.802 2.636
335 HB THR 46 HB THR 46 42.989 4.837 3.900
336 HG1 THR 46 HG1 THR 46 44.991 5.226 3.492
337 HG21 THR 46 HG21 THR 46 43.222 3.251 1.361
338 HG22 THR 46 HG22 THR 46 41.816 3.216 2.425
339 HG23 THR 46 HG23 THR 46 43.383 2.674 3.019
340 H ILE 47 H ILE 47 41.887 4.399 0.118
341 HA ILE 47 HA ILE 47 43.919 5.424 -1.627
342 HB ILE 47 HB ILE 47 43.046 3.917 -3.291
343 HG12 ILE 47 HG12 ILE 47 40.900 2.748 -1.696
344 HG13 ILE 47 HG13 ILE 47 40.581 4.424 -2.128
345 HG21 ILE 47 HG21 ILE 47 44.413 2.747 -1.835
346 HG22 ILE 47 HG22 ILE 47 42.937 1.782 -1.835
347 HG23 ILE 47 HG23 ILE 47 43.272 2.878 -0.497
348 HD11 ILE 47 HD11 ILE 47 41.370 2.325 -4.125
349 HD12 ILE 47 HD12 ILE 47 40.738 3.943 -4.442
350 HD13 ILE 47 HD13 ILE 47 39.698 2.714 -3.721
351 H GLN 48 H GLN 48 42.023 7.446 -0.714
352 HA GLN 48 HA GLN 48 41.435 8.627 -3.262
353 HB2 GLN 48 HB2 GLN 48 39.444 7.033 -2.319
354 HB3 GLN 48 HB3 GLN 48 39.000 8.571 -1.596
355 HG2 GLN 48 HG2 GLN 48 37.857 8.312 -3.683
356 HG3 GLN 48 HG3 GLN 48 39.046 9.605 -3.827
357 HE21 GLN 48 HE21 GLN 48 39.592 6.114 -3.931
358 HE22 GLN 48 HE22 GLN 48 40.189 6.083 -5.558
359 H TYR 49 H TYR 49 41.002 10.848 -3.135
360 HA TYR 49 HA TYR 49 40.637 12.192 -0.640
361 HD1 TYR 49 HD2 TYR 49 43.489 9.852 -1.161
362 HD2 TYR 49 HD1 TYR 49 44.186 13.573 -3.101
363 HE1 TYR 49 HE2 TYR 49 45.124 8.767 -2.641
364 HE2 TYR 49 HE1 TYR 49 45.825 12.499 -4.588
365 HH TYR 49 HH TYR 49 46.713 10.552 -5.255
366 HB2 TYR 49 HB2 TYR 49 42.898 13.520 -1.139
367 HB3 TYR 49 HB3 TYR 49 42.868 12.080 -0.115
368 H SER 50 H SER 50 38.924 13.159 -1.715
369 HA SER 50 HA SER 50 37.873 14.776 -2.908
370 HG SER 50 HG SER 50 38.633 17.226 -1.886
371 HB2 SER 50 HB2 SER 50 40.704 15.804 -3.047
372 HB3 SER 50 HB3 SER 50 39.360 16.664 -3.799
373 H LYS 51 H LYS 51 40.405 15.523 -5.098
374 HA LYS 51 HA LYS 51 40.180 13.459 -6.966
375 HB2 LYS 51 HB2 LYS 51 38.055 15.526 -7.072
376 HB3 LYS 51 HB3 LYS 51 38.783 15.069 -8.606
377 HG2 LYS 51 HG2 LYS 51 38.314 12.630 -7.583
378 HG3 LYS 51 HG3 LYS 51 37.009 13.541 -6.816
379 HD2 LYS 51 HD2 LYS 51 36.980 14.414 -9.441
380 HD3 LYS 51 HD3 LYS 51 37.309 12.685 -9.573
381 HE2 LYS 51 HE2 LYS 51 35.358 12.527 -7.810
382 HE3 LYS 51 HE3 LYS 51 34.920 14.094 -8.489
383 HZ1 LYS 51 HZ1 LYS 51 33.768 12.670 -9.839
384 HZ2 LYS 51 HZ2 LYS 51 34.940 11.454 -9.775
385 HZ3 LYS 51 HZ3 LYS 51 35.199 12.828 -10.728
386 H HIS 52 H HIS 52 41.999 13.670 -8.090
387 HA HIS 52 HA HIS 52 43.265 16.276 -8.312
388 HD1 HIS 52 HD1 HIS 52 46.364 14.929 -10.665
389 HD2 HIS 52 HD2 HIS 52 45.783 16.311 -6.791
390 HE1 HIS 52 HE1 HIS 52 48.302 16.473 -10.164
391 HB2 HIS 52 HB2 HIS 52 44.385 13.954 -7.751
392 HB3 HIS 52 HB3 HIS 52 44.434 13.794 -9.508
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 35.756 12.676 7.603
2 H2 GLY 1 2H GLY 1 36.657 12.455 9.017
3 H3 GLY 1 3H GLY 1 35.264 13.416 9.043
4 HA2 GLY 1 HA2 GLY 1 34.290 11.578 9.850
5 HA3 GLY 1 HA3 GLY 1 34.208 11.159 8.145
6 H SER 2 H SER 2 34.362 9.431 10.510
7 HA SER 2 HA SER 2 36.928 8.085 9.989
8 HG SER 2 HG SER 2 34.949 8.193 13.520
9 HB2 SER 2 HB2 SER 2 36.123 6.859 12.221
10 HB3 SER 2 HB3 SER 2 36.994 8.392 12.268
11 HA PRO 3 HA PRO 3 34.859 4.692 8.096
12 HB2 PRO 3 HB2 PRO 3 36.381 2.596 8.996
13 HB3 PRO 3 HB3 PRO 3 36.872 3.684 7.694
14 HG2 PRO 3 HG2 PRO 3 37.654 3.708 10.580
15 HG3 PRO 3 HG3 PRO 3 38.654 3.996 9.144
16 HD2 PRO 3 HD2 PRO 3 37.734 6.012 10.685
17 HD3 PRO 3 HD3 PRO 3 37.935 6.181 8.929
18 HA PRO 4 HA PRO 4 32.078 2.635 10.818
19 HB2 PRO 4 HB2 PRO 4 32.684 -0.031 9.732
20 HB3 PRO 4 HB3 PRO 4 31.193 0.910 9.630
21 HG2 PRO 4 HG2 PRO 4 32.765 0.526 7.487
22 HG3 PRO 4 HG3 PRO 4 31.877 2.041 7.737
23 HD2 PRO 4 HD2 PRO 4 34.770 1.436 8.241
24 HD3 PRO 4 HD3 PRO 4 34.032 2.879 7.511
25 H GLU 5 H GLU 5 34.484 2.995 12.148
26 HA GLU 5 HA GLU 5 35.649 2.302 13.965
27 HB2 GLU 5 HB2 GLU 5 33.057 1.054 14.163
28 HB3 GLU 5 HB3 GLU 5 34.287 0.005 14.854
29 HG2 GLU 5 HG2 GLU 5 34.973 2.411 15.918
30 HG3 GLU 5 HG3 GLU 5 33.218 2.554 15.818
31 H ALA 6 H ALA 6 35.788 0.880 11.202
32 HA ALA 6 HA ALA 6 37.486 -1.343 12.113
33 HB1 ALA 6 HB1 ALA 6 35.535 -2.237 10.993
34 HB2 ALA 6 HB2 ALA 6 36.959 -2.478 9.980
35 HB3 ALA 6 HB3 ALA 6 35.815 -1.189 9.603
36 H ASP 7 H ASP 7 38.547 1.142 11.991
37 HA ASP 7 HA ASP 7 39.585 2.034 9.577
38 HB2 ASP 7 HB2 ASP 7 40.131 2.457 12.406
39 HB3 ASP 7 HB3 ASP 7 41.601 2.520 11.439
40 HA PRO 8 HA PRO 8 43.483 -0.747 10.404
41 HB2 PRO 8 HB2 PRO 8 43.021 -2.841 12.132
42 HB3 PRO 8 HB3 PRO 8 43.796 -1.323 12.593
43 HG2 PRO 8 HG2 PRO 8 40.973 -2.208 12.982
44 HG3 PRO 8 HG3 PRO 8 42.019 -1.276 14.069
45 HD2 PRO 8 HD2 PRO 8 40.083 -0.126 12.581
46 HD3 PRO 8 HD3 PRO 8 41.598 0.710 12.973
47 H ARG 9 H ARG 9 40.342 -2.346 10.837
48 HA ARG 9 HA ARG 9 40.955 -4.627 9.308
49 HE ARG 9 HE ARG 9 36.187 -4.418 11.199
50 HB2 ARG 9 HB2 ARG 9 38.582 -3.449 10.527
51 HB3 ARG 9 HB3 ARG 9 38.227 -4.308 9.032
52 HG2 ARG 9 HG2 ARG 9 38.945 -6.336 9.874
53 HG3 ARG 9 HG3 ARG 9 39.918 -5.584 11.138
54 HD2 ARG 9 HD2 ARG 9 37.776 -6.705 11.889
55 HD3 ARG 9 HD3 ARG 9 38.021 -5.039 12.420
56 HH11 ARG 9 HH11 ARG 9 37.213 -7.583 10.165
57 HH12 ARG 9 HH12 ARG 9 35.814 -7.856 9.182
58 HH21 ARG 9 HH21 ARG 9 34.337 -4.775 9.916
59 HH22 ARG 9 HH22 ARG 9 34.178 -6.263 9.043
60 H LEU 10 H LEU 10 38.890 -1.860 8.352
61 HA LEU 10 HA LEU 10 38.845 -2.646 5.624
62 HG LEU 10 HG LEU 10 36.221 -1.665 5.176
63 HB2 LEU 10 HB2 LEU 10 37.273 -1.109 7.138
64 HB3 LEU 10 HB3 LEU 10 38.240 0.152 6.383
65 HD11 LEU 10 HD11 LEU 10 35.259 0.250 4.553
66 HD12 LEU 10 HD12 LEU 10 36.790 0.979 4.066
67 HD13 LEU 10 HD13 LEU 10 36.313 0.980 5.764
68 HD21 LEU 10 HD21 LEU 10 37.922 -2.352 3.765
69 HD22 LEU 10 HD22 LEU 10 38.757 -0.801 3.848
70 HD23 LEU 10 HD23 LEU 10 37.266 -0.951 2.918
71 H ILE 11 H ILE 11 40.065 0.445 6.937
72 HA ILE 11 HA ILE 11 41.417 1.241 4.669
73 HB ILE 11 HB ILE 11 42.013 1.907 7.544
74 HG12 ILE 11 HG12 ILE 11 40.461 3.269 5.336
75 HG13 ILE 11 HG13 ILE 11 39.840 2.668 6.878
76 HG21 ILE 11 HG21 ILE 11 43.112 3.960 6.369
77 HG22 ILE 11 HG22 ILE 11 43.279 2.849 5.009
78 HG23 ILE 11 HG23 ILE 11 44.025 2.462 6.560
79 HD11 ILE 11 HD11 ILE 11 39.997 4.810 7.493
80 HD12 ILE 11 HD12 ILE 11 41.162 5.198 6.226
81 HD13 ILE 11 HD13 ILE 11 41.706 4.438 7.722
82 H GLU 12 H GLU 12 42.891 -0.361 7.513
83 HA GLU 12 HA GLU 12 45.469 -0.417 6.503
84 HB2 GLU 12 HB2 GLU 12 44.379 -1.251 8.828
85 HB3 GLU 12 HB3 GLU 12 44.690 -2.802 8.058
86 HG2 GLU 12 HG2 GLU 12 46.635 -2.484 9.210
87 HG3 GLU 12 HG3 GLU 12 47.059 -1.795 7.644
88 H SER 13 H SER 13 43.001 -2.953 6.169
89 HA SER 13 HA SER 13 44.322 -4.888 4.872
90 HG SER 13 HG SER 13 41.375 -5.171 2.645
91 HB2 SER 13 HB2 SER 13 41.967 -5.134 5.065
92 HB3 SER 13 HB3 SER 13 41.662 -3.662 4.142
93 H LEU 14 H LEU 14 43.698 -1.666 3.603
94 HA LEU 14 HA LEU 14 44.528 -2.267 0.941
95 HG LEU 14 HG LEU 14 42.870 -0.452 -0.228
96 HB2 LEU 14 HB2 LEU 14 43.972 0.240 2.474
97 HB3 LEU 14 HB3 LEU 14 44.754 0.336 0.900
98 HD11 LEU 14 HD11 LEU 14 42.446 -2.426 1.103
99 HD12 LEU 14 HD12 LEU 14 40.952 -1.512 0.892
100 HD13 LEU 14 HD13 LEU 14 41.826 -1.434 2.423
101 HD21 LEU 14 HD21 LEU 14 41.301 1.146 0.219
102 HD22 LEU 14 HD22 LEU 14 42.655 1.792 1.148
103 HD23 LEU 14 HD23 LEU 14 41.376 0.891 1.964
104 H SER 15 H SER 15 46.207 -1.306 3.827
105 HA SER 15 HA SER 15 48.449 -0.072 3.148
106 HG SER 15 HG SER 15 50.096 -2.682 5.340
107 HB2 SER 15 HB2 SER 15 48.499 -0.761 5.349
108 HB3 SER 15 HB3 SER 15 48.009 -2.407 4.951
109 H GLN 16 H GLN 16 47.633 -3.305 2.184
110 HA GLN 16 HA GLN 16 49.966 -4.369 1.269
111 HB2 GLN 16 HB2 GLN 16 48.384 -5.044 -0.817
112 HB3 GLN 16 HB3 GLN 16 48.322 -5.835 0.749
113 HG2 GLN 16 HG2 GLN 16 46.251 -5.148 1.112
114 HG3 GLN 16 HG3 GLN 16 46.639 -3.486 0.680
115 HE21 GLN 16 HE21 GLN 16 44.208 -4.339 0.027
116 HE22 GLN 16 HE22 GLN 16 44.081 -4.639 -1.672
117 H MET 17 H MET 17 47.828 -2.678 -1.019
118 HA MET 17 HA MET 17 50.142 -1.955 -2.614
119 HB2 MET 17 HB2 MET 17 48.735 -1.936 -4.365
120 HB3 MET 17 HB3 MET 17 47.581 -2.687 -3.277
121 HG2 MET 17 HG2 MET 17 47.775 0.295 -3.567
122 HG3 MET 17 HG3 MET 17 46.801 -0.696 -4.654
123 HE1 MET 17 HE1 MET 17 44.626 -0.620 -4.495
124 HE2 MET 17 HE2 MET 17 43.572 -0.670 -3.082
125 HE3 MET 17 HE3 MET 17 44.424 -2.125 -3.599
126 H LEU 18 H LEU 18 47.634 -0.387 -0.695
127 HA LEU 18 HA LEU 18 47.850 2.225 -1.264
128 HG LEU 18 HG LEU 18 48.770 2.356 2.304
129 HB2 LEU 18 HB2 LEU 18 46.424 1.929 0.464
130 HB3 LEU 18 HB3 LEU 18 47.429 0.703 1.225
131 HD11 LEU 18 HD11 LEU 18 48.097 3.985 0.135
132 HD12 LEU 18 HD12 LEU 18 49.126 4.398 1.503
133 HD13 LEU 18 HD13 LEU 18 47.403 4.771 1.551
134 HD21 LEU 18 HD21 LEU 18 45.825 2.593 2.450
135 HD22 LEU 18 HD22 LEU 18 46.775 3.827 3.278
136 HD23 LEU 18 HD23 LEU 18 46.990 2.125 3.690
137 H SER 19 H SER 19 50.364 0.256 0.131
138 HA SER 19 HA SER 19 52.047 2.222 1.165
139 HG SER 19 HG SER 19 51.869 -0.808 -0.653
140 HB2 SER 19 HB2 SER 19 53.887 0.609 0.752
141 HB3 SER 19 HB3 SER 19 52.489 -0.153 1.507
142 H MET 20 H MET 20 51.031 1.746 -2.020
143 HA MET 20 HA MET 20 53.337 3.162 -3.159
144 HB2 MET 20 HB2 MET 20 51.213 1.381 -4.252
145 HB3 MET 20 HB3 MET 20 51.818 2.649 -5.306
146 HG2 MET 20 HG2 MET 20 54.140 1.760 -4.783
147 HG3 MET 20 HG3 MET 20 53.318 0.352 -4.095
148 HE1 MET 20 HE1 MET 20 55.345 -0.306 -6.270
149 HE2 MET 20 HE2 MET 20 54.412 -1.328 -7.363
150 HE3 MET 20 HE3 MET 20 54.209 -1.488 -5.617
151 H GLY 21 H GLY 21 49.846 3.293 -2.735
152 HA2 GLY 21 HA2 GLY 21 48.800 5.425 -2.235
153 HA3 GLY 21 HA3 GLY 21 49.938 6.180 -3.341
154 H PHE 22 H PHE 22 47.974 3.259 -3.789
155 HA PHE 22 HA PHE 22 46.373 4.649 -5.811
156 HD1 PHE 22 HD2 PHE 22 45.917 3.945 -8.668
157 HD2 PHE 22 HD1 PHE 22 46.881 0.355 -6.597
158 HE1 PHE 22 HE2 PHE 22 44.377 2.694 -10.126
159 HE2 PHE 22 HE1 PHE 22 45.346 -0.902 -8.049
160 HZ PHE 22 HZ PHE 22 44.089 0.268 -9.817
161 HB2 PHE 22 HB2 PHE 22 47.948 3.736 -7.259
162 HB3 PHE 22 HB3 PHE 22 48.182 2.303 -6.266
163 H SER 23 H SER 23 44.305 4.026 -5.899
164 HA SER 23 HA SER 23 43.505 1.690 -4.275
165 HG SER 23 HG SER 23 42.515 3.474 -2.215
166 HB2 SER 23 HB2 SER 23 41.960 4.242 -4.787
167 HB3 SER 23 HB3 SER 23 41.373 2.859 -3.866
168 H ASP 24 H ASP 24 40.905 1.484 -4.979
169 HA ASP 24 HA ASP 24 41.054 0.375 -7.616
170 HB2 ASP 24 HB2 ASP 24 39.729 -0.564 -5.616
171 HB3 ASP 24 HB3 ASP 24 38.535 0.686 -5.982
172 H GLU 25 H GLU 25 39.589 0.945 -9.322
173 HA GLU 25 HA GLU 25 38.029 3.288 -9.313
174 HB2 GLU 25 HB2 GLU 25 40.780 3.782 -9.565
175 HB3 GLU 25 HB3 GLU 25 40.125 3.946 -11.189
176 HG2 GLU 25 HG2 GLU 25 38.548 5.597 -10.444
177 HG3 GLU 25 HG3 GLU 25 39.040 5.364 -8.767
178 H GLY 26 H GLY 26 37.941 0.539 -10.178
179 HA2 GLY 26 HA2 GLY 26 36.880 0.990 -12.836
180 HA3 GLY 26 HA3 GLY 26 38.264 -0.103 -12.774
181 H GLY 27 H GLY 27 37.996 -1.783 -10.875
182 HA2 GLY 27 HA2 GLY 27 35.725 -2.711 -9.799
183 HA3 GLY 27 HA3 GLY 27 35.530 -3.193 -11.477
184 H TRP 28 H TRP 28 38.429 -3.161 -9.387
185 HA TRP 28 HA TRP 28 38.659 -6.051 -9.897
186 HD1 TRP 28 HD1 TRP 28 40.474 -2.068 -10.366
187 HE1 TRP 28 HE1 TRP 28 41.987 -0.738 -8.760
188 HE3 TRP 28 HE3 TRP 28 42.299 -5.940 -7.572
189 HZ2 TRP 28 HZ2 TRP 28 43.716 -1.262 -6.595
190 HZ3 TRP 28 HZ3 TRP 28 43.877 -5.440 -5.753
191 HH2 TRP 28 HH2 TRP 28 44.571 -3.148 -5.275
192 HB2 TRP 28 HB2 TRP 28 41.075 -5.818 -9.758
193 HB3 TRP 28 HB3 TRP 28 40.437 -4.714 -10.980
194 H LEU 29 H LEU 29 39.609 -3.543 -7.552
195 HA LEU 29 HA LEU 29 40.212 -5.240 -5.425
196 HG LEU 29 HG LEU 29 41.877 -3.287 -4.532
197 HB2 LEU 29 HB2 LEU 29 40.084 -2.489 -5.837
198 HB3 LEU 29 HB3 LEU 29 38.912 -2.787 -4.557
199 HD11 LEU 29 HD11 LEU 29 39.992 -1.786 -2.719
200 HD12 LEU 29 HD12 LEU 29 41.143 -1.083 -3.856
201 HD13 LEU 29 HD13 LEU 29 41.725 -1.979 -2.452
202 HD21 LEU 29 HD21 LEU 29 39.922 -4.991 -3.404
203 HD22 LEU 29 HD22 LEU 29 40.661 -4.083 -2.084
204 HD23 LEU 29 HD23 LEU 29 41.671 -5.030 -3.177
205 H THR 30 H THR 30 37.158 -3.871 -6.481
206 HA THR 30 HA THR 30 35.366 -4.201 -4.573
207 HB THR 30 HB THR 30 34.602 -5.692 -7.016
208 HG1 THR 30 HG1 THR 30 34.596 -3.661 -8.182
209 HG21 THR 30 HG21 THR 30 33.419 -3.674 -5.227
210 HG22 THR 30 HG22 THR 30 32.687 -5.071 -6.015
211 HG23 THR 30 HG23 THR 30 32.965 -3.587 -6.928
212 H ARG 31 H ARG 31 36.390 -7.012 -6.524
213 HA ARG 31 HA ARG 31 35.000 -8.991 -5.242
214 HE ARG 31 HE ARG 31 34.791 -11.996 -8.508
215 HB2 ARG 31 HB2 ARG 31 37.006 -8.897 -7.137
216 HB3 ARG 31 HB3 ARG 31 37.744 -9.804 -5.822
217 HG2 ARG 31 HG2 ARG 31 36.078 -11.469 -5.905
218 HG3 ARG 31 HG3 ARG 31 35.045 -10.486 -6.946
219 HD2 ARG 31 HD2 ARG 31 37.207 -10.597 -8.501
220 HD3 ARG 31 HD3 ARG 31 37.441 -12.105 -7.611
221 HH11 ARG 31 HH11 ARG 31 38.021 -12.308 -9.778
222 HH12 ARG 31 HH12 ARG 31 37.523 -13.202 -11.175
223 HH21 ARG 31 HH21 ARG 31 34.125 -13.167 -10.342
224 HH22 ARG 31 HH22 ARG 31 35.307 -13.690 -11.496
225 H LEU 32 H LEU 32 38.017 -7.490 -4.228
226 HA LEU 32 HA LEU 32 38.173 -9.210 -1.878
227 HG LEU 32 HG LEU 32 41.039 -9.557 -1.579
228 HB2 LEU 32 HB2 LEU 32 40.160 -8.415 -3.347
229 HB3 LEU 32 HB3 LEU 32 40.018 -6.917 -2.448
230 HD11 LEU 32 HD11 LEU 32 42.681 -7.930 -1.837
231 HD12 LEU 32 HD12 LEU 32 42.367 -7.918 -0.101
232 HD13 LEU 32 HD13 LEU 32 41.676 -6.665 -1.131
233 HD21 LEU 32 HD21 LEU 32 39.025 -9.279 -0.183
234 HD22 LEU 32 HD22 LEU 32 39.630 -7.708 0.342
235 HD23 LEU 32 HD23 LEU 32 40.518 -9.176 0.753
236 H LEU 33 H LEU 33 38.218 -5.712 -2.502
237 HA LEU 33 HA LEU 33 38.025 -4.707 0.007
238 HG LEU 33 HG LEU 33 36.734 -1.500 -1.435
239 HB2 LEU 33 HB2 LEU 33 38.105 -3.525 -2.255
240 HB3 LEU 33 HB3 LEU 33 36.349 -3.628 -2.246
241 HD11 LEU 33 HD11 LEU 33 35.360 -2.947 0.118
242 HD12 LEU 33 HD12 LEU 33 36.029 -1.468 0.807
243 HD13 LEU 33 HD13 LEU 33 36.787 -3.022 1.151
244 HD21 LEU 33 HD21 LEU 33 38.671 -1.946 0.661
245 HD22 LEU 33 HD22 LEU 33 38.700 -0.799 -0.678
246 HD23 LEU 33 HD23 LEU 33 39.288 -2.444 -0.914
247 H GLN 34 H GLN 34 35.377 -6.112 -1.862
248 HA GLN 34 HA GLN 34 33.394 -5.430 0.127
249 HB2 GLN 34 HB2 GLN 34 32.727 -5.532 -2.209
250 HB3 GLN 34 HB3 GLN 34 33.251 -7.207 -2.316
251 HG2 GLN 34 HG2 GLN 34 31.080 -7.644 -1.977
252 HG3 GLN 34 HG3 GLN 34 31.495 -7.384 -0.277
253 HE21 GLN 34 HE21 GLN 34 31.671 -4.739 -0.020
254 HE22 GLN 34 HE22 GLN 34 30.160 -3.968 -0.402
255 H THR 35 H THR 35 35.315 -8.173 -0.764
256 HA THR 35 HA THR 35 34.269 -10.360 0.271
257 HB THR 35 HB THR 35 37.064 -9.434 0.937
258 HG1 THR 35 HG1 THR 35 36.475 -11.159 -1.170
259 HG21 THR 35 HG21 THR 35 36.852 -11.356 2.199
260 HG22 THR 35 HG22 THR 35 37.493 -11.959 0.671
261 HG23 THR 35 HG23 THR 35 35.775 -12.126 1.033
262 H LYS 36 H LYS 36 35.122 -7.606 2.311
263 HA LYS 36 HA LYS 36 34.571 -9.245 4.667
264 HB2 LYS 36 HB2 LYS 36 35.227 -6.729 5.602
265 HB3 LYS 36 HB3 LYS 36 36.297 -8.123 5.505
266 HG2 LYS 36 HG2 LYS 36 35.962 -6.046 3.338
267 HG3 LYS 36 HG3 LYS 36 37.274 -6.098 4.514
268 HD2 LYS 36 HD2 LYS 36 36.958 -8.643 3.181
269 HD3 LYS 36 HD3 LYS 36 37.237 -7.334 2.032
270 HE2 LYS 36 HE2 LYS 36 39.332 -6.905 2.821
271 HE3 LYS 36 HE3 LYS 36 38.936 -7.412 4.462
272 HZ1 LYS 36 HZ1 LYS 36 40.481 -8.861 2.996
273 HZ2 LYS 36 HZ2 LYS 36 39.035 -9.417 2.314
274 HZ3 LYS 36 HZ3 LYS 36 39.315 -9.607 3.972
275 H ASN 37 H ASN 37 33.187 -6.797 2.778
276 HA ASN 37 HA ASN 37 30.794 -6.519 2.836
277 HB2 ASN 37 HB2 ASN 37 31.161 -6.454 5.842
278 HB3 ASN 37 HB3 ASN 37 29.647 -6.142 4.992
279 HD21 ASN 37 HD21 ASN 37 30.047 -8.179 2.987
280 HD22 ASN 37 HD22 ASN 37 29.811 -9.707 3.780
281 H TYR 38 H TYR 38 32.213 -4.849 1.850
282 HA TYR 38 HA TYR 38 31.165 -2.429 2.497
283 HD1 TYR 38 HD2 TYR 38 35.578 -2.776 2.718
284 HD2 TYR 38 HD1 TYR 38 32.731 -3.378 5.819
285 HE1 TYR 38 HE2 TYR 38 37.219 -4.125 3.959
286 HE2 TYR 38 HE1 TYR 38 34.362 -4.722 7.070
287 HH TYR 38 HH TYR 38 37.692 -4.956 6.077
288 HB2 TYR 38 HB2 TYR 38 33.608 -1.343 2.945
289 HB3 TYR 38 HB3 TYR 38 32.405 -1.655 4.181
290 H ASP 39 H ASP 39 32.605 -0.552 1.347
291 HA ASP 39 HA ASP 39 33.580 -1.756 -1.148
292 HB2 ASP 39 HB2 ASP 39 31.111 -0.679 -1.009
293 HB3 ASP 39 HB3 ASP 39 32.049 0.760 -1.415
294 H ILE 40 H ILE 40 35.098 -0.664 -2.266
295 HA ILE 40 HA ILE 40 37.148 0.599 -1.167
296 HB ILE 40 HB ILE 40 37.253 1.947 -3.451
297 HG12 ILE 40 HG12 ILE 40 35.585 -0.310 -4.434
298 HG13 ILE 40 HG13 ILE 40 34.732 1.065 -3.723
299 HG21 ILE 40 HG21 ILE 40 38.162 -0.512 -2.505
300 HG22 ILE 40 HG22 ILE 40 38.775 0.388 -3.893
301 HG23 ILE 40 HG23 ILE 40 37.530 -0.841 -4.116
302 HD11 ILE 40 HD11 ILE 40 35.827 2.558 -5.311
303 HD12 ILE 40 HD12 ILE 40 34.916 1.290 -6.131
304 HD13 ILE 40 HD13 ILE 40 36.672 1.184 -6.024
305 H GLY 41 H GLY 41 34.039 2.115 -1.805
306 HA2 GLY 41 HA2 GLY 41 34.732 4.805 -1.679
307 HA3 GLY 41 HA3 GLY 41 33.217 4.135 -1.063
308 H ALA 42 H ALA 42 34.878 2.350 0.672
309 HA ALA 42 HA ALA 42 35.234 4.230 2.884
310 HB1 ALA 42 HB1 ALA 42 35.028 2.324 4.336
311 HB2 ALA 42 HB2 ALA 42 35.134 1.213 2.968
312 HB3 ALA 42 HB3 ALA 42 33.725 2.256 3.150
313 H ALA 43 H ALA 43 36.814 1.329 1.536
314 HA ALA 43 HA ALA 43 39.262 1.748 2.908
315 HB1 ALA 43 HB1 ALA 43 39.673 0.210 0.540
316 HB2 ALA 43 HB2 ALA 43 38.139 -0.252 1.277
317 HB3 ALA 43 HB3 ALA 43 39.627 -0.326 2.219
318 H LEU 44 H LEU 44 38.455 2.142 -0.550
319 HA LEU 44 HA LEU 44 40.895 3.253 -1.328
320 HG LEU 44 HG LEU 44 40.158 5.192 -3.330
321 HB2 LEU 44 HB2 LEU 44 39.679 2.618 -3.146
322 HB3 LEU 44 HB3 LEU 44 38.157 3.154 -2.447
323 HD11 LEU 44 HD11 LEU 44 39.944 3.627 -5.200
324 HD12 LEU 44 HD12 LEU 44 39.206 5.190 -5.559
325 HD13 LEU 44 HD13 LEU 44 38.190 3.808 -5.143
326 HD21 LEU 44 HD21 LEU 44 37.387 5.682 -3.922
327 HD22 LEU 44 HD22 LEU 44 38.493 6.597 -2.897
328 HD23 LEU 44 HD23 LEU 44 37.589 5.239 -2.227
329 H ASP 45 H ASP 45 38.550 4.588 0.677
330 HA ASP 45 HA ASP 45 38.844 7.331 -0.083
331 HB2 ASP 45 HB2 ASP 45 36.898 6.211 1.216
332 HB3 ASP 45 HB3 ASP 45 37.932 6.402 2.629
333 H THR 46 H THR 46 40.792 5.125 1.555
334 HA THR 46 HA THR 46 42.095 7.144 3.197
335 HB THR 46 HB THR 46 41.566 4.828 4.059
336 HG1 THR 46 HG1 THR 46 44.331 5.181 4.210
337 HG21 THR 46 HG21 THR 46 42.764 3.919 1.781
338 HG22 THR 46 HG22 THR 46 42.460 2.967 3.235
339 HG23 THR 46 HG23 THR 46 44.035 3.720 2.988
340 H ILE 47 H ILE 47 42.731 5.261 0.279
341 HA ILE 47 HA ILE 47 45.473 6.228 0.209
342 HB ILE 47 HB ILE 47 44.465 4.863 -2.172
343 HG12 ILE 47 HG12 ILE 47 44.562 3.374 0.463
344 HG13 ILE 47 HG13 ILE 47 43.112 3.679 -0.487
345 HG21 ILE 47 HG21 ILE 47 46.887 5.262 -0.784
346 HG22 ILE 47 HG22 ILE 47 46.634 4.488 -2.350
347 HG23 ILE 47 HG23 ILE 47 46.601 3.525 -0.873
348 HD11 ILE 47 HD11 ILE 47 45.016 1.553 -0.699
349 HD12 ILE 47 HD12 ILE 47 44.896 2.425 -2.227
350 HD13 ILE 47 HD13 ILE 47 43.449 1.742 -1.486
351 H GLN 48 H GLN 48 42.937 7.876 -0.080
352 HA GLN 48 HA GLN 48 42.928 10.025 -1.103
353 HB2 GLN 48 HB2 GLN 48 43.956 10.522 -3.114
354 HB3 GLN 48 HB3 GLN 48 45.006 9.261 -2.489
355 HG2 GLN 48 HG2 GLN 48 43.189 7.813 -3.909
356 HG3 GLN 48 HG3 GLN 48 43.286 9.297 -4.858
357 HE21 GLN 48 HE21 GLN 48 44.525 6.300 -4.541
358 HE22 GLN 48 HE22 GLN 48 46.088 6.542 -5.253
359 H TYR 49 H TYR 49 41.924 10.480 -3.641
360 HA TYR 49 HA TYR 49 40.023 10.388 -4.879
361 HD1 TYR 49 HD2 TYR 49 40.991 9.722 -6.623
362 HD2 TYR 49 HD1 TYR 49 41.158 5.904 -4.761
363 HE1 TYR 49 HE2 TYR 49 42.786 9.058 -8.162
364 HE2 TYR 49 HE1 TYR 49 42.954 5.227 -6.298
365 HH TYR 49 HH TYR 49 44.354 5.890 -7.904
366 HB2 TYR 49 HB2 TYR 49 39.816 7.556 -3.826
367 HB3 TYR 49 HB3 TYR 49 38.905 8.224 -5.185
368 H SER 50 H SER 50 37.783 8.457 -3.738
369 HA SER 50 HA SER 50 36.764 8.896 -1.376
370 HG SER 50 HG SER 50 35.155 11.003 -0.499
371 HB2 SER 50 HB2 SER 50 37.217 11.208 -1.189
372 HB3 SER 50 HB3 SER 50 36.649 11.538 -2.825
373 H LYS 51 H LYS 51 35.056 10.786 -3.769
374 HA LYS 51 HA LYS 51 33.700 8.758 -5.125
375 HB2 LYS 51 HB2 LYS 51 31.424 9.277 -3.873
376 HB3 LYS 51 HB3 LYS 51 32.494 7.991 -3.333
377 HG2 LYS 51 HG2 LYS 51 33.452 9.519 -1.661
378 HG3 LYS 51 HG3 LYS 51 32.316 10.767 -2.177
379 HD2 LYS 51 HD2 LYS 51 31.270 8.088 -1.374
380 HD3 LYS 51 HD3 LYS 51 31.775 9.224 -0.121
381 HE2 LYS 51 HE2 LYS 51 30.286 10.928 -1.267
382 HE3 LYS 51 HE3 LYS 51 29.637 9.582 -2.205
383 HZ1 LYS 51 HZ1 LYS 51 29.195 10.286 0.567
384 HZ2 LYS 51 HZ2 LYS 51 29.441 8.636 0.288
385 HZ3 LYS 51 HZ3 LYS 51 28.194 9.451 -0.512
386 H HIS 52 H HIS 52 32.257 9.597 -6.655
387 HA HIS 52 HA HIS 52 31.928 12.523 -6.606
388 HD1 HIS 52 HD1 HIS 52 33.461 13.648 -6.517
389 HD2 HIS 52 HD2 HIS 52 35.259 12.045 -9.901
390 HE1 HIS 52 HE1 HIS 52 35.738 14.734 -6.693
391 HB2 HIS 52 HB2 HIS 52 32.985 10.762 -8.784
392 HB3 HIS 52 HB3 HIS 52 32.084 12.216 -9.219
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 34.607 11.897 10.679
2 H2 GLY 1 2H GLY 1 33.592 12.473 9.455
3 H3 GLY 1 3H GLY 1 34.682 11.222 9.130
4 HA2 GLY 1 HA2 GLY 1 32.739 10.783 11.268
5 HA3 GLY 1 HA3 GLY 1 32.138 10.764 9.617
6 H SER 2 H SER 2 34.317 9.238 11.897
7 HA SER 2 HA SER 2 34.459 6.901 10.107
8 HG SER 2 HG SER 2 37.499 8.336 10.129
9 HB2 SER 2 HB2 SER 2 36.489 8.117 11.950
10 HB3 SER 2 HB3 SER 2 36.553 6.390 11.597
11 HA PRO 3 HA PRO 3 32.329 5.106 13.636
12 HB2 PRO 3 HB2 PRO 3 30.876 3.347 12.224
13 HB3 PRO 3 HB3 PRO 3 30.486 5.069 12.241
14 HG2 PRO 3 HG2 PRO 3 31.708 3.435 10.101
15 HG3 PRO 3 HG3 PRO 3 30.755 4.921 9.977
16 HD2 PRO 3 HD2 PRO 3 33.600 4.648 9.883
17 HD3 PRO 3 HD3 PRO 3 32.652 6.145 9.830
18 HA PRO 4 HA PRO 4 34.739 1.426 14.139
19 HB2 PRO 4 HB2 PRO 4 33.077 0.272 16.088
20 HB3 PRO 4 HB3 PRO 4 34.431 1.362 16.372
21 HG2 PRO 4 HG2 PRO 4 31.715 1.912 16.846
22 HG3 PRO 4 HG3 PRO 4 33.042 3.083 16.849
23 HD2 PRO 4 HD2 PRO 4 31.035 2.496 14.738
24 HD3 PRO 4 HD3 PRO 4 31.878 4.014 15.107
25 H GLU 5 H GLU 5 32.177 1.362 12.363
26 HA GLU 5 HA GLU 5 31.516 -1.468 12.507
27 HB2 GLU 5 HB2 GLU 5 29.851 0.428 12.018
28 HB3 GLU 5 HB3 GLU 5 30.566 0.477 10.413
29 HG2 GLU 5 HG2 GLU 5 29.670 -1.523 9.796
30 HG3 GLU 5 HG3 GLU 5 29.632 -2.143 11.447
31 H ALA 6 H ALA 6 33.947 0.325 11.248
32 HA ALA 6 HA ALA 6 35.409 -1.483 9.964
33 HB1 ALA 6 HB1 ALA 6 34.760 -1.147 7.492
34 HB2 ALA 6 HB2 ALA 6 33.197 -0.632 8.128
35 HB3 ALA 6 HB3 ALA 6 33.797 -2.255 8.469
36 H ASP 7 H ASP 7 36.036 0.786 11.191
37 HA ASP 7 HA ASP 7 36.730 2.772 9.163
38 HB2 ASP 7 HB2 ASP 7 35.853 3.958 10.928
39 HB3 ASP 7 HB3 ASP 7 36.427 2.810 12.130
40 HA PRO 8 HA PRO 8 41.000 1.579 10.889
41 HB2 PRO 8 HB2 PRO 8 41.248 -0.207 12.869
42 HB3 PRO 8 HB3 PRO 8 40.798 1.472 13.185
43 HG2 PRO 8 HG2 PRO 8 39.113 -0.974 13.189
44 HG3 PRO 8 HG3 PRO 8 38.970 0.495 14.168
45 HD2 PRO 8 HD2 PRO 8 37.486 -0.141 11.858
46 HD3 PRO 8 HD3 PRO 8 37.549 1.431 12.674
47 H ARG 9 H ARG 9 39.174 -1.466 11.361
48 HA ARG 9 HA ARG 9 41.131 -3.100 10.152
49 HE ARG 9 HE ARG 9 38.178 -3.749 13.250
50 HB2 ARG 9 HB2 ARG 9 38.354 -3.435 11.095
51 HB3 ARG 9 HB3 ARG 9 38.866 -4.563 9.848
52 HG2 ARG 9 HG2 ARG 9 40.603 -5.416 11.186
53 HG3 ARG 9 HG3 ARG 9 40.465 -4.091 12.344
54 HD2 ARG 9 HD2 ARG 9 38.356 -6.184 11.825
55 HD3 ARG 9 HD3 ARG 9 39.484 -6.188 13.185
56 HH11 ARG 9 HH11 ARG 9 37.334 -7.119 13.479
57 HH12 ARG 9 HH12 ARG 9 35.964 -6.840 14.502
58 HH21 ARG 9 HH21 ARG 9 36.373 -3.369 14.595
59 HH22 ARG 9 HH22 ARG 9 35.415 -4.708 15.134
60 H LEU 10 H LEU 10 38.796 -1.018 8.798
61 HA LEU 10 HA LEU 10 38.650 -2.422 6.265
62 HG LEU 10 HG LEU 10 36.179 0.217 5.132
63 HB2 LEU 10 HB2 LEU 10 36.642 -1.354 6.811
64 HB3 LEU 10 HB3 LEU 10 37.463 0.113 7.334
65 HD11 LEU 10 HD11 LEU 10 38.938 0.981 4.479
66 HD12 LEU 10 HD12 LEU 10 38.332 1.593 6.021
67 HD13 LEU 10 HD13 LEU 10 37.471 1.957 4.527
68 HD21 LEU 10 HD21 LEU 10 37.919 -0.497 3.254
69 HD22 LEU 10 HD22 LEU 10 36.664 -1.587 3.845
70 HD23 LEU 10 HD23 LEU 10 38.312 -1.721 4.458
71 H ILE 11 H ILE 11 39.695 0.831 7.279
72 HA ILE 11 HA ILE 11 40.841 1.663 4.927
73 HB ILE 11 HB ILE 11 41.715 2.259 7.750
74 HG12 ILE 11 HG12 ILE 11 40.183 3.982 5.794
75 HG13 ILE 11 HG13 ILE 11 39.400 2.930 6.980
76 HG21 ILE 11 HG21 ILE 11 43.459 3.409 7.005
77 HG22 ILE 11 HG22 ILE 11 42.441 4.299 5.874
78 HG23 ILE 11 HG23 ILE 11 43.160 2.763 5.391
79 HD11 ILE 11 HD11 ILE 11 41.326 4.522 8.330
80 HD12 ILE 11 HD12 ILE 11 39.570 4.519 8.501
81 HD13 ILE 11 HD13 ILE 11 40.339 5.574 7.315
82 H GLU 12 H GLU 12 42.821 0.509 7.656
83 HA GLU 12 HA GLU 12 45.183 0.266 6.401
84 HB2 GLU 12 HB2 GLU 12 45.045 -0.200 8.747
85 HB3 GLU 12 HB3 GLU 12 44.016 -1.597 8.464
86 HG2 GLU 12 HG2 GLU 12 45.819 -2.873 8.456
87 HG3 GLU 12 HG3 GLU 12 46.361 -2.048 6.996
88 H SER 13 H SER 13 42.543 -2.052 6.110
89 HA SER 13 HA SER 13 43.809 -4.136 4.880
90 HG SER 13 HG SER 13 40.464 -3.812 5.761
91 HB2 SER 13 HB2 SER 13 41.189 -2.855 4.051
92 HB3 SER 13 HB3 SER 13 41.742 -4.436 3.507
93 H LEU 14 H LEU 14 43.137 -0.930 3.645
94 HA LEU 14 HA LEU 14 43.852 -1.450 0.949
95 HG LEU 14 HG LEU 14 41.785 1.420 0.666
96 HB2 LEU 14 HB2 LEU 14 43.571 1.074 2.565
97 HB3 LEU 14 HB3 LEU 14 44.044 1.094 0.868
98 HD11 LEU 14 HD11 LEU 14 41.915 -1.584 0.836
99 HD12 LEU 14 HD12 LEU 14 42.429 -0.623 -0.551
100 HD13 LEU 14 HD13 LEU 14 40.738 -0.626 -0.056
101 HD21 LEU 14 HD21 LEU 14 41.479 -0.307 3.109
102 HD22 LEU 14 HD22 LEU 14 40.110 0.215 2.128
103 HD23 LEU 14 HD23 LEU 14 41.123 1.410 2.935
104 H SER 15 H SER 15 45.642 -0.578 3.800
105 HA SER 15 HA SER 15 47.948 0.494 2.803
106 HG SER 15 HG SER 15 47.908 -2.106 5.900
107 HB2 SER 15 HB2 SER 15 49.005 -0.138 4.787
108 HB3 SER 15 HB3 SER 15 47.302 -0.167 5.248
109 H GLN 16 H GLN 16 46.681 -2.615 2.296
110 HA GLN 16 HA GLN 16 49.127 -3.896 1.494
111 HB2 GLN 16 HB2 GLN 16 47.910 -5.813 1.413
112 HB3 GLN 16 HB3 GLN 16 46.762 -4.870 2.351
113 HG2 GLN 16 HG2 GLN 16 45.838 -4.215 -0.012
114 HG3 GLN 16 HG3 GLN 16 46.653 -5.696 -0.509
115 HE21 GLN 16 HE21 GLN 16 43.831 -5.078 -0.497
116 HE22 GLN 16 HE22 GLN 16 43.072 -6.266 0.511
117 H MET 17 H MET 17 46.414 -2.307 -0.098
118 HA MET 17 HA MET 17 47.558 -2.880 -2.714
119 HB2 MET 17 HB2 MET 17 45.034 -3.036 -2.027
120 HB3 MET 17 HB3 MET 17 45.041 -1.305 -2.309
121 HG2 MET 17 HG2 MET 17 44.582 -3.304 -4.166
122 HG3 MET 17 HG3 MET 17 44.844 -1.595 -4.493
123 HE1 MET 17 HE1 MET 17 46.183 -3.244 -7.277
124 HE2 MET 17 HE2 MET 17 47.110 -1.761 -7.058
125 HE3 MET 17 HE3 MET 17 45.408 -1.809 -6.610
126 H LEU 18 H LEU 18 46.102 0.052 -1.265
127 HA LEU 18 HA LEU 18 46.939 1.986 -2.913
128 HG LEU 18 HG LEU 18 46.620 4.554 -0.270
129 HB2 LEU 18 HB2 LEU 18 45.723 2.500 -0.892
130 HB3 LEU 18 HB3 LEU 18 47.109 2.056 0.100
131 HD11 LEU 18 HD11 LEU 18 48.820 5.045 0.146
132 HD12 LEU 18 HD12 LEU 18 49.417 3.881 -1.037
133 HD13 LEU 18 HD13 LEU 18 48.796 3.320 0.515
134 HD21 LEU 18 HD21 LEU 18 48.255 4.367 -2.726
135 HD22 LEU 18 HD22 LEU 18 47.014 5.535 -2.273
136 HD23 LEU 18 HD23 LEU 18 46.550 3.942 -2.873
137 H SER 19 H SER 19 48.970 1.252 -0.096
138 HA SER 19 HA SER 19 51.249 2.539 -0.793
139 HG SER 19 HG SER 19 53.026 -0.246 0.116
140 HB2 SER 19 HB2 SER 19 52.121 1.482 0.986
141 HB3 SER 19 HB3 SER 19 50.579 0.635 1.113
142 H MET 20 H MET 20 49.969 -0.282 -2.337
143 HA MET 20 HA MET 20 52.466 -0.792 -3.765
144 HB2 MET 20 HB2 MET 20 50.047 -2.335 -3.147
145 HB3 MET 20 HB3 MET 20 50.641 -2.564 -4.784
146 HG2 MET 20 HG2 MET 20 52.655 -3.461 -4.069
147 HG3 MET 20 HG3 MET 20 52.500 -2.765 -2.451
148 HE1 MET 20 HE1 MET 20 49.888 -6.177 -4.037
149 HE2 MET 20 HE2 MET 20 50.413 -4.734 -4.902
150 HE3 MET 20 HE3 MET 20 49.114 -4.625 -3.715
151 H GLY 21 H GLY 21 49.568 0.948 -4.191
152 HA2 GLY 21 HA2 GLY 21 49.546 2.469 -6.116
153 HA3 GLY 21 HA3 GLY 21 50.117 1.122 -7.090
154 H PHE 22 H PHE 22 47.508 1.342 -4.683
155 HA PHE 22 HA PHE 22 45.688 -0.333 -5.533
156 HD1 PHE 22 HD1 PHE 22 43.034 1.149 -6.638
157 HD2 PHE 22 HD2 PHE 22 43.728 0.577 -2.480
158 HE1 PHE 22 HE1 PHE 22 40.770 0.231 -6.392
159 HE2 PHE 22 HE2 PHE 22 41.459 -0.338 -2.225
160 HZ PHE 22 HZ PHE 22 39.978 -0.514 -4.185
161 HB2 PHE 22 HB2 PHE 22 45.396 1.446 -3.755
162 HB3 PHE 22 HB3 PHE 22 44.835 2.513 -5.034
163 H SER 23 H SER 23 45.155 2.954 -6.782
164 HA SER 23 HA SER 23 44.424 3.703 -8.807
165 HG SER 23 HG SER 23 46.407 3.600 -10.796
166 HB2 SER 23 HB2 SER 23 45.863 1.187 -9.598
167 HB3 SER 23 HB3 SER 23 44.936 2.088 -10.802
168 H ASP 24 H ASP 24 42.342 3.230 -7.621
169 HA ASP 24 HA ASP 24 40.804 0.942 -8.296
170 HB2 ASP 24 HB2 ASP 24 38.859 2.337 -7.454
171 HB3 ASP 24 HB3 ASP 24 40.186 2.106 -6.315
172 H GLU 25 H GLU 25 40.419 0.505 -10.368
173 HA GLU 25 HA GLU 25 39.930 2.537 -12.325
174 HB2 GLU 25 HB2 GLU 25 39.830 0.789 -13.903
175 HB3 GLU 25 HB3 GLU 25 41.012 0.261 -12.714
176 HG2 GLU 25 HG2 GLU 25 39.866 -1.650 -12.725
177 HG3 GLU 25 HG3 GLU 25 38.725 -0.786 -11.694
178 H GLY 26 H GLY 26 37.967 0.664 -10.188
179 HA2 GLY 26 HA2 GLY 26 35.711 1.979 -10.083
180 HA3 GLY 26 HA3 GLY 26 35.539 1.309 -11.705
181 H GLY 27 H GLY 27 36.744 -1.244 -11.132
182 HA2 GLY 27 HA2 GLY 27 35.322 -2.427 -8.932
183 HA3 GLY 27 HA3 GLY 27 34.573 -2.773 -10.482
184 H TRP 28 H TRP 28 37.801 -2.833 -8.960
185 HA TRP 28 HA TRP 28 38.242 -5.425 -10.293
186 HD1 TRP 28 HD1 TRP 28 39.977 -1.264 -9.694
187 HE1 TRP 28 HE1 TRP 28 41.691 -0.606 -7.890
188 HE3 TRP 28 HE3 TRP 28 41.942 -5.879 -8.709
189 HZ2 TRP 28 HZ2 TRP 28 43.611 -1.868 -6.267
190 HZ3 TRP 28 HZ3 TRP 28 43.719 -6.066 -7.016
191 HH2 TRP 28 HH2 TRP 28 44.538 -4.100 -5.825
192 HB2 TRP 28 HB2 TRP 28 40.530 -4.910 -10.643
193 HB3 TRP 28 HB3 TRP 28 39.646 -3.462 -11.142
194 H LEU 29 H LEU 29 39.289 -3.410 -7.546
195 HA LEU 29 HA LEU 29 40.358 -5.558 -6.048
196 HG LEU 29 HG LEU 29 42.168 -4.162 -4.816
197 HB2 LEU 29 HB2 LEU 29 40.460 -2.856 -5.852
198 HB3 LEU 29 HB3 LEU 29 39.310 -3.227 -4.568
199 HD11 LEU 29 HD11 LEU 29 41.841 -3.177 -2.318
200 HD12 LEU 29 HD12 LEU 29 40.726 -2.159 -3.227
201 HD13 LEU 29 HD13 LEU 29 42.423 -2.238 -3.693
202 HD21 LEU 29 HD21 LEU 29 40.575 -5.981 -4.086
203 HD22 LEU 29 HD22 LEU 29 40.235 -4.990 -2.667
204 HD23 LEU 29 HD23 LEU 29 41.870 -5.586 -2.956
205 H THR 30 H THR 30 37.177 -4.263 -6.432
206 HA THR 30 HA THR 30 35.735 -4.839 -4.269
207 HB THR 30 HB THR 30 34.125 -6.067 -6.089
208 HG1 THR 30 HG1 THR 30 35.072 -5.959 -7.948
209 HG21 THR 30 HG21 THR 30 33.456 -4.066 -4.964
210 HG22 THR 30 HG22 THR 30 33.283 -3.825 -6.704
211 HG23 THR 30 HG23 THR 30 34.652 -3.119 -5.846
212 H ARG 31 H ARG 31 37.043 -7.274 -6.452
213 HA ARG 31 HA ARG 31 35.860 -9.548 -5.393
214 HE ARG 31 HE ARG 31 38.739 -12.855 -7.349
215 HB2 ARG 31 HB2 ARG 31 37.802 -9.002 -7.306
216 HB3 ARG 31 HB3 ARG 31 38.629 -10.019 -6.134
217 HG2 ARG 31 HG2 ARG 31 35.967 -10.753 -7.311
218 HG3 ARG 31 HG3 ARG 31 37.500 -11.195 -8.065
219 HD2 ARG 31 HD2 ARG 31 37.446 -11.826 -5.231
220 HD3 ARG 31 HD3 ARG 31 36.141 -12.623 -6.117
221 HH11 ARG 31 HH11 ARG 31 36.495 -14.237 -5.071
222 HH12 ARG 31 HH12 ARG 31 37.165 -15.831 -5.181
223 HH21 ARG 31 HH21 ARG 31 39.629 -14.952 -7.498
224 HH22 ARG 31 HH22 ARG 31 38.942 -16.238 -6.562
225 H LEU 32 H LEU 32 39.130 -8.337 -4.597
226 HA LEU 32 HA LEU 32 39.216 -10.049 -2.272
227 HG LEU 32 HG LEU 32 42.847 -9.169 -1.880
228 HB2 LEU 32 HB2 LEU 32 41.263 -9.866 -3.441
229 HB3 LEU 32 HB3 LEU 32 41.161 -8.116 -3.500
230 HD11 LEU 32 HD11 LEU 32 41.568 -7.457 -0.063
231 HD12 LEU 32 HD12 LEU 32 41.167 -6.856 -1.672
232 HD13 LEU 32 HD13 LEU 32 42.852 -7.061 -1.204
233 HD21 LEU 32 HD21 LEU 32 40.522 -10.442 -0.963
234 HD22 LEU 32 HD22 LEU 32 40.975 -9.286 0.289
235 HD23 LEU 32 HD23 LEU 32 42.135 -10.499 -0.254
236 H LEU 33 H LEU 33 38.939 -6.603 -2.941
237 HA LEU 33 HA LEU 33 39.344 -5.496 -0.500
238 HG LEU 33 HG LEU 33 39.364 -3.259 -2.745
239 HB2 LEU 33 HB2 LEU 33 37.765 -4.835 -2.840
240 HB3 LEU 33 HB3 LEU 33 36.979 -4.275 -1.376
241 HD11 LEU 33 HD11 LEU 33 37.835 -1.763 -0.692
242 HD12 LEU 33 HD12 LEU 33 37.002 -2.225 -2.177
243 HD13 LEU 33 HD13 LEU 33 38.457 -1.231 -2.256
244 HD21 LEU 33 HD21 LEU 33 39.384 -3.770 0.191
245 HD22 LEU 33 HD22 LEU 33 40.128 -2.306 -0.445
246 HD23 LEU 33 HD23 LEU 33 40.697 -3.886 -0.980
247 H GLN 34 H GLN 34 36.179 -6.669 -1.608
248 HA GLN 34 HA GLN 34 34.749 -6.329 0.697
249 HB2 GLN 34 HB2 GLN 34 34.566 -8.367 -1.485
250 HB3 GLN 34 HB3 GLN 34 33.474 -8.440 -0.108
251 HG2 GLN 34 HG2 GLN 34 32.593 -7.233 -2.116
252 HG3 GLN 34 HG3 GLN 34 32.553 -6.319 -0.602
253 HE21 GLN 34 HE21 GLN 34 34.444 -4.850 -0.239
254 HE22 GLN 34 HE22 GLN 34 35.075 -3.999 -1.614
255 H THR 35 H THR 35 37.308 -8.567 0.181
256 HA THR 35 HA THR 35 36.665 -10.556 2.012
257 HB THR 35 HB THR 35 39.429 -9.408 1.574
258 HG1 THR 35 HG1 THR 35 37.814 -10.445 -0.228
259 HG21 THR 35 HG21 THR 35 39.539 -12.177 1.669
260 HG22 THR 35 HG22 THR 35 38.457 -11.719 2.985
261 HG23 THR 35 HG23 THR 35 40.084 -11.045 2.905
262 H LYS 36 H LYS 36 38.469 -7.528 2.546
263 HA LYS 36 HA LYS 36 37.683 -7.690 5.377
264 HB2 LYS 36 HB2 LYS 36 39.779 -6.632 6.007
265 HB3 LYS 36 HB3 LYS 36 40.086 -8.140 5.139
266 HG2 LYS 36 HG2 LYS 36 40.119 -5.441 3.816
267 HG3 LYS 36 HG3 LYS 36 41.551 -6.183 4.534
268 HD2 LYS 36 HD2 LYS 36 40.404 -8.162 2.924
269 HD3 LYS 36 HD3 LYS 36 40.318 -6.674 1.977
270 HE2 LYS 36 HE2 LYS 36 42.409 -7.873 1.566
271 HE3 LYS 36 HE3 LYS 36 42.704 -6.308 2.323
272 HZ1 LYS 36 HZ1 LYS 36 44.058 -7.715 3.518
273 HZ2 LYS 36 HZ2 LYS 36 42.961 -9.001 3.484
274 HZ3 LYS 36 HZ3 LYS 36 42.676 -7.673 4.493
275 H ASN 37 H ASN 37 37.686 -5.816 2.532
276 HA ASN 37 HA ASN 37 37.483 -3.298 3.900
277 HB2 ASN 37 HB2 ASN 37 37.586 -4.186 1.110
278 HB3 ASN 37 HB3 ASN 37 36.415 -2.890 1.374
279 HD21 ASN 37 HD21 ASN 37 39.634 -3.682 2.647
280 HD22 ASN 37 HD22 ASN 37 40.330 -2.124 2.324
281 H TYR 38 H TYR 38 35.209 -4.408 1.498
282 HA TYR 38 HA TYR 38 33.064 -5.286 1.943
283 HD1 TYR 38 HD2 TYR 38 33.230 -6.912 3.218
284 HD2 TYR 38 HD1 TYR 38 33.488 -4.136 6.431
285 HE1 TYR 38 HE2 TYR 38 34.119 -8.685 4.673
286 HE2 TYR 38 HE1 TYR 38 34.384 -5.896 7.893
287 HH TYR 38 HH TYR 38 35.666 -8.119 7.522
288 HB2 TYR 38 HB2 TYR 38 33.019 -3.354 4.275
289 HB3 TYR 38 HB3 TYR 38 31.690 -4.396 3.782
290 H ASP 39 H ASP 39 34.232 -2.005 2.082
291 HA ASP 39 HA ASP 39 32.267 -1.276 0.040
292 HB2 ASP 39 HB2 ASP 39 32.533 -0.068 2.711
293 HB3 ASP 39 HB3 ASP 39 32.448 1.084 1.378
294 H ILE 40 H ILE 40 33.374 -0.661 -1.724
295 HA ILE 40 HA ILE 40 36.068 -0.011 -1.839
296 HB ILE 40 HB ILE 40 34.273 1.373 -3.769
297 HG12 ILE 40 HG12 ILE 40 34.498 -1.635 -3.549
298 HG13 ILE 40 HG13 ILE 40 33.025 -0.657 -3.553
299 HG21 ILE 40 HG21 ILE 40 36.948 0.838 -3.649
300 HG22 ILE 40 HG22 ILE 40 36.061 1.271 -5.110
301 HG23 ILE 40 HG23 ILE 40 36.365 -0.425 -4.735
302 HD11 ILE 40 HD11 ILE 40 33.138 -1.624 -5.677
303 HD12 ILE 40 HD12 ILE 40 34.859 -1.278 -5.840
304 HD13 ILE 40 HD13 ILE 40 33.686 0.036 -5.904
305 H GLY 41 H GLY 41 33.206 1.911 -1.215
306 HA2 GLY 41 HA2 GLY 41 34.373 4.471 -1.369
307 HA3 GLY 41 HA3 GLY 41 32.933 4.047 -0.436
308 H ALA 42 H ALA 42 34.956 1.914 0.711
309 HA ALA 42 HA ALA 42 35.774 3.555 2.965
310 HB1 ALA 42 HB1 ALA 42 35.571 1.678 4.185
311 HB2 ALA 42 HB2 ALA 42 36.524 0.738 3.038
312 HB3 ALA 42 HB3 ALA 42 34.796 0.965 2.772
313 H ALA 43 H ALA 43 36.927 1.769 0.214
314 HA ALA 43 HA ALA 43 39.740 2.071 0.942
315 HB1 ALA 43 HB1 ALA 43 40.190 0.894 -1.144
316 HB2 ALA 43 HB2 ALA 43 38.485 0.998 -1.583
317 HB3 ALA 43 HB3 ALA 43 38.981 0.033 -0.192
318 H LEU 44 H LEU 44 37.388 3.423 -1.260
319 HA LEU 44 HA LEU 44 39.041 4.937 -2.915
320 HG LEU 44 HG LEU 44 35.676 4.428 -4.246
321 HB2 LEU 44 HB2 LEU 44 36.176 5.059 -2.114
322 HB3 LEU 44 HB3 LEU 44 36.858 6.431 -2.980
323 HD11 LEU 44 HD11 LEU 44 37.283 4.905 -6.182
324 HD12 LEU 44 HD12 LEU 44 38.098 5.996 -5.063
325 HD13 LEU 44 HD13 LEU 44 36.408 6.268 -5.484
326 HD21 LEU 44 HD21 LEU 44 37.115 2.683 -3.359
327 HD22 LEU 44 HD22 LEU 44 38.536 3.501 -4.006
328 HD23 LEU 44 HD23 LEU 44 37.329 2.832 -5.104
329 H ASP 45 H ASP 45 38.630 5.335 0.387
330 HA ASP 45 HA ASP 45 38.958 8.230 0.333
331 HB2 ASP 45 HB2 ASP 45 37.399 7.100 1.966
332 HB3 ASP 45 HB3 ASP 45 38.823 6.426 2.754
333 H THR 46 H THR 46 40.585 5.472 1.921
334 HA THR 46 HA THR 46 42.929 6.991 2.467
335 HB THR 46 HB THR 46 42.348 5.126 3.899
336 HG1 THR 46 HG1 THR 46 44.706 4.575 2.424
337 HG21 THR 46 HG21 THR 46 41.444 3.752 1.871
338 HG22 THR 46 HG22 THR 46 42.109 2.945 3.291
339 HG23 THR 46 HG23 THR 46 43.092 3.124 1.837
340 H ILE 47 H ILE 47 42.256 4.403 0.097
341 HA ILE 47 HA ILE 47 44.811 4.581 -1.110
342 HB ILE 47 HB ILE 47 44.023 3.101 -2.754
343 HG12 ILE 47 HG12 ILE 47 41.213 2.946 -2.325
344 HG13 ILE 47 HG13 ILE 47 41.624 4.643 -2.559
345 HG21 ILE 47 HG21 ILE 47 42.310 1.670 -1.230
346 HG22 ILE 47 HG22 ILE 47 43.040 2.714 -0.013
347 HG23 ILE 47 HG23 ILE 47 44.059 1.681 -1.012
348 HD11 ILE 47 HD11 ILE 47 41.539 2.457 -4.466
349 HD12 ILE 47 HD12 ILE 47 43.034 3.388 -4.551
350 HD13 ILE 47 HD13 ILE 47 41.477 4.199 -4.731
351 H GLN 48 H GLN 48 43.737 7.227 -0.902
352 HA GLN 48 HA GLN 48 44.080 9.069 -2.244
353 HB2 GLN 48 HB2 GLN 48 43.466 7.372 -4.661
354 HB3 GLN 48 HB3 GLN 48 44.214 8.959 -4.624
355 HG2 GLN 48 HG2 GLN 48 46.256 8.146 -4.043
356 HG3 GLN 48 HG3 GLN 48 45.588 6.757 -3.189
357 HE21 GLN 48 HE21 GLN 48 44.064 5.517 -4.983
358 HE22 GLN 48 HE22 GLN 48 44.994 5.007 -6.355
359 H TYR 49 H TYR 49 42.579 9.909 -4.368
360 HA TYR 49 HA TYR 49 40.587 11.091 -4.498
361 HD1 TYR 49 HD1 TYR 49 41.160 9.987 -7.259
362 HD2 TYR 49 HD2 TYR 49 40.460 6.588 -4.797
363 HE1 TYR 49 HE1 TYR 49 42.685 8.664 -8.661
364 HE2 TYR 49 HE2 TYR 49 41.982 5.256 -6.194
365 HH TYR 49 HH TYR 49 42.882 5.997 -9.159
366 HB2 TYR 49 HB2 TYR 49 39.132 8.512 -4.523
367 HB3 TYR 49 HB3 TYR 49 39.157 9.809 -5.722
368 H SER 50 H SER 50 41.193 11.185 -1.893
369 HA SER 50 HA SER 50 39.518 10.008 -0.035
370 HG SER 50 HG SER 50 41.236 13.167 -0.794
371 HB2 SER 50 HB2 SER 50 40.043 11.893 1.429
372 HB3 SER 50 HB3 SER 50 41.483 11.410 0.534
373 H LYS 51 H LYS 51 39.011 12.975 -1.908
374 HA LYS 51 HA LYS 51 36.151 12.628 -1.733
375 HB2 LYS 51 HB2 LYS 51 35.642 14.736 -0.710
376 HB3 LYS 51 HB3 LYS 51 36.745 13.874 0.354
377 HG2 LYS 51 HG2 LYS 51 38.009 15.690 0.385
378 HG3 LYS 51 HG3 LYS 51 38.387 15.387 -1.312
379 HD2 LYS 51 HD2 LYS 51 37.595 17.597 -1.248
380 HD3 LYS 51 HD3 LYS 51 36.236 16.644 -1.848
381 HE2 LYS 51 HE2 LYS 51 35.519 16.527 0.629
382 HE3 LYS 51 HE3 LYS 51 36.630 17.877 0.856
383 HZ1 LYS 51 HZ1 LYS 51 35.084 19.241 0.094
384 HZ2 LYS 51 HZ2 LYS 51 34.009 17.948 -0.096
385 HZ3 LYS 51 HZ3 LYS 51 35.017 18.405 -1.376
386 H HIS 52 H HIS 52 34.982 14.041 -3.169
387 HA HIS 52 HA HIS 52 36.602 15.574 -5.059
388 HD1 HIS 52 HD1 HIS 52 37.598 15.576 -7.203
389 HD2 HIS 52 HD2 HIS 52 34.020 13.970 -8.573
390 HE1 HIS 52 HE1 HIS 52 37.367 16.309 -9.613
391 HB2 HIS 52 HB2 HIS 52 36.333 13.213 -5.914
392 HB3 HIS 52 HB3 HIS 52 34.598 13.519 -6.006
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 30.637 9.177 14.790
2 H2 GLY 1 2H GLY 1 31.055 7.617 14.286
3 H3 GLY 1 3H GLY 1 31.296 8.932 13.250
4 HA2 GLY 1 HA2 GLY 1 33.119 9.708 14.380
5 HA3 GLY 1 HA3 GLY 1 32.623 8.921 15.870
6 H SER 2 H SER 2 33.197 6.795 16.250
7 HA SER 2 HA SER 2 35.090 5.648 14.304
8 HG SER 2 HG SER 2 35.203 6.892 17.628
9 HB2 SER 2 HB2 SER 2 35.847 4.400 16.528
10 HB3 SER 2 HB3 SER 2 36.459 6.002 16.119
11 HA PRO 3 HA PRO 3 31.806 2.502 14.458
12 HB2 PRO 3 HB2 PRO 3 31.862 1.839 11.885
13 HB3 PRO 3 HB3 PRO 3 31.153 3.379 12.395
14 HG2 PRO 3 HG2 PRO 3 33.871 2.833 11.252
15 HG3 PRO 3 HG3 PRO 3 32.729 4.129 10.844
16 HD2 PRO 3 HD2 PRO 3 34.856 4.432 12.565
17 HD3 PRO 3 HD3 PRO 3 33.392 5.427 12.611
18 HA PRO 4 HA PRO 4 34.464 -1.060 14.400
19 HB2 PRO 4 HB2 PRO 4 32.477 -2.972 14.129
20 HB3 PRO 4 HB3 PRO 4 32.919 -2.171 15.638
21 HG2 PRO 4 HG2 PRO 4 30.475 -1.928 14.182
22 HG3 PRO 4 HG3 PRO 4 30.946 -1.071 15.656
23 HD2 PRO 4 HD2 PRO 4 31.013 -0.160 12.842
24 HD3 PRO 4 HD3 PRO 4 30.901 0.792 14.337
25 H GLU 5 H GLU 5 35.720 -1.905 12.843
26 HA GLU 5 HA GLU 5 36.441 -2.627 10.812
27 HB2 GLU 5 HB2 GLU 5 33.987 -3.963 10.005
28 HB3 GLU 5 HB3 GLU 5 35.570 -4.640 10.359
29 HG2 GLU 5 HG2 GLU 5 33.399 -3.986 12.337
30 HG3 GLU 5 HG3 GLU 5 33.948 -5.588 11.848
31 H ALA 6 H ALA 6 34.769 -0.108 10.966
32 HA ALA 6 HA ALA 6 34.166 0.040 8.085
33 HB1 ALA 6 HB1 ALA 6 32.035 0.404 8.611
34 HB2 ALA 6 HB2 ALA 6 32.553 1.963 9.255
35 HB3 ALA 6 HB3 ALA 6 32.411 0.569 10.327
36 H ASP 7 H ASP 7 36.248 1.023 10.354
37 HA ASP 7 HA ASP 7 36.779 3.537 8.943
38 HB2 ASP 7 HB2 ASP 7 36.009 3.274 11.718
39 HB3 ASP 7 HB3 ASP 7 37.598 4.019 11.568
40 HA PRO 8 HA PRO 8 40.971 2.265 10.838
41 HB2 PRO 8 HB2 PRO 8 41.075 0.310 12.709
42 HB3 PRO 8 HB3 PRO 8 40.765 2.003 13.115
43 HG2 PRO 8 HG2 PRO 8 38.819 -0.251 12.791
44 HG3 PRO 8 HG3 PRO 8 38.884 0.998 14.049
45 HD2 PRO 8 HD2 PRO 8 37.186 1.139 11.944
46 HD3 PRO 8 HD3 PRO 8 37.887 2.582 12.704
47 H ARG 9 H ARG 9 38.947 -0.679 10.932
48 HA ARG 9 HA ARG 9 40.937 -2.278 9.656
49 HE ARG 9 HE ARG 9 37.856 -5.400 12.523
50 HB2 ARG 9 HB2 ARG 9 38.563 -2.737 11.068
51 HB3 ARG 9 HB3 ARG 9 38.276 -3.376 9.456
52 HG2 ARG 9 HG2 ARG 9 39.415 -5.191 9.981
53 HG3 ARG 9 HG3 ARG 9 40.857 -4.211 10.246
54 HD2 ARG 9 HD2 ARG 9 40.726 -4.979 12.353
55 HD3 ARG 9 HD3 ARG 9 39.478 -3.744 12.537
56 HH11 ARG 9 HH11 ARG 9 40.995 -6.757 11.861
57 HH12 ARG 9 HH12 ARG 9 40.486 -8.390 12.129
58 HH21 ARG 9 HH21 ARG 9 37.178 -7.543 12.877
59 HH22 ARG 9 HH22 ARG 9 38.316 -8.838 12.701
60 H LEU 10 H LEU 10 38.658 -0.058 8.474
61 HA LEU 10 HA LEU 10 38.359 -1.391 5.913
62 HG LEU 10 HG LEU 10 35.773 1.103 4.917
63 HB2 LEU 10 HB2 LEU 10 36.409 -0.260 6.690
64 HB3 LEU 10 HB3 LEU 10 37.310 1.222 6.987
65 HD11 LEU 10 HD11 LEU 10 38.131 2.489 5.473
66 HD12 LEU 10 HD12 LEU 10 36.873 2.929 4.318
67 HD13 LEU 10 HD13 LEU 10 38.263 1.981 3.789
68 HD21 LEU 10 HD21 LEU 10 36.193 -0.406 3.353
69 HD22 LEU 10 HD22 LEU 10 37.498 -1.058 4.341
70 HD23 LEU 10 HD23 LEU 10 37.833 0.213 3.168
71 H ILE 11 H ILE 11 39.517 1.823 6.943
72 HA ILE 11 HA ILE 11 40.675 2.537 4.510
73 HB ILE 11 HB ILE 11 41.413 3.416 7.297
74 HG12 ILE 11 HG12 ILE 11 39.896 4.992 5.226
75 HG13 ILE 11 HG13 ILE 11 39.067 3.855 6.295
76 HG21 ILE 11 HG21 ILE 11 43.115 4.576 6.469
77 HG22 ILE 11 HG22 ILE 11 42.060 5.339 5.280
78 HG23 ILE 11 HG23 ILE 11 42.853 3.808 4.903
79 HD11 ILE 11 HD11 ILE 11 39.593 6.504 6.816
80 HD12 ILE 11 HD12 ILE 11 40.825 5.647 7.742
81 HD13 ILE 11 HD13 ILE 11 39.118 5.281 7.995
82 H GLU 12 H GLU 12 42.352 1.274 7.417
83 HA GLU 12 HA GLU 12 44.888 1.213 6.335
84 HB2 GLU 12 HB2 GLU 12 43.532 -0.212 8.550
85 HB3 GLU 12 HB3 GLU 12 45.036 -0.917 7.975
86 HG2 GLU 12 HG2 GLU 12 46.291 0.712 8.864
87 HG3 GLU 12 HG3 GLU 12 45.133 1.975 8.445
88 H SER 13 H SER 13 42.382 -1.255 6.126
89 HA SER 13 HA SER 13 43.760 -3.336 5.038
90 HG SER 13 HG SER 13 40.477 -3.141 5.998
91 HB2 SER 13 HB2 SER 13 41.059 -2.252 4.200
92 HB3 SER 13 HB3 SER 13 41.686 -3.824 3.705
93 H LEU 14 H LEU 14 43.088 -0.223 3.629
94 HA LEU 14 HA LEU 14 43.795 -0.997 0.959
95 HG LEU 14 HG LEU 14 41.323 1.752 0.908
96 HB2 LEU 14 HB2 LEU 14 43.350 1.677 2.259
97 HB3 LEU 14 HB3 LEU 14 43.726 1.480 0.549
98 HD11 LEU 14 HD11 LEU 14 41.093 0.468 -0.895
99 HD12 LEU 14 HD12 LEU 14 41.047 -0.959 0.137
100 HD13 LEU 14 HD13 LEU 14 42.586 -0.379 -0.492
101 HD21 LEU 14 HD21 LEU 14 40.032 0.178 2.156
102 HD22 LEU 14 HD22 LEU 14 41.339 0.738 3.192
103 HD23 LEU 14 HD23 LEU 14 41.437 -0.844 2.423
104 H SER 15 H SER 15 45.527 0.086 3.720
105 HA SER 15 HA SER 15 47.733 1.345 2.726
106 HG SER 15 HG SER 15 47.604 1.728 5.669
107 HB2 SER 15 HB2 SER 15 47.897 -0.852 4.798
108 HB3 SER 15 HB3 SER 15 48.979 0.530 4.622
109 H GLN 16 H GLN 16 46.714 -1.782 1.990
110 HA GLN 16 HA GLN 16 49.328 -2.673 1.029
111 HB2 GLN 16 HB2 GLN 16 48.551 -4.822 1.105
112 HB3 GLN 16 HB3 GLN 16 47.483 -4.109 2.303
113 HG2 GLN 16 HG2 GLN 16 46.085 -3.704 0.001
114 HG3 GLN 16 HG3 GLN 16 46.877 -5.246 -0.316
115 HE21 GLN 16 HE21 GLN 16 44.055 -4.622 0.116
116 HE22 GLN 16 HE22 GLN 16 43.551 -5.599 1.456
117 H MET 17 H MET 17 46.496 -1.155 -0.086
118 HA MET 17 HA MET 17 46.725 -2.082 -2.818
119 HB2 MET 17 HB2 MET 17 44.542 -1.647 -1.578
120 HB3 MET 17 HB3 MET 17 44.896 0.065 -1.743
121 HG2 MET 17 HG2 MET 17 43.346 -1.190 -3.443
122 HG3 MET 17 HG3 MET 17 44.438 0.088 -3.975
123 HE1 MET 17 HE1 MET 17 46.984 -0.926 -5.719
124 HE2 MET 17 HE2 MET 17 45.521 0.058 -5.718
125 HE3 MET 17 HE3 MET 17 45.699 -1.253 -6.881
126 H LEU 18 H LEU 18 46.595 1.181 -1.345
127 HA LEU 18 HA LEU 18 47.626 2.483 -3.632
128 HG LEU 18 HG LEU 18 46.552 4.908 -3.224
129 HB2 LEU 18 HB2 LEU 18 46.425 3.394 -1.429
130 HB3 LEU 18 HB3 LEU 18 48.095 3.689 -0.954
131 HD11 LEU 18 HD11 LEU 18 48.356 6.512 -1.587
132 HD12 LEU 18 HD12 LEU 18 47.046 5.747 -0.687
133 HD13 LEU 18 HD13 LEU 18 46.680 6.797 -2.055
134 HD21 LEU 18 HD21 LEU 18 49.542 4.764 -2.911
135 HD22 LEU 18 HD22 LEU 18 48.714 5.931 -3.941
136 HD23 LEU 18 HD23 LEU 18 48.574 4.205 -4.275
137 H SER 19 H SER 19 49.141 1.419 -0.645
138 HA SER 19 HA SER 19 51.639 2.353 -0.739
139 HG SER 19 HG SER 19 53.225 0.130 0.687
140 HB2 SER 19 HB2 SER 19 51.268 0.835 0.984
141 HB3 SER 19 HB3 SER 19 50.663 -0.411 -0.108
142 H MET 20 H MET 20 50.285 0.219 -3.174
143 HA MET 20 HA MET 20 52.946 -0.042 -4.385
144 HB2 MET 20 HB2 MET 20 52.159 -1.953 -5.558
145 HB3 MET 20 HB3 MET 20 51.639 -2.122 -3.887
146 HG2 MET 20 HG2 MET 20 49.436 -1.878 -4.395
147 HG3 MET 20 HG3 MET 20 49.761 -0.855 -5.801
148 HE1 MET 20 HE1 MET 20 47.812 -2.279 -7.133
149 HE2 MET 20 HE2 MET 20 47.604 -3.183 -5.634
150 HE3 MET 20 HE3 MET 20 47.814 -4.043 -7.159
151 H GLY 21 H GLY 21 50.540 2.115 -4.628
152 HA2 GLY 21 HA2 GLY 21 50.847 3.724 -6.452
153 HA3 GLY 21 HA3 GLY 21 50.912 2.354 -7.545
154 H PHE 22 H PHE 22 48.531 1.814 -5.215
155 HA PHE 22 HA PHE 22 46.268 1.675 -5.368
156 HD1 PHE 22 HD2 PHE 22 43.949 3.849 -7.299
157 HD2 PHE 22 HD1 PHE 22 47.859 5.502 -7.022
158 HE1 PHE 22 HE2 PHE 22 43.499 5.213 -9.292
159 HE2 PHE 22 HE1 PHE 22 47.414 6.879 -9.025
160 HZ PHE 22 HZ PHE 22 45.225 6.727 -10.155
161 HB2 PHE 22 HB2 PHE 22 45.272 3.707 -5.260
162 HB3 PHE 22 HB3 PHE 22 46.934 4.267 -5.213
163 H SER 23 H SER 23 44.484 1.203 -6.730
164 HA SER 23 HA SER 23 44.291 1.754 -9.441
165 HG SER 23 HG SER 23 47.398 -0.189 -9.253
166 HB2 SER 23 HB2 SER 23 44.991 -0.957 -9.810
167 HB3 SER 23 HB3 SER 23 45.802 0.470 -10.459
168 H ASP 24 H ASP 24 42.109 1.805 -9.000
169 HA ASP 24 HA ASP 24 40.845 -0.839 -8.790
170 HB2 ASP 24 HB2 ASP 24 40.661 0.340 -6.601
171 HB3 ASP 24 HB3 ASP 24 39.776 1.635 -7.417
172 H GLU 25 H GLU 25 39.984 -1.152 -10.719
173 HA GLU 25 HA GLU 25 37.829 0.321 -11.676
174 HB2 GLU 25 HB2 GLU 25 40.367 1.495 -12.301
175 HB3 GLU 25 HB3 GLU 25 39.605 0.943 -13.785
176 HG2 GLU 25 HG2 GLU 25 37.514 2.152 -12.896
177 HG3 GLU 25 HG3 GLU 25 38.635 2.964 -11.807
178 H GLY 26 H GLY 26 38.718 -2.384 -11.349
179 HA2 GLY 26 HA2 GLY 26 37.996 -3.356 -13.995
180 HA3 GLY 26 HA3 GLY 26 39.569 -3.879 -13.389
181 H GLY 27 H GLY 27 36.754 -3.358 -11.342
182 HA2 GLY 27 HA2 GLY 27 35.751 -4.806 -9.860
183 HA3 GLY 27 HA3 GLY 27 35.554 -5.806 -11.292
184 H TRP 28 H TRP 28 38.398 -4.886 -9.363
185 HA TRP 28 HA TRP 28 38.881 -7.753 -8.909
186 HD1 TRP 28 HD1 TRP 28 40.513 -3.933 -10.537
187 HE1 TRP 28 HE1 TRP 28 42.235 -2.360 -9.448
188 HE3 TRP 28 HE3 TRP 28 42.738 -7.248 -7.347
189 HZ2 TRP 28 HZ2 TRP 28 44.269 -2.506 -7.500
190 HZ3 TRP 28 HZ3 TRP 28 44.567 -6.453 -5.906
191 HH2 TRP 28 HH2 TRP 28 45.318 -4.130 -5.979
192 HB2 TRP 28 HB2 TRP 28 41.198 -7.511 -9.305
193 HB3 TRP 28 HB3 TRP 28 40.405 -6.646 -10.625
194 H LEU 29 H LEU 29 38.909 -4.516 -7.624
195 HA LEU 29 HA LEU 29 40.181 -5.286 -5.148
196 HG LEU 29 HG LEU 29 41.672 -2.896 -5.304
197 HB2 LEU 29 HB2 LEU 29 39.655 -2.862 -6.455
198 HB3 LEU 29 HB3 LEU 29 38.693 -2.812 -4.978
199 HD11 LEU 29 HD11 LEU 29 39.638 -1.174 -4.021
200 HD12 LEU 29 HD12 LEU 29 41.131 -0.744 -4.854
201 HD13 LEU 29 HD13 LEU 29 41.187 -1.335 -3.192
202 HD21 LEU 29 HD21 LEU 29 41.739 -4.578 -3.800
203 HD22 LEU 29 HD22 LEU 29 40.099 -4.275 -3.226
204 HD23 LEU 29 HD23 LEU 29 41.432 -3.273 -2.653
205 H THR 30 H THR 30 36.890 -4.331 -6.154
206 HA THR 30 HA THR 30 35.506 -4.451 -3.837
207 HB THR 30 HB THR 30 34.887 -5.168 -6.641
208 HG1 THR 30 HG1 THR 30 33.245 -3.746 -4.869
209 HG21 THR 30 HG21 THR 30 33.630 -6.955 -5.994
210 HG22 THR 30 HG22 THR 30 32.459 -5.652 -5.791
211 HG23 THR 30 HG23 THR 30 33.313 -6.297 -4.390
212 H ARG 31 H ARG 31 36.238 -7.290 -5.851
213 HA ARG 31 HA ARG 31 35.179 -9.287 -4.311
214 HE ARG 31 HE ARG 31 35.797 -10.592 -9.803
215 HB2 ARG 31 HB2 ARG 31 37.823 -9.400 -5.771
216 HB3 ARG 31 HB3 ARG 31 36.857 -10.784 -5.279
217 HG2 ARG 31 HG2 ARG 31 35.004 -9.742 -6.717
218 HG3 ARG 31 HG3 ARG 31 36.301 -8.771 -7.419
219 HD2 ARG 31 HD2 ARG 31 37.443 -10.694 -8.198
220 HD3 ARG 31 HD3 ARG 31 36.420 -11.770 -7.242
221 HH11 ARG 31 HH11 ARG 31 34.546 -12.110 -6.930
222 HH12 ARG 31 HH12 ARG 31 33.087 -12.647 -7.695
223 HH21 ARG 31 HH21 ARG 31 33.883 -11.293 -10.818
224 HH22 ARG 31 HH22 ARG 31 32.711 -12.185 -9.905
225 H LEU 32 H LEU 32 38.639 -8.386 -4.155
226 HA LEU 32 HA LEU 32 39.057 -9.764 -1.720
227 HG LEU 32 HG LEU 32 42.561 -8.184 -1.737
228 HB2 LEU 32 HB2 LEU 32 41.017 -9.499 -2.893
229 HB3 LEU 32 HB3 LEU 32 40.626 -7.862 -3.382
230 HD11 LEU 32 HD11 LEU 32 41.008 -6.081 -2.240
231 HD12 LEU 32 HD12 LEU 32 42.283 -6.047 -1.023
232 HD13 LEU 32 HD13 LEU 32 40.607 -6.307 -0.538
233 HD21 LEU 32 HD21 LEU 32 41.047 -7.986 0.625
234 HD22 LEU 32 HD22 LEU 32 42.146 -9.279 0.143
235 HD23 LEU 32 HD23 LEU 32 40.430 -9.386 -0.254
236 H LEU 33 H LEU 33 38.795 -6.306 -2.434
237 HA LEU 33 HA LEU 33 39.065 -5.314 0.119
238 HG LEU 33 HG LEU 33 37.688 -2.207 -0.479
239 HB2 LEU 33 HB2 LEU 33 38.484 -4.239 -2.316
240 HB3 LEU 33 HB3 LEU 33 36.947 -4.039 -1.497
241 HD11 LEU 33 HD11 LEU 33 39.503 -2.184 1.088
242 HD12 LEU 33 HD12 LEU 33 40.161 -3.675 0.413
243 HD13 LEU 33 HD13 LEU 33 38.616 -3.696 1.266
244 HD21 LEU 33 HD21 LEU 33 39.279 -2.487 -2.659
245 HD22 LEU 33 HD22 LEU 33 40.469 -2.263 -1.377
246 HD23 LEU 33 HD23 LEU 33 39.212 -1.053 -1.636
247 H GLN 34 H GLN 34 36.037 -6.273 -1.506
248 HA GLN 34 HA GLN 34 34.193 -5.737 0.407
249 HB2 GLN 34 HB2 GLN 34 34.435 -7.976 -1.549
250 HB3 GLN 34 HB3 GLN 34 33.166 -8.063 -0.337
251 HG2 GLN 34 HG2 GLN 34 33.522 -6.104 -2.559
252 HG3 GLN 34 HG3 GLN 34 32.104 -7.067 -2.126
253 HE21 GLN 34 HE21 GLN 34 34.058 -4.292 -1.273
254 HE22 GLN 34 HE22 GLN 34 32.840 -3.471 -0.341
255 H THR 35 H THR 35 36.718 -8.063 0.627
256 HA THR 35 HA THR 35 35.665 -9.720 2.644
257 HB THR 35 HB THR 35 38.540 -8.954 2.091
258 HG1 THR 35 HG1 THR 35 36.814 -10.517 0.790
259 HG21 THR 35 HG21 THR 35 38.621 -9.874 4.233
260 HG22 THR 35 HG22 THR 35 38.986 -11.220 3.154
261 HG23 THR 35 HG23 THR 35 37.379 -11.068 3.863
262 H LYS 36 H LYS 36 37.498 -6.704 2.773
263 HA LYS 36 HA LYS 36 36.682 -6.426 5.584
264 HB2 LYS 36 HB2 LYS 36 38.807 -5.445 6.158
265 HB3 LYS 36 HB3 LYS 36 39.081 -7.024 5.420
266 HG2 LYS 36 HG2 LYS 36 39.320 -4.376 3.997
267 HG3 LYS 36 HG3 LYS 36 40.670 -5.319 4.645
268 HD2 LYS 36 HD2 LYS 36 39.375 -7.179 3.133
269 HD3 LYS 36 HD3 LYS 36 39.106 -5.708 2.199
270 HE2 LYS 36 HE2 LYS 36 41.107 -6.247 1.314
271 HE3 LYS 36 HE3 LYS 36 41.712 -5.416 2.744
272 HZ1 LYS 36 HZ1 LYS 36 42.436 -7.327 3.655
273 HZ2 LYS 36 HZ2 LYS 36 42.443 -7.876 2.055
274 HZ3 LYS 36 HZ3 LYS 36 41.140 -8.244 3.070
275 H ASN 37 H ASN 37 36.438 -5.099 2.574
276 HA ASN 37 HA ASN 37 36.477 -2.353 3.490
277 HB2 ASN 37 HB2 ASN 37 37.222 -2.286 1.328
278 HB3 ASN 37 HB3 ASN 37 36.294 -3.710 0.851
279 HD21 ASN 37 HD21 ASN 37 35.329 -2.976 -0.917
280 HD22 ASN 37 HD22 ASN 37 34.227 -1.637 -0.962
281 H TYR 38 H TYR 38 34.042 -3.710 1.356
282 HA TYR 38 HA TYR 38 31.871 -4.378 1.995
283 HD1 TYR 38 HD1 TYR 38 32.021 -5.854 3.521
284 HD2 TYR 38 HD2 TYR 38 32.629 -2.657 6.261
285 HE1 TYR 38 HE1 TYR 38 32.903 -7.444 5.176
286 HE2 TYR 38 HE2 TYR 38 33.513 -4.234 7.924
287 HH TYR 38 HH TYR 38 33.660 -7.722 7.244
288 HB2 TYR 38 HB2 TYR 38 32.046 -2.166 4.061
289 HB3 TYR 38 HB3 TYR 38 30.656 -3.206 3.773
290 H ASP 39 H ASP 39 33.116 -1.093 1.962
291 HA ASP 39 HA ASP 39 31.342 -0.477 -0.280
292 HB2 ASP 39 HB2 ASP 39 30.459 0.455 1.943
293 HB3 ASP 39 HB3 ASP 39 31.833 1.557 1.886
294 H ILE 40 H ILE 40 32.853 -0.290 -1.874
295 HA ILE 40 HA ILE 40 35.473 0.349 -1.788
296 HB ILE 40 HB ILE 40 33.426 1.041 -3.889
297 HG12 ILE 40 HG12 ILE 40 35.442 -1.128 -3.439
298 HG13 ILE 40 HG13 ILE 40 33.743 -1.257 -3.906
299 HG21 ILE 40 HG21 ILE 40 34.870 2.163 -5.183
300 HG22 ILE 40 HG22 ILE 40 36.213 1.099 -4.772
301 HG23 ILE 40 HG23 ILE 40 35.786 2.429 -3.703
302 HD11 ILE 40 HD11 ILE 40 34.602 -1.729 -5.919
303 HD12 ILE 40 HD12 ILE 40 36.146 -0.956 -5.562
304 HD13 ILE 40 HD13 ILE 40 34.765 0.021 -6.058
305 H GLY 41 H GLY 41 32.768 2.544 -1.488
306 HA2 GLY 41 HA2 GLY 41 34.177 4.978 -1.815
307 HA3 GLY 41 HA3 GLY 41 32.656 4.782 -0.943
308 H ALA 42 H ALA 42 34.449 2.629 0.524
309 HA ALA 42 HA ALA 42 35.374 4.473 2.603
310 HB1 ALA 42 HB1 ALA 42 34.794 2.928 4.156
311 HB2 ALA 42 HB2 ALA 42 35.326 1.573 3.159
312 HB3 ALA 42 HB3 ALA 42 33.750 2.318 2.872
313 H ALA 43 H ALA 43 36.265 1.519 0.836
314 HA ALA 43 HA ALA 43 38.972 1.628 1.815
315 HB1 ALA 43 HB1 ALA 43 37.788 -0.498 1.403
316 HB2 ALA 43 HB2 ALA 43 39.316 -0.384 0.531
317 HB3 ALA 43 HB3 ALA 43 37.795 -0.138 -0.323
318 H LEU 44 H LEU 44 37.807 1.420 -1.545
319 HA LEU 44 HA LEU 44 40.092 2.230 -2.785
320 HG LEU 44 HG LEU 44 38.474 1.581 -5.765
321 HB2 LEU 44 HB2 LEU 44 37.685 1.527 -3.667
322 HB3 LEU 44 HB3 LEU 44 37.508 3.266 -3.860
323 HD11 LEU 44 HD11 LEU 44 39.543 3.781 -6.677
324 HD12 LEU 44 HD12 LEU 44 38.761 4.501 -5.268
325 HD13 LEU 44 HD13 LEU 44 37.795 3.652 -6.472
326 HD21 LEU 44 HD21 LEU 44 40.522 1.057 -4.641
327 HD22 LEU 44 HD22 LEU 44 40.847 2.764 -4.351
328 HD23 LEU 44 HD23 LEU 44 40.895 2.135 -5.988
329 H ASP 45 H ASP 45 37.600 4.281 -1.345
330 HA ASP 45 HA ASP 45 38.286 6.736 -2.309
331 HB2 ASP 45 HB2 ASP 45 36.385 6.166 -0.767
332 HB3 ASP 45 HB3 ASP 45 37.534 6.237 0.565
333 H THR 46 H THR 46 40.240 4.782 -0.228
334 HA THR 46 HA THR 46 41.774 7.093 0.657
335 HB THR 46 HB THR 46 41.142 5.137 2.174
336 HG1 THR 46 HG1 THR 46 43.107 6.762 2.246
337 HG21 THR 46 HG21 THR 46 43.633 3.822 1.248
338 HG22 THR 46 HG22 THR 46 42.125 3.481 0.397
339 HG23 THR 46 HG23 THR 46 42.255 3.159 2.125
340 H ILE 47 H ILE 47 42.154 4.372 -1.515
341 HA ILE 47 HA ILE 47 44.951 4.662 -1.903
342 HB ILE 47 HB ILE 47 43.690 3.807 -4.347
343 HG12 ILE 47 HG12 ILE 47 41.761 3.279 -2.872
344 HG13 ILE 47 HG13 ILE 47 42.495 1.851 -3.585
345 HG21 ILE 47 HG21 ILE 47 44.999 1.819 -3.971
346 HG22 ILE 47 HG22 ILE 47 45.230 2.250 -2.278
347 HG23 ILE 47 HG23 ILE 47 45.944 3.237 -3.548
348 HD11 ILE 47 HD11 ILE 47 43.582 2.581 -0.977
349 HD12 ILE 47 HD12 ILE 47 43.077 1.013 -1.607
350 HD13 ILE 47 HD13 ILE 47 41.875 2.137 -0.968
351 H GLN 48 H GLN 48 42.308 6.564 -2.755
352 HA GLN 48 HA GLN 48 44.010 8.409 -4.234
353 HB2 GLN 48 HB2 GLN 48 41.424 7.453 -5.481
354 HB3 GLN 48 HB3 GLN 48 42.545 8.622 -6.158
355 HG2 GLN 48 HG2 GLN 48 43.546 6.993 -7.237
356 HG3 GLN 48 HG3 GLN 48 44.007 6.270 -5.701
357 HE21 GLN 48 HE21 GLN 48 41.816 5.321 -4.643
358 HE22 GLN 48 HE22 GLN 48 41.044 4.164 -5.673
359 H TYR 49 H TYR 49 41.827 9.969 -5.229
360 HA TYR 49 HA TYR 49 40.501 11.710 -4.599
361 HD1 TYR 49 HD1 TYR 49 40.220 7.853 -3.031
362 HD2 TYR 49 HD2 TYR 49 37.614 10.398 -5.227
363 HE1 TYR 49 HE1 TYR 49 39.469 5.922 -4.350
364 HE2 TYR 49 HE2 TYR 49 36.841 8.473 -6.548
365 HH TYR 49 HH TYR 49 37.128 5.436 -5.725
366 HB2 TYR 49 HB2 TYR 49 39.617 10.116 -2.214
367 HB3 TYR 49 HB3 TYR 49 38.671 11.199 -3.242
368 H SER 50 H SER 50 40.805 13.570 -3.549
369 HA SER 50 HA SER 50 42.385 13.503 -1.062
370 HG SER 50 HG SER 50 43.388 16.876 -2.477
371 HB2 SER 50 HB2 SER 50 43.914 14.867 -1.975
372 HB3 SER 50 HB3 SER 50 43.114 14.626 -3.527
373 H LYS 51 H LYS 51 39.397 13.996 -2.103
374 HA LYS 51 HA LYS 51 38.489 15.369 0.138
375 HB2 LYS 51 HB2 LYS 51 39.676 17.129 -1.686
376 HB3 LYS 51 HB3 LYS 51 37.944 17.334 -1.913
377 HG2 LYS 51 HG2 LYS 51 38.433 17.264 0.872
378 HG3 LYS 51 HG3 LYS 51 39.608 18.362 0.144
379 HD2 LYS 51 HD2 LYS 51 36.606 18.478 -0.022
380 HD3 LYS 51 HD3 LYS 51 37.704 19.670 0.676
381 HE2 LYS 51 HE2 LYS 51 38.446 19.212 -2.038
382 HE3 LYS 51 HE3 LYS 51 36.712 19.528 -1.972
383 HZ1 LYS 51 HZ1 LYS 51 38.178 21.530 -2.216
384 HZ2 LYS 51 HZ2 LYS 51 38.714 21.257 -0.636
385 HZ3 LYS 51 HZ3 LYS 51 37.082 21.595 -0.928
386 H HIS 52 H HIS 52 36.188 16.332 -0.278
387 HA HIS 52 HA HIS 52 34.703 14.264 -1.643
388 HD1 HIS 52 HD1 HIS 52 31.278 15.305 1.071
389 HD2 HIS 52 HD2 HIS 52 34.149 12.704 -0.426
390 HE1 HIS 52 HE1 HIS 52 30.492 12.972 1.651
391 HB2 HIS 52 HB2 HIS 52 34.219 16.074 0.512
392 HB3 HIS 52 HB3 HIS 52 32.981 16.341 -0.715
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 34.145 10.089 10.292
2 H2 GLY 1 2H GLY 1 33.637 11.013 11.615
3 H3 GLY 1 3H GLY 1 32.785 11.087 10.155
4 HA2 GLY 1 HA2 GLY 1 32.376 9.363 12.323
5 HA3 GLY 1 HA3 GLY 1 31.458 9.473 10.829
6 H SER 2 H SER 2 34.140 7.885 12.440
7 HA SER 2 HA SER 2 34.514 6.015 10.254
8 HG SER 2 HG SER 2 36.434 6.104 10.064
9 HB2 SER 2 HB2 SER 2 35.984 6.781 12.661
10 HB3 SER 2 HB3 SER 2 35.956 5.035 12.408
11 HA PRO 3 HA PRO 3 31.611 3.141 12.010
12 HB2 PRO 3 HB2 PRO 3 31.729 1.287 10.114
13 HB3 PRO 3 HB3 PRO 3 31.100 2.900 9.748
14 HG2 PRO 3 HG2 PRO 3 33.811 1.752 9.187
15 HG3 PRO 3 HG3 PRO 3 32.776 2.737 8.135
16 HD2 PRO 3 HD2 PRO 3 34.874 3.719 9.649
17 HD3 PRO 3 HD3 PRO 3 33.512 4.693 9.059
18 HA PRO 4 HA PRO 4 34.520 0.715 14.482
19 HB2 PRO 4 HB2 PRO 4 31.923 -0.529 15.242
20 HB3 PRO 4 HB3 PRO 4 33.235 0.052 16.274
21 HG2 PRO 4 HG2 PRO 4 30.991 1.460 16.009
22 HG3 PRO 4 HG3 PRO 4 32.567 2.266 16.101
23 HD2 PRO 4 HD2 PRO 4 30.811 1.801 13.738
24 HD3 PRO 4 HD3 PRO 4 31.876 3.174 14.100
25 H GLU 5 H GLU 5 35.607 -0.832 13.484
26 HA GLU 5 HA GLU 5 35.977 -3.061 12.886
27 HB2 GLU 5 HB2 GLU 5 33.485 -3.457 13.602
28 HB3 GLU 5 HB3 GLU 5 33.171 -3.356 11.875
29 HG2 GLU 5 HG2 GLU 5 35.362 -5.098 12.220
30 HG3 GLU 5 HG3 GLU 5 34.134 -5.558 13.399
31 H ALA 6 H ALA 6 34.606 -0.488 11.211
32 HA ALA 6 HA ALA 6 35.726 -1.485 8.676
33 HB1 ALA 6 HB1 ALA 6 33.987 0.132 7.633
34 HB2 ALA 6 HB2 ALA 6 33.163 -0.028 9.183
35 HB3 ALA 6 HB3 ALA 6 33.462 -1.456 8.191
36 H ASP 7 H ASP 7 37.035 0.035 10.761
37 HA ASP 7 HA ASP 7 37.598 2.502 9.257
38 HB2 ASP 7 HB2 ASP 7 36.866 3.588 11.091
39 HB3 ASP 7 HB3 ASP 7 36.923 2.140 12.084
40 HA PRO 8 HA PRO 8 41.795 1.016 11.023
41 HB2 PRO 8 HB2 PRO 8 41.408 -1.436 12.507
42 HB3 PRO 8 HB3 PRO 8 42.038 0.108 13.082
43 HG2 PRO 8 HG2 PRO 8 39.633 -0.939 13.861
44 HG3 PRO 8 HG3 PRO 8 40.001 0.795 13.855
45 HD2 PRO 8 HD2 PRO 8 38.455 -0.826 11.871
46 HD3 PRO 8 HD3 PRO 8 38.145 0.813 12.479
47 H ARG 9 H ARG 9 39.811 -1.924 10.769
48 HA ARG 9 HA ARG 9 41.584 -3.558 9.441
49 HE ARG 9 HE ARG 9 37.702 -4.404 12.525
50 HB2 ARG 9 HB2 ARG 9 38.624 -3.387 9.604
51 HB3 ARG 9 HB3 ARG 9 39.288 -4.383 8.317
52 HG2 ARG 9 HG2 ARG 9 38.917 -5.832 10.124
53 HG3 ARG 9 HG3 ARG 9 40.657 -5.542 10.096
54 HD2 ARG 9 HD2 ARG 9 40.495 -4.980 12.244
55 HD3 ARG 9 HD3 ARG 9 39.650 -3.523 11.712
56 HH11 ARG 9 HH11 ARG 9 40.059 -6.954 12.242
57 HH12 ARG 9 HH12 ARG 9 39.075 -8.130 13.048
58 HH21 ARG 9 HH21 ARG 9 36.400 -5.943 13.591
59 HH22 ARG 9 HH22 ARG 9 36.994 -7.554 13.816
60 H LEU 10 H LEU 10 39.351 -1.188 8.081
61 HA LEU 10 HA LEU 10 39.998 -1.746 5.365
62 HG LEU 10 HG LEU 10 36.769 -0.175 5.083
63 HB2 LEU 10 HB2 LEU 10 38.310 0.129 6.817
64 HB3 LEU 10 HB3 LEU 10 39.080 0.871 5.417
65 HD11 LEU 10 HD11 LEU 10 39.138 -0.832 3.357
66 HD12 LEU 10 HD12 LEU 10 37.986 0.492 3.181
67 HD13 LEU 10 HD13 LEU 10 37.476 -1.168 2.868
68 HD21 LEU 10 HD21 LEU 10 36.472 -2.313 5.584
69 HD22 LEU 10 HD22 LEU 10 38.154 -2.427 6.105
70 HD23 LEU 10 HD23 LEU 10 37.724 -2.766 4.427
71 H ILE 11 H ILE 11 40.746 1.163 7.314
72 HA ILE 11 HA ILE 11 42.415 2.514 5.712
73 HB ILE 11 HB ILE 11 42.889 1.952 8.637
74 HG12 ILE 11 HG12 ILE 11 40.782 3.192 7.729
75 HG13 ILE 11 HG13 ILE 11 41.678 3.898 9.081
76 HG21 ILE 11 HG21 ILE 11 44.938 2.788 8.261
77 HG22 ILE 11 HG22 ILE 11 44.109 4.338 8.137
78 HG23 ILE 11 HG23 ILE 11 44.494 3.426 6.677
79 HD11 ILE 11 HD11 ILE 11 42.139 5.729 7.919
80 HD12 ILE 11 HD12 ILE 11 40.968 5.156 6.732
81 HD13 ILE 11 HD13 ILE 11 42.683 4.802 6.520
82 H GLU 12 H GLU 12 43.383 -0.342 7.601
83 HA GLU 12 HA GLU 12 46.037 -0.299 6.484
84 HB2 GLU 12 HB2 GLU 12 45.718 -1.144 8.758
85 HB3 GLU 12 HB3 GLU 12 44.630 -2.387 8.158
86 HG2 GLU 12 HG2 GLU 12 46.859 -2.862 6.678
87 HG3 GLU 12 HG3 GLU 12 47.553 -2.297 8.198
88 H SER 13 H SER 13 43.180 -2.363 6.190
89 HA SER 13 HA SER 13 44.167 -4.147 4.316
90 HG SER 13 HG SER 13 41.086 -5.222 5.452
91 HB2 SER 13 HB2 SER 13 41.423 -3.081 4.897
92 HB3 SER 13 HB3 SER 13 41.669 -4.077 3.463
93 H LEU 14 H LEU 14 43.555 -0.761 4.042
94 HA LEU 14 HA LEU 14 43.409 -0.826 1.139
95 HG LEU 14 HG LEU 14 41.260 1.523 1.090
96 HB2 LEU 14 HB2 LEU 14 43.124 1.283 3.244
97 HB3 LEU 14 HB3 LEU 14 43.416 1.745 1.571
98 HD11 LEU 14 HD11 LEU 14 40.038 -0.666 1.669
99 HD12 LEU 14 HD12 LEU 14 41.627 -1.246 2.170
100 HD13 LEU 14 HD13 LEU 14 41.363 -0.722 0.506
101 HD21 LEU 14 HD21 LEU 14 41.273 2.065 3.685
102 HD22 LEU 14 HD22 LEU 14 40.465 0.499 3.753
103 HD23 LEU 14 HD23 LEU 14 39.778 1.803 2.787
104 H SER 15 H SER 15 45.805 -0.726 3.498
105 HA SER 15 HA SER 15 47.668 1.061 2.404
106 HG SER 15 HG SER 15 49.988 0.291 4.447
107 HB2 SER 15 HB2 SER 15 47.646 -0.861 4.482
108 HB3 SER 15 HB3 SER 15 49.009 -1.265 3.439
109 H GLN 16 H GLN 16 47.554 -2.394 2.159
110 HA GLN 16 HA GLN 16 49.351 -3.097 0.331
111 HB2 GLN 16 HB2 GLN 16 47.609 -4.689 -0.687
112 HB3 GLN 16 HB3 GLN 16 47.928 -4.826 1.036
113 HG2 GLN 16 HG2 GLN 16 45.904 -3.818 1.611
114 HG3 GLN 16 HG3 GLN 16 45.677 -3.149 -0.004
115 HE21 GLN 16 HE21 GLN 16 43.527 -4.208 0.571
116 HE22 GLN 16 HE22 GLN 16 43.316 -5.839 0.022
117 H MET 17 H MET 17 46.439 -1.246 -0.402
118 HA MET 17 HA MET 17 47.090 -1.215 -3.242
119 HB2 MET 17 HB2 MET 17 44.779 -1.487 -2.831
120 HB3 MET 17 HB3 MET 17 44.753 -0.183 -1.655
121 HG2 MET 17 HG2 MET 17 43.804 0.201 -4.044
122 HG3 MET 17 HG3 MET 17 44.757 1.459 -3.254
123 HE1 MET 17 HE1 MET 17 45.726 -0.864 -7.024
124 HE2 MET 17 HE2 MET 17 44.230 -0.820 -6.094
125 HE3 MET 17 HE3 MET 17 45.571 -1.830 -5.557
126 H LEU 18 H LEU 18 46.457 1.217 -0.689
127 HA LEU 18 HA LEU 18 46.929 3.565 -1.878
128 HG LEU 18 HG LEU 18 46.008 4.698 -0.200
129 HB2 LEU 18 HB2 LEU 18 47.780 2.495 0.759
130 HB3 LEU 18 HB3 LEU 18 48.524 4.006 0.245
131 HD11 LEU 18 HD11 LEU 18 44.872 2.711 0.306
132 HD12 LEU 18 HD12 LEU 18 44.642 3.734 1.725
133 HD13 LEU 18 HD13 LEU 18 45.830 2.432 1.759
134 HD21 LEU 18 HD21 LEU 18 47.727 5.649 1.412
135 HD22 LEU 18 HD22 LEU 18 46.992 4.610 2.634
136 HD23 LEU 18 HD23 LEU 18 46.028 5.855 1.838
137 H SER 19 H SER 19 49.510 1.492 -0.738
138 HA SER 19 HA SER 19 51.762 2.715 -1.506
139 HG SER 19 HG SER 19 53.257 -0.612 -1.964
140 HB2 SER 19 HB2 SER 19 52.184 0.696 -0.489
141 HB3 SER 19 HB3 SER 19 51.000 -0.168 -1.470
142 H MET 20 H MET 20 49.344 1.681 -3.738
143 HA MET 20 HA MET 20 51.169 1.697 -6.010
144 HB2 MET 20 HB2 MET 20 48.487 0.716 -5.498
145 HB3 MET 20 HB3 MET 20 48.516 1.726 -6.936
146 HG2 MET 20 HG2 MET 20 50.741 -0.100 -6.924
147 HG3 MET 20 HG3 MET 20 49.208 -0.961 -6.740
148 HE1 MET 20 HE1 MET 20 47.221 0.002 -9.879
149 HE2 MET 20 HE2 MET 20 47.100 0.099 -8.122
150 HE3 MET 20 HE3 MET 20 47.557 -1.420 -8.892
151 H GLY 21 H GLY 21 48.977 3.661 -4.267
152 HA2 GLY 21 HA2 GLY 21 48.823 5.976 -4.260
153 HA3 GLY 21 HA3 GLY 21 49.763 6.022 -5.746
154 H PHE 22 H PHE 22 46.744 4.232 -5.030
155 HA PHE 22 HA PHE 22 45.344 6.054 -6.844
156 HD1 PHE 22 HD1 PHE 22 43.776 6.024 -8.601
157 HD2 PHE 22 HD2 PHE 22 44.338 1.811 -8.431
158 HE1 PHE 22 HE1 PHE 22 41.623 5.698 -9.750
159 HE2 PHE 22 HE2 PHE 22 42.185 1.473 -9.582
160 HZ PHE 22 HZ PHE 22 40.826 3.419 -10.243
161 HB2 PHE 22 HB2 PHE 22 46.198 4.567 -8.446
162 HB3 PHE 22 HB3 PHE 22 45.870 3.161 -7.440
163 H SER 23 H SER 23 44.098 2.858 -6.437
164 HA SER 23 HA SER 23 42.678 2.907 -4.108
165 HG SER 23 HG SER 23 40.975 5.398 -3.815
166 HB2 SER 23 HB2 SER 23 41.790 5.039 -5.701
167 HB3 SER 23 HB3 SER 23 40.568 3.784 -5.909
168 H ASP 24 H ASP 24 40.060 2.146 -5.149
169 HA ASP 24 HA ASP 24 40.809 -0.178 -6.790
170 HB2 ASP 24 HB2 ASP 24 38.833 -1.289 -5.445
171 HB3 ASP 24 HB3 ASP 24 40.472 -1.251 -4.784
172 H GLU 25 H GLU 25 39.986 0.328 -8.717
173 HA GLU 25 HA GLU 25 37.113 0.432 -9.001
174 HB2 GLU 25 HB2 GLU 25 37.191 2.726 -8.860
175 HB3 GLU 25 HB3 GLU 25 38.851 2.813 -9.432
176 HG2 GLU 25 HG2 GLU 25 38.225 2.718 -11.660
177 HG3 GLU 25 HG3 GLU 25 36.651 2.015 -11.291
178 H GLY 26 H GLY 26 37.103 -1.350 -10.283
179 HA2 GLY 26 HA2 GLY 26 37.232 -1.411 -12.917
180 HA3 GLY 26 HA3 GLY 26 38.954 -1.502 -12.543
181 H GLY 27 H GLY 27 37.984 -3.029 -10.005
182 HA2 GLY 27 HA2 GLY 27 37.071 -5.219 -9.634
183 HA3 GLY 27 HA3 GLY 27 37.389 -5.594 -11.319
184 H TRP 28 H TRP 28 39.039 -4.785 -8.291
185 HA TRP 28 HA TRP 28 40.961 -6.895 -8.813
186 HD1 TRP 28 HD1 TRP 28 41.642 -2.160 -8.816
187 HE1 TRP 28 HE1 TRP 28 42.462 -0.952 -6.694
188 HE3 TRP 28 HE3 TRP 28 43.301 -6.208 -6.170
189 HZ2 TRP 28 HZ2 TRP 28 43.632 -1.633 -4.230
190 HZ3 TRP 28 HZ3 TRP 28 44.256 -5.842 -3.932
191 HH2 TRP 28 HH2 TRP 28 44.421 -3.598 -2.983
192 HB2 TRP 28 HB2 TRP 28 42.880 -5.631 -8.884
193 HB3 TRP 28 HB3 TRP 28 41.754 -4.554 -9.714
194 H LEU 29 H LEU 29 39.546 -4.564 -6.609
195 HA LEU 29 HA LEU 29 40.808 -5.804 -4.291
196 HG LEU 29 HG LEU 29 41.705 -3.498 -3.578
197 HB2 LEU 29 HB2 LEU 29 39.628 -3.264 -4.854
198 HB3 LEU 29 HB3 LEU 29 38.730 -4.008 -3.537
199 HD11 LEU 29 HD11 LEU 29 40.639 -2.142 -1.460
200 HD12 LEU 29 HD12 LEU 29 39.401 -1.936 -2.700
201 HD13 LEU 29 HD13 LEU 29 41.061 -1.432 -3.018
202 HD21 LEU 29 HD21 LEU 29 41.853 -4.432 -1.456
203 HD22 LEU 29 HD22 LEU 29 40.804 -5.554 -2.323
204 HD23 LEU 29 HD23 LEU 29 40.109 -4.381 -1.206
205 H THR 30 H THR 30 37.677 -5.424 -5.807
206 HA THR 30 HA THR 30 35.805 -6.378 -4.221
207 HB THR 30 HB THR 30 36.290 -7.521 -6.977
208 HG1 THR 30 HG1 THR 30 34.754 -5.271 -6.201
209 HG21 THR 30 HG21 THR 30 33.565 -7.057 -5.921
210 HG22 THR 30 HG22 THR 30 34.433 -8.488 -5.364
211 HG23 THR 30 HG23 THR 30 34.147 -8.245 -7.087
212 H ARG 31 H ARG 31 38.483 -8.346 -5.331
213 HA ARG 31 HA ARG 31 37.487 -10.866 -4.604
214 HE ARG 31 HE ARG 31 42.357 -8.845 -6.987
215 HB2 ARG 31 HB2 ARG 31 40.111 -11.221 -4.149
216 HB3 ARG 31 HB3 ARG 31 39.414 -11.189 -5.762
217 HG2 ARG 31 HG2 ARG 31 40.279 -9.122 -6.243
218 HG3 ARG 31 HG3 ARG 31 40.351 -8.636 -4.548
219 HD2 ARG 31 HD2 ARG 31 42.465 -9.301 -4.407
220 HD3 ARG 31 HD3 ARG 31 42.026 -10.918 -4.964
221 HH11 ARG 31 HH11 ARG 31 43.682 -11.626 -5.347
222 HH12 ARG 31 HH12 ARG 31 44.851 -11.951 -6.581
223 HH21 ARG 31 HH21 ARG 31 43.895 -9.270 -8.607
224 HH22 ARG 31 HH22 ARG 31 44.972 -10.614 -8.432
225 H LEU 32 H LEU 32 39.851 -8.922 -2.770
226 HA LEU 32 HA LEU 32 39.314 -10.408 -0.369
227 HG LEU 32 HG LEU 32 42.217 -10.159 0.734
228 HB2 LEU 32 HB2 LEU 32 41.520 -9.265 -1.189
229 HB3 LEU 32 HB3 LEU 32 40.869 -7.859 -0.374
230 HD11 LEU 32 HD11 LEU 32 43.068 -8.521 1.958
231 HD12 LEU 32 HD12 LEU 32 41.486 -8.165 2.650
232 HD13 LEU 32 HD13 LEU 32 41.986 -7.390 1.147
233 HD21 LEU 32 HD21 LEU 32 40.732 -10.329 2.758
234 HD22 LEU 32 HD22 LEU 32 40.106 -11.091 1.296
235 HD23 LEU 32 HD23 LEU 32 39.478 -9.526 1.813
236 H LEU 33 H LEU 33 39.339 -6.835 -0.685
237 HA LEU 33 HA LEU 33 37.957 -6.220 1.545
238 HG LEU 33 HG LEU 33 36.073 -3.999 -0.049
239 HB2 LEU 33 HB2 LEU 33 39.021 -4.511 0.370
240 HB3 LEU 33 HB3 LEU 33 38.129 -4.847 -1.106
241 HD11 LEU 33 HD11 LEU 33 37.901 -3.357 2.259
242 HD12 LEU 33 HD12 LEU 33 36.560 -4.502 2.263
243 HD13 LEU 33 HD13 LEU 33 36.245 -2.777 2.081
244 HD21 LEU 33 HD21 LEU 33 36.918 -2.279 -1.238
245 HD22 LEU 33 HD22 LEU 33 38.499 -2.378 -0.467
246 HD23 LEU 33 HD23 LEU 33 37.162 -1.583 0.364
247 H GLN 34 H GLN 34 36.445 -7.943 -0.960
248 HA GLN 34 HA GLN 34 33.848 -6.737 -0.446
249 HB2 GLN 34 HB2 GLN 34 34.631 -7.508 -2.754
250 HB3 GLN 34 HB3 GLN 34 34.350 -9.148 -2.177
251 HG2 GLN 34 HG2 GLN 34 32.405 -8.542 -3.333
252 HG3 GLN 34 HG3 GLN 34 32.000 -8.394 -1.617
253 HE21 GLN 34 HE21 GLN 34 32.013 -6.271 -0.680
254 HE22 GLN 34 HE22 GLN 34 31.655 -4.887 -1.670
255 H THR 35 H THR 35 35.765 -8.996 0.990
256 HA THR 35 HA THR 35 33.954 -11.067 1.614
257 HB THR 35 HB THR 35 36.418 -10.094 3.060
258 HG1 THR 35 HG1 THR 35 37.132 -12.195 2.114
259 HG21 THR 35 HG21 THR 35 35.130 -11.302 4.679
260 HG22 THR 35 HG22 THR 35 36.462 -12.319 4.127
261 HG23 THR 35 HG23 THR 35 34.827 -12.602 3.526
262 H LYS 36 H LYS 36 33.799 -7.850 2.518
263 HA LYS 36 HA LYS 36 32.322 -8.550 4.974
264 HB2 LYS 36 HB2 LYS 36 34.023 -6.183 4.295
265 HB3 LYS 36 HB3 LYS 36 32.762 -6.044 5.517
266 HG2 LYS 36 HG2 LYS 36 35.014 -6.535 6.432
267 HG3 LYS 36 HG3 LYS 36 33.794 -7.734 6.860
268 HD2 LYS 36 HD2 LYS 36 34.670 -9.325 5.395
269 HD3 LYS 36 HD3 LYS 36 35.553 -8.116 4.462
270 HE2 LYS 36 HE2 LYS 36 36.980 -7.726 6.478
271 HE3 LYS 36 HE3 LYS 36 36.175 -9.095 7.243
272 HZ1 LYS 36 HZ1 LYS 36 38.411 -9.368 5.905
273 HZ2 LYS 36 HZ2 LYS 36 37.346 -9.522 4.599
274 HZ3 LYS 36 HZ3 LYS 36 37.230 -10.579 5.913
275 H ASN 37 H ASN 37 32.178 -6.987 1.896
276 HA ASN 37 HA ASN 37 30.223 -6.600 0.711
277 HB2 ASN 37 HB2 ASN 37 28.793 -6.086 3.317
278 HB3 ASN 37 HB3 ASN 37 28.082 -6.390 1.728
279 HD21 ASN 37 HD21 ASN 37 29.645 -8.550 0.935
280 HD22 ASN 37 HD22 ASN 37 29.264 -9.910 1.949
281 H TYR 38 H TYR 38 32.330 -4.779 1.885
282 HA TYR 38 HA TYR 38 30.867 -2.370 1.259
283 HD1 TYR 38 HD1 TYR 38 34.098 -3.565 2.463
284 HD2 TYR 38 HD2 TYR 38 31.897 -2.212 5.847
285 HE1 TYR 38 HE1 TYR 38 35.760 -4.590 3.946
286 HE2 TYR 38 HE2 TYR 38 33.557 -3.239 7.339
287 HH TYR 38 HH TYR 38 36.443 -4.846 6.050
288 HB2 TYR 38 HB2 TYR 38 32.102 -1.116 3.055
289 HB3 TYR 38 HB3 TYR 38 30.883 -2.244 3.627
290 H ASP 39 H ASP 39 32.165 -3.318 -0.678
291 HA ASP 39 HA ASP 39 34.948 -2.639 -0.734
292 HB2 ASP 39 HB2 ASP 39 34.898 -3.399 -3.028
293 HB3 ASP 39 HB3 ASP 39 33.997 -4.532 -2.021
294 H ILE 40 H ILE 40 35.863 -1.226 -2.327
295 HA ILE 40 HA ILE 40 36.215 0.836 -3.209
296 HB ILE 40 HB ILE 40 33.745 -0.144 -4.284
297 HG12 ILE 40 HG12 ILE 40 35.003 1.776 -5.977
298 HG13 ILE 40 HG13 ILE 40 36.258 0.880 -5.116
299 HG21 ILE 40 HG21 ILE 40 33.019 2.155 -5.202
300 HG22 ILE 40 HG22 ILE 40 33.805 2.800 -3.764
301 HG23 ILE 40 HG23 ILE 40 32.469 1.659 -3.603
302 HD11 ILE 40 HD11 ILE 40 34.482 -1.073 -5.935
303 HD12 ILE 40 HD12 ILE 40 36.034 -0.679 -6.674
304 HD13 ILE 40 HD13 ILE 40 34.551 0.049 -7.293
305 H GLY 41 H GLY 41 32.897 1.171 -1.900
306 HA2 GLY 41 HA2 GLY 41 33.118 3.808 -1.078
307 HA3 GLY 41 HA3 GLY 41 32.025 2.631 -0.351
308 H ALA 42 H ALA 42 34.557 1.053 0.242
309 HA ALA 42 HA ALA 42 35.173 2.454 2.752
310 HB1 ALA 42 HB1 ALA 42 35.590 0.408 3.774
311 HB2 ALA 42 HB2 ALA 42 35.867 -0.416 2.240
312 HB3 ALA 42 HB3 ALA 42 34.232 0.048 2.709
313 H ALA 43 H ALA 43 36.770 0.379 0.347
314 HA ALA 43 HA ALA 43 39.382 1.075 1.101
315 HB1 ALA 43 HB1 ALA 43 38.151 -0.341 -1.180
316 HB2 ALA 43 HB2 ALA 43 39.450 -0.840 -0.096
317 HB3 ALA 43 HB3 ALA 43 39.783 0.284 -1.413
318 H LEU 44 H LEU 44 37.423 2.207 -1.655
319 HA LEU 44 HA LEU 44 39.244 3.946 -2.767
320 HG LEU 44 HG LEU 44 38.624 4.853 -4.605
321 HB2 LEU 44 HB2 LEU 44 36.665 3.262 -3.285
322 HB3 LEU 44 HB3 LEU 44 36.469 4.925 -2.734
323 HD11 LEU 44 HD11 LEU 44 36.115 3.865 -5.891
324 HD12 LEU 44 HD12 LEU 44 37.295 2.720 -5.253
325 HD13 LEU 44 HD13 LEU 44 37.768 3.867 -6.507
326 HD21 LEU 44 HD21 LEU 44 36.508 6.478 -3.912
327 HD22 LEU 44 HD22 LEU 44 36.108 5.956 -5.549
328 HD23 LEU 44 HD23 LEU 44 37.647 6.756 -5.230
329 H ASP 45 H ASP 45 36.540 5.043 -0.726
330 HA ASP 45 HA ASP 45 37.151 7.609 -0.316
331 HB2 ASP 45 HB2 ASP 45 35.936 7.563 1.698
332 HB3 ASP 45 HB3 ASP 45 35.287 6.226 0.753
333 H THR 46 H THR 46 39.043 4.949 0.941
334 HA THR 46 HA THR 46 40.537 6.724 2.681
335 HB THR 46 HB THR 46 41.522 3.974 2.314
336 HG1 THR 46 HG1 THR 46 39.134 4.236 3.753
337 HG21 THR 46 HG21 THR 46 40.566 5.149 4.880
338 HG22 THR 46 HG22 THR 46 42.095 5.675 4.175
339 HG23 THR 46 HG23 THR 46 41.852 3.978 4.590
340 H ILE 47 H ILE 47 41.163 4.756 -0.193
341 HA ILE 47 HA ILE 47 43.892 5.615 -0.405
342 HB ILE 47 HB ILE 47 42.481 4.720 -2.844
343 HG12 ILE 47 HG12 ILE 47 42.365 3.252 -0.293
344 HG13 ILE 47 HG13 ILE 47 41.355 3.100 -1.725
345 HG21 ILE 47 HG21 ILE 47 44.897 5.060 -2.787
346 HG22 ILE 47 HG22 ILE 47 44.491 3.376 -3.117
347 HG23 ILE 47 HG23 ILE 47 45.036 3.852 -1.510
348 HD11 ILE 47 HD11 ILE 47 42.967 1.675 -2.774
349 HD12 ILE 47 HD12 ILE 47 42.628 1.059 -1.160
350 HD13 ILE 47 HD13 ILE 47 44.120 1.947 -1.468
351 H GLN 48 H GLN 48 40.976 7.153 -0.816
352 HA GLN 48 HA GLN 48 42.155 9.079 -2.724
353 HB2 GLN 48 HB2 GLN 48 40.194 7.755 -3.580
354 HB3 GLN 48 HB3 GLN 48 39.208 8.549 -2.359
355 HG2 GLN 48 HG2 GLN 48 38.830 9.782 -4.290
356 HG3 GLN 48 HG3 GLN 48 40.008 10.741 -3.393
357 HE21 GLN 48 HE21 GLN 48 40.008 8.056 -5.726
358 HE22 GLN 48 HE22 GLN 48 41.266 8.707 -6.728
359 H TYR 49 H TYR 49 43.052 10.142 -0.844
360 HA TYR 49 HA TYR 49 41.063 11.717 0.654
361 HD1 TYR 49 HD1 TYR 49 43.605 8.807 0.663
362 HD2 TYR 49 HD2 TYR 49 45.268 12.470 2.045
363 HE1 TYR 49 HE1 TYR 49 45.862 7.943 0.213
364 HE2 TYR 49 HE2 TYR 49 47.531 11.618 1.599
365 HH TYR 49 HH TYR 49 48.290 9.326 -0.311
366 HB2 TYR 49 HB2 TYR 49 42.983 12.112 2.273
367 HB3 TYR 49 HB3 TYR 49 42.346 10.466 2.210
368 H SER 50 H SER 50 41.822 12.412 -1.981
369 HA SER 50 HA SER 50 42.794 15.097 -1.489
370 HG SER 50 HG SER 50 44.134 12.135 -2.528
371 HB2 SER 50 HB2 SER 50 44.226 14.115 -3.787
372 HB3 SER 50 HB3 SER 50 44.860 14.870 -2.326
373 H LYS 51 H LYS 51 42.508 16.523 -3.321
374 HA LYS 51 HA LYS 51 40.916 15.521 -5.540
375 HB2 LYS 51 HB2 LYS 51 39.466 16.280 -3.476
376 HB3 LYS 51 HB3 LYS 51 39.819 17.891 -4.087
377 HG2 LYS 51 HG2 LYS 51 38.598 17.583 -6.005
378 HG3 LYS 51 HG3 LYS 51 38.772 15.827 -5.963
379 HD2 LYS 51 HD2 LYS 51 37.250 15.714 -4.058
380 HD3 LYS 51 HD3 LYS 51 37.097 17.472 -4.065
381 HE2 LYS 51 HE2 LYS 51 35.381 17.245 -5.458
382 HE3 LYS 51 HE3 LYS 51 36.518 16.670 -6.676
383 HZ1 LYS 51 HZ1 LYS 51 34.776 15.107 -4.888
384 HZ2 LYS 51 HZ2 LYS 51 36.186 14.411 -5.510
385 HZ3 LYS 51 HZ3 LYS 51 34.985 14.972 -6.561
386 H HIS 52 H HIS 52 40.630 17.110 -7.242
387 HA HIS 52 HA HIS 52 42.669 19.237 -7.162
388 HD1 HIS 52 HD1 HIS 52 44.401 17.692 -11.107
389 HD2 HIS 52 HD2 HIS 52 43.693 20.782 -8.421
390 HE1 HIS 52 HE1 HIS 52 46.019 19.540 -11.708
391 HB2 HIS 52 HB2 HIS 52 43.073 17.136 -8.651
392 HB3 HIS 52 HB3 HIS 52 41.871 17.871 -9.713
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 31.312 6.830 8.503
2 H2 GLY 1 2H GLY 1 29.794 7.516 8.789
3 H3 GLY 1 3H GLY 1 30.065 5.884 9.144
4 HA2 GLY 1 HA2 GLY 1 31.552 8.078 10.466
5 HA3 GLY 1 HA3 GLY 1 30.042 7.445 11.103
6 H SER 2 H SER 2 29.987 5.390 12.021
7 HA SER 2 HA SER 2 32.638 4.306 12.680
8 HG SER 2 HG SER 2 29.344 4.271 15.037
9 HB2 SER 2 HB2 SER 2 31.484 3.244 14.618
10 HB3 SER 2 HB3 SER 2 31.375 5.004 14.631
11 HA PRO 3 HA PRO 3 31.098 1.032 9.928
12 HB2 PRO 3 HB2 PRO 3 33.526 0.193 9.122
13 HB3 PRO 3 HB3 PRO 3 32.767 1.645 8.456
14 HG2 PRO 3 HG2 PRO 3 34.872 1.408 10.575
15 HG3 PRO 3 HG3 PRO 3 34.780 2.540 9.212
16 HD2 PRO 3 HD2 PRO 3 34.053 3.202 11.756
17 HD3 PRO 3 HD3 PRO 3 33.331 3.942 10.313
18 HA PRO 4 HA PRO 4 31.581 -2.625 12.351
19 HB2 PRO 4 HB2 PRO 4 32.609 -4.178 10.073
20 HB3 PRO 4 HB3 PRO 4 31.103 -4.373 10.972
21 HG2 PRO 4 HG2 PRO 4 31.141 -3.426 8.455
22 HG3 PRO 4 HG3 PRO 4 29.965 -2.859 9.655
23 HD2 PRO 4 HD2 PRO 4 32.468 -1.540 8.679
24 HD3 PRO 4 HD3 PRO 4 30.887 -0.822 9.051
25 H GLU 5 H GLU 5 33.494 -1.573 13.412
26 HA GLU 5 HA GLU 5 35.651 -1.552 14.145
27 HB2 GLU 5 HB2 GLU 5 35.998 -4.402 13.356
28 HB3 GLU 5 HB3 GLU 5 36.413 -3.598 14.862
29 HG2 GLU 5 HG2 GLU 5 33.656 -4.406 13.964
30 HG3 GLU 5 HG3 GLU 5 34.629 -5.181 15.214
31 H ALA 6 H ALA 6 35.110 -1.241 11.152
32 HA ALA 6 HA ALA 6 37.319 -2.302 9.759
33 HB1 ALA 6 HB1 ALA 6 36.295 -1.456 7.975
34 HB2 ALA 6 HB2 ALA 6 36.339 0.176 8.642
35 HB3 ALA 6 HB3 ALA 6 35.027 -0.919 9.077
36 H ASP 7 H ASP 7 36.700 1.095 10.317
37 HA ASP 7 HA ASP 7 38.448 2.722 9.985
38 HB2 ASP 7 HB2 ASP 7 37.769 1.854 12.729
39 HB3 ASP 7 HB3 ASP 7 39.145 2.943 12.573
40 HA PRO 8 HA PRO 8 42.572 1.089 11.671
41 HB2 PRO 8 HB2 PRO 8 42.618 -1.105 13.273
42 HB3 PRO 8 HB3 PRO 8 42.408 0.536 13.893
43 HG2 PRO 8 HG2 PRO 8 40.359 -1.581 13.398
44 HG3 PRO 8 HG3 PRO 8 40.485 -0.433 14.743
45 HD2 PRO 8 HD2 PRO 8 38.779 -0.098 12.646
46 HD3 PRO 8 HD3 PRO 8 39.473 1.253 13.563
47 H ARG 9 H ARG 9 40.589 -1.877 11.579
48 HA ARG 9 HA ARG 9 42.371 -3.484 10.198
49 HE ARG 9 HE ARG 9 38.354 -5.402 11.280
50 HB2 ARG 9 HB2 ARG 9 39.684 -3.665 11.052
51 HB3 ARG 9 HB3 ARG 9 39.695 -4.085 9.344
52 HG2 ARG 9 HG2 ARG 9 41.725 -5.591 10.056
53 HG3 ARG 9 HG3 ARG 9 40.970 -5.466 11.648
54 HD2 ARG 9 HD2 ARG 9 39.715 -6.503 9.107
55 HD3 ARG 9 HD3 ARG 9 40.139 -7.436 10.546
56 HH11 ARG 9 HH11 ARG 9 38.415 -8.353 9.431
57 HH12 ARG 9 HH12 ARG 9 36.747 -8.721 9.720
58 HH21 ARG 9 HH21 ARG 9 36.156 -5.880 11.666
59 HH22 ARG 9 HH22 ARG 9 35.463 -7.314 10.989
60 H LEU 10 H LEU 10 39.797 -1.413 8.871
61 HA LEU 10 HA LEU 10 40.366 -2.042 6.158
62 HG LEU 10 HG LEU 10 38.035 -1.978 5.456
63 HB2 LEU 10 HB2 LEU 10 38.391 -0.621 7.523
64 HB3 LEU 10 HB3 LEU 10 39.200 0.594 6.538
65 HD11 LEU 10 HD11 LEU 10 36.148 -0.787 6.090
66 HD12 LEU 10 HD12 LEU 10 36.389 -0.278 4.418
67 HD13 LEU 10 HD13 LEU 10 36.893 0.773 5.743
68 HD21 LEU 10 HD21 LEU 10 39.984 -0.631 4.305
69 HD22 LEU 10 HD22 LEU 10 38.654 0.413 3.803
70 HD23 LEU 10 HD23 LEU 10 38.647 -1.295 3.366
71 H ILE 11 H ILE 11 40.978 0.957 8.005
72 HA ILE 11 HA ILE 11 42.415 2.415 6.251
73 HB ILE 11 HB ILE 11 42.894 2.036 9.195
74 HG12 ILE 11 HG12 ILE 11 41.980 4.513 7.745
75 HG13 ILE 11 HG13 ILE 11 40.846 3.233 8.188
76 HG21 ILE 11 HG21 ILE 11 44.961 2.848 8.913
77 HG22 ILE 11 HG22 ILE 11 44.160 4.388 8.601
78 HG23 ILE 11 HG23 ILE 11 44.640 3.352 7.253
79 HD11 ILE 11 HD11 ILE 11 41.701 3.504 10.557
80 HD12 ILE 11 HD12 ILE 11 40.726 4.822 9.907
81 HD13 ILE 11 HD13 ILE 11 42.479 4.984 9.995
82 H GLU 12 H GLU 12 43.753 -0.294 8.154
83 HA GLU 12 HA GLU 12 46.365 0.048 7.005
84 HB2 GLU 12 HB2 GLU 12 45.176 -2.099 8.756
85 HB3 GLU 12 HB3 GLU 12 46.826 -2.173 8.153
86 HG2 GLU 12 HG2 GLU 12 45.717 0.062 9.832
87 HG3 GLU 12 HG3 GLU 12 46.649 -1.301 10.453
88 H SER 13 H SER 13 43.948 -2.536 6.803
89 HA SER 13 HA SER 13 45.197 -3.913 4.693
90 HG SER 13 HG SER 13 44.188 -5.993 5.057
91 HB2 SER 13 HB2 SER 13 42.478 -3.892 5.900
92 HB3 SER 13 HB3 SER 13 42.612 -4.550 4.271
93 H LEU 14 H LEU 14 43.775 -0.862 4.781
94 HA LEU 14 HA LEU 14 42.898 -0.869 2.011
95 HG LEU 14 HG LEU 14 42.809 2.302 1.878
96 HB2 LEU 14 HB2 LEU 14 41.530 0.255 3.695
97 HB3 LEU 14 HB3 LEU 14 42.884 1.305 4.105
98 HD11 LEU 14 HD11 LEU 14 41.155 1.723 0.262
99 HD12 LEU 14 HD12 LEU 14 40.373 0.607 1.384
100 HD13 LEU 14 HD13 LEU 14 41.976 0.240 0.748
101 HD21 LEU 14 HD21 LEU 14 40.331 2.268 3.552
102 HD22 LEU 14 HD22 LEU 14 40.376 3.200 2.057
103 HD23 LEU 14 HD23 LEU 14 41.527 3.546 3.347
104 H SER 15 H SER 15 45.755 -0.342 3.693
105 HA SER 15 HA SER 15 46.784 1.823 2.132
106 HG SER 15 HG SER 15 49.406 1.147 2.160
107 HB2 SER 15 HB2 SER 15 47.687 1.390 4.368
108 HB3 SER 15 HB3 SER 15 48.228 -0.207 3.855
109 H GLN 16 H GLN 16 46.909 -1.616 2.103
110 HA GLN 16 HA GLN 16 48.767 -2.428 0.379
111 HB2 GLN 16 HB2 GLN 16 46.487 -3.567 1.275
112 HB3 GLN 16 HB3 GLN 16 46.083 -3.377 -0.425
113 HG2 GLN 16 HG2 GLN 16 48.542 -4.436 -0.647
114 HG3 GLN 16 HG3 GLN 16 48.024 -5.164 0.874
115 HE21 GLN 16 HE21 GLN 16 45.281 -5.339 0.321
116 HE22 GLN 16 HE22 GLN 16 45.052 -6.540 -0.908
117 H MET 17 H MET 17 46.035 -0.432 -0.510
118 HA MET 17 HA MET 17 46.687 -0.601 -3.344
119 HB2 MET 17 HB2 MET 17 44.785 1.345 -3.199
120 HB3 MET 17 HB3 MET 17 44.446 -0.365 -3.404
121 HG2 MET 17 HG2 MET 17 44.285 -0.532 -0.906
122 HG3 MET 17 HG3 MET 17 44.365 1.231 -0.866
123 HE1 MET 17 HE1 MET 17 42.388 -0.547 -3.886
124 HE2 MET 17 HE2 MET 17 42.947 1.127 -3.916
125 HE3 MET 17 HE3 MET 17 41.222 0.774 -3.824
126 H LEU 18 H LEU 18 46.485 1.890 -0.837
127 HA LEU 18 HA LEU 18 47.269 4.160 -2.039
128 HG LEU 18 HG LEU 18 47.943 5.598 1.181
129 HB2 LEU 18 HB2 LEU 18 47.533 3.125 0.587
130 HB3 LEU 18 HB3 LEU 18 49.084 3.845 0.163
131 HD11 LEU 18 HD11 LEU 18 46.868 6.638 -1.221
132 HD12 LEU 18 HD12 LEU 18 48.303 5.701 -1.638
133 HD13 LEU 18 HD13 LEU 18 48.414 7.009 -0.460
134 HD21 LEU 18 HD21 LEU 18 45.529 6.128 0.319
135 HD22 LEU 18 HD22 LEU 18 45.789 4.892 1.550
136 HD23 LEU 18 HD23 LEU 18 45.537 4.424 -0.131
137 H SER 19 H SER 19 49.379 1.487 -1.278
138 HA SER 19 HA SER 19 51.862 2.391 -1.964
139 HG SER 19 HG SER 19 52.877 -0.123 -3.454
140 HB2 SER 19 HB2 SER 19 52.226 0.248 -1.394
141 HB3 SER 19 HB3 SER 19 50.580 -0.216 -1.822
142 H MET 20 H MET 20 49.200 1.836 -4.022
143 HA MET 20 HA MET 20 50.823 2.122 -6.453
144 HB2 MET 20 HB2 MET 20 48.643 0.505 -5.909
145 HB3 MET 20 HB3 MET 20 47.928 1.840 -6.801
146 HG2 MET 20 HG2 MET 20 48.558 0.848 -8.670
147 HG3 MET 20 HG3 MET 20 50.237 1.164 -8.214
148 HE1 MET 20 HE1 MET 20 47.782 -1.098 -9.294
149 HE2 MET 20 HE2 MET 20 47.328 -1.768 -7.727
150 HE3 MET 20 HE3 MET 20 48.276 -2.735 -8.857
151 H GLY 21 H GLY 21 48.638 3.704 -4.347
152 HA2 GLY 21 HA2 GLY 21 47.935 5.886 -4.212
153 HA3 GLY 21 HA3 GLY 21 49.093 6.261 -5.485
154 H PHE 22 H PHE 22 46.345 4.035 -5.488
155 HA PHE 22 HA PHE 22 45.126 5.722 -7.590
156 HD1 PHE 22 HD2 PHE 22 43.786 5.377 -9.548
157 HD2 PHE 22 HD1 PHE 22 44.087 1.278 -8.442
158 HE1 PHE 22 HE2 PHE 22 41.766 4.880 -10.861
159 HE2 PHE 22 HE1 PHE 22 42.068 0.772 -9.756
160 HZ PHE 22 HZ PHE 22 40.903 2.575 -10.967
161 HB2 PHE 22 HB2 PHE 22 46.086 3.947 -8.801
162 HB3 PHE 22 HB3 PHE 22 45.603 2.754 -7.601
163 H SER 23 H SER 23 43.781 2.643 -6.692
164 HA SER 23 HA SER 23 42.159 3.225 -4.576
165 HG SER 23 HG SER 23 39.679 5.015 -4.896
166 HB2 SER 23 HB2 SER 23 41.349 4.711 -6.923
167 HB3 SER 23 HB3 SER 23 40.065 3.616 -6.403
168 H ASP 24 H ASP 24 39.700 2.164 -5.291
169 HA ASP 24 HA ASP 24 40.358 -0.411 -6.542
170 HB2 ASP 24 HB2 ASP 24 40.485 -1.006 -4.269
171 HB3 ASP 24 HB3 ASP 24 39.130 0.040 -3.831
172 H GLU 25 H GLU 25 39.105 -0.253 -8.384
173 HA GLU 25 HA GLU 25 36.434 0.844 -8.182
174 HB2 GLU 25 HB2 GLU 25 37.621 1.512 -10.126
175 HB3 GLU 25 HB3 GLU 25 38.158 -0.129 -10.455
176 HG2 GLU 25 HG2 GLU 25 36.328 -0.611 -11.622
177 HG3 GLU 25 HG3 GLU 25 35.261 0.137 -10.435
178 H GLY 26 H GLY 26 37.952 -2.141 -7.844
179 HA2 GLY 26 HA2 GLY 26 36.644 -3.995 -7.028
180 HA3 GLY 26 HA3 GLY 26 35.369 -3.530 -8.154
181 H GLY 27 H GLY 27 38.874 -4.161 -8.450
182 HA2 GLY 27 HA2 GLY 27 38.229 -6.247 -10.424
183 HA3 GLY 27 HA3 GLY 27 39.343 -4.962 -10.844
184 H TRP 28 H TRP 28 40.384 -5.064 -7.966
185 HA TRP 28 HA TRP 28 41.853 -7.596 -8.143
186 HD1 TRP 28 HD1 TRP 28 42.026 -3.404 -9.028
187 HE1 TRP 28 HE1 TRP 28 42.604 -1.351 -7.581
188 HE3 TRP 28 HE3 TRP 28 44.849 -5.712 -5.450
189 HZ2 TRP 28 HZ2 TRP 28 44.070 -0.791 -5.224
190 HZ3 TRP 28 HZ3 TRP 28 45.802 -4.352 -3.637
191 HH2 TRP 28 HH2 TRP 28 45.421 -1.948 -3.528
192 HB2 TRP 28 HB2 TRP 28 43.955 -6.440 -7.609
193 HB3 TRP 28 HB3 TRP 28 43.272 -5.872 -9.136
194 H LEU 29 H LEU 29 40.705 -4.925 -6.193
195 HA LEU 29 HA LEU 29 41.512 -6.213 -3.705
196 HG LEU 29 HG LEU 29 42.682 -3.640 -3.153
197 HB2 LEU 29 HB2 LEU 29 40.800 -3.553 -4.516
198 HB3 LEU 29 HB3 LEU 29 39.718 -4.063 -3.224
199 HD11 LEU 29 HD11 LEU 29 40.831 -2.982 -0.936
200 HD12 LEU 29 HD12 LEU 29 40.679 -2.049 -2.426
201 HD13 LEU 29 HD13 LEU 29 42.218 -2.089 -1.564
202 HD21 LEU 29 HD21 LEU 29 41.096 -5.562 -1.491
203 HD22 LEU 29 HD22 LEU 29 42.490 -4.722 -0.811
204 HD23 LEU 29 HD23 LEU 29 42.689 -5.764 -2.220
205 H THR 30 H THR 30 38.560 -5.145 -5.293
206 HA THR 30 HA THR 30 36.555 -5.920 -3.757
207 HB THR 30 HB THR 30 36.942 -5.866 -6.659
208 HG1 THR 30 HG1 THR 30 35.742 -4.458 -4.912
209 HG21 THR 30 HG21 THR 30 34.850 -6.916 -7.264
210 HG22 THR 30 HG22 THR 30 34.603 -7.435 -5.596
211 HG23 THR 30 HG23 THR 30 35.940 -8.098 -6.537
212 H ARG 31 H ARG 31 38.818 -8.152 -5.150
213 HA ARG 31 HA ARG 31 37.307 -10.514 -4.931
214 HE ARG 31 HE ARG 31 39.664 -14.479 -5.585
215 HB2 ARG 31 HB2 ARG 31 39.854 -9.935 -5.760
216 HB3 ARG 31 HB3 ARG 31 40.158 -10.767 -4.240
217 HG2 ARG 31 HG2 ARG 31 38.674 -12.615 -5.076
218 HG3 ARG 31 HG3 ARG 31 38.687 -11.806 -6.646
219 HD2 ARG 31 HD2 ARG 31 40.860 -12.344 -7.061
220 HD3 ARG 31 HD3 ARG 31 41.307 -12.315 -5.352
221 HH11 ARG 31 HH11 ARG 31 42.586 -13.445 -7.177
222 HH12 ARG 31 HH12 ARG 31 43.141 -15.057 -7.486
223 HH21 ARG 31 HH21 ARG 31 40.388 -16.604 -5.983
224 HH22 ARG 31 HH22 ARG 31 41.892 -16.852 -6.806
225 H LEU 32 H LEU 32 39.312 -8.730 -2.655
226 HA LEU 32 HA LEU 32 38.556 -10.554 -0.510
227 HG LEU 32 HG LEU 32 40.356 -7.507 -1.416
228 HB2 LEU 32 HB2 LEU 32 40.248 -9.348 0.836
229 HB3 LEU 32 HB3 LEU 32 40.871 -10.110 -0.610
230 HD11 LEU 32 HD11 LEU 32 40.948 -7.604 1.448
231 HD12 LEU 32 HD12 LEU 32 40.301 -6.287 0.469
232 HD13 LEU 32 HD13 LEU 32 42.038 -6.580 0.517
233 HD21 LEU 32 HD21 LEU 32 43.054 -7.659 -0.750
234 HD22 LEU 32 HD22 LEU 32 42.313 -8.062 -2.300
235 HD23 LEU 32 HD23 LEU 32 42.564 -9.319 -1.088
236 H LEU 33 H LEU 33 38.917 -6.990 -0.502
237 HA LEU 33 HA LEU 33 37.256 -6.508 1.628
238 HG LEU 33 HG LEU 33 37.959 -4.717 2.507
239 HB2 LEU 33 HB2 LEU 33 38.875 -5.046 -0.049
240 HB3 LEU 33 HB3 LEU 33 37.283 -4.359 -0.329
241 HD11 LEU 33 HD11 LEU 33 39.800 -3.479 2.669
242 HD12 LEU 33 HD12 LEU 33 39.236 -2.328 1.458
243 HD13 LEU 33 HD13 LEU 33 40.029 -3.821 0.955
244 HD21 LEU 33 HD21 LEU 33 36.770 -2.755 2.762
245 HD22 LEU 33 HD22 LEU 33 35.996 -3.473 1.347
246 HD23 LEU 33 HD23 LEU 33 37.179 -2.178 1.148
247 H GLN 34 H GLN 34 36.150 -7.614 -1.339
248 HA GLN 34 HA GLN 34 33.635 -6.114 -1.148
249 HB2 GLN 34 HB2 GLN 34 34.980 -6.723 -3.363
250 HB3 GLN 34 HB3 GLN 34 33.989 -8.170 -3.260
251 HG2 GLN 34 HG2 GLN 34 32.866 -6.605 -4.652
252 HG3 GLN 34 HG3 GLN 34 31.982 -6.702 -3.123
253 HE21 GLN 34 HE21 GLN 34 31.947 -4.946 -1.756
254 HE22 GLN 34 HE22 GLN 34 32.494 -3.367 -2.238
255 H THR 35 H THR 35 34.923 -8.938 0.031
256 HA THR 35 HA THR 35 32.621 -10.621 -0.217
257 HB THR 35 HB THR 35 34.935 -10.893 1.707
258 HG1 THR 35 HG1 THR 35 34.634 -11.935 -0.914
259 HG21 THR 35 HG21 THR 35 34.457 -13.267 1.642
260 HG22 THR 35 HG22 THR 35 33.089 -12.978 0.568
261 HG23 THR 35 HG23 THR 35 33.056 -12.368 2.222
262 H LYS 36 H LYS 36 33.109 -7.887 1.595
263 HA LYS 36 HA LYS 36 31.262 -8.870 3.676
264 HB2 LYS 36 HB2 LYS 36 32.352 -6.644 4.813
265 HB3 LYS 36 HB3 LYS 36 32.892 -8.294 5.104
266 HG2 LYS 36 HG2 LYS 36 34.042 -6.512 2.971
267 HG3 LYS 36 HG3 LYS 36 34.711 -6.674 4.597
268 HD2 LYS 36 HD2 LYS 36 34.390 -9.287 3.751
269 HD3 LYS 36 HD3 LYS 36 34.950 -8.441 2.306
270 HE2 LYS 36 HE2 LYS 36 36.996 -8.052 3.171
271 HE3 LYS 36 HE3 LYS 36 36.367 -7.762 4.792
272 HZ1 LYS 36 HZ1 LYS 36 36.505 -9.954 5.340
273 HZ2 LYS 36 HZ2 LYS 36 37.790 -9.875 4.245
274 HZ3 LYS 36 HZ3 LYS 36 36.299 -10.498 3.750
275 H ASN 37 H ASN 37 31.831 -6.431 1.273
276 HA ASN 37 HA ASN 37 30.231 -5.070 0.315
277 HB2 ASN 37 HB2 ASN 37 28.591 -5.239 2.844
278 HB3 ASN 37 HB3 ASN 37 28.060 -4.785 1.221
279 HD21 ASN 37 HD21 ASN 37 29.438 -6.901 -0.123
280 HD22 ASN 37 HD22 ASN 37 28.584 -8.372 0.235
281 H TYR 38 H TYR 38 32.534 -4.402 1.656
282 HA TYR 38 HA TYR 38 31.847 -1.748 2.515
283 HD1 TYR 38 HD1 TYR 38 34.134 -4.665 2.638
284 HD2 TYR 38 HD2 TYR 38 34.698 -2.190 6.049
285 HE1 TYR 38 HE1 TYR 38 36.332 -5.696 3.015
286 HE2 TYR 38 HE2 TYR 38 36.900 -3.214 6.435
287 HH TYR 38 HH TYR 38 38.044 -5.905 4.456
288 HB2 TYR 38 HB2 TYR 38 32.893 -1.776 4.580
289 HB3 TYR 38 HB3 TYR 38 32.164 -3.376 4.524
290 H ASP 39 H ASP 39 32.852 -2.610 0.113
291 HA ASP 39 HA ASP 39 35.642 -1.695 0.174
292 HB2 ASP 39 HB2 ASP 39 35.034 -4.008 -0.816
293 HB3 ASP 39 HB3 ASP 39 34.340 -3.095 -2.156
294 H ILE 40 H ILE 40 36.289 -0.338 -1.684
295 HA ILE 40 HA ILE 40 36.026 1.489 -3.034
296 HB ILE 40 HB ILE 40 33.235 0.372 -3.201
297 HG12 ILE 40 HG12 ILE 40 34.336 0.550 -5.732
298 HG13 ILE 40 HG13 ILE 40 35.719 0.139 -4.713
299 HG21 ILE 40 HG21 ILE 40 33.152 2.117 -5.183
300 HG22 ILE 40 HG22 ILE 40 34.223 3.012 -4.105
301 HG23 ILE 40 HG23 ILE 40 32.620 2.522 -3.551
302 HD11 ILE 40 HD11 ILE 40 33.763 -1.574 -3.828
303 HD12 ILE 40 HD12 ILE 40 35.061 -1.969 -4.955
304 HD13 ILE 40 HD13 ILE 40 33.476 -1.494 -5.566
305 H GLY 41 H GLY 41 32.813 1.497 -1.512
306 HA2 GLY 41 HA2 GLY 41 32.662 4.162 -0.920
307 HA3 GLY 41 HA3 GLY 41 31.906 2.921 0.078
308 H ALA 42 H ALA 42 34.528 1.757 0.653
309 HA ALA 42 HA ALA 42 35.340 3.630 2.764
310 HB1 ALA 42 HB1 ALA 42 34.821 0.832 2.748
311 HB2 ALA 42 HB2 ALA 42 35.265 1.861 4.109
312 HB3 ALA 42 HB3 ALA 42 36.520 1.077 3.149
313 H ALA 43 H ALA 43 36.688 1.341 0.423
314 HA ALA 43 HA ALA 43 39.374 2.282 0.801
315 HB1 ALA 43 HB1 ALA 43 39.954 0.633 -0.901
316 HB2 ALA 43 HB2 ALA 43 38.244 0.357 -1.215
317 HB3 ALA 43 HB3 ALA 43 38.930 -0.059 0.355
318 H LEU 44 H LEU 44 36.921 2.671 -1.723
319 HA LEU 44 HA LEU 44 38.650 3.894 -3.604
320 HG LEU 44 HG LEU 44 37.397 5.307 -5.272
321 HB2 LEU 44 HB2 LEU 44 36.549 2.835 -4.248
322 HB3 LEU 44 HB3 LEU 44 35.648 4.050 -3.346
323 HD11 LEU 44 HD11 LEU 44 35.644 4.383 -7.117
324 HD12 LEU 44 HD12 LEU 44 35.919 2.930 -6.156
325 HD13 LEU 44 HD13 LEU 44 37.282 3.766 -6.900
326 HD21 LEU 44 HD21 LEU 44 35.574 6.496 -4.331
327 HD22 LEU 44 HD22 LEU 44 34.429 5.232 -4.779
328 HD23 LEU 44 HD23 LEU 44 35.176 6.227 -6.029
329 H ASP 45 H ASP 45 37.079 5.124 -0.789
330 HA ASP 45 HA ASP 45 37.342 7.878 -1.728
331 HB2 ASP 45 HB2 ASP 45 35.470 6.586 -0.098
332 HB3 ASP 45 HB3 ASP 45 36.391 7.618 0.992
333 H THR 46 H THR 46 39.178 5.627 -0.013
334 HA THR 46 HA THR 46 40.426 7.640 1.671
335 HB THR 46 HB THR 46 41.251 4.755 1.492
336 HG1 THR 46 HG1 THR 46 39.121 5.901 2.961
337 HG21 THR 46 HG21 THR 46 41.533 5.277 4.034
338 HG22 THR 46 HG22 THR 46 41.643 6.942 3.465
339 HG23 THR 46 HG23 THR 46 42.781 5.731 2.875
340 H ILE 47 H ILE 47 41.402 5.439 -0.929
341 HA ILE 47 HA ILE 47 44.077 6.394 -0.977
342 HB ILE 47 HB ILE 47 43.102 5.439 -3.568
343 HG12 ILE 47 HG12 ILE 47 41.557 4.112 -2.326
344 HG13 ILE 47 HG13 ILE 47 42.915 3.060 -2.711
345 HG21 ILE 47 HG21 ILE 47 45.149 4.466 -3.645
346 HG22 ILE 47 HG22 ILE 47 45.091 3.959 -1.955
347 HG23 ILE 47 HG23 ILE 47 45.487 5.630 -2.363
348 HD11 ILE 47 HD11 ILE 47 43.026 2.548 -0.562
349 HD12 ILE 47 HD12 ILE 47 41.834 3.781 -0.154
350 HD13 ILE 47 HD13 ILE 47 43.545 4.203 -0.247
351 H GLN 48 H GLN 48 41.186 7.852 -1.788
352 HA GLN 48 HA GLN 48 42.604 9.856 -3.430
353 HB2 GLN 48 HB2 GLN 48 41.025 8.381 -4.748
354 HB3 GLN 48 HB3 GLN 48 39.712 9.081 -3.812
355 HG2 GLN 48 HG2 GLN 48 39.594 10.737 -5.264
356 HG3 GLN 48 HG3 GLN 48 41.223 11.233 -4.804
357 HE21 GLN 48 HE21 GLN 48 40.152 8.313 -6.479
358 HE22 GLN 48 HE22 GLN 48 41.048 8.607 -7.935
359 H TYR 49 H TYR 49 42.651 11.766 -2.428
360 HA TYR 49 HA TYR 49 40.273 12.744 -1.070
361 HD1 TYR 49 HD1 TYR 49 42.388 9.892 -0.142
362 HD2 TYR 49 HD2 TYR 49 44.284 13.531 0.979
363 HE1 TYR 49 HE1 TYR 49 44.552 8.728 -0.046
364 HE2 TYR 49 HE2 TYR 49 46.454 12.378 1.077
365 HH TYR 49 HH TYR 49 47.075 9.652 1.488
366 HB2 TYR 49 HB2 TYR 49 41.959 13.455 0.857
367 HB3 TYR 49 HB3 TYR 49 41.125 11.896 0.880
368 H SER 50 H SER 50 40.249 14.287 -2.764
369 HA SER 50 HA SER 50 40.638 16.328 -3.680
370 HG SER 50 HG SER 50 41.599 18.697 -2.952
371 HB2 SER 50 HB2 SER 50 40.938 16.721 -1.028
372 HB3 SER 50 HB3 SER 50 42.549 17.179 -1.580
373 H LYS 51 H LYS 51 41.740 15.838 -5.492
374 HA LYS 51 HA LYS 51 44.492 15.089 -5.528
375 HB2 LYS 51 HB2 LYS 51 42.357 15.490 -7.483
376 HB3 LYS 51 HB3 LYS 51 43.933 15.994 -8.076
377 HG2 LYS 51 HG2 LYS 51 44.207 13.472 -6.780
378 HG3 LYS 51 HG3 LYS 51 42.872 13.389 -7.931
379 HD2 LYS 51 HD2 LYS 51 45.346 14.725 -8.856
380 HD3 LYS 51 HD3 LYS 51 45.429 12.978 -8.623
381 HE2 LYS 51 HE2 LYS 51 43.078 14.029 -10.083
382 HE3 LYS 51 HE3 LYS 51 44.632 14.112 -10.912
383 HZ1 LYS 51 HZ1 LYS 51 43.381 12.048 -11.351
384 HZ2 LYS 51 HZ2 LYS 51 43.509 11.640 -9.714
385 HZ3 LYS 51 HZ3 LYS 51 44.902 11.763 -10.666
386 H HIS 52 H HIS 52 45.707 16.507 -7.468
387 HA HIS 52 HA HIS 52 47.112 18.296 -7.666
388 HD1 HIS 52 HD1 HIS 52 47.763 20.012 -9.271
389 HD2 HIS 52 HD2 HIS 52 45.072 22.472 -7.280
390 HE1 HIS 52 HE1 HIS 52 48.608 22.376 -9.570
391 HB2 HIS 52 HB2 HIS 52 45.010 19.136 -8.711
392 HB3 HIS 52 HB3 HIS 52 44.568 19.856 -7.162
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 36.403 9.930 7.316
2 H2 GLY 1 2H GLY 1 36.933 10.739 8.703
3 H3 GLY 1 3H GLY 1 35.828 11.485 7.661
4 HA2 GLY 1 HA2 GLY 1 34.911 10.505 9.800
5 HA3 GLY 1 HA3 GLY 1 34.074 10.132 8.301
6 H SER 2 H SER 2 34.419 8.707 10.960
7 HA SER 2 HA SER 2 35.745 6.248 10.139
8 HG SER 2 HG SER 2 37.157 6.596 12.315
9 HB2 SER 2 HB2 SER 2 35.200 7.523 12.638
10 HB3 SER 2 HB3 SER 2 34.438 5.931 12.648
11 HA PRO 3 HA PRO 3 31.801 4.774 8.571
12 HB2 PRO 3 HB2 PRO 3 32.760 2.311 7.850
13 HB3 PRO 3 HB3 PRO 3 32.927 3.762 6.856
14 HG2 PRO 3 HG2 PRO 3 34.908 2.496 8.706
15 HG3 PRO 3 HG3 PRO 3 35.165 3.183 7.091
16 HD2 PRO 3 HD2 PRO 3 35.814 4.533 9.324
17 HD3 PRO 3 HD3 PRO 3 35.184 5.358 7.883
18 HA PRO 4 HA PRO 4 29.773 2.223 11.528
19 HB2 PRO 4 HB2 PRO 4 29.883 -0.047 9.581
20 HB3 PRO 4 HB3 PRO 4 28.515 0.559 10.524
21 HG2 PRO 4 HG2 PRO 4 28.757 1.148 7.935
22 HG3 PRO 4 HG3 PRO 4 28.150 2.346 9.094
23 HD2 PRO 4 HD2 PRO 4 30.784 2.196 7.729
24 HD3 PRO 4 HD3 PRO 4 29.888 3.615 8.305
25 H GLU 5 H GLU 5 31.793 2.206 12.799
26 HA GLU 5 HA GLU 5 33.598 1.208 13.806
27 HB2 GLU 5 HB2 GLU 5 31.434 -0.877 13.747
28 HB3 GLU 5 HB3 GLU 5 32.985 -1.220 14.499
29 HG2 GLU 5 HG2 GLU 5 32.529 1.009 15.777
30 HG3 GLU 5 HG3 GLU 5 30.854 0.685 15.332
31 H ALA 6 H ALA 6 33.574 1.128 10.878
32 HA ALA 6 HA ALA 6 35.183 -1.294 10.450
33 HB1 ALA 6 HB1 ALA 6 34.248 -1.616 8.421
34 HB2 ALA 6 HB2 ALA 6 34.119 0.111 8.089
35 HB3 ALA 6 HB3 ALA 6 32.922 -0.681 9.112
36 H ASP 7 H ASP 7 36.598 0.579 11.590
37 HA ASP 7 HA ASP 7 37.808 2.281 9.547
38 HB2 ASP 7 HB2 ASP 7 37.601 3.589 11.433
39 HB3 ASP 7 HB3 ASP 7 37.823 2.238 12.533
40 HA PRO 8 HA PRO 8 41.546 -0.407 10.746
41 HB2 PRO 8 HB2 PRO 8 41.437 -2.107 12.814
42 HB3 PRO 8 HB3 PRO 8 41.721 -0.379 13.067
43 HG2 PRO 8 HG2 PRO 8 39.194 -1.950 13.383
44 HG3 PRO 8 HG3 PRO 8 39.858 -0.678 14.423
45 HD2 PRO 8 HD2 PRO 8 37.879 -0.267 12.560
46 HD3 PRO 8 HD3 PRO 8 38.987 0.991 13.135
47 H ARG 9 H ARG 9 38.385 -1.551 10.520
48 HA ARG 9 HA ARG 9 39.114 -4.281 9.806
49 HE ARG 9 HE ARG 9 34.422 -4.067 10.895
50 HB2 ARG 9 HB2 ARG 9 37.161 -4.181 11.141
51 HB3 ARG 9 HB3 ARG 9 36.487 -2.859 10.197
52 HG2 ARG 9 HG2 ARG 9 36.866 -5.009 8.423
53 HG3 ARG 9 HG3 ARG 9 36.108 -5.660 9.879
54 HD2 ARG 9 HD2 ARG 9 35.128 -3.261 8.331
55 HD3 ARG 9 HD3 ARG 9 34.462 -4.891 8.202
56 HH11 ARG 9 HH11 ARG 9 32.867 -3.413 7.847
57 HH12 ARG 9 HH12 ARG 9 31.364 -2.942 8.567
58 HH21 ARG 9 HH21 ARG 9 32.445 -3.449 11.852
59 HH22 ARG 9 HH22 ARG 9 31.125 -2.958 10.844
60 H LEU 10 H LEU 10 37.336 -1.560 8.354
61 HA LEU 10 HA LEU 10 37.529 -2.794 5.736
62 HG LEU 10 HG LEU 10 34.500 -2.251 5.346
63 HB2 LEU 10 HB2 LEU 10 35.627 -1.245 6.990
64 HB3 LEU 10 HB3 LEU 10 36.387 -0.103 5.891
65 HD11 LEU 10 HD11 LEU 10 35.124 0.419 4.519
66 HD12 LEU 10 HD12 LEU 10 33.632 -0.500 4.305
67 HD13 LEU 10 HD13 LEU 10 34.922 -0.619 3.105
68 HD21 LEU 10 HD21 LEU 10 36.047 -3.593 4.328
69 HD22 LEU 10 HD22 LEU 10 37.125 -2.251 3.944
70 HD23 LEU 10 HD23 LEU 10 35.667 -2.512 2.988
71 H ILE 11 H ILE 11 38.474 0.308 7.223
72 HA ILE 11 HA ILE 11 39.863 1.142 4.857
73 HB ILE 11 HB ILE 11 39.774 2.371 7.606
74 HG12 ILE 11 HG12 ILE 11 38.616 3.796 5.318
75 HG13 ILE 11 HG13 ILE 11 37.824 2.254 5.658
76 HG21 ILE 11 HG21 ILE 11 41.786 3.149 6.734
77 HG22 ILE 11 HG22 ILE 11 40.634 4.398 6.262
78 HG23 ILE 11 HG23 ILE 11 41.165 3.197 5.084
79 HD11 ILE 11 HD11 ILE 11 37.111 2.938 7.745
80 HD12 ILE 11 HD12 ILE 11 36.948 4.404 6.777
81 HD13 ILE 11 HD13 ILE 11 38.328 4.211 7.858
82 H GLU 12 H GLU 12 40.791 -0.981 7.308
83 HA GLU 12 HA GLU 12 43.543 -0.086 7.297
84 HB2 GLU 12 HB2 GLU 12 42.050 -1.329 9.216
85 HB3 GLU 12 HB3 GLU 12 42.967 -2.674 8.552
86 HG2 GLU 12 HG2 GLU 12 45.022 -1.180 8.877
87 HG3 GLU 12 HG3 GLU 12 43.977 -0.204 9.908
88 H SER 13 H SER 13 42.060 -3.265 6.715
89 HA SER 13 HA SER 13 44.171 -4.474 5.499
90 HG SER 13 HG SER 13 40.996 -6.172 6.071
91 HB2 SER 13 HB2 SER 13 41.335 -4.685 4.458
92 HB3 SER 13 HB3 SER 13 42.609 -5.899 4.337
93 H LEU 14 H LEU 14 42.277 -1.814 4.321
94 HA LEU 14 HA LEU 14 42.875 -2.043 1.573
95 HG LEU 14 HG LEU 14 40.110 0.305 1.610
96 HB2 LEU 14 HB2 LEU 14 41.769 0.014 3.372
97 HB3 LEU 14 HB3 LEU 14 42.516 0.621 1.898
98 HD11 LEU 14 HD11 LEU 14 40.260 -0.529 -0.501
99 HD12 LEU 14 HD12 LEU 14 41.245 -1.906 -0.009
100 HD13 LEU 14 HD13 LEU 14 41.978 -0.310 -0.169
101 HD21 LEU 14 HD21 LEU 14 40.102 -2.585 1.551
102 HD22 LEU 14 HD22 LEU 14 39.003 -1.471 2.367
103 HD23 LEU 14 HD23 LEU 14 40.500 -1.969 3.155
104 H SER 15 H SER 15 44.727 -0.856 4.245
105 HA SER 15 HA SER 15 46.458 0.942 3.165
106 HG SER 15 HG SER 15 46.567 0.044 6.587
107 HB2 SER 15 HB2 SER 15 47.097 -1.337 5.045
108 HB3 SER 15 HB3 SER 15 48.209 -0.013 4.698
109 H GLN 16 H GLN 16 46.129 -2.342 2.324
110 HA GLN 16 HA GLN 16 48.649 -2.909 1.229
111 HB2 GLN 16 HB2 GLN 16 47.437 -4.656 -0.068
112 HB3 GLN 16 HB3 GLN 16 47.072 -4.678 1.653
113 HG2 GLN 16 HG2 GLN 16 45.037 -3.249 1.043
114 HG3 GLN 16 HG3 GLN 16 45.352 -3.754 -0.617
115 HE21 GLN 16 HE21 GLN 16 42.983 -4.375 0.532
116 HE22 GLN 16 HE22 GLN 16 42.898 -6.077 0.855
117 H MET 17 H MET 17 45.662 -1.832 -0.401
118 HA MET 17 HA MET 17 46.997 -1.472 -2.903
119 HB2 MET 17 HB2 MET 17 44.912 -1.597 -3.665
120 HB3 MET 17 HB3 MET 17 44.328 -1.645 -2.009
121 HG2 MET 17 HG2 MET 17 43.931 0.672 -1.971
122 HG3 MET 17 HG3 MET 17 44.877 0.939 -3.438
123 HE1 MET 17 HE1 MET 17 41.176 -0.281 -2.142
124 HE2 MET 17 HE2 MET 17 40.593 0.968 -3.239
125 HE3 MET 17 HE3 MET 17 41.864 1.338 -2.074
126 H LEU 18 H LEU 18 45.854 0.767 -0.380
127 HA LEU 18 HA LEU 18 46.232 3.182 -1.638
128 HG LEU 18 HG LEU 18 47.824 4.669 1.042
129 HB2 LEU 18 HB2 LEU 18 45.408 2.959 0.674
130 HB3 LEU 18 HB3 LEU 18 47.026 2.513 1.202
131 HD11 LEU 18 HD11 LEU 18 47.120 6.346 -0.422
132 HD12 LEU 18 HD12 LEU 18 45.544 5.596 -0.672
133 HD13 LEU 18 HD13 LEU 18 46.988 4.868 -1.372
134 HD21 LEU 18 HD21 LEU 18 46.427 5.969 2.330
135 HD22 LEU 18 HD22 LEU 18 45.759 4.360 2.604
136 HD23 LEU 18 HD23 LEU 18 44.978 5.457 1.466
137 H SER 19 H SER 19 48.562 0.944 -0.421
138 HA SER 19 HA SER 19 50.900 2.368 -0.336
139 HG SER 19 HG SER 19 51.477 -1.067 -2.164
140 HB2 SER 19 HB2 SER 19 51.666 0.287 0.032
141 HB3 SER 19 HB3 SER 19 50.189 -0.404 -0.640
142 H MET 20 H MET 20 49.081 1.291 -3.120
143 HA MET 20 HA MET 20 51.064 2.106 -5.026
144 HB2 MET 20 HB2 MET 20 48.856 0.449 -5.101
145 HB3 MET 20 HB3 MET 20 48.338 1.845 -6.036
146 HG2 MET 20 HG2 MET 20 49.694 1.365 -7.747
147 HG3 MET 20 HG3 MET 20 51.025 0.886 -6.686
148 HE1 MET 20 HE1 MET 20 48.164 -1.540 -9.020
149 HE2 MET 20 HE2 MET 20 48.082 0.181 -8.645
150 HE3 MET 20 HE3 MET 20 47.268 -0.986 -7.605
151 H GLY 21 H GLY 21 48.065 3.505 -3.691
152 HA2 GLY 21 HA2 GLY 21 47.882 5.880 -3.486
153 HA3 GLY 21 HA3 GLY 21 48.884 6.044 -4.922
154 H PHE 22 H PHE 22 45.948 4.084 -4.276
155 HA PHE 22 HA PHE 22 44.160 5.694 -5.706
156 HD1 PHE 22 HD2 PHE 22 42.890 5.750 -8.517
157 HD2 PHE 22 HD1 PHE 22 44.520 1.877 -7.845
158 HE1 PHE 22 HE2 PHE 22 41.068 4.756 -9.839
159 HE2 PHE 22 HE1 PHE 22 42.702 0.877 -9.166
160 HZ PHE 22 HZ PHE 22 40.970 2.317 -10.163
161 HB2 PHE 22 HB2 PHE 22 45.201 5.433 -7.748
162 HB3 PHE 22 HB3 PHE 22 45.800 3.826 -7.359
163 H SER 23 H SER 23 42.104 4.917 -5.618
164 HA SER 23 HA SER 23 41.730 2.400 -4.174
165 HG SER 23 HG SER 23 39.639 4.247 -2.279
166 HB2 SER 23 HB2 SER 23 40.238 4.926 -4.453
167 HB3 SER 23 HB3 SER 23 39.251 3.473 -4.342
168 H ASP 24 H ASP 24 39.494 1.429 -4.682
169 HA ASP 24 HA ASP 24 39.638 0.254 -7.222
170 HB2 ASP 24 HB2 ASP 24 38.563 -0.756 -5.185
171 HB3 ASP 24 HB3 ASP 24 37.201 0.342 -5.431
172 H GLU 25 H GLU 25 39.057 0.953 -9.071
173 HA GLU 25 HA GLU 25 36.753 2.698 -9.428
174 HB2 GLU 25 HB2 GLU 25 39.553 3.512 -9.826
175 HB3 GLU 25 HB3 GLU 25 38.500 3.851 -11.192
176 HG2 GLU 25 HG2 GLU 25 36.934 4.923 -9.477
177 HG3 GLU 25 HG3 GLU 25 38.317 4.876 -8.385
178 H GLY 26 H GLY 26 37.401 -0.092 -10.005
179 HA2 GLY 26 HA2 GLY 26 36.342 -0.241 -12.634
180 HA3 GLY 26 HA3 GLY 26 38.069 -0.604 -12.655
181 H GLY 27 H GLY 27 35.583 -1.389 -10.236
182 HA2 GLY 27 HA2 GLY 27 35.324 -3.416 -9.110
183 HA3 GLY 27 HA3 GLY 27 34.789 -3.864 -10.721
184 H TRP 28 H TRP 28 37.956 -3.362 -9.123
185 HA TRP 28 HA TRP 28 38.748 -6.005 -10.158
186 HD1 TRP 28 HD1 TRP 28 39.569 -1.648 -10.512
187 HE1 TRP 28 HE1 TRP 28 40.953 -0.150 -8.942
188 HE3 TRP 28 HE3 TRP 28 42.478 -5.238 -8.324
189 HZ2 TRP 28 HZ2 TRP 28 43.009 -0.453 -7.028
190 HZ3 TRP 28 HZ3 TRP 28 44.129 -4.550 -6.633
191 HH2 TRP 28 HH2 TRP 28 44.388 -2.207 -6.000
192 HB2 TRP 28 HB2 TRP 28 41.016 -5.175 -10.449
193 HB3 TRP 28 HB3 TRP 28 39.888 -4.152 -11.347
194 H LEU 29 H LEU 29 39.020 -3.650 -7.564
195 HA LEU 29 HA LEU 29 40.670 -5.285 -5.901
196 HG LEU 29 HG LEU 29 41.971 -2.893 -5.080
197 HB2 LEU 29 HB2 LEU 29 39.843 -2.630 -5.917
198 HB3 LEU 29 HB3 LEU 29 39.082 -3.311 -4.482
199 HD11 LEU 29 HD11 LEU 29 42.012 -2.044 -2.862
200 HD12 LEU 29 HD12 LEU 29 40.424 -2.724 -2.506
201 HD13 LEU 29 HD13 LEU 29 40.575 -1.387 -3.644
202 HD21 LEU 29 HD21 LEU 29 40.831 -5.290 -3.805
203 HD22 LEU 29 HD22 LEU 29 42.130 -4.494 -2.916
204 HD23 LEU 29 HD23 LEU 29 42.402 -5.044 -4.569
205 H THR 30 H THR 30 37.277 -5.045 -6.483
206 HA THR 30 HA THR 30 36.098 -5.875 -4.163
207 HB THR 30 HB THR 30 35.339 -7.063 -6.825
208 HG1 THR 30 HG1 THR 30 34.052 -5.021 -6.920
209 HG21 THR 30 HG21 THR 30 33.947 -6.538 -4.277
210 HG22 THR 30 HG22 THR 30 33.729 -7.839 -5.449
211 HG23 THR 30 HG23 THR 30 33.045 -6.242 -5.764
212 H ARG 31 H ARG 31 36.836 -8.204 -6.745
213 HA ARG 31 HA ARG 31 36.495 -10.555 -5.545
214 HE ARG 31 HE ARG 31 37.477 -14.313 -8.033
215 HB2 ARG 31 HB2 ARG 31 37.790 -9.766 -7.807
216 HB3 ARG 31 HB3 ARG 31 39.116 -10.452 -6.880
217 HG2 ARG 31 HG2 ARG 31 36.659 -12.069 -6.990
218 HG3 ARG 31 HG3 ARG 31 37.533 -11.876 -8.510
219 HD2 ARG 31 HD2 ARG 31 39.591 -12.648 -7.400
220 HD3 ARG 31 HD3 ARG 31 38.677 -12.888 -5.908
221 HH11 ARG 31 HH11 ARG 31 40.249 -14.371 -5.928
222 HH12 ARG 31 HH12 ARG 31 40.429 -16.093 -5.998
223 HH21 ARG 31 HH21 ARG 31 37.701 -16.582 -8.130
224 HH22 ARG 31 HH22 ARG 31 38.978 -17.350 -7.248
225 H LEU 32 H LEU 32 39.117 -8.352 -4.797
226 HA LEU 32 HA LEU 32 40.352 -10.306 -3.020
227 HG LEU 32 HG LEU 32 43.498 -8.509 -3.037
228 HB2 LEU 32 HB2 LEU 32 41.768 -8.927 -4.490
229 HB3 LEU 32 HB3 LEU 32 41.185 -7.483 -3.683
230 HD11 LEU 32 HD11 LEU 32 42.952 -6.662 -1.810
231 HD12 LEU 32 HD12 LEU 32 42.879 -7.892 -0.549
232 HD13 LEU 32 HD13 LEU 32 41.394 -7.318 -1.305
233 HD21 LEU 32 HD21 LEU 32 41.576 -10.222 -1.469
234 HD22 LEU 32 HD22 LEU 32 43.290 -10.044 -1.092
235 HD23 LEU 32 HD23 LEU 32 42.794 -10.763 -2.624
236 H LEU 33 H LEU 33 39.162 -6.959 -2.771
237 HA LEU 33 HA LEU 33 39.438 -6.601 -0.083
238 HG LEU 33 HG LEU 33 39.027 -4.277 -2.629
239 HB2 LEU 33 HB2 LEU 33 37.317 -5.569 -1.934
240 HB3 LEU 33 HB3 LEU 33 37.472 -5.032 -0.266
241 HD11 LEU 33 HD11 LEU 33 38.565 -2.291 -1.771
242 HD12 LEU 33 HD12 LEU 33 39.486 -2.674 -0.317
243 HD13 LEU 33 HD13 LEU 33 37.773 -3.081 -0.410
244 HD21 LEU 33 HD21 LEU 33 41.126 -3.938 -1.291
245 HD22 LEU 33 HD22 LEU 33 40.775 -5.611 -1.721
246 HD23 LEU 33 HD23 LEU 33 40.452 -5.034 -0.086
247 H GLN 34 H GLN 34 36.624 -8.120 -1.678
248 HA GLN 34 HA GLN 34 34.936 -8.433 0.456
249 HB2 GLN 34 HB2 GLN 34 35.562 -10.322 -1.804
250 HB3 GLN 34 HB3 GLN 34 34.302 -10.662 -0.626
251 HG2 GLN 34 HG2 GLN 34 34.425 -8.267 -2.447
252 HG3 GLN 34 HG3 GLN 34 33.381 -9.682 -2.646
253 HE21 GLN 34 HE21 GLN 34 33.437 -6.581 -1.641
254 HE22 GLN 34 HE22 GLN 34 32.110 -6.603 -0.519
255 H THR 35 H THR 35 37.981 -9.847 -0.037
256 HA THR 35 HA THR 35 37.760 -12.016 1.817
257 HB THR 35 HB THR 35 40.053 -12.421 1.402
258 HG1 THR 35 HG1 THR 35 41.428 -10.838 0.564
259 HG21 THR 35 HG21 THR 35 40.382 -11.913 -1.081
260 HG22 THR 35 HG22 THR 35 38.746 -11.261 -1.024
261 HG23 THR 35 HG23 THR 35 39.033 -12.950 -0.616
262 H LYS 36 H LYS 36 39.355 -8.843 1.820
263 HA LYS 36 HA LYS 36 39.911 -8.966 4.626
264 HB2 LYS 36 HB2 LYS 36 40.353 -6.447 4.313
265 HB3 LYS 36 HB3 LYS 36 41.444 -7.586 3.536
266 HG2 LYS 36 HG2 LYS 36 41.027 -5.888 1.972
267 HG3 LYS 36 HG3 LYS 36 40.085 -7.273 1.443
268 HD2 LYS 36 HD2 LYS 36 38.596 -5.498 1.214
269 HD3 LYS 36 HD3 LYS 36 38.157 -6.187 2.772
270 HE2 LYS 36 HE2 LYS 36 40.228 -4.096 2.837
271 HE3 LYS 36 HE3 LYS 36 38.618 -3.567 2.357
272 HZ1 LYS 36 HZ1 LYS 36 39.010 -3.412 4.766
273 HZ2 LYS 36 HZ2 LYS 36 39.216 -5.088 4.836
274 HZ3 LYS 36 HZ3 LYS 36 37.721 -4.440 4.388
275 H ASN 37 H ASN 37 37.276 -8.287 2.680
276 HA ASN 37 HA ASN 37 35.250 -8.376 4.251
277 HB2 ASN 37 HB2 ASN 37 36.701 -5.922 5.056
278 HB3 ASN 37 HB3 ASN 37 34.937 -5.832 4.997
279 HD21 ASN 37 HD21 ASN 37 36.446 -8.877 5.606
280 HD22 ASN 37 HD22 ASN 37 36.065 -8.969 7.293
281 H TYR 38 H TYR 38 35.996 -5.167 2.826
282 HA TYR 38 HA TYR 38 34.348 -5.803 0.518
283 HD1 TYR 38 HD1 TYR 38 31.962 -6.830 2.150
284 HD2 TYR 38 HD2 TYR 38 33.608 -3.564 4.316
285 HE1 TYR 38 HE1 TYR 38 31.377 -7.945 4.244
286 HE2 TYR 38 HE2 TYR 38 33.013 -4.660 6.438
287 HH TYR 38 HH TYR 38 32.524 -7.581 6.919
288 HB2 TYR 38 HB2 TYR 38 33.343 -3.416 1.952
289 HB3 TYR 38 HB3 TYR 38 32.457 -4.653 1.059
290 H ASP 39 H ASP 39 34.024 -3.785 -0.878
291 HA ASP 39 HA ASP 39 36.295 -1.959 -0.590
292 HB2 ASP 39 HB2 ASP 39 36.902 -2.173 -2.914
293 HB3 ASP 39 HB3 ASP 39 36.877 -3.768 -2.179
294 H ILE 40 H ILE 40 35.521 0.033 -0.516
295 HA ILE 40 HA ILE 40 34.548 1.682 -2.235
296 HB ILE 40 HB ILE 40 32.818 0.250 -3.100
297 HG12 ILE 40 HG12 ILE 40 30.830 1.693 -2.770
298 HG13 ILE 40 HG13 ILE 40 31.652 2.481 -1.419
299 HG21 ILE 40 HG21 ILE 40 31.571 -1.106 -1.855
300 HG22 ILE 40 HG22 ILE 40 31.042 0.219 -0.818
301 HG23 ILE 40 HG23 ILE 40 32.561 -0.611 -0.482
302 HD11 ILE 40 HD11 ILE 40 33.339 3.345 -2.901
303 HD12 ILE 40 HD12 ILE 40 31.740 3.777 -3.510
304 HD13 ILE 40 HD13 ILE 40 32.645 2.462 -4.261
305 H GLY 41 H GLY 41 33.554 0.288 0.827
306 HA2 GLY 41 HA2 GLY 41 32.886 2.931 1.872
307 HA3 GLY 41 HA3 GLY 41 32.635 1.391 2.699
308 H ALA 42 H ALA 42 35.536 0.851 1.634
309 HA ALA 42 HA ALA 42 36.827 1.994 4.010
310 HB1 ALA 42 HB1 ALA 42 37.119 -0.305 4.080
311 HB2 ALA 42 HB2 ALA 42 38.624 0.255 3.349
312 HB3 ALA 42 HB3 ALA 42 37.354 -0.431 2.337
313 H ALA 43 H ALA 43 37.672 1.223 0.630
314 HA ALA 43 HA ALA 43 39.925 2.937 0.568
315 HB1 ALA 43 HB1 ALA 43 40.269 2.153 -1.525
316 HB2 ALA 43 HB2 ALA 43 38.570 2.277 -1.976
317 HB3 ALA 43 HB3 ALA 43 39.126 0.923 -0.991
318 H LEU 44 H LEU 44 36.917 3.248 -1.327
319 HA LEU 44 HA LEU 44 37.208 5.779 -2.254
320 HG LEU 44 HG LEU 44 35.547 6.214 -3.755
321 HB2 LEU 44 HB2 LEU 44 35.006 3.991 -1.810
322 HB3 LEU 44 HB3 LEU 44 34.508 5.640 -1.444
323 HD11 LEU 44 HD11 LEU 44 36.119 3.479 -3.670
324 HD12 LEU 44 HD12 LEU 44 36.291 4.570 -5.046
325 HD13 LEU 44 HD13 LEU 44 34.798 3.655 -4.827
326 HD21 LEU 44 HD21 LEU 44 33.244 4.800 -4.560
327 HD22 LEU 44 HD22 LEU 44 33.388 6.512 -4.162
328 HD23 LEU 44 HD23 LEU 44 32.965 5.348 -2.907
329 H ASP 45 H ASP 45 36.646 4.833 1.025
330 HA ASP 45 HA ASP 45 35.814 7.431 1.929
331 HB2 ASP 45 HB2 ASP 45 36.552 4.860 3.306
332 HB3 ASP 45 HB3 ASP 45 36.311 6.344 4.224
333 H THR 46 H THR 46 38.730 5.459 2.608
334 HA THR 46 HA THR 46 40.144 7.916 3.294
335 HB THR 46 HB THR 46 40.146 5.436 4.473
336 HG1 THR 46 HG1 THR 46 41.986 7.570 4.590
337 HG21 THR 46 HG21 THR 46 42.627 5.650 2.804
338 HG22 THR 46 HG22 THR 46 41.541 4.276 2.996
339 HG23 THR 46 HG23 THR 46 42.583 4.766 4.328
340 H ILE 47 H ILE 47 40.995 5.009 1.377
341 HA ILE 47 HA ILE 47 43.050 6.369 -0.037
342 HB ILE 47 HB ILE 47 41.661 3.966 -1.146
343 HG12 ILE 47 HG12 ILE 47 43.463 4.012 1.272
344 HG13 ILE 47 HG13 ILE 47 41.819 3.389 1.176
345 HG21 ILE 47 HG21 ILE 47 43.881 5.356 -1.899
346 HG22 ILE 47 HG22 ILE 47 43.524 3.687 -2.341
347 HG23 ILE 47 HG23 ILE 47 44.567 4.029 -0.962
348 HD11 ILE 47 HD11 ILE 47 42.460 1.462 0.148
349 HD12 ILE 47 HD12 ILE 47 43.891 1.787 1.124
350 HD13 ILE 47 HD13 ILE 47 43.882 2.196 -0.592
351 H GLN 48 H GLN 48 40.775 8.008 -0.197
352 HA GLN 48 HA GLN 48 40.328 7.999 -3.094
353 HB2 GLN 48 HB2 GLN 48 38.390 7.012 -1.576
354 HB3 GLN 48 HB3 GLN 48 38.027 8.713 -1.335
355 HG2 GLN 48 HG2 GLN 48 36.813 7.468 -3.204
356 HG3 GLN 48 HG3 GLN 48 37.493 9.051 -3.563
357 HE21 GLN 48 HE21 GLN 48 37.808 5.606 -4.042
358 HE22 GLN 48 HE22 GLN 48 38.883 5.703 -5.399
359 H TYR 49 H TYR 49 41.927 9.550 -1.106
360 HA TYR 49 HA TYR 49 40.862 12.090 -0.648
361 HD1 TYR 49 HD1 TYR 49 44.325 9.539 -1.218
362 HD2 TYR 49 HD2 TYR 49 42.477 11.455 2.101
363 HE1 TYR 49 HE1 TYR 49 44.928 7.631 0.211
364 HE2 TYR 49 HE2 TYR 49 43.077 9.555 3.540
365 HH TYR 49 HH TYR 49 45.140 7.639 3.296
366 HB2 TYR 49 HB2 TYR 49 43.763 11.918 -1.286
367 HB3 TYR 49 HB3 TYR 49 42.949 12.691 0.077
368 H SER 50 H SER 50 41.649 14.139 -1.686
369 HA SER 50 HA SER 50 40.832 14.285 -4.342
370 HG SER 50 HG SER 50 43.195 17.196 -2.855
371 HB2 SER 50 HB2 SER 50 41.160 16.527 -4.127
372 HB3 SER 50 HB3 SER 50 41.388 16.124 -2.427
373 H LYS 51 H LYS 51 42.753 15.749 -5.736
374 HA LYS 51 HA LYS 51 44.646 13.613 -6.379
375 HB2 LYS 51 HB2 LYS 51 43.419 15.860 -7.899
376 HB3 LYS 51 HB3 LYS 51 45.017 15.315 -8.391
377 HG2 LYS 51 HG2 LYS 51 43.787 12.947 -8.233
378 HG3 LYS 51 HG3 LYS 51 42.400 13.970 -8.613
379 HD2 LYS 51 HD2 LYS 51 43.147 13.400 -10.719
380 HD3 LYS 51 HD3 LYS 51 43.973 14.936 -10.455
381 HE2 LYS 51 HE2 LYS 51 45.297 12.374 -9.671
382 HE3 LYS 51 HE3 LYS 51 45.298 12.881 -11.359
383 HZ1 LYS 51 HZ1 LYS 51 47.264 13.715 -10.401
384 HZ2 LYS 51 HZ2 LYS 51 46.459 14.311 -9.039
385 HZ3 LYS 51 HZ3 LYS 51 46.230 15.047 -10.543
386 H HIS 52 H HIS 52 46.878 14.161 -6.892
387 HA HIS 52 HA HIS 52 47.886 16.203 -5.064
388 HD1 HIS 52 HD1 HIS 52 47.914 12.495 -7.099
389 HD2 HIS 52 HD2 HIS 52 51.516 14.534 -7.459
390 HE1 HIS 52 HE1 HIS 52 49.096 11.501 -9.104
391 HB2 HIS 52 HB2 HIS 52 50.036 15.086 -5.279
392 HB3 HIS 52 HB3 HIS 52 48.784 13.897 -4.911
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 31.629 11.848 10.870
2 H2 GLY 1 2H GLY 1 32.323 11.148 9.496
3 H3 GLY 1 3H GLY 1 32.781 12.703 9.973
4 HA2 GLY 1 HA2 GLY 1 34.468 11.801 11.066
5 HA3 GLY 1 HA3 GLY 1 33.266 11.182 12.187
6 H SER 2 H SER 2 35.547 9.788 11.940
7 HA SER 2 HA SER 2 35.045 7.615 10.048
8 HG SER 2 HG SER 2 36.856 9.666 10.161
9 HB2 SER 2 HB2 SER 2 37.433 7.891 11.873
10 HB3 SER 2 HB3 SER 2 37.296 6.934 10.400
11 HA PRO 3 HA PRO 3 33.524 5.227 13.502
12 HB2 PRO 3 HB2 PRO 3 32.314 3.338 12.062
13 HB3 PRO 3 HB3 PRO 3 31.695 4.994 12.081
14 HG2 PRO 3 HG2 PRO 3 33.218 3.563 9.966
15 HG3 PRO 3 HG3 PRO 3 31.983 4.822 9.806
16 HD2 PRO 3 HD2 PRO 3 34.798 5.162 9.705
17 HD3 PRO 3 HD3 PRO 3 33.569 6.439 9.746
18 HA PRO 4 HA PRO 4 36.826 2.246 13.715
19 HB2 PRO 4 HB2 PRO 4 36.190 1.126 16.082
20 HB3 PRO 4 HB3 PRO 4 36.939 2.722 15.957
21 HG2 PRO 4 HG2 PRO 4 34.082 1.997 16.432
22 HG3 PRO 4 HG3 PRO 4 35.037 3.311 17.137
23 HD2 PRO 4 HD2 PRO 4 33.249 3.641 15.080
24 HD3 PRO 4 HD3 PRO 4 34.636 4.710 15.370
25 H GLU 5 H GLU 5 33.704 1.645 13.085
26 HA GLU 5 HA GLU 5 33.958 -1.274 13.165
27 HB2 GLU 5 HB2 GLU 5 31.525 -1.280 12.667
28 HB3 GLU 5 HB3 GLU 5 31.914 -0.435 14.160
29 HG2 GLU 5 HG2 GLU 5 30.875 1.370 13.429
30 HG3 GLU 5 HG3 GLU 5 31.954 1.449 12.038
31 H ALA 6 H ALA 6 35.296 0.596 11.294
32 HA ALA 6 HA ALA 6 35.474 -0.802 9.011
33 HB1 ALA 6 HB1 ALA 6 33.466 -0.806 8.039
34 HB2 ALA 6 HB2 ALA 6 33.751 0.897 7.674
35 HB3 ALA 6 HB3 ALA 6 32.855 0.446 9.124
36 H ASP 7 H ASP 7 36.928 1.064 10.542
37 HA ASP 7 HA ASP 7 37.535 3.092 8.500
38 HB2 ASP 7 HB2 ASP 7 36.671 4.384 10.243
39 HB3 ASP 7 HB3 ASP 7 37.400 3.375 11.483
40 HA PRO 8 HA PRO 8 41.816 2.078 10.418
41 HB2 PRO 8 HB2 PRO 8 41.927 0.340 12.516
42 HB3 PRO 8 HB3 PRO 8 41.782 2.091 12.715
43 HG2 PRO 8 HG2 PRO 8 39.656 -0.012 12.829
44 HG3 PRO 8 HG3 PRO 8 39.897 1.395 13.882
45 HD2 PRO 8 HD2 PRO 8 38.065 1.380 11.910
46 HD3 PRO 8 HD3 PRO 8 38.943 2.849 12.370
47 H ARG 9 H ARG 9 39.349 -0.380 10.256
48 HA ARG 9 HA ARG 9 40.948 -2.638 9.819
49 HE ARG 9 HE ARG 9 38.572 -3.115 11.889
50 HB2 ARG 9 HB2 ARG 9 38.242 -2.151 9.934
51 HB3 ARG 9 HB3 ARG 9 38.475 -2.552 8.237
52 HG2 ARG 9 HG2 ARG 9 38.801 -4.716 8.676
53 HG3 ARG 9 HG3 ARG 9 39.848 -4.374 10.055
54 HD2 ARG 9 HD2 ARG 9 36.830 -4.324 10.029
55 HD3 ARG 9 HD3 ARG 9 37.855 -5.553 10.778
56 HH11 ARG 9 HH11 ARG 9 35.756 -5.158 11.734
57 HH12 ARG 9 HH12 ARG 9 35.138 -4.644 13.268
58 HH21 ARG 9 HH21 ARG 9 37.769 -2.433 13.913
59 HH22 ARG 9 HH22 ARG 9 36.283 -3.094 14.507
60 H LEU 10 H LEU 10 39.240 -0.672 7.365
61 HA LEU 10 HA LEU 10 40.557 -1.787 5.165
62 HG LEU 10 HG LEU 10 37.305 0.064 5.230
63 HB2 LEU 10 HB2 LEU 10 39.330 0.957 5.467
64 HB3 LEU 10 HB3 LEU 10 39.795 0.225 3.936
65 HD11 LEU 10 HD11 LEU 10 38.087 -0.039 2.752
66 HD12 LEU 10 HD12 LEU 10 36.602 -0.854 3.243
67 HD13 LEU 10 HD13 LEU 10 38.085 -1.781 3.020
68 HD21 LEU 10 HD21 LEU 10 37.101 -2.494 5.247
69 HD22 LEU 10 HD22 LEU 10 37.856 -1.717 6.639
70 HD23 LEU 10 HD23 LEU 10 38.857 -2.499 5.415
71 H ILE 11 H ILE 11 41.110 1.459 6.544
72 HA ILE 11 HA ILE 11 43.223 2.375 5.225
73 HB ILE 11 HB ILE 11 43.081 2.288 8.239
74 HG12 ILE 11 HG12 ILE 11 42.567 4.695 6.523
75 HG13 ILE 11 HG13 ILE 11 41.297 3.482 6.728
76 HG21 ILE 11 HG21 ILE 11 45.133 3.133 8.289
77 HG22 ILE 11 HG22 ILE 11 44.566 4.515 7.351
78 HG23 ILE 11 HG23 ILE 11 45.224 3.099 6.526
79 HD11 ILE 11 HD11 ILE 11 41.664 5.616 8.344
80 HD12 ILE 11 HD12 ILE 11 42.569 4.378 9.216
81 HD13 ILE 11 HD13 ILE 11 40.867 4.121 8.832
82 H GLU 12 H GLU 12 43.481 -0.203 7.658
83 HA GLU 12 HA GLU 12 46.300 -0.498 7.267
84 HB2 GLU 12 HB2 GLU 12 45.261 -1.095 9.413
85 HB3 GLU 12 HB3 GLU 12 44.311 -2.338 8.610
86 HG2 GLU 12 HG2 GLU 12 46.778 -3.107 7.883
87 HG3 GLU 12 HG3 GLU 12 47.138 -2.343 9.430
88 H SER 13 H SER 13 43.423 -2.285 6.285
89 HA SER 13 HA SER 13 44.807 -4.231 4.760
90 HG SER 13 HG SER 13 41.314 -4.474 5.853
91 HB2 SER 13 HB2 SER 13 42.000 -3.197 4.268
92 HB3 SER 13 HB3 SER 13 42.659 -4.762 3.786
93 H LEU 14 H LEU 14 44.312 -0.907 4.396
94 HA LEU 14 HA LEU 14 44.322 -0.834 1.520
95 HG LEU 14 HG LEU 14 44.110 1.633 0.625
96 HB2 LEU 14 HB2 LEU 14 43.628 0.940 3.528
97 HB3 LEU 14 HB3 LEU 14 45.110 1.626 2.867
98 HD11 LEU 14 HD11 LEU 14 41.622 1.239 0.489
99 HD12 LEU 14 HD12 LEU 14 41.745 0.460 2.067
100 HD13 LEU 14 HD13 LEU 14 42.618 -0.204 0.685
101 HD21 LEU 14 HD21 LEU 14 42.273 3.309 1.142
102 HD22 LEU 14 HD22 LEU 14 43.875 3.658 1.796
103 HD23 LEU 14 HD23 LEU 14 42.619 2.998 2.843
104 H SER 15 H SER 15 46.672 -0.975 4.027
105 HA SER 15 HA SER 15 48.869 0.273 2.929
106 HG SER 15 HG SER 15 50.279 -0.352 5.561
107 HB2 SER 15 HB2 SER 15 48.477 -1.306 5.113
108 HB3 SER 15 HB3 SER 15 49.430 -2.387 4.097
109 H GLN 16 H GLN 16 47.186 -2.475 1.926
110 HA GLN 16 HA GLN 16 49.245 -3.384 0.051
111 HB2 GLN 16 HB2 GLN 16 47.922 -5.321 -0.318
112 HB3 GLN 16 HB3 GLN 16 47.854 -5.017 1.413
113 HG2 GLN 16 HG2 GLN 16 45.649 -4.858 1.364
114 HG3 GLN 16 HG3 GLN 16 45.708 -3.654 0.077
115 HE21 GLN 16 HE21 GLN 16 43.630 -5.274 0.018
116 HE22 GLN 16 HE22 GLN 16 43.781 -6.470 -1.228
117 H MET 17 H MET 17 46.294 -1.618 0.211
118 HA MET 17 HA MET 17 45.988 -1.549 -2.692
119 HB2 MET 17 HB2 MET 17 43.882 -1.835 -1.824
120 HB3 MET 17 HB3 MET 17 44.248 -0.940 -0.356
121 HG2 MET 17 HG2 MET 17 42.611 0.227 -1.704
122 HG3 MET 17 HG3 MET 17 44.108 1.157 -1.588
123 HE1 MET 17 HE1 MET 17 41.803 -0.411 -4.953
124 HE2 MET 17 HE2 MET 17 41.737 1.321 -4.630
125 HE3 MET 17 HE3 MET 17 41.411 0.171 -3.335
126 H LEU 18 H LEU 18 45.711 0.947 -0.142
127 HA LEU 18 HA LEU 18 46.091 3.188 -1.624
128 HG LEU 18 HG LEU 18 46.846 5.083 1.516
129 HB2 LEU 18 HB2 LEU 18 45.664 3.069 0.844
130 HB3 LEU 18 HB3 LEU 18 47.378 2.736 1.069
131 HD11 LEU 18 HD11 LEU 18 48.708 5.946 0.491
132 HD12 LEU 18 HD12 LEU 18 48.378 5.133 -1.039
133 HD13 LEU 18 HD13 LEU 18 49.007 4.215 0.329
134 HD21 LEU 18 HD21 LEU 18 45.359 6.166 0.277
135 HD22 LEU 18 HD22 LEU 18 45.278 4.811 -0.850
136 HD23 LEU 18 HD23 LEU 18 46.465 6.091 -1.095
137 H SER 19 H SER 19 48.740 1.543 0.077
138 HA SER 19 HA SER 19 50.885 2.893 -0.909
139 HG SER 19 HG SER 19 52.888 1.004 -1.198
140 HB2 SER 19 HB2 SER 19 50.843 0.965 0.771
141 HB3 SER 19 HB3 SER 19 50.952 -0.108 -0.625
142 H MET 20 H MET 20 48.737 1.043 -2.803
143 HA MET 20 HA MET 20 50.694 0.584 -4.915
144 HB2 MET 20 HB2 MET 20 48.635 -0.952 -4.136
145 HB3 MET 20 HB3 MET 20 47.805 0.020 -5.344
146 HG2 MET 20 HG2 MET 20 50.146 -0.729 -6.603
147 HG3 MET 20 HG3 MET 20 49.684 -2.162 -5.675
148 HE1 MET 20 HE1 MET 20 47.818 -0.309 -9.316
149 HE2 MET 20 HE2 MET 20 48.893 0.449 -8.142
150 HE3 MET 20 HE3 MET 20 47.151 0.469 -7.882
151 H GLY 21 H GLY 21 49.230 3.185 -3.851
152 HA2 GLY 21 HA2 GLY 21 49.226 5.239 -5.043
153 HA3 GLY 21 HA3 GLY 21 48.969 4.340 -6.534
154 H PHE 22 H PHE 22 47.010 3.055 -4.188
155 HA PHE 22 HA PHE 22 44.770 3.070 -3.842
156 HD1 PHE 22 HD2 PHE 22 42.453 5.266 -5.118
157 HD2 PHE 22 HD1 PHE 22 45.938 7.563 -4.296
158 HE1 PHE 22 HE2 PHE 22 41.590 7.075 -6.551
159 HE2 PHE 22 HE1 PHE 22 45.083 9.382 -5.729
160 HZ PHE 22 HZ PHE 22 42.904 9.134 -6.858
161 HB2 PHE 22 HB2 PHE 22 44.029 5.018 -2.966
162 HB3 PHE 22 HB3 PHE 22 45.668 5.576 -3.244
163 H SER 23 H SER 23 43.184 2.388 -5.134
164 HA SER 23 HA SER 23 42.150 3.694 -7.346
165 HG SER 23 HG SER 23 43.670 1.511 -10.000
166 HB2 SER 23 HB2 SER 23 43.890 3.438 -8.797
167 HB3 SER 23 HB3 SER 23 44.546 2.046 -7.928
168 H ASP 24 H ASP 24 40.180 2.923 -7.345
169 HA ASP 24 HA ASP 24 39.796 0.020 -7.290
170 HB2 ASP 24 HB2 ASP 24 39.335 0.989 -5.007
171 HB3 ASP 24 HB3 ASP 24 38.009 1.902 -5.736
172 H GLU 25 H GLU 25 39.175 -0.238 -9.365
173 HA GLU 25 HA GLU 25 36.589 0.484 -10.169
174 HB2 GLU 25 HB2 GLU 25 38.696 2.422 -10.768
175 HB3 GLU 25 HB3 GLU 25 37.839 1.878 -12.203
176 HG2 GLU 25 HG2 GLU 25 36.129 2.589 -9.925
177 HG3 GLU 25 HG3 GLU 25 37.047 3.921 -10.626
178 H GLY 26 H GLY 26 39.869 -0.354 -11.148
179 HA2 GLY 26 HA2 GLY 26 39.194 -1.580 -13.613
180 HA3 GLY 26 HA3 GLY 26 40.670 -1.863 -12.688
181 H GLY 27 H GLY 27 39.187 -2.714 -10.303
182 HA2 GLY 27 HA2 GLY 27 37.696 -4.516 -9.710
183 HA3 GLY 27 HA3 GLY 27 38.042 -5.252 -11.267
184 H TRP 28 H TRP 28 40.625 -3.895 -9.372
185 HA TRP 28 HA TRP 28 41.670 -6.604 -8.982
186 HD1 TRP 28 HD1 TRP 28 42.043 -2.552 -10.332
187 HE1 TRP 28 HE1 TRP 28 42.761 -0.387 -9.139
188 HE3 TRP 28 HE3 TRP 28 44.821 -4.591 -6.564
189 HZ2 TRP 28 HZ2 TRP 28 44.306 0.357 -6.895
190 HZ3 TRP 28 HZ3 TRP 28 45.890 -3.088 -4.936
191 HH2 TRP 28 HH2 TRP 28 45.637 -0.664 -5.098
192 HB2 TRP 28 HB2 TRP 28 43.852 -5.511 -8.625
193 HB3 TRP 28 HB3 TRP 28 43.144 -5.082 -10.185
194 H LEU 29 H LEU 29 40.109 -4.185 -7.265
195 HA LEU 29 HA LEU 29 41.307 -5.009 -4.711
196 HG LEU 29 HG LEU 29 40.555 -3.742 -2.780
197 HB2 LEU 29 HB2 LEU 29 40.987 -2.532 -5.425
198 HB3 LEU 29 HB3 LEU 29 39.295 -2.804 -5.016
199 HD11 LEU 29 HD11 LEU 29 42.005 -1.409 -2.541
200 HD12 LEU 29 HD12 LEU 29 42.408 -1.988 -4.158
201 HD13 LEU 29 HD13 LEU 29 42.662 -3.031 -2.759
202 HD21 LEU 29 HD21 LEU 29 40.058 -0.892 -2.608
203 HD22 LEU 29 HD22 LEU 29 39.217 -2.236 -1.836
204 HD23 LEU 29 HD23 LEU 29 38.774 -1.741 -3.470
205 H THR 30 H THR 30 38.178 -4.547 -6.308
206 HA THR 30 HA THR 30 36.442 -5.412 -4.382
207 HB THR 30 HB THR 30 36.415 -5.784 -7.366
208 HG1 THR 30 HG1 THR 30 35.566 -3.885 -7.271
209 HG21 THR 30 HG21 THR 30 35.055 -7.586 -6.494
210 HG22 THR 30 HG22 THR 30 34.044 -6.340 -7.227
211 HG23 THR 30 HG23 THR 30 34.176 -6.449 -5.472
212 H ARG 31 H ARG 31 38.856 -7.263 -5.948
213 HA ARG 31 HA ARG 31 37.625 -9.820 -5.515
214 HE ARG 31 HE ARG 31 38.628 -12.020 -8.813
215 HB2 ARG 31 HB2 ARG 31 39.413 -9.180 -7.279
216 HB3 ARG 31 HB3 ARG 31 40.565 -9.404 -5.970
217 HG2 ARG 31 HG2 ARG 31 40.029 -11.689 -5.755
218 HG3 ARG 31 HG3 ARG 31 38.589 -11.521 -6.760
219 HD2 ARG 31 HD2 ARG 31 41.034 -10.673 -8.103
220 HD3 ARG 31 HD3 ARG 31 41.065 -12.368 -7.609
221 HH11 ARG 31 HH11 ARG 31 41.954 -11.575 -9.741
222 HH12 ARG 31 HH12 ARG 31 41.670 -11.915 -11.415
223 HH21 ARG 31 HH21 ARG 31 38.238 -12.467 -11.014
224 HH22 ARG 31 HH22 ARG 31 39.554 -12.422 -12.138
225 H LEU 32 H LEU 32 39.831 -7.727 -3.753
226 HA LEU 32 HA LEU 32 40.307 -9.821 -1.786
227 HG LEU 32 HG LEU 32 43.441 -8.436 -0.806
228 HB2 LEU 32 HB2 LEU 32 42.150 -8.346 -2.696
229 HB3 LEU 32 HB3 LEU 32 41.439 -7.038 -1.769
230 HD11 LEU 32 HD11 LEU 32 42.167 -6.600 0.302
231 HD12 LEU 32 HD12 LEU 32 42.766 -7.840 1.403
232 HD13 LEU 32 HD13 LEU 32 41.066 -7.822 0.937
233 HD21 LEU 32 HD21 LEU 32 41.058 -10.116 -0.043
234 HD22 LEU 32 HD22 LEU 32 42.679 -10.264 0.634
235 HD23 LEU 32 HD23 LEU 32 42.401 -10.614 -1.072
236 H LEU 33 H LEU 33 39.769 -6.343 -1.288
237 HA LEU 33 HA LEU 33 38.850 -6.409 1.251
238 HG LEU 33 HG LEU 33 37.962 -2.911 0.961
239 HB2 LEU 33 HB2 LEU 33 38.889 -4.528 -0.776
240 HB3 LEU 33 HB3 LEU 33 37.181 -4.660 -0.383
241 HD11 LEU 33 HD11 LEU 33 37.849 -3.769 3.259
242 HD12 LEU 33 HD12 LEU 33 38.042 -5.411 2.644
243 HD13 LEU 33 HD13 LEU 33 36.609 -4.473 2.222
244 HD21 LEU 33 HD21 LEU 33 39.994 -2.952 2.257
245 HD22 LEU 33 HD22 LEU 33 40.368 -3.351 0.580
246 HD23 LEU 33 HD23 LEU 33 40.296 -4.626 1.797
247 H GLN 34 H GLN 34 36.797 -6.665 -1.595
248 HA GLN 34 HA GLN 34 34.339 -6.862 -0.690
249 HB2 GLN 34 HB2 GLN 34 34.967 -7.308 -3.021
250 HB3 GLN 34 HB3 GLN 34 35.427 -8.948 -2.574
251 HG2 GLN 34 HG2 GLN 34 33.249 -9.028 -3.530
252 HG3 GLN 34 HG3 GLN 34 33.091 -9.307 -1.788
253 HE21 GLN 34 HE21 GLN 34 32.599 -7.352 -0.478
254 HE22 GLN 34 HE22 GLN 34 31.492 -6.191 -1.151
255 H THR 35 H THR 35 36.749 -9.238 0.161
256 HA THR 35 HA THR 35 35.441 -11.459 0.874
257 HB THR 35 HB THR 35 37.330 -9.950 2.691
258 HG1 THR 35 HG1 THR 35 38.845 -11.452 1.669
259 HG21 THR 35 HG21 THR 35 37.984 -12.359 3.307
260 HG22 THR 35 HG22 THR 35 36.375 -12.778 2.718
261 HG23 THR 35 HG23 THR 35 36.555 -11.643 4.055
262 H LYS 36 H LYS 36 34.908 -8.316 2.312
263 HA LYS 36 HA LYS 36 33.300 -9.439 4.470
264 HB2 LYS 36 HB2 LYS 36 34.173 -6.654 3.761
265 HB3 LYS 36 HB3 LYS 36 32.955 -6.946 4.999
266 HG2 LYS 36 HG2 LYS 36 35.235 -6.646 5.901
267 HG3 LYS 36 HG3 LYS 36 34.516 -8.205 6.315
268 HD2 LYS 36 HD2 LYS 36 35.917 -9.376 4.901
269 HD3 LYS 36 HD3 LYS 36 36.217 -7.975 3.870
270 HE2 LYS 36 HE2 LYS 36 37.764 -7.063 5.344
271 HE3 LYS 36 HE3 LYS 36 37.157 -7.997 6.712
272 HZ1 LYS 36 HZ1 LYS 36 38.041 -9.809 4.791
273 HZ2 LYS 36 HZ2 LYS 36 38.721 -9.489 6.306
274 HZ3 LYS 36 HZ3 LYS 36 39.251 -8.635 4.947
275 H ASN 37 H ASN 37 32.834 -8.023 1.344
276 HA ASN 37 HA ASN 37 30.915 -8.213 0.066
277 HB2 ASN 37 HB2 ASN 37 29.291 -8.223 2.614
278 HB3 ASN 37 HB3 ASN 37 28.756 -8.654 0.986
279 HD21 ASN 37 HD21 ASN 37 31.153 -10.122 0.344
280 HD22 ASN 37 HD22 ASN 37 31.071 -11.616 1.229
281 H TYR 38 H TYR 38 32.282 -5.944 1.648
282 HA TYR 38 HA TYR 38 30.385 -3.951 0.747
283 HD1 TYR 38 HD1 TYR 38 33.329 -4.727 2.517
284 HD2 TYR 38 HD2 TYR 38 30.831 -2.830 5.393
285 HE1 TYR 38 HE1 TYR 38 35.129 -4.884 4.169
286 HE2 TYR 38 HE2 TYR 38 32.632 -2.983 7.060
287 HH TYR 38 HH TYR 38 35.456 -4.871 6.546
288 HB2 TYR 38 HB2 TYR 38 30.522 -2.632 2.762
289 HB3 TYR 38 HB3 TYR 38 29.998 -4.259 3.174
290 H ASP 39 H ASP 39 32.368 -4.359 -0.843
291 HA ASP 39 HA ASP 39 34.593 -2.610 -0.131
292 HB2 ASP 39 HB2 ASP 39 35.167 -4.815 -1.014
293 HB3 ASP 39 HB3 ASP 39 34.236 -4.476 -2.474
294 H ILE 40 H ILE 40 35.416 -1.148 -1.783
295 HA ILE 40 HA ILE 40 35.247 0.429 -3.432
296 HB ILE 40 HB ILE 40 32.993 -1.235 -4.106
297 HG12 ILE 40 HG12 ILE 40 33.568 0.251 -6.323
298 HG13 ILE 40 HG13 ILE 40 35.062 0.400 -5.390
299 HG21 ILE 40 HG21 ILE 40 31.417 0.417 -3.626
300 HG22 ILE 40 HG22 ILE 40 31.745 0.643 -5.344
301 HG23 ILE 40 HG23 ILE 40 32.482 1.718 -4.159
302 HD11 ILE 40 HD11 ILE 40 35.399 -1.458 -6.750
303 HD12 ILE 40 HD12 ILE 40 33.767 -2.069 -6.481
304 HD13 ILE 40 HD13 ILE 40 34.961 -2.145 -5.186
305 H GLY 41 H GLY 41 32.025 0.245 -1.882
306 HA2 GLY 41 HA2 GLY 41 31.614 2.943 -1.545
307 HA3 GLY 41 HA3 GLY 41 31.010 1.725 -0.424
308 H ALA 42 H ALA 42 33.329 0.729 0.554
309 HA ALA 42 HA ALA 42 34.159 2.875 2.329
310 HB1 ALA 42 HB1 ALA 42 34.399 -0.098 2.342
311 HB2 ALA 42 HB2 ALA 42 33.757 0.986 3.575
312 HB3 ALA 42 HB3 ALA 42 35.500 0.857 3.336
313 H ALA 43 H ALA 43 35.684 0.556 0.122
314 HA ALA 43 HA ALA 43 38.329 1.166 0.399
315 HB1 ALA 43 HB1 ALA 43 37.222 0.868 -2.362
316 HB2 ALA 43 HB2 ALA 43 37.114 -0.471 -1.221
317 HB3 ALA 43 HB3 ALA 43 38.689 0.186 -1.661
318 H LEU 44 H LEU 44 36.381 2.627 -2.209
319 HA LEU 44 HA LEU 44 38.086 4.613 -2.978
320 HG LEU 44 HG LEU 44 37.291 6.019 -4.608
321 HB2 LEU 44 HB2 LEU 44 35.444 3.958 -3.491
322 HB3 LEU 44 HB3 LEU 44 35.351 5.599 -2.855
323 HD11 LEU 44 HD11 LEU 44 36.905 3.400 -5.126
324 HD12 LEU 44 HD12 LEU 44 37.522 4.562 -6.302
325 HD13 LEU 44 HD13 LEU 44 35.812 4.128 -6.303
326 HD21 LEU 44 HD21 LEU 44 34.800 6.838 -4.433
327 HD22 LEU 44 HD22 LEU 44 34.577 5.747 -5.801
328 HD23 LEU 44 HD23 LEU 44 35.732 7.076 -5.911
329 H ASP 45 H ASP 45 36.290 4.421 -0.053
330 HA ASP 45 HA ASP 45 36.211 7.133 0.669
331 HB2 ASP 45 HB2 ASP 45 35.225 4.869 1.766
332 HB3 ASP 45 HB3 ASP 45 36.577 5.174 2.853
333 H THR 46 H THR 46 38.628 4.618 1.426
334 HA THR 46 HA THR 46 40.319 6.635 2.647
335 HB THR 46 HB THR 46 41.850 4.654 3.074
336 HG1 THR 46 HG1 THR 46 40.117 3.484 1.437
337 HG21 THR 46 HG21 THR 46 39.253 5.172 4.282
338 HG22 THR 46 HG22 THR 46 40.826 4.903 5.032
339 HG23 THR 46 HG23 THR 46 39.842 3.528 4.531
340 H ILE 47 H ILE 47 40.433 4.444 -0.130
341 HA ILE 47 HA ILE 47 42.999 5.316 -1.011
342 HB ILE 47 HB ILE 47 42.382 4.290 -3.174
343 HG12 ILE 47 HG12 ILE 47 39.786 3.385 -2.016
344 HG13 ILE 47 HG13 ILE 47 39.876 4.986 -2.743
345 HG21 ILE 47 HG21 ILE 47 42.058 1.988 -2.329
346 HG22 ILE 47 HG22 ILE 47 41.707 2.654 -0.735
347 HG23 ILE 47 HG23 ILE 47 43.303 2.875 -1.450
348 HD11 ILE 47 HD11 ILE 47 41.084 3.054 -4.474
349 HD12 ILE 47 HD12 ILE 47 39.710 4.118 -4.767
350 HD13 ILE 47 HD13 ILE 47 39.459 2.541 -4.022
351 H GLN 48 H GLN 48 39.999 6.791 -0.846
352 HA GLN 48 HA GLN 48 40.906 9.036 -2.458
353 HB2 GLN 48 HB2 GLN 48 38.798 7.195 -3.313
354 HB3 GLN 48 HB3 GLN 48 38.280 8.874 -3.281
355 HG2 GLN 48 HG2 GLN 48 39.566 9.450 -5.026
356 HG3 GLN 48 HG3 GLN 48 40.892 8.399 -4.532
357 HE21 GLN 48 HE21 GLN 48 39.603 5.959 -4.439
358 HE22 GLN 48 HE22 GLN 48 39.122 5.510 -6.041
359 H TYR 49 H TYR 49 41.007 9.858 -0.254
360 HA TYR 49 HA TYR 49 38.586 10.203 1.248
361 HD1 TYR 49 HD2 TYR 49 41.638 8.613 2.164
362 HD2 TYR 49 HD1 TYR 49 42.406 12.669 1.131
363 HE1 TYR 49 HE2 TYR 49 43.976 8.036 1.665
364 HE2 TYR 49 HE1 TYR 49 44.745 12.104 0.630
365 HH TYR 49 HH TYR 49 45.861 9.290 -0.022
366 HB2 TYR 49 HB2 TYR 49 40.385 12.087 2.233
367 HB3 TYR 49 HB3 TYR 49 40.118 10.460 2.864
368 H SER 50 H SER 50 40.794 12.710 0.016
369 HA SER 50 HA SER 50 38.821 14.079 -1.475
370 HG SER 50 HG SER 50 37.239 16.293 0.348
371 HB2 SER 50 HB2 SER 50 38.153 14.477 1.006
372 HB3 SER 50 HB3 SER 50 39.536 15.571 1.035
373 H LYS 51 H LYS 51 41.142 13.454 -2.411
374 HA LYS 51 HA LYS 51 42.574 15.989 -2.589
375 HB2 LYS 51 HB2 LYS 51 43.765 14.702 -0.858
376 HB3 LYS 51 HB3 LYS 51 43.960 13.369 -1.988
377 HG2 LYS 51 HG2 LYS 51 45.527 14.498 -3.258
378 HG3 LYS 51 HG3 LYS 51 45.005 16.081 -2.680
379 HD2 LYS 51 HD2 LYS 51 45.799 15.136 -0.360
380 HD3 LYS 51 HD3 LYS 51 46.768 14.064 -1.372
381 HE2 LYS 51 HE2 LYS 51 48.208 15.838 -1.047
382 HE3 LYS 51 HE3 LYS 51 47.452 16.258 -2.582
383 HZ1 LYS 51 HZ1 LYS 51 47.218 17.543 0.009
384 HZ2 LYS 51 HZ2 LYS 51 45.783 17.428 -0.879
385 HZ3 LYS 51 HZ3 LYS 51 47.128 18.210 -1.543
386 H HIS 52 H HIS 52 43.660 16.301 -4.543
387 HA HIS 52 HA HIS 52 43.503 14.152 -6.527
388 HD1 HIS 52 HD1 HIS 52 41.615 17.015 -4.702
389 HD2 HIS 52 HD2 HIS 52 42.464 18.561 -8.464
390 HE1 HIS 52 HE1 HIS 52 41.254 19.512 -4.541
391 HB2 HIS 52 HB2 HIS 52 42.727 15.929 -8.205
392 HB3 HIS 52 HB3 HIS 52 41.528 15.314 -7.067
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 28.667 9.406 10.764
2 H2 GLY 1 2H GLY 1 28.560 9.048 12.414
3 H3 GLY 1 3H GLY 1 27.166 9.446 11.544
4 HA2 GLY 1 HA2 GLY 1 27.460 7.017 12.035
5 HA3 GLY 1 HA3 GLY 1 27.167 7.441 10.356
6 H SER 2 H SER 2 29.311 5.980 12.580
7 HA SER 2 HA SER 2 31.328 5.631 10.461
8 HG SER 2 HG SER 2 32.839 3.953 12.879
9 HB2 SER 2 HB2 SER 2 32.406 6.680 12.287
10 HB3 SER 2 HB3 SER 2 31.575 5.666 13.467
11 HA PRO 3 HA PRO 3 30.422 1.331 10.236
12 HB2 PRO 3 HB2 PRO 3 32.916 0.303 9.787
13 HB3 PRO 3 HB3 PRO 3 31.955 1.123 8.552
14 HG2 PRO 3 HG2 PRO 3 34.188 2.186 10.234
15 HG3 PRO 3 HG3 PRO 3 33.857 2.452 8.512
16 HD2 PRO 3 HD2 PRO 3 33.249 4.288 10.395
17 HD3 PRO 3 HD3 PRO 3 32.256 4.062 8.939
18 HA PRO 4 HA PRO 4 31.265 -0.834 13.980
19 HB2 PRO 4 HB2 PRO 4 32.156 -3.274 12.623
20 HB3 PRO 4 HB3 PRO 4 30.687 -2.989 13.559
21 HG2 PRO 4 HG2 PRO 4 30.648 -3.320 10.881
22 HG3 PRO 4 HG3 PRO 4 29.500 -2.263 11.724
23 HD2 PRO 4 HD2 PRO 4 31.974 -1.542 10.194
24 HD3 PRO 4 HD3 PRO 4 30.387 -0.742 10.213
25 H GLU 5 H GLU 5 33.451 0.726 13.398
26 HA GLU 5 HA GLU 5 35.573 0.978 14.240
27 HB2 GLU 5 HB2 GLU 5 35.734 -2.006 14.627
28 HB3 GLU 5 HB3 GLU 5 36.660 -0.753 15.442
29 HG2 GLU 5 HG2 GLU 5 33.717 -0.706 15.771
30 HG3 GLU 5 HG3 GLU 5 34.614 -1.989 16.584
31 H ALA 6 H ALA 6 34.691 0.116 11.470
32 HA ALA 6 HA ALA 6 37.160 -1.092 10.474
33 HB1 ALA 6 HB1 ALA 6 35.835 -1.124 8.288
34 HB2 ALA 6 HB2 ALA 6 34.442 -0.681 9.272
35 HB3 ALA 6 HB3 ALA 6 35.296 -2.192 9.584
36 H ASP 7 H ASP 7 37.351 1.541 11.441
37 HA ASP 7 HA ASP 7 37.414 3.264 9.087
38 HB2 ASP 7 HB2 ASP 7 37.241 3.686 11.942
39 HB3 ASP 7 HB3 ASP 7 38.575 4.610 11.258
40 HA PRO 8 HA PRO 8 42.084 3.305 10.143
41 HB2 PRO 8 HB2 PRO 8 42.962 2.031 12.359
42 HB3 PRO 8 HB3 PRO 8 42.360 3.693 12.411
43 HG2 PRO 8 HG2 PRO 8 40.948 1.147 13.115
44 HG3 PRO 8 HG3 PRO 8 40.961 2.693 13.984
45 HD2 PRO 8 HD2 PRO 8 38.919 1.936 12.368
46 HD3 PRO 8 HD3 PRO 8 39.390 3.632 12.589
47 H ARG 9 H ARG 9 40.147 0.521 10.686
48 HA ARG 9 HA ARG 9 42.075 -1.499 10.231
49 HE ARG 9 HE ARG 9 37.392 -3.719 11.383
50 HB2 ARG 9 HB2 ARG 9 39.633 -1.609 11.192
51 HB3 ARG 9 HB3 ARG 9 39.187 -1.843 9.509
52 HG2 ARG 9 HG2 ARG 9 40.996 -3.712 9.570
53 HG3 ARG 9 HG3 ARG 9 40.759 -3.620 11.316
54 HD2 ARG 9 HD2 ARG 9 38.473 -3.937 9.386
55 HD3 ARG 9 HD3 ARG 9 39.347 -5.318 10.052
56 HH11 ARG 9 HH11 ARG 9 40.261 -5.626 11.863
57 HH12 ARG 9 HH12 ARG 9 39.891 -6.009 13.511
58 HH21 ARG 9 HH21 ARG 9 36.891 -4.214 13.556
59 HH22 ARG 9 HH22 ARG 9 37.974 -5.206 14.474
60 H LEU 10 H LEU 10 39.396 -0.520 8.080
61 HA LEU 10 HA LEU 10 40.468 -1.729 5.793
62 HG LEU 10 HG LEU 10 37.171 -1.407 6.553
63 HB2 LEU 10 HB2 LEU 10 38.429 0.436 6.210
64 HB3 LEU 10 HB3 LEU 10 38.902 -0.061 4.590
65 HD11 LEU 10 HD11 LEU 10 36.120 -0.673 4.625
66 HD12 LEU 10 HD12 LEU 10 36.346 -2.393 4.340
67 HD13 LEU 10 HD13 LEU 10 37.426 -1.224 3.580
68 HD21 LEU 10 HD21 LEU 10 37.708 -3.658 5.761
69 HD22 LEU 10 HD22 LEU 10 39.067 -2.936 6.623
70 HD23 LEU 10 HD23 LEU 10 39.081 -3.013 4.861
71 H ILE 11 H ILE 11 41.062 1.386 7.224
72 HA ILE 11 HA ILE 11 42.046 2.818 5.073
73 HB ILE 11 HB ILE 11 42.890 2.813 7.962
74 HG12 ILE 11 HG12 ILE 11 40.636 3.753 6.897
75 HG13 ILE 11 HG13 ILE 11 41.455 4.591 8.220
76 HG21 ILE 11 HG21 ILE 11 44.843 3.678 7.241
77 HG22 ILE 11 HG22 ILE 11 43.889 5.151 7.056
78 HG23 ILE 11 HG23 ILE 11 44.192 4.114 5.661
79 HD11 ILE 11 HD11 ILE 11 41.794 5.254 5.303
80 HD12 ILE 11 HD12 ILE 11 42.441 6.146 6.680
81 HD13 ILE 11 HD13 ILE 11 40.699 6.085 6.407
82 H GLU 12 H GLU 12 43.969 0.797 7.304
83 HA GLU 12 HA GLU 12 46.271 0.922 5.622
84 HB2 GLU 12 HB2 GLU 12 47.384 -0.308 7.261
85 HB3 GLU 12 HB3 GLU 12 46.165 0.560 8.185
86 HG2 GLU 12 HG2 GLU 12 44.740 -1.434 8.159
87 HG3 GLU 12 HG3 GLU 12 45.990 -2.301 7.264
88 H SER 13 H SER 13 43.919 -1.631 6.358
89 HA SER 13 HA SER 13 45.009 -3.659 4.834
90 HG SER 13 HG SER 13 42.669 -5.612 5.376
91 HB2 SER 13 HB2 SER 13 42.923 -3.757 6.302
92 HB3 SER 13 HB3 SER 13 42.041 -3.088 4.929
93 H LEU 14 H LEU 14 43.676 -0.663 3.845
94 HA LEU 14 HA LEU 14 43.334 -1.543 1.082
95 HG LEU 14 HG LEU 14 40.713 0.291 0.502
96 HB2 LEU 14 HB2 LEU 14 42.474 0.827 2.659
97 HB3 LEU 14 HB3 LEU 14 42.750 1.050 0.937
98 HD11 LEU 14 HD11 LEU 14 41.620 -1.914 0.254
99 HD12 LEU 14 HD12 LEU 14 40.044 -2.029 1.032
100 HD13 LEU 14 HD13 LEU 14 41.514 -2.200 1.991
101 HD21 LEU 14 HD21 LEU 14 39.122 0.259 2.146
102 HD22 LEU 14 HD22 LEU 14 40.429 1.101 2.978
103 HD23 LEU 14 HD23 LEU 14 40.151 -0.615 3.280
104 H SER 15 H SER 15 45.437 0.448 3.061
105 HA SER 15 HA SER 15 46.806 1.809 1.040
106 HG SER 15 HG SER 15 46.519 3.096 2.769
107 HB2 SER 15 HB2 SER 15 47.720 0.817 3.745
108 HB3 SER 15 HB3 SER 15 48.742 1.799 2.696
109 H GLN 16 H GLN 16 47.129 -1.311 2.396
110 HA GLN 16 HA GLN 16 49.413 -2.422 1.533
111 HB2 GLN 16 HB2 GLN 16 48.405 -4.517 1.522
112 HB3 GLN 16 HB3 GLN 16 47.293 -3.575 2.506
113 HG2 GLN 16 HG2 GLN 16 45.756 -3.363 0.701
114 HG3 GLN 16 HG3 GLN 16 46.913 -4.049 -0.440
115 HE21 GLN 16 HE21 GLN 16 44.884 -4.748 2.339
116 HE22 GLN 16 HE22 GLN 16 44.762 -6.455 2.058
117 H MET 17 H MET 17 46.770 -1.415 -0.535
118 HA MET 17 HA MET 17 48.190 -2.347 -2.920
119 HB2 MET 17 HB2 MET 17 46.190 -2.223 -4.080
120 HB3 MET 17 HB3 MET 17 45.657 -2.689 -2.470
121 HG2 MET 17 HG2 MET 17 45.328 -0.180 -2.066
122 HG3 MET 17 HG3 MET 17 45.445 -0.022 -3.820
123 HE1 MET 17 HE1 MET 17 42.637 0.196 -4.961
124 HE2 MET 17 HE2 MET 17 42.523 -1.528 -5.319
125 HE3 MET 17 HE3 MET 17 44.083 -0.708 -5.412
126 H LEU 18 H LEU 18 47.222 0.582 -1.264
127 HA LEU 18 HA LEU 18 47.551 2.438 -3.312
128 HG LEU 18 HG LEU 18 46.827 5.063 -0.951
129 HB2 LEU 18 HB2 LEU 18 46.629 2.729 -0.918
130 HB3 LEU 18 HB3 LEU 18 48.306 3.031 -0.472
131 HD11 LEU 18 HD11 LEU 18 49.509 4.658 -1.186
132 HD12 LEU 18 HD12 LEU 18 48.708 6.225 -1.303
133 HD13 LEU 18 HD13 LEU 18 49.107 5.326 -2.767
134 HD21 LEU 18 HD21 LEU 18 47.464 4.818 -3.809
135 HD22 LEU 18 HD22 LEU 18 46.037 5.486 -3.016
136 HD23 LEU 18 HD23 LEU 18 46.192 3.742 -3.231
137 H SER 19 H SER 19 49.910 0.420 -2.068
138 HA SER 19 HA SER 19 52.095 2.302 -2.307
139 HG SER 19 HG SER 19 51.387 -1.340 -1.550
140 HB2 SER 19 HB2 SER 19 53.521 0.457 -1.668
141 HB3 SER 19 HB3 SER 19 52.110 0.448 -0.610
142 H MET 20 H MET 20 50.143 1.035 -4.489
143 HA MET 20 HA MET 20 52.279 0.423 -6.419
144 HB2 MET 20 HB2 MET 20 50.262 -1.230 -5.756
145 HB3 MET 20 HB3 MET 20 49.475 -0.321 -7.039
146 HG2 MET 20 HG2 MET 20 52.182 -1.286 -7.658
147 HG3 MET 20 HG3 MET 20 50.955 -2.540 -7.426
148 HE1 MET 20 HE1 MET 20 48.855 -2.611 -8.367
149 HE2 MET 20 HE2 MET 20 49.243 -3.107 -10.015
150 HE3 MET 20 HE3 MET 20 48.211 -1.705 -9.734
151 H GLY 21 H GLY 21 50.035 2.754 -5.496
152 HA2 GLY 21 HA2 GLY 21 50.195 4.845 -6.758
153 HA3 GLY 21 HA3 GLY 21 50.059 3.883 -8.222
154 H PHE 22 H PHE 22 48.016 2.325 -6.339
155 HA PHE 22 HA PHE 22 45.815 2.569 -5.656
156 HD1 PHE 22 HD2 PHE 22 46.459 4.661 -8.995
157 HD2 PHE 22 HD1 PHE 22 43.025 5.578 -6.654
158 HE1 PHE 22 HE2 PHE 22 45.333 5.533 -10.996
159 HE2 PHE 22 HE1 PHE 22 41.890 6.439 -8.660
160 HZ PHE 22 HZ PHE 22 43.042 6.421 -10.830
161 HB2 PHE 22 HB2 PHE 22 44.772 4.546 -5.643
162 HB3 PHE 22 HB3 PHE 22 46.300 5.209 -6.175
163 H SER 23 H SER 23 44.341 1.256 -6.480
164 HA SER 23 HA SER 23 43.730 1.308 -9.315
165 HG SER 23 HG SER 23 45.906 -0.632 -7.307
166 HB2 SER 23 HB2 SER 23 44.199 -1.441 -8.512
167 HB3 SER 23 HB3 SER 23 44.803 -0.569 -9.919
168 H ASP 24 H ASP 24 41.771 2.077 -8.269
169 HA ASP 24 HA ASP 24 40.059 -0.173 -7.466
170 HB2 ASP 24 HB2 ASP 24 38.860 1.418 -5.915
171 HB3 ASP 24 HB3 ASP 24 40.489 0.962 -5.408
172 H GLU 25 H GLU 25 38.822 -0.381 -9.273
173 HA GLU 25 HA GLU 25 37.067 1.830 -9.936
174 HB2 GLU 25 HB2 GLU 25 37.640 1.892 -12.277
175 HB3 GLU 25 HB3 GLU 25 39.099 2.164 -11.331
176 HG2 GLU 25 HG2 GLU 25 39.947 0.046 -11.804
177 HG3 GLU 25 HG3 GLU 25 38.384 -0.561 -12.340
178 H GLY 26 H GLY 26 36.360 -0.527 -8.722
179 HA2 GLY 26 HA2 GLY 26 34.828 -2.235 -8.893
180 HA3 GLY 26 HA3 GLY 26 34.325 -1.496 -10.415
181 H GLY 27 H GLY 27 37.474 -2.822 -9.552
182 HA2 GLY 27 HA2 GLY 27 37.149 -4.768 -11.753
183 HA3 GLY 27 HA3 GLY 27 38.680 -4.017 -11.335
184 H TRP 28 H TRP 28 39.798 -4.722 -9.483
185 HA TRP 28 HA TRP 28 39.182 -7.482 -8.779
186 HD1 TRP 28 HD1 TRP 28 41.710 -4.547 -10.340
187 HE1 TRP 28 HE1 TRP 28 43.076 -2.634 -9.299
188 HE3 TRP 28 HE3 TRP 28 42.365 -6.485 -5.656
189 HZ2 TRP 28 HZ2 TRP 28 44.288 -2.032 -6.803
190 HZ3 TRP 28 HZ3 TRP 28 43.639 -5.180 -4.004
191 HH2 TRP 28 HH2 TRP 28 44.579 -2.998 -4.571
192 HB2 TRP 28 HB2 TRP 28 41.501 -7.420 -7.764
193 HB3 TRP 28 HB3 TRP 28 41.427 -7.166 -9.512
194 H LEU 29 H LEU 29 40.304 -4.598 -6.994
195 HA LEU 29 HA LEU 29 40.286 -5.147 -4.470
196 HG LEU 29 HG LEU 29 41.352 -2.710 -4.353
197 HB2 LEU 29 HB2 LEU 29 39.557 -2.847 -5.910
198 HB3 LEU 29 HB3 LEU 29 38.366 -3.021 -4.624
199 HD11 LEU 29 HD11 LEU 29 40.517 -0.590 -4.417
200 HD12 LEU 29 HD12 LEU 29 40.352 -0.926 -2.695
201 HD13 LEU 29 HD13 LEU 29 38.951 -1.062 -3.758
202 HD21 LEU 29 HD21 LEU 29 41.372 -3.636 -2.323
203 HD22 LEU 29 HD22 LEU 29 39.846 -4.393 -2.781
204 HD23 LEU 29 HD23 LEU 29 39.842 -2.882 -1.872
205 H THR 30 H THR 30 37.193 -5.080 -6.220
206 HA THR 30 HA THR 30 35.509 -5.509 -4.030
207 HB THR 30 HB THR 30 34.554 -6.867 -6.404
208 HG1 THR 30 HG1 THR 30 35.708 -5.662 -7.726
209 HG21 THR 30 HG21 THR 30 32.763 -5.325 -6.305
210 HG22 THR 30 HG22 THR 30 33.690 -4.213 -5.299
211 HG23 THR 30 HG23 THR 30 33.163 -5.763 -4.644
212 H ARG 31 H ARG 31 37.836 -7.570 -5.259
213 HA ARG 31 HA ARG 31 36.457 -10.017 -4.483
214 HE ARG 31 HE ARG 31 40.484 -12.247 -6.967
215 HB2 ARG 31 HB2 ARG 31 37.710 -10.014 -6.585
216 HB3 ARG 31 HB3 ARG 31 39.180 -9.589 -5.719
217 HG2 ARG 31 HG2 ARG 31 37.872 -11.995 -4.706
218 HG3 ARG 31 HG3 ARG 31 38.408 -12.116 -6.382
219 HD2 ARG 31 HD2 ARG 31 40.339 -10.892 -4.531
220 HD3 ARG 31 HD3 ARG 31 39.982 -12.595 -4.227
221 HH11 ARG 31 HH11 ARG 31 42.143 -12.143 -3.910
222 HH12 ARG 31 HH12 ARG 31 43.675 -12.604 -4.575
223 HH21 ARG 31 HH21 ARG 31 42.499 -12.859 -7.858
224 HH22 ARG 31 HH22 ARG 31 43.877 -13.011 -6.819
225 H LEU 32 H LEU 32 38.898 -7.826 -3.300
226 HA LEU 32 HA LEU 32 39.762 -9.749 -1.293
227 HG LEU 32 HG LEU 32 40.918 -7.635 0.467
228 HB2 LEU 32 HB2 LEU 32 41.679 -8.740 -1.957
229 HB3 LEU 32 HB3 LEU 32 40.860 -7.268 -2.434
230 HD11 LEU 32 HD11 LEU 32 43.408 -7.901 -1.096
231 HD12 LEU 32 HD12 LEU 32 43.008 -8.488 0.518
232 HD13 LEU 32 HD13 LEU 32 43.447 -6.796 0.278
233 HD21 LEU 32 HD21 LEU 32 41.174 -5.530 -1.552
234 HD22 LEU 32 HD22 LEU 32 42.191 -5.301 -0.129
235 HD23 LEU 32 HD23 LEU 32 40.446 -5.480 0.053
236 H LEU 33 H LEU 33 39.114 -6.275 -1.023
237 HA LEU 33 HA LEU 33 38.519 -6.307 1.675
238 HG LEU 33 HG LEU 33 36.317 -4.002 1.749
239 HB2 LEU 33 HB2 LEU 33 38.939 -4.288 0.279
240 HB3 LEU 33 HB3 LEU 33 37.324 -4.467 -0.390
241 HD11 LEU 33 HD11 LEU 33 37.532 -3.670 3.753
242 HD12 LEU 33 HD12 LEU 33 39.076 -3.738 2.910
243 HD13 LEU 33 HD13 LEU 33 38.090 -5.192 3.066
244 HD21 LEU 33 HD21 LEU 33 38.374 -1.905 1.825
245 HD22 LEU 33 HD22 LEU 33 36.626 -1.774 1.649
246 HD23 LEU 33 HD23 LEU 33 37.626 -2.166 0.250
247 H GLN 34 H GLN 34 36.335 -6.547 -1.067
248 HA GLN 34 HA GLN 34 33.913 -6.491 0.020
249 HB2 GLN 34 HB2 GLN 34 34.351 -6.962 -2.342
250 HB3 GLN 34 HB3 GLN 34 34.760 -8.622 -1.928
251 HG2 GLN 34 HG2 GLN 34 32.595 -8.898 -2.563
252 HG3 GLN 34 HG3 GLN 34 32.368 -8.584 -0.836
253 HE21 GLN 34 HE21 GLN 34 32.233 -6.137 -0.351
254 HE22 GLN 34 HE22 GLN 34 31.149 -5.244 -1.378
255 H THR 35 H THR 35 36.225 -8.936 0.815
256 HA THR 35 HA THR 35 34.909 -11.128 1.544
257 HB THR 35 HB THR 35 36.971 -9.561 3.058
258 HG1 THR 35 HG1 THR 35 38.229 -11.355 2.462
259 HG21 THR 35 HG21 THR 35 36.070 -12.290 3.918
260 HG22 THR 35 HG22 THR 35 35.552 -10.805 4.716
261 HG23 THR 35 HG23 THR 35 37.260 -11.240 4.685
262 H LYS 36 H LYS 36 34.450 -7.975 3.022
263 HA LYS 36 HA LYS 36 32.610 -9.131 4.988
264 HB2 LYS 36 HB2 LYS 36 32.893 -6.247 5.125
265 HB3 LYS 36 HB3 LYS 36 33.205 -7.467 6.357
266 HG2 LYS 36 HG2 LYS 36 35.096 -6.511 4.220
267 HG3 LYS 36 HG3 LYS 36 35.218 -6.244 5.959
268 HD2 LYS 36 HD2 LYS 36 35.035 -9.001 5.699
269 HD3 LYS 36 HD3 LYS 36 36.077 -8.506 4.364
270 HE2 LYS 36 HE2 LYS 36 36.714 -7.159 6.868
271 HE3 LYS 36 HE3 LYS 36 36.860 -8.912 6.976
272 HZ1 LYS 36 HZ1 LYS 36 38.044 -8.254 4.596
273 HZ2 LYS 36 HZ2 LYS 36 38.838 -8.664 6.031
274 HZ3 LYS 36 HZ3 LYS 36 38.555 -7.039 5.658
275 H ASN 37 H ASN 37 32.617 -7.360 2.034
276 HA ASN 37 HA ASN 37 30.851 -7.043 0.612
277 HB2 ASN 37 HB2 ASN 37 29.538 -8.415 2.653
278 HB3 ASN 37 HB3 ASN 37 28.648 -6.895 2.503
279 HD21 ASN 37 HD21 ASN 37 30.211 -9.243 0.347
280 HD22 ASN 37 HD22 ASN 37 28.879 -9.369 -0.761
281 H TYR 38 H TYR 38 32.370 -5.227 2.422
282 HA TYR 38 HA TYR 38 30.719 -2.903 1.909
283 HD1 TYR 38 HD1 TYR 38 33.575 -4.404 3.474
284 HD2 TYR 38 HD2 TYR 38 31.822 -1.806 6.351
285 HE1 TYR 38 HE1 TYR 38 35.596 -4.582 4.847
286 HE2 TYR 38 HE2 TYR 38 33.846 -1.975 7.737
287 HH TYR 38 HH TYR 38 35.970 -4.216 7.627
288 HB2 TYR 38 HB2 TYR 38 30.928 -1.977 4.059
289 HB3 TYR 38 HB3 TYR 38 30.575 -3.675 4.353
290 H ASP 39 H ASP 39 32.562 -3.406 0.169
291 HA ASP 39 HA ASP 39 34.915 -1.813 0.904
292 HB2 ASP 39 HB2 ASP 39 36.221 -3.040 -0.623
293 HB3 ASP 39 HB3 ASP 39 35.263 -4.234 0.253
294 H ILE 40 H ILE 40 35.944 -0.645 -0.863
295 HA ILE 40 HA ILE 40 35.940 0.533 -2.866
296 HB ILE 40 HB ILE 40 33.598 -0.778 -3.321
297 HG12 ILE 40 HG12 ILE 40 33.603 0.407 -5.501
298 HG13 ILE 40 HG13 ILE 40 34.759 1.566 -4.833
299 HG21 ILE 40 HG21 ILE 40 32.908 2.141 -3.020
300 HG22 ILE 40 HG22 ILE 40 32.177 0.777 -2.174
301 HG23 ILE 40 HG23 ILE 40 31.924 0.979 -3.908
302 HD11 ILE 40 HD11 ILE 40 36.432 0.225 -5.362
303 HD12 ILE 40 HD12 ILE 40 35.284 -0.897 -6.090
304 HD13 ILE 40 HD13 ILE 40 35.737 -1.075 -4.394
305 H GLY 41 H GLY 41 33.216 1.241 -0.674
306 HA2 GLY 41 HA2 GLY 41 33.573 4.060 -0.858
307 HA3 GLY 41 HA3 GLY 41 32.626 3.213 0.365
308 H ALA 42 H ALA 42 34.392 1.651 1.550
309 HA ALA 42 HA ALA 42 35.850 3.463 3.211
310 HB1 ALA 42 HB1 ALA 42 34.878 1.611 4.296
311 HB2 ALA 42 HB2 ALA 42 36.616 1.306 4.313
312 HB3 ALA 42 HB3 ALA 42 35.584 0.469 3.152
313 H ALA 43 H ALA 43 36.577 1.755 0.361
314 HA ALA 43 HA ALA 43 39.426 1.590 0.839
315 HB1 ALA 43 HB1 ALA 43 39.459 0.126 -0.853
316 HB2 ALA 43 HB2 ALA 43 38.521 1.184 -1.905
317 HB3 ALA 43 HB3 ALA 43 37.702 0.158 -0.729
318 H LEU 44 H LEU 44 37.422 3.174 -1.652
319 HA LEU 44 HA LEU 44 39.180 4.659 -3.000
320 HG LEU 44 HG LEU 44 38.051 6.594 -4.367
321 HB2 LEU 44 HB2 LEU 44 36.435 4.807 -2.542
322 HB3 LEU 44 HB3 LEU 44 37.034 6.414 -2.143
323 HD11 LEU 44 HD11 LEU 44 38.127 4.930 -5.912
324 HD12 LEU 44 HD12 LEU 44 36.647 4.169 -5.326
325 HD13 LEU 44 HD13 LEU 44 38.160 3.943 -4.450
326 HD21 LEU 44 HD21 LEU 44 36.115 7.507 -4.945
327 HD22 LEU 44 HD22 LEU 44 35.267 6.496 -3.774
328 HD23 LEU 44 HD23 LEU 44 35.520 5.916 -5.421
329 H ASP 45 H ASP 45 38.033 5.445 0.254
330 HA ASP 45 HA ASP 45 39.068 7.920 0.671
331 HB2 ASP 45 HB2 ASP 45 37.870 6.287 2.306
332 HB3 ASP 45 HB3 ASP 45 39.503 5.813 2.765
333 H THR 46 H THR 46 40.889 4.868 0.946
334 HA THR 46 HA THR 46 43.359 6.325 1.361
335 HB THR 46 HB THR 46 44.384 4.077 1.527
336 HG1 THR 46 HG1 THR 46 41.763 3.080 1.178
337 HG21 THR 46 HG21 THR 46 43.691 3.706 3.622
338 HG22 THR 46 HG22 THR 46 41.989 3.657 3.165
339 HG23 THR 46 HG23 THR 46 42.796 5.208 3.392
340 H ILE 47 H ILE 47 42.061 4.102 -1.084
341 HA ILE 47 HA ILE 47 44.260 4.726 -2.889
342 HB ILE 47 HB ILE 47 42.579 3.372 -4.479
343 HG12 ILE 47 HG12 ILE 47 40.954 3.307 -2.446
344 HG13 ILE 47 HG13 ILE 47 41.193 1.844 -3.396
345 HG21 ILE 47 HG21 ILE 47 43.790 1.319 -3.799
346 HG22 ILE 47 HG22 ILE 47 44.423 2.199 -2.407
347 HG23 ILE 47 HG23 ILE 47 44.842 2.714 -4.042
348 HD11 ILE 47 HD11 ILE 47 42.262 0.765 -1.717
349 HD12 ILE 47 HD12 ILE 47 41.257 1.847 -0.754
350 HD13 ILE 47 HD13 ILE 47 42.948 2.246 -1.049
351 H GLN 48 H GLN 48 42.562 6.893 -2.015
352 HA GLN 48 HA GLN 48 42.164 8.237 -4.435
353 HB2 GLN 48 HB2 GLN 48 40.185 6.397 -4.128
354 HB3 GLN 48 HB3 GLN 48 39.448 7.806 -3.377
355 HG2 GLN 48 HG2 GLN 48 38.772 7.885 -5.605
356 HG3 GLN 48 HG3 GLN 48 40.074 9.068 -5.488
357 HE21 GLN 48 HE21 GLN 48 39.998 5.536 -5.852
358 HE22 GLN 48 HE22 GLN 48 40.987 5.495 -7.278
359 H TYR 49 H TYR 49 43.002 8.593 -1.546
360 HA TYR 49 HA TYR 49 41.438 10.130 0.009
361 HD1 TYR 49 HD1 TYR 49 44.520 8.033 0.281
362 HD2 TYR 49 HD2 TYR 49 45.186 11.669 -1.825
363 HE1 TYR 49 HE1 TYR 49 46.438 7.007 -0.870
364 HE2 TYR 49 HE2 TYR 49 47.106 10.655 -2.979
365 HH TYR 49 HH TYR 49 47.729 7.320 -2.932
366 HB2 TYR 49 HB2 TYR 49 43.739 11.608 0.120
367 HB3 TYR 49 HB3 TYR 49 43.464 10.103 1.002
368 H SER 50 H SER 50 40.845 12.309 0.186
369 HA SER 50 HA SER 50 40.653 13.687 -2.385
370 HG SER 50 HG SER 50 38.281 15.749 -0.258
371 HB2 SER 50 HB2 SER 50 38.536 13.783 -1.538
372 HB3 SER 50 HB3 SER 50 39.089 13.699 0.135
373 H LYS 51 H LYS 51 41.705 15.511 -2.854
374 HA LYS 51 HA LYS 51 43.527 16.583 -0.841
375 HB2 LYS 51 HB2 LYS 51 43.437 17.460 -3.710
376 HB3 LYS 51 HB3 LYS 51 44.799 17.460 -2.598
377 HG2 LYS 51 HG2 LYS 51 45.450 15.567 -3.549
378 HG3 LYS 51 HG3 LYS 51 44.061 14.790 -2.786
379 HD2 LYS 51 HD2 LYS 51 43.593 14.241 -4.937
380 HD3 LYS 51 HD3 LYS 51 42.839 15.837 -4.920
381 HE2 LYS 51 HE2 LYS 51 44.130 15.885 -6.851
382 HE3 LYS 51 HE3 LYS 51 45.153 16.692 -5.665
383 HZ1 LYS 51 HZ1 LYS 51 45.553 14.184 -7.039
384 HZ2 LYS 51 HZ2 LYS 51 45.894 14.128 -5.384
385 HZ3 LYS 51 HZ3 LYS 51 46.687 15.248 -6.374
386 H HIS 52 H HIS 52 43.878 19.145 -1.915
387 HA HIS 52 HA HIS 52 41.303 20.484 -1.849
388 HD1 HIS 52 HD1 HIS 52 45.064 20.160 -0.367
389 HD2 HIS 52 HD2 HIS 52 42.150 19.513 2.523
390 HE1 HIS 52 HE1 HIS 52 46.134 18.710 1.408
391 HB2 HIS 52 HB2 HIS 52 42.710 21.991 0.004
392 HB3 HIS 52 HB3 HIS 52 41.380 20.888 0.360
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 25.438 -0.169 6.010
2 H2 GLY 1 2H GLY 1 26.942 -0.581 6.663
3 H3 GLY 1 3H GLY 1 26.414 -1.311 5.232
4 HA2 GLY 1 HA2 GLY 1 27.120 0.350 3.955
5 HA3 GLY 1 HA3 GLY 1 26.448 1.547 5.052
6 H SER 2 H SER 2 27.708 1.982 7.051
7 HA SER 2 HA SER 2 30.484 2.337 6.360
8 HG SER 2 HG SER 2 29.755 5.215 7.610
9 HB2 SER 2 HB2 SER 2 28.910 3.111 8.826
10 HB3 SER 2 HB3 SER 2 30.601 3.533 8.553
11 HA PRO 3 HA PRO 3 32.137 -1.136 8.511
12 HB2 PRO 3 HB2 PRO 3 34.591 -0.216 9.179
13 HB3 PRO 3 HB3 PRO 3 34.142 -0.602 7.515
14 HG2 PRO 3 HG2 PRO 3 34.284 2.058 8.872
15 HG3 PRO 3 HG3 PRO 3 34.794 1.605 7.236
16 HD2 PRO 3 HD2 PRO 3 32.444 2.882 7.779
17 HD3 PRO 3 HD3 PRO 3 32.674 1.808 6.384
18 HA PRO 4 HA PRO 4 31.767 -0.692 12.874
19 HB2 PRO 4 HB2 PRO 4 33.551 -2.458 13.857
20 HB3 PRO 4 HB3 PRO 4 32.096 -2.966 12.990
21 HG2 PRO 4 HG2 PRO 4 34.914 -2.763 12.010
22 HG3 PRO 4 HG3 PRO 4 33.703 -4.018 11.693
23 HD2 PRO 4 HD2 PRO 4 34.299 -1.999 9.941
24 HD3 PRO 4 HD3 PRO 4 32.727 -2.820 10.001
25 H GLU 5 H GLU 5 32.347 1.235 13.685
26 HA GLU 5 HA GLU 5 33.612 2.539 15.111
27 HB2 GLU 5 HB2 GLU 5 35.071 0.398 15.377
28 HB3 GLU 5 HB3 GLU 5 36.150 1.209 14.251
29 HG2 GLU 5 HG2 GLU 5 35.324 2.099 16.995
30 HG3 GLU 5 HG3 GLU 5 36.941 1.698 16.414
31 H ALA 6 H ALA 6 35.023 1.687 12.021
32 HA ALA 6 HA ALA 6 34.705 4.011 10.677
33 HB1 ALA 6 HB1 ALA 6 36.017 5.582 11.553
34 HB2 ALA 6 HB2 ALA 6 37.429 4.567 11.280
35 HB3 ALA 6 HB3 ALA 6 36.551 4.455 12.797
36 H ASP 7 H ASP 7 37.366 4.306 9.487
37 HA ASP 7 HA ASP 7 37.542 1.659 8.220
38 HB2 ASP 7 HB2 ASP 7 38.410 2.848 6.234
39 HB3 ASP 7 HB3 ASP 7 36.790 3.374 6.679
40 HA PRO 8 HA PRO 8 41.785 2.849 10.025
41 HB2 PRO 8 HB2 PRO 8 41.808 1.604 12.399
42 HB3 PRO 8 HB3 PRO 8 41.126 3.226 12.221
43 HG2 PRO 8 HG2 PRO 8 39.719 0.588 12.352
44 HG3 PRO 8 HG3 PRO 8 39.303 2.118 13.146
45 HD2 PRO 8 HD2 PRO 8 38.113 1.235 10.843
46 HD3 PRO 8 HD3 PRO 8 38.269 2.944 11.282
47 H ARG 9 H ARG 9 40.030 -0.170 10.693
48 HA ARG 9 HA ARG 9 42.181 -1.930 10.520
49 HE ARG 9 HE ARG 9 39.325 -4.684 13.687
50 HB2 ARG 9 HB2 ARG 9 39.229 -2.154 10.255
51 HB3 ARG 9 HB3 ARG 9 40.184 -3.487 9.621
52 HG2 ARG 9 HG2 ARG 9 41.297 -3.025 12.102
53 HG3 ARG 9 HG3 ARG 9 39.569 -2.777 12.364
54 HD2 ARG 9 HD2 ARG 9 39.633 -5.029 10.799
55 HD3 ARG 9 HD3 ARG 9 41.055 -5.231 11.826
56 HH11 ARG 9 HH11 ARG 9 38.759 -6.620 10.834
57 HH12 ARG 9 HH12 ARG 9 37.535 -7.583 11.584
58 HH21 ARG 9 HH21 ARG 9 37.719 -5.955 14.670
59 HH22 ARG 9 HH22 ARG 9 36.944 -7.208 13.760
60 H LEU 10 H LEU 10 40.437 -0.227 8.072
61 HA LEU 10 HA LEU 10 41.408 -1.904 5.919
62 HG LEU 10 HG LEU 10 38.266 -0.461 6.754
63 HB2 LEU 10 HB2 LEU 10 39.952 0.737 5.757
64 HB3 LEU 10 HB3 LEU 10 40.163 -0.435 4.461
65 HD11 LEU 10 HD11 LEU 10 37.869 0.034 4.206
66 HD12 LEU 10 HD12 LEU 10 36.692 -0.892 5.137
67 HD13 LEU 10 HD13 LEU 10 37.839 -1.724 4.085
68 HD21 LEU 10 HD21 LEU 10 39.079 -2.494 7.361
69 HD22 LEU 10 HD22 LEU 10 39.780 -2.813 5.774
70 HD23 LEU 10 HD23 LEU 10 38.046 -3.014 6.030
71 H ILE 11 H ILE 11 41.638 1.582 6.661
72 HA ILE 11 HA ILE 11 43.431 2.513 4.948
73 HB ILE 11 HB ILE 11 43.508 2.951 7.930
74 HG12 ILE 11 HG12 ILE 11 42.758 5.093 6.027
75 HG13 ILE 11 HG13 ILE 11 41.637 3.729 6.124
76 HG21 ILE 11 HG21 ILE 11 45.639 3.624 7.462
77 HG22 ILE 11 HG22 ILE 11 44.773 5.108 7.066
78 HG23 ILE 11 HG23 ILE 11 45.272 4.005 5.780
79 HD11 ILE 11 HD11 ILE 11 42.061 5.914 7.963
80 HD12 ILE 11 HD12 ILE 11 42.201 4.351 8.766
81 HD13 ILE 11 HD13 ILE 11 40.737 4.753 7.870
82 H GLU 12 H GLU 12 44.250 0.264 7.546
83 HA GLU 12 HA GLU 12 47.063 0.362 6.884
84 HB2 GLU 12 HB2 GLU 12 47.263 -1.470 8.581
85 HB3 GLU 12 HB3 GLU 12 46.545 0.007 9.205
86 HG2 GLU 12 HG2 GLU 12 44.347 -1.391 8.398
87 HG3 GLU 12 HG3 GLU 12 45.419 -2.676 8.952
88 H SER 13 H SER 13 44.384 -1.911 6.579
89 HA SER 13 HA SER 13 45.853 -3.911 5.211
90 HG SER 13 HG SER 13 44.377 -4.243 7.093
91 HB2 SER 13 HB2 SER 13 42.884 -3.284 5.193
92 HB3 SER 13 HB3 SER 13 43.605 -4.745 4.517
93 H LEU 14 H LEU 14 44.948 -0.788 4.361
94 HA LEU 14 HA LEU 14 44.664 -1.335 1.518
95 HG LEU 14 HG LEU 14 42.257 1.348 1.866
96 HB2 LEU 14 HB2 LEU 14 44.128 0.934 3.308
97 HB3 LEU 14 HB3 LEU 14 44.741 1.378 1.716
98 HD11 LEU 14 HD11 LEU 14 43.737 -0.424 -0.037
99 HD12 LEU 14 HD12 LEU 14 43.031 1.169 -0.311
100 HD13 LEU 14 HD13 LEU 14 41.986 -0.242 -0.152
101 HD21 LEU 14 HD21 LEU 14 42.829 -1.399 2.773
102 HD22 LEU 14 HD22 LEU 14 41.483 -1.220 1.650
103 HD23 LEU 14 HD23 LEU 14 41.488 -0.326 3.168
104 H SER 15 H SER 15 47.153 -0.607 3.729
105 HA SER 15 HA SER 15 48.899 0.960 2.262
106 HG SER 15 HG SER 15 51.484 0.354 4.111
107 HB2 SER 15 HB2 SER 15 49.435 0.352 4.542
108 HB3 SER 15 HB3 SER 15 49.511 -1.358 4.115
109 H GLN 16 H GLN 16 47.788 -2.172 1.707
110 HA GLN 16 HA GLN 16 49.895 -3.201 0.096
111 HB2 GLN 16 HB2 GLN 16 48.375 -4.945 -0.544
112 HB3 GLN 16 HB3 GLN 16 48.125 -4.608 1.163
113 HG2 GLN 16 HG2 GLN 16 46.196 -3.144 0.467
114 HG3 GLN 16 HG3 GLN 16 46.384 -3.819 -1.151
115 HE21 GLN 16 HE21 GLN 16 44.354 -4.769 -1.099
116 HE22 GLN 16 HE22 GLN 16 44.014 -6.171 -0.138
117 H MET 17 H MET 17 46.911 -1.433 -0.603
118 HA MET 17 HA MET 17 47.455 -1.427 -3.447
119 HB2 MET 17 HB2 MET 17 45.165 -1.578 -2.989
120 HB3 MET 17 HB3 MET 17 45.238 -0.346 -1.737
121 HG2 MET 17 HG2 MET 17 44.152 0.223 -4.001
122 HG3 MET 17 HG3 MET 17 45.243 1.392 -3.251
123 HE1 MET 17 HE1 MET 17 45.885 -1.612 -6.402
124 HE2 MET 17 HE2 MET 17 46.001 -1.885 -4.663
125 HE3 MET 17 HE3 MET 17 47.455 -1.554 -5.603
126 H LEU 18 H LEU 18 46.770 1.230 -1.162
127 HA LEU 18 HA LEU 18 47.537 3.400 -2.559
128 HG LEU 18 HG LEU 18 49.614 4.521 0.254
129 HB2 LEU 18 HB2 LEU 18 46.839 3.663 -0.288
130 HB3 LEU 18 HB3 LEU 18 48.215 2.736 0.305
131 HD11 LEU 18 HD11 LEU 18 49.971 5.109 -1.898
132 HD12 LEU 18 HD12 LEU 18 48.974 6.489 -1.442
133 HD13 LEU 18 HD13 LEU 18 48.253 5.125 -2.297
134 HD21 LEU 18 HD21 LEU 18 46.851 5.658 0.405
135 HD22 LEU 18 HD22 LEU 18 48.264 6.706 0.522
136 HD23 LEU 18 HD23 LEU 18 48.029 5.409 1.695
137 H SER 19 H SER 19 49.781 1.433 -0.702
138 HA SER 19 HA SER 19 52.185 2.536 -1.239
139 HG SER 19 HG SER 19 53.840 0.723 -1.813
140 HB2 SER 19 HB2 SER 19 52.209 0.636 0.150
141 HB3 SER 19 HB3 SER 19 51.413 -0.368 -1.062
142 H MET 20 H MET 20 50.134 0.986 -3.562
143 HA MET 20 HA MET 20 52.257 0.798 -5.550
144 HB2 MET 20 HB2 MET 20 49.928 -0.649 -5.107
145 HB3 MET 20 HB3 MET 20 49.552 0.326 -6.521
146 HG2 MET 20 HG2 MET 20 52.165 -1.045 -6.529
147 HG3 MET 20 HG3 MET 20 50.728 -2.071 -6.648
148 HE1 MET 20 HE1 MET 20 49.001 -1.921 -8.989
149 HE2 MET 20 HE2 MET 20 48.926 -0.306 -9.692
150 HE3 MET 20 HE3 MET 20 48.693 -0.524 -7.958
151 H GLY 21 H GLY 21 49.769 2.946 -4.559
152 HA2 GLY 21 HA2 GLY 21 49.501 5.157 -5.242
153 HA3 GLY 21 HA3 GLY 21 50.550 4.835 -6.614
154 H PHE 22 H PHE 22 47.532 3.247 -5.561
155 HA PHE 22 HA PHE 22 46.189 4.312 -7.931
156 HD1 PHE 22 HD1 PHE 22 44.598 3.722 -9.407
157 HD2 PHE 22 HD2 PHE 22 45.397 -0.300 -8.274
158 HE1 PHE 22 HE1 PHE 22 42.517 3.007 -10.504
159 HE2 PHE 22 HE2 PHE 22 43.320 -1.025 -9.376
160 HZ PHE 22 HZ PHE 22 41.875 0.629 -10.490
161 HB2 PHE 22 HB2 PHE 22 47.141 2.359 -8.874
162 HB3 PHE 22 HB3 PHE 22 46.741 1.387 -7.464
163 H SER 23 H SER 23 43.996 4.419 -7.801
164 HA SER 23 HA SER 23 42.865 4.197 -5.169
165 HG SER 23 HG SER 23 43.371 6.361 -6.301
166 HB2 SER 23 HB2 SER 23 41.369 4.958 -7.668
167 HB3 SER 23 HB3 SER 23 41.068 5.472 -6.006
168 H ASP 24 H ASP 24 40.139 3.754 -6.353
169 HA ASP 24 HA ASP 24 40.248 0.880 -6.920
170 HB2 ASP 24 HB2 ASP 24 39.035 2.180 -4.573
171 HB3 ASP 24 HB3 ASP 24 37.980 1.036 -5.409
172 H GLU 25 H GLU 25 39.510 0.928 -9.017
173 HA GLU 25 HA GLU 25 37.708 2.797 -10.037
174 HB2 GLU 25 HB2 GLU 25 38.966 1.614 -11.626
175 HB3 GLU 25 HB3 GLU 25 38.547 0.054 -10.931
176 HG2 GLU 25 HG2 GLU 25 37.442 0.457 -13.079
177 HG3 GLU 25 HG3 GLU 25 36.293 0.240 -11.759
178 H GLY 26 H GLY 26 37.181 -0.305 -8.475
179 HA2 GLY 26 HA2 GLY 26 35.095 -0.432 -7.161
180 HA3 GLY 26 HA3 GLY 26 34.282 0.261 -8.563
181 H GLY 27 H GLY 27 35.930 -2.603 -7.328
182 HA2 GLY 27 HA2 GLY 27 34.556 -4.669 -7.786
183 HA3 GLY 27 HA3 GLY 27 34.589 -4.154 -9.461
184 H TRP 28 H TRP 28 37.544 -3.302 -8.619
185 HA TRP 28 HA TRP 28 38.644 -5.878 -9.461
186 HD1 TRP 28 HD1 TRP 28 39.437 -1.229 -9.856
187 HE1 TRP 28 HE1 TRP 28 41.059 0.018 -8.301
188 HE3 TRP 28 HE3 TRP 28 42.015 -5.229 -7.988
189 HZ2 TRP 28 HZ2 TRP 28 43.144 -0.610 -6.499
190 HZ3 TRP 28 HZ3 TRP 28 43.801 -4.823 -6.349
191 HH2 TRP 28 HH2 TRP 28 44.354 -2.560 -5.623
192 HB2 TRP 28 HB2 TRP 28 40.505 -4.733 -10.304
193 HB3 TRP 28 HB3 TRP 28 39.154 -3.646 -10.645
194 H LEU 29 H LEU 29 38.667 -3.656 -6.760
195 HA LEU 29 HA LEU 29 40.702 -5.299 -5.419
196 HG LEU 29 HG LEU 29 42.227 -4.066 -3.925
197 HB2 LEU 29 HB2 LEU 29 40.920 -2.754 -5.593
198 HB3 LEU 29 HB3 LEU 29 39.596 -2.675 -4.436
199 HD11 LEU 29 HD11 LEU 29 41.259 -1.311 -3.217
200 HD12 LEU 29 HD12 LEU 29 42.728 -1.766 -4.080
201 HD13 LEU 29 HD13 LEU 29 42.571 -2.116 -2.359
202 HD21 LEU 29 HD21 LEU 29 41.117 -3.502 -1.513
203 HD22 LEU 29 HD22 LEU 29 40.976 -5.052 -2.344
204 HD23 LEU 29 HD23 LEU 29 39.683 -3.859 -2.477
205 H THR 30 H THR 30 37.391 -4.409 -5.447
206 HA THR 30 HA THR 30 36.549 -4.920 -2.862
207 HB THR 30 HB THR 30 34.451 -5.877 -4.199
208 HG1 THR 30 HG1 THR 30 35.650 -4.305 -6.199
209 HG21 THR 30 HG21 THR 30 33.597 -3.907 -3.694
210 HG22 THR 30 HG22 THR 30 34.532 -3.142 -4.979
211 HG23 THR 30 HG23 THR 30 35.221 -3.305 -3.364
212 H ARG 31 H ARG 31 37.302 -7.059 -5.488
213 HA ARG 31 HA ARG 31 36.398 -9.493 -4.882
214 HE ARG 31 HE ARG 31 41.961 -7.796 -5.849
215 HB2 ARG 31 HB2 ARG 31 38.298 -10.469 -5.872
216 HB3 ARG 31 HB3 ARG 31 38.190 -8.872 -6.599
217 HG2 ARG 31 HG2 ARG 31 39.902 -8.064 -5.033
218 HG3 ARG 31 HG3 ARG 31 40.036 -9.695 -4.368
219 HD2 ARG 31 HD2 ARG 31 41.346 -10.366 -6.045
220 HD3 ARG 31 HD3 ARG 31 40.261 -9.681 -7.258
221 HH11 ARG 31 HH11 ARG 31 41.480 -9.776 -8.675
222 HH12 ARG 31 HH12 ARG 31 42.573 -8.861 -9.660
223 HH21 ARG 31 HH21 ARG 31 43.400 -6.586 -7.138
224 HH22 ARG 31 HH22 ARG 31 43.664 -7.049 -8.787
225 H LEU 32 H LEU 32 39.180 -8.017 -3.190
226 HA LEU 32 HA LEU 32 39.189 -10.178 -1.307
227 HG LEU 32 HG LEU 32 40.290 -6.767 -1.903
228 HB2 LEU 32 HB2 LEU 32 41.122 -9.065 -0.296
229 HB3 LEU 32 HB3 LEU 32 41.299 -9.313 -2.021
230 HD11 LEU 32 HD11 LEU 32 40.540 -6.625 0.500
231 HD12 LEU 32 HD12 LEU 32 41.733 -5.592 -0.284
232 HD13 LEU 32 HD13 LEU 32 42.218 -7.151 0.381
233 HD21 LEU 32 HD21 LEU 32 42.906 -8.042 -2.358
234 HD22 LEU 32 HD22 LEU 32 42.919 -6.300 -2.087
235 HD23 LEU 32 HD23 LEU 32 41.960 -6.980 -3.401
236 H LEU 33 H LEU 33 39.044 -6.654 -0.632
237 HA LEU 33 HA LEU 33 38.174 -6.959 1.972
238 HG LEU 33 HG LEU 33 38.276 -3.428 2.297
239 HB2 LEU 33 HB2 LEU 33 38.402 -4.817 0.067
240 HB3 LEU 33 HB3 LEU 33 36.895 -4.656 0.955
241 HD11 LEU 33 HD11 LEU 33 39.237 -5.869 3.624
242 HD12 LEU 33 HD12 LEU 33 37.498 -5.787 3.349
243 HD13 LEU 33 HD13 LEU 33 38.307 -4.515 4.264
244 HD21 LEU 33 HD21 LEU 33 40.564 -5.339 1.883
245 HD22 LEU 33 HD22 LEU 33 40.616 -3.718 2.575
246 HD23 LEU 33 HD23 LEU 33 40.273 -3.933 0.858
247 H GLN 34 H GLN 34 36.228 -6.416 -0.930
248 HA GLN 34 HA GLN 34 33.727 -6.279 -0.039
249 HB2 GLN 34 HB2 GLN 34 34.467 -6.416 -2.438
250 HB3 GLN 34 HB3 GLN 34 34.370 -8.164 -2.289
251 HG2 GLN 34 HG2 GLN 34 32.289 -7.848 -3.063
252 HG3 GLN 34 HG3 GLN 34 31.937 -7.488 -1.369
253 HE21 GLN 34 HE21 GLN 34 32.656 -5.051 -0.893
254 HE22 GLN 34 HE22 GLN 34 31.934 -3.904 -1.980
255 H THR 35 H THR 35 35.657 -9.070 0.539
256 HA THR 35 HA THR 35 34.057 -11.203 0.673
257 HB THR 35 HB THR 35 35.940 -10.157 2.779
258 HG1 THR 35 HG1 THR 35 36.244 -12.466 1.206
259 HG21 THR 35 HG21 THR 35 34.209 -11.684 3.793
260 HG22 THR 35 HG22 THR 35 35.890 -12.189 3.957
261 HG23 THR 35 HG23 THR 35 34.854 -12.952 2.752
262 H LYS 36 H LYS 36 33.791 -8.354 2.736
263 HA LYS 36 HA LYS 36 31.468 -9.540 4.081
264 HB2 LYS 36 HB2 LYS 36 31.830 -7.046 5.212
265 HB3 LYS 36 HB3 LYS 36 32.405 -8.575 5.870
266 HG2 LYS 36 HG2 LYS 36 33.990 -6.750 4.062
267 HG3 LYS 36 HG3 LYS 36 34.142 -6.844 5.818
268 HD2 LYS 36 HD2 LYS 36 34.340 -9.473 4.671
269 HD3 LYS 36 HD3 LYS 36 35.495 -8.384 3.900
270 HE2 LYS 36 HE2 LYS 36 36.564 -7.900 5.922
271 HE3 LYS 36 HE3 LYS 36 35.212 -8.497 6.883
272 HZ1 LYS 36 HZ1 LYS 36 35.954 -10.595 6.765
273 HZ2 LYS 36 HZ2 LYS 36 37.443 -9.889 6.381
274 HZ3 LYS 36 HZ3 LYS 36 36.437 -10.462 5.148
275 H ASN 37 H ASN 37 32.327 -7.173 1.727
276 HA ASN 37 HA ASN 37 30.904 -6.245 0.163
277 HB2 ASN 37 HB2 ASN 37 28.665 -6.545 2.186
278 HB3 ASN 37 HB3 ASN 37 28.512 -6.065 0.496
279 HD21 ASN 37 HD21 ASN 37 28.651 -8.659 2.685
280 HD22 ASN 37 HD22 ASN 37 28.607 -9.948 1.520
281 H TYR 38 H TYR 38 32.527 -5.142 2.287
282 HA TYR 38 HA TYR 38 31.301 -2.513 2.345
283 HD1 TYR 38 HD1 TYR 38 33.985 -4.743 3.384
284 HD2 TYR 38 HD2 TYR 38 32.879 -2.337 6.714
285 HE1 TYR 38 HE1 TYR 38 36.081 -5.351 4.513
286 HE2 TYR 38 HE2 TYR 38 34.974 -2.936 7.851
287 HH TYR 38 HH TYR 38 36.851 -4.119 7.758
288 HB2 TYR 38 HB2 TYR 38 31.722 -2.126 4.597
289 HB3 TYR 38 HB3 TYR 38 31.229 -3.815 4.593
290 H ASP 39 H ASP 39 32.926 -3.085 0.378
291 HA ASP 39 HA ASP 39 35.559 -2.005 1.120
292 HB2 ASP 39 HB2 ASP 39 35.391 -4.283 -0.050
293 HB3 ASP 39 HB3 ASP 39 34.958 -3.370 -1.495
294 H ILE 40 H ILE 40 36.570 -0.573 -0.446
295 HA ILE 40 HA ILE 40 36.616 1.233 -1.851
296 HB ILE 40 HB ILE 40 34.164 -0.120 -2.710
297 HG12 ILE 40 HG12 ILE 40 35.056 0.509 -4.938
298 HG13 ILE 40 HG13 ILE 40 36.318 1.450 -4.133
299 HG21 ILE 40 HG21 ILE 40 33.440 1.917 -4.077
300 HG22 ILE 40 HG22 ILE 40 34.313 2.868 -2.875
301 HG23 ILE 40 HG23 ILE 40 32.960 1.849 -2.381
302 HD11 ILE 40 HD11 ILE 40 37.111 -0.626 -3.056
303 HD12 ILE 40 HD12 ILE 40 37.205 -0.671 -4.816
304 HD13 ILE 40 HD13 ILE 40 35.911 -1.529 -3.982
305 H GLY 41 H GLY 41 33.427 0.986 -0.220
306 HA2 GLY 41 HA2 GLY 41 33.046 3.701 0.236
307 HA3 GLY 41 HA3 GLY 41 32.441 2.426 1.294
308 H ALA 42 H ALA 42 34.707 1.304 2.163
309 HA ALA 42 HA ALA 42 35.764 3.331 3.970
310 HB1 ALA 42 HB1 ALA 42 36.783 1.274 5.083
311 HB2 ALA 42 HB2 ALA 42 35.821 0.321 3.951
312 HB3 ALA 42 HB3 ALA 42 35.025 1.399 5.100
313 H ALA 43 H ALA 43 37.136 0.604 2.129
314 HA ALA 43 HA ALA 43 39.794 1.201 2.279
315 HB1 ALA 43 HB1 ALA 43 40.077 -0.413 0.736
316 HB2 ALA 43 HB2 ALA 43 38.932 0.315 -0.390
317 HB3 ALA 43 HB3 ALA 43 38.346 -0.657 0.960
318 H LEU 44 H LEU 44 37.768 2.139 -0.501
319 HA LEU 44 HA LEU 44 39.484 3.676 -1.916
320 HG LEU 44 HG LEU 44 38.592 5.428 -3.310
321 HB2 LEU 44 HB2 LEU 44 36.942 3.240 -2.258
322 HB3 LEU 44 HB3 LEU 44 36.740 4.765 -1.399
323 HD11 LEU 44 HD11 LEU 44 37.417 2.999 -4.169
324 HD12 LEU 44 HD12 LEU 44 38.531 4.052 -5.042
325 HD13 LEU 44 HD13 LEU 44 36.790 4.296 -5.188
326 HD21 LEU 44 HD21 LEU 44 37.053 7.010 -3.511
327 HD22 LEU 44 HD22 LEU 44 35.885 6.005 -2.654
328 HD23 LEU 44 HD23 LEU 44 36.026 5.891 -4.407
329 H ASP 45 H ASP 45 37.561 4.866 0.835
330 HA ASP 45 HA ASP 45 38.179 7.469 0.969
331 HB2 ASP 45 HB2 ASP 45 37.493 5.459 2.894
332 HB3 ASP 45 HB3 ASP 45 38.682 6.548 3.601
333 H THR 46 H THR 46 40.475 4.864 1.394
334 HA THR 46 HA THR 46 42.514 6.628 2.413
335 HB THR 46 HB THR 46 43.848 4.741 2.744
336 HG1 THR 46 HG1 THR 46 43.732 2.927 1.520
337 HG21 THR 46 HG21 THR 46 41.015 4.307 3.238
338 HG22 THR 46 HG22 THR 46 42.409 4.026 4.280
339 HG23 THR 46 HG23 THR 46 41.941 2.814 3.088
340 H ILE 47 H ILE 47 42.435 4.494 -0.439
341 HA ILE 47 HA ILE 47 44.553 5.911 -1.711
342 HB ILE 47 HB ILE 47 43.900 4.654 -3.738
343 HG12 ILE 47 HG12 ILE 47 41.581 3.859 -1.982
344 HG13 ILE 47 HG13 ILE 47 41.535 4.536 -3.606
345 HG21 ILE 47 HG21 ILE 47 45.300 3.209 -2.789
346 HG22 ILE 47 HG22 ILE 47 43.879 2.340 -2.209
347 HG23 ILE 47 HG23 ILE 47 44.661 3.539 -1.181
348 HD11 ILE 47 HD11 ILE 47 41.115 2.411 -4.177
349 HD12 ILE 47 HD12 ILE 47 41.862 1.758 -2.720
350 HD13 ILE 47 HD13 ILE 47 42.870 2.250 -4.081
351 H GLN 48 H GLN 48 41.425 6.757 -1.052
352 HA GLN 48 HA GLN 48 41.461 8.871 -3.080
353 HB2 GLN 48 HB2 GLN 48 39.975 6.782 -3.687
354 HB3 GLN 48 HB3 GLN 48 38.862 7.490 -2.525
355 HG2 GLN 48 HG2 GLN 48 38.400 8.119 -4.868
356 HG3 GLN 48 HG3 GLN 48 38.691 9.496 -3.808
357 HE21 GLN 48 HE21 GLN 48 40.871 7.259 -5.498
358 HE22 GLN 48 HE22 GLN 48 41.746 8.493 -6.348
359 H TYR 49 H TYR 49 41.407 10.708 -1.936
360 HA TYR 49 HA TYR 49 39.392 11.036 0.121
361 HD1 TYR 49 HD1 TYR 49 42.426 9.060 -0.312
362 HD2 TYR 49 HD2 TYR 49 43.494 12.777 1.458
363 HE1 TYR 49 HE1 TYR 49 44.768 8.669 -0.937
364 HE2 TYR 49 HE2 TYR 49 45.843 12.399 0.840
365 HH TYR 49 HH TYR 49 47.254 11.120 -0.354
366 HB2 TYR 49 HB2 TYR 49 41.303 12.104 1.575
367 HB3 TYR 49 HB3 TYR 49 41.023 10.361 1.625
368 H SER 50 H SER 50 42.296 12.590 -1.241
369 HA SER 50 HA SER 50 40.730 14.759 -2.306
370 HG SER 50 HG SER 50 41.330 15.684 1.277
371 HB2 SER 50 HB2 SER 50 42.843 15.694 -0.422
372 HB3 SER 50 HB3 SER 50 41.339 16.478 -0.906
373 H LYS 51 H LYS 51 41.572 14.686 -4.287
374 HA LYS 51 HA LYS 51 44.409 14.252 -4.702
375 HB2 LYS 51 HB2 LYS 51 41.983 14.317 -6.429
376 HB3 LYS 51 HB3 LYS 51 43.537 14.641 -7.183
377 HG2 LYS 51 HG2 LYS 51 43.401 12.267 -5.438
378 HG3 LYS 51 HG3 LYS 51 42.494 12.192 -6.950
379 HD2 LYS 51 HD2 LYS 51 44.621 12.970 -8.096
380 HD3 LYS 51 HD3 LYS 51 45.445 12.646 -6.568
381 HE2 LYS 51 HE2 LYS 51 45.748 10.608 -7.497
382 HE3 LYS 51 HE3 LYS 51 44.124 10.330 -6.868
383 HZ1 LYS 51 HZ1 LYS 51 45.007 10.722 -9.625
384 HZ2 LYS 51 HZ2 LYS 51 43.490 11.339 -9.202
385 HZ3 LYS 51 HZ3 LYS 51 43.815 9.691 -9.007
386 H HIS 52 H HIS 52 43.705 16.707 -3.377
387 HA HIS 52 HA HIS 52 45.135 18.532 -5.091
388 HD1 HIS 52 HD1 HIS 52 43.897 21.966 -4.469
389 HD2 HIS 52 HD2 HIS 52 43.446 19.587 -7.846
390 HE1 HIS 52 HE1 HIS 52 44.468 23.430 -6.451
391 HB2 HIS 52 HB2 HIS 52 42.476 18.620 -5.457
392 HB3 HIS 52 HB3 HIS 52 42.603 19.707 -4.074
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 33.531 7.172 8.556
2 H2 GLY 1 2H GLY 1 33.190 8.822 8.409
3 H3 GLY 1 3H GLY 1 32.513 7.928 9.677
4 HA2 GLY 1 HA2 GLY 1 35.378 8.607 9.300
5 HA3 GLY 1 HA3 GLY 1 34.307 9.232 10.545
6 H SER 2 H SER 2 33.235 7.433 11.895
7 HA SER 2 HA SER 2 35.336 5.492 12.598
8 HG SER 2 HG SER 2 35.366 7.314 15.371
9 HB2 SER 2 HB2 SER 2 33.597 7.235 14.194
10 HB3 SER 2 HB3 SER 2 33.643 5.567 14.766
11 HA PRO 3 HA PRO 3 31.959 2.753 11.259
12 HB2 PRO 3 HB2 PRO 3 33.406 1.121 9.751
13 HB3 PRO 3 HB3 PRO 3 33.030 2.756 9.191
14 HG2 PRO 3 HG2 PRO 3 35.561 1.695 10.371
15 HG3 PRO 3 HG3 PRO 3 35.344 2.830 9.028
16 HD2 PRO 3 HD2 PRO 3 35.912 3.525 11.670
17 HD3 PRO 3 HD3 PRO 3 35.261 4.619 10.434
18 HA PRO 4 HA PRO 4 32.287 -0.657 14.028
19 HB2 PRO 4 HB2 PRO 4 31.988 -2.561 11.768
20 HB3 PRO 4 HB3 PRO 4 31.005 -2.376 13.225
21 HG2 PRO 4 HG2 PRO 4 30.105 -1.534 10.865
22 HG3 PRO 4 HG3 PRO 4 29.792 -0.605 12.344
23 HD2 PRO 4 HD2 PRO 4 31.791 -0.100 10.173
24 HD3 PRO 4 HD3 PRO 4 30.789 1.057 11.076
25 H GLU 5 H GLU 5 34.670 -0.064 14.111
26 HA GLU 5 HA GLU 5 36.834 -0.729 14.307
27 HB2 GLU 5 HB2 GLU 5 35.255 -3.132 14.457
28 HB3 GLU 5 HB3 GLU 5 36.802 -3.471 13.692
29 HG2 GLU 5 HG2 GLU 5 36.736 -1.884 16.213
30 HG3 GLU 5 HG3 GLU 5 36.528 -3.634 16.281
31 H ALA 6 H ALA 6 35.378 -0.471 11.486
32 HA ALA 6 HA ALA 6 36.817 -1.938 9.622
33 HB1 ALA 6 HB1 ALA 6 36.307 0.751 8.691
34 HB2 ALA 6 HB2 ALA 6 34.912 0.056 9.516
35 HB3 ALA 6 HB3 ALA 6 35.628 -0.781 8.140
36 H ASP 7 H ASP 7 37.362 1.484 10.051
37 HA ASP 7 HA ASP 7 39.448 2.367 9.042
38 HB2 ASP 7 HB2 ASP 7 38.692 2.502 11.811
39 HB3 ASP 7 HB3 ASP 7 40.445 2.579 11.668
40 HA PRO 8 HA PRO 8 43.105 -0.099 11.047
41 HB2 PRO 8 HB2 PRO 8 42.296 -2.276 12.561
42 HB3 PRO 8 HB3 PRO 8 42.807 -0.720 13.222
43 HG2 PRO 8 HG2 PRO 8 40.047 -1.760 12.733
44 HG3 PRO 8 HG3 PRO 8 40.663 -0.812 14.101
45 HD2 PRO 8 HD2 PRO 8 39.214 0.332 12.166
46 HD3 PRO 8 HD3 PRO 8 40.585 1.183 12.910
47 H ARG 9 H ARG 9 40.464 -2.477 10.994
48 HA ARG 9 HA ARG 9 41.736 -4.403 9.477
49 HE ARG 9 HE ARG 9 37.226 -5.906 11.089
50 HB2 ARG 9 HB2 ARG 9 38.868 -3.721 9.960
51 HB3 ARG 9 HB3 ARG 9 39.257 -4.936 8.751
52 HG2 ARG 9 HG2 ARG 9 40.782 -5.715 10.891
53 HG3 ARG 9 HG3 ARG 9 39.321 -5.094 11.657
54 HD2 ARG 9 HD2 ARG 9 38.984 -6.876 9.311
55 HD3 ARG 9 HD3 ARG 9 39.539 -7.611 10.819
56 HH11 ARG 9 HH11 ARG 9 38.376 -9.141 10.484
57 HH12 ARG 9 HH12 ARG 9 36.906 -9.896 11.005
58 HH21 ARG 9 HH21 ARG 9 35.291 -6.895 11.779
59 HH22 ARG 9 HH22 ARG 9 35.155 -8.621 11.741
60 H LEU 10 H LEU 10 39.706 -1.699 8.353
61 HA LEU 10 HA LEU 10 39.979 -2.405 5.596
62 HG LEU 10 HG LEU 10 37.202 -1.605 5.352
63 HB2 LEU 10 HB2 LEU 10 38.365 -0.680 7.092
64 HB3 LEU 10 HB3 LEU 10 39.305 0.376 6.043
65 HD11 LEU 10 HD11 LEU 10 36.860 0.864 5.409
66 HD12 LEU 10 HD12 LEU 10 36.478 0.104 3.863
67 HD13 LEU 10 HD13 LEU 10 37.989 0.993 4.061
68 HD21 LEU 10 HD21 LEU 10 39.761 -1.429 3.964
69 HD22 LEU 10 HD22 LEU 10 38.369 -1.139 2.920
70 HD23 LEU 10 HD23 LEU 10 38.483 -2.638 3.841
71 H ILE 11 H ILE 11 41.869 -0.587 7.836
72 HA ILE 11 HA ILE 11 43.192 1.126 6.024
73 HB ILE 11 HB ILE 11 43.651 0.252 8.808
74 HG12 ILE 11 HG12 ILE 11 43.917 2.873 7.320
75 HG13 ILE 11 HG13 ILE 11 42.531 2.346 8.280
76 HG21 ILE 11 HG21 ILE 11 45.838 -0.304 8.116
77 HG22 ILE 11 HG22 ILE 11 45.958 1.322 8.788
78 HG23 ILE 11 HG23 ILE 11 45.937 1.089 7.039
79 HD11 ILE 11 HD11 ILE 11 45.061 2.352 9.741
80 HD12 ILE 11 HD12 ILE 11 43.478 2.984 10.196
81 HD13 ILE 11 HD13 ILE 11 44.545 3.938 9.166
82 H GLU 12 H GLU 12 44.178 -2.050 7.357
83 HA GLU 12 HA GLU 12 46.472 -2.252 5.705
84 HB2 GLU 12 HB2 GLU 12 45.008 -4.664 6.729
85 HB3 GLU 12 HB3 GLU 12 46.740 -4.416 6.554
86 HG2 GLU 12 HG2 GLU 12 45.957 -2.486 8.378
87 HG3 GLU 12 HG3 GLU 12 45.014 -3.909 8.812
88 H SER 13 H SER 13 43.150 -3.283 5.437
89 HA SER 13 HA SER 13 43.444 -4.719 3.003
90 HG SER 13 HG SER 13 41.684 -4.470 5.665
91 HB2 SER 13 HB2 SER 13 40.930 -3.291 3.886
92 HB3 SER 13 HB3 SER 13 41.066 -4.754 2.910
93 H LEU 14 H LEU 14 43.712 -1.467 3.808
94 HA LEU 14 HA LEU 14 42.849 -0.476 1.206
95 HG LEU 14 HG LEU 14 41.734 1.988 1.719
96 HB2 LEU 14 HB2 LEU 14 43.385 0.693 3.852
97 HB3 LEU 14 HB3 LEU 14 43.900 1.682 2.489
98 HD11 LEU 14 HD11 LEU 14 41.353 -0.696 2.648
99 HD12 LEU 14 HD12 LEU 14 40.401 0.230 1.489
100 HD13 LEU 14 HD13 LEU 14 40.034 0.327 3.212
101 HD21 LEU 14 HD21 LEU 14 41.075 1.677 4.621
102 HD22 LEU 14 HD22 LEU 14 40.581 2.937 3.490
103 HD23 LEU 14 HD23 LEU 14 42.238 2.892 4.091
104 H SER 15 H SER 15 45.777 -0.966 3.106
105 HA SER 15 HA SER 15 47.619 0.409 1.554
106 HG SER 15 HG SER 15 47.043 -2.573 3.487
107 HB2 SER 15 HB2 SER 15 49.286 -1.266 2.343
108 HB3 SER 15 HB3 SER 15 48.264 -0.674 3.652
109 H GLN 16 H GLN 16 45.820 -2.389 0.983
110 HA GLN 16 HA GLN 16 47.200 -3.751 -1.004
111 HB2 GLN 16 HB2 GLN 16 44.638 -3.868 0.088
112 HB3 GLN 16 HB3 GLN 16 44.361 -3.555 -1.620
113 HG2 GLN 16 HG2 GLN 16 46.233 -5.514 -1.737
114 HG3 GLN 16 HG3 GLN 16 45.353 -5.957 -0.276
115 HE21 GLN 16 HE21 GLN 16 44.307 -7.716 -1.035
116 HE22 GLN 16 HE22 GLN 16 43.130 -7.674 -2.308
117 H MET 17 H MET 17 45.090 -0.928 -1.262
118 HA MET 17 HA MET 17 45.830 -0.633 -4.083
119 HB2 MET 17 HB2 MET 17 44.003 1.046 -4.173
120 HB3 MET 17 HB3 MET 17 43.460 -0.565 -3.733
121 HG2 MET 17 HG2 MET 17 43.628 0.244 -1.312
122 HG3 MET 17 HG3 MET 17 43.709 1.867 -2.007
123 HE1 MET 17 HE1 MET 17 40.600 1.821 -4.279
124 HE2 MET 17 HE2 MET 17 42.283 2.310 -4.075
125 HE3 MET 17 HE3 MET 17 41.021 3.065 -3.100
126 H LEU 18 H LEU 18 45.605 1.305 -1.076
127 HA LEU 18 HA LEU 18 46.767 3.630 -2.038
128 HG LEU 18 HG LEU 18 46.361 5.010 1.308
129 HB2 LEU 18 HB2 LEU 18 45.658 2.904 0.291
130 HB3 LEU 18 HB3 LEU 18 47.355 2.853 0.758
131 HD11 LEU 18 HD11 LEU 18 48.107 6.325 0.576
132 HD12 LEU 18 HD12 LEU 18 48.138 5.578 -1.022
133 HD13 LEU 18 HD13 LEU 18 48.768 4.703 0.373
134 HD21 LEU 18 HD21 LEU 18 45.572 4.943 -1.569
135 HD22 LEU 18 HD22 LEU 18 45.873 6.493 -0.783
136 HD23 LEU 18 HD23 LEU 18 44.630 5.411 -0.153
137 H SER 19 H SER 19 48.263 0.662 -1.817
138 HA SER 19 HA SER 19 50.853 1.505 -0.957
139 HG SER 19 HG SER 19 52.143 -1.535 -2.145
140 HB2 SER 19 HB2 SER 19 50.803 -0.759 -0.715
141 HB3 SER 19 HB3 SER 19 49.642 -0.970 -2.025
142 H MET 20 H MET 20 49.042 1.790 -3.842
143 HA MET 20 HA MET 20 51.479 2.512 -5.328
144 HB2 MET 20 HB2 MET 20 50.630 1.624 -7.271
145 HB3 MET 20 HB3 MET 20 49.935 0.520 -6.092
146 HG2 MET 20 HG2 MET 20 47.892 2.059 -6.128
147 HG3 MET 20 HG3 MET 20 48.602 2.744 -7.596
148 HE1 MET 20 HE1 MET 20 46.515 0.278 -5.974
149 HE2 MET 20 HE2 MET 20 47.690 -1.029 -6.132
150 HE3 MET 20 HE3 MET 20 46.226 -1.033 -7.117
151 H GLY 21 H GLY 21 49.643 4.112 -3.519
152 HA2 GLY 21 HA2 GLY 21 48.984 6.317 -3.505
153 HA3 GLY 21 HA3 GLY 21 49.558 6.447 -5.163
154 H PHE 22 H PHE 22 47.050 4.396 -3.696
155 HA PHE 22 HA PHE 22 44.908 3.968 -4.276
156 HD1 PHE 22 HD2 PHE 22 42.683 6.302 -6.274
157 HD2 PHE 22 HD1 PHE 22 46.069 8.228 -4.576
158 HE1 PHE 22 HE2 PHE 22 42.476 8.104 -7.936
159 HE2 PHE 22 HE1 PHE 22 45.870 10.046 -6.234
160 HZ PHE 22 HZ PHE 22 44.070 9.977 -7.915
161 HB2 PHE 22 HB2 PHE 22 43.499 5.749 -4.040
162 HB3 PHE 22 HB3 PHE 22 44.978 6.472 -3.422
163 H SER 23 H SER 23 43.701 3.280 -5.967
164 HA SER 23 HA SER 23 43.371 4.328 -8.445
165 HG SER 23 HG SER 23 44.702 2.271 -10.358
166 HB2 SER 23 HB2 SER 23 45.342 4.219 -9.504
167 HB3 SER 23 HB3 SER 23 46.079 3.372 -8.142
168 H ASP 24 H ASP 24 41.406 3.245 -7.980
169 HA ASP 24 HA ASP 24 41.245 0.478 -7.532
170 HB2 ASP 24 HB2 ASP 24 38.822 0.772 -8.183
171 HB3 ASP 24 HB3 ASP 24 39.389 1.848 -6.901
172 H GLU 25 H GLU 25 42.129 -0.876 -8.886
173 HA GLU 25 HA GLU 25 42.360 -0.583 -11.664
174 HB2 GLU 25 HB2 GLU 25 42.303 -3.239 -10.244
175 HB3 GLU 25 HB3 GLU 25 43.206 -2.794 -11.682
176 HG2 GLU 25 HG2 GLU 25 44.512 -1.201 -10.246
177 HG3 GLU 25 HG3 GLU 25 43.729 -1.944 -8.851
178 H GLY 26 H GLY 26 39.935 -2.222 -9.680
179 HA2 GLY 26 HA2 GLY 26 37.642 -1.975 -10.764
180 HA3 GLY 26 HA3 GLY 26 38.394 -2.790 -12.137
181 H GLY 27 H GLY 27 38.881 -3.503 -8.711
182 HA2 GLY 27 HA2 GLY 27 37.277 -5.340 -7.863
183 HA3 GLY 27 HA3 GLY 27 37.918 -6.232 -9.236
184 H TRP 28 H TRP 28 40.548 -4.839 -8.784
185 HA TRP 28 HA TRP 28 41.982 -6.801 -7.625
186 HD1 TRP 28 HD1 TRP 28 45.096 -3.484 -6.599
187 HE1 TRP 28 HE1 TRP 28 44.527 -1.275 -5.423
188 HE3 TRP 28 HE3 TRP 28 40.041 -3.428 -7.341
189 HZ2 TRP 28 HZ2 TRP 28 42.242 0.288 -4.877
190 HZ3 TRP 28 HZ3 TRP 28 38.737 -1.539 -6.468
191 HH2 TRP 28 HH2 TRP 28 39.821 0.282 -5.253
192 HB2 TRP 28 HB2 TRP 28 43.801 -5.386 -7.629
193 HB3 TRP 28 HB3 TRP 28 42.724 -4.609 -8.787
194 H LEU 29 H LEU 29 39.959 -4.602 -5.891
195 HA LEU 29 HA LEU 29 41.047 -5.606 -3.351
196 HG LEU 29 HG LEU 29 41.624 -4.240 -1.849
197 HB2 LEU 29 HB2 LEU 29 40.498 -2.970 -4.194
198 HB3 LEU 29 HB3 LEU 29 39.235 -3.385 -3.038
199 HD11 LEU 29 HD11 LEU 29 41.946 -1.660 -3.340
200 HD12 LEU 29 HD12 LEU 29 43.065 -3.018 -3.207
201 HD13 LEU 29 HD13 LEU 29 42.802 -1.953 -1.826
202 HD21 LEU 29 HD21 LEU 29 39.428 -3.018 -1.044
203 HD22 LEU 29 HD22 LEU 29 40.453 -1.589 -1.185
204 HD23 LEU 29 HD23 LEU 29 40.930 -2.915 -0.123
205 H THR 30 H THR 30 38.120 -4.748 -5.111
206 HA THR 30 HA THR 30 36.099 -5.458 -3.460
207 HB THR 30 HB THR 30 36.302 -6.240 -6.377
208 HG1 THR 30 HG1 THR 30 35.426 -3.841 -5.151
209 HG21 THR 30 HG21 THR 30 33.726 -5.450 -5.918
210 HG22 THR 30 HG22 THR 30 34.111 -6.383 -4.471
211 HG23 THR 30 HG23 THR 30 34.284 -7.116 -6.065
212 H ARG 31 H ARG 31 38.427 -7.557 -4.919
213 HA ARG 31 HA ARG 31 37.173 -10.032 -4.742
214 HE ARG 31 HE ARG 31 41.457 -11.138 -7.080
215 HB2 ARG 31 HB2 ARG 31 40.087 -9.370 -4.275
216 HB3 ARG 31 HB3 ARG 31 39.453 -10.986 -4.553
217 HG2 ARG 31 HG2 ARG 31 38.666 -9.081 -6.609
218 HG3 ARG 31 HG3 ARG 31 40.414 -9.285 -6.472
219 HD2 ARG 31 HD2 ARG 31 38.694 -11.714 -6.475
220 HD3 ARG 31 HD3 ARG 31 38.956 -10.866 -8.002
221 HH11 ARG 31 HH11 ARG 31 38.834 -13.407 -7.379
222 HH12 ARG 31 HH12 ARG 31 39.872 -14.772 -7.623
223 HH21 ARG 31 HH21 ARG 31 42.832 -12.922 -7.397
224 HH22 ARG 31 HH22 ARG 31 42.148 -14.495 -7.635
225 H LEU 32 H LEU 32 39.329 -8.535 -2.328
226 HA LEU 32 HA LEU 32 38.345 -10.405 -0.326
227 HG LEU 32 HG LEU 32 40.425 -7.227 -0.250
228 HB2 LEU 32 HB2 LEU 32 40.269 -10.038 0.836
229 HB3 LEU 32 HB3 LEU 32 40.819 -9.663 -0.785
230 HD11 LEU 32 HD11 LEU 32 40.725 -7.451 2.569
231 HD12 LEU 32 HD12 LEU 32 39.281 -8.340 2.086
232 HD13 LEU 32 HD13 LEU 32 39.455 -6.639 1.655
233 HD21 LEU 32 HD21 LEU 32 42.416 -7.801 1.707
234 HD22 LEU 32 HD22 LEU 32 42.615 -7.217 0.056
235 HD23 LEU 32 HD23 LEU 32 42.560 -8.950 0.377
236 H LEU 33 H LEU 33 38.728 -6.850 -0.621
237 HA LEU 33 HA LEU 33 37.488 -6.112 1.709
238 HG LEU 33 HG LEU 33 37.089 -3.753 1.943
239 HB2 LEU 33 HB2 LEU 33 38.680 -4.831 -0.349
240 HB3 LEU 33 HB3 LEU 33 37.005 -4.370 -0.611
241 HD11 LEU 33 HD11 LEU 33 39.603 -2.704 2.013
242 HD12 LEU 33 HD12 LEU 33 39.883 -4.273 1.260
243 HD13 LEU 33 HD13 LEU 33 39.095 -4.179 2.836
244 HD21 LEU 33 HD21 LEU 33 36.981 -2.318 -0.272
245 HD22 LEU 33 HD22 LEU 33 38.605 -1.853 0.231
246 HD23 LEU 33 HD23 LEU 33 37.233 -1.568 1.303
247 H GLN 34 H GLN 34 35.888 -7.779 -0.721
248 HA GLN 34 HA GLN 34 33.376 -6.386 -0.169
249 HB2 GLN 34 HB2 GLN 34 34.093 -7.030 -2.562
250 HB3 GLN 34 HB3 GLN 34 33.604 -8.660 -2.108
251 HG2 GLN 34 HG2 GLN 34 31.831 -7.427 -3.281
252 HG3 GLN 34 HG3 GLN 34 31.359 -7.913 -1.647
253 HE21 GLN 34 HE21 GLN 34 31.531 -6.242 0.053
254 HE22 GLN 34 HE22 GLN 34 31.229 -4.586 -0.389
255 H THR 35 H THR 35 35.144 -8.943 0.970
256 HA THR 35 HA THR 35 33.126 -10.865 1.472
257 HB THR 35 HB THR 35 35.591 -11.297 1.495
258 HG1 THR 35 HG1 THR 35 34.536 -12.087 3.972
259 HG21 THR 35 HG21 THR 35 36.983 -10.720 3.223
260 HG22 THR 35 HG22 THR 35 35.652 -10.419 4.339
261 HG23 THR 35 HG23 THR 35 36.006 -9.261 3.058
262 H LYS 36 H LYS 36 33.399 -7.816 2.705
263 HA LYS 36 HA LYS 36 32.010 -8.606 5.191
264 HB2 LYS 36 HB2 LYS 36 34.156 -7.704 5.776
265 HB3 LYS 36 HB3 LYS 36 33.922 -6.320 4.716
266 HG2 LYS 36 HG2 LYS 36 31.806 -5.997 6.315
267 HG3 LYS 36 HG3 LYS 36 32.892 -6.822 7.434
268 HD2 LYS 36 HD2 LYS 36 34.620 -5.076 6.500
269 HD3 LYS 36 HD3 LYS 36 33.154 -4.173 6.110
270 HE2 LYS 36 HE2 LYS 36 33.731 -3.418 8.247
271 HE3 LYS 36 HE3 LYS 36 32.473 -4.617 8.543
272 HZ1 LYS 36 HZ1 LYS 36 33.878 -5.896 9.674
273 HZ2 LYS 36 HZ2 LYS 36 34.928 -4.569 9.708
274 HZ3 LYS 36 HZ3 LYS 36 35.102 -5.755 8.514
275 H ASN 37 H ASN 37 32.009 -6.596 2.381
276 HA ASN 37 HA ASN 37 30.136 -5.597 1.430
277 HB2 ASN 37 HB2 ASN 37 28.943 -5.298 4.192
278 HB3 ASN 37 HB3 ASN 37 28.123 -5.183 2.631
279 HD21 ASN 37 HD21 ASN 37 29.156 -7.432 1.384
280 HD22 ASN 37 HD22 ASN 37 28.560 -8.849 2.197
281 H TYR 38 H TYR 38 32.565 -4.651 2.228
282 HA TYR 38 HA TYR 38 31.975 -1.853 2.529
283 HD1 TYR 38 HD2 TYR 38 34.289 -4.520 2.753
284 HD2 TYR 38 HD1 TYR 38 34.958 -2.181 6.230
285 HE1 TYR 38 HE2 TYR 38 36.311 -5.833 3.227
286 HE2 TYR 38 HE1 TYR 38 36.984 -3.485 6.724
287 HH TYR 38 HH TYR 38 38.678 -4.906 5.169
288 HB2 TYR 38 HB2 TYR 38 33.455 -1.419 4.336
289 HB3 TYR 38 HB3 TYR 38 32.461 -2.778 4.845
290 H ASP 39 H ASP 39 32.595 -3.096 0.286
291 HA ASP 39 HA ASP 39 35.363 -3.228 -0.319
292 HB2 ASP 39 HB2 ASP 39 34.688 -3.613 -2.574
293 HB3 ASP 39 HB3 ASP 39 33.502 -4.424 -1.550
294 H ILE 40 H ILE 40 36.381 -1.888 -1.973
295 HA ILE 40 HA ILE 40 37.150 0.497 -1.501
296 HB ILE 40 HB ILE 40 37.028 1.194 -3.915
297 HG12 ILE 40 HG12 ILE 40 35.664 -1.499 -4.184
298 HG13 ILE 40 HG13 ILE 40 34.898 0.069 -4.457
299 HG21 ILE 40 HG21 ILE 40 38.992 0.138 -3.583
300 HG22 ILE 40 HG22 ILE 40 38.242 -1.132 -4.550
301 HG23 ILE 40 HG23 ILE 40 38.235 -1.243 -2.791
302 HD11 ILE 40 HD11 ILE 40 35.674 0.174 -6.534
303 HD12 ILE 40 HD12 ILE 40 36.119 -1.523 -6.347
304 HD13 ILE 40 HD13 ILE 40 37.308 -0.258 -6.029
305 H GLY 41 H GLY 41 33.830 0.063 -2.698
306 HA2 GLY 41 HA2 GLY 41 33.090 2.743 -2.974
307 HA3 GLY 41 HA3 GLY 41 31.988 1.447 -2.501
308 H ALA 42 H ALA 42 33.963 1.012 -0.226
309 HA ALA 42 HA ALA 42 32.760 2.929 1.634
310 HB1 ALA 42 HB1 ALA 42 33.211 0.143 1.793
311 HB2 ALA 42 HB2 ALA 42 32.552 1.204 3.038
312 HB3 ALA 42 HB3 ALA 42 34.287 0.899 2.969
313 H ALA 43 H ALA 43 35.882 1.257 1.227
314 HA ALA 43 HA ALA 43 37.323 3.212 2.701
315 HB1 ALA 43 HB1 ALA 43 38.923 1.600 0.876
316 HB2 ALA 43 HB2 ALA 43 37.817 0.648 1.868
317 HB3 ALA 43 HB3 ALA 43 38.983 1.728 2.634
318 H LEU 44 H LEU 44 37.136 2.502 -0.792
319 HA LEU 44 HA LEU 44 38.896 4.109 -1.956
320 HG LEU 44 HG LEU 44 37.044 5.671 -4.214
321 HB2 LEU 44 HB2 LEU 44 37.050 2.880 -3.114
322 HB3 LEU 44 HB3 LEU 44 35.978 4.220 -2.723
323 HD11 LEU 44 HD11 LEU 44 39.209 4.982 -5.360
324 HD12 LEU 44 HD12 LEU 44 39.357 3.760 -4.098
325 HD13 LEU 44 HD13 LEU 44 39.319 5.470 -3.670
326 HD21 LEU 44 HD21 LEU 44 35.741 3.972 -5.366
327 HD22 LEU 44 HD22 LEU 44 37.159 2.929 -5.465
328 HD23 LEU 44 HD23 LEU 44 37.125 4.459 -6.342
329 H ASP 45 H ASP 45 35.790 5.369 -0.714
330 HA ASP 45 HA ASP 45 35.891 7.977 -1.283
331 HB2 ASP 45 HB2 ASP 45 34.484 6.519 0.524
332 HB3 ASP 45 HB3 ASP 45 35.441 7.524 1.605
333 H THR 46 H THR 46 38.076 6.320 0.898
334 HA THR 46 HA THR 46 39.324 8.844 1.646
335 HB THR 46 HB THR 46 40.439 7.706 3.362
336 HG1 THR 46 HG1 THR 46 39.834 5.150 2.419
337 HG21 THR 46 HG21 THR 46 37.950 6.053 3.034
338 HG22 THR 46 HG22 THR 46 38.002 7.668 3.742
339 HG23 THR 46 HG23 THR 46 38.857 6.337 4.520
340 H ILE 47 H ILE 47 40.136 5.839 -0.013
341 HA ILE 47 HA ILE 47 42.809 6.557 -0.638
342 HB ILE 47 HB ILE 47 41.227 4.864 -2.520
343 HG12 ILE 47 HG12 ILE 47 40.285 4.061 -0.492
344 HG13 ILE 47 HG13 ILE 47 41.574 2.934 -0.893
345 HG21 ILE 47 HG21 ILE 47 43.881 5.405 -2.166
346 HG22 ILE 47 HG22 ILE 47 43.230 4.024 -3.047
347 HG23 ILE 47 HG23 ILE 47 43.702 3.850 -1.357
348 HD11 ILE 47 HD11 ILE 47 42.348 5.174 0.841
349 HD12 ILE 47 HD12 ILE 47 42.786 3.468 0.915
350 HD13 ILE 47 HD13 ILE 47 41.226 4.005 1.538
351 H GLN 48 H GLN 48 39.775 7.655 -1.692
352 HA GLN 48 HA GLN 48 40.958 8.872 -4.107
353 HB2 GLN 48 HB2 GLN 48 38.815 7.277 -4.066
354 HB3 GLN 48 HB3 GLN 48 38.011 8.803 -3.723
355 HG2 GLN 48 HG2 GLN 48 37.880 8.872 -5.970
356 HG3 GLN 48 HG3 GLN 48 39.486 9.580 -5.797
357 HE21 GLN 48 HE21 GLN 48 40.612 6.981 -4.970
358 HE22 GLN 48 HE22 GLN 48 40.771 6.063 -6.433
359 H TYR 49 H TYR 49 41.767 10.772 -3.270
360 HA TYR 49 HA TYR 49 39.969 12.480 -1.721
361 HD1 TYR 49 HD1 TYR 49 41.197 12.425 0.836
362 HD2 TYR 49 HD2 TYR 49 44.046 11.031 -1.999
363 HE1 TYR 49 HE1 TYR 49 41.999 10.766 2.463
364 HE2 TYR 49 HE2 TYR 49 44.852 9.365 -0.381
365 HH TYR 49 HH TYR 49 43.284 8.944 2.757
366 HB2 TYR 49 HB2 TYR 49 42.859 13.023 -2.424
367 HB3 TYR 49 HB3 TYR 49 41.891 13.796 -1.165
368 H SER 50 H SER 50 42.406 13.408 -4.141
369 HA SER 50 HA SER 50 42.314 14.787 -5.942
370 HG SER 50 HG SER 50 38.520 14.545 -6.556
371 HB2 SER 50 HB2 SER 50 40.963 13.761 -7.404
372 HB3 SER 50 HB3 SER 50 39.974 13.114 -6.096
373 H LYS 51 H LYS 51 42.450 16.908 -5.753
374 HA LYS 51 HA LYS 51 41.984 19.078 -5.263
375 HB2 LYS 51 HB2 LYS 51 39.790 18.124 -6.573
376 HB3 LYS 51 HB3 LYS 51 39.067 18.710 -5.082
377 HG2 LYS 51 HG2 LYS 51 39.978 20.912 -5.454
378 HG3 LYS 51 HG3 LYS 51 40.833 20.344 -6.889
379 HD2 LYS 51 HD2 LYS 51 39.030 20.654 -8.158
380 HD3 LYS 51 HD3 LYS 51 38.035 19.692 -7.062
381 HE2 LYS 51 HE2 LYS 51 37.844 21.711 -5.600
382 HE3 LYS 51 HE3 LYS 51 38.660 22.633 -6.862
383 HZ1 LYS 51 HZ1 LYS 51 36.030 22.420 -6.705
384 HZ2 LYS 51 HZ2 LYS 51 36.341 21.078 -7.685
385 HZ3 LYS 51 HZ3 LYS 51 36.843 22.616 -8.175
386 H HIS 52 H HIS 52 42.906 18.450 -3.114
387 HA HIS 52 HA HIS 52 41.501 17.753 -0.870
388 HD1 HIS 52 HD1 HIS 52 42.974 16.137 -1.194
389 HD2 HIS 52 HD2 HIS 52 45.185 18.301 1.578
390 HE1 HIS 52 HE1 HIS 52 44.219 14.435 0.204
391 HB2 HIS 52 HB2 HIS 52 43.982 19.224 -1.407
392 HB3 HIS 52 HB3 HIS 52 43.231 19.636 0.136
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 29.795 9.518 8.275
2 H2 GLY 1 2H GLY 1 30.042 10.946 9.148
3 H3 GLY 1 3H GLY 1 29.281 9.627 9.884
4 HA2 GLY 1 HA2 GLY 1 32.123 9.899 9.109
5 HA3 GLY 1 HA3 GLY 1 31.465 9.632 10.716
6 H SER 2 H SER 2 33.467 8.028 9.738
7 HA SER 2 HA SER 2 32.371 5.624 8.598
8 HG SER 2 HG SER 2 36.049 6.857 8.624
9 HB2 SER 2 HB2 SER 2 34.971 5.270 9.824
10 HB3 SER 2 HB3 SER 2 34.516 5.176 8.123
11 HA PRO 3 HA PRO 3 31.529 3.645 12.480
12 HB2 PRO 3 HB2 PRO 3 30.867 1.231 11.538
13 HB3 PRO 3 HB3 PRO 3 29.892 2.657 11.169
14 HG2 PRO 3 HG2 PRO 3 31.739 1.137 9.430
15 HG3 PRO 3 HG3 PRO 3 30.328 2.111 8.992
16 HD2 PRO 3 HD2 PRO 3 33.089 2.872 8.906
17 HD3 PRO 3 HD3 PRO 3 31.675 3.865 8.510
18 HA PRO 4 HA PRO 4 35.253 1.469 13.547
19 HB2 PRO 4 HB2 PRO 4 34.651 0.778 16.044
20 HB3 PRO 4 HB3 PRO 4 34.958 2.462 15.605
21 HG2 PRO 4 HG2 PRO 4 32.363 1.066 16.087
22 HG3 PRO 4 HG3 PRO 4 32.842 2.717 16.512
23 HD2 PRO 4 HD2 PRO 4 31.301 2.025 14.314
24 HD3 PRO 4 HD3 PRO 4 32.217 3.535 14.478
25 H GLU 5 H GLU 5 32.625 0.037 12.577
26 HA GLU 5 HA GLU 5 33.273 -2.634 13.604
27 HB2 GLU 5 HB2 GLU 5 30.873 -1.716 13.629
28 HB3 GLU 5 HB3 GLU 5 30.901 -1.924 11.882
29 HG2 GLU 5 HG2 GLU 5 31.796 -4.351 12.872
30 HG3 GLU 5 HG3 GLU 5 30.505 -3.875 13.975
31 H ALA 6 H ALA 6 34.253 -0.669 11.265
32 HA ALA 6 HA ALA 6 35.443 -2.646 9.678
33 HB1 ALA 6 HB1 ALA 6 34.176 -2.396 7.588
34 HB2 ALA 6 HB2 ALA 6 32.989 -1.405 8.437
35 HB3 ALA 6 HB3 ALA 6 33.198 -3.101 8.875
36 H ASP 7 H ASP 7 36.010 -0.110 10.950
37 HA ASP 7 HA ASP 7 36.540 1.692 8.714
38 HB2 ASP 7 HB2 ASP 7 35.722 2.968 10.457
39 HB3 ASP 7 HB3 ASP 7 36.500 1.983 11.690
40 HA PRO 8 HA PRO 8 41.052 1.248 10.358
41 HB2 PRO 8 HB2 PRO 8 41.461 -0.497 12.428
42 HB3 PRO 8 HB3 PRO 8 41.173 1.233 12.641
43 HG2 PRO 8 HG2 PRO 8 39.258 -1.053 12.889
44 HG3 PRO 8 HG3 PRO 8 39.423 0.389 13.909
45 HD2 PRO 8 HD2 PRO 8 37.488 0.165 12.050
46 HD3 PRO 8 HD3 PRO 8 38.249 1.721 12.433
47 H ARG 9 H ARG 9 39.619 -1.897 11.261
48 HA ARG 9 HA ARG 9 41.526 -3.501 10.036
49 HE ARG 9 HE ARG 9 40.332 -2.348 13.688
50 HB2 ARG 9 HB2 ARG 9 38.627 -4.291 10.150
51 HB3 ARG 9 HB3 ARG 9 40.049 -5.307 10.337
52 HG2 ARG 9 HG2 ARG 9 38.983 -3.292 12.302
53 HG3 ARG 9 HG3 ARG 9 39.003 -5.049 12.469
54 HD2 ARG 9 HD2 ARG 9 41.134 -5.077 13.155
55 HD3 ARG 9 HD3 ARG 9 41.635 -3.892 11.946
56 HH11 ARG 9 HH11 ARG 9 42.719 -4.836 14.183
57 HH12 ARG 9 HH12 ARG 9 43.367 -4.106 15.614
58 HH21 ARG 9 HH21 ARG 9 41.178 -1.382 15.568
59 HH22 ARG 9 HH22 ARG 9 42.488 -2.145 16.404
60 H LEU 10 H LEU 10 38.836 -1.785 8.674
61 HA LEU 10 HA LEU 10 38.878 -3.197 6.164
62 HG LEU 10 HG LEU 10 35.946 -1.553 5.014
63 HB2 LEU 10 HB2 LEU 10 36.786 -2.297 6.968
64 HB3 LEU 10 HB3 LEU 10 37.483 -0.683 7.065
65 HD11 LEU 10 HD11 LEU 10 36.252 0.695 5.056
66 HD12 LEU 10 HD12 LEU 10 37.334 0.300 3.719
67 HD13 LEU 10 HD13 LEU 10 37.990 0.569 5.333
68 HD21 LEU 10 HD21 LEU 10 37.140 -2.278 3.182
69 HD22 LEU 10 HD22 LEU 10 37.969 -3.122 4.491
70 HD23 LEU 10 HD23 LEU 10 38.673 -1.660 3.800
71 H ILE 11 H ILE 11 39.446 0.221 7.021
72 HA ILE 11 HA ILE 11 40.499 1.080 4.634
73 HB ILE 11 HB ILE 11 41.315 1.945 7.407
74 HG12 ILE 11 HG12 ILE 11 38.872 2.150 6.635
75 HG13 ILE 11 HG13 ILE 11 39.654 3.610 7.252
76 HG21 ILE 11 HG21 ILE 11 41.652 3.558 4.896
77 HG22 ILE 11 HG22 ILE 11 42.925 2.495 5.496
78 HG23 ILE 11 HG23 ILE 11 42.355 3.836 6.488
79 HD11 ILE 11 HD11 ILE 11 38.231 3.782 5.132
80 HD12 ILE 11 HD12 ILE 11 39.592 3.006 4.321
81 HD13 ILE 11 HD13 ILE 11 39.815 4.555 5.137
82 H GLU 12 H GLU 12 42.424 0.005 7.445
83 HA GLU 12 HA GLU 12 44.898 0.148 6.373
84 HB2 GLU 12 HB2 GLU 12 43.811 -1.035 8.638
85 HB3 GLU 12 HB3 GLU 12 44.605 -2.366 7.810
86 HG2 GLU 12 HG2 GLU 12 46.100 -1.350 9.412
87 HG3 GLU 12 HG3 GLU 12 46.693 -1.103 7.770
88 H SER 13 H SER 13 42.582 -2.450 5.788
89 HA SER 13 HA SER 13 44.152 -4.248 4.462
90 HG SER 13 HG SER 13 42.004 -6.001 3.659
91 HB2 SER 13 HB2 SER 13 41.588 -4.271 4.772
92 HB3 SER 13 HB3 SER 13 41.526 -3.340 3.275
93 H LEU 14 H LEU 14 43.074 -1.073 3.436
94 HA LEU 14 HA LEU 14 43.884 -1.233 0.742
95 HG LEU 14 HG LEU 14 41.704 0.918 0.318
96 HB2 LEU 14 HB2 LEU 14 43.523 1.129 2.582
97 HB3 LEU 14 HB3 LEU 14 43.848 1.277 0.857
98 HD11 LEU 14 HD11 LEU 14 41.993 -1.503 0.830
99 HD12 LEU 14 HD12 LEU 14 40.357 -0.904 1.093
100 HD13 LEU 14 HD13 LEU 14 41.428 -1.177 2.467
101 HD21 LEU 14 HD21 LEU 14 40.367 0.912 2.791
102 HD22 LEU 14 HD22 LEU 14 40.653 2.277 1.715
103 HD23 LEU 14 HD23 LEU 14 41.806 1.909 2.997
104 H SER 15 H SER 15 45.636 -0.627 3.668
105 HA SER 15 HA SER 15 47.830 0.778 2.884
106 HG SER 15 HG SER 15 47.943 -2.330 5.481
107 HB2 SER 15 HB2 SER 15 49.030 -0.230 4.665
108 HB3 SER 15 HB3 SER 15 47.342 -0.301 5.171
109 H GLN 16 H GLN 16 46.829 -2.366 2.019
110 HA GLN 16 HA GLN 16 49.210 -3.386 0.904
111 HB2 GLN 16 HB2 GLN 16 46.284 -3.987 0.582
112 HB3 GLN 16 HB3 GLN 16 47.470 -4.787 -0.429
113 HG2 GLN 16 HG2 GLN 16 48.091 -6.170 1.201
114 HG3 GLN 16 HG3 GLN 16 48.158 -4.871 2.390
115 HE21 GLN 16 HE21 GLN 16 45.363 -5.796 0.473
116 HE22 GLN 16 HE22 GLN 16 44.392 -6.329 1.806
117 H MET 17 H MET 17 46.405 -1.719 -0.515
118 HA MET 17 HA MET 17 47.622 -1.574 -3.125
119 HB2 MET 17 HB2 MET 17 45.247 -1.761 -3.091
120 HB3 MET 17 HB3 MET 17 45.089 -0.427 -1.955
121 HG2 MET 17 HG2 MET 17 44.545 -0.063 -4.460
122 HG3 MET 17 HG3 MET 17 45.439 1.171 -3.566
123 HE1 MET 17 HE1 MET 17 47.917 -1.998 -5.636
124 HE2 MET 17 HE2 MET 17 46.273 -1.973 -6.271
125 HE3 MET 17 HE3 MET 17 46.548 -2.227 -4.548
126 H LEU 18 H LEU 18 46.943 0.663 -0.459
127 HA LEU 18 HA LEU 18 47.669 3.078 -1.517
128 HG LEU 18 HG LEU 18 47.530 4.479 1.769
129 HB2 LEU 18 HB2 LEU 18 47.410 1.964 1.082
130 HB3 LEU 18 HB3 LEU 18 48.948 2.822 1.041
131 HD11 LEU 18 HD11 LEU 18 48.668 4.981 -0.491
132 HD12 LEU 18 HD12 LEU 18 47.418 6.079 0.095
133 HD13 LEU 18 HD13 LEU 18 47.036 4.892 -1.152
134 HD21 LEU 18 HD21 LEU 18 45.341 4.127 1.799
135 HD22 LEU 18 HD22 LEU 18 45.520 2.810 0.639
136 HD23 LEU 18 HD23 LEU 18 45.270 4.460 0.069
137 H SER 19 H SER 19 49.620 0.343 -0.839
138 HA SER 19 HA SER 19 52.173 1.269 -0.608
139 HG SER 19 HG SER 19 53.651 -0.298 -2.244
140 HB2 SER 19 HB2 SER 19 52.126 -1.027 -0.542
141 HB3 SER 19 HB3 SER 19 50.977 -1.146 -1.873
142 H MET 20 H MET 20 50.193 1.107 -3.507
143 HA MET 20 HA MET 20 52.365 2.272 -5.084
144 HB2 MET 20 HB2 MET 20 50.277 0.439 -5.671
145 HB3 MET 20 HB3 MET 20 49.980 1.891 -6.618
146 HG2 MET 20 HG2 MET 20 52.260 1.764 -7.511
147 HG3 MET 20 HG3 MET 20 52.524 0.281 -6.584
148 HE1 MET 20 HE1 MET 20 50.646 -2.311 -7.742
149 HE2 MET 20 HE2 MET 20 52.155 -1.697 -7.065
150 HE3 MET 20 HE3 MET 20 52.092 -2.223 -8.748
151 H GLY 21 H GLY 21 49.080 2.971 -3.919
152 HA2 GLY 21 HA2 GLY 21 48.415 5.183 -3.388
153 HA3 GLY 21 HA3 GLY 21 49.577 5.787 -4.561
154 H PHE 22 H PHE 22 47.036 3.306 -4.861
155 HA PHE 22 HA PHE 22 45.578 5.053 -6.707
156 HD1 PHE 22 HD1 PHE 22 44.963 4.823 -9.538
157 HD2 PHE 22 HD2 PHE 22 45.155 0.883 -7.942
158 HE1 PHE 22 HE1 PHE 22 43.137 4.133 -11.037
159 HE2 PHE 22 HE2 PHE 22 43.331 0.185 -9.438
160 HZ PHE 22 HZ PHE 22 42.320 1.809 -10.989
161 HB2 PHE 22 HB2 PHE 22 46.951 3.974 -8.282
162 HB3 PHE 22 HB3 PHE 22 46.847 2.430 -7.447
163 H SER 23 H SER 23 43.414 4.421 -7.117
164 HA SER 23 HA SER 23 42.353 2.498 -5.147
165 HG SER 23 HG SER 23 42.318 5.772 -4.937
166 HB2 SER 23 HB2 SER 23 40.939 4.883 -6.351
167 HB3 SER 23 HB3 SER 23 40.313 3.813 -5.095
168 H ASP 24 H ASP 24 40.413 1.373 -5.718
169 HA ASP 24 HA ASP 24 40.494 0.264 -8.325
170 HB2 ASP 24 HB2 ASP 24 39.740 -1.215 -6.660
171 HB3 ASP 24 HB3 ASP 24 38.632 -0.019 -5.976
172 H GLU 25 H GLU 25 38.956 0.414 -9.958
173 HA GLU 25 HA GLU 25 36.926 2.489 -9.798
174 HB2 GLU 25 HB2 GLU 25 39.209 2.524 -11.772
175 HB3 GLU 25 HB3 GLU 25 37.721 3.429 -12.013
176 HG2 GLU 25 HG2 GLU 25 38.138 4.640 -9.918
177 HG3 GLU 25 HG3 GLU 25 39.655 3.759 -9.732
178 H GLY 26 H GLY 26 37.377 -0.544 -10.285
179 HA2 GLY 26 HA2 GLY 26 35.352 -0.713 -12.397
180 HA3 GLY 26 HA3 GLY 26 36.853 -1.609 -12.629
181 H GLY 27 H GLY 27 37.424 -2.795 -10.356
182 HA2 GLY 27 HA2 GLY 27 35.701 -3.794 -8.577
183 HA3 GLY 27 HA3 GLY 27 35.210 -4.654 -10.026
184 H TRP 28 H TRP 28 38.489 -3.744 -9.024
185 HA TRP 28 HA TRP 28 39.185 -6.598 -9.095
186 HD1 TRP 28 HD1 TRP 28 40.291 -2.522 -10.704
187 HE1 TRP 28 HE1 TRP 28 41.604 -0.671 -9.490
188 HE3 TRP 28 HE3 TRP 28 42.640 -5.373 -7.170
189 HZ2 TRP 28 HZ2 TRP 28 43.397 -0.447 -7.322
190 HZ3 TRP 28 HZ3 TRP 28 44.139 -4.263 -5.566
191 HH2 TRP 28 HH2 TRP 28 44.510 -1.850 -5.641
192 HB2 TRP 28 HB2 TRP 28 41.484 -5.898 -9.491
193 HB3 TRP 28 HB3 TRP 28 40.410 -5.143 -10.672
194 H LEU 29 H LEU 29 39.822 -3.623 -7.254
195 HA LEU 29 HA LEU 29 41.078 -5.031 -5.094
196 HG LEU 29 HG LEU 29 42.508 -3.375 -3.784
197 HB2 LEU 29 HB2 LEU 29 41.440 -2.590 -5.824
198 HB3 LEU 29 HB3 LEU 29 39.957 -2.244 -4.941
199 HD11 LEU 29 HD11 LEU 29 41.824 -0.758 -4.369
200 HD12 LEU 29 HD12 LEU 29 43.075 -1.292 -3.247
201 HD13 LEU 29 HD13 LEU 29 41.457 -0.924 -2.653
202 HD21 LEU 29 HD21 LEU 29 40.967 -4.359 -2.416
203 HD22 LEU 29 HD22 LEU 29 39.751 -3.114 -2.702
204 HD23 LEU 29 HD23 LEU 29 41.110 -2.789 -1.628
205 H THR 30 H THR 30 37.863 -3.825 -5.798
206 HA THR 30 HA THR 30 36.692 -3.901 -3.298
207 HB THR 30 HB THR 30 35.205 -4.920 -5.693
208 HG1 THR 30 HG1 THR 30 35.347 -3.058 -6.693
209 HG21 THR 30 HG21 THR 30 33.577 -3.141 -4.801
210 HG22 THR 30 HG22 THR 30 34.546 -3.219 -3.330
211 HG23 THR 30 HG23 THR 30 33.735 -4.666 -3.929
212 H ARG 31 H ARG 31 36.323 -6.515 -5.694
213 HA ARG 31 HA ARG 31 35.241 -8.457 -4.155
214 HE ARG 31 HE ARG 31 38.056 -9.901 -8.771
215 HB2 ARG 31 HB2 ARG 31 36.609 -10.097 -5.580
216 HB3 ARG 31 HB3 ARG 31 35.542 -8.977 -6.417
217 HG2 ARG 31 HG2 ARG 31 37.255 -8.302 -7.640
218 HG3 ARG 31 HG3 ARG 31 38.034 -7.689 -6.180
219 HD2 ARG 31 HD2 ARG 31 39.655 -9.164 -6.615
220 HD3 ARG 31 HD3 ARG 31 38.519 -10.389 -6.040
221 HH11 ARG 31 HH11 ARG 31 40.408 -11.350 -6.651
222 HH12 ARG 31 HH12 ARG 31 40.976 -12.477 -7.836
223 HH21 ARG 31 HH21 ARG 31 38.799 -11.383 -10.344
224 HH22 ARG 31 HH22 ARG 31 40.063 -12.496 -9.937
225 H LEU 32 H LEU 32 38.693 -7.687 -4.339
226 HA LEU 32 HA LEU 32 39.445 -9.737 -2.492
227 HG LEU 32 HG LEU 32 41.054 -6.377 -2.482
228 HB2 LEU 32 HB2 LEU 32 41.506 -9.274 -3.192
229 HB3 LEU 32 HB3 LEU 32 40.783 -8.122 -4.295
230 HD11 LEU 32 HD11 LEU 32 41.727 -6.978 -0.459
231 HD12 LEU 32 HD12 LEU 32 43.223 -7.624 -1.134
232 HD13 LEU 32 HD13 LEU 32 41.803 -8.659 -0.986
233 HD21 LEU 32 HD21 LEU 32 42.593 -6.784 -4.469
234 HD22 LEU 32 HD22 LEU 32 43.671 -7.585 -3.326
235 HD23 LEU 32 HD23 LEU 32 43.262 -5.882 -3.111
236 H LEU 33 H LEU 33 38.610 -6.342 -2.243
237 HA LEU 33 HA LEU 33 39.466 -6.109 0.490
238 HG LEU 33 HG LEU 33 37.064 -4.078 0.972
239 HB2 LEU 33 HB2 LEU 33 39.565 -4.103 -0.699
240 HB3 LEU 33 HB3 LEU 33 37.980 -4.346 -1.421
241 HD11 LEU 33 HD11 LEU 33 39.896 -3.663 1.398
242 HD12 LEU 33 HD12 LEU 33 38.600 -3.888 2.571
243 HD13 LEU 33 HD13 LEU 33 38.943 -2.280 1.933
244 HD21 LEU 33 HD21 LEU 33 37.216 -1.569 0.765
245 HD22 LEU 33 HD22 LEU 33 36.599 -2.422 -0.652
246 HD23 LEU 33 HD23 LEU 33 38.263 -1.833 -0.630
247 H GLN 34 H GLN 34 36.440 -6.711 -1.195
248 HA GLN 34 HA GLN 34 34.807 -6.427 1.112
249 HB2 GLN 34 HB2 GLN 34 33.659 -6.126 -0.865
250 HB3 GLN 34 HB3 GLN 34 34.389 -7.528 -1.637
251 HG2 GLN 34 HG2 GLN 34 32.385 -8.461 -1.261
252 HG3 GLN 34 HG3 GLN 34 33.008 -8.716 0.371
253 HE21 GLN 34 HE21 GLN 34 32.943 -5.788 0.857
254 HE22 GLN 34 HE22 GLN 34 31.275 -5.421 1.178
255 H THR 35 H THR 35 36.723 -8.937 -0.183
256 HA THR 35 HA THR 35 35.712 -11.295 0.610
257 HB THR 35 HB THR 35 38.508 -10.237 0.887
258 HG1 THR 35 HG1 THR 35 38.831 -11.768 -0.784
259 HG21 THR 35 HG21 THR 35 37.477 -12.791 1.965
260 HG22 THR 35 HG22 THR 35 38.835 -11.798 2.495
261 HG23 THR 35 HG23 THR 35 38.999 -12.833 1.075
262 H LYS 36 H LYS 36 36.603 -8.703 2.765
263 HA LYS 36 HA LYS 36 36.232 -10.443 5.081
264 HB2 LYS 36 HB2 LYS 36 36.933 -7.968 6.067
265 HB3 LYS 36 HB3 LYS 36 38.029 -9.316 5.786
266 HG2 LYS 36 HG2 LYS 36 37.418 -7.159 3.763
267 HG3 LYS 36 HG3 LYS 36 38.827 -7.182 4.828
268 HD2 LYS 36 HD2 LYS 36 38.606 -9.706 3.497
269 HD3 LYS 36 HD3 LYS 36 38.548 -8.406 2.305
270 HE2 LYS 36 HE2 LYS 36 40.818 -8.785 2.486
271 HE3 LYS 36 HE3 LYS 36 40.579 -7.465 3.631
272 HZ1 LYS 36 HZ1 LYS 36 40.648 -8.971 5.439
273 HZ2 LYS 36 HZ2 LYS 36 41.969 -9.351 4.453
274 HZ3 LYS 36 HZ3 LYS 36 40.585 -10.322 4.423
275 H ASN 37 H ASN 37 34.670 -7.978 3.321
276 HA ASN 37 HA ASN 37 32.296 -7.693 3.570
277 HB2 ASN 37 HB2 ASN 37 32.916 -7.623 6.538
278 HB3 ASN 37 HB3 ASN 37 31.342 -7.279 5.819
279 HD21 ASN 37 HD21 ASN 37 31.971 -9.467 3.780
280 HD22 ASN 37 HD22 ASN 37 31.579 -10.930 4.630
281 H TYR 38 H TYR 38 33.751 -6.084 2.495
282 HA TYR 38 HA TYR 38 33.138 -3.517 3.614
283 HD1 TYR 38 HD2 TYR 38 34.126 -3.257 5.920
284 HD2 TYR 38 HD1 TYR 38 37.294 -5.355 4.021
285 HE1 TYR 38 HE2 TYR 38 34.778 -4.221 8.083
286 HE2 TYR 38 HE1 TYR 38 37.950 -6.324 6.173
287 HH TYR 38 HH TYR 38 36.347 -5.391 9.185
288 HB2 TYR 38 HB2 TYR 38 35.982 -4.001 2.754
289 HB3 TYR 38 HB3 TYR 38 35.325 -2.584 3.564
290 H ASP 39 H ASP 39 32.872 -1.948 2.050
291 HA ASP 39 HA ASP 39 33.151 -2.914 -0.714
292 HB2 ASP 39 HB2 ASP 39 31.417 -1.010 -1.130
293 HB3 ASP 39 HB3 ASP 39 30.868 -2.533 -0.431
294 H ILE 40 H ILE 40 34.006 -1.510 -2.276
295 HA ILE 40 HA ILE 40 36.199 -0.060 -1.777
296 HB ILE 40 HB ILE 40 35.651 -0.417 -4.040
297 HG12 ILE 40 HG12 ILE 40 35.094 2.462 -4.212
298 HG13 ILE 40 HG13 ILE 40 36.449 2.061 -3.150
299 HG21 ILE 40 HG21 ILE 40 33.292 1.406 -3.974
300 HG22 ILE 40 HG22 ILE 40 33.123 -0.267 -3.436
301 HG23 ILE 40 HG23 ILE 40 33.661 0.081 -5.081
302 HD11 ILE 40 HD11 ILE 40 36.655 0.565 -5.578
303 HD12 ILE 40 HD12 ILE 40 37.766 1.751 -4.894
304 HD13 ILE 40 HD13 ILE 40 36.449 2.278 -5.942
305 H GLY 41 H GLY 41 32.881 1.076 -1.414
306 HA2 GLY 41 HA2 GLY 41 33.371 3.813 -1.085
307 HA3 GLY 41 HA3 GLY 41 32.021 2.935 -0.363
308 H ALA 42 H ALA 42 34.239 1.191 0.849
309 HA ALA 42 HA ALA 42 34.616 2.807 3.259
310 HB1 ALA 42 HB1 ALA 42 33.679 0.274 3.002
311 HB2 ALA 42 HB2 ALA 42 34.475 0.881 4.454
312 HB3 ALA 42 HB3 ALA 42 35.394 -0.047 3.264
313 H ALA 43 H ALA 43 36.232 1.356 0.585
314 HA ALA 43 HA ALA 43 38.866 1.599 1.810
315 HB1 ALA 43 HB1 ALA 43 38.673 -0.357 0.548
316 HB2 ALA 43 HB2 ALA 43 39.614 0.732 -0.470
317 HB3 ALA 43 HB3 ALA 43 37.899 0.478 -0.798
318 H LEU 44 H LEU 44 37.359 2.728 -1.217
319 HA LEU 44 HA LEU 44 39.214 4.464 -2.145
320 HG LEU 44 HG LEU 44 38.512 5.983 -3.806
321 HB2 LEU 44 HB2 LEU 44 36.624 3.941 -2.751
322 HB3 LEU 44 HB3 LEU 44 36.479 5.578 -2.117
323 HD11 LEU 44 HD11 LEU 44 38.302 3.473 -4.406
324 HD12 LEU 44 HD12 LEU 44 38.505 4.654 -5.700
325 HD13 LEU 44 HD13 LEU 44 36.908 3.991 -5.354
326 HD21 LEU 44 HD21 LEU 44 35.715 6.447 -3.769
327 HD22 LEU 44 HD22 LEU 44 36.176 6.030 -5.420
328 HD23 LEU 44 HD23 LEU 44 36.972 7.369 -4.594
329 H ASP 45 H ASP 45 37.286 4.842 0.706
330 HA ASP 45 HA ASP 45 37.322 7.547 1.158
331 HB2 ASP 45 HB2 ASP 45 36.607 5.352 2.618
332 HB3 ASP 45 HB3 ASP 45 37.980 5.955 3.541
333 H THR 46 H THR 46 39.954 5.236 1.753
334 HA THR 46 HA THR 46 41.646 7.407 2.703
335 HB THR 46 HB THR 46 41.530 5.111 3.814
336 HG1 THR 46 HG1 THR 46 43.960 5.127 3.965
337 HG21 THR 46 HG21 THR 46 42.969 3.385 2.981
338 HG22 THR 46 HG22 THR 46 43.404 4.368 1.582
339 HG23 THR 46 HG23 THR 46 41.756 3.767 1.762
340 H ILE 47 H ILE 47 41.873 4.883 0.172
341 HA ILE 47 HA ILE 47 44.199 6.066 -0.966
342 HB ILE 47 HB ILE 47 42.546 4.350 -2.706
343 HG12 ILE 47 HG12 ILE 47 43.630 3.410 -0.052
344 HG13 ILE 47 HG13 ILE 47 41.996 3.232 -0.677
345 HG21 ILE 47 HG21 ILE 47 45.092 3.285 -2.291
346 HG22 ILE 47 HG22 ILE 47 45.304 5.035 -2.264
347 HG23 ILE 47 HG23 ILE 47 44.550 4.260 -3.657
348 HD11 ILE 47 HD11 ILE 47 44.264 1.498 -0.960
349 HD12 ILE 47 HD12 ILE 47 43.627 1.960 -2.539
350 HD13 ILE 47 HD13 ILE 47 42.568 1.207 -1.346
351 H GLN 48 H GLN 48 41.537 7.679 -0.783
352 HA GLN 48 HA GLN 48 41.621 8.576 -3.590
353 HB2 GLN 48 HB2 GLN 48 39.458 7.452 -2.830
354 HB3 GLN 48 HB3 GLN 48 39.202 8.865 -1.815
355 HG2 GLN 48 HG2 GLN 48 38.027 8.894 -4.018
356 HG3 GLN 48 HG3 GLN 48 39.049 10.293 -3.694
357 HE21 GLN 48 HE21 GLN 48 39.601 7.014 -4.966
358 HE22 GLN 48 HE22 GLN 48 40.446 7.532 -6.389
359 H TYR 49 H TYR 49 42.440 10.535 -3.814
360 HA TYR 49 HA TYR 49 41.657 12.805 -2.399
361 HD1 TYR 49 HD2 TYR 49 43.220 9.601 -0.604
362 HD2 TYR 49 HD1 TYR 49 45.999 12.528 -1.948
363 HE1 TYR 49 HE2 TYR 49 44.996 7.902 -0.613
364 HE2 TYR 49 HE1 TYR 49 47.783 10.837 -1.963
365 HH TYR 49 HH TYR 49 48.323 8.721 -1.554
366 HB2 TYR 49 HB2 TYR 49 43.846 13.195 -1.138
367 HB3 TYR 49 HB3 TYR 49 42.729 12.017 -0.440
368 H SER 50 H SER 50 42.141 12.134 -5.062
369 HA SER 50 HA SER 50 44.662 13.038 -5.994
370 HG SER 50 HG SER 50 41.394 11.900 -8.041
371 HB2 SER 50 HB2 SER 50 43.130 13.406 -8.160
372 HB3 SER 50 HB3 SER 50 43.647 11.804 -7.636
373 H LYS 51 H LYS 51 44.861 14.995 -4.699
374 HA LYS 51 HA LYS 51 44.746 17.247 -4.342
375 HB2 LYS 51 HB2 LYS 51 45.080 16.758 -7.127
376 HB3 LYS 51 HB3 LYS 51 44.022 18.151 -6.950
377 HG2 LYS 51 HG2 LYS 51 45.690 19.468 -6.288
378 HG3 LYS 51 HG3 LYS 51 46.328 18.252 -5.179
379 HD2 LYS 51 HD2 LYS 51 47.713 17.335 -6.772
380 HD3 LYS 51 HD3 LYS 51 46.696 17.864 -8.113
381 HE2 LYS 51 HE2 LYS 51 47.379 20.244 -7.405
382 HE3 LYS 51 HE3 LYS 51 48.667 19.447 -6.502
383 HZ1 LYS 51 HZ1 LYS 51 48.936 18.278 -8.872
384 HZ2 LYS 51 HZ2 LYS 51 49.756 19.694 -8.442
385 HZ3 LYS 51 HZ3 LYS 51 48.344 19.783 -9.369
386 H HIS 52 H HIS 52 42.302 15.819 -3.891
387 HA HIS 52 HA HIS 52 40.523 17.939 -3.533
388 HD1 HIS 52 HD1 HIS 52 40.007 19.110 -7.357
389 HD2 HIS 52 HD2 HIS 52 37.789 18.718 -3.866
390 HE1 HIS 52 HE1 HIS 52 38.622 21.217 -7.154
391 HB2 HIS 52 HB2 HIS 52 40.483 16.972 -6.185
392 HB3 HIS 52 HB3 HIS 52 39.020 16.356 -5.414
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 29.394 5.105 3.754
2 H2 GLY 1 2H GLY 1 28.094 4.062 3.460
3 H3 GLY 1 3H GLY 1 29.231 4.360 2.244
4 HA2 GLY 1 HA2 GLY 1 29.414 2.164 3.485
5 HA3 GLY 1 HA3 GLY 1 30.878 3.105 3.256
6 H SER 2 H SER 2 28.735 1.703 5.504
7 HA SER 2 HA SER 2 30.210 2.944 7.733
8 HG SER 2 HG SER 2 29.235 3.481 9.376
9 HB2 SER 2 HB2 SER 2 27.532 3.098 7.363
10 HB3 SER 2 HB3 SER 2 27.628 1.615 8.311
11 HA PRO 3 HA PRO 3 31.580 -1.401 7.875
12 HB2 PRO 3 HB2 PRO 3 33.814 -0.880 9.338
13 HB3 PRO 3 HB3 PRO 3 33.743 -0.696 7.582
14 HG2 PRO 3 HG2 PRO 3 33.514 1.385 9.719
15 HG3 PRO 3 HG3 PRO 3 34.388 1.454 8.178
16 HD2 PRO 3 HD2 PRO 3 31.970 2.621 8.540
17 HD3 PRO 3 HD3 PRO 3 32.488 1.958 6.977
18 HA PRO 4 HA PRO 4 30.093 -2.518 11.879
19 HB2 PRO 4 HB2 PRO 4 32.074 -4.674 12.024
20 HB3 PRO 4 HB3 PRO 4 30.319 -4.779 11.866
21 HG2 PRO 4 HG2 PRO 4 31.992 -5.432 9.851
22 HG3 PRO 4 HG3 PRO 4 30.390 -4.725 9.566
23 HD2 PRO 4 HD2 PRO 4 33.082 -3.412 9.504
24 HD3 PRO 4 HD3 PRO 4 31.693 -3.188 8.418
25 H GLU 5 H GLU 5 31.720 -0.399 12.236
26 HA GLU 5 HA GLU 5 32.784 0.597 14.020
27 HB2 GLU 5 HB2 GLU 5 33.605 -2.094 15.076
28 HB3 GLU 5 HB3 GLU 5 33.355 -0.594 15.961
29 HG2 GLU 5 HG2 GLU 5 30.880 -1.067 14.899
30 HG3 GLU 5 HG3 GLU 5 31.464 -2.692 15.250
31 H ALA 6 H ALA 6 33.873 -0.877 11.496
32 HA ALA 6 HA ALA 6 36.721 -0.751 12.192
33 HB1 ALA 6 HB1 ALA 6 36.974 -2.598 10.991
34 HB2 ALA 6 HB2 ALA 6 36.273 -1.814 9.576
35 HB3 ALA 6 HB3 ALA 6 35.231 -2.643 10.733
36 H ASP 7 H ASP 7 36.059 1.687 12.078
37 HA ASP 7 HA ASP 7 35.684 2.919 9.567
38 HB2 ASP 7 HB2 ASP 7 36.469 3.792 12.291
39 HB3 ASP 7 HB3 ASP 7 36.975 4.842 10.972
40 HA PRO 8 HA PRO 8 40.458 3.137 9.464
41 HB2 PRO 8 HB2 PRO 8 41.886 2.066 11.446
42 HB3 PRO 8 HB3 PRO 8 41.100 3.637 11.642
43 HG2 PRO 8 HG2 PRO 8 40.288 0.967 12.691
44 HG3 PRO 8 HG3 PRO 8 40.149 2.560 13.449
45 HD2 PRO 8 HD2 PRO 8 38.098 1.189 12.117
46 HD3 PRO 8 HD3 PRO 8 38.102 2.914 12.535
47 H ARG 9 H ARG 9 39.231 0.138 10.881
48 HA ARG 9 HA ARG 9 41.110 -1.630 9.808
49 HE ARG 9 HE ARG 9 37.786 -4.234 11.838
50 HB2 ARG 9 HB2 ARG 9 38.644 -1.786 11.250
51 HB3 ARG 9 HB3 ARG 9 38.612 -2.958 9.937
52 HG2 ARG 9 HG2 ARG 9 41.152 -3.183 11.088
53 HG3 ARG 9 HG3 ARG 9 40.020 -3.055 12.435
54 HD2 ARG 9 HD2 ARG 9 39.768 -4.978 10.128
55 HD3 ARG 9 HD3 ARG 9 40.402 -5.386 11.726
56 HH11 ARG 9 HH11 ARG 9 39.567 -7.172 11.299
57 HH12 ARG 9 HH12 ARG 9 38.248 -8.207 11.734
58 HH21 ARG 9 HH21 ARG 9 36.038 -5.583 12.415
59 HH22 ARG 9 HH22 ARG 9 36.240 -7.302 12.373
60 H LEU 10 H LEU 10 38.463 0.005 8.309
61 HA LEU 10 HA LEU 10 38.557 -1.783 5.990
62 HG LEU 10 HG LEU 10 35.952 -2.243 5.487
63 HB2 LEU 10 HB2 LEU 10 36.411 -0.642 7.146
64 HB3 LEU 10 HB3 LEU 10 36.797 0.602 5.960
65 HD11 LEU 10 HD11 LEU 10 34.030 -1.249 5.018
66 HD12 LEU 10 HD12 LEU 10 34.819 -0.416 3.678
67 HD13 LEU 10 HD13 LEU 10 34.749 0.342 5.270
68 HD21 LEU 10 HD21 LEU 10 37.763 -2.170 4.039
69 HD22 LEU 10 HD22 LEU 10 37.542 -0.458 3.685
70 HD23 LEU 10 HD23 LEU 10 36.419 -1.647 3.028
71 H ILE 11 H ILE 11 38.695 1.703 6.674
72 HA ILE 11 HA ILE 11 39.507 2.621 4.211
73 HB ILE 11 HB ILE 11 40.051 3.591 6.997
74 HG12 ILE 11 HG12 ILE 11 38.747 5.223 4.873
75 HG13 ILE 11 HG13 ILE 11 37.859 3.824 5.490
76 HG21 ILE 11 HG21 ILE 11 40.789 5.702 5.376
77 HG22 ILE 11 HG22 ILE 11 41.587 4.312 4.638
78 HG23 ILE 11 HG23 ILE 11 41.868 4.693 6.336
79 HD11 ILE 11 HD11 ILE 11 38.904 5.267 7.701
80 HD12 ILE 11 HD12 ILE 11 37.221 5.000 7.245
81 HD13 ILE 11 HD13 ILE 11 38.094 6.401 6.621
82 H GLU 12 H GLU 12 41.745 2.114 6.941
83 HA GLU 12 HA GLU 12 44.050 2.245 5.385
84 HB2 GLU 12 HB2 GLU 12 43.394 1.529 8.147
85 HB3 GLU 12 HB3 GLU 12 44.811 0.693 7.525
86 HG2 GLU 12 HG2 GLU 12 46.065 2.547 7.520
87 HG3 GLU 12 HG3 GLU 12 44.739 3.570 6.971
88 H SER 13 H SER 13 42.113 -0.569 6.300
89 HA SER 13 HA SER 13 43.830 -2.572 5.569
90 HG SER 13 HG SER 13 41.643 -3.247 7.280
91 HB2 SER 13 HB2 SER 13 40.885 -2.256 5.505
92 HB3 SER 13 HB3 SER 13 41.548 -3.535 4.490
93 H LEU 14 H LEU 14 42.192 -0.223 3.566
94 HA LEU 14 HA LEU 14 42.765 -1.562 1.092
95 HG LEU 14 HG LEU 14 40.122 0.352 -0.204
96 HB2 LEU 14 HB2 LEU 14 41.563 1.030 1.904
97 HB3 LEU 14 HB3 LEU 14 42.257 0.943 0.289
98 HD11 LEU 14 HD11 LEU 14 39.971 -1.905 -0.697
99 HD12 LEU 14 HD12 LEU 14 40.868 -2.380 0.746
100 HD13 LEU 14 HD13 LEU 14 41.708 -1.616 -0.604
101 HD21 LEU 14 HD21 LEU 14 39.503 0.538 2.264
102 HD22 LEU 14 HD22 LEU 14 39.738 -1.210 2.325
103 HD23 LEU 14 HD23 LEU 14 38.516 -0.522 1.256
104 H SER 15 H SER 15 44.439 0.568 3.185
105 HA SER 15 HA SER 15 46.173 1.974 1.657
106 HG SER 15 HG SER 15 47.000 -0.656 3.799
107 HB2 SER 15 HB2 SER 15 47.581 2.084 3.501
108 HB3 SER 15 HB3 SER 15 46.077 1.561 4.259
109 H GLN 16 H GLN 16 45.877 -1.398 1.849
110 HA GLN 16 HA GLN 16 48.395 -2.327 1.039
111 HB2 GLN 16 HB2 GLN 16 47.353 -4.385 0.572
112 HB3 GLN 16 HB3 GLN 16 46.372 -3.685 1.852
113 HG2 GLN 16 HG2 GLN 16 45.114 -2.749 -0.370
114 HG3 GLN 16 HG3 GLN 16 45.682 -4.323 -0.920
115 HE21 GLN 16 HE21 GLN 16 43.074 -4.087 -0.884
116 HE22 GLN 16 HE22 GLN 16 42.362 -4.900 0.472
117 H MET 17 H MET 17 45.682 -1.030 -0.758
118 HA MET 17 HA MET 17 46.966 -1.558 -3.319
119 HB2 MET 17 HB2 MET 17 44.682 -1.938 -3.496
120 HB3 MET 17 HB3 MET 17 44.272 -0.572 -2.469
121 HG2 MET 17 HG2 MET 17 43.727 -0.347 -4.921
122 HG3 MET 17 HG3 MET 17 44.638 0.978 -4.190
123 HE1 MET 17 HE1 MET 17 46.521 -2.335 -6.752
124 HE2 MET 17 HE2 MET 17 44.846 -1.886 -7.070
125 HE3 MET 17 HE3 MET 17 45.303 -2.527 -5.491
126 H LEU 18 H LEU 18 45.719 1.287 -1.562
127 HA LEU 18 HA LEU 18 46.457 3.317 -3.221
128 HG LEU 18 HG LEU 18 48.163 4.617 -0.278
129 HB2 LEU 18 HB2 LEU 18 45.396 4.042 -1.299
130 HB3 LEU 18 HB3 LEU 18 46.412 3.062 -0.245
131 HD11 LEU 18 HD11 LEU 18 47.441 6.693 -1.999
132 HD12 LEU 18 HD12 LEU 18 47.173 5.207 -2.911
133 HD13 LEU 18 HD13 LEU 18 48.756 5.536 -2.205
134 HD21 LEU 18 HD21 LEU 18 45.784 5.342 0.696
135 HD22 LEU 18 HD22 LEU 18 46.016 6.644 -0.472
136 HD23 LEU 18 HD23 LEU 18 47.213 6.371 0.795
137 H SER 19 H SER 19 48.532 2.036 -0.652
138 HA SER 19 HA SER 19 50.859 3.348 -1.093
139 HG SER 19 HG SER 19 50.293 -0.359 0.329
140 HB2 SER 19 HB2 SER 19 52.061 1.307 -0.308
141 HB3 SER 19 HB3 SER 19 50.664 1.711 0.689
142 H MET 20 H MET 20 49.425 0.939 -3.162
143 HA MET 20 HA MET 20 51.762 0.440 -4.733
144 HB2 MET 20 HB2 MET 20 49.393 -0.839 -4.459
145 HB3 MET 20 HB3 MET 20 49.098 0.032 -5.957
146 HG2 MET 20 HG2 MET 20 50.772 -1.090 -7.096
147 HG3 MET 20 HG3 MET 20 51.593 -1.577 -5.608
148 HE1 MET 20 HE1 MET 20 50.379 -2.761 -8.410
149 HE2 MET 20 HE2 MET 20 48.628 -2.795 -8.203
150 HE3 MET 20 HE3 MET 20 49.554 -4.293 -8.121
151 H GLY 21 H GLY 21 49.146 2.762 -4.822
152 HA2 GLY 21 HA2 GLY 21 49.469 4.886 -5.882
153 HA3 GLY 21 HA3 GLY 21 50.512 4.099 -7.059
154 H PHE 22 H PHE 22 47.231 3.276 -5.910
155 HA PHE 22 HA PHE 22 45.945 4.162 -8.277
156 HD1 PHE 22 HD1 PHE 22 44.597 3.301 -10.369
157 HD2 PHE 22 HD2 PHE 22 45.137 -0.315 -8.192
158 HE1 PHE 22 HE1 PHE 22 42.500 2.425 -11.314
159 HE2 PHE 22 HE2 PHE 22 43.038 -1.198 -9.133
160 HZ PHE 22 HZ PHE 22 41.719 0.174 -10.696
161 HB2 PHE 22 HB2 PHE 22 46.912 2.396 -9.470
162 HB3 PHE 22 HB3 PHE 22 46.774 1.280 -8.116
163 H SER 23 H SER 23 43.682 3.696 -8.310
164 HA SER 23 HA SER 23 42.625 2.705 -5.746
165 HG SER 23 HG SER 23 42.501 6.263 -5.785
166 HB2 SER 23 HB2 SER 23 41.065 4.773 -7.198
167 HB3 SER 23 HB3 SER 23 41.286 4.535 -5.462
168 H ASP 24 H ASP 24 40.799 1.459 -5.820
169 HA ASP 24 HA ASP 24 40.124 0.357 -8.421
170 HB2 ASP 24 HB2 ASP 24 39.256 -1.474 -7.289
171 HB3 ASP 24 HB3 ASP 24 40.511 -0.934 -6.168
172 H GLU 25 H GLU 25 38.502 1.201 -9.605
173 HA GLU 25 HA GLU 25 36.774 3.190 -8.742
174 HB2 GLU 25 HB2 GLU 25 37.344 2.008 -11.144
175 HB3 GLU 25 HB3 GLU 25 35.704 1.444 -10.856
176 HG2 GLU 25 HG2 GLU 25 35.902 3.551 -12.187
177 HG3 GLU 25 HG3 GLU 25 34.860 3.649 -10.768
178 H GLY 26 H GLY 26 36.680 -0.176 -8.179
179 HA2 GLY 26 HA2 GLY 26 35.243 -0.980 -6.404
180 HA3 GLY 26 HA3 GLY 26 33.996 0.122 -6.989
181 H GLY 27 H GLY 27 36.003 -2.548 -8.305
182 HA2 GLY 27 HA2 GLY 27 33.610 -3.999 -9.031
183 HA3 GLY 27 HA3 GLY 27 34.525 -3.377 -10.396
184 H TRP 28 H TRP 28 37.118 -3.730 -9.138
185 HA TRP 28 HA TRP 28 37.331 -6.642 -9.451
186 HD1 TRP 28 HD1 TRP 28 39.165 -2.656 -10.799
187 HE1 TRP 28 HE1 TRP 28 40.864 -1.256 -9.464
188 HE3 TRP 28 HE3 TRP 28 40.916 -6.286 -7.652
189 HZ2 TRP 28 HZ2 TRP 28 42.698 -1.641 -7.355
190 HZ3 TRP 28 HZ3 TRP 28 42.643 -5.688 -6.006
191 HH2 TRP 28 HH2 TRP 28 43.516 -3.409 -5.865
192 HB2 TRP 28 HB2 TRP 28 39.651 -6.297 -10.029
193 HB3 TRP 28 HB3 TRP 28 38.658 -5.200 -10.992
194 H LEU 29 H LEU 29 38.503 -3.988 -7.418
195 HA LEU 29 HA LEU 29 40.027 -5.338 -5.586
196 HG LEU 29 HG LEU 29 41.148 -2.939 -5.040
197 HB2 LEU 29 HB2 LEU 29 38.923 -2.812 -5.811
198 HB3 LEU 29 HB3 LEU 29 38.270 -3.407 -4.293
199 HD11 LEU 29 HD11 LEU 29 40.829 -1.886 -2.608
200 HD12 LEU 29 HD12 LEU 29 39.166 -1.765 -3.180
201 HD13 LEU 29 HD13 LEU 29 40.469 -0.995 -4.088
202 HD21 LEU 29 HD21 LEU 29 40.231 -5.121 -3.539
203 HD22 LEU 29 HD22 LEU 29 40.837 -3.946 -2.373
204 HD23 LEU 29 HD23 LEU 29 41.883 -4.521 -3.669
205 H THR 30 H THR 30 36.622 -5.578 -6.058
206 HA THR 30 HA THR 30 35.724 -6.358 -3.544
207 HB THR 30 HB THR 30 34.225 -7.924 -5.200
208 HG1 THR 30 HG1 THR 30 34.696 -7.443 -7.171
209 HG21 THR 30 HG21 THR 30 32.870 -6.494 -4.135
210 HG22 THR 30 HG22 THR 30 32.997 -5.575 -5.636
211 HG23 THR 30 HG23 THR 30 34.010 -5.153 -4.256
212 H ARG 31 H ARG 31 37.766 -7.987 -5.766
213 HA ARG 31 HA ARG 31 37.311 -10.658 -5.121
214 HE ARG 31 HE ARG 31 42.082 -11.762 -7.125
215 HB2 ARG 31 HB2 ARG 31 38.724 -9.951 -6.990
216 HB3 ARG 31 HB3 ARG 31 39.921 -9.326 -5.863
217 HG2 ARG 31 HG2 ARG 31 39.203 -12.139 -5.454
218 HG3 ARG 31 HG3 ARG 31 39.998 -11.783 -6.990
219 HD2 ARG 31 HD2 ARG 31 41.274 -10.412 -4.784
220 HD3 ARG 31 HD3 ARG 31 41.222 -12.159 -4.521
221 HH11 ARG 31 HH11 ARG 31 43.181 -11.014 -3.907
222 HH12 ARG 31 HH12 ARG 31 44.859 -11.049 -4.334
223 HH21 ARG 31 HH21 ARG 31 44.287 -11.812 -7.695
224 HH22 ARG 31 HH22 ARG 31 45.488 -11.504 -6.486
225 H LEU 32 H LEU 32 39.791 -8.477 -3.735
226 HA LEU 32 HA LEU 32 40.147 -10.370 -1.531
227 HG LEU 32 HG LEU 32 41.133 -6.839 -1.575
228 HB2 LEU 32 HB2 LEU 32 42.251 -9.611 -1.369
229 HB3 LEU 32 HB3 LEU 32 41.953 -8.910 -2.947
230 HD11 LEU 32 HD11 LEU 32 42.987 -6.971 0.449
231 HD12 LEU 32 HD12 LEU 32 42.254 -8.575 0.473
232 HD13 LEU 32 HD13 LEU 32 41.241 -7.142 0.631
233 HD21 LEU 32 HD21 LEU 32 44.041 -7.595 -1.828
234 HD22 LEU 32 HD22 LEU 32 43.428 -5.962 -1.574
235 HD23 LEU 32 HD23 LEU 32 43.046 -6.825 -3.064
236 H LEU 33 H LEU 33 38.951 -7.187 -2.216
237 HA LEU 33 HA LEU 33 38.790 -5.814 0.048
238 HG LEU 33 HG LEU 33 37.126 -3.968 -2.464
239 HB2 LEU 33 HB2 LEU 33 37.036 -6.182 -2.226
240 HB3 LEU 33 HB3 LEU 33 36.112 -5.823 -0.781
241 HD11 LEU 33 HD11 LEU 33 37.011 -3.057 0.308
242 HD12 LEU 33 HD12 LEU 33 35.600 -3.942 -0.263
243 HD13 LEU 33 HD13 LEU 33 36.140 -2.499 -1.116
244 HD21 LEU 33 HD21 LEU 33 38.960 -3.572 -0.189
245 HD22 LEU 33 HD22 LEU 33 39.129 -3.115 -1.879
246 HD23 LEU 33 HD23 LEU 33 39.421 -4.781 -1.387
247 H GLN 34 H GLN 34 36.257 -8.196 -0.670
248 HA GLN 34 HA GLN 34 34.832 -8.157 1.593
249 HB2 GLN 34 HB2 GLN 34 35.561 -10.419 -0.200
250 HB3 GLN 34 HB3 GLN 34 34.644 -10.745 1.266
251 HG2 GLN 34 HG2 GLN 34 33.148 -10.454 -0.607
252 HG3 GLN 34 HG3 GLN 34 32.938 -9.143 0.560
253 HE21 GLN 34 HE21 GLN 34 34.436 -7.190 0.062
254 HE22 GLN 34 HE22 GLN 34 34.449 -6.686 -1.602
255 H THR 35 H THR 35 38.079 -9.376 1.405
256 HA THR 35 HA THR 35 38.171 -11.029 3.627
257 HB THR 35 HB THR 35 40.225 -9.131 2.494
258 HG1 THR 35 HG1 THR 35 40.129 -10.765 1.137
259 HG21 THR 35 HG21 THR 35 41.403 -9.347 4.364
260 HG22 THR 35 HG22 THR 35 41.651 -11.019 3.863
261 HG23 THR 35 HG23 THR 35 40.353 -10.619 4.988
262 H LYS 36 H LYS 36 39.012 -7.581 3.570
263 HA LYS 36 HA LYS 36 37.970 -7.301 6.304
264 HB2 LYS 36 HB2 LYS 36 39.851 -5.978 6.977
265 HB3 LYS 36 HB3 LYS 36 40.475 -7.488 6.307
266 HG2 LYS 36 HG2 LYS 36 40.354 -4.818 4.924
267 HG3 LYS 36 HG3 LYS 36 41.800 -5.617 5.540
268 HD2 LYS 36 HD2 LYS 36 40.891 -7.557 3.943
269 HD3 LYS 36 HD3 LYS 36 40.201 -6.169 3.099
270 HE2 LYS 36 HE2 LYS 36 42.188 -5.991 2.089
271 HE3 LYS 36 HE3 LYS 36 42.785 -5.365 3.625
272 HZ1 LYS 36 HZ1 LYS 36 43.970 -7.351 2.491
273 HZ2 LYS 36 HZ2 LYS 36 42.723 -8.269 3.173
274 HZ3 LYS 36 HZ3 LYS 36 43.747 -7.363 4.169
275 H ASN 37 H ASN 37 37.773 -6.337 3.177
276 HA ASN 37 HA ASN 37 36.700 -3.711 3.914
277 HB2 ASN 37 HB2 ASN 37 38.105 -4.224 1.300
278 HB3 ASN 37 HB3 ASN 37 37.705 -2.673 2.043
279 HD21 ASN 37 HD21 ASN 37 40.191 -4.565 1.287
280 HD22 ASN 37 HD22 ASN 37 41.308 -4.154 2.555
281 H TYR 38 H TYR 38 34.612 -4.123 3.734
282 HA TYR 38 HA TYR 38 33.620 -5.538 1.387
283 HD1 TYR 38 HD2 TYR 38 32.952 -3.897 5.204
284 HD2 TYR 38 HD1 TYR 38 33.450 -8.011 4.233
285 HE1 TYR 38 HE2 TYR 38 33.994 -4.283 7.400
286 HE2 TYR 38 HE1 TYR 38 34.488 -8.407 6.424
287 HH TYR 38 HH TYR 38 35.580 -7.248 8.184
288 HB2 TYR 38 HB2 TYR 38 31.577 -5.132 3.362
289 HB3 TYR 38 HB3 TYR 38 32.254 -6.647 2.773
290 H ASP 39 H ASP 39 34.165 -2.502 2.389
291 HA ASP 39 HA ASP 39 31.892 -1.510 0.865
292 HB2 ASP 39 HB2 ASP 39 32.938 -0.163 3.349
293 HB3 ASP 39 HB3 ASP 39 31.553 0.337 2.378
294 H ILE 40 H ILE 40 32.936 -0.949 -0.976
295 HA ILE 40 HA ILE 40 35.496 0.092 -1.220
296 HB ILE 40 HB ILE 40 33.397 1.128 -3.070
297 HG12 ILE 40 HG12 ILE 40 34.178 -1.776 -2.789
298 HG13 ILE 40 HG13 ILE 40 32.552 -1.081 -2.806
299 HG21 ILE 40 HG21 ILE 40 35.772 1.614 -3.424
300 HG22 ILE 40 HG22 ILE 40 35.098 0.656 -4.743
301 HG23 ILE 40 HG23 ILE 40 36.108 -0.114 -3.518
302 HD11 ILE 40 HD11 ILE 40 34.302 -1.852 -5.022
303 HD12 ILE 40 HD12 ILE 40 33.490 -0.299 -5.226
304 HD13 ILE 40 HD13 ILE 40 32.542 -1.757 -4.936
305 H GLY 41 H GLY 41 32.542 1.513 -0.153
306 HA2 GLY 41 HA2 GLY 41 33.079 4.235 -0.562
307 HA3 GLY 41 HA3 GLY 41 32.063 3.579 0.727
308 H ALA 42 H ALA 42 34.611 1.939 1.388
309 HA ALA 42 HA ALA 42 35.774 3.953 3.163
310 HB1 ALA 42 HB1 ALA 42 36.027 0.936 3.226
311 HB2 ALA 42 HB2 ALA 42 34.931 1.890 4.226
312 HB3 ALA 42 HB3 ALA 42 36.675 2.057 4.422
313 H ALA 43 H ALA 43 36.423 1.690 0.572
314 HA ALA 43 HA ALA 43 39.213 1.702 0.597
315 HB1 ALA 43 HB1 ALA 43 37.218 1.334 -1.621
316 HB2 ALA 43 HB2 ALA 43 38.127 0.100 -0.749
317 HB3 ALA 43 HB3 ALA 43 38.957 1.176 -1.875
318 H LEU 44 H LEU 44 37.290 3.427 -1.844
319 HA LEU 44 HA LEU 44 39.197 5.069 -2.855
320 HG LEU 44 HG LEU 44 37.806 6.182 -4.964
321 HB2 LEU 44 HB2 LEU 44 36.272 5.231 -2.572
322 HB3 LEU 44 HB3 LEU 44 37.072 6.777 -2.842
323 HD11 LEU 44 HD11 LEU 44 37.633 3.736 -5.731
324 HD12 LEU 44 HD12 LEU 44 37.531 3.355 -4.011
325 HD13 LEU 44 HD13 LEU 44 38.952 4.182 -4.650
326 HD21 LEU 44 HD21 LEU 44 35.186 4.743 -4.559
327 HD22 LEU 44 HD22 LEU 44 35.872 5.171 -6.126
328 HD23 LEU 44 HD23 LEU 44 35.406 6.439 -4.992
329 H ASP 45 H ASP 45 37.388 5.555 0.128
330 HA ASP 45 HA ASP 45 37.813 8.079 0.873
331 HB2 ASP 45 HB2 ASP 45 37.426 5.630 2.248
332 HB3 ASP 45 HB3 ASP 45 38.702 6.500 3.093
333 H THR 46 H THR 46 40.306 5.563 1.364
334 HA THR 46 HA THR 46 42.275 7.659 1.833
335 HB THR 46 HB THR 46 42.617 6.017 3.418
336 HG1 THR 46 HG1 THR 46 44.379 4.622 2.529
337 HG21 THR 46 HG21 THR 46 41.022 4.385 2.702
338 HG22 THR 46 HG22 THR 46 42.577 3.592 2.957
339 HG23 THR 46 HG23 THR 46 42.024 3.947 1.319
340 H ILE 47 H ILE 47 41.796 4.899 -0.350
341 HA ILE 47 HA ILE 47 44.110 5.397 -1.894
342 HB ILE 47 HB ILE 47 41.656 3.998 -2.925
343 HG12 ILE 47 HG12 ILE 47 43.784 2.880 -1.086
344 HG13 ILE 47 HG13 ILE 47 42.089 3.123 -0.679
345 HG21 ILE 47 HG21 ILE 47 43.590 2.545 -3.876
346 HG22 ILE 47 HG22 ILE 47 44.579 3.963 -3.529
347 HG23 ILE 47 HG23 ILE 47 43.208 4.092 -4.629
348 HD11 ILE 47 HD11 ILE 47 43.295 0.846 -1.776
349 HD12 ILE 47 HD12 ILE 47 42.270 1.531 -3.036
350 HD13 ILE 47 HD13 ILE 47 41.582 1.126 -1.465
351 H GLN 48 H GLN 48 41.663 7.466 -1.560
352 HA GLN 48 HA GLN 48 41.943 8.432 -4.320
353 HB2 GLN 48 HB2 GLN 48 39.690 7.351 -3.866
354 HB3 GLN 48 HB3 GLN 48 39.376 8.682 -2.759
355 HG2 GLN 48 HG2 GLN 48 38.624 8.701 -5.313
356 HG3 GLN 48 HG3 GLN 48 39.031 10.165 -4.419
357 HE21 GLN 48 HE21 GLN 48 40.817 7.604 -6.132
358 HE22 GLN 48 HE22 GLN 48 41.809 8.686 -7.054
359 H TYR 49 H TYR 49 42.654 8.999 -1.225
360 HA TYR 49 HA TYR 49 41.911 11.451 -0.398
361 HD1 TYR 49 HD2 TYR 49 44.432 8.779 -1.654
362 HD2 TYR 49 HD1 TYR 49 46.305 12.025 0.360
363 HE1 TYR 49 HE2 TYR 49 46.566 8.194 -2.718
364 HE2 TYR 49 HE1 TYR 49 48.448 11.451 -0.703
365 HH TYR 49 HH TYR 49 49.207 8.692 -1.954
366 HB2 TYR 49 HB2 TYR 49 44.055 11.680 0.691
367 HB3 TYR 49 HB3 TYR 49 43.600 9.972 0.710
368 H SER 50 H SER 50 43.147 13.561 -0.508
369 HA SER 50 HA SER 50 44.110 14.064 -3.244
370 HG SER 50 HG SER 50 42.860 16.646 -1.006
371 HB2 SER 50 HB2 SER 50 42.995 16.256 -3.209
372 HB3 SER 50 HB3 SER 50 41.830 14.945 -3.023
373 H LYS 51 H LYS 51 46.104 13.570 -1.867
374 HA LYS 51 HA LYS 51 47.023 15.674 -0.133
375 HB2 LYS 51 HB2 LYS 51 47.678 13.337 0.242
376 HB3 LYS 51 HB3 LYS 51 48.485 13.307 -1.319
377 HG2 LYS 51 HG2 LYS 51 50.343 14.094 -0.415
378 HG3 LYS 51 HG3 LYS 51 49.484 15.502 0.212
379 HD2 LYS 51 HD2 LYS 51 49.388 14.658 2.288
380 HD3 LYS 51 HD3 LYS 51 48.971 13.044 1.710
381 HE2 LYS 51 HE2 LYS 51 51.204 12.438 1.424
382 HE3 LYS 51 HE3 LYS 51 51.753 14.113 1.407
383 HZ1 LYS 51 HZ1 LYS 51 51.983 14.109 3.607
384 HZ2 LYS 51 HZ2 LYS 51 51.804 12.428 3.549
385 HZ3 LYS 51 HZ3 LYS 51 50.463 13.410 3.863
386 H HIS 52 H HIS 52 48.156 17.437 -0.693
387 HA HIS 52 HA HIS 52 48.705 17.931 -3.480
388 HD1 HIS 52 HD1 HIS 52 47.530 21.836 -1.205
389 HD2 HIS 52 HD2 HIS 52 46.437 18.450 -3.349
390 HE1 HIS 52 HE1 HIS 52 45.086 22.124 -1.786
391 HB2 HIS 52 HB2 HIS 52 49.148 19.601 -0.999
392 HB3 HIS 52 HB3 HIS 52 49.531 20.150 -2.631
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 40.524 9.025 14.348
2 H2 GLY 1 2H GLY 1 40.538 9.928 15.778
3 H3 GLY 1 3H GLY 1 39.909 10.602 14.360
4 HA2 GLY 1 HA2 GLY 1 38.622 8.990 16.318
5 HA3 GLY 1 HA3 GLY 1 37.913 9.949 15.027
6 H SER 2 H SER 2 39.324 6.824 15.829
7 HA SER 2 HA SER 2 38.268 5.687 13.345
8 HG SER 2 HG SER 2 39.841 3.011 15.512
9 HB2 SER 2 HB2 SER 2 40.305 4.700 13.469
10 HB3 SER 2 HB3 SER 2 40.445 4.988 15.203
11 HA PRO 3 HA PRO 3 35.025 4.036 16.006
12 HB2 PRO 3 HB2 PRO 3 33.035 4.389 14.224
13 HB3 PRO 3 HB3 PRO 3 33.720 5.735 15.139
14 HG2 PRO 3 HG2 PRO 3 33.950 5.136 12.288
15 HG3 PRO 3 HG3 PRO 3 34.333 6.636 13.147
16 HD2 PRO 3 HD2 PRO 3 36.112 4.471 12.313
17 HD3 PRO 3 HD3 PRO 3 36.529 6.105 12.856
18 HA PRO 4 HA PRO 4 34.422 0.018 14.210
19 HB2 PRO 4 HB2 PRO 4 32.080 -0.744 15.288
20 HB3 PRO 4 HB3 PRO 4 33.527 -0.498 16.270
21 HG2 PRO 4 HG2 PRO 4 31.106 1.181 16.022
22 HG3 PRO 4 HG3 PRO 4 32.234 1.024 17.377
23 HD2 PRO 4 HD2 PRO 4 32.151 3.090 15.421
24 HD3 PRO 4 HD3 PRO 4 33.363 2.860 16.695
25 H GLU 5 H GLU 5 33.362 2.323 12.587
26 HA GLU 5 HA GLU 5 31.136 0.983 11.215
27 HB2 GLU 5 HB2 GLU 5 30.575 3.219 11.892
28 HB3 GLU 5 HB3 GLU 5 32.058 3.859 11.196
29 HG2 GLU 5 HG2 GLU 5 30.459 2.448 9.238
30 HG3 GLU 5 HG3 GLU 5 29.571 3.767 10.000
31 H ALA 6 H ALA 6 33.771 0.010 10.861
32 HA ALA 6 HA ALA 6 34.976 -0.823 9.103
33 HB1 ALA 6 HB1 ALA 6 33.610 0.987 7.160
34 HB2 ALA 6 HB2 ALA 6 32.737 -0.375 7.861
35 HB3 ALA 6 HB3 ALA 6 34.211 -0.656 6.935
36 H ASP 7 H ASP 7 36.358 0.785 10.532
37 HA ASP 7 HA ASP 7 37.530 2.787 8.722
38 HB2 ASP 7 HB2 ASP 7 36.737 2.958 11.482
39 HB3 ASP 7 HB3 ASP 7 38.456 3.311 11.314
40 HA PRO 8 HA PRO 8 41.440 0.936 10.929
41 HB2 PRO 8 HB2 PRO 8 40.874 -1.270 12.518
42 HB3 PRO 8 HB3 PRO 8 41.173 0.366 13.115
43 HG2 PRO 8 HG2 PRO 8 38.574 -1.028 12.625
44 HG3 PRO 8 HG3 PRO 8 39.036 0.050 13.956
45 HD2 PRO 8 HD2 PRO 8 37.504 0.918 11.950
46 HD3 PRO 8 HD3 PRO 8 38.749 1.964 12.665
47 H ARG 9 H ARG 9 39.020 -1.693 10.714
48 HA ARG 9 HA ARG 9 40.605 -3.596 9.512
49 HE ARG 9 HE ARG 9 37.427 -4.805 13.433
50 HB2 ARG 9 HB2 ARG 9 37.658 -3.039 9.325
51 HB3 ARG 9 HB3 ARG 9 38.380 -4.363 8.421
52 HG2 ARG 9 HG2 ARG 9 38.248 -5.653 10.209
53 HG3 ARG 9 HG3 ARG 9 39.305 -4.548 11.090
54 HD2 ARG 9 HD2 ARG 9 37.386 -3.224 11.777
55 HD3 ARG 9 HD3 ARG 9 36.310 -4.265 10.839
56 HH11 ARG 9 HH11 ARG 9 36.095 -6.213 10.538
57 HH12 ARG 9 HH12 ARG 9 35.625 -7.687 11.317
58 HH21 ARG 9 HH21 ARG 9 36.806 -6.740 14.468
59 HH22 ARG 9 HH22 ARG 9 36.027 -7.985 13.550
60 H LEU 10 H LEU 10 39.035 -0.827 8.037
61 HA LEU 10 HA LEU 10 39.682 -1.703 5.359
62 HG LEU 10 HG LEU 10 36.481 0.057 5.295
63 HB2 LEU 10 HB2 LEU 10 38.305 0.660 6.547
64 HB3 LEU 10 HB3 LEU 10 38.977 0.812 4.925
65 HD11 LEU 10 HD11 LEU 10 37.664 0.292 3.135
66 HD12 LEU 10 HD12 LEU 10 36.525 -1.054 3.163
67 HD13 LEU 10 HD13 LEU 10 38.256 -1.359 3.316
68 HD21 LEU 10 HD21 LEU 10 36.848 -1.798 6.739
69 HD22 LEU 10 HD22 LEU 10 38.051 -2.486 5.649
70 HD23 LEU 10 HD23 LEU 10 36.354 -2.442 5.175
71 H ILE 11 H ILE 11 40.665 1.071 7.389
72 HA ILE 11 HA ILE 11 42.516 2.318 5.936
73 HB ILE 11 HB ILE 11 42.886 1.421 8.791
74 HG12 ILE 11 HG12 ILE 11 40.988 3.022 7.989
75 HG13 ILE 11 HG13 ILE 11 41.941 3.459 9.412
76 HG21 ILE 11 HG21 ILE 11 45.025 2.030 8.554
77 HG22 ILE 11 HG22 ILE 11 44.416 3.681 8.460
78 HG23 ILE 11 HG23 ILE 11 44.728 2.771 6.981
79 HD11 ILE 11 HD11 ILE 11 42.212 4.541 6.620
80 HD12 ILE 11 HD12 ILE 11 43.361 4.867 7.919
81 HD13 ILE 11 HD13 ILE 11 41.686 5.400 8.067
82 H GLU 12 H GLU 12 43.059 -0.824 7.491
83 HA GLU 12 HA GLU 12 45.725 -1.072 6.514
84 HB2 GLU 12 HB2 GLU 12 43.779 -3.063 7.681
85 HB3 GLU 12 HB3 GLU 12 45.391 -3.523 7.150
86 HG2 GLU 12 HG2 GLU 12 46.330 -2.746 9.005
87 HG3 GLU 12 HG3 GLU 12 45.441 -1.226 8.914
88 H SER 13 H SER 13 42.616 -2.439 5.577
89 HA SER 13 HA SER 13 43.586 -3.782 3.266
90 HG SER 13 HG SER 13 42.137 -4.880 4.806
91 HB2 SER 13 HB2 SER 13 40.790 -2.703 3.716
92 HB3 SER 13 HB3 SER 13 41.261 -3.995 2.611
93 H LEU 14 H LEU 14 43.267 -0.545 4.049
94 HA LEU 14 HA LEU 14 42.713 0.452 1.385
95 HG LEU 14 HG LEU 14 41.352 2.903 2.070
96 HB2 LEU 14 HB2 LEU 14 43.115 1.625 4.078
97 HB3 LEU 14 HB3 LEU 14 43.523 2.644 2.702
98 HD11 LEU 14 HD11 LEU 14 39.604 1.094 2.875
99 HD12 LEU 14 HD12 LEU 14 41.047 0.083 2.947
100 HD13 LEU 14 HD13 LEU 14 40.586 0.855 1.430
101 HD21 LEU 14 HD21 LEU 14 40.828 2.078 4.916
102 HD22 LEU 14 HD22 LEU 14 39.962 3.276 3.955
103 HD23 LEU 14 HD23 LEU 14 41.617 3.592 4.472
104 H SER 15 H SER 15 45.491 0.101 3.511
105 HA SER 15 HA SER 15 47.368 1.537 2.021
106 HG SER 15 HG SER 15 49.685 1.096 3.745
107 HB2 SER 15 HB2 SER 15 47.405 -0.318 4.239
108 HB3 SER 15 HB3 SER 15 48.730 -0.670 3.130
109 H GLN 16 H GLN 16 45.762 -1.365 1.462
110 HA GLN 16 HA GLN 16 47.538 -2.787 -0.169
111 HB2 GLN 16 HB2 GLN 16 44.526 -2.665 -0.099
112 HB3 GLN 16 HB3 GLN 16 45.401 -3.745 -1.172
113 HG2 GLN 16 HG2 GLN 16 46.594 -4.416 1.098
114 HG3 GLN 16 HG3 GLN 16 45.062 -3.851 1.764
115 HE21 GLN 16 HE21 GLN 16 43.362 -4.625 -0.294
116 HE22 GLN 16 HE22 GLN 16 43.301 -6.357 -0.346
117 H MET 17 H MET 17 45.296 -0.166 -0.877
118 HA MET 17 HA MET 17 46.051 -0.209 -3.698
119 HB2 MET 17 HB2 MET 17 44.344 1.986 -3.135
120 HB3 MET 17 HB3 MET 17 43.979 0.516 -4.025
121 HG2 MET 17 HG2 MET 17 43.521 -0.550 -1.760
122 HG3 MET 17 HG3 MET 17 43.554 1.091 -1.111
123 HE1 MET 17 HE1 MET 17 40.747 0.974 -4.655
124 HE2 MET 17 HE2 MET 17 42.276 0.095 -4.662
125 HE3 MET 17 HE3 MET 17 42.267 1.844 -4.446
126 H LEU 18 H LEU 18 46.262 1.864 -0.839
127 HA LEU 18 HA LEU 18 47.450 4.083 -2.096
128 HG LEU 18 HG LEU 18 46.737 5.702 0.954
129 HB2 LEU 18 HB2 LEU 18 47.149 3.101 0.688
130 HB3 LEU 18 HB3 LEU 18 48.425 4.278 0.403
131 HD11 LEU 18 HD11 LEU 18 45.903 6.803 -0.939
132 HD12 LEU 18 HD12 LEU 18 45.873 5.320 -1.894
133 HD13 LEU 18 HD13 LEU 18 47.414 6.062 -1.466
134 HD21 LEU 18 HD21 LEU 18 45.071 3.415 0.317
135 HD22 LEU 18 HD22 LEU 18 44.337 4.941 -0.177
136 HD23 LEU 18 HD23 LEU 18 44.827 4.701 1.500
137 H SER 19 H SER 19 48.648 1.014 -1.713
138 HA SER 19 HA SER 19 51.435 1.802 -1.395
139 HG SER 19 HG SER 19 52.753 -0.790 -0.942
140 HB2 SER 19 HB2 SER 19 50.852 -0.209 -0.223
141 HB3 SER 19 HB3 SER 19 50.093 -0.896 -1.659
142 H MET 20 H MET 20 49.172 1.467 -3.845
143 HA MET 20 HA MET 20 51.259 1.035 -5.876
144 HB2 MET 20 HB2 MET 20 48.698 -0.161 -5.537
145 HB3 MET 20 HB3 MET 20 48.645 0.815 -6.998
146 HG2 MET 20 HG2 MET 20 49.284 -1.463 -7.506
147 HG3 MET 20 HG3 MET 20 50.611 -0.347 -7.855
148 HE1 MET 20 HE1 MET 20 50.700 -4.054 -5.486
149 HE2 MET 20 HE2 MET 20 49.431 -3.382 -6.510
150 HE3 MET 20 HE3 MET 20 49.476 -2.993 -4.790
151 H GLY 21 H GLY 21 48.855 3.208 -4.655
152 HA2 GLY 21 HA2 GLY 21 48.621 5.464 -5.127
153 HA3 GLY 21 HA3 GLY 21 49.801 5.286 -6.415
154 H PHE 22 H PHE 22 46.658 3.684 -5.879
155 HA PHE 22 HA PHE 22 45.318 5.152 -7.909
156 HD1 PHE 22 HD2 PHE 22 44.212 4.537 -10.611
157 HD2 PHE 22 HD1 PHE 22 45.140 0.796 -8.807
158 HE1 PHE 22 HE2 PHE 22 42.324 3.500 -11.800
159 HE2 PHE 22 HE1 PHE 22 43.257 -0.249 -9.994
160 HZ PHE 22 HZ PHE 22 41.845 1.104 -11.492
161 HB2 PHE 22 HB2 PHE 22 46.447 4.045 -9.594
162 HB3 PHE 22 HB3 PHE 22 46.653 2.582 -8.639
163 H SER 23 H SER 23 43.151 4.173 -8.411
164 HA SER 23 HA SER 23 42.003 3.200 -5.961
165 HG SER 23 HG SER 23 41.506 5.553 -6.927
166 HB2 SER 23 HB2 SER 23 40.458 3.463 -8.521
167 HB3 SER 23 HB3 SER 23 39.925 3.755 -6.862
168 H ASP 24 H ASP 24 39.837 1.734 -7.231
169 HA ASP 24 HA ASP 24 41.250 -0.711 -8.056
170 HB2 ASP 24 HB2 ASP 24 40.731 -1.219 -5.832
171 HB3 ASP 24 HB3 ASP 24 39.186 -0.366 -5.899
172 H GLU 25 H GLU 25 40.692 -0.863 -10.140
173 HA GLU 25 HA GLU 25 37.820 -0.737 -10.793
174 HB2 GLU 25 HB2 GLU 25 39.202 1.074 -11.825
175 HB3 GLU 25 HB3 GLU 25 40.116 -0.166 -12.674
176 HG2 GLU 25 HG2 GLU 25 38.575 -0.341 -14.253
177 HG3 GLU 25 HG3 GLU 25 37.278 -0.498 -13.069
178 H GLY 26 H GLY 26 40.907 -2.306 -11.548
179 HA2 GLY 26 HA2 GLY 26 39.972 -4.245 -13.328
180 HA3 GLY 26 HA3 GLY 26 41.389 -4.424 -12.294
181 H GLY 27 H GLY 27 40.451 -4.556 -9.805
182 HA2 GLY 27 HA2 GLY 27 38.362 -5.677 -8.790
183 HA3 GLY 27 HA3 GLY 27 38.791 -6.986 -9.880
184 H TRP 28 H TRP 28 41.712 -6.016 -9.234
185 HA TRP 28 HA TRP 28 42.543 -8.068 -7.669
186 HD1 TRP 28 HD1 TRP 28 43.221 -4.215 -9.657
187 HE1 TRP 28 HE1 TRP 28 43.354 -1.845 -8.662
188 HE3 TRP 28 HE3 TRP 28 44.462 -5.425 -4.848
189 HZ2 TRP 28 HZ2 TRP 28 43.915 -0.649 -6.165
190 HZ3 TRP 28 HZ3 TRP 28 44.779 -3.610 -3.220
191 HH2 TRP 28 HH2 TRP 28 44.512 -1.276 -3.868
192 HB2 TRP 28 HB2 TRP 28 44.513 -6.702 -7.063
193 HB3 TRP 28 HB3 TRP 28 44.108 -6.575 -8.778
194 H LEU 29 H LEU 29 40.799 -5.284 -6.594
195 HA LEU 29 HA LEU 29 41.431 -5.767 -3.795
196 HG LEU 29 HG LEU 29 41.955 -3.897 -2.983
197 HB2 LEU 29 HB2 LEU 29 40.505 -3.546 -5.300
198 HB3 LEU 29 HB3 LEU 29 39.260 -3.940 -4.118
199 HD11 LEU 29 HD11 LEU 29 42.008 -2.114 -4.802
200 HD12 LEU 29 HD12 LEU 29 42.420 -1.614 -3.162
201 HD13 LEU 29 HD13 LEU 29 40.825 -1.249 -3.820
202 HD21 LEU 29 HD21 LEU 29 40.512 -2.135 -1.573
203 HD22 LEU 29 HD22 LEU 29 40.412 -3.879 -1.333
204 HD23 LEU 29 HD23 LEU 29 39.205 -3.054 -2.318
205 H THR 30 H THR 30 38.554 -5.765 -5.887
206 HA THR 30 HA THR 30 36.567 -6.556 -4.267
207 HB THR 30 HB THR 30 37.266 -7.491 -7.035
208 HG1 THR 30 HG1 THR 30 35.145 -5.920 -5.999
209 HG21 THR 30 HG21 THR 30 35.396 -8.800 -5.285
210 HG22 THR 30 HG22 THR 30 35.890 -9.217 -6.925
211 HG23 THR 30 HG23 THR 30 34.576 -8.071 -6.666
212 H ARG 31 H ARG 31 39.351 -8.446 -5.075
213 HA ARG 31 HA ARG 31 38.441 -11.000 -4.342
214 HE ARG 31 HE ARG 31 41.432 -14.138 -5.188
215 HB2 ARG 31 HB2 ARG 31 41.002 -9.732 -4.866
216 HB3 ARG 31 HB3 ARG 31 41.118 -10.898 -3.556
217 HG2 ARG 31 HG2 ARG 31 40.247 -11.373 -6.387
218 HG3 ARG 31 HG3 ARG 31 41.623 -12.071 -5.531
219 HD2 ARG 31 HD2 ARG 31 39.251 -12.665 -4.071
220 HD3 ARG 31 HD3 ARG 31 38.988 -13.089 -5.765
221 HH11 ARG 31 HH11 ARG 31 38.258 -14.424 -3.778
222 HH12 ARG 31 HH12 ARG 31 38.514 -16.042 -3.216
223 HH21 ARG 31 HH21 ARG 31 41.778 -16.264 -4.450
224 HH22 ARG 31 HH22 ARG 31 40.515 -17.088 -3.599
225 H LEU 32 H LEU 32 40.373 -8.711 -2.424
226 HA LEU 32 HA LEU 32 39.796 -10.123 0.016
227 HG LEU 32 HG LEU 32 40.308 -8.168 1.927
228 HB2 LEU 32 HB2 LEU 32 41.942 -9.270 -0.011
229 HB3 LEU 32 HB3 LEU 32 41.444 -7.750 -0.729
230 HD11 LEU 32 HD11 LEU 32 43.185 -8.592 1.492
231 HD12 LEU 32 HD12 LEU 32 42.149 -9.096 2.826
232 HD13 LEU 32 HD13 LEU 32 42.768 -7.445 2.765
233 HD21 LEU 32 HD21 LEU 32 40.901 -6.063 0.236
234 HD22 LEU 32 HD22 LEU 32 42.091 -5.913 1.528
235 HD23 LEU 32 HD23 LEU 32 40.371 -5.940 1.912
236 H LEU 33 H LEU 33 39.395 -6.622 -0.734
237 HA LEU 33 HA LEU 33 37.811 -5.943 1.347
238 HG LEU 33 HG LEU 33 37.568 -2.615 -0.002
239 HB2 LEU 33 HB2 LEU 33 38.809 -4.696 -0.855
240 HB3 LEU 33 HB3 LEU 33 37.077 -4.589 -1.134
241 HD11 LEU 33 HD11 LEU 33 36.736 -4.619 2.091
242 HD12 LEU 33 HD12 LEU 33 35.675 -3.700 1.024
243 HD13 LEU 33 HD13 LEU 33 36.615 -2.869 2.262
244 HD21 LEU 33 HD21 LEU 33 38.883 -2.920 2.293
245 HD22 LEU 33 HD22 LEU 33 39.706 -2.647 0.757
246 HD23 LEU 33 HD23 LEU 33 39.569 -4.281 1.407
247 H GLN 34 H GLN 34 36.695 -8.193 -0.900
248 HA GLN 34 HA GLN 34 33.943 -7.254 -0.683
249 HB2 GLN 34 HB2 GLN 34 34.988 -8.197 -2.853
250 HB3 GLN 34 HB3 GLN 34 34.728 -9.772 -2.108
251 HG2 GLN 34 HG2 GLN 34 32.853 -9.327 -3.487
252 HG3 GLN 34 HG3 GLN 34 32.327 -9.120 -1.808
253 HE21 GLN 34 HE21 GLN 34 32.132 -6.970 -0.987
254 HE22 GLN 34 HE22 GLN 34 31.793 -5.647 -2.063
255 H THR 35 H THR 35 36.041 -9.025 1.078
256 HA THR 35 HA THR 35 34.589 -11.290 1.880
257 HB THR 35 HB THR 35 36.431 -9.763 3.705
258 HG1 THR 35 HG1 THR 35 37.103 -11.407 1.497
259 HG21 THR 35 HG21 THR 35 35.593 -11.654 4.803
260 HG22 THR 35 HG22 THR 35 37.192 -12.117 4.220
261 HG23 THR 35 HG23 THR 35 35.749 -12.661 3.364
262 H LYS 36 H LYS 36 33.758 -8.087 2.297
263 HA LYS 36 HA LYS 36 32.080 -8.762 4.625
264 HB2 LYS 36 HB2 LYS 36 33.337 -6.121 3.909
265 HB3 LYS 36 HB3 LYS 36 32.099 -6.305 5.147
266 HG2 LYS 36 HG2 LYS 36 33.996 -6.372 6.420
267 HG3 LYS 36 HG3 LYS 36 33.755 -8.091 6.102
268 HD2 LYS 36 HD2 LYS 36 35.533 -8.216 4.670
269 HD3 LYS 36 HD3 LYS 36 35.394 -6.528 4.178
270 HE2 LYS 36 HE2 LYS 36 36.905 -5.901 5.685
271 HE3 LYS 36 HE3 LYS 36 36.015 -6.703 6.979
272 HZ1 LYS 36 HZ1 LYS 36 37.739 -8.231 5.130
273 HZ2 LYS 36 HZ2 LYS 36 37.191 -8.669 6.669
274 HZ3 LYS 36 HZ3 LYS 36 38.380 -7.478 6.503
275 H ASN 37 H ASN 37 32.223 -7.509 1.412
276 HA ASN 37 HA ASN 37 30.494 -7.421 -0.098
277 HB2 ASN 37 HB2 ASN 37 28.587 -7.186 2.240
278 HB3 ASN 37 HB3 ASN 37 28.177 -7.494 0.551
279 HD21 ASN 37 HD21 ASN 37 28.975 -8.867 3.536
280 HD22 ASN 37 HD22 ASN 37 29.108 -10.520 3.013
281 H TYR 38 H TYR 38 31.999 -5.316 1.491
282 HA TYR 38 HA TYR 38 30.378 -3.125 0.504
283 HD1 TYR 38 HD2 TYR 38 33.308 -4.208 2.165
284 HD2 TYR 38 HD1 TYR 38 31.169 -1.987 5.098
285 HE1 TYR 38 HE2 TYR 38 35.112 -4.611 3.774
286 HE2 TYR 38 HE1 TYR 38 32.970 -2.387 6.718
287 HH TYR 38 HH TYR 38 34.805 -4.244 7.003
288 HB2 TYR 38 HB2 TYR 38 30.858 -1.741 2.440
289 HB3 TYR 38 HB3 TYR 38 30.074 -3.231 2.945
290 H ASP 39 H ASP 39 32.390 -4.237 -0.925
291 HA ASP 39 HA ASP 39 34.901 -2.990 -0.514
292 HB2 ASP 39 HB2 ASP 39 34.967 -5.007 -1.696
293 HB3 ASP 39 HB3 ASP 39 33.698 -4.505 -2.814
294 H ILE 40 H ILE 40 35.965 -1.649 -2.031
295 HA ILE 40 HA ILE 40 36.302 0.384 -2.967
296 HB ILE 40 HB ILE 40 34.823 1.010 -4.889
297 HG12 ILE 40 HG12 ILE 40 33.480 -1.630 -4.250
298 HG13 ILE 40 HG13 ILE 40 32.732 -0.034 -4.112
299 HG21 ILE 40 HG21 ILE 40 36.809 -0.230 -5.293
300 HG22 ILE 40 HG22 ILE 40 35.527 -0.955 -6.264
301 HG23 ILE 40 HG23 ILE 40 36.050 -1.734 -4.770
302 HD11 ILE 40 HD11 ILE 40 32.159 -0.070 -6.245
303 HD12 ILE 40 HD12 ILE 40 32.746 -1.731 -6.327
304 HD13 ILE 40 HD13 ILE 40 33.821 -0.394 -6.739
305 H GLY 41 H GLY 41 32.780 0.164 -2.300
306 HA2 GLY 41 HA2 GLY 41 32.289 2.879 -2.050
307 HA3 GLY 41 HA3 GLY 41 31.405 1.626 -1.178
308 H ALA 42 H ALA 42 34.084 0.797 -0.056
309 HA ALA 42 HA ALA 42 34.096 2.739 2.153
310 HB1 ALA 42 HB1 ALA 42 35.285 -0.030 2.142
311 HB2 ALA 42 HB2 ALA 42 33.639 0.332 2.658
312 HB3 ALA 42 HB3 ALA 42 35.008 1.016 3.535
313 H ALA 43 H ALA 43 36.409 0.653 0.436
314 HA ALA 43 HA ALA 43 38.702 2.092 1.209
315 HB1 ALA 43 HB1 ALA 43 38.109 0.022 -0.850
316 HB2 ALA 43 HB2 ALA 43 39.191 -0.047 0.540
317 HB3 ALA 43 HB3 ALA 43 39.659 0.863 -0.896
318 H LEU 44 H LEU 44 37.012 2.041 -1.939
319 HA LEU 44 HA LEU 44 38.404 3.669 -3.492
320 HG LEU 44 HG LEU 44 36.148 5.494 -4.988
321 HB2 LEU 44 HB2 LEU 44 36.012 2.763 -3.795
322 HB3 LEU 44 HB3 LEU 44 35.495 4.307 -3.125
323 HD11 LEU 44 HD11 LEU 44 37.776 4.601 -6.672
324 HD12 LEU 44 HD12 LEU 44 38.092 3.268 -5.560
325 HD13 LEU 44 HD13 LEU 44 38.455 4.925 -5.077
326 HD21 LEU 44 HD21 LEU 44 35.710 2.844 -6.328
327 HD22 LEU 44 HD22 LEU 44 35.212 4.449 -6.864
328 HD23 LEU 44 HD23 LEU 44 34.412 3.692 -5.487
329 H ASP 45 H ASP 45 36.073 5.060 -1.170
330 HA ASP 45 HA ASP 45 36.531 7.703 -1.526
331 HB2 ASP 45 HB2 ASP 45 35.177 6.222 0.326
332 HB3 ASP 45 HB3 ASP 45 36.409 6.996 1.319
333 H THR 46 H THR 46 38.851 5.474 -0.223
334 HA THR 46 HA THR 46 40.385 7.574 1.034
335 HB THR 46 HB THR 46 42.018 5.793 1.561
336 HG1 THR 46 HG1 THR 46 41.928 3.933 0.603
337 HG21 THR 46 HG21 THR 46 39.431 6.003 2.588
338 HG22 THR 46 HG22 THR 46 40.835 5.246 3.341
339 HG23 THR 46 HG23 THR 46 39.726 4.279 2.369
340 H ILE 47 H ILE 47 40.895 5.396 -1.726
341 HA ILE 47 HA ILE 47 43.315 6.664 -2.530
342 HB ILE 47 HB ILE 47 42.722 5.591 -4.794
343 HG12 ILE 47 HG12 ILE 47 40.243 5.407 -3.847
344 HG13 ILE 47 HG13 ILE 47 40.878 4.256 -5.006
345 HG21 ILE 47 HG21 ILE 47 43.290 3.308 -3.898
346 HG22 ILE 47 HG22 ILE 47 43.189 4.005 -2.280
347 HG23 ILE 47 HG23 ILE 47 44.382 4.609 -3.429
348 HD11 ILE 47 HD11 ILE 47 39.883 3.824 -2.357
349 HD12 ILE 47 HD12 ILE 47 41.529 3.216 -2.488
350 HD13 ILE 47 HD13 ILE 47 40.291 2.651 -3.604
351 H GLN 48 H GLN 48 40.132 7.692 -2.514
352 HA GLN 48 HA GLN 48 40.653 9.632 -4.680
353 HB2 GLN 48 HB2 GLN 48 38.574 7.782 -4.526
354 HB3 GLN 48 HB3 GLN 48 37.840 9.304 -4.043
355 HG2 GLN 48 HG2 GLN 48 37.747 8.721 -6.498
356 HG3 GLN 48 HG3 GLN 48 38.343 10.328 -6.087
357 HE21 GLN 48 HE21 GLN 48 39.177 7.176 -7.298
358 HE22 GLN 48 HE22 GLN 48 40.737 7.607 -7.920
359 H TYR 49 H TYR 49 41.662 10.529 -2.503
360 HA TYR 49 HA TYR 49 40.031 11.670 -0.544
361 HD1 TYR 49 HD1 TYR 49 41.547 11.159 1.583
362 HD2 TYR 49 HD2 TYR 49 44.129 10.930 -1.790
363 HE1 TYR 49 HE1 TYR 49 42.691 9.233 2.598
364 HE2 TYR 49 HE2 TYR 49 45.281 9.001 -0.785
365 HH TYR 49 HH TYR 49 45.147 8.207 2.336
366 HB2 TYR 49 HB2 TYR 49 42.663 12.737 -1.599
367 HB3 TYR 49 HB3 TYR 49 41.931 13.120 -0.036
368 H SER 50 H SER 50 40.577 12.554 -3.813
369 HA SER 50 HA SER 50 39.699 14.168 -5.148
370 HG SER 50 HG SER 50 36.655 15.423 -4.842
371 HB2 SER 50 HB2 SER 50 37.547 13.618 -4.216
372 HB3 SER 50 HB3 SER 50 37.882 14.557 -2.761
373 H LYS 51 H LYS 51 38.894 16.079 -2.336
374 HA LYS 51 HA LYS 51 41.267 17.754 -2.756
375 HB2 LYS 51 HB2 LYS 51 38.858 18.473 -3.781
376 HB3 LYS 51 HB3 LYS 51 38.762 19.206 -2.187
377 HG2 LYS 51 HG2 LYS 51 41.119 20.139 -2.775
378 HG3 LYS 51 HG3 LYS 51 40.627 19.798 -4.435
379 HD2 LYS 51 HD2 LYS 51 38.832 21.299 -4.332
380 HD3 LYS 51 HD3 LYS 51 38.863 21.350 -2.569
381 HE2 LYS 51 HE2 LYS 51 41.032 22.503 -2.660
382 HE3 LYS 51 HE3 LYS 51 40.960 22.479 -4.421
383 HZ1 LYS 51 HZ1 LYS 51 39.898 24.406 -4.279
384 HZ2 LYS 51 HZ2 LYS 51 39.745 24.290 -2.598
385 HZ3 LYS 51 HZ3 LYS 51 38.580 23.587 -3.604
386 H HIS 52 H HIS 52 42.100 18.682 -0.936
387 HA HIS 52 HA HIS 52 41.215 17.631 1.586
388 HD1 HIS 52 HD1 HIS 52 44.579 20.166 3.342
389 HD2 HIS 52 HD2 HIS 52 42.332 16.673 3.451
390 HE1 HIS 52 HE1 HIS 52 44.759 19.279 5.704
391 HB2 HIS 52 HB2 HIS 52 43.638 18.070 0.859
392 HB3 HIS 52 HB3 HIS 52 43.307 19.768 1.209
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 30.852 8.549 4.538
2 H2 GLY 1 2H GLY 1 31.505 10.086 4.802
3 H3 GLY 1 3H GLY 1 29.842 9.904 4.559
4 HA2 GLY 1 HA2 GLY 1 30.549 10.274 6.924
5 HA3 GLY 1 HA3 GLY 1 29.506 8.892 6.626
6 H SER 2 H SER 2 30.359 8.126 8.681
7 HA SER 2 HA SER 2 33.094 7.065 8.517
8 HG SER 2 HG SER 2 32.185 9.364 10.704
9 HB2 SER 2 HB2 SER 2 31.254 7.477 10.884
10 HB3 SER 2 HB3 SER 2 32.834 6.700 10.985
11 HA PRO 3 HA PRO 3 31.240 3.052 7.935
12 HB2 PRO 3 HB2 PRO 3 33.497 1.651 7.653
13 HB3 PRO 3 HB3 PRO 3 32.980 2.806 6.419
14 HG2 PRO 3 HG2 PRO 3 35.041 3.122 8.563
15 HG3 PRO 3 HG3 PRO 3 35.104 3.634 6.867
16 HD2 PRO 3 HD2 PRO 3 34.486 5.298 8.978
17 HD3 PRO 3 HD3 PRO 3 33.993 5.583 7.298
18 HA PRO 4 HA PRO 4 31.386 0.799 11.738
19 HB2 PRO 4 HB2 PRO 4 32.115 -1.727 10.435
20 HB3 PRO 4 HB3 PRO 4 30.605 -1.275 11.227
21 HG2 PRO 4 HG2 PRO 4 30.776 -1.581 8.560
22 HG3 PRO 4 HG3 PRO 4 29.711 -0.371 9.301
23 HD2 PRO 4 HD2 PRO 4 32.413 -0.006 8.051
24 HD3 PRO 4 HD3 PRO 4 30.955 0.998 7.893
25 H GLU 5 H GLU 5 33.872 2.043 11.258
26 HA GLU 5 HA GLU 5 35.920 2.045 12.283
27 HB2 GLU 5 HB2 GLU 5 35.684 -0.880 12.906
28 HB3 GLU 5 HB3 GLU 5 36.556 0.370 13.784
29 HG2 GLU 5 HG2 GLU 5 33.976 1.241 13.957
30 HG3 GLU 5 HG3 GLU 5 33.786 -0.510 14.019
31 H ALA 6 H ALA 6 35.330 1.369 9.508
32 HA ALA 6 HA ALA 6 37.554 -0.426 8.840
33 HB1 ALA 6 HB1 ALA 6 35.017 -0.324 7.811
34 HB2 ALA 6 HB2 ALA 6 36.407 -1.080 7.031
35 HB3 ALA 6 HB3 ALA 6 35.950 0.570 6.610
36 H ASP 7 H ASP 7 38.125 2.157 9.839
37 HA ASP 7 HA ASP 7 38.971 3.670 7.479
38 HB2 ASP 7 HB2 ASP 7 38.305 4.356 10.245
39 HB3 ASP 7 HB3 ASP 7 39.789 5.117 9.680
40 HA PRO 8 HA PRO 8 43.207 3.116 9.645
41 HB2 PRO 8 HB2 PRO 8 43.300 1.948 12.090
42 HB3 PRO 8 HB3 PRO 8 43.050 3.684 11.878
43 HG2 PRO 8 HG2 PRO 8 41.044 1.534 12.425
44 HG3 PRO 8 HG3 PRO 8 41.157 3.163 13.118
45 HD2 PRO 8 HD2 PRO 8 39.430 2.516 11.121
46 HD3 PRO 8 HD3 PRO 8 40.126 4.137 11.307
47 H ARG 9 H ARG 9 40.767 0.674 10.037
48 HA ARG 9 HA ARG 9 42.483 -1.592 10.012
49 HE ARG 9 HE ARG 9 37.621 -3.082 9.624
50 HB2 ARG 9 HB2 ARG 9 40.390 -2.214 10.739
51 HB3 ARG 9 HB3 ARG 9 39.569 -1.082 9.676
52 HG2 ARG 9 HG2 ARG 9 39.302 -2.605 8.060
53 HG3 ARG 9 HG3 ARG 9 40.923 -3.268 8.277
54 HD2 ARG 9 HD2 ARG 9 39.475 -5.012 8.874
55 HD3 ARG 9 HD3 ARG 9 40.020 -4.333 10.410
56 HH11 ARG 9 HH11 ARG 9 38.828 -6.130 10.791
57 HH12 ARG 9 HH12 ARG 9 37.341 -6.577 11.558
58 HH21 ARG 9 HH21 ARG 9 35.652 -3.661 10.635
59 HH22 ARG 9 HH22 ARG 9 35.536 -5.175 11.467
60 H LEU 10 H LEU 10 40.223 -0.507 7.469
61 HA LEU 10 HA LEU 10 41.388 -1.917 5.403
62 HG LEU 10 HG LEU 10 38.566 -1.853 5.049
63 HB2 LEU 10 HB2 LEU 10 39.453 0.235 5.687
64 HB3 LEU 10 HB3 LEU 10 40.391 0.380 4.204
65 HD11 LEU 10 HD11 LEU 10 37.399 -1.375 3.082
66 HD12 LEU 10 HD12 LEU 10 38.737 -0.445 2.405
67 HD13 LEU 10 HD13 LEU 10 37.801 0.205 3.751
68 HD21 LEU 10 HD21 LEU 10 39.415 -2.909 2.846
69 HD22 LEU 10 HD22 LEU 10 40.359 -3.125 4.319
70 HD23 LEU 10 HD23 LEU 10 40.854 -1.927 3.124
71 H ILE 11 H ILE 11 42.612 0.815 7.031
72 HA ILE 11 HA ILE 11 44.095 1.999 4.927
73 HB ILE 11 HB ILE 11 44.224 2.126 7.908
74 HG12 ILE 11 HG12 ILE 11 42.851 3.573 6.158
75 HG13 ILE 11 HG13 ILE 11 43.524 4.298 7.621
76 HG21 ILE 11 HG21 ILE 11 46.472 2.251 7.872
77 HG22 ILE 11 HG22 ILE 11 46.196 3.876 7.247
78 HG23 ILE 11 HG23 ILE 11 46.532 2.550 6.133
79 HD11 ILE 11 HD11 ILE 11 45.286 4.301 5.265
80 HD12 ILE 11 HD12 ILE 11 44.995 5.551 6.475
81 HD13 ILE 11 HD13 ILE 11 43.845 5.313 5.160
82 H GLU 12 H GLU 12 44.905 -0.472 7.367
83 HA GLU 12 HA GLU 12 47.556 -0.820 6.358
84 HB2 GLU 12 HB2 GLU 12 45.846 -2.401 8.271
85 HB3 GLU 12 HB3 GLU 12 47.439 -2.960 7.778
86 HG2 GLU 12 HG2 GLU 12 48.515 -1.155 8.817
87 HG3 GLU 12 HG3 GLU 12 47.013 -0.245 8.977
88 H SER 13 H SER 13 44.605 -2.809 6.211
89 HA SER 13 HA SER 13 45.554 -4.795 4.549
90 HG SER 13 HG SER 13 42.606 -6.145 4.749
91 HB2 SER 13 HB2 SER 13 42.920 -3.702 5.232
92 HB3 SER 13 HB3 SER 13 42.985 -4.382 3.606
93 H LEU 14 H LEU 14 45.069 -1.452 3.919
94 HA LEU 14 HA LEU 14 44.872 -1.710 1.059
95 HG LEU 14 HG LEU 14 44.164 0.929 0.093
96 HB2 LEU 14 HB2 LEU 14 44.582 0.381 2.995
97 HB3 LEU 14 HB3 LEU 14 45.737 0.893 1.775
98 HD11 LEU 14 HD11 LEU 14 43.065 -1.371 1.504
99 HD12 LEU 14 HD12 LEU 14 43.071 -0.992 -0.218
100 HD13 LEU 14 HD13 LEU 14 41.830 -0.306 0.832
101 HD21 LEU 14 HD21 LEU 14 43.184 1.852 2.673
102 HD22 LEU 14 HD22 LEU 14 41.893 1.528 1.518
103 HD23 LEU 14 HD23 LEU 14 43.182 2.658 1.104
104 H SER 15 H SER 15 47.377 -1.318 3.440
105 HA SER 15 HA SER 15 49.507 -0.344 2.067
106 HG SER 15 HG SER 15 48.551 -3.028 4.305
107 HB2 SER 15 HB2 SER 15 50.963 -1.840 3.411
108 HB3 SER 15 HB3 SER 15 49.701 -1.098 4.393
109 H GLN 16 H GLN 16 47.811 -3.232 1.537
110 HA GLN 16 HA GLN 16 49.723 -4.593 -0.097
111 HB2 GLN 16 HB2 GLN 16 48.290 -6.267 0.286
112 HB3 GLN 16 HB3 GLN 16 47.138 -5.145 0.988
113 HG2 GLN 16 HG2 GLN 16 47.258 -5.412 -1.977
114 HG3 GLN 16 HG3 GLN 16 46.489 -6.679 -1.027
115 HE21 GLN 16 HE21 GLN 16 44.471 -6.228 -1.893
116 HE22 GLN 16 HE22 GLN 16 43.565 -4.820 -1.440
117 H MET 17 H MET 17 46.879 -2.582 -0.726
118 HA MET 17 HA MET 17 47.595 -2.414 -3.564
119 HB2 MET 17 HB2 MET 17 45.380 -2.836 -3.697
120 HB3 MET 17 HB3 MET 17 45.091 -2.346 -2.040
121 HG2 MET 17 HG2 MET 17 43.877 -0.755 -3.057
122 HG3 MET 17 HG3 MET 17 45.424 0.079 -3.130
123 HE1 MET 17 HE1 MET 17 46.841 0.397 -5.101
124 HE2 MET 17 HE2 MET 17 46.462 -0.043 -6.765
125 HE3 MET 17 HE3 MET 17 47.028 -1.273 -5.636
126 H LEU 18 H LEU 18 46.266 -0.220 -1.074
127 HA LEU 18 HA LEU 18 46.692 2.198 -2.109
128 HG LEU 18 HG LEU 18 48.234 3.336 0.865
129 HB2 LEU 18 HB2 LEU 18 45.713 1.947 0.040
130 HB3 LEU 18 HB3 LEU 18 47.191 1.263 0.703
131 HD11 LEU 18 HD11 LEU 18 46.704 3.959 -1.495
132 HD12 LEU 18 HD12 LEU 18 48.175 4.706 -0.880
133 HD13 LEU 18 HD13 LEU 18 46.601 5.263 -0.312
134 HD21 LEU 18 HD21 LEU 18 45.291 3.672 1.389
135 HD22 LEU 18 HD22 LEU 18 46.494 4.872 1.859
136 HD23 LEU 18 HD23 LEU 18 46.562 3.245 2.535
137 H SER 19 H SER 19 49.223 0.035 -1.124
138 HA SER 19 HA SER 19 51.380 1.470 -0.539
139 HG SER 19 HG SER 19 50.881 -1.078 -3.364
140 HB2 SER 19 HB2 SER 19 52.734 -0.181 -1.497
141 HB3 SER 19 HB3 SER 19 51.203 -1.022 -1.257
142 H MET 20 H MET 20 50.235 1.132 -3.914
143 HA MET 20 HA MET 20 52.079 3.100 -4.882
144 HB2 MET 20 HB2 MET 20 51.482 1.638 -6.572
145 HB3 MET 20 HB3 MET 20 49.811 1.535 -6.038
146 HG2 MET 20 HG2 MET 20 49.296 3.656 -6.994
147 HG3 MET 20 HG3 MET 20 51.001 3.973 -7.336
148 HE1 MET 20 HE1 MET 20 49.515 0.287 -8.051
149 HE2 MET 20 HE2 MET 20 48.501 0.721 -9.429
150 HE3 MET 20 HE3 MET 20 48.182 1.423 -7.843
151 H GLY 21 H GLY 21 48.712 3.039 -3.897
152 HA2 GLY 21 HA2 GLY 21 47.724 4.957 -2.839
153 HA3 GLY 21 HA3 GLY 21 48.744 5.983 -3.833
154 H PHE 22 H PHE 22 46.651 3.260 -4.751
155 HA PHE 22 HA PHE 22 44.881 5.126 -6.145
156 HD1 PHE 22 HD1 PHE 22 43.946 5.297 -8.732
157 HD2 PHE 22 HD2 PHE 22 45.219 1.254 -8.377
158 HE1 PHE 22 HE1 PHE 22 42.164 4.607 -10.282
159 HE2 PHE 22 HE2 PHE 22 43.441 0.554 -9.929
160 HZ PHE 22 HZ PHE 22 41.911 2.234 -10.884
161 HB2 PHE 22 HB2 PHE 22 46.287 4.601 -7.943
162 HB3 PHE 22 HB3 PHE 22 46.491 2.932 -7.420
163 H SER 23 H SER 23 42.784 4.447 -6.324
164 HA SER 23 HA SER 23 42.105 2.066 -4.770
165 HG SER 23 HG SER 23 40.701 5.023 -3.537
166 HB2 SER 23 HB2 SER 23 40.013 3.968 -5.730
167 HB3 SER 23 HB3 SER 23 40.121 3.089 -4.202
168 H ASP 24 H ASP 24 40.354 0.695 -5.511
169 HA ASP 24 HA ASP 24 40.701 -0.026 -8.265
170 HB2 ASP 24 HB2 ASP 24 39.468 -1.977 -7.762
171 HB3 ASP 24 HB3 ASP 24 40.377 -1.621 -6.290
172 H GLU 25 H GLU 25 39.725 1.107 -9.812
173 HA GLU 25 HA GLU 25 37.296 2.554 -9.389
174 HB2 GLU 25 HB2 GLU 25 39.021 3.321 -10.967
175 HB3 GLU 25 HB3 GLU 25 38.745 1.897 -11.960
176 HG2 GLU 25 HG2 GLU 25 37.313 3.142 -13.106
177 HG3 GLU 25 HG3 GLU 25 36.234 2.993 -11.720
178 H GLY 26 H GLY 26 38.170 -0.421 -11.100
179 HA2 GLY 26 HA2 GLY 26 35.394 -0.916 -11.823
180 HA3 GLY 26 HA3 GLY 26 36.785 -1.913 -12.252
181 H GLY 27 H GLY 27 37.659 -3.338 -10.635
182 HA2 GLY 27 HA2 GLY 27 36.512 -3.736 -8.102
183 HA3 GLY 27 HA3 GLY 27 35.681 -4.774 -9.247
184 H TRP 28 H TRP 28 39.042 -4.146 -9.866
185 HA TRP 28 HA TRP 28 39.686 -6.881 -9.737
186 HD1 TRP 28 HD1 TRP 28 40.385 -2.711 -10.538
187 HE1 TRP 28 HE1 TRP 28 41.886 -0.953 -9.401
188 HE3 TRP 28 HE3 TRP 28 43.783 -5.839 -8.343
189 HZ2 TRP 28 HZ2 TRP 28 44.203 -0.902 -7.795
190 HZ3 TRP 28 HZ3 TRP 28 45.614 -4.856 -7.027
191 HH2 TRP 28 HH2 TRP 28 45.815 -2.435 -6.758
192 HB2 TRP 28 HB2 TRP 28 42.022 -6.176 -10.033
193 HB3 TRP 28 HB3 TRP 28 40.943 -5.346 -11.158
194 H LEU 29 H LEU 29 39.391 -4.526 -7.322
195 HA LEU 29 HA LEU 29 40.998 -6.105 -5.434
196 HG LEU 29 HG LEU 29 42.047 -5.148 -3.809
197 HB2 LEU 29 HB2 LEU 29 41.070 -3.436 -5.849
198 HB3 LEU 29 HB3 LEU 29 39.833 -3.516 -4.597
199 HD11 LEU 29 HD11 LEU 29 42.734 -2.584 -5.088
200 HD12 LEU 29 HD12 LEU 29 43.708 -4.034 -4.852
201 HD13 LEU 29 HD13 LEU 29 43.475 -2.902 -3.521
202 HD21 LEU 29 HD21 LEU 29 40.853 -4.387 -2.039
203 HD22 LEU 29 HD22 LEU 29 40.481 -2.846 -2.813
204 HD23 LEU 29 HD23 LEU 29 42.067 -3.108 -2.088
205 H THR 30 H THR 30 37.901 -4.396 -5.722
206 HA THR 30 HA THR 30 36.528 -4.875 -3.530
207 HB THR 30 HB THR 30 35.725 -5.199 -6.385
208 HG1 THR 30 HG1 THR 30 35.765 -3.140 -5.647
209 HG21 THR 30 HG21 THR 30 33.296 -5.218 -5.342
210 HG22 THR 30 HG22 THR 30 34.115 -6.161 -4.095
211 HG23 THR 30 HG23 THR 30 34.145 -6.703 -5.773
212 H ARG 31 H ARG 31 36.916 -7.446 -5.980
213 HA ARG 31 HA ARG 31 35.605 -9.525 -4.895
214 HE ARG 31 HE ARG 31 35.550 -12.342 -8.725
215 HB2 ARG 31 HB2 ARG 31 37.961 -9.251 -6.554
216 HB3 ARG 31 HB3 ARG 31 38.098 -10.659 -5.509
217 HG2 ARG 31 HG2 ARG 31 35.976 -11.507 -6.343
218 HG3 ARG 31 HG3 ARG 31 35.797 -10.080 -7.365
219 HD2 ARG 31 HD2 ARG 31 37.636 -10.696 -8.715
220 HD3 ARG 31 HD3 ARG 31 38.170 -11.919 -7.558
221 HH11 ARG 31 HH11 ARG 31 38.964 -13.015 -8.865
222 HH12 ARG 31 HH12 ARG 31 38.771 -14.466 -9.791
223 HH21 ARG 31 HH21 ARG 31 35.285 -14.253 -9.937
224 HH22 ARG 31 HH22 ARG 31 36.681 -15.167 -10.404
225 H LEU 32 H LEU 32 38.603 -8.153 -3.703
226 HA LEU 32 HA LEU 32 38.704 -10.087 -1.532
227 HG LEU 32 HG LEU 32 42.244 -8.926 -0.817
228 HB2 LEU 32 HB2 LEU 32 40.831 -9.762 -2.483
229 HB3 LEU 32 HB3 LEU 32 40.622 -8.024 -2.563
230 HD11 LEU 32 HD11 LEU 32 40.193 -7.297 0.572
231 HD12 LEU 32 HD12 LEU 32 40.881 -6.649 -0.917
232 HD13 LEU 32 HD13 LEU 32 41.934 -7.055 0.439
233 HD21 LEU 32 HD21 LEU 32 41.554 -10.280 0.809
234 HD22 LEU 32 HD22 LEU 32 40.065 -10.488 -0.112
235 HD23 LEU 32 HD23 LEU 32 40.154 -9.265 1.155
236 H LEU 33 H LEU 33 38.649 -6.543 -1.947
237 HA LEU 33 HA LEU 33 38.500 -5.830 0.713
238 HG LEU 33 HG LEU 33 37.085 -2.518 -0.227
239 HB2 LEU 33 HB2 LEU 33 38.562 -4.352 -1.409
240 HB3 LEU 33 HB3 LEU 33 36.810 -4.476 -1.371
241 HD11 LEU 33 HD11 LEU 33 37.453 -4.552 1.970
242 HD12 LEU 33 HD12 LEU 33 35.916 -4.088 1.239
243 HD13 LEU 33 HD13 LEU 33 36.845 -2.908 2.163
244 HD21 LEU 33 HD21 LEU 33 39.624 -3.631 0.965
245 HD22 LEU 33 HD22 LEU 33 38.972 -2.020 1.263
246 HD23 LEU 33 HD23 LEU 33 39.512 -2.467 -0.355
247 H GLN 34 H GLN 34 35.780 -6.445 -1.487
248 HA GLN 34 HA GLN 34 33.680 -6.150 0.206
249 HB2 GLN 34 HB2 GLN 34 33.511 -6.645 -2.206
250 HB3 GLN 34 HB3 GLN 34 33.941 -8.318 -1.879
251 HG2 GLN 34 HG2 GLN 34 31.616 -8.314 -2.114
252 HG3 GLN 34 HG3 GLN 34 31.904 -8.396 -0.370
253 HE21 GLN 34 HE21 GLN 34 31.949 -6.228 0.736
254 HE22 GLN 34 HE22 GLN 34 30.746 -5.074 0.240
255 H THR 35 H THR 35 36.078 -8.579 0.444
256 HA THR 35 HA THR 35 34.949 -10.794 1.444
257 HB THR 35 HB THR 35 36.866 -10.840 3.149
258 HG1 THR 35 HG1 THR 35 38.357 -9.242 3.013
259 HG21 THR 35 HG21 THR 35 37.662 -12.008 1.433
260 HG22 THR 35 HG22 THR 35 38.559 -10.541 1.043
261 HG23 THR 35 HG23 THR 35 37.023 -10.876 0.242
262 H LYS 36 H LYS 36 34.937 -7.652 3.050
263 HA LYS 36 HA LYS 36 33.746 -8.848 5.436
264 HB2 LYS 36 HB2 LYS 36 34.717 -6.069 4.798
265 HB3 LYS 36 HB3 LYS 36 33.818 -6.440 6.268
266 HG2 LYS 36 HG2 LYS 36 36.410 -6.408 6.307
267 HG3 LYS 36 HG3 LYS 36 35.538 -7.678 7.168
268 HD2 LYS 36 HD2 LYS 36 35.822 -9.129 5.154
269 HD3 LYS 36 HD3 LYS 36 36.854 -7.877 4.463
270 HE2 LYS 36 HE2 LYS 36 37.331 -9.480 6.968
271 HE3 LYS 36 HE3 LYS 36 38.264 -9.519 5.473
272 HZ1 LYS 36 HZ1 LYS 36 38.013 -7.093 7.159
273 HZ2 LYS 36 HZ2 LYS 36 39.091 -7.358 5.883
274 HZ3 LYS 36 HZ3 LYS 36 39.272 -8.213 7.331
275 H ASN 37 H ASN 37 32.823 -7.046 2.613
276 HA ASN 37 HA ASN 37 30.623 -7.060 1.792
277 HB2 ASN 37 HB2 ASN 37 29.697 -6.837 4.662
278 HB3 ASN 37 HB3 ASN 37 28.683 -7.039 3.231
279 HD21 ASN 37 HD21 ASN 37 30.078 -8.960 1.860
280 HD22 ASN 37 HD22 ASN 37 30.046 -10.447 2.760
281 H TYR 38 H TYR 38 32.625 -4.979 3.061
282 HA TYR 38 HA TYR 38 30.829 -2.743 2.521
283 HD1 TYR 38 HD1 TYR 38 34.062 -3.886 3.391
284 HD2 TYR 38 HD2 TYR 38 32.672 -1.836 6.854
285 HE1 TYR 38 HE1 TYR 38 36.165 -4.416 4.543
286 HE2 TYR 38 HE2 TYR 38 34.773 -2.361 8.012
287 HH TYR 38 HH TYR 38 37.196 -4.464 6.569
288 HB2 TYR 38 HB2 TYR 38 31.821 -1.412 4.309
289 HB3 TYR 38 HB3 TYR 38 31.103 -2.886 4.944
290 H ASP 39 H ASP 39 32.250 -3.581 0.495
291 HA ASP 39 HA ASP 39 34.752 -2.093 0.364
292 HB2 ASP 39 HB2 ASP 39 35.248 -3.355 -1.592
293 HB3 ASP 39 HB3 ASP 39 34.584 -4.470 -0.398
294 H ILE 40 H ILE 40 35.263 -0.923 -1.602
295 HA ILE 40 HA ILE 40 34.791 0.410 -3.428
296 HB ILE 40 HB ILE 40 32.298 -0.723 -3.188
297 HG12 ILE 40 HG12 ILE 40 33.149 -0.395 -5.316
298 HG13 ILE 40 HG13 ILE 40 31.833 0.782 -5.264
299 HG21 ILE 40 HG21 ILE 40 32.015 2.252 -2.787
300 HG22 ILE 40 HG22 ILE 40 31.408 0.967 -1.741
301 HG23 ILE 40 HG23 ILE 40 30.713 1.199 -3.346
302 HD11 ILE 40 HD11 ILE 40 34.769 1.209 -5.273
303 HD12 ILE 40 HD12 ILE 40 33.754 2.373 -4.423
304 HD13 ILE 40 HD13 ILE 40 33.495 2.065 -6.140
305 H GLY 41 H GLY 41 32.914 1.135 -0.473
306 HA2 GLY 41 HA2 GLY 41 33.661 3.936 -0.707
307 HA3 GLY 41 HA3 GLY 41 32.575 3.243 0.492
308 H ALA 42 H ALA 42 34.021 1.302 1.579
309 HA ALA 42 HA ALA 42 35.667 2.649 3.409
310 HB1 ALA 42 HB1 ALA 42 34.437 0.399 3.655
311 HB2 ALA 42 HB2 ALA 42 35.997 0.595 4.453
312 HB3 ALA 42 HB3 ALA 42 35.887 -0.301 2.938
313 H ALA 43 H ALA 43 36.434 0.742 0.538
314 HA ALA 43 HA ALA 43 39.250 0.762 0.906
315 HB1 ALA 43 HB1 ALA 43 37.836 0.473 -1.733
316 HB2 ALA 43 HB2 ALA 43 37.913 -0.826 -0.542
317 HB3 ALA 43 HB3 ALA 43 39.398 -0.190 -1.250
318 H LEU 44 H LEU 44 37.352 2.436 -1.616
319 HA LEU 44 HA LEU 44 39.334 4.115 -2.530
320 HG LEU 44 HG LEU 44 38.590 4.672 -4.608
321 HB2 LEU 44 HB2 LEU 44 36.408 4.055 -2.631
322 HB3 LEU 44 HB3 LEU 44 37.086 5.675 -2.774
323 HD11 LEU 44 HD11 LEU 44 37.108 2.359 -3.837
324 HD12 LEU 44 HD12 LEU 44 38.399 2.504 -5.031
325 HD13 LEU 44 HD13 LEU 44 36.722 2.763 -5.509
326 HD21 LEU 44 HD21 LEU 44 37.220 5.848 -5.895
327 HD22 LEU 44 HD22 LEU 44 35.998 5.798 -4.625
328 HD23 LEU 44 HD23 LEU 44 36.036 4.543 -5.864
329 H ASP 45 H ASP 45 36.786 5.064 -0.222
330 HA ASP 45 HA ASP 45 37.512 7.569 0.425
331 HB2 ASP 45 HB2 ASP 45 35.621 6.611 1.505
332 HB3 ASP 45 HB3 ASP 45 36.602 5.364 2.270
333 H THR 46 H THR 46 39.308 4.689 1.265
334 HA THR 46 HA THR 46 41.088 6.201 3.006
335 HB THR 46 HB THR 46 42.197 3.738 2.939
336 HG1 THR 46 HG1 THR 46 39.430 3.242 2.662
337 HG21 THR 46 HG21 THR 46 40.977 3.175 4.941
338 HG22 THR 46 HG22 THR 46 39.773 4.415 4.585
339 HG23 THR 46 HG23 THR 46 41.432 4.878 4.967
340 H ILE 47 H ILE 47 41.042 4.815 -0.184
341 HA ILE 47 HA ILE 47 43.889 5.432 -0.512
342 HB ILE 47 HB ILE 47 42.778 4.486 -2.956
343 HG12 ILE 47 HG12 ILE 47 41.966 2.900 -0.517
344 HG13 ILE 47 HG13 ILE 47 40.930 3.490 -1.810
345 HG21 ILE 47 HG21 ILE 47 44.871 3.733 -2.855
346 HG22 ILE 47 HG22 ILE 47 44.260 2.427 -1.838
347 HG23 ILE 47 HG23 ILE 47 44.911 3.888 -1.099
348 HD11 ILE 47 HD11 ILE 47 42.840 1.861 -3.044
349 HD12 ILE 47 HD12 ILE 47 41.130 1.515 -2.781
350 HD13 ILE 47 HD13 ILE 47 42.329 1.005 -1.590
351 H GLN 48 H GLN 48 41.678 7.352 -0.194
352 HA GLN 48 HA GLN 48 42.117 8.873 -2.685
353 HB2 GLN 48 HB2 GLN 48 39.656 7.892 -1.707
354 HB3 GLN 48 HB3 GLN 48 39.641 9.630 -1.440
355 HG2 GLN 48 HG2 GLN 48 38.660 8.986 -3.595
356 HG3 GLN 48 HG3 GLN 48 40.062 10.039 -3.773
357 HE21 GLN 48 HE21 GLN 48 38.893 6.743 -4.085
358 HE22 GLN 48 HE22 GLN 48 40.149 6.206 -5.153
359 H TYR 49 H TYR 49 41.754 8.900 0.783
360 HA TYR 49 HA TYR 49 41.421 11.247 1.793
361 HD1 TYR 49 HD1 TYR 49 43.395 8.050 0.979
362 HD2 TYR 49 HD2 TYR 49 45.683 10.831 3.240
363 HE1 TYR 49 HE1 TYR 49 45.455 6.898 0.292
364 HE2 TYR 49 HE2 TYR 49 47.754 9.691 2.561
365 HH TYR 49 HH TYR 49 47.689 6.660 0.808
366 HB2 TYR 49 HB2 TYR 49 43.392 11.011 3.273
367 HB3 TYR 49 HB3 TYR 49 42.493 9.501 3.088
368 H SER 50 H SER 50 41.532 13.109 0.669
369 HA SER 50 HA SER 50 43.550 14.835 0.681
370 HG SER 50 HG SER 50 44.659 12.427 -2.386
371 HB2 SER 50 HB2 SER 50 44.581 14.602 -1.674
372 HB3 SER 50 HB3 SER 50 45.148 13.509 -0.411
373 H LYS 51 H LYS 51 40.795 13.628 -0.890
374 HA LYS 51 HA LYS 51 39.759 16.170 -1.444
375 HB2 LYS 51 HB2 LYS 51 39.659 15.882 -3.988
376 HB3 LYS 51 HB3 LYS 51 41.180 16.422 -3.293
377 HG2 LYS 51 HG2 LYS 51 42.247 14.715 -4.207
378 HG3 LYS 51 HG3 LYS 51 41.162 13.567 -3.417
379 HD2 LYS 51 HD2 LYS 51 39.556 13.826 -5.242
380 HD3 LYS 51 HD3 LYS 51 40.625 14.991 -6.026
381 HE2 LYS 51 HE2 LYS 51 41.989 12.512 -5.391
382 HE3 LYS 51 HE3 LYS 51 40.583 12.246 -6.420
383 HZ1 LYS 51 HZ1 LYS 51 43.092 13.543 -7.026
384 HZ2 LYS 51 HZ2 LYS 51 41.730 14.370 -7.589
385 HZ3 LYS 51 HZ3 LYS 51 41.997 12.767 -8.056
386 H HIS 52 H HIS 52 38.351 14.643 -0.118
387 HA HIS 52 HA HIS 52 36.440 13.421 0.101
388 HD1 HIS 52 HD1 HIS 52 33.095 13.466 -0.898
389 HD2 HIS 52 HD2 HIS 52 35.492 16.804 -0.281
390 HE1 HIS 52 HE1 HIS 52 31.762 15.036 0.571
391 HB2 HIS 52 HB2 HIS 52 36.156 14.982 -2.345
392 HB3 HIS 52 HB3 HIS 52 35.185 13.509 -2.375
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 32.048 11.275 8.981
2 H2 GLY 1 2H GLY 1 33.303 10.140 8.996
3 H3 GLY 1 3H GLY 1 33.269 11.377 10.151
4 HA2 GLY 1 HA2 GLY 1 31.701 10.384 11.425
5 HA3 GLY 1 HA3 GLY 1 30.938 9.631 10.032
6 H SER 2 H SER 2 31.151 8.045 12.118
7 HA SER 2 HA SER 2 33.635 6.521 11.906
8 HG SER 2 HG SER 2 32.456 4.634 14.724
9 HB2 SER 2 HB2 SER 2 33.238 6.538 14.142
10 HB3 SER 2 HB3 SER 2 31.508 6.811 13.935
11 HA PRO 3 HA PRO 3 31.375 3.756 9.178
12 HB2 PRO 3 HB2 PRO 3 33.509 2.442 8.229
13 HB3 PRO 3 HB3 PRO 3 33.156 4.103 7.735
14 HG2 PRO 3 HG2 PRO 3 35.136 3.101 9.740
15 HG3 PRO 3 HG3 PRO 3 35.319 4.384 8.532
16 HD2 PRO 3 HD2 PRO 3 34.763 4.826 11.193
17 HD3 PRO 3 HD3 PRO 3 34.357 5.956 9.885
18 HA PRO 4 HA PRO 4 30.492 0.383 11.955
19 HB2 PRO 4 HB2 PRO 4 30.436 -0.958 9.272
20 HB3 PRO 4 HB3 PRO 4 29.328 -1.147 10.637
21 HG2 PRO 4 HG2 PRO 4 28.698 0.411 8.556
22 HG3 PRO 4 HG3 PRO 4 28.251 0.862 10.211
23 HD2 PRO 4 HD2 PRO 4 30.278 2.052 8.427
24 HD3 PRO 4 HD3 PRO 4 29.468 2.754 9.841
25 H GLU 5 H GLU 5 32.573 0.184 12.879
26 HA GLU 5 HA GLU 5 34.806 -0.535 12.991
27 HB2 GLU 5 HB2 GLU 5 32.809 -2.461 13.494
28 HB3 GLU 5 HB3 GLU 5 34.085 -3.302 12.628
29 HG2 GLU 5 HG2 GLU 5 35.448 -3.269 14.386
30 HG3 GLU 5 HG3 GLU 5 35.102 -1.576 14.734
31 H ALA 6 H ALA 6 34.877 0.392 10.590
32 HA ALA 6 HA ALA 6 36.282 -1.628 9.036
33 HB1 ALA 6 HB1 ALA 6 35.142 -0.894 6.954
34 HB2 ALA 6 HB2 ALA 6 34.024 0.045 7.941
35 HB3 ALA 6 HB3 ALA 6 34.069 -1.711 8.090
36 H ASP 7 H ASP 7 37.063 0.666 10.647
37 HA ASP 7 HA ASP 7 37.982 2.593 8.652
38 HB2 ASP 7 HB2 ASP 7 37.236 3.817 10.463
39 HB3 ASP 7 HB3 ASP 7 37.744 2.606 11.632
40 HA PRO 8 HA PRO 8 42.241 1.258 10.382
41 HB2 PRO 8 HB2 PRO 8 42.324 -0.504 12.453
42 HB3 PRO 8 HB3 PRO 8 42.244 1.247 12.681
43 HG2 PRO 8 HG2 PRO 8 40.057 -0.787 12.835
44 HG3 PRO 8 HG3 PRO 8 40.359 0.616 13.875
45 HD2 PRO 8 HD2 PRO 8 38.490 0.614 11.906
46 HD3 PRO 8 HD3 PRO 8 39.360 2.075 12.410
47 H ARG 9 H ARG 9 40.084 -1.478 11.104
48 HA ARG 9 HA ARG 9 41.637 -3.528 10.087
49 HE ARG 9 HE ARG 9 36.315 -4.005 11.151
50 HB2 ARG 9 HB2 ARG 9 38.647 -3.523 9.759
51 HB3 ARG 9 HB3 ARG 9 39.706 -4.878 10.118
52 HG2 ARG 9 HG2 ARG 9 40.105 -3.955 12.358
53 HG3 ARG 9 HG3 ARG 9 39.009 -2.623 11.992
54 HD2 ARG 9 HD2 ARG 9 38.414 -5.491 12.508
55 HD3 ARG 9 HD3 ARG 9 37.589 -4.043 13.091
56 HH11 ARG 9 HH11 ARG 9 38.783 -6.462 10.957
57 HH12 ARG 9 HH12 ARG 9 38.086 -7.234 9.572
58 HH21 ARG 9 HH21 ARG 9 35.396 -5.018 9.324
59 HH22 ARG 9 HH22 ARG 9 36.163 -6.414 8.644
60 H LEU 10 H LEU 10 39.185 -1.598 8.409
61 HA LEU 10 HA LEU 10 39.621 -2.905 5.896
62 HG LEU 10 HG LEU 10 36.651 -1.657 4.619
63 HB2 LEU 10 HB2 LEU 10 37.454 -1.928 6.693
64 HB3 LEU 10 HB3 LEU 10 38.159 -0.336 6.437
65 HD11 LEU 10 HD11 LEU 10 38.874 0.297 4.053
66 HD12 LEU 10 HD12 LEU 10 37.240 0.702 4.578
67 HD13 LEU 10 HD13 LEU 10 37.503 -0.038 2.999
68 HD21 LEU 10 HD21 LEU 10 37.990 -2.564 2.881
69 HD22 LEU 10 HD22 LEU 10 38.510 -3.349 4.372
70 HD23 LEU 10 HD23 LEU 10 39.481 -2.057 3.672
71 H ILE 11 H ILE 11 39.959 0.547 6.787
72 HA ILE 11 HA ILE 11 41.208 1.429 4.526
73 HB ILE 11 HB ILE 11 41.768 2.350 7.341
74 HG12 ILE 11 HG12 ILE 11 39.887 3.363 5.194
75 HG13 ILE 11 HG13 ILE 11 39.420 2.567 6.701
76 HG21 ILE 11 HG21 ILE 11 42.598 4.411 6.306
77 HG22 ILE 11 HG22 ILE 11 42.402 3.683 4.712
78 HG23 ILE 11 HG23 ILE 11 43.570 3.011 5.849
79 HD11 ILE 11 HD11 ILE 11 40.309 5.342 6.208
80 HD12 ILE 11 HD12 ILE 11 40.806 4.591 7.725
81 HD13 ILE 11 HD13 ILE 11 39.094 4.713 7.322
82 H GLU 12 H GLU 12 42.685 -0.414 7.139
83 HA GLU 12 HA GLU 12 45.325 0.155 6.207
84 HB2 GLU 12 HB2 GLU 12 44.230 -1.692 8.300
85 HB3 GLU 12 HB3 GLU 12 45.915 -1.795 7.811
86 HG2 GLU 12 HG2 GLU 12 44.880 0.879 8.548
87 HG3 GLU 12 HG3 GLU 12 45.095 -0.299 9.844
88 H SER 13 H SER 13 43.171 -2.642 5.925
89 HA SER 13 HA SER 13 44.817 -4.466 4.775
90 HG SER 13 HG SER 13 42.916 -5.996 2.957
91 HB2 SER 13 HB2 SER 13 42.124 -4.269 4.956
92 HB3 SER 13 HB3 SER 13 42.325 -3.983 3.228
93 H LEU 14 H LEU 14 43.561 -1.498 3.352
94 HA LEU 14 HA LEU 14 44.513 -1.909 0.732
95 HG LEU 14 HG LEU 14 41.888 0.504 0.530
96 HB2 LEU 14 HB2 LEU 14 43.950 0.673 2.190
97 HB3 LEU 14 HB3 LEU 14 44.161 0.514 0.449
98 HD11 LEU 14 HD11 LEU 14 41.011 -1.742 0.373
99 HD12 LEU 14 HD12 LEU 14 42.425 -2.382 1.211
100 HD13 LEU 14 HD13 LEU 14 42.599 -1.666 -0.391
101 HD21 LEU 14 HD21 LEU 14 42.318 0.131 3.287
102 HD22 LEU 14 HD22 LEU 14 41.176 -1.113 2.778
103 HD23 LEU 14 HD23 LEU 14 40.823 0.588 2.473
104 H SER 15 H SER 15 46.042 -0.640 3.594
105 HA SER 15 HA SER 15 48.105 0.845 2.792
106 HG SER 15 HG SER 15 47.086 0.844 4.914
107 HB2 SER 15 HB2 SER 15 48.459 -1.528 4.629
108 HB3 SER 15 HB3 SER 15 49.463 -0.079 4.585
109 H GLN 16 H GLN 16 47.648 -2.485 2.007
110 HA GLN 16 HA GLN 16 50.262 -3.089 1.114
111 HB2 GLN 16 HB2 GLN 16 49.321 -5.051 0.132
112 HB3 GLN 16 HB3 GLN 16 48.470 -4.766 1.643
113 HG2 GLN 16 HG2 GLN 16 46.690 -3.613 0.258
114 HG3 GLN 16 HG3 GLN 16 47.496 -4.293 -1.155
115 HE21 GLN 16 HE21 GLN 16 44.895 -4.730 0.553
116 HE22 GLN 16 HE22 GLN 16 44.771 -6.460 0.584
117 H MET 17 H MET 17 47.344 -2.015 -0.618
118 HA MET 17 HA MET 17 48.756 -1.832 -3.123
119 HB2 MET 17 HB2 MET 17 46.702 -1.225 -4.091
120 HB3 MET 17 HB3 MET 17 46.274 -2.367 -2.825
121 HG2 MET 17 HG2 MET 17 45.730 -0.456 -1.349
122 HG3 MET 17 HG3 MET 17 46.039 0.633 -2.708
123 HE1 MET 17 HE1 MET 17 44.939 -0.834 -5.175
124 HE2 MET 17 HE2 MET 17 43.350 -1.588 -5.051
125 HE3 MET 17 HE3 MET 17 44.762 -2.389 -4.364
126 H LEU 18 H LEU 18 47.665 0.369 -0.607
127 HA LEU 18 HA LEU 18 47.779 2.825 -1.563
128 HG LEU 18 HG LEU 18 47.496 3.567 1.957
129 HB2 LEU 18 HB2 LEU 18 48.637 1.626 0.953
130 HB3 LEU 18 HB3 LEU 18 49.454 3.148 0.605
131 HD11 LEU 18 HD11 LEU 18 48.042 5.274 0.350
132 HD12 LEU 18 HD12 LEU 18 46.288 5.133 0.475
133 HD13 LEU 18 HD13 LEU 18 47.133 4.435 -0.907
134 HD21 LEU 18 HD21 LEU 18 45.267 3.107 0.486
135 HD22 LEU 18 HD22 LEU 18 45.871 2.029 1.744
136 HD23 LEU 18 HD23 LEU 18 46.251 1.709 0.052
137 H SER 19 H SER 19 50.557 0.719 -1.482
138 HA SER 19 HA SER 19 52.711 2.336 -1.663
139 HG SER 19 HG SER 19 53.488 1.048 -4.516
140 HB2 SER 19 HB2 SER 19 53.741 0.463 -2.339
141 HB3 SER 19 HB3 SER 19 52.155 -0.303 -2.406
142 H MET 20 H MET 20 50.146 2.088 -4.025
143 HA MET 20 HA MET 20 51.560 4.035 -5.727
144 HB2 MET 20 HB2 MET 20 50.534 1.574 -6.461
145 HB3 MET 20 HB3 MET 20 49.280 2.698 -6.966
146 HG2 MET 20 HG2 MET 20 50.547 3.602 -8.592
147 HG3 MET 20 HG3 MET 20 52.044 3.448 -7.660
148 HE1 MET 20 HE1 MET 20 52.312 0.980 -6.718
149 HE2 MET 20 HE2 MET 20 53.434 0.367 -7.932
150 HE3 MET 20 HE3 MET 20 51.919 -0.481 -7.625
151 H GLY 21 H GLY 21 49.335 3.913 -3.433
152 HA2 GLY 21 HA2 GLY 21 47.525 5.231 -2.798
153 HA3 GLY 21 HA3 GLY 21 48.288 6.455 -3.807
154 H PHE 22 H PHE 22 46.684 3.336 -4.542
155 HA PHE 22 HA PHE 22 44.716 4.821 -6.126
156 HD1 PHE 22 HD1 PHE 22 43.888 5.146 -8.161
157 HD2 PHE 22 HD2 PHE 22 45.447 1.251 -8.872
158 HE1 PHE 22 HE1 PHE 22 42.186 4.787 -9.901
159 HE2 PHE 22 HE2 PHE 22 43.747 0.885 -10.614
160 HZ PHE 22 HZ PHE 22 42.115 2.655 -11.131
161 HB2 PHE 22 HB2 PHE 22 46.496 4.210 -7.692
162 HB3 PHE 22 HB3 PHE 22 46.364 2.524 -7.202
163 H SER 23 H SER 23 42.796 3.681 -6.598
164 HA SER 23 HA SER 23 42.386 1.217 -5.039
165 HG SER 23 HG SER 23 41.028 4.019 -3.269
166 HB2 SER 23 HB2 SER 23 40.484 3.559 -5.282
167 HB3 SER 23 HB3 SER 23 40.113 2.027 -4.486
168 H ASP 24 H ASP 24 39.993 0.430 -5.685
169 HA ASP 24 HA ASP 24 40.210 -0.445 -8.368
170 HB2 ASP 24 HB2 ASP 24 39.072 -1.624 -6.377
171 HB3 ASP 24 HB3 ASP 24 37.678 -0.601 -6.746
172 H GLU 25 H GLU 25 39.293 0.248 -10.183
173 HA GLU 25 HA GLU 25 37.626 2.666 -10.043
174 HB2 GLU 25 HB2 GLU 25 39.875 2.829 -11.195
175 HB3 GLU 25 HB3 GLU 25 39.250 1.723 -12.411
176 HG2 GLU 25 HG2 GLU 25 39.054 3.945 -13.244
177 HG3 GLU 25 HG3 GLU 25 37.435 3.350 -12.877
178 H GLY 26 H GLY 26 37.243 -0.492 -10.255
179 HA2 GLY 26 HA2 GLY 26 34.719 -0.301 -11.603
180 HA3 GLY 26 HA3 GLY 26 35.913 -1.220 -12.523
181 H GLY 27 H GLY 27 36.718 -3.180 -11.660
182 HA2 GLY 27 HA2 GLY 27 35.581 -4.192 -9.189
183 HA3 GLY 27 HA3 GLY 27 34.989 -4.972 -10.646
184 H TRP 28 H TRP 28 37.619 -4.654 -8.432
185 HA TRP 28 HA TRP 28 38.752 -7.115 -9.356
186 HD1 TRP 28 HD1 TRP 28 40.021 -2.767 -10.458
187 HE1 TRP 28 HE1 TRP 28 41.658 -1.351 -9.070
188 HE3 TRP 28 HE3 TRP 28 42.236 -6.499 -7.747
189 HZ2 TRP 28 HZ2 TRP 28 43.622 -1.753 -7.088
190 HZ3 TRP 28 HZ3 TRP 28 43.986 -5.894 -6.125
191 HH2 TRP 28 HH2 TRP 28 44.663 -3.569 -5.805
192 HB2 TRP 28 HB2 TRP 28 40.867 -6.397 -10.086
193 HB3 TRP 28 HB3 TRP 28 39.729 -5.307 -10.884
194 H LEU 29 H LEU 29 39.495 -4.208 -7.422
195 HA LEU 29 HA LEU 29 40.854 -5.753 -5.413
196 HG LEU 29 HG LEU 29 42.704 -3.633 -4.495
197 HB2 LEU 29 HB2 LEU 29 41.167 -3.242 -6.115
198 HB3 LEU 29 HB3 LEU 29 39.868 -2.961 -4.961
199 HD11 LEU 29 HD11 LEU 29 41.843 -1.458 -3.940
200 HD12 LEU 29 HD12 LEU 29 42.261 -2.310 -2.454
201 HD13 LEU 29 HD13 LEU 29 40.572 -2.170 -2.945
202 HD21 LEU 29 HD21 LEU 29 41.569 -5.696 -3.722
203 HD22 LEU 29 HD22 LEU 29 40.583 -4.710 -2.643
204 HD23 LEU 29 HD23 LEU 29 42.329 -4.788 -2.418
205 H THR 30 H THR 30 37.659 -4.449 -5.912
206 HA THR 30 HA THR 30 36.591 -4.481 -3.376
207 HB THR 30 HB THR 30 35.373 -3.630 -5.296
208 HG1 THR 30 HG1 THR 30 33.695 -5.705 -4.544
209 HG21 THR 30 HG21 THR 30 34.642 -6.382 -6.171
210 HG22 THR 30 HG22 THR 30 36.102 -5.613 -6.794
211 HG23 THR 30 HG23 THR 30 34.530 -4.854 -7.045
212 H ARG 31 H ARG 31 36.498 -7.200 -5.697
213 HA ARG 31 HA ARG 31 35.275 -9.056 -4.048
214 HE ARG 31 HE ARG 31 37.996 -12.158 -6.280
215 HB2 ARG 31 HB2 ARG 31 35.923 -9.187 -6.557
216 HB3 ARG 31 HB3 ARG 31 37.432 -9.870 -5.967
217 HG2 ARG 31 HG2 ARG 31 36.123 -11.617 -4.791
218 HG3 ARG 31 HG3 ARG 31 34.663 -10.970 -5.541
219 HD2 ARG 31 HD2 ARG 31 35.484 -12.875 -6.800
220 HD3 ARG 31 HD3 ARG 31 35.627 -11.398 -7.758
221 HH11 ARG 31 HH11 ARG 31 36.246 -12.340 -9.286
222 HH12 ARG 31 HH12 ARG 31 37.652 -12.699 -10.232
223 HH21 ARG 31 HH21 ARG 31 39.853 -12.628 -7.514
224 HH22 ARG 31 HH22 ARG 31 39.704 -12.863 -9.224
225 H LEU 32 H LEU 32 38.560 -7.925 -4.000
226 HA LEU 32 HA LEU 32 39.525 -10.130 -2.408
227 HG LEU 32 HG LEU 32 42.937 -8.523 -2.507
228 HB2 LEU 32 HB2 LEU 32 41.130 -9.185 -3.844
229 HB3 LEU 32 HB3 LEU 32 40.735 -7.551 -3.349
230 HD11 LEU 32 HD11 LEU 32 42.843 -6.908 -0.981
231 HD12 LEU 32 HD12 LEU 32 41.619 -7.770 -0.048
232 HD13 LEU 32 HD13 LEU 32 41.136 -6.731 -1.389
233 HD21 LEU 32 HD21 LEU 32 41.625 -9.734 -0.211
234 HD22 LEU 32 HD22 LEU 32 42.986 -10.309 -1.172
235 HD23 LEU 32 HD23 LEU 32 41.335 -10.615 -1.711
236 H LEU 33 H LEU 33 38.599 -6.761 -1.835
237 HA LEU 33 HA LEU 33 39.253 -6.997 0.984
238 HG LEU 33 HG LEU 33 37.169 -5.068 -1.290
239 HB2 LEU 33 HB2 LEU 33 38.747 -4.671 1.156
240 HB3 LEU 33 HB3 LEU 33 39.716 -4.919 -0.289
241 HD11 LEU 33 HD11 LEU 33 37.199 -3.170 1.036
242 HD12 LEU 33 HD12 LEU 33 36.008 -4.407 0.638
243 HD13 LEU 33 HD13 LEU 33 36.121 -2.946 -0.342
244 HD21 LEU 33 HD21 LEU 33 39.263 -2.967 -1.120
245 HD22 LEU 33 HD22 LEU 33 37.687 -2.521 -1.774
246 HD23 LEU 33 HD23 LEU 33 38.621 -3.814 -2.527
247 H GLN 34 H GLN 34 36.492 -7.359 -1.045
248 HA GLN 34 HA GLN 34 34.388 -6.653 0.558
249 HB2 GLN 34 HB2 GLN 34 34.711 -8.130 -1.779
250 HB3 GLN 34 HB3 GLN 34 33.894 -9.231 -0.677
251 HG2 GLN 34 HG2 GLN 34 32.109 -8.208 -1.661
252 HG3 GLN 34 HG3 GLN 34 32.340 -7.172 -0.246
253 HE21 GLN 34 HE21 GLN 34 34.762 -5.969 -1.376
254 HE22 GLN 34 HE22 GLN 34 34.211 -4.856 -2.591
255 H THR 35 H THR 35 36.036 -9.768 0.539
256 HA THR 35 HA THR 35 34.785 -11.330 2.236
257 HB THR 35 HB THR 35 37.679 -10.814 2.843
258 HG1 THR 35 HG1 THR 35 36.960 -12.443 0.697
259 HG21 THR 35 HG21 THR 35 37.685 -13.360 2.676
260 HG22 THR 35 HG22 THR 35 35.928 -13.239 2.783
261 HG23 THR 35 HG23 THR 35 36.935 -12.626 4.095
262 H LYS 36 H LYS 36 36.202 -8.282 3.311
263 HA LYS 36 HA LYS 36 36.039 -8.871 6.092
264 HB2 LYS 36 HB2 LYS 36 36.417 -6.364 4.502
265 HB3 LYS 36 HB3 LYS 36 36.125 -6.273 6.236
266 HG2 LYS 36 HG2 LYS 36 38.501 -6.190 5.719
267 HG3 LYS 36 HG3 LYS 36 38.099 -7.629 6.659
268 HD2 LYS 36 HD2 LYS 36 38.130 -8.980 4.638
269 HD3 LYS 36 HD3 LYS 36 38.449 -7.545 3.662
270 HE2 LYS 36 HE2 LYS 36 40.457 -7.408 5.491
271 HE3 LYS 36 HE3 LYS 36 40.269 -9.152 5.316
272 HZ1 LYS 36 HZ1 LYS 36 40.469 -8.839 2.892
273 HZ2 LYS 36 HZ2 LYS 36 41.860 -8.371 3.731
274 HZ3 LYS 36 HZ3 LYS 36 40.793 -7.198 3.144
275 H ASN 37 H ASN 37 33.791 -7.852 3.765
276 HA ASN 37 HA ASN 37 31.451 -8.068 4.079
277 HB2 ASN 37 HB2 ASN 37 31.923 -7.004 6.877
278 HB3 ASN 37 HB3 ASN 37 30.379 -7.527 6.196
279 HD21 ASN 37 HD21 ASN 37 30.915 -9.834 4.980
280 HD22 ASN 37 HD22 ASN 37 31.510 -11.015 6.109
281 H TYR 38 H TYR 38 32.361 -6.438 2.532
282 HA TYR 38 HA TYR 38 30.788 -4.272 2.487
283 HD1 TYR 38 HD1 TYR 38 34.791 -3.659 2.228
284 HD2 TYR 38 HD2 TYR 38 33.018 -3.618 6.095
285 HE1 TYR 38 HE1 TYR 38 36.986 -4.130 3.235
286 HE2 TYR 38 HE2 TYR 38 35.207 -4.090 7.111
287 HH TYR 38 HH TYR 38 37.371 -4.373 6.760
288 HB2 TYR 38 HB2 TYR 38 32.505 -2.388 2.907
289 HB3 TYR 38 HB3 TYR 38 31.705 -3.131 4.284
290 H ASP 39 H ASP 39 32.060 -2.335 1.088
291 HA ASP 39 HA ASP 39 33.533 -3.779 -0.999
292 HB2 ASP 39 HB2 ASP 39 31.253 -1.859 -1.520
293 HB3 ASP 39 HB3 ASP 39 32.228 -2.670 -2.746
294 H ILE 40 H ILE 40 34.691 -2.373 -2.504
295 HA ILE 40 HA ILE 40 36.543 -0.768 -1.540
296 HB ILE 40 HB ILE 40 36.709 0.417 -3.657
297 HG12 ILE 40 HG12 ILE 40 33.967 -0.745 -4.206
298 HG13 ILE 40 HG13 ILE 40 34.374 0.967 -4.039
299 HG21 ILE 40 HG21 ILE 40 36.286 -1.803 -5.129
300 HG22 ILE 40 HG22 ILE 40 36.281 -2.491 -3.505
301 HG23 ILE 40 HG23 ILE 40 37.678 -1.574 -4.070
302 HD11 ILE 40 HD11 ILE 40 34.218 0.694 -6.322
303 HD12 ILE 40 HD12 ILE 40 34.953 -0.908 -6.289
304 HD13 ILE 40 HD13 ILE 40 35.951 0.525 -6.042
305 H GLY 41 H GLY 41 33.185 0.214 -1.946
306 HA2 GLY 41 HA2 GLY 41 33.405 2.961 -1.724
307 HA3 GLY 41 HA3 GLY 41 32.063 2.019 -1.074
308 H ALA 42 H ALA 42 34.329 0.611 0.546
309 HA ALA 42 HA ALA 42 34.304 2.542 2.750
310 HB1 ALA 42 HB1 ALA 42 33.973 0.820 4.147
311 HB2 ALA 42 HB2 ALA 42 35.244 -0.142 3.392
312 HB3 ALA 42 HB3 ALA 42 33.617 -0.138 2.709
313 H ALA 43 H ALA 43 36.306 0.579 0.670
314 HA ALA 43 HA ALA 43 38.756 1.410 2.034
315 HB1 ALA 43 HB1 ALA 43 39.753 -0.391 1.122
316 HB2 ALA 43 HB2 ALA 43 38.960 -0.177 -0.437
317 HB3 ALA 43 HB3 ALA 43 38.094 -0.943 0.895
318 H LEU 44 H LEU 44 37.602 1.357 -1.340
319 HA LEU 44 HA LEU 44 39.484 2.872 -2.574
320 HG LEU 44 HG LEU 44 38.245 4.671 -4.238
321 HB2 LEU 44 HB2 LEU 44 37.822 1.947 -3.925
322 HB3 LEU 44 HB3 LEU 44 36.524 2.675 -2.984
323 HD11 LEU 44 HD11 LEU 44 37.101 2.464 -5.868
324 HD12 LEU 44 HD12 LEU 44 38.572 3.407 -6.111
325 HD13 LEU 44 HD13 LEU 44 37.001 4.109 -6.496
326 HD21 LEU 44 HD21 LEU 44 36.327 5.817 -4.236
327 HD22 LEU 44 HD22 LEU 44 35.674 4.487 -3.277
328 HD23 LEU 44 HD23 LEU 44 35.444 4.509 -5.026
329 H ASP 45 H ASP 45 37.233 3.999 -0.219
330 HA ASP 45 HA ASP 45 37.190 6.734 -0.940
331 HB2 ASP 45 HB2 ASP 45 36.838 5.581 1.830
332 HB3 ASP 45 HB3 ASP 45 36.242 7.130 1.239
333 H THR 46 H THR 46 39.253 4.867 1.268
334 HA THR 46 HA THR 46 40.660 7.070 2.298
335 HB THR 46 HB THR 46 40.614 4.669 3.191
336 HG1 THR 46 HG1 THR 46 43.110 5.020 3.607
337 HG21 THR 46 HG21 THR 46 42.348 3.176 2.520
338 HG22 THR 46 HG22 THR 46 42.966 4.341 1.349
339 HG23 THR 46 HG23 THR 46 41.392 3.588 1.096
340 H ILE 47 H ILE 47 41.490 4.876 -0.382
341 HA ILE 47 HA ILE 47 43.822 6.435 -1.026
342 HB ILE 47 HB ILE 47 42.924 4.684 -3.164
343 HG12 ILE 47 HG12 ILE 47 43.242 3.520 -0.393
344 HG13 ILE 47 HG13 ILE 47 41.843 3.383 -1.452
345 HG21 ILE 47 HG21 ILE 47 45.352 4.342 -1.446
346 HG22 ILE 47 HG22 ILE 47 45.231 5.660 -2.612
347 HG23 ILE 47 HG23 ILE 47 45.145 3.986 -3.160
348 HD11 ILE 47 HD11 ILE 47 42.853 1.815 -2.799
349 HD12 ILE 47 HD12 ILE 47 43.482 1.397 -1.206
350 HD13 ILE 47 HD13 ILE 47 44.480 2.312 -2.334
351 H GLN 48 H GLN 48 40.920 7.487 -1.160
352 HA GLN 48 HA GLN 48 41.048 8.487 -3.928
353 HB2 GLN 48 HB2 GLN 48 38.847 7.573 -2.247
354 HB3 GLN 48 HB3 GLN 48 38.542 9.158 -2.944
355 HG2 GLN 48 HG2 GLN 48 38.962 6.536 -4.312
356 HG3 GLN 48 HG3 GLN 48 37.643 7.692 -4.495
357 HE21 GLN 48 HE21 GLN 48 39.394 6.430 -6.491
358 HE22 GLN 48 HE22 GLN 48 40.119 7.738 -7.368
359 H TYR 49 H TYR 49 41.986 10.414 -3.991
360 HA TYR 49 HA TYR 49 41.395 12.330 -1.830
361 HD1 TYR 49 HD2 TYR 49 43.512 10.767 -0.415
362 HD2 TYR 49 HD1 TYR 49 44.933 11.023 -4.416
363 HE1 TYR 49 HE2 TYR 49 44.726 8.650 -0.113
364 HE2 TYR 49 HE1 TYR 49 46.150 8.906 -4.124
365 HH TYR 49 HH TYR 49 45.762 6.945 -1.254
366 HB2 TYR 49 HB2 TYR 49 43.774 12.834 -3.499
367 HB3 TYR 49 HB3 TYR 49 43.568 12.961 -1.748
368 H SER 50 H SER 50 42.620 14.534 -3.173
369 HA SER 50 HA SER 50 41.551 15.000 -5.731
370 HG SER 50 HG SER 50 39.475 17.580 -4.938
371 HB2 SER 50 HB2 SER 50 39.390 14.873 -4.555
372 HB3 SER 50 HB3 SER 50 39.913 16.152 -3.459
373 H LYS 51 H LYS 51 41.900 16.794 -2.657
374 HA LYS 51 HA LYS 51 43.968 18.435 -3.920
375 HB2 LYS 51 HB2 LYS 51 41.357 19.354 -3.578
376 HB3 LYS 51 HB3 LYS 51 42.250 20.058 -2.238
377 HG2 LYS 51 HG2 LYS 51 43.854 21.022 -3.792
378 HG3 LYS 51 HG3 LYS 51 42.991 20.290 -5.146
379 HD2 LYS 51 HD2 LYS 51 41.414 21.884 -5.145
380 HD3 LYS 51 HD3 LYS 51 41.278 21.872 -3.385
381 HE2 LYS 51 HE2 LYS 51 42.265 23.875 -3.447
382 HE3 LYS 51 HE3 LYS 51 43.751 22.998 -3.809
383 HZ1 LYS 51 HZ1 LYS 51 42.164 23.435 -6.142
384 HZ2 LYS 51 HZ2 LYS 51 43.786 23.818 -5.859
385 HZ3 LYS 51 HZ3 LYS 51 42.569 24.891 -5.382
386 H HIS 52 H HIS 52 45.703 18.410 -2.660
387 HA HIS 52 HA HIS 52 47.011 18.631 -0.794
388 HD1 HIS 52 HD1 HIS 52 48.140 19.871 0.689
389 HD2 HIS 52 HD2 HIS 52 45.090 19.244 3.440
390 HE1 HIS 52 HE1 HIS 52 49.169 20.195 2.977
391 HB2 HIS 52 HB2 HIS 52 45.162 20.162 0.034
392 HB3 HIS 52 HB3 HIS 52 44.494 18.758 0.866
Start of MODEL 21
1 H1 GLY 1 1H GLY 1 32.513 6.632 5.489
2 H2 GLY 1 2H GLY 1 32.479 8.308 5.258
3 H3 GLY 1 3H GLY 1 31.115 7.377 4.890
4 HA2 GLY 1 HA2 GLY 1 31.539 8.698 7.222
5 HA3 GLY 1 HA3 GLY 1 30.365 7.417 6.965
6 H SER 2 H SER 2 30.505 6.634 9.058
7 HA SER 2 HA SER 2 33.108 5.557 9.892
8 HG SER 2 HG SER 2 30.458 4.657 12.074
9 HB2 SER 2 HB2 SER 2 32.401 5.700 12.115
10 HB3 SER 2 HB3 SER 2 31.654 7.122 11.386
11 HA PRO 3 HA PRO 3 31.338 1.590 8.805
12 HB2 PRO 3 HB2 PRO 3 33.589 0.155 9.040
13 HB3 PRO 3 HB3 PRO 3 33.344 1.276 7.695
14 HG2 PRO 3 HG2 PRO 3 34.929 1.648 10.207
15 HG3 PRO 3 HG3 PRO 3 35.341 2.107 8.546
16 HD2 PRO 3 HD2 PRO 3 34.339 3.846 10.419
17 HD3 PRO 3 HD3 PRO 3 34.162 4.064 8.667
18 HA PRO 4 HA PRO 4 30.526 -0.573 12.560
19 HB2 PRO 4 HB2 PRO 4 31.443 -3.130 11.420
20 HB3 PRO 4 HB3 PRO 4 29.828 -2.652 11.950
21 HG2 PRO 4 HG2 PRO 4 30.421 -2.947 9.352
22 HG3 PRO 4 HG3 PRO 4 29.299 -1.692 9.915
23 HD2 PRO 4 HD2 PRO 4 32.176 -1.443 9.111
24 HD3 PRO 4 HD3 PRO 4 30.808 -0.368 8.748
25 H GLU 5 H GLU 5 33.023 0.597 12.755
26 HA GLU 5 HA GLU 5 34.704 0.489 14.333
27 HB2 GLU 5 HB2 GLU 5 33.312 -1.733 15.040
28 HB3 GLU 5 HB3 GLU 5 34.817 -2.457 14.489
29 HG2 GLU 5 HG2 GLU 5 35.992 -1.676 16.240
30 HG3 GLU 5 HG3 GLU 5 35.108 -0.150 16.289
31 H ALA 6 H ALA 6 34.536 -0.544 11.290
32 HA ALA 6 HA ALA 6 37.226 -1.638 11.093
33 HB1 ALA 6 HB1 ALA 6 36.697 -2.320 8.941
34 HB2 ALA 6 HB2 ALA 6 35.454 -1.084 8.746
35 HB3 ALA 6 HB3 ALA 6 35.157 -2.476 9.787
36 H ASP 7 H ASP 7 37.458 0.828 12.041
37 HA ASP 7 HA ASP 7 37.846 2.707 9.856
38 HB2 ASP 7 HB2 ASP 7 37.151 3.042 12.502
39 HB3 ASP 7 HB3 ASP 7 38.858 3.472 12.507
40 HA PRO 8 HA PRO 8 42.329 1.842 11.180
41 HB2 PRO 8 HB2 PRO 8 42.858 0.304 13.295
42 HB3 PRO 8 HB3 PRO 8 42.308 1.971 13.497
43 HG2 PRO 8 HG2 PRO 8 40.816 -0.573 13.866
44 HG3 PRO 8 HG3 PRO 8 40.644 0.968 14.724
45 HD2 PRO 8 HD2 PRO 8 39.042 0.022 12.593
46 HD3 PRO 8 HD3 PRO 8 39.029 1.653 13.290
47 H ARG 9 H ARG 9 40.092 -0.867 11.222
48 HA ARG 9 HA ARG 9 42.146 -2.731 10.326
49 HE ARG 9 HE ARG 9 37.145 -4.225 11.204
50 HB2 ARG 9 HB2 ARG 9 40.741 -3.791 11.847
51 HB3 ARG 9 HB3 ARG 9 39.306 -2.969 11.253
52 HG2 ARG 9 HG2 ARG 9 39.561 -4.341 9.141
53 HG3 ARG 9 HG3 ARG 9 40.759 -5.291 10.022
54 HD2 ARG 9 HD2 ARG 9 38.154 -5.907 9.951
55 HD3 ARG 9 HD3 ARG 9 39.198 -6.295 11.320
56 HH11 ARG 9 HH11 ARG 9 39.741 -5.728 12.992
57 HH12 ARG 9 HH12 ARG 9 39.238 -5.073 14.513
58 HH21 ARG 9 HH21 ARG 9 36.481 -3.369 13.200
59 HH22 ARG 9 HH22 ARG 9 37.385 -3.733 14.633
60 H LEU 10 H LEU 10 40.083 -0.495 8.984
61 HA LEU 10 HA LEU 10 39.751 -1.995 6.486
62 HG LEU 10 HG LEU 10 36.853 -0.376 5.423
63 HB2 LEU 10 HB2 LEU 10 37.741 -0.903 7.410
64 HB3 LEU 10 HB3 LEU 10 38.552 0.655 7.298
65 HD11 LEU 10 HD11 LEU 10 38.100 1.355 3.900
66 HD12 LEU 10 HD12 LEU 10 38.960 1.726 5.395
67 HD13 LEU 10 HD13 LEU 10 37.204 1.881 5.327
68 HD21 LEU 10 HD21 LEU 10 39.494 -0.595 4.057
69 HD22 LEU 10 HD22 LEU 10 37.930 -1.261 3.599
70 HD23 LEU 10 HD23 LEU 10 38.850 -1.994 4.908
71 H ILE 11 H ILE 11 40.984 1.047 7.764
72 HA ILE 11 HA ILE 11 41.978 2.137 5.395
73 HB ILE 11 HB ILE 11 42.738 2.481 8.279
74 HG12 ILE 11 HG12 ILE 11 41.586 4.400 6.242
75 HG13 ILE 11 HG13 ILE 11 40.625 3.450 7.380
76 HG21 ILE 11 HG21 ILE 11 44.801 2.737 6.946
77 HG22 ILE 11 HG22 ILE 11 44.282 4.244 7.704
78 HG23 ILE 11 HG23 ILE 11 43.998 3.978 5.985
79 HD11 ILE 11 HD11 ILE 11 42.727 5.006 8.662
80 HD12 ILE 11 HD12 ILE 11 41.011 4.872 9.047
81 HD13 ILE 11 HD13 ILE 11 41.549 5.987 7.790
82 H GLU 12 H GLU 12 43.542 -0.013 7.759
83 HA GLU 12 HA GLU 12 46.044 -0.010 6.443
84 HB2 GLU 12 HB2 GLU 12 45.501 -0.716 8.865
85 HB3 GLU 12 HB3 GLU 12 45.063 -2.270 8.169
86 HG2 GLU 12 HG2 GLU 12 47.181 -2.893 8.102
87 HG3 GLU 12 HG3 GLU 12 47.619 -1.461 7.172
88 H SER 13 H SER 13 43.242 -2.152 6.251
89 HA SER 13 HA SER 13 44.240 -4.201 4.756
90 HG SER 13 HG SER 13 42.837 -5.497 4.316
91 HB2 SER 13 HB2 SER 13 41.693 -3.281 5.362
92 HB3 SER 13 HB3 SER 13 41.744 -3.202 3.602
93 H LEU 14 H LEU 14 43.816 -0.863 3.854
94 HA LEU 14 HA LEU 14 44.204 -1.370 1.037
95 HG LEU 14 HG LEU 14 42.145 1.571 0.810
96 HB2 LEU 14 HB2 LEU 14 43.676 1.013 2.727
97 HB3 LEU 14 HB3 LEU 14 44.477 1.278 1.179
98 HD11 LEU 14 HD11 LEU 14 41.721 0.019 -0.904
99 HD12 LEU 14 HD12 LEU 14 42.683 -1.234 -0.118
100 HD13 LEU 14 HD13 LEU 14 43.476 0.173 -0.827
101 HD21 LEU 14 HD21 LEU 14 40.778 -0.707 1.303
102 HD22 LEU 14 HD22 LEU 14 40.855 0.659 2.414
103 HD23 LEU 14 HD23 LEU 14 41.929 -0.721 2.639
104 H SER 15 H SER 15 46.191 -0.630 3.778
105 HA SER 15 HA SER 15 48.392 0.571 2.638
106 HG SER 15 HG SER 15 50.509 -1.190 3.979
107 HB2 SER 15 HB2 SER 15 48.204 0.060 5.055
108 HB3 SER 15 HB3 SER 15 48.439 -1.651 4.697
109 H GLN 16 H GLN 16 47.112 -2.537 2.227
110 HA GLN 16 HA GLN 16 49.410 -3.802 1.051
111 HB2 GLN 16 HB2 GLN 16 47.977 -5.400 1.901
112 HB3 GLN 16 HB3 GLN 16 46.534 -4.515 1.424
113 HG2 GLN 16 HG2 GLN 16 47.077 -5.111 -0.952
114 HG3 GLN 16 HG3 GLN 16 48.336 -6.171 -0.323
115 HE21 GLN 16 HE21 GLN 16 44.891 -5.467 0.192
116 HE22 GLN 16 HE22 GLN 16 44.402 -7.123 0.353
117 H MET 17 H MET 17 46.588 -2.055 -0.065
118 HA MET 17 HA MET 17 47.330 -2.419 -2.863
119 HB2 MET 17 HB2 MET 17 45.020 -2.579 -2.664
120 HB3 MET 17 HB3 MET 17 44.933 -1.315 -1.445
121 HG2 MET 17 HG2 MET 17 44.010 -0.764 -3.732
122 HG3 MET 17 HG3 MET 17 45.152 0.391 -3.035
123 HE1 MET 17 HE1 MET 17 44.180 0.089 -6.069
124 HE2 MET 17 HE2 MET 17 44.271 -1.670 -6.144
125 HE3 MET 17 HE3 MET 17 45.323 -0.690 -7.163
126 H LEU 18 H LEU 18 46.530 0.364 -0.754
127 HA LEU 18 HA LEU 18 47.317 2.438 -2.315
128 HG LEU 18 HG LEU 18 46.011 4.025 -0.936
129 HB2 LEU 18 HB2 LEU 18 46.771 2.114 0.383
130 HB3 LEU 18 HB3 LEU 18 48.414 2.751 0.365
131 HD11 LEU 18 HD11 LEU 18 46.881 5.818 0.844
132 HD12 LEU 18 HD12 LEU 18 47.323 4.331 1.682
133 HD13 LEU 18 HD13 LEU 18 45.650 4.610 1.203
134 HD21 LEU 18 HD21 LEU 18 48.222 5.784 -0.681
135 HD22 LEU 18 HD22 LEU 18 47.418 5.233 -2.151
136 HD23 LEU 18 HD23 LEU 18 48.776 4.320 -1.493
137 H SER 19 H SER 19 49.542 1.001 0.068
138 HA SER 19 HA SER 19 51.872 2.153 -0.821
139 HG SER 19 HG SER 19 53.827 0.971 0.482
140 HB2 SER 19 HB2 SER 19 51.763 0.783 1.214
141 HB3 SER 19 HB3 SER 19 51.543 -0.668 0.237
142 H MET 20 H MET 20 49.955 -0.269 -2.339
143 HA MET 20 HA MET 20 52.039 -1.146 -4.146
144 HB2 MET 20 HB2 MET 20 50.053 -2.537 -3.215
145 HB3 MET 20 HB3 MET 20 49.111 -1.738 -4.465
146 HG2 MET 20 HG2 MET 20 51.658 -3.052 -5.245
147 HG3 MET 20 HG3 MET 20 50.262 -4.069 -4.868
148 HE1 MET 20 HE1 MET 20 47.995 -1.441 -6.462
149 HE2 MET 20 HE2 MET 20 47.953 -2.926 -5.512
150 HE3 MET 20 HE3 MET 20 47.577 -2.970 -7.234
151 H GLY 21 H GLY 21 50.296 1.613 -3.942
152 HA2 GLY 21 HA2 GLY 21 50.710 3.203 -5.771
153 HA3 GLY 21 HA3 GLY 21 50.232 1.924 -6.874
154 H PHE 22 H PHE 22 48.096 1.398 -4.560
155 HA PHE 22 HA PHE 22 45.861 1.749 -4.384
156 HD1 PHE 22 HD1 PHE 22 44.005 4.483 -5.470
157 HD2 PHE 22 HD2 PHE 22 47.894 5.923 -4.522
158 HE1 PHE 22 HE1 PHE 22 43.568 6.511 -6.791
159 HE2 PHE 22 HE2 PHE 22 47.465 7.959 -5.842
160 HZ PHE 22 HZ PHE 22 45.298 8.252 -6.978
161 HB2 PHE 22 HB2 PHE 22 45.430 3.723 -3.394
162 HB3 PHE 22 HB3 PHE 22 47.160 3.980 -3.553
163 H SER 23 H SER 23 43.981 1.889 -5.566
164 HA SER 23 HA SER 23 43.461 3.444 -7.770
165 HG SER 23 HG SER 23 44.208 0.609 -10.242
166 HB2 SER 23 HB2 SER 23 45.026 2.688 -9.231
167 HB3 SER 23 HB3 SER 23 45.211 1.144 -8.395
168 H ASP 24 H ASP 24 41.403 3.277 -8.238
169 HA ASP 24 HA ASP 24 40.034 0.701 -7.921
170 HB2 ASP 24 HB2 ASP 24 38.102 1.798 -6.872
171 HB3 ASP 24 HB3 ASP 24 39.555 1.983 -5.887
172 H GLU 25 H GLU 25 39.576 0.288 -10.029
173 HA GLU 25 HA GLU 25 38.054 2.350 -11.469
174 HB2 GLU 25 HB2 GLU 25 39.869 0.514 -12.976
175 HB3 GLU 25 HB3 GLU 25 39.289 2.116 -13.412
176 HG2 GLU 25 HG2 GLU 25 41.111 3.064 -12.595
177 HG3 GLU 25 HG3 GLU 25 40.902 2.257 -11.041
178 H GLY 26 H GLY 26 36.226 1.666 -12.424
179 HA2 GLY 26 HA2 GLY 26 34.557 0.259 -13.142
180 HA3 GLY 26 HA3 GLY 26 35.809 -0.956 -13.408
181 H GLY 27 H GLY 27 36.728 -1.766 -11.150
182 HA2 GLY 27 HA2 GLY 27 35.534 -1.935 -8.793
183 HA3 GLY 27 HA3 GLY 27 34.394 -2.845 -9.774
184 H TRP 28 H TRP 28 37.928 -2.749 -9.992
185 HA TRP 28 HA TRP 28 37.962 -5.659 -9.819
186 HD1 TRP 28 HD1 TRP 28 40.478 -2.050 -11.652
187 HE1 TRP 28 HE1 TRP 28 42.477 -1.025 -10.393
188 HE3 TRP 28 HE3 TRP 28 41.273 -5.764 -8.229
189 HZ2 TRP 28 HZ2 TRP 28 44.165 -1.703 -8.235
190 HZ3 TRP 28 HZ3 TRP 28 43.098 -5.498 -6.602
191 HH2 TRP 28 HH2 TRP 28 44.513 -3.508 -6.607
192 HB2 TRP 28 HB2 TRP 28 40.088 -5.601 -10.808
193 HB3 TRP 28 HB3 TRP 28 39.223 -4.276 -11.595
194 H LEU 29 H LEU 29 39.240 -2.820 -8.159
195 HA LEU 29 HA LEU 29 40.774 -4.260 -6.250
196 HG LEU 29 HG LEU 29 42.477 -2.121 -5.348
197 HB2 LEU 29 HB2 LEU 29 40.851 -1.737 -6.909
198 HB3 LEU 29 HB3 LEU 29 39.581 -1.562 -5.698
199 HD11 LEU 29 HD11 LEU 29 41.324 -0.920 -3.100
200 HD12 LEU 29 HD12 LEU 29 40.508 -0.212 -4.494
201 HD13 LEU 29 HD13 LEU 29 42.265 -0.141 -4.371
202 HD21 LEU 29 HD21 LEU 29 41.407 -4.159 -4.469
203 HD22 LEU 29 HD22 LEU 29 40.406 -3.158 -3.417
204 HD23 LEU 29 HD23 LEU 29 42.156 -3.187 -3.202
205 H THR 30 H THR 30 37.486 -2.996 -6.308
206 HA THR 30 HA THR 30 36.627 -3.187 -3.770
207 HB THR 30 HB THR 30 35.261 -4.122 -6.288
208 HG1 THR 30 HG1 THR 30 34.826 -2.092 -6.451
209 HG21 THR 30 HG21 THR 30 34.398 -4.716 -3.676
210 HG22 THR 30 HG22 THR 30 33.525 -4.922 -5.193
211 HG23 THR 30 HG23 THR 30 33.374 -3.418 -4.285
212 H ARG 31 H ARG 31 36.153 -5.991 -5.904
213 HA ARG 31 HA ARG 31 35.511 -7.911 -4.159
214 HE ARG 31 HE ARG 31 36.582 -11.103 -7.553
215 HB2 ARG 31 HB2 ARG 31 36.234 -9.504 -5.682
216 HB3 ARG 31 HB3 ARG 31 36.052 -8.074 -6.687
217 HG2 ARG 31 HG2 ARG 31 38.358 -7.752 -6.857
218 HG3 ARG 31 HG3 ARG 31 38.696 -8.802 -5.479
219 HD2 ARG 31 HD2 ARG 31 38.030 -9.509 -8.292
220 HD3 ARG 31 HD3 ARG 31 39.254 -10.189 -7.214
221 HH11 ARG 31 HH11 ARG 31 39.117 -10.744 -5.188
222 HH12 ARG 31 HH12 ARG 31 38.566 -12.063 -4.210
223 HH21 ARG 31 HH21 ARG 31 35.852 -12.841 -6.271
224 HH22 ARG 31 HH22 ARG 31 36.711 -13.254 -4.825
225 H LEU 32 H LEU 32 38.676 -6.435 -4.379
226 HA LEU 32 HA LEU 32 40.025 -8.401 -2.830
227 HG LEU 32 HG LEU 32 43.138 -6.742 -3.228
228 HB2 LEU 32 HB2 LEU 32 41.175 -6.839 -4.365
229 HB3 LEU 32 HB3 LEU 32 40.778 -5.517 -3.283
230 HD11 LEU 32 HD11 LEU 32 43.466 -5.337 -1.540
231 HD12 LEU 32 HD12 LEU 32 42.339 -6.211 -0.501
232 HD13 LEU 32 HD13 LEU 32 41.741 -4.978 -1.610
233 HD21 LEU 32 HD21 LEU 32 42.251 -8.948 -2.729
234 HD22 LEU 32 HD22 LEU 32 41.446 -8.319 -1.291
235 HD23 LEU 32 HD23 LEU 32 43.208 -8.352 -1.372
236 H LEU 33 H LEU 33 39.542 -4.994 -1.895
237 HA LEU 33 HA LEU 33 39.833 -5.525 0.845
238 HG LEU 33 HG LEU 33 37.489 -3.548 -1.120
239 HB2 LEU 33 HB2 LEU 33 39.233 -3.286 1.239
240 HB3 LEU 33 HB3 LEU 33 40.073 -3.294 -0.305
241 HD11 LEU 33 HD11 LEU 33 37.091 -3.057 1.487
242 HD12 LEU 33 HD12 LEU 33 35.991 -2.518 0.219
243 HD13 LEU 33 HD13 LEU 33 37.184 -1.402 0.884
244 HD21 LEU 33 HD21 LEU 33 38.547 -1.950 -2.291
245 HD22 LEU 33 HD22 LEU 33 39.478 -1.403 -0.896
246 HD23 LEU 33 HD23 LEU 33 37.819 -0.853 -1.119
247 H GLN 34 H GLN 34 36.990 -5.407 -1.241
248 HA GLN 34 HA GLN 34 34.928 -5.318 0.528
249 HB2 GLN 34 HB2 GLN 34 35.141 -5.959 -2.122
250 HB3 GLN 34 HB3 GLN 34 34.596 -7.480 -1.433
251 HG2 GLN 34 HG2 GLN 34 32.594 -6.509 -1.889
252 HG3 GLN 34 HG3 GLN 34 32.843 -5.928 -0.236
253 HE21 GLN 34 HE21 GLN 34 34.851 -4.012 -0.890
254 HE22 GLN 34 HE22 GLN 34 34.068 -2.708 -1.730
255 H THR 35 H THR 35 37.311 -7.782 0.305
256 HA THR 35 HA THR 35 36.084 -10.033 1.273
257 HB THR 35 HB THR 35 38.477 -9.916 0.684
258 HG1 THR 35 HG1 THR 35 37.991 -11.676 1.889
259 HG21 THR 35 HG21 THR 35 39.203 -8.903 3.370
260 HG22 THR 35 HG22 THR 35 38.749 -7.729 2.135
261 HG23 THR 35 HG23 THR 35 40.092 -8.834 1.848
262 H LYS 36 H LYS 36 36.605 -7.006 2.861
263 HA LYS 36 HA LYS 36 36.331 -7.919 5.542
264 HB2 LYS 36 HB2 LYS 36 36.027 -5.218 4.239
265 HB3 LYS 36 HB3 LYS 36 35.768 -5.459 5.964
266 HG2 LYS 36 HG2 LYS 36 38.099 -4.698 5.009
267 HG3 LYS 36 HG3 LYS 36 37.979 -5.785 6.394
268 HD2 LYS 36 HD2 LYS 36 38.150 -7.696 4.758
269 HD3 LYS 36 HD3 LYS 36 38.550 -6.499 3.525
270 HE2 LYS 36 HE2 LYS 36 40.661 -6.978 4.180
271 HE3 LYS 36 HE3 LYS 36 40.296 -5.773 5.414
272 HZ1 LYS 36 HZ1 LYS 36 40.801 -8.574 5.705
273 HZ2 LYS 36 HZ2 LYS 36 39.366 -8.107 6.470
274 HZ3 LYS 36 HZ3 LYS 36 40.823 -7.348 6.872
275 H ASN 37 H ASN 37 34.115 -7.261 2.986
276 HA ASN 37 HA ASN 37 31.959 -8.150 2.947
277 HB2 ASN 37 HB2 ASN 37 31.777 -7.479 5.889
278 HB3 ASN 37 HB3 ASN 37 30.579 -8.344 4.922
279 HD21 ASN 37 HD21 ASN 37 32.249 -9.996 3.459
280 HD22 ASN 37 HD22 ASN 37 32.984 -11.147 4.537
281 H TYR 38 H TYR 38 33.245 -5.130 3.574
282 HA TYR 38 HA TYR 38 30.600 -3.980 3.311
283 HD1 TYR 38 HD2 TYR 38 34.248 -2.674 2.862
284 HD2 TYR 38 HD1 TYR 38 33.012 -3.084 6.912
285 HE1 TYR 38 HE2 TYR 38 36.602 -2.746 3.570
286 HE2 TYR 38 HE1 TYR 38 35.360 -3.156 7.630
287 HH TYR 38 HH TYR 38 37.516 -3.559 6.821
288 HB2 TYR 38 HB2 TYR 38 31.784 -1.821 4.116
289 HB3 TYR 38 HB3 TYR 38 31.414 -3.080 5.276
290 H ASP 39 H ASP 39 32.553 -1.444 2.632
291 HA ASP 39 HA ASP 39 32.833 -2.200 -0.153
292 HB2 ASP 39 HB2 ASP 39 31.025 -0.112 0.909
293 HB3 ASP 39 HB3 ASP 39 31.916 0.287 -0.561
294 H ILE 40 H ILE 40 34.005 -0.683 -1.492
295 HA ILE 40 HA ILE 40 36.452 0.074 -0.275
296 HB ILE 40 HB ILE 40 37.180 0.737 -2.438
297 HG12 ILE 40 HG12 ILE 40 34.335 0.600 -3.446
298 HG13 ILE 40 HG13 ILE 40 35.087 2.106 -2.909
299 HG21 ILE 40 HG21 ILE 40 36.208 -1.754 -1.935
300 HG22 ILE 40 HG22 ILE 40 37.149 -1.306 -3.358
301 HG23 ILE 40 HG23 ILE 40 35.388 -1.348 -3.443
302 HD11 ILE 40 HD11 ILE 40 35.499 2.247 -5.134
303 HD12 ILE 40 HD12 ILE 40 35.569 0.498 -5.351
304 HD13 ILE 40 HD13 ILE 40 36.940 1.355 -4.645
305 H GLY 41 H GLY 41 33.457 1.674 -0.955
306 HA2 GLY 41 HA2 GLY 41 34.077 4.316 -1.220
307 HA3 GLY 41 HA3 GLY 41 32.747 3.762 -0.199
308 H ALA 42 H ALA 42 34.460 2.297 1.535
309 HA ALA 42 HA ALA 42 35.348 4.461 3.255
310 HB1 ALA 42 HB1 ALA 42 35.454 1.535 3.929
311 HB2 ALA 42 HB2 ALA 42 33.953 2.455 4.025
312 HB3 ALA 42 HB3 ALA 42 35.335 2.916 5.021
313 H ALA 43 H ALA 43 36.631 1.711 1.445
314 HA ALA 43 HA ALA 43 39.286 1.871 2.457
315 HB1 ALA 43 HB1 ALA 43 38.634 -0.141 1.363
316 HB2 ALA 43 HB2 ALA 43 39.863 0.616 0.348
317 HB3 ALA 43 HB3 ALA 43 38.163 0.732 -0.094
318 H LEU 44 H LEU 44 37.539 3.459 -0.112
319 HA LEU 44 HA LEU 44 39.541 4.571 -1.637
320 HG LEU 44 HG LEU 44 36.274 5.177 -3.167
321 HB2 LEU 44 HB2 LEU 44 36.769 5.340 -0.915
322 HB3 LEU 44 HB3 LEU 44 37.777 6.603 -1.611
323 HD11 LEU 44 HD11 LEU 44 39.084 5.251 -4.129
324 HD12 LEU 44 HD12 LEU 44 38.315 6.762 -3.645
325 HD13 LEU 44 HD13 LEU 44 37.599 5.780 -4.921
326 HD21 LEU 44 HD21 LEU 44 37.913 3.148 -2.077
327 HD22 LEU 44 HD22 LEU 44 38.349 3.325 -3.774
328 HD23 LEU 44 HD23 LEU 44 36.675 3.005 -3.321
329 H ASP 45 H ASP 45 38.321 5.585 1.494
330 HA ASP 45 HA ASP 45 39.355 8.089 1.782
331 HB2 ASP 45 HB2 ASP 45 38.094 7.271 3.585
332 HB3 ASP 45 HB3 ASP 45 39.084 5.824 3.742
333 H THR 46 H THR 46 41.098 5.050 1.764
334 HA THR 46 HA THR 46 43.571 6.416 2.479
335 HB THR 46 HB THR 46 44.571 4.217 2.651
336 HG1 THR 46 HG1 THR 46 42.629 2.539 2.303
337 HG21 THR 46 HG21 THR 46 43.322 3.244 4.409
338 HG22 THR 46 HG22 THR 46 41.829 3.997 3.851
339 HG23 THR 46 HG23 THR 46 43.117 4.992 4.531
340 H ILE 47 H ILE 47 42.478 4.274 -0.160
341 HA ILE 47 HA ILE 47 44.733 4.971 -1.796
342 HB ILE 47 HB ILE 47 43.572 3.725 -3.570
343 HG12 ILE 47 HG12 ILE 47 41.387 3.348 -1.510
344 HG13 ILE 47 HG13 ILE 47 41.263 4.368 -2.940
345 HG21 ILE 47 HG21 ILE 47 43.454 2.201 -0.979
346 HG22 ILE 47 HG22 ILE 47 44.962 2.628 -1.788
347 HG23 ILE 47 HG23 ILE 47 43.796 1.578 -2.593
348 HD11 ILE 47 HD11 ILE 47 42.064 1.842 -3.849
349 HD12 ILE 47 HD12 ILE 47 40.496 2.624 -4.052
350 HD13 ILE 47 HD13 ILE 47 40.783 1.567 -2.668
351 H GLN 48 H GLN 48 42.429 6.946 -0.827
352 HA GLN 48 HA GLN 48 42.472 8.456 -3.330
353 HB2 GLN 48 HB2 GLN 48 40.218 6.990 -2.642
354 HB3 GLN 48 HB3 GLN 48 39.844 8.612 -2.086
355 HG2 GLN 48 HG2 GLN 48 39.017 8.345 -4.312
356 HG3 GLN 48 HG3 GLN 48 40.363 9.479 -4.332
357 HE21 GLN 48 HE21 GLN 48 40.928 6.053 -4.021
358 HE22 GLN 48 HE22 GLN 48 41.566 5.819 -5.612
359 H TYR 49 H TYR 49 42.483 10.634 -3.073
360 HA TYR 49 HA TYR 49 41.692 11.915 -0.638
361 HD1 TYR 49 HD1 TYR 49 44.243 9.268 -0.008
362 HD2 TYR 49 HD2 TYR 49 45.730 12.403 -2.469
363 HE1 TYR 49 HE1 TYR 49 45.930 7.734 -0.931
364 HE2 TYR 49 HE2 TYR 49 47.421 10.880 -3.399
365 HH TYR 49 HH TYR 49 47.302 7.552 -3.032
366 HB2 TYR 49 HB2 TYR 49 44.241 12.886 -0.633
367 HB3 TYR 49 HB3 TYR 49 43.658 11.601 0.431
368 H SER 50 H SER 50 41.425 12.004 -3.645
369 HA SER 50 HA SER 50 41.783 14.900 -3.890
370 HG SER 50 HG SER 50 44.255 14.891 -6.106
371 HB2 SER 50 HB2 SER 50 43.126 12.851 -5.487
372 HB3 SER 50 HB3 SER 50 42.263 14.036 -6.465
373 H LYS 51 H LYS 51 40.010 12.016 -4.698
374 HA LYS 51 HA LYS 51 38.301 13.118 -6.660
375 HB2 LYS 51 HB2 LYS 51 38.577 10.631 -5.245
376 HB3 LYS 51 HB3 LYS 51 36.887 11.119 -5.253
377 HG2 LYS 51 HG2 LYS 51 37.115 11.435 -7.743
378 HG3 LYS 51 HG3 LYS 51 38.683 10.636 -7.611
379 HD2 LYS 51 HD2 LYS 51 37.446 8.738 -6.458
380 HD3 LYS 51 HD3 LYS 51 35.959 9.509 -7.013
381 HE2 LYS 51 HE2 LYS 51 36.648 7.767 -8.562
382 HE3 LYS 51 HE3 LYS 51 36.746 9.352 -9.327
383 HZ1 LYS 51 HZ1 LYS 51 39.088 8.024 -8.090
384 HZ2 LYS 51 HZ2 LYS 51 39.080 9.358 -9.128
385 HZ3 LYS 51 HZ3 LYS 51 38.678 7.825 -9.720
386 H HIS 52 H HIS 52 35.831 13.166 -6.220
387 HA HIS 52 HA HIS 52 34.856 13.895 -3.684
388 HD1 HIS 52 HD1 HIS 52 36.364 16.772 -2.102
389 HD2 HIS 52 HD2 HIS 52 32.579 16.621 -3.809
390 HE1 HIS 52 HE1 HIS 52 34.790 17.840 -0.434
391 HB2 HIS 52 HB2 HIS 52 36.406 15.881 -4.436
392 HB3 HIS 52 HB3 HIS 52 35.018 16.320 -5.434