Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505724 | 2ytp RC | 10177 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -25.927 -15.489 -14.423
2 HA2 GLY 1 1HA GLY 1 -24.259 -14.657 -16.665
3 HA3 GLY 1 2HA GLY 1 -25.556 -13.727 -15.930
4 H SER 2 H SER 2 -24.322 -11.855 -15.763
5 HA SER 2 HA SER 2 -21.819 -11.907 -14.311
6 HB2 SER 2 1HB SER 2 -21.891 -9.419 -14.677
7 HB3 SER 2 2HB SER 2 -21.954 -10.372 -16.159
8 HG SER 2 HG SER 2 -23.543 -8.536 -15.759
9 H SER 3 H SER 3 -23.736 -12.901 -12.677
10 HA SER 3 HA SER 3 -23.616 -11.113 -10.453
11 HB2 SER 3 1HB SER 3 -25.659 -10.382 -11.896
12 HB3 SER 3 2HB SER 3 -26.425 -11.831 -11.245
13 HG SER 3 HG SER 3 -25.567 -10.835 -9.134
14 H GLY 4 H GLY 4 -23.507 -12.270 -8.627
15 HA2 GLY 4 1HA GLY 4 -24.862 -14.226 -7.535
16 HA3 GLY 4 2HA GLY 4 -24.073 -15.141 -8.811
17 H SER 5 H SER 5 -23.772 -13.801 -5.689
18 HA SER 5 HA SER 5 -21.105 -13.435 -5.265
19 HB2 SER 5 1HB SER 5 -23.090 -14.831 -3.457
20 HB3 SER 5 2HB SER 5 -21.495 -14.287 -2.939
21 HG SER 5 HG SER 5 -22.106 -12.180 -3.332
22 H SER 6 H SER 6 -22.735 -16.571 -4.763
23 HA SER 6 HA SER 6 -21.947 -18.709 -4.790
24 HB2 SER 6 1HB SER 6 -21.717 -17.975 -7.229
25 HB3 SER 6 2HB SER 6 -19.998 -17.772 -6.894
26 HG SER 6 HG SER 6 -20.126 -20.033 -6.117
27 H GLY 7 H GLY 7 -20.826 -17.140 -2.790
28 HA2 GLY 7 1HA GLY 7 -19.124 -18.234 -1.326
29 HA3 GLY 7 2HA GLY 7 -18.045 -18.139 -2.710
30 H THR 8 H THR 8 -16.483 -16.825 -1.923
31 HA THR 8 HA THR 8 -17.322 -14.104 -1.166
32 HB THR 8 HB THR 8 -15.316 -14.007 0.328
33 HG1 THR 8 HG1 THR 8 -14.741 -16.351 0.966
34 HG21 THR 8 3HG2 THR 8 -17.782 -14.757 0.945
35 HG22 THR 8 1HG2 THR 8 -16.486 -14.776 2.140
36 HG23 THR 8 2HG2 THR 8 -16.965 -16.270 1.334
37 H GLY 9 H GLY 9 -15.615 -12.456 -1.497
38 HA2 GLY 9 1HA GLY 9 -13.796 -13.192 -3.704
39 HA3 GLY 9 2HA GLY 9 -14.783 -11.740 -3.776
40 H GLU 10 H GLU 10 -12.656 -13.245 -1.337
41 HA GLU 10 HA GLU 10 -11.812 -10.873 -0.156
42 HB2 GLU 10 1HB GLU 10 -11.473 -13.258 0.671
43 HB3 GLU 10 2HB GLU 10 -10.087 -13.333 -0.408
44 HG2 GLU 10 1HG GLU 10 -9.035 -12.711 1.499
45 HG3 GLU 10 2HG GLU 10 -9.425 -11.116 0.860
46 H ARG 11 H ARG 11 -10.915 -9.210 -1.183
47 HA ARG 11 HA ARG 11 -8.749 -9.765 -3.103
48 HB2 ARG 11 1HB ARG 11 -10.946 -7.719 -3.171
49 HB3 ARG 11 2HB ARG 11 -9.437 -7.440 -4.029
50 HG2 ARG 11 1HG ARG 11 -9.777 -9.467 -5.326
51 HG3 ARG 11 2HG ARG 11 -11.269 -9.794 -4.441
52 HD2 ARG 11 1HD ARG 11 -10.740 -7.369 -6.155
53 HD3 ARG 11 2HD ARG 11 -11.691 -8.773 -6.637
54 HE ARG 11 HE ARG 11 -12.608 -7.507 -4.220
55 HH11 ARG 11 1HH1 ARG 11 -12.800 -7.549 -7.696
56 HH12 ARG 11 2HH1 ARG 11 -14.360 -6.797 -7.749
57 HH21 ARG 11 1HH2 ARG 11 -14.662 -6.516 -4.277
58 HH22 ARG 11 2HH2 ARG 11 -15.418 -6.209 -5.804
59 H HIS 12 H HIS 12 -7.284 -9.678 -1.290
60 HA HIS 12 HA HIS 12 -6.949 -7.051 -0.046
61 HB2 HIS 12 1HB HIS 12 -5.550 -8.122 1.564
62 HB3 HIS 12 2HB HIS 12 -6.951 -9.164 1.336
63 HD1 HIS 12 HD1 HIS 12 -6.506 -11.269 -0.328
64 HD2 HIS 12 HD2 HIS 12 -3.158 -9.368 1.233
65 HE1 HIS 12 HE1 HIS 12 -4.609 -12.893 -0.630
66 H TYR 13 H TYR 13 -5.696 -5.654 -1.084
67 HA TYR 13 HA TYR 13 -3.606 -6.603 -2.874
68 HB2 TYR 13 1HB TYR 13 -4.584 -3.796 -2.307
69 HB3 TYR 13 2HB TYR 13 -3.421 -4.240 -3.552
70 HD1 TYR 13 HD2 TYR 13 -6.889 -5.092 -2.450
71 HD2 TYR 13 HD1 TYR 13 -4.196 -4.572 -5.702
72 HE1 TYR 13 HE2 TYR 13 -8.735 -5.470 -4.031
73 HE2 TYR 13 HE1 TYR 13 -6.034 -4.947 -7.293
74 HH TYR 13 HH TYR 13 -8.345 -6.226 -7.167
75 H GLU 14 H GLU 14 -1.615 -6.918 -2.156
76 HA GLU 14 HA GLU 14 -0.743 -5.696 0.332
77 HB2 GLU 14 1HB GLU 14 -0.362 -8.165 -0.523
78 HB3 GLU 14 2HB GLU 14 1.027 -7.443 -1.322
79 HG2 GLU 14 1HG GLU 14 2.119 -7.028 0.631
80 HG3 GLU 14 2HG GLU 14 0.629 -6.869 1.560
81 H CYS 15 H CYS 15 1.320 -4.614 0.518
82 HA CYS 15 HA CYS 15 1.780 -2.832 -1.737
83 HB2 CYS 15 1HB CYS 15 1.518 -1.917 0.557
84 HB3 CYS 15 2HB CYS 15 2.978 -2.775 1.041
85 H SER 16 H SER 16 3.277 -3.280 -3.198
86 HA SER 16 HA SER 16 5.169 -5.357 -2.919
87 HB2 SER 16 1HB SER 16 4.176 -4.338 -5.076
88 HB3 SER 16 2HB SER 16 5.438 -3.117 -4.915
89 HG SER 16 HG SER 16 6.476 -4.602 -6.046
90 H GLU 17 H GLU 17 5.147 -2.326 -1.574
91 HA GLU 17 HA GLU 17 8.017 -1.879 -1.708
92 HB2 GLU 17 1HB GLU 17 6.050 -0.106 -1.664
93 HB3 GLU 17 2HB GLU 17 6.229 -0.288 0.075
94 HG2 GLU 17 1HG GLU 17 7.519 1.595 -0.837
95 HG3 GLU 17 2HG GLU 17 8.528 0.394 -0.034
96 H CYS 18 H CYS 18 5.597 -2.302 0.879
97 HA CYS 18 HA CYS 18 7.757 -3.260 2.632
98 HB2 CYS 18 1HB CYS 18 6.160 -2.776 4.493
99 HB3 CYS 18 2HB CYS 18 6.622 -1.352 3.566
100 H GLY 19 H GLY 19 4.392 -3.922 1.690
101 HA2 GLY 19 1HA GLY 19 3.931 -6.278 1.074
102 HA3 GLY 19 2HA GLY 19 4.837 -6.727 2.512
103 H LYS 20 H LYS 20 2.879 -3.958 2.863
104 HA LYS 20 HA LYS 20 1.220 -5.283 4.790
105 HB2 LYS 20 1HB LYS 20 2.088 -2.840 4.805
106 HB3 LYS 20 2HB LYS 20 0.728 -2.510 3.740
107 HG2 LYS 20 1HG LYS 20 -0.825 -3.276 5.427
108 HG3 LYS 20 2HG LYS 20 0.513 -3.722 6.489
109 HD2 LYS 20 1HD LYS 20 1.220 -1.360 6.546
110 HD3 LYS 20 2HD LYS 20 -0.167 -0.938 5.538
111 HE2 LYS 20 1HE LYS 20 -1.692 -1.402 7.231
112 HE3 LYS 20 2HE LYS 20 -0.550 -2.410 8.118
113 HZ1 LYS 20 3HZ LYS 20 -0.492 0.547 7.867
114 HZ2 LYS 20 1HZ LYS 20 0.739 -0.368 8.582
115 HZ3 LYS 20 2HZ LYS 20 -0.808 -0.350 9.266
116 H ALA 21 H ALA 21 -0.766 -6.097 4.539
117 HA ALA 21 HA ALA 21 -1.968 -6.002 1.883
118 HB1 ALA 21 3HB ALA 21 -1.679 -8.175 3.009
119 HB2 ALA 21 1HB ALA 21 -2.775 -7.639 4.284
120 HB3 ALA 21 2HB ALA 21 -3.366 -7.827 2.632
121 H PHE 22 H PHE 22 -3.785 -4.925 1.393
122 HA PHE 22 HA PHE 22 -5.248 -3.634 3.602
123 HB2 PHE 22 1HB PHE 22 -4.772 -2.575 0.808
124 HB3 PHE 22 2HB PHE 22 -5.741 -1.781 2.045
125 HD1 PHE 22 HD2 PHE 22 -2.322 -2.820 1.133
126 HD2 PHE 22 HD1 PHE 22 -4.738 -0.483 3.743
127 HE1 PHE 22 HE2 PHE 22 -0.309 -1.679 1.969
128 HE2 PHE 22 HE1 PHE 22 -2.729 0.662 4.583
129 HZ PHE 22 HZ PHE 22 -0.511 0.064 3.697
130 H ALA 23 H ALA 23 -7.512 -2.919 2.839
131 HA ALA 23 HA ALA 23 -8.810 -5.284 1.739
132 HB1 ALA 23 3HB ALA 23 -10.555 -4.767 3.039
133 HB2 ALA 23 1HB ALA 23 -9.454 -3.635 3.826
134 HB3 ALA 23 2HB ALA 23 -10.536 -3.072 2.551
135 H ARG 24 H ARG 24 -8.651 -1.788 1.139
136 HA ARG 24 HA ARG 24 -9.994 -2.205 -1.438
137 HB2 ARG 24 1HB ARG 24 -9.373 0.422 -0.083
138 HB3 ARG 24 2HB ARG 24 -10.437 0.159 -1.458
139 HG2 ARG 24 1HG ARG 24 -12.141 -0.630 -0.171
140 HG3 ARG 24 2HG ARG 24 -11.057 -1.272 1.065
141 HD2 ARG 24 1HD ARG 24 -10.698 0.869 1.999
142 HD3 ARG 24 2HD ARG 24 -11.420 1.677 0.608
143 HE ARG 24 HE ARG 24 -13.458 1.417 1.592
144 HH11 ARG 24 1HH1 ARG 24 -11.256 -0.897 2.977
145 HH12 ARG 24 2HH1 ARG 24 -12.390 -1.467 4.156
146 HH21 ARG 24 1HH2 ARG 24 -14.961 0.675 3.140
147 HH22 ARG 24 2HH2 ARG 24 -14.498 -0.572 4.248
148 H LYS 25 H LYS 25 -9.096 -1.433 -3.365
149 HA LYS 25 HA LYS 25 -6.291 -1.688 -3.593
150 HB2 LYS 25 1HB LYS 25 -7.626 -2.287 -5.472
151 HB3 LYS 25 2HB LYS 25 -8.412 -0.714 -5.503
152 HG2 LYS 25 1HG LYS 25 -6.902 -0.686 -7.290
153 HG3 LYS 25 2HG LYS 25 -6.123 0.254 -6.015
154 HD2 LYS 25 1HD LYS 25 -4.800 -1.719 -5.387
155 HD3 LYS 25 2HD LYS 25 -5.567 -2.637 -6.685
156 HE2 LYS 25 1HE LYS 25 -4.646 -1.062 -8.326
157 HE3 LYS 25 2HE LYS 25 -3.868 -0.166 -7.022
158 HZ1 LYS 25 3HZ LYS 25 -3.013 -2.699 -6.615
159 HZ2 LYS 25 1HZ LYS 25 -2.140 -1.494 -7.421
160 HZ3 LYS 25 2HZ LYS 25 -3.057 -2.608 -8.304
161 H SER 26 H SER 26 -8.399 1.155 -4.033
162 HA SER 26 HA SER 26 -6.462 3.061 -4.493
163 HB2 SER 26 1HB SER 26 -8.078 4.714 -3.687
164 HB3 SER 26 2HB SER 26 -8.891 3.487 -4.657
165 HG SER 26 HG SER 26 -9.950 4.037 -2.637
166 H THR 27 H THR 27 -7.741 1.972 -1.364
167 HA THR 27 HA THR 27 -6.483 3.656 0.373
168 HB THR 27 HB THR 27 -6.889 0.677 0.670
169 HG1 THR 27 HG1 THR 27 -8.663 2.451 0.498
170 HG21 THR 27 3HG2 THR 27 -6.729 1.172 3.131
171 HG22 THR 27 1HG2 THR 27 -6.067 2.748 2.702
172 HG23 THR 27 2HG2 THR 27 -5.205 1.277 2.252
173 H LEU 28 H LEU 28 -5.098 0.616 -0.877
174 HA LEU 28 HA LEU 28 -2.639 0.679 0.331
175 HB2 LEU 28 1HB LEU 28 -3.201 -1.214 -0.947
176 HB3 LEU 28 2HB LEU 28 -3.470 -0.253 -2.399
177 HG LEU 28 HG LEU 28 -1.070 0.129 -2.605
178 HD11 LEU 28 1HD1 LEU 28 0.489 -0.463 -1.072
179 HD12 LEU 28 2HD1 LEU 28 -0.425 -1.866 -0.518
180 HD13 LEU 28 3HD1 LEU 28 -0.875 -0.250 0.026
181 HD21 LEU 28 3HD2 LEU 28 -1.988 -2.722 -2.342
182 HD22 LEU 28 1HD2 LEU 28 -0.396 -2.289 -2.964
183 HD23 LEU 28 2HD2 LEU 28 -1.848 -1.745 -3.804
184 H ILE 29 H ILE 29 -3.500 2.194 -2.774
185 HA ILE 29 HA ILE 29 -1.073 3.282 -3.468
186 HB ILE 29 HB ILE 29 -3.865 4.324 -3.867
187 HG12 ILE 29 1HG1 ILE 29 -3.102 3.798 -6.299
188 HG13 ILE 29 2HG1 ILE 29 -1.821 2.872 -5.524
189 HG21 ILE 29 1HG2 ILE 29 -2.608 5.784 -5.653
190 HG22 ILE 29 2HG2 ILE 29 -2.797 6.346 -3.993
191 HG23 ILE 29 3HG2 ILE 29 -1.271 5.633 -4.514
192 HD11 ILE 29 3HD1 ILE 29 -3.233 1.254 -4.818
193 HD12 ILE 29 1HD1 ILE 29 -4.588 2.364 -4.618
194 HD13 ILE 29 2HD1 ILE 29 -4.140 1.800 -6.228
195 H MET 30 H MET 30 -3.593 4.845 -1.485
196 HA MET 30 HA MET 30 -2.257 7.208 -0.927
197 HB2 MET 30 1HB MET 30 -3.981 5.801 1.101
198 HB3 MET 30 2HB MET 30 -3.789 7.530 0.845
199 HG2 MET 30 1HG MET 30 -5.264 5.560 -0.873
200 HG3 MET 30 2HG MET 30 -5.915 6.938 0.011
201 HE1 MET 30 3HE MET 30 -6.568 7.307 -3.628
202 HE2 MET 30 1HE MET 30 -5.125 6.373 -4.025
203 HE3 MET 30 2HE MET 30 -6.217 5.811 -2.759
204 H HIS 31 H HIS 31 -1.926 4.041 0.547
205 HA HIS 31 HA HIS 31 -0.328 4.894 2.746
206 HB2 HIS 31 1HB HIS 31 -1.258 2.838 3.187
207 HB3 HIS 31 2HB HIS 31 -1.072 2.277 1.528
208 HD1 HIS 31 HD1 HIS 31 0.676 2.413 4.808
209 HD2 HIS 31 HD2 HIS 31 1.441 1.136 0.929
210 HE1 HIS 31 HE1 HIS 31 2.756 1.008 4.961
211 H GLN 32 H GLN 32 0.481 3.239 -0.307
212 HA GLN 32 HA GLN 32 3.165 2.974 -0.118
213 HB2 GLN 32 1HB GLN 32 1.529 3.869 -2.487
214 HB3 GLN 32 2HB GLN 32 3.242 3.491 -2.608
215 HG2 GLN 32 1HG GLN 32 2.763 1.220 -1.767
216 HG3 GLN 32 2HG GLN 32 1.045 1.614 -1.770
217 HE21 GLN 32 1HE2 GLN 32 3.019 -0.202 -3.347
218 HE22 GLN 32 2HE2 GLN 32 2.496 0.005 -4.980
219 H ARG 33 H ARG 33 1.404 5.959 -0.408
220 HA ARG 33 HA ARG 33 3.336 7.711 -1.308
221 HB2 ARG 33 1HB ARG 33 1.199 8.137 0.784
222 HB3 ARG 33 2HB ARG 33 2.151 9.436 0.077
223 HG2 ARG 33 1HG ARG 33 1.231 9.024 -2.089
224 HG3 ARG 33 2HG ARG 33 0.427 7.559 -1.522
225 HD2 ARG 33 1HD ARG 33 -1.180 9.353 -1.679
226 HD3 ARG 33 2HD ARG 33 -0.926 8.935 0.015
227 HE ARG 33 HE ARG 33 0.721 11.103 -0.919
228 HH11 ARG 33 1HH1 ARG 33 -2.351 10.209 0.453
229 HH12 ARG 33 2HH1 ARG 33 -2.641 11.769 1.150
230 HH21 ARG 33 1HH2 ARG 33 0.351 13.160 -0.007
231 HH22 ARG 33 2HH2 ARG 33 -1.104 13.447 0.887
232 H ILE 34 H ILE 34 2.800 6.539 1.994
233 HA ILE 34 HA ILE 34 4.554 8.068 3.426
234 HB ILE 34 HB ILE 34 4.653 6.380 5.048
235 HG12 ILE 34 1HG1 ILE 34 4.107 4.387 2.838
236 HG13 ILE 34 2HG1 ILE 34 5.639 4.619 3.671
237 HG21 ILE 34 1HG2 ILE 34 2.461 6.304 5.429
238 HG22 ILE 34 2HG2 ILE 34 2.246 7.005 3.826
239 HG23 ILE 34 3HG2 ILE 34 2.185 5.256 4.038
240 HD11 ILE 34 3HD1 ILE 34 4.365 4.015 5.797
241 HD12 ILE 34 1HD1 ILE 34 3.100 3.431 4.717
242 HD13 ILE 34 2HD1 ILE 34 4.714 2.722 4.650
243 H HIS 35 H HIS 35 5.310 5.405 1.260
244 HA HIS 35 HA HIS 35 8.055 5.194 1.963
245 HB2 HIS 35 1HB HIS 35 6.585 4.357 -0.543
246 HB3 HIS 35 2HB HIS 35 8.253 3.927 -0.177
247 HD1 HIS 35 HD1 HIS 35 8.263 2.846 2.531
248 HD2 HIS 35 HD2 HIS 35 5.021 2.237 0.005
249 HE1 HIS 35 HE1 HIS 35 7.078 0.821 3.435
250 H THR 36 H THR 36 6.545 6.507 -0.993
251 HA THR 36 HA THR 36 8.943 7.815 -1.820
252 HB THR 36 HB THR 36 7.280 7.082 -3.462
253 HG1 THR 36 HG1 THR 36 7.354 8.970 -4.703
254 HG21 THR 36 3HG2 THR 36 5.112 7.837 -3.578
255 HG22 THR 36 1HG2 THR 36 5.480 9.352 -2.756
256 HG23 THR 36 2HG2 THR 36 5.357 7.855 -1.832
257 H GLY 37 H GLY 37 9.694 9.343 -0.436
258 HA2 GLY 37 1HA GLY 37 9.104 11.914 -0.439
259 HA3 GLY 37 2HA GLY 37 7.845 11.335 0.642
260 H GLU 38 H GLU 38 8.755 12.682 2.286
261 HA GLU 38 HA GLU 38 10.254 13.266 3.936
262 HB2 GLU 38 1HB GLU 38 8.958 11.292 4.784
263 HB3 GLU 38 2HB GLU 38 10.295 10.266 4.285
264 HG2 GLU 38 1HG GLU 38 11.719 11.110 5.910
265 HG3 GLU 38 2HG GLU 38 10.748 12.563 6.143
266 H LYS 39 H LYS 39 11.590 13.163 1.498
267 HA LYS 39 HA LYS 39 13.782 11.604 1.152
268 HB2 LYS 39 1HB LYS 39 13.520 14.589 0.795
269 HB3 LYS 39 2HB LYS 39 14.932 13.687 0.260
270 HG2 LYS 39 1HG LYS 39 13.783 12.620 -1.423
271 HG3 LYS 39 2HG LYS 39 12.219 12.826 -0.631
272 HD2 LYS 39 1HD LYS 39 12.611 15.349 -1.022
273 HD3 LYS 39 2HD LYS 39 13.828 14.823 -2.187
274 HE2 LYS 39 1HE LYS 39 11.829 15.144 -3.411
275 HE3 LYS 39 2HE LYS 39 12.032 13.401 -3.242
276 HZ1 LYS 39 3HZ LYS 39 10.313 13.261 -1.734
277 HZ2 LYS 39 1HZ LYS 39 9.740 14.455 -2.786
278 HZ3 LYS 39 2HZ LYS 39 10.404 14.891 -1.293
279 HA PRO 40 HA PRO 40 16.412 12.048 4.650
280 HB2 PRO 40 1HB PRO 40 18.792 11.421 3.504
281 HB3 PRO 40 2HB PRO 40 17.544 10.217 3.849
282 HG2 PRO 40 1HG PRO 40 18.195 11.585 1.267
283 HG3 PRO 40 2HG PRO 40 17.814 9.879 1.564
284 HD2 PRO 40 1HD PRO 40 15.991 11.631 0.595
285 HD3 PRO 40 2HD PRO 40 15.544 10.269 1.642
286 H SER 41 H SER 41 17.078 13.880 5.559
287 HA SER 41 HA SER 41 18.635 15.780 3.930
288 HB2 SER 41 1HB SER 41 17.577 17.622 5.122
289 HB3 SER 41 2HB SER 41 16.337 16.606 4.387
290 HG SER 41 HG SER 41 17.103 15.987 6.989
291 H GLY 42 H GLY 42 20.339 16.852 4.930
292 HA2 GLY 42 1HA GLY 42 21.609 15.418 7.049
293 HA3 GLY 42 2HA GLY 42 22.195 16.894 6.295
294 HA PRO 43 HA PRO 43 21.060 19.304 9.771
295 HB2 PRO 43 1HB PRO 43 19.871 21.498 8.703
296 HB3 PRO 43 2HB PRO 43 21.607 21.189 8.577
297 HG2 PRO 43 1HG PRO 43 19.446 20.701 6.564
298 HG3 PRO 43 2HG PRO 43 21.065 21.381 6.324
299 HD2 PRO 43 1HD PRO 43 20.468 18.804 5.746
300 HD3 PRO 43 2HD PRO 43 22.072 19.308 6.314
301 H SER 44 H SER 44 19.512 17.928 10.739
302 HA SER 44 HA SER 44 16.832 17.693 10.012
303 HB2 SER 44 1HB SER 44 16.460 16.947 12.355
304 HB3 SER 44 2HB SER 44 17.854 16.168 11.607
305 HG SER 44 HG SER 44 18.284 18.531 13.029
306 H SER 45 H SER 45 15.333 19.211 9.870
307 HA SER 45 HA SER 45 15.107 21.207 11.994
308 HB2 SER 45 1HB SER 45 14.852 23.043 10.395
309 HB3 SER 45 2HB SER 45 16.430 22.278 10.204
310 HG SER 45 HG SER 45 15.894 21.953 8.211
311 H GLY 46 H GLY 46 13.104 21.076 12.744
312 HA2 GLY 46 1HA GLY 46 10.748 21.641 11.983
313 HA3 GLY 46 2HA GLY 46 10.958 20.293 10.875
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -25.389 -17.939 9.601
2 HA2 GLY 1 1HA GLY 1 -24.023 -16.812 7.274
3 HA3 GLY 1 2HA GLY 1 -23.533 -16.636 8.953
4 H SER 2 H SER 2 -23.974 -19.229 6.545
5 HA SER 2 HA SER 2 -22.211 -21.051 7.722
6 HB2 SER 2 1HB SER 2 -23.302 -20.696 4.953
7 HB3 SER 2 2HB SER 2 -22.031 -21.886 5.236
8 HG SER 2 HG SER 2 -23.499 -22.606 7.022
9 H SER 3 H SER 3 -21.612 -18.931 4.914
10 HA SER 3 HA SER 3 -18.942 -18.355 5.809
11 HB2 SER 3 1HB SER 3 -19.412 -20.194 3.467
12 HB3 SER 3 2HB SER 3 -17.939 -19.236 3.613
13 HG SER 3 HG SER 3 -17.446 -21.100 4.612
14 H GLY 4 H GLY 4 -18.256 -16.438 5.027
15 HA2 GLY 4 1HA GLY 4 -18.110 -14.597 3.623
16 HA3 GLY 4 2HA GLY 4 -19.203 -15.401 2.506
17 H SER 5 H SER 5 -18.970 -13.364 5.337
18 HA SER 5 HA SER 5 -21.679 -13.098 5.955
19 HB2 SER 5 1HB SER 5 -19.412 -11.114 6.238
20 HB3 SER 5 2HB SER 5 -21.012 -10.888 6.944
21 HG SER 5 HG SER 5 -19.076 -12.852 7.552
22 H SER 6 H SER 6 -19.657 -11.045 3.860
23 HA SER 6 HA SER 6 -22.131 -10.106 2.562
24 HB2 SER 6 1HB SER 6 -20.706 -8.424 3.933
25 HB3 SER 6 2HB SER 6 -19.584 -8.507 2.575
26 HG SER 6 HG SER 6 -20.878 -7.265 1.497
27 H GLY 7 H GLY 7 -22.025 -9.687 0.292
28 HA2 GLY 7 1HA GLY 7 -20.481 -11.640 -1.122
29 HA3 GLY 7 2HA GLY 7 -21.578 -10.465 -1.833
30 H THR 8 H THR 8 -18.408 -10.573 -0.207
31 HA THR 8 HA THR 8 -17.334 -8.885 -2.347
32 HB THR 8 HB THR 8 -16.919 -8.312 0.594
33 HG1 THR 8 HG1 THR 8 -18.762 -7.295 0.196
34 HG21 THR 8 3HG2 THR 8 -15.836 -6.205 -0.489
35 HG22 THR 8 1HG2 THR 8 -15.661 -7.242 -1.903
36 HG23 THR 8 2HG2 THR 8 -14.904 -7.697 -0.377
37 H GLY 9 H GLY 9 -15.802 -10.128 -3.218
38 HA2 GLY 9 1HA GLY 9 -14.522 -12.293 -2.070
39 HA3 GLY 9 2HA GLY 9 -13.870 -11.356 -3.406
40 H GLU 10 H GLU 10 -12.236 -12.565 -1.511
41 HA GLU 10 HA GLU 10 -11.458 -10.609 0.460
42 HB2 GLU 10 1HB GLU 10 -10.096 -13.169 -0.398
43 HB3 GLU 10 2HB GLU 10 -9.659 -12.199 1.001
44 HG2 GLU 10 1HG GLU 10 -11.725 -12.690 2.082
45 HG3 GLU 10 2HG GLU 10 -12.361 -13.463 0.631
46 H ARG 11 H ARG 11 -11.392 -9.477 -2.063
47 HA ARG 11 HA ARG 11 -8.892 -9.558 -3.345
48 HB2 ARG 11 1HB ARG 11 -11.105 -7.525 -3.259
49 HB3 ARG 11 2HB ARG 11 -9.614 -7.202 -4.133
50 HG2 ARG 11 1HG ARG 11 -10.118 -9.521 -5.238
51 HG3 ARG 11 2HG ARG 11 -11.767 -9.171 -4.716
52 HD2 ARG 11 1HD ARG 11 -11.337 -6.858 -5.829
53 HD3 ARG 11 2HD ARG 11 -10.043 -7.707 -6.673
54 HE ARG 11 HE ARG 11 -12.156 -9.314 -7.094
55 HH11 ARG 11 1HH1 ARG 11 -11.706 -5.883 -7.473
56 HH12 ARG 11 2HH1 ARG 11 -12.838 -5.747 -8.778
57 HH21 ARG 11 1HH2 ARG 11 -13.649 -9.148 -8.811
58 HH22 ARG 11 2HH2 ARG 11 -13.943 -7.604 -9.537
59 H HIS 12 H HIS 12 -7.373 -9.548 -1.602
60 HA HIS 12 HA HIS 12 -7.038 -6.957 -0.256
61 HB2 HIS 12 1HB HIS 12 -5.823 -8.064 1.438
62 HB3 HIS 12 2HB HIS 12 -7.171 -9.137 1.077
63 HD1 HIS 12 HD1 HIS 12 -6.610 -11.346 -0.205
64 HD2 HIS 12 HD2 HIS 12 -3.303 -9.090 0.903
65 HE1 HIS 12 HE1 HIS 12 -4.632 -12.875 -0.476
66 H TYR 13 H TYR 13 -5.687 -5.616 -1.239
67 HA TYR 13 HA TYR 13 -3.561 -6.663 -2.936
68 HB2 TYR 13 1HB TYR 13 -4.466 -3.814 -2.465
69 HB3 TYR 13 2HB TYR 13 -3.278 -4.327 -3.658
70 HD1 TYR 13 HD2 TYR 13 -6.809 -5.044 -2.662
71 HD2 TYR 13 HD1 TYR 13 -3.992 -4.666 -5.827
72 HE1 TYR 13 HE2 TYR 13 -8.611 -5.390 -4.299
73 HE2 TYR 13 HE1 TYR 13 -5.786 -5.010 -7.474
74 HH TYR 13 HH TYR 13 -8.523 -6.349 -6.958
75 H GLU 14 H GLU 14 -1.518 -6.824 -2.300
76 HA GLU 14 HA GLU 14 -0.745 -5.636 0.259
77 HB2 GLU 14 1HB GLU 14 -0.399 -8.141 -0.520
78 HB3 GLU 14 2HB GLU 14 1.044 -7.473 -1.270
79 HG2 GLU 14 1HG GLU 14 2.016 -6.944 0.750
80 HG3 GLU 14 2HG GLU 14 0.473 -6.902 1.601
81 H CYS 15 H CYS 15 1.337 -4.601 0.487
82 HA CYS 15 HA CYS 15 1.929 -2.909 -1.807
83 HB2 CYS 15 1HB CYS 15 1.600 -1.878 0.412
84 HB3 CYS 15 2HB CYS 15 2.976 -2.786 1.030
85 H SER 16 H SER 16 3.419 -3.541 -3.209
86 HA SER 16 HA SER 16 5.269 -5.612 -2.753
87 HB2 SER 16 1HB SER 16 4.990 -3.514 -4.890
88 HB3 SER 16 2HB SER 16 6.366 -4.617 -4.882
89 HG SER 16 HG SER 16 4.352 -5.229 -6.088
90 H GLU 17 H GLU 17 5.277 -2.490 -1.605
91 HA GLU 17 HA GLU 17 8.145 -2.085 -1.678
92 HB2 GLU 17 1HB GLU 17 6.273 -0.274 -1.754
93 HB3 GLU 17 2HB GLU 17 6.249 -0.468 -0.007
94 HG2 GLU 17 1HG GLU 17 7.691 1.392 -0.961
95 HG3 GLU 17 2HG GLU 17 8.427 0.326 0.234
96 H CYS 18 H CYS 18 5.712 -2.385 0.916
97 HA CYS 18 HA CYS 18 7.845 -3.395 2.675
98 HB2 CYS 18 1HB CYS 18 6.348 -2.723 4.549
99 HB3 CYS 18 2HB CYS 18 6.855 -1.369 3.543
100 H GLY 19 H GLY 19 4.479 -3.892 1.688
101 HA2 GLY 19 1HA GLY 19 3.881 -6.247 1.211
102 HA3 GLY 19 2HA GLY 19 4.699 -6.657 2.712
103 H LYS 20 H LYS 20 2.868 -3.757 2.714
104 HA LYS 20 HA LYS 20 1.123 -4.741 4.742
105 HB2 LYS 20 1HB LYS 20 1.525 -2.157 3.325
106 HB3 LYS 20 2HB LYS 20 -0.027 -2.412 4.112
107 HG2 LYS 20 1HG LYS 20 1.541 -3.134 6.125
108 HG3 LYS 20 2HG LYS 20 2.668 -2.061 5.290
109 HD2 LYS 20 1HD LYS 20 1.409 -0.198 5.697
110 HD3 LYS 20 2HD LYS 20 -0.111 -1.096 5.714
111 HE2 LYS 20 1HE LYS 20 1.978 -0.986 7.884
112 HE3 LYS 20 2HE LYS 20 0.344 -0.326 7.938
113 HZ1 LYS 20 3HZ LYS 20 0.078 -3.010 7.330
114 HZ2 LYS 20 1HZ LYS 20 -0.304 -2.248 8.792
115 HZ3 LYS 20 2HZ LYS 20 1.225 -2.937 8.571
116 H ALA 21 H ALA 21 -0.696 -5.840 4.483
117 HA ALA 21 HA ALA 21 -1.930 -5.978 1.844
118 HB1 ALA 21 3HB ALA 21 -3.261 -7.564 3.841
119 HB2 ALA 21 1HB ALA 21 -2.409 -8.077 2.384
120 HB3 ALA 21 2HB ALA 21 -1.520 -7.839 3.889
121 H PHE 22 H PHE 22 -3.596 -4.736 1.327
122 HA PHE 22 HA PHE 22 -5.272 -3.652 3.493
123 HB2 PHE 22 1HB PHE 22 -4.792 -2.493 0.739
124 HB3 PHE 22 2HB PHE 22 -5.761 -1.765 2.016
125 HD1 PHE 22 HD2 PHE 22 -2.352 -2.596 0.934
126 HD2 PHE 22 HD1 PHE 22 -4.746 -0.604 3.836
127 HE1 PHE 22 HE2 PHE 22 -0.354 -1.439 1.784
128 HE2 PHE 22 HE1 PHE 22 -2.751 0.556 4.690
129 HZ PHE 22 HZ PHE 22 -0.551 0.138 3.664
130 H ALA 23 H ALA 23 -7.549 -3.189 2.854
131 HA ALA 23 HA ALA 23 -8.664 -5.529 1.565
132 HB1 ALA 23 3HB ALA 23 -10.435 -3.344 2.484
133 HB2 ALA 23 1HB ALA 23 -10.579 -5.090 2.695
134 HB3 ALA 23 2HB ALA 23 -9.472 -4.167 3.712
135 H ARG 24 H ARG 24 -8.704 -2.013 1.077
136 HA ARG 24 HA ARG 24 -9.960 -2.418 -1.543
137 HB2 ARG 24 1HB ARG 24 -9.476 0.196 -0.112
138 HB3 ARG 24 2HB ARG 24 -10.506 -0.078 -1.510
139 HG2 ARG 24 1HG ARG 24 -12.194 -0.970 -0.271
140 HG3 ARG 24 2HG ARG 24 -11.103 -1.596 0.967
141 HD2 ARG 24 1HD ARG 24 -10.862 0.524 1.969
142 HD3 ARG 24 2HD ARG 24 -11.566 1.347 0.579
143 HE ARG 24 HE ARG 24 -13.330 -0.500 1.931
144 HH11 ARG 24 1HH1 ARG 24 -12.193 2.780 1.680
145 HH12 ARG 24 2HH1 ARG 24 -13.604 3.464 2.417
146 HH21 ARG 24 1HH2 ARG 24 -15.193 0.388 2.902
147 HH22 ARG 24 2HH2 ARG 24 -15.310 2.102 3.112
148 H LYS 25 H LYS 25 -9.058 -1.567 -3.432
149 HA LYS 25 HA LYS 25 -6.246 -1.706 -3.620
150 HB2 LYS 25 1HB LYS 25 -7.531 -2.278 -5.542
151 HB3 LYS 25 2HB LYS 25 -8.368 -0.731 -5.529
152 HG2 LYS 25 1HG LYS 25 -6.869 -0.457 -7.251
153 HG3 LYS 25 2HG LYS 25 -6.001 0.265 -5.894
154 HD2 LYS 25 1HD LYS 25 -4.754 -1.811 -5.580
155 HD3 LYS 25 2HD LYS 25 -5.638 -2.554 -6.914
156 HE2 LYS 25 1HE LYS 25 -4.086 -0.018 -7.302
157 HE3 LYS 25 2HE LYS 25 -3.290 -1.590 -7.368
158 HZ1 LYS 25 3HZ LYS 25 -4.503 -0.356 -9.450
159 HZ2 LYS 25 1HZ LYS 25 -5.684 -1.460 -8.950
160 HZ3 LYS 25 2HZ LYS 25 -4.140 -2.007 -9.370
161 H SER 26 H SER 26 -8.404 1.093 -4.130
162 HA SER 26 HA SER 26 -6.544 3.069 -4.447
163 HB2 SER 26 1HB SER 26 -9.267 3.061 -3.185
164 HB3 SER 26 2HB SER 26 -8.302 4.536 -3.178
165 HG SER 26 HG SER 26 -9.825 3.821 -5.083
166 H THR 27 H THR 27 -7.794 1.816 -1.371
167 HA THR 27 HA THR 27 -6.602 3.492 0.430
168 HB THR 27 HB THR 27 -6.884 0.491 0.661
169 HG1 THR 27 HG1 THR 27 -8.708 1.396 2.062
170 HG21 THR 27 3HG2 THR 27 -7.039 1.393 3.195
171 HG22 THR 27 1HG2 THR 27 -5.878 2.543 2.533
172 HG23 THR 27 2HG2 THR 27 -5.544 0.813 2.460
173 H LEU 28 H LEU 28 -5.131 0.533 -0.912
174 HA LEU 28 HA LEU 28 -2.683 0.622 0.322
175 HB2 LEU 28 1HB LEU 28 -3.122 -1.257 -0.985
176 HB3 LEU 28 2HB LEU 28 -3.525 -0.290 -2.402
177 HG LEU 28 HG LEU 28 -1.153 0.268 -2.685
178 HD11 LEU 28 1HD1 LEU 28 -0.499 0.116 -0.323
179 HD12 LEU 28 2HD1 LEU 28 0.550 -0.841 -1.367
180 HD13 LEU 28 3HD1 LEU 28 -0.687 -1.636 -0.394
181 HD21 LEU 28 3HD2 LEU 28 -1.242 -1.493 -4.037
182 HD22 LEU 28 1HD2 LEU 28 -2.338 -2.346 -2.949
183 HD23 LEU 28 2HD2 LEU 28 -0.593 -2.464 -2.715
184 H ILE 29 H ILE 29 -3.581 2.218 -2.728
185 HA ILE 29 HA ILE 29 -1.187 3.374 -3.409
186 HB ILE 29 HB ILE 29 -3.990 4.430 -3.707
187 HG12 ILE 29 1HG1 ILE 29 -3.336 3.937 -6.165
188 HG13 ILE 29 2HG1 ILE 29 -2.015 3.003 -5.471
189 HG21 ILE 29 1HG2 ILE 29 -2.761 5.905 -5.503
190 HG22 ILE 29 2HG2 ILE 29 -2.900 6.439 -3.828
191 HG23 ILE 29 3HG2 ILE 29 -1.397 5.715 -4.401
192 HD11 ILE 29 3HD1 ILE 29 -3.360 1.325 -4.868
193 HD12 ILE 29 1HD1 ILE 29 -4.649 2.408 -4.343
194 HD13 ILE 29 2HD1 ILE 29 -4.465 2.020 -6.054
195 H MET 30 H MET 30 -3.701 4.848 -1.350
196 HA MET 30 HA MET 30 -2.425 7.202 -0.711
197 HB2 MET 30 1HB MET 30 -4.015 5.617 1.300
198 HB3 MET 30 2HB MET 30 -3.869 7.364 1.171
199 HG2 MET 30 1HG MET 30 -5.378 5.495 -0.626
200 HG3 MET 30 2HG MET 30 -6.013 6.799 0.375
201 HE1 MET 30 3HE MET 30 -6.205 5.745 -2.520
202 HE2 MET 30 1HE MET 30 -6.708 7.249 -3.292
203 HE3 MET 30 2HE MET 30 -5.172 6.504 -3.732
204 H HIS 31 H HIS 31 -2.003 4.011 0.740
205 HA HIS 31 HA HIS 31 -0.295 4.847 2.842
206 HB2 HIS 31 1HB HIS 31 -1.154 2.761 3.278
207 HB3 HIS 31 2HB HIS 31 -1.035 2.241 1.600
208 HD1 HIS 31 HD1 HIS 31 0.891 2.386 4.786
209 HD2 HIS 31 HD2 HIS 31 1.443 1.132 0.864
210 HE1 HIS 31 HE1 HIS 31 3.000 1.017 4.809
211 H GLN 32 H GLN 32 0.398 3.313 -0.299
212 HA GLN 32 HA GLN 32 3.078 3.057 -0.273
213 HB2 GLN 32 1HB GLN 32 1.351 4.144 -2.495
214 HB3 GLN 32 2HB GLN 32 3.047 3.734 -2.716
215 HG2 GLN 32 1HG GLN 32 2.585 1.427 -2.106
216 HG3 GLN 32 2HG GLN 32 0.890 1.828 -1.836
217 HE21 GLN 32 1HE2 GLN 32 1.891 -0.131 -3.635
218 HE22 GLN 32 2HE2 GLN 32 1.428 0.343 -5.231
219 H ARG 33 H ARG 33 1.320 6.065 -0.303
220 HA ARG 33 HA ARG 33 3.204 7.876 -1.152
221 HB2 ARG 33 1HB ARG 33 1.257 8.185 1.140
222 HB3 ARG 33 2HB ARG 33 2.104 9.509 0.353
223 HG2 ARG 33 1HG ARG 33 0.936 9.162 -1.682
224 HG3 ARG 33 2HG ARG 33 0.270 7.631 -1.110
225 HD2 ARG 33 1HD ARG 33 -1.526 8.991 -0.744
226 HD3 ARG 33 2HD ARG 33 -0.699 9.172 0.802
227 HE ARG 33 HE ARG 33 0.089 11.124 -1.149
228 HH11 ARG 33 1HH1 ARG 33 -2.253 10.318 1.297
229 HH12 ARG 33 2HH1 ARG 33 -2.696 11.966 1.600
230 HH21 ARG 33 1HH2 ARG 33 -0.485 13.297 -0.759
231 HH22 ARG 33 2HH2 ARG 33 -1.690 13.659 0.430
232 H ILE 34 H ILE 34 2.824 6.546 2.121
233 HA ILE 34 HA ILE 34 4.707 7.940 3.513
234 HB ILE 34 HB ILE 34 4.855 6.168 5.039
235 HG12 ILE 34 1HG1 ILE 34 4.085 4.285 2.798
236 HG13 ILE 34 2HG1 ILE 34 5.704 4.474 3.463
237 HG21 ILE 34 1HG2 ILE 34 2.679 6.002 5.547
238 HG22 ILE 34 2HG2 ILE 34 2.424 6.971 4.097
239 HG23 ILE 34 3HG2 ILE 34 2.285 5.215 4.019
240 HD11 ILE 34 3HD1 ILE 34 4.865 2.545 4.463
241 HD12 ILE 34 1HD1 ILE 34 4.676 3.795 5.693
242 HD13 ILE 34 2HD1 ILE 34 3.283 3.270 4.747
243 H HIS 35 H HIS 35 5.262 5.386 1.165
244 HA HIS 35 HA HIS 35 8.055 5.123 1.695
245 HB2 HIS 35 1HB HIS 35 6.350 4.281 -0.653
246 HB3 HIS 35 2HB HIS 35 8.066 3.907 -0.514
247 HD1 HIS 35 HD1 HIS 35 8.508 2.752 2.096
248 HD2 HIS 35 HD2 HIS 35 4.904 2.150 0.119
249 HE1 HIS 35 HE1 HIS 35 7.510 0.688 3.130
250 H THR 36 H THR 36 6.318 6.483 -1.112
251 HA THR 36 HA THR 36 8.646 7.757 -2.149
252 HB THR 36 HB THR 36 6.835 7.116 -3.644
253 HG1 THR 36 HG1 THR 36 6.477 9.438 -4.484
254 HG21 THR 36 3HG2 THR 36 4.970 7.500 -2.069
255 HG22 THR 36 1HG2 THR 36 4.692 8.255 -3.638
256 HG23 THR 36 2HG2 THR 36 5.191 9.239 -2.262
257 H GLY 37 H GLY 37 9.418 9.773 -1.849
258 HA2 GLY 37 1HA GLY 37 9.529 11.972 -1.146
259 HA3 GLY 37 2HA GLY 37 7.807 11.905 -0.800
260 H GLU 38 H GLU 38 10.347 9.817 0.502
261 HA GLU 38 HA GLU 38 10.269 11.163 3.068
262 HB2 GLU 38 1HB GLU 38 8.946 8.548 2.551
263 HB3 GLU 38 2HB GLU 38 9.834 8.724 4.058
264 HG2 GLU 38 1HG GLU 38 7.599 10.506 3.116
265 HG3 GLU 38 2HG GLU 38 7.469 9.238 4.333
266 H LYS 39 H LYS 39 12.218 11.100 3.976
267 HA LYS 39 HA LYS 39 14.116 9.047 3.045
268 HB2 LYS 39 1HB LYS 39 15.898 10.634 3.379
269 HB3 LYS 39 2HB LYS 39 14.661 11.382 2.378
270 HG2 LYS 39 1HG LYS 39 13.976 12.813 4.064
271 HG3 LYS 39 2HG LYS 39 14.667 11.804 5.337
272 HD2 LYS 39 1HD LYS 39 16.902 12.425 4.680
273 HD3 LYS 39 2HD LYS 39 16.284 13.313 3.285
274 HE2 LYS 39 1HE LYS 39 14.970 14.693 5.008
275 HE3 LYS 39 2HE LYS 39 16.062 13.990 6.200
276 HZ1 LYS 39 3HZ LYS 39 16.597 15.965 4.130
277 HZ2 LYS 39 1HZ LYS 39 17.816 14.826 4.410
278 HZ3 LYS 39 2HZ LYS 39 17.268 15.806 5.675
279 HA PRO 40 HA PRO 40 14.410 7.572 7.182
280 HB2 PRO 40 1HB PRO 40 16.861 6.412 7.055
281 HB3 PRO 40 2HB PRO 40 15.428 5.716 6.289
282 HG2 PRO 40 1HG PRO 40 17.625 7.345 5.071
283 HG3 PRO 40 2HG PRO 40 16.831 5.889 4.443
284 HD2 PRO 40 1HD PRO 40 16.199 8.378 3.584
285 HD3 PRO 40 2HD PRO 40 15.007 7.065 3.667
286 H SER 41 H SER 41 14.503 9.606 8.259
287 HA SER 41 HA SER 41 17.188 10.251 9.238
288 HB2 SER 41 1HB SER 41 15.224 12.180 8.017
289 HB3 SER 41 2HB SER 41 16.440 12.722 9.174
290 HG SER 41 HG SER 41 17.306 11.133 7.057
291 H GLY 42 H GLY 42 17.288 10.765 11.376
292 HA2 GLY 42 1HA GLY 42 16.353 11.608 13.413
293 HA3 GLY 42 2HA GLY 42 14.756 11.183 12.814
294 HA PRO 43 HA PRO 43 16.419 7.903 15.758
295 HB2 PRO 43 1HB PRO 43 14.507 8.196 17.662
296 HB3 PRO 43 2HB PRO 43 16.018 9.114 17.668
297 HG2 PRO 43 1HG PRO 43 13.300 9.945 16.728
298 HG3 PRO 43 2HG PRO 43 14.482 10.860 17.681
299 HD2 PRO 43 1HD PRO 43 14.151 11.236 15.020
300 HD3 PRO 43 2HD PRO 43 15.721 11.435 15.825
301 H SER 44 H SER 44 15.817 5.939 15.121
302 HA SER 44 HA SER 44 12.960 5.441 14.595
303 HB2 SER 44 1HB SER 44 14.480 5.452 12.559
304 HB3 SER 44 2HB SER 44 15.243 4.010 13.228
305 HG SER 44 HG SER 44 13.690 3.128 12.054
306 H SER 45 H SER 45 12.048 3.936 15.821
307 HA SER 45 HA SER 45 13.762 1.877 17.043
308 HB2 SER 45 1HB SER 45 13.174 3.613 18.713
309 HB3 SER 45 2HB SER 45 11.465 3.300 18.411
310 HG SER 45 HG SER 45 13.300 1.847 19.864
311 H GLY 46 H GLY 46 12.900 -0.170 17.216
312 HA2 GLY 46 1HA GLY 46 10.838 -1.546 17.278
313 HA3 GLY 46 2HA GLY 46 10.250 -0.544 15.960
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -2.737 -24.851 7.383
2 HA2 GLY 1 1HA GLY 1 -2.283 -26.630 5.971
3 HA3 GLY 1 2HA GLY 1 -2.562 -27.724 7.318
4 H SER 2 H SER 2 -4.582 -25.355 5.578
5 HA SER 2 HA SER 2 -6.287 -27.431 4.543
6 HB2 SER 2 1HB SER 2 -7.453 -25.492 6.554
7 HB3 SER 2 2HB SER 2 -8.317 -26.766 5.694
8 HG SER 2 HG SER 2 -7.566 -28.194 7.053
9 H SER 3 H SER 3 -8.131 -26.491 3.287
10 HA SER 3 HA SER 3 -8.213 -23.746 2.627
11 HB2 SER 3 1HB SER 3 -6.413 -25.493 1.016
12 HB3 SER 3 2HB SER 3 -7.395 -24.311 0.151
13 HG SER 3 HG SER 3 -6.503 -22.707 1.558
14 H GLY 4 H GLY 4 -9.963 -23.254 1.340
15 HA2 GLY 4 1HA GLY 4 -11.267 -24.941 -0.450
16 HA3 GLY 4 2HA GLY 4 -11.991 -25.220 1.127
17 H SER 5 H SER 5 -13.141 -23.536 2.147
18 HA SER 5 HA SER 5 -14.712 -21.967 0.452
19 HB2 SER 5 1HB SER 5 -15.566 -22.546 2.612
20 HB3 SER 5 2HB SER 5 -14.202 -21.779 3.425
21 HG SER 5 HG SER 5 -14.978 -19.787 2.819
22 H SER 6 H SER 6 -14.754 -19.770 -0.011
23 HA SER 6 HA SER 6 -12.235 -18.333 0.518
24 HB2 SER 6 1HB SER 6 -14.037 -18.008 -1.892
25 HB3 SER 6 2HB SER 6 -12.472 -17.237 -1.633
26 HG SER 6 HG SER 6 -12.405 -19.128 -2.994
27 H GLY 7 H GLY 7 -15.693 -17.848 -0.194
28 HA2 GLY 7 1HA GLY 7 -17.017 -16.539 1.381
29 HA3 GLY 7 2HA GLY 7 -15.612 -15.506 1.602
30 H THR 8 H THR 8 -17.909 -14.262 1.076
31 HA THR 8 HA THR 8 -18.911 -13.867 -1.394
32 HB THR 8 HB THR 8 -19.239 -11.485 -0.854
33 HG1 THR 8 HG1 THR 8 -18.304 -10.658 1.053
34 HG21 THR 8 3HG2 THR 8 -20.762 -13.089 0.133
35 HG22 THR 8 1HG2 THR 8 -20.431 -11.805 1.294
36 HG23 THR 8 2HG2 THR 8 -19.646 -13.375 1.467
37 H GLY 9 H GLY 9 -15.837 -12.531 -0.221
38 HA2 GLY 9 1HA GLY 9 -14.519 -12.689 -2.669
39 HA3 GLY 9 2HA GLY 9 -15.225 -11.082 -2.575
40 H GLU 10 H GLU 10 -12.467 -12.744 -2.067
41 HA GLU 10 HA GLU 10 -11.594 -10.931 0.087
42 HB2 GLU 10 1HB GLU 10 -11.600 -13.487 0.485
43 HB3 GLU 10 2HB GLU 10 -10.208 -13.511 -0.589
44 HG2 GLU 10 1HG GLU 10 -9.135 -13.339 1.398
45 HG3 GLU 10 2HG GLU 10 -9.357 -11.625 1.049
46 H ARG 11 H ARG 11 -10.995 -9.274 -1.334
47 HA ARG 11 HA ARG 11 -8.729 -9.897 -3.111
48 HB2 ARG 11 1HB ARG 11 -10.926 -8.900 -4.050
49 HB3 ARG 11 2HB ARG 11 -10.390 -7.400 -3.304
50 HG2 ARG 11 1HG ARG 11 -9.648 -7.231 -5.497
51 HG3 ARG 11 2HG ARG 11 -8.215 -7.755 -4.612
52 HD2 ARG 11 1HD ARG 11 -8.641 -10.066 -5.295
53 HD3 ARG 11 2HD ARG 11 -10.077 -9.542 -6.174
54 HE ARG 11 HE ARG 11 -8.727 -8.737 -7.857
55 HH11 ARG 11 1HH1 ARG 11 -6.795 -9.574 -5.085
56 HH12 ARG 11 2HH1 ARG 11 -5.288 -9.423 -5.927
57 HH21 ARG 11 1HH2 ARG 11 -6.750 -8.535 -8.976
58 HH22 ARG 11 2HH2 ARG 11 -5.264 -8.831 -8.139
59 H HIS 12 H HIS 12 -7.361 -9.774 -1.186
60 HA HIS 12 HA HIS 12 -7.006 -7.109 -0.050
61 HB2 HIS 12 1HB HIS 12 -5.726 -8.122 1.650
62 HB3 HIS 12 2HB HIS 12 -7.029 -9.263 1.336
63 HD1 HIS 12 HD1 HIS 12 -6.309 -11.305 -0.340
64 HD2 HIS 12 HD2 HIS 12 -3.249 -9.219 1.542
65 HE1 HIS 12 HE1 HIS 12 -4.288 -12.794 -0.492
66 H TYR 13 H TYR 13 -5.731 -5.746 -1.105
67 HA TYR 13 HA TYR 13 -3.625 -6.741 -2.844
68 HB2 TYR 13 1HB TYR 13 -4.603 -3.926 -2.323
69 HB3 TYR 13 2HB TYR 13 -3.390 -4.370 -3.520
70 HD1 TYR 13 HD2 TYR 13 -6.881 -5.299 -2.551
71 HD2 TYR 13 HD1 TYR 13 -4.094 -4.645 -5.698
72 HE1 TYR 13 HE2 TYR 13 -8.663 -5.689 -4.201
73 HE2 TYR 13 HE1 TYR 13 -5.868 -5.032 -7.358
74 HH TYR 13 HH TYR 13 -8.248 -5.005 -7.548
75 H GLU 14 H GLU 14 -1.611 -7.002 -2.171
76 HA GLU 14 HA GLU 14 -0.761 -5.817 0.347
77 HB2 GLU 14 1HB GLU 14 -0.361 -8.274 -0.548
78 HB3 GLU 14 2HB GLU 14 1.035 -7.528 -1.314
79 HG2 GLU 14 1HG GLU 14 2.070 -7.083 0.683
80 HG3 GLU 14 2HG GLU 14 0.557 -7.065 1.587
81 H CYS 15 H CYS 15 1.331 -4.761 0.542
82 HA CYS 15 HA CYS 15 1.787 -2.953 -1.701
83 HB2 CYS 15 1HB CYS 15 1.473 -2.006 0.556
84 HB3 CYS 15 2HB CYS 15 2.894 -2.883 1.114
85 H SER 16 H SER 16 3.294 -3.435 -3.143
86 HA SER 16 HA SER 16 5.236 -5.461 -2.763
87 HB2 SER 16 1HB SER 16 4.178 -4.438 -4.960
88 HB3 SER 16 2HB SER 16 5.583 -3.376 -4.880
89 HG SER 16 HG SER 16 5.966 -6.131 -4.573
90 H GLU 17 H GLU 17 5.132 -2.278 -1.710
91 HA GLU 17 HA GLU 17 7.975 -1.767 -1.850
92 HB2 GLU 17 1HB GLU 17 5.960 -0.066 -1.868
93 HB3 GLU 17 2HB GLU 17 6.126 -0.177 -0.121
94 HG2 GLU 17 1HG GLU 17 7.396 1.684 -0.784
95 HG3 GLU 17 2HG GLU 17 8.555 0.404 -0.430
96 H CYS 18 H CYS 18 5.589 -2.468 0.686
97 HA CYS 18 HA CYS 18 7.825 -3.197 2.464
98 HB2 CYS 18 1HB CYS 18 6.308 -2.638 4.358
99 HB3 CYS 18 2HB CYS 18 6.693 -1.250 3.345
100 H GLY 19 H GLY 19 4.441 -3.908 1.637
101 HA2 GLY 19 1HA GLY 19 4.007 -6.304 1.124
102 HA3 GLY 19 2HA GLY 19 4.908 -6.669 2.587
103 H LYS 20 H LYS 20 2.962 -3.894 2.824
104 HA LYS 20 HA LYS 20 1.299 -5.112 4.805
105 HB2 LYS 20 1HB LYS 20 2.109 -2.700 4.774
106 HB3 LYS 20 2HB LYS 20 0.890 -2.403 3.542
107 HG2 LYS 20 1HG LYS 20 -0.875 -2.862 5.037
108 HG3 LYS 20 2HG LYS 20 0.222 -3.555 6.234
109 HD2 LYS 20 1HD LYS 20 1.306 -1.258 6.344
110 HD3 LYS 20 2HD LYS 20 -0.090 -0.671 5.437
111 HE2 LYS 20 1HE LYS 20 -1.453 -1.883 7.300
112 HE3 LYS 20 2HE LYS 20 0.049 -1.766 8.215
113 HZ1 LYS 20 3HZ LYS 20 -0.742 0.231 8.788
114 HZ2 LYS 20 1HZ LYS 20 -1.838 0.298 7.500
115 HZ3 LYS 20 2HZ LYS 20 -0.220 0.728 7.257
116 H ALA 21 H ALA 21 -0.728 -5.880 4.646
117 HA ALA 21 HA ALA 21 -1.914 -6.002 1.976
118 HB1 ALA 21 3HB ALA 21 -2.312 -7.585 4.490
119 HB2 ALA 21 1HB ALA 21 -3.476 -7.658 3.166
120 HB3 ALA 21 2HB ALA 21 -1.801 -8.140 2.896
121 H PHE 22 H PHE 22 -3.772 -5.015 1.431
122 HA PHE 22 HA PHE 22 -5.262 -3.627 3.561
123 HB2 PHE 22 1HB PHE 22 -4.740 -2.639 0.749
124 HB3 PHE 22 2HB PHE 22 -5.719 -1.815 1.957
125 HD1 PHE 22 HD2 PHE 22 -2.301 -2.825 1.046
126 HD2 PHE 22 HD1 PHE 22 -4.724 -0.533 3.691
127 HE1 PHE 22 HE2 PHE 22 -0.295 -1.666 1.874
128 HE2 PHE 22 HE1 PHE 22 -2.721 0.630 4.523
129 HZ PHE 22 HZ PHE 22 -0.503 0.063 3.615
130 H ALA 23 H ALA 23 -7.509 -2.944 2.715
131 HA ALA 23 HA ALA 23 -8.746 -5.340 1.588
132 HB1 ALA 23 3HB ALA 23 -10.660 -4.792 2.711
133 HB2 ALA 23 1HB ALA 23 -9.462 -4.034 3.761
134 HB3 ALA 23 2HB ALA 23 -10.361 -3.057 2.600
135 H ARG 24 H ARG 24 -8.611 -1.837 1.068
136 HA ARG 24 HA ARG 24 -9.970 -2.200 -1.510
137 HB2 ARG 24 1HB ARG 24 -9.347 0.445 -0.215
138 HB3 ARG 24 2HB ARG 24 -10.548 0.090 -1.449
139 HG2 ARG 24 1HG ARG 24 -12.059 -0.723 0.053
140 HG3 ARG 24 2HG ARG 24 -10.813 -1.249 1.187
141 HD2 ARG 24 1HD ARG 24 -10.525 0.892 2.054
142 HD3 ARG 24 2HD ARG 24 -11.258 1.662 0.648
143 HE ARG 24 HE ARG 24 -13.298 1.433 1.647
144 HH11 ARG 24 1HH1 ARG 24 -11.051 -0.745 3.172
145 HH12 ARG 24 2HH1 ARG 24 -12.160 -1.230 4.411
146 HH21 ARG 24 1HH2 ARG 24 -14.768 0.802 3.273
147 HH22 ARG 24 2HH2 ARG 24 -14.275 -0.350 4.467
148 H LYS 25 H LYS 25 -9.092 -1.337 -3.417
149 HA LYS 25 HA LYS 25 -6.283 -1.574 -3.662
150 HB2 LYS 25 1HB LYS 25 -7.663 -2.124 -5.543
151 HB3 LYS 25 2HB LYS 25 -8.395 -0.525 -5.547
152 HG2 LYS 25 1HG LYS 25 -6.919 -0.307 -7.270
153 HG3 LYS 25 2HG LYS 25 -5.920 0.260 -5.929
154 HD2 LYS 25 1HD LYS 25 -5.892 -2.645 -6.564
155 HD3 LYS 25 2HD LYS 25 -5.047 -1.549 -7.660
156 HE2 LYS 25 1HE LYS 25 -4.596 -1.303 -4.722
157 HE3 LYS 25 2HE LYS 25 -3.815 -2.617 -5.600
158 HZ1 LYS 25 3HZ LYS 25 -2.566 -0.419 -5.359
159 HZ2 LYS 25 1HZ LYS 25 -3.616 0.173 -6.546
160 HZ3 LYS 25 2HZ LYS 25 -2.603 -1.136 -6.890
161 H SER 26 H SER 26 -8.368 1.276 -4.193
162 HA SER 26 HA SER 26 -6.439 3.190 -4.528
163 HB2 SER 26 1HB SER 26 -9.122 3.386 -3.154
164 HB3 SER 26 2HB SER 26 -8.117 4.794 -3.495
165 HG SER 26 HG SER 26 -9.489 3.108 -5.257
166 H THR 27 H THR 27 -7.785 2.044 -1.449
167 HA THR 27 HA THR 27 -6.557 3.717 0.334
168 HB THR 27 HB THR 27 -6.951 0.735 0.646
169 HG1 THR 27 HG1 THR 27 -8.792 2.330 0.246
170 HG21 THR 27 3HG2 THR 27 -5.909 0.934 2.607
171 HG22 THR 27 1HG2 THR 27 -7.179 2.045 3.119
172 HG23 THR 27 2HG2 THR 27 -5.708 2.670 2.374
173 H LEU 28 H LEU 28 -5.186 0.716 -1.006
174 HA LEU 28 HA LEU 28 -2.756 0.712 0.304
175 HB2 LEU 28 1HB LEU 28 -3.275 -1.177 -0.971
176 HB3 LEU 28 2HB LEU 28 -3.583 -0.223 -2.420
177 HG LEU 28 HG LEU 28 -1.176 0.203 -2.641
178 HD11 LEU 28 1HD1 LEU 28 -0.688 -1.806 -0.474
179 HD12 LEU 28 2HD1 LEU 28 -0.812 -0.085 -0.112
180 HD13 LEU 28 3HD1 LEU 28 0.438 -0.667 -1.212
181 HD21 LEU 28 3HD2 LEU 28 -2.331 -1.803 -3.652
182 HD22 LEU 28 1HD2 LEU 28 -1.658 -2.750 -2.324
183 HD23 LEU 28 2HD2 LEU 28 -0.582 -1.935 -3.460
184 H ILE 29 H ILE 29 -3.593 2.328 -2.746
185 HA ILE 29 HA ILE 29 -1.124 3.353 -3.431
186 HB ILE 29 HB ILE 29 -3.889 4.468 -3.820
187 HG12 ILE 29 1HG1 ILE 29 -3.128 3.961 -6.259
188 HG13 ILE 29 2HG1 ILE 29 -1.882 2.983 -5.490
189 HG21 ILE 29 1HG2 ILE 29 -2.745 6.460 -3.893
190 HG22 ILE 29 2HG2 ILE 29 -1.258 5.709 -4.470
191 HG23 ILE 29 3HG2 ILE 29 -2.616 5.935 -5.572
192 HD11 ILE 29 3HD1 ILE 29 -3.314 1.347 -5.018
193 HD12 ILE 29 1HD1 ILE 29 -4.554 2.467 -4.456
194 HD13 ILE 29 2HD1 ILE 29 -4.382 2.132 -6.180
195 H MET 30 H MET 30 -3.631 5.009 -1.504
196 HA MET 30 HA MET 30 -2.256 7.309 -0.881
197 HB2 MET 30 1HB MET 30 -3.986 5.884 1.131
198 HB3 MET 30 2HB MET 30 -3.766 7.616 0.919
199 HG2 MET 30 1HG MET 30 -5.302 5.711 -0.815
200 HG3 MET 30 2HG MET 30 -5.898 7.112 0.073
201 HE1 MET 30 3HE MET 30 -6.048 5.866 -2.752
202 HE2 MET 30 1HE MET 30 -6.508 7.350 -3.587
203 HE3 MET 30 2HE MET 30 -4.997 6.539 -3.999
204 H HIS 31 H HIS 31 -1.970 4.122 0.572
205 HA HIS 31 HA HIS 31 -0.332 4.931 2.755
206 HB2 HIS 31 1HB HIS 31 -1.301 2.890 3.188
207 HB3 HIS 31 2HB HIS 31 -1.128 2.334 1.526
208 HD1 HIS 31 HD1 HIS 31 0.688 2.506 4.784
209 HD2 HIS 31 HD2 HIS 31 1.307 1.076 0.933
210 HE1 HIS 31 HE1 HIS 31 2.731 1.048 4.929
211 H GLN 32 H GLN 32 0.420 3.270 -0.309
212 HA GLN 32 HA GLN 32 3.099 2.959 -0.151
213 HB2 GLN 32 1HB GLN 32 1.462 3.905 -2.500
214 HB3 GLN 32 2HB GLN 32 3.164 3.487 -2.637
215 HG2 GLN 32 1HG GLN 32 2.647 1.223 -1.822
216 HG3 GLN 32 2HG GLN 32 0.938 1.654 -1.776
217 HE21 GLN 32 1HE2 GLN 32 0.611 -0.108 -3.237
218 HE22 GLN 32 2HE2 GLN 32 0.910 0.097 -4.926
219 H ARG 33 H ARG 33 1.399 5.969 -0.303
220 HA ARG 33 HA ARG 33 3.352 7.699 -1.242
221 HB2 ARG 33 1HB ARG 33 1.270 8.160 0.901
222 HB3 ARG 33 2HB ARG 33 2.212 9.436 0.141
223 HG2 ARG 33 1HG ARG 33 1.205 9.025 -1.977
224 HG3 ARG 33 2HG ARG 33 0.427 7.557 -1.383
225 HD2 ARG 33 1HD ARG 33 -1.193 9.342 -1.484
226 HD3 ARG 33 2HD ARG 33 -0.877 8.929 0.200
227 HE ARG 33 HE ARG 33 0.764 11.078 -0.722
228 HH11 ARG 33 1HH1 ARG 33 -2.399 10.263 0.484
229 HH12 ARG 33 2HH1 ARG 33 -2.707 11.845 1.121
230 HH21 ARG 33 1HH2 ARG 33 0.371 13.164 0.114
231 HH22 ARG 33 2HH2 ARG 33 -1.131 13.494 0.909
232 H ILE 34 H ILE 34 2.796 6.567 2.078
233 HA ILE 34 HA ILE 34 4.616 8.025 3.486
234 HB ILE 34 HB ILE 34 4.652 6.357 5.117
235 HG12 ILE 34 1HG1 ILE 34 4.146 4.353 2.907
236 HG13 ILE 34 2HG1 ILE 34 5.649 4.572 3.797
237 HG21 ILE 34 1HG2 ILE 34 2.454 6.268 5.473
238 HG22 ILE 34 2HG2 ILE 34 2.268 6.998 3.879
239 HG23 ILE 34 3HG2 ILE 34 2.188 5.245 4.061
240 HD11 ILE 34 3HD1 ILE 34 3.042 3.670 4.997
241 HD12 ILE 34 1HD1 ILE 34 4.380 2.614 4.544
242 HD13 ILE 34 2HD1 ILE 34 4.591 3.805 5.828
243 H HIS 35 H HIS 35 5.278 5.264 1.393
244 HA HIS 35 HA HIS 35 8.034 5.047 2.049
245 HB2 HIS 35 1HB HIS 35 6.548 4.128 -0.421
246 HB3 HIS 35 2HB HIS 35 8.181 3.640 0.022
247 HD1 HIS 35 HD1 HIS 35 8.030 2.744 2.808
248 HD2 HIS 35 HD2 HIS 35 4.892 2.089 0.165
249 HE1 HIS 35 HE1 HIS 35 6.726 0.823 3.775
250 H THR 36 H THR 36 6.575 6.106 -1.030
251 HA THR 36 HA THR 36 8.892 7.293 -2.046
252 HB THR 36 HB THR 36 7.084 6.783 -3.542
253 HG1 THR 36 HG1 THR 36 7.247 9.623 -3.390
254 HG21 THR 36 3HG2 THR 36 5.258 7.175 -1.884
255 HG22 THR 36 1HG2 THR 36 4.936 7.862 -3.476
256 HG23 THR 36 2HG2 THR 36 5.450 8.908 -2.153
257 H GLY 37 H GLY 37 9.981 8.986 -1.302
258 HA2 GLY 37 1HA GLY 37 9.444 11.537 -1.110
259 HA3 GLY 37 2HA GLY 37 8.575 10.988 0.316
260 H GLU 38 H GLU 38 9.918 12.269 1.647
261 HA GLU 38 HA GLU 38 12.757 11.631 1.733
262 HB2 GLU 38 1HB GLU 38 11.697 13.986 1.996
263 HB3 GLU 38 2HB GLU 38 11.352 13.475 3.642
264 HG2 GLU 38 1HG GLU 38 14.029 13.803 2.328
265 HG3 GLU 38 2HG GLU 38 13.379 14.674 3.716
266 H LYS 39 H LYS 39 12.469 9.418 2.407
267 HA LYS 39 HA LYS 39 12.218 9.209 5.314
268 HB2 LYS 39 1HB LYS 39 10.032 8.561 4.312
269 HB3 LYS 39 2HB LYS 39 10.856 7.298 3.407
270 HG2 LYS 39 1HG LYS 39 11.595 6.336 5.597
271 HG3 LYS 39 2HG LYS 39 10.537 7.505 6.391
272 HD2 LYS 39 1HD LYS 39 9.147 5.677 6.250
273 HD3 LYS 39 2HD LYS 39 8.737 6.527 4.757
274 HE2 LYS 39 1HE LYS 39 9.011 4.277 4.134
275 HE3 LYS 39 2HE LYS 39 10.497 5.081 3.632
276 HZ1 LYS 39 3HZ LYS 39 11.121 4.286 6.112
277 HZ2 LYS 39 1HZ LYS 39 11.468 3.397 4.716
278 HZ3 LYS 39 2HZ LYS 39 10.093 3.032 5.630
279 HA PRO 40 HA PRO 40 15.916 6.858 4.828
280 HB2 PRO 40 1HB PRO 40 15.939 5.641 7.254
281 HB3 PRO 40 2HB PRO 40 16.332 7.350 7.033
282 HG2 PRO 40 1HG PRO 40 13.766 6.098 7.932
283 HG3 PRO 40 2HG PRO 40 14.597 7.529 8.570
284 HD2 PRO 40 1HD PRO 40 12.478 7.701 6.893
285 HD3 PRO 40 2HD PRO 40 13.790 8.897 6.900
286 H SER 41 H SER 41 15.708 5.252 3.353
287 HA SER 41 HA SER 41 14.259 2.821 4.172
288 HB2 SER 41 1HB SER 41 14.597 4.172 1.529
289 HB3 SER 41 2HB SER 41 14.440 2.416 1.558
290 HG SER 41 HG SER 41 12.629 4.112 2.913
291 H GLY 42 H GLY 42 15.154 0.786 3.141
292 HA2 GLY 42 1HA GLY 42 18.097 0.855 3.362
293 HA3 GLY 42 2HA GLY 42 17.096 -0.523 3.792
294 HA PRO 43 HA PRO 43 17.963 -2.233 -0.158
295 HB2 PRO 43 1HB PRO 43 15.847 -3.918 -0.391
296 HB3 PRO 43 2HB PRO 43 17.205 -4.225 0.698
297 HG2 PRO 43 1HG PRO 43 14.505 -3.085 1.310
298 HG3 PRO 43 2HG PRO 43 15.445 -4.286 2.216
299 HD2 PRO 43 1HD PRO 43 15.334 -1.678 2.936
300 HD3 PRO 43 2HD PRO 43 16.771 -2.684 3.210
301 H SER 44 H SER 44 16.688 -2.813 -2.255
302 HA SER 44 HA SER 44 14.659 -0.762 -2.816
303 HB2 SER 44 1HB SER 44 16.812 0.104 -3.616
304 HB3 SER 44 2HB SER 44 17.065 -1.367 -4.555
305 HG SER 44 HG SER 44 15.207 0.708 -4.966
306 H SER 45 H SER 45 14.265 -3.519 -2.289
307 HA SER 45 HA SER 45 14.153 -5.280 -4.364
308 HB2 SER 45 1HB SER 45 12.327 -4.791 -2.041
309 HB3 SER 45 2HB SER 45 11.865 -5.978 -3.261
310 HG SER 45 HG SER 45 13.630 -7.178 -2.775
311 H GLY 46 H GLY 46 12.178 -5.996 -5.619
312 HA2 GLY 46 1HA GLY 46 11.454 -4.069 -7.482
313 HA3 GLY 46 2HA GLY 46 10.600 -5.584 -7.234
Start of MODEL 4
1 H1 GLY 1 H GLY 1 3.796 -32.800 -13.702
2 HA2 GLY 1 1HA GLY 1 4.748 -32.716 -11.059
3 HA3 GLY 1 2HA GLY 1 5.984 -32.044 -12.113
4 H SER 2 H SER 2 2.874 -31.571 -10.673
5 HA SER 2 HA SER 2 2.999 -28.747 -11.386
6 HB2 SER 2 1HB SER 2 0.826 -28.617 -12.304
7 HB3 SER 2 2HB SER 2 1.547 -30.031 -13.073
8 HG SER 2 HG SER 2 -0.150 -31.028 -12.345
9 H SER 3 H SER 3 1.702 -27.392 -10.027
10 HA SER 3 HA SER 3 0.504 -28.643 -7.677
11 HB2 SER 3 1HB SER 3 1.789 -27.334 -6.105
12 HB3 SER 3 2HB SER 3 2.913 -28.210 -7.143
13 HG SER 3 HG SER 3 3.210 -26.302 -8.333
14 H GLY 4 H GLY 4 -0.355 -26.768 -6.183
15 HA2 GLY 4 1HA GLY 4 -0.973 -24.249 -6.855
16 HA3 GLY 4 2HA GLY 4 -2.056 -25.157 -7.900
17 H SER 5 H SER 5 -3.245 -23.494 -6.214
18 HA SER 5 HA SER 5 -4.324 -25.268 -4.125
19 HB2 SER 5 1HB SER 5 -4.709 -23.235 -2.732
20 HB3 SER 5 2HB SER 5 -3.000 -23.558 -3.025
21 HG SER 5 HG SER 5 -2.879 -21.671 -3.916
22 H SER 6 H SER 6 -5.051 -22.212 -5.819
23 HA SER 6 HA SER 6 -6.983 -21.375 -6.685
24 HB2 SER 6 1HB SER 6 -6.675 -23.397 -8.144
25 HB3 SER 6 2HB SER 6 -7.762 -24.274 -7.067
26 HG SER 6 HG SER 6 -9.122 -22.203 -7.587
27 H GLY 7 H GLY 7 -6.963 -21.500 -3.932
28 HA2 GLY 7 1HA GLY 7 -9.680 -22.413 -3.237
29 HA3 GLY 7 2HA GLY 7 -8.372 -22.187 -2.086
30 H THR 8 H THR 8 -10.509 -21.043 -1.244
31 HA THR 8 HA THR 8 -11.379 -18.608 -2.188
32 HB THR 8 HB THR 8 -11.857 -18.023 0.219
33 HG1 THR 8 HG1 THR 8 -10.062 -19.240 1.089
34 HG21 THR 8 3HG2 THR 8 -12.715 -20.826 -0.472
35 HG22 THR 8 1HG2 THR 8 -13.352 -19.405 -1.297
36 HG23 THR 8 2HG2 THR 8 -13.606 -19.605 0.436
37 H GLY 9 H GLY 9 -10.954 -16.418 -1.257
38 HA2 GLY 9 1HA GLY 9 -8.706 -15.618 0.103
39 HA3 GLY 9 2HA GLY 9 -8.179 -15.784 -1.565
40 H GLU 10 H GLU 10 -9.588 -13.741 0.701
41 HA GLU 10 HA GLU 10 -11.292 -12.155 -0.847
42 HB2 GLU 10 1HB GLU 10 -10.824 -12.126 1.707
43 HB3 GLU 10 2HB GLU 10 -9.541 -10.995 1.300
44 HG2 GLU 10 1HG GLU 10 -11.461 -9.761 0.015
45 HG3 GLU 10 2HG GLU 10 -12.491 -10.662 1.126
46 H ARG 11 H ARG 11 -10.945 -10.067 -1.791
47 HA ARG 11 HA ARG 11 -8.551 -9.968 -3.370
48 HB2 ARG 11 1HB ARG 11 -11.036 -9.220 -3.919
49 HB3 ARG 11 2HB ARG 11 -10.467 -7.683 -3.282
50 HG2 ARG 11 1HG ARG 11 -9.056 -7.319 -5.030
51 HG3 ARG 11 2HG ARG 11 -8.796 -9.040 -5.323
52 HD2 ARG 11 1HD ARG 11 -11.505 -7.889 -5.788
53 HD3 ARG 11 2HD ARG 11 -10.235 -7.579 -6.971
54 HE ARG 11 HE ARG 11 -10.087 -10.240 -6.677
55 HH11 ARG 11 1HH1 ARG 11 -12.785 -8.106 -7.217
56 HH12 ARG 11 2HH1 ARG 11 -13.709 -9.284 -8.088
57 HH21 ARG 11 1HH2 ARG 11 -11.295 -11.799 -7.823
58 HH22 ARG 11 2HH2 ARG 11 -12.861 -11.384 -8.432
59 H HIS 12 H HIS 12 -7.284 -9.825 -1.232
60 HA HIS 12 HA HIS 12 -7.144 -7.137 -0.130
61 HB2 HIS 12 1HB HIS 12 -5.679 -8.048 1.527
62 HB3 HIS 12 2HB HIS 12 -6.992 -9.201 1.307
63 HD1 HIS 12 HD1 HIS 12 -6.405 -11.474 0.223
64 HD2 HIS 12 HD2 HIS 12 -3.149 -8.946 0.739
65 HE1 HIS 12 HE1 HIS 12 -4.374 -12.911 -0.143
66 H TYR 13 H TYR 13 -5.967 -5.647 -1.121
67 HA TYR 13 HA TYR 13 -3.846 -6.399 -2.944
68 HB2 TYR 13 1HB TYR 13 -4.952 -3.693 -2.168
69 HB3 TYR 13 2HB TYR 13 -3.722 -3.955 -3.399
70 HD1 TYR 13 HD2 TYR 13 -7.150 -5.164 -2.519
71 HD2 TYR 13 HD1 TYR 13 -4.418 -4.076 -5.594
72 HE1 TYR 13 HE2 TYR 13 -8.914 -5.505 -4.199
73 HE2 TYR 13 HE1 TYR 13 -6.175 -4.413 -7.283
74 HH TYR 13 HH TYR 13 -8.917 -6.087 -6.773
75 H GLU 14 H GLU 14 -1.898 -6.841 -2.163
76 HA GLU 14 HA GLU 14 -0.992 -5.641 0.324
77 HB2 GLU 14 1HB GLU 14 -0.681 -8.122 -0.537
78 HB3 GLU 14 2HB GLU 14 0.734 -7.437 -1.323
79 HG2 GLU 14 1HG GLU 14 1.822 -7.062 0.641
80 HG3 GLU 14 2HG GLU 14 0.331 -6.857 1.557
81 H CYS 15 H CYS 15 1.115 -4.633 0.505
82 HA CYS 15 HA CYS 15 1.621 -2.858 -1.745
83 HB2 CYS 15 1HB CYS 15 1.405 -1.904 0.515
84 HB3 CYS 15 2HB CYS 15 2.784 -2.860 1.048
85 H SER 16 H SER 16 3.018 -3.484 -3.245
86 HA SER 16 HA SER 16 4.876 -5.571 -2.947
87 HB2 SER 16 1HB SER 16 5.653 -5.000 -5.141
88 HB3 SER 16 2HB SER 16 3.914 -4.709 -5.120
89 HG SER 16 HG SER 16 5.975 -2.775 -4.865
90 H GLU 17 H GLU 17 4.976 -2.432 -1.781
91 HA GLU 17 HA GLU 17 7.837 -2.070 -1.957
92 HB2 GLU 17 1HB GLU 17 5.903 -0.271 -1.842
93 HB3 GLU 17 2HB GLU 17 6.129 -0.462 -0.109
94 HG2 GLU 17 1HG GLU 17 7.424 1.402 -0.976
95 HG3 GLU 17 2HG GLU 17 8.470 0.141 -0.326
96 H CYS 18 H CYS 18 5.514 -2.480 0.719
97 HA CYS 18 HA CYS 18 7.729 -3.510 2.364
98 HB2 CYS 18 1HB CYS 18 6.219 -2.943 4.308
99 HB3 CYS 18 2HB CYS 18 6.815 -1.561 3.393
100 H GLY 19 H GLY 19 4.263 -3.958 1.688
101 HA2 GLY 19 1HA GLY 19 3.676 -6.321 1.102
102 HA3 GLY 19 2HA GLY 19 4.574 -6.770 2.544
103 H LYS 20 H LYS 20 2.686 -3.890 2.659
104 HA LYS 20 HA LYS 20 1.029 -5.002 4.731
105 HB2 LYS 20 1HB LYS 20 1.899 -2.678 4.812
106 HB3 LYS 20 2HB LYS 20 0.898 -2.278 3.422
107 HG2 LYS 20 1HG LYS 20 -1.054 -2.351 4.632
108 HG3 LYS 20 2HG LYS 20 -0.380 -3.431 5.856
109 HD2 LYS 20 1HD LYS 20 0.980 -1.617 6.736
110 HD3 LYS 20 2HD LYS 20 0.381 -0.534 5.477
111 HE2 LYS 20 1HE LYS 20 -1.952 -1.092 6.410
112 HE3 LYS 20 2HE LYS 20 -1.086 -1.698 7.821
113 HZ1 LYS 20 3HZ LYS 20 -1.751 0.602 8.119
114 HZ2 LYS 20 1HZ LYS 20 -0.901 1.059 6.729
115 HZ3 LYS 20 2HZ LYS 20 -0.064 0.478 8.080
116 H ALA 21 H ALA 21 -0.960 -5.812 4.540
117 HA ALA 21 HA ALA 21 -2.204 -5.838 1.903
118 HB1 ALA 21 3HB ALA 21 -3.581 -7.252 4.061
119 HB2 ALA 21 1HB ALA 21 -3.077 -7.820 2.468
120 HB3 ALA 21 2HB ALA 21 -1.919 -7.780 3.799
121 H PHE 22 H PHE 22 -4.090 -4.857 1.398
122 HA PHE 22 HA PHE 22 -5.498 -3.419 3.547
123 HB2 PHE 22 1HB PHE 22 -4.909 -2.417 0.754
124 HB3 PHE 22 2HB PHE 22 -5.933 -1.591 1.924
125 HD1 PHE 22 HD2 PHE 22 -2.495 -2.545 1.082
126 HD2 PHE 22 HD1 PHE 22 -4.994 -0.391 3.771
127 HE1 PHE 22 HE2 PHE 22 -0.519 -1.400 1.995
128 HE2 PHE 22 HE1 PHE 22 -3.021 0.759 4.688
129 HZ PHE 22 HZ PHE 22 -0.780 0.254 3.801
130 H ALA 23 H ALA 23 -7.731 -2.669 2.740
131 HA ALA 23 HA ALA 23 -9.078 -5.021 1.692
132 HB1 ALA 23 3HB ALA 23 -10.929 -4.308 2.781
133 HB2 ALA 23 1HB ALA 23 -9.742 -3.385 3.703
134 HB3 ALA 23 2HB ALA 23 -10.639 -2.612 2.395
135 H ARG 24 H ARG 24 -8.877 -1.549 0.938
136 HA ARG 24 HA ARG 24 -10.080 -2.090 -1.683
137 HB2 ARG 24 1HB ARG 24 -9.515 0.607 -0.450
138 HB3 ARG 24 2HB ARG 24 -10.546 0.255 -1.831
139 HG2 ARG 24 1HG ARG 24 -12.268 -0.501 -0.533
140 HG3 ARG 24 2HG ARG 24 -11.202 -1.000 0.782
141 HD2 ARG 24 1HD ARG 24 -11.059 1.129 1.652
142 HD3 ARG 24 2HD ARG 24 -11.435 1.897 0.110
143 HE ARG 24 HE ARG 24 -13.732 0.624 0.713
144 HH11 ARG 24 1HH1 ARG 24 -11.678 2.778 2.519
145 HH12 ARG 24 2HH1 ARG 24 -12.976 3.438 3.458
146 HH21 ARG 24 1HH2 ARG 24 -15.449 1.485 1.943
147 HH22 ARG 24 2HH2 ARG 24 -15.120 2.701 3.130
148 H LYS 25 H LYS 25 -9.140 -1.115 -3.585
149 HA LYS 25 HA LYS 25 -6.343 -1.543 -3.755
150 HB2 LYS 25 1HB LYS 25 -7.685 -1.968 -5.690
151 HB3 LYS 25 2HB LYS 25 -8.333 -0.333 -5.675
152 HG2 LYS 25 1HG LYS 25 -6.782 -0.283 -7.393
153 HG3 LYS 25 2HG LYS 25 -5.899 0.412 -6.032
154 HD2 LYS 25 1HD LYS 25 -4.993 -1.904 -5.594
155 HD3 LYS 25 2HD LYS 25 -5.686 -2.378 -7.147
156 HE2 LYS 25 1HE LYS 25 -3.678 -0.165 -6.736
157 HE3 LYS 25 2HE LYS 25 -3.299 -1.787 -7.312
158 HZ1 LYS 25 3HZ LYS 25 -5.371 -0.728 -8.882
159 HZ2 LYS 25 1HZ LYS 25 -3.804 -1.153 -9.356
160 HZ3 LYS 25 2HZ LYS 25 -4.126 0.414 -8.809
161 H SER 26 H SER 26 -8.251 1.439 -4.210
162 HA SER 26 HA SER 26 -6.179 3.234 -4.461
163 HB2 SER 26 1HB SER 26 -8.235 4.214 -4.842
164 HB3 SER 26 2HB SER 26 -8.979 3.449 -3.437
165 HG SER 26 HG SER 26 -7.849 4.900 -2.116
166 H THR 27 H THR 27 -7.737 2.132 -1.466
167 HA THR 27 HA THR 27 -6.515 3.673 0.417
168 HB THR 27 HB THR 27 -7.062 0.705 0.574
169 HG1 THR 27 HG1 THR 27 -8.985 1.372 1.505
170 HG21 THR 27 3HG2 THR 27 -5.649 0.956 2.373
171 HG22 THR 27 1HG2 THR 27 -7.190 1.392 3.111
172 HG23 THR 27 2HG2 THR 27 -6.067 2.654 2.602
173 H LEU 28 H LEU 28 -5.119 0.912 -1.282
174 HA LEU 28 HA LEU 28 -2.726 0.788 0.231
175 HB2 LEU 28 1HB LEU 28 -3.273 -1.136 -0.982
176 HB3 LEU 28 2HB LEU 28 -3.545 -0.228 -2.468
177 HG LEU 28 HG LEU 28 -1.123 0.153 -2.660
178 HD11 LEU 28 1HD1 LEU 28 -1.132 -1.245 -0.036
179 HD12 LEU 28 2HD1 LEU 28 -0.161 0.119 -0.589
180 HD13 LEU 28 3HD1 LEU 28 0.224 -1.514 -1.131
181 HD21 LEU 28 3HD2 LEU 28 -2.479 -2.016 -3.397
182 HD22 LEU 28 1HD2 LEU 28 -1.331 -2.780 -2.297
183 HD23 LEU 28 2HD2 LEU 28 -0.745 -1.844 -3.672
184 H ILE 29 H ILE 29 -3.680 2.553 -2.656
185 HA ILE 29 HA ILE 29 -1.156 3.442 -3.478
186 HB ILE 29 HB ILE 29 -3.916 4.570 -3.818
187 HG12 ILE 29 1HG1 ILE 29 -2.977 4.167 -6.291
188 HG13 ILE 29 2HG1 ILE 29 -1.954 3.020 -5.432
189 HG21 ILE 29 1HG2 ILE 29 -2.715 6.564 -3.780
190 HG22 ILE 29 2HG2 ILE 29 -1.305 5.841 -4.552
191 HG23 ILE 29 3HG2 ILE 29 -2.765 6.148 -5.493
192 HD11 ILE 29 3HD1 ILE 29 -4.823 2.920 -6.032
193 HD12 ILE 29 1HD1 ILE 29 -3.653 1.616 -5.828
194 HD13 ILE 29 2HD1 ILE 29 -4.368 2.389 -4.412
195 H MET 30 H MET 30 -3.538 5.006 -1.342
196 HA MET 30 HA MET 30 -2.123 7.334 -0.799
197 HB2 MET 30 1HB MET 30 -3.799 5.914 1.259
198 HB3 MET 30 2HB MET 30 -3.563 7.644 1.054
199 HG2 MET 30 1HG MET 30 -5.179 5.778 -0.650
200 HG3 MET 30 2HG MET 30 -5.735 7.163 0.286
201 HE1 MET 30 3HE MET 30 -4.849 6.690 -3.850
202 HE2 MET 30 1HE MET 30 -5.802 5.881 -2.606
203 HE3 MET 30 2HE MET 30 -6.415 7.347 -3.371
204 H HIS 31 H HIS 31 -2.001 4.193 0.841
205 HA HIS 31 HA HIS 31 -0.239 4.929 2.898
206 HB2 HIS 31 1HB HIS 31 -1.179 2.887 3.342
207 HB3 HIS 31 2HB HIS 31 -1.109 2.368 1.660
208 HD1 HIS 31 HD1 HIS 31 0.807 2.320 4.840
209 HD2 HIS 31 HD2 HIS 31 1.346 1.195 0.877
210 HE1 HIS 31 HE1 HIS 31 2.848 0.852 4.830
211 H GLN 32 H GLN 32 0.451 3.295 -0.196
212 HA GLN 32 HA GLN 32 3.115 2.946 -0.116
213 HB2 GLN 32 1HB GLN 32 1.421 3.991 -2.375
214 HB3 GLN 32 2HB GLN 32 3.131 3.641 -2.586
215 HG2 GLN 32 1HG GLN 32 2.553 1.317 -1.650
216 HG3 GLN 32 2HG GLN 32 0.883 1.756 -2.009
217 HE21 GLN 32 1HE2 GLN 32 0.310 0.710 -3.775
218 HE22 GLN 32 2HE2 GLN 32 1.224 0.612 -5.238
219 H ARG 33 H ARG 33 1.485 6.002 -0.121
220 HA ARG 33 HA ARG 33 3.450 7.730 -1.016
221 HB2 ARG 33 1HB ARG 33 1.450 8.132 1.215
222 HB3 ARG 33 2HB ARG 33 2.394 9.421 0.482
223 HG2 ARG 33 1HG ARG 33 1.305 9.137 -1.614
224 HG3 ARG 33 2HG ARG 33 0.521 7.653 -1.069
225 HD2 ARG 33 1HD ARG 33 -1.126 9.342 -0.957
226 HD3 ARG 33 2HD ARG 33 -0.610 9.051 0.704
227 HE ARG 33 HE ARG 33 0.094 11.215 0.796
228 HH11 ARG 33 1HH1 ARG 33 -0.089 10.254 -2.545
229 HH12 ARG 33 2HH1 ARG 33 0.290 11.830 -3.155
230 HH21 ARG 33 1HH2 ARG 33 0.594 13.295 0.005
231 HH22 ARG 33 2HH2 ARG 33 0.680 13.560 -1.703
232 H ILE 34 H ILE 34 2.972 6.444 2.260
233 HA ILE 34 HA ILE 34 4.848 7.784 3.696
234 HB ILE 34 HB ILE 34 5.026 5.926 5.166
235 HG12 ILE 34 1HG1 ILE 34 3.976 4.189 2.921
236 HG13 ILE 34 2HG1 ILE 34 5.654 4.249 3.452
237 HG21 ILE 34 1HG2 ILE 34 2.315 5.416 4.039
238 HG22 ILE 34 2HG2 ILE 34 2.816 5.635 5.715
239 HG23 ILE 34 3HG2 ILE 34 2.709 7.027 4.639
240 HD11 ILE 34 3HD1 ILE 34 4.698 2.329 4.424
241 HD12 ILE 34 1HD1 ILE 34 4.841 3.520 5.716
242 HD13 ILE 34 2HD1 ILE 34 3.275 3.220 4.963
243 H HIS 35 H HIS 35 5.422 5.312 1.280
244 HA HIS 35 HA HIS 35 8.200 4.979 1.870
245 HB2 HIS 35 1HB HIS 35 6.573 4.259 -0.575
246 HB3 HIS 35 2HB HIS 35 8.258 3.803 -0.337
247 HD1 HIS 35 HD1 HIS 35 8.502 2.538 2.230
248 HD2 HIS 35 HD2 HIS 35 4.963 2.206 0.079
249 HE1 HIS 35 HE1 HIS 35 7.343 0.504 3.151
250 H THR 36 H THR 36 6.683 6.270 -1.089
251 HA THR 36 HA THR 36 8.950 7.531 -2.084
252 HB THR 36 HB THR 36 7.022 7.194 -3.499
253 HG1 THR 36 HG1 THR 36 7.704 9.922 -3.063
254 HG21 THR 36 3HG2 THR 36 5.576 9.333 -1.947
255 HG22 THR 36 1HG2 THR 36 5.350 7.611 -1.643
256 HG23 THR 36 2HG2 THR 36 4.936 8.291 -3.217
257 H GLY 37 H GLY 37 10.142 9.022 -1.088
258 HA2 GLY 37 1HA GLY 37 9.438 11.609 -0.612
259 HA3 GLY 37 2HA GLY 37 9.027 10.793 0.889
260 H GLU 38 H GLU 38 11.752 10.285 -1.334
261 HA GLU 38 HA GLU 38 13.573 11.160 0.799
262 HB2 GLU 38 1HB GLU 38 13.492 8.725 0.888
263 HB3 GLU 38 2HB GLU 38 13.839 8.629 -0.833
264 HG2 GLU 38 1HG GLU 38 15.997 9.905 -0.244
265 HG3 GLU 38 2HG GLU 38 15.652 9.407 1.412
266 H LYS 39 H LYS 39 14.096 13.057 -0.230
267 HA LYS 39 HA LYS 39 15.900 12.797 -2.489
268 HB2 LYS 39 1HB LYS 39 14.739 14.645 -3.729
269 HB3 LYS 39 2HB LYS 39 13.856 13.124 -3.685
270 HG2 LYS 39 1HG LYS 39 12.535 14.052 -1.770
271 HG3 LYS 39 2HG LYS 39 13.316 15.605 -2.073
272 HD2 LYS 39 1HD LYS 39 11.309 15.761 -3.251
273 HD3 LYS 39 2HD LYS 39 12.483 15.313 -4.491
274 HE2 LYS 39 1HE LYS 39 11.781 12.886 -3.941
275 HE3 LYS 39 2HE LYS 39 10.371 13.632 -3.189
276 HZ1 LYS 39 3HZ LYS 39 9.575 13.377 -5.277
277 HZ2 LYS 39 1HZ LYS 39 11.099 13.456 -6.009
278 HZ3 LYS 39 2HZ LYS 39 10.328 14.875 -5.506
279 HA PRO 40 HA PRO 40 18.032 15.926 -0.242
280 HB2 PRO 40 1HB PRO 40 19.642 16.855 -2.220
281 HB3 PRO 40 2HB PRO 40 19.897 15.296 -1.427
282 HG2 PRO 40 1HG PRO 40 18.591 15.895 -4.053
283 HG3 PRO 40 2HG PRO 40 19.733 14.604 -3.641
284 HD2 PRO 40 1HD PRO 40 17.065 14.184 -3.824
285 HD3 PRO 40 2HD PRO 40 18.097 13.287 -2.692
286 H SER 41 H SER 41 16.840 16.838 -3.470
287 HA SER 41 HA SER 41 16.835 19.634 -2.927
288 HB2 SER 41 1HB SER 41 15.430 19.747 -5.022
289 HB3 SER 41 2HB SER 41 16.981 18.931 -5.215
290 HG SER 41 HG SER 41 14.422 17.742 -4.940
291 H GLY 42 H GLY 42 15.624 20.324 -1.253
292 HA2 GLY 42 1HA GLY 42 12.793 20.392 -1.519
293 HA3 GLY 42 2HA GLY 42 13.267 19.233 -0.287
294 HA PRO 43 HA PRO 43 13.091 23.695 1.342
295 HB2 PRO 43 1HB PRO 43 10.810 23.476 2.798
296 HB3 PRO 43 2HB PRO 43 10.826 24.005 1.112
297 HG2 PRO 43 1HG PRO 43 10.208 21.304 2.245
298 HG3 PRO 43 2HG PRO 43 9.377 22.193 0.955
299 HD2 PRO 43 1HD PRO 43 11.141 20.202 0.448
300 HD3 PRO 43 2HD PRO 43 10.934 21.594 -0.635
301 H SER 44 H SER 44 13.095 20.490 2.463
302 HA SER 44 HA SER 44 13.039 20.720 5.221
303 HB2 SER 44 1HB SER 44 14.750 18.878 3.533
304 HB3 SER 44 2HB SER 44 14.437 18.671 5.256
305 HG SER 44 HG SER 44 12.408 18.780 3.278
306 H SER 45 H SER 45 14.023 22.717 5.758
307 HA SER 45 HA SER 45 16.902 22.956 5.354
308 HB2 SER 45 1HB SER 45 14.775 24.838 6.358
309 HB3 SER 45 2HB SER 45 16.489 25.202 6.554
310 HG SER 45 HG SER 45 16.655 24.911 4.235
311 H GLY 46 H GLY 46 14.688 23.365 8.130
312 HA2 GLY 46 1HA GLY 46 14.903 22.316 10.228
313 HA3 GLY 46 2HA GLY 46 16.531 21.821 9.789
Start of MODEL 5
1 H1 GLY 1 H GLY 1 2.507 -32.364 -6.079
2 HA2 GLY 1 1HA GLY 1 -0.054 -33.397 -7.133
3 HA3 GLY 1 2HA GLY 1 0.230 -33.046 -5.434
4 H SER 2 H SER 2 -0.975 -31.360 -4.877
5 HA SER 2 HA SER 2 -0.853 -28.956 -6.566
6 HB2 SER 2 1HB SER 2 -3.278 -30.372 -5.526
7 HB3 SER 2 2HB SER 2 -3.314 -28.617 -5.692
8 HG SER 2 HG SER 2 -4.043 -29.706 -7.583
9 H SER 3 H SER 3 -1.910 -27.053 -5.249
10 HA SER 3 HA SER 3 -1.192 -27.226 -2.416
11 HB2 SER 3 1HB SER 3 0.099 -25.133 -2.544
12 HB3 SER 3 2HB SER 3 0.817 -26.388 -3.553
13 HG SER 3 HG SER 3 -0.602 -25.328 -5.259
14 H GLY 4 H GLY 4 -2.879 -26.533 -1.292
15 HA2 GLY 4 1HA GLY 4 -5.142 -25.308 -2.302
16 HA3 GLY 4 2HA GLY 4 -4.662 -25.255 -0.612
17 H SER 5 H SER 5 -5.154 -23.460 -3.424
18 HA SER 5 HA SER 5 -3.620 -21.180 -2.379
19 HB2 SER 5 1HB SER 5 -4.821 -21.567 -5.131
20 HB3 SER 5 2HB SER 5 -3.814 -20.213 -4.620
21 HG SER 5 HG SER 5 -2.339 -22.175 -4.030
22 H SER 6 H SER 6 -5.120 -20.579 -0.782
23 HA SER 6 HA SER 6 -7.866 -20.087 -1.367
24 HB2 SER 6 1HB SER 6 -7.121 -20.599 0.911
25 HB3 SER 6 2HB SER 6 -6.161 -19.120 0.942
26 HG SER 6 HG SER 6 -7.939 -18.329 1.764
27 H GLY 7 H GLY 7 -8.031 -18.695 -3.107
28 HA2 GLY 7 1HA GLY 7 -7.132 -15.930 -2.577
29 HA3 GLY 7 2HA GLY 7 -7.049 -16.649 -4.179
30 H THR 8 H THR 8 -9.303 -17.659 -4.819
31 HA THR 8 HA THR 8 -11.039 -15.634 -5.405
32 HB THR 8 HB THR 8 -11.908 -18.486 -4.909
33 HG1 THR 8 HG1 THR 8 -10.777 -18.986 -6.619
34 HG21 THR 8 3HG2 THR 8 -13.861 -17.307 -5.306
35 HG22 THR 8 1HG2 THR 8 -13.403 -17.799 -6.935
36 HG23 THR 8 2HG2 THR 8 -13.071 -16.157 -6.384
37 H GLY 9 H GLY 9 -12.020 -14.266 -4.062
38 HA2 GLY 9 1HA GLY 9 -14.123 -14.727 -2.456
39 HA3 GLY 9 2HA GLY 9 -12.777 -15.090 -1.387
40 H GLU 10 H GLU 10 -11.131 -13.360 -1.132
41 HA GLU 10 HA GLU 10 -12.442 -10.723 -1.171
42 HB2 GLU 10 1HB GLU 10 -11.958 -11.648 1.081
43 HB3 GLU 10 2HB GLU 10 -10.249 -11.694 0.669
44 HG2 GLU 10 1HG GLU 10 -10.054 -9.380 0.680
45 HG3 GLU 10 2HG GLU 10 -11.793 -9.138 0.521
46 H ARG 11 H ARG 11 -11.240 -8.893 -1.751
47 HA ARG 11 HA ARG 11 -8.886 -9.498 -3.404
48 HB2 ARG 11 1HB ARG 11 -9.370 -7.368 -4.547
49 HB3 ARG 11 2HB ARG 11 -10.727 -8.485 -4.625
50 HG2 ARG 11 1HG ARG 11 -11.456 -7.145 -2.452
51 HG3 ARG 11 2HG ARG 11 -10.477 -5.893 -3.218
52 HD2 ARG 11 1HD ARG 11 -11.870 -5.738 -5.049
53 HD3 ARG 11 2HD ARG 11 -12.493 -7.374 -4.843
54 HE ARG 11 HE ARG 11 -13.455 -6.167 -2.668
55 HH11 ARG 11 1HH1 ARG 11 -13.413 -5.175 -6.004
56 HH12 ARG 11 2HH1 ARG 11 -14.879 -4.260 -5.887
57 HH21 ARG 11 1HH2 ARG 11 -15.387 -4.966 -2.500
58 HH22 ARG 11 2HH2 ARG 11 -16.001 -4.141 -3.893
59 H HIS 12 H HIS 12 -7.529 -9.521 -1.491
60 HA HIS 12 HA HIS 12 -7.118 -6.940 -0.185
61 HB2 HIS 12 1HB HIS 12 -5.936 -8.086 1.491
62 HB3 HIS 12 2HB HIS 12 -7.242 -9.187 1.062
63 HD1 HIS 12 HD1 HIS 12 -6.574 -11.297 -0.370
64 HD2 HIS 12 HD2 HIS 12 -3.386 -9.047 1.057
65 HE1 HIS 12 HE1 HIS 12 -4.546 -12.761 -0.632
66 H TYR 13 H TYR 13 -5.779 -5.568 -1.145
67 HA TYR 13 HA TYR 13 -3.635 -6.566 -2.850
68 HB2 TYR 13 1HB TYR 13 -4.577 -3.737 -2.342
69 HB3 TYR 13 2HB TYR 13 -3.373 -4.216 -3.532
70 HD1 TYR 13 HD2 TYR 13 -6.899 -5.009 -2.576
71 HD2 TYR 13 HD1 TYR 13 -4.068 -4.511 -5.713
72 HE1 TYR 13 HE2 TYR 13 -8.684 -5.352 -4.234
73 HE2 TYR 13 HE1 TYR 13 -5.845 -4.851 -7.379
74 HH TYR 13 HH TYR 13 -8.779 -6.169 -6.694
75 H GLU 14 H GLU 14 -1.569 -6.647 -2.255
76 HA GLU 14 HA GLU 14 -0.828 -5.491 0.336
77 HB2 GLU 14 1HB GLU 14 -0.478 -7.996 -0.407
78 HB3 GLU 14 2HB GLU 14 0.955 -7.343 -1.189
79 HG2 GLU 14 1HG GLU 14 1.931 -6.727 0.826
80 HG3 GLU 14 2HG GLU 14 0.398 -6.785 1.695
81 H CYS 15 H CYS 15 1.310 -4.516 0.559
82 HA CYS 15 HA CYS 15 1.886 -2.793 -1.720
83 HB2 CYS 15 1HB CYS 15 1.595 -1.754 0.484
84 HB3 CYS 15 2HB CYS 15 2.924 -2.717 1.121
85 H SER 16 H SER 16 3.346 -3.442 -3.146
86 HA SER 16 HA SER 16 5.187 -5.528 -2.718
87 HB2 SER 16 1HB SER 16 4.302 -4.744 -4.950
88 HB3 SER 16 2HB SER 16 5.407 -3.374 -4.830
89 HG SER 16 HG SER 16 6.623 -4.805 -5.862
90 H GLU 17 H GLU 17 5.234 -2.408 -1.568
91 HA GLU 17 HA GLU 17 8.102 -2.018 -1.689
92 HB2 GLU 17 1HB GLU 17 6.155 -0.227 -1.674
93 HB3 GLU 17 2HB GLU 17 6.332 -0.378 0.068
94 HG2 GLU 17 1HG GLU 17 7.638 1.472 -1.017
95 HG3 GLU 17 2HG GLU 17 8.560 0.379 0.013
96 H CYS 18 H CYS 18 5.717 -2.294 0.952
97 HA CYS 18 HA CYS 18 7.877 -3.269 2.693
98 HB2 CYS 18 1HB CYS 18 6.292 -2.711 4.559
99 HB3 CYS 18 2HB CYS 18 6.818 -1.323 3.611
100 H GLY 19 H GLY 19 4.473 -3.873 1.850
101 HA2 GLY 19 1HA GLY 19 3.977 -6.251 1.295
102 HA3 GLY 19 2HA GLY 19 4.863 -6.660 2.756
103 H LYS 20 H LYS 20 2.869 -3.853 2.829
104 HA LYS 20 HA LYS 20 1.216 -5.020 4.873
105 HB2 LYS 20 1HB LYS 20 1.478 -2.306 3.636
106 HB3 LYS 20 2HB LYS 20 0.050 -2.683 4.590
107 HG2 LYS 20 1HG LYS 20 1.748 -3.447 6.386
108 HG3 LYS 20 2HG LYS 20 2.902 -2.488 5.456
109 HD2 LYS 20 1HD LYS 20 2.157 -0.880 6.895
110 HD3 LYS 20 2HD LYS 20 0.963 -0.687 5.609
111 HE2 LYS 20 1HE LYS 20 0.395 -2.646 7.772
112 HE3 LYS 20 2HE LYS 20 0.262 -0.930 8.153
113 HZ1 LYS 20 3HZ LYS 20 -1.186 -2.373 5.999
114 HZ2 LYS 20 1HZ LYS 20 -1.260 -0.702 6.256
115 HZ3 LYS 20 2HZ LYS 20 -1.854 -1.765 7.430
116 H ALA 21 H ALA 21 -0.651 -6.035 4.584
117 HA ALA 21 HA ALA 21 -1.886 -6.033 1.948
118 HB1 ALA 21 3HB ALA 21 -3.420 -7.741 3.273
119 HB2 ALA 21 1HB ALA 21 -1.840 -8.201 2.637
120 HB3 ALA 21 2HB ALA 21 -2.017 -7.782 4.341
121 H PHE 22 H PHE 22 -3.617 -4.866 1.442
122 HA PHE 22 HA PHE 22 -5.197 -3.692 3.634
123 HB2 PHE 22 1HB PHE 22 -4.755 -2.591 0.851
124 HB3 PHE 22 2HB PHE 22 -5.700 -1.827 2.125
125 HD1 PHE 22 HD2 PHE 22 -2.293 -2.825 1.120
126 HD2 PHE 22 HD1 PHE 22 -4.670 -0.534 3.806
127 HE1 PHE 22 HE2 PHE 22 -0.272 -1.676 1.922
128 HE2 PHE 22 HE1 PHE 22 -2.652 0.621 4.612
129 HZ PHE 22 HZ PHE 22 -0.449 0.049 3.671
130 H ALA 23 H ALA 23 -7.474 -3.081 2.895
131 HA ALA 23 HA ALA 23 -8.676 -5.463 1.738
132 HB1 ALA 23 3HB ALA 23 -10.619 -4.884 2.808
133 HB2 ALA 23 1HB ALA 23 -9.428 -4.136 3.873
134 HB3 ALA 23 2HB ALA 23 -10.297 -3.154 2.693
135 H ARG 24 H ARG 24 -8.681 -1.953 1.180
136 HA ARG 24 HA ARG 24 -9.981 -2.387 -1.410
137 HB2 ARG 24 1HB ARG 24 -9.378 0.226 -0.016
138 HB3 ARG 24 2HB ARG 24 -10.392 0.000 -1.435
139 HG2 ARG 24 1HG ARG 24 -12.146 -0.807 -0.229
140 HG3 ARG 24 2HG ARG 24 -11.112 -1.481 1.032
141 HD2 ARG 24 1HD ARG 24 -10.825 0.599 2.066
142 HD3 ARG 24 2HD ARG 24 -11.372 1.481 0.641
143 HE ARG 24 HE ARG 24 -13.568 0.104 1.316
144 HH11 ARG 24 1HH1 ARG 24 -11.382 2.052 3.199
145 HH12 ARG 24 2HH1 ARG 24 -12.594 2.549 4.333
146 HH21 ARG 24 1HH2 ARG 24 -15.173 0.751 2.802
147 HH22 ARG 24 2HH2 ARG 24 -14.750 1.807 4.107
148 H LYS 25 H LYS 25 -9.135 -1.398 -3.324
149 HA LYS 25 HA LYS 25 -6.311 -1.709 -3.575
150 HB2 LYS 25 1HB LYS 25 -7.654 -2.316 -5.449
151 HB3 LYS 25 2HB LYS 25 -8.451 -0.748 -5.472
152 HG2 LYS 25 1HG LYS 25 -6.914 -0.800 -7.279
153 HG3 LYS 25 2HG LYS 25 -6.246 0.275 -6.049
154 HD2 LYS 25 1HD LYS 25 -4.761 -1.484 -5.281
155 HD3 LYS 25 2HD LYS 25 -5.473 -2.618 -6.430
156 HE2 LYS 25 1HE LYS 25 -4.664 -1.285 -8.287
157 HE3 LYS 25 2HE LYS 25 -4.030 -0.075 -7.173
158 HZ1 LYS 25 3HZ LYS 25 -2.194 -1.261 -6.856
159 HZ2 LYS 25 1HZ LYS 25 -2.665 -2.214 -8.172
160 HZ3 LYS 25 2HZ LYS 25 -3.050 -2.697 -6.598
161 H SER 26 H SER 26 -8.455 1.110 -4.001
162 HA SER 26 HA SER 26 -6.541 3.041 -4.455
163 HB2 SER 26 1HB SER 26 -8.186 4.665 -3.549
164 HB3 SER 26 2HB SER 26 -8.923 3.511 -4.659
165 HG SER 26 HG SER 26 -9.964 2.575 -3.030
166 H THR 27 H THR 27 -7.760 1.857 -1.345
167 HA THR 27 HA THR 27 -6.520 3.580 0.398
168 HB THR 27 HB THR 27 -6.872 0.596 0.744
169 HG1 THR 27 HG1 THR 27 -8.761 1.358 1.928
170 HG21 THR 27 3HG2 THR 27 -6.352 0.792 2.964
171 HG22 THR 27 1HG2 THR 27 -6.820 2.490 3.038
172 HG23 THR 27 2HG2 THR 27 -5.281 2.029 2.309
173 H LEU 28 H LEU 28 -5.156 0.556 -0.905
174 HA LEU 28 HA LEU 28 -2.706 0.554 0.320
175 HB2 LEU 28 1HB LEU 28 -3.243 -1.293 -1.013
176 HB3 LEU 28 2HB LEU 28 -3.553 -0.291 -2.429
177 HG LEU 28 HG LEU 28 -1.152 0.135 -2.652
178 HD11 LEU 28 1HD1 LEU 28 -0.579 -1.949 -0.595
179 HD12 LEU 28 2HD1 LEU 28 -0.830 -0.276 -0.096
180 HD13 LEU 28 3HD1 LEU 28 0.462 -0.674 -1.228
181 HD21 LEU 28 3HD2 LEU 28 -2.440 -1.992 -3.515
182 HD22 LEU 28 1HD2 LEU 28 -1.353 -2.824 -2.403
183 HD23 LEU 28 2HD2 LEU 28 -0.693 -1.842 -3.711
184 H ILE 29 H ILE 29 -3.550 2.209 -2.714
185 HA ILE 29 HA ILE 29 -1.083 3.298 -3.328
186 HB ILE 29 HB ILE 29 -3.867 4.326 -3.807
187 HG12 ILE 29 1HG1 ILE 29 -3.004 3.854 -6.220
188 HG13 ILE 29 2HG1 ILE 29 -1.758 2.911 -5.410
189 HG21 ILE 29 1HG2 ILE 29 -1.261 5.663 -4.342
190 HG22 ILE 29 2HG2 ILE 29 -2.563 5.829 -5.519
191 HG23 ILE 29 3HG2 ILE 29 -2.807 6.358 -3.855
192 HD11 ILE 29 3HD1 ILE 29 -4.679 2.466 -4.903
193 HD12 ILE 29 1HD1 ILE 29 -3.811 1.668 -6.215
194 HD13 ILE 29 2HD1 ILE 29 -3.323 1.398 -4.541
195 H MET 30 H MET 30 -3.687 4.818 -1.422
196 HA MET 30 HA MET 30 -2.441 7.187 -0.775
197 HB2 MET 30 1HB MET 30 -4.121 5.636 1.190
198 HB3 MET 30 2HB MET 30 -3.963 7.381 1.044
199 HG2 MET 30 1HG MET 30 -5.394 5.493 -0.798
200 HG3 MET 30 2HG MET 30 -6.072 6.806 0.162
201 HE1 MET 30 3HE MET 30 -6.661 7.266 -3.489
202 HE2 MET 30 1HE MET 30 -5.128 6.502 -3.913
203 HE3 MET 30 2HE MET 30 -6.186 5.753 -2.717
204 H HIS 31 H HIS 31 -1.897 3.996 0.538
205 HA HIS 31 HA HIS 31 -0.327 4.891 2.767
206 HB2 HIS 31 1HB HIS 31 -1.204 2.819 3.233
207 HB3 HIS 31 2HB HIS 31 -1.048 2.260 1.570
208 HD1 HIS 31 HD1 HIS 31 0.801 2.469 4.798
209 HD2 HIS 31 HD2 HIS 31 1.443 1.123 0.921
210 HE1 HIS 31 HE1 HIS 31 2.902 1.091 4.904
211 H GLN 32 H GLN 32 0.445 3.278 -0.315
212 HA GLN 32 HA GLN 32 3.144 3.057 -0.170
213 HB2 GLN 32 1HB GLN 32 1.569 4.023 -2.563
214 HB3 GLN 32 2HB GLN 32 3.211 3.394 -2.620
215 HG2 GLN 32 1HG GLN 32 2.442 1.233 -1.849
216 HG3 GLN 32 2HG GLN 32 0.799 1.851 -1.693
217 HE21 GLN 32 1HE2 GLN 32 3.282 0.820 -3.881
218 HE22 GLN 32 2HE2 GLN 32 2.289 0.728 -5.292
219 H ARG 33 H ARG 33 1.330 5.985 -0.254
220 HA ARG 33 HA ARG 33 3.133 7.813 -1.278
221 HB2 ARG 33 1HB ARG 33 1.089 8.056 0.920
222 HB3 ARG 33 2HB ARG 33 2.043 9.431 0.381
223 HG2 ARG 33 1HG ARG 33 1.083 9.389 -1.766
224 HG3 ARG 33 2HG ARG 33 0.393 7.785 -1.510
225 HD2 ARG 33 1HD ARG 33 -1.433 9.199 -1.247
226 HD3 ARG 33 2HD ARG 33 -0.916 8.895 0.410
227 HE ARG 33 HE ARG 33 0.407 11.144 -0.156
228 HH11 ARG 33 1HH1 ARG 33 -2.917 10.245 -0.664
229 HH12 ARG 33 2HH1 ARG 33 -3.515 11.864 -0.509
230 HH21 ARG 33 1HH2 ARG 33 -0.367 13.280 0.050
231 HH22 ARG 33 2HH2 ARG 33 -2.063 13.589 -0.104
232 H ILE 34 H ILE 34 2.957 6.450 1.978
233 HA ILE 34 HA ILE 34 4.807 8.025 3.289
234 HB ILE 34 HB ILE 34 5.121 6.248 4.848
235 HG12 ILE 34 1HG1 ILE 34 3.997 4.401 2.729
236 HG13 ILE 34 2HG1 ILE 34 5.679 4.471 3.246
237 HG21 ILE 34 1HG2 ILE 34 2.855 7.312 4.671
238 HG22 ILE 34 2HG2 ILE 34 2.335 5.891 3.767
239 HG23 ILE 34 3HG2 ILE 34 2.877 5.723 5.437
240 HD11 ILE 34 3HD1 ILE 34 4.799 2.627 4.355
241 HD12 ILE 34 1HD1 ILE 34 4.792 3.903 5.572
242 HD13 ILE 34 2HD1 ILE 34 3.296 3.462 4.748
243 H HIS 35 H HIS 35 5.362 5.291 1.129
244 HA HIS 35 HA HIS 35 8.161 5.119 1.568
245 HB2 HIS 35 1HB HIS 35 6.445 4.186 -0.739
246 HB3 HIS 35 2HB HIS 35 8.154 3.798 -0.562
247 HD1 HIS 35 HD1 HIS 35 8.590 2.697 2.042
248 HD2 HIS 35 HD2 HIS 35 4.922 2.162 0.165
249 HE1 HIS 35 HE1 HIS 35 7.544 0.706 3.166
250 H THR 36 H THR 36 6.627 6.003 -1.514
251 HA THR 36 HA THR 36 8.691 7.220 -2.756
252 HB THR 36 HB THR 36 6.586 6.997 -3.893
253 HG1 THR 36 HG1 THR 36 8.088 9.009 -4.162
254 HG21 THR 36 3HG2 THR 36 4.605 8.153 -3.334
255 HG22 THR 36 1HG2 THR 36 5.451 9.228 -2.221
256 HG23 THR 36 2HG2 THR 36 5.225 7.529 -1.806
257 H GLY 37 H GLY 37 6.481 8.834 -0.478
258 HA2 GLY 37 1HA GLY 37 7.644 10.338 1.143
259 HA3 GLY 37 2HA GLY 37 8.480 11.001 -0.253
260 H GLU 38 H GLU 38 7.651 12.765 -1.165
261 HA GLU 38 HA GLU 38 4.786 13.276 -1.013
262 HB2 GLU 38 1HB GLU 38 6.857 15.205 0.050
263 HB3 GLU 38 2HB GLU 38 5.157 15.584 -0.185
264 HG2 GLU 38 1HG GLU 38 5.956 13.281 1.538
265 HG3 GLU 38 2HG GLU 38 6.013 14.928 2.164
266 H LYS 39 H LYS 39 4.058 14.905 -2.488
267 HA LYS 39 HA LYS 39 5.053 14.784 -5.025
268 HB2 LYS 39 1HB LYS 39 3.430 16.881 -3.621
269 HB3 LYS 39 2HB LYS 39 3.919 17.116 -5.294
270 HG2 LYS 39 1HG LYS 39 2.652 15.310 -6.045
271 HG3 LYS 39 2HG LYS 39 2.506 14.622 -4.426
272 HD2 LYS 39 1HD LYS 39 1.341 17.305 -5.105
273 HD3 LYS 39 2HD LYS 39 0.458 15.809 -5.421
274 HE2 LYS 39 1HE LYS 39 0.416 15.242 -3.123
275 HE3 LYS 39 2HE LYS 39 1.603 16.482 -2.722
276 HZ1 LYS 39 3HZ LYS 39 -0.374 17.441 -2.078
277 HZ2 LYS 39 1HZ LYS 39 -1.251 16.796 -3.374
278 HZ3 LYS 39 2HZ LYS 39 -0.182 18.081 -3.633
279 HA PRO 40 HA PRO 40 8.696 17.216 -5.304
280 HB2 PRO 40 1HB PRO 40 8.477 18.220 -7.817
281 HB3 PRO 40 2HB PRO 40 8.852 16.524 -7.489
282 HG2 PRO 40 1HG PRO 40 6.232 17.779 -8.211
283 HG3 PRO 40 2HG PRO 40 6.952 16.272 -8.806
284 HD2 PRO 40 1HD PRO 40 5.030 16.315 -6.898
285 HD3 PRO 40 2HD PRO 40 6.304 15.080 -6.942
286 H SER 41 H SER 41 5.592 18.668 -5.617
287 HA SER 41 HA SER 41 6.658 21.380 -5.647
288 HB2 SER 41 1HB SER 41 4.744 21.084 -7.043
289 HB3 SER 41 2HB SER 41 3.849 20.272 -5.758
290 HG SER 41 HG SER 41 4.551 23.005 -5.952
291 H GLY 42 H GLY 42 7.720 20.973 -3.528
292 HA2 GLY 42 1HA GLY 42 7.258 22.287 -1.437
293 HA3 GLY 42 2HA GLY 42 5.806 21.306 -1.301
294 HA PRO 43 HA PRO 43 9.699 18.528 -0.386
295 HB2 PRO 43 1HB PRO 43 11.874 19.914 0.461
296 HB3 PRO 43 2HB PRO 43 11.600 19.500 -1.236
297 HG2 PRO 43 1HG PRO 43 11.078 22.078 0.193
298 HG3 PRO 43 2HG PRO 43 11.791 21.811 -1.409
299 HD2 PRO 43 1HD PRO 43 9.205 22.539 -1.069
300 HD3 PRO 43 2HD PRO 43 9.738 21.507 -2.411
301 H SER 44 H SER 44 9.394 17.600 1.532
302 HA SER 44 HA SER 44 9.726 19.118 3.984
303 HB2 SER 44 1HB SER 44 7.356 19.474 3.478
304 HB3 SER 44 2HB SER 44 7.114 17.735 3.322
305 HG SER 44 HG SER 44 6.794 17.727 5.388
306 H SER 45 H SER 45 10.747 17.914 5.443
307 HA SER 45 HA SER 45 11.177 15.102 4.908
308 HB2 SER 45 1HB SER 45 12.988 16.711 5.676
309 HB3 SER 45 2HB SER 45 12.217 16.687 7.262
310 HG SER 45 HG SER 45 13.085 14.358 5.896
311 H GLY 46 H GLY 46 10.211 13.441 5.899
312 HA2 GLY 46 1HA GLY 46 9.051 13.715 8.532
313 HA3 GLY 46 2HA GLY 46 7.867 13.534 7.246
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -17.545 -20.763 -10.202
2 HA2 GLY 1 1HA GLY 1 -17.401 -21.255 -12.711
3 HA3 GLY 1 2HA GLY 1 -16.145 -21.980 -11.718
4 H SER 2 H SER 2 -15.771 -23.812 -12.869
5 HA SER 2 HA SER 2 -17.957 -25.467 -13.783
6 HB2 SER 2 1HB SER 2 -14.954 -25.730 -13.928
7 HB3 SER 2 2HB SER 2 -16.039 -27.005 -14.482
8 HG SER 2 HG SER 2 -15.248 -25.203 -15.993
9 H SER 3 H SER 3 -15.199 -25.941 -11.571
10 HA SER 3 HA SER 3 -16.454 -28.303 -10.448
11 HB2 SER 3 1HB SER 3 -13.803 -26.938 -10.013
12 HB3 SER 3 2HB SER 3 -14.352 -28.246 -8.965
13 HG SER 3 HG SER 3 -13.653 -28.308 -11.682
14 H GLY 4 H GLY 4 -18.306 -27.411 -9.464
15 HA2 GLY 4 1HA GLY 4 -19.523 -26.341 -7.825
16 HA3 GLY 4 2HA GLY 4 -18.233 -26.920 -6.781
17 H SER 5 H SER 5 -18.990 -24.883 -5.643
18 HA SER 5 HA SER 5 -17.716 -22.489 -6.774
19 HB2 SER 5 1HB SER 5 -19.694 -22.706 -4.491
20 HB3 SER 5 2HB SER 5 -19.070 -21.208 -5.183
21 HG SER 5 HG SER 5 -21.066 -21.659 -6.098
22 H SER 6 H SER 6 -15.613 -22.570 -6.194
23 HA SER 6 HA SER 6 -15.011 -22.923 -3.331
24 HB2 SER 6 1HB SER 6 -14.001 -24.698 -4.640
25 HB3 SER 6 2HB SER 6 -13.284 -23.524 -5.743
26 HG SER 6 HG SER 6 -11.931 -24.428 -3.959
27 H GLY 7 H GLY 7 -15.317 -20.716 -2.857
28 HA2 GLY 7 1HA GLY 7 -14.388 -18.498 -4.149
29 HA3 GLY 7 2HA GLY 7 -14.455 -18.628 -2.397
30 H THR 8 H THR 8 -12.490 -17.643 -4.677
31 HA THR 8 HA THR 8 -10.067 -19.042 -4.189
32 HB THR 8 HB THR 8 -10.371 -17.734 -6.229
33 HG1 THR 8 HG1 THR 8 -8.251 -17.826 -5.925
34 HG21 THR 8 3HG2 THR 8 -10.497 -15.362 -6.263
35 HG22 THR 8 1HG2 THR 8 -10.152 -15.249 -4.537
36 HG23 THR 8 2HG2 THR 8 -11.695 -15.904 -5.088
37 H GLY 9 H GLY 9 -11.474 -16.070 -2.868
38 HA2 GLY 9 1HA GLY 9 -10.643 -16.176 -0.324
39 HA3 GLY 9 2HA GLY 9 -9.179 -15.643 -1.138
40 H GLU 10 H GLU 10 -9.079 -13.614 -0.255
41 HA GLU 10 HA GLU 10 -11.353 -11.825 -0.796
42 HB2 GLU 10 1HB GLU 10 -10.599 -12.132 1.597
43 HB3 GLU 10 2HB GLU 10 -9.095 -11.340 1.147
44 HG2 GLU 10 1HG GLU 10 -10.372 -9.642 2.081
45 HG3 GLU 10 2HG GLU 10 -10.560 -9.409 0.343
46 H ARG 11 H ARG 11 -10.938 -9.716 -1.603
47 HA ARG 11 HA ARG 11 -8.752 -9.651 -3.490
48 HB2 ARG 11 1HB ARG 11 -11.117 -7.878 -2.944
49 HB3 ARG 11 2HB ARG 11 -9.825 -7.354 -4.016
50 HG2 ARG 11 1HG ARG 11 -11.332 -9.928 -4.390
51 HG3 ARG 11 2HG ARG 11 -11.811 -8.400 -5.133
52 HD2 ARG 11 1HD ARG 11 -9.798 -8.280 -6.385
53 HD3 ARG 11 2HD ARG 11 -9.072 -9.599 -5.468
54 HE ARG 11 HE ARG 11 -11.379 -10.579 -6.688
55 HH11 ARG 11 1HH1 ARG 11 -8.256 -9.336 -7.594
56 HH12 ARG 11 2HH1 ARG 11 -8.166 -10.264 -9.055
57 HH21 ARG 11 1HH2 ARG 11 -11.272 -11.805 -8.608
58 HH22 ARG 11 2HH2 ARG 11 -9.883 -11.668 -9.631
59 H HIS 12 H HIS 12 -7.787 -9.647 -0.891
60 HA HIS 12 HA HIS 12 -7.223 -7.001 0.026
61 HB2 HIS 12 1HB HIS 12 -5.794 -8.053 1.655
62 HB3 HIS 12 2HB HIS 12 -7.255 -9.024 1.498
63 HD1 HIS 12 HD1 HIS 12 -7.008 -11.330 0.269
64 HD2 HIS 12 HD2 HIS 12 -3.435 -9.331 0.980
65 HE1 HIS 12 HE1 HIS 12 -5.198 -13.040 -0.088
66 H TYR 13 H TYR 13 -5.930 -5.634 -0.998
67 HA TYR 13 HA TYR 13 -3.861 -6.616 -2.785
68 HB2 TYR 13 1HB TYR 13 -4.763 -3.795 -2.165
69 HB3 TYR 13 2HB TYR 13 -3.594 -4.237 -3.404
70 HD1 TYR 13 HD2 TYR 13 -7.096 -5.029 -2.368
71 HD2 TYR 13 HD1 TYR 13 -4.346 -4.506 -5.572
72 HE1 TYR 13 HE2 TYR 13 -8.929 -5.327 -3.982
73 HE2 TYR 13 HE1 TYR 13 -6.171 -4.801 -7.195
74 HH TYR 13 HH TYR 13 -9.450 -5.612 -6.143
75 H GLU 14 H GLU 14 -1.772 -6.750 -2.293
76 HA GLU 14 HA GLU 14 -0.883 -5.708 0.294
77 HB2 GLU 14 1HB GLU 14 -0.543 -8.156 -0.663
78 HB3 GLU 14 2HB GLU 14 0.856 -7.415 -1.428
79 HG2 GLU 14 1HG GLU 14 1.898 -6.982 0.586
80 HG3 GLU 14 2HG GLU 14 0.392 -7.062 1.499
81 H CYS 15 H CYS 15 1.212 -4.673 0.469
82 HA CYS 15 HA CYS 15 1.663 -2.845 -1.758
83 HB2 CYS 15 1HB CYS 15 1.396 -1.913 0.507
84 HB3 CYS 15 2HB CYS 15 2.801 -2.829 1.046
85 H SER 16 H SER 16 3.103 -3.401 -3.244
86 HA SER 16 HA SER 16 4.996 -5.450 -2.979
87 HB2 SER 16 1HB SER 16 4.311 -4.854 -5.179
88 HB3 SER 16 2HB SER 16 4.756 -3.165 -4.938
89 HG SER 16 HG SER 16 6.363 -4.155 -6.131
90 H GLU 17 H GLU 17 5.026 -2.319 -1.738
91 HA GLU 17 HA GLU 17 7.894 -1.961 -1.783
92 HB2 GLU 17 1HB GLU 17 5.977 -0.152 -1.748
93 HB3 GLU 17 2HB GLU 17 6.089 -0.372 -0.008
94 HG2 GLU 17 1HG GLU 17 7.444 1.506 -0.845
95 HG3 GLU 17 2HG GLU 17 8.396 0.278 -0.013
96 H CYS 18 H CYS 18 5.475 -2.303 0.819
97 HA CYS 18 HA CYS 18 7.607 -3.330 2.562
98 HB2 CYS 18 1HB CYS 18 6.054 -2.820 4.426
99 HB3 CYS 18 2HB CYS 18 6.452 -1.397 3.467
100 H GLY 19 H GLY 19 4.234 -3.948 1.615
101 HA2 GLY 19 1HA GLY 19 3.733 -6.284 0.975
102 HA3 GLY 19 2HA GLY 19 4.657 -6.769 2.389
103 H LYS 20 H LYS 20 2.670 -3.990 2.724
104 HA LYS 20 HA LYS 20 1.032 -5.350 4.671
105 HB2 LYS 20 1HB LYS 20 1.975 -2.885 4.671
106 HB3 LYS 20 2HB LYS 20 0.494 -2.546 3.785
107 HG2 LYS 20 1HG LYS 20 -0.837 -3.407 5.612
108 HG3 LYS 20 2HG LYS 20 0.625 -3.858 6.493
109 HD2 LYS 20 1HD LYS 20 1.123 -1.694 7.047
110 HD3 LYS 20 2HD LYS 20 0.334 -1.031 5.613
111 HE2 LYS 20 1HE LYS 20 -1.830 -1.360 6.567
112 HE3 LYS 20 2HE LYS 20 -1.160 -2.284 7.910
113 HZ1 LYS 20 3HZ LYS 20 -0.590 -0.430 9.006
114 HZ2 LYS 20 1HZ LYS 20 -1.732 0.327 8.014
115 HZ3 LYS 20 2HZ LYS 20 -0.090 0.387 7.612
116 H ALA 21 H ALA 21 -1.011 -6.043 4.437
117 HA ALA 21 HA ALA 21 -2.206 -5.869 1.783
118 HB1 ALA 21 3HB ALA 21 -2.476 -7.680 4.103
119 HB2 ALA 21 1HB ALA 21 -3.915 -7.439 3.111
120 HB3 ALA 21 2HB ALA 21 -2.428 -8.042 2.378
121 H PHE 22 H PHE 22 -4.176 -4.953 1.341
122 HA PHE 22 HA PHE 22 -5.489 -3.500 3.540
123 HB2 PHE 22 1HB PHE 22 -4.981 -2.496 0.732
124 HB3 PHE 22 2HB PHE 22 -5.970 -1.668 1.930
125 HD1 PHE 22 HD2 PHE 22 -2.551 -2.685 1.045
126 HD2 PHE 22 HD1 PHE 22 -4.986 -0.420 3.701
127 HE1 PHE 22 HE2 PHE 22 -0.547 -1.548 1.906
128 HE2 PHE 22 HE1 PHE 22 -2.986 0.722 4.566
129 HZ PHE 22 HZ PHE 22 -0.762 0.158 3.670
130 H ALA 23 H ALA 23 -7.746 -2.751 2.846
131 HA ALA 23 HA ALA 23 -9.165 -5.084 1.892
132 HB1 ALA 23 3HB ALA 23 -9.738 -2.921 3.632
133 HB2 ALA 23 1HB ALA 23 -10.932 -2.904 2.334
134 HB3 ALA 23 2HB ALA 23 -10.708 -4.358 3.308
135 H ARG 24 H ARG 24 -8.725 -1.711 0.892
136 HA ARG 24 HA ARG 24 -10.016 -2.362 -1.672
137 HB2 ARG 24 1HB ARG 24 -9.414 0.434 -0.761
138 HB3 ARG 24 2HB ARG 24 -10.633 -0.119 -1.901
139 HG2 ARG 24 1HG ARG 24 -11.994 0.298 -0.151
140 HG3 ARG 24 2HG ARG 24 -11.532 -1.348 0.285
141 HD2 ARG 24 1HD ARG 24 -9.555 -0.131 1.507
142 HD3 ARG 24 2HD ARG 24 -10.650 1.249 1.454
143 HE ARG 24 HE ARG 24 -11.794 -1.195 2.498
144 HH11 ARG 24 1HH1 ARG 24 -10.167 1.800 3.212
145 HH12 ARG 24 2HH1 ARG 24 -10.693 1.843 4.862
146 HH21 ARG 24 1HH2 ARG 24 -12.493 -1.149 4.668
147 HH22 ARG 24 2HH2 ARG 24 -12.015 0.165 5.690
148 H LYS 25 H LYS 25 -9.099 -0.970 -3.530
149 HA LYS 25 HA LYS 25 -6.287 -1.590 -3.724
150 HB2 LYS 25 1HB LYS 25 -7.629 -2.055 -5.652
151 HB3 LYS 25 2HB LYS 25 -8.275 -0.419 -5.671
152 HG2 LYS 25 1HG LYS 25 -6.716 -0.418 -7.389
153 HG3 LYS 25 2HG LYS 25 -5.847 0.323 -6.043
154 HD2 LYS 25 1HD LYS 25 -5.664 -2.627 -6.387
155 HD3 LYS 25 2HD LYS 25 -4.766 -1.599 -7.506
156 HE2 LYS 25 1HE LYS 25 -3.951 -0.407 -5.349
157 HE3 LYS 25 2HE LYS 25 -4.474 -1.883 -4.540
158 HZ1 LYS 25 3HZ LYS 25 -2.085 -1.433 -5.895
159 HZ2 LYS 25 1HZ LYS 25 -2.954 -2.565 -6.803
160 HZ3 LYS 25 2HZ LYS 25 -2.614 -2.868 -5.174
161 H SER 26 H SER 26 -8.284 1.346 -3.891
162 HA SER 26 HA SER 26 -6.240 3.190 -4.317
163 HB2 SER 26 1HB SER 26 -8.280 4.206 -4.558
164 HB3 SER 26 2HB SER 26 -9.001 3.314 -3.218
165 HG SER 26 HG SER 26 -8.130 4.724 -1.794
166 H THR 27 H THR 27 -7.769 2.333 -1.209
167 HA THR 27 HA THR 27 -6.412 3.769 0.589
168 HB THR 27 HB THR 27 -7.021 0.818 0.748
169 HG1 THR 27 HG1 THR 27 -8.844 2.143 0.701
170 HG21 THR 27 3HG2 THR 27 -6.826 1.292 3.279
171 HG22 THR 27 1HG2 THR 27 -5.826 2.660 2.793
172 HG23 THR 27 2HG2 THR 27 -5.345 1.019 2.361
173 H LEU 28 H LEU 28 -5.106 0.879 -1.003
174 HA LEU 28 HA LEU 28 -2.649 0.805 0.351
175 HB2 LEU 28 1HB LEU 28 -3.251 -1.114 -0.847
176 HB3 LEU 28 2HB LEU 28 -3.563 -0.202 -2.322
177 HG LEU 28 HG LEU 28 -1.143 0.167 -2.582
178 HD11 LEU 28 1HD1 LEU 28 -1.052 -1.374 -0.018
179 HD12 LEU 28 2HD1 LEU 28 -0.226 0.122 -0.452
180 HD13 LEU 28 3HD1 LEU 28 0.304 -1.410 -1.145
181 HD21 LEU 28 3HD2 LEU 28 -2.589 -2.173 -3.023
182 HD22 LEU 28 1HD2 LEU 28 -1.053 -2.706 -2.340
183 HD23 LEU 28 2HD2 LEU 28 -1.071 -1.698 -3.788
184 H ILE 29 H ILE 29 -3.561 2.341 -2.719
185 HA ILE 29 HA ILE 29 -1.085 3.302 -3.497
186 HB ILE 29 HB ILE 29 -3.865 4.343 -3.919
187 HG12 ILE 29 1HG1 ILE 29 -3.127 3.842 -6.331
188 HG13 ILE 29 2HG1 ILE 29 -1.747 3.024 -5.608
189 HG21 ILE 29 1HG2 ILE 29 -2.853 5.968 -5.551
190 HG22 ILE 29 2HG2 ILE 29 -2.611 6.356 -3.849
191 HG23 ILE 29 3HG2 ILE 29 -1.296 5.648 -4.787
192 HD11 ILE 29 3HD1 ILE 29 -4.644 2.343 -5.164
193 HD12 ILE 29 1HD1 ILE 29 -3.498 1.448 -6.162
194 HD13 ILE 29 2HD1 ILE 29 -3.270 1.530 -4.415
195 H MET 30 H MET 30 -3.515 4.913 -1.453
196 HA MET 30 HA MET 30 -2.126 7.283 -0.997
197 HB2 MET 30 1HB MET 30 -3.833 5.969 1.103
198 HB3 MET 30 2HB MET 30 -3.626 7.685 0.778
199 HG2 MET 30 1HG MET 30 -5.221 5.666 -0.748
200 HG3 MET 30 2HG MET 30 -5.751 7.183 -0.026
201 HE1 MET 30 3HE MET 30 -5.026 6.315 -4.149
202 HE2 MET 30 1HE MET 30 -5.739 5.488 -2.763
203 HE3 MET 30 2HE MET 30 -6.551 6.886 -3.468
204 H HIS 31 H HIS 31 -1.933 4.171 0.656
205 HA HIS 31 HA HIS 31 -0.257 5.020 2.770
206 HB2 HIS 31 1HB HIS 31 -1.194 2.989 3.273
207 HB3 HIS 31 2HB HIS 31 -1.083 2.405 1.615
208 HD1 HIS 31 HD1 HIS 31 0.813 2.567 4.818
209 HD2 HIS 31 HD2 HIS 31 1.347 1.153 0.948
210 HE1 HIS 31 HE1 HIS 31 2.853 1.099 4.914
211 H GLN 32 H GLN 32 0.463 3.421 -0.325
212 HA GLN 32 HA GLN 32 3.149 3.049 -0.157
213 HB2 GLN 32 1HB GLN 32 1.597 4.101 -2.527
214 HB3 GLN 32 2HB GLN 32 3.243 3.489 -2.615
215 HG2 GLN 32 1HG GLN 32 2.396 1.316 -1.722
216 HG3 GLN 32 2HG GLN 32 0.762 1.957 -1.886
217 HE21 GLN 32 1HE2 GLN 32 2.980 0.063 -3.325
218 HE22 GLN 32 2HE2 GLN 32 2.482 0.206 -4.973
219 H ARG 33 H ARG 33 1.490 6.064 -0.179
220 HA ARG 33 HA ARG 33 3.447 7.794 -1.144
221 HB2 ARG 33 1HB ARG 33 1.369 8.225 1.007
222 HB3 ARG 33 2HB ARG 33 2.338 9.513 0.305
223 HG2 ARG 33 1HG ARG 33 1.352 9.189 -1.841
224 HG3 ARG 33 2HG ARG 33 0.535 7.721 -1.300
225 HD2 ARG 33 1HD ARG 33 -1.129 9.365 -1.256
226 HD3 ARG 33 2HD ARG 33 -0.618 9.210 0.424
227 HE ARG 33 HE ARG 33 -0.234 11.491 -1.315
228 HH11 ARG 33 1HH1 ARG 33 0.682 9.883 1.633
229 HH12 ARG 33 2HH1 ARG 33 1.293 11.321 2.381
230 HH21 ARG 33 1HH2 ARG 33 0.567 13.392 -0.341
231 HH22 ARG 33 2HH2 ARG 33 1.226 13.316 1.258
232 H ILE 34 H ILE 34 2.981 6.463 2.099
233 HA ILE 34 HA ILE 34 4.842 7.939 3.513
234 HB ILE 34 HB ILE 34 4.871 6.235 5.138
235 HG12 ILE 34 1HG1 ILE 34 3.983 4.305 2.982
236 HG13 ILE 34 2HG1 ILE 34 5.603 4.402 3.663
237 HG21 ILE 34 1HG2 ILE 34 2.567 7.249 4.292
238 HG22 ILE 34 2HG2 ILE 34 2.233 5.548 3.972
239 HG23 ILE 34 3HG2 ILE 34 2.650 6.072 5.603
240 HD11 ILE 34 3HD1 ILE 34 3.148 3.774 5.278
241 HD12 ILE 34 1HD1 ILE 34 4.195 2.553 4.555
242 HD13 ILE 34 2HD1 ILE 34 4.833 3.647 5.783
243 H HIS 35 H HIS 35 5.343 5.312 1.261
244 HA HIS 35 HA HIS 35 8.096 4.895 1.935
245 HB2 HIS 35 1HB HIS 35 6.471 4.059 -0.474
246 HB3 HIS 35 2HB HIS 35 8.134 3.557 -0.180
247 HD1 HIS 35 HD1 HIS 35 8.242 2.555 2.551
248 HD2 HIS 35 HD2 HIS 35 4.832 2.046 0.233
249 HE1 HIS 35 HE1 HIS 35 7.009 0.622 3.585
250 H THR 36 H THR 36 6.727 5.951 -1.179
251 HA THR 36 HA THR 36 9.014 7.038 -2.251
252 HB THR 36 HB THR 36 7.076 6.780 -3.638
253 HG1 THR 36 HG1 THR 36 8.192 8.398 -4.535
254 HG21 THR 36 3HG2 THR 36 5.710 9.031 -2.184
255 HG22 THR 36 1HG2 THR 36 5.466 7.344 -1.734
256 HG23 THR 36 2HG2 THR 36 5.024 7.898 -3.349
257 H GLY 37 H GLY 37 7.057 8.286 0.296
258 HA2 GLY 37 1HA GLY 37 7.270 10.968 0.284
259 HA3 GLY 37 2HA GLY 37 7.547 10.029 1.744
260 H GLU 38 H GLU 38 9.911 8.854 1.415
261 HA GLU 38 HA GLU 38 11.737 11.063 1.613
262 HB2 GLU 38 1HB GLU 38 13.391 9.014 1.847
263 HB3 GLU 38 2HB GLU 38 12.313 9.471 3.158
264 HG2 GLU 38 1HG GLU 38 10.963 7.651 2.876
265 HG3 GLU 38 2HG GLU 38 11.356 7.486 1.165
266 H LYS 39 H LYS 39 12.326 12.015 -0.240
267 HA LYS 39 HA LYS 39 12.846 10.420 -2.618
268 HB2 LYS 39 1HB LYS 39 13.305 12.756 -3.601
269 HB3 LYS 39 2HB LYS 39 11.652 12.357 -3.154
270 HG2 LYS 39 1HG LYS 39 11.826 13.630 -1.132
271 HG3 LYS 39 2HG LYS 39 13.548 13.905 -1.403
272 HD2 LYS 39 1HD LYS 39 12.771 14.980 -3.631
273 HD3 LYS 39 2HD LYS 39 11.194 15.070 -2.843
274 HE2 LYS 39 1HE LYS 39 12.378 17.146 -2.513
275 HE3 LYS 39 2HE LYS 39 12.237 16.299 -0.973
276 HZ1 LYS 39 3HZ LYS 39 14.650 16.121 -2.683
277 HZ2 LYS 39 1HZ LYS 39 14.486 15.651 -1.066
278 HZ3 LYS 39 2HZ LYS 39 14.469 17.292 -1.475
279 HA PRO 40 HA PRO 40 17.207 10.243 -2.046
280 HB2 PRO 40 1HB PRO 40 17.967 9.907 -4.630
281 HB3 PRO 40 2HB PRO 40 17.205 8.627 -3.679
282 HG2 PRO 40 1HG PRO 40 15.982 10.476 -5.691
283 HG3 PRO 40 2HG PRO 40 15.727 8.735 -5.471
284 HD2 PRO 40 1HD PRO 40 13.982 10.590 -4.551
285 HD3 PRO 40 2HD PRO 40 14.255 9.043 -3.724
286 H SER 41 H SER 41 16.223 12.178 -4.882
287 HA SER 41 HA SER 41 17.023 14.131 -5.742
288 HB2 SER 41 1HB SER 41 16.000 14.897 -3.568
289 HB3 SER 41 2HB SER 41 17.615 14.838 -2.862
290 HG SER 41 HG SER 41 17.316 16.247 -5.244
291 H GLY 42 H GLY 42 18.902 11.942 -5.507
292 HA2 GLY 42 1HA GLY 42 21.411 13.481 -5.230
293 HA3 GLY 42 2HA GLY 42 21.280 11.775 -4.829
294 HA PRO 43 HA PRO 43 22.808 12.335 -9.231
295 HB2 PRO 43 1HB PRO 43 25.149 11.002 -8.896
296 HB3 PRO 43 2HB PRO 43 24.983 12.739 -8.611
297 HG2 PRO 43 1HG PRO 43 24.976 10.487 -6.638
298 HG3 PRO 43 2HG PRO 43 25.783 12.062 -6.535
299 HD2 PRO 43 1HD PRO 43 23.452 11.533 -5.264
300 HD3 PRO 43 2HD PRO 43 23.857 13.147 -5.883
301 H SER 44 H SER 44 22.981 10.690 -10.816
302 HA SER 44 HA SER 44 23.039 7.929 -10.236
303 HB2 SER 44 1HB SER 44 20.744 8.558 -9.356
304 HB3 SER 44 2HB SER 44 20.293 8.920 -11.022
305 HG SER 44 HG SER 44 20.446 6.819 -11.539
306 H SER 45 H SER 45 22.465 6.602 -12.192
307 HA SER 45 HA SER 45 23.385 8.026 -14.569
308 HB2 SER 45 1HB SER 45 23.392 5.186 -13.670
309 HB3 SER 45 2HB SER 45 23.342 5.492 -15.406
310 HG SER 45 HG SER 45 25.192 6.936 -13.907
311 H GLY 46 H GLY 46 22.240 8.189 -16.451
312 HA2 GLY 46 1HA GLY 46 20.470 7.524 -17.930
313 HA3 GLY 46 2HA GLY 46 19.568 6.958 -16.532
Start of MODEL 7
1 H1 GLY 1 H GLY 1 9.162 -28.692 9.392
2 HA2 GLY 1 1HA GLY 1 7.003 -30.213 10.060
3 HA3 GLY 1 2HA GLY 1 6.984 -28.929 11.259
4 H SER 2 H SER 2 4.833 -29.120 9.686
5 HA SER 2 HA SER 2 4.818 -26.598 8.338
6 HB2 SER 2 1HB SER 2 5.809 -28.207 6.629
7 HB3 SER 2 2HB SER 2 4.233 -28.997 6.600
8 HG SER 2 HG SER 2 5.017 -26.761 5.346
9 H SER 3 H SER 3 2.710 -25.883 7.814
10 HA SER 3 HA SER 3 0.493 -27.635 8.578
11 HB2 SER 3 1HB SER 3 1.152 -24.978 9.837
12 HB3 SER 3 2HB SER 3 -0.488 -25.625 9.849
13 HG SER 3 HG SER 3 1.797 -26.983 10.846
14 H GLY 4 H GLY 4 -1.663 -26.393 8.172
15 HA2 GLY 4 1HA GLY 4 -1.375 -24.883 5.647
16 HA3 GLY 4 2HA GLY 4 -2.612 -26.110 5.880
17 H SER 5 H SER 5 -1.935 -22.840 6.013
18 HA SER 5 HA SER 5 -4.282 -22.329 7.722
19 HB2 SER 5 1HB SER 5 -2.039 -21.418 8.495
20 HB3 SER 5 2HB SER 5 -2.090 -20.344 7.096
21 HG SER 5 HG SER 5 -3.196 -19.949 9.437
22 H SER 6 H SER 6 -6.029 -21.610 6.718
23 HA SER 6 HA SER 6 -6.343 -21.249 4.028
24 HB2 SER 6 1HB SER 6 -8.386 -19.912 4.592
25 HB3 SER 6 2HB SER 6 -8.264 -21.430 5.482
26 HG SER 6 HG SER 6 -8.801 -19.398 6.682
27 H GLY 7 H GLY 7 -5.361 -19.911 2.671
28 HA2 GLY 7 1HA GLY 7 -3.832 -17.705 3.300
29 HA3 GLY 7 2HA GLY 7 -4.582 -17.963 1.731
30 H THR 8 H THR 8 -6.318 -16.755 1.140
31 HA THR 8 HA THR 8 -7.871 -15.262 3.033
32 HB THR 8 HB THR 8 -6.089 -13.685 1.167
33 HG1 THR 8 HG1 THR 8 -6.005 -13.756 4.010
34 HG21 THR 8 3HG2 THR 8 -6.982 -11.737 2.367
35 HG22 THR 8 1HG2 THR 8 -8.039 -12.797 3.298
36 HG23 THR 8 2HG2 THR 8 -8.262 -12.637 1.555
37 H GLY 9 H GLY 9 -9.712 -14.295 2.107
38 HA2 GLY 9 1HA GLY 9 -10.280 -15.266 -0.613
39 HA3 GLY 9 2HA GLY 9 -11.487 -14.895 0.610
40 H GLU 10 H GLU 10 -11.374 -12.500 1.354
41 HA GLU 10 HA GLU 10 -12.214 -10.870 -0.683
42 HB2 GLU 10 1HB GLU 10 -12.368 -10.485 1.835
43 HB3 GLU 10 2HB GLU 10 -10.751 -9.804 1.727
44 HG2 GLU 10 1HG GLU 10 -12.183 -7.966 1.644
45 HG3 GLU 10 2HG GLU 10 -11.696 -8.232 -0.029
46 H ARG 11 H ARG 11 -11.301 -9.638 -2.217
47 HA ARG 11 HA ARG 11 -8.683 -10.025 -3.051
48 HB2 ARG 11 1HB ARG 11 -10.764 -7.962 -3.656
49 HB3 ARG 11 2HB ARG 11 -9.132 -7.740 -4.273
50 HG2 ARG 11 1HG ARG 11 -10.598 -10.308 -4.724
51 HG3 ARG 11 2HG ARG 11 -10.882 -8.905 -5.756
52 HD2 ARG 11 1HD ARG 11 -8.358 -8.823 -6.068
53 HD3 ARG 11 2HD ARG 11 -8.324 -10.426 -5.335
54 HE ARG 11 HE ARG 11 -9.087 -9.786 -7.999
55 HH11 ARG 11 1HH1 ARG 11 -9.751 -11.957 -5.360
56 HH12 ARG 11 2HH1 ARG 11 -10.318 -13.235 -6.383
57 HH21 ARG 11 1HH2 ARG 11 -9.832 -11.460 -9.356
58 HH22 ARG 11 2HH2 ARG 11 -10.363 -12.952 -8.656
59 H HIS 12 H HIS 12 -7.298 -9.770 -1.264
60 HA HIS 12 HA HIS 12 -7.048 -7.098 -0.112
61 HB2 HIS 12 1HB HIS 12 -5.613 -8.102 1.539
62 HB3 HIS 12 2HB HIS 12 -7.036 -9.124 1.356
63 HD1 HIS 12 HD1 HIS 12 -6.684 -11.404 0.082
64 HD2 HIS 12 HD2 HIS 12 -3.203 -9.309 0.950
65 HE1 HIS 12 HE1 HIS 12 -4.811 -13.052 -0.234
66 H TYR 13 H TYR 13 -5.832 -5.699 -1.194
67 HA TYR 13 HA TYR 13 -3.695 -6.606 -2.928
68 HB2 TYR 13 1HB TYR 13 -4.742 -3.836 -2.315
69 HB3 TYR 13 2HB TYR 13 -3.482 -4.187 -3.493
70 HD1 TYR 13 HD2 TYR 13 -6.958 -5.300 -2.669
71 HD2 TYR 13 HD1 TYR 13 -4.122 -4.362 -5.699
72 HE1 TYR 13 HE2 TYR 13 -8.677 -5.677 -4.387
73 HE2 TYR 13 HE1 TYR 13 -5.834 -4.734 -7.425
74 HH TYR 13 HH TYR 13 -8.878 -4.659 -7.042
75 H GLU 14 H GLU 14 -1.653 -6.811 -2.317
76 HA GLU 14 HA GLU 14 -0.808 -5.679 0.238
77 HB2 GLU 14 1HB GLU 14 -0.429 -8.140 -0.667
78 HB3 GLU 14 2HB GLU 14 0.977 -7.401 -1.420
79 HG2 GLU 14 1HG GLU 14 2.020 -7.014 0.572
80 HG3 GLU 14 2HG GLU 14 0.507 -6.908 1.470
81 H CYS 15 H CYS 15 1.309 -4.657 0.422
82 HA CYS 15 HA CYS 15 1.765 -2.838 -1.813
83 HB2 CYS 15 1HB CYS 15 1.496 -1.899 0.450
84 HB3 CYS 15 2HB CYS 15 2.901 -2.812 0.992
85 H SER 16 H SER 16 3.261 -3.297 -3.271
86 HA SER 16 HA SER 16 5.138 -5.382 -3.005
87 HB2 SER 16 1HB SER 16 6.135 -4.404 -5.105
88 HB3 SER 16 2HB SER 16 4.407 -4.747 -5.203
89 HG SER 16 HG SER 16 5.150 -2.206 -4.346
90 H GLU 17 H GLU 17 5.151 -2.252 -1.766
91 HA GLU 17 HA GLU 17 8.005 -1.847 -1.825
92 HB2 GLU 17 1HB GLU 17 6.025 -0.093 -1.693
93 HB3 GLU 17 2HB GLU 17 6.225 -0.340 0.036
94 HG2 GLU 17 1HG GLU 17 7.486 1.592 -0.896
95 HG3 GLU 17 2HG GLU 17 8.473 0.417 -0.029
96 H CYS 18 H CYS 18 5.625 -2.371 0.780
97 HA CYS 18 HA CYS 18 7.811 -3.437 2.440
98 HB2 CYS 18 1HB CYS 18 6.316 -2.929 4.375
99 HB3 CYS 18 2HB CYS 18 6.801 -1.502 3.463
100 H GLY 19 H GLY 19 4.368 -3.903 1.664
101 HA2 GLY 19 1HA GLY 19 3.822 -6.249 0.982
102 HA3 GLY 19 2HA GLY 19 4.696 -6.740 2.426
103 H LYS 20 H LYS 20 2.832 -3.882 2.704
104 HA LYS 20 HA LYS 20 1.149 -5.063 4.687
105 HB2 LYS 20 1HB LYS 20 2.019 -2.634 4.546
106 HB3 LYS 20 2HB LYS 20 0.682 -2.368 3.434
107 HG2 LYS 20 1HG LYS 20 -0.891 -2.522 5.065
108 HG3 LYS 20 2HG LYS 20 0.064 -3.645 6.036
109 HD2 LYS 20 1HD LYS 20 1.639 -1.516 6.249
110 HD3 LYS 20 2HD LYS 20 0.116 -0.675 5.951
111 HE2 LYS 20 1HE LYS 20 0.570 -0.984 8.352
112 HE3 LYS 20 2HE LYS 20 -0.909 -1.793 7.836
113 HZ1 LYS 20 3HZ LYS 20 -0.106 -3.702 8.576
114 HZ2 LYS 20 1HZ LYS 20 1.278 -2.910 9.141
115 HZ3 LYS 20 2HZ LYS 20 1.257 -3.569 7.584
116 H ALA 21 H ALA 21 -0.766 -6.006 4.439
117 HA ALA 21 HA ALA 21 -2.002 -6.027 1.804
118 HB1 ALA 21 3HB ALA 21 -2.040 -7.767 4.165
119 HB2 ALA 21 1HB ALA 21 -3.586 -7.618 3.329
120 HB3 ALA 21 2HB ALA 21 -2.159 -8.171 2.453
121 H PHE 22 H PHE 22 -3.758 -4.897 1.271
122 HA PHE 22 HA PHE 22 -5.279 -3.598 3.435
123 HB2 PHE 22 1HB PHE 22 -4.716 -2.601 0.635
124 HB3 PHE 22 2HB PHE 22 -5.793 -1.807 1.779
125 HD1 PHE 22 HD2 PHE 22 -2.306 -2.608 0.988
126 HD2 PHE 22 HD1 PHE 22 -4.933 -0.559 3.637
127 HE1 PHE 22 HE2 PHE 22 -0.396 -1.367 1.918
128 HE2 PHE 22 HE1 PHE 22 -3.027 0.686 4.571
129 HZ PHE 22 HZ PHE 22 -0.754 0.281 3.712
130 H ALA 23 H ALA 23 -7.538 -2.915 2.622
131 HA ALA 23 HA ALA 23 -8.803 -5.316 1.559
132 HB1 ALA 23 3HB ALA 23 -10.361 -2.941 2.459
133 HB2 ALA 23 1HB ALA 23 -10.733 -4.658 2.611
134 HB3 ALA 23 2HB ALA 23 -9.521 -3.922 3.660
135 H ARG 24 H ARG 24 -8.609 -1.845 0.867
136 HA ARG 24 HA ARG 24 -9.922 -2.329 -1.718
137 HB2 ARG 24 1HB ARG 24 -9.384 0.335 -0.400
138 HB3 ARG 24 2HB ARG 24 -10.413 0.024 -1.792
139 HG2 ARG 24 1HG ARG 24 -12.013 0.169 -0.197
140 HG3 ARG 24 2HG ARG 24 -11.646 -1.551 -0.051
141 HD2 ARG 24 1HD ARG 24 -9.837 -0.632 1.656
142 HD3 ARG 24 2HD ARG 24 -10.983 0.703 1.768
143 HE ARG 24 HE ARG 24 -12.138 -1.930 2.065
144 HH11 ARG 24 1HH1 ARG 24 -10.727 0.823 3.662
145 HH12 ARG 24 2HH1 ARG 24 -11.452 0.470 5.195
146 HH21 ARG 24 1HH2 ARG 24 -13.097 -2.407 4.079
147 HH22 ARG 24 2HH2 ARG 24 -12.799 -1.368 5.432
148 H LYS 25 H LYS 25 -9.021 -1.465 -3.635
149 HA LYS 25 HA LYS 25 -6.212 -1.733 -3.832
150 HB2 LYS 25 1HB LYS 25 -7.519 -2.290 -5.741
151 HB3 LYS 25 2HB LYS 25 -8.307 -0.718 -5.748
152 HG2 LYS 25 1HG LYS 25 -6.806 -0.527 -7.483
153 HG3 LYS 25 2HG LYS 25 -5.919 0.203 -6.143
154 HD2 LYS 25 1HD LYS 25 -4.701 -1.868 -5.790
155 HD3 LYS 25 2HD LYS 25 -5.632 -2.657 -7.066
156 HE2 LYS 25 1HE LYS 25 -3.488 -2.017 -7.945
157 HE3 LYS 25 2HE LYS 25 -4.731 -1.004 -8.678
158 HZ1 LYS 25 3HZ LYS 25 -2.829 -0.256 -6.530
159 HZ2 LYS 25 1HZ LYS 25 -4.163 0.694 -6.956
160 HZ3 LYS 25 2HZ LYS 25 -2.940 0.398 -8.086
161 H SER 26 H SER 26 -8.297 1.128 -4.279
162 HA SER 26 HA SER 26 -6.321 3.024 -4.639
163 HB2 SER 26 1HB SER 26 -9.095 3.149 -3.506
164 HB3 SER 26 2HB SER 26 -8.072 4.585 -3.469
165 HG SER 26 HG SER 26 -8.041 3.345 -5.894
166 H THR 27 H THR 27 -7.767 1.921 -1.589
167 HA THR 27 HA THR 27 -6.590 3.578 0.227
168 HB THR 27 HB THR 27 -6.953 0.589 0.508
169 HG1 THR 27 HG1 THR 27 -8.815 1.624 1.817
170 HG21 THR 27 3HG2 THR 27 -6.363 0.708 2.680
171 HG22 THR 27 1HG2 THR 27 -7.088 2.301 2.894
172 HG23 THR 27 2HG2 THR 27 -5.482 2.151 2.179
173 H LEU 28 H LEU 28 -5.125 0.683 -1.220
174 HA LEU 28 HA LEU 28 -2.730 0.669 0.184
175 HB2 LEU 28 1HB LEU 28 -3.223 -1.194 -1.160
176 HB3 LEU 28 2HB LEU 28 -3.447 -0.200 -2.598
177 HG LEU 28 HG LEU 28 -1.036 0.213 -2.687
178 HD11 LEU 28 1HD1 LEU 28 0.154 0.005 -0.825
179 HD12 LEU 28 2HD1 LEU 28 0.027 -1.743 -1.012
180 HD13 LEU 28 3HD1 LEU 28 -1.145 -0.875 -0.021
181 HD21 LEU 28 3HD2 LEU 28 -0.432 -1.867 -3.567
182 HD22 LEU 28 1HD2 LEU 28 -2.188 -1.820 -3.729
183 HD23 LEU 28 2HD2 LEU 28 -1.448 -2.748 -2.425
184 H ILE 29 H ILE 29 -3.554 2.366 -2.822
185 HA ILE 29 HA ILE 29 -1.090 3.441 -3.453
186 HB ILE 29 HB ILE 29 -3.872 4.509 -3.842
187 HG12 ILE 29 1HG1 ILE 29 -2.999 4.148 -6.291
188 HG13 ILE 29 2HG1 ILE 29 -1.802 3.122 -5.508
189 HG21 ILE 29 1HG2 ILE 29 -1.271 5.862 -4.373
190 HG22 ILE 29 2HG2 ILE 29 -2.603 6.086 -5.506
191 HG23 ILE 29 3HG2 ILE 29 -2.800 6.539 -3.813
192 HD11 ILE 29 3HD1 ILE 29 -3.254 1.465 -5.382
193 HD12 ILE 29 1HD1 ILE 29 -4.403 2.483 -4.515
194 HD13 ILE 29 2HD1 ILE 29 -4.408 2.452 -6.278
195 H MET 30 H MET 30 -3.613 4.899 -1.400
196 HA MET 30 HA MET 30 -2.293 7.236 -0.719
197 HB2 MET 30 1HB MET 30 -4.044 5.651 1.161
198 HB3 MET 30 2HB MET 30 -3.774 7.389 1.164
199 HG2 MET 30 1HG MET 30 -5.397 5.739 -0.725
200 HG3 MET 30 2HG MET 30 -5.872 7.153 0.212
201 HE1 MET 30 3HE MET 30 -6.361 7.439 -3.482
202 HE2 MET 30 1HE MET 30 -4.836 6.649 -3.886
203 HE3 MET 30 2HE MET 30 -5.921 5.920 -2.702
204 H HIS 31 H HIS 31 -1.957 4.002 0.620
205 HA HIS 31 HA HIS 31 -0.347 4.743 2.840
206 HB2 HIS 31 1HB HIS 31 -1.245 2.651 3.159
207 HB3 HIS 31 2HB HIS 31 -1.056 2.193 1.469
208 HD1 HIS 31 HD1 HIS 31 0.766 2.256 4.731
209 HD2 HIS 31 HD2 HIS 31 1.405 1.028 0.814
210 HE1 HIS 31 HE1 HIS 31 2.849 0.849 4.799
211 H GLN 32 H GLN 32 0.474 3.300 -0.314
212 HA GLN 32 HA GLN 32 3.158 3.044 -0.158
213 HB2 GLN 32 1HB GLN 32 1.586 4.190 -2.471
214 HB3 GLN 32 2HB GLN 32 3.257 3.652 -2.583
215 HG2 GLN 32 1HG GLN 32 2.602 1.393 -2.021
216 HG3 GLN 32 2HG GLN 32 0.931 1.910 -1.803
217 HE21 GLN 32 1HE2 GLN 32 1.781 -0.119 -3.562
218 HE22 GLN 32 2HE2 GLN 32 1.429 0.389 -5.175
219 H ARG 33 H ARG 33 1.384 6.027 -0.165
220 HA ARG 33 HA ARG 33 3.304 7.858 -0.942
221 HB2 ARG 33 1HB ARG 33 1.102 8.049 1.107
222 HB3 ARG 33 2HB ARG 33 2.116 9.423 0.689
223 HG2 ARG 33 1HG ARG 33 1.294 9.506 -1.503
224 HG3 ARG 33 2HG ARG 33 0.601 7.887 -1.393
225 HD2 ARG 33 1HD ARG 33 -1.108 8.630 0.083
226 HD3 ARG 33 2HD ARG 33 -0.322 10.193 0.306
227 HE ARG 33 HE ARG 33 -1.990 9.380 -1.907
228 HH11 ARG 33 1HH1 ARG 33 0.404 11.628 -0.750
229 HH12 ARG 33 2HH1 ARG 33 -0.005 12.857 -1.901
230 HH21 ARG 33 1HH2 ARG 33 -2.537 10.990 -3.427
231 HH22 ARG 33 2HH2 ARG 33 -1.679 12.494 -3.422
232 H ILE 34 H ILE 34 2.778 6.428 2.260
233 HA ILE 34 HA ILE 34 4.550 7.852 3.787
234 HB ILE 34 HB ILE 34 4.669 6.027 5.283
235 HG12 ILE 34 1HG1 ILE 34 3.836 4.215 3.007
236 HG13 ILE 34 2HG1 ILE 34 5.475 4.359 3.631
237 HG21 ILE 34 1HG2 ILE 34 2.461 5.777 5.728
238 HG22 ILE 34 2HG2 ILE 34 2.319 6.995 4.462
239 HG23 ILE 34 3HG2 ILE 34 2.070 5.292 4.078
240 HD11 ILE 34 3HD1 ILE 34 3.062 3.292 5.069
241 HD12 ILE 34 1HD1 ILE 34 4.490 2.398 4.550
242 HD13 ILE 34 2HD1 ILE 34 4.619 3.595 5.840
243 H HIS 35 H HIS 35 5.263 5.244 1.523
244 HA HIS 35 HA HIS 35 8.004 4.979 2.186
245 HB2 HIS 35 1HB HIS 35 6.468 4.268 -0.317
246 HB3 HIS 35 2HB HIS 35 8.162 3.858 -0.066
247 HD1 HIS 35 HD1 HIS 35 8.391 2.579 2.512
248 HD2 HIS 35 HD2 HIS 35 4.933 2.135 0.253
249 HE1 HIS 35 HE1 HIS 35 7.288 0.491 3.376
250 H THR 36 H THR 36 6.600 6.347 -0.795
251 HA THR 36 HA THR 36 8.899 7.584 -1.722
252 HB THR 36 HB THR 36 6.930 7.338 -3.130
253 HG1 THR 36 HG1 THR 36 7.895 9.968 -2.688
254 HG21 THR 36 3HG2 THR 36 4.933 8.603 -2.842
255 HG22 THR 36 1HG2 THR 36 5.649 9.562 -1.548
256 HG23 THR 36 2HG2 THR 36 5.289 7.855 -1.285
257 H GLY 37 H GLY 37 10.061 9.265 -1.048
258 HA2 GLY 37 1HA GLY 37 9.317 11.750 -0.313
259 HA3 GLY 37 2HA GLY 37 9.120 10.851 1.185
260 H GLU 38 H GLU 38 11.305 9.084 0.897
261 HA GLU 38 HA GLU 38 13.714 10.518 0.388
262 HB2 GLU 38 1HB GLU 38 12.835 11.501 2.585
263 HB3 GLU 38 2HB GLU 38 13.208 9.938 3.299
264 HG2 GLU 38 1HG GLU 38 15.125 11.067 3.773
265 HG3 GLU 38 2HG GLU 38 15.559 10.359 2.218
266 H LYS 39 H LYS 39 15.083 9.012 -0.270
267 HA LYS 39 HA LYS 39 14.628 6.245 0.103
268 HB2 LYS 39 1HB LYS 39 15.865 7.393 -1.815
269 HB3 LYS 39 2HB LYS 39 17.249 7.477 -0.734
270 HG2 LYS 39 1HG LYS 39 17.281 5.057 -0.550
271 HG3 LYS 39 2HG LYS 39 15.853 4.946 -1.581
272 HD2 LYS 39 1HD LYS 39 17.678 4.512 -3.003
273 HD3 LYS 39 2HD LYS 39 17.221 6.184 -3.337
274 HE2 LYS 39 1HE LYS 39 19.579 6.164 -3.185
275 HE3 LYS 39 2HE LYS 39 18.997 6.867 -1.676
276 HZ1 LYS 39 3HZ LYS 39 19.239 4.052 -1.443
277 HZ2 LYS 39 1HZ LYS 39 19.984 5.266 -0.530
278 HZ3 LYS 39 2HZ LYS 39 20.704 4.721 -1.961
279 HA PRO 40 HA PRO 40 16.533 5.573 4.022
280 HB2 PRO 40 1HB PRO 40 16.947 2.898 3.808
281 HB3 PRO 40 2HB PRO 40 15.350 3.605 4.083
282 HG2 PRO 40 1HG PRO 40 16.578 2.635 1.531
283 HG3 PRO 40 2HG PRO 40 14.930 2.397 2.141
284 HD2 PRO 40 1HD PRO 40 15.536 4.258 0.271
285 HD3 PRO 40 2HD PRO 40 14.242 4.490 1.463
286 H SER 41 H SER 41 18.531 4.677 4.969
287 HA SER 41 HA SER 41 20.826 5.607 3.753
288 HB2 SER 41 1HB SER 41 22.074 4.395 5.448
289 HB3 SER 41 2HB SER 41 20.607 5.054 6.172
290 HG SER 41 HG SER 41 19.673 3.014 6.049
291 H GLY 42 H GLY 42 21.887 4.962 2.007
292 HA2 GLY 42 1HA GLY 42 22.892 3.587 0.460
293 HA3 GLY 42 2HA GLY 42 22.634 2.251 1.572
294 HA PRO 43 HA PRO 43 19.617 2.314 -2.166
295 HB2 PRO 43 1HB PRO 43 20.973 0.745 -3.918
296 HB3 PRO 43 2HB PRO 43 21.109 2.507 -3.902
297 HG2 PRO 43 1HG PRO 43 22.945 0.455 -2.726
298 HG3 PRO 43 2HG PRO 43 23.345 1.925 -3.633
299 HD2 PRO 43 1HD PRO 43 23.491 1.794 -0.932
300 HD3 PRO 43 2HD PRO 43 23.064 3.287 -1.794
301 H SER 44 H SER 44 18.067 0.841 -1.902
302 HA SER 44 HA SER 44 18.833 -1.936 -1.304
303 HB2 SER 44 1HB SER 44 16.957 -0.146 0.192
304 HB3 SER 44 2HB SER 44 16.612 -1.874 0.117
305 HG SER 44 HG SER 44 19.167 -0.938 0.853
306 H SER 45 H SER 45 18.228 -1.006 -3.845
307 HA SER 45 HA SER 45 15.522 -2.074 -4.312
308 HB2 SER 45 1HB SER 45 17.138 -0.178 -6.034
309 HB3 SER 45 2HB SER 45 15.533 -0.796 -6.425
310 HG SER 45 HG SER 45 16.152 0.711 -4.101
311 H GLY 46 H GLY 46 15.302 -3.088 -6.555
312 HA2 GLY 46 1HA GLY 46 17.731 -4.641 -7.195
313 HA3 GLY 46 2HA GLY 46 16.165 -5.421 -7.025
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -1.969 -6.915 -17.420
2 HA2 GLY 1 1HA GLY 1 -3.919 -7.980 -19.149
3 HA3 GLY 1 2HA GLY 1 -2.337 -8.532 -19.680
4 H SER 2 H SER 2 -1.387 -10.199 -18.649
5 HA SER 2 HA SER 2 -1.512 -12.191 -17.476
6 HB2 SER 2 1HB SER 2 -0.915 -11.847 -15.151
7 HB3 SER 2 2HB SER 2 -0.108 -10.625 -16.133
8 HG SER 2 HG SER 2 -2.282 -9.461 -15.531
9 H SER 3 H SER 3 -4.071 -11.565 -18.326
10 HA SER 3 HA SER 3 -6.003 -11.469 -16.279
11 HB2 SER 3 1HB SER 3 -6.099 -12.401 -19.145
12 HB3 SER 3 2HB SER 3 -7.517 -12.464 -18.099
13 HG SER 3 HG SER 3 -7.775 -10.438 -18.546
14 H GLY 4 H GLY 4 -5.785 -12.928 -14.655
15 HA2 GLY 4 1HA GLY 4 -6.175 -15.751 -15.396
16 HA3 GLY 4 2HA GLY 4 -4.902 -15.317 -14.265
17 H SER 5 H SER 5 -6.817 -17.106 -13.510
18 HA SER 5 HA SER 5 -8.490 -15.543 -11.653
19 HB2 SER 5 1HB SER 5 -10.042 -17.493 -11.646
20 HB3 SER 5 2HB SER 5 -9.893 -16.739 -13.233
21 HG SER 5 HG SER 5 -8.708 -19.145 -12.324
22 H SER 6 H SER 6 -7.907 -15.705 -9.601
23 HA SER 6 HA SER 6 -6.631 -18.196 -8.684
24 HB2 SER 6 1HB SER 6 -4.977 -16.348 -8.916
25 HB3 SER 6 2HB SER 6 -5.916 -15.403 -7.760
26 HG SER 6 HG SER 6 -5.175 -17.975 -6.995
27 H GLY 7 H GLY 7 -6.991 -18.766 -6.485
28 HA2 GLY 7 1HA GLY 7 -8.416 -19.142 -4.719
29 HA3 GLY 7 2HA GLY 7 -8.403 -17.391 -4.569
30 H THR 8 H THR 8 -10.544 -17.261 -3.913
31 HA THR 8 HA THR 8 -12.565 -18.146 -5.857
32 HB THR 8 HB THR 8 -14.207 -17.826 -4.019
33 HG1 THR 8 HG1 THR 8 -12.667 -16.318 -2.879
34 HG21 THR 8 3HG2 THR 8 -12.098 -19.814 -4.136
35 HG22 THR 8 1HG2 THR 8 -13.824 -20.021 -3.836
36 HG23 THR 8 2HG2 THR 8 -12.738 -19.630 -2.503
37 H GLY 9 H GLY 9 -11.299 -15.361 -4.151
38 HA2 GLY 9 1HA GLY 9 -11.840 -13.422 -5.937
39 HA3 GLY 9 2HA GLY 9 -13.387 -13.601 -5.122
40 H GLU 10 H GLU 10 -9.978 -13.534 -4.070
41 HA GLU 10 HA GLU 10 -10.677 -12.034 -1.715
42 HB2 GLU 10 1HB GLU 10 -8.813 -13.801 -1.961
43 HB3 GLU 10 2HB GLU 10 -7.875 -12.510 -2.698
44 HG2 GLU 10 1HG GLU 10 -7.634 -11.373 -0.741
45 HG3 GLU 10 2HG GLU 10 -9.150 -11.976 -0.074
46 H ARG 11 H ARG 11 -10.396 -9.899 -1.325
47 HA ARG 11 HA ARG 11 -9.454 -8.257 -3.582
48 HB2 ARG 11 1HB ARG 11 -10.944 -6.527 -2.878
49 HB3 ARG 11 2HB ARG 11 -11.866 -8.024 -2.922
50 HG2 ARG 11 1HG ARG 11 -12.138 -8.091 -0.664
51 HG3 ARG 11 2HG ARG 11 -10.623 -7.242 -0.345
52 HD2 ARG 11 1HD ARG 11 -11.741 -5.188 -1.336
53 HD3 ARG 11 2HD ARG 11 -13.253 -6.091 -1.241
54 HE ARG 11 HE ARG 11 -11.749 -5.932 1.225
55 HH11 ARG 11 1HH1 ARG 11 -14.249 -4.545 -0.761
56 HH12 ARG 11 2HH1 ARG 11 -15.022 -3.727 0.555
57 HH21 ARG 11 1HH2 ARG 11 -12.758 -4.859 2.967
58 HH22 ARG 11 2HH2 ARG 11 -14.173 -3.905 2.675
59 H HIS 12 H HIS 12 -7.655 -9.380 -1.701
60 HA HIS 12 HA HIS 12 -6.916 -7.141 0.033
61 HB2 HIS 12 1HB HIS 12 -6.686 -8.996 1.352
62 HB3 HIS 12 2HB HIS 12 -6.323 -10.052 -0.010
63 HD1 HIS 12 HD1 HIS 12 -4.261 -11.068 1.129
64 HD2 HIS 12 HD2 HIS 12 -4.057 -6.944 0.670
65 HE1 HIS 12 HE1 HIS 12 -1.875 -10.453 1.631
66 H TYR 13 H TYR 13 -5.504 -5.693 -0.665
67 HA TYR 13 HA TYR 13 -3.600 -6.481 -2.768
68 HB2 TYR 13 1HB TYR 13 -4.543 -3.689 -2.096
69 HB3 TYR 13 2HB TYR 13 -3.559 -4.169 -3.474
70 HD1 TYR 13 HD2 TYR 13 -6.900 -4.819 -1.942
71 HD2 TYR 13 HD1 TYR 13 -4.591 -4.580 -5.508
72 HE1 TYR 13 HE2 TYR 13 -8.940 -5.144 -3.278
73 HE2 TYR 13 HE1 TYR 13 -6.625 -4.903 -6.854
74 HH TYR 13 HH TYR 13 -9.074 -4.569 -6.597
75 H GLU 14 H GLU 14 -1.751 -7.034 -1.777
76 HA GLU 14 HA GLU 14 -0.825 -5.646 0.581
77 HB2 GLU 14 1HB GLU 14 -0.538 -8.180 -0.137
78 HB3 GLU 14 2HB GLU 14 0.906 -7.556 -0.923
79 HG2 GLU 14 1HG GLU 14 1.856 -6.878 1.107
80 HG3 GLU 14 2HG GLU 14 0.323 -7.015 1.967
81 H CYS 15 H CYS 15 1.257 -4.617 0.738
82 HA CYS 15 HA CYS 15 1.834 -3.013 -1.618
83 HB2 CYS 15 1HB CYS 15 1.574 -1.926 0.588
84 HB3 CYS 15 2HB CYS 15 2.964 -2.828 1.182
85 H SER 16 H SER 16 3.291 -3.689 -3.033
86 HA SER 16 HA SER 16 5.126 -5.778 -2.542
87 HB2 SER 16 1HB SER 16 4.632 -3.863 -4.775
88 HB3 SER 16 2HB SER 16 6.168 -4.729 -4.754
89 HG SER 16 HG SER 16 5.135 -6.408 -5.447
90 H GLU 17 H GLU 17 5.204 -2.549 -1.645
91 HA GLU 17 HA GLU 17 8.071 -2.207 -1.799
92 HB2 GLU 17 1HB GLU 17 6.191 -0.387 -1.927
93 HB3 GLU 17 2HB GLU 17 6.275 -0.445 -0.172
94 HG2 GLU 17 1HG GLU 17 7.659 1.338 -1.020
95 HG3 GLU 17 2HG GLU 17 8.659 0.094 -0.272
96 H CYS 18 H CYS 18 5.672 -2.461 0.824
97 HA CYS 18 HA CYS 18 7.857 -3.268 2.627
98 HB2 CYS 18 1HB CYS 18 6.368 -2.550 4.475
99 HB3 CYS 18 2HB CYS 18 6.765 -1.234 3.375
100 H GLY 19 H GLY 19 4.445 -3.900 1.841
101 HA2 GLY 19 1HA GLY 19 3.881 -6.276 1.441
102 HA3 GLY 19 2HA GLY 19 4.840 -6.644 2.867
103 H LYS 20 H LYS 20 2.749 -3.861 2.766
104 HA LYS 20 HA LYS 20 1.213 -4.951 4.976
105 HB2 LYS 20 1HB LYS 20 2.119 -2.568 4.865
106 HB3 LYS 20 2HB LYS 20 0.857 -2.250 3.683
107 HG2 LYS 20 1HG LYS 20 -0.841 -2.477 5.239
108 HG3 LYS 20 2HG LYS 20 0.166 -3.411 6.349
109 HD2 LYS 20 1HD LYS 20 1.429 -1.458 6.940
110 HD3 LYS 20 2HD LYS 20 0.623 -0.503 5.693
111 HE2 LYS 20 1HE LYS 20 -1.546 -1.096 6.946
112 HE3 LYS 20 2HE LYS 20 -0.483 -1.552 8.277
113 HZ1 LYS 20 3HZ LYS 20 0.515 0.781 7.896
114 HZ2 LYS 20 1HZ LYS 20 -0.952 0.643 8.729
115 HZ3 LYS 20 2HZ LYS 20 -0.943 1.108 7.103
116 H ALA 21 H ALA 21 -0.790 -5.747 4.841
117 HA ALA 21 HA ALA 21 -2.058 -5.870 2.225
118 HB1 ALA 21 3HB ALA 21 -3.459 -7.574 3.143
119 HB2 ALA 21 1HB ALA 21 -1.804 -7.895 3.662
120 HB3 ALA 21 2HB ALA 21 -2.958 -7.176 4.786
121 H PHE 22 H PHE 22 -3.980 -4.946 1.691
122 HA PHE 22 HA PHE 22 -5.328 -3.335 3.754
123 HB2 PHE 22 1HB PHE 22 -4.793 -2.519 0.889
124 HB3 PHE 22 2HB PHE 22 -5.747 -1.597 2.047
125 HD1 PHE 22 HD2 PHE 22 -2.384 -2.631 1.062
126 HD2 PHE 22 HD1 PHE 22 -4.689 -0.389 3.851
127 HE1 PHE 22 HE2 PHE 22 -0.343 -1.493 1.830
128 HE2 PHE 22 HE1 PHE 22 -2.651 0.754 4.622
129 HZ PHE 22 HZ PHE 22 -0.474 0.201 3.613
130 H ALA 23 H ALA 23 -7.584 -2.778 3.193
131 HA ALA 23 HA ALA 23 -8.909 -5.106 2.060
132 HB1 ALA 23 3HB ALA 23 -10.494 -2.835 3.104
133 HB2 ALA 23 1HB ALA 23 -10.709 -4.571 3.330
134 HB3 ALA 23 2HB ALA 23 -9.482 -3.706 4.256
135 H ARG 24 H ARG 24 -8.668 -1.625 1.494
136 HA ARG 24 HA ARG 24 -10.199 -1.954 -0.994
137 HB2 ARG 24 1HB ARG 24 -9.440 0.637 0.360
138 HB3 ARG 24 2HB ARG 24 -10.600 0.413 -0.943
139 HG2 ARG 24 1HG ARG 24 -12.046 0.565 0.791
140 HG3 ARG 24 2HG ARG 24 -11.738 -1.172 0.855
141 HD2 ARG 24 1HD ARG 24 -9.747 -0.369 2.417
142 HD3 ARG 24 2HD ARG 24 -10.834 0.995 2.674
143 HE ARG 24 HE ARG 24 -12.033 -1.618 2.994
144 HH11 ARG 24 1HH1 ARG 24 -10.437 1.065 4.533
145 HH12 ARG 24 2HH1 ARG 24 -11.043 0.688 6.112
146 HH21 ARG 24 1HH2 ARG 24 -12.837 -2.125 5.067
147 HH22 ARG 24 2HH2 ARG 24 -12.407 -1.127 6.415
148 H LYS 25 H LYS 25 -9.294 -1.579 -2.944
149 HA LYS 25 HA LYS 25 -6.540 -1.729 -3.299
150 HB2 LYS 25 1HB LYS 25 -7.960 -2.371 -5.098
151 HB3 LYS 25 2HB LYS 25 -8.740 -0.795 -5.137
152 HG2 LYS 25 1HG LYS 25 -7.284 -0.917 -7.004
153 HG3 LYS 25 2HG LYS 25 -6.545 0.179 -5.835
154 HD2 LYS 25 1HD LYS 25 -5.126 -1.687 -5.042
155 HD3 LYS 25 2HD LYS 25 -5.820 -2.714 -6.299
156 HE2 LYS 25 1HE LYS 25 -4.836 -1.457 -8.020
157 HE3 LYS 25 2HE LYS 25 -4.491 -0.101 -6.948
158 HZ1 LYS 25 3HZ LYS 25 -3.232 -2.510 -6.073
159 HZ2 LYS 25 1HZ LYS 25 -2.553 -0.990 -6.376
160 HZ3 LYS 25 2HZ LYS 25 -2.757 -2.093 -7.642
161 H SER 26 H SER 26 -8.664 1.114 -3.562
162 HA SER 26 HA SER 26 -6.728 2.997 -4.218
163 HB2 SER 26 1HB SER 26 -8.295 4.677 -3.465
164 HB3 SER 26 2HB SER 26 -9.202 3.378 -4.238
165 HG SER 26 HG SER 26 -9.710 4.323 -1.930
166 H THR 27 H THR 27 -7.867 1.976 -1.015
167 HA THR 27 HA THR 27 -6.506 3.696 0.619
168 HB THR 27 HB THR 27 -7.001 0.743 1.012
169 HG1 THR 27 HG1 THR 27 -8.719 1.546 2.294
170 HG21 THR 27 3HG2 THR 27 -6.777 1.606 3.513
171 HG22 THR 27 1HG2 THR 27 -5.667 2.748 2.757
172 HG23 THR 27 2HG2 THR 27 -5.385 1.013 2.608
173 H LEU 28 H LEU 28 -5.250 0.622 -0.674
174 HA LEU 28 HA LEU 28 -2.746 0.616 0.450
175 HB2 LEU 28 1HB LEU 28 -3.346 -1.273 -0.780
176 HB3 LEU 28 2HB LEU 28 -3.754 -0.325 -2.209
177 HG LEU 28 HG LEU 28 -1.369 0.092 -2.603
178 HD11 LEU 28 1HD1 LEU 28 0.342 -0.908 -1.310
179 HD12 LEU 28 2HD1 LEU 28 -0.818 -1.854 -0.377
180 HD13 LEU 28 3HD1 LEU 28 -0.740 -0.104 -0.172
181 HD21 LEU 28 3HD2 LEU 28 -0.924 -1.967 -3.565
182 HD22 LEU 28 1HD2 LEU 28 -2.680 -1.996 -3.398
183 HD23 LEU 28 2HD2 LEU 28 -1.670 -2.863 -2.241
184 H ILE 29 H ILE 29 -3.677 2.135 -2.633
185 HA ILE 29 HA ILE 29 -1.245 3.166 -3.403
186 HB ILE 29 HB ILE 29 -4.028 4.249 -3.751
187 HG12 ILE 29 1HG1 ILE 29 -3.270 3.696 -6.203
188 HG13 ILE 29 2HG1 ILE 29 -2.060 2.702 -5.400
189 HG21 ILE 29 1HG2 ILE 29 -2.916 6.252 -3.910
190 HG22 ILE 29 2HG2 ILE 29 -1.427 5.503 -4.487
191 HG23 ILE 29 3HG2 ILE 29 -2.805 5.678 -5.574
192 HD11 ILE 29 3HD1 ILE 29 -4.453 1.789 -6.125
193 HD12 ILE 29 1HD1 ILE 29 -3.572 1.170 -4.729
194 HD13 ILE 29 2HD1 ILE 29 -4.851 2.364 -4.507
195 H MET 30 H MET 30 -3.698 4.826 -1.414
196 HA MET 30 HA MET 30 -2.358 7.174 -0.911
197 HB2 MET 30 1HB MET 30 -3.948 5.735 1.206
198 HB3 MET 30 2HB MET 30 -3.768 7.469 0.979
199 HG2 MET 30 1HG MET 30 -5.339 5.539 -0.698
200 HG3 MET 30 2HG MET 30 -5.938 6.896 0.252
201 HE1 MET 30 3HE MET 30 -6.733 7.235 -3.381
202 HE2 MET 30 1HE MET 30 -5.241 6.422 -3.855
203 HE3 MET 30 2HE MET 30 -6.245 5.743 -2.574
204 H HIS 31 H HIS 31 -1.953 4.045 0.660
205 HA HIS 31 HA HIS 31 -0.192 4.964 2.695
206 HB2 HIS 31 1HB HIS 31 -1.097 2.937 3.285
207 HB3 HIS 31 2HB HIS 31 -1.044 2.312 1.639
208 HD1 HIS 31 HD1 HIS 31 0.939 2.531 4.774
209 HD2 HIS 31 HD2 HIS 31 1.414 1.133 0.890
210 HE1 HIS 31 HE1 HIS 31 3.013 1.109 4.820
211 H GLN 32 H GLN 32 0.408 3.139 -0.311
212 HA GLN 32 HA GLN 32 3.078 2.846 -0.321
213 HB2 GLN 32 1HB GLN 32 1.310 3.751 -2.590
214 HB3 GLN 32 2HB GLN 32 3.001 3.326 -2.818
215 HG2 GLN 32 1HG GLN 32 2.500 1.083 -1.872
216 HG3 GLN 32 2HG GLN 32 0.795 1.529 -1.845
217 HE21 GLN 32 1HE2 GLN 32 2.607 -0.425 -3.401
218 HE22 GLN 32 2HE2 GLN 32 2.078 -0.228 -5.034
219 H ARG 33 H ARG 33 1.368 5.877 -0.683
220 HA ARG 33 HA ARG 33 3.282 7.556 -1.690
221 HB2 ARG 33 1HB ARG 33 1.268 8.053 0.503
222 HB3 ARG 33 2HB ARG 33 2.242 9.329 -0.214
223 HG2 ARG 33 1HG ARG 33 1.198 9.108 -2.301
224 HG3 ARG 33 2HG ARG 33 0.500 7.544 -1.877
225 HD2 ARG 33 1HD ARG 33 -1.323 8.926 -1.639
226 HD3 ARG 33 2HD ARG 33 -0.687 8.911 0.005
227 HE ARG 33 HE ARG 33 -0.207 11.138 -0.200
228 HH11 ARG 33 1HH1 ARG 33 -0.759 9.798 -3.366
229 HH12 ARG 33 2HH1 ARG 33 -0.724 11.334 -4.165
230 HH21 ARG 33 1HH2 ARG 33 -0.158 13.167 -1.242
231 HH22 ARG 33 2HH2 ARG 33 -0.382 13.250 -2.956
232 H ILE 34 H ILE 34 2.914 6.534 1.690
233 HA ILE 34 HA ILE 34 4.807 8.024 2.954
234 HB ILE 34 HB ILE 34 5.021 6.330 4.590
235 HG12 ILE 34 1HG1 ILE 34 4.023 4.340 2.540
236 HG13 ILE 34 2HG1 ILE 34 5.704 4.521 3.032
237 HG21 ILE 34 1HG2 ILE 34 2.892 6.547 5.173
238 HG22 ILE 34 2HG2 ILE 34 2.511 7.036 3.523
239 HG23 ILE 34 3HG2 ILE 34 2.414 5.336 3.984
240 HD11 ILE 34 3HD1 ILE 34 4.751 4.092 5.418
241 HD12 ILE 34 1HD1 ILE 34 3.402 3.380 4.533
242 HD13 ILE 34 2HD1 ILE 34 5.033 2.747 4.313
243 H HIS 35 H HIS 35 5.357 5.274 0.830
244 HA HIS 35 HA HIS 35 8.162 5.098 1.345
245 HB2 HIS 35 1HB HIS 35 6.495 4.022 -0.938
246 HB3 HIS 35 2HB HIS 35 8.186 3.620 -0.658
247 HD1 HIS 35 HD1 HIS 35 8.484 2.702 2.037
248 HD2 HIS 35 HD2 HIS 35 4.897 2.087 0.032
249 HE1 HIS 35 HE1 HIS 35 7.352 0.811 3.248
250 H THR 36 H THR 36 6.371 6.130 -1.566
251 HA THR 36 HA THR 36 8.681 7.361 -2.718
252 HB THR 36 HB THR 36 6.938 6.450 -4.159
253 HG1 THR 36 HG1 THR 36 6.501 8.661 -5.267
254 HG21 THR 36 3HG2 THR 36 5.027 8.627 -3.785
255 HG22 THR 36 1HG2 THR 36 5.165 7.569 -2.381
256 HG23 THR 36 2HG2 THR 36 4.748 6.895 -3.957
257 H GLY 37 H GLY 37 9.509 9.248 -2.119
258 HA2 GLY 37 1HA GLY 37 7.668 11.420 -1.379
259 HA3 GLY 37 2HA GLY 37 9.001 11.019 -0.306
260 H GLU 38 H GLU 38 8.426 11.752 -3.749
261 HA GLU 38 HA GLU 38 11.066 12.962 -3.934
262 HB2 GLU 38 1HB GLU 38 9.951 11.458 -5.718
263 HB3 GLU 38 2HB GLU 38 9.029 12.894 -6.143
264 HG2 GLU 38 1HG GLU 38 10.799 12.961 -7.619
265 HG3 GLU 38 2HG GLU 38 11.324 14.044 -6.331
266 H LYS 39 H LYS 39 11.466 15.086 -3.922
267 HA LYS 39 HA LYS 39 9.239 16.960 -4.289
268 HB2 LYS 39 1HB LYS 39 11.092 16.790 -1.929
269 HB3 LYS 39 2HB LYS 39 10.350 18.319 -2.382
270 HG2 LYS 39 1HG LYS 39 8.607 15.932 -2.051
271 HG3 LYS 39 2HG LYS 39 9.239 16.735 -0.612
272 HD2 LYS 39 1HD LYS 39 7.893 18.289 -2.797
273 HD3 LYS 39 2HD LYS 39 6.956 17.490 -1.533
274 HE2 LYS 39 1HE LYS 39 9.244 19.202 -0.715
275 HE3 LYS 39 2HE LYS 39 7.782 19.997 -1.297
276 HZ1 LYS 39 3HZ LYS 39 7.504 19.804 1.000
277 HZ2 LYS 39 1HZ LYS 39 8.090 18.217 1.045
278 HZ3 LYS 39 2HZ LYS 39 6.574 18.540 0.368
279 HA PRO 40 HA PRO 40 12.107 19.080 -6.869
280 HB2 PRO 40 1HB PRO 40 10.963 21.541 -6.858
281 HB3 PRO 40 2HB PRO 40 10.285 20.171 -7.745
282 HG2 PRO 40 1HG PRO 40 9.499 21.276 -5.076
283 HG3 PRO 40 2HG PRO 40 8.465 20.730 -6.409
284 HD2 PRO 40 1HD PRO 40 8.970 19.197 -4.234
285 HD3 PRO 40 2HD PRO 40 8.702 18.507 -5.847
286 H SER 41 H SER 41 13.479 21.076 -6.898
287 HA SER 41 HA SER 41 14.623 21.477 -4.249
288 HB2 SER 41 1HB SER 41 16.506 22.522 -5.477
289 HB3 SER 41 2HB SER 41 16.157 20.891 -6.053
290 HG SER 41 HG SER 41 15.656 21.680 -7.935
291 H GLY 42 H GLY 42 13.067 22.861 -3.331
292 HA2 GLY 42 1HA GLY 42 13.292 25.351 -2.867
293 HA3 GLY 42 2HA GLY 42 12.885 25.535 -4.566
294 HA PRO 43 HA PRO 43 8.607 25.604 -3.636
295 HB2 PRO 43 1HB PRO 43 7.517 24.185 -5.677
296 HB3 PRO 43 2HB PRO 43 8.204 25.800 -5.889
297 HG2 PRO 43 1HG PRO 43 9.425 23.130 -6.473
298 HG3 PRO 43 2HG PRO 43 9.467 24.615 -7.441
299 HD2 PRO 43 1HD PRO 43 11.540 23.832 -5.884
300 HD3 PRO 43 2HD PRO 43 11.158 25.541 -6.177
301 H SER 44 H SER 44 6.603 24.153 -3.442
302 HA SER 44 HA SER 44 7.250 21.404 -2.692
303 HB2 SER 44 1HB SER 44 6.299 21.582 -0.495
304 HB3 SER 44 2HB SER 44 7.489 22.872 -0.654
305 HG SER 44 HG SER 44 5.916 24.344 -0.731
306 H SER 45 H SER 45 5.657 19.995 -3.147
307 HA SER 45 HA SER 45 3.075 21.118 -4.018
308 HB2 SER 45 1HB SER 45 2.916 19.441 -5.682
309 HB3 SER 45 2HB SER 45 4.586 20.003 -5.763
310 HG SER 45 HG SER 45 4.747 17.831 -5.720
311 H GLY 46 H GLY 46 1.170 20.040 -3.458
312 HA2 GLY 46 1HA GLY 46 0.366 17.820 -2.467
313 HA3 GLY 46 2HA GLY 46 1.473 18.218 -1.161
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -2.996 -28.001 -13.639
2 HA2 GLY 1 1HA GLY 1 -1.457 -30.462 -13.120
3 HA3 GLY 1 2HA GLY 1 -1.078 -28.975 -12.261
4 H SER 2 H SER 2 -1.816 -31.428 -11.039
5 HA SER 2 HA SER 2 -4.449 -30.728 -9.915
6 HB2 SER 2 1HB SER 2 -4.128 -32.983 -11.153
7 HB3 SER 2 2HB SER 2 -3.231 -33.472 -9.716
8 HG SER 2 HG SER 2 -5.207 -32.708 -8.557
9 H SER 3 H SER 3 -2.169 -29.445 -8.991
10 HA SER 3 HA SER 3 -1.960 -30.565 -6.279
11 HB2 SER 3 1HB SER 3 0.134 -30.937 -7.662
12 HB3 SER 3 2HB SER 3 0.331 -29.185 -7.686
13 HG SER 3 HG SER 3 0.216 -29.364 -5.310
14 H GLY 4 H GLY 4 -2.123 -29.124 -4.624
15 HA2 GLY 4 1HA GLY 4 -2.764 -27.180 -3.580
16 HA3 GLY 4 2HA GLY 4 -1.586 -26.415 -4.637
17 H SER 5 H SER 5 -4.930 -26.989 -4.018
18 HA SER 5 HA SER 5 -6.038 -26.180 -6.465
19 HB2 SER 5 1HB SER 5 -7.043 -26.230 -3.638
20 HB3 SER 5 2HB SER 5 -8.014 -25.476 -4.902
21 HG SER 5 HG SER 5 -8.605 -27.407 -5.438
22 H SER 6 H SER 6 -7.052 -24.174 -7.035
23 HA SER 6 HA SER 6 -6.122 -21.804 -5.592
24 HB2 SER 6 1HB SER 6 -4.453 -22.250 -7.365
25 HB3 SER 6 2HB SER 6 -5.738 -22.189 -8.572
26 HG SER 6 HG SER 6 -4.770 -20.181 -8.477
27 H GLY 7 H GLY 7 -7.302 -19.869 -6.103
28 HA2 GLY 7 1HA GLY 7 -9.155 -19.077 -7.701
29 HA3 GLY 7 2HA GLY 7 -10.011 -20.483 -7.085
30 H THR 8 H THR 8 -8.212 -17.683 -5.799
31 HA THR 8 HA THR 8 -10.052 -17.574 -3.535
32 HB THR 8 HB THR 8 -8.496 -15.726 -2.750
33 HG1 THR 8 HG1 THR 8 -7.385 -15.097 -4.518
34 HG21 THR 8 3HG2 THR 8 -8.385 -18.117 -2.008
35 HG22 THR 8 1HG2 THR 8 -6.850 -17.256 -1.921
36 HG23 THR 8 2HG2 THR 8 -7.155 -18.384 -3.243
37 H GLY 9 H GLY 9 -11.344 -15.810 -3.052
38 HA2 GLY 9 1HA GLY 9 -11.870 -14.028 -5.333
39 HA3 GLY 9 2HA GLY 9 -13.014 -14.415 -4.057
40 H GLU 10 H GLU 10 -11.145 -14.008 -1.890
41 HA GLU 10 HA GLU 10 -11.643 -11.529 -1.030
42 HB2 GLU 10 1HB GLU 10 -10.224 -13.382 0.068
43 HB3 GLU 10 2HB GLU 10 -8.852 -12.601 -0.704
44 HG2 GLU 10 1HG GLU 10 -9.762 -10.457 0.443
45 HG3 GLU 10 2HG GLU 10 -10.616 -11.597 1.481
46 H ARG 11 H ARG 11 -11.177 -9.478 -1.526
47 HA ARG 11 HA ARG 11 -9.264 -9.004 -3.703
48 HB2 ARG 11 1HB ARG 11 -11.707 -7.543 -2.752
49 HB3 ARG 11 2HB ARG 11 -10.490 -6.709 -3.708
50 HG2 ARG 11 1HG ARG 11 -11.603 -9.295 -4.687
51 HG3 ARG 11 2HG ARG 11 -12.546 -7.813 -4.860
52 HD2 ARG 11 1HD ARG 11 -10.461 -6.803 -5.917
53 HD3 ARG 11 2HD ARG 11 -9.839 -8.451 -6.002
54 HE ARG 11 HE ARG 11 -11.775 -7.270 -7.717
55 HH11 ARG 11 1HH1 ARG 11 -10.864 -10.271 -6.205
56 HH12 ARG 11 2HH1 ARG 11 -11.597 -11.259 -7.425
57 HH21 ARG 11 1HH2 ARG 11 -12.743 -8.561 -9.330
58 HH22 ARG 11 2HH2 ARG 11 -12.664 -10.285 -9.203
59 H HIS 12 H HIS 12 -7.773 -9.369 -1.665
60 HA HIS 12 HA HIS 12 -7.354 -6.815 -0.280
61 HB2 HIS 12 1HB HIS 12 -7.500 -9.220 0.846
62 HB3 HIS 12 2HB HIS 12 -5.791 -9.254 0.424
63 HD1 HIS 12 HD1 HIS 12 -7.963 -8.295 3.083
64 HD2 HIS 12 HD2 HIS 12 -4.440 -6.776 1.488
65 HE1 HIS 12 HE1 HIS 12 -7.001 -6.811 4.871
66 H TYR 13 H TYR 13 -5.870 -5.496 -1.078
67 HA TYR 13 HA TYR 13 -3.773 -6.581 -2.810
68 HB2 TYR 13 1HB TYR 13 -4.584 -3.703 -2.356
69 HB3 TYR 13 2HB TYR 13 -3.448 -4.284 -3.568
70 HD1 TYR 13 HD2 TYR 13 -6.981 -4.865 -2.486
71 HD2 TYR 13 HD1 TYR 13 -4.232 -4.564 -5.719
72 HE1 TYR 13 HE2 TYR 13 -8.834 -5.140 -4.080
73 HE2 TYR 13 HE1 TYR 13 -6.077 -4.838 -7.322
74 HH TYR 13 HH TYR 13 -8.269 -5.551 -7.502
75 H GLU 14 H GLU 14 -1.685 -6.614 -2.245
76 HA GLU 14 HA GLU 14 -0.965 -5.468 0.362
77 HB2 GLU 14 1HB GLU 14 -0.667 -8.001 -0.359
78 HB3 GLU 14 2HB GLU 14 0.813 -7.382 -1.078
79 HG2 GLU 14 1HG GLU 14 1.691 -6.743 0.989
80 HG3 GLU 14 2HG GLU 14 0.120 -6.835 1.783
81 H CYS 15 H CYS 15 1.183 -4.532 0.599
82 HA CYS 15 HA CYS 15 1.846 -2.887 -1.714
83 HB2 CYS 15 1HB CYS 15 1.535 -1.764 0.436
84 HB3 CYS 15 2HB CYS 15 2.802 -2.754 1.153
85 H SER 16 H SER 16 3.311 -3.630 -3.091
86 HA SER 16 HA SER 16 5.127 -5.717 -2.506
87 HB2 SER 16 1HB SER 16 6.123 -5.145 -4.729
88 HB3 SER 16 2HB SER 16 4.375 -5.372 -4.780
89 HG SER 16 HG SER 16 5.551 -2.822 -4.458
90 H GLU 17 H GLU 17 5.192 -2.489 -1.660
91 HA GLU 17 HA GLU 17 8.054 -2.117 -1.820
92 HB2 GLU 17 1HB GLU 17 6.092 -0.337 -1.903
93 HB3 GLU 17 2HB GLU 17 6.312 -0.354 -0.159
94 HG2 GLU 17 1HG GLU 17 7.640 1.406 -0.957
95 HG3 GLU 17 2HG GLU 17 8.757 0.094 -0.586
96 H CYS 18 H CYS 18 5.645 -2.595 0.744
97 HA CYS 18 HA CYS 18 7.850 -3.346 2.551
98 HB2 CYS 18 1HB CYS 18 6.444 -2.573 4.424
99 HB3 CYS 18 2HB CYS 18 6.803 -1.271 3.293
100 H GLY 19 H GLY 19 4.418 -3.889 1.795
101 HA2 GLY 19 1HA GLY 19 3.871 -6.300 1.405
102 HA3 GLY 19 2HA GLY 19 4.714 -6.608 2.916
103 H LYS 20 H LYS 20 2.897 -3.723 2.852
104 HA LYS 20 HA LYS 20 1.151 -4.659 4.907
105 HB2 LYS 20 1HB LYS 20 1.601 -2.094 3.472
106 HB3 LYS 20 2HB LYS 20 0.041 -2.312 4.253
107 HG2 LYS 20 1HG LYS 20 1.580 -3.048 6.281
108 HG3 LYS 20 2HG LYS 20 2.738 -2.012 5.443
109 HD2 LYS 20 1HD LYS 20 1.455 -0.114 5.744
110 HD3 LYS 20 2HD LYS 20 -0.042 -1.030 5.928
111 HE2 LYS 20 1HE LYS 20 0.368 -1.513 8.137
112 HE3 LYS 20 2HE LYS 20 2.116 -1.381 7.952
113 HZ1 LYS 20 3HZ LYS 20 1.963 0.661 8.760
114 HZ2 LYS 20 1HZ LYS 20 0.273 0.584 8.795
115 HZ3 LYS 20 2HZ LYS 20 1.066 1.124 7.402
116 H ALA 21 H ALA 21 -0.789 -5.571 4.733
117 HA ALA 21 HA ALA 21 -1.996 -5.794 2.080
118 HB1 ALA 21 3HB ALA 21 -2.994 -7.215 4.519
119 HB2 ALA 21 1HB ALA 21 -3.096 -7.698 2.825
120 HB3 ALA 21 2HB ALA 21 -1.551 -7.774 3.674
121 H PHE 22 H PHE 22 -3.830 -4.797 1.515
122 HA PHE 22 HA PHE 22 -5.425 -3.511 3.629
123 HB2 PHE 22 1HB PHE 22 -4.883 -2.333 0.898
124 HB3 PHE 22 2HB PHE 22 -5.761 -1.574 2.222
125 HD1 PHE 22 HD2 PHE 22 -2.451 -2.590 1.003
126 HD2 PHE 22 HD1 PHE 22 -4.612 -0.530 4.036
127 HE1 PHE 22 HE2 PHE 22 -0.355 -1.585 1.808
128 HE2 PHE 22 HE1 PHE 22 -2.519 0.480 4.846
129 HZ PHE 22 HZ PHE 22 -0.387 -0.048 3.732
130 H ALA 23 H ALA 23 -7.653 -3.412 3.305
131 HA ALA 23 HA ALA 23 -8.770 -5.549 1.805
132 HB1 ALA 23 3HB ALA 23 -9.592 -4.034 3.938
133 HB2 ALA 23 1HB ALA 23 -10.659 -3.489 2.643
134 HB3 ALA 23 2HB ALA 23 -10.584 -5.201 3.064
135 H ARG 24 H ARG 24 -8.551 -2.066 1.304
136 HA ARG 24 HA ARG 24 -9.852 -2.398 -1.315
137 HB2 ARG 24 1HB ARG 24 -9.356 0.254 0.006
138 HB3 ARG 24 2HB ARG 24 -10.540 -0.158 -1.226
139 HG2 ARG 24 1HG ARG 24 -11.925 -0.049 0.559
140 HG3 ARG 24 2HG ARG 24 -11.434 -1.738 0.712
141 HD2 ARG 24 1HD ARG 24 -9.477 -0.636 2.129
142 HD3 ARG 24 2HD ARG 24 -10.691 0.622 2.354
143 HE ARG 24 HE ARG 24 -11.951 -1.773 2.897
144 HH11 ARG 24 1HH1 ARG 24 -9.252 0.031 4.153
145 HH12 ARG 24 2HH1 ARG 24 -9.433 -0.571 5.767
146 HH21 ARG 24 1HH2 ARG 24 -12.200 -2.574 5.018
147 HH22 ARG 24 2HH2 ARG 24 -11.110 -2.054 6.258
148 H LYS 25 H LYS 25 -8.829 -1.768 -3.167
149 HA LYS 25 HA LYS 25 -6.016 -1.769 -3.212
150 HB2 LYS 25 1HB LYS 25 -7.016 -2.521 -5.181
151 HB3 LYS 25 2HB LYS 25 -8.140 -1.170 -5.242
152 HG2 LYS 25 1HG LYS 25 -6.623 0.234 -6.211
153 HG3 LYS 25 2HG LYS 25 -5.236 -0.599 -5.505
154 HD2 LYS 25 1HD LYS 25 -5.439 -2.402 -7.062
155 HD3 LYS 25 2HD LYS 25 -6.982 -1.786 -7.657
156 HE2 LYS 25 1HE LYS 25 -4.579 -0.033 -7.815
157 HE3 LYS 25 2HE LYS 25 -4.736 -1.357 -8.968
158 HZ1 LYS 25 3HZ LYS 25 -7.082 0.326 -8.596
159 HZ2 LYS 25 1HZ LYS 25 -6.459 -0.369 -10.007
160 HZ3 LYS 25 2HZ LYS 25 -5.766 1.041 -9.382
161 H SER 26 H SER 26 -8.350 0.873 -3.680
162 HA SER 26 HA SER 26 -6.618 2.946 -4.213
163 HB2 SER 26 1HB SER 26 -8.341 4.447 -3.397
164 HB3 SER 26 2HB SER 26 -9.107 3.101 -4.241
165 HG SER 26 HG SER 26 -9.338 2.140 -2.088
166 H THR 27 H THR 27 -7.699 1.811 -1.021
167 HA THR 27 HA THR 27 -6.425 3.622 0.606
168 HB THR 27 HB THR 27 -6.865 0.666 1.035
169 HG1 THR 27 HG1 THR 27 -8.583 2.506 0.920
170 HG21 THR 27 3HG2 THR 27 -5.630 0.748 2.885
171 HG22 THR 27 1HG2 THR 27 -6.639 2.058 3.497
172 HG23 THR 27 2HG2 THR 27 -5.204 2.424 2.539
173 H LEU 28 H LEU 28 -5.066 0.652 -0.788
174 HA LEU 28 HA LEU 28 -2.570 0.706 0.422
175 HB2 LEU 28 1HB LEU 28 -3.066 -1.226 -0.764
176 HB3 LEU 28 2HB LEU 28 -3.562 -0.334 -2.200
177 HG LEU 28 HG LEU 28 -1.171 0.243 -2.591
178 HD11 LEU 28 1HD1 LEU 28 -0.873 -1.376 -0.111
179 HD12 LEU 28 2HD1 LEU 28 -0.024 0.084 -0.617
180 HD13 LEU 28 3HD1 LEU 28 0.383 -1.469 -1.347
181 HD21 LEU 28 3HD2 LEU 28 -1.378 -1.465 -3.995
182 HD22 LEU 28 1HD2 LEU 28 -2.479 -2.300 -2.900
183 HD23 LEU 28 2HD2 LEU 28 -0.737 -2.516 -2.732
184 H ILE 29 H ILE 29 -3.530 2.133 -2.696
185 HA ILE 29 HA ILE 29 -1.133 3.225 -3.480
186 HB ILE 29 HB ILE 29 -3.947 4.217 -3.842
187 HG12 ILE 29 1HG1 ILE 29 -3.174 3.665 -6.286
188 HG13 ILE 29 2HG1 ILE 29 -1.921 2.730 -5.478
189 HG21 ILE 29 1HG2 ILE 29 -2.872 6.252 -3.996
190 HG22 ILE 29 2HG2 ILE 29 -1.387 5.540 -4.624
191 HG23 ILE 29 3HG2 ILE 29 -2.803 5.686 -5.664
192 HD11 ILE 29 3HD1 ILE 29 -3.932 1.428 -6.141
193 HD12 ILE 29 1HD1 ILE 29 -3.542 1.341 -4.424
194 HD13 ILE 29 2HD1 ILE 29 -4.862 2.371 -4.977
195 H MET 30 H MET 30 -3.575 4.711 -1.362
196 HA MET 30 HA MET 30 -2.254 7.139 -0.935
197 HB2 MET 30 1HB MET 30 -3.949 5.761 1.139
198 HB3 MET 30 2HB MET 30 -3.745 7.488 0.876
199 HG2 MET 30 1HG MET 30 -5.332 5.517 -0.718
200 HG3 MET 30 2HG MET 30 -5.859 7.021 0.034
201 HE1 MET 30 3HE MET 30 -6.267 5.635 -2.620
202 HE2 MET 30 1HE MET 30 -6.641 7.111 -3.512
203 HE3 MET 30 2HE MET 30 -5.266 6.115 -3.992
204 H HIS 31 H HIS 31 -1.835 3.993 0.534
205 HA HIS 31 HA HIS 31 -0.216 4.897 2.708
206 HB2 HIS 31 1HB HIS 31 -1.114 2.848 3.218
207 HB3 HIS 31 2HB HIS 31 -0.991 2.260 1.562
208 HD1 HIS 31 HD1 HIS 31 0.814 2.349 4.791
209 HD2 HIS 31 HD2 HIS 31 1.560 1.200 0.869
210 HE1 HIS 31 HE1 HIS 31 2.912 0.966 4.883
211 H GLN 32 H GLN 32 0.439 3.535 -0.491
212 HA GLN 32 HA GLN 32 3.171 3.165 -0.319
213 HB2 GLN 32 1HB GLN 32 1.515 4.090 -2.669
214 HB3 GLN 32 2HB GLN 32 3.195 3.585 -2.791
215 HG2 GLN 32 1HG GLN 32 2.581 1.367 -1.956
216 HG3 GLN 32 2HG GLN 32 0.896 1.877 -1.864
217 HE21 GLN 32 1HE2 GLN 32 0.722 -0.068 -3.276
218 HE22 GLN 32 2HE2 GLN 32 0.870 0.170 -4.980
219 H ARG 33 H ARG 33 1.384 6.107 -0.368
220 HA ARG 33 HA ARG 33 3.293 7.882 -1.384
221 HB2 ARG 33 1HB ARG 33 1.184 8.353 0.732
222 HB3 ARG 33 2HB ARG 33 2.071 9.619 -0.107
223 HG2 ARG 33 1HG ARG 33 1.048 9.093 -2.175
224 HG3 ARG 33 2HG ARG 33 0.378 7.590 -1.537
225 HD2 ARG 33 1HD ARG 33 -0.529 10.391 -1.166
226 HD3 ARG 33 2HD ARG 33 -1.471 8.919 -1.400
227 HE ARG 33 HE ARG 33 -1.457 8.569 0.880
228 HH11 ARG 33 1HH1 ARG 33 0.706 11.168 0.050
229 HH12 ARG 33 2HH1 ARG 33 0.925 11.683 1.690
230 HH21 ARG 33 1HH2 ARG 33 -1.177 9.238 3.043
231 HH22 ARG 33 2HH2 ARG 33 -0.146 10.585 3.391
232 H ILE 34 H ILE 34 3.100 6.240 1.653
233 HA ILE 34 HA ILE 34 4.732 7.960 3.191
234 HB ILE 34 HB ILE 34 4.848 6.253 4.800
235 HG12 ILE 34 1HG1 ILE 34 4.131 4.251 2.647
236 HG13 ILE 34 2HG1 ILE 34 5.755 4.514 3.273
237 HG21 ILE 34 1HG2 ILE 34 2.393 5.096 4.157
238 HG22 ILE 34 2HG2 ILE 34 2.670 6.539 5.132
239 HG23 ILE 34 3HG2 ILE 34 2.367 6.690 3.401
240 HD11 ILE 34 3HD1 ILE 34 4.284 2.564 4.171
241 HD12 ILE 34 1HD1 ILE 34 5.294 3.500 5.272
242 HD13 ILE 34 2HD1 ILE 34 3.564 3.830 5.166
243 H HIS 35 H HIS 35 5.436 5.370 0.940
244 HA HIS 35 HA HIS 35 8.211 5.174 1.627
245 HB2 HIS 35 1HB HIS 35 6.678 4.191 -0.788
246 HB3 HIS 35 2HB HIS 35 8.364 3.807 -0.455
247 HD1 HIS 35 HD1 HIS 35 8.600 2.713 2.155
248 HD2 HIS 35 HD2 HIS 35 5.048 2.223 0.057
249 HE1 HIS 35 HE1 HIS 35 7.450 0.752 3.229
250 H THR 36 H THR 36 6.480 6.480 -1.204
251 HA THR 36 HA THR 36 8.871 7.764 -2.186
252 HB THR 36 HB THR 36 7.246 6.867 -3.781
253 HG1 THR 36 HG1 THR 36 6.878 9.081 -4.865
254 HG21 THR 36 3HG2 THR 36 5.256 7.453 -2.282
255 HG22 THR 36 1HG2 THR 36 5.049 7.672 -4.019
256 HG23 THR 36 2HG2 THR 36 5.357 9.067 -2.985
257 H GLY 37 H GLY 37 9.596 9.553 -1.231
258 HA2 GLY 37 1HA GLY 37 7.680 11.414 -0.023
259 HA3 GLY 37 2HA GLY 37 9.414 11.391 0.260
260 H GLU 38 H GLU 38 10.727 11.839 -1.825
261 HA GLU 38 HA GLU 38 9.399 13.795 -3.543
262 HB2 GLU 38 1HB GLU 38 11.223 15.426 -3.209
263 HB3 GLU 38 2HB GLU 38 10.303 15.139 -1.738
264 HG2 GLU 38 1HG GLU 38 12.836 13.645 -2.279
265 HG3 GLU 38 2HG GLU 38 12.863 15.269 -1.596
266 H LYS 39 H LYS 39 10.516 14.233 -5.505
267 HA LYS 39 HA LYS 39 12.583 12.236 -6.163
268 HB2 LYS 39 1HB LYS 39 11.685 12.151 -8.427
269 HB3 LYS 39 2HB LYS 39 10.437 11.743 -7.257
270 HG2 LYS 39 1HG LYS 39 9.373 13.836 -7.517
271 HG3 LYS 39 2HG LYS 39 10.744 14.502 -8.407
272 HD2 LYS 39 1HD LYS 39 10.293 13.119 -10.293
273 HD3 LYS 39 2HD LYS 39 9.107 12.172 -9.392
274 HE2 LYS 39 1HE LYS 39 8.766 15.123 -9.825
275 HE3 LYS 39 2HE LYS 39 8.245 13.949 -11.033
276 HZ1 LYS 39 3HZ LYS 39 6.906 14.757 -8.710
277 HZ2 LYS 39 1HZ LYS 39 7.286 13.117 -8.544
278 HZ3 LYS 39 2HZ LYS 39 6.397 13.648 -9.881
279 HA PRO 40 HA PRO 40 15.234 15.508 -7.409
280 HB2 PRO 40 1HB PRO 40 16.641 14.297 -9.389
281 HB3 PRO 40 2HB PRO 40 16.867 13.914 -7.678
282 HG2 PRO 40 1HG PRO 40 15.280 12.452 -9.754
283 HG3 PRO 40 2HG PRO 40 16.355 11.801 -8.503
284 HD2 PRO 40 1HD PRO 40 13.660 11.817 -8.243
285 HD3 PRO 40 2HD PRO 40 14.754 11.982 -6.855
286 H SER 41 H SER 41 15.462 17.125 -8.934
287 HA SER 41 HA SER 41 13.438 17.921 -10.503
288 HB2 SER 41 1HB SER 41 15.734 19.052 -10.043
289 HB3 SER 41 2HB SER 41 16.230 18.294 -11.556
290 HG SER 41 HG SER 41 15.432 20.325 -12.019
291 H GLY 42 H GLY 42 16.176 15.988 -11.728
292 HA2 GLY 42 1HA GLY 42 14.533 14.392 -13.397
293 HA3 GLY 42 2HA GLY 42 15.283 15.669 -14.343
294 HA PRO 43 HA PRO 43 18.827 13.138 -14.856
295 HB2 PRO 43 1HB PRO 43 20.740 15.034 -15.199
296 HB3 PRO 43 2HB PRO 43 19.525 14.661 -16.428
297 HG2 PRO 43 1HG PRO 43 19.578 16.892 -14.433
298 HG3 PRO 43 2HG PRO 43 19.135 16.937 -16.149
299 HD2 PRO 43 1HD PRO 43 17.289 16.874 -14.169
300 HD3 PRO 43 2HD PRO 43 17.017 16.119 -15.753
301 H SER 44 H SER 44 20.079 12.067 -13.463
302 HA SER 44 HA SER 44 21.727 13.375 -11.530
303 HB2 SER 44 1HB SER 44 19.608 13.522 -10.320
304 HB3 SER 44 2HB SER 44 19.348 11.790 -10.528
305 HG SER 44 HG SER 44 21.144 11.405 -9.227
306 H SER 45 H SER 45 23.238 11.980 -10.577
307 HA SER 45 HA SER 45 23.776 9.612 -12.093
308 HB2 SER 45 1HB SER 45 25.462 11.283 -11.032
309 HB3 SER 45 2HB SER 45 25.222 10.342 -9.560
310 HG SER 45 HG SER 45 25.748 8.937 -11.907
311 H GLY 46 H GLY 46 23.713 7.480 -11.449
312 HA2 GLY 46 1HA GLY 46 23.383 6.406 -8.953
313 HA3 GLY 46 2HA GLY 46 21.754 6.831 -9.457
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -17.839 -36.838 -13.294
2 HA2 GLY 1 1HA GLY 1 -18.922 -36.337 -10.778
3 HA3 GLY 1 2HA GLY 1 -17.202 -36.417 -11.130
4 H SER 2 H SER 2 -19.766 -34.118 -12.046
5 HA SER 2 HA SER 2 -18.199 -31.841 -12.002
6 HB2 SER 2 1HB SER 2 -20.336 -30.587 -11.702
7 HB3 SER 2 2HB SER 2 -20.425 -31.816 -12.963
8 HG SER 2 HG SER 2 -21.145 -32.611 -10.402
9 H SER 3 H SER 3 -17.560 -30.387 -10.484
10 HA SER 3 HA SER 3 -18.562 -30.495 -7.778
11 HB2 SER 3 1HB SER 3 -16.536 -31.105 -6.686
12 HB3 SER 3 2HB SER 3 -16.784 -32.310 -7.949
13 HG SER 3 HG SER 3 -15.409 -30.621 -9.193
14 H GLY 4 H GLY 4 -18.354 -28.570 -6.755
15 HA2 GLY 4 1HA GLY 4 -16.626 -26.548 -8.042
16 HA3 GLY 4 2HA GLY 4 -18.267 -26.178 -7.535
17 H SER 5 H SER 5 -17.637 -24.547 -6.127
18 HA SER 5 HA SER 5 -17.035 -25.359 -3.484
19 HB2 SER 5 1HB SER 5 -14.751 -25.413 -4.729
20 HB3 SER 5 2HB SER 5 -14.847 -23.654 -4.642
21 HG SER 5 HG SER 5 -13.792 -24.302 -2.822
22 H SER 6 H SER 6 -16.989 -23.550 -1.976
23 HA SER 6 HA SER 6 -18.152 -21.096 -3.122
24 HB2 SER 6 1HB SER 6 -19.494 -20.918 -1.012
25 HB3 SER 6 2HB SER 6 -19.922 -22.306 -2.012
26 HG SER 6 HG SER 6 -18.841 -23.639 -0.616
27 H GLY 7 H GLY 7 -16.066 -20.134 -3.124
28 HA2 GLY 7 1HA GLY 7 -14.786 -19.753 -0.517
29 HA3 GLY 7 2HA GLY 7 -14.086 -19.360 -2.080
30 H THR 8 H THR 8 -13.528 -17.349 -0.901
31 HA THR 8 HA THR 8 -15.689 -15.389 -1.236
32 HB THR 8 HB THR 8 -13.809 -15.471 1.132
33 HG1 THR 8 HG1 THR 8 -16.436 -16.297 0.708
34 HG21 THR 8 3HG2 THR 8 -14.902 -13.243 -0.053
35 HG22 THR 8 1HG2 THR 8 -14.381 -13.360 1.628
36 HG23 THR 8 2HG2 THR 8 -16.073 -13.628 1.208
37 H GLY 9 H GLY 9 -15.091 -13.513 -2.194
38 HA2 GLY 9 1HA GLY 9 -12.896 -13.264 -3.776
39 HA3 GLY 9 2HA GLY 9 -13.731 -11.878 -3.091
40 H GLU 10 H GLU 10 -13.070 -11.288 -0.828
41 HA GLU 10 HA GLU 10 -11.445 -10.504 0.560
42 HB2 GLU 10 1HB GLU 10 -10.252 -13.217 -0.033
43 HB3 GLU 10 2HB GLU 10 -9.708 -12.143 1.248
44 HG2 GLU 10 1HG GLU 10 -12.020 -12.251 2.198
45 HG3 GLU 10 2HG GLU 10 -12.377 -13.504 1.012
46 H ARG 11 H ARG 11 -11.233 -9.591 -2.043
47 HA ARG 11 HA ARG 11 -8.674 -9.901 -3.186
48 HB2 ARG 11 1HB ARG 11 -10.887 -8.856 -4.140
49 HB3 ARG 11 2HB ARG 11 -10.227 -7.361 -3.490
50 HG2 ARG 11 1HG ARG 11 -9.590 -7.459 -5.761
51 HG3 ARG 11 2HG ARG 11 -8.145 -7.825 -4.817
52 HD2 ARG 11 1HD ARG 11 -9.873 -10.074 -5.726
53 HD3 ARG 11 2HD ARG 11 -8.825 -9.283 -6.904
54 HE ARG 11 HE ARG 11 -8.028 -11.077 -4.840
55 HH11 ARG 11 1HH1 ARG 11 -7.011 -8.296 -6.672
56 HH12 ARG 11 2HH1 ARG 11 -5.321 -8.629 -6.485
57 HH21 ARG 11 1HH2 ARG 11 -5.806 -11.525 -4.587
58 HH22 ARG 11 2HH2 ARG 11 -4.636 -10.466 -5.300
59 H HIS 12 H HIS 12 -7.332 -9.756 -1.264
60 HA HIS 12 HA HIS 12 -7.021 -7.097 -0.106
61 HB2 HIS 12 1HB HIS 12 -5.682 -8.118 1.572
62 HB3 HIS 12 2HB HIS 12 -7.034 -9.212 1.295
63 HD1 HIS 12 HD1 HIS 12 -6.494 -11.416 -0.063
64 HD2 HIS 12 HD2 HIS 12 -3.188 -9.180 1.090
65 HE1 HIS 12 HE1 HIS 12 -4.519 -12.948 -0.335
66 H TYR 13 H TYR 13 -5.758 -5.705 -1.139
67 HA TYR 13 HA TYR 13 -3.622 -6.652 -2.867
68 HB2 TYR 13 1HB TYR 13 -4.637 -3.854 -2.328
69 HB3 TYR 13 2HB TYR 13 -3.419 -4.276 -3.526
70 HD1 TYR 13 HD2 TYR 13 -6.909 -5.217 -2.568
71 HD2 TYR 13 HD1 TYR 13 -4.111 -4.572 -5.708
72 HE1 TYR 13 HE2 TYR 13 -8.684 -5.613 -4.224
73 HE2 TYR 13 HE1 TYR 13 -5.878 -4.965 -7.372
74 HH TYR 13 HH TYR 13 -8.120 -5.151 -7.668
75 H GLU 14 H GLU 14 -1.582 -6.820 -2.236
76 HA GLU 14 HA GLU 14 -0.778 -5.637 0.310
77 HB2 GLU 14 1HB GLU 14 -0.372 -8.111 -0.524
78 HB3 GLU 14 2HB GLU 14 1.026 -7.386 -1.305
79 HG2 GLU 14 1HG GLU 14 2.071 -6.923 0.674
80 HG3 GLU 14 2HG GLU 14 0.560 -6.825 1.576
81 H CYS 15 H CYS 15 1.332 -4.599 0.500
82 HA CYS 15 HA CYS 15 1.793 -2.805 -1.750
83 HB2 CYS 15 1HB CYS 15 1.520 -1.862 0.517
84 HB3 CYS 15 2HB CYS 15 2.943 -2.751 1.048
85 H SER 16 H SER 16 3.283 -3.288 -3.208
86 HA SER 16 HA SER 16 5.179 -5.356 -2.900
87 HB2 SER 16 1HB SER 16 4.447 -4.821 -5.111
88 HB3 SER 16 2HB SER 16 4.924 -3.133 -4.931
89 HG SER 16 HG SER 16 6.852 -3.663 -5.546
90 H GLU 17 H GLU 17 5.154 -2.282 -1.625
91 HA GLU 17 HA GLU 17 8.017 -1.832 -1.754
92 HB2 GLU 17 1HB GLU 17 6.045 -0.071 -1.708
93 HB3 GLU 17 2HB GLU 17 6.218 -0.253 0.032
94 HG2 GLU 17 1HG GLU 17 7.499 1.637 -1.012
95 HG3 GLU 17 2HG GLU 17 8.435 0.538 -0.000
96 H CYS 18 H CYS 18 5.618 -2.268 0.850
97 HA CYS 18 HA CYS 18 7.796 -3.246 2.573
98 HB2 CYS 18 1HB CYS 18 6.316 -2.669 4.474
99 HB3 CYS 18 2HB CYS 18 6.708 -1.272 3.477
100 H GLY 19 H GLY 19 4.407 -3.818 1.674
101 HA2 GLY 19 1HA GLY 19 3.874 -6.171 1.104
102 HA3 GLY 19 2HA GLY 19 4.766 -6.619 2.550
103 H LYS 20 H LYS 20 2.812 -3.794 2.717
104 HA LYS 20 HA LYS 20 1.166 -4.979 4.748
105 HB2 LYS 20 1HB LYS 20 1.975 -2.602 4.781
106 HB3 LYS 20 2HB LYS 20 0.870 -2.264 3.455
107 HG2 LYS 20 1HG LYS 20 -1.001 -2.471 4.781
108 HG3 LYS 20 2HG LYS 20 -0.175 -3.478 5.972
109 HD2 LYS 20 1HD LYS 20 1.270 -1.318 6.333
110 HD3 LYS 20 2HD LYS 20 -0.134 -0.513 5.629
111 HE2 LYS 20 1HE LYS 20 -0.577 -2.491 7.808
112 HE3 LYS 20 2HE LYS 20 0.077 -0.910 8.233
113 HZ1 LYS 20 3HZ LYS 20 -2.032 -0.440 6.508
114 HZ2 LYS 20 1HZ LYS 20 -1.985 -0.144 8.173
115 HZ3 LYS 20 2HZ LYS 20 -2.585 -1.615 7.593
116 H ALA 21 H ALA 21 -0.757 -5.913 4.513
117 HA ALA 21 HA ALA 21 -1.985 -5.965 1.875
118 HB1 ALA 21 3HB ALA 21 -2.152 -7.627 4.320
119 HB2 ALA 21 1HB ALA 21 -3.582 -7.561 3.289
120 HB3 ALA 21 2HB ALA 21 -2.040 -8.106 2.627
121 H PHE 22 H PHE 22 -3.815 -4.941 1.327
122 HA PHE 22 HA PHE 22 -5.306 -3.561 3.462
123 HB2 PHE 22 1HB PHE 22 -4.752 -2.627 0.639
124 HB3 PHE 22 2HB PHE 22 -5.833 -1.812 1.764
125 HD1 PHE 22 HD2 PHE 22 -2.346 -2.597 0.973
126 HD2 PHE 22 HD1 PHE 22 -4.975 -0.533 3.609
127 HE1 PHE 22 HE2 PHE 22 -0.441 -1.325 1.872
128 HE2 PHE 22 HE1 PHE 22 -3.074 0.743 4.511
129 HZ PHE 22 HZ PHE 22 -0.803 0.346 3.643
130 H ALA 23 H ALA 23 -7.577 -2.943 2.703
131 HA ALA 23 HA ALA 23 -8.842 -5.361 1.710
132 HB1 ALA 23 3HB ALA 23 -10.752 -4.665 2.751
133 HB2 ALA 23 1HB ALA 23 -9.553 -3.816 3.727
134 HB3 ALA 23 2HB ALA 23 -10.424 -2.958 2.456
135 H ARG 24 H ARG 24 -8.735 -1.908 0.878
136 HA ARG 24 HA ARG 24 -10.032 -2.513 -1.682
137 HB2 ARG 24 1HB ARG 24 -9.362 0.280 -0.909
138 HB3 ARG 24 2HB ARG 24 -10.772 -0.345 -1.754
139 HG2 ARG 24 1HG ARG 24 -11.728 -1.135 0.295
140 HG3 ARG 24 2HG ARG 24 -10.261 -0.727 1.186
141 HD2 ARG 24 1HD ARG 24 -11.490 1.122 1.676
142 HD3 ARG 24 2HD ARG 24 -10.771 1.669 0.162
143 HE ARG 24 HE ARG 24 -13.287 0.325 -0.178
144 HH11 ARG 24 1HH1 ARG 24 -11.739 3.370 0.493
145 HH12 ARG 24 2HH1 ARG 24 -13.072 4.321 -0.072
146 HH21 ARG 24 1HH2 ARG 24 -15.049 1.566 -0.925
147 HH22 ARG 24 2HH2 ARG 24 -14.955 3.294 -0.877
148 H LYS 25 H LYS 25 -9.181 -1.060 -3.536
149 HA LYS 25 HA LYS 25 -6.378 -1.697 -3.857
150 HB2 LYS 25 1HB LYS 25 -7.757 -2.157 -5.744
151 HB3 LYS 25 2HB LYS 25 -8.467 -0.549 -5.704
152 HG2 LYS 25 1HG LYS 25 -6.999 -0.390 -7.468
153 HG3 LYS 25 2HG LYS 25 -6.041 0.258 -6.134
154 HD2 LYS 25 1HD LYS 25 -5.903 -2.663 -6.709
155 HD3 LYS 25 2HD LYS 25 -5.049 -1.548 -7.778
156 HE2 LYS 25 1HE LYS 25 -4.184 -0.552 -5.502
157 HE3 LYS 25 2HE LYS 25 -4.587 -2.158 -4.897
158 HZ1 LYS 25 3HZ LYS 25 -3.108 -2.218 -7.355
159 HZ2 LYS 25 1HZ LYS 25 -2.829 -3.045 -5.906
160 HZ3 LYS 25 2HZ LYS 25 -2.260 -1.465 -6.101
161 H SER 26 H SER 26 -8.355 1.257 -4.147
162 HA SER 26 HA SER 26 -6.245 3.050 -4.490
163 HB2 SER 26 1HB SER 26 -9.029 3.377 -3.386
164 HB3 SER 26 2HB SER 26 -7.917 4.741 -3.501
165 HG SER 26 HG SER 26 -8.529 4.867 -5.497
166 H THR 27 H THR 27 -7.690 1.735 -1.566
167 HA THR 27 HA THR 27 -6.633 3.397 0.364
168 HB THR 27 HB THR 27 -7.128 0.423 0.441
169 HG1 THR 27 HG1 THR 27 -9.076 1.034 1.018
170 HG21 THR 27 3HG2 THR 27 -5.506 0.733 2.130
171 HG22 THR 27 1HG2 THR 27 -7.060 0.769 2.963
172 HG23 THR 27 2HG2 THR 27 -6.204 2.274 2.627
173 H LEU 28 H LEU 28 -5.094 0.651 -1.255
174 HA LEU 28 HA LEU 28 -2.732 0.608 0.266
175 HB2 LEU 28 1HB LEU 28 -3.162 -1.275 -1.055
176 HB3 LEU 28 2HB LEU 28 -3.424 -0.306 -2.504
177 HG LEU 28 HG LEU 28 -1.037 0.152 -2.649
178 HD11 LEU 28 1HD1 LEU 28 -0.725 -0.015 -0.122
179 HD12 LEU 28 2HD1 LEU 28 0.558 -0.662 -1.144
180 HD13 LEU 28 3HD1 LEU 28 -0.593 -1.756 -0.376
181 HD21 LEU 28 3HD2 LEU 28 -2.287 -2.206 -3.237
182 HD22 LEU 28 1HD2 LEU 28 -0.898 -2.746 -2.295
183 HD23 LEU 28 2HD2 LEU 28 -0.655 -1.765 -3.740
184 H ILE 29 H ILE 29 -3.535 2.282 -2.757
185 HA ILE 29 HA ILE 29 -1.071 3.369 -3.369
186 HB ILE 29 HB ILE 29 -3.853 4.421 -3.793
187 HG12 ILE 29 1HG1 ILE 29 -3.123 3.991 -6.207
188 HG13 ILE 29 2HG1 ILE 29 -1.732 3.156 -5.524
189 HG21 ILE 29 1HG2 ILE 29 -2.599 5.994 -5.454
190 HG22 ILE 29 2HG2 ILE 29 -2.765 6.449 -3.758
191 HG23 ILE 29 3HG2 ILE 29 -1.248 5.766 -4.343
192 HD11 ILE 29 3HD1 ILE 29 -4.004 1.928 -6.189
193 HD12 ILE 29 1HD1 ILE 29 -2.950 1.371 -4.891
194 HD13 ILE 29 2HD1 ILE 29 -4.377 2.336 -4.515
195 H MET 30 H MET 30 -3.643 4.883 -1.413
196 HA MET 30 HA MET 30 -2.390 7.222 -0.720
197 HB2 MET 30 1HB MET 30 -3.997 5.613 1.258
198 HB3 MET 30 2HB MET 30 -3.865 7.362 1.139
199 HG2 MET 30 1HG MET 30 -5.343 5.483 -0.670
200 HG3 MET 30 2HG MET 30 -5.986 6.804 0.303
201 HE1 MET 30 3HE MET 30 -6.277 5.781 -2.540
202 HE2 MET 30 1HE MET 30 -6.762 7.317 -3.260
203 HE3 MET 30 2HE MET 30 -5.288 6.515 -3.803
204 H HIS 31 H HIS 31 -2.047 4.054 0.831
205 HA HIS 31 HA HIS 31 -0.339 4.903 2.913
206 HB2 HIS 31 1HB HIS 31 -1.207 2.830 3.380
207 HB3 HIS 31 2HB HIS 31 -1.096 2.287 1.708
208 HD1 HIS 31 HD1 HIS 31 0.807 2.410 4.901
209 HD2 HIS 31 HD2 HIS 31 1.397 1.180 0.976
210 HE1 HIS 31 HE1 HIS 31 2.907 1.026 4.938
211 H GLN 32 H GLN 32 0.377 3.337 -0.206
212 HA GLN 32 HA GLN 32 3.047 3.036 -0.154
213 HB2 GLN 32 1HB GLN 32 1.426 4.227 -2.407
214 HB3 GLN 32 2HB GLN 32 3.081 3.659 -2.580
215 HG2 GLN 32 1HG GLN 32 2.384 1.409 -1.961
216 HG3 GLN 32 2HG GLN 32 0.726 1.972 -1.765
217 HE21 GLN 32 1HE2 GLN 32 0.950 -0.037 -3.401
218 HE22 GLN 32 2HE2 GLN 32 0.853 0.439 -5.059
219 H ARG 33 H ARG 33 1.360 6.062 -0.065
220 HA ARG 33 HA ARG 33 3.239 7.873 -0.927
221 HB2 ARG 33 1HB ARG 33 1.373 8.122 1.440
222 HB3 ARG 33 2HB ARG 33 2.227 9.465 0.692
223 HG2 ARG 33 1HG ARG 33 0.983 9.285 -1.298
224 HG3 ARG 33 2HG ARG 33 0.352 7.699 -0.848
225 HD2 ARG 33 1HD ARG 33 -1.453 9.011 -0.342
226 HD3 ARG 33 2HD ARG 33 -0.610 9.031 1.206
227 HE ARG 33 HE ARG 33 -0.215 11.268 0.922
228 HH11 ARG 33 1HH1 ARG 33 -1.181 9.883 -2.122
229 HH12 ARG 33 2HH1 ARG 33 -1.308 11.412 -2.927
230 HH21 ARG 33 1HH2 ARG 33 -0.379 13.288 -0.126
231 HH22 ARG 33 2HH2 ARG 33 -0.851 13.348 -1.790
232 H ILE 34 H ILE 34 2.988 6.383 2.284
233 HA ILE 34 HA ILE 34 4.962 7.728 3.637
234 HB ILE 34 HB ILE 34 5.151 5.882 5.106
235 HG12 ILE 34 1HG1 ILE 34 3.981 4.140 2.926
236 HG13 ILE 34 2HG1 ILE 34 5.684 4.191 3.369
237 HG21 ILE 34 1HG2 ILE 34 2.384 5.477 4.040
238 HG22 ILE 34 2HG2 ILE 34 2.937 5.533 5.712
239 HG23 ILE 34 3HG2 ILE 34 2.858 7.015 4.760
240 HD11 ILE 34 3HD1 ILE 34 4.755 2.284 4.400
241 HD12 ILE 34 1HD1 ILE 34 4.992 3.480 5.674
242 HD13 ILE 34 2HD1 ILE 34 3.380 3.199 5.016
243 H HIS 35 H HIS 35 5.308 5.318 1.135
244 HA HIS 35 HA HIS 35 8.153 5.008 1.568
245 HB2 HIS 35 1HB HIS 35 6.382 3.991 -0.664
246 HB3 HIS 35 2HB HIS 35 8.064 3.536 -0.408
247 HD1 HIS 35 HD1 HIS 35 8.356 2.599 2.288
248 HD2 HIS 35 HD2 HIS 35 4.750 2.079 0.292
249 HE1 HIS 35 HE1 HIS 35 7.185 0.727 3.491
250 H THR 36 H THR 36 7.254 7.679 1.049
251 HA THR 36 HA THR 36 9.163 8.476 -0.864
252 HB THR 36 HB THR 36 7.591 7.687 -2.529
253 HG1 THR 36 HG1 THR 36 7.175 10.467 -2.593
254 HG21 THR 36 3HG2 THR 36 5.348 8.890 -2.689
255 HG22 THR 36 1HG2 THR 36 5.618 9.386 -1.019
256 HG23 THR 36 2HG2 THR 36 5.507 7.673 -1.423
257 H GLY 37 H GLY 37 9.688 10.579 -0.565
258 HA2 GLY 37 1HA GLY 37 9.204 12.861 -0.101
259 HA3 GLY 37 2HA GLY 37 7.733 12.353 0.716
260 H GLU 38 H GLU 38 8.284 10.787 2.654
261 HA GLU 38 HA GLU 38 9.853 12.366 4.468
262 HB2 GLU 38 1HB GLU 38 7.724 11.226 5.106
263 HB3 GLU 38 2HB GLU 38 8.550 9.682 4.948
264 HG2 GLU 38 1HG GLU 38 10.124 10.366 6.707
265 HG3 GLU 38 2HG GLU 38 9.235 11.878 6.889
266 H LYS 39 H LYS 39 11.591 11.541 5.784
267 HA LYS 39 HA LYS 39 13.279 9.648 4.298
268 HB2 LYS 39 1HB LYS 39 15.133 10.678 5.707
269 HB3 LYS 39 2HB LYS 39 14.405 11.715 4.488
270 HG2 LYS 39 1HG LYS 39 13.273 11.801 7.228
271 HG3 LYS 39 2HG LYS 39 14.851 12.544 6.957
272 HD2 LYS 39 1HD LYS 39 12.503 13.141 5.182
273 HD3 LYS 39 2HD LYS 39 12.769 14.018 6.690
274 HE2 LYS 39 1HE LYS 39 14.825 13.774 4.501
275 HE3 LYS 39 2HE LYS 39 13.701 15.124 4.644
276 HZ1 LYS 39 3HZ LYS 39 14.757 15.931 6.478
277 HZ2 LYS 39 1HZ LYS 39 16.081 15.227 5.695
278 HZ3 LYS 39 2HZ LYS 39 15.328 14.419 6.976
279 HA PRO 40 HA PRO 40 12.079 7.149 7.938
280 HB2 PRO 40 1HB PRO 40 12.333 4.775 6.646
281 HB3 PRO 40 2HB PRO 40 10.873 5.768 6.554
282 HG2 PRO 40 1HG PRO 40 13.132 5.535 4.603
283 HG3 PRO 40 2HG PRO 40 11.387 5.591 4.293
284 HD2 PRO 40 1HD PRO 40 12.991 7.751 3.988
285 HD3 PRO 40 2HD PRO 40 11.296 7.884 4.501
286 H SER 41 H SER 41 14.854 7.204 5.866
287 HA SER 41 HA SER 41 16.396 5.624 7.809
288 HB2 SER 41 1HB SER 41 17.982 5.186 6.080
289 HB3 SER 41 2HB SER 41 16.390 4.947 5.360
290 HG SER 41 HG SER 41 16.563 7.003 4.428
291 H GLY 42 H GLY 42 15.647 8.317 8.375
292 HA2 GLY 42 1HA GLY 42 17.291 10.377 7.815
293 HA3 GLY 42 2HA GLY 42 16.719 10.069 9.448
294 HA PRO 43 HA PRO 43 21.440 9.302 8.799
295 HB2 PRO 43 1HB PRO 43 22.459 11.797 9.128
296 HB3 PRO 43 2HB PRO 43 22.052 11.127 7.544
297 HG2 PRO 43 1HG PRO 43 20.480 13.004 9.267
298 HG3 PRO 43 2HG PRO 43 20.750 13.054 7.515
299 HD2 PRO 43 1HD PRO 43 18.461 12.110 8.610
300 HD3 PRO 43 2HD PRO 43 19.127 11.473 7.093
301 H SER 44 H SER 44 21.230 8.277 10.803
302 HA SER 44 HA SER 44 21.738 10.017 13.122
303 HB2 SER 44 1HB SER 44 19.369 9.035 13.005
304 HB3 SER 44 2HB SER 44 20.127 7.474 13.321
305 HG SER 44 HG SER 44 19.684 9.595 15.014
306 H SER 45 H SER 45 23.964 9.590 12.908
307 HA SER 45 HA SER 45 25.192 7.131 12.626
308 HB2 SER 45 1HB SER 45 27.180 8.160 13.352
309 HB3 SER 45 2HB SER 45 26.232 9.494 12.695
310 HG SER 45 HG SER 45 26.670 10.326 14.592
311 H GLY 46 H GLY 46 25.773 5.481 13.968
312 HA2 GLY 46 1HA GLY 46 24.361 5.351 16.513
313 HA3 GLY 46 2HA GLY 46 25.165 4.018 15.697
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -3.437 -27.966 -2.053
2 HA2 GLY 1 1HA GLY 1 -3.038 -30.204 -0.418
3 HA3 GLY 1 2HA GLY 1 -1.912 -29.630 -1.639
4 H SER 2 H SER 2 0.034 -29.101 -0.925
5 HA SER 2 HA SER 2 0.872 -29.252 1.689
6 HB2 SER 2 1HB SER 2 2.039 -27.629 -0.581
7 HB3 SER 2 2HB SER 2 2.867 -27.921 0.948
8 HG SER 2 HG SER 2 3.572 -29.550 -0.271
9 H SER 3 H SER 3 0.356 -26.214 -0.113
10 HA SER 3 HA SER 3 0.659 -24.500 2.073
11 HB2 SER 3 1HB SER 3 -0.532 -22.826 0.680
12 HB3 SER 3 2HB SER 3 0.722 -23.678 -0.222
13 HG SER 3 HG SER 3 -1.292 -25.134 -0.675
14 H GLY 4 H GLY 4 -0.869 -23.371 3.348
15 HA2 GLY 4 1HA GLY 4 -3.445 -24.795 3.625
16 HA3 GLY 4 2HA GLY 4 -2.540 -24.153 4.988
17 H SER 5 H SER 5 -4.012 -23.072 1.930
18 HA SER 5 HA SER 5 -4.853 -21.006 1.353
19 HB2 SER 5 1HB SER 5 -6.303 -21.702 3.912
20 HB3 SER 5 2HB SER 5 -6.793 -20.384 2.849
21 HG SER 5 HG SER 5 -6.554 -23.108 2.083
22 H SER 6 H SER 6 -2.385 -20.647 2.558
23 HA SER 6 HA SER 6 -2.514 -18.733 4.678
24 HB2 SER 6 1HB SER 6 -0.532 -20.113 4.431
25 HB3 SER 6 2HB SER 6 -0.258 -19.487 2.805
26 HG SER 6 HG SER 6 -0.156 -18.015 5.230
27 H GLY 7 H GLY 7 -3.960 -17.145 3.883
28 HA2 GLY 7 1HA GLY 7 -4.434 -15.097 2.961
29 HA3 GLY 7 2HA GLY 7 -2.712 -14.937 2.646
30 H THR 8 H THR 8 -5.607 -16.589 1.403
31 HA THR 8 HA THR 8 -4.524 -16.214 -1.314
32 HB THR 8 HB THR 8 -6.396 -18.398 -0.379
33 HG1 THR 8 HG1 THR 8 -4.582 -19.339 0.155
34 HG21 THR 8 3HG2 THR 8 -5.177 -17.758 -3.058
35 HG22 THR 8 1HG2 THR 8 -6.884 -17.932 -2.654
36 HG23 THR 8 2HG2 THR 8 -5.831 -19.347 -2.660
37 H GLY 9 H GLY 9 -5.518 -14.176 -1.555
38 HA2 GLY 9 1HA GLY 9 -8.173 -14.280 -2.581
39 HA3 GLY 9 2HA GLY 9 -8.142 -13.496 -1.009
40 H GLU 10 H GLU 10 -8.542 -12.634 -3.952
41 HA GLU 10 HA GLU 10 -6.430 -10.721 -4.367
42 HB2 GLU 10 1HB GLU 10 -7.543 -10.139 -6.373
43 HB3 GLU 10 2HB GLU 10 -7.743 -11.877 -6.201
44 HG2 GLU 10 1HG GLU 10 -9.870 -10.133 -5.102
45 HG3 GLU 10 2HG GLU 10 -9.746 -10.280 -6.854
46 H ARG 11 H ARG 11 -9.458 -10.788 -2.741
47 HA ARG 11 HA ARG 11 -10.327 -8.175 -2.844
48 HB2 ARG 11 1HB ARG 11 -10.324 -9.923 -0.378
49 HB3 ARG 11 2HB ARG 11 -11.395 -8.566 -0.700
50 HG2 ARG 11 1HG ARG 11 -11.356 -10.817 -2.637
51 HG3 ARG 11 2HG ARG 11 -12.161 -11.053 -1.085
52 HD2 ARG 11 1HD ARG 11 -12.723 -8.681 -2.843
53 HD3 ARG 11 2HD ARG 11 -13.586 -10.208 -3.021
54 HE ARG 11 HE ARG 11 -13.634 -9.262 -0.332
55 HH11 ARG 11 1HH1 ARG 11 -15.096 -8.870 -3.467
56 HH12 ARG 11 2HH1 ARG 11 -16.599 -8.283 -2.836
57 HH21 ARG 11 1HH2 ARG 11 -15.608 -8.490 0.510
58 HH22 ARG 11 2HH2 ARG 11 -16.889 -8.066 -0.574
59 H HIS 12 H HIS 12 -7.996 -9.569 -0.539
60 HA HIS 12 HA HIS 12 -7.369 -6.961 0.538
61 HB2 HIS 12 1HB HIS 12 -6.112 -8.074 2.161
62 HB3 HIS 12 2HB HIS 12 -7.396 -9.225 1.803
63 HD1 HIS 12 HD1 HIS 12 -6.731 -11.393 0.557
64 HD2 HIS 12 HD2 HIS 12 -3.541 -8.868 1.403
65 HE1 HIS 12 HE1 HIS 12 -4.662 -12.765 0.153
66 H TYR 13 H TYR 13 -6.065 -5.612 -0.495
67 HA TYR 13 HA TYR 13 -4.091 -6.646 -2.376
68 HB2 TYR 13 1HB TYR 13 -4.969 -3.810 -1.795
69 HB3 TYR 13 2HB TYR 13 -3.835 -4.282 -3.055
70 HD1 TYR 13 HD2 TYR 13 -7.293 -5.130 -1.906
71 HD2 TYR 13 HD1 TYR 13 -4.664 -4.510 -5.194
72 HE1 TYR 13 HE2 TYR 13 -9.169 -5.460 -3.461
73 HE2 TYR 13 HE1 TYR 13 -6.534 -4.837 -6.758
74 HH TYR 13 HH TYR 13 -9.746 -4.789 -5.817
75 H GLU 14 H GLU 14 -2.030 -6.893 -1.850
76 HA GLU 14 HA GLU 14 -1.047 -5.713 0.637
77 HB2 GLU 14 1HB GLU 14 -0.806 -8.222 -0.174
78 HB3 GLU 14 2HB GLU 14 0.596 -7.578 -1.015
79 HG2 GLU 14 1HG GLU 14 1.723 -7.112 0.927
80 HG3 GLU 14 2HG GLU 14 0.246 -6.980 1.880
81 H CYS 15 H CYS 15 1.118 -4.780 0.701
82 HA CYS 15 HA CYS 15 1.566 -3.079 -1.628
83 HB2 CYS 15 1HB CYS 15 1.404 -2.031 0.601
84 HB3 CYS 15 2HB CYS 15 2.797 -2.966 1.134
85 H SER 16 H SER 16 3.015 -3.635 -3.099
86 HA SER 16 HA SER 16 4.842 -5.775 -2.746
87 HB2 SER 16 1HB SER 16 3.868 -5.114 -4.943
88 HB3 SER 16 2HB SER 16 4.854 -3.653 -4.906
89 HG SER 16 HG SER 16 6.703 -4.997 -4.872
90 H GLU 17 H GLU 17 4.951 -2.690 -1.578
91 HA GLU 17 HA GLU 17 7.823 -2.321 -1.873
92 HB2 GLU 17 1HB GLU 17 5.938 -0.484 -1.900
93 HB3 GLU 17 2HB GLU 17 6.113 -0.572 -0.153
94 HG2 GLU 17 1HG GLU 17 7.458 1.215 -1.192
95 HG3 GLU 17 2HG GLU 17 8.421 0.047 -0.288
96 H CYS 18 H CYS 18 5.465 -2.683 0.768
97 HA CYS 18 HA CYS 18 7.678 -3.574 2.499
98 HB2 CYS 18 1HB CYS 18 6.255 -2.839 4.410
99 HB3 CYS 18 2HB CYS 18 6.739 -1.519 3.350
100 H GLY 19 H GLY 19 4.246 -4.051 1.726
101 HA2 GLY 19 1HA GLY 19 3.603 -6.412 1.321
102 HA3 GLY 19 2HA GLY 19 4.506 -6.802 2.778
103 H LYS 20 H LYS 20 2.783 -3.874 2.947
104 HA LYS 20 HA LYS 20 1.097 -4.863 5.024
105 HB2 LYS 20 1HB LYS 20 1.546 -2.239 3.693
106 HB3 LYS 20 2HB LYS 20 0.034 -2.459 4.564
107 HG2 LYS 20 1HG LYS 20 1.544 -3.264 6.502
108 HG3 LYS 20 2HG LYS 20 2.832 -2.449 5.612
109 HD2 LYS 20 1HD LYS 20 2.059 -0.805 7.070
110 HD3 LYS 20 2HD LYS 20 1.224 -0.435 5.560
111 HE2 LYS 20 1HE LYS 20 -0.377 -0.282 7.315
112 HE3 LYS 20 2HE LYS 20 -0.721 -1.759 6.416
113 HZ1 LYS 20 3HZ LYS 20 -0.806 -2.549 8.531
114 HZ2 LYS 20 1HZ LYS 20 0.316 -1.435 9.132
115 HZ3 LYS 20 2HZ LYS 20 0.846 -2.773 8.244
116 H ALA 21 H ALA 21 -0.879 -5.705 4.895
117 HA ALA 21 HA ALA 21 -2.198 -5.787 2.291
118 HB1 ALA 21 3HB ALA 21 -2.342 -7.916 3.011
119 HB2 ALA 21 1HB ALA 21 -2.218 -7.463 4.711
120 HB3 ALA 21 2HB ALA 21 -3.761 -7.318 3.870
121 H PHE 22 H PHE 22 -4.048 -4.753 1.824
122 HA PHE 22 HA PHE 22 -5.429 -3.349 4.016
123 HB2 PHE 22 1HB PHE 22 -4.991 -2.357 1.191
124 HB3 PHE 22 2HB PHE 22 -5.915 -1.522 2.435
125 HD1 PHE 22 HD2 PHE 22 -2.546 -2.592 1.413
126 HD2 PHE 22 HD1 PHE 22 -4.842 -0.256 4.132
127 HE1 PHE 22 HE2 PHE 22 -0.494 -1.470 2.177
128 HE2 PHE 22 HE1 PHE 22 -2.793 0.870 4.900
129 HZ PHE 22 HZ PHE 22 -0.615 0.262 3.923
130 H ALA 23 H ALA 23 -7.706 -2.741 3.441
131 HA ALA 23 HA ALA 23 -9.058 -5.078 2.421
132 HB1 ALA 23 3HB ALA 23 -10.909 -4.328 3.512
133 HB2 ALA 23 1HB ALA 23 -9.680 -3.451 4.424
134 HB3 ALA 23 2HB ALA 23 -10.578 -2.636 3.144
135 H ARG 24 H ARG 24 -8.924 -1.625 1.571
136 HA ARG 24 HA ARG 24 -10.194 -2.257 -1.000
137 HB2 ARG 24 1HB ARG 24 -9.646 0.522 -0.000
138 HB3 ARG 24 2HB ARG 24 -10.862 -0.015 -1.151
139 HG2 ARG 24 1HG ARG 24 -12.311 -0.689 0.479
140 HG3 ARG 24 2HG ARG 24 -11.023 -1.022 1.639
141 HD2 ARG 24 1HD ARG 24 -10.764 1.250 2.169
142 HD3 ARG 24 2HD ARG 24 -11.653 1.771 0.739
143 HE ARG 24 HE ARG 24 -13.303 0.226 2.452
144 HH11 ARG 24 1HH1 ARG 24 -11.873 3.380 2.102
145 HH12 ARG 24 2HH1 ARG 24 -13.105 4.184 3.016
146 HH21 ARG 24 1HH2 ARG 24 -14.932 1.273 3.658
147 HH22 ARG 24 2HH2 ARG 24 -14.844 2.984 3.902
148 H LYS 25 H LYS 25 -9.321 -1.359 -2.953
149 HA LYS 25 HA LYS 25 -6.503 -1.659 -3.146
150 HB2 LYS 25 1HB LYS 25 -7.780 -2.300 -5.038
151 HB3 LYS 25 2HB LYS 25 -8.623 -0.757 -5.088
152 HG2 LYS 25 1HG LYS 25 -7.114 -0.658 -6.860
153 HG3 LYS 25 2HG LYS 25 -6.342 0.277 -5.577
154 HD2 LYS 25 1HD LYS 25 -4.987 -1.684 -4.981
155 HD3 LYS 25 2HD LYS 25 -5.747 -2.597 -6.288
156 HE2 LYS 25 1HE LYS 25 -4.872 -0.935 -7.899
157 HE3 LYS 25 2HE LYS 25 -4.047 -0.120 -6.571
158 HZ1 LYS 25 3HZ LYS 25 -3.579 -2.952 -7.325
159 HZ2 LYS 25 1HZ LYS 25 -2.704 -2.039 -6.202
160 HZ3 LYS 25 2HZ LYS 25 -2.618 -1.662 -7.848
161 H SER 26 H SER 26 -8.579 1.170 -3.803
162 HA SER 26 HA SER 26 -6.697 3.080 -4.256
163 HB2 SER 26 1HB SER 26 -8.293 4.733 -3.474
164 HB3 SER 26 2HB SER 26 -9.163 3.446 -4.309
165 HG SER 26 HG SER 26 -9.963 2.740 -2.431
166 H THR 27 H THR 27 -7.866 2.040 -1.067
167 HA THR 27 HA THR 27 -6.529 3.758 0.586
168 HB THR 27 HB THR 27 -6.933 0.790 1.000
169 HG1 THR 27 HG1 THR 27 -8.757 2.453 0.719
170 HG21 THR 27 3HG2 THR 27 -5.268 1.486 2.557
171 HG22 THR 27 1HG2 THR 27 -6.794 1.417 3.438
172 HG23 THR 27 2HG2 THR 27 -6.142 2.973 2.923
173 H LEU 28 H LEU 28 -5.242 0.716 -0.747
174 HA LEU 28 HA LEU 28 -2.738 0.747 0.420
175 HB2 LEU 28 1HB LEU 28 -3.384 -1.175 -0.774
176 HB3 LEU 28 2HB LEU 28 -3.689 -0.255 -2.246
177 HG LEU 28 HG LEU 28 -1.275 0.091 -2.520
178 HD11 LEU 28 1HD1 LEU 28 -0.456 -1.937 -0.605
179 HD12 LEU 28 2HD1 LEU 28 -1.126 -0.499 0.165
180 HD13 LEU 28 3HD1 LEU 28 0.237 -0.351 -0.945
181 HD21 LEU 28 3HD2 LEU 28 -0.860 -1.981 -3.436
182 HD22 LEU 28 1HD2 LEU 28 -2.618 -2.004 -3.300
183 HD23 LEU 28 2HD2 LEU 28 -1.630 -2.845 -2.105
184 H ILE 29 H ILE 29 -3.710 2.195 -2.682
185 HA ILE 29 HA ILE 29 -1.302 3.208 -3.528
186 HB ILE 29 HB ILE 29 -4.082 4.322 -3.795
187 HG12 ILE 29 1HG1 ILE 29 -3.447 3.722 -6.258
188 HG13 ILE 29 2HG1 ILE 29 -2.189 2.746 -5.508
189 HG21 ILE 29 1HG2 ILE 29 -2.904 5.709 -5.679
190 HG22 ILE 29 2HG2 ILE 29 -2.948 6.305 -4.020
191 HG23 ILE 29 3HG2 ILE 29 -1.491 5.527 -4.639
192 HD11 ILE 29 3HD1 ILE 29 -4.765 2.293 -4.282
193 HD12 ILE 29 1HD1 ILE 29 -4.795 1.986 -6.019
194 HD13 ILE 29 2HD1 ILE 29 -3.631 1.145 -4.994
195 H MET 30 H MET 30 -3.661 4.865 -1.430
196 HA MET 30 HA MET 30 -2.238 7.207 -1.002
197 HB2 MET 30 1HB MET 30 -3.878 5.888 1.150
198 HB3 MET 30 2HB MET 30 -3.660 7.606 0.844
199 HG2 MET 30 1HG MET 30 -5.288 5.634 -0.725
200 HG3 MET 30 2HG MET 30 -5.839 7.068 0.138
201 HE1 MET 30 3HE MET 30 -6.382 5.879 -2.549
202 HE2 MET 30 1HE MET 30 -6.672 7.341 -3.492
203 HE3 MET 30 2HE MET 30 -5.311 6.292 -3.889
204 H HIS 31 H HIS 31 -1.886 4.056 0.493
205 HA HIS 31 HA HIS 31 -0.139 4.921 2.580
206 HB2 HIS 31 1HB HIS 31 -1.110 2.916 3.148
207 HB3 HIS 31 2HB HIS 31 -1.054 2.298 1.500
208 HD1 HIS 31 HD1 HIS 31 0.857 2.394 4.672
209 HD2 HIS 31 HD2 HIS 31 1.423 1.116 0.760
210 HE1 HIS 31 HE1 HIS 31 2.903 0.933 4.732
211 H GLN 32 H GLN 32 0.395 3.206 -0.496
212 HA GLN 32 HA GLN 32 3.079 2.816 -0.465
213 HB2 GLN 32 1HB GLN 32 1.286 3.687 -2.720
214 HB3 GLN 32 2HB GLN 32 2.991 3.344 -2.979
215 HG2 GLN 32 1HG GLN 32 2.471 1.085 -1.845
216 HG3 GLN 32 2HG GLN 32 0.790 1.480 -2.199
217 HE21 GLN 32 1HE2 GLN 32 0.163 0.366 -3.898
218 HE22 GLN 32 2HE2 GLN 32 1.058 0.144 -5.359
219 H ARG 33 H ARG 33 1.434 5.859 -0.613
220 HA ARG 33 HA ARG 33 3.381 7.514 -1.699
221 HB2 ARG 33 1HB ARG 33 1.359 8.057 0.478
222 HB3 ARG 33 2HB ARG 33 2.343 9.309 -0.269
223 HG2 ARG 33 1HG ARG 33 1.305 9.010 -2.367
224 HG3 ARG 33 2HG ARG 33 0.541 7.505 -1.854
225 HD2 ARG 33 1HD ARG 33 -1.072 9.329 -1.891
226 HD3 ARG 33 2HD ARG 33 -0.822 8.743 -0.247
227 HE ARG 33 HE ARG 33 0.830 10.991 -0.952
228 HH11 ARG 33 1HH1 ARG 33 -2.255 9.974 0.301
229 HH12 ARG 33 2HH1 ARG 33 -2.548 11.458 1.145
230 HH21 ARG 33 1HH2 ARG 33 0.456 12.949 0.156
231 HH22 ARG 33 2HH2 ARG 33 -1.006 13.150 1.061
232 H ILE 34 H ILE 34 2.968 6.437 1.654
233 HA ILE 34 HA ILE 34 4.864 7.919 2.951
234 HB ILE 34 HB ILE 34 4.968 6.270 4.615
235 HG12 ILE 34 1HG1 ILE 34 4.232 4.267 2.471
236 HG13 ILE 34 2HG1 ILE 34 5.787 4.413 3.283
237 HG21 ILE 34 1HG2 ILE 34 2.560 7.059 3.598
238 HG22 ILE 34 2HG2 ILE 34 2.376 5.307 3.666
239 HG23 ILE 34 3HG2 ILE 34 2.788 6.207 5.125
240 HD11 ILE 34 3HD1 ILE 34 4.757 2.596 4.304
241 HD12 ILE 34 1HD1 ILE 34 4.502 3.927 5.433
242 HD13 ILE 34 2HD1 ILE 34 3.191 3.404 4.375
243 H HIS 35 H HIS 35 5.370 5.239 0.756
244 HA HIS 35 HA HIS 35 8.152 4.917 1.347
245 HB2 HIS 35 1HB HIS 35 6.479 3.988 -0.994
246 HB3 HIS 35 2HB HIS 35 8.162 3.536 -0.740
247 HD1 HIS 35 HD1 HIS 35 8.417 2.544 1.958
248 HD2 HIS 35 HD2 HIS 35 4.876 2.001 -0.146
249 HE1 HIS 35 HE1 HIS 35 7.257 0.616 3.081
250 H THR 36 H THR 36 6.434 6.218 -1.497
251 HA THR 36 HA THR 36 8.820 7.342 -2.608
252 HB THR 36 HB THR 36 7.181 6.738 -4.195
253 HG1 THR 36 HG1 THR 36 8.178 8.994 -4.299
254 HG21 THR 36 3HG2 THR 36 5.160 6.576 -3.065
255 HG22 THR 36 1HG2 THR 36 4.897 7.982 -4.096
256 HG23 THR 36 2HG2 THR 36 5.290 8.200 -2.391
257 H GLY 37 H GLY 37 9.352 8.506 -0.536
258 HA2 GLY 37 1HA GLY 37 8.816 11.283 -0.868
259 HA3 GLY 37 2HA GLY 37 7.931 10.637 0.506
260 H GLU 38 H GLU 38 11.224 10.360 -0.843
261 HA GLU 38 HA GLU 38 12.259 10.982 1.841
262 HB2 GLU 38 1HB GLU 38 12.963 8.714 0.025
263 HB3 GLU 38 2HB GLU 38 14.214 9.401 1.051
264 HG2 GLU 38 1HG GLU 38 11.612 8.629 2.270
265 HG3 GLU 38 2HG GLU 38 12.776 7.372 1.854
266 H LYS 39 H LYS 39 14.552 11.716 1.799
267 HA LYS 39 HA LYS 39 14.905 13.607 -0.386
268 HB2 LYS 39 1HB LYS 39 16.182 13.288 2.321
269 HB3 LYS 39 2HB LYS 39 16.837 14.392 1.118
270 HG2 LYS 39 1HG LYS 39 13.948 14.582 1.798
271 HG3 LYS 39 2HG LYS 39 15.136 15.208 2.944
272 HD2 LYS 39 1HD LYS 39 15.919 16.809 1.446
273 HD3 LYS 39 2HD LYS 39 15.268 15.955 0.044
274 HE2 LYS 39 1HE LYS 39 13.428 17.028 2.144
275 HE3 LYS 39 2HE LYS 39 14.086 18.103 0.912
276 HZ1 LYS 39 3HZ LYS 39 12.461 15.663 0.443
277 HZ2 LYS 39 1HZ LYS 39 13.183 16.581 -0.780
278 HZ3 LYS 39 2HZ LYS 39 11.978 17.264 0.189
279 HA PRO 40 HA PRO 40 18.118 11.452 -2.460
280 HB2 PRO 40 1HB PRO 40 19.693 13.502 -3.287
281 HB3 PRO 40 2HB PRO 40 18.112 13.157 -3.999
282 HG2 PRO 40 1HG PRO 40 18.858 15.196 -1.938
283 HG3 PRO 40 2HG PRO 40 17.789 15.364 -3.342
284 HD2 PRO 40 1HD PRO 40 16.847 14.992 -0.831
285 HD3 PRO 40 2HD PRO 40 16.011 14.366 -2.268
286 H SER 41 H SER 41 20.663 11.570 -2.684
287 HA SER 41 HA SER 41 21.750 10.825 -0.226
288 HB2 SER 41 1HB SER 41 23.883 10.730 -1.355
289 HB3 SER 41 2HB SER 41 22.640 10.178 -2.478
290 HG SER 41 HG SER 41 24.377 12.012 -2.953
291 H GLY 42 H GLY 42 23.503 11.819 0.984
292 HA2 GLY 42 1HA GLY 42 24.794 13.737 1.599
293 HA3 GLY 42 2HA GLY 42 23.623 14.749 0.766
294 HA PRO 43 HA PRO 43 22.651 13.967 5.441
295 HB2 PRO 43 1HB PRO 43 24.284 15.737 6.693
296 HB3 PRO 43 2HB PRO 43 24.729 14.049 6.416
297 HG2 PRO 43 1HG PRO 43 25.503 16.491 4.867
298 HG3 PRO 43 2HG PRO 43 26.507 15.116 5.363
299 HD2 PRO 43 1HD PRO 43 25.509 15.364 2.858
300 HD3 PRO 43 2HD PRO 43 25.761 13.787 3.633
301 H SER 44 H SER 44 23.532 16.908 3.699
302 HA SER 44 HA SER 44 22.032 18.748 5.176
303 HB2 SER 44 1HB SER 44 22.203 20.209 3.246
304 HB3 SER 44 2HB SER 44 23.727 19.343 3.446
305 HG SER 44 HG SER 44 21.646 18.607 1.659
306 H SER 45 H SER 45 20.062 19.900 4.387
307 HA SER 45 HA SER 45 17.785 19.760 4.176
308 HB2 SER 45 1HB SER 45 18.595 20.042 1.828
309 HB3 SER 45 2HB SER 45 18.536 18.290 1.638
310 HG SER 45 HG SER 45 16.595 18.922 0.924
311 H GLY 46 H GLY 46 18.670 17.787 5.875
312 HA2 GLY 46 1HA GLY 46 17.377 15.299 5.041
313 HA3 GLY 46 2HA GLY 46 18.363 15.524 6.478
Start of MODEL 12
1 H1 GLY 1 H GLY 1 11.590 -15.196 3.386
2 HA2 GLY 1 1HA GLY 1 9.591 -16.927 3.828
3 HA3 GLY 1 2HA GLY 1 10.173 -15.864 5.100
4 H SER 2 H SER 2 7.878 -15.995 2.394
5 HA SER 2 HA SER 2 6.269 -13.901 3.628
6 HB2 SER 2 1HB SER 2 4.872 -14.143 1.555
7 HB3 SER 2 2HB SER 2 6.553 -13.712 1.242
8 HG SER 2 HG SER 2 6.424 -15.370 -0.062
9 H SER 3 H SER 3 5.985 -17.307 2.688
10 HA SER 3 HA SER 3 4.357 -18.866 3.132
11 HB2 SER 3 1HB SER 3 4.726 -17.604 5.860
12 HB3 SER 3 2HB SER 3 3.984 -19.176 5.564
13 HG SER 3 HG SER 3 6.647 -18.426 5.497
14 H GLY 4 H GLY 4 3.193 -16.623 1.998
15 HA2 GLY 4 1HA GLY 4 1.006 -15.632 3.539
16 HA3 GLY 4 2HA GLY 4 1.209 -15.470 1.801
17 H SER 5 H SER 5 -1.046 -16.320 3.735
18 HA SER 5 HA SER 5 -1.803 -18.914 3.527
19 HB2 SER 5 1HB SER 5 -3.365 -16.363 3.436
20 HB3 SER 5 2HB SER 5 -4.207 -17.886 3.153
21 HG SER 5 HG SER 5 -2.503 -17.570 5.375
22 H SER 6 H SER 6 -2.101 -20.318 1.936
23 HA SER 6 HA SER 6 -2.351 -19.308 -0.804
24 HB2 SER 6 1HB SER 6 -0.529 -20.814 -0.629
25 HB3 SER 6 2HB SER 6 -1.464 -21.957 0.335
26 HG SER 6 HG SER 6 -1.146 -21.964 -2.266
27 H GLY 7 H GLY 7 -4.577 -18.809 -0.735
28 HA2 GLY 7 1HA GLY 7 -6.271 -21.055 -1.360
29 HA3 GLY 7 2HA GLY 7 -6.691 -20.266 0.153
30 H THR 8 H THR 8 -8.745 -19.820 -0.886
31 HA THR 8 HA THR 8 -8.920 -18.147 -3.176
32 HB THR 8 HB THR 8 -11.312 -17.773 -2.334
33 HG1 THR 8 HG1 THR 8 -10.511 -18.505 -0.104
34 HG21 THR 8 3HG2 THR 8 -10.189 -20.498 -2.946
35 HG22 THR 8 1HG2 THR 8 -10.979 -19.370 -4.046
36 HG23 THR 8 2HG2 THR 8 -11.922 -20.199 -2.807
37 H GLY 9 H GLY 9 -8.574 -17.550 0.235
38 HA2 GLY 9 1HA GLY 9 -8.689 -15.582 1.467
39 HA3 GLY 9 2HA GLY 9 -7.577 -15.065 0.209
40 H GLU 10 H GLU 10 -8.175 -12.990 -0.101
41 HA GLU 10 HA GLU 10 -10.799 -12.545 -1.286
42 HB2 GLU 10 1HB GLU 10 -9.820 -11.245 1.234
43 HB3 GLU 10 2HB GLU 10 -10.909 -10.380 0.159
44 HG2 GLU 10 1HG GLU 10 -11.554 -13.122 1.179
45 HG3 GLU 10 2HG GLU 10 -11.927 -11.670 2.106
46 H ARG 11 H ARG 11 -10.873 -9.995 -1.812
47 HA ARG 11 HA ARG 11 -8.726 -9.598 -3.668
48 HB2 ARG 11 1HB ARG 11 -9.936 -7.504 -4.237
49 HB3 ARG 11 2HB ARG 11 -10.958 -8.934 -4.303
50 HG2 ARG 11 1HG ARG 11 -11.465 -8.197 -1.797
51 HG3 ARG 11 2HG ARG 11 -11.044 -6.619 -2.466
52 HD2 ARG 11 1HD ARG 11 -12.913 -8.332 -4.012
53 HD3 ARG 11 2HD ARG 11 -13.520 -7.573 -2.540
54 HE ARG 11 HE ARG 11 -12.407 -5.493 -3.784
55 HH11 ARG 11 1HH1 ARG 11 -14.525 -7.994 -4.959
56 HH12 ARG 11 2HH1 ARG 11 -15.261 -6.987 -6.161
57 HH21 ARG 11 1HH2 ARG 11 -13.369 -4.157 -5.364
58 HH22 ARG 11 2HH2 ARG 11 -14.602 -4.805 -6.391
59 H HIS 12 H HIS 12 -7.526 -9.710 -1.261
60 HA HIS 12 HA HIS 12 -7.145 -7.051 -0.186
61 HB2 HIS 12 1HB HIS 12 -5.850 -8.058 1.498
62 HB3 HIS 12 2HB HIS 12 -7.099 -9.248 1.147
63 HD1 HIS 12 HD1 HIS 12 -6.360 -11.471 0.113
64 HD2 HIS 12 HD2 HIS 12 -3.244 -8.784 0.690
65 HE1 HIS 12 HE1 HIS 12 -4.254 -12.799 -0.237
66 H TYR 13 H TYR 13 -5.871 -5.627 -1.152
67 HA TYR 13 HA TYR 13 -3.761 -6.532 -2.944
68 HB2 TYR 13 1HB TYR 13 -4.774 -3.743 -2.355
69 HB3 TYR 13 2HB TYR 13 -3.597 -4.161 -3.594
70 HD1 TYR 13 HD2 TYR 13 -7.061 -5.082 -2.531
71 HD2 TYR 13 HD1 TYR 13 -4.356 -4.456 -5.755
72 HE1 TYR 13 HE2 TYR 13 -8.890 -5.460 -4.131
73 HE2 TYR 13 HE1 TYR 13 -6.177 -4.832 -7.364
74 HH TYR 13 HH TYR 13 -8.906 -4.545 -7.153
75 H GLU 14 H GLU 14 -1.822 -6.923 -2.123
76 HA GLU 14 HA GLU 14 -0.965 -5.593 0.322
77 HB2 GLU 14 1HB GLU 14 -0.686 -8.135 -0.374
78 HB3 GLU 14 2HB GLU 14 0.773 -7.527 -1.142
79 HG2 GLU 14 1HG GLU 14 1.784 -7.032 0.841
80 HG3 GLU 14 2HG GLU 14 0.257 -6.778 1.684
81 H CYS 15 H CYS 15 1.224 -4.696 0.475
82 HA CYS 15 HA CYS 15 1.845 -3.129 -1.918
83 HB2 CYS 15 1HB CYS 15 1.466 -1.843 0.108
84 HB3 CYS 15 2HB CYS 15 2.685 -2.779 0.966
85 H SER 16 H SER 16 3.360 -3.928 -3.207
86 HA SER 16 HA SER 16 5.165 -5.959 -2.526
87 HB2 SER 16 1HB SER 16 5.151 -3.962 -4.791
88 HB3 SER 16 2HB SER 16 6.355 -5.244 -4.660
89 HG SER 16 HG SER 16 4.607 -6.746 -4.668
90 H GLU 17 H GLU 17 5.248 -2.616 -1.880
91 HA GLU 17 HA GLU 17 8.077 -2.269 -1.779
92 HB2 GLU 17 1HB GLU 17 6.119 -0.507 -1.884
93 HB3 GLU 17 2HB GLU 17 6.217 -0.606 -0.132
94 HG2 GLU 17 1HG GLU 17 7.540 1.240 -1.136
95 HG3 GLU 17 2HG GLU 17 8.478 0.132 -0.136
96 H CYS 18 H CYS 18 5.595 -2.731 0.733
97 HA CYS 18 HA CYS 18 7.737 -3.633 2.546
98 HB2 CYS 18 1HB CYS 18 6.306 -2.851 4.416
99 HB3 CYS 18 2HB CYS 18 6.803 -1.543 3.348
100 H GLY 19 H GLY 19 4.310 -4.015 1.690
101 HA2 GLY 19 1HA GLY 19 3.645 -6.377 1.255
102 HA3 GLY 19 2HA GLY 19 4.462 -6.765 2.762
103 H LYS 20 H LYS 20 2.769 -3.800 2.747
104 HA LYS 20 HA LYS 20 0.985 -4.685 4.785
105 HB2 LYS 20 1HB LYS 20 1.981 -2.319 4.359
106 HB3 LYS 20 2HB LYS 20 0.624 -2.126 3.257
107 HG2 LYS 20 1HG LYS 20 -0.913 -2.064 4.935
108 HG3 LYS 20 2HG LYS 20 0.051 -3.082 6.007
109 HD2 LYS 20 1HD LYS 20 1.662 -1.117 6.164
110 HD3 LYS 20 2HD LYS 20 0.392 -0.154 5.405
111 HE2 LYS 20 1HE LYS 20 -0.326 -1.811 7.766
112 HE3 LYS 20 2HE LYS 20 0.624 -0.350 8.038
113 HZ1 LYS 20 3HZ LYS 20 -2.137 -0.631 7.133
114 HZ2 LYS 20 1HZ LYS 20 -1.239 0.640 6.470
115 HZ3 LYS 20 2HZ LYS 20 -1.443 0.533 8.146
116 H ALA 21 H ALA 21 -0.918 -5.646 4.562
117 HA ALA 21 HA ALA 21 -2.140 -5.818 1.925
118 HB1 ALA 21 3HB ALA 21 -1.857 -7.628 3.972
119 HB2 ALA 21 1HB ALA 21 -3.549 -7.145 4.102
120 HB3 ALA 21 2HB ALA 21 -2.931 -7.799 2.584
121 H PHE 22 H PHE 22 -3.955 -4.800 1.319
122 HA PHE 22 HA PHE 22 -5.477 -3.345 3.379
123 HB2 PHE 22 1HB PHE 22 -4.765 -2.406 0.593
124 HB3 PHE 22 2HB PHE 22 -5.873 -1.570 1.676
125 HD1 PHE 22 HD1 PHE 22 -5.015 -0.590 3.792
126 HD2 PHE 22 HD2 PHE 22 -2.426 -2.182 0.813
127 HE1 PHE 22 HE1 PHE 22 -3.124 0.627 4.791
128 HE2 PHE 22 HE2 PHE 22 -0.531 -0.969 1.807
129 HZ PHE 22 HZ PHE 22 -0.878 0.437 3.799
130 H ALA 23 H ALA 23 -7.714 -2.806 2.707
131 HA ALA 23 HA ALA 23 -8.913 -5.117 1.400
132 HB1 ALA 23 3HB ALA 23 -10.725 -4.761 2.683
133 HB2 ALA 23 1HB ALA 23 -9.620 -3.772 3.637
134 HB3 ALA 23 2HB ALA 23 -10.679 -3.014 2.447
135 H ARG 24 H ARG 24 -8.781 -1.598 1.062
136 HA ARG 24 HA ARG 24 -10.199 -1.815 -1.501
137 HB2 ARG 24 1HB ARG 24 -9.521 0.720 -0.012
138 HB3 ARG 24 2HB ARG 24 -10.668 0.522 -1.330
139 HG2 ARG 24 1HG ARG 24 -12.151 0.535 0.366
140 HG3 ARG 24 2HG ARG 24 -11.740 -1.180 0.431
141 HD2 ARG 24 1HD ARG 24 -9.883 -0.441 2.062
142 HD3 ARG 24 2HD ARG 24 -10.810 1.053 2.199
143 HE ARG 24 HE ARG 24 -11.493 -1.523 3.289
144 HH11 ARG 24 1HH1 ARG 24 -12.696 1.582 2.272
145 HH12 ARG 24 2HH1 ARG 24 -14.114 1.503 3.265
146 HH21 ARG 24 1HH2 ARG 24 -13.355 -1.638 4.600
147 HH22 ARG 24 2HH2 ARG 24 -14.487 -0.328 4.590
148 H LYS 25 H LYS 25 -9.232 -1.332 -3.396
149 HA LYS 25 HA LYS 25 -6.479 -1.441 -3.688
150 HB2 LYS 25 1HB LYS 25 -7.885 -1.922 -5.561
151 HB3 LYS 25 2HB LYS 25 -8.605 -0.318 -5.513
152 HG2 LYS 25 1HG LYS 25 -7.159 -0.016 -7.232
153 HG3 LYS 25 2HG LYS 25 -6.092 0.420 -5.896
154 HD2 LYS 25 1HD LYS 25 -6.216 -2.437 -6.710
155 HD3 LYS 25 2HD LYS 25 -5.361 -1.311 -7.767
156 HE2 LYS 25 1HE LYS 25 -4.827 -1.469 -4.813
157 HE3 LYS 25 2HE LYS 25 -3.989 -2.494 -5.977
158 HZ1 LYS 25 3HZ LYS 25 -3.947 0.236 -6.777
159 HZ2 LYS 25 1HZ LYS 25 -2.655 -0.828 -6.530
160 HZ3 LYS 25 2HZ LYS 25 -3.287 0.051 -5.231
161 H SER 26 H SER 26 -8.551 1.451 -3.967
162 HA SER 26 HA SER 26 -6.583 3.345 -4.347
163 HB2 SER 26 1HB SER 26 -9.240 3.525 -2.926
164 HB3 SER 26 2HB SER 26 -8.213 4.935 -3.187
165 HG SER 26 HG SER 26 -9.426 4.938 -4.962
166 H THR 27 H THR 27 -7.858 2.104 -1.277
167 HA THR 27 HA THR 27 -6.584 3.696 0.540
168 HB THR 27 HB THR 27 -7.051 0.716 0.680
169 HG1 THR 27 HG1 THR 27 -8.526 3.012 1.246
170 HG21 THR 27 3HG2 THR 27 -6.965 1.594 3.270
171 HG22 THR 27 1HG2 THR 27 -5.657 2.514 2.527
172 HG23 THR 27 2HG2 THR 27 -5.655 0.752 2.442
173 H LEU 28 H LEU 28 -5.228 0.799 -1.018
174 HA LEU 28 HA LEU 28 -2.767 0.723 0.233
175 HB2 LEU 28 1HB LEU 28 -3.345 -1.072 -1.168
176 HB3 LEU 28 2HB LEU 28 -3.623 -0.011 -2.548
177 HG LEU 28 HG LEU 28 -1.257 0.333 -2.825
178 HD11 LEU 28 1HD1 LEU 28 -0.197 -1.582 -0.988
179 HD12 LEU 28 2HD1 LEU 28 -1.128 -0.372 -0.105
180 HD13 LEU 28 3HD1 LEU 28 0.191 0.130 -1.162
181 HD21 LEU 28 3HD2 LEU 28 -2.474 -1.834 -3.590
182 HD22 LEU 28 1HD2 LEU 28 -1.472 -2.612 -2.364
183 HD23 LEU 28 2HD2 LEU 28 -0.715 -1.737 -3.695
184 H ILE 29 H ILE 29 -3.663 2.504 -2.711
185 HA ILE 29 HA ILE 29 -1.233 3.599 -3.383
186 HB ILE 29 HB ILE 29 -4.016 4.708 -3.609
187 HG12 ILE 29 1HG1 ILE 29 -3.473 4.377 -6.061
188 HG13 ILE 29 2HG1 ILE 29 -1.992 3.576 -5.546
189 HG21 ILE 29 1HG2 ILE 29 -2.944 6.730 -3.553
190 HG22 ILE 29 2HG2 ILE 29 -1.429 6.068 -4.165
191 HG23 ILE 29 3HG2 ILE 29 -2.781 6.337 -5.264
192 HD11 ILE 29 3HD1 ILE 29 -3.900 2.065 -6.123
193 HD12 ILE 29 1HD1 ILE 29 -3.200 1.817 -4.524
194 HD13 ILE 29 2HD1 ILE 29 -4.729 2.681 -4.694
195 H MET 30 H MET 30 -3.668 5.088 -1.241
196 HA MET 30 HA MET 30 -2.275 7.348 -0.506
197 HB2 MET 30 1HB MET 30 -3.929 5.772 1.457
198 HB3 MET 30 2HB MET 30 -3.718 7.515 1.365
199 HG2 MET 30 1HG MET 30 -5.284 5.750 -0.493
200 HG3 MET 30 2HG MET 30 -5.892 7.014 0.574
201 HE1 MET 30 3HE MET 30 -6.172 6.142 -2.349
202 HE2 MET 30 1HE MET 30 -6.669 7.711 -2.984
203 HE3 MET 30 2HE MET 30 -5.180 6.961 -3.557
204 H HIS 31 H HIS 31 -1.990 4.075 0.774
205 HA HIS 31 HA HIS 31 -0.258 4.726 2.923
206 HB2 HIS 31 1HB HIS 31 -1.184 2.655 3.260
207 HB3 HIS 31 2HB HIS 31 -1.122 2.230 1.552
208 HD1 HIS 31 HD1 HIS 31 0.746 1.921 4.721
209 HD2 HIS 31 HD2 HIS 31 1.411 1.230 0.679
210 HE1 HIS 31 HE1 HIS 31 2.818 0.502 4.614
211 H GLN 32 H GLN 32 0.375 3.357 -0.304
212 HA GLN 32 HA GLN 32 3.065 3.017 -0.252
213 HB2 GLN 32 1HB GLN 32 1.352 4.143 -2.464
214 HB3 GLN 32 2HB GLN 32 3.047 3.731 -2.689
215 HG2 GLN 32 1HG GLN 32 2.512 1.410 -1.979
216 HG3 GLN 32 2HG GLN 32 0.808 1.863 -1.951
217 HE21 GLN 32 1HE2 GLN 32 1.262 -0.143 -3.510
218 HE22 GLN 32 2HE2 GLN 32 1.313 0.293 -5.181
219 H ARG 33 H ARG 33 1.349 6.046 -0.237
220 HA ARG 33 HA ARG 33 3.223 7.858 -1.078
221 HB2 ARG 33 1HB ARG 33 1.359 8.122 1.289
222 HB3 ARG 33 2HB ARG 33 2.193 9.460 0.510
223 HG2 ARG 33 1HG ARG 33 0.958 9.169 -1.499
224 HG3 ARG 33 2HG ARG 33 0.281 7.641 -0.930
225 HD2 ARG 33 1HD ARG 33 -1.429 9.235 -0.645
226 HD3 ARG 33 2HD ARG 33 -0.755 8.971 0.963
227 HE ARG 33 HE ARG 33 0.015 11.138 0.972
228 HH11 ARG 33 1HH1 ARG 33 -1.053 10.280 -2.229
229 HH12 ARG 33 2HH1 ARG 33 -0.963 11.901 -2.835
230 HH21 ARG 33 1HH2 ARG 33 0.137 13.276 0.186
231 HH22 ARG 33 2HH2 ARG 33 -0.285 13.604 -1.460
232 H ILE 34 H ILE 34 3.042 6.246 2.060
233 HA ILE 34 HA ILE 34 4.942 7.639 3.485
234 HB ILE 34 HB ILE 34 5.249 5.709 4.852
235 HG12 ILE 34 1HG1 ILE 34 4.016 4.080 2.620
236 HG13 ILE 34 2HG1 ILE 34 5.732 4.117 3.013
237 HG21 ILE 34 1HG2 ILE 34 2.607 6.452 3.897
238 HG22 ILE 34 2HG2 ILE 34 2.651 4.831 4.588
239 HG23 ILE 34 3HG2 ILE 34 3.189 6.212 5.544
240 HD11 ILE 34 3HD1 ILE 34 3.497 2.762 4.379
241 HD12 ILE 34 1HD1 ILE 34 5.171 2.256 4.154
242 HD13 ILE 34 2HD1 ILE 34 4.765 3.435 5.402
243 H HIS 35 H HIS 35 5.415 5.194 1.000
244 HA HIS 35 HA HIS 35 8.249 5.004 1.397
245 HB2 HIS 35 1HB HIS 35 6.529 4.113 -0.928
246 HB3 HIS 35 2HB HIS 35 8.221 3.684 -0.691
247 HD1 HIS 35 HD1 HIS 35 8.529 2.546 1.917
248 HD2 HIS 35 HD2 HIS 35 4.931 2.109 -0.113
249 HE1 HIS 35 HE1 HIS 35 7.397 0.565 2.974
250 H THR 36 H THR 36 6.315 6.230 -1.342
251 HA THR 36 HA THR 36 8.521 7.589 -2.518
252 HB THR 36 HB THR 36 6.667 6.853 -3.907
253 HG1 THR 36 HG1 THR 36 6.992 8.532 -5.153
254 HG21 THR 36 3HG2 THR 36 4.948 7.342 -2.055
255 HG22 THR 36 1HG2 THR 36 4.465 7.628 -3.726
256 HG23 THR 36 2HG2 THR 36 4.930 8.984 -2.698
257 H GLY 37 H GLY 37 9.471 9.205 -1.421
258 HA2 GLY 37 1HA GLY 37 8.380 11.732 -1.217
259 HA3 GLY 37 2HA GLY 37 8.063 10.962 0.331
260 H GLU 38 H GLU 38 10.231 9.612 0.979
261 HA GLU 38 HA GLU 38 12.379 11.628 0.933
262 HB2 GLU 38 1HB GLU 38 11.666 9.615 3.071
263 HB3 GLU 38 2HB GLU 38 13.091 10.643 3.112
264 HG2 GLU 38 1HG GLU 38 11.701 11.889 4.394
265 HG3 GLU 38 2HG GLU 38 11.294 12.550 2.811
266 H LYS 39 H LYS 39 14.252 11.070 0.042
267 HA LYS 39 HA LYS 39 15.364 8.457 0.209
268 HB2 LYS 39 1HB LYS 39 15.309 7.856 -2.145
269 HB3 LYS 39 2HB LYS 39 13.670 8.038 -1.533
270 HG2 LYS 39 1HG LYS 39 13.840 10.441 -2.465
271 HG3 LYS 39 2HG LYS 39 15.193 9.804 -3.402
272 HD2 LYS 39 1HD LYS 39 13.817 8.247 -4.518
273 HD3 LYS 39 2HD LYS 39 12.495 8.474 -3.370
274 HE2 LYS 39 1HE LYS 39 13.457 10.805 -4.964
275 HE3 LYS 39 2HE LYS 39 12.433 9.599 -5.742
276 HZ1 LYS 39 3HZ LYS 39 10.662 10.100 -4.386
277 HZ2 LYS 39 1HZ LYS 39 11.363 11.627 -4.584
278 HZ3 LYS 39 2HZ LYS 39 11.625 10.754 -3.159
279 HA PRO 40 HA PRO 40 19.024 10.785 -0.487
280 HB2 PRO 40 1HB PRO 40 20.689 8.835 -1.380
281 HB3 PRO 40 2HB PRO 40 20.177 8.963 0.307
282 HG2 PRO 40 1HG PRO 40 19.126 7.188 -1.862
283 HG3 PRO 40 2HG PRO 40 19.473 6.798 -0.167
284 HD2 PRO 40 1HD PRO 40 16.966 7.288 -1.064
285 HD3 PRO 40 2HD PRO 40 17.490 7.706 0.579
286 H SER 41 H SER 41 20.982 10.442 -2.349
287 HA SER 41 HA SER 41 20.383 11.937 -4.470
288 HB2 SER 41 1HB SER 41 22.638 11.077 -4.087
289 HB3 SER 41 2HB SER 41 22.127 9.464 -4.581
290 HG SER 41 HG SER 41 21.520 10.577 -6.633
291 H GLY 42 H GLY 42 20.135 8.377 -4.610
292 HA2 GLY 42 1HA GLY 42 17.652 8.292 -5.877
293 HA3 GLY 42 2HA GLY 42 18.873 8.322 -7.141
294 HA PRO 43 HA PRO 43 19.310 4.221 -4.546
295 HB2 PRO 43 1HB PRO 43 16.994 3.422 -3.377
296 HB3 PRO 43 2HB PRO 43 18.196 4.417 -2.546
297 HG2 PRO 43 1HG PRO 43 15.655 5.247 -3.894
298 HG3 PRO 43 2HG PRO 43 16.327 5.786 -2.344
299 HD2 PRO 43 1HD PRO 43 16.546 7.246 -4.613
300 HD3 PRO 43 2HD PRO 43 17.790 7.258 -3.347
301 H SER 44 H SER 44 18.043 2.010 -4.766
302 HA SER 44 HA SER 44 17.106 1.927 -7.530
303 HB2 SER 44 1HB SER 44 17.560 -0.444 -7.452
304 HB3 SER 44 2HB SER 44 18.941 0.405 -6.758
305 HG SER 44 HG SER 44 17.709 0.007 -4.678
306 H SER 45 H SER 45 15.257 3.052 -5.841
307 HA SER 45 HA SER 45 13.190 0.957 -5.717
308 HB2 SER 45 1HB SER 45 12.337 1.791 -3.692
309 HB3 SER 45 2HB SER 45 14.084 1.845 -3.460
310 HG SER 45 HG SER 45 14.047 4.041 -3.866
311 H GLY 46 H GLY 46 11.061 1.596 -6.228
312 HA2 GLY 46 1HA GLY 46 10.539 4.305 -7.094
313 HA3 GLY 46 2HA GLY 46 10.634 3.139 -8.405
Start of MODEL 13
1 H1 GLY 1 H GLY 1 10.685 -27.103 -8.285
2 HA2 GLY 1 1HA GLY 1 12.966 -26.299 -6.838
3 HA3 GLY 1 2HA GLY 1 12.854 -25.332 -8.301
4 H SER 2 H SER 2 11.322 -23.744 -8.461
5 HA SER 2 HA SER 2 9.918 -23.111 -5.968
6 HB2 SER 2 1HB SER 2 9.746 -20.833 -6.844
7 HB3 SER 2 2HB SER 2 11.420 -21.385 -6.902
8 HG SER 2 HG SER 2 11.092 -20.552 -8.877
9 H SER 3 H SER 3 7.811 -21.777 -6.433
10 HA SER 3 HA SER 3 6.267 -22.720 -8.682
11 HB2 SER 3 1HB SER 3 4.506 -23.767 -7.274
12 HB3 SER 3 2HB SER 3 6.037 -24.638 -7.204
13 HG SER 3 HG SER 3 5.388 -24.434 -5.121
14 H GLY 4 H GLY 4 4.438 -21.489 -9.067
15 HA2 GLY 4 1HA GLY 4 3.987 -19.259 -7.180
16 HA3 GLY 4 2HA GLY 4 4.033 -19.020 -8.920
17 H SER 5 H SER 5 1.900 -18.512 -6.915
18 HA SER 5 HA SER 5 -0.265 -19.680 -8.442
19 HB2 SER 5 1HB SER 5 0.306 -20.425 -5.598
20 HB3 SER 5 2HB SER 5 -1.371 -20.303 -6.132
21 HG SER 5 HG SER 5 0.110 -22.370 -6.401
22 H SER 6 H SER 6 -2.260 -18.602 -8.155
23 HA SER 6 HA SER 6 -2.355 -16.316 -6.362
24 HB2 SER 6 1HB SER 6 -1.276 -15.651 -8.623
25 HB3 SER 6 2HB SER 6 -2.904 -15.823 -9.280
26 HG SER 6 HG SER 6 -2.748 -13.728 -8.658
27 H GLY 7 H GLY 7 -4.368 -15.947 -5.632
28 HA2 GLY 7 1HA GLY 7 -6.490 -17.686 -6.589
29 HA3 GLY 7 2HA GLY 7 -6.544 -16.658 -5.165
30 H THR 8 H THR 8 -8.534 -17.000 -7.274
31 HA THR 8 HA THR 8 -8.556 -14.288 -8.421
32 HB THR 8 HB THR 8 -8.667 -15.969 -10.151
33 HG1 THR 8 HG1 THR 8 -10.347 -14.061 -9.899
34 HG21 THR 8 3HG2 THR 8 -9.640 -17.943 -9.817
35 HG22 THR 8 1HG2 THR 8 -11.212 -17.158 -9.679
36 HG23 THR 8 2HG2 THR 8 -10.215 -17.393 -8.244
37 H GLY 9 H GLY 9 -9.384 -13.301 -6.530
38 HA2 GLY 9 1HA GLY 9 -12.037 -12.766 -6.396
39 HA3 GLY 9 2HA GLY 9 -11.884 -14.209 -5.404
40 H GLU 10 H GLU 10 -9.576 -13.852 -4.058
41 HA GLU 10 HA GLU 10 -10.156 -12.419 -1.858
42 HB2 GLU 10 1HB GLU 10 -7.441 -12.771 -3.133
43 HB3 GLU 10 2HB GLU 10 -7.674 -12.132 -1.511
44 HG2 GLU 10 1HG GLU 10 -8.800 -14.789 -2.304
45 HG3 GLU 10 2HG GLU 10 -7.124 -14.619 -1.783
46 H ARG 11 H ARG 11 -10.339 -10.353 -1.247
47 HA ARG 11 HA ARG 11 -9.684 -8.285 -3.226
48 HB2 ARG 11 1HB ARG 11 -12.049 -8.650 -2.133
49 HB3 ARG 11 2HB ARG 11 -11.343 -7.755 -0.795
50 HG2 ARG 11 1HG ARG 11 -10.790 -5.929 -2.390
51 HG3 ARG 11 2HG ARG 11 -11.675 -6.815 -3.633
52 HD2 ARG 11 1HD ARG 11 -13.719 -6.618 -2.427
53 HD3 ARG 11 2HD ARG 11 -12.887 -5.997 -1.002
54 HE ARG 11 HE ARG 11 -12.511 -4.352 -3.315
55 HH11 ARG 11 1HH1 ARG 11 -14.663 -5.085 -0.678
56 HH12 ARG 11 2HH1 ARG 11 -15.404 -3.519 -0.676
57 HH21 ARG 11 1HH2 ARG 11 -13.480 -2.287 -3.323
58 HH22 ARG 11 2HH2 ARG 11 -14.731 -1.929 -2.181
59 H HIS 12 H HIS 12 -7.572 -9.349 -1.729
60 HA HIS 12 HA HIS 12 -6.963 -7.180 0.168
61 HB2 HIS 12 1HB HIS 12 -6.661 -9.030 1.479
62 HB3 HIS 12 2HB HIS 12 -6.285 -10.072 0.110
63 HD1 HIS 12 HD1 HIS 12 -4.186 -11.028 1.241
64 HD2 HIS 12 HD2 HIS 12 -4.097 -6.904 0.747
65 HE1 HIS 12 HE1 HIS 12 -1.811 -10.346 1.709
66 H TYR 13 H TYR 13 -5.595 -5.692 -0.535
67 HA TYR 13 HA TYR 13 -3.717 -6.407 -2.686
68 HB2 TYR 13 1HB TYR 13 -4.710 -3.655 -1.918
69 HB3 TYR 13 2HB TYR 13 -3.710 -4.059 -3.309
70 HD1 TYR 13 HD2 TYR 13 -7.009 -4.993 -1.817
71 HD2 TYR 13 HD1 TYR 13 -4.753 -4.289 -5.355
72 HE1 TYR 13 HE2 TYR 13 -9.036 -5.328 -3.169
73 HE2 TYR 13 HE1 TYR 13 -6.774 -4.621 -6.717
74 HH TYR 13 HH TYR 13 -9.868 -4.632 -5.440
75 H GLU 14 H GLU 14 -1.839 -6.959 -1.754
76 HA GLU 14 HA GLU 14 -0.874 -5.604 0.611
77 HB2 GLU 14 1HB GLU 14 -0.593 -8.128 -0.144
78 HB3 GLU 14 2HB GLU 14 0.833 -7.489 -0.950
79 HG2 GLU 14 1HG GLU 14 1.804 -6.806 1.080
80 HG3 GLU 14 2HG GLU 14 0.293 -7.016 1.962
81 H CYS 15 H CYS 15 1.259 -4.627 0.724
82 HA CYS 15 HA CYS 15 1.763 -2.968 -1.617
83 HB2 CYS 15 1HB CYS 15 1.567 -1.871 0.566
84 HB3 CYS 15 2HB CYS 15 2.905 -2.835 1.182
85 H SER 16 H SER 16 3.188 -3.617 -3.076
86 HA SER 16 HA SER 16 5.008 -5.731 -2.696
87 HB2 SER 16 1HB SER 16 4.559 -3.683 -4.827
88 HB3 SER 16 2HB SER 16 6.052 -4.621 -4.862
89 HG SER 16 HG SER 16 4.926 -6.187 -5.665
90 H GLU 17 H GLU 17 5.159 -2.489 -1.747
91 HA GLU 17 HA GLU 17 8.025 -2.216 -1.866
92 HB2 GLU 17 1HB GLU 17 6.118 -0.376 -1.872
93 HB3 GLU 17 2HB GLU 17 6.340 -0.470 -0.131
94 HG2 GLU 17 1HG GLU 17 7.692 1.302 -0.976
95 HG3 GLU 17 2HG GLU 17 8.751 -0.010 -0.461
96 H CYS 18 H CYS 18 5.645 -2.469 0.777
97 HA CYS 18 HA CYS 18 7.817 -3.427 2.520
98 HB2 CYS 18 1HB CYS 18 6.376 -2.708 4.411
99 HB3 CYS 18 2HB CYS 18 6.833 -1.376 3.354
100 H GLY 19 H GLY 19 4.376 -3.891 1.753
101 HA2 GLY 19 1HA GLY 19 3.741 -6.249 1.290
102 HA3 GLY 19 2HA GLY 19 4.649 -6.666 2.736
103 H LYS 20 H LYS 20 2.846 -3.752 2.858
104 HA LYS 20 HA LYS 20 1.198 -4.768 4.967
105 HB2 LYS 20 1HB LYS 20 2.136 -2.381 4.675
106 HB3 LYS 20 2HB LYS 20 0.784 -2.131 3.578
107 HG2 LYS 20 1HG LYS 20 -0.750 -2.118 5.247
108 HG3 LYS 20 2HG LYS 20 0.163 -3.252 6.246
109 HD2 LYS 20 1HD LYS 20 1.851 -1.200 6.344
110 HD3 LYS 20 2HD LYS 20 0.364 -0.296 6.047
111 HE2 LYS 20 1HE LYS 20 0.688 -0.445 8.413
112 HE3 LYS 20 2HE LYS 20 -0.665 -1.488 7.977
113 HZ1 LYS 20 3HZ LYS 20 2.095 -2.294 8.685
114 HZ2 LYS 20 1HZ LYS 20 1.004 -3.351 7.941
115 HZ3 LYS 20 2HZ LYS 20 0.654 -2.711 9.466
116 H ALA 21 H ALA 21 -0.782 -5.607 4.850
117 HA ALA 21 HA ALA 21 -2.077 -5.778 2.247
118 HB1 ALA 21 3HB ALA 21 -1.786 -7.792 3.675
119 HB2 ALA 21 1HB ALA 21 -2.902 -7.077 4.838
120 HB3 ALA 21 2HB ALA 21 -3.460 -7.482 3.215
121 H PHE 22 H PHE 22 -4.077 -4.962 1.759
122 HA PHE 22 HA PHE 22 -5.415 -3.343 3.815
123 HB2 PHE 22 1HB PHE 22 -4.924 -2.492 0.953
124 HB3 PHE 22 2HB PHE 22 -5.847 -1.586 2.149
125 HD1 PHE 22 HD2 PHE 22 -2.510 -2.615 1.069
126 HD2 PHE 22 HD1 PHE 22 -4.743 -0.394 3.932
127 HE1 PHE 22 HE2 PHE 22 -0.448 -1.488 1.798
128 HE2 PHE 22 HE1 PHE 22 -2.685 0.738 4.665
129 HZ PHE 22 HZ PHE 22 -0.534 0.190 3.598
130 H ALA 23 H ALA 23 -7.662 -2.658 3.014
131 HA ALA 23 HA ALA 23 -8.959 -5.051 1.932
132 HB1 ALA 23 3HB ALA 23 -10.734 -4.592 3.243
133 HB2 ALA 23 1HB ALA 23 -9.561 -3.628 4.140
134 HB3 ALA 23 2HB ALA 23 -10.627 -2.854 2.967
135 H ARG 24 H ARG 24 -8.657 -1.582 1.389
136 HA ARG 24 HA ARG 24 -10.196 -1.870 -1.102
137 HB2 ARG 24 1HB ARG 24 -9.456 0.713 0.273
138 HB3 ARG 24 2HB ARG 24 -10.630 0.481 -1.016
139 HG2 ARG 24 1HG ARG 24 -12.051 0.619 0.743
140 HG3 ARG 24 2HG ARG 24 -11.734 -1.117 0.785
141 HD2 ARG 24 1HD ARG 24 -9.727 -0.328 2.329
142 HD3 ARG 24 2HD ARG 24 -10.808 1.036 2.611
143 HE ARG 24 HE ARG 24 -12.067 -1.532 2.917
144 HH11 ARG 24 1HH1 ARG 24 -10.221 0.965 4.491
145 HH12 ARG 24 2HH1 ARG 24 -10.753 0.536 6.083
146 HH21 ARG 24 1HH2 ARG 24 -12.774 -2.107 5.008
147 HH22 ARG 24 2HH2 ARG 24 -12.204 -1.212 6.376
148 H LYS 25 H LYS 25 -9.196 -1.685 -3.002
149 HA LYS 25 HA LYS 25 -6.459 -1.731 -3.318
150 HB2 LYS 25 1HB LYS 25 -7.891 -2.408 -5.119
151 HB3 LYS 25 2HB LYS 25 -8.608 -0.805 -5.225
152 HG2 LYS 25 1HG LYS 25 -6.813 0.080 -6.331
153 HG3 LYS 25 2HG LYS 25 -5.676 -1.084 -5.644
154 HD2 LYS 25 1HD LYS 25 -6.239 -2.730 -7.166
155 HD3 LYS 25 2HD LYS 25 -7.826 -2.029 -7.494
156 HE2 LYS 25 1HE LYS 25 -6.755 -0.173 -8.678
157 HE3 LYS 25 2HE LYS 25 -5.172 -0.875 -8.349
158 HZ1 LYS 25 3HZ LYS 25 -7.310 -2.226 -9.904
159 HZ2 LYS 25 1HZ LYS 25 -5.722 -2.767 -9.683
160 HZ3 LYS 25 2HZ LYS 25 -6.021 -1.374 -10.593
161 H SER 26 H SER 26 -8.616 1.080 -3.650
162 HA SER 26 HA SER 26 -6.694 2.981 -4.299
163 HB2 SER 26 1HB SER 26 -8.299 4.651 -3.440
164 HB3 SER 26 2HB SER 26 -9.098 3.433 -4.434
165 HG SER 26 HG SER 26 -9.051 3.587 -1.602
166 H THR 27 H THR 27 -7.885 2.008 -1.097
167 HA THR 27 HA THR 27 -6.548 3.761 0.525
168 HB THR 27 HB THR 27 -7.075 0.821 0.968
169 HG1 THR 27 HG1 THR 27 -8.831 1.617 2.134
170 HG21 THR 27 3HG2 THR 27 -5.854 0.886 2.828
171 HG22 THR 27 1HG2 THR 27 -6.836 2.224 3.423
172 HG23 THR 27 2HG2 THR 27 -5.384 2.549 2.476
173 H LEU 28 H LEU 28 -5.281 0.673 -0.716
174 HA LEU 28 HA LEU 28 -2.798 0.670 0.465
175 HB2 LEU 28 1HB LEU 28 -3.382 -1.236 -0.745
176 HB3 LEU 28 2HB LEU 28 -3.762 -0.310 -2.195
177 HG LEU 28 HG LEU 28 -1.357 0.105 -2.533
178 HD11 LEU 28 1HD1 LEU 28 0.307 -0.743 -1.174
179 HD12 LEU 28 2HD1 LEU 28 -0.759 -1.938 -0.435
180 HD13 LEU 28 3HD1 LEU 28 -0.909 -0.235 -0.001
181 HD21 LEU 28 3HD2 LEU 28 -1.256 -2.783 -2.324
182 HD22 LEU 28 1HD2 LEU 28 -1.260 -1.752 -3.755
183 HD23 LEU 28 2HD2 LEU 28 -2.785 -2.222 -3.003
184 H ILE 29 H ILE 29 -3.671 2.149 -2.654
185 HA ILE 29 HA ILE 29 -1.231 3.151 -3.416
186 HB ILE 29 HB ILE 29 -3.997 4.275 -3.771
187 HG12 ILE 29 1HG1 ILE 29 -3.227 3.703 -6.223
188 HG13 ILE 29 2HG1 ILE 29 -2.058 2.677 -5.400
189 HG21 ILE 29 1HG2 ILE 29 -2.753 5.677 -5.600
190 HG22 ILE 29 2HG2 ILE 29 -2.854 6.259 -3.939
191 HG23 ILE 29 3HG2 ILE 29 -1.377 5.486 -4.514
192 HD11 ILE 29 3HD1 ILE 29 -3.598 1.153 -4.874
193 HD12 ILE 29 1HD1 ILE 29 -4.795 2.369 -4.431
194 HD13 ILE 29 2HD1 ILE 29 -4.567 1.931 -6.124
195 H MET 30 H MET 30 -3.663 4.869 -1.449
196 HA MET 30 HA MET 30 -2.271 7.189 -0.951
197 HB2 MET 30 1HB MET 30 -3.919 5.816 1.163
198 HB3 MET 30 2HB MET 30 -3.704 7.542 0.905
199 HG2 MET 30 1HG MET 30 -5.299 5.608 -0.743
200 HG3 MET 30 2HG MET 30 -5.873 7.008 0.161
201 HE1 MET 30 3HE MET 30 -5.082 6.384 -3.920
202 HE2 MET 30 1HE MET 30 -6.130 5.754 -2.648
203 HE3 MET 30 2HE MET 30 -6.583 7.219 -3.518
204 H HIS 31 H HIS 31 -1.945 4.055 0.616
205 HA HIS 31 HA HIS 31 -0.221 4.922 2.699
206 HB2 HIS 31 1HB HIS 31 -1.147 2.885 3.222
207 HB3 HIS 31 2HB HIS 31 -1.052 2.295 1.566
208 HD1 HIS 31 HD1 HIS 31 0.887 2.498 4.741
209 HD2 HIS 31 HD2 HIS 31 1.387 1.075 0.870
210 HE1 HIS 31 HE1 HIS 31 2.948 1.059 4.815
211 H GLN 32 H GLN 32 0.479 3.069 -0.271
212 HA GLN 32 HA GLN 32 3.140 2.814 -0.228
213 HB2 GLN 32 1HB GLN 32 1.444 3.731 -2.548
214 HB3 GLN 32 2HB GLN 32 3.135 3.277 -2.720
215 HG2 GLN 32 1HG GLN 32 2.626 1.039 -1.901
216 HG3 GLN 32 2HG GLN 32 0.933 1.491 -1.707
217 HE21 GLN 32 1HE2 GLN 32 3.018 -0.085 -3.652
218 HE22 GLN 32 2HE2 GLN 32 2.178 0.034 -5.157
219 H ARG 33 H ARG 33 1.429 5.834 -0.535
220 HA ARG 33 HA ARG 33 3.312 7.550 -1.534
221 HB2 ARG 33 1HB ARG 33 1.310 7.952 0.685
222 HB3 ARG 33 2HB ARG 33 2.300 9.265 0.059
223 HG2 ARG 33 1HG ARG 33 1.298 9.128 -2.078
224 HG3 ARG 33 2HG ARG 33 0.521 7.592 -1.690
225 HD2 ARG 33 1HD ARG 33 -1.216 9.105 -1.463
226 HD3 ARG 33 2HD ARG 33 -0.640 8.932 0.194
227 HE ARG 33 HE ARG 33 -0.458 11.281 -1.481
228 HH11 ARG 33 1HH1 ARG 33 0.700 9.637 1.361
229 HH12 ARG 33 2HH1 ARG 33 1.268 11.084 2.126
230 HH21 ARG 33 1HH2 ARG 33 0.286 13.193 -0.485
231 HH22 ARG 33 2HH2 ARG 33 1.031 13.107 1.075
232 H ILE 34 H ILE 34 3.002 6.488 1.845
233 HA ILE 34 HA ILE 34 4.921 7.940 3.096
234 HB ILE 34 HB ILE 34 5.217 6.172 4.668
235 HG12 ILE 34 1HG1 ILE 34 4.016 4.298 2.618
236 HG13 ILE 34 2HG1 ILE 34 5.731 4.397 3.003
237 HG21 ILE 34 1HG2 ILE 34 2.432 5.696 3.673
238 HG22 ILE 34 2HG2 ILE 34 3.016 5.814 5.332
239 HG23 ILE 34 3HG2 ILE 34 2.910 7.261 4.330
240 HD11 ILE 34 3HD1 ILE 34 4.867 3.940 5.441
241 HD12 ILE 34 1HD1 ILE 34 3.493 3.250 4.577
242 HD13 ILE 34 2HD1 ILE 34 5.118 2.626 4.292
243 H HIS 35 H HIS 35 5.439 5.252 0.890
244 HA HIS 35 HA HIS 35 8.261 5.095 1.347
245 HB2 HIS 35 1HB HIS 35 6.582 4.018 -0.929
246 HB3 HIS 35 2HB HIS 35 8.266 3.602 -0.622
247 HD1 HIS 35 HD1 HIS 35 8.485 2.730 2.117
248 HD2 HIS 35 HD2 HIS 35 4.984 2.057 -0.017
249 HE1 HIS 35 HE1 HIS 35 7.326 0.841 3.305
250 H THR 36 H THR 36 6.449 6.007 -1.589
251 HA THR 36 HA THR 36 8.652 7.248 -2.837
252 HB THR 36 HB THR 36 6.775 6.480 -4.162
253 HG1 THR 36 HG1 THR 36 6.586 9.264 -4.467
254 HG21 THR 36 3HG2 THR 36 4.988 6.914 -2.536
255 HG22 THR 36 1HG2 THR 36 4.609 7.611 -4.110
256 HG23 THR 36 2HG2 THR 36 5.172 8.648 -2.800
257 H GLY 37 H GLY 37 9.514 9.217 -2.621
258 HA2 GLY 37 1HA GLY 37 8.237 11.613 -2.183
259 HA3 GLY 37 2HA GLY 37 8.571 10.981 -0.577
260 H GLU 38 H GLU 38 10.556 10.652 -3.487
261 HA GLU 38 HA GLU 38 12.746 11.958 -2.033
262 HB2 GLU 38 1HB GLU 38 12.732 10.068 -4.386
263 HB3 GLU 38 2HB GLU 38 14.178 10.902 -3.833
264 HG2 GLU 38 1HG GLU 38 12.554 9.210 -1.972
265 HG3 GLU 38 2HG GLU 38 13.769 8.504 -3.036
266 H LYS 39 H LYS 39 12.041 14.099 -2.452
267 HA LYS 39 HA LYS 39 12.582 14.977 -5.210
268 HB2 LYS 39 1HB LYS 39 10.863 16.712 -4.960
269 HB3 LYS 39 2HB LYS 39 10.177 15.100 -4.802
270 HG2 LYS 39 1HG LYS 39 10.019 15.324 -2.430
271 HG3 LYS 39 2HG LYS 39 10.921 16.841 -2.463
272 HD2 LYS 39 1HD LYS 39 8.783 17.650 -2.337
273 HD3 LYS 39 2HD LYS 39 8.973 17.564 -4.090
274 HE2 LYS 39 1HE LYS 39 7.844 15.270 -2.520
275 HE3 LYS 39 2HE LYS 39 6.826 16.610 -3.046
276 HZ1 LYS 39 3HZ LYS 39 7.789 14.403 -4.545
277 HZ2 LYS 39 1HZ LYS 39 8.278 15.855 -5.262
278 HZ3 LYS 39 2HZ LYS 39 6.637 15.564 -4.975
279 HA PRO 40 HA PRO 40 15.550 17.674 -3.396
280 HB2 PRO 40 1HB PRO 40 15.712 19.532 -5.368
281 HB3 PRO 40 2HB PRO 40 16.407 17.913 -5.514
282 HG2 PRO 40 1HG PRO 40 13.816 18.966 -6.584
283 HG3 PRO 40 2HG PRO 40 15.014 17.926 -7.376
284 HD2 PRO 40 1HD PRO 40 12.735 16.954 -6.286
285 HD3 PRO 40 2HD PRO 40 14.248 16.026 -6.321
286 H SER 41 H SER 41 15.627 19.497 -2.157
287 HA SER 41 HA SER 41 13.503 20.639 -1.003
288 HB2 SER 41 1HB SER 41 16.215 21.721 -1.622
289 HB3 SER 41 2HB SER 41 15.012 22.827 -0.961
290 HG SER 41 HG SER 41 15.711 20.334 0.203
291 H GLY 42 H GLY 42 11.736 21.610 -1.726
292 HA2 GLY 42 1HA GLY 42 11.594 22.704 -4.377
293 HA3 GLY 42 2HA GLY 42 10.299 22.675 -3.190
294 HA PRO 43 HA PRO 43 11.539 27.081 -3.694
295 HB2 PRO 43 1HB PRO 43 9.000 28.034 -3.576
296 HB3 PRO 43 2HB PRO 43 9.740 27.455 -5.073
297 HG2 PRO 43 1HG PRO 43 7.860 26.044 -3.219
298 HG3 PRO 43 2HG PRO 43 7.862 26.086 -4.992
299 HD2 PRO 43 1HD PRO 43 8.846 23.994 -3.583
300 HD3 PRO 43 2HD PRO 43 9.513 24.486 -5.153
301 H SER 44 H SER 44 9.074 25.701 -1.534
302 HA SER 44 HA SER 44 10.159 27.376 0.632
303 HB2 SER 44 1HB SER 44 7.852 27.481 1.576
304 HB3 SER 44 2HB SER 44 7.998 28.289 0.015
305 HG SER 44 HG SER 44 7.159 26.334 -0.927
306 H SER 45 H SER 45 11.218 26.046 1.946
307 HA SER 45 HA SER 45 10.434 23.280 2.247
308 HB2 SER 45 1HB SER 45 12.711 24.952 3.277
309 HB3 SER 45 2HB SER 45 12.400 23.349 3.944
310 HG SER 45 HG SER 45 13.757 23.888 1.799
311 H GLY 46 H GLY 46 8.423 23.363 3.265
312 HA2 GLY 46 1HA GLY 46 8.578 23.801 6.144
313 HA3 GLY 46 2HA GLY 46 7.401 24.770 5.271
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -0.999 -17.385 11.043
2 HA2 GLY 1 1HA GLY 1 -0.658 -20.282 10.624
3 HA3 GLY 1 2HA GLY 1 -0.604 -19.614 12.249
4 H SER 2 H SER 2 -2.668 -19.921 9.387
5 HA SER 2 HA SER 2 -4.941 -19.873 9.143
6 HB2 SER 2 1HB SER 2 -4.599 -22.087 10.178
7 HB3 SER 2 2HB SER 2 -4.787 -21.363 11.775
8 HG SER 2 HG SER 2 -6.813 -20.929 9.908
9 H SER 3 H SER 3 -3.994 -17.493 10.206
10 HA SER 3 HA SER 3 -5.361 -16.685 12.553
11 HB2 SER 3 1HB SER 3 -4.338 -14.954 10.289
12 HB3 SER 3 2HB SER 3 -4.721 -14.417 11.924
13 HG SER 3 HG SER 3 -3.074 -16.224 12.435
14 H GLY 4 H GLY 4 -7.495 -16.578 12.757
15 HA2 GLY 4 1HA GLY 4 -9.205 -16.250 10.446
16 HA3 GLY 4 2HA GLY 4 -9.726 -16.508 12.104
17 H SER 5 H SER 5 -7.889 -13.999 10.355
18 HA SER 5 HA SER 5 -8.992 -11.916 11.981
19 HB2 SER 5 1HB SER 5 -6.763 -11.613 11.133
20 HB3 SER 5 2HB SER 5 -7.305 -11.856 9.472
21 HG SER 5 HG SER 5 -7.361 -9.603 11.018
22 H SER 6 H SER 6 -9.251 -12.660 8.502
23 HA SER 6 HA SER 6 -12.046 -12.041 8.465
24 HB2 SER 6 1HB SER 6 -10.890 -9.766 8.448
25 HB3 SER 6 2HB SER 6 -10.287 -10.196 6.847
26 HG SER 6 HG SER 6 -12.997 -9.973 7.657
27 H GLY 7 H GLY 7 -13.061 -12.849 6.661
28 HA2 GLY 7 1HA GLY 7 -11.291 -14.111 4.657
29 HA3 GLY 7 2HA GLY 7 -12.749 -14.881 5.267
30 H THR 8 H THR 8 -14.470 -12.657 5.216
31 HA THR 8 HA THR 8 -15.604 -12.782 2.740
32 HB THR 8 HB THR 8 -16.733 -11.740 4.641
33 HG1 THR 8 HG1 THR 8 -17.871 -10.881 3.085
34 HG21 THR 8 3HG2 THR 8 -15.861 -9.077 4.543
35 HG22 THR 8 1HG2 THR 8 -14.397 -10.056 4.634
36 HG23 THR 8 2HG2 THR 8 -15.649 -10.224 5.865
37 H GLY 9 H GLY 9 -15.447 -11.724 0.801
38 HA2 GLY 9 1HA GLY 9 -14.490 -10.506 -0.893
39 HA3 GLY 9 2HA GLY 9 -13.972 -9.369 0.342
40 H GLU 10 H GLU 10 -12.961 -11.605 -1.942
41 HA GLU 10 HA GLU 10 -10.374 -12.047 -0.638
42 HB2 GLU 10 1HB GLU 10 -11.600 -13.268 -3.116
43 HB3 GLU 10 2HB GLU 10 -9.974 -13.619 -2.545
44 HG2 GLU 10 1HG GLU 10 -10.857 -14.547 -0.495
45 HG3 GLU 10 2HG GLU 10 -12.497 -14.121 -0.983
46 H ARG 11 H ARG 11 -10.798 -9.436 -1.373
47 HA ARG 11 HA ARG 11 -9.031 -9.139 -3.714
48 HB2 ARG 11 1HB ARG 11 -11.165 -7.207 -2.788
49 HB3 ARG 11 2HB ARG 11 -10.120 -7.006 -4.188
50 HG2 ARG 11 1HG ARG 11 -11.993 -7.785 -5.212
51 HG3 ARG 11 2HG ARG 11 -11.181 -9.316 -4.882
52 HD2 ARG 11 1HD ARG 11 -12.524 -9.118 -2.611
53 HD3 ARG 11 2HD ARG 11 -13.582 -8.118 -3.604
54 HE ARG 11 HE ARG 11 -12.924 -10.660 -4.782
55 HH11 ARG 11 1HH1 ARG 11 -15.096 -8.945 -2.670
56 HH12 ARG 11 2HH1 ARG 11 -16.395 -10.072 -2.877
57 HH21 ARG 11 1HH2 ARG 11 -14.627 -12.151 -5.063
58 HH22 ARG 11 2HH2 ARG 11 -16.127 -11.895 -4.238
59 H HIS 12 H HIS 12 -7.699 -9.515 -1.494
60 HA HIS 12 HA HIS 12 -7.189 -6.964 -0.177
61 HB2 HIS 12 1HB HIS 12 -7.286 -9.400 0.889
62 HB3 HIS 12 2HB HIS 12 -5.584 -9.401 0.435
63 HD1 HIS 12 HD1 HIS 12 -7.704 -8.559 3.166
64 HD2 HIS 12 HD2 HIS 12 -4.259 -6.912 1.529
65 HE1 HIS 12 HE1 HIS 12 -6.731 -7.104 4.972
66 H TYR 13 H TYR 13 -5.745 -5.608 -0.986
67 HA TYR 13 HA TYR 13 -3.638 -6.644 -2.742
68 HB2 TYR 13 1HB TYR 13 -4.520 -3.781 -2.329
69 HB3 TYR 13 2HB TYR 13 -3.409 -4.368 -3.561
70 HD1 TYR 13 HD2 TYR 13 -6.901 -4.960 -2.365
71 HD2 TYR 13 HD1 TYR 13 -4.244 -4.743 -5.681
72 HE1 TYR 13 HE2 TYR 13 -8.794 -5.305 -3.898
73 HE2 TYR 13 HE1 TYR 13 -6.129 -5.087 -7.222
74 HH TYR 13 HH TYR 13 -9.379 -5.767 -6.026
75 H GLU 14 H GLU 14 -1.563 -6.646 -2.153
76 HA GLU 14 HA GLU 14 -0.866 -5.410 0.417
77 HB2 GLU 14 1HB GLU 14 -0.493 -7.945 -0.253
78 HB3 GLU 14 2HB GLU 14 0.964 -7.298 -0.994
79 HG2 GLU 14 1HG GLU 14 1.836 -6.594 1.052
80 HG3 GLU 14 2HG GLU 14 0.273 -6.708 1.859
81 H CYS 15 H CYS 15 1.235 -4.385 0.632
82 HA CYS 15 HA CYS 15 1.827 -2.741 -1.690
83 HB2 CYS 15 1HB CYS 15 1.560 -1.664 0.500
84 HB3 CYS 15 2HB CYS 15 2.897 -2.615 1.137
85 H SER 16 H SER 16 3.264 -3.437 -3.119
86 HA SER 16 HA SER 16 5.116 -5.510 -2.644
87 HB2 SER 16 1HB SER 16 5.060 -3.437 -4.851
88 HB3 SER 16 2HB SER 16 6.051 -4.896 -4.858
89 HG SER 16 HG SER 16 3.705 -5.801 -4.388
90 H GLU 17 H GLU 17 5.169 -2.367 -1.590
91 HA GLU 17 HA GLU 17 8.028 -1.949 -1.805
92 HB2 GLU 17 1HB GLU 17 6.116 -0.160 -1.821
93 HB3 GLU 17 2HB GLU 17 6.229 -0.295 -0.072
94 HG2 GLU 17 1HG GLU 17 7.576 1.540 -1.212
95 HG3 GLU 17 2HG GLU 17 8.402 0.534 -0.024
96 H CYS 18 H CYS 18 5.688 -2.326 0.859
97 HA CYS 18 HA CYS 18 7.917 -3.206 2.573
98 HB2 CYS 18 1HB CYS 18 6.444 -2.570 4.483
99 HB3 CYS 18 2HB CYS 18 6.882 -1.212 3.453
100 H GLY 19 H GLY 19 4.474 -3.786 1.881
101 HA2 GLY 19 1HA GLY 19 3.994 -6.206 1.389
102 HA3 GLY 19 2HA GLY 19 4.845 -6.538 2.891
103 H LYS 20 H LYS 20 2.999 -3.691 2.974
104 HA LYS 20 HA LYS 20 1.255 -4.749 4.967
105 HB2 LYS 20 1HB LYS 20 2.135 -2.344 4.732
106 HB3 LYS 20 2HB LYS 20 0.860 -2.127 3.541
107 HG2 LYS 20 1HG LYS 20 -0.815 -2.263 5.103
108 HG3 LYS 20 2HG LYS 20 0.164 -3.207 6.229
109 HD2 LYS 20 1HD LYS 20 1.612 -1.047 6.357
110 HD3 LYS 20 2HD LYS 20 0.166 -0.258 5.722
111 HE2 LYS 20 1HE LYS 20 -0.141 -2.102 8.033
112 HE3 LYS 20 2HE LYS 20 0.592 -0.525 8.323
113 HZ1 LYS 20 3HZ LYS 20 -2.115 -1.117 7.284
114 HZ2 LYS 20 1HZ LYS 20 -1.409 0.412 7.126
115 HZ3 LYS 20 2HZ LYS 20 -1.692 -0.234 8.664
116 H ALA 21 H ALA 21 -0.700 -5.632 4.761
117 HA ALA 21 HA ALA 21 -1.858 -5.853 2.098
118 HB1 ALA 21 3HB ALA 21 -1.566 -7.711 3.988
119 HB2 ALA 21 1HB ALA 21 -3.173 -7.129 4.423
120 HB3 ALA 21 2HB ALA 21 -2.871 -7.757 2.803
121 H PHE 22 H PHE 22 -3.814 -5.041 1.487
122 HA PHE 22 HA PHE 22 -5.325 -3.486 3.472
123 HB2 PHE 22 1HB PHE 22 -4.666 -2.575 0.663
124 HB3 PHE 22 2HB PHE 22 -5.672 -1.706 1.817
125 HD1 PHE 22 HD1 PHE 22 -4.654 -0.733 3.851
126 HD2 PHE 22 HD2 PHE 22 -2.303 -2.464 0.754
127 HE1 PHE 22 HE1 PHE 22 -2.662 0.414 4.728
128 HE2 PHE 22 HE2 PHE 22 -0.307 -1.321 1.626
129 HZ PHE 22 HZ PHE 22 -0.484 0.119 3.616
130 H ALA 23 H ALA 23 -7.562 -3.223 3.018
131 HA ALA 23 HA ALA 23 -8.719 -5.498 1.701
132 HB1 ALA 23 3HB ALA 23 -10.434 -3.256 2.607
133 HB2 ALA 23 1HB ALA 23 -10.636 -4.996 2.813
134 HB3 ALA 23 2HB ALA 23 -9.497 -4.114 3.831
135 H ARG 24 H ARG 24 -8.688 -1.994 1.143
136 HA ARG 24 HA ARG 24 -9.998 -2.413 -1.446
137 HB2 ARG 24 1HB ARG 24 -9.356 0.244 -0.177
138 HB3 ARG 24 2HB ARG 24 -10.522 -0.098 -1.448
139 HG2 ARG 24 1HG ARG 24 -12.096 -0.872 0.008
140 HG3 ARG 24 2HG ARG 24 -10.899 -1.417 1.184
141 HD2 ARG 24 1HD ARG 24 -10.685 0.659 2.133
142 HD3 ARG 24 2HD ARG 24 -11.139 1.500 0.651
143 HE ARG 24 HE ARG 24 -12.904 0.539 2.719
144 HH11 ARG 24 1HH1 ARG 24 -12.620 1.535 -0.605
145 HH12 ARG 24 2HH1 ARG 24 -14.296 1.946 -0.761
146 HH21 ARG 24 1HH2 ARG 24 -15.112 1.076 2.525
147 HH22 ARG 24 2HH2 ARG 24 -15.713 1.685 1.020
148 H LYS 25 H LYS 25 -9.132 -1.481 -3.361
149 HA LYS 25 HA LYS 25 -6.334 -1.822 -3.639
150 HB2 LYS 25 1HB LYS 25 -7.813 -2.273 -5.500
151 HB3 LYS 25 2HB LYS 25 -8.384 -0.610 -5.500
152 HG2 LYS 25 1HG LYS 25 -6.884 -0.710 -7.277
153 HG3 LYS 25 2HG LYS 25 -5.961 0.039 -5.972
154 HD2 LYS 25 1HD LYS 25 -5.028 -2.210 -5.435
155 HD3 LYS 25 2HD LYS 25 -5.844 -2.840 -6.868
156 HE2 LYS 25 1HE LYS 25 -3.982 -0.497 -7.048
157 HE3 LYS 25 2HE LYS 25 -3.366 -2.149 -7.054
158 HZ1 LYS 25 3HZ LYS 25 -4.728 -2.620 -8.985
159 HZ2 LYS 25 1HZ LYS 25 -3.709 -1.306 -9.296
160 HZ3 LYS 25 2HZ LYS 25 -5.348 -1.046 -8.972
161 H SER 26 H SER 26 -8.402 1.069 -3.675
162 HA SER 26 HA SER 26 -6.413 2.964 -4.146
163 HB2 SER 26 1HB SER 26 -8.481 3.937 -4.306
164 HB3 SER 26 2HB SER 26 -9.138 3.012 -2.956
165 HG SER 26 HG SER 26 -8.676 5.396 -2.704
166 H THR 27 H THR 27 -7.827 2.047 -1.001
167 HA THR 27 HA THR 27 -6.434 3.483 0.768
168 HB THR 27 HB THR 27 -7.052 0.538 0.893
169 HG1 THR 27 HG1 THR 27 -8.556 1.460 2.515
170 HG21 THR 27 3HG2 THR 27 -5.387 0.497 2.456
171 HG22 THR 27 1HG2 THR 27 -6.697 1.101 3.469
172 HG23 THR 27 2HG2 THR 27 -5.514 2.223 2.797
173 H LEU 28 H LEU 28 -5.141 0.601 -0.856
174 HA LEU 28 HA LEU 28 -2.641 0.566 0.406
175 HB2 LEU 28 1HB LEU 28 -3.251 -1.358 -0.779
176 HB3 LEU 28 2HB LEU 28 -3.626 -0.444 -2.239
177 HG LEU 28 HG LEU 28 -1.241 -0.057 -2.613
178 HD11 LEU 28 1HD1 LEU 28 -0.669 -0.161 -0.151
179 HD12 LEU 28 2HD1 LEU 28 0.454 -0.962 -1.249
180 HD13 LEU 28 3HD1 LEU 28 -0.698 -1.917 -0.315
181 HD21 LEU 28 3HD2 LEU 28 -2.608 -2.299 -3.152
182 HD22 LEU 28 1HD2 LEU 28 -1.312 -2.976 -2.166
183 HD23 LEU 28 2HD2 LEU 28 -0.924 -2.058 -3.620
184 H ILE 29 H ILE 29 -3.689 2.128 -2.602
185 HA ILE 29 HA ILE 29 -1.236 3.124 -3.447
186 HB ILE 29 HB ILE 29 -4.050 4.082 -3.825
187 HG12 ILE 29 1HG1 ILE 29 -3.286 3.636 -6.258
188 HG13 ILE 29 2HG1 ILE 29 -1.915 2.813 -5.523
189 HG21 ILE 29 1HG2 ILE 29 -2.976 6.155 -3.818
190 HG22 ILE 29 2HG2 ILE 29 -1.530 5.512 -4.595
191 HG23 ILE 29 3HG2 ILE 29 -3.017 5.705 -5.522
192 HD11 ILE 29 3HD1 ILE 29 -4.741 2.112 -4.820
193 HD12 ILE 29 1HD1 ILE 29 -3.912 1.400 -6.204
194 HD13 ILE 29 2HD1 ILE 29 -3.274 1.165 -4.576
195 H MET 30 H MET 30 -3.670 4.694 -1.374
196 HA MET 30 HA MET 30 -2.348 7.097 -0.947
197 HB2 MET 30 1HB MET 30 -3.955 5.705 1.186
198 HB3 MET 30 2HB MET 30 -3.789 7.433 0.903
199 HG2 MET 30 1HG MET 30 -5.396 5.424 -0.620
200 HG3 MET 30 2HG MET 30 -5.920 6.928 0.134
201 HE1 MET 30 3HE MET 30 -6.647 6.583 -3.459
202 HE2 MET 30 1HE MET 30 -5.069 5.974 -3.957
203 HE3 MET 30 2HE MET 30 -5.910 5.231 -2.596
204 H HIS 31 H HIS 31 -2.006 4.004 0.722
205 HA HIS 31 HA HIS 31 -0.272 4.930 2.759
206 HB2 HIS 31 1HB HIS 31 -1.161 2.892 3.330
207 HB3 HIS 31 2HB HIS 31 -1.077 2.272 1.684
208 HD1 HIS 31 HD1 HIS 31 0.761 2.360 4.879
209 HD2 HIS 31 HD2 HIS 31 1.499 1.260 0.942
210 HE1 HIS 31 HE1 HIS 31 2.871 0.994 4.948
211 H GLN 32 H GLN 32 0.384 3.199 -0.286
212 HA GLN 32 HA GLN 32 3.061 2.893 -0.240
213 HB2 GLN 32 1HB GLN 32 1.369 3.879 -2.537
214 HB3 GLN 32 2HB GLN 32 3.046 3.381 -2.717
215 HG2 GLN 32 1HG GLN 32 2.447 1.148 -1.876
216 HG3 GLN 32 2HG GLN 32 0.762 1.658 -1.784
217 HE21 GLN 32 1HE2 GLN 32 2.214 -0.413 -3.395
218 HE22 GLN 32 2HE2 GLN 32 1.737 -0.106 -5.027
219 H ARG 33 H ARG 33 1.366 5.911 -0.339
220 HA ARG 33 HA ARG 33 3.273 7.640 -1.349
221 HB2 ARG 33 1HB ARG 33 1.393 8.163 0.961
222 HB3 ARG 33 2HB ARG 33 2.192 9.389 -0.015
223 HG2 ARG 33 1HG ARG 33 0.940 8.748 -1.955
224 HG3 ARG 33 2HG ARG 33 0.248 7.366 -1.103
225 HD2 ARG 33 1HD ARG 33 -1.384 9.126 -1.169
226 HD3 ARG 33 2HD ARG 33 -0.811 8.948 0.490
227 HE ARG 33 HE ARG 33 0.781 10.893 -0.512
228 HH11 ARG 33 1HH1 ARG 33 -2.669 10.440 -0.402
229 HH12 ARG 33 2HH1 ARG 33 -3.021 12.135 -0.345
230 HH21 ARG 33 1HH2 ARG 33 0.331 13.127 -0.437
231 HH22 ARG 33 2HH2 ARG 33 -1.314 13.663 -0.366
232 H ILE 34 H ILE 34 2.911 6.445 1.972
233 HA ILE 34 HA ILE 34 4.793 7.899 3.307
234 HB ILE 34 HB ILE 34 5.032 6.113 4.858
235 HG12 ILE 34 1HG1 ILE 34 3.967 4.276 2.702
236 HG13 ILE 34 2HG1 ILE 34 5.640 4.353 3.244
237 HG21 ILE 34 1HG2 ILE 34 2.840 5.833 5.481
238 HG22 ILE 34 2HG2 ILE 34 2.691 7.169 4.340
239 HG23 ILE 34 3HG2 ILE 34 2.297 5.527 3.831
240 HD11 ILE 34 3HD1 ILE 34 4.688 2.481 4.296
241 HD12 ILE 34 1HD1 ILE 34 4.787 3.732 5.535
242 HD13 ILE 34 2HD1 ILE 34 3.243 3.379 4.760
243 H HIS 35 H HIS 35 5.339 5.362 0.964
244 HA HIS 35 HA HIS 35 8.158 5.147 1.510
245 HB2 HIS 35 1HB HIS 35 6.469 4.099 -0.769
246 HB3 HIS 35 2HB HIS 35 8.178 3.735 -0.550
247 HD1 HIS 35 HD1 HIS 35 8.579 2.752 2.109
248 HD2 HIS 35 HD2 HIS 35 4.954 2.093 0.189
249 HE1 HIS 35 HE1 HIS 35 7.535 0.797 3.297
250 H THR 36 H THR 36 6.457 6.045 -1.493
251 HA THR 36 HA THR 36 8.649 7.316 -2.677
252 HB THR 36 HB THR 36 6.743 6.627 -4.011
253 HG1 THR 36 HG1 THR 36 8.026 8.483 -4.682
254 HG21 THR 36 3HG2 THR 36 5.101 8.909 -3.003
255 HG22 THR 36 1HG2 THR 36 5.114 7.392 -2.105
256 HG23 THR 36 2HG2 THR 36 4.586 7.417 -3.788
257 H GLY 37 H GLY 37 9.461 8.558 -0.825
258 HA2 GLY 37 1HA GLY 37 8.774 11.310 -1.061
259 HA3 GLY 37 2HA GLY 37 8.155 10.643 0.443
260 H GLU 38 H GLU 38 10.070 9.009 1.336
261 HA GLU 38 HA GLU 38 11.828 10.444 2.734
262 HB2 GLU 38 1HB GLU 38 12.112 7.729 1.506
263 HB3 GLU 38 2HB GLU 38 13.472 8.426 2.375
264 HG2 GLU 38 1HG GLU 38 11.779 8.807 4.277
265 HG3 GLU 38 2HG GLU 38 10.782 7.639 3.412
266 H LYS 39 H LYS 39 13.826 11.391 2.533
267 HA LYS 39 HA LYS 39 14.538 12.300 -0.096
268 HB2 LYS 39 1HB LYS 39 15.879 12.727 2.580
269 HB3 LYS 39 2HB LYS 39 16.329 13.544 1.089
270 HG2 LYS 39 1HG LYS 39 13.504 13.727 1.980
271 HG3 LYS 39 2HG LYS 39 14.721 14.655 2.859
272 HD2 LYS 39 1HD LYS 39 14.470 14.743 -0.138
273 HD3 LYS 39 2HD LYS 39 13.570 15.830 0.922
274 HE2 LYS 39 1HE LYS 39 15.806 16.458 1.938
275 HE3 LYS 39 2HE LYS 39 16.552 15.598 0.592
276 HZ1 LYS 39 3HZ LYS 39 16.419 17.890 0.027
277 HZ2 LYS 39 1HZ LYS 39 14.780 17.972 0.437
278 HZ3 LYS 39 2HZ LYS 39 15.270 17.079 -0.912
279 HA PRO 40 HA PRO 40 17.511 9.219 -1.119
280 HB2 PRO 40 1HB PRO 40 19.013 10.637 -2.881
281 HB3 PRO 40 2HB PRO 40 17.396 10.033 -3.264
282 HG2 PRO 40 1HG PRO 40 18.241 12.775 -2.408
283 HG3 PRO 40 2HG PRO 40 17.089 12.302 -3.671
284 HD2 PRO 40 1HD PRO 40 16.301 13.134 -1.217
285 HD3 PRO 40 2HD PRO 40 15.389 11.937 -2.158
286 H SER 41 H SER 41 20.040 9.185 -1.526
287 HA SER 41 HA SER 41 21.261 9.705 0.954
288 HB2 SER 41 1HB SER 41 22.048 7.916 -0.506
289 HB3 SER 41 2HB SER 41 22.522 9.093 -1.730
290 HG SER 41 HG SER 41 23.823 8.314 0.548
291 H GLY 42 H GLY 42 23.138 11.069 1.370
292 HA2 GLY 42 1HA GLY 42 22.866 13.657 -0.013
293 HA3 GLY 42 2HA GLY 42 23.435 13.447 1.637
294 HA PRO 43 HA PRO 43 26.974 13.703 -1.529
295 HB2 PRO 43 1HB PRO 43 27.830 16.212 -0.944
296 HB3 PRO 43 2HB PRO 43 26.627 15.875 -2.194
297 HG2 PRO 43 1HG PRO 43 26.223 16.810 0.621
298 HG3 PRO 43 2HG PRO 43 25.426 17.359 -0.865
299 HD2 PRO 43 1HD PRO 43 24.259 15.630 0.861
300 HD3 PRO 43 2HD PRO 43 23.965 15.576 -0.889
301 H SER 44 H SER 44 28.658 12.646 -0.710
302 HA SER 44 HA SER 44 29.307 12.748 2.081
303 HB2 SER 44 1HB SER 44 31.139 11.178 1.450
304 HB3 SER 44 2HB SER 44 29.553 10.652 0.885
305 HG SER 44 HG SER 44 31.742 11.607 -0.567
306 H SER 45 H SER 45 31.551 13.135 2.844
307 HA SER 45 HA SER 45 32.393 15.739 2.156
308 HB2 SER 45 1HB SER 45 33.519 13.567 3.898
309 HB3 SER 45 2HB SER 45 34.458 15.026 3.583
310 HG SER 45 HG SER 45 33.310 15.883 5.110
311 H GLY 46 H GLY 46 33.390 16.291 0.338
312 HA2 GLY 46 1HA GLY 46 35.245 16.366 -1.098
313 HA3 GLY 46 2HA GLY 46 35.743 14.789 -0.502
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -0.468 -27.945 -5.440
2 HA2 GLY 1 1HA GLY 1 -0.182 -28.643 -2.821
3 HA3 GLY 1 2HA GLY 1 1.363 -27.907 -3.220
4 H SER 2 H SER 2 -2.036 -27.369 -2.722
5 HA SER 2 HA SER 2 -1.509 -24.547 -2.267
6 HB2 SER 2 1HB SER 2 -2.101 -24.487 -4.601
7 HB3 SER 2 2HB SER 2 -3.500 -25.524 -4.325
8 HG SER 2 HG SER 2 -4.485 -23.869 -3.207
9 H SER 3 H SER 3 -2.469 -23.980 -0.438
10 HA SER 3 HA SER 3 -3.866 -25.491 1.276
11 HB2 SER 3 1HB SER 3 -4.807 -23.452 2.258
12 HB3 SER 3 2HB SER 3 -3.133 -23.187 1.769
13 HG SER 3 HG SER 3 -4.575 -21.483 1.140
14 H GLY 4 H GLY 4 -5.310 -23.640 -1.382
15 HA2 GLY 4 1HA GLY 4 -7.188 -25.138 -2.377
16 HA3 GLY 4 2HA GLY 4 -7.912 -24.872 -0.798
17 H SER 5 H SER 5 -6.818 -23.271 -3.743
18 HA SER 5 HA SER 5 -8.562 -20.992 -3.074
19 HB2 SER 5 1HB SER 5 -6.141 -20.456 -3.370
20 HB3 SER 5 2HB SER 5 -6.252 -21.036 -5.031
21 HG SER 5 HG SER 5 -6.514 -18.722 -4.757
22 H SER 6 H SER 6 -10.409 -22.144 -3.862
23 HA SER 6 HA SER 6 -10.468 -22.730 -6.723
24 HB2 SER 6 1HB SER 6 -11.416 -24.347 -5.044
25 HB3 SER 6 2HB SER 6 -12.665 -23.155 -4.687
26 HG SER 6 HG SER 6 -13.347 -23.301 -6.839
27 H GLY 7 H GLY 7 -12.613 -21.050 -4.410
28 HA2 GLY 7 1HA GLY 7 -13.378 -19.241 -6.613
29 HA3 GLY 7 2HA GLY 7 -14.420 -19.653 -5.259
30 H THR 8 H THR 8 -12.682 -17.222 -6.508
31 HA THR 8 HA THR 8 -11.137 -16.163 -4.463
32 HB THR 8 HB THR 8 -11.569 -13.939 -5.478
33 HG1 THR 8 HG1 THR 8 -13.822 -15.014 -6.224
34 HG21 THR 8 3HG2 THR 8 -11.052 -14.916 -7.956
35 HG22 THR 8 1HG2 THR 8 -10.667 -16.318 -6.960
36 HG23 THR 8 2HG2 THR 8 -9.849 -14.782 -6.674
37 H GLY 9 H GLY 9 -11.714 -14.071 -3.260
38 HA2 GLY 9 1HA GLY 9 -14.442 -13.705 -2.463
39 HA3 GLY 9 2HA GLY 9 -13.510 -14.567 -1.248
40 H GLU 10 H GLU 10 -11.609 -13.505 -0.367
41 HA GLU 10 HA GLU 10 -12.093 -10.657 -0.041
42 HB2 GLU 10 1HB GLU 10 -10.246 -12.589 1.362
43 HB3 GLU 10 2HB GLU 10 -10.287 -10.867 1.711
44 HG2 GLU 10 1HG GLU 10 -11.608 -11.940 3.349
45 HG3 GLU 10 2HG GLU 10 -12.715 -11.120 2.250
46 H ARG 11 H ARG 11 -11.216 -9.348 -1.505
47 HA ARG 11 HA ARG 11 -8.685 -10.045 -2.769
48 HB2 ARG 11 1HB ARG 11 -10.803 -7.985 -3.311
49 HB3 ARG 11 2HB ARG 11 -9.213 -7.853 -4.050
50 HG2 ARG 11 1HG ARG 11 -9.490 -9.856 -5.252
51 HG3 ARG 11 2HG ARG 11 -10.889 -10.331 -4.287
52 HD2 ARG 11 1HD ARG 11 -10.769 -7.970 -6.162
53 HD3 ARG 11 2HD ARG 11 -11.528 -9.522 -6.519
54 HE ARG 11 HE ARG 11 -12.511 -8.176 -4.153
55 HH11 ARG 11 1HH1 ARG 11 -12.888 -8.715 -7.572
56 HH12 ARG 11 2HH1 ARG 11 -14.557 -8.252 -7.594
57 HH21 ARG 11 1HH2 ARG 11 -14.709 -7.563 -4.169
58 HH22 ARG 11 2HH2 ARG 11 -15.592 -7.596 -5.658
59 H HIS 12 H HIS 12 -7.157 -9.694 -1.176
60 HA HIS 12 HA HIS 12 -6.977 -6.982 -0.063
61 HB2 HIS 12 1HB HIS 12 -5.529 -7.907 1.637
62 HB3 HIS 12 2HB HIS 12 -6.985 -8.893 1.534
63 HD1 HIS 12 HD1 HIS 12 -6.713 -11.246 0.338
64 HD2 HIS 12 HD2 HIS 12 -3.171 -9.242 1.178
65 HE1 HIS 12 HE1 HIS 12 -4.897 -12.974 0.132
66 H TYR 13 H TYR 13 -5.744 -5.654 -1.215
67 HA TYR 13 HA TYR 13 -3.625 -6.660 -2.906
68 HB2 TYR 13 1HB TYR 13 -4.623 -3.855 -2.380
69 HB3 TYR 13 2HB TYR 13 -3.356 -4.255 -3.534
70 HD1 TYR 13 HD2 TYR 13 -6.851 -5.315 -2.716
71 HD2 TYR 13 HD1 TYR 13 -3.981 -4.467 -5.741
72 HE1 TYR 13 HE2 TYR 13 -8.558 -5.717 -4.440
73 HE2 TYR 13 HE1 TYR 13 -5.681 -4.865 -7.474
74 HH TYR 13 HH TYR 13 -9.045 -5.566 -6.620
75 H GLU 14 H GLU 14 -1.589 -6.901 -2.290
76 HA GLU 14 HA GLU 14 -0.705 -5.718 0.225
77 HB2 GLU 14 1HB GLU 14 -0.368 -8.202 -0.634
78 HB3 GLU 14 2HB GLU 14 1.045 -7.499 -1.408
79 HG2 GLU 14 1HG GLU 14 2.102 -7.086 0.572
80 HG3 GLU 14 2HG GLU 14 0.595 -6.946 1.475
81 H CYS 15 H CYS 15 1.458 -4.757 0.365
82 HA CYS 15 HA CYS 15 1.964 -3.051 -1.964
83 HB2 CYS 15 1HB CYS 15 1.554 -1.860 0.111
84 HB3 CYS 15 2HB CYS 15 2.816 -2.780 0.925
85 H SER 16 H SER 16 3.501 -3.722 -3.298
86 HA SER 16 HA SER 16 5.396 -5.703 -2.726
87 HB2 SER 16 1HB SER 16 4.624 -4.983 -5.017
88 HB3 SER 16 2HB SER 16 5.667 -3.570 -4.854
89 HG SER 16 HG SER 16 6.493 -5.620 -5.915
90 H GLU 17 H GLU 17 5.343 -2.399 -1.910
91 HA GLU 17 HA GLU 17 8.164 -1.958 -1.800
92 HB2 GLU 17 1HB GLU 17 6.134 -0.263 -1.846
93 HB3 GLU 17 2HB GLU 17 6.266 -0.403 -0.099
94 HG2 GLU 17 1HG GLU 17 7.509 1.510 -1.090
95 HG3 GLU 17 2HG GLU 17 8.493 0.419 -0.116
96 H CYS 18 H CYS 18 5.687 -2.557 0.688
97 HA CYS 18 HA CYS 18 7.845 -3.459 2.482
98 HB2 CYS 18 1HB CYS 18 6.360 -2.792 4.365
99 HB3 CYS 18 2HB CYS 18 6.856 -1.434 3.359
100 H GLY 19 H GLY 19 4.417 -3.904 1.648
101 HA2 GLY 19 1HA GLY 19 3.852 -6.289 1.116
102 HA3 GLY 19 2HA GLY 19 4.649 -6.681 2.631
103 H LYS 20 H LYS 20 2.922 -3.767 2.743
104 HA LYS 20 HA LYS 20 1.108 -4.757 4.687
105 HB2 LYS 20 1HB LYS 20 2.047 -2.347 4.311
106 HB3 LYS 20 2HB LYS 20 0.672 -2.172 3.229
107 HG2 LYS 20 1HG LYS 20 -0.851 -2.221 4.926
108 HG3 LYS 20 2HG LYS 20 0.176 -3.209 5.968
109 HD2 LYS 20 1HD LYS 20 1.684 -1.207 6.198
110 HD3 LYS 20 2HD LYS 20 0.437 -0.266 5.375
111 HE2 LYS 20 1HE LYS 20 -0.363 -1.913 7.716
112 HE3 LYS 20 2HE LYS 20 0.552 -0.437 8.016
113 HZ1 LYS 20 3HZ LYS 20 -1.128 0.877 7.213
114 HZ2 LYS 20 1HZ LYS 20 -2.025 -0.372 7.918
115 HZ3 LYS 20 2HZ LYS 20 -1.789 -0.342 6.244
116 H ALA 21 H ALA 21 -0.816 -5.683 4.444
117 HA ALA 21 HA ALA 21 -1.970 -5.857 1.771
118 HB1 ALA 21 3HB ALA 21 -2.064 -7.482 4.209
119 HB2 ALA 21 1HB ALA 21 -3.595 -7.367 3.340
120 HB3 ALA 21 2HB ALA 21 -2.155 -7.965 2.515
121 H PHE 22 H PHE 22 -3.757 -4.815 1.144
122 HA PHE 22 HA PHE 22 -5.374 -3.467 3.205
123 HB2 PHE 22 1HB PHE 22 -4.617 -2.398 0.478
124 HB3 PHE 22 2HB PHE 22 -5.720 -1.613 1.602
125 HD1 PHE 22 HD1 PHE 22 -4.867 -0.698 3.732
126 HD2 PHE 22 HD2 PHE 22 -2.266 -2.244 0.738
127 HE1 PHE 22 HE1 PHE 22 -2.969 0.457 4.789
128 HE2 PHE 22 HE2 PHE 22 -0.364 -1.092 1.791
129 HZ PHE 22 HZ PHE 22 -0.714 0.260 3.819
130 H ALA 23 H ALA 23 -7.601 -3.246 2.779
131 HA ALA 23 HA ALA 23 -8.727 -5.426 1.305
132 HB1 ALA 23 3HB ALA 23 -9.554 -4.180 3.485
133 HB2 ALA 23 1HB ALA 23 -10.444 -3.218 2.305
134 HB3 ALA 23 2HB ALA 23 -10.684 -4.964 2.381
135 H ARG 24 H ARG 24 -8.804 -1.888 0.949
136 HA ARG 24 HA ARG 24 -10.007 -2.202 -1.703
137 HB2 ARG 24 1HB ARG 24 -9.499 0.355 -0.176
138 HB3 ARG 24 2HB ARG 24 -10.505 0.153 -1.605
139 HG2 ARG 24 1HG ARG 24 -12.234 -0.755 -0.434
140 HG3 ARG 24 2HG ARG 24 -11.180 -1.445 0.801
141 HD2 ARG 24 1HD ARG 24 -10.967 0.590 1.926
142 HD3 ARG 24 2HD ARG 24 -11.515 1.521 0.532
143 HE ARG 24 HE ARG 24 -13.688 0.064 1.120
144 HH11 ARG 24 1HH1 ARG 24 -11.576 1.998 3.100
145 HH12 ARG 24 2HH1 ARG 24 -12.815 2.424 4.234
146 HH21 ARG 24 1HH2 ARG 24 -15.327 0.618 2.606
147 HH22 ARG 24 2HH2 ARG 24 -14.948 1.638 3.953
148 H LYS 25 H LYS 25 -9.038 -1.464 -3.566
149 HA LYS 25 HA LYS 25 -6.226 -1.549 -3.690
150 HB2 LYS 25 1HB LYS 25 -7.482 -2.183 -5.621
151 HB3 LYS 25 2HB LYS 25 -8.307 -0.630 -5.673
152 HG2 LYS 25 1HG LYS 25 -6.781 -0.334 -7.336
153 HG3 LYS 25 2HG LYS 25 -5.862 0.290 -5.964
154 HD2 LYS 25 1HD LYS 25 -5.661 -2.611 -6.601
155 HD3 LYS 25 2HD LYS 25 -4.819 -1.463 -7.644
156 HE2 LYS 25 1HE LYS 25 -4.521 -1.188 -4.696
157 HE3 LYS 25 2HE LYS 25 -3.664 -2.498 -5.506
158 HZ1 LYS 25 3HZ LYS 25 -2.203 -1.081 -6.375
159 HZ2 LYS 25 1HZ LYS 25 -2.791 0.061 -5.274
160 HZ3 LYS 25 2HZ LYS 25 -3.395 0.019 -6.853
161 H SER 26 H SER 26 -8.460 1.193 -4.144
162 HA SER 26 HA SER 26 -6.615 3.204 -4.524
163 HB2 SER 26 1HB SER 26 -8.333 4.754 -3.689
164 HB3 SER 26 2HB SER 26 -9.041 3.535 -4.748
165 HG SER 26 HG SER 26 -10.188 3.952 -2.728
166 H THR 27 H THR 27 -7.811 1.874 -1.471
167 HA THR 27 HA THR 27 -6.674 3.634 0.325
168 HB THR 27 HB THR 27 -7.000 0.642 0.602
169 HG1 THR 27 HG1 THR 27 -8.659 2.863 0.943
170 HG21 THR 27 3HG2 THR 27 -7.131 1.992 3.098
171 HG22 THR 27 1HG2 THR 27 -5.635 2.472 2.300
172 HG23 THR 27 2HG2 THR 27 -5.978 0.764 2.576
173 H LEU 28 H LEU 28 -5.197 0.749 -1.134
174 HA LEU 28 HA LEU 28 -2.763 0.784 0.190
175 HB2 LEU 28 1HB LEU 28 -3.219 -1.087 -1.134
176 HB3 LEU 28 2HB LEU 28 -3.570 -0.106 -2.556
177 HG LEU 28 HG LEU 28 -1.209 0.383 -2.835
178 HD11 LEU 28 1HD1 LEU 28 -0.119 0.459 -0.850
179 HD12 LEU 28 2HD1 LEU 28 0.282 -1.200 -1.295
180 HD13 LEU 28 3HD1 LEU 28 -1.035 -0.884 -0.166
181 HD21 LEU 28 3HD2 LEU 28 -1.343 -2.573 -2.394
182 HD22 LEU 28 1HD2 LEU 28 -0.580 -1.670 -3.703
183 HD23 LEU 28 2HD2 LEU 28 -2.337 -1.806 -3.633
184 H ILE 29 H ILE 29 -3.640 2.408 -2.851
185 HA ILE 29 HA ILE 29 -1.251 3.544 -3.547
186 HB ILE 29 HB ILE 29 -4.047 4.626 -3.771
187 HG12 ILE 29 1HG1 ILE 29 -3.195 4.289 -6.284
188 HG13 ILE 29 2HG1 ILE 29 -2.133 3.130 -5.491
189 HG21 ILE 29 1HG2 ILE 29 -1.467 5.952 -4.465
190 HG22 ILE 29 2HG2 ILE 29 -2.878 6.209 -5.490
191 HG23 ILE 29 3HG2 ILE 29 -2.938 6.643 -3.782
192 HD11 ILE 29 3HD1 ILE 29 -3.782 1.665 -5.641
193 HD12 ILE 29 1HD1 ILE 29 -4.655 2.619 -4.442
194 HD13 ILE 29 2HD1 ILE 29 -4.919 2.909 -6.162
195 H MET 30 H MET 30 -3.656 4.933 -1.316
196 HA MET 30 HA MET 30 -2.292 7.270 -0.677
197 HB2 MET 30 1HB MET 30 -3.946 5.714 1.305
198 HB3 MET 30 2HB MET 30 -3.729 7.457 1.205
199 HG2 MET 30 1HG MET 30 -5.307 5.684 -0.633
200 HG3 MET 30 2HG MET 30 -5.900 6.975 0.409
201 HE1 MET 30 3HE MET 30 -6.686 7.625 -3.141
202 HE2 MET 30 1HE MET 30 -5.212 6.851 -3.724
203 HE3 MET 30 2HE MET 30 -6.197 6.057 -2.496
204 H HIS 31 H HIS 31 -2.082 4.054 0.793
205 HA HIS 31 HA HIS 31 -0.349 4.727 2.898
206 HB2 HIS 31 1HB HIS 31 -1.229 2.634 3.217
207 HB3 HIS 31 2HB HIS 31 -1.131 2.213 1.510
208 HD1 HIS 31 HD1 HIS 31 0.723 1.986 4.705
209 HD2 HIS 31 HD2 HIS 31 1.409 1.229 0.677
210 HE1 HIS 31 HE1 HIS 31 2.822 0.604 4.628
211 H GLN 32 H GLN 32 0.407 3.273 -0.271
212 HA GLN 32 HA GLN 32 3.074 3.005 -0.210
213 HB2 GLN 32 1HB GLN 32 1.404 4.200 -2.419
214 HB3 GLN 32 2HB GLN 32 3.103 3.793 -2.623
215 HG2 GLN 32 1HG GLN 32 2.556 1.452 -2.001
216 HG3 GLN 32 2HG GLN 32 0.852 1.904 -1.982
217 HE21 GLN 32 1HE2 GLN 32 1.613 -0.091 -3.607
218 HE22 GLN 32 2HE2 GLN 32 1.576 0.415 -5.259
219 H ARG 33 H ARG 33 1.358 6.026 -0.100
220 HA ARG 33 HA ARG 33 3.273 7.854 -0.851
221 HB2 ARG 33 1HB ARG 33 1.247 8.035 1.382
222 HB3 ARG 33 2HB ARG 33 2.185 9.403 0.797
223 HG2 ARG 33 1HG ARG 33 1.155 9.281 -1.353
224 HG3 ARG 33 2HG ARG 33 0.358 7.761 -0.939
225 HD2 ARG 33 1HD ARG 33 -1.172 9.683 -0.818
226 HD3 ARG 33 2HD ARG 33 -0.977 8.881 0.740
227 HE ARG 33 HE ARG 33 0.841 10.830 0.913
228 HH11 ARG 33 1HH1 ARG 33 -2.485 10.875 -0.116
229 HH12 ARG 33 2HH1 ARG 33 -2.761 12.504 0.407
230 HH21 ARG 33 1HH2 ARG 33 0.490 12.974 1.606
231 HH22 ARG 33 2HH2 ARG 33 -1.068 13.697 1.386
232 H ILE 34 H ILE 34 2.839 6.367 2.346
233 HA ILE 34 HA ILE 34 4.687 7.657 3.856
234 HB ILE 34 HB ILE 34 4.949 5.694 5.188
235 HG12 ILE 34 1HG1 ILE 34 3.844 4.109 2.859
236 HG13 ILE 34 2HG1 ILE 34 5.540 4.158 3.328
237 HG21 ILE 34 1HG2 ILE 34 2.724 5.227 5.710
238 HG22 ILE 34 2HG2 ILE 34 2.652 6.807 4.933
239 HG23 ILE 34 3HG2 ILE 34 2.205 5.360 4.031
240 HD11 ILE 34 3HD1 ILE 34 3.378 3.246 5.196
241 HD12 ILE 34 1HD1 ILE 34 4.208 2.155 4.086
242 HD13 ILE 34 2HD1 ILE 34 5.119 3.007 5.333
243 H HIS 35 H HIS 35 5.325 5.329 1.308
244 HA HIS 35 HA HIS 35 8.127 5.107 1.864
245 HB2 HIS 35 1HB HIS 35 6.516 4.357 -0.583
246 HB3 HIS 35 2HB HIS 35 8.215 3.959 -0.347
247 HD1 HIS 35 HD1 HIS 35 8.508 2.653 2.188
248 HD2 HIS 35 HD2 HIS 35 4.970 2.248 0.048
249 HE1 HIS 35 HE1 HIS 35 7.418 0.569 3.078
250 H THR 36 H THR 36 6.346 6.559 -0.867
251 HA THR 36 HA THR 36 8.636 7.964 -1.825
252 HB THR 36 HB THR 36 6.897 7.349 -3.389
253 HG1 THR 36 HG1 THR 36 8.073 9.515 -3.479
254 HG21 THR 36 3HG2 THR 36 4.677 8.361 -3.329
255 HG22 THR 36 1HG2 THR 36 5.093 9.217 -1.845
256 HG23 THR 36 2HG2 THR 36 4.985 7.457 -1.847
257 H GLY 37 H GLY 37 9.451 9.825 -1.124
258 HA2 GLY 37 1HA GLY 37 7.660 11.791 0.121
259 HA3 GLY 37 2HA GLY 37 9.070 11.251 1.020
260 H GLU 38 H GLU 38 9.585 13.575 0.990
261 HA GLU 38 HA GLU 38 10.734 14.444 -1.575
262 HB2 GLU 38 1HB GLU 38 8.983 15.870 -0.358
263 HB3 GLU 38 2HB GLU 38 10.247 16.211 0.814
264 HG2 GLU 38 1HG GLU 38 10.221 16.904 -2.109
265 HG3 GLU 38 2HG GLU 38 10.187 18.007 -0.735
266 H LYS 39 H LYS 39 12.616 13.128 -1.255
267 HA LYS 39 HA LYS 39 14.697 14.534 0.154
268 HB2 LYS 39 1HB LYS 39 13.697 13.077 1.917
269 HB3 LYS 39 2HB LYS 39 14.103 11.675 0.936
270 HG2 LYS 39 1HG LYS 39 15.887 11.708 2.350
271 HG3 LYS 39 2HG LYS 39 16.517 12.711 1.041
272 HD2 LYS 39 1HD LYS 39 16.378 14.637 2.266
273 HD3 LYS 39 2HD LYS 39 15.019 14.054 3.230
274 HE2 LYS 39 1HE LYS 39 17.804 12.940 3.480
275 HE3 LYS 39 2HE LYS 39 17.229 14.303 4.439
276 HZ1 LYS 39 3HZ LYS 39 16.353 12.855 5.844
277 HZ2 LYS 39 1HZ LYS 39 16.814 11.552 4.868
278 HZ3 LYS 39 2HZ LYS 39 15.314 12.297 4.631
279 HA PRO 40 HA PRO 40 16.791 12.965 -3.417
280 HB2 PRO 40 1HB PRO 40 19.281 13.817 -2.749
281 HB3 PRO 40 2HB PRO 40 18.021 14.904 -3.346
282 HG2 PRO 40 1HG PRO 40 18.907 14.394 -0.532
283 HG3 PRO 40 2HG PRO 40 18.521 15.934 -1.322
284 HD2 PRO 40 1HD PRO 40 16.781 14.660 0.315
285 HD3 PRO 40 2HD PRO 40 16.249 15.640 -1.067
286 H SER 41 H SER 41 16.481 10.724 -2.881
287 HA SER 41 HA SER 41 18.897 9.496 -1.736
288 HB2 SER 41 1HB SER 41 16.016 8.878 -1.143
289 HB3 SER 41 2HB SER 41 17.252 7.632 -0.971
290 HG SER 41 HG SER 41 17.978 8.593 0.761
291 H GLY 42 H GLY 42 19.102 7.151 -2.381
292 HA2 GLY 42 1HA GLY 42 17.723 6.242 -4.718
293 HA3 GLY 42 2HA GLY 42 19.321 6.862 -5.105
294 HA PRO 43 HA PRO 43 19.715 2.887 -2.310
295 HB2 PRO 43 1HB PRO 43 17.640 1.161 -2.600
296 HB3 PRO 43 2HB PRO 43 17.694 2.396 -1.336
297 HG2 PRO 43 1HG PRO 43 16.266 2.440 -3.967
298 HG3 PRO 43 2HG PRO 43 15.692 2.965 -2.373
299 HD2 PRO 43 1HD PRO 43 16.592 4.704 -4.243
300 HD3 PRO 43 2HD PRO 43 16.794 4.985 -2.502
301 H SER 44 H SER 44 17.776 2.492 -5.276
302 HA SER 44 HA SER 44 19.909 1.476 -6.806
303 HB2 SER 44 1HB SER 44 19.600 -0.481 -5.289
304 HB3 SER 44 2HB SER 44 17.948 -0.640 -5.887
305 HG SER 44 HG SER 44 20.079 -1.706 -6.924
306 H SER 45 H SER 45 19.403 1.511 -8.936
307 HA SER 45 HA SER 45 16.599 2.092 -9.607
308 HB2 SER 45 1HB SER 45 19.093 2.752 -11.192
309 HB3 SER 45 2HB SER 45 17.447 3.255 -11.576
310 HG SER 45 HG SER 45 19.030 4.032 -9.358
311 H GLY 46 H GLY 46 19.469 0.360 -10.796
312 HA2 GLY 46 1HA GLY 46 17.637 -1.540 -12.115
313 HA3 GLY 46 2HA GLY 46 19.051 -0.922 -12.955
Start of MODEL 16
1 H1 GLY 1 H GLY 1 10.394 -20.587 3.555
2 HA2 GLY 1 1HA GLY 1 8.749 -21.912 5.217
3 HA3 GLY 1 2HA GLY 1 9.341 -20.304 5.603
4 H SER 2 H SER 2 7.481 -19.737 6.735
5 HA SER 2 HA SER 2 5.356 -18.977 7.055
6 HB2 SER 2 1HB SER 2 5.696 -18.212 4.146
7 HB3 SER 2 2HB SER 2 4.426 -17.603 5.206
8 HG SER 2 HG SER 2 5.904 -16.495 6.365
9 H SER 3 H SER 3 5.397 -21.675 6.684
10 HA SER 3 HA SER 3 4.015 -22.923 4.729
11 HB2 SER 3 1HB SER 3 3.638 -23.357 7.702
12 HB3 SER 3 2HB SER 3 3.162 -24.497 6.444
13 HG SER 3 HG SER 3 5.331 -24.718 7.536
14 H GLY 4 H GLY 4 2.404 -21.521 7.594
15 HA2 GLY 4 1HA GLY 4 -0.216 -21.845 6.642
16 HA3 GLY 4 2HA GLY 4 0.280 -20.702 7.881
17 H SER 5 H SER 5 -1.568 -20.631 5.434
18 HA SER 5 HA SER 5 -0.379 -18.317 4.068
19 HB2 SER 5 1HB SER 5 -2.453 -20.335 3.290
20 HB3 SER 5 2HB SER 5 -2.469 -18.744 2.530
21 HG SER 5 HG SER 5 -0.496 -20.748 2.425
22 H SER 6 H SER 6 -1.291 -17.883 6.649
23 HA SER 6 HA SER 6 -3.870 -17.132 7.107
24 HB2 SER 6 1HB SER 6 -2.076 -16.970 8.790
25 HB3 SER 6 2HB SER 6 -1.409 -15.575 7.942
26 HG SER 6 HG SER 6 -3.940 -15.769 9.209
27 H GLY 7 H GLY 7 -5.170 -15.366 6.712
28 HA2 GLY 7 1HA GLY 7 -5.237 -12.991 5.959
29 HA3 GLY 7 2HA GLY 7 -4.163 -13.490 4.661
30 H THR 8 H THR 8 -7.411 -13.273 5.747
31 HA THR 8 HA THR 8 -8.381 -14.753 3.403
32 HB THR 8 HB THR 8 -9.998 -13.737 5.746
33 HG1 THR 8 HG1 THR 8 -9.040 -15.352 6.736
34 HG21 THR 8 3HG2 THR 8 -11.611 -14.129 4.190
35 HG22 THR 8 1HG2 THR 8 -11.406 -15.786 4.756
36 HG23 THR 8 2HG2 THR 8 -10.609 -15.254 3.275
37 H GLY 9 H GLY 9 -8.775 -13.572 1.654
38 HA2 GLY 9 1HA GLY 9 -10.615 -11.615 1.331
39 HA3 GLY 9 2HA GLY 9 -9.192 -10.718 1.838
40 H GLU 10 H GLU 10 -10.832 -12.100 -0.768
41 HA GLU 10 HA GLU 10 -8.615 -12.536 -2.510
42 HB2 GLU 10 1HB GLU 10 -10.868 -13.592 -2.779
43 HB3 GLU 10 2HB GLU 10 -11.497 -12.022 -3.259
44 HG2 GLU 10 1HG GLU 10 -11.109 -13.109 -5.270
45 HG3 GLU 10 2HG GLU 10 -9.703 -12.063 -5.078
46 H ARG 11 H ARG 11 -10.767 -9.831 -1.858
47 HA ARG 11 HA ARG 11 -9.576 -8.227 -3.967
48 HB2 ARG 11 1HB ARG 11 -12.075 -8.253 -3.040
49 HB3 ARG 11 2HB ARG 11 -11.415 -7.041 -1.949
50 HG2 ARG 11 1HG ARG 11 -10.713 -5.691 -3.848
51 HG3 ARG 11 2HG ARG 11 -11.335 -6.915 -4.956
52 HD2 ARG 11 1HD ARG 11 -13.588 -6.581 -4.021
53 HD3 ARG 11 2HD ARG 11 -12.948 -5.319 -2.970
54 HE ARG 11 HE ARG 11 -12.338 -4.763 -5.678
55 HH11 ARG 11 1HH1 ARG 11 -14.968 -4.746 -3.396
56 HH12 ARG 11 2HH1 ARG 11 -15.839 -3.489 -4.211
57 HH21 ARG 11 1HH2 ARG 11 -13.476 -3.108 -6.760
58 HH22 ARG 11 2HH2 ARG 11 -14.990 -2.559 -6.125
59 H HIS 12 H HIS 12 -8.062 -9.182 -1.546
60 HA HIS 12 HA HIS 12 -7.402 -6.652 -0.242
61 HB2 HIS 12 1HB HIS 12 -7.688 -9.056 0.868
62 HB3 HIS 12 2HB HIS 12 -5.985 -9.184 0.438
63 HD1 HIS 12 HD1 HIS 12 -8.105 -8.091 3.099
64 HD2 HIS 12 HD2 HIS 12 -4.474 -6.825 1.527
65 HE1 HIS 12 HE1 HIS 12 -7.047 -6.685 4.896
66 H TYR 13 H TYR 13 -5.812 -5.432 -0.991
67 HA TYR 13 HA TYR 13 -3.768 -6.666 -2.704
68 HB2 TYR 13 1HB TYR 13 -4.426 -3.729 -2.437
69 HB3 TYR 13 2HB TYR 13 -3.405 -4.482 -3.657
70 HD1 TYR 13 HD2 TYR 13 -6.905 -4.707 -2.357
71 HD2 TYR 13 HD1 TYR 13 -4.326 -4.861 -5.737
72 HE1 TYR 13 HE2 TYR 13 -8.859 -4.955 -3.830
73 HE2 TYR 13 HE1 TYR 13 -6.273 -5.108 -7.219
74 HH TYR 13 HH TYR 13 -9.579 -5.153 -5.916
75 H GLU 14 H GLU 14 -1.656 -6.620 -2.174
76 HA GLU 14 HA GLU 14 -0.958 -5.401 0.408
77 HB2 GLU 14 1HB GLU 14 -0.648 -7.957 -0.243
78 HB3 GLU 14 2HB GLU 14 0.843 -7.350 -0.949
79 HG2 GLU 14 1HG GLU 14 1.674 -6.647 1.118
80 HG3 GLU 14 2HG GLU 14 0.089 -6.739 1.885
81 H CYS 15 H CYS 15 1.205 -4.475 0.623
82 HA CYS 15 HA CYS 15 1.863 -2.881 -1.725
83 HB2 CYS 15 1HB CYS 15 1.572 -1.740 0.432
84 HB3 CYS 15 2HB CYS 15 2.877 -2.701 1.120
85 H SER 16 H SER 16 3.359 -3.574 -3.089
86 HA SER 16 HA SER 16 5.124 -5.711 -2.543
87 HB2 SER 16 1HB SER 16 4.886 -3.714 -4.776
88 HB3 SER 16 2HB SER 16 6.255 -4.824 -4.715
89 HG SER 16 HG SER 16 4.601 -5.752 -5.917
90 H GLU 17 H GLU 17 5.229 -2.573 -1.488
91 HA GLU 17 HA GLU 17 8.102 -2.226 -1.613
92 HB2 GLU 17 1HB GLU 17 6.283 -0.376 -1.703
93 HB3 GLU 17 2HB GLU 17 6.246 -0.548 0.046
94 HG2 GLU 17 1HG GLU 17 7.745 1.260 -0.985
95 HG3 GLU 17 2HG GLU 17 8.400 0.252 0.305
96 H CYS 18 H CYS 18 5.684 -2.531 0.990
97 HA CYS 18 HA CYS 18 7.837 -3.496 2.753
98 HB2 CYS 18 1HB CYS 18 6.369 -2.800 4.633
99 HB3 CYS 18 2HB CYS 18 6.839 -1.457 3.596
100 H GLY 19 H GLY 19 4.419 -3.972 1.905
101 HA2 GLY 19 1HA GLY 19 3.847 -6.356 1.420
102 HA3 GLY 19 2HA GLY 19 4.661 -6.733 2.932
103 H LYS 20 H LYS 20 2.932 -3.822 3.041
104 HA LYS 20 HA LYS 20 1.120 -4.828 4.990
105 HB2 LYS 20 1HB LYS 20 2.057 -2.468 4.839
106 HB3 LYS 20 2HB LYS 20 0.897 -2.187 3.548
107 HG2 LYS 20 1HG LYS 20 -0.891 -2.186 4.962
108 HG3 LYS 20 2HG LYS 20 -0.114 -3.263 6.125
109 HD2 LYS 20 1HD LYS 20 1.503 -1.250 6.488
110 HD3 LYS 20 2HD LYS 20 0.192 -0.308 5.773
111 HE2 LYS 20 1HE LYS 20 -0.380 -2.216 8.002
112 HE3 LYS 20 2HE LYS 20 0.308 -0.632 8.357
113 HZ1 LYS 20 3HZ LYS 20 -2.365 -1.330 7.573
114 HZ2 LYS 20 1HZ LYS 20 -1.722 -0.061 6.658
115 HZ3 LYS 20 2HZ LYS 20 -1.794 0.064 8.343
116 H ALA 21 H ALA 21 -0.851 -5.662 4.754
117 HA ALA 21 HA ALA 21 -1.995 -5.801 2.074
118 HB1 ALA 21 3HB ALA 21 -3.147 -7.671 2.754
119 HB2 ALA 21 1HB ALA 21 -1.710 -7.767 3.772
120 HB3 ALA 21 2HB ALA 21 -3.222 -7.147 4.436
121 H PHE 22 H PHE 22 -3.977 -4.993 1.506
122 HA PHE 22 HA PHE 22 -5.444 -3.455 3.537
123 HB2 PHE 22 1HB PHE 22 -4.846 -2.504 0.727
124 HB3 PHE 22 2HB PHE 22 -5.797 -1.642 1.931
125 HD1 PHE 22 HD2 PHE 22 -2.418 -2.751 1.005
126 HD2 PHE 22 HD1 PHE 22 -4.756 -0.405 3.679
127 HE1 PHE 22 HE2 PHE 22 -0.374 -1.658 1.828
128 HE2 PHE 22 HE1 PHE 22 -2.715 0.693 4.505
129 HZ PHE 22 HZ PHE 22 -0.520 0.066 3.580
130 H ALA 23 H ALA 23 -7.680 -3.258 3.201
131 HA ALA 23 HA ALA 23 -8.858 -5.468 1.800
132 HB1 ALA 23 3HB ALA 23 -9.568 -4.137 4.022
133 HB2 ALA 23 1HB ALA 23 -10.613 -3.340 2.846
134 HB3 ALA 23 2HB ALA 23 -10.695 -5.090 3.057
135 H ARG 24 H ARG 24 -8.562 -2.010 1.287
136 HA ARG 24 HA ARG 24 -10.078 -2.278 -1.223
137 HB2 ARG 24 1HB ARG 24 -9.389 0.322 0.134
138 HB3 ARG 24 2HB ARG 24 -10.606 0.028 -1.101
139 HG2 ARG 24 1HG ARG 24 -11.977 0.129 0.688
140 HG3 ARG 24 2HG ARG 24 -11.557 -1.582 0.795
141 HD2 ARG 24 1HD ARG 24 -9.626 -0.815 2.294
142 HD3 ARG 24 2HD ARG 24 -10.487 0.720 2.397
143 HE ARG 24 HE ARG 24 -11.179 -1.741 3.696
144 HH11 ARG 24 1HH1 ARG 24 -12.412 1.269 2.457
145 HH12 ARG 24 2HH1 ARG 24 -13.795 1.283 3.500
146 HH21 ARG 24 1HH2 ARG 24 -12.996 -1.735 5.075
147 HH22 ARG 24 2HH2 ARG 24 -14.126 -0.426 4.989
148 H LYS 25 H LYS 25 -9.187 -1.620 -3.146
149 HA LYS 25 HA LYS 25 -6.418 -1.818 -3.469
150 HB2 LYS 25 1HB LYS 25 -7.850 -2.291 -5.325
151 HB3 LYS 25 2HB LYS 25 -8.558 -0.682 -5.268
152 HG2 LYS 25 1HG LYS 25 -7.132 -0.390 -7.005
153 HG3 LYS 25 2HG LYS 25 -6.045 0.038 -5.682
154 HD2 LYS 25 1HD LYS 25 -5.475 -2.505 -5.692
155 HD3 LYS 25 2HD LYS 25 -6.143 -2.459 -7.326
156 HE2 LYS 25 1HE LYS 25 -4.078 -0.469 -6.468
157 HE3 LYS 25 2HE LYS 25 -3.601 -2.088 -6.978
158 HZ1 LYS 25 3HZ LYS 25 -4.669 -1.724 -9.093
159 HZ2 LYS 25 1HZ LYS 25 -3.558 -0.481 -8.804
160 HZ3 LYS 25 2HZ LYS 25 -5.213 -0.198 -8.606
161 H SER 26 H SER 26 -8.477 1.085 -3.718
162 HA SER 26 HA SER 26 -6.515 2.973 -4.131
163 HB2 SER 26 1HB SER 26 -9.149 3.133 -2.676
164 HB3 SER 26 2HB SER 26 -8.118 4.549 -2.881
165 HG SER 26 HG SER 26 -8.789 2.963 -5.103
166 H THR 27 H THR 27 -7.829 1.925 -0.990
167 HA THR 27 HA THR 27 -6.476 3.439 0.778
168 HB THR 27 HB THR 27 -6.829 0.442 0.975
169 HG1 THR 27 HG1 THR 27 -8.671 2.138 0.793
170 HG21 THR 27 3HG2 THR 27 -6.441 0.598 3.294
171 HG22 THR 27 1HG2 THR 27 -6.508 2.360 3.270
172 HG23 THR 27 2HG2 THR 27 -5.134 1.520 2.551
173 H LEU 28 H LEU 28 -5.134 0.519 -0.758
174 HA LEU 28 HA LEU 28 -2.640 0.506 0.433
175 HB2 LEU 28 1HB LEU 28 -3.199 -1.348 -0.874
176 HB3 LEU 28 2HB LEU 28 -3.593 -0.353 -2.275
177 HG LEU 28 HG LEU 28 -1.251 0.068 -2.688
178 HD11 LEU 28 1HD1 LEU 28 -0.493 0.132 -0.363
179 HD12 LEU 28 2HD1 LEU 28 0.498 -0.950 -1.340
180 HD13 LEU 28 3HD1 LEU 28 -0.713 -1.615 -0.244
181 HD21 LEU 28 3HD2 LEU 28 -2.521 -2.302 -3.091
182 HD22 LEU 28 1HD2 LEU 28 -1.070 -2.824 -2.235
183 HD23 LEU 28 2HD2 LEU 28 -0.927 -1.894 -3.727
184 H ILE 29 H ILE 29 -3.608 2.142 -2.575
185 HA ILE 29 HA ILE 29 -1.196 3.249 -3.308
186 HB ILE 29 HB ILE 29 -4.005 4.273 -3.604
187 HG12 ILE 29 1HG1 ILE 29 -3.470 3.809 -6.023
188 HG13 ILE 29 2HG1 ILE 29 -1.943 3.116 -5.488
189 HG21 ILE 29 1HG2 ILE 29 -2.817 5.845 -5.338
190 HG22 ILE 29 2HG2 ILE 29 -2.975 6.321 -3.648
191 HG23 ILE 29 3HG2 ILE 29 -1.449 5.664 -4.239
192 HD11 ILE 29 3HD1 ILE 29 -4.653 2.135 -4.629
193 HD12 ILE 29 1HD1 ILE 29 -3.697 1.439 -5.937
194 HD13 ILE 29 2HD1 ILE 29 -3.091 1.392 -4.281
195 H MET 30 H MET 30 -3.684 4.825 -1.289
196 HA MET 30 HA MET 30 -2.362 7.148 -0.670
197 HB2 MET 30 1HB MET 30 -3.951 5.629 1.388
198 HB3 MET 30 2HB MET 30 -3.803 7.370 1.197
199 HG2 MET 30 1HG MET 30 -5.376 5.432 -0.454
200 HG3 MET 30 2HG MET 30 -5.938 6.856 0.417
201 HE1 MET 30 3HE MET 30 -6.661 6.904 -3.247
202 HE2 MET 30 1HE MET 30 -5.120 6.163 -3.680
203 HE3 MET 30 2HE MET 30 -6.098 5.470 -2.387
204 H HIS 31 H HIS 31 -1.834 3.940 0.625
205 HA HIS 31 HA HIS 31 -0.133 4.791 2.767
206 HB2 HIS 31 1HB HIS 31 -1.019 2.733 3.268
207 HB3 HIS 31 2HB HIS 31 -0.966 2.183 1.596
208 HD1 HIS 31 HD1 HIS 31 1.006 2.250 4.738
209 HD2 HIS 31 HD2 HIS 31 1.516 1.081 0.784
210 HE1 HIS 31 HE1 HIS 31 3.094 0.849 4.715
211 H GLN 32 H GLN 32 0.397 3.399 -0.452
212 HA GLN 32 HA GLN 32 3.146 3.103 -0.379
213 HB2 GLN 32 1HB GLN 32 1.446 3.957 -2.729
214 HB3 GLN 32 2HB GLN 32 3.082 3.322 -2.835
215 HG2 GLN 32 1HG GLN 32 2.359 1.195 -1.961
216 HG3 GLN 32 2HG GLN 32 0.729 1.820 -1.712
217 HE21 GLN 32 1HE2 GLN 32 2.359 -0.172 -3.585
218 HE22 GLN 32 2HE2 GLN 32 1.540 0.032 -5.092
219 H ARG 33 H ARG 33 1.278 5.986 -0.429
220 HA ARG 33 HA ARG 33 3.102 7.771 -1.598
221 HB2 ARG 33 1HB ARG 33 1.246 8.506 0.657
222 HB3 ARG 33 2HB ARG 33 1.789 9.511 -0.681
223 HG2 ARG 33 1HG ARG 33 0.505 8.052 -2.225
224 HG3 ARG 33 2HG ARG 33 -0.122 7.191 -0.819
225 HD2 ARG 33 1HD ARG 33 -0.506 10.106 -1.484
226 HD3 ARG 33 2HD ARG 33 -1.731 8.839 -1.530
227 HE ARG 33 HE ARG 33 -0.486 9.208 1.045
228 HH11 ARG 33 1HH1 ARG 33 -3.078 10.157 -1.077
229 HH12 ARG 33 2HH1 ARG 33 -4.100 10.712 0.207
230 HH21 ARG 33 1HH2 ARG 33 -1.823 9.935 2.744
231 HH22 ARG 33 2HH2 ARG 33 -3.385 10.586 2.380
232 H ILE 34 H ILE 34 3.158 6.144 1.411
233 HA ILE 34 HA ILE 34 4.789 8.021 2.828
234 HB ILE 34 HB ILE 34 4.928 6.438 4.557
235 HG12 ILE 34 1HG1 ILE 34 4.195 4.328 2.516
236 HG13 ILE 34 2HG1 ILE 34 5.777 4.554 3.252
237 HG21 ILE 34 1HG2 ILE 34 2.350 6.464 3.087
238 HG22 ILE 34 2HG2 ILE 34 2.516 5.348 4.442
239 HG23 ILE 34 3HG2 ILE 34 2.746 7.078 4.692
240 HD11 ILE 34 3HD1 ILE 34 3.358 3.267 4.312
241 HD12 ILE 34 1HD1 ILE 34 5.060 2.917 4.609
242 HD13 ILE 34 2HD1 ILE 34 4.273 4.249 5.456
243 H HIS 35 H HIS 35 5.372 5.291 0.723
244 HA HIS 35 HA HIS 35 8.168 5.083 1.346
245 HB2 HIS 35 1HB HIS 35 6.540 3.947 -0.936
246 HB3 HIS 35 2HB HIS 35 8.229 3.557 -0.625
247 HD1 HIS 35 HD1 HIS 35 8.558 2.614 2.010
248 HD2 HIS 35 HD2 HIS 35 4.875 2.130 0.151
249 HE1 HIS 35 HE1 HIS 35 7.402 0.776 3.278
250 H THR 36 H THR 36 6.395 6.128 -1.570
251 HA THR 36 HA THR 36 8.735 7.268 -2.760
252 HB THR 36 HB THR 36 6.952 6.399 -4.177
253 HG1 THR 36 HG1 THR 36 8.216 8.137 -4.993
254 HG21 THR 36 3HG2 THR 36 5.222 8.714 -3.355
255 HG22 THR 36 1HG2 THR 36 5.124 7.154 -2.539
256 HG23 THR 36 2HG2 THR 36 4.776 7.270 -4.264
257 H GLY 37 H GLY 37 9.601 9.183 -2.324
258 HA2 GLY 37 1HA GLY 37 8.839 11.648 -2.350
259 HA3 GLY 37 2HA GLY 37 7.956 11.171 -0.907
260 H GLU 38 H GLU 38 11.250 11.077 -2.260
261 HA GLU 38 HA GLU 38 12.249 11.775 0.421
262 HB2 GLU 38 1HB GLU 38 13.425 9.848 -1.582
263 HB3 GLU 38 2HB GLU 38 14.331 10.483 -0.215
264 HG2 GLU 38 1HG GLU 38 12.779 9.473 1.333
265 HG3 GLU 38 2HG GLU 38 11.771 8.915 -0.001
266 H LYS 39 H LYS 39 12.572 13.925 0.117
267 HA LYS 39 HA LYS 39 13.233 15.402 -2.013
268 HB2 LYS 39 1HB LYS 39 14.350 15.608 0.781
269 HB3 LYS 39 2HB LYS 39 14.658 16.826 -0.451
270 HG2 LYS 39 1HG LYS 39 11.852 16.031 0.184
271 HG3 LYS 39 2HG LYS 39 12.717 17.152 1.237
272 HD2 LYS 39 1HD LYS 39 12.590 17.580 -1.731
273 HD3 LYS 39 2HD LYS 39 11.289 18.125 -0.669
274 HE2 LYS 39 1HE LYS 39 12.983 19.386 0.649
275 HE3 LYS 39 2HE LYS 39 14.192 18.933 -0.551
276 HZ1 LYS 39 3HZ LYS 39 13.412 20.420 -2.018
277 HZ2 LYS 39 1HZ LYS 39 12.738 21.171 -0.660
278 HZ3 LYS 39 2HZ LYS 39 11.791 20.149 -1.619
279 HA PRO 40 HA PRO 40 17.092 14.152 -3.697
280 HB2 PRO 40 1HB PRO 40 17.982 16.508 -4.709
281 HB3 PRO 40 2HB PRO 40 16.654 15.593 -5.433
282 HG2 PRO 40 1HG PRO 40 16.547 17.964 -3.609
283 HG3 PRO 40 2HG PRO 40 15.590 17.627 -5.063
284 HD2 PRO 40 1HD PRO 40 14.631 17.227 -2.563
285 HD3 PRO 40 2HD PRO 40 14.152 16.217 -3.942
286 H SER 41 H SER 41 18.274 13.591 -1.844
287 HA SER 41 HA SER 41 20.344 15.509 -1.133
288 HB2 SER 41 1HB SER 41 18.551 15.841 0.554
289 HB3 SER 41 2HB SER 41 18.675 14.136 0.989
290 HG SER 41 HG SER 41 20.170 14.780 2.309
291 H GLY 42 H GLY 42 22.168 14.450 -1.527
292 HA2 GLY 42 1HA GLY 42 22.250 11.547 -1.030
293 HA3 GLY 42 2HA GLY 42 23.298 12.414 -2.143
294 HA PRO 43 HA PRO 43 25.696 11.645 1.735
295 HB2 PRO 43 1HB PRO 43 27.965 10.888 0.451
296 HB3 PRO 43 2HB PRO 43 26.656 9.763 0.833
297 HG2 PRO 43 1HG PRO 43 27.268 11.153 -1.747
298 HG3 PRO 43 2HG PRO 43 26.785 9.469 -1.470
299 HD2 PRO 43 1HD PRO 43 25.041 11.366 -2.301
300 HD3 PRO 43 2HD PRO 43 24.555 10.009 -1.264
301 H SER 44 H SER 44 25.452 14.037 1.805
302 HA SER 44 HA SER 44 26.205 16.208 1.523
303 HB2 SER 44 1HB SER 44 28.559 14.628 2.559
304 HB3 SER 44 2HB SER 44 28.581 16.388 2.445
305 HG SER 44 HG SER 44 27.554 14.900 4.372
306 H SER 45 H SER 45 26.023 15.413 -0.965
307 HA SER 45 HA SER 45 28.628 15.889 -2.242
308 HB2 SER 45 1HB SER 45 26.175 14.400 -3.052
309 HB3 SER 45 2HB SER 45 27.132 15.159 -4.324
310 HG SER 45 HG SER 45 28.959 14.019 -3.454
311 H GLY 46 H GLY 46 28.801 18.091 -2.259
312 HA2 GLY 46 1HA GLY 46 26.594 19.595 -3.515
313 HA3 GLY 46 2HA GLY 46 27.772 20.285 -2.408
Start of MODEL 17
1 H1 GLY 1 H GLY 1 4.039 -14.024 15.582
2 HA2 GLY 1 1HA GLY 1 3.999 -16.938 15.092
3 HA3 GLY 1 2HA GLY 1 3.391 -16.230 16.581
4 H SER 2 H SER 2 2.960 -15.759 13.070
5 HA SER 2 HA SER 2 0.132 -16.261 13.288
6 HB2 SER 2 1HB SER 2 1.060 -13.498 12.470
7 HB3 SER 2 2HB SER 2 -0.606 -14.075 12.494
8 HG SER 2 HG SER 2 1.126 -13.668 14.700
9 H SER 3 H SER 3 -0.300 -17.452 11.566
10 HA SER 3 HA SER 3 0.508 -16.585 8.927
11 HB2 SER 3 1HB SER 3 2.462 -17.903 9.694
12 HB3 SER 3 2HB SER 3 1.403 -19.287 9.963
13 HG SER 3 HG SER 3 0.855 -18.704 7.568
14 H GLY 4 H GLY 4 -1.366 -16.672 7.881
15 HA2 GLY 4 1HA GLY 4 -2.731 -19.121 7.452
16 HA3 GLY 4 2HA GLY 4 -3.612 -18.136 8.610
17 H SER 5 H SER 5 -3.137 -18.803 5.360
18 HA SER 5 HA SER 5 -3.740 -16.234 4.267
19 HB2 SER 5 1HB SER 5 -3.605 -19.023 3.166
20 HB3 SER 5 2HB SER 5 -4.302 -17.727 2.195
21 HG SER 5 HG SER 5 -1.837 -18.268 2.255
22 H SER 6 H SER 6 -5.697 -15.983 2.789
23 HA SER 6 HA SER 6 -8.088 -17.395 3.437
24 HB2 SER 6 1HB SER 6 -8.067 -16.152 5.480
25 HB3 SER 6 2HB SER 6 -7.659 -14.656 4.639
26 HG SER 6 HG SER 6 -9.985 -15.187 5.293
27 H GLY 7 H GLY 7 -9.446 -17.239 1.763
28 HA2 GLY 7 1HA GLY 7 -9.374 -14.822 0.094
29 HA3 GLY 7 2HA GLY 7 -9.101 -16.383 -0.666
30 H THR 8 H THR 8 -10.813 -17.756 -1.031
31 HA THR 8 HA THR 8 -12.988 -18.018 -1.789
32 HB THR 8 HB THR 8 -12.829 -19.123 0.452
33 HG1 THR 8 HG1 THR 8 -15.235 -19.053 0.730
34 HG21 THR 8 3HG2 THR 8 -14.450 -17.709 2.098
35 HG22 THR 8 1HG2 THR 8 -13.570 -16.402 1.306
36 HG23 THR 8 2HG2 THR 8 -12.689 -17.662 2.170
37 H GLY 9 H GLY 9 -12.295 -15.348 -2.177
38 HA2 GLY 9 1HA GLY 9 -13.847 -13.700 -3.020
39 HA3 GLY 9 2HA GLY 9 -14.889 -14.051 -1.649
40 H GLU 10 H GLU 10 -11.453 -13.167 -2.036
41 HA GLU 10 HA GLU 10 -11.895 -10.706 -0.567
42 HB2 GLU 10 1HB GLU 10 -10.513 -13.075 0.583
43 HB3 GLU 10 2HB GLU 10 -9.797 -11.499 0.886
44 HG2 GLU 10 1HG GLU 10 -12.674 -12.142 1.465
45 HG3 GLU 10 2HG GLU 10 -11.376 -12.334 2.642
46 H ARG 11 H ARG 11 -10.941 -9.286 -1.866
47 HA ARG 11 HA ARG 11 -8.442 -10.031 -3.212
48 HB2 ARG 11 1HB ARG 11 -10.410 -7.803 -3.753
49 HB3 ARG 11 2HB ARG 11 -8.895 -8.011 -4.620
50 HG2 ARG 11 1HG ARG 11 -10.626 -8.927 -5.961
51 HG3 ARG 11 2HG ARG 11 -9.692 -10.275 -5.309
52 HD2 ARG 11 1HD ARG 11 -11.366 -10.799 -3.730
53 HD3 ARG 11 2HD ARG 11 -12.197 -9.266 -3.990
54 HE ARG 11 HE ARG 11 -12.510 -11.666 -5.504
55 HH11 ARG 11 1HH1 ARG 11 -12.624 -8.192 -5.687
56 HH12 ARG 11 2HH1 ARG 11 -13.725 -8.168 -7.025
57 HH21 ARG 11 1HH2 ARG 11 -13.960 -11.649 -7.264
58 HH22 ARG 11 2HH2 ARG 11 -14.485 -10.135 -7.920
59 H HIS 12 H HIS 12 -7.294 -9.747 -1.155
60 HA HIS 12 HA HIS 12 -7.057 -7.042 -0.137
61 HB2 HIS 12 1HB HIS 12 -5.678 -7.978 1.587
62 HB3 HIS 12 2HB HIS 12 -7.042 -9.067 1.353
63 HD1 HIS 12 HD1 HIS 12 -6.537 -11.370 0.234
64 HD2 HIS 12 HD2 HIS 12 -3.181 -9.046 1.008
65 HE1 HIS 12 HE1 HIS 12 -4.574 -12.923 -0.006
66 H TYR 13 H TYR 13 -5.824 -5.632 -1.182
67 HA TYR 13 HA TYR 13 -3.626 -6.521 -2.849
68 HB2 TYR 13 1HB TYR 13 -4.729 -3.760 -2.296
69 HB3 TYR 13 2HB TYR 13 -3.440 -4.110 -3.441
70 HD1 TYR 13 HD2 TYR 13 -6.923 -5.239 -2.677
71 HD2 TYR 13 HD1 TYR 13 -4.025 -4.339 -5.659
72 HE1 TYR 13 HE2 TYR 13 -8.600 -5.660 -4.426
73 HE2 TYR 13 HE1 TYR 13 -5.694 -4.756 -7.417
74 HH TYR 13 HH TYR 13 -8.077 -4.824 -7.713
75 H GLU 14 H GLU 14 -1.618 -6.731 -2.141
76 HA GLU 14 HA GLU 14 -0.857 -5.493 0.395
77 HB2 GLU 14 1HB GLU 14 -0.482 -8.000 -0.357
78 HB3 GLU 14 2HB GLU 14 0.953 -7.326 -1.115
79 HG2 GLU 14 1HG GLU 14 1.961 -6.861 0.872
80 HG3 GLU 14 2HG GLU 14 0.432 -6.642 1.723
81 H CYS 15 H CYS 15 1.275 -4.499 0.604
82 HA CYS 15 HA CYS 15 1.815 -2.765 -1.670
83 HB2 CYS 15 1HB CYS 15 1.572 -1.731 0.530
84 HB3 CYS 15 2HB CYS 15 2.885 -2.722 1.159
85 H SER 16 H SER 16 3.234 -3.419 -3.137
86 HA SER 16 HA SER 16 5.080 -5.503 -2.784
87 HB2 SER 16 1HB SER 16 4.128 -4.498 -4.971
88 HB3 SER 16 2HB SER 16 5.445 -3.332 -4.839
89 HG SER 16 HG SER 16 5.697 -6.159 -4.955
90 H GLU 17 H GLU 17 5.167 -2.384 -1.595
91 HA GLU 17 HA GLU 17 8.043 -2.048 -1.713
92 HB2 GLU 17 1HB GLU 17 6.122 -0.222 -1.692
93 HB3 GLU 17 2HB GLU 17 6.315 -0.372 0.049
94 HG2 GLU 17 1HG GLU 17 7.645 1.443 -1.123
95 HG3 GLU 17 2HG GLU 17 8.517 0.393 -0.007
96 H CYS 18 H CYS 18 5.678 -2.182 0.959
97 HA CYS 18 HA CYS 18 7.805 -3.229 2.692
98 HB2 CYS 18 1HB CYS 18 6.318 -2.597 4.563
99 HB3 CYS 18 2HB CYS 18 6.707 -1.225 3.530
100 H GLY 19 H GLY 19 4.402 -3.790 1.822
101 HA2 GLY 19 1HA GLY 19 3.881 -6.166 1.279
102 HA3 GLY 19 2HA GLY 19 4.740 -6.574 2.757
103 H LYS 20 H LYS 20 2.866 -3.724 2.907
104 HA LYS 20 HA LYS 20 1.155 -4.840 4.902
105 HB2 LYS 20 1HB LYS 20 2.021 -2.423 4.715
106 HB3 LYS 20 2HB LYS 20 0.727 -2.187 3.547
107 HG2 LYS 20 1HG LYS 20 -0.903 -2.269 5.123
108 HG3 LYS 20 2HG LYS 20 -0.002 -3.379 6.158
109 HD2 LYS 20 1HD LYS 20 1.594 -1.267 6.378
110 HD3 LYS 20 2HD LYS 20 0.095 -0.414 6.000
111 HE2 LYS 20 1HE LYS 20 0.389 -0.629 8.408
112 HE3 LYS 20 2HE LYS 20 -1.016 -1.544 7.863
113 HZ1 LYS 20 3HZ LYS 20 0.428 -2.725 9.486
114 HZ2 LYS 20 1HZ LYS 20 1.653 -2.756 8.319
115 HZ3 LYS 20 2HZ LYS 20 0.194 -3.564 8.036
116 H ALA 21 H ALA 21 -0.760 -5.787 4.663
117 HA ALA 21 HA ALA 21 -1.955 -5.909 2.012
118 HB1 ALA 21 3HB ALA 21 -3.525 -7.543 3.231
119 HB2 ALA 21 1HB ALA 21 -1.847 -8.024 2.977
120 HB3 ALA 21 2HB ALA 21 -2.367 -7.437 4.557
121 H PHE 22 H PHE 22 -3.872 -5.026 1.438
122 HA PHE 22 HA PHE 22 -5.380 -3.577 3.511
123 HB2 PHE 22 1HB PHE 22 -4.776 -2.638 0.699
124 HB3 PHE 22 2HB PHE 22 -5.846 -1.815 1.828
125 HD1 PHE 22 HD2 PHE 22 -2.363 -2.679 1.073
126 HD2 PHE 22 HD1 PHE 22 -4.980 -0.520 3.643
127 HE1 PHE 22 HE2 PHE 22 -0.442 -1.438 1.980
128 HE2 PHE 22 HE1 PHE 22 -3.063 0.726 4.553
129 HZ PHE 22 HZ PHE 22 -0.790 0.266 3.723
130 H ALA 23 H ALA 23 -7.620 -2.929 2.616
131 HA ALA 23 HA ALA 23 -8.828 -5.362 1.551
132 HB1 ALA 23 3HB ALA 23 -10.846 -4.652 2.474
133 HB2 ALA 23 1HB ALA 23 -9.641 -4.104 3.638
134 HB3 ALA 23 2HB ALA 23 -10.351 -2.960 2.498
135 H ARG 24 H ARG 24 -8.801 -1.867 0.898
136 HA ARG 24 HA ARG 24 -10.075 -2.350 -1.691
137 HB2 ARG 24 1HB ARG 24 -9.347 0.391 -0.775
138 HB3 ARG 24 2HB ARG 24 -10.748 -0.151 -1.689
139 HG2 ARG 24 1HG ARG 24 -11.860 -0.891 0.231
140 HG3 ARG 24 2HG ARG 24 -10.384 -0.867 1.198
141 HD2 ARG 24 1HD ARG 24 -11.332 1.068 1.935
142 HD3 ARG 24 2HD ARG 24 -10.444 1.700 0.549
143 HE ARG 24 HE ARG 24 -12.857 1.064 -0.497
144 HH11 ARG 24 1HH1 ARG 24 -11.858 2.965 2.243
145 HH12 ARG 24 2HH1 ARG 24 -13.214 4.039 2.158
146 HH21 ARG 24 1HH2 ARG 24 -14.647 2.471 -0.620
147 HH22 ARG 24 2HH2 ARG 24 -14.801 3.757 0.530
148 H LYS 25 H LYS 25 -9.213 -1.020 -3.550
149 HA LYS 25 HA LYS 25 -6.397 -1.594 -3.838
150 HB2 LYS 25 1HB LYS 25 -7.762 -2.122 -5.719
151 HB3 LYS 25 2HB LYS 25 -8.495 -0.523 -5.722
152 HG2 LYS 25 1HG LYS 25 -6.976 -0.568 -7.524
153 HG3 LYS 25 2HG LYS 25 -6.215 0.400 -6.259
154 HD2 LYS 25 1HD LYS 25 -4.719 -1.318 -5.693
155 HD3 LYS 25 2HD LYS 25 -5.667 -2.540 -6.542
156 HE2 LYS 25 1HE LYS 25 -4.478 -0.243 -8.043
157 HE3 LYS 25 2HE LYS 25 -3.479 -1.630 -7.612
158 HZ1 LYS 25 3HZ LYS 25 -5.869 -1.569 -9.353
159 HZ2 LYS 25 1HZ LYS 25 -5.282 -3.014 -8.695
160 HZ3 LYS 25 2HZ LYS 25 -4.307 -2.099 -9.731
161 H SER 26 H SER 26 -8.471 1.272 -3.783
162 HA SER 26 HA SER 26 -6.434 3.150 -4.336
163 HB2 SER 26 1HB SER 26 -8.041 4.820 -3.427
164 HB3 SER 26 2HB SER 26 -8.774 3.742 -4.615
165 HG SER 26 HG SER 26 -9.587 2.515 -2.830
166 H THR 27 H THR 27 -7.787 1.913 -1.308
167 HA THR 27 HA THR 27 -6.605 3.527 0.551
168 HB THR 27 HB THR 27 -7.085 0.552 0.634
169 HG1 THR 27 HG1 THR 27 -8.380 2.464 2.235
170 HG21 THR 27 3HG2 THR 27 -5.242 1.051 2.164
171 HG22 THR 27 1HG2 THR 27 -6.710 0.655 3.056
172 HG23 THR 27 2HG2 THR 27 -6.196 2.335 2.905
173 H LEU 28 H LEU 28 -5.135 0.683 -0.997
174 HA LEU 28 HA LEU 28 -2.707 0.669 0.338
175 HB2 LEU 28 1HB LEU 28 -3.190 -1.159 -1.050
176 HB3 LEU 28 2HB LEU 28 -3.486 -0.127 -2.447
177 HG LEU 28 HG LEU 28 -1.086 0.349 -2.598
178 HD11 LEU 28 1HD1 LEU 28 -0.679 -1.721 -0.457
179 HD12 LEU 28 2HD1 LEU 28 -0.688 0.010 -0.127
180 HD13 LEU 28 3HD1 LEU 28 0.524 -0.674 -1.210
181 HD21 LEU 28 3HD2 LEU 28 -0.608 -1.559 -3.738
182 HD22 LEU 28 1HD2 LEU 28 -2.338 -1.809 -3.508
183 HD23 LEU 28 2HD2 LEU 28 -1.183 -2.612 -2.445
184 H ILE 29 H ILE 29 -3.455 2.266 -2.762
185 HA ILE 29 HA ILE 29 -1.056 3.455 -3.304
186 HB ILE 29 HB ILE 29 -3.855 4.455 -3.745
187 HG12 ILE 29 1HG1 ILE 29 -2.921 4.102 -6.179
188 HG13 ILE 29 2HG1 ILE 29 -1.735 3.091 -5.361
189 HG21 ILE 29 1HG2 ILE 29 -2.627 6.064 -5.386
190 HG22 ILE 29 2HG2 ILE 29 -2.801 6.503 -3.688
191 HG23 ILE 29 3HG2 ILE 29 -1.272 5.852 -4.278
192 HD11 ILE 29 3HD1 ILE 29 -3.220 1.461 -4.949
193 HD12 ILE 29 1HD1 ILE 29 -4.538 2.591 -4.636
194 HD13 ILE 29 2HD1 ILE 29 -4.088 2.198 -6.296
195 H MET 30 H MET 30 -3.652 4.842 -1.294
196 HA MET 30 HA MET 30 -2.440 7.224 -0.599
197 HB2 MET 30 1HB MET 30 -4.085 5.572 1.315
198 HB3 MET 30 2HB MET 30 -3.935 7.323 1.260
199 HG2 MET 30 1HG MET 30 -5.431 5.510 -0.591
200 HG3 MET 30 2HG MET 30 -6.028 6.878 0.345
201 HE1 MET 30 3HE MET 30 -6.628 7.271 -3.316
202 HE2 MET 30 1HE MET 30 -5.135 6.429 -3.732
203 HE3 MET 30 2HE MET 30 -6.216 5.756 -2.511
204 H HIS 31 H HIS 31 -2.012 4.022 0.822
205 HA HIS 31 HA HIS 31 -0.344 4.900 2.960
206 HB2 HIS 31 1HB HIS 31 -1.219 2.854 3.490
207 HB3 HIS 31 2HB HIS 31 -1.180 2.286 1.823
208 HD1 HIS 31 HD1 HIS 31 0.672 2.158 4.987
209 HD2 HIS 31 HD2 HIS 31 1.416 1.338 0.983
210 HE1 HIS 31 HE1 HIS 31 2.773 0.776 4.963
211 H GLN 32 H GLN 32 0.261 3.569 -0.260
212 HA GLN 32 HA GLN 32 2.964 3.123 -0.170
213 HB2 GLN 32 1HB GLN 32 1.338 4.299 -2.428
214 HB3 GLN 32 2HB GLN 32 2.983 3.703 -2.603
215 HG2 GLN 32 1HG GLN 32 2.232 1.474 -1.900
216 HG3 GLN 32 2HG GLN 32 0.581 2.083 -1.788
217 HE21 GLN 32 1HE2 GLN 32 1.718 -0.031 -3.466
218 HE22 GLN 32 2HE2 GLN 32 1.351 0.411 -5.096
219 H ARG 33 H ARG 33 1.329 6.118 0.111
220 HA ARG 33 HA ARG 33 3.167 7.945 -0.867
221 HB2 ARG 33 1HB ARG 33 1.389 8.170 1.568
222 HB3 ARG 33 2HB ARG 33 2.225 9.521 0.814
223 HG2 ARG 33 1HG ARG 33 0.903 9.409 -1.115
224 HG3 ARG 33 2HG ARG 33 0.314 7.794 -0.719
225 HD2 ARG 33 1HD ARG 33 -1.500 9.030 -0.089
226 HD3 ARG 33 2HD ARG 33 -0.597 9.034 1.425
227 HE ARG 33 HE ARG 33 0.136 11.253 -0.170
228 HH11 ARG 33 1HH1 ARG 33 -2.443 10.051 1.836
229 HH12 ARG 33 2HH1 ARG 33 -3.009 11.627 2.279
230 HH21 ARG 33 1HH2 ARG 33 -0.600 13.334 0.405
231 HH22 ARG 33 2HH2 ARG 33 -1.960 13.494 1.463
232 H ILE 34 H ILE 34 3.329 5.944 1.955
233 HA ILE 34 HA ILE 34 5.265 7.411 3.406
234 HB ILE 34 HB ILE 34 5.621 5.408 4.702
235 HG12 ILE 34 1HG1 ILE 34 4.086 4.008 2.503
236 HG13 ILE 34 2HG1 ILE 34 5.779 3.768 2.920
237 HG21 ILE 34 1HG2 ILE 34 3.490 5.188 5.608
238 HG22 ILE 34 2HG2 ILE 34 3.429 6.756 4.804
239 HG23 ILE 34 3HG2 ILE 34 2.701 5.344 4.039
240 HD11 ILE 34 3HD1 ILE 34 3.386 3.050 4.593
241 HD12 ILE 34 1HD1 ILE 34 4.486 1.943 3.771
242 HD13 ILE 34 2HD1 ILE 34 5.062 2.914 5.127
243 H HIS 35 H HIS 35 5.458 5.389 0.629
244 HA HIS 35 HA HIS 35 8.380 5.203 0.886
245 HB2 HIS 35 1HB HIS 35 6.668 3.750 -1.129
246 HB3 HIS 35 2HB HIS 35 8.327 3.390 -0.658
247 HD1 HIS 35 HD1 HIS 35 8.511 2.690 2.031
248 HD2 HIS 35 HD2 HIS 35 4.862 2.173 0.112
249 HE1 HIS 35 HE1 HIS 35 7.234 1.049 3.445
250 H THR 36 H THR 36 5.840 6.714 -0.858
251 HA THR 36 HA THR 36 7.175 7.286 -3.277
252 HB THR 36 HB THR 36 5.492 8.989 -3.651
253 HG1 THR 36 HG1 THR 36 4.516 9.964 -2.036
254 HG21 THR 36 3HG2 THR 36 3.425 7.521 -2.797
255 HG22 THR 36 1HG2 THR 36 4.714 6.342 -2.563
256 HG23 THR 36 2HG2 THR 36 4.435 7.038 -4.159
257 H GLY 37 H GLY 37 8.858 8.566 -3.650
258 HA2 GLY 37 1HA GLY 37 9.844 10.768 -3.556
259 HA3 GLY 37 2HA GLY 37 9.257 10.909 -1.906
260 H GLU 38 H GLU 38 10.250 9.487 -0.282
261 HA GLU 38 HA GLU 38 13.021 9.688 -0.261
262 HB2 GLU 38 1HB GLU 38 11.282 9.214 1.653
263 HB3 GLU 38 2HB GLU 38 11.666 7.533 1.311
264 HG2 GLU 38 1HG GLU 38 13.797 7.709 2.103
265 HG3 GLU 38 2HG GLU 38 13.912 9.428 1.730
266 H LYS 39 H LYS 39 14.594 7.878 -0.069
267 HA LYS 39 HA LYS 39 14.318 6.132 -2.358
268 HB2 LYS 39 1HB LYS 39 16.647 5.602 -2.016
269 HB3 LYS 39 2HB LYS 39 16.434 7.342 -1.872
270 HG2 LYS 39 1HG LYS 39 16.207 6.755 0.689
271 HG3 LYS 39 2HG LYS 39 17.135 5.335 0.200
272 HD2 LYS 39 1HD LYS 39 18.855 6.758 0.677
273 HD3 LYS 39 2HD LYS 39 18.604 7.172 -1.020
274 HE2 LYS 39 1HE LYS 39 17.069 8.644 1.068
275 HE3 LYS 39 2HE LYS 39 18.770 9.038 0.827
276 HZ1 LYS 39 3HZ LYS 39 17.542 8.893 -1.681
277 HZ2 LYS 39 1HZ LYS 39 18.201 10.250 -0.916
278 HZ3 LYS 39 2HZ LYS 39 16.570 9.862 -0.693
279 HA PRO 40 HA PRO 40 13.011 2.543 -0.170
280 HB2 PRO 40 1HB PRO 40 13.903 0.639 -1.887
281 HB3 PRO 40 2HB PRO 40 12.499 1.658 -2.227
282 HG2 PRO 40 1HG PRO 40 15.319 1.933 -3.194
283 HG3 PRO 40 2HG PRO 40 13.804 2.128 -4.094
284 HD2 PRO 40 1HD PRO 40 15.231 4.236 -3.171
285 HD3 PRO 40 2HD PRO 40 13.461 4.265 -3.302
286 H SER 41 H SER 41 13.887 0.413 0.625
287 HA SER 41 HA SER 41 16.775 0.310 0.958
288 HB2 SER 41 1HB SER 41 14.841 0.748 3.227
289 HB3 SER 41 2HB SER 41 16.416 -0.002 3.486
290 HG SER 41 HG SER 41 16.466 2.325 2.010
291 H GLY 42 H GLY 42 17.560 -1.731 1.469
292 HA2 GLY 42 1HA GLY 42 17.264 -3.989 2.233
293 HA3 GLY 42 2HA GLY 42 15.564 -3.869 1.804
294 HA PRO 43 HA PRO 43 18.235 -5.844 -1.613
295 HB2 PRO 43 1HB PRO 43 17.536 -8.438 -1.221
296 HB3 PRO 43 2HB PRO 43 18.939 -7.693 -0.445
297 HG2 PRO 43 1HG PRO 43 16.205 -8.195 0.666
298 HG3 PRO 43 2HG PRO 43 17.785 -8.437 1.432
299 HD2 PRO 43 1HD PRO 43 16.236 -6.275 1.939
300 HD3 PRO 43 2HD PRO 43 18.010 -6.205 1.963
301 H SER 44 H SER 44 16.924 -5.031 -3.197
302 HA SER 44 HA SER 44 14.186 -5.354 -3.473
303 HB2 SER 44 1HB SER 44 15.865 -3.873 -4.809
304 HB3 SER 44 2HB SER 44 15.967 -5.261 -5.891
305 HG SER 44 HG SER 44 13.474 -4.188 -5.124
306 H SER 45 H SER 45 13.093 -6.562 -5.302
307 HA SER 45 HA SER 45 14.258 -9.231 -5.694
308 HB2 SER 45 1HB SER 45 12.555 -9.162 -3.794
309 HB3 SER 45 2HB SER 45 11.341 -8.827 -5.029
310 HG SER 45 HG SER 45 13.069 -11.013 -5.355
311 H GLY 46 H GLY 46 14.432 -9.567 -7.803
312 HA2 GLY 46 1HA GLY 46 13.444 -8.062 -9.855
313 HA3 GLY 46 2HA GLY 46 13.825 -9.770 -10.017
Start of MODEL 18
1 H1 GLY 1 H GLY 1 8.112 -20.329 -20.840
2 HA2 GLY 1 1HA GLY 1 9.666 -21.672 -18.725
3 HA3 GLY 1 2HA GLY 1 9.220 -19.972 -18.726
4 H SER 2 H SER 2 8.772 -21.588 -16.525
5 HA SER 2 HA SER 2 5.854 -21.987 -16.578
6 HB2 SER 2 1HB SER 2 6.170 -23.510 -14.666
7 HB3 SER 2 2HB SER 2 7.103 -24.036 -16.066
8 HG SER 2 HG SER 2 7.971 -22.996 -13.629
9 H SER 3 H SER 3 5.397 -19.791 -16.165
10 HA SER 3 HA SER 3 6.189 -18.829 -13.497
11 HB2 SER 3 1HB SER 3 6.858 -17.396 -15.424
12 HB3 SER 3 2HB SER 3 5.154 -17.203 -15.833
13 HG SER 3 HG SER 3 4.916 -16.350 -13.643
14 H GLY 4 H GLY 4 4.544 -20.037 -12.438
15 HA2 GLY 4 1HA GLY 4 1.791 -19.802 -13.120
16 HA3 GLY 4 2HA GLY 4 2.434 -20.421 -11.606
17 H SER 5 H SER 5 0.251 -18.409 -12.487
18 HA SER 5 HA SER 5 0.891 -16.457 -10.393
19 HB2 SER 5 1HB SER 5 1.358 -15.454 -12.644
20 HB3 SER 5 2HB SER 5 -0.342 -15.687 -13.048
21 HG SER 5 HG SER 5 -0.620 -14.447 -10.927
22 H SER 6 H SER 6 -0.597 -16.805 -8.886
23 HA SER 6 HA SER 6 -3.385 -17.231 -9.744
24 HB2 SER 6 1HB SER 6 -3.748 -18.652 -7.873
25 HB3 SER 6 2HB SER 6 -2.216 -19.172 -8.573
26 HG SER 6 HG SER 6 -2.389 -18.793 -6.173
27 H GLY 7 H GLY 7 -5.003 -16.557 -8.038
28 HA2 GLY 7 1HA GLY 7 -4.937 -15.026 -5.931
29 HA3 GLY 7 2HA GLY 7 -4.233 -13.893 -7.075
30 H THR 8 H THR 8 -7.020 -16.119 -6.989
31 HA THR 8 HA THR 8 -8.675 -13.901 -8.007
32 HB THR 8 HB THR 8 -9.074 -16.843 -8.585
33 HG1 THR 8 HG1 THR 8 -8.231 -16.401 -10.586
34 HG21 THR 8 3HG2 THR 8 -10.868 -14.680 -8.696
35 HG22 THR 8 1HG2 THR 8 -11.096 -16.300 -9.351
36 HG23 THR 8 2HG2 THR 8 -10.413 -15.028 -10.363
37 H GLY 9 H GLY 9 -9.487 -13.229 -6.043
38 HA2 GLY 9 1HA GLY 9 -11.799 -14.261 -5.050
39 HA3 GLY 9 2HA GLY 9 -10.557 -15.104 -4.136
40 H GLU 10 H GLU 10 -9.474 -14.055 -2.523
41 HA GLU 10 HA GLU 10 -10.666 -12.007 -1.147
42 HB2 GLU 10 1HB GLU 10 -9.006 -13.315 -0.053
43 HB3 GLU 10 2HB GLU 10 -7.777 -12.864 -1.226
44 HG2 GLU 10 1HG GLU 10 -7.396 -10.839 -0.265
45 HG3 GLU 10 2HG GLU 10 -9.041 -10.697 0.353
46 H ARG 11 H ARG 11 -10.913 -9.900 -1.462
47 HA ARG 11 HA ARG 11 -9.513 -8.609 -3.651
48 HB2 ARG 11 1HB ARG 11 -11.047 -6.729 -3.225
49 HB3 ARG 11 2HB ARG 11 -11.909 -8.247 -3.440
50 HG2 ARG 11 1HG ARG 11 -11.761 -8.332 -0.820
51 HG3 ARG 11 2HG ARG 11 -11.569 -6.586 -0.999
52 HD2 ARG 11 1HD ARG 11 -13.685 -6.301 -1.830
53 HD3 ARG 11 2HD ARG 11 -13.758 -7.931 -2.497
54 HE ARG 11 HE ARG 11 -13.715 -8.318 0.196
55 HH11 ARG 11 1HH1 ARG 11 -15.707 -6.461 -1.972
56 HH12 ARG 11 2HH1 ARG 11 -17.127 -6.590 -0.987
57 HH21 ARG 11 1HH2 ARG 11 -15.577 -8.496 1.501
58 HH22 ARG 11 2HH2 ARG 11 -17.051 -7.747 0.989
59 H HIS 12 H HIS 12 -7.996 -9.338 -1.280
60 HA HIS 12 HA HIS 12 -7.404 -6.773 -0.018
61 HB2 HIS 12 1HB HIS 12 -7.548 -9.181 1.108
62 HB3 HIS 12 2HB HIS 12 -5.855 -9.238 0.625
63 HD1 HIS 12 HD1 HIS 12 -7.961 -8.185 3.329
64 HD2 HIS 12 HD2 HIS 12 -4.389 -6.851 1.678
65 HE1 HIS 12 HE1 HIS 12 -6.904 -6.737 5.093
66 H TYR 13 H TYR 13 -5.911 -5.482 -0.844
67 HA TYR 13 HA TYR 13 -3.888 -6.610 -2.642
68 HB2 TYR 13 1HB TYR 13 -4.718 -3.730 -2.231
69 HB3 TYR 13 2HB TYR 13 -3.566 -4.308 -3.430
70 HD1 TYR 13 HD2 TYR 13 -7.078 -5.022 -2.352
71 HD2 TYR 13 HD1 TYR 13 -4.348 -4.553 -5.581
72 HE1 TYR 13 HE2 TYR 13 -8.918 -5.358 -3.949
73 HE2 TYR 13 HE1 TYR 13 -6.180 -4.887 -7.187
74 HH TYR 13 HH TYR 13 -9.360 -4.658 -6.420
75 H GLU 14 H GLU 14 -1.812 -6.715 -2.080
76 HA GLU 14 HA GLU 14 -1.009 -5.499 0.465
77 HB2 GLU 14 1HB GLU 14 -0.729 -8.039 -0.234
78 HB3 GLU 14 2HB GLU 14 0.730 -7.430 -1.002
79 HG2 GLU 14 1HG GLU 14 1.668 -6.768 1.029
80 HG3 GLU 14 2HG GLU 14 0.121 -6.845 1.870
81 H CYS 15 H CYS 15 1.117 -4.528 0.639
82 HA CYS 15 HA CYS 15 1.715 -2.904 -1.698
83 HB2 CYS 15 1HB CYS 15 1.492 -1.815 0.496
84 HB3 CYS 15 2HB CYS 15 2.827 -2.784 1.114
85 H SER 16 H SER 16 3.126 -3.634 -3.136
86 HA SER 16 HA SER 16 4.942 -5.743 -2.653
87 HB2 SER 16 1HB SER 16 3.973 -5.059 -4.895
88 HB3 SER 16 2HB SER 16 5.131 -3.730 -4.899
89 HG SER 16 HG SER 16 6.618 -5.724 -4.383
90 H GLU 17 H GLU 17 5.065 -2.570 -1.681
91 HA GLU 17 HA GLU 17 7.924 -2.203 -1.951
92 HB2 GLU 17 1HB GLU 17 5.976 -0.408 -1.909
93 HB3 GLU 17 2HB GLU 17 6.256 -0.480 -0.175
94 HG2 GLU 17 1HG GLU 17 7.535 1.317 -1.094
95 HG3 GLU 17 2HG GLU 17 8.636 0.042 -0.574
96 H CYS 18 H CYS 18 5.613 -2.652 0.716
97 HA CYS 18 HA CYS 18 7.870 -3.525 2.400
98 HB2 CYS 18 1HB CYS 18 6.504 -2.786 4.349
99 HB3 CYS 18 2HB CYS 18 6.960 -1.466 3.277
100 H GLY 19 H GLY 19 4.387 -3.950 1.809
101 HA2 GLY 19 1HA GLY 19 3.794 -6.362 1.381
102 HA3 GLY 19 2HA GLY 19 4.644 -6.690 2.884
103 H LYS 20 H LYS 20 2.916 -3.761 2.876
104 HA LYS 20 HA LYS 20 1.169 -4.651 4.939
105 HB2 LYS 20 1HB LYS 20 1.549 -2.098 3.427
106 HB3 LYS 20 2HB LYS 20 0.093 -2.309 4.390
107 HG2 LYS 20 1HG LYS 20 1.847 -3.014 6.236
108 HG3 LYS 20 2HG LYS 20 2.916 -2.012 5.251
109 HD2 LYS 20 1HD LYS 20 2.078 -0.421 6.666
110 HD3 LYS 20 2HD LYS 20 0.879 -0.335 5.373
111 HE2 LYS 20 1HE LYS 20 -0.336 -0.402 7.400
112 HE3 LYS 20 2HE LYS 20 -0.477 -2.008 6.689
113 HZ1 LYS 20 3HZ LYS 20 1.014 -1.154 9.066
114 HZ2 LYS 20 1HZ LYS 20 1.598 -2.468 8.174
115 HZ3 LYS 20 2HZ LYS 20 0.043 -2.521 8.838
116 H ALA 21 H ALA 21 -0.780 -5.546 4.793
117 HA ALA 21 HA ALA 21 -2.016 -5.810 2.165
118 HB1 ALA 21 3HB ALA 21 -3.214 -7.064 4.574
119 HB2 ALA 21 1HB ALA 21 -3.046 -7.691 2.934
120 HB3 ALA 21 2HB ALA 21 -1.653 -7.667 4.016
121 H PHE 22 H PHE 22 -3.972 -4.979 1.602
122 HA PHE 22 HA PHE 22 -5.439 -3.433 3.626
123 HB2 PHE 22 1HB PHE 22 -4.739 -2.510 0.832
124 HB3 PHE 22 2HB PHE 22 -5.847 -1.673 1.914
125 HD1 PHE 22 HD1 PHE 22 -4.994 -0.638 3.992
126 HD2 PHE 22 HD2 PHE 22 -2.392 -2.306 1.066
127 HE1 PHE 22 HE1 PHE 22 -3.105 0.595 4.974
128 HE2 PHE 22 HE2 PHE 22 -0.499 -1.076 2.043
129 HZ PHE 22 HZ PHE 22 -0.853 0.376 4.000
130 H ALA 23 H ALA 23 -7.687 -3.057 3.112
131 HA ALA 23 HA ALA 23 -8.871 -5.350 1.813
132 HB1 ALA 23 3HB ALA 23 -10.620 -3.175 2.761
133 HB2 ALA 23 1HB ALA 23 -10.718 -4.914 3.033
134 HB3 ALA 23 2HB ALA 23 -9.599 -3.934 3.981
135 H ARG 24 H ARG 24 -8.541 -1.904 1.218
136 HA ARG 24 HA ARG 24 -10.003 -2.229 -1.317
137 HB2 ARG 24 1HB ARG 24 -9.322 0.394 0.002
138 HB3 ARG 24 2HB ARG 24 -10.498 0.093 -1.271
139 HG2 ARG 24 1HG ARG 24 -11.930 0.246 0.468
140 HG3 ARG 24 2HG ARG 24 -11.540 -1.468 0.616
141 HD2 ARG 24 1HD ARG 24 -9.653 -0.710 2.172
142 HD3 ARG 24 2HD ARG 24 -10.488 0.842 2.218
143 HE ARG 24 HE ARG 24 -11.262 -1.571 3.548
144 HH11 ARG 24 1HH1 ARG 24 -12.434 1.396 2.154
145 HH12 ARG 24 2HH1 ARG 24 -13.864 1.443 3.132
146 HH21 ARG 24 1HH2 ARG 24 -13.140 -1.520 4.841
147 HH22 ARG 24 2HH2 ARG 24 -14.264 -0.216 4.660
148 H LYS 25 H LYS 25 -9.105 -1.471 -3.238
149 HA LYS 25 HA LYS 25 -6.331 -1.774 -3.532
150 HB2 LYS 25 1HB LYS 25 -7.772 -2.191 -5.403
151 HB3 LYS 25 2HB LYS 25 -8.409 -0.552 -5.350
152 HG2 LYS 25 1HG LYS 25 -6.919 -0.589 -7.157
153 HG3 LYS 25 2HG LYS 25 -6.052 0.230 -5.856
154 HD2 LYS 25 1HD LYS 25 -4.982 -1.966 -5.305
155 HD3 LYS 25 2HD LYS 25 -5.727 -2.628 -6.762
156 HE2 LYS 25 1HE LYS 25 -4.498 -1.138 -8.157
157 HE3 LYS 25 2HE LYS 25 -3.927 -0.213 -6.769
158 HZ1 LYS 25 3HZ LYS 25 -2.121 -1.500 -7.011
159 HZ2 LYS 25 1HZ LYS 25 -2.945 -2.713 -7.856
160 HZ3 LYS 25 2HZ LYS 25 -3.030 -2.652 -6.168
161 H SER 26 H SER 26 -8.258 1.199 -3.974
162 HA SER 26 HA SER 26 -6.214 3.005 -4.254
163 HB2 SER 26 1HB SER 26 -8.854 3.282 -4.208
164 HB3 SER 26 2HB SER 26 -8.534 3.822 -2.560
165 HG SER 26 HG SER 26 -8.051 5.656 -3.449
166 H THR 27 H THR 27 -7.738 2.002 -1.198
167 HA THR 27 HA THR 27 -6.470 3.512 0.643
168 HB THR 27 HB THR 27 -6.947 0.533 0.815
169 HG1 THR 27 HG1 THR 27 -8.482 2.833 1.256
170 HG21 THR 27 3HG2 THR 27 -5.631 0.689 2.645
171 HG22 THR 27 1HG2 THR 27 -7.064 1.414 3.372
172 HG23 THR 27 2HG2 THR 27 -5.782 2.444 2.732
173 H LEU 28 H LEU 28 -5.067 0.746 -1.053
174 HA LEU 28 HA LEU 28 -2.623 0.721 0.386
175 HB2 LEU 28 1HB LEU 28 -3.129 -1.259 -0.726
176 HB3 LEU 28 2HB LEU 28 -3.541 -0.424 -2.222
177 HG LEU 28 HG LEU 28 -1.131 0.074 -2.548
178 HD11 LEU 28 1HD1 LEU 28 -0.993 -1.132 0.113
179 HD12 LEU 28 2HD1 LEU 28 0.116 -0.023 -0.693
180 HD13 LEU 28 3HD1 LEU 28 0.200 -1.752 -1.028
181 HD21 LEU 28 3HD2 LEU 28 -2.447 -2.065 -3.314
182 HD22 LEU 28 1HD2 LEU 28 -1.345 -2.877 -2.203
183 HD23 LEU 28 2HD2 LEU 28 -0.704 -1.941 -3.554
184 H ILE 29 H ILE 29 -3.728 2.391 -2.497
185 HA ILE 29 HA ILE 29 -1.245 3.294 -3.443
186 HB ILE 29 HB ILE 29 -4.047 4.316 -3.746
187 HG12 ILE 29 1HG1 ILE 29 -3.247 3.889 -6.218
188 HG13 ILE 29 2HG1 ILE 29 -2.014 2.909 -5.433
189 HG21 ILE 29 1HG2 ILE 29 -2.976 6.369 -3.794
190 HG22 ILE 29 2HG2 ILE 29 -1.510 5.701 -4.511
191 HG23 ILE 29 3HG2 ILE 29 -2.963 5.893 -5.492
192 HD11 ILE 29 3HD1 ILE 29 -3.467 1.244 -5.429
193 HD12 ILE 29 1HD1 ILE 29 -4.411 2.146 -4.244
194 HD13 ILE 29 2HD1 ILE 29 -4.770 2.306 -5.963
195 H MET 30 H MET 30 -3.581 4.837 -1.248
196 HA MET 30 HA MET 30 -2.175 7.221 -0.843
197 HB2 MET 30 1HB MET 30 -3.868 5.869 1.253
198 HB3 MET 30 2HB MET 30 -3.597 7.591 1.028
199 HG2 MET 30 1HG MET 30 -5.339 5.733 -0.521
200 HG3 MET 30 2HG MET 30 -5.724 7.294 0.198
201 HE1 MET 30 3HE MET 30 -6.043 5.666 -2.472
202 HE2 MET 30 1HE MET 30 -6.546 7.118 -3.337
203 HE3 MET 30 2HE MET 30 -5.117 6.229 -3.864
204 H HIS 31 H HIS 31 -1.892 4.072 0.694
205 HA HIS 31 HA HIS 31 -0.176 4.896 2.801
206 HB2 HIS 31 1HB HIS 31 -1.109 2.860 3.299
207 HB3 HIS 31 2HB HIS 31 -1.034 2.297 1.632
208 HD1 HIS 31 HD1 HIS 31 0.772 2.194 4.835
209 HD2 HIS 31 HD2 HIS 31 1.542 1.284 0.855
210 HE1 HIS 31 HE1 HIS 31 2.855 0.784 4.859
211 H GLN 32 H GLN 32 0.420 3.449 -0.385
212 HA GLN 32 HA GLN 32 3.136 3.061 -0.269
213 HB2 GLN 32 1HB GLN 32 1.398 3.963 -2.561
214 HB3 GLN 32 2HB GLN 32 3.103 3.580 -2.761
215 HG2 GLN 32 1HG GLN 32 2.498 1.325 -1.679
216 HG3 GLN 32 2HG GLN 32 0.835 1.762 -2.065
217 HE21 GLN 32 1HE2 GLN 32 0.208 0.718 -3.805
218 HE22 GLN 32 2HE2 GLN 32 1.136 0.479 -5.243
219 H ARG 33 H ARG 33 1.384 6.064 -0.550
220 HA ARG 33 HA ARG 33 3.344 7.773 -1.496
221 HB2 ARG 33 1HB ARG 33 1.346 8.431 0.674
222 HB3 ARG 33 2HB ARG 33 2.131 9.565 -0.417
223 HG2 ARG 33 1HG ARG 33 0.946 8.643 -2.302
224 HG3 ARG 33 2HG ARG 33 0.240 7.388 -1.281
225 HD2 ARG 33 1HD ARG 33 -0.329 10.329 -1.327
226 HD3 ARG 33 2HD ARG 33 -1.455 8.979 -1.465
227 HE ARG 33 HE ARG 33 -0.508 8.646 1.014
228 HH11 ARG 33 1HH1 ARG 33 -1.709 11.466 -0.638
229 HH12 ARG 33 2HH1 ARG 33 -2.310 12.215 0.804
230 HH21 ARG 33 1HH2 ARG 33 -1.296 9.622 2.919
231 HH22 ARG 33 2HH2 ARG 33 -2.075 11.166 2.827
232 H ILE 34 H ILE 34 2.991 6.322 1.658
233 HA ILE 34 HA ILE 34 4.694 7.991 3.131
234 HB ILE 34 HB ILE 34 4.722 6.352 4.795
235 HG12 ILE 34 1HG1 ILE 34 4.142 4.288 2.659
236 HG13 ILE 34 2HG1 ILE 34 5.700 4.549 3.437
237 HG21 ILE 34 1HG2 ILE 34 2.305 6.807 3.356
238 HG22 ILE 34 2HG2 ILE 34 2.282 5.169 4.006
239 HG23 ILE 34 3HG2 ILE 34 2.531 6.542 5.084
240 HD11 ILE 34 3HD1 ILE 34 4.786 2.689 4.507
241 HD12 ILE 34 1HD1 ILE 34 4.508 4.027 5.621
242 HD13 ILE 34 2HD1 ILE 34 3.188 3.426 4.617
243 H HIS 35 H HIS 35 5.358 5.281 1.001
244 HA HIS 35 HA HIS 35 8.111 5.027 1.710
245 HB2 HIS 35 1HB HIS 35 6.580 4.076 -0.718
246 HB3 HIS 35 2HB HIS 35 8.252 3.647 -0.370
247 HD1 HIS 35 HD1 HIS 35 8.409 2.603 2.287
248 HD2 HIS 35 HD2 HIS 35 4.918 2.120 0.086
249 HE1 HIS 35 HE1 HIS 35 7.203 0.671 3.354
250 H THR 36 H THR 36 6.371 6.629 -0.929
251 HA THR 36 HA THR 36 8.879 7.809 -1.873
252 HB THR 36 HB THR 36 7.434 6.812 -3.582
253 HG1 THR 36 HG1 THR 36 7.257 8.782 -4.895
254 HG21 THR 36 3HG2 THR 36 5.291 7.314 -2.336
255 HG22 THR 36 1HG2 THR 36 5.251 7.613 -4.073
256 HG23 THR 36 2HG2 THR 36 5.419 8.962 -2.951
257 H GLY 37 H GLY 37 9.459 9.720 -1.087
258 HA2 GLY 37 1HA GLY 37 7.594 11.906 -0.976
259 HA3 GLY 37 2HA GLY 37 8.085 11.347 0.616
260 H GLU 38 H GLU 38 9.963 11.610 -2.386
261 HA GLU 38 HA GLU 38 11.682 13.581 -1.032
262 HB2 GLU 38 1HB GLU 38 13.532 12.477 -2.510
263 HB3 GLU 38 2HB GLU 38 13.068 11.733 -0.987
264 HG2 GLU 38 1HG GLU 38 11.943 10.001 -2.020
265 HG3 GLU 38 2HG GLU 38 11.738 10.897 -3.525
266 H LYS 39 H LYS 39 10.187 15.041 -2.233
267 HA LYS 39 HA LYS 39 10.770 15.215 -5.100
268 HB2 LYS 39 1HB LYS 39 8.663 16.496 -3.363
269 HB3 LYS 39 2HB LYS 39 8.940 16.983 -5.030
270 HG2 LYS 39 1HG LYS 39 8.447 14.110 -4.394
271 HG3 LYS 39 2HG LYS 39 7.095 15.243 -4.466
272 HD2 LYS 39 1HD LYS 39 9.108 15.042 -6.686
273 HD3 LYS 39 2HD LYS 39 7.705 13.974 -6.607
274 HE2 LYS 39 1HE LYS 39 7.327 16.926 -6.364
275 HE3 LYS 39 2HE LYS 39 7.599 16.217 -7.955
276 HZ1 LYS 39 3HZ LYS 39 5.234 16.245 -6.409
277 HZ2 LYS 39 1HZ LYS 39 5.691 14.645 -6.712
278 HZ3 LYS 39 2HZ LYS 39 5.457 15.716 -8.000
279 HA PRO 40 HA PRO 40 13.593 18.545 -4.518
280 HB2 PRO 40 1HB PRO 40 13.450 19.652 -6.992
281 HB3 PRO 40 2HB PRO 40 14.288 18.130 -6.668
282 HG2 PRO 40 1HG PRO 40 11.546 18.584 -7.781
283 HG3 PRO 40 2HG PRO 40 12.787 17.428 -8.299
284 HD2 PRO 40 1HD PRO 40 10.685 16.712 -6.749
285 HD3 PRO 40 2HD PRO 40 12.275 15.934 -6.620
286 H SER 41 H SER 41 13.708 20.867 -4.471
287 HA SER 41 HA SER 41 11.069 22.092 -4.100
288 HB2 SER 41 1HB SER 41 12.796 22.102 -2.235
289 HB3 SER 41 2HB SER 41 13.731 23.222 -3.225
290 HG SER 41 HG SER 41 11.045 23.824 -2.799
291 H GLY 42 H GLY 42 10.785 22.341 -6.418
292 HA2 GLY 42 1HA GLY 42 12.495 24.399 -7.640
293 HA3 GLY 42 2HA GLY 42 11.426 23.309 -8.511
294 HA PRO 43 HA PRO 43 8.449 26.523 -8.743
295 HB2 PRO 43 1HB PRO 43 6.176 25.056 -8.968
296 HB3 PRO 43 2HB PRO 43 7.352 25.211 -10.278
297 HG2 PRO 43 1HG PRO 43 6.990 22.983 -8.311
298 HG3 PRO 43 2HG PRO 43 7.296 22.897 -10.056
299 HD2 PRO 43 1HD PRO 43 9.249 22.538 -8.215
300 HD3 PRO 43 2HD PRO 43 9.557 23.265 -9.806
301 H SER 44 H SER 44 8.786 27.276 -6.552
302 HA SER 44 HA SER 44 7.550 26.202 -4.285
303 HB2 SER 44 1HB SER 44 8.555 28.941 -4.994
304 HB3 SER 44 2HB SER 44 7.704 28.677 -3.473
305 HG SER 44 HG SER 44 9.525 27.956 -2.743
306 H SER 45 H SER 45 5.436 25.723 -4.291
307 HA SER 45 HA SER 45 3.379 26.820 -5.693
308 HB2 SER 45 1HB SER 45 1.865 25.928 -4.031
309 HB3 SER 45 2HB SER 45 3.226 24.819 -4.200
310 HG SER 45 HG SER 45 3.698 25.155 -2.187
311 H GLY 46 H GLY 46 1.614 28.264 -5.055
312 HA2 GLY 46 1HA GLY 46 2.477 30.394 -3.207
313 HA3 GLY 46 2HA GLY 46 1.898 30.790 -4.818
Start of MODEL 19
1 H1 GLY 1 H GLY 1 5.947 -27.946 9.283
2 HA2 GLY 1 1HA GLY 1 3.872 -28.667 8.386
3 HA3 GLY 1 2HA GLY 1 3.648 -26.941 8.630
4 H SER 2 H SER 2 2.094 -26.918 6.947
5 HA SER 2 HA SER 2 3.227 -26.372 4.373
6 HB2 SER 2 1HB SER 2 1.798 -28.939 4.874
7 HB3 SER 2 2HB SER 2 1.466 -28.101 3.358
8 HG SER 2 HG SER 2 3.263 -28.935 2.687
9 H SER 3 H SER 3 2.207 -24.559 3.868
10 HA SER 3 HA SER 3 -0.521 -24.107 4.783
11 HB2 SER 3 1HB SER 3 -0.169 -21.793 4.087
12 HB3 SER 3 2HB SER 3 1.183 -22.333 5.081
13 HG SER 3 HG SER 3 2.325 -22.727 3.106
14 H GLY 4 H GLY 4 -2.282 -23.856 3.473
15 HA2 GLY 4 1HA GLY 4 -1.885 -24.020 0.568
16 HA3 GLY 4 2HA GLY 4 -2.889 -25.234 1.348
17 H SER 5 H SER 5 -3.115 -22.605 -0.467
18 HA SER 5 HA SER 5 -5.569 -21.658 0.864
19 HB2 SER 5 1HB SER 5 -3.849 -19.909 0.786
20 HB3 SER 5 2HB SER 5 -3.714 -20.108 -0.961
21 HG SER 5 HG SER 5 -5.786 -18.976 0.553
22 H SER 6 H SER 6 -7.423 -21.476 -0.332
23 HA SER 6 HA SER 6 -7.346 -21.969 -3.198
24 HB2 SER 6 1HB SER 6 -7.475 -24.227 -2.263
25 HB3 SER 6 2HB SER 6 -8.872 -23.762 -1.293
26 HG SER 6 HG SER 6 -8.688 -23.984 -4.109
27 H GLY 7 H GLY 7 -9.083 -21.124 -4.297
28 HA2 GLY 7 1HA GLY 7 -11.215 -20.174 -4.549
29 HA3 GLY 7 2HA GLY 7 -11.387 -20.152 -2.800
30 H THR 8 H THR 8 -11.129 -18.223 -5.417
31 HA THR 8 HA THR 8 -9.339 -16.259 -5.115
32 HB THR 8 HB THR 8 -12.298 -15.741 -5.470
33 HG1 THR 8 HG1 THR 8 -11.424 -17.210 -7.014
34 HG21 THR 8 3HG2 THR 8 -10.741 -13.774 -4.947
35 HG22 THR 8 1HG2 THR 8 -11.741 -13.655 -6.394
36 HG23 THR 8 2HG2 THR 8 -10.033 -14.075 -6.534
37 H GLY 9 H GLY 9 -12.196 -16.671 -3.056
38 HA2 GLY 9 1HA GLY 9 -12.692 -15.841 -0.975
39 HA3 GLY 9 2HA GLY 9 -10.962 -15.622 -0.764
40 H GLU 10 H GLU 10 -10.434 -13.615 -0.252
41 HA GLU 10 HA GLU 10 -12.156 -11.423 -1.181
42 HB2 GLU 10 1HB GLU 10 -10.453 -11.840 1.228
43 HB3 GLU 10 2HB GLU 10 -10.644 -10.197 0.633
44 HG2 GLU 10 1HG GLU 10 -12.911 -10.157 1.075
45 HG3 GLU 10 2HG GLU 10 -13.044 -11.915 1.081
46 H ARG 11 H ARG 11 -11.095 -9.380 -1.759
47 HA ARG 11 HA ARG 11 -8.658 -9.905 -3.305
48 HB2 ARG 11 1HB ARG 11 -10.968 -8.052 -3.612
49 HB3 ARG 11 2HB ARG 11 -9.408 -7.514 -4.219
50 HG2 ARG 11 1HG ARG 11 -10.693 -10.124 -4.984
51 HG3 ARG 11 2HG ARG 11 -10.859 -8.630 -5.908
52 HD2 ARG 11 1HD ARG 11 -9.088 -9.559 -7.006
53 HD3 ARG 11 2HD ARG 11 -8.221 -8.665 -5.758
54 HE ARG 11 HE ARG 11 -8.853 -11.327 -4.943
55 HH11 ARG 11 1HH1 ARG 11 -6.623 -9.410 -6.806
56 HH12 ARG 11 2HH1 ARG 11 -5.319 -10.540 -6.652
57 HH21 ARG 11 1HH2 ARG 11 -7.143 -12.823 -4.732
58 HH22 ARG 11 2HH2 ARG 11 -5.616 -12.481 -5.473
59 H HIS 12 H HIS 12 -7.327 -9.741 -1.382
60 HA HIS 12 HA HIS 12 -7.099 -7.075 -0.208
61 HB2 HIS 12 1HB HIS 12 -5.781 -8.069 1.503
62 HB3 HIS 12 2HB HIS 12 -7.113 -9.182 1.204
63 HD1 HIS 12 HD1 HIS 12 -6.526 -11.417 -0.032
64 HD2 HIS 12 HD2 HIS 12 -3.251 -9.068 0.980
65 HE1 HIS 12 HE1 HIS 12 -4.522 -12.915 -0.279
66 H TYR 13 H TYR 13 -5.835 -5.669 -1.220
67 HA TYR 13 HA TYR 13 -3.662 -6.584 -2.914
68 HB2 TYR 13 1HB TYR 13 -4.716 -3.805 -2.352
69 HB3 TYR 13 2HB TYR 13 -3.451 -4.183 -3.515
70 HD1 TYR 13 HD2 TYR 13 -6.946 -5.239 -2.700
71 HD2 TYR 13 HD1 TYR 13 -4.071 -4.405 -5.724
72 HE1 TYR 13 HE2 TYR 13 -8.655 -5.628 -4.425
73 HE2 TYR 13 HE1 TYR 13 -5.773 -4.790 -7.457
74 HH TYR 13 HH TYR 13 -7.842 -5.624 -7.853
75 H GLU 14 H GLU 14 -1.640 -6.781 -2.238
76 HA GLU 14 HA GLU 14 -0.867 -5.552 0.304
77 HB2 GLU 14 1HB GLU 14 -0.546 -8.077 -0.410
78 HB3 GLU 14 2HB GLU 14 0.904 -7.445 -1.179
79 HG2 GLU 14 1HG GLU 14 1.883 -6.870 0.826
80 HG3 GLU 14 2HG GLU 14 0.341 -6.799 1.678
81 H CYS 15 H CYS 15 1.255 -4.566 0.509
82 HA CYS 15 HA CYS 15 1.861 -2.920 -1.817
83 HB2 CYS 15 1HB CYS 15 1.548 -1.832 0.373
84 HB3 CYS 15 2HB CYS 15 2.901 -2.755 1.020
85 H SER 16 H SER 16 3.327 -3.630 -3.209
86 HA SER 16 HA SER 16 5.157 -5.704 -2.697
87 HB2 SER 16 1HB SER 16 4.426 -5.226 -4.961
88 HB3 SER 16 2HB SER 16 5.136 -3.613 -4.886
89 HG SER 16 HG SER 16 6.690 -4.744 -5.853
90 H GLU 17 H GLU 17 5.209 -2.539 -1.662
91 HA GLU 17 HA GLU 17 8.077 -2.165 -1.765
92 HB2 GLU 17 1HB GLU 17 6.250 -0.333 -1.888
93 HB3 GLU 17 2HB GLU 17 6.180 -0.496 -0.139
94 HG2 GLU 17 1HG GLU 17 7.672 1.327 -1.117
95 HG3 GLU 17 2HG GLU 17 8.343 0.300 0.149
96 H CYS 18 H CYS 18 5.636 -2.536 0.804
97 HA CYS 18 HA CYS 18 7.792 -3.460 2.589
98 HB2 CYS 18 1HB CYS 18 6.344 -2.732 4.464
99 HB3 CYS 18 2HB CYS 18 6.794 -1.401 3.403
100 H GLY 19 H GLY 19 4.347 -3.901 1.810
101 HA2 GLY 19 1HA GLY 19 3.775 -6.300 1.323
102 HA3 GLY 19 2HA GLY 19 4.576 -6.659 2.846
103 H LYS 20 H LYS 20 2.813 -3.740 2.806
104 HA LYS 20 HA LYS 20 1.020 -4.659 4.815
105 HB2 LYS 20 1HB LYS 20 1.484 -2.108 3.357
106 HB3 LYS 20 2HB LYS 20 -0.082 -2.321 4.130
107 HG2 LYS 20 1HG LYS 20 1.427 -3.025 6.181
108 HG3 LYS 20 2HG LYS 20 2.611 -2.023 5.339
109 HD2 LYS 20 1HD LYS 20 1.332 -0.101 5.565
110 HD3 LYS 20 2HD LYS 20 -0.166 -1.004 5.800
111 HE2 LYS 20 1HE LYS 20 0.267 -1.407 8.017
112 HE3 LYS 20 2HE LYS 20 2.014 -1.308 7.805
113 HZ1 LYS 20 3HZ LYS 20 1.877 0.748 8.587
114 HZ2 LYS 20 1HZ LYS 20 0.185 0.725 8.563
115 HZ3 LYS 20 2HZ LYS 20 1.044 1.193 7.184
116 H ALA 21 H ALA 21 -0.806 -5.744 4.550
117 HA ALA 21 HA ALA 21 -2.024 -5.891 1.904
118 HB1 ALA 21 3HB ALA 21 -2.233 -8.019 2.512
119 HB2 ALA 21 1HB ALA 21 -1.832 -7.647 4.189
120 HB3 ALA 21 2HB ALA 21 -3.497 -7.499 3.626
121 H PHE 22 H PHE 22 -3.730 -4.712 1.358
122 HA PHE 22 HA PHE 22 -5.402 -3.586 3.507
123 HB2 PHE 22 1HB PHE 22 -4.863 -2.400 0.776
124 HB3 PHE 22 2HB PHE 22 -5.838 -1.674 2.050
125 HD1 PHE 22 HD2 PHE 22 -2.433 -2.511 0.977
126 HD2 PHE 22 HD1 PHE 22 -4.825 -0.579 3.920
127 HE1 PHE 22 HE2 PHE 22 -0.430 -1.394 1.867
128 HE2 PHE 22 HE1 PHE 22 -2.825 0.543 4.814
129 HZ PHE 22 HZ PHE 22 -0.624 0.135 3.788
130 H ALA 23 H ALA 23 -7.661 -3.082 2.815
131 HA ALA 23 HA ALA 23 -8.763 -5.394 1.452
132 HB1 ALA 23 3HB ALA 23 -10.693 -4.992 2.573
133 HB2 ALA 23 1HB ALA 23 -9.594 -4.116 3.639
134 HB3 ALA 23 2HB ALA 23 -10.540 -3.240 2.435
135 H ARG 24 H ARG 24 -8.772 -1.865 1.084
136 HA ARG 24 HA ARG 24 -10.022 -2.166 -1.552
137 HB2 ARG 24 1HB ARG 24 -9.495 0.402 -0.056
138 HB3 ARG 24 2HB ARG 24 -10.550 0.168 -1.443
139 HG2 ARG 24 1HG ARG 24 -12.229 -0.728 -0.196
140 HG3 ARG 24 2HG ARG 24 -11.126 -1.397 1.008
141 HD2 ARG 24 1HD ARG 24 -10.875 0.662 2.089
142 HD3 ARG 24 2HD ARG 24 -11.502 1.563 0.710
143 HE ARG 24 HE ARG 24 -13.016 0.402 2.831
144 HH11 ARG 24 1HH1 ARG 24 -13.096 1.222 -0.552
145 HH12 ARG 24 2HH1 ARG 24 -14.821 1.371 -0.609
146 HH21 ARG 24 1HH2 ARG 24 -15.288 0.596 2.769
147 HH22 ARG 24 2HH2 ARG 24 -16.067 1.015 1.281
148 H LYS 25 H LYS 25 -9.053 -1.451 -3.418
149 HA LYS 25 HA LYS 25 -6.253 -1.548 -3.571
150 HB2 LYS 25 1HB LYS 25 -7.522 -2.118 -5.507
151 HB3 LYS 25 2HB LYS 25 -8.346 -0.565 -5.508
152 HG2 LYS 25 1HG LYS 25 -6.817 -0.329 -7.218
153 HG3 LYS 25 2HG LYS 25 -5.983 0.423 -5.856
154 HD2 LYS 25 1HD LYS 25 -5.573 -2.485 -6.365
155 HD3 LYS 25 2HD LYS 25 -4.760 -1.316 -7.408
156 HE2 LYS 25 1HE LYS 25 -4.015 -0.209 -5.198
157 HE3 LYS 25 2HE LYS 25 -4.461 -1.745 -4.456
158 HZ1 LYS 25 3HZ LYS 25 -2.769 -1.909 -6.813
159 HZ2 LYS 25 1HZ LYS 25 -2.714 -2.799 -5.375
160 HZ3 LYS 25 2HZ LYS 25 -2.048 -1.246 -5.434
161 H SER 26 H SER 26 -8.427 1.247 -4.006
162 HA SER 26 HA SER 26 -6.573 3.234 -4.351
163 HB2 SER 26 1HB SER 26 -8.249 4.777 -3.335
164 HB3 SER 26 2HB SER 26 -8.951 3.680 -4.524
165 HG SER 26 HG SER 26 -10.303 3.502 -2.848
166 H THR 27 H THR 27 -7.792 1.978 -1.260
167 HA THR 27 HA THR 27 -6.545 3.636 0.523
168 HB THR 27 HB THR 27 -6.887 0.642 0.763
169 HG1 THR 27 HG1 THR 27 -8.699 1.492 2.131
170 HG21 THR 27 3HG2 THR 27 -6.680 0.953 3.162
171 HG22 THR 27 1HG2 THR 27 -6.416 2.682 2.940
172 HG23 THR 27 2HG2 THR 27 -5.219 1.526 2.357
173 H LEU 28 H LEU 28 -5.148 0.722 -0.968
174 HA LEU 28 HA LEU 28 -2.685 0.707 0.273
175 HB2 LEU 28 1HB LEU 28 -3.286 -1.109 -1.121
176 HB3 LEU 28 2HB LEU 28 -3.490 -0.057 -2.520
177 HG LEU 28 HG LEU 28 -1.107 0.248 -2.699
178 HD11 LEU 28 1HD1 LEU 28 0.079 0.198 -0.815
179 HD12 LEU 28 2HD1 LEU 28 0.065 -1.558 -0.976
180 HD13 LEU 28 3HD1 LEU 28 -1.144 -0.755 0.026
181 HD21 LEU 28 3HD2 LEU 28 -0.714 -1.740 -3.694
182 HD22 LEU 28 1HD2 LEU 28 -2.418 -2.014 -3.330
183 HD23 LEU 28 2HD2 LEU 28 -1.172 -2.669 -2.266
184 H ILE 29 H ILE 29 -3.551 2.362 -2.760
185 HA ILE 29 HA ILE 29 -1.145 3.506 -3.404
186 HB ILE 29 HB ILE 29 -3.942 4.561 -3.716
187 HG12 ILE 29 1HG1 ILE 29 -3.280 4.158 -6.166
188 HG13 ILE 29 2HG1 ILE 29 -1.894 3.285 -5.522
189 HG21 ILE 29 1HG2 ILE 29 -2.896 6.594 -3.744
190 HG22 ILE 29 2HG2 ILE 29 -1.361 5.920 -4.289
191 HG23 ILE 29 3HG2 ILE 29 -2.690 6.121 -5.431
192 HD11 ILE 29 3HD1 ILE 29 -3.950 1.937 -6.173
193 HD12 ILE 29 1HD1 ILE 29 -3.235 1.617 -4.593
194 HD13 ILE 29 2HD1 ILE 29 -4.695 2.598 -4.718
195 H MET 30 H MET 30 -3.649 4.964 -1.324
196 HA MET 30 HA MET 30 -2.345 7.297 -0.645
197 HB2 MET 30 1HB MET 30 -3.986 5.695 1.312
198 HB3 MET 30 2HB MET 30 -3.793 7.441 1.242
199 HG2 MET 30 1HG MET 30 -5.364 5.660 -0.584
200 HG3 MET 30 2HG MET 30 -5.929 7.013 0.394
201 HE1 MET 30 3HE MET 30 -6.086 5.892 -2.511
202 HE2 MET 30 1HE MET 30 -6.611 7.413 -3.234
203 HE3 MET 30 2HE MET 30 -5.088 6.678 -3.736
204 H HIS 31 H HIS 31 -1.912 4.063 0.666
205 HA HIS 31 HA HIS 31 -0.228 4.845 2.826
206 HB2 HIS 31 1HB HIS 31 -1.120 2.765 3.227
207 HB3 HIS 31 2HB HIS 31 -1.006 2.272 1.540
208 HD1 HIS 31 HD1 HIS 31 0.919 2.339 4.731
209 HD2 HIS 31 HD2 HIS 31 1.454 1.131 0.792
210 HE1 HIS 31 HE1 HIS 31 3.006 0.935 4.735
211 H GLN 32 H GLN 32 0.444 3.369 -0.346
212 HA GLN 32 HA GLN 32 3.132 3.084 -0.297
213 HB2 GLN 32 1HB GLN 32 1.393 4.136 -2.523
214 HB3 GLN 32 2HB GLN 32 3.099 3.774 -2.749
215 HG2 GLN 32 1HG GLN 32 2.535 1.446 -1.860
216 HG3 GLN 32 2HG GLN 32 0.851 1.893 -2.133
217 HE21 GLN 32 1HE2 GLN 32 0.462 0.452 -3.754
218 HE22 GLN 32 2HE2 GLN 32 1.203 0.544 -5.311
219 H ARG 33 H ARG 33 1.395 6.065 -0.164
220 HA ARG 33 HA ARG 33 3.234 7.905 -1.092
221 HB2 ARG 33 1HB ARG 33 1.267 8.078 1.188
222 HB3 ARG 33 2HB ARG 33 2.216 9.456 0.647
223 HG2 ARG 33 1HG ARG 33 1.159 9.487 -1.458
224 HG3 ARG 33 2HG ARG 33 0.444 7.894 -1.204
225 HD2 ARG 33 1HD ARG 33 -1.346 9.289 -0.789
226 HD3 ARG 33 2HD ARG 33 -0.705 9.029 0.833
227 HE ARG 33 HE ARG 33 -0.092 11.243 0.920
228 HH11 ARG 33 1HH1 ARG 33 -0.979 10.397 -2.338
229 HH12 ARG 33 2HH1 ARG 33 -0.976 12.035 -2.903
230 HH21 ARG 33 1HH2 ARG 33 -0.086 13.403 0.189
231 HH22 ARG 33 2HH2 ARG 33 -0.468 13.744 -1.465
232 H ILE 34 H ILE 34 3.006 6.473 2.149
233 HA ILE 34 HA ILE 34 4.932 7.858 3.503
234 HB ILE 34 HB ILE 34 5.221 5.989 4.940
235 HG12 ILE 34 1HG1 ILE 34 4.083 4.264 2.729
236 HG13 ILE 34 2HG1 ILE 34 5.779 4.334 3.193
237 HG21 ILE 34 1HG2 ILE 34 2.925 7.064 4.744
238 HG22 ILE 34 2HG2 ILE 34 2.442 5.615 3.863
239 HG23 ILE 34 3HG2 ILE 34 3.001 5.488 5.531
240 HD11 ILE 34 3HD1 ILE 34 3.470 3.122 4.632
241 HD12 ILE 34 1HD1 ILE 34 5.058 2.442 4.274
242 HD13 ILE 34 2HD1 ILE 34 4.885 3.662 5.536
243 H HIS 35 H HIS 35 5.409 5.314 1.115
244 HA HIS 35 HA HIS 35 8.227 5.098 1.512
245 HB2 HIS 35 1HB HIS 35 6.469 4.245 -0.796
246 HB3 HIS 35 2HB HIS 35 8.176 3.839 -0.645
247 HD1 HIS 35 HD1 HIS 35 8.604 2.679 1.950
248 HD2 HIS 35 HD2 HIS 35 4.957 2.177 0.023
249 HE1 HIS 35 HE1 HIS 35 7.557 0.654 3.010
250 H THR 36 H THR 36 6.438 6.280 -1.340
251 HA THR 36 HA THR 36 8.628 7.586 -2.503
252 HB THR 36 HB THR 36 6.672 7.045 -3.828
253 HG1 THR 36 HG1 THR 36 6.270 9.391 -4.565
254 HG21 THR 36 3HG2 THR 36 5.179 9.195 -2.332
255 HG22 THR 36 1HG2 THR 36 5.025 7.477 -1.972
256 HG23 THR 36 2HG2 THR 36 4.546 8.093 -3.553
257 H GLY 37 H GLY 37 9.723 9.266 -1.737
258 HA2 GLY 37 1HA GLY 37 9.757 11.640 -1.303
259 HA3 GLY 37 2HA GLY 37 8.208 11.466 -0.490
260 H GLU 38 H GLU 38 11.505 10.121 -0.237
261 HA GLU 38 HA GLU 38 11.218 10.080 2.670
262 HB2 GLU 38 1HB GLU 38 13.250 8.888 0.789
263 HB3 GLU 38 2HB GLU 38 13.468 8.891 2.533
264 HG2 GLU 38 1HG GLU 38 11.170 7.752 2.618
265 HG3 GLU 38 2HG GLU 38 11.421 7.445 0.900
266 H LYS 39 H LYS 39 13.085 10.806 3.989
267 HA LYS 39 HA LYS 39 13.806 13.484 3.257
268 HB2 LYS 39 1HB LYS 39 14.403 11.749 5.647
269 HB3 LYS 39 2HB LYS 39 15.099 13.354 5.465
270 HG2 LYS 39 1HG LYS 39 12.674 14.149 5.172
271 HG3 LYS 39 2HG LYS 39 12.233 12.581 5.852
272 HD2 LYS 39 1HD LYS 39 13.437 13.046 7.870
273 HD3 LYS 39 2HD LYS 39 14.125 14.518 7.180
274 HE2 LYS 39 1HE LYS 39 11.158 14.173 7.410
275 HE3 LYS 39 2HE LYS 39 12.111 14.702 8.796
276 HZ1 LYS 39 3HZ LYS 39 11.326 16.623 7.670
277 HZ2 LYS 39 1HZ LYS 39 11.861 16.056 6.169
278 HZ3 LYS 39 2HZ LYS 39 12.983 16.510 7.350
279 HA PRO 40 HA PRO 40 17.757 12.810 1.462
280 HB2 PRO 40 1HB PRO 40 19.068 15.052 2.254
281 HB3 PRO 40 2HB PRO 40 17.802 15.065 1.020
282 HG2 PRO 40 1HG PRO 40 17.624 15.771 3.923
283 HG3 PRO 40 2HG PRO 40 16.916 16.600 2.525
284 HD2 PRO 40 1HD PRO 40 15.481 14.947 4.118
285 HD3 PRO 40 2HD PRO 40 15.153 15.122 2.382
286 H SER 41 H SER 41 18.306 10.971 2.793
287 HA SER 41 HA SER 41 20.679 11.408 4.330
288 HB2 SER 41 1HB SER 41 19.756 10.237 6.392
289 HB3 SER 41 2HB SER 41 19.211 11.896 6.142
290 HG SER 41 HG SER 41 17.599 10.085 4.909
291 H GLY 42 H GLY 42 21.420 9.232 5.327
292 HA2 GLY 42 1HA GLY 42 21.836 7.382 3.344
293 HA3 GLY 42 2HA GLY 42 21.918 7.001 5.057
294 HA PRO 43 HA PRO 43 17.655 5.715 3.050
295 HB2 PRO 43 1HB PRO 43 18.096 4.437 0.696
296 HB3 PRO 43 2HB PRO 43 17.742 6.166 0.799
297 HG2 PRO 43 1HG PRO 43 20.382 4.788 0.492
298 HG3 PRO 43 2HG PRO 43 19.773 6.235 -0.332
299 HD2 PRO 43 1HD PRO 43 21.490 6.364 1.758
300 HD3 PRO 43 2HD PRO 43 20.265 7.611 1.450
301 H SER 44 H SER 44 20.607 3.869 2.293
302 HA SER 44 HA SER 44 19.559 1.659 3.913
303 HB2 SER 44 1HB SER 44 20.799 1.339 1.169
304 HB3 SER 44 2HB SER 44 20.333 0.020 2.243
305 HG SER 44 HG SER 44 18.174 1.269 2.131
306 H SER 45 H SER 45 21.252 0.107 4.552
307 HA SER 45 HA SER 45 23.839 1.477 4.877
308 HB2 SER 45 1HB SER 45 22.690 1.144 6.999
309 HB3 SER 45 2HB SER 45 22.500 -0.575 6.657
310 HG SER 45 HG SER 45 24.294 -0.096 8.042
311 H GLY 46 H GLY 46 25.762 0.135 4.935
312 HA2 GLY 46 1HA GLY 46 25.447 -2.323 3.323
313 HA3 GLY 46 2HA GLY 46 26.769 -1.189 3.090
Start of MODEL 20
1 H1 GLY 1 H GLY 1 0.528 -29.001 -15.544
2 HA2 GLY 1 1HA GLY 1 -0.247 -27.033 -14.647
3 HA3 GLY 1 2HA GLY 1 -1.217 -26.930 -16.109
4 H SER 2 H SER 2 -1.293 -27.162 -12.771
5 HA SER 2 HA SER 2 -3.853 -28.491 -12.570
6 HB2 SER 2 1HB SER 2 -3.650 -28.139 -10.186
7 HB3 SER 2 2HB SER 2 -2.090 -28.685 -10.803
8 HG SER 2 HG SER 2 -1.256 -26.886 -10.135
9 H SER 3 H SER 3 -5.749 -27.532 -12.820
10 HA SER 3 HA SER 3 -6.160 -24.796 -11.952
11 HB2 SER 3 1HB SER 3 -5.484 -24.238 -14.138
12 HB3 SER 3 2HB SER 3 -6.301 -25.633 -14.842
13 HG SER 3 HG SER 3 -7.874 -23.781 -13.482
14 H GLY 4 H GLY 4 -8.219 -24.429 -11.292
15 HA2 GLY 4 1HA GLY 4 -10.366 -26.197 -12.156
16 HA3 GLY 4 2HA GLY 4 -9.935 -26.284 -10.455
17 H SER 5 H SER 5 -9.927 -24.151 -9.284
18 HA SER 5 HA SER 5 -11.465 -21.991 -10.335
19 HB2 SER 5 1HB SER 5 -13.451 -22.213 -8.975
20 HB3 SER 5 2HB SER 5 -13.254 -23.691 -9.917
21 HG SER 5 HG SER 5 -12.966 -23.268 -7.172
22 H SER 6 H SER 6 -10.563 -20.282 -9.421
23 HA SER 6 HA SER 6 -10.231 -20.125 -6.558
24 HB2 SER 6 1HB SER 6 -8.141 -21.253 -7.283
25 HB3 SER 6 2HB SER 6 -7.796 -19.886 -8.343
26 HG SER 6 HG SER 6 -8.115 -18.673 -6.194
27 H GLY 7 H GLY 7 -11.092 -18.210 -6.118
28 HA2 GLY 7 1HA GLY 7 -10.334 -15.761 -6.362
29 HA3 GLY 7 2HA GLY 7 -10.735 -16.020 -8.053
30 H THR 8 H THR 8 -12.371 -16.970 -5.038
31 HA THR 8 HA THR 8 -14.691 -15.373 -5.891
32 HB THR 8 HB THR 8 -15.112 -17.752 -6.412
33 HG1 THR 8 HG1 THR 8 -16.964 -16.695 -5.929
34 HG21 THR 8 3HG2 THR 8 -15.563 -18.752 -3.785
35 HG22 THR 8 1HG2 THR 8 -13.905 -18.157 -3.873
36 HG23 THR 8 2HG2 THR 8 -14.469 -19.369 -5.023
37 H GLY 9 H GLY 9 -12.753 -14.533 -4.050
38 HA2 GLY 9 1HA GLY 9 -14.409 -14.396 -1.626
39 HA3 GLY 9 2HA GLY 9 -12.716 -14.843 -1.474
40 H GLU 10 H GLU 10 -11.787 -13.153 -0.494
41 HA GLU 10 HA GLU 10 -12.458 -10.444 -1.371
42 HB2 GLU 10 1HB GLU 10 -11.105 -11.586 1.047
43 HB3 GLU 10 2HB GLU 10 -10.850 -9.901 0.618
44 HG2 GLU 10 1HG GLU 10 -13.624 -10.977 0.829
45 HG3 GLU 10 2HG GLU 10 -12.728 -10.552 2.286
46 H ARG 11 H ARG 11 -10.867 -8.945 -2.011
47 HA ARG 11 HA ARG 11 -8.420 -10.197 -3.067
48 HB2 ARG 11 1HB ARG 11 -10.120 -9.213 -4.689
49 HB3 ARG 11 2HB ARG 11 -9.667 -7.637 -4.056
50 HG2 ARG 11 1HG ARG 11 -7.603 -7.679 -5.036
51 HG3 ARG 11 2HG ARG 11 -7.516 -9.441 -5.031
52 HD2 ARG 11 1HD ARG 11 -9.512 -9.242 -6.712
53 HD3 ARG 11 2HD ARG 11 -8.890 -7.609 -6.946
54 HE ARG 11 HE ARG 11 -6.892 -9.670 -7.164
55 HH11 ARG 11 1HH1 ARG 11 -9.306 -7.811 -8.850
56 HH12 ARG 11 2HH1 ARG 11 -8.576 -8.031 -10.406
57 HH21 ARG 11 1HH2 ARG 11 -5.922 -9.967 -9.207
58 HH22 ARG 11 2HH2 ARG 11 -6.652 -9.258 -10.608
59 H HIS 12 H HIS 12 -7.314 -9.873 -1.063
60 HA HIS 12 HA HIS 12 -6.960 -7.212 -0.028
61 HB2 HIS 12 1HB HIS 12 -5.586 -8.213 1.646
62 HB3 HIS 12 2HB HIS 12 -6.927 -9.319 1.367
63 HD1 HIS 12 HD1 HIS 12 -6.382 -11.592 0.270
64 HD2 HIS 12 HD2 HIS 12 -3.064 -9.167 0.886
65 HE1 HIS 12 HE1 HIS 12 -4.386 -13.081 -0.078
66 H TYR 13 H TYR 13 -5.753 -5.777 -1.073
67 HA TYR 13 HA TYR 13 -3.584 -6.625 -2.797
68 HB2 TYR 13 1HB TYR 13 -4.662 -3.872 -2.155
69 HB3 TYR 13 2HB TYR 13 -3.409 -4.208 -3.345
70 HD1 TYR 13 HD2 TYR 13 -6.887 -5.295 -2.501
71 HD2 TYR 13 HD1 TYR 13 -4.052 -4.416 -5.550
72 HE1 TYR 13 HE2 TYR 13 -8.618 -5.666 -4.209
73 HE2 TYR 13 HE1 TYR 13 -5.776 -4.783 -7.266
74 HH TYR 13 HH TYR 13 -8.996 -4.843 -6.653
75 H GLU 14 H GLU 14 -1.531 -6.761 -2.197
76 HA GLU 14 HA GLU 14 -0.735 -5.611 0.377
77 HB2 GLU 14 1HB GLU 14 -0.372 -8.105 -0.447
78 HB3 GLU 14 2HB GLU 14 1.059 -7.406 -1.191
79 HG2 GLU 14 1HG GLU 14 2.047 -6.929 0.822
80 HG3 GLU 14 2HG GLU 14 0.510 -6.860 1.683
81 H CYS 15 H CYS 15 1.359 -4.575 0.574
82 HA CYS 15 HA CYS 15 1.884 -2.845 -1.709
83 HB2 CYS 15 1HB CYS 15 1.600 -1.806 0.490
84 HB3 CYS 15 2HB CYS 15 2.939 -2.756 1.125
85 H SER 16 H SER 16 3.337 -3.471 -3.153
86 HA SER 16 HA SER 16 5.221 -5.521 -2.750
87 HB2 SER 16 1HB SER 16 4.278 -4.685 -4.967
88 HB3 SER 16 2HB SER 16 5.446 -3.368 -4.855
89 HG SER 16 HG SER 16 7.064 -5.086 -4.634
90 H GLU 17 H GLU 17 5.225 -2.406 -1.588
91 HA GLU 17 HA GLU 17 8.094 -1.992 -1.721
92 HB2 GLU 17 1HB GLU 17 6.149 -0.205 -1.761
93 HB3 GLU 17 2HB GLU 17 6.299 -0.324 -0.014
94 HG2 GLU 17 1HG GLU 17 7.618 1.507 -1.136
95 HG3 GLU 17 2HG GLU 17 8.512 0.455 -0.040
96 H CYS 18 H CYS 18 5.693 -2.217 0.911
97 HA CYS 18 HA CYS 18 7.844 -3.144 2.688
98 HB2 CYS 18 1HB CYS 18 6.367 -2.496 4.541
99 HB3 CYS 18 2HB CYS 18 6.661 -1.141 3.456
100 H GLY 19 H GLY 19 4.458 -3.800 1.815
101 HA2 GLY 19 1HA GLY 19 3.969 -6.182 1.307
102 HA3 GLY 19 2HA GLY 19 4.872 -6.569 2.764
103 H LYS 20 H LYS 20 2.803 -3.795 2.749
104 HA LYS 20 HA LYS 20 1.173 -4.982 4.824
105 HB2 LYS 20 1HB LYS 20 2.072 -2.520 4.623
106 HB3 LYS 20 2HB LYS 20 0.628 -2.284 3.647
107 HG2 LYS 20 1HG LYS 20 -0.781 -2.941 5.482
108 HG3 LYS 20 2HG LYS 20 0.629 -3.354 6.461
109 HD2 LYS 20 1HD LYS 20 1.257 -1.112 6.708
110 HD3 LYS 20 2HD LYS 20 0.251 -0.589 5.355
111 HE2 LYS 20 1HE LYS 20 -1.750 -0.966 6.618
112 HE3 LYS 20 2HE LYS 20 -0.841 -1.721 7.926
113 HZ1 LYS 20 3HZ LYS 20 -0.725 0.277 8.847
114 HZ2 LYS 20 1HZ LYS 20 -1.389 1.027 7.484
115 HZ3 LYS 20 2HZ LYS 20 0.280 0.771 7.579
116 H ALA 21 H ALA 21 -0.801 -5.821 4.586
117 HA ALA 21 HA ALA 21 -1.978 -5.862 1.921
118 HB1 ALA 21 3HB ALA 21 -3.542 -7.310 3.811
119 HB2 ALA 21 1HB ALA 21 -2.571 -7.925 2.472
120 HB3 ALA 21 2HB ALA 21 -1.841 -7.700 4.062
121 H PHE 22 H PHE 22 -3.974 -5.054 1.399
122 HA PHE 22 HA PHE 22 -5.398 -3.551 3.490
123 HB2 PHE 22 1HB PHE 22 -4.795 -2.625 0.674
124 HB3 PHE 22 2HB PHE 22 -5.889 -1.801 1.780
125 HD1 PHE 22 HD1 PHE 22 -5.023 -0.676 3.776
126 HD2 PHE 22 HD2 PHE 22 -2.428 -2.457 0.911
127 HE1 PHE 22 HE1 PHE 22 -3.130 0.590 4.709
128 HE2 PHE 22 HE2 PHE 22 -0.531 -1.195 1.839
129 HZ PHE 22 HZ PHE 22 -0.880 0.330 3.741
130 H ALA 23 H ALA 23 -7.653 -2.913 2.698
131 HA ALA 23 HA ALA 23 -8.925 -5.322 1.692
132 HB1 ALA 23 3HB ALA 23 -9.642 -3.722 3.689
133 HB2 ALA 23 1HB ALA 23 -10.529 -2.928 2.388
134 HB3 ALA 23 2HB ALA 23 -10.819 -4.631 2.742
135 H ARG 24 H ARG 24 -8.744 -1.877 0.848
136 HA ARG 24 HA ARG 24 -9.966 -2.500 -1.752
137 HB2 ARG 24 1HB ARG 24 -9.505 0.246 -0.594
138 HB3 ARG 24 2HB ARG 24 -10.551 -0.196 -1.936
139 HG2 ARG 24 1HG ARG 24 -12.131 0.008 -0.333
140 HG3 ARG 24 2HG ARG 24 -11.689 -1.676 -0.041
141 HD2 ARG 24 1HD ARG 24 -9.894 -0.545 1.542
142 HD3 ARG 24 2HD ARG 24 -11.080 0.760 1.551
143 HE ARG 24 HE ARG 24 -12.390 -1.670 2.062
144 HH11 ARG 24 1HH1 ARG 24 -10.140 0.529 3.554
145 HH12 ARG 24 2HH1 ARG 24 -10.615 0.124 5.170
146 HH21 ARG 24 1HH2 ARG 24 -13.024 -2.211 4.185
147 HH22 ARG 24 2HH2 ARG 24 -12.255 -1.435 5.528
148 H LYS 25 H LYS 25 -9.089 -1.307 -3.637
149 HA LYS 25 HA LYS 25 -6.266 -1.702 -3.816
150 HB2 LYS 25 1HB LYS 25 -7.553 -2.184 -5.760
151 HB3 LYS 25 2HB LYS 25 -8.320 -0.602 -5.730
152 HG2 LYS 25 1HG LYS 25 -6.792 -0.372 -7.435
153 HG3 LYS 25 2HG LYS 25 -5.910 0.294 -6.059
154 HD2 LYS 25 1HD LYS 25 -5.640 -2.613 -6.625
155 HD3 LYS 25 2HD LYS 25 -4.814 -1.477 -7.694
156 HE2 LYS 25 1HE LYS 25 -3.986 -0.415 -5.463
157 HE3 LYS 25 2HE LYS 25 -4.405 -1.982 -4.775
158 HZ1 LYS 25 3HZ LYS 25 -2.040 -1.674 -5.583
159 HZ2 LYS 25 1HZ LYS 25 -2.665 -1.739 -7.154
160 HZ3 LYS 25 2HZ LYS 25 -2.846 -3.063 -6.117
161 H SER 26 H SER 26 -8.363 1.167 -3.954
162 HA SER 26 HA SER 26 -6.357 3.075 -4.316
163 HB2 SER 26 1HB SER 26 -8.416 4.031 -4.627
164 HB3 SER 26 2HB SER 26 -9.159 3.112 -3.319
165 HG SER 26 HG SER 26 -8.944 5.339 -2.811
166 H THR 27 H THR 27 -7.965 2.134 -1.274
167 HA THR 27 HA THR 27 -6.724 3.602 0.584
168 HB THR 27 HB THR 27 -7.218 0.626 0.710
169 HG1 THR 27 HG1 THR 27 -9.024 1.384 1.974
170 HG21 THR 27 3HG2 THR 27 -5.990 0.600 2.579
171 HG22 THR 27 1HG2 THR 27 -7.244 1.605 3.304
172 HG23 THR 27 2HG2 THR 27 -5.821 2.355 2.580
173 H LEU 28 H LEU 28 -5.243 0.901 -1.137
174 HA LEU 28 HA LEU 28 -2.843 0.823 0.352
175 HB2 LEU 28 1HB LEU 28 -3.242 -1.079 -0.904
176 HB3 LEU 28 2HB LEU 28 -3.690 -0.159 -2.339
177 HG LEU 28 HG LEU 28 -1.341 0.404 -2.716
178 HD11 LEU 28 1HD1 LEU 28 -1.062 -0.761 -0.039
179 HD12 LEU 28 2HD1 LEU 28 -0.078 0.448 -0.863
180 HD13 LEU 28 3HD1 LEU 28 0.166 -1.266 -1.201
181 HD21 LEU 28 3HD2 LEU 28 -0.854 -1.562 -3.743
182 HD22 LEU 28 1HD2 LEU 28 -2.538 -1.892 -3.335
183 HD23 LEU 28 2HD2 LEU 28 -1.245 -2.532 -2.322
184 H ILE 29 H ILE 29 -3.716 2.457 -2.674
185 HA ILE 29 HA ILE 29 -1.281 3.516 -3.395
186 HB ILE 29 HB ILE 29 -4.083 4.504 -3.722
187 HG12 ILE 29 1HG1 ILE 29 -3.102 4.383 -6.184
188 HG13 ILE 29 2HG1 ILE 29 -1.923 3.327 -5.415
189 HG21 ILE 29 1HG2 ILE 29 -3.007 6.576 -3.442
190 HG22 ILE 29 2HG2 ILE 29 -1.581 6.049 -4.334
191 HG23 ILE 29 3HG2 ILE 29 -3.098 6.335 -5.187
192 HD11 ILE 29 3HD1 ILE 29 -4.885 2.951 -5.658
193 HD12 ILE 29 1HD1 ILE 29 -3.587 1.909 -6.241
194 HD13 ILE 29 2HD1 ILE 29 -3.910 2.032 -4.511
195 H MET 30 H MET 30 -3.679 4.962 -1.196
196 HA MET 30 HA MET 30 -2.309 7.304 -0.596
197 HB2 MET 30 1HB MET 30 -3.942 5.791 1.432
198 HB3 MET 30 2HB MET 30 -3.744 7.531 1.274
199 HG2 MET 30 1HG MET 30 -5.318 5.683 -0.492
200 HG3 MET 30 2HG MET 30 -5.916 7.002 0.512
201 HE1 MET 30 3HE MET 30 -6.348 6.054 -2.314
202 HE2 MET 30 1HE MET 30 -6.786 7.616 -3.007
203 HE3 MET 30 2HE MET 30 -5.369 6.754 -3.604
204 H HIS 31 H HIS 31 -2.089 4.110 0.918
205 HA HIS 31 HA HIS 31 -0.324 4.836 2.990
206 HB2 HIS 31 1HB HIS 31 -1.237 2.776 3.409
207 HB3 HIS 31 2HB HIS 31 -1.185 2.288 1.718
208 HD1 HIS 31 HD1 HIS 31 0.710 2.109 4.883
209 HD2 HIS 31 HD2 HIS 31 1.336 1.249 0.867
210 HE1 HIS 31 HE1 HIS 31 2.783 0.687 4.815
211 H GLN 32 H GLN 32 0.249 3.612 -0.284
212 HA GLN 32 HA GLN 32 2.956 3.169 -0.220
213 HB2 GLN 32 1HB GLN 32 1.328 4.398 -2.450
214 HB3 GLN 32 2HB GLN 32 2.960 3.773 -2.638
215 HG2 GLN 32 1HG GLN 32 2.187 1.548 -2.006
216 HG3 GLN 32 2HG GLN 32 0.550 2.173 -1.807
217 HE21 GLN 32 1HE2 GLN 32 0.571 0.194 -3.422
218 HE22 GLN 32 2HE2 GLN 32 0.537 0.653 -5.087
219 H ARG 33 H ARG 33 1.302 6.160 0.091
220 HA ARG 33 HA ARG 33 3.150 8.000 -0.846
221 HB2 ARG 33 1HB ARG 33 1.294 8.171 1.532
222 HB3 ARG 33 2HB ARG 33 2.192 9.541 0.891
223 HG2 ARG 33 1HG ARG 33 0.983 9.519 -1.130
224 HG3 ARG 33 2HG ARG 33 0.305 7.925 -0.793
225 HD2 ARG 33 1HD ARG 33 -1.438 9.430 -0.344
226 HD3 ARG 33 2HD ARG 33 -0.789 9.001 1.239
227 HE ARG 33 HE ARG 33 0.460 11.339 0.226
228 HH11 ARG 33 1HH1 ARG 33 -2.485 10.189 1.684
229 HH12 ARG 33 2HH1 ARG 33 -2.884 11.718 2.395
230 HH21 ARG 33 1HH2 ARG 33 -0.054 13.357 1.156
231 HH22 ARG 33 2HH2 ARG 33 -1.501 13.520 2.093
232 H ILE 34 H ILE 34 3.305 5.941 1.920
233 HA ILE 34 HA ILE 34 5.218 7.414 3.418
234 HB ILE 34 HB ILE 34 5.541 5.410 4.719
235 HG12 ILE 34 1HG1 ILE 34 4.072 4.030 2.466
236 HG13 ILE 34 2HG1 ILE 34 5.729 3.745 2.989
237 HG21 ILE 34 1HG2 ILE 34 3.443 5.299 5.641
238 HG22 ILE 34 2HG2 ILE 34 3.302 6.772 4.684
239 HG23 ILE 34 3HG2 ILE 34 2.637 5.258 4.074
240 HD11 ILE 34 3HD1 ILE 34 4.316 1.961 3.750
241 HD12 ILE 34 1HD1 ILE 34 4.867 2.901 5.137
242 HD13 ILE 34 2HD1 ILE 34 3.225 3.108 4.527
243 H HIS 35 H HIS 35 5.426 5.382 0.647
244 HA HIS 35 HA HIS 35 8.344 5.176 0.935
245 HB2 HIS 35 1HB HIS 35 6.643 3.739 -1.101
246 HB3 HIS 35 2HB HIS 35 8.293 3.365 -0.610
247 HD1 HIS 35 HD1 HIS 35 8.447 2.642 2.067
248 HD2 HIS 35 HD2 HIS 35 4.799 2.196 0.128
249 HE1 HIS 35 HE1 HIS 35 7.136 1.015 3.467
250 H THR 36 H THR 36 5.827 6.680 -0.864
251 HA THR 36 HA THR 36 7.207 7.253 -3.254
252 HB THR 36 HB THR 36 5.529 8.941 -3.672
253 HG1 THR 36 HG1 THR 36 5.138 8.750 -0.880
254 HG21 THR 36 3HG2 THR 36 4.763 6.304 -2.591
255 HG22 THR 36 1HG2 THR 36 4.414 7.032 -4.159
256 HG23 THR 36 2HG2 THR 36 3.455 7.477 -2.747
257 H GLY 37 H GLY 37 9.023 8.382 -3.448
258 HA2 GLY 37 1HA GLY 37 9.339 10.801 -1.785
259 HA3 GLY 37 2HA GLY 37 10.669 9.676 -2.016
260 H GLU 38 H GLU 38 11.930 11.379 -2.895
261 HA GLU 38 HA GLU 38 11.087 12.813 -5.217
262 HB2 GLU 38 1HB GLU 38 13.245 13.795 -5.215
263 HB3 GLU 38 2HB GLU 38 12.802 13.590 -3.526
264 HG2 GLU 38 1HG GLU 38 14.383 11.457 -4.869
265 HG3 GLU 38 2HG GLU 38 15.187 12.949 -4.385
266 H LYS 39 H LYS 39 12.164 12.711 -7.313
267 HA LYS 39 HA LYS 39 13.244 10.062 -7.979
268 HB2 LYS 39 1HB LYS 39 11.004 11.506 -9.398
269 HB3 LYS 39 2HB LYS 39 11.894 10.169 -10.115
270 HG2 LYS 39 1HG LYS 39 10.573 9.853 -7.452
271 HG3 LYS 39 2HG LYS 39 9.643 9.705 -8.945
272 HD2 LYS 39 1HD LYS 39 11.162 7.948 -9.716
273 HD3 LYS 39 2HD LYS 39 12.099 8.102 -8.229
274 HE2 LYS 39 1HE LYS 39 10.637 6.223 -7.998
275 HE3 LYS 39 2HE LYS 39 10.041 7.512 -6.954
276 HZ1 LYS 39 3HZ LYS 39 8.962 6.768 -9.618
277 HZ2 LYS 39 1HZ LYS 39 8.427 8.080 -8.693
278 HZ3 LYS 39 2HZ LYS 39 8.219 6.501 -8.122
279 HA PRO 40 HA PRO 40 16.296 12.264 -10.243
280 HB2 PRO 40 1HB PRO 40 16.890 10.455 -12.179
281 HB3 PRO 40 2HB PRO 40 17.379 10.253 -10.492
282 HG2 PRO 40 1HG PRO 40 15.065 9.038 -11.952
283 HG3 PRO 40 2HG PRO 40 16.188 8.280 -10.808
284 HD2 PRO 40 1HD PRO 40 13.706 9.091 -10.092
285 HD3 PRO 40 2HD PRO 40 15.081 9.121 -8.970
286 H SER 41 H SER 41 16.834 13.108 -12.404
287 HA SER 41 HA SER 41 14.519 13.251 -14.212
288 HB2 SER 41 1HB SER 41 16.016 15.499 -12.924
289 HB3 SER 41 2HB SER 41 15.380 15.725 -14.553
290 HG SER 41 HG SER 41 14.061 15.603 -12.154
291 H GLY 42 H GLY 42 15.121 12.453 -16.108
292 HA2 GLY 42 1HA GLY 42 17.313 13.506 -17.573
293 HA3 GLY 42 2HA GLY 42 17.720 11.923 -16.927
294 HA PRO 43 HA PRO 43 15.795 11.181 -21.033
295 HB2 PRO 43 1HB PRO 43 17.444 9.120 -21.670
296 HB3 PRO 43 2HB PRO 43 17.870 10.813 -21.950
297 HG2 PRO 43 1HG PRO 43 18.682 9.000 -19.710
298 HG3 PRO 43 2HG PRO 43 19.666 10.156 -20.627
299 HD2 PRO 43 1HD PRO 43 18.685 10.710 -18.165
300 HD3 PRO 43 2HD PRO 43 18.912 11.959 -19.405
301 H SER 44 H SER 44 14.449 9.493 -21.692
302 HA SER 44 HA SER 44 13.832 7.538 -19.587
303 HB2 SER 44 1HB SER 44 12.005 9.084 -20.236
304 HB3 SER 44 2HB SER 44 12.092 8.467 -21.885
305 HG SER 44 HG SER 44 10.908 6.854 -21.277
306 H SER 45 H SER 45 16.007 6.916 -21.125
307 HA SER 45 HA SER 45 16.903 5.398 -22.584
308 HB2 SER 45 1HB SER 45 14.610 3.935 -21.296
309 HB3 SER 45 2HB SER 45 15.657 3.129 -22.464
310 HG SER 45 HG SER 45 16.896 4.544 -20.412
311 H GLY 46 H GLY 46 15.387 7.256 -23.947
312 HA2 GLY 46 1HA GLY 46 13.339 6.671 -25.557
313 HA3 GLY 46 2HA GLY 46 14.774 7.469 -26.183