Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
8474 | 1m9o RC | 5525 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H MET 4 HT1 MET 4 66.234 -23.888 -7.660
2 HA MET 4 HA MET 4 67.334 -22.018 -9.566
3 1HB MET 4 HB2 MET 4 65.417 -24.033 -9.483
4 2HB MET 4 HB1 MET 4 64.470 -22.552 -9.519
5 1HG MET 4 HG2 MET 4 65.226 -21.954 -11.601
6 2HG MET 4 HG1 MET 4 66.710 -22.893 -11.449
7 1HE MET 4 HE1 MET 4 62.744 -25.145 -11.615
8 2HE MET 4 HE2 MET 4 62.644 -23.434 -12.038
9 3HE MET 4 HE3 MET 4 63.247 -23.918 -10.453
10 H THR 5 HN THR 5 64.576 -22.068 -7.290
11 HA THR 5 HA THR 5 63.446 -20.394 -6.237
12 HB THR 5 HB THR 5 65.765 -18.540 -6.367
13 HG1 THR 5 HG1 THR 5 65.850 -21.076 -5.113
14 1HG2 THR 5 1HG2 THR 5 65.069 -19.239 -3.730
15 2HG2 THR 5 2HG2 THR 5 63.568 -19.004 -4.624
16 3HG2 THR 5 3HG2 THR 5 64.776 -17.720 -4.575
17 H THR 6 HN THR 6 63.450 -17.659 -6.402
18 HA THR 6 HA THR 6 61.997 -17.148 -8.716
19 HB THR 6 HB THR 6 62.282 -14.738 -8.135
20 HG1 THR 6 HG1 THR 6 64.150 -15.830 -6.329
21 1HG2 THR 6 1HG2 THR 6 61.235 -16.762 -6.341
22 2HG2 THR 6 2HG2 THR 6 60.552 -15.212 -6.830
23 3HG2 THR 6 3HG2 THR 6 61.716 -15.284 -5.508
24 H SER 7 HN SER 7 62.446 -16.161 -10.664
25 HA SER 7 HA SER 7 65.291 -16.128 -11.407
26 1HB SER 7 HB2 SER 7 63.040 -17.270 -12.652
27 2HB SER 7 HB1 SER 7 63.491 -15.895 -13.659
28 HG SER 7 HG SER 7 65.732 -16.859 -13.358
29 H SER 8 HN SER 8 64.515 -13.951 -9.985
30 HA SER 8 HA SER 8 65.226 -11.811 -11.640
31 1HB SER 8 HB2 SER 8 62.674 -12.359 -12.192
32 2HB SER 8 HB1 SER 8 62.414 -11.361 -10.760
33 HG SER 8 HG SER 8 63.869 -10.626 -13.084
34 H ARG 9 HN ARG 9 62.841 -11.987 -8.995
35 HA ARG 9 HA ARG 9 62.855 -11.166 -6.872
36 1HB ARG 9 HB2 ARG 9 64.798 -12.704 -6.666
37 2HB ARG 9 HB1 ARG 9 65.862 -11.388 -7.137
38 1HG ARG 9 HG2 ARG 9 66.074 -10.919 -4.983
39 2HG ARG 9 HG1 ARG 9 64.403 -10.363 -5.009
40 1HD ARG 9 HD2 ARG 9 64.734 -11.967 -3.219
41 2HD ARG 9 HD1 ARG 9 63.649 -12.624 -4.441
42 HE ARG 9 HE ARG 9 65.303 -14.143 -5.078
43 1HH1 ARG 9 1HH1 ARG 9 66.435 -12.036 -2.527
44 2HH1 ARG 9 2HH1 ARG 9 67.787 -13.040 -2.134
45 1HH2 ARG 9 1HH2 ARG 9 67.084 -15.451 -4.564
46 2HH2 ARG 9 2HH2 ARG 9 68.157 -14.976 -3.289
47 H TYR 10 HN TYR 10 63.100 -9.275 -5.676
48 HA TYR 10 HA TYR 10 63.210 -6.915 -7.183
49 1HB TYR 10 HB2 TYR 10 62.834 -7.698 -4.364
50 2HB TYR 10 HB1 TYR 10 63.369 -6.049 -4.635
51 HD1 TYR 10 HD1 TYR 10 61.608 -4.535 -4.582
52 HD2 TYR 10 HD2 TYR 10 61.020 -8.376 -6.315
53 HE1 TYR 10 HE1 TYR 10 59.315 -3.898 -5.186
54 HE2 TYR 10 HE2 TYR 10 58.713 -7.753 -6.921
55 HH TYR 10 HH TYR 10 56.991 -6.162 -6.218
56 H LYS 11 HN LYS 11 64.595 -5.147 -5.551
57 HA LYS 11 HA LYS 11 67.149 -5.309 -6.670
58 1HB LYS 11 HB2 LYS 11 66.451 -3.518 -4.374
59 2HB LYS 11 HB1 LYS 11 67.538 -3.206 -5.717
60 1HG LYS 11 HG2 LYS 11 65.130 -3.628 -6.972
61 2HG LYS 11 HG1 LYS 11 64.668 -2.770 -5.492
62 1HD LYS 11 HD2 LYS 11 65.077 -1.037 -6.975
63 2HD LYS 11 HD1 LYS 11 66.614 -1.171 -6.115
64 1HE LYS 11 HE2 LYS 11 66.348 -2.862 -8.504
65 2HE LYS 11 HE1 LYS 11 66.364 -1.125 -8.808
66 1HZ LYS 11 HZ1 LYS 11 68.383 -1.878 -6.943
67 2HZ LYS 11 HZ2 LYS 11 68.534 -1.041 -8.404
68 3HZ LYS 11 HZ3 LYS 11 68.548 -2.732 -8.394
69 H THR 12 HN THR 12 68.852 -4.420 -4.736
70 HA THR 12 HA THR 12 69.100 -6.758 -2.961
71 HB THR 12 HB THR 12 70.757 -6.925 -4.636
72 HG1 THR 12 HG1 THR 12 71.528 -7.301 -2.542
73 1HG2 THR 12 1HG2 THR 12 70.732 -4.620 -5.460
74 2HG2 THR 12 2HG2 THR 12 72.367 -5.209 -5.163
75 3HG2 THR 12 3HG2 THR 12 71.603 -4.109 -4.016
76 H GLU 13 HN GLU 13 68.465 -3.543 -2.876
77 HA GLU 13 HA GLU 13 70.191 -2.797 -0.759
78 1HB GLU 13 HB2 GLU 13 68.225 -1.511 -2.485
79 2HB GLU 13 HB1 GLU 13 68.274 -0.878 -0.857
80 1HG GLU 13 HG2 GLU 13 70.191 0.192 -1.202
81 2HG GLU 13 HG1 GLU 13 70.915 -1.208 -1.983
82 H LEU 14 HN LEU 14 68.762 -1.404 1.056
83 HA LEU 14 HA LEU 14 66.520 -2.880 2.063
84 1HB LEU 14 HB2 LEU 14 67.758 -3.251 4.314
85 2HB LEU 14 HB1 LEU 14 67.903 -4.428 3.026
86 HG LEU 14 HG LEU 14 69.987 -3.658 4.421
87 1HD1 LEU 14 1HD1 LEU 14 70.114 -3.971 1.436
88 2HD1 LEU 14 2HD1 LEU 14 69.994 -5.281 2.608
89 3HD1 LEU 14 3HD1 LEU 14 71.423 -4.251 2.580
90 1HD2 LEU 14 1HD2 LEU 14 70.112 -1.636 2.211
91 2HD2 LEU 14 2HD2 LEU 14 71.215 -1.848 3.562
92 3HD2 LEU 14 3HD2 LEU 14 69.585 -1.248 3.841
93 H CYS 15 HN CYS 15 65.434 -1.843 3.749
94 HA CYS 15 HA CYS 15 65.855 0.944 3.904
95 1HB CYS 15 HB2 CYS 15 63.595 -0.209 3.967
96 2HB CYS 15 HB1 CYS 15 63.980 -0.727 5.605
97 H ARG 16 HN ARG 16 67.978 1.153 4.818
98 HA ARG 16 HA ARG 16 68.598 -0.047 7.324
99 1HB ARG 16 HB2 ARG 16 69.995 1.638 5.303
100 2HB ARG 16 HB1 ARG 16 70.572 1.746 6.961
101 1HG ARG 16 HG2 ARG 16 70.779 -0.724 7.012
102 2HG ARG 16 HG1 ARG 16 70.376 -0.735 5.299
103 1HD ARG 16 HD2 ARG 16 72.588 -0.589 4.987
104 2HD ARG 16 HD1 ARG 16 72.366 1.114 5.373
105 HE ARG 16 HE ARG 16 73.010 0.587 7.657
106 1HH1 ARG 16 1HH1 ARG 16 73.750 -1.824 5.232
107 2HH1 ARG 16 2HH1 ARG 16 75.008 -2.549 6.168
108 1HH2 ARG 16 1HH2 ARG 16 74.656 -0.381 8.882
109 2HH2 ARG 16 2HH2 ARG 16 75.522 -1.734 8.237
110 H THR 17 HN THR 17 69.584 3.243 7.004
111 HA THR 17 HA THR 17 68.530 3.930 9.539
112 HB THR 17 HB THR 17 70.645 4.867 8.723
113 HG1 THR 17 HG1 THR 17 68.764 6.966 8.962
114 1HG2 THR 17 1HG2 THR 17 70.523 6.770 7.085
115 2HG2 THR 17 2HG2 THR 17 68.925 6.173 6.641
116 3HG2 THR 17 3HG2 THR 17 70.344 5.152 6.407
117 H TYR 18 HN TYR 18 67.435 4.082 6.351
118 HA TYR 18 HA TYR 18 65.730 6.208 6.171
119 1HB TYR 18 HB2 TYR 18 65.715 3.410 5.093
120 2HB TYR 18 HB1 TYR 18 64.517 4.588 4.606
121 HD1 TYR 18 HD1 TYR 18 65.020 4.954 2.369
122 HD2 TYR 18 HD2 TYR 18 68.160 5.147 5.206
123 HE1 TYR 18 HE1 TYR 18 66.499 5.893 0.660
124 HE2 TYR 18 HE2 TYR 18 69.666 6.038 3.499
125 HH TYR 18 HH TYR 18 69.577 5.835 0.667
126 H SER 19 HN SER 19 65.040 2.929 7.361
127 HA SER 19 HA SER 19 62.357 3.075 7.820
128 1HB SER 19 HB2 SER 19 63.773 1.662 9.955
129 2HB SER 19 HB1 SER 19 62.627 1.051 8.764
130 HG SER 19 HG SER 19 65.039 0.439 8.728
131 H GLU 20 HN GLU 20 64.677 4.951 9.392
132 HA GLU 20 HA GLU 20 63.014 5.375 11.748
133 1HB GLU 20 HB2 GLU 20 65.797 5.349 11.332
134 2HB GLU 20 HB1 GLU 20 65.373 7.021 11.691
135 1HG GLU 20 HG2 GLU 20 63.917 5.717 13.542
136 2HG GLU 20 HG1 GLU 20 65.317 4.646 13.399
137 H SER 21 HN SER 21 62.170 6.201 9.184
138 HA SER 21 HA SER 21 61.010 7.935 8.260
139 1HB SER 21 HB2 SER 21 61.146 8.590 11.000
140 2HB SER 21 HB1 SER 21 61.540 10.067 10.124
141 HG SER 21 HG SER 21 59.339 9.996 10.297
142 H GLY 22 HN GLY 22 64.116 7.641 8.225
143 1HA GLY 22 HA2 GLY 22 65.234 10.156 7.834
144 2HA GLY 22 HA1 GLY 22 65.867 8.664 7.167
145 H ARG 23 HN ARG 23 65.214 8.023 5.129
146 HA ARG 23 HA ARG 23 64.137 10.176 3.452
147 1HB ARG 23 HB2 ARG 23 66.537 9.524 3.121
148 2HB ARG 23 HB1 ARG 23 65.950 7.966 2.591
149 1HG ARG 23 HG2 ARG 23 64.657 10.109 1.165
150 2HG ARG 23 HG1 ARG 23 66.413 10.183 1.014
151 1HD ARG 23 HD2 ARG 23 66.541 8.084 -0.001
152 2HD ARG 23 HD1 ARG 23 64.959 7.587 0.595
153 HE ARG 23 HE ARG 23 63.979 8.647 -1.189
154 1HH1 ARG 23 1HH1 ARG 23 67.326 9.603 -0.980
155 2HH1 ARG 23 2HH1 ARG 23 67.329 10.382 -2.527
156 1HH2 ARG 23 1HH2 ARG 23 63.976 9.664 -3.217
157 2HH2 ARG 23 2HH2 ARG 23 65.424 10.414 -3.801
158 H CYS 24 HN CYS 24 64.624 6.753 3.219
159 HA CYS 24 HA CYS 24 63.360 5.020 2.499
160 1HB CYS 24 HB2 CYS 24 61.295 6.888 3.482
161 2HB CYS 24 HB1 CYS 24 60.749 5.588 2.433
162 H ARG 25 HN ARG 25 64.336 5.267 0.473
163 HA ARG 25 HA ARG 25 63.599 6.985 -1.555
164 1HB ARG 25 HB2 ARG 25 65.654 5.703 -1.561
165 2HB ARG 25 HB1 ARG 25 64.753 4.219 -1.730
166 1HG ARG 25 HG2 ARG 25 65.391 4.519 -3.891
167 2HG ARG 25 HG1 ARG 25 63.870 5.418 -3.922
168 1HD ARG 25 HD2 ARG 25 65.002 7.497 -3.698
169 2HD ARG 25 HD1 ARG 25 66.521 6.701 -3.303
170 HE ARG 25 HE ARG 25 66.807 6.150 -5.567
171 1HH1 ARG 25 1HH1 ARG 25 63.867 7.966 -5.034
172 2HH1 ARG 25 2HH1 ARG 25 63.700 8.415 -6.696
173 1HH2 ARG 25 1HH2 ARG 25 66.580 6.742 -7.752
174 2HH2 ARG 25 2HH2 ARG 25 65.234 7.717 -8.239
175 H TYR 26 HN TYR 26 61.784 4.439 -0.333
176 HA TYR 26 HA TYR 26 59.811 4.709 -2.477
177 1HB TYR 26 HB2 TYR 26 60.766 2.096 -1.290
178 2HB TYR 26 HB1 TYR 26 59.324 2.251 -2.286
179 HD1 TYR 26 HD1 TYR 26 60.565 4.195 -4.321
180 HD2 TYR 26 HD2 TYR 26 61.934 0.545 -2.611
181 HE1 TYR 26 HE1 TYR 26 61.922 3.770 -6.328
182 HE2 TYR 26 HE2 TYR 26 63.300 0.119 -4.607
183 HH TYR 26 HH TYR 26 64.379 1.600 -6.456
184 H GLY 27 HN GLY 27 59.651 6.128 -0.233
185 1HA GLY 27 HA2 GLY 27 58.745 5.260 2.138
186 2HA GLY 27 HA1 GLY 27 58.015 6.635 1.335
187 H ALA 28 HN ALA 28 57.371 3.804 2.808
188 HA ALA 28 HA ALA 28 55.429 2.664 3.145
189 1HB ALA 28 HB1 ALA 28 53.593 3.862 2.830
190 2HB ALA 28 HB2 ALA 28 53.717 3.662 1.082
191 3HB ALA 28 HB3 ALA 28 54.539 5.003 1.877
192 H LYS 29 HN LYS 29 57.004 2.838 0.172
193 HA LYS 29 HA LYS 29 55.880 0.307 -0.671
194 1HB LYS 29 HB2 LYS 29 55.601 2.623 -2.015
195 2HB LYS 29 HB1 LYS 29 57.121 2.054 -2.690
196 1HG LYS 29 HG2 LYS 29 56.062 0.645 -3.989
197 2HG LYS 29 HG1 LYS 29 55.285 -0.101 -2.592
198 1HD LYS 29 HD2 LYS 29 54.263 2.471 -3.738
199 2HD LYS 29 HD1 LYS 29 53.778 0.918 -4.419
200 1HE LYS 29 HE2 LYS 29 53.050 0.238 -2.124
201 2HE LYS 29 HE1 LYS 29 53.367 1.888 -1.595
202 1HZ LYS 29 HZ1 LYS 29 51.788 2.196 -3.794
203 2HZ LYS 29 HZ2 LYS 29 51.275 2.293 -2.185
204 3HZ LYS 29 HZ3 LYS 29 51.126 0.837 -3.033
205 H CYS 30 HN CYS 30 58.401 1.252 0.917
206 HA CYS 30 HA CYS 30 60.516 0.478 -0.882
207 1HB CYS 30 HB2 CYS 30 62.030 0.876 0.984
208 2HB CYS 30 HB1 CYS 30 60.955 2.243 0.665
209 H GLN 31 HN GLN 31 61.534 -1.271 -1.077
210 HA GLN 31 HA GLN 31 61.198 -3.436 0.845
211 1HB GLN 31 HB2 GLN 31 60.215 -3.368 -1.796
212 2HB GLN 31 HB1 GLN 31 61.540 -4.524 -1.761
213 1HG GLN 31 HG2 GLN 31 60.461 -5.924 -0.313
214 2HG GLN 31 HG1 GLN 31 59.476 -4.627 0.364
215 1HE2 GLN 31 1HE2 GLN 31 59.416 -7.298 -1.539
216 2HE2 GLN 31 2HE2 GLN 31 57.976 -6.970 -2.454
217 H PHE 32 HN PHE 32 63.203 -1.549 -1.139
218 HA PHE 32 HA PHE 32 65.542 -2.877 -0.131
219 1HB PHE 32 HB2 PHE 32 64.861 -2.892 -3.050
220 2HB PHE 32 HB1 PHE 32 66.505 -3.100 -2.461
221 HD1 PHE 32 HD1 PHE 32 63.180 -4.568 -2.685
222 HD2 PHE 32 HD2 PHE 32 67.190 -5.117 -1.395
223 HE1 PHE 32 HE1 PHE 32 62.778 -6.996 -2.491
224 HE2 PHE 32 HE2 PHE 32 66.805 -7.542 -1.191
225 HZ PHE 32 HZ PHE 32 64.595 -8.485 -1.743
226 H ALA 33 HN ALA 33 65.406 -1.048 -3.131
227 HA ALA 33 HA ALA 33 67.468 0.578 -2.911
228 1HB ALA 33 HB1 ALA 33 64.845 1.731 -3.804
229 2HB ALA 33 HB2 ALA 33 65.752 0.557 -4.756
230 3HB ALA 33 HB3 ALA 33 66.462 2.128 -4.381
231 H HIS 34 HN HIS 34 68.219 1.515 -1.139
232 HA HIS 34 HA HIS 34 66.864 3.797 -0.032
233 1HB HIS 34 HB2 HIS 34 66.794 1.152 1.287
234 2HB HIS 34 HB1 HIS 34 67.266 2.480 2.331
235 HD1 HIS 34 HD1 HIS 34 64.536 2.986 -0.256
236 HD2 HIS 34 HD2 HIS 34 65.110 2.424 3.784
237 HE1 HIS 34 HE1 HIS 34 62.313 3.477 0.881
238 H GLY 35 HN GLY 35 68.608 3.230 2.550
239 1HA GLY 35 HA2 GLY 35 70.753 4.833 2.047
240 2HA GLY 35 HA1 GLY 35 70.675 3.624 3.341
241 H LEU 36 HN LEU 36 72.171 2.163 3.342
242 HA LEU 36 HA LEU 36 74.207 2.005 1.417
243 1HB LEU 36 HB2 LEU 36 74.017 1.270 3.966
244 2HB LEU 36 HB1 LEU 36 73.696 -0.291 3.240
245 HG LEU 36 HG LEU 36 75.972 0.717 1.926
246 1HD1 LEU 36 1HD1 LEU 36 77.509 1.119 3.774
247 2HD1 LEU 36 2HD1 LEU 36 76.174 0.997 4.920
248 3HD1 LEU 36 3HD1 LEU 36 76.217 2.321 3.754
249 1HD2 LEU 36 1HD2 LEU 36 76.478 -1.196 4.063
250 2HD2 LEU 36 2HD2 LEU 36 76.664 -1.370 2.319
251 3HD2 LEU 36 3HD2 LEU 36 75.087 -1.628 3.067
252 H GLY 37 HN GLY 37 72.212 -0.765 2.372
253 1HA GLY 37 HA2 GLY 37 71.495 -2.582 1.197
254 2HA GLY 37 HA1 GLY 37 70.999 -1.404 0.020
255 H GLU 38 HN GLU 38 73.626 -3.421 1.045
256 HA GLU 38 HA GLU 38 74.450 -3.699 -1.755
257 1HB GLU 38 HB2 GLU 38 76.450 -3.539 0.500
258 2HB GLU 38 HB1 GLU 38 76.774 -3.547 -1.227
259 1HG GLU 38 HG2 GLU 38 75.203 -1.358 -1.016
260 2HG GLU 38 HG1 GLU 38 76.022 -1.337 0.542
261 H LEU 39 HN LEU 39 72.758 -5.357 -0.290
262 HA LEU 39 HA LEU 39 73.926 -7.478 1.050
263 1HB LEU 39 HB2 LEU 39 71.516 -7.527 -0.740
264 2HB LEU 39 HB1 LEU 39 71.973 -8.835 0.331
265 HG LEU 39 HG LEU 39 71.600 -6.119 1.480
266 1HD1 LEU 39 1HD1 LEU 39 69.514 -7.728 0.184
267 2HD1 LEU 39 2HD1 LEU 39 69.534 -6.014 0.600
268 3HD1 LEU 39 3HD1 LEU 39 69.142 -7.215 1.830
269 1HD2 LEU 39 1HD2 LEU 39 71.323 -8.958 2.409
270 2HD2 LEU 39 2HD2 LEU 39 70.624 -7.617 3.317
271 3HD2 LEU 39 3HD2 LEU 39 72.364 -7.681 3.040
272 H ARG 40 HN ARG 40 73.349 -7.147 -2.363
273 HA ARG 40 HA ARG 40 74.937 -9.548 -2.908
274 1HB ARG 40 HB2 ARG 40 73.896 -9.700 -5.002
275 2HB ARG 40 HB1 ARG 40 72.614 -9.222 -3.900
276 1HG ARG 40 HG2 ARG 40 72.146 -7.568 -5.278
277 2HG ARG 40 HG1 ARG 40 73.687 -6.832 -4.841
278 1HD ARG 40 HD2 ARG 40 74.629 -8.484 -6.641
279 2HD ARG 40 HD1 ARG 40 72.965 -8.479 -7.220
280 HE ARG 40 HE ARG 40 74.302 -5.907 -6.839
281 1HH1 ARG 40 1HH1 ARG 40 73.078 -8.343 -9.031
282 2HH1 ARG 40 2HH1 ARG 40 73.099 -7.290 -10.403
283 1HH2 ARG 40 1HH2 ARG 40 74.325 -4.529 -8.656
284 2HH2 ARG 40 2HH2 ARG 40 73.808 -5.133 -10.194
285 H GLN 41 HN GLN 41 76.269 -7.235 -2.031
286 HA GLN 41 HA GLN 41 78.092 -6.873 -4.203
287 1HB GLN 41 HB2 GLN 41 76.660 -4.553 -2.918
288 2HB GLN 41 HB1 GLN 41 78.126 -4.381 -3.867
289 1HG GLN 41 HG2 GLN 41 75.850 -5.790 -5.125
290 2HG GLN 41 HG1 GLN 41 75.705 -4.053 -4.893
291 1HE2 GLN 41 1HE2 GLN 41 75.606 -4.182 -7.275
292 2HE2 GLN 41 2HE2 GLN 41 77.094 -4.118 -8.150
293 H ALA 42 HN ALA 42 77.721 -7.820 -1.254
294 HA ALA 42 HA ALA 42 80.339 -7.538 -0.446
295 1HB ALA 42 HB1 ALA 42 79.853 -6.006 1.594
296 2HB ALA 42 HB2 ALA 42 78.526 -5.411 0.596
297 3HB ALA 42 HB3 ALA 42 80.188 -5.285 0.020
298 H ASN 43 HN ASN 43 77.039 -8.243 0.289
299 HA ASN 43 HA ASN 43 77.650 -9.543 2.803
300 1HB ASN 43 HB2 ASN 43 75.363 -8.412 1.711
301 2HB ASN 43 HB1 ASN 43 75.032 -10.140 1.669
302 1HD2 ASN 43 1HD2 ASN 43 76.648 -7.916 3.916
303 2HD2 ASN 43 2HD2 ASN 43 75.781 -8.433 5.318
Start of MODEL 2
1 H MET 4 HT1 MET 4 74.719 -10.783 -8.696
2 HA MET 4 HA MET 4 77.462 -11.775 -9.032
3 1HB MET 4 HB2 MET 4 76.501 -10.996 -6.796
4 2HB MET 4 HB1 MET 4 75.406 -12.366 -6.906
5 1HG MET 4 HG2 MET 4 76.980 -13.827 -6.304
6 2HG MET 4 HG1 MET 4 78.200 -13.082 -7.332
7 1HE MET 4 HE1 MET 4 76.167 -12.440 -3.967
8 2HE MET 4 HE2 MET 4 76.229 -10.910 -4.842
9 3HE MET 4 HE3 MET 4 77.111 -11.095 -3.327
10 H THR 5 HN THR 5 74.155 -12.958 -8.421
11 HA THR 5 HA THR 5 74.619 -15.097 -10.383
12 HB THR 5 HB THR 5 73.633 -16.754 -8.900
13 HG1 THR 5 HG1 THR 5 73.445 -14.622 -7.040
14 1HG2 THR 5 1HG2 THR 5 75.377 -15.958 -6.828
15 2HG2 THR 5 2HG2 THR 5 76.121 -15.509 -8.361
16 3HG2 THR 5 3HG2 THR 5 75.632 -17.179 -8.074
17 H THR 6 HN THR 6 72.190 -13.618 -8.240
18 HA THR 6 HA THR 6 69.964 -14.412 -9.790
19 HB THR 6 HB THR 6 69.750 -13.819 -7.434
20 HG1 THR 6 HG1 THR 6 67.913 -13.539 -8.705
21 1HG2 THR 6 1HG2 THR 6 69.571 -11.093 -7.304
22 2HG2 THR 6 2HG2 THR 6 71.023 -11.344 -8.273
23 3HG2 THR 6 3HG2 THR 6 70.894 -12.074 -6.673
24 H SER 7 HN SER 7 68.410 -12.788 -10.746
25 HA SER 7 HA SER 7 69.476 -10.368 -11.841
26 1HB SER 7 HB2 SER 7 70.322 -12.481 -13.245
27 2HB SER 7 HB1 SER 7 68.741 -12.279 -14.001
28 HG SER 7 HG SER 7 70.531 -10.116 -13.663
29 H SER 8 HN SER 8 66.993 -12.880 -12.043
30 HA SER 8 HA SER 8 65.018 -10.994 -13.014
31 1HB SER 8 HB2 SER 8 64.616 -13.862 -12.142
32 2HB SER 8 HB1 SER 8 63.517 -12.882 -13.114
33 HG SER 8 HG SER 8 65.117 -14.456 -14.150
34 H ARG 9 HN ARG 9 66.159 -12.068 -9.972
35 HA ARG 9 HA ARG 9 63.778 -11.814 -8.450
36 1HB ARG 9 HB2 ARG 9 66.343 -12.688 -7.969
37 2HB ARG 9 HB1 ARG 9 66.283 -11.193 -7.047
38 1HG ARG 9 HG2 ARG 9 63.901 -12.741 -6.601
39 2HG ARG 9 HG1 ARG 9 65.337 -13.721 -6.308
40 1HD ARG 9 HD2 ARG 9 65.820 -11.199 -5.143
41 2HD ARG 9 HD1 ARG 9 64.186 -11.673 -4.682
42 HE ARG 9 HE ARG 9 66.618 -12.802 -3.735
43 1HH1 ARG 9 1HH1 ARG 9 63.302 -13.586 -4.510
44 2HH1 ARG 9 2HH1 ARG 9 63.235 -14.934 -3.423
45 1HH2 ARG 9 1HH2 ARG 9 66.525 -14.572 -2.297
46 2HH2 ARG 9 2HH2 ARG 9 65.061 -15.491 -2.165
47 H TYR 10 HN TYR 10 64.119 -10.113 -6.447
48 HA TYR 10 HA TYR 10 63.628 -7.565 -7.657
49 1HB TYR 10 HB2 TYR 10 63.450 -8.793 -4.961
50 2HB TYR 10 HB1 TYR 10 63.583 -7.049 -5.046
51 HD1 TYR 10 HD1 TYR 10 61.545 -6.003 -4.788
52 HD2 TYR 10 HD2 TYR 10 61.733 -9.639 -6.978
53 HE1 TYR 10 HE1 TYR 10 59.137 -5.835 -5.258
54 HE2 TYR 10 HE2 TYR 10 59.318 -9.485 -7.453
55 HH TYR 10 HH TYR 10 57.598 -6.915 -7.362
56 H LYS 11 HN LYS 11 64.656 -5.798 -5.807
57 HA LYS 11 HA LYS 11 67.279 -5.475 -6.761
58 1HB LYS 11 HB2 LYS 11 66.261 -3.903 -4.430
59 2HB LYS 11 HB1 LYS 11 67.251 -3.376 -5.783
60 1HG LYS 11 HG2 LYS 11 65.139 -3.842 -7.204
61 2HG LYS 11 HG1 LYS 11 64.298 -3.779 -5.647
62 1HD LYS 11 HD2 LYS 11 64.275 -1.563 -5.781
63 2HD LYS 11 HD1 LYS 11 66.038 -1.558 -5.710
64 1HE LYS 11 HE2 LYS 11 65.028 -2.226 -8.355
65 2HE LYS 11 HE1 LYS 11 64.467 -0.652 -7.797
66 1HZ LYS 11 HZ1 LYS 11 66.732 0.021 -7.423
67 2HZ LYS 11 HZ2 LYS 11 66.573 -0.526 -9.016
68 3HZ LYS 11 HZ3 LYS 11 67.308 -1.512 -7.854
69 H THR 12 HN THR 12 68.708 -4.477 -4.661
70 HA THR 12 HA THR 12 69.055 -6.795 -2.879
71 HB THR 12 HB THR 12 70.760 -6.979 -4.504
72 HG1 THR 12 HG1 THR 12 71.890 -5.671 -2.259
73 1HG2 THR 12 1HG2 THR 12 72.358 -4.697 -4.229
74 2HG2 THR 12 2HG2 THR 12 70.720 -4.123 -4.544
75 3HG2 THR 12 3HG2 THR 12 71.493 -5.246 -5.665
76 H GLU 13 HN GLU 13 68.272 -3.623 -2.904
77 HA GLU 13 HA GLU 13 69.910 -2.766 -0.734
78 1HB GLU 13 HB2 GLU 13 68.217 -1.527 -2.693
79 2HB GLU 13 HB1 GLU 13 67.902 -0.915 -1.088
80 1HG GLU 13 HG2 GLU 13 69.918 0.092 -0.900
81 2HG GLU 13 HG1 GLU 13 70.723 -1.100 -1.920
82 H LEU 14 HN LEU 14 68.400 -1.284 0.895
83 HA LEU 14 HA LEU 14 66.040 -2.543 1.834
84 1HB LEU 14 HB2 LEU 14 67.097 -3.114 4.107
85 2HB LEU 14 HB1 LEU 14 67.234 -4.256 2.786
86 HG LEU 14 HG LEU 14 69.266 -3.728 4.333
87 1HD1 LEU 14 1HD1 LEU 14 69.031 -5.124 2.201
88 2HD1 LEU 14 2HD1 LEU 14 70.637 -4.637 2.741
89 3HD1 LEU 14 3HD1 LEU 14 69.853 -3.781 1.415
90 1HD2 LEU 14 1HD2 LEU 14 69.372 -1.362 4.124
91 2HD2 LEU 14 2HD2 LEU 14 69.386 -1.449 2.365
92 3HD2 LEU 14 3HD2 LEU 14 70.772 -2.035 3.282
93 H CYS 15 HN CYS 15 65.155 -1.589 3.705
94 HA CYS 15 HA CYS 15 65.637 1.177 3.915
95 1HB CYS 15 HB2 CYS 15 63.423 -0.156 4.182
96 2HB CYS 15 HB1 CYS 15 63.962 -0.430 5.839
97 H ARG 16 HN ARG 16 67.878 1.262 4.636
98 HA ARG 16 HA ARG 16 68.713 -0.027 7.001
99 1HB ARG 16 HB2 ARG 16 69.882 1.821 5.012
100 2HB ARG 16 HB1 ARG 16 70.506 2.018 6.643
101 1HG ARG 16 HG2 ARG 16 70.540 -0.499 5.022
102 2HG ARG 16 HG1 ARG 16 71.916 0.513 5.452
103 1HD ARG 16 HD2 ARG 16 70.351 -0.334 7.753
104 2HD ARG 16 HD1 ARG 16 71.028 -1.686 6.851
105 HE ARG 16 HE ARG 16 72.544 0.482 8.130
106 1HH1 ARG 16 1HH1 ARG 16 72.473 -2.666 6.605
107 2HH1 ARG 16 2HH1 ARG 16 74.094 -3.058 7.062
108 1HH2 ARG 16 1HH2 ARG 16 74.679 -0.038 8.714
109 2HH2 ARG 16 2HH2 ARG 16 75.346 -1.569 8.254
110 H THR 17 HN THR 17 69.379 3.378 6.855
111 HA THR 17 HA THR 17 68.401 3.779 9.515
112 HB THR 17 HB THR 17 70.544 4.748 8.729
113 HG1 THR 17 HG1 THR 17 68.666 5.970 10.126
114 1HG2 THR 17 1HG2 THR 17 70.261 5.406 6.530
115 2HG2 THR 17 2HG2 THR 17 70.282 6.933 7.414
116 3HG2 THR 17 3HG2 THR 17 68.751 6.250 6.872
117 H TYR 18 HN TYR 18 67.328 4.195 6.355
118 HA TYR 18 HA TYR 18 65.699 6.358 6.270
119 1HB TYR 18 HB2 TYR 18 65.578 3.602 5.106
120 2HB TYR 18 HB1 TYR 18 64.406 4.825 4.664
121 HD1 TYR 18 HD1 TYR 18 64.909 5.235 2.427
122 HD2 TYR 18 HD2 TYR 18 68.070 5.270 5.232
123 HE1 TYR 18 HE1 TYR 18 66.385 6.185 0.739
124 HE2 TYR 18 HE2 TYR 18 69.586 6.170 3.541
125 HH TYR 18 HH TYR 18 68.483 7.499 0.647
126 H SER 19 HN SER 19 64.786 3.057 7.281
127 HA SER 19 HA SER 19 62.130 3.408 7.749
128 1HB SER 19 HB2 SER 19 62.747 1.644 9.719
129 2HB SER 19 HB1 SER 19 62.569 1.221 8.015
130 HG SER 19 HG SER 19 64.624 0.675 9.272
131 H GLU 20 HN GLU 20 64.731 4.371 9.801
132 HA GLU 20 HA GLU 20 63.192 4.824 12.128
133 1HB GLU 20 HB2 GLU 20 65.877 4.854 11.522
134 2HB GLU 20 HB1 GLU 20 65.529 6.554 11.822
135 1HG GLU 20 HG2 GLU 20 64.588 5.977 13.998
136 2HG GLU 20 HG1 GLU 20 64.933 4.273 13.696
137 H SER 21 HN SER 21 64.154 6.874 9.437
138 HA SER 21 HA SER 21 62.025 8.476 9.158
139 1HB SER 21 HB2 SER 21 63.416 9.206 11.655
140 2HB SER 21 HB1 SER 21 63.103 10.563 10.575
141 HG SER 21 HG SER 21 61.380 10.117 12.067
142 H GLY 22 HN GLY 22 64.793 7.569 8.175
143 1HA GLY 22 HA2 GLY 22 66.303 9.802 7.489
144 2HA GLY 22 HA1 GLY 22 66.379 8.245 6.696
145 H ARG 23 HN ARG 23 65.150 7.886 4.881
146 HA ARG 23 HA ARG 23 63.884 10.235 3.654
147 1HB ARG 23 HB2 ARG 23 66.161 9.934 2.792
148 2HB ARG 23 HB1 ARG 23 65.762 8.298 2.345
149 1HG ARG 23 HG2 ARG 23 63.846 9.785 1.041
150 2HG ARG 23 HG1 ARG 23 65.309 10.766 0.902
151 1HD ARG 23 HD2 ARG 23 66.493 8.645 0.175
152 2HD ARG 23 HD1 ARG 23 64.898 7.907 0.031
153 HE ARG 23 HE ARG 23 64.547 10.009 -1.510
154 1HH1 ARG 23 1HH1 ARG 23 67.319 7.884 -1.316
155 2HH1 ARG 23 2HH1 ARG 23 67.801 8.167 -2.954
156 1HH2 ARG 23 1HH2 ARG 23 65.184 10.373 -3.655
157 2HH2 ARG 23 2HH2 ARG 23 66.596 9.585 -4.279
158 H CYS 24 HN CYS 24 64.526 6.902 3.098
159 HA CYS 24 HA CYS 24 63.255 5.106 2.517
160 1HB CYS 24 HB2 CYS 24 61.163 6.949 3.448
161 2HB CYS 24 HB1 CYS 24 60.633 5.682 2.357
162 H ARG 25 HN ARG 25 64.331 5.446 0.513
163 HA ARG 25 HA ARG 25 63.580 7.080 -1.541
164 1HB ARG 25 HB2 ARG 25 65.648 5.928 -1.658
165 2HB ARG 25 HB1 ARG 25 64.868 4.362 -1.589
166 1HG ARG 25 HG2 ARG 25 65.655 4.790 -3.825
167 2HG ARG 25 HG1 ARG 25 63.889 4.779 -3.813
168 1HD ARG 25 HD2 ARG 25 63.958 7.269 -3.624
169 2HD ARG 25 HD1 ARG 25 65.703 7.185 -3.854
170 HE ARG 25 HE ARG 25 63.665 6.459 -5.849
171 1HH1 ARG 25 1HH1 ARG 25 66.977 7.266 -5.051
172 2HH1 ARG 25 2HH1 ARG 25 67.452 7.447 -6.706
173 1HH2 ARG 25 1HH2 ARG 25 64.300 6.690 -8.005
174 2HH2 ARG 25 2HH2 ARG 25 65.933 7.126 -8.380
175 H TYR 26 HN TYR 26 61.808 4.452 -0.385
176 HA TYR 26 HA TYR 26 59.828 4.772 -2.496
177 1HB TYR 26 HB2 TYR 26 60.955 2.140 -1.529
178 2HB TYR 26 HB1 TYR 26 59.443 2.269 -2.419
179 HD1 TYR 26 HD1 TYR 26 60.207 4.331 -4.422
180 HD2 TYR 26 HD2 TYR 26 62.341 0.940 -2.999
181 HE1 TYR 26 HE1 TYR 26 61.439 4.213 -6.555
182 HE2 TYR 26 HE2 TYR 26 63.577 0.821 -5.112
183 HH TYR 26 HH TYR 26 62.689 2.664 -7.876
184 H GLY 27 HN GLY 27 59.659 6.023 -0.126
185 1HA GLY 27 HA2 GLY 27 58.737 4.971 2.159
186 2HA GLY 27 HA1 GLY 27 58.004 6.400 1.451
187 H ALA 28 HN ALA 28 57.273 3.651 2.845
188 HA ALA 28 HA ALA 28 55.367 2.456 3.088
189 1HB ALA 28 HB1 ALA 28 54.388 4.563 1.218
190 2HB ALA 28 HB2 ALA 28 53.918 4.233 2.884
191 3HB ALA 28 HB3 ALA 28 53.369 3.171 1.587
192 H LYS 29 HN LYS 29 56.993 2.677 0.145
193 HA LYS 29 HA LYS 29 55.896 0.153 -0.744
194 1HB LYS 29 HB2 LYS 29 55.426 2.388 -2.068
195 2HB LYS 29 HB1 LYS 29 57.036 2.068 -2.701
196 1HG LYS 29 HG2 LYS 29 56.253 0.545 -4.070
197 2HG LYS 29 HG1 LYS 29 55.511 -0.324 -2.731
198 1HD LYS 29 HD2 LYS 29 54.210 2.111 -3.894
199 2HD LYS 29 HD1 LYS 29 53.991 0.527 -4.642
200 1HE LYS 29 HE2 LYS 29 53.591 0.554 -1.738
201 2HE LYS 29 HE1 LYS 29 52.447 1.553 -2.634
202 1HZ LYS 29 HZ1 LYS 29 52.521 -1.259 -2.379
203 2HZ LYS 29 HZ2 LYS 29 52.654 -0.839 -4.014
204 3HZ LYS 29 HZ3 LYS 29 51.339 -0.289 -3.104
205 H CYS 30 HN CYS 30 58.390 1.130 0.824
206 HA CYS 30 HA CYS 30 60.511 0.415 -0.999
207 1HB CYS 30 HB2 CYS 30 62.023 0.894 0.858
208 2HB CYS 30 HB1 CYS 30 60.908 2.221 0.502
209 H GLN 31 HN GLN 31 60.808 -1.604 -1.459
210 HA GLN 31 HA GLN 31 60.815 -3.611 0.654
211 1HB GLN 31 HB2 GLN 31 61.111 -5.003 -1.663
212 2HB GLN 31 HB1 GLN 31 59.569 -4.687 -0.887
213 1HG GLN 31 HG2 GLN 31 59.317 -4.178 -3.184
214 2HG GLN 31 HG1 GLN 31 59.379 -2.646 -2.309
215 1HE2 GLN 31 1HE2 GLN 31 60.637 -4.387 -4.865
216 2HE2 GLN 31 2HE2 GLN 31 62.023 -3.411 -5.197
217 H PHE 32 HN PHE 32 62.686 -1.671 -1.367
218 HA PHE 32 HA PHE 32 65.135 -2.808 -0.361
219 1HB PHE 32 HB2 PHE 32 64.597 -2.698 -3.333
220 2HB PHE 32 HB1 PHE 32 66.171 -2.992 -2.605
221 HD1 PHE 32 HD1 PHE 32 62.883 -4.410 -3.275
222 HD2 PHE 32 HD2 PHE 32 66.721 -5.079 -1.588
223 HE1 PHE 32 HE1 PHE 32 62.436 -6.823 -3.252
224 HE2 PHE 32 HE2 PHE 32 66.291 -7.498 -1.560
225 HZ PHE 32 HZ PHE 32 64.143 -8.378 -2.396
226 H ALA 33 HN ALA 33 66.414 -1.266 -2.778
227 HA ALA 33 HA ALA 33 67.374 0.786 -3.019
228 1HB ALA 33 HB1 ALA 33 65.017 2.298 -2.243
229 2HB ALA 33 HB2 ALA 33 64.667 0.986 -3.370
230 3HB ALA 33 HB3 ALA 33 65.857 2.217 -3.793
231 H HIS 34 HN HIS 34 66.766 3.211 -1.730
232 HA HIS 34 HA HIS 34 66.964 4.399 0.198
233 1HB HIS 34 HB2 HIS 34 66.976 1.674 1.490
234 2HB HIS 34 HB1 HIS 34 67.199 3.165 2.402
235 HD1 HIS 34 HD1 HIS 34 64.564 3.219 -0.296
236 HD2 HIS 34 HD2 HIS 34 65.006 2.699 3.764
237 HE1 HIS 34 HE1 HIS 34 62.257 3.545 0.757
238 H GLY 35 HN GLY 35 68.795 3.443 2.483
239 1HA GLY 35 HA2 GLY 35 71.145 4.658 1.656
240 2HA GLY 35 HA1 GLY 35 70.935 3.677 3.112
241 H LEU 36 HN LEU 36 72.602 2.441 3.214
242 HA LEU 36 HA LEU 36 74.371 1.525 1.432
243 1HB LEU 36 HB2 LEU 36 74.192 1.065 3.946
244 2HB LEU 36 HB1 LEU 36 73.258 -0.350 3.509
245 HG LEU 36 HG LEU 36 75.785 -0.209 2.061
246 1HD1 LEU 36 1HD1 LEU 36 77.046 0.551 3.750
247 2HD1 LEU 36 2HD1 LEU 36 76.793 -1.050 4.445
248 3HD1 LEU 36 3HD1 LEU 36 75.771 0.299 4.944
249 1HD2 LEU 36 1HD2 LEU 36 75.483 -2.433 3.855
250 2HD2 LEU 36 2HD2 LEU 36 75.464 -2.406 2.094
251 3HD2 LEU 36 3HD2 LEU 36 73.973 -2.137 2.994
252 H GLY 37 HN GLY 37 71.902 -0.823 2.438
253 1HA GLY 37 HA2 GLY 37 70.892 -2.521 1.298
254 2HA GLY 37 HA1 GLY 37 70.700 -1.342 0.039
255 H GLU 38 HN GLU 38 73.879 -2.158 0.940
256 HA GLU 38 HA GLU 38 74.302 -3.345 -1.662
257 1HB GLU 38 HB2 GLU 38 76.355 -2.932 0.507
258 2HB GLU 38 HB1 GLU 38 76.648 -3.224 -1.196
259 1HG GLU 38 HG2 GLU 38 75.075 -0.972 -1.213
260 2HG GLU 38 HG1 GLU 38 76.111 -0.745 0.196
261 H LEU 39 HN LEU 39 72.653 -4.998 -0.230
262 HA LEU 39 HA LEU 39 73.826 -6.970 1.328
263 1HB LEU 39 HB2 LEU 39 71.568 -7.191 -0.643
264 2HB LEU 39 HB1 LEU 39 72.045 -8.504 0.415
265 HG LEU 39 HG LEU 39 71.336 -5.852 1.574
266 1HD1 LEU 39 1HD1 LEU 39 69.350 -6.084 0.462
267 2HD1 LEU 39 2HD1 LEU 39 69.016 -7.125 1.844
268 3HD1 LEU 39 3HD1 LEU 39 69.519 -7.833 0.310
269 1HD2 LEU 39 1HD2 LEU 39 71.751 -8.613 2.488
270 2HD2 LEU 39 2HD2 LEU 39 70.385 -7.773 3.222
271 3HD2 LEU 39 3HD2 LEU 39 72.005 -7.087 3.332
272 H ARG 40 HN ARG 40 73.250 -7.056 -2.108
273 HA ARG 40 HA ARG 40 75.075 -9.292 -2.463
274 1HB ARG 40 HB2 ARG 40 74.100 -9.581 -4.604
275 2HB ARG 40 HB1 ARG 40 72.774 -9.165 -3.524
276 1HG ARG 40 HG2 ARG 40 72.210 -7.614 -4.979
277 2HG ARG 40 HG1 ARG 40 73.651 -6.723 -4.484
278 1HD ARG 40 HD2 ARG 40 74.227 -6.868 -6.649
279 2HD ARG 40 HD1 ARG 40 74.662 -8.530 -6.255
280 HE ARG 40 HE ARG 40 72.010 -8.665 -6.874
281 1HH1 ARG 40 1HH1 ARG 40 74.841 -7.457 -8.526
282 2HH1 ARG 40 2HH1 ARG 40 74.213 -7.800 -10.104
283 1HH2 ARG 40 1HH2 ARG 40 71.184 -9.096 -8.942
284 2HH2 ARG 40 2HH2 ARG 40 72.137 -8.724 -10.339
285 H GLN 41 HN GLN 41 76.318 -6.899 -1.693
286 HA GLN 41 HA GLN 41 78.151 -6.540 -3.852
287 1HB GLN 41 HB2 GLN 41 76.589 -4.219 -2.718
288 2HB GLN 41 HB1 GLN 41 78.043 -4.031 -3.683
289 1HG GLN 41 HG2 GLN 41 76.979 -4.487 -5.619
290 2HG GLN 41 HG1 GLN 41 75.884 -5.646 -4.877
291 1HE2 GLN 41 1HE2 GLN 41 75.990 -2.799 -6.403
292 2HE2 GLN 41 2HE2 GLN 41 74.577 -2.041 -5.760
293 H ALA 42 HN ALA 42 77.218 -5.085 -0.756
294 HA ALA 42 HA ALA 42 78.381 -4.615 1.138
295 1HB ALA 42 HB1 ALA 42 80.310 -6.281 1.617
296 2HB ALA 42 HB2 ALA 42 79.704 -7.121 0.190
297 3HB ALA 42 HB3 ALA 42 78.649 -6.868 1.578
298 H ASN 43 HN ASN 43 80.850 -4.406 1.949
299 HA ASN 43 HA ASN 43 82.387 -3.089 -0.174
300 1HB ASN 43 HB2 ASN 43 81.071 -1.812 2.056
301 2HB ASN 43 HB1 ASN 43 82.811 -1.572 2.158
302 1HD2 ASN 43 1HD2 ASN 43 83.490 0.196 1.216
303 2HD2 ASN 43 2HD2 ASN 43 82.789 0.954 -0.169
Start of MODEL 3
1 H MET 4 HT1 MET 4 70.829 -21.851 -11.259
2 HA MET 4 HA MET 4 72.333 -19.418 -11.866
3 1HB MET 4 HB2 MET 4 71.048 -21.602 -13.519
4 2HB MET 4 HB1 MET 4 71.974 -20.253 -14.162
5 1HG MET 4 HG2 MET 4 73.751 -21.282 -12.410
6 2HG MET 4 HG1 MET 4 72.880 -22.738 -12.889
7 1HE MET 4 HE1 MET 4 76.187 -22.801 -14.214
8 2HE MET 4 HE2 MET 4 75.178 -23.848 -15.212
9 3HE MET 4 HE3 MET 4 74.848 -23.688 -13.486
10 H THR 5 HN THR 5 69.145 -20.657 -11.381
11 HA THR 5 HA THR 5 67.857 -18.624 -12.986
12 HB THR 5 HB THR 5 66.792 -20.783 -12.889
13 HG1 THR 5 HG1 THR 5 65.549 -18.595 -12.419
14 1HG2 THR 5 1HG2 THR 5 65.692 -21.045 -10.374
15 2HG2 THR 5 2HG2 THR 5 67.379 -20.633 -10.065
16 3HG2 THR 5 3HG2 THR 5 66.980 -22.026 -11.069
17 H THR 6 HN THR 6 66.882 -16.796 -12.276
18 HA THR 6 HA THR 6 67.302 -16.111 -9.444
19 HB THR 6 HB THR 6 66.891 -13.711 -10.495
20 HG1 THR 6 HG1 THR 6 66.486 -14.581 -12.598
21 1HG2 THR 6 1HG2 THR 6 69.354 -13.601 -11.094
22 2HG2 THR 6 2HG2 THR 6 69.429 -15.298 -10.623
23 3HG2 THR 6 3HG2 THR 6 68.945 -14.076 -9.446
24 H SER 7 HN SER 7 64.951 -16.255 -12.025
25 HA SER 7 HA SER 7 62.684 -16.172 -12.030
26 1HB SER 7 HB2 SER 7 61.533 -16.951 -10.178
27 2HB SER 7 HB1 SER 7 63.157 -17.546 -9.839
28 HG SER 7 HG SER 7 62.682 -16.551 -8.001
29 H SER 8 HN SER 8 64.208 -13.749 -12.085
30 HA SER 8 HA SER 8 63.907 -11.497 -12.031
31 1HB SER 8 HB2 SER 8 61.018 -12.059 -11.353
32 2HB SER 8 HB1 SER 8 61.679 -10.658 -12.197
33 HG SER 8 HG SER 8 61.678 -13.333 -13.152
34 H ARG 9 HN ARG 9 65.217 -11.754 -10.005
35 HA ARG 9 HA ARG 9 63.856 -11.474 -7.485
36 1HB ARG 9 HB2 ARG 9 65.997 -12.652 -7.615
37 2HB ARG 9 HB1 ARG 9 66.781 -11.197 -8.213
38 1HG ARG 9 HG2 ARG 9 67.321 -11.445 -5.907
39 2HG ARG 9 HG1 ARG 9 66.215 -10.081 -6.065
40 1HD ARG 9 HD2 ARG 9 64.895 -11.034 -4.555
41 2HD ARG 9 HD1 ARG 9 64.609 -12.355 -5.688
42 HE ARG 9 HE ARG 9 65.945 -13.687 -4.403
43 1HH1 ARG 9 1HH1 ARG 9 66.589 -10.355 -3.583
44 2HH1 ARG 9 2HH1 ARG 9 67.610 -10.753 -2.241
45 1HH2 ARG 9 1HH2 ARG 9 67.287 -14.211 -2.639
46 2HH2 ARG 9 2HH2 ARG 9 68.005 -12.941 -1.705
47 H TYR 10 HN TYR 10 64.023 -9.674 -6.069
48 HA TYR 10 HA TYR 10 63.622 -7.173 -7.377
49 1HB TYR 10 HB2 TYR 10 63.453 -8.264 -4.630
50 2HB TYR 10 HB1 TYR 10 63.697 -6.534 -4.774
51 HD1 TYR 10 HD1 TYR 10 61.671 -5.427 -4.389
52 HD2 TYR 10 HD2 TYR 10 61.742 -8.992 -6.710
53 HE1 TYR 10 HE1 TYR 10 59.262 -5.175 -4.837
54 HE2 TYR 10 HE2 TYR 10 59.332 -8.749 -7.172
55 HH TYR 10 HH TYR 10 57.675 -6.524 -7.191
56 H LYS 11 HN LYS 11 64.780 -5.380 -5.609
57 HA LYS 11 HA LYS 11 67.359 -5.190 -6.702
58 1HB LYS 11 HB2 LYS 11 66.558 -3.554 -4.342
59 2HB LYS 11 HB1 LYS 11 67.463 -3.082 -5.775
60 1HG LYS 11 HG2 LYS 11 65.259 -3.481 -7.046
61 2HG LYS 11 HG1 LYS 11 64.508 -3.403 -5.442
62 1HD LYS 11 HD2 LYS 11 64.666 -1.187 -5.393
63 2HD LYS 11 HD1 LYS 11 66.376 -1.230 -5.827
64 1HE LYS 11 HE2 LYS 11 64.012 -1.302 -7.695
65 2HE LYS 11 HE1 LYS 11 65.174 0.008 -7.502
66 1HZ LYS 11 HZ1 LYS 11 66.880 -1.774 -8.175
67 2HZ LYS 11 HZ2 LYS 11 65.918 -1.079 -9.378
68 3HZ LYS 11 HZ3 LYS 11 65.545 -2.617 -8.784
69 H THR 12 HN THR 12 68.927 -4.230 -4.679
70 HA THR 12 HA THR 12 69.341 -6.621 -3.003
71 HB THR 12 HB THR 12 71.011 -6.534 -4.732
72 HG1 THR 12 HG1 THR 12 72.212 -5.571 -2.360
73 1HG2 THR 12 1HG2 THR 12 72.678 -4.457 -4.344
74 2HG2 THR 12 2HG2 THR 12 71.116 -3.680 -4.079
75 3HG2 THR 12 3HG2 THR 12 71.439 -4.518 -5.599
76 H GLU 13 HN GLU 13 68.607 -3.386 -2.874
77 HA GLU 13 HA GLU 13 70.216 -2.687 -0.664
78 1HB GLU 13 HB2 GLU 13 68.351 -1.365 -2.438
79 2HB GLU 13 HB1 GLU 13 68.246 -0.807 -0.784
80 1HG GLU 13 HG2 GLU 13 70.237 0.220 -0.849
81 2HG GLU 13 HG1 GLU 13 70.965 -1.048 -1.831
82 H LEU 14 HN LEU 14 68.651 -1.290 1.059
83 HA LEU 14 HA LEU 14 66.431 -2.771 2.028
84 1HB LEU 14 HB2 LEU 14 67.632 -3.211 4.289
85 2HB LEU 14 HB1 LEU 14 67.755 -4.366 2.981
86 HG LEU 14 HG LEU 14 69.839 -3.646 4.434
87 1HD1 LEU 14 1HD1 LEU 14 69.671 -4.379 1.563
88 2HD1 LEU 14 2HD1 LEU 14 70.228 -5.318 2.941
89 3HD1 LEU 14 3HD1 LEU 14 71.239 -4.037 2.284
90 1HD2 LEU 14 1HD2 LEU 14 69.554 -1.239 3.791
91 2HD2 LEU 14 2HD2 LEU 14 70.069 -1.690 2.171
92 3HD2 LEU 14 3HD2 LEU 14 71.159 -1.912 3.533
93 H CYS 15 HN CYS 15 65.301 -1.730 3.619
94 HA CYS 15 HA CYS 15 65.722 1.047 3.894
95 1HB CYS 15 HB2 CYS 15 63.481 -0.102 3.802
96 2HB CYS 15 HB1 CYS 15 63.793 -0.746 5.407
97 H ARG 16 HN ARG 16 67.835 1.168 4.934
98 HA ARG 16 HA ARG 16 68.222 -0.095 7.460
99 1HB ARG 16 HB2 ARG 16 69.851 1.496 5.551
100 2HB ARG 16 HB1 ARG 16 70.306 1.608 7.251
101 1HG ARG 16 HG2 ARG 16 70.271 -0.919 7.304
102 2HG ARG 16 HG1 ARG 16 70.181 -0.847 5.545
103 1HD ARG 16 HD2 ARG 16 72.456 -1.079 6.012
104 2HD ARG 16 HD1 ARG 16 72.246 0.636 5.668
105 HE ARG 16 HE ARG 16 72.137 0.860 8.196
106 1HH1 ARG 16 1HH1 ARG 16 74.022 -1.605 6.578
107 2HH1 ARG 16 2HH1 ARG 16 75.174 -1.733 7.865
108 1HH2 ARG 16 1HH2 ARG 16 73.662 0.695 9.868
109 2HH2 ARG 16 2HH2 ARG 16 74.971 -0.430 9.727
110 H THR 17 HN THR 17 69.355 3.177 7.224
111 HA THR 17 HA THR 17 68.173 3.869 9.699
112 HB THR 17 HB THR 17 70.364 4.737 8.931
113 HG1 THR 17 HG1 THR 17 68.317 6.312 9.895
114 1HG2 THR 17 1HG2 THR 17 68.951 5.533 6.639
115 2HG2 THR 17 2HG2 THR 17 70.660 5.753 7.007
116 3HG2 THR 17 3HG2 THR 17 69.492 6.996 7.457
117 H TYR 18 HN TYR 18 67.183 4.028 6.491
118 HA TYR 18 HA TYR 18 65.575 6.225 6.244
119 1HB TYR 18 HB2 TYR 18 65.512 3.430 5.174
120 2HB TYR 18 HB1 TYR 18 64.329 4.617 4.669
121 HD1 TYR 18 HD1 TYR 18 64.840 5.151 2.478
122 HD2 TYR 18 HD2 TYR 18 67.992 4.957 5.271
123 HE1 TYR 18 HE1 TYR 18 66.367 6.107 0.813
124 HE2 TYR 18 HE2 TYR 18 69.547 5.873 3.633
125 HH TYR 18 HH TYR 18 68.878 7.523 1.208
126 H SER 19 HN SER 19 64.707 2.986 7.465
127 HA SER 19 HA SER 19 62.033 3.233 7.839
128 1HB SER 19 HB2 SER 19 63.930 1.396 8.581
129 2HB SER 19 HB1 SER 19 63.324 1.960 10.137
130 HG SER 19 HG SER 19 61.256 1.372 9.512
131 H GLU 20 HN GLU 20 64.535 4.534 9.846
132 HA GLU 20 HA GLU 20 62.874 5.361 11.985
133 1HB GLU 20 HB2 GLU 20 65.610 5.317 11.480
134 2HB GLU 20 HB1 GLU 20 65.227 7.029 11.620
135 1HG GLU 20 HG2 GLU 20 64.621 6.859 13.810
136 2HG GLU 20 HG1 GLU 20 64.152 5.162 13.663
137 H SER 21 HN SER 21 63.957 6.894 9.024
138 HA SER 21 HA SER 21 61.952 8.424 8.285
139 1HB SER 21 HB2 SER 21 61.536 9.470 10.380
140 2HB SER 21 HB1 SER 21 63.242 9.851 10.615
141 HG SER 21 HG SER 21 61.361 11.325 9.451
142 H GLY 22 HN GLY 22 65.182 7.821 8.329
143 1HA GLY 22 HA2 GLY 22 66.570 9.934 7.407
144 2HA GLY 22 HA1 GLY 22 66.825 8.313 6.793
145 H ARG 23 HN ARG 23 64.382 8.051 5.410
146 HA ARG 23 HA ARG 23 63.858 10.173 3.644
147 1HB ARG 23 HB2 ARG 23 66.230 9.629 3.063
148 2HB ARG 23 HB1 ARG 23 65.644 8.095 2.468
149 1HG ARG 23 HG2 ARG 23 64.057 10.080 1.266
150 2HG ARG 23 HG1 ARG 23 65.736 10.601 1.133
151 1HD ARG 23 HD2 ARG 23 66.348 8.496 0.102
152 2HD ARG 23 HD1 ARG 23 64.720 7.869 0.331
153 HE ARG 23 HE ARG 23 63.960 9.540 -1.277
154 1HH1 ARG 23 1HH1 ARG 23 67.398 8.899 -1.184
155 2HH1 ARG 23 2HH1 ARG 23 67.654 9.385 -2.822
156 1HH2 ARG 23 1HH2 ARG 23 64.308 10.177 -3.432
157 2HH2 ARG 23 2HH2 ARG 23 65.907 10.106 -4.099
158 H CYS 24 HN CYS 24 64.429 6.775 3.279
159 HA CYS 24 HA CYS 24 63.149 5.028 2.593
160 1HB CYS 24 HB2 CYS 24 61.076 6.879 3.581
161 2HB CYS 24 HB1 CYS 24 60.537 5.606 2.497
162 H ARG 25 HN ARG 25 64.183 5.389 0.570
163 HA ARG 25 HA ARG 25 63.429 7.091 -1.441
164 1HB ARG 25 HB2 ARG 25 65.487 5.888 -1.575
165 2HB ARG 25 HB1 ARG 25 64.649 4.359 -1.557
166 1HG ARG 25 HG2 ARG 25 65.398 4.716 -3.773
167 2HG ARG 25 HG1 ARG 25 63.646 4.949 -3.769
168 1HD ARG 25 HD2 ARG 25 64.102 6.858 -4.845
169 2HD ARG 25 HD1 ARG 25 64.542 7.470 -3.251
170 HE ARG 25 HE ARG 25 66.851 6.407 -4.083
171 1HH1 ARG 25 1HH1 ARG 25 64.597 8.544 -5.684
172 2HH1 ARG 25 2HH1 ARG 25 65.820 9.317 -6.636
173 1HH2 ARG 25 1HH2 ARG 25 68.454 7.425 -5.336
174 2HH2 ARG 25 2HH2 ARG 25 68.007 8.684 -6.437
175 H TYR 26 HN TYR 26 61.692 4.394 -0.345
176 HA TYR 26 HA TYR 26 59.697 4.736 -2.472
177 1HB TYR 26 HB2 TYR 26 60.634 2.071 -1.384
178 2HB TYR 26 HB1 TYR 26 59.291 2.290 -2.493
179 HD1 TYR 26 HD1 TYR 26 60.532 4.224 -4.408
180 HD2 TYR 26 HD2 TYR 26 62.091 0.724 -2.561
181 HE1 TYR 26 HE1 TYR 26 62.074 3.919 -6.297
182 HE2 TYR 26 HE2 TYR 26 63.639 0.417 -4.440
183 HH TYR 26 HH TYR 26 64.673 1.690 -6.203
184 H GLY 27 HN GLY 27 59.528 6.010 -0.108
185 1HA GLY 27 HA2 GLY 27 58.622 4.978 2.184
186 2HA GLY 27 HA1 GLY 27 57.860 6.386 1.466
187 H ALA 28 HN ALA 28 57.253 3.550 2.827
188 HA ALA 28 HA ALA 28 55.343 2.383 3.151
189 1HB ALA 28 HB1 ALA 28 54.349 4.480 1.353
190 2HB ALA 28 HB2 ALA 28 53.692 3.875 2.870
191 3HB ALA 28 HB3 ALA 28 53.416 2.986 1.372
192 H LYS 29 HN LYS 29 56.726 2.645 0.024
193 HA LYS 29 HA LYS 29 55.780 -0.004 -0.673
194 1HB LYS 29 HB2 LYS 29 55.304 2.124 -2.100
195 2HB LYS 29 HB1 LYS 29 56.967 1.904 -2.625
196 1HG LYS 29 HG2 LYS 29 56.512 -0.108 -3.658
197 2HG LYS 29 HG1 LYS 29 55.021 -0.338 -2.740
198 1HD LYS 29 HD2 LYS 29 54.631 0.299 -5.109
199 2HD LYS 29 HD1 LYS 29 53.937 1.428 -3.944
200 1HE LYS 29 HE2 LYS 29 56.198 2.690 -4.227
201 2HE LYS 29 HE1 LYS 29 56.324 1.766 -5.722
202 1HZ LYS 29 HZ1 LYS 29 55.314 3.848 -6.208
203 2HZ LYS 29 HZ2 LYS 29 54.176 3.671 -4.968
204 3HZ LYS 29 HZ3 LYS 29 54.107 2.669 -6.330
205 H CYS 30 HN CYS 30 58.343 1.312 0.747
206 HA CYS 30 HA CYS 30 60.458 0.511 -0.955
207 1HB CYS 30 HB2 CYS 30 61.928 0.864 1.002
208 2HB CYS 30 HB1 CYS 30 60.893 2.240 0.604
209 H GLN 31 HN GLN 31 61.517 -1.225 -1.199
210 HA GLN 31 HA GLN 31 61.139 -3.463 0.641
211 1HB GLN 31 HB2 GLN 31 60.420 -3.291 -2.105
212 2HB GLN 31 HB1 GLN 31 61.700 -4.480 -1.925
213 1HG GLN 31 HG2 GLN 31 60.416 -5.866 -0.635
214 2HG GLN 31 HG1 GLN 31 59.365 -4.556 -0.091
215 1HE2 GLN 31 1HE2 GLN 31 59.563 -7.204 -2.045
216 2HE2 GLN 31 2HE2 GLN 31 58.269 -6.846 -3.142
217 H PHE 32 HN PHE 32 63.227 -1.456 -1.135
218 HA PHE 32 HA PHE 32 65.542 -2.767 -0.022
219 1HB PHE 32 HB2 PHE 32 65.077 -2.694 -2.994
220 2HB PHE 32 HB1 PHE 32 66.661 -2.947 -2.276
221 HD1 PHE 32 HD1 PHE 32 63.332 -4.362 -2.801
222 HD2 PHE 32 HD2 PHE 32 67.250 -5.038 -1.300
223 HE1 PHE 32 HE1 PHE 32 62.888 -6.785 -2.742
224 HE2 PHE 32 HE2 PHE 32 66.818 -7.459 -1.233
225 HZ PHE 32 HZ PHE 32 64.634 -8.337 -1.957
226 H ALA 33 HN ALA 33 65.484 -0.872 -2.973
227 HA ALA 33 HA ALA 33 67.488 0.793 -2.680
228 1HB ALA 33 HB1 ALA 33 64.995 2.132 -3.566
229 2HB ALA 33 HB2 ALA 33 65.557 0.713 -4.452
230 3HB ALA 33 HB3 ALA 33 66.598 2.127 -4.298
231 H HIS 34 HN HIS 34 68.199 1.794 -0.916
232 HA HIS 34 HA HIS 34 66.805 4.083 0.088
233 1HB HIS 34 HB2 HIS 34 66.893 1.573 1.721
234 2HB HIS 34 HB1 HIS 34 67.096 3.128 2.529
235 HD1 HIS 34 HD1 HIS 34 64.502 3.240 -0.158
236 HD2 HIS 34 HD2 HIS 34 64.879 2.486 3.869
237 HE1 HIS 34 HE1 HIS 34 62.184 3.527 0.874
238 H GLY 35 HN GLY 35 68.676 2.855 2.627
239 1HA GLY 35 HA2 GLY 35 70.647 4.770 2.542
240 2HA GLY 35 HA1 GLY 35 70.737 3.256 3.460
241 H LEU 36 HN LEU 36 72.135 1.722 2.817
242 HA LEU 36 HA LEU 36 73.782 2.300 0.462
243 1HB LEU 36 HB2 LEU 36 74.970 0.197 1.761
244 2HB LEU 36 HB1 LEU 36 75.454 1.872 1.867
245 HG LEU 36 HG LEU 36 73.610 1.847 3.802
246 1HD1 LEU 36 1HD1 LEU 36 72.869 -0.253 4.105
247 2HD1 LEU 36 2HD1 LEU 36 74.407 -0.504 4.928
248 3HD1 LEU 36 3HD1 LEU 36 74.227 -0.962 3.232
249 1HD2 LEU 36 1HD2 LEU 36 75.893 2.585 4.073
250 2HD2 LEU 36 2HD2 LEU 36 76.462 0.916 4.055
251 3HD2 LEU 36 3HD2 LEU 36 75.458 1.491 5.388
252 H GLY 37 HN GLY 37 72.426 -0.498 2.173
253 1HA GLY 37 HA2 GLY 37 71.693 -2.521 1.442
254 2HA GLY 37 HA1 GLY 37 70.980 -1.592 0.158
255 H GLU 38 HN GLU 38 73.706 -3.443 1.150
256 HA GLU 38 HA GLU 38 74.335 -3.932 -1.680
257 1HB GLU 38 HB2 GLU 38 76.448 -3.861 0.469
258 2HB GLU 38 HB1 GLU 38 76.677 -3.917 -1.274
259 1HG GLU 38 HG2 GLU 38 75.236 -1.619 -0.950
260 2HG GLU 38 HG1 GLU 38 76.253 -1.639 0.490
261 H LEU 39 HN LEU 39 72.600 -5.506 -0.367
262 HA LEU 39 HA LEU 39 73.646 -7.670 1.052
263 1HB LEU 39 HB2 LEU 39 71.248 -7.608 -0.763
264 2HB LEU 39 HB1 LEU 39 71.600 -8.879 0.396
265 HG LEU 39 HG LEU 39 71.416 -6.070 1.348
266 1HD1 LEU 39 1HD1 LEU 39 69.201 -7.684 0.249
267 2HD1 LEU 39 2HD1 LEU 39 69.354 -5.936 0.418
268 3HD1 LEU 39 3HD1 LEU 39 68.905 -6.918 1.809
269 1HD2 LEU 39 1HD2 LEU 39 70.337 -7.405 3.284
270 2HD2 LEU 39 2HD2 LEU 39 72.081 -7.498 3.041
271 3HD2 LEU 39 3HD2 LEU 39 71.043 -8.809 2.484
272 H ARG 40 HN ARG 40 73.548 -7.039 -2.324
273 HA ARG 40 HA ARG 40 74.991 -9.544 -2.842
274 1HB ARG 40 HB2 ARG 40 73.833 -9.909 -4.853
275 2HB ARG 40 HB1 ARG 40 72.604 -9.517 -3.658
276 1HG ARG 40 HG2 ARG 40 71.849 -7.960 -5.015
277 2HG ARG 40 HG1 ARG 40 73.367 -7.078 -4.797
278 1HD ARG 40 HD2 ARG 40 74.346 -8.285 -6.664
279 2HD ARG 40 HD1 ARG 40 72.878 -9.234 -6.850
280 HE ARG 40 HE ARG 40 73.273 -6.456 -7.624
281 1HH1 ARG 40 1HH1 ARG 40 71.057 -9.134 -7.250
282 2HH1 ARG 40 2HH1 ARG 40 69.865 -8.451 -8.302
283 1HH2 ARG 40 1HH2 ARG 40 71.702 -5.563 -9.003
284 2HH2 ARG 40 2HH2 ARG 40 70.230 -6.425 -9.295
285 H GLN 41 HN GLN 41 76.147 -7.004 -2.271
286 HA GLN 41 HA GLN 41 77.802 -6.756 -4.586
287 1HB GLN 41 HB2 GLN 41 76.216 -4.437 -3.496
288 2HB GLN 41 HB1 GLN 41 77.630 -4.233 -4.521
289 1HG GLN 41 HG2 GLN 41 75.809 -6.084 -5.727
290 2HG GLN 41 HG1 GLN 41 74.969 -4.595 -5.308
291 1HE2 GLN 41 1HE2 GLN 41 77.793 -5.870 -6.992
292 2HE2 GLN 41 2HE2 GLN 41 77.910 -4.589 -8.145
293 H ALA 42 HN ALA 42 79.078 -7.849 -2.875
294 HA ALA 42 HA ALA 42 79.853 -6.763 -0.480
295 1HB ALA 42 HB1 ALA 42 81.647 -8.254 -0.491
296 2HB ALA 42 HB2 ALA 42 81.825 -8.171 -2.243
297 3HB ALA 42 HB3 ALA 42 80.453 -9.024 -1.534
298 H ASN 43 HN ASN 43 82.316 -6.104 -0.128
299 HA ASN 43 HA ASN 43 82.562 -3.474 -1.082
300 1HB ASN 43 HB2 ASN 43 83.689 -4.854 0.958
301 2HB ASN 43 HB1 ASN 43 85.039 -4.813 -0.171
302 1HD2 ASN 43 1HD2 ASN 43 85.537 -3.574 2.047
303 2HD2 ASN 43 2HD2 ASN 43 85.423 -1.857 1.898
Start of MODEL 4
1 H MET 4 HT1 MET 4 69.647 -22.591 -7.554
2 HA MET 4 HA MET 4 68.545 -22.126 -9.626
3 1HB MET 4 HB2 MET 4 69.066 -24.373 -10.592
4 2HB MET 4 HB1 MET 4 67.840 -25.067 -9.537
5 1HG MET 4 HG2 MET 4 66.119 -23.777 -10.631
6 2HG MET 4 HG1 MET 4 67.323 -22.961 -11.626
7 1HE MET 4 HE1 MET 4 67.195 -24.309 -14.558
8 2HE MET 4 HE2 MET 4 68.649 -25.147 -14.010
9 3HE MET 4 HE3 MET 4 68.281 -23.531 -13.406
10 H THR 5 HN THR 5 67.269 -20.860 -8.370
11 HA THR 5 HA THR 5 64.865 -22.095 -7.285
12 HB THR 5 HB THR 5 65.405 -20.291 -5.294
13 HG1 THR 5 HG1 THR 5 67.606 -20.223 -6.253
14 1HG2 THR 5 1HG2 THR 5 65.119 -22.054 -3.989
15 2HG2 THR 5 2HG2 THR 5 66.562 -22.847 -4.623
16 3HG2 THR 5 3HG2 THR 5 65.018 -23.023 -5.460
17 H THR 6 HN THR 6 66.250 -18.867 -6.770
18 HA THR 6 HA THR 6 63.819 -17.625 -7.659
19 HB THR 6 HB THR 6 65.414 -15.522 -7.406
20 HG1 THR 6 HG1 THR 6 67.329 -16.657 -7.164
21 1HG2 THR 6 1HG2 THR 6 64.389 -15.174 -5.470
22 2HG2 THR 6 2HG2 THR 6 65.069 -16.633 -4.750
23 3HG2 THR 6 3HG2 THR 6 63.610 -16.732 -5.736
24 H SER 7 HN SER 7 63.545 -16.254 -9.440
25 HA SER 7 HA SER 7 65.455 -16.745 -11.629
26 1HB SER 7 HB2 SER 7 62.559 -15.948 -11.945
27 2HB SER 7 HB1 SER 7 63.644 -16.588 -13.177
28 HG SER 7 HG SER 7 63.713 -18.460 -11.519
29 H SER 8 HN SER 8 63.491 -14.300 -10.023
30 HA SER 8 HA SER 8 65.329 -12.235 -10.789
31 1HB SER 8 HB2 SER 8 63.267 -12.711 -12.590
32 2HB SER 8 HB1 SER 8 62.678 -11.354 -11.630
33 HG SER 8 HG SER 8 64.115 -10.984 -13.585
34 H ARG 9 HN ARG 9 65.540 -11.839 -8.606
35 HA ARG 9 HA ARG 9 63.211 -11.305 -6.970
36 1HB ARG 9 HB2 ARG 9 65.796 -12.176 -6.449
37 2HB ARG 9 HB1 ARG 9 65.787 -10.529 -5.834
38 1HG ARG 9 HG2 ARG 9 63.402 -11.940 -5.032
39 2HG ARG 9 HG1 ARG 9 64.857 -12.822 -4.557
40 1HD ARG 9 HD2 ARG 9 65.123 -11.424 -2.853
41 2HD ARG 9 HD1 ARG 9 65.314 -10.091 -3.987
42 HE ARG 9 HE ARG 9 63.110 -9.478 -3.619
43 1HH1 ARG 9 1HH1 ARG 9 63.823 -12.461 -1.949
44 2HH1 ARG 9 2HH1 ARG 9 62.391 -12.402 -0.980
45 1HH2 ARG 9 1HH2 ARG 9 61.231 -9.400 -2.348
46 2HH2 ARG 9 2HH2 ARG 9 60.918 -10.667 -1.209
47 H TYR 10 HN TYR 10 63.851 -9.282 -5.380
48 HA TYR 10 HA TYR 10 63.349 -6.988 -7.020
49 1HB TYR 10 HB2 TYR 10 63.260 -7.712 -4.166
50 2HB TYR 10 HB1 TYR 10 63.569 -6.021 -4.511
51 HD1 TYR 10 HD1 TYR 10 61.644 -4.749 -4.310
52 HD2 TYR 10 HD2 TYR 10 61.406 -8.646 -5.995
53 HE1 TYR 10 HE1 TYR 10 59.243 -4.413 -4.718
54 HE2 TYR 10 HE2 TYR 10 58.997 -8.324 -6.412
55 HH TYR 10 HH TYR 10 57.459 -5.242 -6.016
56 H LYS 11 HN LYS 11 64.602 -5.002 -5.509
57 HA LYS 11 HA LYS 11 67.033 -4.778 -6.826
58 1HB LYS 11 HB2 LYS 11 66.264 -3.211 -4.379
59 2HB LYS 11 HB1 LYS 11 67.263 -2.695 -5.732
60 1HG LYS 11 HG2 LYS 11 64.759 -3.460 -6.798
61 2HG LYS 11 HG1 LYS 11 64.443 -2.434 -5.387
62 1HD LYS 11 HD2 LYS 11 64.614 -0.885 -7.091
63 2HD LYS 11 HD1 LYS 11 66.257 -0.892 -6.445
64 1HE LYS 11 HE2 LYS 11 66.936 -2.445 -8.215
65 2HE LYS 11 HE1 LYS 11 65.292 -2.436 -8.852
66 1HZ LYS 11 HZ1 LYS 11 66.207 -0.858 -10.168
67 2HZ LYS 11 HZ2 LYS 11 67.364 -0.388 -9.026
68 3HZ LYS 11 HZ3 LYS 11 65.766 0.148 -8.879
69 H THR 12 HN THR 12 68.749 -3.715 -4.901
70 HA THR 12 HA THR 12 69.493 -6.081 -3.326
71 HB THR 12 HB THR 12 70.957 -6.205 -5.136
72 HG1 THR 12 HG1 THR 12 72.649 -6.232 -3.935
73 1HG2 THR 12 1HG2 THR 12 70.377 -3.920 -6.035
74 2HG2 THR 12 2HG2 THR 12 72.046 -4.451 -6.243
75 3HG2 THR 12 3HG2 THR 12 71.639 -3.292 -4.975
76 H GLU 13 HN GLU 13 68.148 -3.862 -2.230
77 HA GLU 13 HA GLU 13 70.208 -2.837 -0.498
78 1HB GLU 13 HB2 GLU 13 68.551 -1.356 -2.276
79 2HB GLU 13 HB1 GLU 13 68.229 -0.895 -0.615
80 1HG GLU 13 HG2 GLU 13 70.328 -0.065 -0.287
81 2HG GLU 13 HG1 GLU 13 71.033 -1.141 -1.488
82 H LEU 14 HN LEU 14 68.700 -1.393 1.263
83 HA LEU 14 HA LEU 14 66.452 -2.872 2.214
84 1HB LEU 14 HB2 LEU 14 67.761 -3.271 4.470
85 2HB LEU 14 HB1 LEU 14 67.726 -4.460 3.190
86 HG LEU 14 HG LEU 14 69.964 -3.954 4.369
87 1HD1 LEU 14 1HD1 LEU 14 70.354 -3.748 1.455
88 2HD1 LEU 14 2HD1 LEU 14 69.370 -5.089 2.035
89 3HD1 LEU 14 3HD1 LEU 14 71.019 -4.887 2.622
90 1HD2 LEU 14 1HD2 LEU 14 71.208 -2.108 3.742
91 2HD2 LEU 14 2HD2 LEU 14 69.597 -1.439 3.977
92 3HD2 LEU 14 3HD2 LEU 14 70.186 -1.758 2.350
93 H CYS 15 HN CYS 15 65.286 -1.773 3.732
94 HA CYS 15 HA CYS 15 65.751 0.980 3.988
95 1HB CYS 15 HB2 CYS 15 63.499 -0.209 3.970
96 2HB CYS 15 HB1 CYS 15 63.824 -0.700 5.627
97 H ARG 16 HN ARG 16 67.928 0.967 4.918
98 HA ARG 16 HA ARG 16 68.433 -0.124 7.484
99 1HB ARG 16 HB2 ARG 16 69.907 1.504 5.471
100 2HB ARG 16 HB1 ARG 16 70.428 1.657 7.143
101 1HG ARG 16 HG2 ARG 16 70.730 -0.765 7.291
102 2HG ARG 16 HG1 ARG 16 70.241 -0.912 5.605
103 1HD ARG 16 HD2 ARG 16 72.463 -0.792 5.229
104 2HD ARG 16 HD1 ARG 16 72.179 0.941 5.375
105 HE ARG 16 HE ARG 16 73.139 0.908 7.507
106 1HH1 ARG 16 1HH1 ARG 16 73.116 -2.273 6.059
107 2HH1 ARG 16 2HH1 ARG 16 74.274 -2.919 7.171
108 1HH2 ARG 16 1HH2 ARG 16 74.655 0.051 8.970
109 2HH2 ARG 16 2HH2 ARG 16 75.143 -1.604 8.824
110 H THR 17 HN THR 17 69.388 3.178 7.047
111 HA THR 17 HA THR 17 68.294 3.943 9.555
112 HB THR 17 HB THR 17 70.447 4.822 8.695
113 HG1 THR 17 HG1 THR 17 68.559 6.907 9.025
114 1HG2 THR 17 1HG2 THR 17 70.556 6.498 7.010
115 2HG2 THR 17 2HG2 THR 17 68.804 6.488 6.812
116 3HG2 THR 17 3HG2 THR 17 69.753 5.085 6.325
117 H TYR 18 HN TYR 18 67.344 4.049 6.311
118 HA TYR 18 HA TYR 18 65.676 6.154 5.986
119 1HB TYR 18 HB2 TYR 18 65.726 3.324 5.014
120 2HB TYR 18 HB1 TYR 18 64.475 4.427 4.472
121 HD1 TYR 18 HD1 TYR 18 64.930 5.005 2.297
122 HD2 TYR 18 HD2 TYR 18 68.134 4.903 5.021
123 HE1 TYR 18 HE1 TYR 18 66.400 5.984 0.590
124 HE2 TYR 18 HE2 TYR 18 69.641 5.846 3.348
125 HH TYR 18 HH TYR 18 68.458 7.122 0.357
126 H SER 19 HN SER 19 64.816 2.949 7.313
127 HA SER 19 HA SER 19 62.124 3.297 7.643
128 1HB SER 19 HB2 SER 19 62.806 1.733 9.814
129 2HB SER 19 HB1 SER 19 62.479 1.148 8.184
130 HG SER 19 HG SER 19 65.033 1.980 9.089
131 H GLU 20 HN GLU 20 64.667 4.322 9.765
132 HA GLU 20 HA GLU 20 63.149 4.983 12.011
133 1HB GLU 20 HB2 GLU 20 65.825 5.230 11.238
134 2HB GLU 20 HB1 GLU 20 65.304 6.876 11.570
135 1HG GLU 20 HG2 GLU 20 64.630 6.270 13.795
136 2HG GLU 20 HG1 GLU 20 64.970 4.565 13.471
137 H SER 21 HN SER 21 64.001 6.890 9.176
138 HA SER 21 HA SER 21 61.806 8.273 8.635
139 1HB SER 21 HB2 SER 21 62.244 10.510 9.959
140 2HB SER 21 HB1 SER 21 61.300 9.214 10.695
141 HG SER 21 HG SER 21 64.097 9.422 11.049
142 H GLY 22 HN GLY 22 64.523 7.574 7.721
143 1HA GLY 22 HA2 GLY 22 65.944 9.952 7.190
144 2HA GLY 22 HA1 GLY 22 66.238 8.394 6.443
145 H ARG 23 HN ARG 23 65.324 7.926 4.521
146 HA ARG 23 HA ARG 23 63.980 10.136 3.123
147 1HB ARG 23 HB2 ARG 23 66.326 9.653 2.405
148 2HB ARG 23 HB1 ARG 23 65.794 8.064 1.919
149 1HG ARG 23 HG2 ARG 23 64.092 10.012 0.726
150 2HG ARG 23 HG1 ARG 23 65.774 10.425 0.405
151 1HD ARG 23 HD2 ARG 23 66.192 8.370 -0.661
152 2HD ARG 23 HD1 ARG 23 64.733 7.633 -0.009
153 HE ARG 23 HE ARG 23 63.453 8.797 -1.601
154 1HH1 ARG 23 1HH1 ARG 23 66.875 9.441 -1.952
155 2HH1 ARG 23 2HH1 ARG 23 66.715 10.049 -3.564
156 1HH2 ARG 23 1HH2 ARG 23 63.253 9.597 -3.716
157 2HH2 ARG 23 2HH2 ARG 23 64.662 10.141 -4.564
158 H CYS 24 HN CYS 24 64.565 6.731 2.961
159 HA CYS 24 HA CYS 24 63.289 4.939 2.360
160 1HB CYS 24 HB2 CYS 24 61.233 6.841 3.299
161 2HB CYS 24 HB1 CYS 24 60.668 5.506 2.305
162 H ARG 25 HN ARG 25 64.301 5.255 0.309
163 HA ARG 25 HA ARG 25 63.527 6.823 -1.765
164 1HB ARG 25 HB2 ARG 25 65.534 5.541 -1.861
165 2HB ARG 25 HB1 ARG 25 64.648 4.043 -1.786
166 1HG ARG 25 HG2 ARG 25 65.047 4.039 -4.001
167 2HG ARG 25 HG1 ARG 25 63.598 5.051 -4.042
168 1HD ARG 25 HD2 ARG 25 64.766 6.773 -4.829
169 2HD ARG 25 HD1 ARG 25 65.915 6.662 -3.497
170 HE ARG 25 HE ARG 25 66.465 4.660 -5.408
171 1HH1 ARG 25 1HH1 ARG 25 66.708 8.110 -4.945
172 2HH1 ARG 25 2HH1 ARG 25 68.056 8.286 -6.017
173 1HH2 ARG 25 1HH2 ARG 25 68.241 4.890 -6.819
174 2HH2 ARG 25 2HH2 ARG 25 68.923 6.459 -7.084
175 H TYR 26 HN TYR 26 61.748 4.202 -0.519
176 HA TYR 26 HA TYR 26 59.679 4.572 -2.575
177 1HB TYR 26 HB2 TYR 26 60.486 1.916 -1.369
178 2HB TYR 26 HB1 TYR 26 59.144 2.162 -2.479
179 HD1 TYR 26 HD1 TYR 26 60.313 3.813 -4.568
180 HD2 TYR 26 HD2 TYR 26 62.016 0.565 -2.409
181 HE1 TYR 26 HE1 TYR 26 61.815 3.356 -6.460
182 HE2 TYR 26 HE2 TYR 26 63.536 0.113 -4.290
183 HH TYR 26 HH TYR 26 64.521 1.581 -6.266
184 H GLY 27 HN GLY 27 59.709 5.967 -0.253
185 1HA GLY 27 HA2 GLY 27 58.773 5.100 2.103
186 2HA GLY 27 HA1 GLY 27 58.151 6.558 1.356
187 H ALA 28 HN ALA 28 57.286 3.806 2.800
188 HA ALA 28 HA ALA 28 55.224 2.925 3.207
189 1HB ALA 28 HB1 ALA 28 54.526 5.220 1.854
190 2HB ALA 28 HB2 ALA 28 53.421 4.112 2.667
191 3HB ALA 28 HB3 ALA 28 53.732 3.939 0.940
192 H LYS 29 HN LYS 29 56.690 2.827 0.131
193 HA LYS 29 HA LYS 29 55.521 0.233 -0.407
194 1HB LYS 29 HB2 LYS 29 55.011 2.273 -1.928
195 2HB LYS 29 HB1 LYS 29 56.627 1.966 -2.550
196 1HG LYS 29 HG2 LYS 29 55.916 0.280 -3.762
197 2HG LYS 29 HG1 LYS 29 55.159 -0.469 -2.361
198 1HD LYS 29 HD2 LYS 29 53.940 1.689 -4.078
199 2HD LYS 29 HD1 LYS 29 53.518 -0.024 -4.121
200 1HE LYS 29 HE2 LYS 29 53.357 0.913 -1.426
201 2HE LYS 29 HE1 LYS 29 52.443 2.002 -2.470
202 1HZ LYS 29 HZ1 LYS 29 51.909 -0.749 -1.748
203 2HZ LYS 29 HZ2 LYS 29 51.666 -0.389 -3.383
204 3HZ LYS 29 HZ3 LYS 29 50.837 0.481 -2.195
205 H CYS 30 HN CYS 30 58.089 1.233 0.972
206 HA CYS 30 HA CYS 30 60.126 0.370 -0.863
207 1HB CYS 30 HB2 CYS 30 61.723 0.851 0.903
208 2HB CYS 30 HB1 CYS 30 60.617 2.204 0.609
209 H GLN 31 HN GLN 31 61.000 -1.446 -1.099
210 HA GLN 31 HA GLN 31 60.837 -3.505 0.959
211 1HB GLN 31 HB2 GLN 31 59.953 -3.550 -1.762
212 2HB GLN 31 HB1 GLN 31 61.169 -4.791 -1.493
213 1HG GLN 31 HG2 GLN 31 59.878 -5.825 0.171
214 2HG GLN 31 HG1 GLN 31 58.813 -4.426 0.299
215 1HE2 GLN 31 1HE2 GLN 31 59.282 -7.430 -1.086
216 2HE2 GLN 31 2HE2 GLN 31 57.996 -7.383 -2.250
217 H PHE 32 HN PHE 32 62.649 -1.692 -1.256
218 HA PHE 32 HA PHE 32 65.154 -2.552 -0.203
219 1HB PHE 32 HB2 PHE 32 64.505 -3.048 -3.113
220 2HB PHE 32 HB1 PHE 32 66.115 -3.140 -2.415
221 HD1 PHE 32 HD1 PHE 32 62.851 -4.739 -2.656
222 HD2 PHE 32 HD2 PHE 32 66.778 -4.989 -1.053
223 HE1 PHE 32 HE1 PHE 32 62.496 -7.131 -2.173
224 HE2 PHE 32 HE2 PHE 32 66.432 -7.375 -0.551
225 HZ PHE 32 HZ PHE 32 64.291 -8.452 -1.118
226 H ALA 33 HN ALA 33 66.779 -1.480 -2.174
227 HA ALA 33 HA ALA 33 67.710 0.526 -2.732
228 1HB ALA 33 HB1 ALA 33 66.623 1.549 -4.446
229 2HB ALA 33 HB2 ALA 33 65.075 1.563 -3.603
230 3HB ALA 33 HB3 ALA 33 65.658 0.077 -4.350
231 H HIS 34 HN HIS 34 68.340 1.593 -0.941
232 HA HIS 34 HA HIS 34 66.841 3.880 -0.083
233 1HB HIS 34 HB2 HIS 34 66.933 1.417 1.606
234 2HB HIS 34 HB1 HIS 34 67.154 2.972 2.407
235 HD1 HIS 34 HD1 HIS 34 64.548 3.096 -0.277
236 HD2 HIS 34 HD2 HIS 34 64.936 2.376 3.757
237 HE1 HIS 34 HE1 HIS 34 62.224 3.351 0.757
238 H GLY 35 HN GLY 35 68.743 2.616 2.467
239 1HA GLY 35 HA2 GLY 35 70.759 4.599 2.158
240 2HA GLY 35 HA1 GLY 35 70.646 3.370 3.434
241 H LEU 36 HN LEU 36 72.285 2.059 3.501
242 HA LEU 36 HA LEU 36 74.282 1.882 1.531
243 1HB LEU 36 HB2 LEU 36 74.368 1.439 4.070
244 2HB LEU 36 HB1 LEU 36 73.832 -0.178 3.676
245 HG LEU 36 HG LEU 36 76.097 0.595 2.053
246 1HD1 LEU 36 1HD1 LEU 36 77.160 1.822 3.616
247 2HD1 LEU 36 2HD1 LEU 36 77.545 0.241 4.296
248 3HD1 LEU 36 3HD1 LEU 36 76.192 1.170 4.939
249 1HD2 LEU 36 1HD2 LEU 36 76.430 -1.599 2.184
250 2HD2 LEU 36 2HD2 LEU 36 74.967 -1.702 3.166
251 3HD2 LEU 36 3HD2 LEU 36 76.543 -1.535 3.942
252 H GLY 37 HN GLY 37 72.556 -0.983 2.737
253 1HA GLY 37 HA2 GLY 37 72.015 -2.934 1.676
254 2HA GLY 37 HA1 GLY 37 71.188 -1.865 0.582
255 H GLU 38 HN GLU 38 74.177 -3.484 1.215
256 HA GLU 38 HA GLU 38 74.613 -3.732 -1.682
257 1HB GLU 38 HB2 GLU 38 76.877 -3.179 0.243
258 2HB GLU 38 HB1 GLU 38 76.945 -3.219 -1.513
259 1HG GLU 38 HG2 GLU 38 75.080 -1.280 -1.064
260 2HG GLU 38 HG1 GLU 38 76.184 -1.056 0.291
261 H LEU 39 HN LEU 39 73.415 -5.579 -0.016
262 HA LEU 39 HA LEU 39 75.407 -7.526 0.770
263 1HB LEU 39 HB2 LEU 39 72.407 -7.754 0.659
264 2HB LEU 39 HB1 LEU 39 73.487 -8.944 1.363
265 HG LEU 39 HG LEU 39 73.589 -6.146 2.352
266 1HD1 LEU 39 1HD1 LEU 39 71.641 -8.128 3.485
267 2HD1 LEU 39 2HD1 LEU 39 71.170 -6.974 2.238
268 3HD1 LEU 39 3HD1 LEU 39 71.760 -6.394 3.794
269 1HD2 LEU 39 1HD2 LEU 39 73.671 -8.321 4.270
270 2HD2 LEU 39 2HD2 LEU 39 74.837 -7.033 3.972
271 3HD2 LEU 39 3HD2 LEU 39 74.883 -8.503 3.001
272 H ARG 40 HN ARG 40 73.512 -6.812 -1.960
273 HA ARG 40 HA ARG 40 74.402 -9.277 -3.294
274 1HB ARG 40 HB2 ARG 40 72.206 -8.238 -4.732
275 2HB ARG 40 HB1 ARG 40 72.271 -9.723 -3.796
276 1HG ARG 40 HG2 ARG 40 71.734 -7.124 -2.430
277 2HG ARG 40 HG1 ARG 40 70.440 -7.963 -3.292
278 1HD ARG 40 HD2 ARG 40 71.190 -10.031 -1.941
279 2HD ARG 40 HD1 ARG 40 72.008 -8.868 -0.902
280 HE ARG 40 HE ARG 40 69.260 -9.473 -0.890
281 1HH1 ARG 40 1HH1 ARG 40 71.403 -6.722 -0.682
282 2HH1 ARG 40 2HH1 ARG 40 70.319 -5.797 0.297
283 1HH2 ARG 40 1HH2 ARG 40 67.846 -8.260 0.412
284 2HH2 ARG 40 2HH2 ARG 40 68.302 -6.668 0.921
285 H GLN 41 HN GLN 41 76.199 -7.391 -3.354
286 HA GLN 41 HA GLN 41 76.282 -6.581 -6.078
287 1HB GLN 41 HB2 GLN 41 76.077 -4.557 -3.863
288 2HB GLN 41 HB1 GLN 41 76.800 -4.165 -5.417
289 1HG GLN 41 HG2 GLN 41 74.679 -4.824 -6.515
290 2HG GLN 41 HG1 GLN 41 73.979 -5.057 -4.914
291 1HE2 GLN 41 1HE2 GLN 41 73.409 -3.160 -7.166
292 2HE2 GLN 41 2HE2 GLN 41 73.415 -1.597 -6.430
293 H ALA 42 HN ALA 42 77.760 -7.969 -3.665
294 HA ALA 42 HA ALA 42 80.303 -7.867 -4.716
295 1HB ALA 42 HB1 ALA 42 81.475 -6.258 -3.665
296 2HB ALA 42 HB2 ALA 42 80.568 -6.436 -2.164
297 3HB ALA 42 HB3 ALA 42 79.892 -5.499 -3.494
298 H ASN 43 HN ASN 43 79.026 -7.782 -1.390
299 HA ASN 43 HA ASN 43 80.584 -10.095 -0.661
300 1HB ASN 43 HB2 ASN 43 78.651 -8.314 0.798
301 2HB ASN 43 HB1 ASN 43 79.231 -9.809 1.525
302 1HD2 ASN 43 1HD2 ASN 43 81.595 -10.064 1.643
303 2HD2 ASN 43 2HD2 ASN 43 82.549 -8.659 1.962
Start of MODEL 5
1 H MET 4 HT1 MET 4 68.347 -20.133 -3.322
2 HA MET 4 HA MET 4 69.413 -20.158 -6.064
3 1HB MET 4 HB2 MET 4 69.814 -22.174 -4.510
4 2HB MET 4 HB1 MET 4 68.076 -22.420 -4.592
5 1HG MET 4 HG2 MET 4 68.130 -22.945 -6.852
6 2HG MET 4 HG1 MET 4 69.705 -22.190 -7.089
7 1HE MET 4 HE1 MET 4 68.734 -25.377 -7.994
8 2HE MET 4 HE2 MET 4 70.398 -25.953 -7.892
9 3HE MET 4 HE3 MET 4 70.057 -24.354 -8.552
10 H THR 5 HN THR 5 67.679 -21.019 -7.545
11 HA THR 5 HA THR 5 65.652 -20.843 -8.538
12 HB THR 5 HB THR 5 63.671 -21.091 -7.286
13 HG1 THR 5 HG1 THR 5 63.623 -20.631 -5.027
14 1HG2 THR 5 1HG2 THR 5 64.685 -22.469 -5.150
15 2HG2 THR 5 2HG2 THR 5 65.987 -22.562 -6.336
16 3HG2 THR 5 3HG2 THR 5 64.370 -23.128 -6.756
17 H THR 6 HN THR 6 67.334 -18.437 -7.640
18 HA THR 6 HA THR 6 65.258 -16.368 -7.821
19 HB THR 6 HB THR 6 66.969 -14.808 -7.026
20 HG1 THR 6 HG1 THR 6 68.732 -16.968 -6.633
21 1HG2 THR 6 1HG2 THR 6 65.696 -16.046 -5.321
22 2HG2 THR 6 2HG2 THR 6 67.317 -15.603 -4.788
23 3HG2 THR 6 3HG2 THR 6 66.975 -17.260 -5.284
24 H SER 7 HN SER 7 64.974 -15.361 -9.707
25 HA SER 7 HA SER 7 67.130 -15.522 -11.708
26 1HB SER 7 HB2 SER 7 64.804 -16.612 -12.130
27 2HB SER 7 HB1 SER 7 64.265 -14.957 -12.411
28 HG SER 7 HG SER 7 65.430 -16.530 -14.131
29 H SER 8 HN SER 8 64.315 -13.436 -11.021
30 HA SER 8 HA SER 8 66.008 -11.117 -11.678
31 1HB SER 8 HB2 SER 8 63.050 -10.821 -11.609
32 2HB SER 8 HB1 SER 8 64.231 -10.096 -12.696
33 HG SER 8 HG SER 8 62.910 -12.534 -12.870
34 H ARG 9 HN ARG 9 62.971 -11.485 -9.846
35 HA ARG 9 HA ARG 9 62.333 -10.727 -7.797
36 1HB ARG 9 HB2 ARG 9 64.924 -11.878 -7.438
37 2HB ARG 9 HB1 ARG 9 64.818 -10.444 -6.428
38 1HG ARG 9 HG2 ARG 9 62.421 -11.661 -5.939
39 2HG ARG 9 HG1 ARG 9 63.503 -13.038 -6.157
40 1HD ARG 9 HD2 ARG 9 64.599 -10.883 -4.502
41 2HD ARG 9 HD1 ARG 9 63.167 -11.655 -3.827
42 HE ARG 9 HE ARG 9 64.478 -13.807 -4.256
43 1HH1 ARG 9 1HH1 ARG 9 65.963 -10.760 -3.385
44 2HH1 ARG 9 2HH1 ARG 9 67.336 -11.507 -2.642
45 1HH2 ARG 9 1HH2 ARG 9 66.282 -14.775 -3.268
46 2HH2 ARG 9 2HH2 ARG 9 67.516 -13.779 -2.574
47 H TYR 10 HN TYR 10 63.454 -9.041 -5.963
48 HA TYR 10 HA TYR 10 63.310 -6.513 -7.363
49 1HB TYR 10 HB2 TYR 10 62.973 -7.508 -4.600
50 2HB TYR 10 HB1 TYR 10 63.569 -5.864 -4.760
51 HD1 TYR 10 HD1 TYR 10 61.904 -4.260 -4.589
52 HD2 TYR 10 HD2 TYR 10 61.017 -7.971 -6.468
53 HE1 TYR 10 HE1 TYR 10 59.619 -3.477 -5.035
54 HE2 TYR 10 HE2 TYR 10 58.720 -7.200 -6.916
55 HH TYR 10 HH TYR 10 57.540 -4.977 -7.181
56 H LYS 11 HN LYS 11 64.812 -4.929 -5.634
57 HA LYS 11 HA LYS 11 67.360 -5.175 -6.793
58 1HB LYS 11 HB2 LYS 11 66.633 -3.348 -4.524
59 2HB LYS 11 HB1 LYS 11 67.860 -3.107 -5.762
60 1HG LYS 11 HG2 LYS 11 65.793 -3.249 -7.382
61 2HG LYS 11 HG1 LYS 11 64.909 -2.775 -5.923
62 1HD LYS 11 HD2 LYS 11 65.700 -0.680 -5.987
63 2HD LYS 11 HD1 LYS 11 67.338 -1.211 -6.366
64 1HE LYS 11 HE2 LYS 11 66.395 -1.681 -8.720
65 2HE LYS 11 HE1 LYS 11 65.056 -0.647 -8.224
66 1HZ LYS 11 HZ1 LYS 11 66.935 0.484 -9.417
67 2HZ LYS 11 HZ2 LYS 11 67.885 0.211 -8.046
68 3HZ LYS 11 HZ3 LYS 11 66.499 1.174 -7.935
69 H THR 12 HN THR 12 69.081 -4.321 -4.832
70 HA THR 12 HA THR 12 69.211 -6.595 -2.964
71 HB THR 12 HB THR 12 70.735 -7.120 -4.705
72 HG1 THR 12 HG1 THR 12 72.839 -6.474 -3.463
73 1HG2 THR 12 1HG2 THR 12 71.072 -4.298 -4.926
74 2HG2 THR 12 2HG2 THR 12 71.583 -5.574 -6.030
75 3HG2 THR 12 3HG2 THR 12 72.646 -5.065 -4.719
76 H GLU 13 HN GLU 13 68.277 -3.970 -2.343
77 HA GLU 13 HA GLU 13 70.377 -2.998 -0.599
78 1HB GLU 13 HB2 GLU 13 68.550 -1.654 -2.420
79 2HB GLU 13 HB1 GLU 13 68.588 -0.958 -0.820
80 1HG GLU 13 HG2 GLU 13 70.754 -0.252 -1.012
81 2HG GLU 13 HG1 GLU 13 71.166 -1.515 -2.170
82 H LEU 14 HN LEU 14 69.056 -1.421 1.175
83 HA LEU 14 HA LEU 14 66.702 -2.763 2.183
84 1HB LEU 14 HB2 LEU 14 67.849 -3.074 4.463
85 2HB LEU 14 HB1 LEU 14 68.114 -4.275 3.210
86 HG LEU 14 HG LEU 14 70.136 -3.560 4.585
87 1HD1 LEU 14 1HD1 LEU 14 71.294 -4.441 2.938
88 2HD1 LEU 14 2HD1 LEU 14 71.077 -3.001 1.952
89 3HD1 LEU 14 3HD1 LEU 14 69.877 -4.280 1.906
90 1HD2 LEU 14 1HD2 LEU 14 71.218 -1.511 4.065
91 2HD2 LEU 14 2HD2 LEU 14 69.549 -1.135 4.491
92 3HD2 LEU 14 3HD2 LEU 14 70.047 -1.143 2.802
93 H CYS 15 HN CYS 15 65.639 -1.703 3.840
94 HA CYS 15 HA CYS 15 66.003 1.104 3.953
95 1HB CYS 15 HB2 CYS 15 63.760 -0.055 3.936
96 2HB CYS 15 HB1 CYS 15 64.100 -0.635 5.561
97 H ARG 16 HN ARG 16 68.072 1.400 4.970
98 HA ARG 16 HA ARG 16 68.654 0.178 7.477
99 1HB ARG 16 HB2 ARG 16 70.058 1.901 5.524
100 2HB ARG 16 HB1 ARG 16 70.502 2.168 7.205
101 1HG ARG 16 HG2 ARG 16 70.993 -0.214 7.475
102 2HG ARG 16 HG1 ARG 16 70.619 -0.464 5.774
103 1HD ARG 16 HD2 ARG 16 73.062 -0.222 6.331
104 2HD ARG 16 HD1 ARG 16 72.455 0.866 5.081
105 HE ARG 16 HE ARG 16 72.372 1.997 7.715
106 1HH1 ARG 16 1HH1 ARG 16 74.369 1.471 4.905
107 2HH1 ARG 16 2HH1 ARG 16 75.424 2.798 5.255
108 1HH2 ARG 16 1HH2 ARG 16 73.747 3.739 8.174
109 2HH2 ARG 16 2HH2 ARG 16 75.070 4.089 7.115
110 H THR 17 HN THR 17 69.440 3.539 7.244
111 HA THR 17 HA THR 17 68.276 4.134 9.760
112 HB THR 17 HB THR 17 70.384 5.170 8.942
113 HG1 THR 17 HG1 THR 17 69.854 7.275 9.634
114 1HG2 THR 17 1HG2 THR 17 70.167 7.139 7.421
115 2HG2 THR 17 2HG2 THR 17 68.552 6.563 7.008
116 3HG2 THR 17 3HG2 THR 17 69.963 5.570 6.642
117 H TYR 18 HN TYR 18 67.334 4.329 6.519
118 HA TYR 18 HA TYR 18 65.554 6.357 6.264
119 1HB TYR 18 HB2 TYR 18 65.665 3.540 5.220
120 2HB TYR 18 HB1 TYR 18 64.452 4.677 4.672
121 HD1 TYR 18 HD1 TYR 18 64.998 5.082 2.470
122 HD2 TYR 18 HD2 TYR 18 68.085 5.280 5.354
123 HE1 TYR 18 HE1 TYR 18 66.495 6.036 0.792
124 HE2 TYR 18 HE2 TYR 18 69.616 6.166 3.677
125 HH TYR 18 HH TYR 18 69.505 7.387 1.562
126 H SER 19 HN SER 19 64.903 3.054 7.386
127 HA SER 19 HA SER 19 62.227 3.041 7.773
128 1HB SER 19 HB2 SER 19 62.658 1.415 9.639
129 2HB SER 19 HB1 SER 19 63.521 1.058 8.143
130 HG SER 19 HG SER 19 64.915 0.902 9.924
131 H GLU 20 HN GLU 20 64.370 5.051 9.468
132 HA GLU 20 HA GLU 20 62.512 5.416 11.676
133 1HB GLU 20 HB2 GLU 20 65.366 5.585 11.413
134 2HB GLU 20 HB1 GLU 20 64.733 7.114 12.017
135 1HG GLU 20 HG2 GLU 20 63.329 5.285 13.466
136 2HG GLU 20 HG1 GLU 20 64.911 4.510 13.308
137 H SER 21 HN SER 21 61.815 6.238 9.116
138 HA SER 21 HA SER 21 60.683 7.946 8.119
139 1HB SER 21 HB2 SER 21 61.092 9.066 10.868
140 2HB SER 21 HB1 SER 21 60.444 10.101 9.597
141 HG SER 21 HG SER 21 58.975 8.703 11.007
142 H GLY 22 HN GLY 22 63.766 7.759 8.209
143 1HA GLY 22 HA2 GLY 22 64.817 10.333 7.950
144 2HA GLY 22 HA1 GLY 22 65.548 8.874 7.306
145 H ARG 23 HN ARG 23 65.048 8.236 5.233
146 HA ARG 23 HA ARG 23 64.032 10.363 3.489
147 1HB ARG 23 HB2 ARG 23 66.446 9.758 3.288
148 2HB ARG 23 HB1 ARG 23 65.932 8.169 2.780
149 1HG ARG 23 HG2 ARG 23 64.593 10.066 1.165
150 2HG ARG 23 HG1 ARG 23 66.308 10.479 1.205
151 1HD ARG 23 HD2 ARG 23 66.901 8.234 0.498
152 2HD ARG 23 HD1 ARG 23 65.209 7.734 0.552
153 HE ARG 23 HE ARG 23 64.883 8.738 -1.477
154 1HH1 ARG 23 1HH1 ARG 23 67.928 9.808 -0.151
155 2HH1 ARG 23 2HH1 ARG 23 68.381 10.687 -1.575
156 1HH2 ARG 23 1HH2 ARG 23 65.471 9.893 -3.344
157 2HH2 ARG 23 2HH2 ARG 23 66.982 10.737 -3.387
158 H CYS 24 HN CYS 24 64.551 6.943 3.385
159 HA CYS 24 HA CYS 24 63.382 5.182 2.587
160 1HB CYS 24 HB2 CYS 24 61.227 6.973 3.526
161 2HB CYS 24 HB1 CYS 24 60.757 5.643 2.477
162 H ARG 25 HN ARG 25 64.433 5.547 0.608
163 HA ARG 25 HA ARG 25 63.699 7.141 -1.483
164 1HB ARG 25 HB2 ARG 25 65.749 5.848 -1.405
165 2HB ARG 25 HB1 ARG 25 64.842 4.363 -1.540
166 1HG ARG 25 HG2 ARG 25 65.355 4.498 -3.708
167 2HG ARG 25 HG1 ARG 25 64.039 5.680 -3.783
168 1HD ARG 25 HD2 ARG 25 65.568 7.114 -4.564
169 2HD ARG 25 HD1 ARG 25 66.198 7.168 -2.918
170 HE ARG 25 HE ARG 25 67.270 5.005 -4.475
171 1HH1 ARG 25 1HH1 ARG 25 67.602 8.387 -3.679
172 2HH1 ARG 25 2HH1 ARG 25 69.281 8.451 -4.100
173 1HH2 ARG 25 1HH2 ARG 25 69.485 5.090 -5.027
174 2HH2 ARG 25 2HH2 ARG 25 70.348 6.583 -4.864
175 H TYR 26 HN TYR 26 62.009 4.438 -0.301
176 HA TYR 26 HA TYR 26 59.961 4.710 -2.388
177 1HB TYR 26 HB2 TYR 26 61.062 2.110 -1.291
178 2HB TYR 26 HB1 TYR 26 59.583 2.225 -2.232
179 HD1 TYR 26 HD1 TYR 26 60.728 4.339 -4.209
180 HD2 TYR 26 HD2 TYR 26 62.178 0.608 -2.756
181 HE1 TYR 26 HE1 TYR 26 62.021 4.040 -6.279
182 HE2 TYR 26 HE2 TYR 26 63.482 0.310 -4.818
183 HH TYR 26 HH TYR 26 62.977 1.698 -7.536
184 H GLY 27 HN GLY 27 59.845 6.030 -0.016
185 1HA GLY 27 HA2 GLY 27 58.947 5.010 2.293
186 2HA GLY 27 HA1 GLY 27 58.211 6.433 1.580
187 H ALA 28 HN ALA 28 57.558 3.588 2.931
188 HA ALA 28 HA ALA 28 55.587 2.509 3.272
189 1HB ALA 28 HB1 ALA 28 54.403 3.975 0.934
190 2HB ALA 28 HB2 ALA 28 54.467 4.636 2.566
191 3HB ALA 28 HB3 ALA 28 53.552 3.164 2.247
192 H LYS 29 HN LYS 29 57.028 2.658 0.165
193 HA LYS 29 HA LYS 29 56.015 0.027 -0.481
194 1HB LYS 29 HB2 LYS 29 55.546 2.121 -1.952
195 2HB LYS 29 HB1 LYS 29 57.206 1.889 -2.480
196 1HG LYS 29 HG2 LYS 29 56.744 -0.082 -3.532
197 2HG LYS 29 HG1 LYS 29 55.327 -0.395 -2.528
198 1HD LYS 29 HD2 LYS 29 54.808 0.228 -4.902
199 2HD LYS 29 HD1 LYS 29 54.045 1.251 -3.683
200 1HE LYS 29 HE2 LYS 29 56.281 2.659 -4.046
201 2HE LYS 29 HE1 LYS 29 56.195 1.884 -5.628
202 1HZ LYS 29 HZ1 LYS 29 54.946 4.157 -5.021
203 2HZ LYS 29 HZ2 LYS 29 53.716 3.048 -4.675
204 3HZ LYS 29 HZ3 LYS 29 54.408 3.088 -6.218
205 H CYS 30 HN CYS 30 58.607 1.331 0.877
206 HA CYS 30 HA CYS 30 60.690 0.449 -0.809
207 1HB CYS 30 HB2 CYS 30 62.177 0.779 1.149
208 2HB CYS 30 HB1 CYS 30 61.200 2.180 0.697
209 H GLN 31 HN GLN 31 61.737 -1.284 -0.998
210 HA GLN 31 HA GLN 31 61.394 -3.504 0.859
211 1HB GLN 31 HB2 GLN 31 60.439 -3.340 -1.792
212 2HB GLN 31 HB1 GLN 31 61.750 -4.514 -1.771
213 1HG GLN 31 HG2 GLN 31 60.336 -5.263 0.407
214 2HG GLN 31 HG1 GLN 31 59.060 -4.644 -0.642
215 1HE2 GLN 31 1HE2 GLN 31 58.903 -5.541 -2.797
216 2HE2 GLN 31 2HE2 GLN 31 59.398 -7.182 -3.077
217 H PHE 32 HN PHE 32 63.394 -1.554 -1.077
218 HA PHE 32 HA PHE 32 65.748 -2.907 -0.124
219 1HB PHE 32 HB2 PHE 32 65.050 -2.830 -3.040
220 2HB PHE 32 HB1 PHE 32 66.685 -3.103 -2.454
221 HD1 PHE 32 HD1 PHE 32 63.355 -4.469 -2.827
222 HD2 PHE 32 HD2 PHE 32 67.266 -5.151 -1.319
223 HE1 PHE 32 HE1 PHE 32 62.871 -6.887 -2.691
224 HE2 PHE 32 HE2 PHE 32 66.796 -7.571 -1.166
225 HZ PHE 32 HZ PHE 32 64.594 -8.438 -1.860
226 H ALA 33 HN ALA 33 65.441 -0.929 -3.034
227 HA ALA 33 HA ALA 33 67.581 0.656 -2.761
228 1HB ALA 33 HB1 ALA 33 66.777 1.771 -4.517
229 2HB ALA 33 HB2 ALA 33 65.304 2.238 -3.667
230 3HB ALA 33 HB3 ALA 33 65.418 0.651 -4.426
231 H HIS 34 HN HIS 34 68.319 1.681 -1.058
232 HA HIS 34 HA HIS 34 66.977 3.928 0.094
233 1HB HIS 34 HB2 HIS 34 66.787 1.262 1.360
234 2HB HIS 34 HB1 HIS 34 67.275 2.552 2.437
235 HD1 HIS 34 HD1 HIS 34 64.571 3.125 -0.173
236 HD2 HIS 34 HD2 HIS 34 65.142 2.549 3.863
237 HE1 HIS 34 HE1 HIS 34 62.342 3.600 0.962
238 H GLY 35 HN GLY 35 68.546 3.438 2.715
239 1HA GLY 35 HA2 GLY 35 70.983 4.654 1.994
240 2HA GLY 35 HA1 GLY 35 70.553 3.989 3.578
241 H LEU 36 HN LEU 36 72.254 3.426 0.648
242 HA LEU 36 HA LEU 36 73.698 1.785 0.003
243 1HB LEU 36 HB2 LEU 36 74.486 2.546 2.371
244 2HB LEU 36 HB1 LEU 36 73.867 0.993 2.892
245 HG LEU 36 HG LEU 36 75.761 0.968 0.611
246 1HD1 LEU 36 1HD1 LEU 36 77.669 1.438 1.823
247 2HD1 LEU 36 2HD1 LEU 36 76.870 1.184 3.376
248 3HD1 LEU 36 3HD1 LEU 36 76.540 2.644 2.442
249 1HD2 LEU 36 1HD2 LEU 36 75.620 -1.196 1.129
250 2HD2 LEU 36 2HD2 LEU 36 74.688 -0.834 2.585
251 3HD2 LEU 36 3HD2 LEU 36 76.450 -0.839 2.644
252 H GLY 37 HN GLY 37 74.074 -0.622 0.130
253 1HA GLY 37 HA2 GLY 37 72.228 -2.341 1.299
254 2HA GLY 37 HA1 GLY 37 71.728 -1.992 -0.344
255 H GLU 38 HN GLU 38 72.713 -2.954 -1.989
256 HA GLU 38 HA GLU 38 73.859 -4.579 -3.066
257 1HB GLU 38 HB2 GLU 38 75.978 -3.396 -1.310
258 2HB GLU 38 HB1 GLU 38 76.334 -4.557 -2.581
259 1HG GLU 38 HG2 GLU 38 75.172 -2.947 -4.162
260 2HG GLU 38 HG1 GLU 38 75.245 -1.777 -2.846
261 H LEU 39 HN LEU 39 72.592 -5.390 -0.381
262 HA LEU 39 HA LEU 39 74.020 -7.094 1.143
263 1HB LEU 39 HB2 LEU 39 71.339 -7.721 -0.073
264 2HB LEU 39 HB1 LEU 39 72.045 -8.594 1.272
265 HG LEU 39 HG LEU 39 71.755 -5.666 1.574
266 1HD1 LEU 39 1HD1 LEU 39 69.625 -6.063 0.644
267 2HD1 LEU 39 2HD1 LEU 39 69.387 -6.079 2.392
268 3HD1 LEU 39 3HD1 LEU 39 69.452 -7.596 1.497
269 1HD2 LEU 39 1HD2 LEU 39 71.600 -6.169 3.834
270 2HD2 LEU 39 2HD2 LEU 39 72.696 -7.416 3.241
271 3HD2 LEU 39 3HD2 LEU 39 70.999 -7.799 3.532
272 H ARG 40 HN ARG 40 72.862 -7.795 -2.052
273 HA ARG 40 HA ARG 40 74.357 -10.307 -2.129
274 1HB ARG 40 HB2 ARG 40 73.003 -10.980 -3.909
275 2HB ARG 40 HB1 ARG 40 71.911 -10.116 -2.837
276 1HG ARG 40 HG2 ARG 40 71.293 -8.894 -4.564
277 2HG ARG 40 HG1 ARG 40 72.906 -8.180 -4.573
278 1HD ARG 40 HD2 ARG 40 73.315 -9.118 -6.540
279 2HD ARG 40 HD1 ARG 40 73.059 -10.713 -5.839
280 HE ARG 40 HE ARG 40 71.077 -9.096 -7.267
281 1HH1 ARG 40 1HH1 ARG 40 71.935 -12.117 -5.723
282 2HH1 ARG 40 2HH1 ARG 40 70.553 -12.957 -6.337
283 1HH2 ARG 40 1HH2 ARG 40 69.265 -10.212 -8.064
284 2HH2 ARG 40 2HH2 ARG 40 69.040 -11.880 -7.658
285 H GLN 41 HN GLN 41 75.820 -7.837 -2.189
286 HA GLN 41 HA GLN 41 77.433 -8.321 -4.471
287 1HB GLN 41 HB2 GLN 41 75.879 -5.742 -4.298
288 2HB GLN 41 HB1 GLN 41 77.316 -5.934 -5.289
289 1HG GLN 41 HG2 GLN 41 76.149 -7.777 -6.496
290 2HG GLN 41 HG1 GLN 41 74.693 -7.370 -5.586
291 1HE2 GLN 41 1HE2 GLN 41 74.749 -4.664 -5.554
292 2HE2 GLN 41 2HE2 GLN 41 74.604 -4.043 -7.161
293 H ALA 42 HN ALA 42 78.313 -8.669 -2.083
294 HA ALA 42 HA ALA 42 79.151 -6.687 -0.420
295 1HB ALA 42 HB1 ALA 42 81.278 -8.613 -0.800
296 2HB ALA 42 HB2 ALA 42 79.693 -9.383 -0.713
297 3HB ALA 42 HB3 ALA 42 80.237 -8.336 0.599
298 H ASN 43 HN ASN 43 80.812 -5.243 -0.270
299 HA ASN 43 HA ASN 43 82.495 -4.906 -2.668
300 1HB ASN 43 HB2 ASN 43 80.848 -2.971 -1.156
301 2HB ASN 43 HB1 ASN 43 82.455 -2.408 -1.602
302 1HD2 ASN 43 1HD2 ASN 43 80.016 -4.429 -3.196
303 2HD2 ASN 43 2HD2 ASN 43 79.963 -3.509 -4.658
Start of MODEL 6
1 H MET 4 HT1 MET 4 70.808 -8.980 -15.588
2 HA MET 4 HA MET 4 72.529 -8.957 -14.295
3 1HB MET 4 HB2 MET 4 74.123 -7.062 -14.307
4 2HB MET 4 HB1 MET 4 73.693 -7.595 -15.926
5 1HG MET 4 HG2 MET 4 71.946 -5.491 -14.972
6 2HG MET 4 HG1 MET 4 73.641 -5.008 -14.962
7 1HE MET 4 HE1 MET 4 71.270 -3.703 -17.667
8 2HE MET 4 HE2 MET 4 70.694 -4.777 -16.390
9 3HE MET 4 HE3 MET 4 70.651 -5.304 -18.072
10 H THR 5 HN THR 5 69.988 -8.330 -13.268
11 HA THR 5 HA THR 5 70.766 -7.183 -10.732
12 HB THR 5 HB THR 5 68.505 -5.763 -10.940
13 HG1 THR 5 HG1 THR 5 68.453 -4.830 -13.036
14 1HG2 THR 5 1HG2 THR 5 69.770 -3.903 -10.908
15 2HG2 THR 5 2HG2 THR 5 70.746 -4.410 -12.287
16 3HG2 THR 5 3HG2 THR 5 71.074 -5.070 -10.686
17 H THR 6 HN THR 6 70.209 -9.743 -11.167
18 HA THR 6 HA THR 6 68.896 -11.512 -10.619
19 HB THR 6 HB THR 6 67.846 -11.412 -8.522
20 HG1 THR 6 HG1 THR 6 67.520 -8.630 -8.959
21 1HG2 THR 6 1HG2 THR 6 70.334 -10.299 -8.765
22 2HG2 THR 6 2HG2 THR 6 69.551 -10.771 -7.259
23 3HG2 THR 6 3HG2 THR 6 69.454 -9.101 -7.816
24 H SER 7 HN SER 7 67.614 -12.060 -12.281
25 HA SER 7 HA SER 7 65.497 -10.552 -13.315
26 1HB SER 7 HB2 SER 7 64.714 -12.909 -14.147
27 2HB SER 7 HB1 SER 7 66.231 -12.242 -14.750
28 HG SER 7 HG SER 7 66.316 -13.788 -12.426
29 H SER 8 HN SER 8 63.348 -10.419 -12.853
30 HA SER 8 HA SER 8 61.375 -10.658 -11.736
31 1HB SER 8 HB2 SER 8 62.225 -13.078 -10.236
32 2HB SER 8 HB1 SER 8 60.716 -12.752 -11.087
33 HG SER 8 HG SER 8 62.088 -12.928 -13.053
34 H ARG 9 HN ARG 9 63.828 -11.963 -9.496
35 HA ARG 9 HA ARG 9 62.877 -11.035 -7.121
36 1HB ARG 9 HB2 ARG 9 65.223 -12.191 -7.956
37 2HB ARG 9 HB1 ARG 9 65.775 -10.627 -7.376
38 1HG ARG 9 HG2 ARG 9 63.912 -11.879 -5.538
39 2HG ARG 9 HG1 ARG 9 65.325 -12.885 -5.855
40 1HD ARG 9 HD2 ARG 9 66.177 -10.187 -5.493
41 2HD ARG 9 HD1 ARG 9 65.117 -10.629 -4.159
42 HE ARG 9 HE ARG 9 66.611 -12.544 -3.770
43 1HH1 ARG 9 1HH1 ARG 9 67.851 -9.846 -5.626
44 2HH1 ARG 9 2HH1 ARG 9 69.501 -10.192 -5.243
45 1HH2 ARG 9 1HH2 ARG 9 68.782 -12.985 -3.277
46 2HH2 ARG 9 2HH2 ARG 9 70.031 -11.968 -3.915
47 H TYR 10 HN TYR 10 63.555 -9.235 -5.739
48 HA TYR 10 HA TYR 10 63.244 -6.732 -7.117
49 1HB TYR 10 HB2 TYR 10 63.113 -7.741 -4.341
50 2HB TYR 10 HB1 TYR 10 63.564 -6.057 -4.531
51 HD1 TYR 10 HD1 TYR 10 61.771 -4.600 -4.252
52 HD2 TYR 10 HD2 TYR 10 61.137 -8.361 -6.146
53 HE1 TYR 10 HE1 TYR 10 59.412 -4.014 -4.606
54 HE2 TYR 10 HE2 TYR 10 58.766 -7.785 -6.500
55 HH TYR 10 HH TYR 10 57.269 -5.138 -4.976
56 H LYS 11 HN LYS 11 64.696 -5.034 -5.464
57 HA LYS 11 HA LYS 11 67.188 -5.065 -6.749
58 1HB LYS 11 HB2 LYS 11 66.515 -3.347 -4.385
59 2HB LYS 11 HB1 LYS 11 67.583 -2.983 -5.734
60 1HG LYS 11 HG2 LYS 11 65.336 -3.292 -7.109
61 2HG LYS 11 HG1 LYS 11 64.632 -2.824 -5.551
62 1HD LYS 11 HD2 LYS 11 64.991 -0.715 -6.206
63 2HD LYS 11 HD1 LYS 11 66.692 -1.026 -5.854
64 1HE LYS 11 HE2 LYS 11 65.386 -1.522 -8.523
65 2HE LYS 11 HE1 LYS 11 66.270 -0.052 -8.108
66 1HZ LYS 11 HZ1 LYS 11 68.072 -1.869 -7.454
67 2HZ LYS 11 HZ2 LYS 11 67.963 -1.214 -9.010
68 3HZ LYS 11 HZ3 LYS 11 67.275 -2.724 -8.677
69 H THR 12 HN THR 12 68.920 -4.101 -4.839
70 HA THR 12 HA THR 12 69.360 -6.418 -3.081
71 HB THR 12 HB THR 12 70.832 -6.627 -4.970
72 HG1 THR 12 HG1 THR 12 72.820 -5.732 -3.435
73 1HG2 THR 12 1HG2 THR 12 72.108 -3.996 -4.344
74 2HG2 THR 12 2HG2 THR 12 70.792 -4.131 -5.512
75 3HG2 THR 12 3HG2 THR 12 72.296 -5.011 -5.775
76 H GLU 13 HN GLU 13 68.187 -3.912 -2.319
77 HA GLU 13 HA GLU 13 70.242 -2.858 -0.571
78 1HB GLU 13 HB2 GLU 13 68.380 -1.538 -2.357
79 2HB GLU 13 HB1 GLU 13 68.307 -0.933 -0.719
80 1HG GLU 13 HG2 GLU 13 70.297 0.073 -0.848
81 2HG GLU 13 HG1 GLU 13 71.008 -1.258 -1.759
82 H LEU 14 HN LEU 14 68.734 -1.374 1.163
83 HA LEU 14 HA LEU 14 66.480 -2.836 2.134
84 1HB LEU 14 HB2 LEU 14 67.727 -3.218 4.403
85 2HB LEU 14 HB1 LEU 14 67.783 -4.407 3.120
86 HG LEU 14 HG LEU 14 69.943 -3.720 4.449
87 1HD1 LEU 14 1HD1 LEU 14 71.113 -3.930 2.012
88 2HD1 LEU 14 2HD1 LEU 14 69.513 -4.601 1.704
89 3HD1 LEU 14 3HD1 LEU 14 70.521 -5.282 2.975
90 1HD2 LEU 14 1HD2 LEU 14 69.434 -1.278 3.494
91 2HD2 LEU 14 2HD2 LEU 14 70.471 -1.884 2.222
92 3HD2 LEU 14 3HD2 LEU 14 71.040 -1.856 3.887
93 H CYS 15 HN CYS 15 65.307 -1.747 3.688
94 HA CYS 15 HA CYS 15 65.732 1.008 3.902
95 1HB CYS 15 HB2 CYS 15 63.492 -0.187 4.026
96 2HB CYS 15 HB1 CYS 15 63.921 -0.678 5.661
97 H ARG 16 HN ARG 16 67.893 1.209 4.748
98 HA ARG 16 HA ARG 16 68.535 0.090 7.307
99 1HB ARG 16 HB2 ARG 16 69.975 1.401 5.128
100 2HB ARG 16 HB1 ARG 16 70.481 1.976 6.707
101 1HG ARG 16 HG2 ARG 16 71.662 -0.068 5.617
102 2HG ARG 16 HG1 ARG 16 71.374 -0.001 7.352
103 1HD ARG 16 HD2 ARG 16 69.571 -1.504 7.218
104 2HD ARG 16 HD1 ARG 16 69.450 -1.330 5.469
105 HE ARG 16 HE ARG 16 71.819 -2.391 5.575
106 1HH1 ARG 16 1HH1 ARG 16 69.092 -3.216 7.605
107 2HH1 ARG 16 2HH1 ARG 16 69.614 -4.849 7.840
108 1HH2 ARG 16 1HH2 ARG 16 72.487 -4.535 5.882
109 2HH2 ARG 16 2HH2 ARG 16 71.536 -5.599 6.864
110 H THR 17 HN THR 17 69.599 3.340 6.815
111 HA THR 17 HA THR 17 68.651 4.175 9.339
112 HB THR 17 HB THR 17 70.708 5.108 8.453
113 HG1 THR 17 HG1 THR 17 68.773 7.172 8.452
114 1HG2 THR 17 1HG2 THR 17 70.947 6.329 6.520
115 2HG2 THR 17 2HG2 THR 17 69.225 6.697 6.412
116 3HG2 THR 17 3HG2 THR 17 69.810 5.079 6.021
117 H TYR 18 HN TYR 18 67.486 4.278 6.157
118 HA TYR 18 HA TYR 18 65.749 6.362 5.988
119 1HB TYR 18 HB2 TYR 18 65.704 3.522 4.997
120 2HB TYR 18 HB1 TYR 18 64.512 4.699 4.492
121 HD1 TYR 18 HD1 TYR 18 64.943 4.999 2.258
122 HD2 TYR 18 HD2 TYR 18 68.210 5.189 4.949
123 HE1 TYR 18 HE1 TYR 18 66.360 5.858 0.461
124 HE2 TYR 18 HE2 TYR 18 69.659 5.981 3.154
125 HH TYR 18 HH TYR 18 69.786 6.612 1.022
126 H SER 19 HN SER 19 65.061 3.070 7.135
127 HA SER 19 HA SER 19 62.429 3.197 7.765
128 1HB SER 19 HB2 SER 19 64.568 1.455 8.307
129 2HB SER 19 HB1 SER 19 63.776 1.753 9.854
130 HG SER 19 HG SER 19 62.501 0.229 9.103
131 H GLU 20 HN GLU 20 64.796 5.084 9.255
132 HA GLU 20 HA GLU 20 63.272 5.433 11.706
133 1HB GLU 20 HB2 GLU 20 66.013 5.517 11.104
134 2HB GLU 20 HB1 GLU 20 65.559 7.175 11.487
135 1HG GLU 20 HG2 GLU 20 64.408 6.212 13.523
136 2HG GLU 20 HG1 GLU 20 65.304 4.728 13.182
137 H SER 21 HN SER 21 62.263 6.267 9.173
138 HA SER 21 HA SER 21 60.993 7.963 8.330
139 1HB SER 21 HB2 SER 21 61.771 9.671 10.693
140 2HB SER 21 HB1 SER 21 60.293 9.736 9.733
141 HG SER 21 HG SER 21 60.251 8.648 11.894
142 H GLY 22 HN GLY 22 64.005 7.737 8.037
143 1HA GLY 22 HA2 GLY 22 65.033 10.339 7.719
144 2HA GLY 22 HA1 GLY 22 65.749 8.866 7.091
145 H ARG 23 HN ARG 23 65.281 8.213 5.055
146 HA ARG 23 HA ARG 23 64.119 10.240 3.295
147 1HB ARG 23 HB2 ARG 23 66.522 9.551 3.020
148 2HB ARG 23 HB1 ARG 23 65.919 7.984 2.541
149 1HG ARG 23 HG2 ARG 23 64.902 10.353 1.090
150 2HG ARG 23 HG1 ARG 23 66.553 9.819 0.772
151 1HD ARG 23 HD2 ARG 23 65.820 7.673 0.050
152 2HD ARG 23 HD1 ARG 23 64.198 7.953 0.672
153 HE ARG 23 HE ARG 23 65.299 8.928 -1.817
154 1HH1 ARG 23 1HH1 ARG 23 62.715 9.153 0.526
155 2HH1 ARG 23 2HH1 ARG 23 61.590 9.830 -0.599
156 1HH2 ARG 23 1HH2 ARG 23 63.816 9.817 -3.294
157 2HH2 ARG 23 2HH2 ARG 23 62.213 10.209 -2.767
158 H CYS 24 HN CYS 24 64.582 6.809 3.245
159 HA CYS 24 HA CYS 24 63.321 5.055 2.596
160 1HB CYS 24 HB2 CYS 24 61.299 6.924 3.637
161 2HB CYS 24 HB1 CYS 24 60.708 5.656 2.586
162 H ARG 25 HN ARG 25 64.263 5.368 0.505
163 HA ARG 25 HA ARG 25 63.410 6.945 -1.546
164 1HB ARG 25 HB2 ARG 25 65.410 5.608 -1.692
165 2HB ARG 25 HB1 ARG 25 64.476 4.139 -1.617
166 1HG ARG 25 HG2 ARG 25 65.074 4.343 -3.864
167 2HG ARG 25 HG1 ARG 25 63.391 4.890 -3.801
168 1HD ARG 25 HD2 ARG 25 64.093 7.194 -3.819
169 2HD ARG 25 HD1 ARG 25 65.788 6.720 -3.701
170 HE ARG 25 HE ARG 25 64.940 5.506 -5.972
171 1HH1 ARG 25 1HH1 ARG 25 64.842 8.792 -4.807
172 2HH1 ARG 25 2HH1 ARG 25 64.935 9.491 -6.388
173 1HH2 ARG 25 1HH2 ARG 25 65.062 6.423 -8.058
174 2HH2 ARG 25 2HH2 ARG 25 65.059 8.145 -8.235
175 H TYR 26 HN TYR 26 61.721 4.366 -0.179
176 HA TYR 26 HA TYR 26 59.465 4.717 -1.987
177 1HB TYR 26 HB2 TYR 26 60.453 2.004 -1.086
178 2HB TYR 26 HB1 TYR 26 59.042 2.293 -2.084
179 HD1 TYR 26 HD1 TYR 26 60.338 4.283 -4.007
180 HD2 TYR 26 HD2 TYR 26 61.657 0.555 -2.435
181 HE1 TYR 26 HE1 TYR 26 61.712 3.925 -6.018
182 HE2 TYR 26 HE2 TYR 26 63.034 0.195 -4.429
183 HH TYR 26 HH TYR 26 62.660 1.672 -7.224
184 H GLY 27 HN GLY 27 59.536 6.026 0.214
185 1HA GLY 27 HA2 GLY 27 59.208 5.170 2.714
186 2HA GLY 27 HA1 GLY 27 58.181 6.426 2.066
187 H ALA 28 HN ALA 28 56.661 4.623 0.308
188 HA ALA 28 HA ALA 28 55.175 3.212 2.418
189 1HB ALA 28 HB1 ALA 28 53.518 4.552 1.754
190 2HB ALA 28 HB2 ALA 28 53.392 3.467 0.369
191 3HB ALA 28 HB3 ALA 28 54.326 4.958 0.240
192 H LYS 29 HN LYS 29 56.903 2.784 -0.458
193 HA LYS 29 HA LYS 29 55.913 0.079 -0.760
194 1HB LYS 29 HB2 LYS 29 55.519 1.957 -2.540
195 2HB LYS 29 HB1 LYS 29 57.161 1.547 -3.006
196 1HG LYS 29 HG2 LYS 29 56.463 -0.220 -4.081
197 2HG LYS 29 HG1 LYS 29 55.684 -0.834 -2.628
198 1HD LYS 29 HD2 LYS 29 54.391 1.275 -4.327
199 2HD LYS 29 HD1 LYS 29 54.204 -0.442 -4.691
200 1HE LYS 29 HE2 LYS 29 53.689 0.495 -1.911
201 2HE LYS 29 HE1 LYS 29 52.482 0.835 -3.151
202 1HZ LYS 29 HZ1 LYS 29 52.445 -1.380 -1.765
203 2HZ LYS 29 HZ2 LYS 29 53.519 -1.893 -2.967
204 3HZ LYS 29 HZ3 LYS 29 51.975 -1.353 -3.391
205 H CYS 30 HN CYS 30 58.266 1.170 0.797
206 HA CYS 30 HA CYS 30 60.506 0.351 -0.800
207 1HB CYS 30 HB2 CYS 30 61.935 0.860 1.073
208 2HB CYS 30 HB1 CYS 30 60.826 2.185 0.700
209 H GLN 31 HN GLN 31 61.512 -1.401 -0.926
210 HA GLN 31 HA GLN 31 61.256 -3.488 1.087
211 1HB GLN 31 HB2 GLN 31 60.165 -3.562 -1.514
212 2HB GLN 31 HB1 GLN 31 61.505 -4.699 -1.469
213 1HG GLN 31 HG2 GLN 31 60.326 -5.396 0.799
214 2HG GLN 31 HG1 GLN 31 58.921 -4.735 -0.037
215 1HE2 GLN 31 1HE2 GLN 31 59.219 -5.452 -2.571
216 2HE2 GLN 31 2HE2 GLN 31 59.281 -7.179 -2.742
217 H PHE 32 HN PHE 32 63.160 -1.643 -1.028
218 HA PHE 32 HA PHE 32 65.559 -2.929 -0.106
219 1HB PHE 32 HB2 PHE 32 64.751 -3.002 -2.990
220 2HB PHE 32 HB1 PHE 32 66.423 -3.167 -2.472
221 HD1 PHE 32 HD1 PHE 32 63.139 -4.701 -2.566
222 HD2 PHE 32 HD2 PHE 32 67.185 -5.144 -1.351
223 HE1 PHE 32 HE1 PHE 32 62.795 -7.137 -2.329
224 HE2 PHE 32 HE2 PHE 32 66.857 -7.575 -1.098
225 HZ PHE 32 HZ PHE 32 64.657 -8.574 -1.594
226 H ALA 33 HN ALA 33 65.164 -1.089 -3.100
227 HA ALA 33 HA ALA 33 67.272 0.540 -2.965
228 1HB ALA 33 HB1 ALA 33 64.894 0.548 -4.432
229 2HB ALA 33 HB2 ALA 33 66.364 1.456 -4.766
230 3HB ALA 33 HB3 ALA 33 65.075 2.190 -3.813
231 H HIS 34 HN HIS 34 68.023 1.437 -1.167
232 HA HIS 34 HA HIS 34 66.718 3.751 -0.061
233 1HB HIS 34 HB2 HIS 34 66.532 1.095 1.215
234 2HB HIS 34 HB1 HIS 34 67.078 2.366 2.287
235 HD1 HIS 34 HD1 HIS 34 64.306 2.944 -0.254
236 HD2 HIS 34 HD2 HIS 34 64.988 2.492 3.782
237 HE1 HIS 34 HE1 HIS 34 62.131 3.514 0.939
238 H GLY 35 HN GLY 35 68.433 3.055 2.546
239 1HA GLY 35 HA2 GLY 35 70.771 4.427 1.803
240 2HA GLY 35 HA1 GLY 35 70.454 3.607 3.346
241 H LEU 36 HN LEU 36 72.747 3.121 3.140
242 HA LEU 36 HA LEU 36 74.014 1.586 1.290
243 1HB LEU 36 HB2 LEU 36 74.922 2.531 3.445
244 2HB LEU 36 HB1 LEU 36 74.269 1.121 4.255
245 HG LEU 36 HG LEU 36 76.128 0.753 1.945
246 1HD1 LEU 36 1HD1 LEU 36 76.834 2.304 4.150
247 2HD1 LEU 36 2HD1 LEU 36 77.921 1.556 2.981
248 3HD1 LEU 36 3HD1 LEU 36 77.515 0.707 4.472
249 1HD2 LEU 36 1HD2 LEU 36 76.231 -1.368 2.657
250 2HD2 LEU 36 2HD2 LEU 36 74.761 -0.977 3.552
251 3HD2 LEU 36 3HD2 LEU 36 76.332 -0.900 4.352
252 H GLY 37 HN GLY 37 73.479 -0.234 0.387
253 1HA GLY 37 HA2 GLY 37 72.680 -2.519 1.895
254 2HA GLY 37 HA1 GLY 37 71.422 -1.901 0.846
255 H GLU 38 HN GLU 38 74.476 -3.415 1.043
256 HA GLU 38 HA GLU 38 74.479 -3.884 -1.863
257 1HB GLU 38 HB2 GLU 38 76.746 -4.077 0.127
258 2HB GLU 38 HB1 GLU 38 76.882 -4.328 -1.606
259 1HG GLU 38 HG2 GLU 38 75.643 -1.801 -1.090
260 2HG GLU 38 HG1 GLU 38 77.150 -1.928 -0.184
261 H LEU 39 HN LEU 39 72.761 -5.442 -0.209
262 HA LEU 39 HA LEU 39 73.589 -7.786 0.822
263 1HB LEU 39 HB2 LEU 39 71.310 -7.518 -1.120
264 2HB LEU 39 HB1 LEU 39 71.534 -8.845 0.006
265 HG LEU 39 HG LEU 39 71.439 -6.114 1.146
266 1HD1 LEU 39 1HD1 LEU 39 68.834 -6.615 1.216
267 2HD1 LEU 39 2HD1 LEU 39 69.203 -7.391 -0.322
268 3HD1 LEU 39 3HD1 LEU 39 69.575 -5.684 -0.083
269 1HD2 LEU 39 1HD2 LEU 39 70.279 -7.270 2.943
270 2HD2 LEU 39 2HD2 LEU 39 71.786 -8.093 2.547
271 3HD2 LEU 39 3HD2 LEU 39 70.248 -8.753 1.988
272 H ARG 40 HN ARG 40 73.415 -7.092 -2.576
273 HA ARG 40 HA ARG 40 74.841 -9.592 -3.162
274 1HB ARG 40 HB2 ARG 40 73.841 -9.704 -5.276
275 2HB ARG 40 HB1 ARG 40 72.540 -9.234 -4.193
276 1HG ARG 40 HG2 ARG 40 72.112 -7.574 -5.581
277 2HG ARG 40 HG1 ARG 40 73.628 -6.836 -5.063
278 1HD ARG 40 HD2 ARG 40 74.575 -8.559 -6.875
279 2HD ARG 40 HD1 ARG 40 72.967 -8.301 -7.546
280 HE ARG 40 HE ARG 40 74.849 -6.097 -6.989
281 1HH1 ARG 40 1HH1 ARG 40 72.484 -7.641 -9.056
282 2HH1 ARG 40 2HH1 ARG 40 72.523 -6.379 -10.239
283 1HH2 ARG 40 1HH2 ARG 40 74.888 -4.448 -8.547
284 2HH2 ARG 40 2HH2 ARG 40 73.882 -4.570 -9.953
285 H GLN 41 HN GLN 41 76.227 -7.358 -2.230
286 HA GLN 41 HA GLN 41 78.088 -7.018 -4.366
287 1HB GLN 41 HB2 GLN 41 76.605 -4.672 -3.212
288 2HB GLN 41 HB1 GLN 41 78.147 -4.498 -4.035
289 1HG GLN 41 HG2 GLN 41 77.195 -5.361 -6.073
290 2HG GLN 41 HG1 GLN 41 75.665 -5.677 -5.254
291 1HE2 GLN 41 1HE2 GLN 41 77.432 -3.468 -7.055
292 2HE2 GLN 41 2HE2 GLN 41 76.418 -2.087 -6.838
293 H ALA 42 HN ALA 42 77.281 -7.007 -1.047
294 HA ALA 42 HA ALA 42 79.454 -5.724 0.093
295 1HB ALA 42 HB1 ALA 42 78.766 -7.851 1.794
296 2HB ALA 42 HB2 ALA 42 77.281 -7.370 0.972
297 3HB ALA 42 HB3 ALA 42 78.213 -6.178 1.877
298 H ASN 43 HN ASN 43 81.534 -6.162 -0.214
299 HA ASN 43 HA ASN 43 82.708 -8.619 0.438
300 1HB ASN 43 HB2 ASN 43 81.531 -8.839 -2.005
301 2HB ASN 43 HB1 ASN 43 83.140 -8.293 -2.464
302 1HD2 ASN 43 1HD2 ASN 43 84.830 -9.664 -2.321
303 2HD2 ASN 43 2HD2 ASN 43 84.700 -11.311 -1.816
Start of MODEL 7
1 H MET 4 HT1 MET 4 70.857 -18.862 -0.766
2 HA MET 4 HA MET 4 72.163 -20.248 -1.782
3 1HB MET 4 HB2 MET 4 69.946 -22.047 -1.056
4 2HB MET 4 HB1 MET 4 70.909 -22.596 -2.422
5 1HG MET 4 HG2 MET 4 72.493 -21.655 -0.156
6 2HG MET 4 HG1 MET 4 71.476 -23.049 0.203
7 1HE MET 4 HE1 MET 4 74.545 -22.757 -3.148
8 2HE MET 4 HE2 MET 4 73.289 -21.600 -2.715
9 3HE MET 4 HE3 MET 4 72.886 -23.014 -3.688
10 H THR 5 HN THR 5 69.193 -21.477 -3.289
11 HA THR 5 HA THR 5 70.224 -20.585 -5.883
12 HB THR 5 HB THR 5 67.794 -22.291 -5.687
13 HG1 THR 5 HG1 THR 5 68.799 -23.648 -4.451
14 1HG2 THR 5 1HG2 THR 5 68.273 -22.426 -7.849
15 2HG2 THR 5 2HG2 THR 5 69.607 -23.478 -7.379
16 3HG2 THR 5 3HG2 THR 5 69.887 -21.752 -7.617
17 H THR 6 HN THR 6 69.634 -18.376 -5.598
18 HA THR 6 HA THR 6 66.771 -17.792 -5.448
19 HB THR 6 HB THR 6 67.505 -15.431 -5.240
20 HG1 THR 6 HG1 THR 6 69.449 -15.511 -6.354
21 1HG2 THR 6 1HG2 THR 6 67.463 -15.869 -3.074
22 2HG2 THR 6 2HG2 THR 6 69.197 -16.178 -3.167
23 3HG2 THR 6 3HG2 THR 6 68.055 -17.511 -3.335
24 H SER 7 HN SER 7 65.733 -17.873 -7.336
25 HA SER 7 HA SER 7 67.084 -17.346 -9.831
26 1HB SER 7 HB2 SER 7 64.110 -17.666 -9.589
27 2HB SER 7 HB1 SER 7 65.182 -18.189 -10.887
28 HG SER 7 HG SER 7 66.069 -19.569 -8.992
29 H SER 8 HN SER 8 67.556 -15.274 -10.252
30 HA SER 8 HA SER 8 67.210 -13.107 -10.878
31 1HB SER 8 HB2 SER 8 64.280 -13.329 -10.228
32 2HB SER 8 HB1 SER 8 65.069 -12.328 -11.446
33 HG SER 8 HG SER 8 65.571 -14.285 -12.568
34 H ARG 9 HN ARG 9 64.811 -13.696 -8.300
35 HA ARG 9 HA ARG 9 64.533 -12.771 -6.239
36 1HB ARG 9 HB2 ARG 9 66.766 -13.619 -5.765
37 2HB ARG 9 HB1 ARG 9 67.490 -12.207 -6.519
38 1HG ARG 9 HG2 ARG 9 67.592 -12.033 -4.110
39 2HG ARG 9 HG1 ARG 9 66.540 -10.783 -4.772
40 1HD ARG 9 HD2 ARG 9 64.971 -11.459 -3.346
41 2HD ARG 9 HD1 ARG 9 64.865 -12.960 -4.269
42 HE ARG 9 HE ARG 9 66.962 -12.938 -2.297
43 1HH1 ARG 9 1HH1 ARG 9 63.588 -13.608 -2.892
44 2HH1 ARG 9 2HH1 ARG 9 63.440 -14.694 -1.552
45 1HH2 ARG 9 1HH2 ARG 9 66.766 -14.363 -0.532
46 2HH2 ARG 9 2HH2 ARG 9 65.242 -15.122 -0.212
47 H TYR 10 HN TYR 10 64.397 -10.723 -5.096
48 HA TYR 10 HA TYR 10 63.719 -8.594 -6.824
49 1HB TYR 10 HB2 TYR 10 63.708 -9.141 -3.909
50 2HB TYR 10 HB1 TYR 10 63.655 -7.468 -4.408
51 HD1 TYR 10 HD1 TYR 10 61.507 -6.577 -4.373
52 HD2 TYR 10 HD2 TYR 10 62.084 -10.624 -5.563
53 HE1 TYR 10 HE1 TYR 10 59.092 -6.802 -4.763
54 HE2 TYR 10 HE2 TYR 10 59.665 -10.856 -5.958
55 HH TYR 10 HH TYR 10 57.547 -8.173 -6.021
56 H LYS 11 HN LYS 11 64.584 -6.350 -5.430
57 HA LYS 11 HA LYS 11 66.978 -5.794 -6.685
58 1HB LYS 11 HB2 LYS 11 66.104 -4.231 -4.287
59 2HB LYS 11 HB1 LYS 11 66.834 -3.660 -5.780
60 1HG LYS 11 HG2 LYS 11 64.539 -4.688 -6.743
61 2HG LYS 11 HG1 LYS 11 64.017 -4.183 -5.124
62 1HD LYS 11 HD2 LYS 11 63.688 -2.197 -6.156
63 2HD LYS 11 HD1 LYS 11 65.422 -2.002 -5.874
64 1HE LYS 11 HE2 LYS 11 65.436 -3.364 -8.214
65 2HE LYS 11 HE1 LYS 11 63.941 -2.445 -8.381
66 1HZ LYS 11 HZ1 LYS 11 66.199 -1.435 -9.139
67 2HZ LYS 11 HZ2 LYS 11 66.375 -1.058 -7.500
68 3HZ LYS 11 HZ3 LYS 11 65.052 -0.460 -8.366
69 H THR 12 HN THR 12 68.537 -4.424 -4.942
70 HA THR 12 HA THR 12 69.810 -6.573 -3.387
71 HB THR 12 HB THR 12 71.714 -4.668 -3.745
72 HG1 THR 12 HG1 THR 12 70.810 -3.354 -5.148
73 1HG2 THR 12 1HG2 THR 12 72.516 -6.668 -4.356
74 2HG2 THR 12 2HG2 THR 12 72.154 -6.060 -5.971
75 3HG2 THR 12 3HG2 THR 12 71.023 -7.144 -5.161
76 H GLU 13 HN GLU 13 68.625 -3.296 -3.227
77 HA GLU 13 HA GLU 13 69.986 -2.664 -0.841
78 1HB GLU 13 HB2 GLU 13 68.291 -1.303 -2.742
79 2HB GLU 13 HB1 GLU 13 68.018 -0.786 -1.090
80 1HG GLU 13 HG2 GLU 13 69.976 0.287 -0.970
81 2HG GLU 13 HG1 GLU 13 70.837 -0.998 -1.821
82 H LEU 14 HN LEU 14 68.421 -1.379 0.831
83 HA LEU 14 HA LEU 14 66.053 -2.747 1.617
84 1HB LEU 14 HB2 LEU 14 67.250 -3.336 3.907
85 2HB LEU 14 HB1 LEU 14 67.145 -4.475 2.583
86 HG LEU 14 HG LEU 14 69.390 -4.148 3.864
87 1HD1 LEU 14 1HD1 LEU 14 70.065 -4.097 1.053
88 2HD1 LEU 14 2HD1 LEU 14 68.691 -5.140 1.396
89 3HD1 LEU 14 3HD1 LEU 14 70.219 -5.391 2.237
90 1HD2 LEU 14 1HD2 LEU 14 69.897 -2.068 1.781
91 2HD2 LEU 14 2HD2 LEU 14 70.796 -2.425 3.251
92 3HD2 LEU 14 3HD2 LEU 14 69.241 -1.604 3.347
93 H CYS 15 HN CYS 15 65.033 -1.783 3.437
94 HA CYS 15 HA CYS 15 65.618 0.950 3.777
95 1HB CYS 15 HB2 CYS 15 63.312 -0.143 3.856
96 2HB CYS 15 HB1 CYS 15 63.727 -0.693 5.477
97 H ARG 16 HN ARG 16 67.795 0.949 4.619
98 HA ARG 16 HA ARG 16 68.398 -0.377 7.062
99 1HB ARG 16 HB2 ARG 16 69.838 1.322 5.087
100 2HB ARG 16 HB1 ARG 16 70.468 1.296 6.726
101 1HG ARG 16 HG2 ARG 16 69.990 -1.129 5.023
102 2HG ARG 16 HG1 ARG 16 71.553 -0.367 5.319
103 1HD ARG 16 HD2 ARG 16 71.788 -1.486 7.220
104 2HD ARG 16 HD1 ARG 16 70.243 -0.877 7.813
105 HE ARG 16 HE ARG 16 69.381 -2.814 6.262
106 1HH1 ARG 16 1HH1 ARG 16 72.094 -2.839 8.467
107 2HH1 ARG 16 2HH1 ARG 16 71.985 -4.539 8.772
108 1HH2 ARG 16 1HH2 ARG 16 69.241 -5.051 6.673
109 2HH2 ARG 16 2HH2 ARG 16 70.369 -5.793 7.759
110 H THR 17 HN THR 17 69.551 2.875 6.822
111 HA THR 17 HA THR 17 68.633 3.529 9.420
112 HB THR 17 HB THR 17 70.772 4.372 8.518
113 HG1 THR 17 HG1 THR 17 69.256 5.622 10.051
114 1HG2 THR 17 1HG2 THR 17 69.072 6.111 6.746
115 2HG2 THR 17 2HG2 THR 17 70.109 4.790 6.208
116 3HG2 THR 17 3HG2 THR 17 70.819 6.223 6.952
117 H TYR 18 HN TYR 18 67.462 3.923 6.267
118 HA TYR 18 HA TYR 18 65.890 6.153 6.271
119 1HB TYR 18 HB2 TYR 18 65.673 3.430 5.039
120 2HB TYR 18 HB1 TYR 18 64.528 4.700 4.658
121 HD1 TYR 18 HD1 TYR 18 65.018 5.062 2.400
122 HD2 TYR 18 HD2 TYR 18 68.176 5.125 5.215
123 HE1 TYR 18 HE1 TYR 18 66.507 6.012 0.701
124 HE2 TYR 18 HE2 TYR 18 69.694 6.026 3.522
125 HH TYR 18 HH TYR 18 69.219 5.917 0.387
126 H SER 19 HN SER 19 65.070 2.876 7.368
127 HA SER 19 HA SER 19 62.409 3.112 7.903
128 1HB SER 19 HB2 SER 19 63.652 1.007 8.074
129 2HB SER 19 HB1 SER 19 64.439 1.590 9.540
130 HG SER 19 HG SER 19 62.789 0.708 10.498
131 H GLU 20 HN GLU 20 64.814 4.918 9.405
132 HA GLU 20 HA GLU 20 63.268 5.338 11.839
133 1HB GLU 20 HB2 GLU 20 66.065 5.467 11.172
134 2HB GLU 20 HB1 GLU 20 65.539 6.998 11.866
135 1HG GLU 20 HG2 GLU 20 64.775 5.953 13.828
136 2HG GLU 20 HG1 GLU 20 64.921 4.347 13.110
137 H SER 21 HN SER 21 62.293 6.164 9.340
138 HA SER 21 HA SER 21 61.122 7.898 8.434
139 1HB SER 21 HB2 SER 21 61.897 9.288 11.008
140 2HB SER 21 HB1 SER 21 60.766 9.941 9.825
141 HG SER 21 HG SER 21 60.110 8.454 11.781
142 H GLY 22 HN GLY 22 64.179 7.619 8.242
143 1HA GLY 22 HA2 GLY 22 65.281 10.165 7.924
144 2HA GLY 22 HA1 GLY 22 65.915 8.692 7.217
145 H ARG 23 HN ARG 23 65.362 8.146 5.161
146 HA ARG 23 HA ARG 23 64.209 10.304 3.549
147 1HB ARG 23 HB2 ARG 23 66.596 9.662 3.156
148 2HB ARG 23 HB1 ARG 23 66.008 8.110 2.615
149 1HG ARG 23 HG2 ARG 23 64.645 10.218 1.229
150 2HG ARG 23 HG1 ARG 23 66.394 10.393 1.076
151 1HD ARG 23 HD2 ARG 23 66.441 7.930 0.443
152 2HD ARG 23 HD1 ARG 23 64.688 8.031 0.305
153 HE ARG 23 HE ARG 23 66.627 9.049 -1.539
154 1HH1 ARG 23 1HH1 ARG 23 63.384 9.464 -0.318
155 2HH1 ARG 23 2HH1 ARG 23 62.798 10.198 -1.773
156 1HH2 ARG 23 1HH2 ARG 23 65.857 10.005 -3.453
157 2HH2 ARG 23 2HH2 ARG 23 64.201 10.505 -3.554
158 H CYS 24 HN CYS 24 64.666 6.882 3.253
159 HA CYS 24 HA CYS 24 63.361 5.175 2.528
160 1HB CYS 24 HB2 CYS 24 61.343 7.072 3.542
161 2HB CYS 24 HB1 CYS 24 60.762 5.811 2.465
162 H ARG 25 HN ARG 25 64.377 5.492 0.520
163 HA ARG 25 HA ARG 25 63.708 7.222 -1.488
164 1HB ARG 25 HB2 ARG 25 65.687 5.856 -1.562
165 2HB ARG 25 HB1 ARG 25 64.729 4.403 -1.654
166 1HG ARG 25 HG2 ARG 25 65.210 4.552 -3.839
167 2HG ARG 25 HG1 ARG 25 63.837 5.667 -3.854
168 1HD ARG 25 HD2 ARG 25 65.353 7.015 -4.860
169 2HD ARG 25 HD1 ARG 25 65.778 7.383 -3.191
170 HE ARG 25 HE ARG 25 67.284 5.688 -5.046
171 1HH1 ARG 25 1HH1 ARG 25 67.037 7.190 -1.895
172 2HH1 ARG 25 2HH1 ARG 25 68.706 6.942 -1.517
173 1HH2 ARG 25 1HH2 ARG 25 69.473 5.367 -4.537
174 2HH2 ARG 25 2HH2 ARG 25 70.088 5.911 -3.011
175 H TYR 26 HN TYR 26 61.833 4.635 -0.360
176 HA TYR 26 HA TYR 26 59.786 5.160 -2.379
177 1HB TYR 26 HB2 TYR 26 60.724 2.389 -1.585
178 2HB TYR 26 HB1 TYR 26 59.268 2.715 -2.517
179 HD1 TYR 26 HD1 TYR 26 60.268 4.795 -4.386
180 HD2 TYR 26 HD2 TYR 26 62.072 1.185 -3.048
181 HE1 TYR 26 HE1 TYR 26 61.561 4.672 -6.476
182 HE2 TYR 26 HE2 TYR 26 63.372 1.051 -5.127
183 HH TYR 26 HH TYR 26 62.699 2.509 -7.814
184 H GLY 27 HN GLY 27 59.856 6.221 0.125
185 1HA GLY 27 HA2 GLY 27 58.925 5.028 2.340
186 2HA GLY 27 HA1 GLY 27 58.307 6.582 1.812
187 H ALA 28 HN ALA 28 57.322 3.821 2.990
188 HA ALA 28 HA ALA 28 55.254 2.896 3.203
189 1HB ALA 28 HB1 ALA 28 54.471 5.250 2.492
190 2HB ALA 28 HB2 ALA 28 53.343 3.902 2.358
191 3HB ALA 28 HB3 ALA 28 54.177 4.499 0.923
192 H LYS 29 HN LYS 29 56.831 3.119 0.180
193 HA LYS 29 HA LYS 29 55.694 0.592 -0.654
194 1HB LYS 29 HB2 LYS 29 55.248 2.830 -1.969
195 2HB LYS 29 HB1 LYS 29 56.842 2.484 -2.625
196 1HG LYS 29 HG2 LYS 29 56.017 0.976 -3.985
197 2HG LYS 29 HG1 LYS 29 55.264 0.121 -2.642
198 1HD LYS 29 HD2 LYS 29 54.040 2.574 -3.870
199 2HD LYS 29 HD1 LYS 29 53.705 0.950 -4.474
200 1HE LYS 29 HE2 LYS 29 53.191 0.469 -1.942
201 2HE LYS 29 HE1 LYS 29 52.947 2.213 -1.881
202 1HZ LYS 29 HZ1 LYS 29 51.235 2.072 -3.483
203 2HZ LYS 29 HZ2 LYS 29 50.915 0.859 -2.349
204 3HZ LYS 29 HZ3 LYS 29 51.589 0.459 -3.848
205 H CYS 30 HN CYS 30 58.204 1.465 0.895
206 HA CYS 30 HA CYS 30 60.291 0.747 -0.968
207 1HB CYS 30 HB2 CYS 30 61.843 1.182 0.848
208 2HB CYS 30 HB1 CYS 30 60.733 2.533 0.567
209 H GLN 31 HN GLN 31 60.749 -1.225 -1.405
210 HA GLN 31 HA GLN 31 60.712 -3.272 0.670
211 1HB GLN 31 HB2 GLN 31 60.952 -4.648 -1.658
212 2HB GLN 31 HB1 GLN 31 59.419 -4.313 -0.866
213 1HG GLN 31 HG2 GLN 31 59.523 -2.137 -2.350
214 2HG GLN 31 HG1 GLN 31 60.586 -3.141 -3.331
215 1HE2 GLN 31 1HE2 GLN 31 59.301 -5.620 -2.786
216 2HE2 GLN 31 2HE2 GLN 31 57.766 -5.599 -3.597
217 H PHE 32 HN PHE 32 62.511 -1.358 -1.448
218 HA PHE 32 HA PHE 32 65.018 -2.340 -0.498
219 1HB PHE 32 HB2 PHE 32 64.343 -2.628 -3.432
220 2HB PHE 32 HB1 PHE 32 65.943 -2.848 -2.736
221 HD1 PHE 32 HD1 PHE 32 62.578 -4.269 -3.029
222 HD2 PHE 32 HD2 PHE 32 66.526 -4.825 -1.559
223 HE1 PHE 32 HE1 PHE 32 62.126 -6.668 -2.695
224 HE2 PHE 32 HE2 PHE 32 66.082 -7.215 -1.224
225 HZ PHE 32 HZ PHE 32 63.881 -8.146 -1.804
226 H ALA 33 HN ALA 33 66.474 -1.149 -2.781
227 HA ALA 33 HA ALA 33 67.468 0.890 -3.128
228 1HB ALA 33 HB1 ALA 33 65.432 0.673 -4.700
229 2HB ALA 33 HB2 ALA 33 66.213 2.246 -4.530
230 3HB ALA 33 HB3 ALA 33 64.712 1.910 -3.670
231 H HIS 34 HN HIS 34 68.231 1.644 -1.170
232 HA HIS 34 HA HIS 34 66.887 3.917 -0.026
233 1HB HIS 34 HB2 HIS 34 66.671 1.242 1.204
234 2HB HIS 34 HB1 HIS 34 67.174 2.501 2.306
235 HD1 HIS 34 HD1 HIS 34 64.484 3.167 -0.302
236 HD2 HIS 34 HD2 HIS 34 65.019 2.507 3.730
237 HE1 HIS 34 HE1 HIS 34 62.265 3.696 0.837
238 H GLY 35 HN GLY 35 68.560 3.090 2.614
239 1HA GLY 35 HA2 GLY 35 70.829 4.628 2.080
240 2HA GLY 35 HA1 GLY 35 70.581 3.563 3.479
241 H LEU 36 HN LEU 36 71.669 1.757 3.629
242 HA LEU 36 HA LEU 36 73.869 1.194 1.960
243 1HB LEU 36 HB2 LEU 36 73.177 0.552 4.465
244 2HB LEU 36 HB1 LEU 36 72.672 -0.930 3.690
245 HG LEU 36 HG LEU 36 75.367 -0.124 2.906
246 1HD1 LEU 36 1HD1 LEU 36 76.414 -0.628 5.059
247 2HD1 LEU 36 2HD1 LEU 36 74.822 -0.713 5.813
248 3HD1 LEU 36 3HD1 LEU 36 75.405 0.815 5.151
249 1HD2 LEU 36 1HD2 LEU 36 75.013 -2.302 2.396
250 2HD2 LEU 36 2HD2 LEU 36 73.888 -2.548 3.732
251 3HD2 LEU 36 3HD2 LEU 36 75.625 -2.538 4.033
252 H GLY 37 HN GLY 37 72.820 -1.878 2.215
253 1HA GLY 37 HA2 GLY 37 71.311 -3.169 0.994
254 2HA GLY 37 HA1 GLY 37 71.078 -1.815 -0.076
255 H GLU 38 HN GLU 38 74.318 -2.023 0.288
256 HA GLU 38 HA GLU 38 74.537 -3.435 -2.249
257 1HB GLU 38 HB2 GLU 38 76.786 -2.200 -0.651
258 2HB GLU 38 HB1 GLU 38 76.779 -2.598 -2.363
259 1HG GLU 38 HG2 GLU 38 74.651 -0.861 -2.089
260 2HG GLU 38 HG1 GLU 38 75.876 -0.203 -1.006
261 H LEU 39 HN LEU 39 73.791 -4.963 0.102
262 HA LEU 39 HA LEU 39 76.136 -6.471 0.863
263 1HB LEU 39 HB2 LEU 39 73.269 -7.213 1.376
264 2HB LEU 39 HB1 LEU 39 74.688 -7.753 2.255
265 HG LEU 39 HG LEU 39 74.502 -4.883 2.330
266 1HD1 LEU 39 1HD1 LEU 39 72.153 -5.068 2.086
267 2HD1 LEU 39 2HD1 LEU 39 72.471 -4.814 3.801
268 3HD1 LEU 39 3HD1 LEU 39 72.075 -6.427 3.207
269 1HD2 LEU 39 1HD2 LEU 39 74.204 -6.855 4.583
270 2HD2 LEU 39 2HD2 LEU 39 74.823 -5.204 4.656
271 3HD2 LEU 39 3HD2 LEU 39 75.758 -6.461 3.848
272 H ARG 40 HN ARG 40 73.801 -6.604 -1.607
273 HA ARG 40 HA ARG 40 74.622 -9.340 -2.308
274 1HB ARG 40 HB2 ARG 40 72.375 -8.428 -3.861
275 2HB ARG 40 HB1 ARG 40 72.509 -9.831 -2.818
276 1HG ARG 40 HG2 ARG 40 72.074 -7.159 -1.575
277 2HG ARG 40 HG1 ARG 40 70.726 -7.981 -2.362
278 1HD ARG 40 HD2 ARG 40 71.048 -8.391 0.134
279 2HD ARG 40 HD1 ARG 40 70.822 -9.799 -0.897
280 HE ARG 40 HE ARG 40 73.276 -8.995 0.457
281 1HH1 ARG 40 1HH1 ARG 40 71.655 -11.239 -1.680
282 2HH1 ARG 40 2HH1 ARG 40 72.881 -12.450 -1.533
283 1HH2 ARG 40 1HH2 ARG 40 74.885 -10.588 0.638
284 2HH2 ARG 40 2HH2 ARG 40 74.712 -12.083 -0.221
285 H GLN 41 HN GLN 41 76.137 -6.940 -2.825
286 HA GLN 41 HA GLN 41 76.519 -7.284 -5.637
287 1HB GLN 41 HB2 GLN 41 75.743 -4.661 -4.385
288 2HB GLN 41 HB1 GLN 41 76.612 -4.740 -5.915
289 1HG GLN 41 HG2 GLN 41 74.311 -6.483 -5.907
290 2HG GLN 41 HG1 GLN 41 73.870 -4.817 -5.542
291 1HE2 GLN 41 1HE2 GLN 41 73.698 -6.743 -7.955
292 2HE2 GLN 41 2HE2 GLN 41 74.190 -5.749 -9.279
293 H ALA 42 HN ALA 42 77.488 -5.258 -2.880
294 HA ALA 42 HA ALA 42 79.521 -4.693 -2.030
295 1HB ALA 42 HB1 ALA 42 81.378 -6.493 -2.757
296 2HB ALA 42 HB2 ALA 42 79.916 -7.419 -3.084
297 3HB ALA 42 HB3 ALA 42 80.204 -6.770 -1.469
298 H ASN 43 HN ASN 43 80.488 -2.937 -2.794
299 HA ASN 43 HA ASN 43 81.577 -3.005 -5.530
300 1HB ASN 43 HB2 ASN 43 79.893 -1.106 -4.210
301 2HB ASN 43 HB1 ASN 43 81.431 -0.328 -4.571
302 1HD2 ASN 43 1HD2 ASN 43 78.441 -1.221 -5.768
303 2HD2 ASN 43 2HD2 ASN 43 78.740 -0.949 -7.448
Start of MODEL 8
1 H MET 4 HT1 MET 4 66.742 -20.819 -6.533
2 HA MET 4 HA MET 4 68.950 -20.859 -6.786
3 1HB MET 4 HB2 MET 4 67.401 -20.053 -9.067
4 2HB MET 4 HB1 MET 4 69.021 -19.396 -9.219
5 1HG MET 4 HG2 MET 4 68.948 -21.513 -10.309
6 2HG MET 4 HG1 MET 4 69.929 -21.667 -8.851
7 1HE MET 4 HE1 MET 4 68.205 -25.079 -9.522
8 2HE MET 4 HE2 MET 4 69.446 -24.646 -8.344
9 3HE MET 4 HE3 MET 4 69.526 -24.004 -9.983
10 H THR 5 HN THR 5 68.820 -18.936 -4.951
11 HA THR 5 HA THR 5 70.251 -17.392 -4.033
12 HB THR 5 HB THR 5 71.278 -16.821 -6.818
13 HG1 THR 5 HG1 THR 5 72.087 -18.716 -4.886
14 1HG2 THR 5 1HG2 THR 5 73.200 -16.532 -4.725
15 2HG2 THR 5 2HG2 THR 5 71.791 -15.527 -4.393
16 3HG2 THR 5 3HG2 THR 5 72.656 -15.353 -5.918
17 H THR 6 HN THR 6 68.615 -16.546 -7.043
18 HA THR 6 HA THR 6 67.451 -14.231 -5.725
19 HB THR 6 HB THR 6 67.867 -12.919 -7.904
20 HG1 THR 6 HG1 THR 6 70.238 -14.210 -8.296
21 1HG2 THR 6 1HG2 THR 6 68.971 -12.140 -5.977
22 2HG2 THR 6 2HG2 THR 6 70.210 -12.290 -7.223
23 3HG2 THR 6 3HG2 THR 6 70.075 -13.516 -5.961
24 H SER 7 HN SER 7 67.584 -15.264 -9.129
25 HA SER 7 HA SER 7 65.964 -15.898 -10.600
26 1HB SER 7 HB2 SER 7 65.137 -17.126 -8.032
27 2HB SER 7 HB1 SER 7 63.900 -17.041 -9.290
28 HG SER 7 HG SER 7 65.454 -18.938 -9.172
29 H SER 8 HN SER 8 65.525 -13.667 -11.068
30 HA SER 8 HA SER 8 64.189 -11.844 -11.345
31 1HB SER 8 HB2 SER 8 62.244 -14.068 -10.874
32 2HB SER 8 HB1 SER 8 61.640 -12.413 -10.942
33 HG SER 8 HG SER 8 62.588 -14.028 -12.950
34 H ARG 9 HN ARG 9 65.388 -12.244 -8.752
35 HA ARG 9 HA ARG 9 63.480 -11.543 -6.737
36 1HB ARG 9 HB2 ARG 9 66.058 -12.538 -6.740
37 2HB ARG 9 HB1 ARG 9 66.271 -10.891 -6.162
38 1HG ARG 9 HG2 ARG 9 64.035 -12.142 -4.851
39 2HG ARG 9 HG1 ARG 9 65.491 -13.124 -4.688
40 1HD ARG 9 HD2 ARG 9 66.708 -11.157 -3.874
41 2HD ARG 9 HD1 ARG 9 65.238 -10.197 -4.004
42 HE ARG 9 HE ARG 9 64.564 -11.070 -2.009
43 1HH1 ARG 9 1HH1 ARG 9 66.998 -13.183 -3.355
44 2HH1 ARG 9 2HH1 ARG 9 67.061 -14.202 -1.959
45 1HH2 ARG 9 1HH2 ARG 9 64.659 -12.408 -0.166
46 2HH2 ARG 9 2HH2 ARG 9 65.729 -13.771 -0.153
47 H TYR 10 HN TYR 10 63.861 -9.573 -5.383
48 HA TYR 10 HA TYR 10 63.582 -7.281 -7.055
49 1HB TYR 10 HB2 TYR 10 63.211 -7.990 -4.219
50 2HB TYR 10 HB1 TYR 10 63.602 -6.306 -4.535
51 HD1 TYR 10 HD1 TYR 10 61.695 -4.964 -4.553
52 HD2 TYR 10 HD2 TYR 10 61.509 -8.880 -6.202
53 HE1 TYR 10 HE1 TYR 10 59.366 -4.558 -5.219
54 HE2 TYR 10 HE2 TYR 10 59.169 -8.491 -6.872
55 HH TYR 10 HH TYR 10 57.591 -5.355 -6.325
56 H LYS 11 HN LYS 11 64.764 -5.323 -5.431
57 HA LYS 11 HA LYS 11 67.320 -5.255 -6.552
58 1HB LYS 11 HB2 LYS 11 66.493 -3.502 -4.271
59 2HB LYS 11 HB1 LYS 11 67.525 -3.113 -5.638
60 1HG LYS 11 HG2 LYS 11 64.931 -3.862 -6.590
61 2HG LYS 11 HG1 LYS 11 64.777 -2.611 -5.346
62 1HD LYS 11 HD2 LYS 11 65.062 -1.289 -7.175
63 2HD LYS 11 HD1 LYS 11 66.757 -1.531 -6.739
64 1HE LYS 11 HE2 LYS 11 65.257 -3.232 -8.724
65 2HE LYS 11 HE1 LYS 11 66.252 -1.843 -9.166
66 1HZ LYS 11 HZ1 LYS 11 67.854 -3.370 -7.549
67 2HZ LYS 11 HZ2 LYS 11 67.944 -3.255 -9.234
68 3HZ LYS 11 HZ3 LYS 11 67.049 -4.500 -8.521
69 H THR 12 HN THR 12 68.918 -4.183 -4.597
70 HA THR 12 HA THR 12 69.456 -6.528 -2.893
71 HB THR 12 HB THR 12 71.190 -6.397 -4.485
72 HG1 THR 12 HG1 THR 12 72.971 -5.408 -3.186
73 1HG2 THR 12 1HG2 THR 12 72.481 -4.100 -4.574
74 2HG2 THR 12 2HG2 THR 12 70.889 -3.464 -4.167
75 3HG2 THR 12 3HG2 THR 12 71.103 -4.429 -5.627
76 H GLU 13 HN GLU 13 68.598 -3.287 -2.803
77 HA GLU 13 HA GLU 13 70.131 -2.552 -0.553
78 1HB GLU 13 HB2 GLU 13 68.303 -1.270 -2.391
79 2HB GLU 13 HB1 GLU 13 68.121 -0.717 -0.740
80 1HG GLU 13 HG2 GLU 13 70.107 0.316 -0.697
81 2HG GLU 13 HG1 GLU 13 70.876 -0.910 -1.694
82 H LEU 14 HN LEU 14 68.617 -1.270 1.212
83 HA LEU 14 HA LEU 14 66.350 -2.777 2.063
84 1HB LEU 14 HB2 LEU 14 67.578 -3.270 4.326
85 2HB LEU 14 HB1 LEU 14 67.650 -4.395 2.983
86 HG LEU 14 HG LEU 14 69.798 -3.839 4.329
87 1HD1 LEU 14 1HD1 LEU 14 71.149 -4.410 2.519
88 2HD1 LEU 14 2HD1 LEU 14 70.029 -3.718 1.349
89 3HD1 LEU 14 3HD1 LEU 14 69.595 -5.187 2.226
90 1HD2 LEU 14 1HD2 LEU 14 69.372 -1.332 3.927
91 2HD2 LEU 14 2HD2 LEU 14 70.079 -1.634 2.335
92 3HD2 LEU 14 3HD2 LEU 14 71.014 -1.963 3.795
93 H CYS 15 HN CYS 15 65.252 -1.819 3.842
94 HA CYS 15 HA CYS 15 65.660 0.964 4.076
95 1HB CYS 15 HB2 CYS 15 63.419 -0.296 4.161
96 2HB CYS 15 HB1 CYS 15 63.830 -0.692 5.826
97 H ARG 16 HN ARG 16 67.835 1.038 4.929
98 HA ARG 16 HA ARG 16 68.441 -0.129 7.447
99 1HB ARG 16 HB2 ARG 16 69.855 1.511 5.403
100 2HB ARG 16 HB1 ARG 16 70.434 1.648 7.060
101 1HG ARG 16 HG2 ARG 16 70.808 -0.716 7.197
102 2HG ARG 16 HG1 ARG 16 70.098 -0.948 5.602
103 1HD ARG 16 HD2 ARG 16 71.889 0.542 4.687
104 2HD ARG 16 HD1 ARG 16 72.643 0.503 6.283
105 HE ARG 16 HE ARG 16 72.744 -1.529 4.302
106 1HH1 ARG 16 1HH1 ARG 16 72.696 -0.982 7.740
107 2HH1 ARG 16 2HH1 ARG 16 73.485 -2.477 8.116
108 1HH2 ARG 16 1HH2 ARG 16 73.783 -3.502 4.792
109 2HH2 ARG 16 2HH2 ARG 16 74.108 -3.904 6.446
110 H THR 17 HN THR 17 69.422 3.175 7.055
111 HA THR 17 HA THR 17 68.358 3.908 9.589
112 HB THR 17 HB THR 17 70.508 4.799 8.793
113 HG1 THR 17 HG1 THR 17 70.087 6.977 9.330
114 1HG2 THR 17 1HG2 THR 17 70.834 6.001 6.930
115 2HG2 THR 17 2HG2 THR 17 69.248 6.766 7.016
116 3HG2 THR 17 3HG2 THR 17 69.403 5.127 6.386
117 H TYR 18 HN TYR 18 67.330 4.045 6.375
118 HA TYR 18 HA TYR 18 65.671 6.219 6.162
119 1HB TYR 18 HB2 TYR 18 65.662 3.420 5.107
120 2HB TYR 18 HB1 TYR 18 64.445 4.578 4.612
121 HD1 TYR 18 HD1 TYR 18 64.912 5.013 2.408
122 HD2 TYR 18 HD2 TYR 18 68.093 5.085 5.194
123 HE1 TYR 18 HE1 TYR 18 66.384 5.929 0.688
124 HE2 TYR 18 HE2 TYR 18 69.600 5.948 3.473
125 HH TYR 18 HH TYR 18 68.580 6.253 0.134
126 H SER 19 HN SER 19 64.973 2.968 7.393
127 HA SER 19 HA SER 19 62.292 3.043 7.777
128 1HB SER 19 HB2 SER 19 64.415 1.408 8.607
129 2HB SER 19 HB1 SER 19 63.507 1.796 10.071
130 HG SER 19 HG SER 19 62.202 0.300 9.399
131 H GLU 20 HN GLU 20 64.551 4.982 9.410
132 HA GLU 20 HA GLU 20 62.635 5.604 11.531
133 1HB GLU 20 HB2 GLU 20 65.477 5.342 11.504
134 2HB GLU 20 HB1 GLU 20 65.081 7.008 11.916
135 1HG GLU 20 HG2 GLU 20 63.336 5.841 13.487
136 2HG GLU 20 HG1 GLU 20 64.469 4.493 13.362
137 H SER 21 HN SER 21 62.215 6.405 8.902
138 HA SER 21 HA SER 21 61.403 8.223 7.769
139 1HB SER 21 HB2 SER 21 62.129 9.915 10.164
140 2HB SER 21 HB1 SER 21 60.909 10.245 8.933
141 HG SER 21 HG SER 21 60.144 9.380 11.006
142 H GLY 22 HN GLY 22 64.467 7.590 8.245
143 1HA GLY 22 HA2 GLY 22 65.848 9.974 7.867
144 2HA GLY 22 HA1 GLY 22 66.463 8.379 7.460
145 H ARG 23 HN ARG 23 63.931 8.261 5.639
146 HA ARG 23 HA ARG 23 64.001 10.115 3.626
147 1HB ARG 23 HB2 ARG 23 66.403 9.350 3.534
148 2HB ARG 23 HB1 ARG 23 65.760 7.870 2.866
149 1HG ARG 23 HG2 ARG 23 64.781 10.266 1.548
150 2HG ARG 23 HG1 ARG 23 66.521 10.021 1.410
151 1HD ARG 23 HD2 ARG 23 66.240 8.379 -0.077
152 2HD ARG 23 HD1 ARG 23 65.106 7.538 0.976
153 HE ARG 23 HE ARG 23 63.327 8.663 -0.064
154 1HH1 ARG 23 1HH1 ARG 23 66.415 9.514 -1.466
155 2HH1 ARG 23 2HH1 ARG 23 65.715 10.188 -2.897
156 1HH2 ARG 23 1HH2 ARG 23 62.413 9.545 -1.943
157 2HH2 ARG 23 2HH2 ARG 23 63.441 10.205 -3.170
158 H CYS 24 HN CYS 24 64.459 6.677 3.362
159 HA CYS 24 HA CYS 24 63.224 4.995 2.518
160 1HB CYS 24 HB2 CYS 24 61.114 6.825 3.486
161 2HB CYS 24 HB1 CYS 24 60.635 5.506 2.428
162 H ARG 25 HN ARG 25 64.247 5.321 0.552
163 HA ARG 25 HA ARG 25 63.557 7.081 -1.461
164 1HB ARG 25 HB2 ARG 25 65.622 5.832 -1.430
165 2HB ARG 25 HB1 ARG 25 64.750 4.330 -1.576
166 1HG ARG 25 HG2 ARG 25 65.408 4.559 -3.725
167 2HG ARG 25 HG1 ARG 25 63.900 5.473 -3.815
168 1HD ARG 25 HD2 ARG 25 65.048 7.545 -3.611
169 2HD ARG 25 HD1 ARG 25 66.560 6.737 -3.190
170 HE ARG 25 HE ARG 25 66.097 5.762 -5.629
171 1HH1 ARG 25 1HH1 ARG 25 65.989 9.024 -4.400
172 2HH1 ARG 25 2HH1 ARG 25 66.413 9.743 -5.916
173 1HH2 ARG 25 1HH2 ARG 25 66.645 6.689 -7.621
174 2HH2 ARG 25 2HH2 ARG 25 66.786 8.409 -7.756
175 H TYR 26 HN TYR 26 61.734 4.494 -0.317
176 HA TYR 26 HA TYR 26 59.792 4.773 -2.490
177 1HB TYR 26 HB2 TYR 26 60.762 2.143 -1.346
178 2HB TYR 26 HB1 TYR 26 59.329 2.308 -2.350
179 HD1 TYR 26 HD1 TYR 26 60.657 4.362 -4.275
180 HD2 TYR 26 HD2 TYR 26 61.850 0.576 -2.745
181 HE1 TYR 26 HE1 TYR 26 62.037 3.996 -6.281
182 HE2 TYR 26 HE2 TYR 26 63.243 0.206 -4.731
183 HH TYR 26 HH TYR 26 62.934 1.740 -7.506
184 H GLY 27 HN GLY 27 59.565 6.140 -0.242
185 1HA GLY 27 HA2 GLY 27 58.644 5.236 2.107
186 2HA GLY 27 HA1 GLY 27 57.882 6.594 1.299
187 H ALA 28 HN ALA 28 57.280 3.799 2.792
188 HA ALA 28 HA ALA 28 55.424 2.540 3.085
189 1HB ALA 28 HB1 ALA 28 53.721 3.987 2.931
190 2HB ALA 28 HB2 ALA 28 53.464 3.279 1.338
191 3HB ALA 28 HB3 ALA 28 54.392 4.768 1.500
192 H LYS 29 HN LYS 29 56.915 2.860 0.060
193 HA LYS 29 HA LYS 29 55.871 0.311 -0.818
194 1HB LYS 29 HB2 LYS 29 55.546 2.609 -2.141
195 2HB LYS 29 HB1 LYS 29 57.111 2.126 -2.783
196 1HG LYS 29 HG2 LYS 29 56.138 0.718 -4.152
197 2HG LYS 29 HG1 LYS 29 55.419 -0.128 -2.787
198 1HD LYS 29 HD2 LYS 29 54.256 2.300 -4.143
199 2HD LYS 29 HD1 LYS 29 53.717 0.640 -4.390
200 1HE LYS 29 HE2 LYS 29 53.617 0.848 -1.677
201 2HE LYS 29 HE1 LYS 29 53.194 2.489 -2.168
202 1HZ LYS 29 HZ1 LYS 29 51.851 0.001 -3.082
203 2HZ LYS 29 HZ2 LYS 29 51.452 1.566 -3.578
204 3HZ LYS 29 HZ3 LYS 29 51.227 1.110 -1.967
205 H CYS 30 HN CYS 30 58.314 1.160 0.852
206 HA CYS 30 HA CYS 30 60.465 0.454 -0.930
207 1HB CYS 30 HB2 CYS 30 61.956 0.848 0.948
208 2HB CYS 30 HB1 CYS 30 60.863 2.205 0.641
209 H GLN 31 HN GLN 31 61.482 -1.286 -1.148
210 HA GLN 31 HA GLN 31 61.118 -3.510 0.700
211 1HB GLN 31 HB2 GLN 31 60.266 -3.395 -1.989
212 2HB GLN 31 HB1 GLN 31 61.622 -4.506 -1.919
213 1HG GLN 31 HG2 GLN 31 60.518 -5.948 -0.474
214 2HG GLN 31 HG1 GLN 31 59.350 -4.714 -0.001
215 1HE2 GLN 31 1HE2 GLN 31 59.816 -7.418 -1.855
216 2HE2 GLN 31 2HE2 GLN 31 58.497 -7.228 -2.958
217 H PHE 32 HN PHE 32 63.162 -1.560 -1.222
218 HA PHE 32 HA PHE 32 65.480 -2.814 -0.068
219 1HB PHE 32 HB2 PHE 32 64.976 -2.874 -3.019
220 2HB PHE 32 HB1 PHE 32 66.591 -3.002 -2.337
221 HD1 PHE 32 HD1 PHE 32 63.327 -4.620 -2.653
222 HD2 PHE 32 HD2 PHE 32 67.332 -5.013 -1.279
223 HE1 PHE 32 HE1 PHE 32 63.013 -7.058 -2.443
224 HE2 PHE 32 HE2 PHE 32 67.028 -7.450 -1.058
225 HZ PHE 32 HZ PHE 32 64.866 -8.475 -1.643
226 H ALA 33 HN ALA 33 65.521 -1.023 -3.074
227 HA ALA 33 HA ALA 33 67.486 0.660 -2.800
228 1HB ALA 33 HB1 ALA 33 64.799 1.181 -3.949
229 2HB ALA 33 HB2 ALA 33 66.340 0.931 -4.767
230 3HB ALA 33 HB3 ALA 33 66.009 2.461 -3.952
231 H HIS 34 HN HIS 34 68.184 1.532 -0.969
232 HA HIS 34 HA HIS 34 66.842 3.852 0.086
233 1HB HIS 34 HB2 HIS 34 66.751 1.214 1.444
234 2HB HIS 34 HB1 HIS 34 67.157 2.580 2.470
235 HD1 HIS 34 HD1 HIS 34 64.497 2.986 -0.205
236 HD2 HIS 34 HD2 HIS 34 64.975 2.446 3.845
237 HE1 HIS 34 HE1 HIS 34 62.231 3.422 0.874
238 H GLY 35 HN GLY 35 68.567 3.185 2.698
239 1HA GLY 35 HA2 GLY 35 70.695 4.802 2.305
240 2HA GLY 35 HA1 GLY 35 70.666 3.470 3.475
241 H LEU 36 HN LEU 36 71.945 1.792 3.173
242 HA LEU 36 HA LEU 36 73.822 1.874 0.954
243 1HB LEU 36 HB2 LEU 36 74.739 1.628 3.140
244 2HB LEU 36 HB1 LEU 36 73.661 0.302 3.524
245 HG LEU 36 HG LEU 36 75.030 -0.629 1.324
246 1HD1 LEU 36 1HD1 LEU 36 77.184 0.055 1.311
247 2HD1 LEU 36 2HD1 LEU 36 77.215 0.339 3.051
248 3HD1 LEU 36 3HD1 LEU 36 76.477 1.527 1.978
249 1HD2 LEU 36 1HD2 LEU 36 76.145 -2.091 2.928
250 2HD2 LEU 36 2HD2 LEU 36 74.445 -1.877 3.346
251 3HD2 LEU 36 3HD2 LEU 36 75.689 -1.007 4.242
252 H GLY 37 HN GLY 37 72.864 -1.155 2.443
253 1HA GLY 37 HA2 GLY 37 72.033 -3.079 1.576
254 2HA GLY 37 HA1 GLY 37 70.975 -2.047 0.670
255 H GLU 38 HN GLU 38 74.255 -3.248 0.643
256 HA GLU 38 HA GLU 38 74.001 -3.735 -2.258
257 1HB GLU 38 HB2 GLU 38 76.642 -2.982 -1.010
258 2HB GLU 38 HB1 GLU 38 76.183 -2.959 -2.707
259 1HG GLU 38 HG2 GLU 38 74.460 -1.139 -1.770
260 2HG GLU 38 HG1 GLU 38 75.763 -0.937 -0.598
261 H LEU 39 HN LEU 39 73.509 -5.433 0.042
262 HA LEU 39 HA LEU 39 75.769 -7.179 0.365
263 1HB LEU 39 HB2 LEU 39 72.912 -7.816 1.009
264 2HB LEU 39 HB1 LEU 39 74.361 -8.510 1.725
265 HG LEU 39 HG LEU 39 74.212 -5.618 2.021
266 1HD1 LEU 39 1HD1 LEU 39 71.794 -6.266 2.107
267 2HD1 LEU 39 2HD1 LEU 39 72.412 -5.530 3.584
268 3HD1 LEU 39 3HD1 LEU 39 72.178 -7.277 3.499
269 1HD2 LEU 39 1HD2 LEU 39 74.287 -7.493 4.312
270 2HD2 LEU 39 2HD2 LEU 39 75.255 -6.054 3.989
271 3HD2 LEU 39 3HD2 LEU 39 75.624 -7.567 3.164
272 H ARG 40 HN ARG 40 73.570 -6.823 -2.106
273 HA ARG 40 HA ARG 40 74.064 -9.549 -3.072
274 1HB ARG 40 HB2 ARG 40 71.713 -8.287 -4.242
275 2HB ARG 40 HB1 ARG 40 71.893 -9.894 -3.553
276 1HG ARG 40 HG2 ARG 40 71.665 -7.520 -1.749
277 2HG ARG 40 HG1 ARG 40 70.227 -8.204 -2.505
278 1HD ARG 40 HD2 ARG 40 71.382 -10.453 -1.570
279 2HD ARG 40 HD1 ARG 40 71.948 -9.292 -0.371
280 HE ARG 40 HE ARG 40 69.852 -9.292 0.508
281 1HH1 ARG 40 1HH1 ARG 40 69.623 -10.317 -2.818
282 2HH1 ARG 40 2HH1 ARG 40 67.915 -10.582 -2.746
283 1HH2 ARG 40 1HH2 ARG 40 67.600 -9.652 0.604
284 2HH2 ARG 40 2HH2 ARG 40 66.767 -10.212 -0.810
285 H GLN 41 HN GLN 41 75.362 -6.815 -3.434
286 HA GLN 41 HA GLN 41 75.650 -7.055 -6.277
287 1HB GLN 41 HB2 GLN 41 74.633 -4.631 -4.846
288 2HB GLN 41 HB1 GLN 41 75.543 -4.459 -6.351
289 1HG GLN 41 HG2 GLN 41 73.326 -6.414 -6.328
290 2HG GLN 41 HG1 GLN 41 72.902 -4.704 -6.291
291 1HE2 GLN 41 1HE2 GLN 41 71.921 -5.045 -8.352
292 2HE2 GLN 41 2HE2 GLN 41 72.892 -5.052 -9.784
293 H ALA 42 HN ALA 42 76.823 -5.977 -3.200
294 HA ALA 42 HA ALA 42 79.034 -4.514 -3.767
295 1HB ALA 42 HB1 ALA 42 79.160 -4.705 -1.559
296 2HB ALA 42 HB2 ALA 42 79.942 -6.270 -1.798
297 3HB ALA 42 HB3 ALA 42 78.197 -6.184 -1.574
298 H ASN 43 HN ASN 43 80.890 -4.767 -4.805
299 HA ASN 43 HA ASN 43 82.088 -7.393 -5.123
300 1HB ASN 43 HB2 ASN 43 80.605 -6.064 -7.240
301 2HB ASN 43 HB1 ASN 43 82.280 -6.343 -7.704
302 1HD2 ASN 43 1HD2 ASN 43 79.273 -7.824 -6.785
303 2HD2 ASN 43 2HD2 ASN 43 79.674 -9.424 -7.299
Start of MODEL 9
1 H MET 4 HT1 MET 4 73.480 -17.247 -6.396
2 HA MET 4 HA MET 4 71.555 -18.889 -7.851
3 1HB MET 4 HB2 MET 4 71.493 -17.310 -5.270
4 2HB MET 4 HB1 MET 4 70.193 -18.329 -5.872
5 1HG MET 4 HG2 MET 4 71.684 -20.279 -5.719
6 2HG MET 4 HG1 MET 4 72.940 -19.239 -5.049
7 1HE MET 4 HE1 MET 4 72.867 -19.952 -1.824
8 2HE MET 4 HE2 MET 4 73.355 -20.623 -3.381
9 3HE MET 4 HE3 MET 4 72.194 -21.487 -2.371
10 H THR 5 HN THR 5 71.289 -17.623 -9.730
11 HA THR 5 HA THR 5 70.672 -14.827 -9.566
12 HB THR 5 HB THR 5 71.723 -15.579 -11.570
13 HG1 THR 5 HG1 THR 5 70.385 -14.677 -13.010
14 1HG2 THR 5 1HG2 THR 5 70.058 -17.869 -11.311
15 2HG2 THR 5 2HG2 THR 5 71.414 -17.594 -12.408
16 3HG2 THR 5 3HG2 THR 5 69.781 -17.132 -12.890
17 H THR 6 HN THR 6 68.805 -14.059 -8.852
18 HA THR 6 HA THR 6 66.413 -15.740 -8.958
19 HB THR 6 HB THR 6 65.551 -13.637 -7.589
20 HG1 THR 6 HG1 THR 6 67.156 -12.575 -6.548
21 1HG2 THR 6 1HG2 THR 6 66.655 -14.663 -5.501
22 2HG2 THR 6 2HG2 THR 6 67.254 -15.889 -6.619
23 3HG2 THR 6 3HG2 THR 6 65.519 -15.637 -6.433
24 H SER 7 HN SER 7 65.252 -15.568 -10.755
25 HA SER 7 HA SER 7 65.315 -13.316 -12.480
26 1HB SER 7 HB2 SER 7 63.082 -15.309 -12.570
27 2HB SER 7 HB1 SER 7 63.953 -14.544 -13.898
28 HG SER 7 HG SER 7 64.427 -16.846 -13.389
29 H SER 8 HN SER 8 64.057 -11.568 -12.617
30 HA SER 8 HA SER 8 62.499 -9.998 -12.126
31 1HB SER 8 HB2 SER 8 60.821 -12.377 -11.303
32 2HB SER 8 HB1 SER 8 60.219 -10.747 -11.617
33 HG SER 8 HG SER 8 60.106 -12.344 -13.396
34 H ARG 9 HN ARG 9 64.418 -10.766 -10.049
35 HA ARG 9 HA ARG 9 62.963 -10.578 -7.551
36 1HB ARG 9 HB2 ARG 9 65.405 -11.621 -8.190
37 2HB ARG 9 HB1 ARG 9 65.869 -10.063 -7.523
38 1HG ARG 9 HG2 ARG 9 63.909 -11.239 -5.820
39 2HG ARG 9 HG1 ARG 9 65.172 -12.424 -6.142
40 1HD ARG 9 HD2 ARG 9 66.816 -10.542 -5.590
41 2HD ARG 9 HD1 ARG 9 65.425 -9.699 -4.909
42 HE ARG 9 HE ARG 9 65.283 -12.066 -3.678
43 1HH1 ARG 9 1HH1 ARG 9 67.963 -9.883 -4.155
44 2HH1 ARG 9 2HH1 ARG 9 68.766 -10.356 -2.697
45 1HH2 ARG 9 1HH2 ARG 9 66.339 -12.686 -1.760
46 2HH2 ARG 9 2HH2 ARG 9 67.848 -11.947 -1.334
47 H TYR 10 HN TYR 10 63.731 -8.870 -5.950
48 HA TYR 10 HA TYR 10 63.218 -6.319 -7.149
49 1HB TYR 10 HB2 TYR 10 63.247 -7.484 -4.437
50 2HB TYR 10 HB1 TYR 10 63.641 -5.779 -4.550
51 HD1 TYR 10 HD1 TYR 10 61.870 -4.328 -4.258
52 HD2 TYR 10 HD2 TYR 10 61.185 -8.104 -6.100
53 HE1 TYR 10 HE1 TYR 10 59.495 -3.762 -4.505
54 HE2 TYR 10 HE2 TYR 10 58.795 -7.549 -6.344
55 HH TYR 10 HH TYR 10 57.286 -5.122 -4.718
56 H LYS 11 HN LYS 11 64.710 -4.699 -5.385
57 HA LYS 11 HA LYS 11 67.063 -4.482 -6.906
58 1HB LYS 11 HB2 LYS 11 66.598 -2.933 -4.390
59 2HB LYS 11 HB1 LYS 11 67.380 -2.417 -5.879
60 1HG LYS 11 HG2 LYS 11 64.607 -3.160 -6.319
61 2HG LYS 11 HG1 LYS 11 64.778 -1.878 -5.105
62 1HD LYS 11 HD2 LYS 11 65.144 -0.397 -6.708
63 2HD LYS 11 HD1 LYS 11 66.520 -1.329 -7.298
64 1HE LYS 11 HE2 LYS 11 63.668 -1.972 -8.011
65 2HE LYS 11 HE1 LYS 11 64.666 -0.878 -8.965
66 1HZ LYS 11 HZ1 LYS 11 65.482 -3.656 -8.341
67 2HZ LYS 11 HZ2 LYS 11 66.147 -2.613 -9.495
68 3HZ LYS 11 HZ3 LYS 11 64.599 -3.251 -9.726
69 H THR 12 HN THR 12 68.926 -3.565 -5.101
70 HA THR 12 HA THR 12 69.647 -5.992 -3.590
71 HB THR 12 HB THR 12 71.015 -5.921 -5.566
72 HG1 THR 12 HG1 THR 12 72.560 -4.841 -3.455
73 1HG2 THR 12 1HG2 THR 12 70.693 -3.434 -5.965
74 2HG2 THR 12 2HG2 THR 12 72.283 -4.105 -6.317
75 3HG2 THR 12 3HG2 THR 12 72.019 -3.195 -4.830
76 H GLU 13 HN GLU 13 68.324 -3.810 -2.443
77 HA GLU 13 HA GLU 13 70.387 -2.738 -0.734
78 1HB GLU 13 HB2 GLU 13 68.573 -1.360 -2.464
79 2HB GLU 13 HB1 GLU 13 68.359 -0.861 -0.800
80 1HG GLU 13 HG2 GLU 13 70.329 0.209 -0.737
81 2HG GLU 13 HG1 GLU 13 71.129 -1.055 -1.663
82 H LEU 14 HN LEU 14 68.869 -1.343 1.056
83 HA LEU 14 HA LEU 14 66.670 -2.860 2.051
84 1HB LEU 14 HB2 LEU 14 67.879 -3.287 4.290
85 2HB LEU 14 HB1 LEU 14 68.060 -4.421 2.970
86 HG LEU 14 HG LEU 14 70.101 -3.632 4.449
87 1HD1 LEU 14 1HD1 LEU 14 70.065 -5.264 2.570
88 2HD1 LEU 14 2HD1 LEU 14 71.570 -4.353 2.740
89 3HD1 LEU 14 3HD1 LEU 14 70.416 -3.920 1.477
90 1HD2 LEU 14 1HD2 LEU 14 71.373 -1.852 3.525
91 2HD2 LEU 14 2HD2 LEU 14 69.758 -1.237 3.871
92 3HD2 LEU 14 3HD2 LEU 14 70.221 -1.621 2.219
93 H CYS 15 HN CYS 15 65.549 -1.845 3.683
94 HA CYS 15 HA CYS 15 65.908 0.949 3.903
95 1HB CYS 15 HB2 CYS 15 63.690 -0.276 3.894
96 2HB CYS 15 HB1 CYS 15 64.060 -0.841 5.518
97 H ARG 16 HN ARG 16 68.087 1.026 4.847
98 HA ARG 16 HA ARG 16 68.587 -0.145 7.386
99 1HB ARG 16 HB2 ARG 16 70.097 1.449 5.394
100 2HB ARG 16 HB1 ARG 16 70.591 1.658 7.071
101 1HG ARG 16 HG2 ARG 16 70.746 -0.829 7.262
102 2HG ARG 16 HG1 ARG 16 70.497 -0.906 5.520
103 1HD ARG 16 HD2 ARG 16 72.733 -0.798 5.415
104 2HD ARG 16 HD1 ARG 16 72.493 0.925 5.694
105 HE ARG 16 HE ARG 16 72.632 -0.408 8.168
106 1HH1 ARG 16 1HH1 ARG 16 74.661 0.502 5.479
107 2HH1 ARG 16 2HH1 ARG 16 76.102 0.594 6.433
108 1HH2 ARG 16 1HH2 ARG 16 74.529 -0.288 9.428
109 2HH2 ARG 16 2HH2 ARG 16 76.028 0.145 8.676
110 H THR 17 HN THR 17 69.556 3.175 7.030
111 HA THR 17 HA THR 17 68.466 3.865 9.555
112 HB THR 17 HB THR 17 70.591 4.800 8.770
113 HG1 THR 17 HG1 THR 17 70.035 6.341 10.063
114 1HG2 THR 17 1HG2 THR 17 69.524 6.846 7.051
115 2HG2 THR 17 2HG2 THR 17 69.308 5.234 6.372
116 3HG2 THR 17 3HG2 THR 17 70.916 5.788 6.827
117 H TYR 18 HN TYR 18 67.420 3.997 6.356
118 HA TYR 18 HA TYR 18 65.733 6.136 6.127
119 1HB TYR 18 HB2 TYR 18 65.745 3.328 5.084
120 2HB TYR 18 HB1 TYR 18 64.513 4.469 4.586
121 HD1 TYR 18 HD1 TYR 18 64.947 5.022 2.405
122 HD2 TYR 18 HD2 TYR 18 68.176 4.904 5.103
123 HE1 TYR 18 HE1 TYR 18 66.413 5.980 0.679
124 HE2 TYR 18 HE2 TYR 18 69.678 5.820 3.405
125 HH TYR 18 HH TYR 18 68.798 7.417 0.879
126 H SER 19 HN SER 19 65.062 2.905 7.453
127 HA SER 19 HA SER 19 62.374 2.983 7.836
128 1HB SER 19 HB2 SER 19 62.694 1.386 9.672
129 2HB SER 19 HB1 SER 19 63.775 1.023 8.326
130 HG SER 19 HG SER 19 65.376 2.289 9.532
131 H GLU 20 HN GLU 20 64.641 4.983 9.381
132 HA GLU 20 HA GLU 20 62.771 5.683 11.512
133 1HB GLU 20 HB2 GLU 20 65.603 5.534 11.367
134 2HB GLU 20 HB1 GLU 20 65.171 7.218 11.649
135 1HG GLU 20 HG2 GLU 20 63.554 6.164 13.412
136 2HG GLU 20 HG1 GLU 20 64.707 4.828 13.342
137 H SER 21 HN SER 21 62.262 6.301 8.811
138 HA SER 21 HA SER 21 61.345 7.981 7.572
139 1HB SER 21 HB2 SER 21 60.287 8.740 9.617
140 2HB SER 21 HB1 SER 21 61.757 9.580 10.109
141 HG SER 21 HG SER 21 60.765 11.190 9.153
142 H GLY 22 HN GLY 22 64.399 7.618 7.963
143 1HA GLY 22 HA2 GLY 22 65.614 10.099 7.608
144 2HA GLY 22 HA1 GLY 22 66.322 8.559 7.161
145 H ARG 23 HN ARG 23 63.988 8.084 5.350
146 HA ARG 23 HA ARG 23 63.827 10.037 3.364
147 1HB ARG 23 HB2 ARG 23 66.276 9.378 3.231
148 2HB ARG 23 HB1 ARG 23 65.699 7.857 2.588
149 1HG ARG 23 HG2 ARG 23 64.597 10.194 1.242
150 2HG ARG 23 HG1 ARG 23 66.344 10.028 1.096
151 1HD ARG 23 HD2 ARG 23 66.176 7.943 0.032
152 2HD ARG 23 HD1 ARG 23 64.513 7.704 0.559
153 HE ARG 23 HE ARG 23 65.339 8.936 -1.827
154 1HH1 ARG 23 1HH1 ARG 23 63.000 9.330 0.737
155 2HH1 ARG 23 2HH1 ARG 23 61.876 10.197 -0.253
156 1HH2 ARG 23 1HH2 ARG 23 63.859 10.071 -3.129
157 2HH2 ARG 23 2HH2 ARG 23 62.362 10.613 -2.448
158 H CYS 24 HN CYS 24 64.404 6.603 3.368
159 HA CYS 24 HA CYS 24 63.240 4.847 2.508
160 1HB CYS 24 HB2 CYS 24 61.078 6.624 3.470
161 2HB CYS 24 HB1 CYS 24 60.627 5.270 2.444
162 H ARG 25 HN ARG 25 64.202 5.166 0.498
163 HA ARG 25 HA ARG 25 63.438 6.903 -1.489
164 1HB ARG 25 HB2 ARG 25 65.495 5.668 -1.574
165 2HB ARG 25 HB1 ARG 25 64.636 4.155 -1.660
166 1HG ARG 25 HG2 ARG 25 65.108 4.336 -3.848
167 2HG ARG 25 HG1 ARG 25 63.657 5.348 -3.860
168 1HD ARG 25 HD2 ARG 25 65.404 6.519 -5.010
169 2HD ARG 25 HD1 ARG 25 65.123 7.330 -3.467
170 HE ARG 25 HE ARG 25 67.118 5.832 -2.741
171 1HH1 ARG 25 1HH1 ARG 25 66.757 7.425 -5.832
172 2HH1 ARG 25 2HH1 ARG 25 68.462 7.570 -6.089
173 1HH2 ARG 25 1HH2 ARG 25 69.354 6.032 -3.085
174 2HH2 ARG 25 2HH2 ARG 25 69.935 6.782 -4.534
175 H TYR 26 HN TYR 26 61.691 4.255 -0.327
176 HA TYR 26 HA TYR 26 59.645 4.592 -2.403
177 1HB TYR 26 HB2 TYR 26 60.569 1.929 -1.287
178 2HB TYR 26 HB1 TYR 26 59.166 2.150 -2.326
179 HD1 TYR 26 HD1 TYR 26 60.504 4.139 -4.241
180 HD2 TYR 26 HD2 TYR 26 61.753 0.407 -2.622
181 HE1 TYR 26 HE1 TYR 26 61.928 3.767 -6.214
182 HE2 TYR 26 HE2 TYR 26 63.188 0.033 -4.588
183 HH TYR 26 HH TYR 26 64.366 1.672 -6.354
184 H GLY 27 HN GLY 27 59.659 5.916 -0.044
185 1HA GLY 27 HA2 GLY 27 58.767 4.969 2.297
186 2HA GLY 27 HA1 GLY 27 58.092 6.425 1.590
187 H ALA 28 HN ALA 28 57.346 3.597 2.961
188 HA ALA 28 HA ALA 28 55.314 2.644 3.370
189 1HB ALA 28 HB1 ALA 28 54.374 4.880 2.517
190 2HB ALA 28 HB2 ALA 28 53.319 3.467 2.527
191 3HB ALA 28 HB3 ALA 28 54.067 3.998 1.020
192 H LYS 29 HN LYS 29 56.657 2.735 0.210
193 HA LYS 29 HA LYS 29 55.614 0.093 -0.357
194 1HB LYS 29 HB2 LYS 29 55.049 2.173 -1.821
195 2HB LYS 29 HB1 LYS 29 56.659 1.893 -2.469
196 1HG LYS 29 HG2 LYS 29 55.934 0.251 -3.722
197 2HG LYS 29 HG1 LYS 29 55.254 -0.568 -2.322
198 1HD LYS 29 HD2 LYS 29 53.887 1.649 -3.833
199 2HD LYS 29 HD1 LYS 29 53.562 -0.070 -4.067
200 1HE LYS 29 HE2 LYS 29 52.778 -0.287 -1.810
201 2HE LYS 29 HE1 LYS 29 53.283 1.357 -1.427
202 1HZ LYS 29 HZ1 LYS 29 51.415 2.192 -2.273
203 2HZ LYS 29 HZ2 LYS 29 50.802 0.617 -2.227
204 3HZ LYS 29 HZ3 LYS 29 51.477 1.217 -3.656
205 H CYS 30 HN CYS 30 58.133 1.080 1.062
206 HA CYS 30 HA CYS 30 60.187 0.342 -0.819
207 1HB CYS 30 HB2 CYS 30 61.791 0.850 0.904
208 2HB CYS 30 HB1 CYS 30 60.610 2.158 0.728
209 H GLN 31 HN GLN 31 61.106 -1.458 -1.103
210 HA GLN 31 HA GLN 31 61.012 -3.549 0.934
211 1HB GLN 31 HB2 GLN 31 59.982 -3.599 -1.707
212 2HB GLN 31 HB1 GLN 31 61.314 -4.746 -1.609
213 1HG GLN 31 HG2 GLN 31 60.258 -5.984 0.061
214 2HG GLN 31 HG1 GLN 31 59.132 -4.677 0.424
215 1HE2 GLN 31 1HE2 GLN 31 59.572 -7.552 -1.191
216 2HE2 GLN 31 2HE2 GLN 31 58.177 -7.493 -2.225
217 H PHE 32 HN PHE 32 62.775 -1.667 -1.256
218 HA PHE 32 HA PHE 32 65.302 -2.544 -0.270
219 1HB PHE 32 HB2 PHE 32 64.630 -2.954 -3.193
220 2HB PHE 32 HB1 PHE 32 66.243 -3.067 -2.507
221 HD1 PHE 32 HD1 PHE 32 62.966 -4.655 -2.721
222 HD2 PHE 32 HD2 PHE 32 66.951 -4.973 -1.294
223 HE1 PHE 32 HE1 PHE 32 62.632 -7.066 -2.361
224 HE2 PHE 32 HE2 PHE 32 66.629 -7.389 -0.915
225 HZ PHE 32 HZ PHE 32 64.464 -8.435 -1.461
226 H ALA 33 HN ALA 33 66.826 -1.400 -2.381
227 HA ALA 33 HA ALA 33 67.727 0.639 -2.858
228 1HB ALA 33 HB1 ALA 33 65.899 2.157 -3.973
229 2HB ALA 33 HB2 ALA 33 64.932 0.686 -3.861
230 3HB ALA 33 HB3 ALA 33 66.453 0.675 -4.754
231 H HIS 34 HN HIS 34 68.349 1.559 -0.950
232 HA HIS 34 HA HIS 34 66.869 3.862 -0.057
233 1HB HIS 34 HB2 HIS 34 67.005 1.386 1.612
234 2HB HIS 34 HB1 HIS 34 67.211 2.941 2.411
235 HD1 HIS 34 HD1 HIS 34 64.556 2.941 -0.244
236 HD2 HIS 34 HD2 HIS 34 65.050 2.385 3.805
237 HE1 HIS 34 HE1 HIS 34 62.252 3.230 0.837
238 H GLY 35 HN GLY 35 68.777 2.753 2.513
239 1HA GLY 35 HA2 GLY 35 70.751 4.710 2.207
240 2HA GLY 35 HA1 GLY 35 70.763 3.370 3.374
241 H LEU 36 HN LEU 36 72.467 2.144 3.215
242 HA LEU 36 HA LEU 36 74.213 2.172 0.970
243 1HB LEU 36 HB2 LEU 36 75.188 1.804 3.092
244 2HB LEU 36 HB1 LEU 36 74.052 0.527 3.486
245 HG LEU 36 HG LEU 36 75.190 -0.682 1.447
246 1HD1 LEU 36 1HD1 LEU 36 77.230 1.352 2.298
247 2HD1 LEU 36 2HD1 LEU 36 76.593 1.060 0.679
248 3HD1 LEU 36 3HD1 LEU 36 77.636 -0.138 1.445
249 1HD2 LEU 36 1HD2 LEU 36 76.094 -0.421 4.275
250 2HD2 LEU 36 2HD2 LEU 36 76.994 -1.446 3.155
251 3HD2 LEU 36 3HD2 LEU 36 75.287 -1.769 3.472
252 H GLY 37 HN GLY 37 72.735 -0.706 2.437
253 1HA GLY 37 HA2 GLY 37 71.895 -2.615 1.527
254 2HA GLY 37 HA1 GLY 37 71.189 -1.564 0.335
255 H GLU 38 HN GLU 38 73.911 -3.513 1.149
256 HA GLU 38 HA GLU 38 74.378 -4.039 -1.696
257 1HB GLU 38 HB2 GLU 38 76.705 -3.629 0.179
258 2HB GLU 38 HB1 GLU 38 76.732 -3.756 -1.573
259 1HG GLU 38 HG2 GLU 38 75.169 -1.565 -1.221
260 2HG GLU 38 HG1 GLU 38 76.278 -1.435 0.144
261 H LEU 39 HN LEU 39 72.988 -5.520 0.232
262 HA LEU 39 HA LEU 39 74.559 -7.462 1.495
263 1HB LEU 39 HB2 LEU 39 71.711 -7.427 0.611
264 2HB LEU 39 HB1 LEU 39 72.414 -8.882 1.298
265 HG LEU 39 HG LEU 39 72.334 -6.208 2.658
266 1HD1 LEU 39 1HD1 LEU 39 70.722 -8.627 3.412
267 2HD1 LEU 39 2HD1 LEU 39 70.109 -7.415 2.287
268 3HD1 LEU 39 3HD1 LEU 39 70.513 -6.955 3.941
269 1HD2 LEU 39 1HD2 LEU 39 72.789 -8.727 4.141
270 2HD2 LEU 39 2HD2 LEU 39 73.438 -7.111 4.421
271 3HD2 LEU 39 3HD2 LEU 39 74.118 -8.127 3.151
272 H ARG 40 HN ARG 40 72.758 -7.643 -1.468
273 HA ARG 40 HA ARG 40 74.229 -10.012 -2.334
274 1HB ARG 40 HB2 ARG 40 72.523 -10.297 -3.986
275 2HB ARG 40 HB1 ARG 40 71.747 -9.954 -2.445
276 1HG ARG 40 HG2 ARG 40 70.581 -8.421 -3.550
277 2HG ARG 40 HG1 ARG 40 72.065 -7.462 -3.523
278 1HD ARG 40 HD2 ARG 40 72.036 -7.496 -5.750
279 2HD ARG 40 HD1 ARG 40 72.367 -9.221 -5.669
280 HE ARG 40 HE ARG 40 69.761 -7.962 -6.106
281 1HH1 ARG 40 1HH1 ARG 40 71.650 -10.887 -5.793
282 2HH1 ARG 40 2HH1 ARG 40 70.440 -11.889 -6.516
283 1HH2 ARG 40 1HH2 ARG 40 68.176 -9.287 -7.053
284 2HH2 ARG 40 2HH2 ARG 40 68.472 -10.984 -7.229
285 H GLN 41 HN GLN 41 75.614 -7.463 -2.333
286 HA GLN 41 HA GLN 41 76.518 -7.506 -5.040
287 1HB GLN 41 HB2 GLN 41 75.246 -5.060 -3.838
288 2HB GLN 41 HB1 GLN 41 76.393 -4.955 -5.163
289 1HG GLN 41 HG2 GLN 41 74.175 -6.836 -5.572
290 2HG GLN 41 HG1 GLN 41 73.725 -5.136 -5.462
291 1HE2 GLN 41 1HE2 GLN 41 73.279 -6.449 -7.776
292 2HE2 GLN 41 2HE2 GLN 41 74.372 -5.903 -8.998
293 H ALA 42 HN ALA 42 77.341 -7.837 -2.091
294 HA ALA 42 HA ALA 42 79.997 -7.108 -2.406
295 1HB ALA 42 HB1 ALA 42 79.703 -5.448 -0.265
296 2HB ALA 42 HB2 ALA 42 78.277 -5.063 -1.232
297 3HB ALA 42 HB3 ALA 42 79.887 -4.921 -1.939
298 H ASN 43 HN ASN 43 77.376 -7.783 -0.172
299 HA ASN 43 HA ASN 43 79.113 -8.868 1.851
300 1HB ASN 43 HB2 ASN 43 76.245 -8.318 1.551
301 2HB ASN 43 HB1 ASN 43 76.597 -9.774 2.475
302 1HD2 ASN 43 1HD2 ASN 43 77.787 -6.440 2.197
303 2HD2 ASN 43 2HD2 ASN 43 77.918 -6.165 3.897
Start of MODEL 10
1 H MET 4 HT1 MET 4 73.963 -10.601 -14.780
2 HA MET 4 HA MET 4 72.449 -9.827 -12.520
3 1HB MET 4 HB2 MET 4 71.862 -8.556 -15.202
4 2HB MET 4 HB1 MET 4 70.699 -8.647 -13.886
5 1HG MET 4 HG2 MET 4 72.315 -7.376 -12.473
6 2HG MET 4 HG1 MET 4 73.317 -7.167 -13.908
7 1HE MET 4 HE1 MET 4 71.418 -5.686 -11.647
8 2HE MET 4 HE2 MET 4 69.764 -5.582 -12.252
9 3HE MET 4 HE3 MET 4 70.843 -4.193 -12.387
10 H THR 5 HN THR 5 71.588 -11.776 -12.194
11 HA THR 5 HA THR 5 70.626 -13.296 -14.527
12 HB THR 5 HB THR 5 70.734 -15.239 -12.783
13 HG1 THR 5 HG1 THR 5 71.275 -13.672 -11.074
14 1HG2 THR 5 1HG2 THR 5 72.381 -15.862 -14.113
15 2HG2 THR 5 2HG2 THR 5 73.484 -14.850 -13.179
16 3HG2 THR 5 3HG2 THR 5 72.669 -14.190 -14.597
17 H THR 6 HN THR 6 69.650 -11.634 -11.725
18 HA THR 6 HA THR 6 67.234 -13.146 -11.278
19 HB THR 6 HB THR 6 66.773 -10.914 -9.891
20 HG1 THR 6 HG1 THR 6 69.581 -10.947 -9.803
21 1HG2 THR 6 1HG2 THR 6 67.338 -13.308 -9.083
22 2HG2 THR 6 2HG2 THR 6 67.567 -11.943 -7.990
23 3HG2 THR 6 3HG2 THR 6 68.952 -12.648 -8.824
24 H SER 7 HN SER 7 65.580 -13.025 -12.656
25 HA SER 7 HA SER 7 65.076 -10.467 -14.026
26 1HB SER 7 HB2 SER 7 63.851 -13.031 -14.960
27 2HB SER 7 HB1 SER 7 64.332 -11.612 -15.890
28 HG SER 7 HG SER 7 66.557 -12.269 -15.267
29 H SER 8 HN SER 8 64.096 -11.715 -11.331
30 HA SER 8 HA SER 8 61.349 -10.782 -11.640
31 1HB SER 8 HB2 SER 8 61.836 -13.482 -11.658
32 2HB SER 8 HB1 SER 8 61.534 -13.181 -9.947
33 HG SER 8 HG SER 8 59.526 -13.344 -10.598
34 H ARG 9 HN ARG 9 64.017 -11.703 -9.547
35 HA ARG 9 HA ARG 9 62.899 -10.873 -7.098
36 1HB ARG 9 HB2 ARG 9 64.930 -12.304 -7.335
37 2HB ARG 9 HB1 ARG 9 65.816 -10.897 -7.906
38 1HG ARG 9 HG2 ARG 9 66.304 -11.329 -5.581
39 2HG ARG 9 HG1 ARG 9 65.451 -9.796 -5.750
40 1HD ARG 9 HD2 ARG 9 63.913 -10.510 -4.314
41 2HD ARG 9 HD1 ARG 9 63.502 -11.821 -5.416
42 HE ARG 9 HE ARG 9 65.023 -13.231 -4.247
43 1HH1 ARG 9 1HH1 ARG 9 64.526 -10.127 -2.711
44 2HH1 ARG 9 2HH1 ARG 9 65.090 -10.668 -1.169
45 1HH2 ARG 9 1HH2 ARG 9 65.755 -13.933 -2.220
46 2HH2 ARG 9 2HH2 ARG 9 65.782 -12.827 -0.888
47 H TYR 10 HN TYR 10 63.674 -9.052 -5.803
48 HA TYR 10 HA TYR 10 63.417 -6.602 -7.300
49 1HB TYR 10 HB2 TYR 10 63.093 -7.502 -4.514
50 2HB TYR 10 HB1 TYR 10 63.670 -5.856 -4.706
51 HD1 TYR 10 HD1 TYR 10 61.978 -4.280 -4.561
52 HD2 TYR 10 HD2 TYR 10 61.193 -8.028 -6.426
53 HE1 TYR 10 HE1 TYR 10 59.690 -3.535 -5.062
54 HE2 TYR 10 HE2 TYR 10 58.890 -7.293 -6.927
55 HH TYR 10 HH TYR 10 57.879 -4.335 -7.030
56 H LYS 11 HN LYS 11 64.862 -4.918 -5.599
57 HA LYS 11 HA LYS 11 67.379 -5.048 -6.823
58 1HB LYS 11 HB2 LYS 11 66.709 -3.225 -4.543
59 2HB LYS 11 HB1 LYS 11 67.732 -2.915 -5.942
60 1HG LYS 11 HG2 LYS 11 65.237 -3.502 -7.025
61 2HG LYS 11 HG1 LYS 11 64.888 -2.498 -5.607
62 1HD LYS 11 HD2 LYS 11 65.769 -0.658 -6.551
63 2HD LYS 11 HD1 LYS 11 67.107 -1.549 -7.277
64 1HE LYS 11 HE2 LYS 11 65.952 -0.926 -9.159
65 2HE LYS 11 HE1 LYS 11 65.215 -2.493 -8.833
66 1HZ LYS 11 HZ1 LYS 11 64.107 0.192 -8.267
67 2HZ LYS 11 HZ2 LYS 11 63.475 -1.208 -7.564
68 3HZ LYS 11 HZ3 LYS 11 63.452 -1.024 -9.244
69 H THR 12 HN THR 12 69.115 -4.104 -4.925
70 HA THR 12 HA THR 12 69.389 -6.357 -3.053
71 HB THR 12 HB THR 12 70.907 -6.807 -4.828
72 HG1 THR 12 HG1 THR 12 71.696 -6.490 -2.413
73 1HG2 THR 12 1HG2 THR 12 71.470 -5.081 -6.126
74 2HG2 THR 12 2HG2 THR 12 72.811 -4.897 -4.992
75 3HG2 THR 12 3HG2 THR 12 71.354 -3.919 -4.805
76 H GLU 13 HN GLU 13 68.249 -3.987 -2.324
77 HA GLU 13 HA GLU 13 70.262 -2.785 -0.644
78 1HB GLU 13 HB2 GLU 13 68.394 -1.588 -2.521
79 2HB GLU 13 HB1 GLU 13 68.347 -0.868 -0.938
80 1HG GLU 13 HG2 GLU 13 70.388 0.072 -1.134
81 2HG GLU 13 HG1 GLU 13 71.019 -1.270 -2.087
82 H LEU 14 HN LEU 14 68.996 -1.427 1.215
83 HA LEU 14 HA LEU 14 66.592 -2.742 2.110
84 1HB LEU 14 HB2 LEU 14 67.717 -3.115 4.428
85 2HB LEU 14 HB1 LEU 14 67.833 -4.333 3.176
86 HG LEU 14 HG LEU 14 69.912 -3.737 4.595
87 1HD1 LEU 14 1HD1 LEU 14 71.380 -4.303 2.783
88 2HD1 LEU 14 2HD1 LEU 14 70.163 -3.835 1.600
89 3HD1 LEU 14 3HD1 LEU 14 69.885 -5.227 2.643
90 1HD2 LEU 14 1HD2 LEU 14 71.227 -1.918 3.935
91 2HD2 LEU 14 2HD2 LEU 14 69.600 -1.268 4.110
92 3HD2 LEU 14 3HD2 LEU 14 70.243 -1.610 2.511
93 H CYS 15 HN CYS 15 65.581 -1.761 3.882
94 HA CYS 15 HA CYS 15 65.940 1.046 4.001
95 1HB CYS 15 HB2 CYS 15 63.700 -0.169 4.041
96 2HB CYS 15 HB1 CYS 15 64.076 -0.651 5.692
97 H ARG 16 HN ARG 16 68.082 1.209 4.915
98 HA ARG 16 HA ARG 16 68.650 0.064 7.455
99 1HB ARG 16 HB2 ARG 16 70.083 1.685 5.423
100 2HB ARG 16 HB1 ARG 16 70.622 1.872 7.087
101 1HG ARG 16 HG2 ARG 16 70.958 -0.531 7.275
102 2HG ARG 16 HG1 ARG 16 70.423 -0.732 5.611
103 1HD ARG 16 HD2 ARG 16 72.853 -0.741 5.759
104 2HD ARG 16 HD1 ARG 16 72.278 0.651 4.841
105 HE ARG 16 HE ARG 16 72.507 1.640 7.338
106 1HH1 ARG 16 1HH1 ARG 16 74.687 -0.160 5.314
107 2HH1 ARG 16 2HH1 ARG 16 76.111 0.564 5.977
108 1HH2 ARG 16 1HH2 ARG 16 74.378 2.597 8.224
109 2HH2 ARG 16 2HH2 ARG 16 75.936 2.125 7.634
110 H THR 17 HN THR 17 69.625 3.359 7.061
111 HA THR 17 HA THR 17 68.569 4.114 9.571
112 HB THR 17 HB THR 17 70.662 5.053 8.705
113 HG1 THR 17 HG1 THR 17 69.950 6.486 10.094
114 1HG2 THR 17 1HG2 THR 17 69.226 6.885 6.876
115 2HG2 THR 17 2HG2 THR 17 69.609 5.260 6.303
116 3HG2 THR 17 3HG2 THR 17 70.902 6.330 6.850
117 H TYR 18 HN TYR 18 67.427 4.155 6.387
118 HA TYR 18 HA TYR 18 65.694 6.265 6.205
119 1HB TYR 18 HB2 TYR 18 65.690 3.458 5.140
120 2HB TYR 18 HB1 TYR 18 64.471 4.623 4.680
121 HD1 TYR 18 HD1 TYR 18 64.914 4.994 2.424
122 HD2 TYR 18 HD2 TYR 18 68.101 5.227 5.198
123 HE1 TYR 18 HE1 TYR 18 66.340 5.960 0.691
124 HE2 TYR 18 HE2 TYR 18 69.567 6.137 3.466
125 HH TYR 18 HH TYR 18 69.519 7.194 1.398
126 H SER 19 HN SER 19 65.083 2.992 7.441
127 HA SER 19 HA SER 19 62.408 3.111 7.963
128 1HB SER 19 HB2 SER 19 64.388 1.297 8.419
129 2HB SER 19 HB1 SER 19 63.971 1.767 10.065
130 HG SER 19 HG SER 19 61.797 1.293 8.445
131 H GLU 20 HN GLU 20 64.802 4.965 9.455
132 HA GLU 20 HA GLU 20 63.232 5.454 11.844
133 1HB GLU 20 HB2 GLU 20 65.981 5.416 11.310
134 2HB GLU 20 HB1 GLU 20 65.585 7.106 11.610
135 1HG GLU 20 HG2 GLU 20 64.211 5.885 13.582
136 2HG GLU 20 HG1 GLU 20 65.616 4.818 13.427
137 H SER 21 HN SER 21 62.304 6.223 9.260
138 HA SER 21 HA SER 21 61.072 7.926 8.374
139 1HB SER 21 HB2 SER 21 61.911 9.779 10.582
140 2HB SER 21 HB1 SER 21 60.366 9.678 9.738
141 HG SER 21 HG SER 21 59.900 8.675 11.572
142 H GLY 22 HN GLY 22 64.143 7.654 8.110
143 1HA GLY 22 HA2 GLY 22 65.219 10.192 7.698
144 2HA GLY 22 HA1 GLY 22 65.824 8.715 6.978
145 H ARG 23 HN ARG 23 65.136 8.118 4.973
146 HA ARG 23 HA ARG 23 63.862 10.231 3.386
147 1HB ARG 23 HB2 ARG 23 66.244 9.793 2.894
148 2HB ARG 23 HB1 ARG 23 65.812 8.154 2.482
149 1HG ARG 23 HG2 ARG 23 64.145 9.826 0.956
150 2HG ARG 23 HG1 ARG 23 65.782 10.477 0.839
151 1HD ARG 23 HD2 ARG 23 66.393 7.933 0.476
152 2HD ARG 23 HD1 ARG 23 64.718 7.836 -0.050
153 HE ARG 23 HE ARG 23 65.223 9.214 -1.874
154 1HH1 ARG 23 1HH1 ARG 23 68.022 8.720 0.159
155 2HH1 ARG 23 2HH1 ARG 23 69.150 9.176 -1.072
156 1HH2 ARG 23 1HH2 ARG 23 66.710 9.807 -3.494
157 2HH2 ARG 23 2HH2 ARG 23 68.406 9.800 -3.142
158 H CYS 24 HN CYS 24 64.515 6.839 3.186
159 HA CYS 24 HA CYS 24 63.311 5.034 2.506
160 1HB CYS 24 HB2 CYS 24 61.173 6.839 3.469
161 2HB CYS 24 HB1 CYS 24 60.675 5.502 2.441
162 H ARG 25 HN ARG 25 64.278 5.295 0.479
163 HA ARG 25 HA ARG 25 63.515 6.965 -1.563
164 1HB ARG 25 HB2 ARG 25 65.578 5.725 -1.620
165 2HB ARG 25 HB1 ARG 25 64.707 4.210 -1.697
166 1HG ARG 25 HG2 ARG 25 65.564 4.709 -3.872
167 2HG ARG 25 HG1 ARG 25 63.805 4.888 -3.908
168 1HD ARG 25 HD2 ARG 25 64.343 7.387 -3.368
169 2HD ARG 25 HD1 ARG 25 65.936 6.982 -4.004
170 HE ARG 25 HE ARG 25 63.500 7.286 -5.500
171 1HH1 ARG 25 1HH1 ARG 25 66.668 5.825 -5.439
172 2HH1 ARG 25 2HH1 ARG 25 66.779 5.692 -7.161
173 1HH2 ARG 25 1HH2 ARG 25 63.643 7.106 -7.770
174 2HH2 ARG 25 2HH2 ARG 25 65.065 6.423 -8.484
175 H TYR 26 HN TYR 26 61.767 4.334 -0.369
176 HA TYR 26 HA TYR 26 59.775 4.605 -2.500
177 1HB TYR 26 HB2 TYR 26 60.845 2.000 -1.396
178 2HB TYR 26 HB1 TYR 26 59.348 2.118 -2.311
179 HD1 TYR 26 HD1 TYR 26 60.376 4.157 -4.359
180 HD2 TYR 26 HD2 TYR 26 62.013 0.542 -2.827
181 HE1 TYR 26 HE1 TYR 26 61.634 3.845 -6.451
182 HE2 TYR 26 HE2 TYR 26 63.280 0.230 -4.907
183 HH TYR 26 HH TYR 26 62.635 1.663 -7.691
184 H GLY 27 HN GLY 27 59.601 5.968 -0.229
185 1HA GLY 27 HA2 GLY 27 58.694 5.044 2.118
186 2HA GLY 27 HA1 GLY 27 57.939 6.419 1.332
187 H ALA 28 HN ALA 28 57.280 3.671 2.829
188 HA ALA 28 HA ALA 28 55.375 2.486 3.133
189 1HB ALA 28 HB1 ALA 28 53.323 3.059 1.884
190 2HB ALA 28 HB2 ALA 28 54.259 4.215 0.939
191 3HB ALA 28 HB3 ALA 28 54.068 4.445 2.677
192 H LYS 29 HN LYS 29 56.912 2.640 0.106
193 HA LYS 29 HA LYS 29 55.905 0.020 -0.598
194 1HB LYS 29 HB2 LYS 29 55.416 2.174 -2.040
195 2HB LYS 29 HB1 LYS 29 57.030 1.834 -2.653
196 1HG LYS 29 HG2 LYS 29 56.251 0.249 -3.951
197 2HG LYS 29 HG1 LYS 29 55.513 -0.565 -2.577
198 1HD LYS 29 HD2 LYS 29 54.212 1.816 -3.844
199 2HD LYS 29 HD1 LYS 29 53.977 0.196 -4.502
200 1HE LYS 29 HE2 LYS 29 53.615 0.437 -1.595
201 2HE LYS 29 HE1 LYS 29 52.437 1.315 -2.569
202 1HZ LYS 29 HZ1 LYS 29 52.750 -1.214 -3.703
203 2HZ LYS 29 HZ2 LYS 29 51.390 -0.586 -2.914
204 3HZ LYS 29 HZ3 LYS 29 52.556 -1.439 -2.037
205 H CYS 30 HN CYS 30 58.395 1.152 0.913
206 HA CYS 30 HA CYS 30 60.535 0.409 -0.849
207 1HB CYS 30 HB2 CYS 30 62.037 0.859 1.013
208 2HB CYS 30 HB1 CYS 30 60.915 2.192 0.707
209 H GLN 31 HN GLN 31 61.583 -1.323 -1.051
210 HA GLN 31 HA GLN 31 61.277 -3.513 0.855
211 1HB GLN 31 HB2 GLN 31 60.346 -3.404 -1.808
212 2HB GLN 31 HB1 GLN 31 61.672 -4.557 -1.756
213 1HG GLN 31 HG2 GLN 31 60.234 -5.271 0.432
214 2HG GLN 31 HG1 GLN 31 58.971 -4.728 -0.675
215 1HE2 GLN 31 1HE2 GLN 31 59.753 -5.482 -3.078
216 2HE2 GLN 31 2HE2 GLN 31 59.977 -7.203 -3.180
217 H PHE 32 HN PHE 32 63.258 -1.561 -1.091
218 HA PHE 32 HA PHE 32 65.628 -2.870 -0.120
219 1HB PHE 32 HB2 PHE 32 64.932 -2.840 -3.040
220 2HB PHE 32 HB1 PHE 32 66.573 -3.076 -2.452
221 HD1 PHE 32 HD1 PHE 32 63.243 -4.507 -2.737
222 HD2 PHE 32 HD2 PHE 32 67.217 -5.102 -1.368
223 HE1 PHE 32 HE1 PHE 32 62.805 -6.929 -2.546
224 HE2 PHE 32 HE2 PHE 32 66.800 -7.521 -1.160
225 HZ PHE 32 HZ PHE 32 64.590 -8.439 -1.753
226 H ALA 33 HN ALA 33 65.418 -0.979 -3.085
227 HA ALA 33 HA ALA 33 67.473 0.666 -2.847
228 1HB ALA 33 HB1 ALA 33 65.915 0.704 -4.738
229 2HB ALA 33 HB2 ALA 33 66.331 2.329 -4.192
230 3HB ALA 33 HB3 ALA 33 64.772 1.627 -3.763
231 H HIS 34 HN HIS 34 68.239 1.700 -1.121
232 HA HIS 34 HA HIS 34 66.823 3.916 0.025
233 1HB HIS 34 HB2 HIS 34 66.831 1.269 1.366
234 2HB HIS 34 HB1 HIS 34 67.231 2.634 2.393
235 HD1 HIS 34 HD1 HIS 34 64.517 3.021 -0.221
236 HD2 HIS 34 HD2 HIS 34 65.079 2.465 3.821
237 HE1 HIS 34 HE1 HIS 34 62.267 3.427 0.900
238 H GLY 35 HN GLY 35 68.637 3.193 2.625
239 1HA GLY 35 HA2 GLY 35 70.714 4.919 2.211
240 2HA GLY 35 HA1 GLY 35 70.719 3.597 3.395
241 H LEU 36 HN LEU 36 72.224 2.099 3.170
242 HA LEU 36 HA LEU 36 74.046 2.179 0.963
243 1HB LEU 36 HB2 LEU 36 74.902 1.729 3.162
244 2HB LEU 36 HB1 LEU 36 73.812 0.372 3.372
245 HG LEU 36 HG LEU 36 75.182 -0.376 1.142
246 1HD1 LEU 36 1HD1 LEU 36 77.114 1.093 2.924
247 2HD1 LEU 36 2HD1 LEU 36 76.699 1.500 1.260
248 3HD1 LEU 36 3HD1 LEU 36 77.563 0.003 1.612
249 1HD2 LEU 36 1HD2 LEU 36 75.210 -1.044 3.988
250 2HD2 LEU 36 2HD2 LEU 36 76.675 -1.503 3.126
251 3HD2 LEU 36 3HD2 LEU 36 75.108 -2.093 2.577
252 H GLY 37 HN GLY 37 72.682 -0.813 2.284
253 1HA GLY 37 HA2 GLY 37 71.602 -2.558 1.310
254 2HA GLY 37 HA1 GLY 37 71.108 -1.446 0.061
255 H GLU 38 HN GLU 38 73.302 -3.862 1.016
256 HA GLU 38 HA GLU 38 74.287 -4.120 -1.743
257 1HB GLU 38 HB2 GLU 38 76.107 -4.401 0.645
258 2HB GLU 38 HB1 GLU 38 76.557 -4.363 -1.052
259 1HG GLU 38 HG2 GLU 38 75.329 -1.981 -0.817
260 2HG GLU 38 HG1 GLU 38 75.994 -2.167 0.802
261 H LEU 39 HN LEU 39 72.277 -5.567 -0.195
262 HA LEU 39 HA LEU 39 72.995 -7.874 1.027
263 1HB LEU 39 HB2 LEU 39 70.869 -7.696 -1.097
264 2HB LEU 39 HB1 LEU 39 70.970 -8.917 0.159
265 HG LEU 39 HG LEU 39 70.916 -6.164 1.163
266 1HD1 LEU 39 1HD1 LEU 39 69.319 -5.492 -0.282
267 2HD1 LEU 39 2HD1 LEU 39 68.269 -6.418 0.791
268 3HD1 LEU 39 3HD1 LEU 39 68.857 -7.140 -0.706
269 1HD2 LEU 39 1HD2 LEU 39 70.708 -8.449 2.380
270 2HD2 LEU 39 2HD2 LEU 39 69.026 -8.375 1.859
271 3HD2 LEU 39 3HD2 LEU 39 69.686 -7.105 2.886
272 H ARG 40 HN ARG 40 73.331 -7.184 -2.321
273 HA ARG 40 HA ARG 40 74.653 -9.772 -2.728
274 1HB ARG 40 HB2 ARG 40 73.857 -9.916 -4.935
275 2HB ARG 40 HB1 ARG 40 72.467 -9.418 -3.983
276 1HG ARG 40 HG2 ARG 40 72.178 -7.795 -5.445
277 2HG ARG 40 HG1 ARG 40 73.623 -7.038 -4.776
278 1HD ARG 40 HD2 ARG 40 74.840 -8.670 -6.441
279 2HD ARG 40 HD1 ARG 40 73.287 -8.641 -7.269
280 HE ARG 40 HE ARG 40 75.139 -6.407 -6.939
281 1HH1 ARG 40 1HH1 ARG 40 72.061 -7.564 -8.138
282 2HH1 ARG 40 2HH1 ARG 40 71.821 -6.201 -9.179
283 1HH2 ARG 40 1HH2 ARG 40 74.813 -4.617 -8.306
284 2HH2 ARG 40 2HH2 ARG 40 73.377 -4.527 -9.271
285 H GLN 41 HN GLN 41 76.022 -7.616 -1.693
286 HA GLN 41 HA GLN 41 78.066 -7.315 -3.650
287 1HB GLN 41 HB2 GLN 41 76.476 -4.949 -2.701
288 2HB GLN 41 HB1 GLN 41 78.105 -4.787 -3.330
289 1HG GLN 41 HG2 GLN 41 75.815 -5.998 -4.854
290 2HG GLN 41 HG1 GLN 41 76.286 -4.305 -4.958
291 1HE2 GLN 41 1HE2 GLN 41 77.154 -4.043 -6.893
292 2HE2 GLN 41 2HE2 GLN 41 78.401 -5.021 -7.580
293 H ALA 42 HN ALA 42 77.906 -8.555 -1.123
294 HA ALA 42 HA ALA 42 79.261 -8.859 0.689
295 1HB ALA 42 HB1 ALA 42 80.757 -6.333 0.266
296 2HB ALA 42 HB2 ALA 42 80.915 -7.600 -0.950
297 3HB ALA 42 HB3 ALA 42 81.339 -7.931 0.729
298 H ASN 43 HN ASN 43 79.054 -8.375 2.819
299 HA ASN 43 HA ASN 43 77.200 -6.282 3.503
300 1HB ASN 43 HB2 ASN 43 77.507 -7.199 5.842
301 2HB ASN 43 HB1 ASN 43 76.907 -8.350 4.655
302 1HD2 ASN 43 1HD2 ASN 43 77.685 -9.853 6.347
303 2HD2 ASN 43 2HD2 ASN 43 79.333 -10.367 6.273
Start of MODEL 11
1 H MET 4 HT1 MET 4 68.204 -8.842 -16.172
2 HA MET 4 HA MET 4 69.150 -10.314 -18.530
3 1HB MET 4 HB2 MET 4 70.022 -7.815 -17.067
4 2HB MET 4 HB1 MET 4 70.951 -8.569 -18.356
5 1HG MET 4 HG2 MET 4 68.239 -8.147 -19.198
6 2HG MET 4 HG1 MET 4 68.939 -6.646 -18.593
7 1HE MET 4 HE1 MET 4 68.243 -6.804 -21.977
8 2HE MET 4 HE2 MET 4 68.034 -8.424 -21.310
9 3HE MET 4 HE3 MET 4 69.167 -8.154 -22.635
10 H THR 5 HN THR 5 69.818 -9.449 -15.152
11 HA THR 5 HA THR 5 71.701 -11.713 -15.041
12 HB THR 5 HB THR 5 73.090 -10.517 -13.518
13 HG1 THR 5 HG1 THR 5 70.951 -8.684 -13.426
14 1HG2 THR 5 1HG2 THR 5 73.994 -9.563 -15.304
15 2HG2 THR 5 2HG2 THR 5 73.073 -8.126 -14.862
16 3HG2 THR 5 3HG2 THR 5 72.420 -9.259 -16.044
17 H THR 6 HN THR 6 69.176 -9.898 -13.410
18 HA THR 6 HA THR 6 68.543 -12.224 -11.805
19 HB THR 6 HB THR 6 68.390 -10.382 -9.821
20 HG1 THR 6 HG1 THR 6 70.512 -9.326 -9.930
21 1HG2 THR 6 1HG2 THR 6 70.379 -12.424 -10.542
22 2HG2 THR 6 2HG2 THR 6 69.454 -12.204 -9.056
23 3HG2 THR 6 3HG2 THR 6 70.891 -11.226 -9.352
24 H SER 7 HN SER 7 66.856 -11.778 -13.559
25 HA SER 7 HA SER 7 65.045 -9.614 -13.209
26 1HB SER 7 HB2 SER 7 64.069 -12.094 -14.509
27 2HB SER 7 HB1 SER 7 63.991 -10.422 -15.065
28 HG SER 7 HG SER 7 65.648 -10.878 -16.256
29 H SER 8 HN SER 8 62.637 -10.100 -12.894
30 HA SER 8 HA SER 8 60.913 -10.751 -11.569
31 1HB SER 8 HB2 SER 8 62.634 -13.139 -11.602
32 2HB SER 8 HB1 SER 8 61.567 -13.026 -10.203
33 HG SER 8 HG SER 8 60.531 -12.543 -12.767
34 H ARG 9 HN ARG 9 63.859 -11.697 -9.781
35 HA ARG 9 HA ARG 9 62.907 -10.940 -7.264
36 1HB ARG 9 HB2 ARG 9 64.874 -12.396 -7.632
37 2HB ARG 9 HB1 ARG 9 65.775 -11.008 -8.223
38 1HG ARG 9 HG2 ARG 9 66.387 -11.489 -5.940
39 2HG ARG 9 HG1 ARG 9 65.548 -9.939 -6.025
40 1HD ARG 9 HD2 ARG 9 64.784 -11.245 -4.114
41 2HD ARG 9 HD1 ARG 9 63.486 -11.013 -5.279
42 HE ARG 9 HE ARG 9 65.013 -13.515 -4.974
43 1HH1 ARG 9 1HH1 ARG 9 62.048 -11.821 -5.735
44 2HH1 ARG 9 2HH1 ARG 9 61.144 -13.273 -5.990
45 1HH2 ARG 9 1HH2 ARG 9 63.816 -15.415 -5.307
46 2HH2 ARG 9 2HH2 ARG 9 62.143 -15.309 -5.746
47 H TYR 10 HN TYR 10 63.565 -9.166 -5.915
48 HA TYR 10 HA TYR 10 63.369 -6.655 -7.304
49 1HB TYR 10 HB2 TYR 10 63.101 -7.657 -4.537
50 2HB TYR 10 HB1 TYR 10 63.621 -5.990 -4.706
51 HD1 TYR 10 HD1 TYR 10 61.879 -4.479 -4.482
52 HD2 TYR 10 HD2 TYR 10 61.183 -8.194 -6.430
53 HE1 TYR 10 HE1 TYR 10 59.559 -3.799 -4.923
54 HE2 TYR 10 HE2 TYR 10 58.852 -7.529 -6.876
55 HH TYR 10 HH TYR 10 57.232 -5.395 -5.388
56 H LYS 11 HN LYS 11 64.814 -5.021 -5.579
57 HA LYS 11 HA LYS 11 67.352 -5.172 -6.770
58 1HB LYS 11 HB2 LYS 11 66.674 -3.372 -4.472
59 2HB LYS 11 HB1 LYS 11 67.748 -3.066 -5.833
60 1HG LYS 11 HG2 LYS 11 65.257 -3.542 -6.988
61 2HG LYS 11 HG1 LYS 11 64.925 -2.539 -5.562
62 1HD LYS 11 HD2 LYS 11 65.319 -0.961 -7.207
63 2HD LYS 11 HD1 LYS 11 66.899 -1.101 -6.431
64 1HE LYS 11 HE2 LYS 11 67.240 -2.963 -8.269
65 2HE LYS 11 HE1 LYS 11 65.997 -2.036 -9.107
66 1HZ LYS 11 HZ1 LYS 11 68.654 -1.502 -9.144
67 2HZ LYS 11 HZ2 LYS 11 68.080 -0.396 -8.001
68 3HZ LYS 11 HZ3 LYS 11 67.431 -0.411 -9.564
69 H THR 12 HN THR 12 69.081 -4.307 -4.864
70 HA THR 12 HA THR 12 69.325 -6.632 -3.069
71 HB THR 12 HB THR 12 70.983 -6.840 -4.750
72 HG1 THR 12 HG1 THR 12 72.891 -5.880 -3.283
73 1HG2 THR 12 1HG2 THR 12 72.568 -5.112 -5.345
74 2HG2 THR 12 2HG2 THR 12 71.787 -3.990 -4.231
75 3HG2 THR 12 3HG2 THR 12 70.918 -4.571 -5.651
76 H GLU 13 HN GLU 13 68.415 -3.636 -2.803
77 HA GLU 13 HA GLU 13 70.257 -2.804 -0.764
78 1HB GLU 13 HB2 GLU 13 68.428 -1.475 -2.577
79 2HB GLU 13 HB1 GLU 13 68.347 -0.866 -0.943
80 1HG GLU 13 HG2 GLU 13 70.527 -0.117 -0.950
81 2HG GLU 13 HG1 GLU 13 70.985 -1.185 -2.274
82 H LEU 14 HN LEU 14 68.675 -1.292 0.895
83 HA LEU 14 HA LEU 14 66.413 -2.687 1.873
84 1HB LEU 14 HB2 LEU 14 67.491 -3.223 4.119
85 2HB LEU 14 HB1 LEU 14 67.759 -4.324 2.783
86 HG LEU 14 HG LEU 14 69.684 -3.511 4.450
87 1HD1 LEU 14 1HD1 LEU 14 69.923 -4.188 1.538
88 2HD1 LEU 14 2HD1 LEU 14 70.037 -5.266 2.926
89 3HD1 LEU 14 3HD1 LEU 14 71.305 -4.080 2.626
90 1HD2 LEU 14 1HD2 LEU 14 69.961 -1.603 2.142
91 2HD2 LEU 14 2HD2 LEU 14 71.070 -1.812 3.488
92 3HD2 LEU 14 3HD2 LEU 14 69.463 -1.150 3.765
93 H CYS 15 HN CYS 15 65.433 -1.718 3.684
94 HA CYS 15 HA CYS 15 65.855 1.069 3.858
95 1HB CYS 15 HB2 CYS 15 63.613 -0.137 3.984
96 2HB CYS 15 HB1 CYS 15 64.060 -0.633 5.611
97 H ARG 16 HN ARG 16 68.067 1.132 4.666
98 HA ARG 16 HA ARG 16 68.754 -0.081 7.124
99 1HB ARG 16 HB2 ARG 16 70.078 1.631 5.100
100 2HB ARG 16 HB1 ARG 16 70.668 1.812 6.749
101 1HG ARG 16 HG2 ARG 16 70.974 -0.650 6.865
102 2HG ARG 16 HG1 ARG 16 70.572 -0.719 5.153
103 1HD ARG 16 HD2 ARG 16 72.811 -0.542 4.916
104 2HD ARG 16 HD1 ARG 16 72.460 1.177 5.085
105 HE ARG 16 HE ARG 16 73.296 1.120 7.271
106 1HH1 ARG 16 1HH1 ARG 16 73.482 -2.017 5.739
107 2HH1 ARG 16 2HH1 ARG 16 74.601 -2.650 6.897
108 1HH2 ARG 16 1HH2 ARG 16 74.762 0.281 8.790
109 2HH2 ARG 16 2HH2 ARG 16 75.326 -1.349 8.628
110 H THR 17 HN THR 17 69.621 3.265 6.834
111 HA THR 17 HA THR 17 68.651 3.848 9.442
112 HB THR 17 HB THR 17 70.753 4.813 8.556
113 HG1 THR 17 HG1 THR 17 70.284 6.982 9.239
114 1HG2 THR 17 1HG2 THR 17 70.378 5.319 6.310
115 2HG2 THR 17 2HG2 THR 17 70.465 6.888 7.111
116 3HG2 THR 17 3HG2 THR 17 68.899 6.210 6.666
117 H TYR 18 HN TYR 18 67.530 4.160 6.262
118 HA TYR 18 HA TYR 18 65.815 6.266 6.187
119 1HB TYR 18 HB2 TYR 18 65.786 3.498 5.040
120 2HB TYR 18 HB1 TYR 18 64.547 4.664 4.625
121 HD1 TYR 18 HD1 TYR 18 64.962 5.097 2.383
122 HD2 TYR 18 HD2 TYR 18 68.199 5.267 5.105
123 HE1 TYR 18 HE1 TYR 18 66.365 6.087 0.638
124 HE2 TYR 18 HE2 TYR 18 69.635 6.208 3.361
125 HH TYR 18 HH TYR 18 69.724 6.284 0.882
126 H SER 19 HN SER 19 65.149 2.969 7.348
127 HA SER 19 HA SER 19 62.479 3.101 7.873
128 1HB SER 19 HB2 SER 19 64.687 1.434 8.697
129 2HB SER 19 HB1 SER 19 63.513 1.611 10.001
130 HG SER 19 HG SER 19 61.910 1.090 8.293
131 H GLU 20 HN GLU 20 64.795 5.029 9.370
132 HA GLU 20 HA GLU 20 63.194 5.404 11.779
133 1HB GLU 20 HB2 GLU 20 65.998 5.618 11.163
134 2HB GLU 20 HB1 GLU 20 65.409 7.134 11.845
135 1HG GLU 20 HG2 GLU 20 65.060 6.245 13.865
136 2HG GLU 20 HG1 GLU 20 64.478 4.715 13.196
137 H SER 21 HN SER 21 62.253 6.196 9.247
138 HA SER 21 HA SER 21 61.020 7.890 8.341
139 1HB SER 21 HB2 SER 21 61.650 9.914 10.390
140 2HB SER 21 HB1 SER 21 60.088 9.369 9.779
141 HG SER 21 HG SER 21 60.134 8.608 11.808
142 H GLY 22 HN GLY 22 64.114 7.707 8.205
143 1HA GLY 22 HA2 GLY 22 65.137 10.270 7.832
144 2HA GLY 22 HA1 GLY 22 65.807 8.806 7.137
145 H ARG 23 HN ARG 23 65.217 8.204 5.102
146 HA ARG 23 HA ARG 23 64.009 10.310 3.460
147 1HB ARG 23 HB2 ARG 23 66.409 9.730 3.056
148 2HB ARG 23 HB1 ARG 23 65.870 8.138 2.582
149 1HG ARG 23 HG2 ARG 23 64.660 10.445 1.189
150 2HG ARG 23 HG1 ARG 23 66.338 10.047 0.820
151 1HD ARG 23 HD2 ARG 23 65.664 8.388 -0.506
152 2HD ARG 23 HD1 ARG 23 64.838 7.624 0.847
153 HE ARG 23 HE ARG 23 62.836 8.614 0.168
154 1HH1 ARG 23 1HH1 ARG 23 65.489 9.574 -1.898
155 2HH1 ARG 23 2HH1 ARG 23 64.455 10.192 -3.141
156 1HH2 ARG 23 1HH2 ARG 23 61.485 9.426 -1.466
157 2HH2 ARG 23 2HH2 ARG 23 62.184 10.111 -2.895
158 H CYS 24 HN CYS 24 64.575 6.901 3.247
159 HA CYS 24 HA CYS 24 63.327 5.130 2.589
160 1HB CYS 24 HB2 CYS 24 61.278 6.949 3.672
161 2HB CYS 24 HB1 CYS 24 60.704 5.684 2.604
162 H ARG 25 HN ARG 25 64.210 5.408 0.498
163 HA ARG 25 HA ARG 25 63.318 7.033 -1.525
164 1HB ARG 25 HB2 ARG 25 65.355 5.774 -1.716
165 2HB ARG 25 HB1 ARG 25 64.478 4.269 -1.631
166 1HG ARG 25 HG2 ARG 25 64.740 4.294 -3.861
167 2HG ARG 25 HG1 ARG 25 63.322 5.350 -3.816
168 1HD ARG 25 HD2 ARG 25 64.513 7.166 -4.411
169 2HD ARG 25 HD1 ARG 25 65.886 6.719 -3.402
170 HE ARG 25 HE ARG 25 66.830 5.615 -5.195
171 1HH1 ARG 25 1HH1 ARG 25 63.575 6.596 -5.994
172 2HH1 ARG 25 2HH1 ARG 25 63.757 6.266 -7.682
173 1HH2 ARG 25 1HH2 ARG 25 67.069 5.181 -7.416
174 2HH2 ARG 25 2HH2 ARG 25 65.739 5.462 -8.490
175 H TYR 26 HN TYR 26 61.712 4.404 -0.161
176 HA TYR 26 HA TYR 26 59.422 4.752 -1.925
177 1HB TYR 26 HB2 TYR 26 60.640 2.070 -1.219
178 2HB TYR 26 HB1 TYR 26 59.061 2.263 -1.964
179 HD1 TYR 26 HD1 TYR 26 59.963 4.505 -3.902
180 HD2 TYR 26 HD2 TYR 26 61.593 0.703 -2.898
181 HE1 TYR 26 HE1 TYR 26 61.000 4.368 -6.125
182 HE2 TYR 26 HE2 TYR 26 62.643 0.564 -5.116
183 HH TYR 26 HH TYR 26 62.824 1.501 -7.141
184 H GLY 27 HN GLY 27 59.538 5.962 0.356
185 1HA GLY 27 HA2 GLY 27 59.234 4.957 2.807
186 2HA GLY 27 HA1 GLY 27 58.202 6.249 2.243
187 H ALA 28 HN ALA 28 56.717 4.488 0.363
188 HA ALA 28 HA ALA 28 55.205 3.003 2.403
189 1HB ALA 28 HB1 ALA 28 53.471 3.287 0.310
190 2HB ALA 28 HB2 ALA 28 54.381 4.794 0.258
191 3HB ALA 28 HB3 ALA 28 53.538 4.325 1.734
192 H LYS 29 HN LYS 29 57.005 2.677 -0.444
193 HA LYS 29 HA LYS 29 56.087 -0.048 -0.803
194 1HB LYS 29 HB2 LYS 29 55.625 1.823 -2.567
195 2HB LYS 29 HB1 LYS 29 57.287 1.491 -3.027
196 1HG LYS 29 HG2 LYS 29 56.679 -0.302 -4.117
197 2HG LYS 29 HG1 LYS 29 55.905 -0.953 -2.678
198 1HD LYS 29 HD2 LYS 29 54.609 1.045 -4.521
199 2HD LYS 29 HD1 LYS 29 54.373 -0.700 -4.645
200 1HE LYS 29 HE2 LYS 29 53.456 -0.757 -2.396
201 2HE LYS 29 HE1 LYS 29 53.756 0.969 -2.210
202 1HZ LYS 29 HZ1 LYS 29 51.659 -0.402 -3.695
203 2HZ LYS 29 HZ2 LYS 29 52.280 1.007 -4.395
204 3HZ LYS 29 HZ3 LYS 29 51.606 1.061 -2.845
205 H CYS 30 HN CYS 30 58.390 1.094 0.777
206 HA CYS 30 HA CYS 30 60.662 0.368 -0.824
207 1HB CYS 30 HB2 CYS 30 62.072 0.922 1.049
208 2HB CYS 30 HB1 CYS 30 60.918 2.210 0.684
209 H GLN 31 HN GLN 31 61.642 -1.377 -1.010
210 HA GLN 31 HA GLN 31 61.410 -3.503 0.976
211 1HB GLN 31 HB2 GLN 31 60.421 -3.482 -1.684
212 2HB GLN 31 HB1 GLN 31 61.712 -4.670 -1.575
213 1HG GLN 31 HG2 GLN 31 60.298 -5.256 0.643
214 2HG GLN 31 HG1 GLN 31 59.019 -4.666 -0.420
215 1HE2 GLN 31 1HE2 GLN 31 59.685 -5.512 -2.844
216 2HE2 GLN 31 2HE2 GLN 31 59.788 -7.245 -2.907
217 H PHE 32 HN PHE 32 63.319 -1.575 -1.041
218 HA PHE 32 HA PHE 32 65.731 -2.834 -0.139
219 1HB PHE 32 HB2 PHE 32 64.981 -2.828 -3.050
220 2HB PHE 32 HB1 PHE 32 66.625 -3.066 -2.478
221 HD1 PHE 32 HD1 PHE 32 63.287 -4.498 -2.726
222 HD2 PHE 32 HD2 PHE 32 67.288 -5.113 -1.434
223 HE1 PHE 32 HE1 PHE 32 62.856 -6.922 -2.570
224 HE2 PHE 32 HE2 PHE 32 66.871 -7.538 -1.264
225 HZ PHE 32 HZ PHE 32 64.652 -8.444 -1.837
226 H ALA 33 HN ALA 33 65.282 -0.957 -3.096
227 HA ALA 33 HA ALA 33 67.295 0.765 -2.993
228 1HB ALA 33 HB1 ALA 33 64.517 1.096 -3.973
229 2HB ALA 33 HB2 ALA 33 66.042 1.096 -4.861
230 3HB ALA 33 HB3 ALA 33 65.558 2.519 -3.939
231 H HIS 34 HN HIS 34 68.123 1.809 -1.307
232 HA HIS 34 HA HIS 34 66.742 3.997 -0.095
233 1HB HIS 34 HB2 HIS 34 66.730 1.337 1.201
234 2HB HIS 34 HB1 HIS 34 67.212 2.657 2.248
235 HD1 HIS 34 HD1 HIS 34 64.415 3.171 -0.255
236 HD2 HIS 34 HD2 HIS 34 65.094 2.537 3.755
237 HE1 HIS 34 HE1 HIS 34 62.214 3.600 0.947
238 H GLY 35 HN GLY 35 68.578 3.330 2.455
239 1HA GLY 35 HA2 GLY 35 70.690 4.987 1.973
240 2HA GLY 35 HA1 GLY 35 70.666 3.706 3.200
241 H LEU 36 HN LEU 36 72.146 2.213 3.047
242 HA LEU 36 HA LEU 36 73.964 2.144 0.837
243 1HB LEU 36 HB2 LEU 36 74.821 1.852 3.054
244 2HB LEU 36 HB1 LEU 36 73.713 0.531 3.373
245 HG LEU 36 HG LEU 36 75.165 -0.284 1.142
246 1HD1 LEU 36 1HD1 LEU 36 77.005 1.014 1.211
247 2HD1 LEU 36 2HD1 LEU 36 77.490 -0.108 2.481
248 3HD1 LEU 36 3HD1 LEU 36 76.768 1.444 2.905
249 1HD2 LEU 36 1HD2 LEU 36 75.095 -0.979 4.040
250 2HD2 LEU 36 2HD2 LEU 36 76.301 -1.738 3.000
251 3HD2 LEU 36 3HD2 LEU 36 74.584 -1.927 2.642
252 H GLY 37 HN GLY 37 72.572 -0.726 2.377
253 1HA GLY 37 HA2 GLY 37 71.612 -2.602 1.528
254 2HA GLY 37 HA1 GLY 37 70.959 -1.572 0.287
255 H GLU 38 HN GLU 38 73.531 -3.677 1.188
256 HA GLU 38 HA GLU 38 74.194 -4.015 -1.657
257 1HB GLU 38 HB2 GLU 38 76.285 -4.153 0.504
258 2HB GLU 38 HB1 GLU 38 76.520 -4.089 -1.235
259 1HG GLU 38 HG2 GLU 38 75.221 -1.769 -0.852
260 2HG GLU 38 HG1 GLU 38 76.063 -1.923 0.690
261 H LEU 39 HN LEU 39 72.455 -5.528 0.129
262 HA LEU 39 HA LEU 39 73.326 -7.774 1.308
263 1HB LEU 39 HB2 LEU 39 71.091 -7.691 -0.703
264 2HB LEU 39 HB1 LEU 39 71.314 -8.938 0.512
265 HG LEU 39 HG LEU 39 71.151 -6.150 1.474
266 1HD1 LEU 39 1HD1 LEU 39 69.366 -6.451 -0.323
267 2HD1 LEU 39 2HD1 LEU 39 68.824 -5.937 1.275
268 3HD1 LEU 39 3HD1 LEU 39 68.628 -7.617 0.775
269 1HD2 LEU 39 1HD2 LEU 39 70.541 -7.118 3.420
270 2HD2 LEU 39 2HD2 LEU 39 71.315 -8.529 2.700
271 3HD2 LEU 39 3HD2 LEU 39 69.561 -8.349 2.627
272 H ARG 40 HN ARG 40 73.426 -7.215 -2.094
273 HA ARG 40 HA ARG 40 74.892 -9.738 -2.449
274 1HB ARG 40 HB2 ARG 40 73.892 -10.142 -4.527
275 2HB ARG 40 HB1 ARG 40 72.568 -9.654 -3.479
276 1HG ARG 40 HG2 ARG 40 72.013 -8.163 -4.999
277 2HG ARG 40 HG1 ARG 40 73.499 -7.291 -4.617
278 1HD ARG 40 HD2 ARG 40 74.612 -8.923 -6.269
279 2HD ARG 40 HD1 ARG 40 72.972 -9.266 -6.813
280 HE ARG 40 HE ARG 40 73.377 -6.483 -6.781
281 1HH1 ARG 40 1HH1 ARG 40 74.367 -9.321 -8.555
282 2HH1 ARG 40 2HH1 ARG 40 74.619 -8.460 -10.036
283 1HH2 ARG 40 1HH2 ARG 40 73.704 -5.349 -8.730
284 2HH2 ARG 40 2HH2 ARG 40 74.242 -6.206 -10.136
285 H GLN 41 HN GLN 41 76.017 -7.189 -1.810
286 HA GLN 41 HA GLN 41 77.987 -7.065 -3.845
287 1HB GLN 41 HB2 GLN 41 76.116 -4.742 -3.422
288 2HB GLN 41 HB1 GLN 41 77.717 -4.544 -4.122
289 1HG GLN 41 HG2 GLN 41 75.594 -6.343 -5.259
290 2HG GLN 41 HG1 GLN 41 75.867 -4.681 -5.774
291 1HE2 GLN 41 1HE2 GLN 41 78.118 -4.188 -6.481
292 2HE2 GLN 41 2HE2 GLN 41 78.936 -5.388 -7.418
293 H ALA 42 HN ALA 42 78.672 -7.868 -1.540
294 HA ALA 42 HA ALA 42 79.040 -6.001 0.505
295 1HB ALA 42 HB1 ALA 42 79.626 -8.747 0.064
296 2HB ALA 42 HB2 ALA 42 79.524 -7.866 1.588
297 3HB ALA 42 HB3 ALA 42 81.060 -7.958 0.724
298 H ASN 43 HN ASN 43 80.547 -6.137 -2.482
299 HA ASN 43 HA ASN 43 82.211 -3.979 -2.073
300 1HB ASN 43 HB2 ASN 43 83.324 -6.225 -0.844
301 2HB ASN 43 HB1 ASN 43 84.205 -6.074 -2.361
302 1HD2 ASN 43 1HD2 ASN 43 86.010 -5.642 -0.914
303 2HD2 ASN 43 2HD2 ASN 43 86.260 -4.029 -0.350
Start of MODEL 12
1 H MET 4 HT1 MET 4 63.449 -24.476 -8.986
2 HA MET 4 HA MET 4 62.570 -22.633 -11.074
3 1HB MET 4 HB2 MET 4 60.907 -23.031 -9.073
4 2HB MET 4 HB1 MET 4 62.080 -22.084 -8.170
5 1HG MET 4 HG2 MET 4 61.709 -20.177 -9.459
6 2HG MET 4 HG1 MET 4 60.921 -21.089 -10.748
7 1HE MET 4 HE1 MET 4 57.903 -20.613 -10.734
8 2HE MET 4 HE2 MET 4 59.290 -19.562 -11.017
9 3HE MET 4 HE3 MET 4 58.013 -19.057 -9.911
10 H THR 5 HN THR 5 64.624 -22.010 -11.613
11 HA THR 5 HA THR 5 66.587 -21.514 -9.525
12 HB THR 5 HB THR 5 67.743 -20.596 -11.839
13 HG1 THR 5 HG1 THR 5 66.022 -22.743 -12.519
14 1HG2 THR 5 1HG2 THR 5 68.223 -23.340 -11.905
15 2HG2 THR 5 2HG2 THR 5 67.959 -22.943 -10.206
16 3HG2 THR 5 3HG2 THR 5 69.199 -22.094 -11.129
17 H THR 6 HN THR 6 67.401 -19.536 -8.947
18 HA THR 6 HA THR 6 65.696 -17.263 -9.516
19 HB THR 6 HB THR 6 66.841 -16.159 -7.733
20 HG1 THR 6 HG1 THR 6 68.885 -17.827 -8.425
21 1HG2 THR 6 1HG2 THR 6 65.364 -18.202 -7.185
22 2HG2 THR 6 2HG2 THR 6 66.368 -17.492 -5.922
23 3HG2 THR 6 3HG2 THR 6 66.890 -18.966 -6.737
24 H SER 7 HN SER 7 66.266 -15.451 -10.626
25 HA SER 7 HA SER 7 68.975 -15.036 -11.528
26 1HB SER 7 HB2 SER 7 66.806 -15.540 -13.579
27 2HB SER 7 HB1 SER 7 68.486 -15.125 -13.913
28 HG SER 7 HG SER 7 67.414 -17.521 -12.895
29 H SER 8 HN SER 8 65.591 -14.154 -12.196
30 HA SER 8 HA SER 8 66.356 -11.340 -12.400
31 1HB SER 8 HB2 SER 8 64.303 -10.962 -13.459
32 2HB SER 8 HB1 SER 8 64.724 -12.583 -14.007
33 HG SER 8 HG SER 8 63.428 -13.190 -11.988
34 H ARG 9 HN ARG 9 66.732 -12.274 -9.869
35 HA ARG 9 HA ARG 9 64.536 -12.084 -8.129
36 1HB ARG 9 HB2 ARG 9 67.120 -12.766 -7.793
37 2HB ARG 9 HB1 ARG 9 67.175 -11.129 -7.156
38 1HG ARG 9 HG2 ARG 9 64.911 -12.301 -6.010
39 2HG ARG 9 HG1 ARG 9 66.173 -13.529 -5.940
40 1HD ARG 9 HD2 ARG 9 67.395 -11.108 -5.204
41 2HD ARG 9 HD1 ARG 9 65.847 -11.151 -4.355
42 HE ARG 9 HE ARG 9 66.664 -12.839 -3.045
43 1HH1 ARG 9 1HH1 ARG 9 68.693 -12.545 -5.872
44 2HH1 ARG 9 2HH1 ARG 9 69.869 -13.682 -5.300
45 1HH2 ARG 9 1HH2 ARG 9 68.212 -14.327 -2.289
46 2HH2 ARG 9 2HH2 ARG 9 69.598 -14.691 -3.260
47 H TYR 10 HN TYR 10 64.696 -10.286 -6.296
48 HA TYR 10 HA TYR 10 63.941 -7.847 -7.580
49 1HB TYR 10 HB2 TYR 10 63.897 -8.999 -4.859
50 2HB TYR 10 HB1 TYR 10 63.920 -7.247 -4.962
51 HD1 TYR 10 HD1 TYR 10 61.787 -6.354 -4.708
52 HD2 TYR 10 HD2 TYR 10 62.293 -9.963 -6.890
53 HE1 TYR 10 HE1 TYR 10 59.380 -6.380 -5.199
54 HE2 TYR 10 HE2 TYR 10 59.885 -10.005 -7.395
55 HH TYR 10 HH TYR 10 57.756 -7.351 -6.442
56 H LYS 11 HN LYS 11 64.853 -5.944 -5.782
57 HA LYS 11 HA LYS 11 67.336 -5.323 -6.903
58 1HB LYS 11 HB2 LYS 11 66.425 -3.932 -4.434
59 2HB LYS 11 HB1 LYS 11 67.169 -3.273 -5.877
60 1HG LYS 11 HG2 LYS 11 65.035 -3.710 -7.096
61 2HG LYS 11 HG1 LYS 11 64.317 -4.171 -5.541
62 1HD LYS 11 HD2 LYS 11 63.958 -2.039 -5.027
63 2HD LYS 11 HD1 LYS 11 65.666 -1.661 -5.254
64 1HE LYS 11 HE2 LYS 11 64.572 -1.927 -7.828
65 2HE LYS 11 HE1 LYS 11 63.408 -0.984 -6.898
66 1HZ LYS 11 HZ1 LYS 11 65.765 0.129 -6.200
67 2HZ LYS 11 HZ2 LYS 11 64.729 0.728 -7.398
68 3HZ LYS 11 HZ3 LYS 11 66.034 -0.262 -7.822
69 H THR 12 HN THR 12 68.760 -4.184 -4.825
70 HA THR 12 HA THR 12 69.556 -6.462 -3.150
71 HB THR 12 HB THR 12 71.031 -6.525 -5.052
72 HG1 THR 12 HG1 THR 12 72.983 -5.492 -3.686
73 1HG2 THR 12 1HG2 THR 12 70.669 -3.838 -5.276
74 2HG2 THR 12 2HG2 THR 12 71.905 -4.768 -6.123
75 3HG2 THR 12 3HG2 THR 12 72.303 -3.927 -4.623
76 H GLU 13 HN GLU 13 68.140 -3.978 -2.509
77 HA GLU 13 HA GLU 13 70.061 -2.794 -0.698
78 1HB GLU 13 HB2 GLU 13 68.270 -1.598 -2.631
79 2HB GLU 13 HB1 GLU 13 68.109 -0.917 -1.029
80 1HG GLU 13 HG2 GLU 13 70.123 0.076 -1.085
81 2HG GLU 13 HG1 GLU 13 70.860 -1.247 -1.987
82 H LEU 14 HN LEU 14 68.443 -1.289 0.910
83 HA LEU 14 HA LEU 14 66.135 -2.672 1.810
84 1HB LEU 14 HB2 LEU 14 67.242 -3.169 4.106
85 2HB LEU 14 HB1 LEU 14 67.363 -4.319 2.791
86 HG LEU 14 HG LEU 14 69.454 -3.728 4.271
87 1HD1 LEU 14 1HD1 LEU 14 70.364 -3.733 1.530
88 2HD1 LEU 14 2HD1 LEU 14 69.075 -4.895 1.806
89 3HD1 LEU 14 3HD1 LEU 14 70.536 -4.947 2.787
90 1HD2 LEU 14 1HD2 LEU 14 70.661 -1.984 2.531
91 2HD2 LEU 14 2HD2 LEU 14 70.106 -1.618 4.141
92 3HD2 LEU 14 3HD2 LEU 14 69.084 -1.277 2.768
93 H CYS 15 HN CYS 15 65.165 -1.750 3.702
94 HA CYS 15 HA CYS 15 65.568 1.044 3.876
95 1HB CYS 15 HB2 CYS 15 63.317 -0.166 4.015
96 2HB CYS 15 HB1 CYS 15 63.774 -0.628 5.654
97 H ARG 16 HN ARG 16 67.762 1.135 4.695
98 HA ARG 16 HA ARG 16 68.446 -0.105 7.148
99 1HB ARG 16 HB2 ARG 16 69.770 1.588 5.110
100 2HB ARG 16 HB1 ARG 16 70.393 1.742 6.749
101 1HG ARG 16 HG2 ARG 16 69.992 -0.943 5.535
102 2HG ARG 16 HG1 ARG 16 71.448 -0.004 5.207
103 1HD ARG 16 HD2 ARG 16 70.910 0.016 8.014
104 2HD ARG 16 HD1 ARG 16 70.872 -1.647 7.431
105 HE ARG 16 HE ARG 16 73.144 -0.209 6.465
106 1HH1 ARG 16 1HH1 ARG 16 71.870 -1.961 9.199
107 2HH1 ARG 16 2HH1 ARG 16 73.431 -2.386 9.816
108 1HH2 ARG 16 1HH2 ARG 16 75.203 -0.782 7.265
109 2HH2 ARG 16 2HH2 ARG 16 75.324 -1.720 8.717
110 H THR 17 HN THR 17 69.395 3.209 6.871
111 HA THR 17 HA THR 17 68.429 3.827 9.469
112 HB THR 17 HB THR 17 70.561 4.727 8.612
113 HG1 THR 17 HG1 THR 17 68.620 6.728 9.135
114 1HG2 THR 17 1HG2 THR 17 68.817 6.318 6.744
115 2HG2 THR 17 2HG2 THR 17 70.021 5.109 6.293
116 3HG2 THR 17 3HG2 THR 17 70.526 6.622 7.047
117 H TYR 18 HN TYR 18 67.354 4.145 6.289
118 HA TYR 18 HA TYR 18 65.713 6.325 6.179
119 1HB TYR 18 HB2 TYR 18 65.649 3.549 5.059
120 2HB TYR 18 HB1 TYR 18 64.431 4.726 4.610
121 HD1 TYR 18 HD1 TYR 18 64.876 5.137 2.400
122 HD2 TYR 18 HD2 TYR 18 68.092 5.276 5.150
123 HE1 TYR 18 HE1 TYR 18 66.318 6.066 0.651
124 HE2 TYR 18 HE2 TYR 18 69.559 6.168 3.407
125 HH TYR 18 HH TYR 18 69.205 5.951 0.402
126 H SER 19 HN SER 19 64.971 3.050 7.347
127 HA SER 19 HA SER 19 62.293 3.202 7.806
128 1HB SER 19 HB2 SER 19 63.599 1.149 8.081
129 2HB SER 19 HB1 SER 19 64.354 1.816 9.527
130 HG SER 19 HG SER 19 61.725 1.983 9.841
131 H GLU 20 HN GLU 20 64.683 5.002 9.407
132 HA GLU 20 HA GLU 20 62.919 5.582 11.664
133 1HB GLU 20 HB2 GLU 20 65.736 5.312 11.413
134 2HB GLU 20 HB1 GLU 20 65.398 6.978 11.868
135 1HG GLU 20 HG2 GLU 20 63.810 5.908 13.601
136 2HG GLU 20 HG1 GLU 20 64.776 4.457 13.321
137 H SER 21 HN SER 21 62.330 6.470 9.071
138 HA SER 21 HA SER 21 61.470 8.319 8.029
139 1HB SER 21 HB2 SER 21 61.094 8.877 10.640
140 2HB SER 21 HB1 SER 21 62.190 10.193 10.216
141 HG SER 21 HG SER 21 59.930 9.614 8.627
142 H GLY 22 HN GLY 22 64.502 7.692 8.303
143 1HA GLY 22 HA2 GLY 22 65.856 10.124 8.023
144 2HA GLY 22 HA1 GLY 22 66.490 8.546 7.586
145 H ARG 23 HN ARG 23 63.961 8.395 5.778
146 HA ARG 23 HA ARG 23 64.060 10.292 3.779
147 1HB ARG 23 HB2 ARG 23 66.436 9.497 3.710
148 2HB ARG 23 HB1 ARG 23 65.796 7.998 3.092
149 1HG ARG 23 HG2 ARG 23 64.992 10.470 1.721
150 2HG ARG 23 HG1 ARG 23 66.653 9.914 1.498
151 1HD ARG 23 HD2 ARG 23 65.941 8.420 0.000
152 2HD ARG 23 HD1 ARG 23 64.948 7.659 1.239
153 HE ARG 23 HE ARG 23 63.100 8.709 0.373
154 1HH1 ARG 23 1HH1 ARG 23 65.983 10.055 -1.054
155 2HH1 ARG 23 2HH1 ARG 23 65.113 11.024 -2.194
156 1HH2 ARG 23 1HH2 ARG 23 61.958 9.985 -1.110
157 2HH2 ARG 23 2HH2 ARG 23 62.825 10.984 -2.227
158 H CYS 24 HN CYS 24 64.458 6.862 3.449
159 HA CYS 24 HA CYS 24 63.189 5.194 2.637
160 1HB CYS 24 HB2 CYS 24 61.148 6.999 3.743
161 2HB CYS 24 HB1 CYS 24 60.585 5.777 2.615
162 H ARG 25 HN ARG 25 64.194 5.633 0.657
163 HA ARG 25 HA ARG 25 63.403 7.375 -1.319
164 1HB ARG 25 HB2 ARG 25 65.485 6.094 -1.319
165 2HB ARG 25 HB1 ARG 25 64.585 4.625 -1.614
166 1HG ARG 25 HG2 ARG 25 65.384 5.160 -3.708
167 2HG ARG 25 HG1 ARG 25 63.752 5.846 -3.741
168 1HD ARG 25 HD2 ARG 25 64.956 7.625 -4.534
169 2HD ARG 25 HD1 ARG 25 64.990 7.970 -2.808
170 HE ARG 25 HE ARG 25 67.238 7.153 -2.735
171 1HH1 ARG 25 1HH1 ARG 25 65.944 7.549 -5.960
172 2HH1 ARG 25 2HH1 ARG 25 67.503 7.597 -6.706
173 1HH2 ARG 25 1HH2 ARG 25 69.279 7.225 -3.722
174 2HH2 ARG 25 2HH2 ARG 25 69.396 7.413 -5.440
175 H TYR 26 HN TYR 26 61.726 4.668 -0.207
176 HA TYR 26 HA TYR 26 59.663 5.013 -2.235
177 1HB TYR 26 HB2 TYR 26 60.856 2.333 -1.459
178 2HB TYR 26 HB1 TYR 26 59.344 2.522 -2.339
179 HD1 TYR 26 HD1 TYR 26 60.106 4.700 -4.224
180 HD2 TYR 26 HD2 TYR 26 62.221 1.224 -2.999
181 HE1 TYR 26 HE1 TYR 26 61.307 4.685 -6.370
182 HE2 TYR 26 HE2 TYR 26 63.426 1.190 -5.135
183 HH TYR 26 HH TYR 26 62.695 2.311 -7.688
184 H GLY 27 HN GLY 27 59.615 6.085 0.252
185 1HA GLY 27 HA2 GLY 27 58.833 4.832 2.483
186 2HA GLY 27 HA1 GLY 27 58.020 6.283 1.930
187 H ALA 28 HN ALA 28 57.391 3.450 3.161
188 HA ALA 28 HA ALA 28 55.508 2.216 3.378
189 1HB ALA 28 HB1 ALA 28 54.511 4.409 1.677
190 2HB ALA 28 HB2 ALA 28 53.902 3.796 3.212
191 3HB ALA 28 HB3 ALA 28 53.554 2.929 1.718
192 H LYS 29 HN LYS 29 56.884 2.700 0.260
193 HA LYS 29 HA LYS 29 55.892 0.120 -0.594
194 1HB LYS 29 HB2 LYS 29 55.448 2.368 -1.882
195 2HB LYS 29 HB1 LYS 29 57.074 2.082 -2.485
196 1HG LYS 29 HG2 LYS 29 56.464 0.295 -3.713
197 2HG LYS 29 HG1 LYS 29 55.179 -0.167 -2.595
198 1HD LYS 29 HD2 LYS 29 54.372 0.668 -4.812
199 2HD LYS 29 HD1 LYS 29 53.739 1.550 -3.420
200 1HE LYS 29 HE2 LYS 29 55.671 3.179 -3.786
201 2HE LYS 29 HE1 LYS 29 55.873 2.395 -5.354
202 1HZ LYS 29 HZ1 LYS 29 54.469 4.391 -5.457
203 2HZ LYS 29 HZ2 LYS 29 53.355 3.657 -4.415
204 3HZ LYS 29 HZ3 LYS 29 53.641 3.004 -5.949
205 H CYS 30 HN CYS 30 58.516 1.388 0.790
206 HA CYS 30 HA CYS 30 60.556 0.618 -0.983
207 1HB CYS 30 HB2 CYS 30 62.055 0.784 1.023
208 2HB CYS 30 HB1 CYS 30 61.134 2.231 0.585
209 H GLN 31 HN GLN 31 61.374 -1.209 -1.467
210 HA GLN 31 HA GLN 31 61.004 -3.528 0.262
211 1HB GLN 31 HB2 GLN 31 61.546 -4.611 -2.128
212 2HB GLN 31 HB1 GLN 31 59.907 -4.251 -1.602
213 1HG GLN 31 HG2 GLN 31 59.747 -2.394 -2.978
214 2HG GLN 31 HG1 GLN 31 61.494 -2.229 -3.135
215 1HE2 GLN 31 1HE2 GLN 31 62.590 -3.461 -4.621
216 2HE2 GLN 31 2HE2 GLN 31 61.789 -4.376 -5.861
217 H PHE 32 HN PHE 32 63.143 -1.448 -1.400
218 HA PHE 32 HA PHE 32 65.441 -2.685 -0.203
219 1HB PHE 32 HB2 PHE 32 65.166 -2.666 -3.207
220 2HB PHE 32 HB1 PHE 32 66.663 -2.982 -2.349
221 HD1 PHE 32 HD1 PHE 32 63.285 -4.231 -3.049
222 HD2 PHE 32 HD2 PHE 32 67.122 -5.132 -1.453
223 HE1 PHE 32 HE1 PHE 32 62.718 -6.626 -3.034
224 HE2 PHE 32 HE2 PHE 32 66.562 -7.527 -1.430
225 HZ PHE 32 HZ PHE 32 64.360 -8.281 -2.231
226 H ALA 33 HN ALA 33 65.436 -0.858 -3.214
227 HA ALA 33 HA ALA 33 67.348 0.892 -2.985
228 1HB ALA 33 HB1 ALA 33 64.958 0.855 -4.412
229 2HB ALA 33 HB2 ALA 33 66.381 1.842 -4.736
230 3HB ALA 33 HB3 ALA 33 65.072 2.480 -3.737
231 H HIS 34 HN HIS 34 68.106 1.797 -1.174
232 HA HIS 34 HA HIS 34 66.723 4.024 -0.018
233 1HB HIS 34 HB2 HIS 34 66.638 1.362 1.247
234 2HB HIS 34 HB1 HIS 34 67.132 2.657 2.325
235 HD1 HIS 34 HD1 HIS 34 64.423 3.311 -0.233
236 HD2 HIS 34 HD2 HIS 34 64.961 2.572 3.786
237 HE1 HIS 34 HE1 HIS 34 62.195 3.767 0.911
238 H GLY 35 HN GLY 35 68.474 3.391 2.562
239 1HA GLY 35 HA2 GLY 35 70.549 5.063 2.203
240 2HA GLY 35 HA1 GLY 35 70.575 3.684 3.322
241 H LEU 36 HN LEU 36 71.674 1.902 2.826
242 HA LEU 36 HA LEU 36 73.557 2.142 0.593
243 1HB LEU 36 HB2 LEU 36 74.620 2.052 2.711
244 2HB LEU 36 HB1 LEU 36 73.623 0.709 3.235
245 HG LEU 36 HG LEU 36 74.900 -0.272 0.994
246 1HD1 LEU 36 1HD1 LEU 36 76.912 0.622 0.721
247 2HD1 LEU 36 2HD1 LEU 36 77.232 0.621 2.456
248 3HD1 LEU 36 3HD1 LEU 36 76.349 1.960 1.721
249 1HD2 LEU 36 1HD2 LEU 36 75.499 -1.900 2.426
250 2HD2 LEU 36 2HD2 LEU 36 74.488 -1.016 3.569
251 3HD2 LEU 36 3HD2 LEU 36 76.238 -0.768 3.560
252 H GLY 37 HN GLY 37 72.691 -0.795 2.345
253 1HA GLY 37 HA2 GLY 37 71.873 -2.800 1.654
254 2HA GLY 37 HA1 GLY 37 70.969 -1.904 0.459
255 H GLU 38 HN GLU 38 73.856 -3.612 1.172
256 HA GLU 38 HA GLU 38 74.225 -4.119 -1.688
257 1HB GLU 38 HB2 GLU 38 76.681 -3.640 -0.031
258 2HB GLU 38 HB1 GLU 38 76.481 -3.563 -1.773
259 1HG GLU 38 HG2 GLU 38 74.903 -1.530 -1.090
260 2HG GLU 38 HG1 GLU 38 76.009 -1.511 0.283
261 H LEU 39 HN LEU 39 73.004 -5.752 0.245
262 HA LEU 39 HA LEU 39 74.936 -7.627 1.257
263 1HB LEU 39 HB2 LEU 39 71.979 -8.057 0.934
264 2HB LEU 39 HB1 LEU 39 73.072 -9.013 1.917
265 HG LEU 39 HG LEU 39 72.841 -6.109 2.462
266 1HD1 LEU 39 1HD1 LEU 39 70.513 -6.926 2.256
267 2HD1 LEU 39 2HD1 LEU 39 70.918 -6.476 3.913
268 3HD1 LEU 39 3HD1 LEU 39 70.867 -8.177 3.445
269 1HD2 LEU 39 1HD2 LEU 39 73.746 -8.548 3.835
270 2HD2 LEU 39 2HD2 LEU 39 72.893 -7.378 4.842
271 3HD2 LEU 39 3HD2 LEU 39 74.335 -6.890 3.953
272 H ARG 40 HN ARG 40 73.471 -7.113 -1.731
273 HA ARG 40 HA ARG 40 74.426 -9.701 -2.697
274 1HB ARG 40 HB2 ARG 40 72.338 -9.231 -4.396
275 2HB ARG 40 HB1 ARG 40 72.300 -10.326 -3.029
276 1HG ARG 40 HG2 ARG 40 71.669 -7.671 -2.144
277 2HG ARG 40 HG1 ARG 40 70.655 -8.109 -3.516
278 1HD ARG 40 HD2 ARG 40 69.854 -10.054 -2.405
279 2HD ARG 40 HD1 ARG 40 71.051 -9.889 -1.123
280 HE ARG 40 HE ARG 40 69.209 -7.674 -1.384
281 1HH1 ARG 40 1HH1 ARG 40 69.880 -10.721 0.190
282 2HH1 ARG 40 2HH1 ARG 40 68.843 -10.393 1.536
283 1HH2 ARG 40 1HH2 ARG 40 67.851 -7.246 0.389
284 2HH2 ARG 40 2HH2 ARG 40 67.689 -8.424 1.648
285 H GLN 41 HN GLN 41 75.997 -7.526 -2.851
286 HA GLN 41 HA GLN 41 76.281 -7.233 -5.669
287 1HB GLN 41 HB2 GLN 41 75.689 -4.869 -3.898
288 2HB GLN 41 HB1 GLN 41 76.550 -4.691 -5.425
289 1HG GLN 41 HG2 GLN 41 73.953 -6.125 -5.425
290 2HG GLN 41 HG1 GLN 41 73.959 -4.373 -5.252
291 1HE2 GLN 41 1HE2 GLN 41 75.616 -6.823 -7.215
292 2HE2 GLN 41 2HE2 GLN 41 75.450 -5.978 -8.709
293 H ALA 42 HN ALA 42 77.447 -5.524 -2.793
294 HA ALA 42 HA ALA 42 79.505 -5.285 -1.882
295 1HB ALA 42 HB1 ALA 42 79.795 -7.891 -3.285
296 2HB ALA 42 HB2 ALA 42 79.929 -7.508 -1.570
297 3HB ALA 42 HB3 ALA 42 81.245 -7.102 -2.670
298 H ASN 43 HN ASN 43 78.760 -4.455 -4.832
299 HA ASN 43 HA ASN 43 81.416 -3.999 -5.910
300 1HB ASN 43 HB2 ASN 43 78.650 -3.842 -6.928
301 2HB ASN 43 HB1 ASN 43 79.758 -2.636 -7.578
302 1HD2 ASN 43 1HD2 ASN 43 81.225 -3.219 -9.055
303 2HD2 ASN 43 2HD2 ASN 43 81.442 -4.829 -9.644
Start of MODEL 13
1 H MET 4 HT1 MET 4 56.531 -19.048 -14.258
2 HA MET 4 HA MET 4 58.914 -17.634 -14.801
3 1HB MET 4 HB2 MET 4 56.352 -16.601 -16.041
4 2HB MET 4 HB1 MET 4 57.878 -15.732 -15.951
5 1HG MET 4 HG2 MET 4 58.260 -18.283 -17.209
6 2HG MET 4 HG1 MET 4 56.963 -17.393 -18.003
7 1HE MET 4 HE1 MET 4 57.933 -17.465 -19.982
8 2HE MET 4 HE2 MET 4 59.665 -17.335 -20.295
9 3HE MET 4 HE3 MET 4 58.613 -15.942 -20.553
10 H THR 5 HN THR 5 59.142 -16.047 -13.264
11 HA THR 5 HA THR 5 57.022 -14.852 -11.818
12 HB THR 5 HB THR 5 58.057 -16.004 -9.586
13 HG1 THR 5 HG1 THR 5 57.901 -18.110 -11.464
14 1HG2 THR 5 1HG2 THR 5 56.112 -17.717 -9.814
15 2HG2 THR 5 2HG2 THR 5 55.676 -16.743 -11.213
16 3HG2 THR 5 3HG2 THR 5 55.766 -15.997 -9.621
17 H THR 6 HN THR 6 60.101 -16.018 -10.504
18 HA THR 6 HA THR 6 61.000 -13.213 -10.360
19 HB THR 6 HB THR 6 62.552 -14.150 -8.552
20 HG1 THR 6 HG1 THR 6 62.046 -16.389 -9.252
21 1HG2 THR 6 1HG2 THR 6 60.371 -14.645 -7.022
22 2HG2 THR 6 2HG2 THR 6 59.667 -13.695 -8.331
23 3HG2 THR 6 3HG2 THR 6 61.002 -13.036 -7.384
24 H SER 7 HN SER 7 61.926 -13.169 -12.467
25 HA SER 7 HA SER 7 63.982 -15.103 -13.140
26 1HB SER 7 HB2 SER 7 64.019 -14.123 -15.290
27 2HB SER 7 HB1 SER 7 62.328 -14.044 -14.788
28 HG SER 7 HG SER 7 62.756 -11.864 -14.121
29 H SER 8 HN SER 8 64.002 -12.537 -11.134
30 HA SER 8 HA SER 8 66.826 -12.324 -11.115
31 1HB SER 8 HB2 SER 8 65.480 -10.553 -12.889
32 2HB SER 8 HB1 SER 8 66.109 -9.600 -11.546
33 HG SER 8 HG SER 8 67.440 -10.778 -13.587
34 H ARG 9 HN ARG 9 63.734 -11.633 -9.863
35 HA ARG 9 HA ARG 9 63.000 -11.093 -7.797
36 1HB ARG 9 HB2 ARG 9 65.569 -12.144 -7.333
37 2HB ARG 9 HB1 ARG 9 65.455 -10.684 -6.359
38 1HG ARG 9 HG2 ARG 9 63.029 -11.979 -5.967
39 2HG ARG 9 HG1 ARG 9 64.230 -13.271 -5.968
40 1HD ARG 9 HD2 ARG 9 64.983 -10.881 -4.435
41 2HD ARG 9 HD1 ARG 9 63.587 -11.753 -3.809
42 HE ARG 9 HE ARG 9 66.082 -13.191 -4.390
43 1HH1 ARG 9 1HH1 ARG 9 63.688 -12.124 -2.070
44 2HH1 ARG 9 2HH1 ARG 9 64.272 -13.162 -0.813
45 1HH2 ARG 9 1HH2 ARG 9 66.830 -14.555 -2.736
46 2HH2 ARG 9 2HH2 ARG 9 66.055 -14.535 -1.190
47 H TYR 10 HN TYR 10 63.786 -9.350 -5.894
48 HA TYR 10 HA TYR 10 63.421 -6.850 -7.234
49 1HB TYR 10 HB2 TYR 10 63.243 -7.911 -4.500
50 2HB TYR 10 HB1 TYR 10 63.662 -6.218 -4.623
51 HD1 TYR 10 HD1 TYR 10 61.814 -4.808 -4.394
52 HD2 TYR 10 HD2 TYR 10 61.390 -8.517 -6.421
53 HE1 TYR 10 HE1 TYR 10 59.459 -4.271 -4.870
54 HE2 TYR 10 HE2 TYR 10 59.033 -8.001 -6.900
55 HH TYR 10 HH TYR 10 57.715 -4.905 -6.484
56 H LYS 11 HN LYS 11 64.810 -5.182 -5.396
57 HA LYS 11 HA LYS 11 67.303 -5.070 -6.729
58 1HB LYS 11 HB2 LYS 11 66.805 -3.356 -4.354
59 2HB LYS 11 HB1 LYS 11 67.512 -2.936 -5.908
60 1HG LYS 11 HG2 LYS 11 64.816 -3.647 -6.386
61 2HG LYS 11 HG1 LYS 11 64.845 -2.558 -4.991
62 1HD LYS 11 HD2 LYS 11 65.291 -0.797 -6.285
63 2HD LYS 11 HD1 LYS 11 66.590 -1.651 -7.121
64 1HE LYS 11 HE2 LYS 11 64.850 -2.832 -8.465
65 2HE LYS 11 HE1 LYS 11 63.636 -1.795 -7.718
66 1HZ LYS 11 HZ1 LYS 11 64.502 -1.105 -9.966
67 2HZ LYS 11 HZ2 LYS 11 65.951 -0.697 -9.195
68 3HZ LYS 11 HZ3 LYS 11 64.515 0.088 -8.765
69 H THR 12 HN THR 12 68.996 -4.095 -4.804
70 HA THR 12 HA THR 12 69.380 -6.354 -2.954
71 HB THR 12 HB THR 12 70.883 -6.756 -4.760
72 HG1 THR 12 HG1 THR 12 72.890 -5.718 -3.396
73 1HG2 THR 12 1HG2 THR 12 72.086 -4.031 -4.464
74 2HG2 THR 12 2HG2 THR 12 70.836 -4.393 -5.652
75 3HG2 THR 12 3HG2 THR 12 72.385 -5.236 -5.717
76 H GLU 13 HN GLU 13 68.189 -3.987 -2.225
77 HA GLU 13 HA GLU 13 70.240 -2.704 -0.664
78 1HB GLU 13 HB2 GLU 13 68.246 -1.572 -2.419
79 2HB GLU 13 HB1 GLU 13 68.174 -0.912 -0.804
80 1HG GLU 13 HG2 GLU 13 70.172 0.119 -0.953
81 2HG GLU 13 HG1 GLU 13 70.841 -1.131 -1.996
82 H LEU 14 HN LEU 14 68.825 -1.303 1.190
83 HA LEU 14 HA LEU 14 66.747 -2.947 2.319
84 1HB LEU 14 HB2 LEU 14 68.144 -3.051 4.532
85 2HB LEU 14 HB1 LEU 14 68.261 -4.302 3.315
86 HG LEU 14 HG LEU 14 70.413 -3.508 4.413
87 1HD1 LEU 14 1HD1 LEU 14 70.432 -3.304 1.438
88 2HD1 LEU 14 2HD1 LEU 14 70.142 -4.810 2.298
89 3HD1 LEU 14 3HD1 LEU 14 71.668 -3.960 2.512
90 1HD2 LEU 14 1HD2 LEU 14 70.701 -1.299 4.426
91 2HD2 LEU 14 2HD2 LEU 14 69.612 -1.036 3.072
92 3HD2 LEU 14 3HD2 LEU 14 71.271 -1.534 2.783
93 H CYS 15 HN CYS 15 65.375 -1.792 3.562
94 HA CYS 15 HA CYS 15 65.749 0.959 3.849
95 1HB CYS 15 HB2 CYS 15 63.502 -0.125 3.707
96 2HB CYS 15 HB1 CYS 15 63.764 -0.817 5.305
97 H ARG 16 HN ARG 16 67.763 1.287 4.971
98 HA ARG 16 HA ARG 16 68.148 0.085 7.552
99 1HB ARG 16 HB2 ARG 16 69.766 1.707 5.644
100 2HB ARG 16 HB1 ARG 16 70.187 1.803 7.345
101 1HG ARG 16 HG2 ARG 16 70.462 -0.599 7.459
102 2HG ARG 16 HG1 ARG 16 70.011 -0.735 5.761
103 1HD ARG 16 HD2 ARG 16 72.377 -0.799 5.811
104 2HD ARG 16 HD1 ARG 16 71.950 0.824 5.267
105 HE ARG 16 HE ARG 16 72.447 0.448 8.117
106 1HH1 ARG 16 1HH1 ARG 16 73.642 1.592 5.038
107 2HH1 ARG 16 2HH1 ARG 16 74.855 2.601 5.750
108 1HH2 ARG 16 1HH2 ARG 16 74.017 1.807 9.041
109 2HH2 ARG 16 2HH2 ARG 16 75.059 2.733 8.015
110 H THR 17 HN THR 17 69.306 3.308 7.282
111 HA THR 17 HA THR 17 68.082 4.124 9.677
112 HB THR 17 HB THR 17 70.231 5.045 8.922
113 HG1 THR 17 HG1 THR 17 69.434 7.393 9.064
114 1HG2 THR 17 1HG2 THR 17 69.883 5.231 6.533
115 2HG2 THR 17 2HG2 THR 17 70.321 6.792 7.217
116 3HG2 THR 17 3HG2 THR 17 68.643 6.461 6.789
117 H TYR 18 HN TYR 18 67.197 4.194 6.428
118 HA TYR 18 HA TYR 18 65.499 6.291 6.071
119 1HB TYR 18 HB2 TYR 18 65.587 3.455 5.098
120 2HB TYR 18 HB1 TYR 18 64.400 4.590 4.489
121 HD1 TYR 18 HD1 TYR 18 65.032 4.921 2.286
122 HD2 TYR 18 HD2 TYR 18 68.011 5.196 5.292
123 HE1 TYR 18 HE1 TYR 18 66.599 5.858 0.648
124 HE2 TYR 18 HE2 TYR 18 69.596 6.077 3.654
125 HH TYR 18 HH TYR 18 68.608 6.805 0.340
126 H SER 19 HN SER 19 64.683 3.027 7.265
127 HA SER 19 HA SER 19 61.969 3.338 7.567
128 1HB SER 19 HB2 SER 19 61.970 1.350 8.834
129 2HB SER 19 HB1 SER 19 63.396 1.204 7.812
130 HG SER 19 HG SER 19 64.368 0.888 9.641
131 H GLU 20 HN GLU 20 64.523 4.266 9.709
132 HA GLU 20 HA GLU 20 62.994 4.809 12.008
133 1HB GLU 20 HB2 GLU 20 65.669 4.927 11.344
134 2HB GLU 20 HB1 GLU 20 65.259 6.618 11.592
135 1HG GLU 20 HG2 GLU 20 64.258 5.900 13.810
136 2HG GLU 20 HG1 GLU 20 65.062 4.348 13.544
137 H SER 21 HN SER 21 63.888 6.791 9.249
138 HA SER 21 HA SER 21 61.785 8.357 8.828
139 1HB SER 21 HB2 SER 21 62.207 10.467 10.193
140 2HB SER 21 HB1 SER 21 61.518 9.107 11.075
141 HG SER 21 HG SER 21 63.426 8.789 12.088
142 H GLY 22 HN GLY 22 64.778 7.607 8.206
143 1HA GLY 22 HA2 GLY 22 66.141 9.950 7.613
144 2HA GLY 22 HA1 GLY 22 66.450 8.393 6.870
145 H ARG 23 HN ARG 23 65.500 7.901 4.949
146 HA ARG 23 HA ARG 23 64.331 10.171 3.483
147 1HB ARG 23 HB2 ARG 23 66.673 9.518 2.891
148 2HB ARG 23 HB1 ARG 23 66.029 7.983 2.357
149 1HG ARG 23 HG2 ARG 23 64.785 10.377 1.206
150 2HG ARG 23 HG1 ARG 23 66.449 10.040 0.726
151 1HD ARG 23 HD2 ARG 23 65.646 7.650 0.254
152 2HD ARG 23 HD1 ARG 23 64.013 8.299 0.369
153 HE ARG 23 HE ARG 23 65.641 8.420 -1.861
154 1HH1 ARG 23 1HH1 ARG 23 63.580 10.550 -0.027
155 2HH1 ARG 23 2HH1 ARG 23 63.379 11.673 -1.330
156 1HH2 ARG 23 1HH2 ARG 23 65.356 9.843 -3.568
157 2HH2 ARG 23 2HH2 ARG 23 64.390 11.266 -3.357
158 H CYS 24 HN CYS 24 64.720 6.760 3.072
159 HA CYS 24 HA CYS 24 63.356 5.048 2.505
160 1HB CYS 24 HB2 CYS 24 61.408 6.993 3.542
161 2HB CYS 24 HB1 CYS 24 60.756 5.771 2.460
162 H ARG 25 HN ARG 25 64.361 5.327 0.485
163 HA ARG 25 HA ARG 25 63.609 6.972 -1.597
164 1HB ARG 25 HB2 ARG 25 65.675 5.670 -1.523
165 2HB ARG 25 HB1 ARG 25 64.761 4.194 -1.684
166 1HG ARG 25 HG2 ARG 25 65.531 4.497 -3.828
167 2HG ARG 25 HG1 ARG 25 63.931 5.243 -3.916
168 1HD ARG 25 HD2 ARG 25 64.993 7.026 -4.758
169 2HD ARG 25 HD1 ARG 25 65.529 7.324 -3.108
170 HE ARG 25 HE ARG 25 67.131 5.716 -4.981
171 1HH1 ARG 25 1HH1 ARG 25 66.864 8.444 -2.804
172 2HH1 ARG 25 2HH1 ARG 25 68.562 8.760 -2.801
173 1HH2 ARG 25 1HH2 ARG 25 69.345 6.164 -5.002
174 2HH2 ARG 25 2HH2 ARG 25 69.972 7.470 -4.051
175 H TYR 26 HN TYR 26 61.778 4.487 -0.284
176 HA TYR 26 HA TYR 26 59.820 4.650 -2.440
177 1HB TYR 26 HB2 TYR 26 60.972 2.101 -1.285
178 2HB TYR 26 HB1 TYR 26 59.419 2.135 -2.104
179 HD1 TYR 26 HD1 TYR 26 60.419 4.198 -4.258
180 HD2 TYR 26 HD2 TYR 26 61.933 0.516 -2.759
181 HE1 TYR 26 HE1 TYR 26 61.558 3.800 -6.401
182 HE2 TYR 26 HE2 TYR 26 63.085 0.119 -4.889
183 HH TYR 26 HH TYR 26 63.673 0.995 -6.869
184 H GLY 27 HN GLY 27 59.645 6.071 -0.188
185 1HA GLY 27 HA2 GLY 27 58.762 5.190 2.177
186 2HA GLY 27 HA1 GLY 27 58.006 6.555 1.371
187 H ALA 28 HN ALA 28 57.434 3.701 2.839
188 HA ALA 28 HA ALA 28 55.492 2.587 3.223
189 1HB ALA 28 HB1 ALA 28 53.599 3.672 2.789
190 2HB ALA 28 HB2 ALA 28 53.831 3.495 1.049
191 3HB ALA 28 HB3 ALA 28 54.566 4.850 1.905
192 H LYS 29 HN LYS 29 56.916 2.713 0.105
193 HA LYS 29 HA LYS 29 55.875 0.091 -0.537
194 1HB LYS 29 HB2 LYS 29 55.419 2.188 -2.013
195 2HB LYS 29 HB1 LYS 29 57.074 1.922 -2.544
196 1HG LYS 29 HG2 LYS 29 56.580 -0.057 -3.568
197 2HG LYS 29 HG1 LYS 29 55.140 -0.317 -2.575
198 1HD LYS 29 HD2 LYS 29 54.570 0.298 -4.894
199 2HD LYS 29 HD1 LYS 29 53.992 1.485 -3.722
200 1HE LYS 29 HE2 LYS 29 56.343 2.590 -4.210
201 2HE LYS 29 HE1 LYS 29 56.185 1.702 -5.727
202 1HZ LYS 29 HZ1 LYS 29 55.285 3.847 -6.068
203 2HZ LYS 29 HZ2 LYS 29 54.358 3.774 -4.655
204 3HZ LYS 29 HZ3 LYS 29 53.963 2.789 -5.971
205 H CYS 30 HN CYS 30 58.450 1.221 0.878
206 HA CYS 30 HA CYS 30 60.520 0.392 -0.901
207 1HB CYS 30 HB2 CYS 30 62.031 0.714 1.041
208 2HB CYS 30 HB1 CYS 30 61.059 2.122 0.596
209 H GLN 31 HN GLN 31 61.499 -1.379 -1.148
210 HA GLN 31 HA GLN 31 61.203 -3.573 0.763
211 1HB GLN 31 HB2 GLN 31 60.276 -3.497 -1.894
212 2HB GLN 31 HB1 GLN 31 61.644 -4.608 -1.851
213 1HG GLN 31 HG2 GLN 31 60.258 -5.349 0.358
214 2HG GLN 31 HG1 GLN 31 58.966 -4.854 -0.735
215 1HE2 GLN 31 1HE2 GLN 31 58.574 -6.010 -2.569
216 2HE2 GLN 31 2HE2 GLN 31 59.273 -7.568 -2.875
217 H PHE 32 HN PHE 32 63.187 -1.638 -1.203
218 HA PHE 32 HA PHE 32 65.553 -2.858 -0.133
219 1HB PHE 32 HB2 PHE 32 64.990 -2.964 -3.079
220 2HB PHE 32 HB1 PHE 32 66.591 -3.165 -2.388
221 HD1 PHE 32 HD1 PHE 32 63.301 -4.630 -2.820
222 HD2 PHE 32 HD2 PHE 32 67.192 -5.155 -1.208
223 HE1 PHE 32 HE1 PHE 32 62.879 -7.054 -2.601
224 HE2 PHE 32 HE2 PHE 32 66.783 -7.573 -0.971
225 HZ PHE 32 HZ PHE 32 64.622 -8.525 -1.674
226 H ALA 33 HN ALA 33 65.392 -1.118 -3.210
227 HA ALA 33 HA ALA 33 67.358 0.595 -3.041
228 1HB ALA 33 HB1 ALA 33 64.607 1.523 -3.831
229 2HB ALA 33 HB2 ALA 33 65.737 0.665 -4.876
230 3HB ALA 33 HB3 ALA 33 66.131 2.282 -4.289
231 H HIS 34 HN HIS 34 68.127 1.383 -1.190
232 HA HIS 34 HA HIS 34 66.880 3.671 0.009
233 1HB HIS 34 HB2 HIS 34 66.571 0.987 1.192
234 2HB HIS 34 HB1 HIS 34 67.168 2.187 2.304
235 HD1 HIS 34 HD1 HIS 34 64.475 2.919 -0.279
236 HD2 HIS 34 HD2 HIS 34 65.032 2.439 3.780
237 HE1 HIS 34 HE1 HIS 34 62.303 3.593 0.850
238 H GLY 35 HN GLY 35 68.288 3.386 2.534
239 1HA GLY 35 HA2 GLY 35 70.709 4.528 2.148
240 2HA GLY 35 HA1 GLY 35 70.293 3.553 3.556
241 H LEU 36 HN LEU 36 72.310 3.829 0.915
242 HA LEU 36 HA LEU 36 73.911 2.510 -0.005
243 1HB LEU 36 HB2 LEU 36 74.488 2.613 2.439
244 2HB LEU 36 HB1 LEU 36 73.758 1.039 2.625
245 HG LEU 36 HG LEU 36 75.682 1.047 0.471
246 1HD1 LEU 36 1HD1 LEU 36 76.668 2.854 1.843
247 2HD1 LEU 36 2HD1 LEU 36 77.681 1.412 1.765
248 3HD1 LEU 36 3HD1 LEU 36 76.725 1.744 3.211
249 1HD2 LEU 36 1HD2 LEU 36 75.422 -0.463 3.074
250 2HD2 LEU 36 2HD2 LEU 36 76.606 -0.832 1.817
251 3HD2 LEU 36 3HD2 LEU 36 74.882 -0.983 1.478
252 H GLY 37 HN GLY 37 72.802 -0.245 1.905
253 1HA GLY 37 HA2 GLY 37 71.819 -2.196 1.342
254 2HA GLY 37 HA1 GLY 37 71.016 -1.335 0.068
255 H GLU 38 HN GLU 38 73.582 -3.369 0.968
256 HA GLU 38 HA GLU 38 74.107 -3.983 -1.852
257 1HB GLU 38 HB2 GLU 38 76.334 -3.713 0.170
258 2HB GLU 38 HB1 GLU 38 76.486 -3.952 -1.564
259 1HG GLU 38 HG2 GLU 38 75.083 -1.639 -1.480
260 2HG GLU 38 HG1 GLU 38 76.049 -1.512 -0.016
261 H LEU 39 HN LEU 39 72.442 -5.433 -0.154
262 HA LEU 39 HA LEU 39 73.612 -7.467 1.331
263 1HB LEU 39 HB2 LEU 39 71.145 -7.787 -0.360
264 2HB LEU 39 HB1 LEU 39 71.586 -8.734 1.051
265 HG LEU 39 HG LEU 39 71.416 -5.850 1.507
266 1HD1 LEU 39 1HD1 LEU 39 69.214 -7.328 0.275
267 2HD1 LEU 39 2HD1 LEU 39 69.458 -5.591 0.442
268 3HD1 LEU 39 3HD1 LEU 39 68.779 -6.519 1.781
269 1HD2 LEU 39 1HD2 LEU 39 71.815 -7.370 3.331
270 2HD2 LEU 39 2HD2 LEU 39 70.360 -8.282 2.934
271 3HD2 LEU 39 3HD2 LEU 39 70.228 -6.630 3.527
272 H ARG 40 HN ARG 40 73.500 -7.109 -2.069
273 HA ARG 40 HA ARG 40 74.857 -9.694 -2.383
274 1HB ARG 40 HB2 ARG 40 73.749 -10.137 -4.399
275 2HB ARG 40 HB1 ARG 40 72.489 -9.559 -3.317
276 1HG ARG 40 HG2 ARG 40 71.922 -8.127 -4.884
277 2HG ARG 40 HG1 ARG 40 73.439 -7.277 -4.577
278 1HD ARG 40 HD2 ARG 40 74.291 -9.275 -6.177
279 2HD ARG 40 HD1 ARG 40 72.658 -9.039 -6.801
280 HE ARG 40 HE ARG 40 73.721 -6.523 -6.645
281 1HH1 ARG 40 1HH1 ARG 40 74.607 -9.500 -8.221
282 2HH1 ARG 40 2HH1 ARG 40 75.418 -8.713 -9.533
283 1HH2 ARG 40 1HH2 ARG 40 74.760 -5.480 -8.389
284 2HH2 ARG 40 2HH2 ARG 40 75.492 -6.432 -9.635
285 H GLN 41 HN GLN 41 76.171 -7.310 -1.814
286 HA GLN 41 HA GLN 41 77.974 -7.180 -4.011
287 1HB GLN 41 HB2 GLN 41 76.236 -4.844 -3.294
288 2HB GLN 41 HB1 GLN 41 77.828 -4.601 -3.989
289 1HG GLN 41 HG2 GLN 41 75.830 -6.378 -5.321
290 2HG GLN 41 HG1 GLN 41 75.778 -4.627 -5.541
291 1HE2 GLN 41 1HE2 GLN 41 76.928 -3.828 -7.168
292 2HE2 GLN 41 2HE2 GLN 41 78.259 -4.607 -7.947
293 H ALA 42 HN ALA 42 78.382 -8.124 -1.495
294 HA ALA 42 HA ALA 42 79.281 -6.318 0.408
295 1HB ALA 42 HB1 ALA 42 79.170 -9.121 0.120
296 2HB ALA 42 HB2 ALA 42 79.457 -8.188 1.586
297 3HB ALA 42 HB3 ALA 42 80.818 -8.708 0.594
298 H ASN 43 HN ASN 43 81.594 -8.488 -1.187
299 HA ASN 43 HA ASN 43 83.701 -8.145 -1.978
300 1HB ASN 43 HB2 ASN 43 82.151 -5.928 -2.938
301 2HB ASN 43 HB1 ASN 43 83.778 -5.374 -2.558
302 1HD2 ASN 43 1HD2 ASN 43 84.701 -5.166 -4.481
303 2HD2 ASN 43 2HD2 ASN 43 84.827 -6.413 -5.669
Start of MODEL 14
1 H MET 4 HT1 MET 4 77.462 -15.220 -10.718
2 HA MET 4 HA MET 4 75.721 -14.087 -8.856
3 1HB MET 4 HB2 MET 4 78.040 -12.913 -10.407
4 2HB MET 4 HB1 MET 4 77.428 -12.351 -8.858
5 1HG MET 4 HG2 MET 4 78.555 -13.899 -7.710
6 2HG MET 4 HG1 MET 4 78.194 -15.171 -8.875
7 1HE MET 4 HE1 MET 4 81.542 -12.533 -8.114
8 2HE MET 4 HE2 MET 4 81.893 -14.211 -7.704
9 3HE MET 4 HE3 MET 4 80.422 -13.446 -7.102
10 H THR 5 HN THR 5 74.112 -14.358 -11.109
11 HA THR 5 HA THR 5 73.288 -11.621 -11.492
12 HB THR 5 HB THR 5 74.812 -11.679 -13.306
13 HG1 THR 5 HG1 THR 5 73.325 -10.916 -14.543
14 1HG2 THR 5 1HG2 THR 5 75.165 -13.389 -14.812
15 2HG2 THR 5 2HG2 THR 5 73.617 -14.155 -14.463
16 3HG2 THR 5 3HG2 THR 5 74.932 -14.254 -13.292
17 H THR 6 HN THR 6 71.593 -12.715 -10.207
18 HA THR 6 HA THR 6 69.952 -14.694 -11.502
19 HB THR 6 HB THR 6 68.406 -14.206 -9.536
20 HG1 THR 6 HG1 THR 6 68.920 -12.683 -8.183
21 1HG2 THR 6 1HG2 THR 6 70.225 -14.970 -7.807
22 2HG2 THR 6 2HG2 THR 6 71.183 -15.221 -9.267
23 3HG2 THR 6 3HG2 THR 6 69.643 -16.058 -9.067
24 H SER 7 HN SER 7 68.394 -14.317 -12.932
25 HA SER 7 HA SER 7 67.394 -11.568 -13.227
26 1HB SER 7 HB2 SER 7 66.549 -12.609 -15.485
27 2HB SER 7 HB1 SER 7 68.246 -12.159 -15.306
28 HG SER 7 HG SER 7 67.701 -14.351 -16.166
29 H SER 8 HN SER 8 66.045 -12.163 -11.279
30 HA SER 8 HA SER 8 63.380 -12.610 -12.087
31 1HB SER 8 HB2 SER 8 62.898 -14.730 -11.035
32 2HB SER 8 HB1 SER 8 64.213 -14.965 -12.185
33 HG SER 8 HG SER 8 65.667 -14.851 -10.415
34 H ARG 9 HN ARG 9 65.522 -13.096 -9.283
35 HA ARG 9 HA ARG 9 63.643 -12.265 -7.351
36 1HB ARG 9 HB2 ARG 9 65.640 -13.582 -6.791
37 2HB ARG 9 HB1 ARG 9 66.666 -12.227 -7.231
38 1HG ARG 9 HG2 ARG 9 66.445 -12.418 -4.817
39 2HG ARG 9 HG1 ARG 9 65.746 -10.908 -5.400
40 1HD ARG 9 HD2 ARG 9 63.823 -11.424 -4.410
41 2HD ARG 9 HD1 ARG 9 63.695 -12.869 -5.415
42 HE ARG 9 HE ARG 9 64.464 -12.732 -2.651
43 1HH1 ARG 9 1HH1 ARG 9 64.654 -14.605 -5.587
44 2HH1 ARG 9 2HH1 ARG 9 64.951 -16.097 -4.763
45 1HH2 ARG 9 1HH2 ARG 9 64.846 -14.693 -1.568
46 2HH2 ARG 9 2HH2 ARG 9 65.055 -16.148 -2.485
47 H TYR 10 HN TYR 10 63.900 -10.335 -5.962
48 HA TYR 10 HA TYR 10 63.804 -7.978 -7.554
49 1HB TYR 10 HB2 TYR 10 63.240 -8.776 -4.767
50 2HB TYR 10 HB1 TYR 10 63.640 -7.090 -5.023
51 HD1 TYR 10 HD1 TYR 10 61.739 -5.764 -5.102
52 HD2 TYR 10 HD2 TYR 10 61.681 -9.616 -6.894
53 HE1 TYR 10 HE1 TYR 10 59.443 -5.356 -5.884
54 HE2 TYR 10 HE2 TYR 10 59.380 -9.222 -7.685
55 HH TYR 10 HH TYR 10 57.751 -6.119 -7.136
56 H LYS 11 HN LYS 11 64.858 -6.068 -5.848
57 HA LYS 11 HA LYS 11 67.523 -6.036 -6.690
58 1HB LYS 11 HB2 LYS 11 66.479 -4.203 -4.565
59 2HB LYS 11 HB1 LYS 11 67.631 -3.869 -5.850
60 1HG LYS 11 HG2 LYS 11 65.688 -4.239 -7.463
61 2HG LYS 11 HG1 LYS 11 64.650 -4.124 -6.029
62 1HD LYS 11 HD2 LYS 11 65.300 -1.904 -5.608
63 2HD LYS 11 HD1 LYS 11 66.685 -2.014 -6.694
64 1HE LYS 11 HE2 LYS 11 65.027 -0.731 -7.811
65 2HE LYS 11 HE1 LYS 11 65.058 -2.318 -8.580
66 1HZ LYS 11 HZ1 LYS 11 62.839 -1.081 -7.693
67 2HZ LYS 11 HZ2 LYS 11 63.190 -2.105 -6.393
68 3HZ LYS 11 HZ3 LYS 11 62.976 -2.748 -7.941
69 H THR 12 HN THR 12 68.944 -4.927 -4.666
70 HA THR 12 HA THR 12 69.198 -7.122 -2.707
71 HB THR 12 HB THR 12 70.993 -7.359 -4.195
72 HG1 THR 12 HG1 THR 12 72.578 -5.900 -2.586
73 1HG2 THR 12 1HG2 THR 12 72.547 -5.161 -4.347
74 2HG2 THR 12 2HG2 THR 12 70.944 -4.429 -4.325
75 3HG2 THR 12 3HG2 THR 12 71.354 -5.618 -5.561
76 H GLU 13 HN GLU 13 68.319 -3.978 -2.905
77 HA GLU 13 HA GLU 13 69.897 -2.978 -0.762
78 1HB GLU 13 HB2 GLU 13 67.962 -1.870 -2.686
79 2HB GLU 13 HB1 GLU 13 68.082 -1.068 -1.144
80 1HG GLU 13 HG2 GLU 13 69.984 -0.077 -1.682
81 2HG GLU 13 HG1 GLU 13 70.687 -1.590 -2.252
82 H LEU 14 HN LEU 14 68.508 -1.527 0.881
83 HA LEU 14 HA LEU 14 66.090 -2.758 1.775
84 1HB LEU 14 HB2 LEU 14 67.128 -3.138 4.113
85 2HB LEU 14 HB1 LEU 14 67.274 -4.368 2.877
86 HG LEU 14 HG LEU 14 69.296 -3.782 4.401
87 1HD1 LEU 14 1HD1 LEU 14 69.242 -4.437 1.525
88 2HD1 LEU 14 2HD1 LEU 14 69.838 -5.362 2.898
89 3HD1 LEU 14 3HD1 LEU 14 70.801 -4.041 2.242
90 1HD2 LEU 14 1HD2 LEU 14 70.319 -1.845 4.192
91 2HD2 LEU 14 2HD2 LEU 14 68.994 -1.291 3.188
92 3HD2 LEU 14 3HD2 LEU 14 70.412 -2.007 2.452
93 H CYS 15 HN CYS 15 65.288 -1.772 3.794
94 HA CYS 15 HA CYS 15 65.718 1.064 3.740
95 1HB CYS 15 HB2 CYS 15 63.425 0.038 3.750
96 2HB CYS 15 HB1 CYS 15 63.746 -0.578 5.366
97 H ARG 16 HN ARG 16 67.918 1.006 4.679
98 HA ARG 16 HA ARG 16 68.361 -0.130 7.225
99 1HB ARG 16 HB2 ARG 16 69.936 1.394 5.211
100 2HB ARG 16 HB1 ARG 16 70.485 1.478 6.883
101 1HG ARG 16 HG2 ARG 16 69.822 -1.180 5.768
102 2HG ARG 16 HG1 ARG 16 71.334 -0.406 5.289
103 1HD ARG 16 HD2 ARG 16 70.761 -0.315 8.158
104 2HD ARG 16 HD1 ARG 16 70.992 -1.938 7.507
105 HE ARG 16 HE ARG 16 72.997 0.032 6.791
106 1HH1 ARG 16 1HH1 ARG 16 72.082 -2.565 8.936
107 2HH1 ARG 16 2HH1 ARG 16 73.712 -2.929 9.387
108 1HH2 ARG 16 1HH2 ARG 16 75.133 -0.447 7.381
109 2HH2 ARG 16 2HH2 ARG 16 75.444 -1.727 8.507
110 H THR 17 HN THR 17 69.640 3.054 6.886
111 HA THR 17 HA THR 17 68.677 3.852 9.407
112 HB THR 17 HB THR 17 70.791 4.698 8.519
113 HG1 THR 17 HG1 THR 17 70.552 6.601 9.428
114 1HG2 THR 17 1HG2 THR 17 69.225 5.377 6.227
115 2HG2 THR 17 2HG2 THR 17 70.974 5.372 6.431
116 3HG2 THR 17 3HG2 THR 17 70.039 6.805 6.859
117 H TYR 18 HN TYR 18 67.389 3.942 6.294
118 HA TYR 18 HA TYR 18 65.735 6.165 6.255
119 1HB TYR 18 HB2 TYR 18 65.616 3.426 5.014
120 2HB TYR 18 HB1 TYR 18 64.460 4.678 4.628
121 HD1 TYR 18 HD1 TYR 18 64.907 5.198 2.409
122 HD2 TYR 18 HD2 TYR 18 68.144 4.979 5.112
123 HE1 TYR 18 HE1 TYR 18 66.390 6.163 0.709
124 HE2 TYR 18 HE2 TYR 18 69.650 5.919 3.435
125 HH TYR 18 HH TYR 18 68.737 7.546 0.867
126 H SER 19 HN SER 19 65.118 2.827 7.313
127 HA SER 19 HA SER 19 62.446 2.920 7.865
128 1HB SER 19 HB2 SER 19 64.460 1.090 8.244
129 2HB SER 19 HB1 SER 19 63.944 1.437 9.895
130 HG SER 19 HG SER 19 62.568 0.206 7.816
131 H GLU 20 HN GLU 20 64.835 4.705 9.450
132 HA GLU 20 HA GLU 20 63.238 5.048 11.862
133 1HB GLU 20 HB2 GLU 20 66.055 5.191 11.245
134 2HB GLU 20 HB1 GLU 20 65.517 6.677 12.023
135 1HG GLU 20 HG2 GLU 20 65.149 5.678 13.984
136 2HG GLU 20 HG1 GLU 20 64.504 4.216 13.226
137 H SER 21 HN SER 21 62.344 5.980 9.357
138 HA SER 21 HA SER 21 61.180 7.757 8.517
139 1HB SER 21 HB2 SER 21 61.978 9.596 10.716
140 2HB SER 21 HB1 SER 21 60.402 9.352 9.965
141 HG SER 21 HG SER 21 60.124 7.509 11.166
142 H GLY 22 HN GLY 22 64.284 7.459 8.367
143 1HA GLY 22 HA2 GLY 22 65.412 9.983 8.089
144 2HA GLY 22 HA1 GLY 22 66.002 8.530 7.303
145 H ARG 23 HN ARG 23 65.341 8.069 5.243
146 HA ARG 23 HA ARG 23 64.194 10.330 3.769
147 1HB ARG 23 HB2 ARG 23 66.583 9.652 3.312
148 2HB ARG 23 HB1 ARG 23 65.928 8.181 2.638
149 1HG ARG 23 HG2 ARG 23 64.762 10.630 1.547
150 2HG ARG 23 HG1 ARG 23 66.479 10.407 1.214
151 1HD ARG 23 HD2 ARG 23 66.046 8.222 0.241
152 2HD ARG 23 HD1 ARG 23 64.343 8.346 0.666
153 HE ARG 23 HE ARG 23 65.590 9.434 -1.625
154 1HH1 ARG 23 1HH1 ARG 23 63.094 10.068 0.727
155 2HH1 ARG 23 2HH1 ARG 23 62.183 11.093 -0.329
156 1HH2 ARG 23 1HH2 ARG 23 64.390 10.775 -3.021
157 2HH2 ARG 23 2HH2 ARG 23 62.917 11.493 -2.458
158 H CYS 24 HN CYS 24 64.591 6.902 3.407
159 HA CYS 24 HA CYS 24 63.244 5.243 2.625
160 1HB CYS 24 HB2 CYS 24 61.304 7.145 3.757
161 2HB CYS 24 HB1 CYS 24 60.654 5.986 2.606
162 H ARG 25 HN ARG 25 64.309 5.715 0.615
163 HA ARG 25 HA ARG 25 63.563 7.497 -1.307
164 1HB ARG 25 HB2 ARG 25 65.579 6.163 -1.460
165 2HB ARG 25 HB1 ARG 25 64.631 4.712 -1.687
166 1HG ARG 25 HG2 ARG 25 65.204 5.133 -3.848
167 2HG ARG 25 HG1 ARG 25 63.697 6.056 -3.765
168 1HD ARG 25 HD2 ARG 25 65.613 7.833 -2.857
169 2HD ARG 25 HD1 ARG 25 66.432 6.968 -4.156
170 HE ARG 25 HE ARG 25 63.981 7.648 -5.176
171 1HH1 ARG 25 1HH1 ARG 25 66.700 9.373 -3.831
172 2HH1 ARG 25 2HH1 ARG 25 66.397 10.812 -4.745
173 1HH2 ARG 25 1HH2 ARG 25 63.584 9.542 -6.377
174 2HH2 ARG 25 2HH2 ARG 25 64.629 10.909 -6.188
175 H TYR 26 HN TYR 26 61.838 4.728 -0.355
176 HA TYR 26 HA TYR 26 59.742 5.305 -2.315
177 1HB TYR 26 HB2 TYR 26 60.801 2.553 -1.618
178 2HB TYR 26 HB1 TYR 26 59.304 2.839 -2.490
179 HD1 TYR 26 HD1 TYR 26 60.200 5.021 -4.347
180 HD2 TYR 26 HD2 TYR 26 62.091 1.406 -3.156
181 HE1 TYR 26 HE1 TYR 26 61.424 4.957 -6.486
182 HE2 TYR 26 HE2 TYR 26 63.322 1.336 -5.274
183 HH TYR 26 HH TYR 26 63.950 3.606 -7.116
184 H GLY 27 HN GLY 27 59.757 6.300 0.190
185 1HA GLY 27 HA2 GLY 27 58.931 5.036 2.398
186 2HA GLY 27 HA1 GLY 27 58.202 6.547 1.888
187 H ALA 28 HN ALA 28 57.487 3.676 3.020
188 HA ALA 28 HA ALA 28 55.539 2.572 3.309
189 1HB ALA 28 HB1 ALA 28 53.893 4.069 3.211
190 2HB ALA 28 HB2 ALA 28 53.633 3.488 1.568
191 3HB ALA 28 HB3 ALA 28 54.624 4.917 1.851
192 H LYS 29 HN LYS 29 56.896 3.005 0.199
193 HA LYS 29 HA LYS 29 55.804 0.471 -0.678
194 1HB LYS 29 HB2 LYS 29 55.356 2.695 -1.961
195 2HB LYS 29 HB1 LYS 29 57.000 2.464 -2.540
196 1HG LYS 29 HG2 LYS 29 56.468 0.559 -3.709
197 2HG LYS 29 HG1 LYS 29 55.036 0.250 -2.723
198 1HD LYS 29 HD2 LYS 29 54.534 1.038 -5.038
199 2HD LYS 29 HD1 LYS 29 53.850 2.045 -3.760
200 1HE LYS 29 HE2 LYS 29 55.077 3.826 -4.347
201 2HE LYS 29 HE1 LYS 29 56.533 2.860 -4.580
202 1HZ LYS 29 HZ1 LYS 29 56.134 3.507 -6.712
203 2HZ LYS 29 HZ2 LYS 29 54.457 3.594 -6.511
204 3HZ LYS 29 HZ3 LYS 29 55.207 2.091 -6.702
205 H CYS 30 HN CYS 30 58.461 1.664 0.703
206 HA CYS 30 HA CYS 30 60.485 0.846 -1.089
207 1HB CYS 30 HB2 CYS 30 62.018 1.042 0.857
208 2HB CYS 30 HB1 CYS 30 61.050 2.484 0.519
209 H GLN 31 HN GLN 31 61.258 -1.023 -1.526
210 HA GLN 31 HA GLN 31 60.816 -3.266 0.276
211 1HB GLN 31 HB2 GLN 31 61.198 -4.414 -2.138
212 2HB GLN 31 HB1 GLN 31 59.621 -4.028 -1.473
213 1HG GLN 31 HG2 GLN 31 60.047 -1.737 -2.699
214 2HG GLN 31 HG1 GLN 31 61.129 -2.726 -3.674
215 1HE2 GLN 31 1HE2 GLN 31 59.494 -5.124 -3.384
216 2HE2 GLN 31 2HE2 GLN 31 58.102 -4.882 -4.393
217 H PHE 32 HN PHE 32 63.009 -1.319 -1.433
218 HA PHE 32 HA PHE 32 65.246 -2.763 -0.356
219 1HB PHE 32 HB2 PHE 32 64.863 -2.594 -3.337
220 2HB PHE 32 HB1 PHE 32 66.372 -3.045 -2.555
221 HD1 PHE 32 HD1 PHE 32 62.952 -4.074 -3.320
222 HD2 PHE 32 HD2 PHE 32 66.654 -5.179 -1.546
223 HE1 PHE 32 HE1 PHE 32 62.248 -6.437 -3.329
224 HE2 PHE 32 HE2 PHE 32 65.960 -7.542 -1.542
225 HZ PHE 32 HZ PHE 32 63.756 -8.176 -2.443
226 H ALA 33 HN ALA 33 65.144 -0.750 -3.243
227 HA ALA 33 HA ALA 33 67.297 0.769 -2.939
228 1HB ALA 33 HB1 ALA 33 65.515 0.832 -4.768
229 2HB ALA 33 HB2 ALA 33 66.405 2.317 -4.431
230 3HB ALA 33 HB3 ALA 33 64.766 2.113 -3.812
231 H HIS 34 HN HIS 34 68.099 1.793 -1.237
232 HA HIS 34 HA HIS 34 66.787 4.077 -0.123
233 1HB HIS 34 HB2 HIS 34 66.749 1.498 1.356
234 2HB HIS 34 HB1 HIS 34 67.135 2.950 2.281
235 HD1 HIS 34 HD1 HIS 34 64.474 3.475 -0.294
236 HD2 HIS 34 HD2 HIS 34 64.945 2.521 3.682
237 HE1 HIS 34 HE1 HIS 34 62.240 3.931 0.857
238 H GLY 35 HN GLY 35 68.667 2.913 2.414
239 1HA GLY 35 HA2 GLY 35 70.701 4.746 2.168
240 2HA GLY 35 HA1 GLY 35 70.740 3.298 3.197
241 H LEU 36 HN LEU 36 72.042 1.669 2.666
242 HA LEU 36 HA LEU 36 73.794 2.011 0.355
243 1HB LEU 36 HB2 LEU 36 74.655 -0.215 1.766
244 2HB LEU 36 HB1 LEU 36 75.362 1.381 1.786
245 HG LEU 36 HG LEU 36 73.488 1.735 3.670
246 1HD1 LEU 36 1HD1 LEU 36 73.742 -0.479 5.050
247 2HD1 LEU 36 2HD1 LEU 36 73.951 -1.201 3.455
248 3HD1 LEU 36 3HD1 LEU 36 72.473 -0.319 3.838
249 1HD2 LEU 36 1HD2 LEU 36 75.532 2.288 4.433
250 2HD2 LEU 36 2HD2 LEU 36 76.306 0.886 3.694
251 3HD2 LEU 36 3HD2 LEU 36 75.432 0.711 5.215
252 H GLY 37 HN GLY 37 71.972 -0.603 1.937
253 1HA GLY 37 HA2 GLY 37 71.016 -2.504 1.091
254 2HA GLY 37 HA1 GLY 37 70.699 -1.518 -0.311
255 H GLU 38 HN GLU 38 73.929 -2.057 0.644
256 HA GLU 38 HA GLU 38 74.453 -3.458 -1.829
257 1HB GLU 38 HB2 GLU 38 76.426 -2.817 0.358
258 2HB GLU 38 HB1 GLU 38 76.768 -3.142 -1.337
259 1HG GLU 38 HG2 GLU 38 75.304 -1.051 -1.776
260 2HG GLU 38 HG1 GLU 38 75.615 -0.692 -0.079
261 H LEU 39 HN LEU 39 72.831 -4.957 0.004
262 HA LEU 39 HA LEU 39 74.000 -6.801 1.636
263 1HB LEU 39 HB2 LEU 39 71.793 -7.106 -0.357
264 2HB LEU 39 HB1 LEU 39 72.341 -8.486 0.573
265 HG LEU 39 HG LEU 39 71.416 -5.946 1.865
266 1HD1 LEU 39 1HD1 LEU 39 69.457 -7.928 2.174
267 2HD1 LEU 39 2HD1 LEU 39 69.859 -7.913 0.458
268 3HD1 LEU 39 3HD1 LEU 39 69.328 -6.433 1.250
269 1HD2 LEU 39 1HD2 LEU 39 72.150 -6.964 3.697
270 2HD2 LEU 39 2HD2 LEU 39 72.541 -8.422 2.785
271 3HD2 LEU 39 3HD2 LEU 39 70.921 -8.204 3.446
272 H ARG 40 HN ARG 40 73.358 -7.428 -1.708
273 HA ARG 40 HA ARG 40 75.310 -9.545 -1.865
274 1HB ARG 40 HB2 ARG 40 74.297 -10.115 -3.905
275 2HB ARG 40 HB1 ARG 40 72.972 -9.531 -2.902
276 1HG ARG 40 HG2 ARG 40 72.439 -8.197 -4.576
277 2HG ARG 40 HG1 ARG 40 73.878 -7.258 -4.177
278 1HD ARG 40 HD2 ARG 40 74.370 -7.665 -6.351
279 2HD ARG 40 HD1 ARG 40 75.002 -9.167 -5.684
280 HE ARG 40 HE ARG 40 72.484 -8.834 -7.146
281 1HH1 ARG 40 1HH1 ARG 40 74.836 -10.937 -5.648
282 2HH1 ARG 40 2HH1 ARG 40 74.166 -12.376 -6.336
283 1HH2 ARG 40 1HH2 ARG 40 71.618 -10.732 -8.056
284 2HH2 ARG 40 2HH2 ARG 40 72.344 -12.263 -7.694
285 H GLN 41 HN GLN 41 76.438 -6.946 -1.428
286 HA GLN 41 HA GLN 41 78.333 -6.906 -3.544
287 1HB GLN 41 HB2 GLN 41 76.472 -4.578 -3.113
288 2HB GLN 41 HB1 GLN 41 78.043 -4.385 -3.871
289 1HG GLN 41 HG2 GLN 41 76.127 -6.391 -4.956
290 2HG GLN 41 HG1 GLN 41 75.908 -4.683 -5.316
291 1HE2 GLN 41 1HE2 GLN 41 78.071 -3.597 -5.952
292 2HE2 GLN 41 2HE2 GLN 41 78.990 -4.441 -7.147
293 H ALA 42 HN ALA 42 79.364 -7.604 -1.442
294 HA ALA 42 HA ALA 42 79.731 -5.799 0.660
295 1HB ALA 42 HB1 ALA 42 80.541 -8.433 0.034
296 2HB ALA 42 HB2 ALA 42 80.595 -7.610 1.592
297 3HB ALA 42 HB3 ALA 42 81.980 -7.525 0.501
298 H ASN 43 HN ASN 43 80.903 -5.610 -2.475
299 HA ASN 43 HA ASN 43 82.515 -4.384 -3.506
300 1HB ASN 43 HB2 ASN 43 81.448 -2.803 -1.367
301 2HB ASN 43 HB1 ASN 43 83.162 -2.438 -1.542
302 1HD2 ASN 43 1HD2 ASN 43 81.045 -0.654 -2.075
303 2HD2 ASN 43 2HD2 ASN 43 81.089 -0.263 -3.756
Start of MODEL 15
1 H MET 4 HT1 MET 4 60.272 -16.131 -15.199
2 HA MET 4 HA MET 4 59.828 -18.752 -15.376
3 1HB MET 4 HB2 MET 4 61.877 -16.826 -16.005
4 2HB MET 4 HB1 MET 4 62.623 -18.360 -15.581
5 1HG MET 4 HG2 MET 4 60.700 -19.240 -17.224
6 2HG MET 4 HG1 MET 4 60.957 -17.633 -17.901
7 1HE MET 4 HE1 MET 4 62.901 -20.157 -20.270
8 2HE MET 4 HE2 MET 4 61.753 -18.817 -20.269
9 3HE MET 4 HE3 MET 4 61.345 -20.328 -19.456
10 H THR 5 HN THR 5 62.016 -17.252 -13.010
11 HA THR 5 HA THR 5 62.043 -19.815 -11.563
12 HB THR 5 HB THR 5 64.351 -19.287 -10.830
13 HG1 THR 5 HG1 THR 5 65.007 -17.335 -11.148
14 1HG2 THR 5 1HG2 THR 5 63.593 -20.019 -13.504
15 2HG2 THR 5 2HG2 THR 5 64.907 -20.624 -12.496
16 3HG2 THR 5 3HG2 THR 5 65.147 -19.183 -13.483
17 H THR 6 HN THR 6 63.193 -16.497 -10.959
18 HA THR 6 HA THR 6 61.455 -16.421 -8.583
19 HB THR 6 HB THR 6 63.401 -14.938 -7.637
20 HG1 THR 6 HG1 THR 6 65.019 -14.893 -8.965
21 1HG2 THR 6 1HG2 THR 6 62.641 -17.227 -6.817
22 2HG2 THR 6 2HG2 THR 6 64.290 -16.731 -6.442
23 3HG2 THR 6 3HG2 THR 6 63.991 -17.870 -7.750
24 H SER 7 HN SER 7 61.001 -15.380 -11.240
25 HA SER 7 HA SER 7 60.293 -13.499 -12.304
26 1HB SER 7 HB2 SER 7 59.968 -12.345 -9.534
27 2HB SER 7 HB1 SER 7 59.045 -11.944 -10.982
28 HG SER 7 HG SER 7 58.486 -14.326 -10.884
29 H SER 8 HN SER 8 63.209 -13.652 -11.445
30 HA SER 8 HA SER 8 65.041 -12.372 -11.912
31 1HB SER 8 HB2 SER 8 63.532 -11.142 -13.540
32 2HB SER 8 HB1 SER 8 63.241 -9.970 -12.254
33 HG SER 8 HG SER 8 65.324 -9.338 -12.334
34 H ARG 9 HN ARG 9 62.745 -11.627 -9.491
35 HA ARG 9 HA ARG 9 62.957 -10.873 -7.367
36 1HB ARG 9 HB2 ARG 9 65.142 -12.227 -7.563
37 2HB ARG 9 HB1 ARG 9 65.929 -10.672 -7.757
38 1HG ARG 9 HG2 ARG 9 65.987 -11.532 -5.440
39 2HG ARG 9 HG1 ARG 9 65.213 -9.955 -5.586
40 1HD ARG 9 HD2 ARG 9 63.391 -10.765 -4.599
41 2HD ARG 9 HD1 ARG 9 63.218 -11.965 -5.880
42 HE ARG 9 HE ARG 9 64.172 -12.416 -3.231
43 1HH1 ARG 9 1HH1 ARG 9 64.427 -13.488 -6.537
44 2HH1 ARG 9 2HH1 ARG 9 64.984 -15.069 -6.118
45 1HH2 ARG 9 1HH2 ARG 9 64.884 -14.513 -2.672
46 2HH2 ARG 9 2HH2 ARG 9 65.219 -15.661 -3.924
47 H TYR 10 HN TYR 10 63.630 -9.012 -6.070
48 HA TYR 10 HA TYR 10 63.409 -6.583 -7.617
49 1HB TYR 10 HB2 TYR 10 62.987 -7.476 -4.839
50 2HB TYR 10 HB1 TYR 10 63.488 -5.804 -5.024
51 HD1 TYR 10 HD1 TYR 10 61.701 -4.322 -4.982
52 HD2 TYR 10 HD2 TYR 10 61.202 -8.119 -6.819
53 HE1 TYR 10 HE1 TYR 10 59.392 -3.720 -5.582
54 HE2 TYR 10 HE2 TYR 10 58.893 -7.533 -7.427
55 HH TYR 10 HH TYR 10 57.646 -5.152 -7.833
56 H LYS 11 HN LYS 11 64.711 -4.839 -5.859
57 HA LYS 11 HA LYS 11 67.291 -4.874 -6.926
58 1HB LYS 11 HB2 LYS 11 66.481 -3.190 -4.585
59 2HB LYS 11 HB1 LYS 11 67.587 -2.795 -5.895
60 1HG LYS 11 HG2 LYS 11 65.321 -3.188 -7.298
61 2HG LYS 11 HG1 LYS 11 64.652 -2.597 -5.767
62 1HD LYS 11 HD2 LYS 11 65.063 -0.546 -6.545
63 2HD LYS 11 HD1 LYS 11 66.766 -0.886 -6.243
64 1HE LYS 11 HE2 LYS 11 66.809 -1.899 -8.575
65 2HE LYS 11 HE1 LYS 11 65.234 -1.143 -8.817
66 1HZ LYS 11 HZ1 LYS 11 67.869 0.063 -8.687
67 2HZ LYS 11 HZ2 LYS 11 66.645 0.915 -7.889
68 3HZ LYS 11 HZ3 LYS 11 66.491 0.559 -9.534
69 H THR 12 HN THR 12 68.957 -4.015 -4.970
70 HA THR 12 HA THR 12 69.269 -6.393 -3.255
71 HB THR 12 HB THR 12 70.920 -6.391 -5.010
72 HG1 THR 12 HG1 THR 12 71.599 -6.175 -2.407
73 1HG2 THR 12 1HG2 THR 12 72.094 -3.824 -4.066
74 2HG2 THR 12 2HG2 THR 12 70.829 -3.835 -5.294
75 3HG2 THR 12 3HG2 THR 12 72.345 -4.685 -5.584
76 H GLU 13 HN GLU 13 68.651 -3.145 -3.092
77 HA GLU 13 HA GLU 13 70.358 -2.497 -0.919
78 1HB GLU 13 HB2 GLU 13 68.590 -1.096 -2.679
79 2HB GLU 13 HB1 GLU 13 68.332 -0.626 -1.012
80 1HG GLU 13 HG2 GLU 13 70.422 0.274 -0.778
81 2HG GLU 13 HG1 GLU 13 71.112 -0.755 -2.032
82 H LEU 14 HN LEU 14 68.833 -1.059 0.830
83 HA LEU 14 HA LEU 14 66.640 -2.573 1.854
84 1HB LEU 14 HB2 LEU 14 67.969 -2.965 4.069
85 2HB LEU 14 HB1 LEU 14 68.040 -4.126 2.759
86 HG LEU 14 HG LEU 14 70.221 -3.459 3.993
87 1HD1 LEU 14 1HD1 LEU 14 71.447 -4.149 2.193
88 2HD1 LEU 14 2HD1 LEU 14 70.488 -3.235 1.040
89 3HD1 LEU 14 3HD1 LEU 14 69.842 -4.714 1.745
90 1HD2 LEU 14 1HD2 LEU 14 71.313 -1.523 3.411
91 2HD2 LEU 14 2HD2 LEU 14 69.653 -0.972 3.581
92 3HD2 LEU 14 3HD2 LEU 14 70.325 -1.259 1.977
93 H CYS 15 HN CYS 15 65.637 -1.628 3.658
94 HA CYS 15 HA CYS 15 65.893 1.170 3.865
95 1HB CYS 15 HB2 CYS 15 63.777 -0.292 4.121
96 2HB CYS 15 HB1 CYS 15 64.344 -0.618 5.755
97 H ARG 16 HN ARG 16 68.147 1.410 4.589
98 HA ARG 16 HA ARG 16 68.980 0.221 7.033
99 1HB ARG 16 HB2 ARG 16 70.179 1.953 4.938
100 2HB ARG 16 HB1 ARG 16 70.865 2.084 6.549
101 1HG ARG 16 HG2 ARG 16 70.482 -0.572 5.239
102 2HG ARG 16 HG1 ARG 16 71.924 0.410 4.969
103 1HD ARG 16 HD2 ARG 16 71.137 0.086 7.777
104 2HD ARG 16 HD1 ARG 16 71.639 -1.399 6.972
105 HE ARG 16 HE ARG 16 73.288 0.948 7.514
106 1HH1 ARG 16 1HH1 ARG 16 73.015 -2.223 6.069
107 2HH1 ARG 16 2HH1 ARG 16 74.725 -2.449 5.954
108 1HH2 ARG 16 1HH2 ARG 16 75.535 0.647 7.353
109 2HH2 ARG 16 2HH2 ARG 16 76.156 -0.821 6.679
110 H THR 17 HN THR 17 69.845 3.541 6.688
111 HA THR 17 HA THR 17 68.984 4.181 9.306
112 HB THR 17 HB THR 17 70.960 5.245 8.375
113 HG1 THR 17 HG1 THR 17 70.544 7.107 9.292
114 1HG2 THR 17 1HG2 THR 17 69.361 6.961 6.558
115 2HG2 THR 17 2HG2 THR 17 69.847 5.361 6.002
116 3HG2 THR 17 3HG2 THR 17 71.070 6.529 6.499
117 H TYR 18 HN TYR 18 67.614 4.357 6.214
118 HA TYR 18 HA TYR 18 65.786 6.403 6.298
119 1HB TYR 18 HB2 TYR 18 65.879 3.685 5.049
120 2HB TYR 18 HB1 TYR 18 64.557 4.787 4.728
121 HD1 TYR 18 HD1 TYR 18 64.897 5.242 2.459
122 HD2 TYR 18 HD2 TYR 18 68.129 5.661 5.138
123 HE1 TYR 18 HE1 TYR 18 66.193 6.366 0.705
124 HE2 TYR 18 HE2 TYR 18 69.467 6.737 3.396
125 HH TYR 18 HH TYR 18 69.488 6.756 0.845
126 H SER 19 HN SER 19 65.471 3.040 7.383
127 HA SER 19 HA SER 19 62.843 2.833 8.006
128 1HB SER 19 HB2 SER 19 64.778 1.127 8.259
129 2HB SER 19 HB1 SER 19 64.884 1.737 9.910
130 HG SER 19 HG SER 19 63.409 0.235 10.188
131 H GLU 20 HN GLU 20 64.968 5.013 9.465
132 HA GLU 20 HA GLU 20 63.395 5.236 11.897
133 1HB GLU 20 HB2 GLU 20 66.109 5.799 11.190
134 2HB GLU 20 HB1 GLU 20 65.352 7.279 11.779
135 1HG GLU 20 HG2 GLU 20 65.147 6.504 13.867
136 2HG GLU 20 HG1 GLU 20 64.777 4.862 13.325
137 H SER 21 HN SER 21 62.291 5.840 9.344
138 HA SER 21 HA SER 21 60.796 7.318 8.453
139 1HB SER 21 HB2 SER 21 60.627 7.840 11.099
140 2HB SER 21 HB1 SER 21 61.190 9.406 10.516
141 HG SER 21 HG SER 21 58.829 8.013 9.863
142 H GLY 22 HN GLY 22 63.853 7.571 8.198
143 1HA GLY 22 HA2 GLY 22 64.515 10.254 7.844
144 2HA GLY 22 HA1 GLY 22 65.352 8.905 7.104
145 H ARG 23 HN ARG 23 64.779 8.253 5.075
146 HA ARG 23 HA ARG 23 63.279 10.220 3.499
147 1HB ARG 23 HB2 ARG 23 65.703 10.019 3.017
148 2HB ARG 23 HB1 ARG 23 65.427 8.352 2.581
149 1HG ARG 23 HG2 ARG 23 63.699 10.203 1.151
150 2HG ARG 23 HG1 ARG 23 65.417 10.460 0.850
151 1HD ARG 23 HD2 ARG 23 64.792 7.644 0.799
152 2HD ARG 23 HD1 ARG 23 63.750 8.531 -0.312
153 HE ARG 23 HE ARG 23 66.504 7.973 -0.651
154 1HH1 ARG 23 1HH1 ARG 23 64.130 10.469 -1.201
155 2HH1 ARG 23 2HH1 ARG 23 64.938 11.105 -2.596
156 1HH2 ARG 23 1HH2 ARG 23 67.567 8.804 -2.479
157 2HH2 ARG 23 2HH2 ARG 23 66.891 10.158 -3.322
158 H CYS 24 HN CYS 24 64.282 6.914 3.292
159 HA CYS 24 HA CYS 24 63.264 5.001 2.586
160 1HB CYS 24 HB2 CYS 24 60.945 6.596 3.465
161 2HB CYS 24 HB1 CYS 24 60.600 5.248 2.399
162 H ARG 25 HN ARG 25 64.269 5.339 0.597
163 HA ARG 25 HA ARG 25 63.500 6.941 -1.472
164 1HB ARG 25 HB2 ARG 25 65.589 5.874 -1.567
165 2HB ARG 25 HB1 ARG 25 64.890 4.282 -1.417
166 1HG ARG 25 HG2 ARG 25 65.359 4.233 -3.623
167 2HG ARG 25 HG1 ARG 25 63.779 5.016 -3.743
168 1HD ARG 25 HD2 ARG 25 65.553 7.104 -3.265
169 2HD ARG 25 HD1 ARG 25 66.419 6.042 -4.373
170 HE ARG 25 HE ARG 25 63.687 6.922 -4.998
171 1HH1 ARG 25 1HH1 ARG 25 67.094 6.839 -5.809
172 2HH1 ARG 25 2HH1 ARG 25 66.850 7.476 -7.398
173 1HH2 ARG 25 1HH2 ARG 25 63.385 7.766 -7.083
174 2HH2 ARG 25 2HH2 ARG 25 64.753 8.006 -8.118
175 H TYR 26 HN TYR 26 61.797 4.258 -0.320
176 HA TYR 26 HA TYR 26 59.833 4.491 -2.485
177 1HB TYR 26 HB2 TYR 26 60.879 1.906 -1.311
178 2HB TYR 26 HB1 TYR 26 59.439 2.009 -2.316
179 HD1 TYR 26 HD1 TYR 26 60.580 4.018 -4.318
180 HD2 TYR 26 HD2 TYR 26 62.145 0.432 -2.638
181 HE1 TYR 26 HE1 TYR 26 61.971 3.697 -6.317
182 HE2 TYR 26 HE2 TYR 26 63.550 0.116 -4.632
183 HH TYR 26 HH TYR 26 63.144 1.174 -7.352
184 H GLY 27 HN GLY 27 59.609 5.877 -0.232
185 1HA GLY 27 HA2 GLY 27 58.697 4.990 2.122
186 2HA GLY 27 HA1 GLY 27 57.935 6.341 1.307
187 H ALA 28 HN ALA 28 57.352 3.548 2.820
188 HA ALA 28 HA ALA 28 55.454 2.358 3.175
189 1HB ALA 28 HB1 ALA 28 53.724 3.254 1.077
190 2HB ALA 28 HB2 ALA 28 54.495 4.635 1.857
191 3HB ALA 28 HB3 ALA 28 53.578 3.478 2.820
192 H LYS 29 HN LYS 29 56.971 2.528 0.155
193 HA LYS 29 HA LYS 29 55.972 -0.086 -0.580
194 1HB LYS 29 HB2 LYS 29 55.421 2.078 -1.977
195 2HB LYS 29 HB1 LYS 29 57.024 1.773 -2.628
196 1HG LYS 29 HG2 LYS 29 56.237 0.207 -3.938
197 2HG LYS 29 HG1 LYS 29 55.584 -0.660 -2.553
198 1HD LYS 29 HD2 LYS 29 54.155 1.683 -3.769
199 2HD LYS 29 HD1 LYS 29 53.926 0.041 -4.373
200 1HE LYS 29 HE2 LYS 29 52.904 -0.673 -2.428
201 2HE LYS 29 HE1 LYS 29 53.658 0.584 -1.450
202 1HZ LYS 29 HZ1 LYS 29 52.215 2.162 -2.856
203 2HZ LYS 29 HZ2 LYS 29 51.480 1.281 -1.612
204 3HZ LYS 29 HZ3 LYS 29 51.309 0.779 -3.219
205 H CYS 30 HN CYS 30 58.457 0.962 0.926
206 HA CYS 30 HA CYS 30 60.562 0.345 -0.926
207 1HB CYS 30 HB2 CYS 30 62.111 0.730 0.913
208 2HB CYS 30 HB1 CYS 30 60.961 2.054 0.705
209 H GLN 31 HN GLN 31 61.377 -1.444 -1.399
210 HA GLN 31 HA GLN 31 61.138 -3.738 0.409
211 1HB GLN 31 HB2 GLN 31 60.223 -3.491 -2.195
212 2HB GLN 31 HB1 GLN 31 61.719 -4.405 -2.355
213 1HG GLN 31 HG2 GLN 31 60.933 -6.146 -1.044
214 2HG GLN 31 HG1 GLN 31 59.653 -5.148 -0.353
215 1HE2 GLN 31 1HE2 GLN 31 60.344 -7.520 -2.547
216 2HE2 GLN 31 2HE2 GLN 31 58.927 -7.398 -3.542
217 H PHE 32 HN PHE 32 63.134 -1.622 -1.305
218 HA PHE 32 HA PHE 32 65.531 -2.741 -0.200
219 1HB PHE 32 HB2 PHE 32 65.113 -2.621 -3.190
220 2HB PHE 32 HB1 PHE 32 66.683 -2.821 -2.425
221 HD1 PHE 32 HD1 PHE 32 63.425 -4.413 -3.032
222 HD2 PHE 32 HD2 PHE 32 67.392 -4.889 -1.584
223 HE1 PHE 32 HE1 PHE 32 63.129 -6.856 -3.039
224 HE2 PHE 32 HE2 PHE 32 67.112 -7.336 -1.601
225 HZ PHE 32 HZ PHE 32 64.976 -8.322 -2.330
226 H ALA 33 HN ALA 33 66.659 -1.070 -2.742
227 HA ALA 33 HA ALA 33 67.628 0.996 -2.881
228 1HB ALA 33 HB1 ALA 33 66.098 2.413 -3.645
229 2HB ALA 33 HB2 ALA 33 65.219 2.431 -2.118
230 3HB ALA 33 HB3 ALA 33 64.931 1.142 -3.284
231 H HIS 34 HN HIS 34 66.871 3.379 -1.594
232 HA HIS 34 HA HIS 34 67.111 4.614 0.278
233 1HB HIS 34 HB2 HIS 34 67.304 1.986 1.773
234 2HB HIS 34 HB1 HIS 34 67.286 3.585 2.515
235 HD1 HIS 34 HD1 HIS 34 64.723 3.210 -0.176
236 HD2 HIS 34 HD2 HIS 34 65.136 2.666 3.891
237 HE1 HIS 34 HE1 HIS 34 62.370 3.252 0.831
238 H GLY 35 HN GLY 35 68.941 3.716 2.557
239 1HA GLY 35 HA2 GLY 35 71.346 4.780 1.608
240 2HA GLY 35 HA1 GLY 35 71.091 3.960 3.157
241 H LEU 36 HN LEU 36 73.255 3.223 2.817
242 HA LEU 36 HA LEU 36 74.175 1.617 0.772
243 1HB LEU 36 HB2 LEU 36 75.451 2.594 2.738
244 2HB LEU 36 HB1 LEU 36 74.902 1.210 3.661
245 HG LEU 36 HG LEU 36 76.497 0.970 1.112
246 1HD1 LEU 36 1HD1 LEU 36 77.524 2.172 3.231
247 2HD1 LEU 36 2HD1 LEU 36 78.460 1.038 2.257
248 3HD1 LEU 36 3HD1 LEU 36 77.727 0.506 3.770
249 1HD2 LEU 36 1HD2 LEU 36 75.149 -0.920 2.804
250 2HD2 LEU 36 2HD2 LEU 36 76.885 -1.207 2.856
251 3HD2 LEU 36 3HD2 LEU 36 76.041 -1.203 1.308
252 H GLY 37 HN GLY 37 73.434 -0.196 0.049
253 1HA GLY 37 HA2 GLY 37 72.431 -2.202 1.906
254 2HA GLY 37 HA1 GLY 37 71.620 -1.894 0.382
255 H GLU 38 HN GLU 38 72.297 -2.990 -1.388
256 HA GLU 38 HA GLU 38 73.444 -4.420 -2.698
257 1HB GLU 38 HB2 GLU 38 75.660 -3.160 -1.156
258 2HB GLU 38 HB1 GLU 38 75.987 -4.384 -2.373
259 1HG GLU 38 HG2 GLU 38 74.418 -2.776 -3.805
260 2HG GLU 38 HG1 GLU 38 75.066 -1.594 -2.670
261 H LEU 39 HN LEU 39 72.786 -5.130 0.333
262 HA LEU 39 HA LEU 39 74.388 -6.987 1.424
263 1HB LEU 39 HB2 LEU 39 71.427 -6.999 1.082
264 2HB LEU 39 HB1 LEU 39 72.226 -8.321 1.912
265 HG LEU 39 HG LEU 39 72.578 -5.462 2.731
266 1HD1 LEU 39 1HD1 LEU 39 70.829 -7.118 4.385
267 2HD1 LEU 39 2HD1 LEU 39 70.164 -6.731 2.799
268 3HD1 LEU 39 3HD1 LEU 39 70.659 -5.435 3.888
269 1HD2 LEU 39 1HD2 LEU 39 72.825 -7.887 4.463
270 2HD2 LEU 39 2HD2 LEU 39 73.531 -6.286 4.682
271 3HD2 LEU 39 3HD2 LEU 39 74.165 -7.367 3.441
272 H ARG 40 HN ARG 40 71.927 -7.935 -0.857
273 HA ARG 40 HA ARG 40 73.172 -10.484 -1.312
274 1HB ARG 40 HB2 ARG 40 71.326 -10.891 -2.887
275 2HB ARG 40 HB1 ARG 40 70.766 -10.373 -1.303
276 1HG ARG 40 HG2 ARG 40 69.466 -9.015 -2.529
277 2HG ARG 40 HG1 ARG 40 70.909 -8.001 -2.522
278 1HD ARG 40 HD2 ARG 40 70.577 -8.018 -4.752
279 2HD ARG 40 HD1 ARG 40 71.467 -9.525 -4.640
280 HE ARG 40 HE ARG 40 68.555 -9.269 -4.930
281 1HH1 ARG 40 1HH1 ARG 40 71.456 -11.220 -5.078
282 2HH1 ARG 40 2HH1 ARG 40 70.694 -12.498 -5.958
283 1HH2 ARG 40 1HH2 ARG 40 67.575 -10.944 -6.108
284 2HH2 ARG 40 2HH2 ARG 40 68.494 -12.346 -6.539
285 H GLN 41 HN GLN 41 74.633 -8.003 -2.151
286 HA GLN 41 HA GLN 41 75.523 -9.004 -4.658
287 1HB GLN 41 HB2 GLN 41 74.259 -6.276 -4.443
288 2HB GLN 41 HB1 GLN 41 75.325 -6.738 -5.762
289 1HG GLN 41 HG2 GLN 41 73.464 -8.776 -5.667
290 2HG GLN 41 HG1 GLN 41 72.523 -7.323 -5.351
291 1HE2 GLN 41 1HE2 GLN 41 73.313 -9.310 -7.706
292 2HE2 GLN 41 2HE2 GLN 41 73.392 -8.232 -9.054
293 H ALA 42 HN ALA 42 77.210 -9.315 -2.964
294 HA ALA 42 HA ALA 42 78.623 -7.494 -1.573
295 1HB ALA 42 HB1 ALA 42 80.667 -8.868 -2.068
296 2HB ALA 42 HB2 ALA 42 79.684 -9.786 -3.207
297 3HB ALA 42 HB3 ALA 42 79.268 -9.775 -1.493
298 H ASN 43 HN ASN 43 80.214 -5.985 -1.886
299 HA ASN 43 HA ASN 43 80.246 -4.695 -4.451
300 1HB ASN 43 HB2 ASN 43 80.918 -4.003 -1.733
301 2HB ASN 43 HB1 ASN 43 82.231 -3.542 -2.811
302 1HD2 ASN 43 1HD2 ASN 43 79.110 -2.807 -1.689
303 2HD2 ASN 43 2HD2 ASN 43 78.806 -1.449 -2.713
Start of MODEL 16
1 H MET 4 HT1 MET 4 57.596 -21.740 -6.320
2 HA MET 4 HA MET 4 56.687 -21.128 -8.551
3 1HB MET 4 HB2 MET 4 55.772 -18.963 -7.093
4 2HB MET 4 HB1 MET 4 57.160 -18.302 -7.945
5 1HG MET 4 HG2 MET 4 55.232 -17.914 -9.273
6 2HG MET 4 HG1 MET 4 56.188 -19.163 -10.065
7 1HE MET 4 HE1 MET 4 52.271 -19.838 -10.688
8 2HE MET 4 HE2 MET 4 53.801 -19.746 -11.560
9 3HE MET 4 HE3 MET 4 53.222 -18.354 -10.647
10 H THR 5 HN THR 5 58.279 -20.647 -10.090
11 HA THR 5 HA THR 5 60.981 -20.702 -9.056
12 HB THR 5 HB THR 5 60.427 -22.167 -10.919
13 HG1 THR 5 HG1 THR 5 62.542 -21.053 -10.789
14 1HG2 THR 5 1HG2 THR 5 58.705 -20.625 -11.943
15 2HG2 THR 5 2HG2 THR 5 59.783 -21.459 -13.060
16 3HG2 THR 5 3HG2 THR 5 60.058 -19.761 -12.670
17 H THR 6 HN THR 6 62.354 -19.039 -8.935
18 HA THR 6 HA THR 6 61.417 -16.405 -9.692
19 HB THR 6 HB THR 6 63.322 -15.561 -8.474
20 HG1 THR 6 HG1 THR 6 64.192 -18.241 -8.169
21 1HG2 THR 6 1HG2 THR 6 61.835 -17.789 -7.164
22 2HG2 THR 6 2HG2 THR 6 61.732 -16.051 -6.889
23 3HG2 THR 6 3HG2 THR 6 63.128 -16.954 -6.302
24 H SER 7 HN SER 7 62.448 -14.987 -11.095
25 HA SER 7 HA SER 7 64.775 -15.767 -12.580
26 1HB SER 7 HB2 SER 7 63.218 -15.344 -14.764
27 2HB SER 7 HB1 SER 7 63.596 -16.944 -14.129
28 HG SER 7 HG SER 7 61.361 -15.479 -13.221
29 H SER 8 HN SER 8 64.337 -13.618 -10.945
30 HA SER 8 HA SER 8 65.070 -11.448 -12.569
31 1HB SER 8 HB2 SER 8 63.009 -10.003 -11.948
32 2HB SER 8 HB1 SER 8 62.858 -11.134 -13.293
33 HG SER 8 HG SER 8 61.124 -11.615 -12.126
34 H ARG 9 HN ARG 9 63.086 -11.814 -9.626
35 HA ARG 9 HA ARG 9 63.466 -11.250 -7.456
36 1HB ARG 9 HB2 ARG 9 65.550 -12.557 -7.753
37 2HB ARG 9 HB1 ARG 9 66.375 -11.101 -8.290
38 1HG ARG 9 HG2 ARG 9 66.978 -11.432 -6.037
39 2HG ARG 9 HG1 ARG 9 65.830 -10.094 -6.049
40 1HD ARG 9 HD2 ARG 9 64.918 -11.301 -4.356
41 2HD ARG 9 HD1 ARG 9 64.116 -12.106 -5.703
42 HE ARG 9 HE ARG 9 66.277 -13.170 -4.065
43 1HH1 ARG 9 1HH1 ARG 9 64.163 -13.566 -6.816
44 2HH1 ARG 9 2HH1 ARG 9 64.531 -15.244 -7.007
45 1HH2 ARG 9 1HH2 ARG 9 66.758 -15.388 -4.331
46 2HH2 ARG 9 2HH2 ARG 9 65.986 -16.279 -5.601
47 H TYR 10 HN TYR 10 63.939 -9.457 -6.079
48 HA TYR 10 HA TYR 10 63.566 -6.947 -7.432
49 1HB TYR 10 HB2 TYR 10 63.315 -8.033 -4.696
50 2HB TYR 10 HB1 TYR 10 63.719 -6.331 -4.806
51 HD1 TYR 10 HD1 TYR 10 61.888 -4.936 -4.616
52 HD2 TYR 10 HD2 TYR 10 61.462 -8.669 -6.609
53 HE1 TYR 10 HE1 TYR 10 59.528 -4.410 -5.069
54 HE2 TYR 10 HE2 TYR 10 59.096 -8.158 -7.065
55 HH TYR 10 HH TYR 10 57.675 -6.050 -7.290
56 H LYS 11 HN LYS 11 64.852 -5.253 -5.604
57 HA LYS 11 HA LYS 11 67.420 -5.187 -6.748
58 1HB LYS 11 HB2 LYS 11 66.643 -3.532 -4.386
59 2HB LYS 11 HB1 LYS 11 67.667 -3.106 -5.750
60 1HG LYS 11 HG2 LYS 11 65.235 -3.620 -6.933
61 2HG LYS 11 HG1 LYS 11 64.799 -2.819 -5.411
62 1HD LYS 11 HD2 LYS 11 65.131 -0.961 -6.669
63 2HD LYS 11 HD1 LYS 11 66.803 -1.226 -6.171
64 1HE LYS 11 HE2 LYS 11 67.056 -2.617 -8.275
65 2HE LYS 11 HE1 LYS 11 65.502 -1.955 -8.780
66 1HZ LYS 11 HZ1 LYS 11 66.874 0.252 -8.063
67 2HZ LYS 11 HZ2 LYS 11 66.734 -0.325 -9.647
68 3HZ LYS 11 HZ3 LYS 11 68.099 -0.710 -8.725
69 H THR 12 HN THR 12 69.044 -4.285 -4.764
70 HA THR 12 HA THR 12 69.292 -6.573 -2.933
71 HB THR 12 HB THR 12 70.911 -6.928 -4.655
72 HG1 THR 12 HG1 THR 12 71.985 -5.880 -2.272
73 1HG2 THR 12 1HG2 THR 12 70.960 -4.185 -4.966
74 2HG2 THR 12 2HG2 THR 12 71.963 -5.364 -5.805
75 3HG2 THR 12 3HG2 THR 12 72.558 -4.583 -4.340
76 H GLU 13 HN GLU 13 68.362 -3.650 -2.713
77 HA GLU 13 HA GLU 13 70.296 -2.734 -0.787
78 1HB GLU 13 HB2 GLU 13 68.530 -1.429 -2.649
79 2HB GLU 13 HB1 GLU 13 68.408 -0.763 -1.035
80 1HG GLU 13 HG2 GLU 13 70.597 -0.034 -1.016
81 2HG GLU 13 HG1 GLU 13 71.083 -1.179 -2.265
82 H LEU 14 HN LEU 14 68.798 -1.127 0.874
83 HA LEU 14 HA LEU 14 66.588 -2.596 1.977
84 1HB LEU 14 HB2 LEU 14 67.819 -2.881 4.206
85 2HB LEU 14 HB1 LEU 14 68.129 -4.043 2.923
86 HG LEU 14 HG LEU 14 70.156 -3.272 4.206
87 1HD1 LEU 14 1HD1 LEU 14 71.471 -3.599 2.398
88 2HD1 LEU 14 2HD1 LEU 14 70.600 -2.411 1.431
89 3HD1 LEU 14 3HD1 LEU 14 69.930 -4.018 1.653
90 1HD2 LEU 14 1HD2 LEU 14 69.856 -0.735 2.620
91 2HD2 LEU 14 2HD2 LEU 14 71.043 -1.113 3.866
92 3HD2 LEU 14 3HD2 LEU 14 69.350 -0.874 4.303
93 H CYS 15 HN CYS 15 65.635 -1.619 3.795
94 HA CYS 15 HA CYS 15 65.800 1.208 3.837
95 1HB CYS 15 HB2 CYS 15 63.674 -0.155 4.038
96 2HB CYS 15 HB1 CYS 15 64.206 -0.652 5.641
97 H ARG 16 HN ARG 16 67.985 1.637 4.707
98 HA ARG 16 HA ARG 16 68.801 0.430 7.134
99 1HB ARG 16 HB2 ARG 16 69.941 2.370 5.197
100 2HB ARG 16 HB1 ARG 16 70.500 2.528 6.849
101 1HG ARG 16 HG2 ARG 16 70.726 0.115 5.108
102 2HG ARG 16 HG1 ARG 16 72.027 1.148 5.679
103 1HD ARG 16 HD2 ARG 16 70.291 -0.114 7.717
104 2HD ARG 16 HD1 ARG 16 71.399 -1.164 6.846
105 HE ARG 16 HE ARG 16 72.141 1.082 8.584
106 1HH1 ARG 16 1HH1 ARG 16 73.054 -1.751 6.752
107 2HH1 ARG 16 2HH1 ARG 16 74.645 -1.822 7.426
108 1HH2 ARG 16 1HH2 ARG 16 74.242 0.992 9.452
109 2HH2 ARG 16 2HH2 ARG 16 75.324 -0.261 8.943
110 H THR 17 HN THR 17 69.433 3.794 7.040
111 HA THR 17 HA THR 17 68.295 4.224 9.605
112 HB THR 17 HB THR 17 70.398 5.313 8.862
113 HG1 THR 17 HG1 THR 17 68.254 6.991 9.635
114 1HG2 THR 17 1HG2 THR 17 69.682 7.587 7.579
115 2HG2 THR 17 2HG2 THR 17 68.647 6.401 6.789
116 3HG2 THR 17 3HG2 THR 17 70.395 6.174 6.801
117 H TYR 18 HN TYR 18 67.214 4.456 6.463
118 HA TYR 18 HA TYR 18 65.443 6.547 6.343
119 1HB TYR 18 HB2 TYR 18 65.626 3.803 5.179
120 2HB TYR 18 HB1 TYR 18 64.330 4.885 4.712
121 HD1 TYR 18 HD1 TYR 18 64.844 5.331 2.498
122 HD2 TYR 18 HD2 TYR 18 67.887 5.734 5.399
123 HE1 TYR 18 HE1 TYR 18 66.249 6.466 0.838
124 HE2 TYR 18 HE2 TYR 18 69.341 6.821 3.744
125 HH TYR 18 HH TYR 18 68.263 7.338 0.405
126 H SER 19 HN SER 19 64.965 3.241 7.527
127 HA SER 19 HA SER 19 62.233 3.287 7.899
128 1HB SER 19 HB2 SER 19 64.199 1.426 8.206
129 2HB SER 19 HB1 SER 19 63.719 1.710 9.879
130 HG SER 19 HG SER 19 61.513 1.356 9.108
131 H GLU 20 HN GLU 20 64.721 4.672 9.792
132 HA GLU 20 HA GLU 20 63.334 4.902 12.244
133 1HB GLU 20 HB2 GLU 20 65.861 5.728 11.166
134 2HB GLU 20 HB1 GLU 20 65.111 7.098 11.974
135 1HG GLU 20 HG2 GLU 20 65.688 6.293 13.938
136 2HG GLU 20 HG1 GLU 20 64.810 4.794 13.613
137 H SER 21 HN SER 21 63.711 7.016 9.470
138 HA SER 21 HA SER 21 61.339 8.136 9.123
139 1HB SER 21 HB2 SER 21 61.276 10.254 10.487
140 2HB SER 21 HB1 SER 21 61.028 8.788 11.428
141 HG SER 21 HG SER 21 63.656 9.413 11.281
142 H GLY 22 HN GLY 22 64.284 7.943 8.247
143 1HA GLY 22 HA2 GLY 22 65.155 10.548 7.683
144 2HA GLY 22 HA1 GLY 22 65.760 9.082 6.936
145 H ARG 23 HN ARG 23 64.990 8.458 4.999
146 HA ARG 23 HA ARG 23 63.307 10.395 3.565
147 1HB ARG 23 HB2 ARG 23 65.672 10.237 2.837
148 2HB ARG 23 HB1 ARG 23 65.395 8.563 2.434
149 1HG ARG 23 HG2 ARG 23 63.584 10.531 1.183
150 2HG ARG 23 HG1 ARG 23 65.259 10.526 0.639
151 1HD ARG 23 HD2 ARG 23 65.047 8.071 0.222
152 2HD ARG 23 HD1 ARG 23 63.334 8.217 0.616
153 HE ARG 23 HE ARG 23 62.978 9.054 -1.462
154 1HH1 ARG 23 1HH1 ARG 23 66.343 9.477 -0.669
155 2HH1 ARG 23 2HH1 ARG 23 66.771 10.061 -2.242
156 1HH2 ARG 23 1HH2 ARG 23 63.533 9.822 -3.534
157 2HH2 ARG 23 2HH2 ARG 23 65.176 10.254 -3.870
158 H CYS 24 HN CYS 24 64.330 7.110 3.330
159 HA CYS 24 HA CYS 24 63.297 5.144 2.811
160 1HB CYS 24 HB2 CYS 24 61.020 6.760 3.726
161 2HB CYS 24 HB1 CYS 24 60.616 5.448 2.641
162 H ARG 25 HN ARG 25 64.278 5.456 0.780
163 HA ARG 25 HA ARG 25 63.481 6.948 -1.330
164 1HB ARG 25 HB2 ARG 25 65.543 5.836 -1.440
165 2HB ARG 25 HB1 ARG 25 64.810 4.272 -1.195
166 1HG ARG 25 HG2 ARG 25 65.536 4.458 -3.458
167 2HG ARG 25 HG1 ARG 25 63.768 4.456 -3.430
168 1HD ARG 25 HD2 ARG 25 64.195 6.191 -4.878
169 2HD ARG 25 HD1 ARG 25 64.055 7.048 -3.338
170 HE ARG 25 HE ARG 25 66.183 7.737 -3.658
171 1HH1 ARG 25 1HH1 ARG 25 65.845 4.660 -5.291
172 2HH1 ARG 25 2HH1 ARG 25 67.480 4.651 -5.858
173 1HH2 ARG 25 1HH2 ARG 25 68.309 7.725 -4.429
174 2HH2 ARG 25 2HH2 ARG 25 68.872 6.392 -5.381
175 H TYR 26 HN TYR 26 61.820 4.276 -0.091
176 HA TYR 26 HA TYR 26 59.686 4.563 -2.060
177 1HB TYR 26 HB2 TYR 26 60.759 1.886 -1.126
178 2HB TYR 26 HB1 TYR 26 59.346 2.102 -2.139
179 HD1 TYR 26 HD1 TYR 26 60.613 4.218 -3.984
180 HD2 TYR 26 HD2 TYR 26 61.981 0.463 -2.521
181 HE1 TYR 26 HE1 TYR 26 62.044 3.969 -5.970
182 HE2 TYR 26 HE2 TYR 26 63.424 0.217 -4.492
183 HH TYR 26 HH TYR 26 63.702 1.002 -6.684
184 H GLY 27 HN GLY 27 59.622 5.835 0.223
185 1HA GLY 27 HA2 GLY 27 59.113 4.881 2.655
186 2HA GLY 27 HA1 GLY 27 58.147 6.176 1.992
187 H ALA 28 HN ALA 28 56.848 4.330 0.027
188 HA ALA 28 HA ALA 28 55.141 2.905 1.964
189 1HB ALA 28 HB1 ALA 28 53.343 3.153 0.205
190 2HB ALA 28 HB2 ALA 28 54.422 4.285 -0.608
191 3HB ALA 28 HB3 ALA 28 53.841 4.633 1.020
192 H LYS 29 HN LYS 29 57.249 2.521 -0.619
193 HA LYS 29 HA LYS 29 56.369 -0.200 -1.059
194 1HB LYS 29 HB2 LYS 29 56.068 1.697 -2.884
195 2HB LYS 29 HB1 LYS 29 57.728 1.251 -3.240
196 1HG LYS 29 HG2 LYS 29 57.074 -0.542 -4.306
197 2HG LYS 29 HG1 LYS 29 56.186 -1.094 -2.892
198 1HD LYS 29 HD2 LYS 29 55.038 0.985 -4.720
199 2HD LYS 29 HD1 LYS 29 54.881 -0.734 -5.084
200 1HE LYS 29 HE2 LYS 29 54.202 -0.246 -2.338
201 2HE LYS 29 HE1 LYS 29 53.269 0.822 -3.386
202 1HZ LYS 29 HZ1 LYS 29 53.056 -1.509 -4.678
203 2HZ LYS 29 HZ2 LYS 29 51.929 -0.953 -3.547
204 3HZ LYS 29 HZ3 LYS 29 53.127 -2.052 -3.077
205 H CYS 30 HN CYS 30 58.508 0.847 0.722
206 HA CYS 30 HA CYS 30 60.893 0.223 -0.776
207 1HB CYS 30 HB2 CYS 30 62.188 0.779 1.167
208 2HB CYS 30 HB1 CYS 30 61.030 2.047 0.748
209 H GLN 31 HN GLN 31 61.424 -1.689 -1.208
210 HA GLN 31 HA GLN 31 61.311 -3.803 0.828
211 1HB GLN 31 HB2 GLN 31 60.478 -3.768 -1.885
212 2HB GLN 31 HB1 GLN 31 61.830 -4.889 -1.743
213 1HG GLN 31 HG2 GLN 31 60.268 -5.531 0.408
214 2HG GLN 31 HG1 GLN 31 59.086 -5.106 -0.831
215 1HE2 GLN 31 1HE2 GLN 31 59.564 -6.112 -3.023
216 2HE2 GLN 31 2HE2 GLN 31 60.057 -7.778 -3.015
217 H PHE 32 HN PHE 32 63.182 -1.741 -1.030
218 HA PHE 32 HA PHE 32 65.651 -2.803 -0.044
219 1HB PHE 32 HB2 PHE 32 65.097 -2.721 -3.015
220 2HB PHE 32 HB1 PHE 32 66.693 -2.921 -2.309
221 HD1 PHE 32 HD1 PHE 32 63.438 -4.510 -2.854
222 HD2 PHE 32 HD2 PHE 32 67.401 -4.977 -1.389
223 HE1 PHE 32 HE1 PHE 32 63.146 -6.956 -2.838
224 HE2 PHE 32 HE2 PHE 32 67.120 -7.417 -1.367
225 HZ PHE 32 HZ PHE 32 64.989 -8.410 -2.095
226 H ALA 33 HN ALA 33 66.727 -1.179 -2.584
227 HA ALA 33 HA ALA 33 67.661 0.906 -2.763
228 1HB ALA 33 HB1 ALA 33 65.550 1.337 -3.790
229 2HB ALA 33 HB2 ALA 33 65.956 2.724 -2.783
230 3HB ALA 33 HB3 ALA 33 64.773 1.546 -2.221
231 H HIS 34 HN HIS 34 66.837 3.289 -1.447
232 HA HIS 34 HA HIS 34 67.034 4.491 0.466
233 1HB HIS 34 HB2 HIS 34 67.067 1.759 1.757
234 2HB HIS 34 HB1 HIS 34 67.274 3.248 2.680
235 HD1 HIS 34 HD1 HIS 34 64.621 3.213 -0.015
236 HD2 HIS 34 HD2 HIS 34 65.047 2.688 4.051
237 HE1 HIS 34 HE1 HIS 34 62.291 3.435 1.017
238 H GLY 35 HN GLY 35 68.708 4.138 2.679
239 1HA GLY 35 HA2 GLY 35 71.220 4.879 1.758
240 2HA GLY 35 HA1 GLY 35 70.818 4.381 3.406
241 H LEU 36 HN LEU 36 72.493 3.595 0.612
242 HA LEU 36 HA LEU 36 73.743 1.811 -0.038
243 1HB LEU 36 HB2 LEU 36 74.570 2.494 2.347
244 2HB LEU 36 HB1 LEU 36 73.854 0.971 2.829
245 HG LEU 36 HG LEU 36 75.810 1.007 0.569
246 1HD1 LEU 36 1HD1 LEU 36 76.766 0.663 3.374
247 2HD1 LEU 36 2HD1 LEU 36 76.636 2.283 2.686
248 3HD1 LEU 36 3HD1 LEU 36 77.673 1.080 1.920
249 1HD2 LEU 36 1HD2 LEU 36 74.490 -0.951 2.256
250 2HD2 LEU 36 2HD2 LEU 36 76.241 -1.164 2.240
251 3HD2 LEU 36 3HD2 LEU 36 75.339 -1.170 0.726
252 H GLY 37 HN GLY 37 73.902 -0.502 -0.144
253 1HA GLY 37 HA2 GLY 37 72.411 -2.411 1.037
254 2HA GLY 37 HA1 GLY 37 71.342 -1.724 -0.159
255 H GLU 38 HN GLU 38 74.017 -3.732 0.438
256 HA GLU 38 HA GLU 38 73.890 -4.660 -2.335
257 1HB GLU 38 HB2 GLU 38 76.592 -4.338 -1.044
258 2HB GLU 38 HB1 GLU 38 76.195 -4.523 -2.745
259 1HG GLU 38 HG2 GLU 38 74.971 -2.174 -2.207
260 2HG GLU 38 HG1 GLU 38 76.335 -2.100 -1.093
261 H LEU 39 HN LEU 39 72.685 -5.820 -0.154
262 HA LEU 39 HA LEU 39 74.295 -7.817 1.078
263 1HB LEU 39 HB2 LEU 39 71.312 -7.915 0.683
264 2HB LEU 39 HB1 LEU 39 72.251 -8.745 1.912
265 HG LEU 39 HG LEU 39 72.559 -5.841 1.951
266 1HD1 LEU 39 1HD1 LEU 39 70.337 -5.515 3.074
267 2HD1 LEU 39 2HD1 LEU 39 69.865 -7.096 2.449
268 3HD1 LEU 39 3HD1 LEU 39 70.259 -5.790 1.333
269 1HD2 LEU 39 1HD2 LEU 39 71.775 -7.827 4.075
270 2HD2 LEU 39 2HD2 LEU 39 72.333 -6.174 4.330
271 3HD2 LEU 39 3HD2 LEU 39 73.429 -7.381 3.660
272 H ARG 40 HN ARG 40 73.057 -7.507 -2.026
273 HA ARG 40 HA ARG 40 73.567 -10.339 -2.581
274 1HB ARG 40 HB2 ARG 40 71.624 -9.189 -4.405
275 2HB ARG 40 HB1 ARG 40 71.555 -10.691 -3.500
276 1HG ARG 40 HG2 ARG 40 71.045 -8.131 -2.059
277 2HG ARG 40 HG1 ARG 40 69.796 -8.785 -3.119
278 1HD ARG 40 HD2 ARG 40 70.418 -11.009 -1.764
279 2HD ARG 40 HD1 ARG 40 70.823 -9.806 -0.541
280 HE ARG 40 HE ARG 40 68.174 -10.040 -1.818
281 1HH1 ARG 40 1HH1 ARG 40 70.155 -9.354 0.988
282 2HH1 ARG 40 2HH1 ARG 40 68.803 -8.928 1.979
283 1HH2 ARG 40 1HH2 ARG 40 66.417 -9.473 -0.506
284 2HH2 ARG 40 2HH2 ARG 40 66.687 -9.001 1.138
285 H GLN 41 HN GLN 41 75.274 -7.977 -2.852
286 HA GLN 41 HA GLN 41 76.077 -8.407 -5.562
287 1HB GLN 41 HB2 GLN 41 75.144 -5.740 -4.538
288 2HB GLN 41 HB1 GLN 41 76.292 -5.860 -5.871
289 1HG GLN 41 HG2 GLN 41 73.807 -7.451 -6.066
290 2HG GLN 41 HG1 GLN 41 73.679 -5.705 -6.247
291 1HE2 GLN 41 1HE2 GLN 41 73.841 -8.380 -7.975
292 2HE2 GLN 41 2HE2 GLN 41 74.707 -7.829 -9.364
293 H ALA 42 HN ALA 42 76.639 -6.187 -2.868
294 HA ALA 42 HA ALA 42 78.500 -5.542 -1.746
295 1HB ALA 42 HB1 ALA 42 80.163 -7.833 -2.521
296 2HB ALA 42 HB2 ALA 42 78.614 -8.255 -1.789
297 3HB ALA 42 HB3 ALA 42 79.746 -7.214 -0.923
298 H ASN 43 HN ASN 43 79.565 -3.855 -2.543
299 HA ASN 43 HA ASN 43 80.693 -3.905 -5.199
300 1HB ASN 43 HB2 ASN 43 80.086 -1.855 -3.173
301 2HB ASN 43 HB1 ASN 43 81.537 -1.538 -4.117
302 1HD2 ASN 43 1HD2 ASN 43 80.413 0.287 -4.960
303 2HD2 ASN 43 2HD2 ASN 43 79.275 0.090 -6.246
Start of MODEL 17
1 H MET 4 HT1 MET 4 73.185 -10.922 -12.891
2 HA MET 4 HA MET 4 71.809 -9.224 -12.955
3 1HB MET 4 HB2 MET 4 72.003 -8.033 -15.054
4 2HB MET 4 HB1 MET 4 73.504 -8.890 -14.719
5 1HG MET 4 HG2 MET 4 73.309 -9.493 -16.870
6 2HG MET 4 HG1 MET 4 72.256 -10.740 -16.204
7 1HE MET 4 HE1 MET 4 70.977 -6.926 -18.395
8 2HE MET 4 HE2 MET 4 72.387 -7.869 -18.879
9 3HE MET 4 HE3 MET 4 72.346 -7.087 -17.298
10 H THR 5 HN THR 5 70.779 -11.655 -15.307
11 HA THR 5 HA THR 5 68.251 -10.530 -15.871
12 HB THR 5 HB THR 5 67.650 -12.908 -16.535
13 HG1 THR 5 HG1 THR 5 69.372 -13.714 -14.977
14 1HG2 THR 5 1HG2 THR 5 69.884 -12.965 -18.116
15 2HG2 THR 5 2HG2 THR 5 69.725 -11.255 -17.713
16 3HG2 THR 5 3HG2 THR 5 68.382 -12.112 -18.473
17 H THR 6 HN THR 6 66.459 -10.382 -14.622
18 HA THR 6 HA THR 6 66.115 -12.373 -12.501
19 HB THR 6 HB THR 6 66.952 -10.684 -11.164
20 HG1 THR 6 HG1 THR 6 65.134 -9.812 -10.077
21 1HG2 THR 6 1HG2 THR 6 67.075 -8.893 -12.838
22 2HG2 THR 6 2HG2 THR 6 66.447 -8.338 -11.287
23 3HG2 THR 6 3HG2 THR 6 65.346 -8.609 -12.634
24 H SER 7 HN SER 7 64.350 -9.449 -13.589
25 HA SER 7 HA SER 7 62.161 -9.131 -14.112
26 1HB SER 7 HB2 SER 7 62.356 -11.928 -15.250
27 2HB SER 7 HB1 SER 7 61.197 -10.681 -15.705
28 HG SER 7 HG SER 7 63.792 -11.026 -16.491
29 H SER 8 HN SER 8 62.914 -10.735 -11.553
30 HA SER 8 HA SER 8 60.170 -11.267 -10.810
31 1HB SER 8 HB2 SER 8 61.636 -13.421 -11.669
32 2HB SER 8 HB1 SER 8 61.921 -13.456 -9.930
33 HG SER 8 HG SER 8 59.706 -13.545 -9.596
34 H ARG 9 HN ARG 9 63.561 -11.521 -9.771
35 HA ARG 9 HA ARG 9 62.867 -11.008 -7.022
36 1HB ARG 9 HB2 ARG 9 64.740 -12.506 -7.575
37 2HB ARG 9 HB1 ARG 9 65.578 -11.175 -8.355
38 1HG ARG 9 HG2 ARG 9 66.486 -11.616 -6.147
39 2HG ARG 9 HG1 ARG 9 65.754 -10.014 -6.220
40 1HD ARG 9 HD2 ARG 9 64.844 -10.708 -4.260
41 2HD ARG 9 HD1 ARG 9 63.641 -11.382 -5.354
42 HE ARG 9 HE ARG 9 65.697 -12.860 -3.894
43 1HH1 ARG 9 1HH1 ARG 9 62.997 -12.916 -6.125
44 2HH1 ARG 9 2HH1 ARG 9 62.732 -14.616 -5.943
45 1HH2 ARG 9 1HH2 ARG 9 65.330 -15.099 -3.666
46 2HH2 ARG 9 2HH2 ARG 9 64.040 -15.848 -4.549
47 H TYR 10 HN TYR 10 63.527 -9.194 -5.815
48 HA TYR 10 HA TYR 10 63.351 -6.737 -7.316
49 1HB TYR 10 HB2 TYR 10 62.993 -7.633 -4.531
50 2HB TYR 10 HB1 TYR 10 63.532 -5.977 -4.741
51 HD1 TYR 10 HD1 TYR 10 61.766 -4.456 -4.594
52 HD2 TYR 10 HD2 TYR 10 61.152 -8.212 -6.490
53 HE1 TYR 10 HE1 TYR 10 59.451 -3.799 -5.125
54 HE2 TYR 10 HE2 TYR 10 58.840 -7.569 -7.030
55 HH TYR 10 HH TYR 10 57.240 -5.064 -5.611
56 H LYS 11 HN LYS 11 64.742 -5.027 -5.625
57 HA LYS 11 HA LYS 11 67.308 -5.158 -6.728
58 1HB LYS 11 HB2 LYS 11 66.620 -3.482 -4.351
59 2HB LYS 11 HB1 LYS 11 67.741 -3.121 -5.653
60 1HG LYS 11 HG2 LYS 11 65.663 -3.107 -7.161
61 2HG LYS 11 HG1 LYS 11 64.755 -2.977 -5.642
62 1HD LYS 11 HD2 LYS 11 65.553 -0.889 -5.178
63 2HD LYS 11 HD1 LYS 11 67.064 -1.148 -6.051
64 1HE LYS 11 HE2 LYS 11 65.499 -1.226 -8.138
65 2HE LYS 11 HE1 LYS 11 64.377 -0.362 -7.086
66 1HZ LYS 11 HZ1 LYS 11 66.717 0.595 -8.409
67 2HZ LYS 11 HZ2 LYS 11 66.764 0.926 -6.749
68 3HZ LYS 11 HZ3 LYS 11 65.458 1.466 -7.682
69 H THR 12 HN THR 12 68.941 -4.300 -4.679
70 HA THR 12 HA THR 12 69.144 -6.657 -2.938
71 HB THR 12 HB THR 12 70.768 -6.940 -4.651
72 HG1 THR 12 HG1 THR 12 71.452 -7.186 -2.406
73 1HG2 THR 12 1HG2 THR 12 71.541 -5.225 -5.795
74 2HG2 THR 12 2HG2 THR 12 72.573 -4.838 -4.418
75 3HG2 THR 12 3HG2 THR 12 70.985 -4.086 -4.575
76 H GLU 13 HN GLU 13 68.635 -3.424 -2.903
77 HA GLU 13 HA GLU 13 70.402 -2.741 -0.788
78 1HB GLU 13 HB2 GLU 13 68.548 -1.331 -2.538
79 2HB GLU 13 HB1 GLU 13 68.601 -0.721 -0.900
80 1HG GLU 13 HG2 GLU 13 70.649 0.154 -1.133
81 2HG GLU 13 HG1 GLU 13 71.226 -1.212 -2.081
82 H LEU 14 HN LEU 14 68.881 -1.209 0.956
83 HA LEU 14 HA LEU 14 66.653 -2.724 1.958
84 1HB LEU 14 HB2 LEU 14 67.880 -3.007 4.229
85 2HB LEU 14 HB1 LEU 14 68.087 -4.200 2.962
86 HG LEU 14 HG LEU 14 70.160 -3.585 4.209
87 1HD1 LEU 14 1HD1 LEU 14 69.904 -4.353 1.703
88 2HD1 LEU 14 2HD1 LEU 14 71.470 -3.982 2.423
89 3HD1 LEU 14 3HD1 LEU 14 70.647 -2.791 1.415
90 1HD2 LEU 14 1HD2 LEU 14 71.138 -1.366 3.062
91 2HD2 LEU 14 2HD2 LEU 14 70.338 -1.400 4.627
92 3HD2 LEU 14 3HD2 LEU 14 69.445 -0.917 3.194
93 H CYS 15 HN CYS 15 65.616 -1.740 3.795
94 HA CYS 15 HA CYS 15 65.887 1.077 3.844
95 1HB CYS 15 HB2 CYS 15 63.671 -0.109 3.945
96 2HB CYS 15 HB1 CYS 15 64.108 -0.677 5.552
97 H ARG 16 HN ARG 16 68.035 1.374 4.763
98 HA ARG 16 HA ARG 16 68.772 0.210 7.205
99 1HB ARG 16 HB2 ARG 16 69.891 2.215 5.305
100 2HB ARG 16 HB1 ARG 16 70.536 2.181 6.942
101 1HG ARG 16 HG2 ARG 16 70.304 -0.469 5.835
102 2HG ARG 16 HG1 ARG 16 71.327 0.575 4.846
103 1HD ARG 16 HD2 ARG 16 71.847 0.899 7.663
104 2HD ARG 16 HD1 ARG 16 72.039 -0.776 7.158
105 HE ARG 16 HE ARG 16 73.547 0.166 5.380
106 1HH1 ARG 16 1HH1 ARG 16 73.098 1.791 8.442
107 2HH1 ARG 16 2HH1 ARG 16 74.650 2.549 8.403
108 1HH2 ARG 16 1HH2 ARG 16 75.592 1.133 5.349
109 2HH2 ARG 16 2HH2 ARG 16 76.072 2.169 6.650
110 H THR 17 HN THR 17 69.383 3.585 7.071
111 HA THR 17 HA THR 17 68.254 3.983 9.652
112 HB THR 17 HB THR 17 70.374 5.058 8.946
113 HG1 THR 17 HG1 THR 17 69.830 7.131 9.776
114 1HG2 THR 17 1HG2 THR 17 69.934 7.293 7.655
115 2HG2 THR 17 2HG2 THR 17 68.605 6.372 6.953
116 3HG2 THR 17 3HG2 THR 17 70.265 5.794 6.792
117 H TYR 18 HN TYR 18 67.323 4.406 6.450
118 HA TYR 18 HA TYR 18 65.553 6.448 6.306
119 1HB TYR 18 HB2 TYR 18 65.570 3.673 5.168
120 2HB TYR 18 HB1 TYR 18 64.419 4.879 4.654
121 HD1 TYR 18 HD1 TYR 18 65.037 5.118 2.426
122 HD2 TYR 18 HD2 TYR 18 68.034 5.491 5.397
123 HE1 TYR 18 HE1 TYR 18 66.574 6.046 0.759
124 HE2 TYR 18 HE2 TYR 18 69.594 6.354 3.742
125 HH TYR 18 HH TYR 18 68.851 7.655 1.016
126 H SER 19 HN SER 19 64.859 3.104 7.301
127 HA SER 19 HA SER 19 62.186 3.187 7.772
128 1HB SER 19 HB2 SER 19 64.036 1.305 8.122
129 2HB SER 19 HB1 SER 19 63.816 1.764 9.809
130 HG SER 19 HG SER 19 61.826 0.867 7.997
131 H GLU 20 HN GLU 20 64.443 5.066 9.431
132 HA GLU 20 HA GLU 20 62.730 5.378 11.771
133 1HB GLU 20 HB2 GLU 20 65.536 5.454 11.391
134 2HB GLU 20 HB1 GLU 20 65.030 7.072 11.871
135 1HG GLU 20 HG2 GLU 20 63.604 5.591 13.589
136 2HG GLU 20 HG1 GLU 20 65.025 4.559 13.383
137 H SER 21 HN SER 21 61.889 6.253 9.253
138 HA SER 21 HA SER 21 60.744 7.997 8.333
139 1HB SER 21 HB2 SER 21 60.932 8.665 11.115
140 2HB SER 21 HB1 SER 21 61.122 10.138 10.158
141 HG SER 21 HG SER 21 59.182 9.693 9.143
142 H GLY 22 HN GLY 22 63.832 7.715 8.319
143 1HA GLY 22 HA2 GLY 22 64.937 10.264 8.037
144 2HA GLY 22 HA1 GLY 22 65.613 8.793 7.360
145 H ARG 23 HN ARG 23 65.108 8.205 5.308
146 HA ARG 23 HA ARG 23 64.022 10.320 3.590
147 1HB ARG 23 HB2 ARG 23 66.445 9.679 3.382
148 2HB ARG 23 HB1 ARG 23 65.873 8.130 2.801
149 1HG ARG 23 HG2 ARG 23 64.688 10.358 1.380
150 2HG ARG 23 HG1 ARG 23 66.446 10.313 1.256
151 1HD ARG 23 HD2 ARG 23 66.277 7.930 0.545
152 2HD ARG 23 HD1 ARG 23 64.522 8.087 0.559
153 HE ARG 23 HE ARG 23 64.644 9.456 -1.334
154 1HH1 ARG 23 1HH1 ARG 23 67.810 8.411 -0.286
155 2HH1 ARG 23 2HH1 ARG 23 68.576 8.827 -1.778
156 1HH2 ARG 23 1HH2 ARG 23 65.666 10.006 -3.295
157 2HH2 ARG 23 2HH2 ARG 23 67.367 9.740 -3.477
158 H CYS 24 HN CYS 24 64.562 6.899 3.374
159 HA CYS 24 HA CYS 24 63.355 5.145 2.634
160 1HB CYS 24 HB2 CYS 24 61.243 6.954 3.624
161 2HB CYS 24 HB1 CYS 24 60.727 5.643 2.564
162 H ARG 25 HN ARG 25 64.355 5.473 0.630
163 HA ARG 25 HA ARG 25 63.557 7.138 -1.428
164 1HB ARG 25 HB2 ARG 25 65.692 5.953 -1.374
165 2HB ARG 25 HB1 ARG 25 64.864 4.428 -1.542
166 1HG ARG 25 HG2 ARG 25 65.597 4.745 -3.680
167 2HG ARG 25 HG1 ARG 25 63.990 5.469 -3.777
168 1HD ARG 25 HD2 ARG 25 65.320 7.068 -4.802
169 2HD ARG 25 HD1 ARG 25 65.220 7.668 -3.146
170 HE ARG 25 HE ARG 25 67.485 7.478 -3.050
171 1HH1 ARG 25 1HH1 ARG 25 66.362 5.190 -5.438
172 2HH1 ARG 25 2HH1 ARG 25 67.951 4.609 -5.801
173 1HH2 ARG 25 1HH2 ARG 25 69.577 6.691 -3.526
174 2HH2 ARG 25 2HH2 ARG 25 69.767 5.450 -4.720
175 H TYR 26 HN TYR 26 61.873 4.500 -0.197
176 HA TYR 26 HA TYR 26 59.945 4.604 -2.394
177 1HB TYR 26 HB2 TYR 26 61.135 2.103 -1.174
178 2HB TYR 26 HB1 TYR 26 59.636 2.091 -2.090
179 HD1 TYR 26 HD1 TYR 26 60.739 4.206 -4.145
180 HD2 TYR 26 HD2 TYR 26 62.199 0.524 -2.601
181 HE1 TYR 26 HE1 TYR 26 62.034 3.865 -6.208
182 HE2 TYR 26 HE2 TYR 26 63.504 0.178 -4.647
183 HH TYR 26 HH TYR 26 64.039 2.608 -6.929
184 H GLY 27 HN GLY 27 59.616 6.031 -0.191
185 1HA GLY 27 HA2 GLY 27 58.725 5.139 2.169
186 2HA GLY 27 HA1 GLY 27 57.912 6.438 1.320
187 H ALA 28 HN ALA 28 57.491 3.578 2.820
188 HA ALA 28 HA ALA 28 55.625 2.342 3.199
189 1HB ALA 28 HB1 ALA 28 54.080 3.410 0.914
190 2HB ALA 28 HB2 ALA 28 54.516 4.540 2.199
191 3HB ALA 28 HB3 ALA 28 53.584 3.093 2.578
192 H LYS 29 HN LYS 29 57.145 2.487 0.164
193 HA LYS 29 HA LYS 29 56.196 -0.155 -0.525
194 1HB LYS 29 HB2 LYS 29 55.691 1.943 -1.993
195 2HB LYS 29 HB1 LYS 29 57.357 1.723 -2.511
196 1HG LYS 29 HG2 LYS 29 56.920 -0.277 -3.537
197 2HG LYS 29 HG1 LYS 29 55.462 -0.553 -2.574
198 1HD LYS 29 HD2 LYS 29 54.913 0.047 -4.893
199 2HD LYS 29 HD1 LYS 29 54.328 1.252 -3.742
200 1HE LYS 29 HE2 LYS 29 55.306 2.668 -5.230
201 2HE LYS 29 HE1 LYS 29 56.720 2.308 -4.232
202 1HZ LYS 29 HZ1 LYS 29 57.385 0.629 -5.821
203 2HZ LYS 29 HZ2 LYS 29 57.195 2.115 -6.607
204 3HZ LYS 29 HZ3 LYS 29 56.009 0.919 -6.763
205 H CYS 30 HN CYS 30 58.717 1.177 0.897
206 HA CYS 30 HA CYS 30 60.857 0.397 -0.792
207 1HB CYS 30 HB2 CYS 30 62.301 0.792 1.184
208 2HB CYS 30 HB1 CYS 30 61.282 2.153 0.711
209 H GLN 31 HN GLN 31 61.927 -1.326 -0.994
210 HA GLN 31 HA GLN 31 61.771 -3.470 0.974
211 1HB GLN 31 HB2 GLN 31 60.694 -3.558 -1.628
212 2HB GLN 31 HB1 GLN 31 62.110 -4.607 -1.608
213 1HG GLN 31 HG2 GLN 31 61.054 -5.480 0.603
214 2HG GLN 31 HG1 GLN 31 59.574 -4.800 -0.075
215 1HE2 GLN 31 1HE2 GLN 31 59.201 -5.458 -2.425
216 2HE2 GLN 31 2HE2 GLN 31 59.457 -7.135 -2.787
217 H PHE 32 HN PHE 32 63.594 -1.471 -1.049
218 HA PHE 32 HA PHE 32 66.036 -2.678 -0.158
219 1HB PHE 32 HB2 PHE 32 65.323 -2.622 -3.069
220 2HB PHE 32 HB1 PHE 32 66.941 -2.905 -2.458
221 HD1 PHE 32 HD1 PHE 32 63.586 -4.290 -2.862
222 HD2 PHE 32 HD2 PHE 32 67.527 -4.979 -1.424
223 HE1 PHE 32 HE1 PHE 32 63.137 -6.715 -2.798
224 HE2 PHE 32 HE2 PHE 32 67.090 -7.405 -1.359
225 HZ PHE 32 HZ PHE 32 64.888 -8.272 -2.056
226 H ALA 33 HN ALA 33 65.556 -0.765 -3.111
227 HA ALA 33 HA ALA 33 67.586 0.956 -2.914
228 1HB ALA 33 HB1 ALA 33 66.223 2.693 -4.064
229 2HB ALA 33 HB2 ALA 33 64.817 1.666 -3.822
230 3HB ALA 33 HB3 ALA 33 66.157 1.096 -4.813
231 H HIS 34 HN HIS 34 68.305 1.771 -1.097
232 HA HIS 34 HA HIS 34 66.980 4.005 0.126
233 1HB HIS 34 HB2 HIS 34 66.857 1.304 1.329
234 2HB HIS 34 HB1 HIS 34 67.354 2.580 2.420
235 HD1 HIS 34 HD1 HIS 34 64.610 3.113 -0.145
236 HD2 HIS 34 HD2 HIS 34 65.223 2.581 3.894
237 HE1 HIS 34 HE1 HIS 34 62.405 3.623 1.006
238 H GLY 35 HN GLY 35 68.515 3.724 2.633
239 1HA GLY 35 HA2 GLY 35 70.974 4.845 1.879
240 2HA GLY 35 HA1 GLY 35 70.531 4.273 3.488
241 H LEU 36 HN LEU 36 72.181 3.549 0.586
242 HA LEU 36 HA LEU 36 73.647 1.902 0.027
243 1HB LEU 36 HB2 LEU 36 74.412 2.617 2.419
244 2HB LEU 36 HB1 LEU 36 73.735 1.074 2.903
245 HG LEU 36 HG LEU 36 75.499 0.814 0.610
246 1HD1 LEU 36 1HD1 LEU 36 76.931 1.503 3.129
247 2HD1 LEU 36 2HD1 LEU 36 76.411 2.799 2.052
248 3HD1 LEU 36 3HD1 LEU 36 77.496 1.544 1.457
249 1HD2 LEU 36 1HD2 LEU 36 76.109 -1.121 1.662
250 2HD2 LEU 36 2HD2 LEU 36 74.527 -0.868 2.395
251 3HD2 LEU 36 3HD2 LEU 36 75.988 -0.416 3.275
252 H GLY 37 HN GLY 37 73.917 -0.463 0.029
253 1HA GLY 37 HA2 GLY 37 72.423 -2.367 1.174
254 2HA GLY 37 HA1 GLY 37 71.354 -1.697 -0.033
255 H GLU 38 HN GLU 38 73.956 -3.741 0.609
256 HA GLU 38 HA GLU 38 73.998 -4.570 -2.204
257 1HB GLU 38 HB2 GLU 38 76.463 -4.287 -0.492
258 2HB GLU 38 HB1 GLU 38 76.404 -4.739 -2.188
259 1HG GLU 38 HG2 GLU 38 75.099 -2.346 -2.182
260 2HG GLU 38 HG1 GLU 38 76.326 -2.111 -0.938
261 H LEU 39 HN LEU 39 72.472 -5.777 -0.295
262 HA LEU 39 HA LEU 39 73.640 -7.806 1.195
263 1HB LEU 39 HB2 LEU 39 70.945 -8.041 -0.125
264 2HB LEU 39 HB1 LEU 39 71.504 -8.877 1.314
265 HG LEU 39 HG LEU 39 71.568 -5.948 1.493
266 1HD1 LEU 39 1HD1 LEU 39 68.969 -7.465 1.223
267 2HD1 LEU 39 2HD1 LEU 39 69.517 -6.097 0.255
268 3HD1 LEU 39 3HD1 LEU 39 69.095 -5.868 1.950
269 1HD2 LEU 39 1HD2 LEU 39 72.027 -6.980 3.501
270 2HD2 LEU 39 2HD2 LEU 39 70.865 -8.274 3.227
271 3HD2 LEU 39 3HD2 LEU 39 70.298 -6.663 3.662
272 H ARG 40 HN ARG 40 73.260 -7.579 -2.175
273 HA ARG 40 HA ARG 40 74.316 -10.282 -2.525
274 1HB ARG 40 HB2 ARG 40 72.844 -10.839 -4.239
275 2HB ARG 40 HB1 ARG 40 71.813 -10.057 -3.052
276 1HG ARG 40 HG2 ARG 40 71.072 -8.756 -4.669
277 2HG ARG 40 HG1 ARG 40 72.666 -8.006 -4.725
278 1HD ARG 40 HD2 ARG 40 73.357 -9.338 -6.505
279 2HD ARG 40 HD1 ARG 40 72.117 -10.546 -6.205
280 HE ARG 40 HE ARG 40 71.348 -7.868 -7.128
281 1HH1 ARG 40 1HH1 ARG 40 71.504 -11.323 -7.689
282 2HH1 ARG 40 2HH1 ARG 40 70.470 -11.259 -9.076
283 1HH2 ARG 40 1HH2 ARG 40 70.002 -7.803 -8.952
284 2HH2 ARG 40 2HH2 ARG 40 69.623 -9.268 -9.794
285 H GLN 41 HN GLN 41 75.865 -8.014 -2.388
286 HA GLN 41 HA GLN 41 77.124 -8.056 -4.943
287 1HB GLN 41 HB2 GLN 41 75.996 -5.481 -3.847
288 2HB GLN 41 HB1 GLN 41 77.157 -5.567 -5.164
289 1HG GLN 41 HG2 GLN 41 75.408 -7.081 -6.294
290 2HG GLN 41 HG1 GLN 41 74.294 -6.399 -5.112
291 1HE2 GLN 41 1HE2 GLN 41 73.148 -5.515 -6.908
292 2HE2 GLN 41 2HE2 GLN 41 73.690 -4.054 -7.653
293 H ALA 42 HN ALA 42 77.028 -6.381 -1.807
294 HA ALA 42 HA ALA 42 79.453 -7.236 -0.845
295 1HB ALA 42 HB1 ALA 42 79.782 -5.267 -2.920
296 2HB ALA 42 HB2 ALA 42 81.007 -6.205 -2.067
297 3HB ALA 42 HB3 ALA 42 80.435 -4.679 -1.393
298 H ASN 43 HN ASN 43 78.036 -7.135 0.977
299 HA ASN 43 HA ASN 43 77.294 -4.490 1.948
300 1HB ASN 43 HB2 ASN 43 76.052 -6.950 2.087
301 2HB ASN 43 HB1 ASN 43 76.714 -6.759 3.704
302 1HD2 ASN 43 1HD2 ASN 43 74.241 -6.843 3.935
303 2HD2 ASN 43 2HD2 ASN 43 73.454 -5.307 4.011
Start of MODEL 18
1 H MET 4 HT1 MET 4 69.766 -23.191 -2.032
2 HA MET 4 HA MET 4 69.370 -23.914 -4.563
3 1HB MET 4 HB2 MET 4 67.731 -22.935 -2.291
4 2HB MET 4 HB1 MET 4 66.917 -23.059 -3.844
5 1HG MET 4 HG2 MET 4 66.872 -25.292 -3.784
6 2HG MET 4 HG1 MET 4 68.508 -25.408 -3.138
7 1HE MET 4 HE1 MET 4 68.753 -26.763 -1.284
8 2HE MET 4 HE2 MET 4 67.265 -27.634 -1.660
9 3HE MET 4 HE3 MET 4 67.579 -27.096 -0.011
10 H THR 5 HN THR 5 68.374 -23.062 -6.409
11 HA THR 5 HA THR 5 69.133 -20.419 -7.100
12 HB THR 5 HB THR 5 67.125 -22.092 -8.601
13 HG1 THR 5 HG1 THR 5 68.727 -23.517 -8.378
14 1HG2 THR 5 1HG2 THR 5 67.304 -20.318 -9.956
15 2HG2 THR 5 2HG2 THR 5 68.808 -21.097 -10.448
16 3HG2 THR 5 3HG2 THR 5 68.837 -19.798 -9.255
17 H THR 6 HN THR 6 67.712 -18.686 -7.822
18 HA THR 6 HA THR 6 65.143 -18.669 -6.370
19 HB THR 6 HB THR 6 65.725 -16.045 -6.472
20 HG1 THR 6 HG1 THR 6 68.240 -17.315 -6.164
21 1HG2 THR 6 1HG2 THR 6 65.208 -17.375 -4.437
22 2HG2 THR 6 2HG2 THR 6 66.439 -16.133 -4.204
23 3HG2 THR 6 3HG2 THR 6 66.910 -17.827 -4.360
24 H SER 7 HN SER 7 66.512 -18.566 -9.407
25 HA SER 7 HA SER 7 65.585 -18.249 -11.465
26 1HB SER 7 HB2 SER 7 63.424 -18.964 -10.432
27 2HB SER 7 HB1 SER 7 63.100 -17.280 -10.030
28 HG SER 7 HG SER 7 63.737 -17.869 -12.682
29 H SER 8 HN SER 8 64.156 -15.628 -9.508
30 HA SER 8 HA SER 8 65.917 -13.678 -10.706
31 1HB SER 8 HB2 SER 8 62.964 -13.263 -11.144
32 2HB SER 8 HB1 SER 8 64.317 -12.409 -11.885
33 HG SER 8 HG SER 8 63.111 -14.754 -12.619
34 H ARG 9 HN ARG 9 66.518 -13.255 -8.578
35 HA ARG 9 HA ARG 9 64.620 -12.624 -6.545
36 1HB ARG 9 HB2 ARG 9 66.835 -13.534 -6.017
37 2HB ARG 9 HB1 ARG 9 67.596 -12.091 -6.671
38 1HG ARG 9 HG2 ARG 9 67.549 -12.049 -4.243
39 2HG ARG 9 HG1 ARG 9 66.578 -10.741 -4.916
40 1HD ARG 9 HD2 ARG 9 65.228 -11.570 -3.216
41 2HD ARG 9 HD1 ARG 9 64.600 -12.382 -4.648
42 HE ARG 9 HE ARG 9 66.544 -14.036 -3.545
43 1HH1 ARG 9 1HH1 ARG 9 63.418 -12.745 -2.675
44 2HH1 ARG 9 2HH1 ARG 9 62.999 -14.098 -1.679
45 1HH2 ARG 9 1HH2 ARG 9 65.986 -15.820 -2.244
46 2HH2 ARG 9 2HH2 ARG 9 64.453 -15.840 -1.436
47 H TYR 10 HN TYR 10 64.566 -10.560 -5.390
48 HA TYR 10 HA TYR 10 63.994 -8.419 -7.167
49 1HB TYR 10 HB2 TYR 10 63.747 -9.003 -4.279
50 2HB TYR 10 HB1 TYR 10 63.810 -7.314 -4.729
51 HD1 TYR 10 HD1 TYR 10 61.682 -6.354 -4.780
52 HD2 TYR 10 HD2 TYR 10 62.235 -10.337 -6.165
53 HE1 TYR 10 HE1 TYR 10 59.302 -6.465 -5.391
54 HE2 TYR 10 HE2 TYR 10 59.856 -10.460 -6.783
55 HH TYR 10 HH TYR 10 57.819 -7.689 -6.815
56 H LYS 11 HN LYS 11 64.791 -6.204 -5.691
57 HA LYS 11 HA LYS 11 67.227 -5.597 -6.808
58 1HB LYS 11 HB2 LYS 11 66.150 -4.198 -4.383
59 2HB LYS 11 HB1 LYS 11 67.073 -3.521 -5.716
60 1HG LYS 11 HG2 LYS 11 64.856 -4.537 -6.976
61 2HG LYS 11 HG1 LYS 11 64.206 -3.934 -5.441
62 1HD LYS 11 HD2 LYS 11 64.138 -1.944 -6.479
63 2HD LYS 11 HD1 LYS 11 65.879 -1.904 -6.194
64 1HE LYS 11 HE2 LYS 11 66.248 -1.894 -8.384
65 2HE LYS 11 HE1 LYS 11 65.395 -3.430 -8.544
66 1HZ LYS 11 HZ1 LYS 11 63.721 -2.399 -9.537
67 2HZ LYS 11 HZ2 LYS 11 64.610 -0.960 -9.515
68 3HZ LYS 11 HZ3 LYS 11 63.541 -1.313 -8.252
69 H THR 12 HN THR 12 68.654 -4.267 -4.855
70 HA THR 12 HA THR 12 69.736 -6.428 -3.169
71 HB THR 12 HB THR 12 71.151 -6.327 -5.092
72 HG1 THR 12 HG1 THR 12 72.743 -4.735 -3.496
73 1HG2 THR 12 1HG2 THR 12 72.137 -3.621 -4.883
74 2HG2 THR 12 2HG2 THR 12 70.422 -3.664 -5.275
75 3HG2 THR 12 3HG2 THR 12 71.579 -4.519 -6.295
76 H GLU 13 HN GLU 13 68.101 -3.925 -2.581
77 HA GLU 13 HA GLU 13 69.977 -2.691 -0.756
78 1HB GLU 13 HB2 GLU 13 68.218 -1.531 -2.699
79 2HB GLU 13 HB1 GLU 13 67.876 -0.915 -1.093
80 1HG GLU 13 HG2 GLU 13 69.781 0.249 -0.989
81 2HG GLU 13 HG1 GLU 13 70.710 -1.044 -1.740
82 H LEU 14 HN LEU 14 68.639 -1.431 1.063
83 HA LEU 14 HA LEU 14 66.344 -2.893 2.029
84 1HB LEU 14 HB2 LEU 14 67.677 -3.357 4.234
85 2HB LEU 14 HB1 LEU 14 67.747 -4.484 2.893
86 HG LEU 14 HG LEU 14 69.940 -3.974 4.055
87 1HD1 LEU 14 1HD1 LEU 14 71.149 -4.320 2.139
88 2HD1 LEU 14 2HD1 LEU 14 70.165 -3.223 1.184
89 3HD1 LEU 14 3HD1 LEU 14 69.540 -4.812 1.620
90 1HD2 LEU 14 1HD2 LEU 14 69.878 -1.422 2.488
91 2HD2 LEU 14 2HD2 LEU 14 71.030 -1.933 3.716
92 3HD2 LEU 14 3HD2 LEU 14 69.387 -1.505 4.175
93 H CYS 15 HN CYS 15 65.200 -1.801 3.590
94 HA CYS 15 HA CYS 15 65.720 0.944 3.926
95 1HB CYS 15 HB2 CYS 15 63.434 -0.186 3.869
96 2HB CYS 15 HB1 CYS 15 63.755 -0.732 5.513
97 H ARG 16 HN ARG 16 67.863 0.937 4.903
98 HA ARG 16 HA ARG 16 68.325 -0.305 7.411
99 1HB ARG 16 HB2 ARG 16 69.833 1.530 5.567
100 2HB ARG 16 HB1 ARG 16 70.413 1.254 7.206
101 1HG ARG 16 HG2 ARG 16 69.702 -1.200 5.836
102 2HG ARG 16 HG1 ARG 16 70.986 -0.298 5.028
103 1HD ARG 16 HD2 ARG 16 71.358 -0.390 7.893
104 2HD ARG 16 HD1 ARG 16 71.241 -2.004 7.198
105 HE ARG 16 HE ARG 16 73.070 -0.081 5.970
106 1HH1 ARG 16 1HH1 ARG 16 72.618 -2.975 7.886
107 2HH1 ARG 16 2HH1 ARG 16 74.260 -3.491 7.706
108 1HH2 ARG 16 1HH2 ARG 16 75.221 -0.768 5.742
109 2HH2 ARG 16 2HH2 ARG 16 75.736 -2.240 6.494
110 H THR 17 HN THR 17 69.414 2.958 7.138
111 HA THR 17 HA THR 17 68.291 3.674 9.639
112 HB THR 17 HB THR 17 70.478 4.511 8.883
113 HG1 THR 17 HG1 THR 17 70.051 6.758 9.386
114 1HG2 THR 17 1HG2 THR 17 70.581 5.059 6.715
115 2HG2 THR 17 2HG2 THR 17 70.131 6.651 7.329
116 3HG2 THR 17 3HG2 THR 17 68.901 5.586 6.655
117 H TYR 18 HN TYR 18 67.389 3.941 6.379
118 HA TYR 18 HA TYR 18 65.759 6.108 6.139
119 1HB TYR 18 HB2 TYR 18 65.727 3.312 5.054
120 2HB TYR 18 HB1 TYR 18 64.524 4.484 4.554
121 HD1 TYR 18 HD1 TYR 18 65.020 4.976 2.367
122 HD2 TYR 18 HD2 TYR 18 68.175 4.940 5.187
123 HE1 TYR 18 HE1 TYR 18 66.525 5.930 0.685
124 HE2 TYR 18 HE2 TYR 18 69.706 5.842 3.506
125 HH TYR 18 HH TYR 18 69.681 7.057 1.461
126 H SER 19 HN SER 19 64.900 2.866 7.325
127 HA SER 19 HA SER 19 62.211 3.099 7.660
128 1HB SER 19 HB2 SER 19 62.332 1.278 9.179
129 2HB SER 19 HB1 SER 19 63.681 1.070 8.062
130 HG SER 19 HG SER 19 64.846 2.367 9.807
131 H GLU 20 HN GLU 20 64.578 4.820 9.385
132 HA GLU 20 HA GLU 20 62.716 5.475 11.538
133 1HB GLU 20 HB2 GLU 20 65.585 5.232 11.350
134 2HB GLU 20 HB1 GLU 20 65.136 6.815 11.979
135 1HG GLU 20 HG2 GLU 20 64.348 5.977 13.897
136 2HG GLU 20 HG1 GLU 20 63.653 4.561 13.100
137 H SER 21 HN SER 21 62.319 6.367 8.894
138 HA SER 21 HA SER 21 61.543 8.239 7.830
139 1HB SER 21 HB2 SER 21 61.226 8.827 10.508
140 2HB SER 21 HB1 SER 21 62.161 10.198 9.919
141 HG SER 21 HG SER 21 60.567 10.542 8.350
142 H GLY 22 HN GLY 22 64.534 7.508 8.168
143 1HA GLY 22 HA2 GLY 22 65.972 9.904 7.964
144 2HA GLY 22 HA1 GLY 22 66.569 8.317 7.515
145 H ARG 23 HN ARG 23 64.123 8.212 5.658
146 HA ARG 23 HA ARG 23 64.264 10.140 3.685
147 1HB ARG 23 HB2 ARG 23 66.632 9.275 3.616
148 2HB ARG 23 HB1 ARG 23 65.948 7.806 2.967
149 1HG ARG 23 HG2 ARG 23 65.227 10.322 1.623
150 2HG ARG 23 HG1 ARG 23 66.873 9.719 1.408
151 1HD ARG 23 HD2 ARG 23 66.099 8.344 -0.172
152 2HD ARG 23 HD1 ARG 23 65.197 7.488 1.073
153 HE ARG 23 HE ARG 23 63.269 8.656 0.464
154 1HH1 ARG 23 1HH1 ARG 23 66.021 9.668 -1.445
155 2HH1 ARG 23 2HH1 ARG 23 65.052 10.469 -2.634
156 1HH2 ARG 23 1HH2 ARG 23 62.004 9.704 -1.098
157 2HH2 ARG 23 2HH2 ARG 23 62.771 10.493 -2.436
158 H CYS 24 HN CYS 24 64.596 6.696 3.405
159 HA CYS 24 HA CYS 24 63.301 5.050 2.573
160 1HB CYS 24 HB2 CYS 24 61.294 6.936 3.614
161 2HB CYS 24 HB1 CYS 24 60.729 5.701 2.504
162 H ARG 25 HN ARG 25 64.339 5.425 0.575
163 HA ARG 25 HA ARG 25 63.684 7.182 -1.417
164 1HB ARG 25 HB2 ARG 25 65.644 5.785 -1.508
165 2HB ARG 25 HB1 ARG 25 64.661 4.350 -1.604
166 1HG ARG 25 HG2 ARG 25 65.094 4.491 -3.796
167 2HG ARG 25 HG1 ARG 25 63.788 5.686 -3.792
168 1HD ARG 25 HD2 ARG 25 65.305 7.488 -3.733
169 2HD ARG 25 HD1 ARG 25 66.651 6.444 -3.287
170 HE ARG 25 HE ARG 25 65.374 6.452 -5.949
171 1HH1 ARG 25 1HH1 ARG 25 68.211 6.089 -3.925
172 2HH1 ARG 25 2HH1 ARG 25 69.270 5.808 -5.263
173 1HH2 ARG 25 1HH2 ARG 25 66.780 6.079 -7.694
174 2HH2 ARG 25 2HH2 ARG 25 68.463 5.801 -7.397
175 H TYR 26 HN TYR 26 61.787 4.601 -0.313
176 HA TYR 26 HA TYR 26 59.707 5.193 -2.270
177 1HB TYR 26 HB2 TYR 26 60.612 2.375 -1.606
178 2HB TYR 26 HB1 TYR 26 59.158 2.771 -2.509
179 HD1 TYR 26 HD1 TYR 26 60.190 4.891 -4.310
180 HD2 TYR 26 HD2 TYR 26 61.915 1.189 -3.132
181 HE1 TYR 26 HE1 TYR 26 61.445 4.808 -6.422
182 HE2 TYR 26 HE2 TYR 26 63.172 1.096 -5.238
183 HH TYR 26 HH TYR 26 62.595 3.345 -7.827
184 H GLY 27 HN GLY 27 59.932 6.089 0.336
185 1HA GLY 27 HA2 GLY 27 59.043 4.758 2.482
186 2HA GLY 27 HA1 GLY 27 58.444 6.362 2.099
187 H ALA 28 HN ALA 28 57.362 3.713 3.240
188 HA ALA 28 HA ALA 28 55.298 2.790 3.436
189 1HB ALA 28 HB1 ALA 28 53.907 4.171 1.302
190 2HB ALA 28 HB2 ALA 28 54.731 5.279 2.397
191 3HB ALA 28 HB3 ALA 28 53.561 4.122 3.031
192 H LYS 29 HN LYS 29 56.790 3.104 0.372
193 HA LYS 29 HA LYS 29 55.516 0.679 -0.566
194 1HB LYS 29 HB2 LYS 29 55.292 3.080 -1.705
195 2HB LYS 29 HB1 LYS 29 56.804 2.578 -2.436
196 1HG LYS 29 HG2 LYS 29 55.828 1.072 -3.755
197 2HG LYS 29 HG1 LYS 29 54.651 0.603 -2.523
198 1HD LYS 29 HD2 LYS 29 53.759 1.800 -4.610
199 2HD LYS 29 HD1 LYS 29 53.225 2.396 -3.038
200 1HE LYS 29 HE2 LYS 29 53.960 4.418 -3.602
201 2HE LYS 29 HE1 LYS 29 55.602 3.778 -3.635
202 1HZ LYS 29 HZ1 LYS 29 53.963 4.619 -5.796
203 2HZ LYS 29 HZ2 LYS 29 54.461 3.019 -6.025
204 3HZ LYS 29 HZ3 LYS 29 55.611 4.236 -5.789
205 H CYS 30 HN CYS 30 58.213 1.569 0.873
206 HA CYS 30 HA CYS 30 60.170 0.746 -1.029
207 1HB CYS 30 HB2 CYS 30 61.790 0.951 0.804
208 2HB CYS 30 HB1 CYS 30 60.796 2.396 0.562
209 H GLN 31 HN GLN 31 60.707 -1.174 -1.563
210 HA GLN 31 HA GLN 31 60.494 -3.390 0.325
211 1HB GLN 31 HB2 GLN 31 60.836 -4.618 -2.028
212 2HB GLN 31 HB1 GLN 31 59.240 -4.186 -1.422
213 1HG GLN 31 HG2 GLN 31 59.085 -2.352 -2.871
214 2HG GLN 31 HG1 GLN 31 60.816 -2.368 -3.213
215 1HE2 GLN 31 1HE2 GLN 31 61.606 -3.663 -4.778
216 2HE2 GLN 31 2HE2 GLN 31 60.616 -4.635 -5.827
217 H PHE 32 HN PHE 32 62.444 -1.429 -1.653
218 HA PHE 32 HA PHE 32 64.896 -2.403 -0.562
219 1HB PHE 32 HB2 PHE 32 64.411 -2.699 -3.534
220 2HB PHE 32 HB1 PHE 32 65.954 -2.930 -2.726
221 HD1 PHE 32 HD1 PHE 32 62.633 -4.321 -3.296
222 HD2 PHE 32 HD2 PHE 32 66.421 -4.890 -1.467
223 HE1 PHE 32 HE1 PHE 32 62.133 -6.717 -2.996
224 HE2 PHE 32 HE2 PHE 32 65.933 -7.277 -1.157
225 HZ PHE 32 HZ PHE 32 63.790 -8.200 -1.935
226 H ALA 33 HN ALA 33 66.425 -1.221 -2.844
227 HA ALA 33 HA ALA 33 67.413 0.822 -3.179
228 1HB ALA 33 HB1 ALA 33 66.116 1.152 -5.002
229 2HB ALA 33 HB2 ALA 33 65.478 2.474 -4.021
230 3HB ALA 33 HB3 ALA 33 64.616 0.940 -4.101
231 H HIS 34 HN HIS 34 68.145 1.523 -1.214
232 HA HIS 34 HA HIS 34 66.829 3.786 -0.024
233 1HB HIS 34 HB2 HIS 34 66.476 1.080 1.051
234 2HB HIS 34 HB1 HIS 34 67.059 2.213 2.236
235 HD1 HIS 34 HD1 HIS 34 64.357 3.023 -0.338
236 HD2 HIS 34 HD2 HIS 34 64.974 2.443 3.695
237 HE1 HIS 34 HE1 HIS 34 62.177 3.610 0.837
238 H GLY 35 HN GLY 35 68.325 3.059 2.615
239 1HA GLY 35 HA2 GLY 35 70.726 4.371 2.111
240 2HA GLY 35 HA1 GLY 35 70.288 3.502 3.593
241 H LEU 36 HN LEU 36 72.458 3.644 1.171
242 HA LEU 36 HA LEU 36 74.011 2.242 0.283
243 1HB LEU 36 HB2 LEU 36 74.617 2.488 2.680
244 2HB LEU 36 HB1 LEU 36 73.774 0.993 3.019
245 HG LEU 36 HG LEU 36 75.809 0.833 0.907
246 1HD1 LEU 36 1HD1 LEU 36 76.743 0.995 3.755
247 2HD1 LEU 36 2HD1 LEU 36 76.742 2.402 2.694
248 3HD1 LEU 36 3HD1 LEU 36 77.704 0.985 2.275
249 1HD2 LEU 36 1HD2 LEU 36 74.770 -0.819 3.160
250 2HD2 LEU 36 2HD2 LEU 36 76.368 -1.176 2.504
251 3HD2 LEU 36 3HD2 LEU 36 74.954 -1.225 1.454
252 H GLY 37 HN GLY 37 72.853 -0.380 2.343
253 1HA GLY 37 HA2 GLY 37 72.115 -2.479 1.808
254 2HA GLY 37 HA1 GLY 37 71.072 -1.645 0.685
255 H GLU 38 HN GLU 38 74.260 -2.972 1.073
256 HA GLU 38 HA GLU 38 74.271 -3.675 -1.788
257 1HB GLU 38 HB2 GLU 38 76.755 -2.878 -0.258
258 2HB GLU 38 HB1 GLU 38 76.599 -3.151 -1.988
259 1HG GLU 38 HG2 GLU 38 74.775 -1.155 -1.529
260 2HG GLU 38 HG1 GLU 38 76.083 -0.758 -0.414
261 H LEU 39 HN LEU 39 73.314 -5.315 0.205
262 HA LEU 39 HA LEU 39 75.353 -7.077 1.189
263 1HB LEU 39 HB2 LEU 39 72.392 -7.581 0.991
264 2HB LEU 39 HB1 LEU 39 73.538 -8.453 1.995
265 HG LEU 39 HG LEU 39 73.397 -5.539 2.398
266 1HD1 LEU 39 1HD1 LEU 39 71.009 -6.320 2.103
267 2HD1 LEU 39 2HD1 LEU 39 71.385 -5.560 3.650
268 3HD1 LEU 39 3HD1 LEU 39 71.250 -7.315 3.538
269 1HD2 LEU 39 1HD2 LEU 39 74.752 -7.404 3.651
270 2HD2 LEU 39 2HD2 LEU 39 73.242 -7.611 4.535
271 3HD2 LEU 39 3HD2 LEU 39 74.057 -6.047 4.539
272 H ARG 40 HN ARG 40 73.817 -6.747 -1.781
273 HA ARG 40 HA ARG 40 74.779 -9.387 -2.616
274 1HB ARG 40 HB2 ARG 40 72.683 -8.810 -4.355
275 2HB ARG 40 HB1 ARG 40 72.692 -10.025 -3.090
276 1HG ARG 40 HG2 ARG 40 72.018 -7.305 -2.201
277 2HG ARG 40 HG1 ARG 40 70.865 -8.053 -3.306
278 1HD ARG 40 HD2 ARG 40 71.902 -9.524 -0.905
279 2HD ARG 40 HD1 ARG 40 70.545 -8.406 -0.777
280 HE ARG 40 HE ARG 40 70.278 -10.409 -2.841
281 1HH1 ARG 40 1HH1 ARG 40 69.647 -9.591 0.498
282 2HH1 ARG 40 2HH1 ARG 40 68.355 -10.733 0.659
283 1HH2 ARG 40 1HH2 ARG 40 68.586 -11.909 -2.621
284 2HH2 ARG 40 2HH2 ARG 40 67.752 -12.048 -1.109
285 H GLN 41 HN GLN 41 75.870 -6.615 -2.765
286 HA GLN 41 HA GLN 41 76.567 -6.696 -5.551
287 1HB GLN 41 HB2 GLN 41 75.416 -4.275 -4.181
288 2HB GLN 41 HB1 GLN 41 76.301 -4.193 -5.699
289 1HG GLN 41 HG2 GLN 41 74.160 -6.160 -5.724
290 2HG GLN 41 HG1 GLN 41 73.609 -4.517 -5.423
291 1HE2 GLN 41 1HE2 GLN 41 74.208 -6.710 -7.774
292 2HE2 GLN 41 2HE2 GLN 41 74.454 -5.649 -9.114
293 H ALA 42 HN ALA 42 77.057 -5.101 -2.434
294 HA ALA 42 HA ALA 42 78.932 -4.430 -1.340
295 1HB ALA 42 HB1 ALA 42 81.134 -5.515 -2.241
296 2HB ALA 42 HB2 ALA 42 80.024 -6.516 -3.176
297 3HB ALA 42 HB3 ALA 42 79.931 -6.502 -1.414
298 H ASN 43 HN ASN 43 80.993 -3.171 -1.629
299 HA ASN 43 HA ASN 43 80.570 -1.071 -3.476
300 1HB ASN 43 HB2 ASN 43 82.201 -1.531 -1.211
301 2HB ASN 43 HB1 ASN 43 83.285 -1.090 -2.529
302 1HD2 ASN 43 1HD2 ASN 43 83.774 0.968 -2.342
303 2HD2 ASN 43 2HD2 ASN 43 82.668 2.253 -2.011
Start of MODEL 19
1 H MET 4 HT1 MET 4 76.044 -11.472 -15.001
2 HA MET 4 HA MET 4 76.610 -11.076 -12.149
3 1HB MET 4 HB2 MET 4 76.499 -9.178 -14.407
4 2HB MET 4 HB1 MET 4 75.522 -8.736 -13.013
5 1HG MET 4 HG2 MET 4 77.714 -9.270 -11.690
6 2HG MET 4 HG1 MET 4 78.475 -8.990 -13.255
7 1HE MET 4 HE1 MET 4 78.277 -6.803 -14.615
8 2HE MET 4 HE2 MET 4 79.619 -6.715 -13.473
9 3HE MET 4 HE3 MET 4 78.562 -5.321 -13.704
10 H THR 5 HN THR 5 74.703 -12.679 -14.032
11 HA THR 5 HA THR 5 72.125 -11.541 -13.631
12 HB THR 5 HB THR 5 72.533 -14.477 -14.048
13 HG1 THR 5 HG1 THR 5 72.878 -12.533 -16.080
14 1HG2 THR 5 1HG2 THR 5 70.798 -13.756 -15.923
15 2HG2 THR 5 2HG2 THR 5 70.493 -12.465 -14.761
16 3HG2 THR 5 3HG2 THR 5 70.312 -14.150 -14.275
17 H THR 6 HN THR 6 70.397 -12.544 -12.346
18 HA THR 6 HA THR 6 71.347 -13.958 -9.957
19 HB THR 6 HB THR 6 70.227 -12.484 -8.459
20 HG1 THR 6 HG1 THR 6 69.178 -11.253 -10.784
21 1HG2 THR 6 1HG2 THR 6 71.410 -10.534 -10.395
22 2HG2 THR 6 2HG2 THR 6 72.417 -11.655 -9.478
23 3HG2 THR 6 3HG2 THR 6 71.400 -10.489 -8.633
24 H SER 7 HN SER 7 69.739 -14.608 -12.413
25 HA SER 7 HA SER 7 68.038 -16.023 -12.916
26 1HB SER 7 HB2 SER 7 67.629 -16.140 -9.916
27 2HB SER 7 HB1 SER 7 66.791 -17.157 -11.084
28 HG SER 7 HG SER 7 68.973 -17.809 -11.767
29 H SER 8 HN SER 8 66.440 -14.631 -10.071
30 HA SER 8 HA SER 8 65.033 -12.663 -11.603
31 1HB SER 8 HB2 SER 8 62.882 -13.587 -11.656
32 2HB SER 8 HB1 SER 8 63.914 -14.946 -12.102
33 HG SER 8 HG SER 8 63.749 -15.712 -9.994
34 H ARG 9 HN ARG 9 66.645 -12.712 -9.233
35 HA ARG 9 HA ARG 9 64.842 -12.387 -6.983
36 1HB ARG 9 HB2 ARG 9 66.989 -13.362 -6.507
37 2HB ARG 9 HB1 ARG 9 67.832 -12.030 -7.282
38 1HG ARG 9 HG2 ARG 9 68.028 -11.810 -4.905
39 2HG ARG 9 HG1 ARG 9 66.995 -10.519 -5.515
40 1HD ARG 9 HD2 ARG 9 65.622 -11.145 -3.844
41 2HD ARG 9 HD1 ARG 9 65.155 -12.431 -4.959
42 HE ARG 9 HE ARG 9 66.245 -13.954 -3.627
43 1HH1 ARG 9 1HH1 ARG 9 67.112 -10.721 -2.635
44 2HH1 ARG 9 2HH1 ARG 9 67.898 -11.244 -1.183
45 1HH2 ARG 9 1HH2 ARG 9 67.277 -14.642 -1.718
46 2HH2 ARG 9 2HH2 ARG 9 67.996 -13.472 -0.664
47 H TYR 10 HN TYR 10 64.778 -10.421 -5.719
48 HA TYR 10 HA TYR 10 64.247 -8.151 -7.331
49 1HB TYR 10 HB2 TYR 10 64.010 -8.937 -4.495
50 2HB TYR 10 HB1 TYR 10 64.101 -7.219 -4.815
51 HD1 TYR 10 HD1 TYR 10 61.993 -6.225 -4.777
52 HD2 TYR 10 HD2 TYR 10 62.458 -10.102 -6.465
53 HE1 TYR 10 HE1 TYR 10 59.608 -6.247 -5.363
54 HE2 TYR 10 HE2 TYR 10 60.069 -10.134 -7.062
55 HH TYR 10 HH TYR 10 58.209 -7.639 -7.342
56 H LYS 11 HN LYS 11 65.084 -6.057 -5.733
57 HA LYS 11 HA LYS 11 67.569 -5.473 -6.802
58 1HB LYS 11 HB2 LYS 11 66.703 -3.981 -4.388
59 2HB LYS 11 HB1 LYS 11 67.292 -3.381 -5.932
60 1HG LYS 11 HG2 LYS 11 64.991 -4.367 -6.789
61 2HG LYS 11 HG1 LYS 11 64.539 -4.103 -5.095
62 1HD LYS 11 HD2 LYS 11 64.982 -1.783 -5.248
63 2HD LYS 11 HD1 LYS 11 65.826 -1.968 -6.786
64 1HE LYS 11 HE2 LYS 11 63.836 -1.240 -7.596
65 2HE LYS 11 HE1 LYS 11 63.455 -2.959 -7.498
66 1HZ LYS 11 HZ1 LYS 11 62.834 -2.045 -5.023
67 2HZ LYS 11 HZ2 LYS 11 61.728 -2.302 -6.276
68 3HZ LYS 11 HZ3 LYS 11 62.363 -0.756 -6.013
69 H THR 12 HN THR 12 68.988 -4.216 -4.818
70 HA THR 12 HA THR 12 69.852 -6.386 -3.030
71 HB THR 12 HB THR 12 71.350 -6.425 -4.925
72 HG1 THR 12 HG1 THR 12 72.605 -5.119 -2.743
73 1HG2 THR 12 1HG2 THR 12 72.171 -4.666 -6.005
74 2HG2 THR 12 2HG2 THR 12 72.603 -3.838 -4.509
75 3HG2 THR 12 3HG2 THR 12 70.959 -3.724 -5.138
76 H GLU 13 HN GLU 13 68.289 -4.060 -2.377
77 HA GLU 13 HA GLU 13 70.152 -2.711 -0.635
78 1HB GLU 13 HB2 GLU 13 68.360 -1.626 -2.622
79 2HB GLU 13 HB1 GLU 13 68.101 -0.926 -1.039
80 1HG GLU 13 HG2 GLU 13 70.006 0.231 -1.106
81 2HG GLU 13 HG1 GLU 13 70.901 -1.136 -1.769
82 H LEU 14 HN LEU 14 68.580 -1.294 1.000
83 HA LEU 14 HA LEU 14 66.267 -2.645 1.906
84 1HB LEU 14 HB2 LEU 14 67.324 -3.245 4.168
85 2HB LEU 14 HB1 LEU 14 67.509 -4.341 2.816
86 HG LEU 14 HG LEU 14 69.513 -3.735 4.430
87 1HD1 LEU 14 1HD1 LEU 14 69.334 -4.601 1.670
88 2HD1 LEU 14 2HD1 LEU 14 70.257 -5.258 3.016
89 3HD1 LEU 14 3HD1 LEU 14 70.899 -3.910 2.085
90 1HD2 LEU 14 1HD2 LEU 14 69.416 -1.320 3.992
91 2HD2 LEU 14 2HD2 LEU 14 69.809 -1.626 2.302
92 3HD2 LEU 14 3HD2 LEU 14 70.967 -2.028 3.559
93 H CYS 15 HN CYS 15 65.202 -1.609 3.569
94 HA CYS 15 HA CYS 15 65.718 1.143 3.837
95 1HB CYS 15 HB2 CYS 15 63.444 -0.014 3.849
96 2HB CYS 15 HB1 CYS 15 63.805 -0.546 5.485
97 H ARG 16 HN ARG 16 67.944 1.019 4.725
98 HA ARG 16 HA ARG 16 68.459 -0.179 7.223
99 1HB ARG 16 HB2 ARG 16 69.953 1.425 5.256
100 2HB ARG 16 HB1 ARG 16 70.422 1.715 6.927
101 1HG ARG 16 HG2 ARG 16 70.975 -0.550 7.297
102 2HG ARG 16 HG1 ARG 16 70.240 -1.045 5.772
103 1HD ARG 16 HD2 ARG 16 71.995 0.624 4.756
104 2HD ARG 16 HD1 ARG 16 72.834 0.337 6.281
105 HE ARG 16 HE ARG 16 72.680 -1.435 4.077
106 1HH1 ARG 16 1HH1 ARG 16 72.766 -1.371 7.563
107 2HH1 ARG 16 2HH1 ARG 16 73.388 -2.982 7.698
108 1HH2 ARG 16 1HH2 ARG 16 73.492 -3.548 4.252
109 2HH2 ARG 16 2HH2 ARG 16 73.802 -4.216 5.820
110 H THR 17 HN THR 17 69.357 3.174 6.943
111 HA THR 17 HA THR 17 68.304 3.754 9.527
112 HB THR 17 HB THR 17 70.459 4.677 8.724
113 HG1 THR 17 HG1 THR 17 68.576 6.732 9.227
114 1HG2 THR 17 1HG2 THR 17 70.643 6.349 7.112
115 2HG2 THR 17 2HG2 THR 17 68.899 6.603 7.047
116 3HG2 THR 17 3HG2 THR 17 69.603 5.132 6.375
117 H TYR 18 HN TYR 18 67.317 4.059 6.319
118 HA TYR 18 HA TYR 18 65.686 6.217 6.137
119 1HB TYR 18 HB2 TYR 18 65.676 3.451 5.003
120 2HB TYR 18 HB1 TYR 18 64.435 4.602 4.544
121 HD1 TYR 18 HD1 TYR 18 64.887 5.236 2.373
122 HD2 TYR 18 HD2 TYR 18 68.095 5.050 5.101
123 HE1 TYR 18 HE1 TYR 18 66.352 6.290 0.707
124 HE2 TYR 18 HE2 TYR 18 69.593 6.072 3.461
125 HH TYR 18 HH TYR 18 68.780 6.385 0.206
126 H SER 19 HN SER 19 64.868 2.999 7.422
127 HA SER 19 HA SER 19 62.161 3.331 7.744
128 1HB SER 19 HB2 SER 19 62.294 1.529 9.448
129 2HB SER 19 HB1 SER 19 63.192 1.149 7.979
130 HG SER 19 HG SER 19 64.581 0.692 9.591
131 H GLU 20 HN GLU 20 64.727 4.284 9.868
132 HA GLU 20 HA GLU 20 63.244 4.910 12.144
133 1HB GLU 20 HB2 GLU 20 65.910 5.340 11.209
134 2HB GLU 20 HB1 GLU 20 65.305 6.859 11.855
135 1HG GLU 20 HG2 GLU 20 65.357 6.130 13.966
136 2HG GLU 20 HG1 GLU 20 64.747 4.527 13.534
137 H SER 21 HN SER 21 64.109 6.891 9.369
138 HA SER 21 HA SER 21 61.893 8.259 8.825
139 1HB SER 21 HB2 SER 21 62.673 9.061 11.478
140 2HB SER 21 HB1 SER 21 62.811 10.440 10.395
141 HG SER 21 HG SER 21 60.674 10.174 9.812
142 H GLY 22 HN GLY 22 64.576 7.575 7.860
143 1HA GLY 22 HA2 GLY 22 66.031 9.945 7.400
144 2HA GLY 22 HA1 GLY 22 66.282 8.414 6.583
145 H ARG 23 HN ARG 23 65.366 8.059 4.651
146 HA ARG 23 HA ARG 23 63.996 10.335 3.387
147 1HB ARG 23 HB2 ARG 23 66.337 9.847 2.607
148 2HB ARG 23 HB1 ARG 23 65.747 8.310 2.021
149 1HG ARG 23 HG2 ARG 23 64.096 10.430 1.025
150 2HG ARG 23 HG1 ARG 23 65.792 10.744 0.654
151 1HD ARG 23 HD2 ARG 23 66.010 8.798 -0.603
152 2HD ARG 23 HD1 ARG 23 64.623 8.027 0.158
153 HE ARG 23 HE ARG 23 63.200 9.214 -1.260
154 1HH1 ARG 23 1HH1 ARG 23 66.539 10.101 -1.807
155 2HH1 ARG 23 2HH1 ARG 23 66.212 10.859 -3.328
156 1HH2 ARG 23 1HH2 ARG 23 62.779 10.224 -3.253
157 2HH2 ARG 23 2HH2 ARG 23 64.084 10.933 -4.146
158 H CYS 24 HN CYS 24 64.539 6.931 3.123
159 HA CYS 24 HA CYS 24 63.237 5.172 2.473
160 1HB CYS 24 HB2 CYS 24 61.237 7.055 3.541
161 2HB CYS 24 HB1 CYS 24 60.620 5.801 2.479
162 H ARG 25 HN ARG 25 64.247 5.622 0.418
163 HA ARG 25 HA ARG 25 63.408 7.251 -1.580
164 1HB ARG 25 HB2 ARG 25 65.440 6.000 -1.760
165 2HB ARG 25 HB1 ARG 25 64.570 4.489 -1.747
166 1HG ARG 25 HG2 ARG 25 65.098 4.714 -3.973
167 2HG ARG 25 HG1 ARG 25 63.465 5.390 -3.922
168 1HD ARG 25 HD2 ARG 25 64.188 7.515 -4.287
169 2HD ARG 25 HD1 ARG 25 65.718 7.253 -3.449
170 HE ARG 25 HE ARG 25 65.530 5.808 -5.915
171 1HH1 ARG 25 1HH1 ARG 25 66.306 8.897 -4.489
172 2HH1 ARG 25 2HH1 ARG 25 67.333 9.383 -5.796
173 1HH2 ARG 25 1HH2 ARG 25 66.882 6.446 -7.635
174 2HH2 ARG 25 2HH2 ARG 25 67.657 7.994 -7.584
175 H TYR 26 HN TYR 26 61.729 4.536 -0.422
176 HA TYR 26 HA TYR 26 59.560 4.983 -2.330
177 1HB TYR 26 HB2 TYR 26 60.609 2.247 -1.560
178 2HB TYR 26 HB1 TYR 26 59.167 2.550 -2.511
179 HD1 TYR 26 HD1 TYR 26 59.982 4.541 -4.417
180 HD2 TYR 26 HD2 TYR 26 62.166 1.212 -2.940
181 HE1 TYR 26 HE1 TYR 26 61.285 4.481 -6.503
182 HE2 TYR 26 HE2 TYR 26 63.485 1.146 -5.013
183 HH TYR 26 HH TYR 26 63.866 2.087 -6.995
184 H GLY 27 HN GLY 27 59.787 5.975 0.245
185 1HA GLY 27 HA2 GLY 27 58.979 4.675 2.442
186 2HA GLY 27 HA1 GLY 27 58.320 6.245 2.018
187 H ALA 28 HN ALA 28 57.455 3.398 3.090
188 HA ALA 28 HA ALA 28 55.363 2.552 3.443
189 1HB ALA 28 HB1 ALA 28 54.493 4.807 2.642
190 2HB ALA 28 HB2 ALA 28 53.415 3.420 2.487
191 3HB ALA 28 HB3 ALA 28 54.280 4.026 1.075
192 H LYS 29 HN LYS 29 56.618 2.740 0.214
193 HA LYS 29 HA LYS 29 55.616 0.084 -0.338
194 1HB LYS 29 HB2 LYS 29 54.905 2.051 -1.783
195 2HB LYS 29 HB1 LYS 29 56.570 2.092 -2.344
196 1HG LYS 29 HG2 LYS 29 56.394 0.090 -3.452
197 2HG LYS 29 HG1 LYS 29 55.029 -0.434 -2.464
198 1HD LYS 29 HD2 LYS 29 54.377 0.165 -4.780
199 2HD LYS 29 HD1 LYS 29 53.571 1.145 -3.553
200 1HE LYS 29 HE2 LYS 29 55.802 2.623 -4.037
201 2HE LYS 29 HE1 LYS 29 55.501 1.922 -5.627
202 1HZ LYS 29 HZ1 LYS 29 53.048 2.716 -4.953
203 2HZ LYS 29 HZ2 LYS 29 54.135 3.678 -5.822
204 3HZ LYS 29 HZ3 LYS 29 53.966 3.890 -4.153
205 H CYS 30 HN CYS 30 58.248 1.422 0.843
206 HA CYS 30 HA CYS 30 60.248 0.634 -0.981
207 1HB CYS 30 HB2 CYS 30 61.834 0.988 0.895
208 2HB CYS 30 HB1 CYS 30 60.787 2.368 0.528
209 H GLN 31 HN GLN 31 60.850 -1.269 -1.478
210 HA GLN 31 HA GLN 31 60.799 -3.442 0.471
211 1HB GLN 31 HB2 GLN 31 61.206 -4.657 -1.916
212 2HB GLN 31 HB1 GLN 31 59.611 -4.398 -1.219
213 1HG GLN 31 HG2 GLN 31 59.203 -2.542 -2.607
214 2HG GLN 31 HG1 GLN 31 60.898 -2.426 -3.083
215 1HE2 GLN 31 1HE2 GLN 31 61.634 -3.598 -4.756
216 2HE2 GLN 31 2HE2 GLN 31 60.646 -4.643 -5.728
217 H PHE 32 HN PHE 32 62.623 -1.384 -1.506
218 HA PHE 32 HA PHE 32 65.126 -2.289 -0.465
219 1HB PHE 32 HB2 PHE 32 64.598 -2.511 -3.434
220 2HB PHE 32 HB1 PHE 32 66.157 -2.737 -2.657
221 HD1 PHE 32 HD1 PHE 32 62.850 -4.197 -3.242
222 HD2 PHE 32 HD2 PHE 32 66.678 -4.743 -1.471
223 HE1 PHE 32 HE1 PHE 32 62.417 -6.614 -3.032
224 HE2 PHE 32 HE2 PHE 32 66.250 -7.149 -1.255
225 HZ PHE 32 HZ PHE 32 64.121 -8.094 -2.050
226 H ALA 33 HN ALA 33 66.676 -1.039 -2.536
227 HA ALA 33 HA ALA 33 67.639 1.004 -2.834
228 1HB ALA 33 HB1 ALA 33 64.868 1.757 -3.714
229 2HB ALA 33 HB2 ALA 33 65.947 0.726 -4.653
230 3HB ALA 33 HB3 ALA 33 66.403 2.393 -4.304
231 H HIS 34 HN HIS 34 68.265 2.001 -1.041
232 HA HIS 34 HA HIS 34 66.777 4.241 -0.066
233 1HB HIS 34 HB2 HIS 34 66.884 1.720 1.545
234 2HB HIS 34 HB1 HIS 34 67.095 3.255 2.383
235 HD1 HIS 34 HD1 HIS 34 64.491 3.482 -0.272
236 HD2 HIS 34 HD2 HIS 34 64.889 2.554 3.717
237 HE1 HIS 34 HE1 HIS 34 62.169 3.693 0.785
238 H GLY 35 HN GLY 35 68.669 2.909 2.442
239 1HA GLY 35 HA2 GLY 35 70.691 4.871 2.247
240 2HA GLY 35 HA1 GLY 35 70.632 3.506 3.385
241 H LEU 36 HN LEU 36 72.300 2.223 3.234
242 HA LEU 36 HA LEU 36 74.092 2.222 1.025
243 1HB LEU 36 HB2 LEU 36 74.960 1.812 3.206
244 2HB LEU 36 HB1 LEU 36 73.817 0.516 3.496
245 HG LEU 36 HG LEU 36 75.180 -0.388 1.296
246 1HD1 LEU 36 1HD1 LEU 36 77.352 0.555 3.098
247 2HD1 LEU 36 2HD1 LEU 36 76.728 1.646 1.859
248 3HD1 LEU 36 3HD1 LEU 36 77.416 0.089 1.398
249 1HD2 LEU 36 1HD2 LEU 36 75.817 -0.897 4.199
250 2HD2 LEU 36 2HD2 LEU 36 76.227 -1.950 2.846
251 3HD2 LEU 36 3HD2 LEU 36 74.537 -1.681 3.274
252 H GLY 37 HN GLY 37 72.456 -0.606 2.434
253 1HA GLY 37 HA2 GLY 37 71.511 -2.444 1.500
254 2HA GLY 37 HA1 GLY 37 70.994 -1.379 0.223
255 H GLU 38 HN GLU 38 73.326 -3.649 1.275
256 HA GLU 38 HA GLU 38 74.246 -3.988 -1.504
257 1HB GLU 38 HB2 GLU 38 76.084 -4.171 0.887
258 2HB GLU 38 HB1 GLU 38 76.527 -4.284 -0.811
259 1HG GLU 38 HG2 GLU 38 75.305 -1.839 -0.670
260 2HG GLU 38 HG1 GLU 38 76.146 -1.951 0.874
261 H LEU 39 HN LEU 39 72.230 -5.495 -0.425
262 HA LEU 39 HA LEU 39 72.961 -7.784 0.969
263 1HB LEU 39 HB2 LEU 39 70.869 -7.612 -1.182
264 2HB LEU 39 HB1 LEU 39 70.957 -8.823 0.086
265 HG LEU 39 HG LEU 39 70.864 -6.000 0.936
266 1HD1 LEU 39 1HD1 LEU 39 68.326 -6.138 0.815
267 2HD1 LEU 39 2HD1 LEU 39 68.563 -7.435 -0.355
268 3HD1 LEU 39 3HD1 LEU 39 69.180 -5.818 -0.695
269 1HD2 LEU 39 1HD2 LEU 39 69.341 -7.042 2.649
270 2HD2 LEU 39 2HD2 LEU 39 70.999 -7.643 2.641
271 3HD2 LEU 39 3HD2 LEU 39 69.710 -8.600 1.911
272 H ARG 40 HN ARG 40 73.711 -6.947 -2.237
273 HA ARG 40 HA ARG 40 75.039 -9.512 -2.621
274 1HB ARG 40 HB2 ARG 40 74.204 -9.837 -4.829
275 2HB ARG 40 HB1 ARG 40 72.827 -9.610 -3.760
276 1HG ARG 40 HG2 ARG 40 72.105 -8.066 -5.155
277 2HG ARG 40 HG1 ARG 40 73.463 -7.062 -4.645
278 1HD ARG 40 HD2 ARG 40 74.828 -8.249 -6.399
279 2HD ARG 40 HD1 ARG 40 73.316 -8.917 -7.000
280 HE ARG 40 HE ARG 40 73.947 -6.036 -6.915
281 1HH1 ARG 40 1HH1 ARG 40 72.316 -8.760 -8.388
282 2HH1 ARG 40 2HH1 ARG 40 71.619 -7.809 -9.654
283 1HH2 ARG 40 1HH2 ARG 40 73.019 -4.795 -8.578
284 2HH2 ARG 40 2HH2 ARG 40 72.019 -5.564 -9.764
285 H GLN 41 HN GLN 41 75.839 -6.713 -2.036
286 HA GLN 41 HA GLN 41 77.899 -6.544 -4.032
287 1HB GLN 41 HB2 GLN 41 76.080 -4.260 -3.302
288 2HB GLN 41 HB1 GLN 41 77.604 -4.054 -4.151
289 1HG GLN 41 HG2 GLN 41 75.873 -6.038 -5.388
290 2HG GLN 41 HG1 GLN 41 75.145 -4.434 -5.303
291 1HE2 GLN 41 1HE2 GLN 41 75.318 -4.692 -7.678
292 2HE2 GLN 41 2HE2 GLN 41 76.781 -4.184 -8.442
293 H ALA 42 HN ALA 42 77.351 -6.991 -0.971
294 HA ALA 42 HA ALA 42 79.062 -5.002 0.181
295 1HB ALA 42 HB1 ALA 42 78.510 -5.940 2.300
296 2HB ALA 42 HB2 ALA 42 77.865 -7.396 1.543
297 3HB ALA 42 HB3 ALA 42 77.030 -5.856 1.346
298 H ASN 43 HN ASN 43 80.332 -6.632 -1.772
299 HA ASN 43 HA ASN 43 82.655 -7.386 -0.350
300 1HB ASN 43 HB2 ASN 43 80.784 -9.358 -0.216
301 2HB ASN 43 HB1 ASN 43 81.638 -9.814 -1.688
302 1HD2 ASN 43 1HD2 ASN 43 82.262 -11.701 -0.469
303 2HD2 ASN 43 2HD2 ASN 43 83.619 -11.615 0.598
Start of MODEL 20
1 H MET 4 HT1 MET 4 67.845 -8.383 -16.736
2 HA MET 4 HA MET 4 69.504 -10.105 -17.693
3 1HB MET 4 HB2 MET 4 70.827 -7.416 -17.959
4 2HB MET 4 HB1 MET 4 71.780 -8.863 -17.663
5 1HG MET 4 HG2 MET 4 71.112 -9.832 -19.710
6 2HG MET 4 HG1 MET 4 69.863 -8.614 -19.958
7 1HE MET 4 HE1 MET 4 71.408 -7.847 -22.782
8 2HE MET 4 HE2 MET 4 71.118 -6.257 -22.073
9 3HE MET 4 HE3 MET 4 70.013 -7.589 -21.736
10 H THR 5 HN THR 5 71.680 -10.211 -16.230
11 HA THR 5 HA THR 5 72.593 -10.317 -14.146
12 HB THR 5 HB THR 5 70.518 -8.385 -13.143
13 HG1 THR 5 HG1 THR 5 72.700 -7.081 -13.881
14 1HG2 THR 5 1HG2 THR 5 73.430 -8.594 -12.440
15 2HG2 THR 5 2HG2 THR 5 72.150 -9.425 -11.556
16 3HG2 THR 5 3HG2 THR 5 72.177 -7.662 -11.620
17 H THR 6 HN THR 6 69.095 -9.823 -13.601
18 HA THR 6 HA THR 6 69.018 -12.492 -12.365
19 HB THR 6 HB THR 6 67.469 -11.629 -10.649
20 HG1 THR 6 HG1 THR 6 66.563 -9.823 -11.293
21 1HG2 THR 6 1HG2 THR 6 69.684 -9.734 -10.317
22 2HG2 THR 6 2HG2 THR 6 70.144 -11.421 -10.549
23 3HG2 THR 6 3HG2 THR 6 69.066 -10.974 -9.225
24 H SER 7 HN SER 7 66.970 -9.821 -13.531
25 HA SER 7 HA SER 7 65.048 -9.789 -14.741
26 1HB SER 7 HB2 SER 7 66.658 -11.210 -16.219
27 2HB SER 7 HB1 SER 7 65.627 -12.558 -15.738
28 HG SER 7 HG SER 7 63.926 -11.633 -16.747
29 H SER 8 HN SER 8 65.114 -11.125 -12.025
30 HA SER 8 HA SER 8 62.421 -12.152 -12.151
31 1HB SER 8 HB2 SER 8 64.659 -13.941 -12.065
32 2HB SER 8 HB1 SER 8 63.765 -14.062 -10.550
33 HG SER 8 HG SER 8 63.082 -14.918 -13.036
34 H ARG 9 HN ARG 9 65.154 -12.273 -9.852
35 HA ARG 9 HA ARG 9 63.483 -11.610 -7.639
36 1HB ARG 9 HB2 ARG 9 65.519 -12.969 -7.380
37 2HB ARG 9 HB1 ARG 9 66.502 -11.596 -7.861
38 1HG ARG 9 HG2 ARG 9 66.527 -11.927 -5.444
39 2HG ARG 9 HG1 ARG 9 65.809 -10.373 -5.876
40 1HD ARG 9 HD2 ARG 9 64.051 -10.932 -4.631
41 2HD ARG 9 HD1 ARG 9 63.675 -12.170 -5.825
42 HE ARG 9 HE ARG 9 64.680 -13.783 -4.444
43 1HH1 ARG 9 1HH1 ARG 9 64.757 -10.600 -2.991
44 2HH1 ARG 9 2HH1 ARG 9 65.012 -11.209 -1.392
45 1HH2 ARG 9 1HH2 ARG 9 64.998 -14.568 -2.341
46 2HH2 ARG 9 2HH2 ARG 9 65.144 -13.455 -1.022
47 H TYR 10 HN TYR 10 63.765 -9.762 -6.250
48 HA TYR 10 HA TYR 10 63.641 -7.324 -7.717
49 1HB TYR 10 HB2 TYR 10 63.166 -8.259 -4.953
50 2HB TYR 10 HB1 TYR 10 63.570 -6.564 -5.136
51 HD1 TYR 10 HD1 TYR 10 61.685 -5.218 -5.076
52 HD2 TYR 10 HD2 TYR 10 61.497 -8.985 -7.033
53 HE1 TYR 10 HE1 TYR 10 59.361 -4.749 -5.726
54 HE2 TYR 10 HE2 TYR 10 59.163 -8.533 -7.692
55 HH TYR 10 HH TYR 10 57.797 -5.627 -7.738
56 H LYS 11 HN LYS 11 64.756 -5.513 -5.958
57 HA LYS 11 HA LYS 11 67.401 -5.414 -6.845
58 1HB LYS 11 HB2 LYS 11 66.537 -3.793 -4.504
59 2HB LYS 11 HB1 LYS 11 67.516 -3.325 -5.884
60 1HG LYS 11 HG2 LYS 11 65.417 -3.482 -7.275
61 2HG LYS 11 HG1 LYS 11 64.532 -3.633 -5.750
62 1HD LYS 11 HD2 LYS 11 65.419 -1.489 -5.006
63 2HD LYS 11 HD1 LYS 11 66.346 -1.340 -6.501
64 1HE LYS 11 HE2 LYS 11 63.444 -1.814 -6.787
65 2HE LYS 11 HE1 LYS 11 63.925 -0.247 -6.147
66 1HZ LYS 11 HZ1 LYS 11 65.157 -1.332 -8.596
67 2HZ LYS 11 HZ2 LYS 11 65.079 0.276 -8.076
68 3HZ LYS 11 HZ3 LYS 11 63.689 -0.494 -8.657
69 H THR 12 HN THR 12 68.851 -4.474 -4.732
70 HA THR 12 HA THR 12 69.098 -6.791 -2.921
71 HB THR 12 HB THR 12 70.798 -7.005 -4.573
72 HG1 THR 12 HG1 THR 12 72.475 -5.898 -2.730
73 1HG2 THR 12 1HG2 THR 12 70.876 -4.145 -4.496
74 2HG2 THR 12 2HG2 THR 12 71.555 -5.257 -5.684
75 3HG2 THR 12 3HG2 THR 12 72.492 -4.812 -4.258
76 H GLU 13 HN GLU 13 68.349 -3.632 -2.931
77 HA GLU 13 HA GLU 13 70.068 -2.815 -0.812
78 1HB GLU 13 HB2 GLU 13 68.273 -1.517 -2.686
79 2HB GLU 13 HB1 GLU 13 68.229 -0.819 -1.077
80 1HG GLU 13 HG2 GLU 13 70.365 -0.052 -1.201
81 2HG GLU 13 HG1 GLU 13 70.892 -1.348 -2.275
82 H LEU 14 HN LEU 14 68.656 -1.352 0.924
83 HA LEU 14 HA LEU 14 66.341 -2.737 1.908
84 1HB LEU 14 HB2 LEU 14 67.458 -3.184 4.159
85 2HB LEU 14 HB1 LEU 14 67.733 -4.314 2.849
86 HG LEU 14 HG LEU 14 69.672 -3.523 4.440
87 1HD1 LEU 14 1HD1 LEU 14 69.758 -4.111 1.531
88 2HD1 LEU 14 2HD1 LEU 14 70.228 -5.111 2.903
89 3HD1 LEU 14 3HD1 LEU 14 71.244 -3.757 2.410
90 1HD2 LEU 14 1HD2 LEU 14 69.537 -1.305 2.430
91 2HD2 LEU 14 2HD2 LEU 14 71.020 -1.749 3.250
92 3HD2 LEU 14 3HD2 LEU 14 69.629 -1.199 4.175
93 H CYS 15 HN CYS 15 65.263 -1.723 3.599
94 HA CYS 15 HA CYS 15 65.687 1.059 3.825
95 1HB CYS 15 HB2 CYS 15 63.431 -0.118 3.849
96 2HB CYS 15 HB1 CYS 15 63.810 -0.629 5.492
97 H ARG 16 HN ARG 16 67.793 1.254 4.770
98 HA ARG 16 HA ARG 16 68.345 -0.002 7.262
99 1HB ARG 16 HB2 ARG 16 69.814 1.682 5.302
100 2HB ARG 16 HB1 ARG 16 70.346 1.780 6.977
101 1HG ARG 16 HG2 ARG 16 69.933 -0.884 5.713
102 2HG ARG 16 HG1 ARG 16 71.419 0.021 5.440
103 1HD ARG 16 HD2 ARG 16 70.644 -0.039 8.231
104 2HD ARG 16 HD1 ARG 16 70.878 -1.653 7.565
105 HE ARG 16 HE ARG 16 72.914 0.481 7.571
106 1HH1 ARG 16 1HH1 ARG 16 72.048 -2.912 7.539
107 2HH1 ARG 16 2HH1 ARG 16 73.684 -3.451 7.695
108 1HH2 ARG 16 1HH2 ARG 16 75.056 -0.239 7.779
109 2HH2 ARG 16 2HH2 ARG 16 75.388 -1.937 7.828
110 H THR 17 HN THR 17 69.363 3.296 6.998
111 HA THR 17 HA THR 17 68.279 3.968 9.522
112 HB THR 17 HB THR 17 70.417 4.892 8.687
113 HG1 THR 17 HG1 THR 17 70.039 6.476 9.979
114 1HG2 THR 17 1HG2 THR 17 70.324 5.478 6.495
115 2HG2 THR 17 2HG2 THR 17 70.014 7.048 7.234
116 3HG2 THR 17 3HG2 THR 17 68.676 6.091 6.611
117 H TYR 18 HN TYR 18 67.242 4.204 6.307
118 HA TYR 18 HA TYR 18 65.562 6.328 6.147
119 1HB TYR 18 HB2 TYR 18 65.529 3.548 5.025
120 2HB TYR 18 HB1 TYR 18 64.319 4.730 4.564
121 HD1 TYR 18 HD1 TYR 18 64.860 5.058 2.303
122 HD2 TYR 18 HD2 TYR 18 67.919 5.398 5.212
123 HE1 TYR 18 HE1 TYR 18 66.334 6.071 0.628
124 HE2 TYR 18 HE2 TYR 18 69.418 6.365 3.541
125 HH TYR 18 HH TYR 18 69.057 7.715 1.321
126 H SER 19 HN SER 19 64.725 3.044 7.306
127 HA SER 19 HA SER 19 62.054 3.472 7.807
128 1HB SER 19 HB2 SER 19 62.158 1.540 9.324
129 2HB SER 19 HB1 SER 19 63.066 1.235 7.848
130 HG SER 19 HG SER 19 64.759 2.327 9.531
131 H GLU 20 HN GLU 20 64.772 4.435 9.652
132 HA GLU 20 HA GLU 20 63.381 4.939 12.087
133 1HB GLU 20 HB2 GLU 20 66.061 4.898 11.234
134 2HB GLU 20 HB1 GLU 20 65.763 6.539 11.799
135 1HG GLU 20 HG2 GLU 20 65.050 5.733 13.937
136 2HG GLU 20 HG1 GLU 20 65.144 4.059 13.379
137 H SER 21 HN SER 21 64.346 6.852 9.318
138 HA SER 21 HA SER 21 62.334 8.626 9.128
139 1HB SER 21 HB2 SER 21 62.592 9.354 11.431
140 2HB SER 21 HB1 SER 21 64.302 9.694 11.167
141 HG SER 21 HG SER 21 63.642 11.309 9.664
142 H GLY 22 HN GLY 22 65.159 7.543 8.139
143 1HA GLY 22 HA2 GLY 22 66.690 9.655 7.262
144 2HA GLY 22 HA1 GLY 22 66.606 8.096 6.465
145 H ARG 23 HN ARG 23 65.176 7.814 4.793
146 HA ARG 23 HA ARG 23 63.962 10.218 3.633
147 1HB ARG 23 HB2 ARG 23 66.182 9.891 2.641
148 2HB ARG 23 HB1 ARG 23 65.725 8.272 2.179
149 1HG ARG 23 HG2 ARG 23 63.771 9.980 1.107
150 2HG ARG 23 HG1 ARG 23 65.341 10.708 0.762
151 1HD ARG 23 HD2 ARG 23 66.074 8.420 -0.056
152 2HD ARG 23 HD1 ARG 23 64.379 7.950 0.021
153 HE ARG 23 HE ARG 23 65.622 9.607 -1.958
154 1HH1 ARG 23 1HH1 ARG 23 62.620 8.872 -0.341
155 2HH1 ARG 23 2HH1 ARG 23 61.632 9.439 -1.645
156 1HH2 ARG 23 1HH2 ARG 23 64.330 10.368 -3.668
157 2HH2 ARG 23 2HH2 ARG 23 62.605 10.308 -3.529
158 H CYS 24 HN CYS 24 64.499 6.889 2.979
159 HA CYS 24 HA CYS 24 63.188 5.112 2.489
160 1HB CYS 24 HB2 CYS 24 61.182 6.971 3.559
161 2HB CYS 24 HB1 CYS 24 60.561 5.740 2.468
162 H ARG 25 HN ARG 25 64.207 5.506 0.461
163 HA ARG 25 HA ARG 25 63.392 7.110 -1.584
164 1HB ARG 25 HB2 ARG 25 65.453 5.853 -1.633
165 2HB ARG 25 HB1 ARG 25 64.570 4.351 -1.730
166 1HG ARG 25 HG2 ARG 25 65.402 4.836 -3.898
167 2HG ARG 25 HG1 ARG 25 63.654 5.118 -3.929
168 1HD ARG 25 HD2 ARG 25 64.609 6.957 -5.051
169 2HD ARG 25 HD1 ARG 25 64.188 7.550 -3.446
170 HE ARG 25 HE ARG 25 66.798 6.729 -3.249
171 1HH1 ARG 25 1HH1 ARG 25 65.046 9.003 -5.232
172 2HH1 ARG 25 2HH1 ARG 25 66.395 10.070 -5.424
173 1HH2 ARG 25 1HH2 ARG 25 68.590 8.125 -3.527
174 2HH2 ARG 25 2HH2 ARG 25 68.401 9.580 -4.448
175 H TYR 26 HN TYR 26 61.642 4.498 -0.357
176 HA TYR 26 HA TYR 26 59.589 4.839 -2.390
177 1HB TYR 26 HB2 TYR 26 60.733 2.165 -1.546
178 2HB TYR 26 HB1 TYR 26 59.212 2.345 -2.417
179 HD1 TYR 26 HD1 TYR 26 59.906 4.436 -4.358
180 HD2 TYR 26 HD2 TYR 26 62.141 1.078 -3.042
181 HE1 TYR 26 HE1 TYR 26 61.103 4.404 -6.504
182 HE2 TYR 26 HE2 TYR 26 63.352 1.041 -5.176
183 HH TYR 26 HH TYR 26 62.364 2.842 -7.886
184 H GLY 27 HN GLY 27 59.545 6.005 0.024
185 1HA GLY 27 HA2 GLY 27 58.710 4.871 2.309
186 2HA GLY 27 HA1 GLY 27 57.972 6.338 1.691
187 H ALA 28 HN ALA 28 57.233 3.550 3.002
188 HA ALA 28 HA ALA 28 55.289 2.429 3.280
189 1HB ALA 28 HB1 ALA 28 54.063 4.468 2.913
190 2HB ALA 28 HB2 ALA 28 53.241 3.133 2.106
191 3HB ALA 28 HB3 ALA 28 54.202 4.272 1.166
192 H LYS 29 HN LYS 29 56.841 2.639 0.269
193 HA LYS 29 HA LYS 29 55.785 0.062 -0.509
194 1HB LYS 29 HB2 LYS 29 55.171 2.218 -1.855
195 2HB LYS 29 HB1 LYS 29 56.777 1.989 -2.531
196 1HG LYS 29 HG2 LYS 29 56.043 0.417 -3.866
197 2HG LYS 29 HG1 LYS 29 55.420 -0.495 -2.497
198 1HD LYS 29 HD2 LYS 29 53.919 1.816 -3.694
199 2HD LYS 29 HD1 LYS 29 53.735 0.166 -4.295
200 1HE LYS 29 HE2 LYS 29 53.533 0.256 -1.415
201 2HE LYS 29 HE1 LYS 29 52.377 1.357 -2.163
202 1HZ LYS 29 HZ1 LYS 29 51.834 -1.174 -1.779
203 2HZ LYS 29 HZ2 LYS 29 52.597 -1.337 -3.277
204 3HZ LYS 29 HZ3 LYS 29 51.243 -0.338 -3.128
205 H CYS 30 HN CYS 30 58.327 1.132 0.913
206 HA CYS 30 HA CYS 30 60.375 0.482 -0.997
207 1HB CYS 30 HB2 CYS 30 61.946 0.918 0.846
208 2HB CYS 30 HB1 CYS 30 60.833 2.254 0.508
209 H GLN 31 HN GLN 31 60.970 -1.426 -1.460
210 HA GLN 31 HA GLN 31 61.044 -3.521 0.559
211 1HB GLN 31 HB2 GLN 31 61.319 -4.823 -1.800
212 2HB GLN 31 HB1 GLN 31 59.787 -4.601 -0.972
213 1HG GLN 31 HG2 GLN 31 59.843 -2.352 -2.436
214 2HG GLN 31 HG1 GLN 31 60.795 -3.411 -3.470
215 1HE2 GLN 31 1HE2 GLN 31 59.551 -5.832 -2.993
216 2HE2 GLN 31 2HE2 GLN 31 57.934 -5.769 -3.623
217 H PHE 32 HN PHE 32 62.718 -1.489 -1.562
218 HA PHE 32 HA PHE 32 65.278 -2.356 -0.652
219 1HB PHE 32 HB2 PHE 32 64.620 -2.615 -3.587
220 2HB PHE 32 HB1 PHE 32 66.216 -2.800 -2.876
221 HD1 PHE 32 HD1 PHE 32 62.944 -4.333 -3.348
222 HD2 PHE 32 HD2 PHE 32 66.813 -4.777 -1.645
223 HE1 PHE 32 HE1 PHE 32 62.570 -6.760 -3.119
224 HE2 PHE 32 HE2 PHE 32 66.446 -7.189 -1.396
225 HZ PHE 32 HZ PHE 32 64.324 -8.190 -2.143
226 H ALA 33 HN ALA 33 66.731 -1.082 -2.814
227 HA ALA 33 HA ALA 33 67.632 1.012 -3.141
228 1HB ALA 33 HB1 ALA 33 66.068 2.533 -4.321
229 2HB ALA 33 HB2 ALA 33 64.749 1.439 -3.905
230 3HB ALA 33 HB3 ALA 33 66.052 0.887 -4.955
231 H HIS 34 HN HIS 34 68.296 1.850 -1.202
232 HA HIS 34 HA HIS 34 66.767 4.003 -0.063
233 1HB HIS 34 HB2 HIS 34 66.629 1.296 1.055
234 2HB HIS 34 HB1 HIS 34 67.121 2.493 2.229
235 HD1 HIS 34 HD1 HIS 34 64.403 3.143 -0.364
236 HD2 HIS 34 HD2 HIS 34 64.996 2.562 3.672
237 HE1 HIS 34 HE1 HIS 34 62.191 3.654 0.792
238 H GLY 35 HN GLY 35 68.314 3.436 2.624
239 1HA GLY 35 HA2 GLY 35 70.558 5.016 2.195
240 2HA GLY 35 HA1 GLY 35 70.297 3.937 3.582
241 H LEU 36 HN LEU 36 71.127 1.922 3.595
242 HA LEU 36 HA LEU 36 73.475 1.513 1.978
243 1HB LEU 36 HB2 LEU 36 72.797 0.851 4.517
244 2HB LEU 36 HB1 LEU 36 72.434 -0.658 3.706
245 HG LEU 36 HG LEU 36 74.988 0.152 2.810
246 1HD1 LEU 36 1HD1 LEU 36 75.932 1.249 4.491
247 2HD1 LEU 36 2HD1 LEU 36 75.673 -0.157 5.520
248 3HD1 LEU 36 3HD1 LEU 36 74.460 1.119 5.452
249 1HD2 LEU 36 1HD2 LEU 36 73.850 -2.044 4.488
250 2HD2 LEU 36 2HD2 LEU 36 75.600 -1.891 4.322
251 3HD2 LEU 36 3HD2 LEU 36 74.597 -2.120 2.892
252 H GLY 37 HN GLY 37 73.106 -1.451 1.901
253 1HA GLY 37 HA2 GLY 37 71.107 -2.681 0.867
254 2HA GLY 37 HA1 GLY 37 71.298 -1.468 -0.361
255 H GLU 38 HN GLU 38 74.343 -2.095 0.620
256 HA GLU 38 HA GLU 38 74.899 -3.517 -1.767
257 1HB GLU 38 HB2 GLU 38 76.864 -3.292 0.489
258 2HB GLU 38 HB1 GLU 38 77.156 -3.249 -1.245
259 1HG GLU 38 HG2 GLU 38 75.837 -1.053 -1.217
260 2HG GLU 38 HG1 GLU 38 76.079 -1.089 0.528
261 H LEU 39 HN LEU 39 73.073 -5.011 -0.076
262 HA LEU 39 HA LEU 39 74.116 -7.038 1.436
263 1HB LEU 39 HB2 LEU 39 71.840 -7.077 -0.505
264 2HB LEU 39 HB1 LEU 39 72.251 -8.474 0.468
265 HG LEU 39 HG LEU 39 71.649 -5.811 1.703
266 1HD1 LEU 39 1HD1 LEU 39 69.491 -7.698 1.927
267 2HD1 LEU 39 2HD1 LEU 39 69.837 -7.371 0.231
268 3HD1 LEU 39 3HD1 LEU 39 69.461 -6.043 1.324
269 1HD2 LEU 39 1HD2 LEU 39 71.890 -6.852 3.656
270 2HD2 LEU 39 2HD2 LEU 39 72.659 -8.151 2.745
271 3HD2 LEU 39 3HD2 LEU 39 70.940 -8.240 3.127
272 H ARG 40 HN ARG 40 73.242 -7.504 -1.903
273 HA ARG 40 HA ARG 40 74.897 -9.806 -2.242
274 1HB ARG 40 HB2 ARG 40 73.988 -9.926 -4.443
275 2HB ARG 40 HB1 ARG 40 72.691 -9.431 -3.357
276 1HG ARG 40 HG2 ARG 40 72.301 -7.823 -4.819
277 2HG ARG 40 HG1 ARG 40 73.740 -7.039 -4.167
278 1HD ARG 40 HD2 ARG 40 74.150 -7.056 -6.447
279 2HD ARG 40 HD1 ARG 40 75.002 -8.494 -5.888
280 HE ARG 40 HE ARG 40 72.969 -9.750 -6.613
281 1HH1 ARG 40 1HH1 ARG 40 73.812 -6.709 -8.129
282 2HH1 ARG 40 2HH1 ARG 40 72.951 -7.068 -9.585
283 1HH2 ARG 40 1HH2 ARG 40 71.839 -10.196 -8.527
284 2HH2 ARG 40 2HH2 ARG 40 71.817 -9.022 -9.798
285 H GLN 41 HN GLN 41 76.188 -7.089 -1.743
286 HA GLN 41 HA GLN 41 78.317 -7.387 -3.623
287 1HB GLN 41 HB2 GLN 41 76.783 -4.798 -3.312
288 2HB GLN 41 HB1 GLN 41 78.353 -4.920 -4.095
289 1HG GLN 41 HG2 GLN 41 77.505 -5.864 -5.970
290 2HG GLN 41 HG1 GLN 41 76.214 -6.693 -5.104
291 1HE2 GLN 41 1HE2 GLN 41 77.227 -3.326 -5.613
292 2HE2 GLN 41 2HE2 GLN 41 75.659 -2.740 -6.041
293 H ALA 42 HN ALA 42 79.306 -8.120 -1.603
294 HA ALA 42 HA ALA 42 79.551 -6.794 0.757
295 1HB ALA 42 HB1 ALA 42 80.948 -8.875 -0.540
296 2HB ALA 42 HB2 ALA 42 80.938 -8.468 1.177
297 3HB ALA 42 HB3 ALA 42 82.151 -7.760 0.109
298 H ASN 43 HN ASN 43 80.891 -5.228 1.649
299 HA ASN 43 HA ASN 43 81.633 -3.108 -0.128
300 1HB ASN 43 HB2 ASN 43 82.352 -1.955 1.966
301 2HB ASN 43 HB1 ASN 43 80.693 -2.546 2.024
302 1HD2 ASN 43 1HD2 ASN 43 80.680 -2.584 4.268
303 2HD2 ASN 43 2HD2 ASN 43 81.543 -3.775 5.176
Start of MODEL 21
1 H MET 4 HT1 MET 4 64.489 -21.703 -11.302
2 HA MET 4 HA MET 4 61.987 -21.969 -12.799
3 1HB MET 4 HB2 MET 4 63.950 -23.953 -12.508
4 2HB MET 4 HB1 MET 4 62.755 -24.309 -11.268
5 1HG MET 4 HG2 MET 4 61.419 -23.694 -13.715
6 2HG MET 4 HG1 MET 4 62.658 -24.910 -14.016
7 1HE MET 4 HE1 MET 4 62.334 -27.028 -14.008
8 2HE MET 4 HE2 MET 4 61.075 -28.006 -13.253
9 3HE MET 4 HE3 MET 4 62.493 -27.520 -12.323
10 H THR 5 HN THR 5 62.874 -20.214 -10.618
11 HA THR 5 HA THR 5 60.769 -20.830 -8.755
12 HB THR 5 HB THR 5 62.626 -20.450 -6.851
13 HG1 THR 5 HG1 THR 5 64.452 -21.717 -7.415
14 1HG2 THR 5 1HG2 THR 5 62.609 -22.781 -6.377
15 2HG2 THR 5 2HG2 THR 5 62.169 -23.172 -8.040
16 3HG2 THR 5 3HG2 THR 5 61.019 -22.338 -6.993
17 H THR 6 HN THR 6 63.776 -18.906 -8.622
18 HA THR 6 HA THR 6 62.209 -16.566 -7.880
19 HB THR 6 HB THR 6 64.433 -15.507 -7.514
20 HG1 THR 6 HG1 THR 6 66.262 -16.874 -7.651
21 1HG2 THR 6 1HG2 THR 6 64.924 -16.544 -5.526
22 2HG2 THR 6 2HG2 THR 6 64.566 -18.154 -6.154
23 3HG2 THR 6 3HG2 THR 6 63.249 -17.038 -5.791
24 H SER 7 HN SER 7 61.187 -15.886 -9.732
25 HA SER 7 HA SER 7 62.783 -15.391 -12.131
26 1HB SER 7 HB2 SER 7 60.209 -16.303 -11.808
27 2HB SER 7 HB1 SER 7 59.953 -14.599 -12.185
28 HG SER 7 HG SER 7 60.568 -16.568 -13.849
29 H SER 8 HN SER 8 63.799 -13.508 -12.267
30 HA SER 8 HA SER 8 64.277 -11.292 -12.133
31 1HB SER 8 HB2 SER 8 61.266 -11.210 -12.256
32 2HB SER 8 HB1 SER 8 62.228 -9.735 -12.153
33 HG SER 8 HG SER 8 63.149 -10.197 -14.099
34 H ARG 9 HN ARG 9 65.290 -11.388 -10.138
35 HA ARG 9 HA ARG 9 63.806 -11.137 -7.686
36 1HB ARG 9 HB2 ARG 9 65.880 -12.380 -7.683
37 2HB ARG 9 HB1 ARG 9 66.763 -10.999 -8.315
38 1HG ARG 9 HG2 ARG 9 67.343 -10.876 -6.124
39 2HG ARG 9 HG1 ARG 9 65.904 -9.864 -6.099
40 1HD ARG 9 HD2 ARG 9 65.826 -11.388 -4.239
41 2HD ARG 9 HD1 ARG 9 64.579 -11.834 -5.403
42 HE ARG 9 HE ARG 9 65.611 -13.849 -5.636
43 1HH1 ARG 9 1HH1 ARG 9 67.940 -11.572 -4.380
44 2HH1 ARG 9 2HH1 ARG 9 69.207 -12.746 -4.257
45 1HH2 ARG 9 1HH2 ARG 9 67.277 -15.394 -5.479
46 2HH2 ARG 9 2HH2 ARG 9 68.832 -14.916 -4.881
47 H TYR 10 HN TYR 10 64.002 -9.394 -6.210
48 HA TYR 10 HA TYR 10 63.561 -6.879 -7.415
49 1HB TYR 10 HB2 TYR 10 63.481 -8.075 -4.734
50 2HB TYR 10 HB1 TYR 10 63.798 -6.349 -4.770
51 HD1 TYR 10 HD1 TYR 10 61.864 -5.106 -4.389
52 HD2 TYR 10 HD2 TYR 10 61.665 -8.662 -6.727
53 HE1 TYR 10 HE1 TYR 10 59.491 -4.665 -4.828
54 HE2 TYR 10 HE2 TYR 10 59.269 -8.237 -7.164
55 HH TYR 10 HH TYR 10 57.673 -6.475 -7.152
56 H LYS 11 HN LYS 11 64.826 -5.168 -5.548
57 HA LYS 11 HA LYS 11 67.271 -4.786 -6.887
58 1HB LYS 11 HB2 LYS 11 66.664 -3.307 -4.378
59 2HB LYS 11 HB1 LYS 11 67.369 -2.719 -5.875
60 1HG LYS 11 HG2 LYS 11 64.598 -3.625 -6.163
61 2HG LYS 11 HG1 LYS 11 64.805 -2.270 -5.044
62 1HD LYS 11 HD2 LYS 11 65.189 -0.849 -6.713
63 2HD LYS 11 HD1 LYS 11 66.338 -1.943 -7.486
64 1HE LYS 11 HE2 LYS 11 64.772 -2.832 -8.863
65 2HE LYS 11 HE1 LYS 11 63.493 -2.705 -7.656
66 1HZ LYS 11 HZ1 LYS 11 63.371 -0.323 -8.104
67 2HZ LYS 11 HZ2 LYS 11 63.084 -1.224 -9.508
68 3HZ LYS 11 HZ3 LYS 11 64.579 -0.468 -9.281
69 H THR 12 HN THR 12 68.951 -3.835 -4.891
70 HA THR 12 HA THR 12 69.559 -6.259 -3.328
71 HB THR 12 HB THR 12 71.060 -6.333 -5.177
72 HG1 THR 12 HG1 THR 12 72.057 -6.811 -3.255
73 1HG2 THR 12 1HG2 THR 12 71.686 -4.526 -6.284
74 2HG2 THR 12 2HG2 THR 12 72.716 -4.091 -4.920
75 3HG2 THR 12 3HG2 THR 12 71.066 -3.477 -5.009
76 H GLU 13 HN GLU 13 68.308 -3.743 -2.478
77 HA GLU 13 HA GLU 13 70.285 -2.909 -0.539
78 1HB GLU 13 HB2 GLU 13 68.747 -1.340 -2.406
79 2HB GLU 13 HB1 GLU 13 68.539 -0.816 -0.753
80 1HG GLU 13 HG2 GLU 13 70.728 -0.185 -0.514
81 2HG GLU 13 HG1 GLU 13 71.284 -1.325 -1.735
82 H LEU 14 HN LEU 14 68.733 -1.310 1.084
83 HA LEU 14 HA LEU 14 66.339 -2.609 1.937
84 1HB LEU 14 HB2 LEU 14 67.453 -3.064 4.270
85 2HB LEU 14 HB1 LEU 14 67.464 -4.267 2.997
86 HG LEU 14 HG LEU 14 69.633 -3.806 4.368
87 1HD1 LEU 14 1HD1 LEU 14 70.701 -4.955 2.778
88 2HD1 LEU 14 2HD1 LEU 14 70.304 -3.786 1.516
89 3HD1 LEU 14 3HD1 LEU 14 69.116 -4.991 2.008
90 1HD2 LEU 14 1HD2 LEU 14 70.042 -1.726 2.252
91 2HD2 LEU 14 2HD2 LEU 14 71.046 -2.091 3.647
92 3HD2 LEU 14 3HD2 LEU 14 69.477 -1.312 3.867
93 H CYS 15 HN CYS 15 65.351 -1.619 3.747
94 HA CYS 15 HA CYS 15 65.780 1.159 3.885
95 1HB CYS 15 HB2 CYS 15 63.544 -0.041 4.019
96 2HB CYS 15 HB1 CYS 15 63.978 -0.515 5.656
97 H ARG 16 HN ARG 16 68.030 1.164 4.697
98 HA ARG 16 HA ARG 16 68.688 0.087 7.210
99 1HB ARG 16 HB2 ARG 16 70.007 1.805 5.158
100 2HB ARG 16 HB1 ARG 16 70.629 1.896 6.798
101 1HG ARG 16 HG2 ARG 16 70.244 -0.740 5.451
102 2HG ARG 16 HG1 ARG 16 71.705 0.221 5.214
103 1HD ARG 16 HD2 ARG 16 70.815 -0.162 7.995
104 2HD ARG 16 HD1 ARG 16 71.423 -1.596 7.173
105 HE ARG 16 HE ARG 16 73.434 -0.113 6.668
106 1HH1 ARG 16 1HH1 ARG 16 71.518 0.166 9.582
107 2HH1 ARG 16 2HH1 ARG 16 72.817 0.834 10.509
108 1HH2 ARG 16 1HH2 ARG 16 75.128 0.751 7.895
109 2HH2 ARG 16 2HH2 ARG 16 74.863 1.163 9.556
110 H THR 17 HN THR 17 69.629 3.374 6.836
111 HA THR 17 HA THR 17 68.663 4.096 9.397
112 HB THR 17 HB THR 17 70.724 5.067 8.545
113 HG1 THR 17 HG1 THR 17 70.321 7.135 9.169
114 1HG2 THR 17 1HG2 THR 17 70.998 6.201 6.623
115 2HG2 THR 17 2HG2 THR 17 69.378 6.899 6.676
116 3HG2 THR 17 3HG2 THR 17 69.604 5.240 6.125
117 H TYR 18 HN TYR 18 67.423 4.197 6.265
118 HA TYR 18 HA TYR 18 65.733 6.350 6.157
119 1HB TYR 18 HB2 TYR 18 65.674 3.564 5.057
120 2HB TYR 18 HB1 TYR 18 64.459 4.742 4.625
121 HD1 TYR 18 HD1 TYR 18 64.871 5.174 2.373
122 HD2 TYR 18 HD2 TYR 18 68.111 5.253 5.085
123 HE1 TYR 18 HE1 TYR 18 66.308 6.110 0.621
124 HE2 TYR 18 HE2 TYR 18 69.578 6.139 3.343
125 HH TYR 18 HH TYR 18 69.461 6.006 0.594
126 H SER 19 HN SER 19 65.093 3.062 7.367
127 HA SER 19 HA SER 19 62.429 3.184 7.911
128 1HB SER 19 HB2 SER 19 64.620 1.508 8.666
129 2HB SER 19 HB1 SER 19 63.581 1.760 10.068
130 HG SER 19 HG SER 19 61.812 1.233 8.511
131 H GLU 20 HN GLU 20 64.772 5.106 9.390
132 HA GLU 20 HA GLU 20 63.181 5.543 11.789
133 1HB GLU 20 HB2 GLU 20 65.956 5.637 11.234
134 2HB GLU 20 HB1 GLU 20 65.458 7.276 11.652
135 1HG GLU 20 HG2 GLU 20 64.174 5.978 13.563
136 2HG GLU 20 HG1 GLU 20 65.481 4.819 13.290
137 H SER 21 HN SER 21 62.240 6.283 9.216
138 HA SER 21 HA SER 21 60.972 7.947 8.300
139 1HB SER 21 HB2 SER 21 60.617 8.487 10.816
140 2HB SER 21 HB1 SER 21 61.745 9.812 10.528
141 HG SER 21 HG SER 21 59.601 9.481 8.758
142 H GLY 22 HN GLY 22 64.058 7.774 8.107
143 1HA GLY 22 HA2 GLY 22 65.073 10.332 7.691
144 2HA GLY 22 HA1 GLY 22 65.729 8.863 6.993
145 H ARG 23 HN ARG 23 65.137 8.255 4.972
146 HA ARG 23 HA ARG 23 63.877 10.349 3.347
147 1HB ARG 23 HB2 ARG 23 66.284 9.788 2.917
148 2HB ARG 23 HB1 ARG 23 65.738 8.211 2.404
149 1HG ARG 23 HG2 ARG 23 64.359 10.400 1.070
150 2HG ARG 23 HG1 ARG 23 66.098 10.357 0.775
151 1HD ARG 23 HD2 ARG 23 65.911 8.000 0.074
152 2HD ARG 23 HD1 ARG 23 64.176 8.065 0.365
153 HE ARG 23 HE ARG 23 63.902 9.199 -1.605
154 1HH1 ARG 23 1HH1 ARG 23 67.296 9.140 -0.788
155 2HH1 ARG 23 2HH1 ARG 23 67.803 9.741 -2.331
156 1HH2 ARG 23 1HH2 ARG 23 64.567 9.988 -3.628
157 2HH2 ARG 23 2HH2 ARG 23 66.254 10.221 -3.942
158 H CYS 24 HN CYS 24 64.463 6.936 3.182
159 HA CYS 24 HA CYS 24 63.217 5.161 2.504
160 1HB CYS 24 HB2 CYS 24 61.140 7.001 3.518
161 2HB CYS 24 HB1 CYS 24 60.592 5.692 2.482
162 H ARG 25 HN ARG 25 64.175 5.480 0.454
163 HA ARG 25 HA ARG 25 63.335 7.131 -1.570
164 1HB ARG 25 HB2 ARG 25 65.401 5.905 -1.686
165 2HB ARG 25 HB1 ARG 25 64.539 4.388 -1.714
166 1HG ARG 25 HG2 ARG 25 65.355 4.929 -3.921
167 2HG ARG 25 HG1 ARG 25 63.588 4.957 -3.900
168 1HD ARG 25 HD2 ARG 25 63.676 7.008 -4.751
169 2HD ARG 25 HD1 ARG 25 64.391 7.554 -3.236
170 HE ARG 25 HE ARG 25 66.531 6.637 -4.568
171 1HH1 ARG 25 1HH1 ARG 25 63.947 8.783 -5.533
172 2HH1 ARG 25 2HH1 ARG 25 64.941 9.682 -6.629
173 1HH2 ARG 25 1HH2 ARG 25 67.831 7.822 -6.009
174 2HH2 ARG 25 2HH2 ARG 25 67.143 9.139 -6.900
175 H TYR 26 HN TYR 26 61.715 4.421 -0.348
176 HA TYR 26 HA TYR 26 59.591 4.705 -2.345
177 1HB TYR 26 HB2 TYR 26 60.786 2.091 -1.382
178 2HB TYR 26 HB1 TYR 26 59.232 2.201 -2.200
179 HD1 TYR 26 HD1 TYR 26 60.247 4.385 -4.213
180 HD2 TYR 26 HD2 TYR 26 61.747 0.599 -2.978
181 HE1 TYR 26 HE1 TYR 26 61.372 4.126 -6.386
182 HE2 TYR 26 HE2 TYR 26 62.880 0.335 -5.140
183 HH TYR 26 HH TYR 26 63.513 1.395 -7.038
184 H GLY 27 HN GLY 27 59.560 5.991 0.008
185 1HA GLY 27 HA2 GLY 27 58.810 4.964 2.368
186 2HA GLY 27 HA1 GLY 27 58.006 6.368 1.691
187 H ALA 28 HN ALA 28 57.493 3.468 3.044
188 HA ALA 28 HA ALA 28 55.587 2.287 3.424
189 1HB ALA 28 HB1 ALA 28 53.512 3.085 2.842
190 2HB ALA 28 HB2 ALA 28 54.068 3.693 1.284
191 3HB ALA 28 HB3 ALA 28 54.479 4.558 2.765
192 H LYS 29 HN LYS 29 56.937 2.673 0.331
193 HA LYS 29 HA LYS 29 55.916 0.103 -0.520
194 1HB LYS 29 HB2 LYS 29 55.556 2.441 -1.813
195 2HB LYS 29 HB1 LYS 29 57.073 1.915 -2.527
196 1HG LYS 29 HG2 LYS 29 56.004 0.528 -3.843
197 2HG LYS 29 HG1 LYS 29 55.312 -0.293 -2.446
198 1HD LYS 29 HD2 LYS 29 54.171 2.205 -3.687
199 2HD LYS 29 HD1 LYS 29 53.606 0.571 -4.036
200 1HE LYS 29 HE2 LYS 29 53.693 0.875 -1.218
201 2HE LYS 29 HE1 LYS 29 52.878 2.290 -1.888
202 1HZ LYS 29 HZ1 LYS 29 52.085 -0.299 -2.958
203 2HZ LYS 29 HZ2 LYS 29 51.143 1.062 -2.609
204 3HZ LYS 29 HZ3 LYS 29 51.627 0.025 -1.362
205 H CYS 30 HN CYS 30 58.447 1.136 1.018
206 HA CYS 30 HA CYS 30 60.541 0.442 -0.825
207 1HB CYS 30 HB2 CYS 30 62.066 0.867 1.049
208 2HB CYS 30 HB1 CYS 30 60.968 2.210 0.694
209 H GLN 31 HN GLN 31 61.579 -1.307 -1.083
210 HA GLN 31 HA GLN 31 61.351 -3.488 0.843
211 1HB GLN 31 HB2 GLN 31 60.468 -3.419 -1.867
212 2HB GLN 31 HB1 GLN 31 61.741 -4.615 -1.696
213 1HG GLN 31 HG2 GLN 31 60.511 -5.822 -0.089
214 2HG GLN 31 HG1 GLN 31 59.349 -4.511 0.106
215 1HE2 GLN 31 1HE2 GLN 31 60.062 -7.379 -1.463
216 2HE2 GLN 31 2HE2 GLN 31 58.801 -7.345 -2.654
217 H PHE 32 HN PHE 32 63.281 -1.519 -1.154
218 HA PHE 32 HA PHE 32 65.688 -2.744 -0.136
219 1HB PHE 32 HB2 PHE 32 65.099 -2.755 -3.083
220 2HB PHE 32 HB1 PHE 32 66.703 -2.974 -2.410
221 HD1 PHE 32 HD1 PHE 32 63.386 -4.449 -2.806
222 HD2 PHE 32 HD2 PHE 32 67.361 -5.025 -1.429
223 HE1 PHE 32 HE1 PHE 32 63.001 -6.883 -2.736
224 HE2 PHE 32 HE2 PHE 32 66.989 -7.463 -1.335
225 HZ PHE 32 HZ PHE 32 64.808 -8.395 -1.997
226 H ALA 33 HN ALA 33 65.135 -0.818 -3.067
227 HA ALA 33 HA ALA 33 67.245 0.838 -2.986
228 1HB ALA 33 HB1 ALA 33 65.344 2.601 -3.853
229 2HB ALA 33 HB2 ALA 33 64.567 1.043 -4.125
230 3HB ALA 33 HB3 ALA 33 66.139 1.381 -4.847
231 H HIS 34 HN HIS 34 68.043 1.789 -1.232
232 HA HIS 34 HA HIS 34 66.729 4.058 -0.079
233 1HB HIS 34 HB2 HIS 34 66.710 1.418 1.303
234 2HB HIS 34 HB1 HIS 34 67.137 2.803 2.295
235 HD1 HIS 34 HD1 HIS 34 64.374 3.196 -0.262
236 HD2 HIS 34 HD2 HIS 34 65.014 2.627 3.762
237 HE1 HIS 34 HE1 HIS 34 62.151 3.606 0.908
238 H GLY 35 HN GLY 35 68.591 3.241 2.480
239 1HA GLY 35 HA2 GLY 35 70.844 4.758 1.703
240 2HA GLY 35 HA1 GLY 35 70.636 3.826 3.205
241 H LEU 36 HN LEU 36 72.078 2.328 3.485
242 HA LEU 36 HA LEU 36 73.785 1.368 1.424
243 1HB LEU 36 HB2 LEU 36 73.960 1.549 4.127
244 2HB LEU 36 HB1 LEU 36 73.535 -0.143 3.960
245 HG LEU 36 HG LEU 36 75.689 0.637 2.157
246 1HD1 LEU 36 1HD1 LEU 36 77.233 1.495 3.538
247 2HD1 LEU 36 2HD1 LEU 36 76.716 0.498 4.900
248 3HD1 LEU 36 3HD1 LEU 36 75.846 1.981 4.512
249 1HD2 LEU 36 1HD2 LEU 36 76.503 -1.313 4.017
250 2HD2 LEU 36 2HD2 LEU 36 75.951 -1.559 2.360
251 3HD2 LEU 36 3HD2 LEU 36 74.796 -1.615 3.691
252 H GLY 37 HN GLY 37 73.995 -1.295 1.822
253 1HA GLY 37 HA2 GLY 37 71.893 -2.954 2.066
254 2HA GLY 37 HA1 GLY 37 71.701 -2.286 0.456
255 H GLU 38 HN GLU 38 73.325 -2.676 -1.120
256 HA GLU 38 HA GLU 38 74.496 -4.252 -2.313
257 1HB GLU 38 HB2 GLU 38 76.223 -3.757 0.107
258 2HB GLU 38 HB1 GLU 38 76.802 -4.528 -1.362
259 1HG GLU 38 HG2 GLU 38 75.733 -2.282 -2.397
260 2HG GLU 38 HG1 GLU 38 76.211 -1.700 -0.805
261 H LEU 39 HN LEU 39 72.552 -5.503 -0.361
262 HA LEU 39 HA LEU 39 73.421 -7.630 1.060
263 1HB LEU 39 HB2 LEU 39 71.152 -7.833 -0.906
264 2HB LEU 39 HB1 LEU 39 71.389 -8.831 0.514
265 HG LEU 39 HG LEU 39 71.233 -5.977 1.119
266 1HD1 LEU 39 1HD1 LEU 39 68.585 -6.361 0.854
267 2HD1 LEU 39 2HD1 LEU 39 69.160 -7.279 -0.539
268 3HD1 LEU 39 3HD1 LEU 39 69.577 -5.571 -0.374
269 1HD2 LEU 39 1HD2 LEU 39 69.790 -8.434 2.111
270 2HD2 LEU 39 2HD2 LEU 39 69.628 -6.821 2.804
271 3HD2 LEU 39 3HD2 LEU 39 71.182 -7.652 2.860
272 H ARG 40 HN ARG 40 73.305 -7.441 -2.392
273 HA ARG 40 HA ARG 40 74.600 -10.069 -2.629
274 1HB ARG 40 HB2 ARG 40 73.633 -10.337 -4.765
275 2HB ARG 40 HB1 ARG 40 72.348 -9.742 -3.718
276 1HG ARG 40 HG2 ARG 40 71.965 -8.124 -5.168
277 2HG ARG 40 HG1 ARG 40 73.571 -7.476 -4.824
278 1HD ARG 40 HD2 ARG 40 74.367 -9.290 -6.499
279 2HD ARG 40 HD1 ARG 40 72.690 -9.277 -7.041
280 HE ARG 40 HE ARG 40 74.677 -7.266 -7.525
281 1HH1 ARG 40 1HH1 ARG 40 71.247 -7.841 -7.202
282 2HH1 ARG 40 2HH1 ARG 40 70.801 -6.471 -8.164
283 1HH2 ARG 40 1HH2 ARG 40 74.086 -5.465 -8.796
284 2HH2 ARG 40 2HH2 ARG 40 72.409 -5.125 -9.069
285 H GLN 41 HN GLN 41 76.116 -7.754 -1.990
286 HA GLN 41 HA GLN 41 77.911 -7.792 -4.235
287 1HB GLN 41 HB2 GLN 41 76.917 -5.213 -3.033
288 2HB GLN 41 HB1 GLN 41 78.222 -5.341 -4.201
289 1HG GLN 41 HG2 GLN 41 76.026 -6.674 -5.327
290 2HG GLN 41 HG1 GLN 41 75.398 -5.183 -4.633
291 1HE2 GLN 41 1HE2 GLN 41 75.099 -3.912 -6.343
292 2HE2 GLN 41 2HE2 GLN 41 76.312 -3.502 -7.502
293 H ALA 42 HN ALA 42 77.440 -6.255 -1.057
294 HA ALA 42 HA ALA 42 78.785 -6.049 0.753
295 1HB ALA 42 HB1 ALA 42 78.854 -8.354 1.029
296 2HB ALA 42 HB2 ALA 42 80.558 -7.898 1.009
297 3HB ALA 42 HB3 ALA 42 79.815 -8.599 -0.429
298 H ASN 43 HN ASN 43 80.387 -4.685 1.216
299 HA ASN 43 HA ASN 43 82.861 -4.658 -0.243
300 1HB ASN 43 HB2 ASN 43 80.796 -3.088 -1.282
301 2HB ASN 43 HB1 ASN 43 81.803 -1.957 -0.387
302 1HD2 ASN 43 1HD2 ASN 43 84.231 -2.361 -0.786
303 2HD2 ASN 43 2HD2 ASN 43 84.683 -2.556 -2.441
Start of MODEL 22
1 H MET 4 HT1 MET 4 63.711 -20.033 -3.869
2 HA MET 4 HA MET 4 64.323 -22.085 -4.326
3 1HB MET 4 HB2 MET 4 61.695 -22.510 -4.544
4 2HB MET 4 HB1 MET 4 62.118 -22.673 -6.243
5 1HG MET 4 HG2 MET 4 62.154 -24.840 -5.315
6 2HG MET 4 HG1 MET 4 63.833 -24.362 -5.561
7 1HE MET 4 HE1 MET 4 63.040 -26.863 -3.425
8 2HE MET 4 HE2 MET 4 61.486 -26.035 -3.538
9 3HE MET 4 HE3 MET 4 62.271 -26.235 -1.969
10 H THR 5 HN THR 5 66.100 -21.390 -5.435
11 HA THR 5 HA THR 5 67.488 -20.973 -7.191
12 HB THR 5 HB THR 5 65.420 -22.431 -8.845
13 HG1 THR 5 HG1 THR 5 67.543 -23.490 -7.291
14 1HG2 THR 5 1HG2 THR 5 67.963 -23.225 -9.595
15 2HG2 THR 5 2HG2 THR 5 68.083 -21.475 -9.402
16 3HG2 THR 5 3HG2 THR 5 66.876 -22.161 -10.489
17 H THR 6 HN THR 6 66.790 -18.702 -6.873
18 HA THR 6 HA THR 6 64.852 -17.554 -8.626
19 HB THR 6 HB THR 6 65.429 -16.526 -6.472
20 HG1 THR 6 HG1 THR 6 64.719 -15.231 -8.309
21 1HG2 THR 6 1HG2 THR 6 67.836 -15.174 -7.276
22 2HG2 THR 6 2HG2 THR 6 68.075 -16.920 -7.220
23 3HG2 THR 6 3HG2 THR 6 67.482 -16.065 -5.797
24 H SER 7 HN SER 7 65.146 -16.339 -10.481
25 HA SER 7 HA SER 7 67.644 -16.878 -11.915
26 1HB SER 7 HB2 SER 7 65.389 -15.573 -13.324
27 2HB SER 7 HB1 SER 7 66.431 -16.897 -13.843
28 HG SER 7 HG SER 7 64.055 -16.959 -12.394
29 H SER 8 HN SER 8 65.942 -14.338 -10.376
30 HA SER 8 HA SER 8 68.030 -12.463 -11.092
31 1HB SER 8 HB2 SER 8 65.320 -11.303 -11.384
32 2HB SER 8 HB1 SER 8 66.797 -10.966 -12.288
33 HG SER 8 HG SER 8 66.450 -12.839 -13.482
34 H ARG 9 HN ARG 9 64.921 -12.920 -9.435
35 HA ARG 9 HA ARG 9 64.252 -12.437 -7.310
36 1HB ARG 9 HB2 ARG 9 66.735 -13.236 -6.887
37 2HB ARG 9 HB1 ARG 9 66.996 -11.536 -6.528
38 1HG ARG 9 HG2 ARG 9 64.652 -12.597 -5.184
39 2HG ARG 9 HG1 ARG 9 66.127 -13.472 -4.769
40 1HD ARG 9 HD2 ARG 9 66.415 -10.551 -4.805
41 2HD ARG 9 HD1 ARG 9 65.286 -11.154 -3.593
42 HE ARG 9 HE ARG 9 67.046 -12.291 -2.538
43 1HH1 ARG 9 1HH1 ARG 9 68.153 -10.507 -5.336
44 2HH1 ARG 9 2HH1 ARG 9 69.818 -10.591 -4.879
45 1HH2 ARG 9 1HH2 ARG 9 69.234 -12.399 -1.947
46 2HH2 ARG 9 2HH2 ARG 9 70.433 -11.663 -2.958
47 H TYR 10 HN TYR 10 64.337 -10.536 -5.649
48 HA TYR 10 HA TYR 10 63.664 -8.185 -7.089
49 1HB TYR 10 HB2 TYR 10 63.633 -9.120 -4.280
50 2HB TYR 10 HB1 TYR 10 63.650 -7.388 -4.534
51 HD1 TYR 10 HD1 TYR 10 61.517 -6.452 -4.347
52 HD2 TYR 10 HD2 TYR 10 61.990 -10.271 -6.171
53 HE1 TYR 10 HE1 TYR 10 59.098 -6.538 -4.781
54 HE2 TYR 10 HE2 TYR 10 59.569 -10.364 -6.613
55 HH TYR 10 HH TYR 10 57.369 -8.695 -5.145
56 H LYS 11 HN LYS 11 64.612 -6.172 -5.423
57 HA LYS 11 HA LYS 11 67.075 -5.641 -6.610
58 1HB LYS 11 HB2 LYS 11 66.078 -4.120 -4.235
59 2HB LYS 11 HB1 LYS 11 66.939 -3.528 -5.649
60 1HG LYS 11 HG2 LYS 11 64.794 -4.311 -6.924
61 2HG LYS 11 HG1 LYS 11 64.050 -4.180 -5.320
62 1HD LYS 11 HD2 LYS 11 63.740 -2.023 -5.854
63 2HD LYS 11 HD1 LYS 11 65.457 -1.839 -5.495
64 1HE LYS 11 HE2 LYS 11 65.638 -2.645 -8.037
65 2HE LYS 11 HE1 LYS 11 64.047 -1.886 -8.099
66 1HZ LYS 11 HZ1 LYS 11 66.086 -0.332 -6.757
67 2HZ LYS 11 HZ2 LYS 11 64.925 0.151 -7.888
68 3HZ LYS 11 HZ3 LYS 11 66.359 -0.574 -8.411
69 H THR 12 HN THR 12 68.676 -4.461 -4.893
70 HA THR 12 HA THR 12 69.694 -6.648 -3.214
71 HB THR 12 HB THR 12 71.760 -4.912 -3.549
72 HG1 THR 12 HG1 THR 12 70.542 -3.655 -5.013
73 1HG2 THR 12 1HG2 THR 12 70.982 -7.446 -4.668
74 2HG2 THR 12 2HG2 THR 12 72.572 -6.864 -4.176
75 3HG2 THR 12 3HG2 THR 12 71.960 -6.500 -5.788
76 H GLU 13 HN GLU 13 68.648 -3.359 -3.163
77 HA GLU 13 HA GLU 13 69.998 -2.682 -0.772
78 1HB GLU 13 HB2 GLU 13 68.473 -1.308 -2.755
79 2HB GLU 13 HB1 GLU 13 67.955 -0.839 -1.146
80 1HG GLU 13 HG2 GLU 13 69.850 0.244 -0.695
81 2HG GLU 13 HG1 GLU 13 70.847 -0.960 -1.508
82 H LEU 14 HN LEU 14 68.504 -1.414 0.902
83 HA LEU 14 HA LEU 14 66.078 -2.699 1.639
84 1HB LEU 14 HB2 LEU 14 67.118 -3.453 3.896
85 2HB LEU 14 HB1 LEU 14 67.207 -4.501 2.497
86 HG LEU 14 HG LEU 14 69.284 -4.151 4.060
87 1HD1 LEU 14 1HD1 LEU 14 69.428 -4.217 1.061
88 2HD1 LEU 14 2HD1 LEU 14 69.357 -5.585 2.163
89 3HD1 LEU 14 3HD1 LEU 14 70.780 -4.549 2.131
90 1HD2 LEU 14 1HD2 LEU 14 69.182 -1.656 3.773
91 2HD2 LEU 14 2HD2 LEU 14 69.764 -1.905 2.130
92 3HD2 LEU 14 3HD2 LEU 14 70.753 -2.403 3.497
93 H CYS 15 HN CYS 15 65.056 -1.701 3.409
94 HA CYS 15 HA CYS 15 65.692 1.012 3.777
95 1HB CYS 15 HB2 CYS 15 63.384 -0.116 3.854
96 2HB CYS 15 HB1 CYS 15 63.796 -0.627 5.486
97 H ARG 16 HN ARG 16 67.948 0.752 4.553
98 HA ARG 16 HA ARG 16 68.554 -0.539 6.970
99 1HB ARG 16 HB2 ARG 16 69.968 1.121 4.999
100 2HB ARG 16 HB1 ARG 16 70.535 1.336 6.647
101 1HG ARG 16 HG2 ARG 16 70.327 -1.298 5.230
102 2HG ARG 16 HG1 ARG 16 71.809 -0.381 5.500
103 1HD ARG 16 HD2 ARG 16 72.032 -1.400 7.458
104 2HD ARG 16 HD1 ARG 16 70.549 -0.613 7.998
105 HE ARG 16 HE ARG 16 69.974 -2.932 6.472
106 1HH1 ARG 16 1HH1 ARG 16 71.058 -1.899 9.624
107 2HH1 ARG 16 2HH1 ARG 16 70.455 -3.307 10.431
108 1HH2 ARG 16 1HH2 ARG 16 69.184 -4.785 7.528
109 2HH2 ARG 16 2HH2 ARG 16 69.394 -4.949 9.240
110 H THR 17 HN THR 17 69.503 2.802 6.781
111 HA THR 17 HA THR 17 68.556 3.286 9.432
112 HB THR 17 HB THR 17 70.751 4.126 8.572
113 HG1 THR 17 HG1 THR 17 69.032 6.215 9.402
114 1HG2 THR 17 1HG2 THR 17 70.230 6.535 7.451
115 2HG2 THR 17 2HG2 THR 17 69.025 5.516 6.670
116 3HG2 THR 17 3HG2 THR 17 70.731 5.096 6.566
117 H TYR 18 HN TYR 18 67.542 3.819 6.257
118 HA TYR 18 HA TYR 18 65.989 6.038 6.209
119 1HB TYR 18 HB2 TYR 18 65.792 3.303 4.995
120 2HB TYR 18 HB1 TYR 18 64.616 4.538 4.600
121 HD1 TYR 18 HD1 TYR 18 65.041 5.179 2.423
122 HD2 TYR 18 HD2 TYR 18 68.315 4.746 5.033
123 HE1 TYR 18 HE1 TYR 18 66.522 6.138 0.715
124 HE2 TYR 18 HE2 TYR 18 69.826 5.667 3.354
125 HH TYR 18 HH TYR 18 69.827 5.877 0.814
126 H SER 19 HN SER 19 65.095 2.792 7.357
127 HA SER 19 HA SER 19 62.427 3.085 7.841
128 1HB SER 19 HB2 SER 19 64.084 1.059 8.162
129 2HB SER 19 HB1 SER 19 64.040 1.581 9.844
130 HG SER 19 HG SER 19 61.746 1.009 8.275
131 H GLU 20 HN GLU 20 64.837 4.853 9.393
132 HA GLU 20 HA GLU 20 63.276 5.264 11.812
133 1HB GLU 20 HB2 GLU 20 66.052 5.374 11.200
134 2HB GLU 20 HB1 GLU 20 65.552 6.982 11.721
135 1HG GLU 20 HG2 GLU 20 65.020 6.296 13.813
136 2HG GLU 20 HG1 GLU 20 64.615 4.660 13.286
137 H SER 21 HN SER 21 62.285 6.074 9.300
138 HA SER 21 HA SER 21 61.098 7.783 8.372
139 1HB SER 21 HB2 SER 21 61.624 8.849 11.125
140 2HB SER 21 HB1 SER 21 60.932 9.919 9.907
141 HG SER 21 HG SER 21 59.874 7.383 10.618
142 H GLY 22 HN GLY 22 63.995 7.492 7.997
143 1HA GLY 22 HA2 GLY 22 65.149 10.067 7.853
144 2HA GLY 22 HA1 GLY 22 65.810 8.598 7.157
145 H ARG 23 HN ARG 23 65.458 8.143 5.070
146 HA ARG 23 HA ARG 23 64.307 10.284 3.442
147 1HB ARG 23 HB2 ARG 23 66.711 9.534 3.136
148 2HB ARG 23 HB1 ARG 23 66.056 8.041 2.509
149 1HG ARG 23 HG2 ARG 23 65.048 10.505 1.258
150 2HG ARG 23 HG1 ARG 23 66.740 10.104 0.962
151 1HD ARG 23 HD2 ARG 23 66.194 8.044 -0.043
152 2HD ARG 23 HD1 ARG 23 64.559 8.066 0.612
153 HE ARG 23 HE ARG 23 65.392 9.175 -1.843
154 1HH1 ARG 23 1HH1 ARG 23 63.281 9.810 0.860
155 2HH1 ARG 23 2HH1 ARG 23 62.183 10.781 -0.061
156 1HH2 ARG 23 1HH2 ARG 23 63.949 10.454 -3.060
157 2HH2 ARG 23 2HH2 ARG 23 62.562 11.145 -2.290
158 H CYS 24 HN CYS 24 64.669 6.823 3.330
159 HA CYS 24 HA CYS 24 63.368 5.154 2.482
160 1HB CYS 24 HB2 CYS 24 61.354 7.048 3.534
161 2HB CYS 24 HB1 CYS 24 60.775 5.785 2.459
162 H ARG 25 HN ARG 25 64.363 5.521 0.447
163 HA ARG 25 HA ARG 25 63.614 7.278 -1.513
164 1HB ARG 25 HB2 ARG 25 65.618 5.961 -1.683
165 2HB ARG 25 HB1 ARG 25 64.694 4.482 -1.751
166 1HG ARG 25 HG2 ARG 25 65.312 4.801 -3.951
167 2HG ARG 25 HG1 ARG 25 63.677 5.474 -3.911
168 1HD ARG 25 HD2 ARG 25 65.699 7.437 -3.211
169 2HD ARG 25 HD1 ARG 25 65.972 6.743 -4.808
170 HE ARG 25 HE ARG 25 63.266 7.434 -4.574
171 1HH1 ARG 25 1HH1 ARG 25 66.401 8.946 -4.791
172 2HH1 ARG 25 2HH1 ARG 25 65.795 10.381 -5.547
173 1HH2 ARG 25 1HH2 ARG 25 62.465 9.319 -5.563
174 2HH2 ARG 25 2HH2 ARG 25 63.558 10.596 -5.981
175 H TYR 26 HN TYR 26 61.817 4.643 -0.373
176 HA TYR 26 HA TYR 26 59.730 5.107 -2.369
177 1HB TYR 26 HB2 TYR 26 60.711 2.380 -1.490
178 2HB TYR 26 HB1 TYR 26 59.267 2.663 -2.448
179 HD1 TYR 26 HD1 TYR 26 60.178 4.645 -4.392
180 HD2 TYR 26 HD2 TYR 26 62.174 1.215 -2.874
181 HE1 TYR 26 HE1 TYR 26 61.479 4.489 -6.475
182 HE2 TYR 26 HE2 TYR 26 63.486 1.051 -4.944
183 HH TYR 26 HH TYR 26 63.447 1.742 -7.206
184 H GLY 27 HN GLY 27 59.829 6.207 0.155
185 1HA GLY 27 HA2 GLY 27 58.911 5.011 2.373
186 2HA GLY 27 HA1 GLY 27 58.282 6.562 1.847
187 H ALA 28 HN ALA 28 57.315 3.824 3.050
188 HA ALA 28 HA ALA 28 55.289 2.848 3.284
189 1HB ALA 28 HB1 ALA 28 54.570 5.139 1.580
190 2HB ALA 28 HB2 ALA 28 53.863 4.580 3.092
191 3HB ALA 28 HB3 ALA 28 53.448 3.779 1.577
192 H LYS 29 HN LYS 29 56.751 3.102 0.198
193 HA LYS 29 HA LYS 29 55.560 0.591 -0.616
194 1HB LYS 29 HB2 LYS 29 55.093 2.771 -1.923
195 2HB LYS 29 HB1 LYS 29 56.742 2.572 -2.503
196 1HG LYS 29 HG2 LYS 29 56.245 0.629 -3.640
197 2HG LYS 29 HG1 LYS 29 54.790 0.346 -2.683
198 1HD LYS 29 HD2 LYS 29 54.450 1.163 -5.070
199 2HD LYS 29 HD1 LYS 29 53.598 2.034 -3.794
200 1HE LYS 29 HE2 LYS 29 54.742 3.929 -4.158
201 2HE LYS 29 HE1 LYS 29 56.273 3.075 -4.345
202 1HZ LYS 29 HZ1 LYS 29 54.357 3.916 -6.363
203 2HZ LYS 29 HZ2 LYS 29 55.047 2.389 -6.604
204 3HZ LYS 29 HZ3 LYS 29 56.036 3.754 -6.465
205 H CYS 30 HN CYS 30 58.137 1.517 0.861
206 HA CYS 30 HA CYS 30 60.186 0.710 -0.990
207 1HB CYS 30 HB2 CYS 30 61.761 1.170 0.808
208 2HB CYS 30 HB1 CYS 30 60.658 2.525 0.515
209 H GLN 31 HN GLN 31 60.661 -1.288 -1.377
210 HA GLN 31 HA GLN 31 60.639 -3.259 0.772
211 1HB GLN 31 HB2 GLN 31 60.909 -4.703 -1.521
212 2HB GLN 31 HB1 GLN 31 59.375 -4.387 -0.716
213 1HG GLN 31 HG2 GLN 31 59.006 -3.921 -2.970
214 2HG GLN 31 HG1 GLN 31 59.192 -2.347 -2.202
215 1HE2 GLN 31 1HE2 GLN 31 60.229 -4.388 -4.642
216 2HE2 GLN 31 2HE2 GLN 31 61.611 -3.484 -5.172
217 H PHE 32 HN PHE 32 62.426 -1.397 -1.408
218 HA PHE 32 HA PHE 32 64.940 -2.324 -0.405
219 1HB PHE 32 HB2 PHE 32 64.312 -2.666 -3.342
220 2HB PHE 32 HB1 PHE 32 65.891 -2.890 -2.605
221 HD1 PHE 32 HD1 PHE 32 62.547 -4.296 -3.023
222 HD2 PHE 32 HD2 PHE 32 66.406 -4.859 -1.331
223 HE1 PHE 32 HE1 PHE 32 62.046 -6.674 -2.682
224 HE2 PHE 32 HE2 PHE 32 65.909 -7.245 -0.991
225 HZ PHE 32 HZ PHE 32 63.724 -8.150 -1.685
226 H ALA 33 HN ALA 33 66.524 -1.218 -2.479
227 HA ALA 33 HA ALA 33 67.513 0.782 -2.951
228 1HB ALA 33 HB1 ALA 33 66.430 1.815 -4.633
229 2HB ALA 33 HB2 ALA 33 64.945 2.012 -3.703
230 3HB ALA 33 HB3 ALA 33 65.312 0.461 -4.461
231 H HIS 34 HN HIS 34 68.227 1.706 -1.112
232 HA HIS 34 HA HIS 34 66.891 4.054 -0.145
233 1HB HIS 34 HB2 HIS 34 66.913 1.555 1.505
234 2HB HIS 34 HB1 HIS 34 67.195 3.098 2.306
235 HD1 HIS 34 HD1 HIS 34 64.552 3.372 -0.312
236 HD2 HIS 34 HD2 HIS 34 64.976 2.493 3.686
237 HE1 HIS 34 HE1 HIS 34 62.256 3.683 0.773
238 H GLY 35 HN GLY 35 68.765 2.639 2.327
239 1HA GLY 35 HA2 GLY 35 70.898 4.488 2.004
240 2HA GLY 35 HA1 GLY 35 70.760 3.214 3.232
241 H LEU 36 HN LEU 36 72.509 2.015 3.182
242 HA LEU 36 HA LEU 36 74.248 1.701 1.013
243 1HB LEU 36 HB2 LEU 36 74.987 1.338 3.272
244 2HB LEU 36 HB1 LEU 36 73.817 0.054 3.505
245 HG LEU 36 HG LEU 36 75.303 -0.810 1.348
246 1HD1 LEU 36 1HD1 LEU 36 77.568 -0.487 1.754
247 2HD1 LEU 36 2HD1 LEU 36 77.286 0.103 3.391
248 3HD1 LEU 36 3HD1 LEU 36 76.869 1.112 2.006
249 1HD2 LEU 36 1HD2 LEU 36 75.913 -2.578 2.745
250 2HD2 LEU 36 2HD2 LEU 36 74.412 -1.982 3.457
251 3HD2 LEU 36 3HD2 LEU 36 75.965 -1.547 4.176
252 H GLY 37 HN GLY 37 72.429 -0.983 2.487
253 1HA GLY 37 HA2 GLY 37 71.461 -2.840 1.563
254 2HA GLY 37 HA1 GLY 37 70.910 -1.733 0.329
255 H GLU 38 HN GLU 38 74.272 -2.041 0.658
256 HA GLU 38 HA GLU 38 74.397 -3.442 -1.901
257 1HB GLU 38 HB2 GLU 38 76.730 -2.319 -0.354
258 2HB GLU 38 HB1 GLU 38 76.638 -2.667 -2.076
259 1HG GLU 38 HG2 GLU 38 74.737 -0.862 -2.016
260 2HG GLU 38 HG1 GLU 38 75.561 -0.356 -0.543
261 H LEU 39 HN LEU 39 73.519 -5.041 0.177
262 HA LEU 39 HA LEU 39 75.772 -6.531 1.206
263 1HB LEU 39 HB2 LEU 39 72.836 -7.162 1.395
264 2HB LEU 39 HB1 LEU 39 74.123 -7.920 2.318
265 HG LEU 39 HG LEU 39 73.875 -4.981 2.512
266 1HD1 LEU 39 1HD1 LEU 39 71.943 -4.897 3.687
267 2HD1 LEU 39 2HD1 LEU 39 72.156 -6.511 4.361
268 3HD1 LEU 39 3HD1 LEU 39 71.557 -6.316 2.714
269 1HD2 LEU 39 1HD2 LEU 39 75.632 -6.272 3.673
270 2HD2 LEU 39 2HD2 LEU 39 74.377 -7.124 4.571
271 3HD2 LEU 39 3HD2 LEU 39 74.586 -5.385 4.780
272 H ARG 40 HN ARG 40 73.724 -6.639 -1.508
273 HA ARG 40 HA ARG 40 74.766 -9.296 -2.227
274 1HB ARG 40 HB2 ARG 40 72.510 -8.784 -3.836
275 2HB ARG 40 HB1 ARG 40 72.668 -9.982 -2.561
276 1HG ARG 40 HG2 ARG 40 71.981 -7.180 -1.827
277 2HG ARG 40 HG1 ARG 40 70.738 -8.224 -2.520
278 1HD ARG 40 HD2 ARG 40 71.499 -9.932 -0.743
279 2HD ARG 40 HD1 ARG 40 72.264 -8.551 0.040
280 HE ARG 40 HE ARG 40 69.572 -7.948 -0.552
281 1HH1 ARG 40 1HH1 ARG 40 71.508 -9.884 1.613
282 2HH1 ARG 40 2HH1 ARG 40 70.331 -9.870 2.882
283 1HH2 ARG 40 1HH2 ARG 40 68.023 -7.923 1.119
284 2HH2 ARG 40 2HH2 ARG 40 68.349 -8.758 2.601
285 H GLN 41 HN GLN 41 76.124 -6.874 -2.666
286 HA GLN 41 HA GLN 41 76.393 -6.992 -5.516
287 1HB GLN 41 HB2 GLN 41 75.804 -4.429 -4.041
288 2HB GLN 41 HB1 GLN 41 76.386 -4.498 -5.702
289 1HG GLN 41 HG2 GLN 41 74.267 -6.146 -5.871
290 2HG GLN 41 HG1 GLN 41 73.717 -5.060 -4.598
291 1HE2 GLN 41 1HE2 GLN 41 73.449 -5.561 -7.744
292 2HE2 GLN 41 2HE2 GLN 41 73.296 -3.941 -8.330
293 H ALA 42 HN ALA 42 77.650 -6.245 -2.388
294 HA ALA 42 HA ALA 42 79.779 -6.098 -1.604
295 1HB ALA 42 HB1 ALA 42 81.598 -6.957 -2.898
296 2HB ALA 42 HB2 ALA 42 80.685 -6.781 -4.395
297 3HB ALA 42 HB3 ALA 42 80.189 -7.974 -3.194
298 H ASN 43 HN ASN 43 80.763 -4.264 -1.100
299 HA ASN 43 HA ASN 43 80.490 -1.938 -2.717
300 1HB ASN 43 HB2 ASN 43 81.356 -2.576 -0.029
301 2HB ASN 43 HB1 ASN 43 82.440 -1.405 -0.772
302 1HD2 ASN 43 1HD2 ASN 43 80.797 -0.853 1.421
303 2HD2 ASN 43 2HD2 ASN 43 79.626 0.324 0.946
Start of MODEL 23
1 H MET 4 HT1 MET 4 71.914 -20.089 -3.816
2 HA MET 4 HA MET 4 71.478 -21.795 -6.119
3 1HB MET 4 HB2 MET 4 70.239 -21.692 -3.837
4 2HB MET 4 HB1 MET 4 69.491 -20.239 -4.486
5 1HG MET 4 HG2 MET 4 68.176 -21.384 -5.899
6 2HG MET 4 HG1 MET 4 69.418 -22.583 -6.255
7 1HE MET 4 HE1 MET 4 65.832 -22.583 -4.724
8 2HE MET 4 HE2 MET 4 66.081 -24.311 -4.979
9 3HE MET 4 HE3 MET 4 66.592 -23.157 -6.211
10 H THR 5 HN THR 5 70.089 -21.050 -7.841
11 HA THR 5 HA THR 5 70.937 -18.587 -8.946
12 HB THR 5 HB THR 5 68.462 -19.939 -9.931
13 HG1 THR 5 HG1 THR 5 71.062 -21.002 -10.291
14 1HG2 THR 5 1HG2 THR 5 70.306 -18.098 -10.993
15 2HG2 THR 5 2HG2 THR 5 68.917 -18.840 -11.784
16 3HG2 THR 5 3HG2 THR 5 70.500 -19.609 -11.884
17 H THR 6 HN THR 6 69.461 -16.842 -9.670
18 HA THR 6 HA THR 6 67.526 -16.221 -7.536
19 HB THR 6 HB THR 6 67.836 -13.835 -8.443
20 HG1 THR 6 HG1 THR 6 68.870 -14.246 -10.355
21 1HG2 THR 6 1HG2 THR 6 69.338 -13.415 -6.846
22 2HG2 THR 6 2HG2 THR 6 70.489 -14.592 -7.475
23 3HG2 THR 6 3HG2 THR 6 69.150 -15.126 -6.459
24 H SER 7 HN SER 7 67.920 -16.582 -10.978
25 HA SER 7 HA SER 7 66.414 -16.751 -12.672
26 1HB SER 7 HB2 SER 7 64.675 -17.061 -10.284
27 2HB SER 7 HB1 SER 7 63.874 -16.648 -11.797
28 HG SER 7 HG SER 7 64.861 -18.478 -12.736
29 H SER 8 HN SER 8 64.864 -14.570 -10.312
30 HA SER 8 HA SER 8 65.406 -12.231 -11.816
31 1HB SER 8 HB2 SER 8 62.950 -11.735 -12.321
32 2HB SER 8 HB1 SER 8 63.738 -12.923 -13.358
33 HG SER 8 HG SER 8 61.946 -13.962 -12.801
34 H ARG 9 HN ARG 9 65.822 -12.924 -9.196
35 HA ARG 9 HA ARG 9 63.858 -12.241 -7.346
36 1HB ARG 9 HB2 ARG 9 66.576 -12.918 -7.277
37 2HB ARG 9 HB1 ARG 9 66.486 -11.347 -6.496
38 1HG ARG 9 HG2 ARG 9 64.375 -13.030 -5.529
39 2HG ARG 9 HG1 ARG 9 65.923 -13.862 -5.389
40 1HD ARG 9 HD2 ARG 9 66.504 -11.311 -4.527
41 2HD ARG 9 HD1 ARG 9 64.879 -11.582 -3.899
42 HE ARG 9 HE ARG 9 67.309 -12.885 -3.062
43 1HH1 ARG 9 1HH1 ARG 9 63.824 -13.089 -3.163
44 2HH1 ARG 9 2HH1 ARG 9 63.722 -14.161 -1.807
45 1HH2 ARG 9 1HH2 ARG 9 67.177 -14.296 -1.280
46 2HH2 ARG 9 2HH2 ARG 9 65.626 -14.845 -0.739
47 H TYR 10 HN TYR 10 64.272 -10.273 -5.798
48 HA TYR 10 HA TYR 10 63.713 -7.922 -7.356
49 1HB TYR 10 HB2 TYR 10 63.516 -8.789 -4.539
50 2HB TYR 10 HB1 TYR 10 63.732 -7.071 -4.804
51 HD1 TYR 10 HD1 TYR 10 61.716 -5.926 -4.644
52 HD2 TYR 10 HD2 TYR 10 61.809 -9.750 -6.497
53 HE1 TYR 10 HE1 TYR 10 59.315 -5.731 -5.138
54 HE2 TYR 10 HE2 TYR 10 59.403 -9.567 -7.005
55 HH TYR 10 HH TYR 10 57.736 -6.897 -7.085
56 H LYS 11 HN LYS 11 64.779 -5.949 -5.702
57 HA LYS 11 HA LYS 11 67.327 -5.669 -6.816
58 1HB LYS 11 HB2 LYS 11 66.284 -3.994 -4.553
59 2HB LYS 11 HB1 LYS 11 67.351 -3.521 -5.870
60 1HG LYS 11 HG2 LYS 11 65.300 -4.126 -7.370
61 2HG LYS 11 HG1 LYS 11 64.392 -3.893 -5.866
62 1HD LYS 11 HD2 LYS 11 64.585 -1.672 -5.995
63 2HD LYS 11 HD1 LYS 11 66.316 -1.767 -6.318
64 1HE LYS 11 HE2 LYS 11 65.868 -1.079 -8.386
65 2HE LYS 11 HE1 LYS 11 65.117 -2.648 -8.667
66 1HZ LYS 11 HZ1 LYS 11 63.852 -0.070 -8.043
67 2HZ LYS 11 HZ2 LYS 11 63.071 -1.500 -7.590
68 3HZ LYS 11 HZ3 LYS 11 63.433 -1.213 -9.217
69 H THR 12 HN THR 12 68.868 -4.490 -4.922
70 HA THR 12 HA THR 12 69.513 -6.725 -3.109
71 HB THR 12 HB THR 12 71.246 -6.720 -4.664
72 HG1 THR 12 HG1 THR 12 72.692 -6.566 -3.172
73 1HG2 THR 12 1HG2 THR 12 71.280 -3.713 -4.555
74 2HG2 THR 12 2HG2 THR 12 70.699 -4.708 -5.890
75 3HG2 THR 12 3HG2 THR 12 72.408 -4.717 -5.460
76 H GLU 13 HN GLU 13 68.608 -3.474 -3.171
77 HA GLU 13 HA GLU 13 70.124 -2.662 -0.913
78 1HB GLU 13 HB2 GLU 13 68.407 -1.412 -2.859
79 2HB GLU 13 HB1 GLU 13 68.102 -0.828 -1.235
80 1HG GLU 13 HG2 GLU 13 70.087 0.215 -1.074
81 2HG GLU 13 HG1 GLU 13 70.930 -1.018 -2.011
82 H LEU 14 HN LEU 14 68.551 -1.292 0.759
83 HA LEU 14 HA LEU 14 66.213 -2.676 1.585
84 1HB LEU 14 HB2 LEU 14 67.359 -3.259 3.870
85 2HB LEU 14 HB1 LEU 14 67.398 -4.383 2.525
86 HG LEU 14 HG LEU 14 69.550 -4.018 3.874
87 1HD1 LEU 14 1HD1 LEU 14 70.224 -3.498 1.062
88 2HD1 LEU 14 2HD1 LEU 14 69.143 -4.857 1.350
89 3HD1 LEU 14 3HD1 LEU 14 70.723 -4.806 2.128
90 1HD2 LEU 14 1HD2 LEU 14 69.205 -1.491 3.737
91 2HD2 LEU 14 2HD2 LEU 14 69.882 -1.625 2.118
92 3HD2 LEU 14 3HD2 LEU 14 70.834 -2.125 3.515
93 H CYS 15 HN CYS 15 65.226 -1.747 3.450
94 HA CYS 15 HA CYS 15 65.673 1.034 3.723
95 1HB CYS 15 HB2 CYS 15 63.427 -0.178 3.825
96 2HB CYS 15 HB1 CYS 15 63.885 -0.732 5.430
97 H ARG 16 HN ARG 16 67.903 1.082 4.564
98 HA ARG 16 HA ARG 16 68.540 -0.236 6.991
99 1HB ARG 16 HB2 ARG 16 69.941 1.558 5.054
100 2HB ARG 16 HB1 ARG 16 70.556 1.504 6.703
101 1HG ARG 16 HG2 ARG 16 70.465 -1.062 6.415
102 2HG ARG 16 HG1 ARG 16 70.411 -0.678 4.700
103 1HD ARG 16 HD2 ARG 16 72.642 -0.714 4.842
104 2HD ARG 16 HD1 ARG 16 72.450 0.905 5.510
105 HE ARG 16 HE ARG 16 72.420 -0.293 7.746
106 1HH1 ARG 16 1HH1 ARG 16 74.183 -1.510 4.980
107 2HH1 ARG 16 2HH1 ARG 16 75.355 -2.339 5.943
108 1HH2 ARG 16 1HH2 ARG 16 73.963 -1.387 8.999
109 2HH2 ARG 16 2HH2 ARG 16 75.232 -2.274 8.221
110 H THR 17 HN THR 17 69.589 3.047 6.819
111 HA THR 17 HA THR 17 68.622 3.637 9.410
112 HB THR 17 HB THR 17 70.716 4.589 8.561
113 HG1 THR 17 HG1 THR 17 70.279 6.776 9.166
114 1HG2 THR 17 1HG2 THR 17 68.957 5.708 6.470
115 2HG2 THR 17 2HG2 THR 17 70.619 5.129 6.371
116 3HG2 THR 17 3HG2 THR 17 70.277 6.715 7.062
117 H TYR 18 HN TYR 18 67.418 3.902 6.280
118 HA TYR 18 HA TYR 18 65.722 6.058 6.256
119 1HB TYR 18 HB2 TYR 18 65.730 3.324 5.016
120 2HB TYR 18 HB1 TYR 18 64.469 4.482 4.643
121 HD1 TYR 18 HD1 TYR 18 64.816 5.232 2.511
122 HD2 TYR 18 HD2 TYR 18 68.157 4.878 5.044
123 HE1 TYR 18 HE1 TYR 18 66.202 6.337 0.814
124 HE2 TYR 18 HE2 TYR 18 69.582 5.941 3.374
125 HH TYR 18 HH TYR 18 69.406 6.171 0.693
126 H SER 19 HN SER 19 65.085 2.701 7.266
127 HA SER 19 HA SER 19 62.430 2.733 7.780
128 1HB SER 19 HB2 SER 19 63.763 0.718 8.013
129 2HB SER 19 HB1 SER 19 64.571 1.389 9.429
130 HG SER 19 HG SER 19 62.748 1.160 10.597
131 H GLU 20 HN GLU 20 64.866 4.307 9.618
132 HA GLU 20 HA GLU 20 63.256 4.748 11.947
133 1HB GLU 20 HB2 GLU 20 65.960 4.987 11.325
134 2HB GLU 20 HB1 GLU 20 65.430 6.644 11.603
135 1HG GLU 20 HG2 GLU 20 64.299 5.599 13.709
136 2HG GLU 20 HG1 GLU 20 65.510 4.336 13.470
137 H SER 21 HN SER 21 63.916 6.436 9.003
138 HA SER 21 HA SER 21 61.894 7.865 8.356
139 1HB SER 21 HB2 SER 21 61.219 8.669 10.472
140 2HB SER 21 HB1 SER 21 62.857 9.168 10.900
141 HG SER 21 HG SER 21 61.076 10.733 10.005
142 H GLY 22 HN GLY 22 65.126 7.584 8.466
143 1HA GLY 22 HA2 GLY 22 66.320 9.937 7.851
144 2HA GLY 22 HA1 GLY 22 66.796 8.413 7.127
145 H ARG 23 HN ARG 23 64.417 8.036 5.629
146 HA ARG 23 HA ARG 23 63.871 10.255 3.955
147 1HB ARG 23 HB2 ARG 23 66.225 9.777 3.354
148 2HB ARG 23 HB1 ARG 23 65.715 8.200 2.809
149 1HG ARG 23 HG2 ARG 23 64.066 10.103 1.528
150 2HG ARG 23 HG1 ARG 23 65.743 10.631 1.364
151 1HD ARG 23 HD2 ARG 23 66.350 8.421 0.484
152 2HD ARG 23 HD1 ARG 23 64.683 7.888 0.654
153 HE ARG 23 HE ARG 23 64.072 9.268 -1.150
154 1HH1 ARG 23 1HH1 ARG 23 67.503 9.414 -0.496
155 2HH1 ARG 23 2HH1 ARG 23 67.895 10.045 -2.058
156 1HH2 ARG 23 1HH2 ARG 23 64.594 10.095 -3.199
157 2HH2 ARG 23 2HH2 ARG 23 66.247 10.434 -3.591
158 H CYS 24 HN CYS 24 64.461 6.876 3.458
159 HA CYS 24 HA CYS 24 63.172 5.151 2.717
160 1HB CYS 24 HB2 CYS 24 61.156 6.916 3.933
161 2HB CYS 24 HB1 CYS 24 60.555 5.737 2.785
162 H ARG 25 HN ARG 25 64.081 5.638 0.646
163 HA ARG 25 HA ARG 25 63.175 7.405 -1.243
164 1HB ARG 25 HB2 ARG 25 65.209 6.148 -1.546
165 2HB ARG 25 HB1 ARG 25 64.321 4.643 -1.582
166 1HG ARG 25 HG2 ARG 25 64.676 4.899 -3.800
167 2HG ARG 25 HG1 ARG 25 63.158 5.795 -3.665
168 1HD ARG 25 HD2 ARG 25 65.379 7.518 -3.076
169 2HD ARG 25 HD1 ARG 25 65.630 6.715 -4.625
170 HE ARG 25 HE ARG 25 63.064 8.026 -4.116
171 1HH1 ARG 25 1HH1 ARG 25 66.111 7.959 -5.835
172 2HH1 ARG 25 2HH1 ARG 25 65.594 9.089 -7.039
173 1HH2 ARG 25 1HH2 ARG 25 62.392 9.514 -5.698
174 2HH2 ARG 25 2HH2 ARG 25 63.486 9.972 -6.961
175 H TYR 26 HN TYR 26 61.602 4.638 -0.113
176 HA TYR 26 HA TYR 26 59.320 5.086 -1.872
177 1HB TYR 26 HB2 TYR 26 60.523 2.367 -1.282
178 2HB TYR 26 HB1 TYR 26 59.009 2.625 -2.135
179 HD1 TYR 26 HD1 TYR 26 59.785 4.789 -4.013
180 HD2 TYR 26 HD2 TYR 26 61.904 1.312 -2.783
181 HE1 TYR 26 HE1 TYR 26 61.010 4.782 -6.144
182 HE2 TYR 26 HE2 TYR 26 63.137 1.296 -4.906
183 HH TYR 26 HH TYR 26 62.692 2.194 -7.295
184 H GLY 27 HN GLY 27 59.396 6.147 0.497
185 1HA GLY 27 HA2 GLY 27 59.063 4.983 2.865
186 2HA GLY 27 HA1 GLY 27 58.027 6.300 2.373
187 H ALA 28 HN ALA 28 56.536 4.730 0.383
188 HA ALA 28 HA ALA 28 55.011 3.091 2.286
189 1HB ALA 28 HB1 ALA 28 53.795 3.953 -0.273
190 2HB ALA 28 HB2 ALA 28 54.063 5.180 0.967
191 3HB ALA 28 HB3 ALA 28 53.067 3.767 1.321
192 H LYS 29 HN LYS 29 56.843 2.930 -0.560
193 HA LYS 29 HA LYS 29 55.966 0.216 -1.061
194 1HB LYS 29 HB2 LYS 29 55.461 2.146 -2.722
195 2HB LYS 29 HB1 LYS 29 57.137 1.914 -3.187
196 1HG LYS 29 HG2 LYS 29 56.625 0.153 -4.373
197 2HG LYS 29 HG1 LYS 29 55.835 -0.597 -2.992
198 1HD LYS 29 HD2 LYS 29 54.494 1.490 -4.687
199 2HD LYS 29 HD1 LYS 29 54.381 -0.236 -5.039
200 1HE LYS 29 HE2 LYS 29 53.583 -0.488 -2.626
201 2HE LYS 29 HE1 LYS 29 53.376 1.263 -2.638
202 1HZ LYS 29 HZ1 LYS 29 51.358 -0.088 -3.210
203 2HZ LYS 29 HZ2 LYS 29 52.127 -0.508 -4.657
204 3HZ LYS 29 HZ3 LYS 29 51.765 1.112 -4.329
205 H CYS 30 HN CYS 30 58.204 1.235 0.614
206 HA CYS 30 HA CYS 30 60.523 0.629 -0.999
207 1HB CYS 30 HB2 CYS 30 61.890 1.161 0.899
208 2HB CYS 30 HB1 CYS 30 60.698 2.431 0.597
209 H GLN 31 HN GLN 31 61.245 -1.258 -1.339
210 HA GLN 31 HA GLN 31 61.052 -3.327 0.699
211 1HB GLN 31 HB2 GLN 31 61.357 -4.692 -1.605
212 2HB GLN 31 HB1 GLN 31 59.804 -4.320 -0.881
213 1HG GLN 31 HG2 GLN 31 59.636 -3.809 -3.179
214 2HG GLN 31 HG1 GLN 31 59.721 -2.278 -2.312
215 1HE2 GLN 31 1HE2 GLN 31 60.898 -4.017 -4.866
216 2HE2 GLN 31 2HE2 GLN 31 62.345 -3.112 -5.184
217 H PHE 32 HN PHE 32 63.028 -1.370 -1.208
218 HA PHE 32 HA PHE 32 65.408 -2.677 -0.236
219 1HB PHE 32 HB2 PHE 32 64.817 -2.583 -3.189
220 2HB PHE 32 HB1 PHE 32 66.405 -2.922 -2.517
221 HD1 PHE 32 HD1 PHE 32 63.034 -4.177 -3.040
222 HD2 PHE 32 HD2 PHE 32 66.875 -5.036 -1.451
223 HE1 PHE 32 HE1 PHE 32 62.449 -6.560 -2.949
224 HE2 PHE 32 HE2 PHE 32 66.303 -7.432 -1.355
225 HZ PHE 32 HZ PHE 32 64.081 -8.189 -2.116
226 H ALA 33 HN ALA 33 65.244 -0.761 -3.179
227 HA ALA 33 HA ALA 33 67.271 0.912 -2.883
228 1HB ALA 33 HB1 ALA 33 65.091 0.854 -4.532
229 2HB ALA 33 HB2 ALA 33 66.444 1.979 -4.649
230 3HB ALA 33 HB3 ALA 33 64.975 2.451 -3.790
231 H HIS 34 HN HIS 34 67.995 1.976 -1.190
232 HA HIS 34 HA HIS 34 66.581 4.230 -0.135
233 1HB HIS 34 HB2 HIS 34 66.795 1.725 1.479
234 2HB HIS 34 HB1 HIS 34 67.043 3.273 2.288
235 HD1 HIS 34 HD1 HIS 34 64.322 3.527 -0.218
236 HD2 HIS 34 HD2 HIS 34 64.883 2.492 3.726
237 HE1 HIS 34 HE1 HIS 34 62.056 3.739 0.945
238 H GLY 35 HN GLY 35 68.634 2.941 2.248
239 1HA GLY 35 HA2 GLY 35 70.546 4.937 2.085
240 2HA GLY 35 HA1 GLY 35 70.709 3.418 2.990
241 H LEU 36 HN LEU 36 72.009 1.856 2.215
242 HA LEU 36 HA LEU 36 73.379 2.356 -0.332
243 1HB LEU 36 HB2 LEU 36 75.001 0.671 1.087
244 2HB LEU 36 HB1 LEU 36 75.238 2.394 0.905
245 HG LEU 36 HG LEU 36 73.554 2.300 3.042
246 1HD1 LEU 36 1HD1 LEU 36 73.677 -0.169 3.074
247 2HD1 LEU 36 2HD1 LEU 36 74.303 0.571 4.548
248 3HD1 LEU 36 3HD1 LEU 36 75.417 -0.048 3.330
249 1HD2 LEU 36 1HD2 LEU 36 76.108 2.152 4.148
250 2HD2 LEU 36 2HD2 LEU 36 75.232 3.606 3.670
251 3HD2 LEU 36 3HD2 LEU 36 76.337 2.828 2.536
252 H GLY 37 HN GLY 37 72.137 -0.056 1.906
253 1HA GLY 37 HA2 GLY 37 71.712 -2.307 1.651
254 2HA GLY 37 HA1 GLY 37 70.798 -1.697 0.301
255 H GLU 38 HN GLU 38 74.002 -2.701 1.220
256 HA GLU 38 HA GLU 38 74.339 -3.852 -1.468
257 1HB GLU 38 HB2 GLU 38 76.554 -2.874 0.350
258 2HB GLU 38 HB1 GLU 38 76.731 -3.466 -1.297
259 1HG GLU 38 HG2 GLU 38 74.947 -1.428 -1.621
260 2HG GLU 38 HG1 GLU 38 75.971 -0.822 -0.319
261 H LEU 39 HN LEU 39 73.050 -5.225 0.572
262 HA LEU 39 HA LEU 39 74.833 -6.932 2.003
263 1HB LEU 39 HB2 LEU 39 71.899 -7.154 1.389
264 2HB LEU 39 HB1 LEU 39 72.763 -8.335 2.360
265 HG LEU 39 HG LEU 39 72.743 -5.425 3.040
266 1HD1 LEU 39 1HD1 LEU 39 70.434 -6.756 2.913
267 2HD1 LEU 39 2HD1 LEU 39 70.772 -5.574 4.177
268 3HD1 LEU 39 3HD1 LEU 39 70.969 -7.296 4.505
269 1HD2 LEU 39 1HD2 LEU 39 73.270 -6.278 5.293
270 2HD2 LEU 39 2HD2 LEU 39 74.479 -6.743 4.095
271 3HD2 LEU 39 3HD2 LEU 39 73.285 -7.919 4.644
272 H ARG 40 HN ARG 40 73.288 -7.024 -1.047
273 HA ARG 40 HA ARG 40 74.564 -9.604 -1.656
274 1HB ARG 40 HB2 ARG 40 72.639 -9.477 -3.554
275 2HB ARG 40 HB1 ARG 40 72.454 -10.313 -2.022
276 1HG ARG 40 HG2 ARG 40 71.750 -7.520 -1.776
277 2HG ARG 40 HG1 ARG 40 70.833 -8.313 -3.056
278 1HD ARG 40 HD2 ARG 40 69.865 -9.832 -1.602
279 2HD ARG 40 HD1 ARG 40 71.135 -9.639 -0.396
280 HE ARG 40 HE ARG 40 69.452 -7.322 -0.881
281 1HH1 ARG 40 1HH1 ARG 40 70.116 -10.115 1.118
282 2HH1 ARG 40 2HH1 ARG 40 69.201 -9.521 2.461
283 1HH2 ARG 40 1HH2 ARG 40 68.247 -6.553 0.889
284 2HH2 ARG 40 2HH2 ARG 40 68.143 -7.502 2.334
285 H GLN 41 HN GLN 41 76.024 -7.338 -1.925
286 HA GLN 41 HA GLN 41 76.444 -7.267 -4.767
287 1HB GLN 41 HB2 GLN 41 75.947 -4.818 -3.096
288 2HB GLN 41 HB1 GLN 41 76.725 -4.754 -4.671
289 1HG GLN 41 HG2 GLN 41 74.180 -6.210 -4.607
290 2HG GLN 41 HG1 GLN 41 74.068 -4.488 -4.249
291 1HE2 GLN 41 1HE2 GLN 41 75.692 -6.662 -6.537
292 2HE2 GLN 41 2HE2 GLN 41 75.431 -5.673 -7.929
293 H ALA 42 HN ALA 42 77.640 -7.100 -1.570
294 HA ALA 42 HA ALA 42 79.740 -7.202 -0.713
295 1HB ALA 42 HB1 ALA 42 81.598 -7.844 -2.152
296 2HB ALA 42 HB2 ALA 42 80.611 -7.543 -3.581
297 3HB ALA 42 HB3 ALA 42 80.180 -8.845 -2.470
298 H ASN 43 HN ASN 43 81.858 -6.009 -0.678
299 HA ASN 43 HA ASN 43 81.378 -3.230 -0.834
300 1HB ASN 43 HB2 ASN 43 83.770 -4.927 -0.224
301 2HB ASN 43 HB1 ASN 43 83.982 -3.197 -0.474
302 1HD2 ASN 43 1HD2 ASN 43 83.028 -1.746 0.974
303 2HD2 ASN 43 2HD2 ASN 43 82.516 -2.241 2.547