Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
648178 | 6o8r RC | 30587 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 HT1 ALA 1 51.290 11.103 11.375
2 H2 ALA 1 HT2 ALA 1 51.425 10.240 12.831
3 H3 ALA 1 HT3 ALA 1 50.095 9.982 11.805
4 HA ALA 1 HA ALA 1 52.735 8.885 11.732
5 HB1 ALA 1 HB1 ALA 1 50.809 7.461 11.992
6 HB2 ALA 1 HB2 ALA 1 51.484 7.175 10.367
7 HB3 ALA 1 HB3 ALA 1 50.024 8.178 10.562
8 H TRP 2 HN TRP 2 50.645 8.729 8.957
9 HA TRP 2 HA TRP 2 51.981 10.642 7.365
10 HB2 TRP 2 HB2 TRP 2 53.344 8.188 7.686
11 HB3 TRP 2 HB1 TRP 2 52.747 8.265 6.014
12 HD1 TRP 2 HD1 TRP 2 55.537 9.370 8.158
13 HE1 TRP 2 HE1 TRP 2 57.034 11.128 6.963
14 HE3 TRP 2 HE3 TRP 2 52.457 10.516 4.232
15 HZ2 TRP 2 HZ2 TRP 2 56.884 12.791 4.619
16 HZ3 TRP 2 HZ3 TRP 2 53.156 12.193 2.527
17 HH2 TRP 2 HH2 TRP 2 55.364 13.329 2.717
18 H LYS 3 HN LYS 3 49.283 10.201 7.875
19 HA LYS 3 HA LYS 3 47.310 9.603 6.715
20 HB2 LYS 3 HB2 LYS 3 49.164 9.834 4.373
21 HB3 LYS 3 HB1 LYS 3 47.601 9.009 4.183
22 HG2 LYS 3 HG2 LYS 3 47.486 11.429 3.618
23 HG3 LYS 3 HG1 LYS 3 46.429 11.003 4.985
24 HD2 LYS 3 HD2 LYS 3 48.000 11.883 6.588
25 HD3 LYS 3 HD1 LYS 3 49.260 12.064 5.343
26 HE2 LYS 3 HE2 LYS 3 48.029 14.213 5.989
27 HE3 LYS 3 HE1 LYS 3 48.054 13.833 4.249
28 HZ1 LYS 3 HZ1 LYS 3 45.854 13.065 4.327
29 HZ2 LYS 3 HZ2 LYS 3 45.838 14.493 5.247
30 HZ3 LYS 3 HZ3 LYS 3 45.832 12.981 6.022
31 H GLU 4 HN GLU 4 49.709 8.244 7.771
32 HA GLU 4 HA GLU 4 49.880 6.420 8.824
33 HB2 GLU 4 HB2 GLU 4 47.428 5.874 8.517
34 HB3 GLU 4 HB1 GLU 4 47.978 4.888 7.143
35 HG2 GLU 4 HG2 GLU 4 47.764 3.423 9.066
36 HG3 GLU 4 HG1 GLU 4 49.500 3.647 8.749
37 H LYS 5 HN LYS 5 51.771 7.328 7.563
38 HA LYS 5 HA LYS 5 53.679 6.342 6.423
39 HB2 LYS 5 HB2 LYS 5 52.753 4.063 7.736
40 HB3 LYS 5 HB1 LYS 5 52.504 3.597 6.039
41 HG2 LYS 5 HG2 LYS 5 54.927 4.384 5.632
42 HG3 LYS 5 HG1 LYS 5 55.102 4.415 7.400
43 HD2 LYS 5 HD2 LYS 5 54.274 1.995 5.732
44 HD3 LYS 5 HD1 LYS 5 55.874 2.251 6.464
45 HE2 LYS 5 HE2 LYS 5 53.221 1.757 7.861
46 HE3 LYS 5 HE1 LYS 5 54.730 0.828 7.992
47 HZ1 LYS 5 HZ1 LYS 5 55.692 3.029 8.867
48 HZ2 LYS 5 HZ2 LYS 5 54.715 2.105 9.904
49 HZ3 LYS 5 HZ3 LYS 5 54.077 3.476 9.131
50 H ILE 6 HN ILE 6 50.459 6.655 6.152
51 HA ILE 6 HA ILE 6 49.436 7.657 4.087
52 HB ILE 6 HB ILE 6 49.925 7.187 1.853
53 HG12 ILE 6 HG12 ILE 6 51.982 5.310 1.561
54 HG13 ILE 6 HG11 ILE 6 51.065 4.613 2.900
55 HG21 ILE 6 HG21 ILE 6 51.715 8.559 1.941
56 HG22 ILE 6 HG22 ILE 6 52.787 7.202 2.310
57 HG23 ILE 6 HG23 ILE 6 52.009 8.098 3.626
58 HD11 ILE 6 HD1 ILE 6 48.980 5.171 1.259
59 HD12 ILE 6 HD2 ILE 6 49.911 3.665 1.122
60 HD13 ILE 6 HD3 ILE 6 50.258 5.022 0.030
61 H ARG 7 HN ARG 7 47.484 7.318 4.310
62 HA ARG 7 HA ARG 7 45.934 5.523 2.926
63 HB2 ARG 7 HB2 ARG 7 47.303 3.970 5.080
64 HB3 ARG 7 HB1 ARG 7 45.562 3.722 4.995
65 HG2 ARG 7 HG2 ARG 7 45.625 2.776 2.854
66 HG3 ARG 7 HG1 ARG 7 47.142 3.580 2.409
67 HD2 ARG 7 HD2 ARG 7 48.449 2.078 3.741
68 HD3 ARG 7 HD1 ARG 7 47.011 1.466 4.593
69 HE ARG 7 HE ARG 7 46.640 0.004 2.774
70 HH11 ARG 7 HH11 ARG 7 46.272 0.414 0.353
71 HH12 ARG 7 HH12 ARG 7 47.738 0.709 -0.520
72 HH21 ARG 7 HH21 ARG 7 49.625 1.315 2.326
73 HH22 ARG 7 HH22 ARG 7 49.636 1.220 0.596
74 H LYS 8 HN LYS 8 46.165 7.915 5.013
75 HA LYS 8 HA LYS 8 43.662 7.230 6.410
76 HB2 LYS 8 HB2 LYS 8 45.520 8.504 7.600
77 HB3 LYS 8 HB1 LYS 8 45.067 9.899 6.581
78 HG2 LYS 8 HG2 LYS 8 42.792 9.860 7.465
79 HG3 LYS 8 HG1 LYS 8 43.146 8.388 8.402
80 HD2 LYS 8 HD2 LYS 8 44.753 9.563 9.781
81 HD3 LYS 8 HD1 LYS 8 44.657 11.010 8.749
82 HE2 LYS 8 HE2 LYS 8 42.340 9.845 10.355
83 HE3 LYS 8 HE1 LYS 8 43.307 11.262 10.830
84 HZ1 LYS 8 HZ1 LYS 8 41.621 12.289 9.731
85 HZ2 LYS 8 HZ2 LYS 8 41.323 10.980 8.689
86 HZ3 LYS 8 HZ3 LYS 8 42.642 12.012 8.406
87 H LYS 9 HN LYS 9 44.609 8.881 3.506
88 HA LYS 9 HA LYS 9 42.054 10.417 3.521
89 HB2 LYS 9 HB2 LYS 9 43.858 10.664 1.607
90 HB3 LYS 9 HB1 LYS 9 43.019 9.229 0.916
91 HG2 LYS 9 HG2 LYS 9 41.841 10.996 -0.087
92 HG3 LYS 9 HG1 LYS 9 40.835 10.688 1.343
93 HD2 LYS 9 HD2 LYS 9 41.948 12.541 2.546
94 HD3 LYS 9 HD1 LYS 9 43.011 12.822 1.147
95 HE2 LYS 9 HE2 LYS 9 41.089 14.401 1.178
96 HE3 LYS 9 HE1 LYS 9 41.057 13.349 -0.257
97 HZ1 LYS 9 HZ1 LYS 9 39.354 12.064 0.636
98 HZ2 LYS 9 HZ2 LYS 9 38.907 13.645 1.064
99 HZ3 LYS 9 HZ3 LYS 9 39.609 12.615 2.219
100 H LEU 10 HN LEU 10 43.140 7.235 3.372
101 HA LEU 10 HA LEU 10 41.031 5.650 3.963
102 HB2 LEU 10 HB2 LEU 10 39.625 6.809 2.246
103 HB3 LEU 10 HB1 LEU 10 40.921 6.472 1.033
104 HG LEU 10 HG LEU 10 40.409 3.999 1.362
105 HD11 LEU 10 HD11 LEU 10 38.490 5.098 3.438
106 HD12 LEU 10 HD12 LEU 10 39.682 3.785 3.601
107 HD13 LEU 10 HD13 LEU 10 38.198 3.523 2.661
108 HD21 LEU 10 HD21 LEU 10 37.764 5.434 0.924
109 HD22 LEU 10 HD22 LEU 10 38.371 3.964 0.127
110 HD23 LEU 10 HD23 LEU 10 39.080 5.547 -0.267
111 H LYS 11 HN LYS 11 42.617 6.533 1.127
112 HA LYS 11 HA LYS 11 44.333 4.272 0.859
113 HB2 LYS 11 HB2 LYS 11 43.167 5.940 -1.171
114 HB3 LYS 11 HB1 LYS 11 44.101 4.446 -1.501
115 HG2 LYS 11 HG2 LYS 11 42.158 3.329 -0.032
116 HG3 LYS 11 HG1 LYS 11 41.257 4.763 -0.583
117 HD2 LYS 11 HD2 LYS 11 41.835 4.193 -2.943
118 HD3 LYS 11 HD1 LYS 11 42.641 2.715 -2.362
119 HE2 LYS 11 HE2 LYS 11 39.714 3.401 -1.852
120 HE3 LYS 11 HE1 LYS 11 40.287 2.305 -3.131
121 HZ1 LYS 11 HZ1 LYS 11 39.747 0.953 -1.305
122 HZ2 LYS 11 HZ2 LYS 11 40.522 1.973 -0.190
123 HZ3 LYS 11 HZ3 LYS 11 41.439 1.054 -1.285
124 H ASN 12 HN ASN 12 43.640 6.868 1.407
125 HA ASN 12 HA ASN 12 45.040 8.932 1.877
126 HB2 ASN 12 HB2 ASN 12 47.097 7.433 2.261
127 HB3 ASN 12 HB1 ASN 12 47.393 7.619 0.542
128 HD21 ASN 12 HD21 ASN 12 45.939 10.449 1.101
129 HD22 ASN 12 HD22 ASN 12 47.327 11.426 1.591
130 H GLU 13 HN GLU 13 43.633 7.564 -0.280
131 HA GLU 13 HA GLU 13 43.054 7.981 -2.507
132 HB2 GLU 13 HB2 GLU 13 44.084 10.433 -1.901
133 HB3 GLU 13 HB1 GLU 13 45.426 9.830 -2.914
134 HG2 GLU 13 HG2 GLU 13 42.478 9.829 -3.789
135 HG3 GLU 13 HG1 GLU 13 43.607 11.143 -4.168
136 H ILE 14 HN ILE 14 44.900 5.963 -1.211
137 HA ILE 14 HA ILE 14 46.287 4.340 -2.151
138 HB ILE 14 HB ILE 14 46.993 6.049 -4.588
139 HG12 ILE 14 HG12 ILE 14 44.668 4.106 -4.155
140 HG13 ILE 14 HG11 ILE 14 44.567 5.781 -4.725
141 HG21 ILE 14 HG21 ILE 14 46.978 3.030 -4.236
142 HG22 ILE 14 HG22 ILE 14 48.393 4.029 -3.836
143 HG23 ILE 14 HG23 ILE 14 47.782 3.988 -5.501
144 HD11 ILE 14 HD1 ILE 14 46.021 5.008 -6.724
145 HD12 ILE 14 HD2 ILE 14 44.320 4.481 -6.693
146 HD13 ILE 14 HD3 ILE 14 45.610 3.353 -6.211
147 H LYS 15 HN LYS 15 47.130 7.846 -2.037
148 HA LYS 15 HA LYS 15 49.375 7.156 -0.326
149 HB2 LYS 15 HB2 LYS 15 50.182 6.525 -2.767
150 HB3 LYS 15 HB1 LYS 15 50.339 8.279 -2.920
151 HG2 LYS 15 HG2 LYS 15 52.214 8.377 -1.563
152 HG3 LYS 15 HG1 LYS 15 51.603 7.153 -0.435
153 HD2 LYS 15 HD2 LYS 15 52.257 5.350 -1.905
154 HD3 LYS 15 HD1 LYS 15 52.649 6.486 -3.216
155 HE2 LYS 15 HE2 LYS 15 54.432 7.487 -1.795
156 HE3 LYS 15 HE1 LYS 15 54.051 6.316 -0.511
157 HZ1 LYS 15 HZ1 LYS 15 54.363 4.780 -2.745
158 HZ2 LYS 15 HZ2 LYS 15 55.518 4.999 -1.519
159 HZ3 LYS 15 HZ3 LYS 15 55.570 5.957 -2.922
160 H LYS 16 HN LYS 16 47.756 9.360 -2.303
161 HA LYS 16 HA LYS 16 47.843 11.370 -0.639
162 HB2 LYS 16 HB2 LYS 16 50.347 11.338 -1.634
163 HB3 LYS 16 HB1 LYS 16 49.516 12.616 -2.520
164 HG2 LYS 16 HG2 LYS 16 50.488 13.743 -0.668
165 HG3 LYS 16 HG1 LYS 16 48.787 13.527 -0.205
166 HD2 LYS 16 HD2 LYS 16 49.343 11.610 1.177
167 HD3 LYS 16 HD1 LYS 16 51.026 11.621 0.601
168 HE2 LYS 16 HE2 LYS 16 49.684 13.883 2.146
169 HE3 LYS 16 HE1 LYS 16 50.802 12.686 2.843
170 HZ1 LYS 16 HZ1 LYS 16 52.365 13.461 0.972
171 HZ2 LYS 16 HZ2 LYS 16 52.167 14.466 2.327
172 HZ3 LYS 16 HZ3 LYS 16 51.358 14.823 0.876
173 H LYS 17 HN LYS 17 48.557 11.115 -3.283
174 HA LYS 17 HA LYS 17 45.883 11.408 -4.593
175 HB2 LYS 17 HB2 LYS 17 48.181 13.234 -5.352
176 HB3 LYS 17 HB1 LYS 17 46.674 13.060 -6.251
177 HG2 LYS 17 HG2 LYS 17 46.864 14.093 -3.383
178 HG3 LYS 17 HG1 LYS 17 46.729 15.124 -4.821
179 HD2 LYS 17 HD2 LYS 17 44.587 13.728 -5.370
180 HD3 LYS 17 HD1 LYS 17 44.677 13.197 -3.674
181 HE2 LYS 17 HE2 LYS 17 43.223 15.140 -3.780
182 HE3 LYS 17 HE1 LYS 17 44.740 15.625 -2.986
183 HZ1 LYS 17 HZ1 LYS 17 43.978 17.201 -4.710
184 HZ2 LYS 17 HZ2 LYS 17 44.164 15.987 -5.884
185 HZ3 LYS 17 HZ3 LYS 17 45.516 16.566 -5.034
186 H GLY 18 HN GLY 18 48.494 10.098 -3.640
187 HA2 GLY 18 HA1 GLY 18 49.183 7.974 -4.907
188 HA3 GLY 18 HA2 GLY 18 49.224 8.963 -6.394
189 H ARG 19 HN ARG 19 50.004 10.499 -3.494
190 HA ARG 19 HA ARG 19 52.424 10.512 -2.577
191 HB2 ARG 19 HB2 ARG 19 52.837 11.045 -5.599
192 HB3 ARG 19 HB1 ARG 19 54.045 11.450 -4.333
193 HG2 ARG 19 HG2 ARG 19 53.172 8.605 -4.106
194 HG3 ARG 19 HG1 ARG 19 53.989 8.978 -5.642
195 HD2 ARG 19 HD2 ARG 19 55.527 8.231 -3.769
196 HD3 ARG 19 HD1 ARG 19 55.942 9.807 -4.483
197 HE ARG 19 HE ARG 19 54.186 10.023 -2.149
198 HH11 ARG 19 HH11 ARG 19 55.571 12.230 -1.871
199 HH12 ARG 19 HH12 ARG 19 57.091 11.883 -1.118
200 HH21 ARG 19 HH21 ARG 19 56.950 8.484 -1.796
201 HH22 ARG 19 HH22 ARG 19 57.872 9.762 -1.076
202 H LYS 20 HN LYS 20 50.571 11.979 -5.003
203 HA LYS 20 HA LYS 20 50.331 13.970 -5.841
204 HB2 LYS 20 HB2 LYS 20 49.779 15.719 -4.861
205 HB3 LYS 20 HB1 LYS 20 49.165 14.479 -3.792
206 HG2 LYS 20 HG2 LYS 20 51.420 14.961 -2.436
207 HG3 LYS 20 HG1 LYS 20 51.352 16.510 -3.290
208 HD2 LYS 20 HD2 LYS 20 49.068 15.391 -1.618
209 HD3 LYS 20 HD1 LYS 20 50.260 16.571 -1.028
210 HE2 LYS 20 HE2 LYS 20 48.373 16.951 -3.394
211 HE3 LYS 20 HE1 LYS 20 48.235 17.734 -1.803
212 HZ1 LYS 20 HZ1 LYS 20 49.322 19.296 -3.112
213 HZ2 LYS 20 HZ2 LYS 20 50.287 18.140 -3.897
214 HZ3 LYS 20 HZ3 LYS 20 50.598 18.553 -2.278
215 H ALA 21 HN ALA 21 51.668 13.338 -6.542
216 HA ALA 21 HA ALA 21 53.782 14.831 -7.321
217 HB1 ALA 21 HB1 ALA 21 55.759 13.818 -6.546
218 HB2 ALA 21 HB2 ALA 21 54.948 12.253 -6.316
219 HB3 ALA 21 HB3 ALA 21 54.758 13.545 -5.104
220 H VAL 22 HN VAL 22 51.372 13.089 -6.765
221 HA VAL 22 HA VAL 22 51.573 11.993 -9.609
222 HB VAL 22 HB VAL 22 50.166 10.778 -7.206
223 HG11 VAL 22 HG11 VAL 22 48.411 10.840 -8.851
224 HG12 VAL 22 HG12 VAL 22 49.110 9.216 -9.004
225 HG13 VAL 22 HG13 VAL 22 49.544 10.485 -10.174
226 HG21 VAL 22 HG21 VAL 22 51.244 8.695 -8.046
227 HG22 VAL 22 HG22 VAL 22 52.458 9.971 -7.768
228 HG23 VAL 22 HG23 VAL 22 51.909 9.606 -9.418
229 H ILE 23 HN ILE 23 51.124 14.391 -7.708
230 HA ILE 23 HA ILE 23 49.135 15.387 -9.493
231 HB ILE 23 HB ILE 23 48.196 14.960 -6.708
232 HG12 ILE 23 HG12 ILE 23 47.109 14.045 -8.869
233 HG13 ILE 23 HG11 ILE 23 46.027 14.768 -7.665
234 HG21 ILE 23 HG21 ILE 23 48.493 17.312 -6.446
235 HG22 ILE 23 HG22 ILE 23 46.760 17.060 -6.762
236 HG23 ILE 23 HG23 ILE 23 47.825 17.645 -8.062
237 HD11 ILE 23 HD1 ILE 23 45.663 15.452 -10.130
238 HD12 ILE 23 HD2 ILE 23 47.148 16.413 -9.966
239 HD13 ILE 23 HD3 ILE 23 45.747 16.759 -8.930
240 H ALA 24 HN ALA 24 51.189 15.577 -6.910
241 HA ALA 24 HA ALA 24 51.799 18.334 -7.702
242 HB1 ALA 24 HB1 ALA 24 53.436 18.435 -6.037
243 HB2 ALA 24 HB2 ALA 24 53.740 16.693 -6.097
244 HB3 ALA 24 HB3 ALA 24 52.283 17.313 -5.296
245 H TRP 25 HN TRP 25 51.695 15.142 -8.595
246 HA TRP 25 HA TRP 25 52.728 14.095 -10.468
247 HB2 TRP 25 HB2 TRP 25 51.836 16.127 -11.589
248 HB3 TRP 25 HB1 TRP 25 53.410 16.920 -11.348
249 HD1 TRP 25 HD1 TRP 25 52.168 13.541 -12.819
250 HE1 TRP 25 HE1 TRP 25 53.541 13.011 -14.965
251 HE3 TRP 25 HE3 TRP 25 55.274 17.610 -12.816
252 HZ2 TRP 25 HZ2 TRP 25 55.695 14.215 -16.451
253 HZ3 TRP 25 HZ3 TRP 25 56.979 17.899 -14.606
254 HH2 TRP 25 HH2 TRP 25 57.193 16.208 -16.422
Start of MODEL 2
1 H1 ALA 1 HT1 ALA 1 47.149 13.783 10.474
2 H2 ALA 1 HT2 ALA 1 47.439 14.841 9.177
3 H3 ALA 1 HT3 ALA 1 47.982 15.234 10.739
4 HA ALA 1 HA ALA 1 49.854 14.183 10.456
5 HB1 ALA 1 HB1 ALA 1 49.873 11.787 9.786
6 HB2 ALA 1 HB2 ALA 1 48.126 11.898 9.450
7 HB3 ALA 1 HB3 ALA 1 48.729 12.123 11.114
8 H TRP 2 HN TRP 2 49.434 11.995 8.030
9 HA TRP 2 HA TRP 2 49.855 13.868 5.821
10 HB2 TRP 2 HB2 TRP 2 51.941 12.448 7.078
11 HB3 TRP 2 HB1 TRP 2 51.659 11.673 5.507
12 HD1 TRP 2 HD1 TRP 2 51.582 15.442 6.460
13 HE1 TRP 2 HE1 TRP 2 53.201 16.737 4.894
14 HE3 TRP 2 HE3 TRP 2 53.474 11.490 3.812
15 HZ2 TRP 2 HZ2 TRP 2 55.058 16.110 2.784
16 HZ3 TRP 2 HZ3 TRP 2 55.169 11.863 2.028
17 HH2 TRP 2 HH2 TRP 2 55.964 14.168 1.513
18 H LYS 3 HN LYS 3 47.401 12.625 6.156
19 HA LYS 3 HA LYS 3 46.088 10.856 5.155
20 HB2 LYS 3 HB2 LYS 3 48.344 11.059 3.147
21 HB3 LYS 3 HB1 LYS 3 47.174 9.733 3.088
22 HG2 LYS 3 HG2 LYS 3 46.497 11.637 1.655
23 HG3 LYS 3 HG1 LYS 3 45.327 11.337 2.961
24 HD2 LYS 3 HD2 LYS 3 46.179 13.172 4.270
25 HD3 LYS 3 HD1 LYS 3 47.577 13.375 3.187
26 HE2 LYS 3 HE2 LYS 3 44.676 13.714 2.315
27 HE3 LYS 3 HE1 LYS 3 45.733 15.059 2.804
28 HZ1 LYS 3 HZ1 LYS 3 47.297 14.342 1.052
29 HZ2 LYS 3 HZ2 LYS 3 45.791 14.827 0.433
30 HZ3 LYS 3 HZ3 LYS 3 46.178 13.176 0.541
31 H GLU 4 HN GLU 4 48.515 11.072 6.924
32 HA GLU 4 HA GLU 4 49.103 9.916 8.606
33 HB2 GLU 4 HB2 GLU 4 47.111 8.395 8.414
34 HB3 GLU 4 HB1 GLU 4 48.189 7.316 7.501
35 HG2 GLU 4 HG2 GLU 4 49.647 7.039 9.420
36 HG3 GLU 4 HG1 GLU 4 48.782 8.306 10.323
37 H LYS 5 HN LYS 5 50.809 11.014 7.239
38 HA LYS 5 HA LYS 5 53.100 10.527 6.599
39 HB2 LYS 5 HB2 LYS 5 52.931 7.633 7.527
40 HB3 LYS 5 HB1 LYS 5 54.326 8.724 7.476
41 HG2 LYS 5 HG2 LYS 5 53.057 10.110 9.293
42 HG3 LYS 5 HG1 LYS 5 52.066 8.648 9.506
43 HD2 LYS 5 HD2 LYS 5 54.167 7.324 9.868
44 HD3 LYS 5 HD1 LYS 5 55.095 8.841 9.785
45 HE2 LYS 5 HE2 LYS 5 54.684 8.348 12.126
46 HE3 LYS 5 HE1 LYS 5 53.660 9.730 11.671
47 HZ1 LYS 5 HZ1 LYS 5 52.815 7.390 12.814
48 HZ2 LYS 5 HZ2 LYS 5 52.377 7.218 11.181
49 HZ3 LYS 5 HZ3 LYS 5 51.831 8.556 12.074
50 H ILE 6 HN ILE 6 50.120 9.420 6.108
51 HA ILE 6 HA ILE 6 49.315 9.113 3.741
52 HB ILE 6 HB ILE 6 50.285 7.748 2.054
53 HG12 ILE 6 HG12 ILE 6 52.857 6.897 2.871
54 HG13 ILE 6 HG11 ILE 6 51.875 6.597 4.310
55 HG21 ILE 6 HG21 ILE 6 52.852 9.016 2.387
56 HG22 ILE 6 HG22 ILE 6 51.659 10.079 3.149
57 HG23 ILE 6 HG23 ILE 6 51.460 9.593 1.461
58 HD11 ILE 6 HD1 ILE 6 51.512 5.493 1.509
59 HD12 ILE 6 HD2 ILE 6 50.194 5.457 2.701
60 HD13 ILE 6 HD3 ILE 6 51.718 4.604 3.036
61 H ARG 7 HN ARG 7 47.460 8.160 3.778
62 HA ARG 7 HA ARG 7 46.277 6.059 3.521
63 HB2 ARG 7 HB2 ARG 7 48.248 4.614 3.959
64 HB3 ARG 7 HB1 ARG 7 47.919 4.826 5.691
65 HG2 ARG 7 HG2 ARG 7 45.692 3.839 5.416
66 HG3 ARG 7 HG1 ARG 7 45.939 3.723 3.658
67 HD2 ARG 7 HD2 ARG 7 47.707 2.108 3.931
68 HD3 ARG 7 HD1 ARG 7 47.762 2.372 5.690
69 HE ARG 7 HE ARG 7 45.128 1.526 5.039
70 HH11 ARG 7 HH11 ARG 7 47.543 0.035 3.453
71 HH12 ARG 7 HH12 ARG 7 47.492 -1.466 4.317
72 HH21 ARG 7 HH21 ARG 7 45.412 -0.261 6.816
73 HH22 ARG 7 HH22 ARG 7 46.285 -1.633 6.221
74 H LYS 8 HN LYS 8 45.116 7.801 4.148
75 HA LYS 8 HA LYS 8 43.473 6.895 6.236
76 HB2 LYS 8 HB2 LYS 8 44.865 8.064 7.826
77 HB3 LYS 8 HB1 LYS 8 45.031 9.465 6.749
78 HG2 LYS 8 HG2 LYS 8 42.733 10.103 7.073
79 HG3 LYS 8 HG1 LYS 8 42.347 8.567 7.881
80 HD2 LYS 8 HD2 LYS 8 44.495 10.363 9.064
81 HD3 LYS 8 HD1 LYS 8 42.785 10.775 9.319
82 HE2 LYS 8 HE2 LYS 8 44.101 8.114 10.040
83 HE3 LYS 8 HE1 LYS 8 43.627 9.393 11.180
84 HZ1 LYS 8 HZ1 LYS 8 41.405 8.868 9.604
85 HZ2 LYS 8 HZ2 LYS 8 41.627 8.473 11.241
86 HZ3 LYS 8 HZ3 LYS 8 42.034 7.352 10.031
87 H LYS 9 HN LYS 9 44.340 8.599 3.519
88 HA LYS 9 HA LYS 9 41.728 9.986 3.319
89 HB2 LYS 9 HB2 LYS 9 43.821 10.162 1.618
90 HB3 LYS 9 HB1 LYS 9 43.018 8.737 0.887
91 HG2 LYS 9 HG2 LYS 9 42.009 10.507 -0.285
92 HG3 LYS 9 HG1 LYS 9 40.841 10.246 1.030
93 HD2 LYS 9 HD2 LYS 9 41.893 12.095 2.323
94 HD3 LYS 9 HD1 LYS 9 43.058 12.348 1.003
95 HE2 LYS 9 HE2 LYS 9 41.099 13.927 0.923
96 HE3 LYS 9 HE1 LYS 9 41.265 12.930 -0.542
97 HZ1 LYS 9 HZ1 LYS 9 39.565 11.471 0.237
98 HZ2 LYS 9 HZ2 LYS 9 38.968 13.056 0.356
99 HZ3 LYS 9 HZ3 LYS 9 39.496 12.237 1.748
100 H LEU 10 HN LEU 10 43.156 6.881 3.456
101 HA LEU 10 HA LEU 10 41.439 4.973 3.912
102 HB2 LEU 10 HB2 LEU 10 39.650 6.062 2.571
103 HB3 LEU 10 HB1 LEU 10 40.772 5.987 1.148
104 HG LEU 10 HG LEU 10 40.559 3.520 1.137
105 HD11 LEU 10 HD11 LEU 10 39.178 3.958 3.807
106 HD12 LEU 10 HD12 LEU 10 40.538 2.876 3.418
107 HD13 LEU 10 HD13 LEU 10 38.899 2.477 2.859
108 HD21 LEU 10 HD21 LEU 10 38.231 3.277 0.577
109 HD22 LEU 10 HD22 LEU 10 38.671 4.953 0.173
110 HD23 LEU 10 HD23 LEU 10 37.764 4.605 1.664
111 H LYS 11 HN LYS 11 42.285 6.104 0.823
112 HA LYS 11 HA LYS 11 43.971 3.971 0.023
113 HB2 LYS 11 HB2 LYS 11 42.635 6.079 -1.379
114 HB3 LYS 11 HB1 LYS 11 43.500 4.742 -2.203
115 HG2 LYS 11 HG2 LYS 11 41.765 3.220 -0.867
116 HG3 LYS 11 HG1 LYS 11 40.807 4.718 -0.830
117 HD2 LYS 11 HD2 LYS 11 40.936 4.882 -3.292
118 HD3 LYS 11 HD1 LYS 11 41.912 3.394 -3.343
119 HE2 LYS 11 HE2 LYS 11 40.049 2.133 -2.304
120 HE3 LYS 11 HE1 LYS 11 39.070 3.619 -2.257
121 HZ1 LYS 11 HZ1 LYS 11 39.679 1.878 -4.482
122 HZ2 LYS 11 HZ2 LYS 11 39.874 3.529 -4.830
123 HZ3 LYS 11 HZ3 LYS 11 38.382 2.948 -4.262
124 H ASN 12 HN ASN 12 43.522 6.389 1.242
125 HA ASN 12 HA ASN 12 45.084 8.297 1.793
126 HB2 ASN 12 HB2 ASN 12 47.531 7.679 0.494
127 HB3 ASN 12 HB1 ASN 12 47.254 7.681 2.170
128 HD21 ASN 12 HD21 ASN 12 49.180 6.009 0.761
129 HD22 ASN 12 HD22 ASN 12 48.693 4.332 1.020
130 H GLU 13 HN GLU 13 43.543 7.367 -0.539
131 HA GLU 13 HA GLU 13 42.949 8.188 -2.620
132 HB2 GLU 13 HB2 GLU 13 44.038 10.451 -1.588
133 HB3 GLU 13 HB1 GLU 13 45.356 10.039 -2.712
134 HG2 GLU 13 HG2 GLU 13 42.407 10.268 -3.524
135 HG3 GLU 13 HG1 GLU 13 43.584 11.586 -3.692
136 H ILE 14 HN ILE 14 44.578 5.898 -1.819
137 HA ILE 14 HA ILE 14 45.928 4.419 -2.960
138 HB ILE 14 HB ILE 14 46.595 6.420 -5.173
139 HG12 ILE 14 HG12 ILE 14 44.226 4.508 -4.902
140 HG13 ILE 14 HG11 ILE 14 44.150 6.264 -5.144
141 HG21 ILE 14 HG21 ILE 14 47.934 4.263 -4.806
142 HG22 ILE 14 HG22 ILE 14 47.219 4.477 -6.415
143 HG23 ILE 14 HG23 ILE 14 46.450 3.387 -5.237
144 HD11 ILE 14 HD1 ILE 14 43.737 5.379 -7.300
145 HD12 ILE 14 HD2 ILE 14 44.986 4.124 -7.121
146 HD13 ILE 14 HD3 ILE 14 45.460 5.825 -7.347
147 H LYS 15 HN LYS 15 46.868 7.788 -2.201
148 HA LYS 15 HA LYS 15 49.185 6.872 -0.746
149 HB2 LYS 15 HB2 LYS 15 49.678 6.936 -3.552
150 HB3 LYS 15 HB1 LYS 15 50.434 8.384 -2.867
151 HG2 LYS 15 HG2 LYS 15 51.739 7.037 -1.301
152 HG3 LYS 15 HG1 LYS 15 50.886 5.557 -1.803
153 HD2 LYS 15 HD2 LYS 15 51.770 5.844 -4.111
154 HD3 LYS 15 HD1 LYS 15 52.658 7.292 -3.578
155 HE2 LYS 15 HE2 LYS 15 53.933 5.944 -1.958
156 HE3 LYS 15 HE1 LYS 15 53.019 4.490 -2.428
157 HZ1 LYS 15 HZ1 LYS 15 54.027 5.687 -4.752
158 HZ2 LYS 15 HZ2 LYS 15 54.443 4.185 -4.078
159 HZ3 LYS 15 HZ3 LYS 15 55.304 5.583 -3.642
160 H LYS 16 HN LYS 16 47.614 9.401 -2.388
161 HA LYS 16 HA LYS 16 47.932 11.175 -0.486
162 HB2 LYS 16 HB2 LYS 16 50.312 11.069 -1.889
163 HB3 LYS 16 HB1 LYS 16 49.567 12.654 -2.141
164 HG2 LYS 16 HG2 LYS 16 50.198 11.424 0.585
165 HG3 LYS 16 HG1 LYS 16 51.172 12.662 -0.231
166 HD2 LYS 16 HD2 LYS 16 48.847 13.990 -0.308
167 HD3 LYS 16 HD1 LYS 16 48.423 12.901 1.028
168 HE2 LYS 16 HE2 LYS 16 50.778 14.828 0.914
169 HE3 LYS 16 HE1 LYS 16 49.361 14.919 1.987
170 HZ1 LYS 16 HZ1 LYS 16 51.712 13.200 2.142
171 HZ2 LYS 16 HZ2 LYS 16 50.229 12.478 2.551
172 HZ3 LYS 16 HZ3 LYS 16 50.762 13.860 3.382
173 H LYS 17 HN LYS 17 48.519 11.201 -3.175
174 HA LYS 17 HA LYS 17 45.812 11.994 -4.246
175 HB2 LYS 17 HB2 LYS 17 48.343 13.476 -5.029
176 HB3 LYS 17 HB1 LYS 17 46.760 13.662 -5.790
177 HG2 LYS 17 HG2 LYS 17 47.331 14.286 -2.855
178 HG3 LYS 17 HG1 LYS 17 47.293 15.502 -4.144
179 HD2 LYS 17 HD2 LYS 17 44.902 14.575 -4.662
180 HD3 LYS 17 HD1 LYS 17 45.005 13.829 -3.051
181 HE2 LYS 17 HE2 LYS 17 43.908 16.034 -2.917
182 HE3 LYS 17 HE1 LYS 17 45.461 16.051 -2.050
183 HZ1 LYS 17 HZ1 LYS 17 46.495 17.159 -3.851
184 HZ2 LYS 17 HZ2 LYS 17 45.044 17.992 -3.554
185 HZ3 LYS 17 HZ3 LYS 17 45.162 16.929 -4.875
186 H GLY 18 HN GLY 18 48.193 10.153 -3.639
187 HA2 GLY 18 HA1 GLY 18 48.231 8.095 -5.291
188 HA3 GLY 18 HA2 GLY 18 48.664 9.306 -6.540
189 H ARG 19 HN ARG 19 49.856 10.888 -4.417
190 HA ARG 19 HA ARG 19 52.164 9.817 -3.215
191 HB2 ARG 19 HB2 ARG 19 52.613 9.233 -5.799
192 HB3 ARG 19 HB1 ARG 19 52.840 11.009 -5.967
193 HG2 ARG 19 HG2 ARG 19 54.696 10.949 -4.410
194 HG3 ARG 19 HG1 ARG 19 54.312 9.309 -3.859
195 HD2 ARG 19 HD2 ARG 19 56.220 9.863 -5.779
196 HD3 ARG 19 HD1 ARG 19 55.372 8.306 -5.642
197 HE ARG 19 HE ARG 19 53.744 9.956 -7.255
198 HH11 ARG 19 HH11 ARG 19 55.851 7.459 -7.551
199 HH12 ARG 19 HH12 ARG 19 56.439 7.862 -9.129
200 HH21 ARG 19 HH21 ARG 19 54.961 10.999 -9.171
201 HH22 ARG 19 HH22 ARG 19 55.936 9.866 -10.046
202 H LYS 20 HN LYS 20 50.405 12.031 -5.047
203 HA LYS 20 HA LYS 20 50.537 14.155 -5.570
204 HB2 LYS 20 HB2 LYS 20 50.591 15.801 -4.191
205 HB3 LYS 20 HB1 LYS 20 49.587 14.548 -3.508
206 HG2 LYS 20 HG2 LYS 20 50.766 14.569 -1.513
207 HG3 LYS 20 HG1 LYS 20 52.281 14.310 -2.378
208 HD2 LYS 20 HD2 LYS 20 52.519 16.370 -1.179
209 HD3 LYS 20 HD1 LYS 20 52.272 16.822 -2.876
210 HE2 LYS 20 HE2 LYS 20 49.851 17.184 -2.421
211 HE3 LYS 20 HE1 LYS 20 50.127 16.765 -0.713
212 HZ1 LYS 20 HZ1 LYS 20 50.499 18.944 -0.479
213 HZ2 LYS 20 HZ2 LYS 20 50.737 19.201 -2.141
214 HZ3 LYS 20 HZ3 LYS 20 52.016 18.637 -1.174
215 H ALA 21 HN ALA 21 51.741 13.264 -6.428
216 HA ALA 21 HA ALA 21 53.909 14.597 -7.281
217 HB1 ALA 21 HB1 ALA 21 54.962 13.111 -5.243
218 HB2 ALA 21 HB2 ALA 21 55.858 13.400 -6.751
219 HB3 ALA 21 HB3 ALA 21 54.950 11.891 -6.536
220 H VAL 22 HN VAL 22 51.400 13.238 -6.678
221 HA VAL 22 HA VAL 22 51.221 12.193 -9.530
222 HB VAL 22 HB VAL 22 49.795 11.130 -7.053
223 HG11 VAL 22 HG11 VAL 22 48.468 9.764 -8.831
224 HG12 VAL 22 HG12 VAL 22 49.059 10.955 -10.010
225 HG13 VAL 22 HG13 VAL 22 48.028 11.475 -8.663
226 HG21 VAL 22 HG21 VAL 22 51.082 9.554 -9.328
227 HG22 VAL 22 HG22 VAL 22 50.678 8.986 -7.693
228 HG23 VAL 22 HG23 VAL 22 52.029 10.110 -7.935
229 H ILE 23 HN ILE 23 51.189 14.521 -7.360
230 HA ILE 23 HA ILE 23 49.243 15.865 -8.992
231 HB ILE 23 HB ILE 23 48.487 15.392 -6.165
232 HG12 ILE 23 HG12 ILE 23 47.114 14.795 -8.268
233 HG13 ILE 23 HG11 ILE 23 46.241 15.583 -6.938
234 HG21 ILE 23 HG21 ILE 23 47.370 17.669 -5.956
235 HG22 ILE 23 HG22 ILE 23 48.396 18.199 -7.310
236 HG23 ILE 23 HG23 ILE 23 49.141 17.659 -5.788
237 HD11 ILE 23 HD1 ILE 23 46.153 17.671 -8.061
238 HD12 ILE 23 HD2 ILE 23 45.805 16.473 -9.328
239 HD13 ILE 23 HD3 ILE 23 47.417 17.210 -9.222
240 H ALA 24 HN ALA 24 51.533 15.649 -6.617
241 HA ALA 24 HA ALA 24 52.441 18.333 -7.373
242 HB1 ALA 24 HB1 ALA 24 54.213 18.133 -5.859
243 HB2 ALA 24 HB2 ALA 24 54.265 16.370 -6.008
244 HB3 ALA 24 HB3 ALA 24 52.984 17.142 -5.059
245 H TRP 25 HN TRP 25 51.810 15.223 -8.335
246 HA TRP 25 HA TRP 25 52.526 14.096 -10.301
247 HB2 TRP 25 HB2 TRP 25 51.802 16.283 -11.284
248 HB3 TRP 25 HB1 TRP 25 53.499 16.818 -11.232
249 HD1 TRP 25 HD1 TRP 25 51.660 13.627 -12.488
250 HE1 TRP 25 HE1 TRP 25 52.639 12.953 -14.801
251 HE3 TRP 25 HE3 TRP 25 55.148 17.340 -13.002
252 HZ2 TRP 25 HZ2 TRP 25 54.666 13.919 -16.605
253 HZ3 TRP 25 HZ3 TRP 25 56.593 17.443 -15.028
254 HH2 TRP 25 HH2 TRP 25 56.356 15.737 -16.827
Start of MODEL 3
1 H1 ALA 1 HT1 ALA 1 50.411 11.613 12.657
2 H2 ALA 1 HT2 ALA 1 49.810 12.340 11.244
3 H3 ALA 1 HT3 ALA 1 51.377 12.703 11.790
4 HA ALA 1 HA ALA 1 52.125 10.518 11.364
5 HB1 ALA 1 HB1 ALA 1 49.767 9.590 11.910
6 HB2 ALA 1 HB2 ALA 1 50.719 8.777 10.647
7 HB3 ALA 1 HB3 ALA 1 49.398 9.891 10.192
8 H TRP 2 HN TRP 2 50.465 9.708 8.728
9 HA TRP 2 HA TRP 2 51.178 11.926 7.015
10 HB2 TRP 2 HB2 TRP 2 53.172 10.126 7.474
11 HB3 TRP 2 HB1 TRP 2 52.393 9.444 6.030
12 HD1 TRP 2 HD1 TRP 2 51.621 12.249 4.666
13 HE1 TRP 2 HE1 TRP 2 53.478 13.689 3.551
14 HE3 TRP 2 HE3 TRP 2 55.699 10.321 7.086
15 HZ2 TRP 2 HZ2 TRP 2 56.342 13.941 3.712
16 HZ3 TRP 2 HZ3 TRP 2 57.983 11.176 6.589
17 HH2 TRP 2 HH2 TRP 2 58.309 12.982 4.905
18 H LYS 3 HN LYS 3 48.561 11.319 7.208
19 HA LYS 3 HA LYS 3 46.808 10.166 6.013
20 HB2 LYS 3 HB2 LYS 3 48.946 10.230 3.898
21 HB3 LYS 3 HB1 LYS 3 47.485 9.244 3.699
22 HG2 LYS 3 HG2 LYS 3 47.240 11.491 2.683
23 HG3 LYS 3 HG1 LYS 3 46.079 11.227 4.008
24 HD2 LYS 3 HD2 LYS 3 47.383 12.542 5.540
25 HD3 LYS 3 HD1 LYS 3 48.775 12.580 4.432
26 HE2 LYS 3 HE2 LYS 3 46.063 13.762 3.710
27 HE3 LYS 3 HE1 LYS 3 47.351 14.707 4.497
28 HZ1 LYS 3 HZ1 LYS 3 48.130 15.045 2.455
29 HZ2 LYS 3 HZ2 LYS 3 47.115 13.869 1.768
30 HZ3 LYS 3 HZ3 LYS 3 48.608 13.417 2.439
31 H GLU 4 HN GLU 4 49.093 9.424 7.656
32 HA GLU 4 HA GLU 4 49.440 7.829 8.975
33 HB2 GLU 4 HB2 GLU 4 47.118 6.928 8.644
34 HB3 GLU 4 HB1 GLU 4 47.861 5.818 7.470
35 HG2 GLU 4 HG2 GLU 4 49.301 4.886 9.241
36 HG3 GLU 4 HG1 GLU 4 48.630 6.041 10.416
37 H LYS 5 HN LYS 5 51.350 8.704 7.814
38 HA LYS 5 HA LYS 5 53.433 7.841 7.001
39 HB2 LYS 5 HB2 LYS 5 52.544 4.941 7.293
40 HB3 LYS 5 HB1 LYS 5 54.169 5.640 7.408
41 HG2 LYS 5 HG2 LYS 5 53.287 6.869 9.531
42 HG3 LYS 5 HG1 LYS 5 51.940 5.707 9.476
43 HD2 LYS 5 HD2 LYS 5 53.690 3.852 9.380
44 HD3 LYS 5 HD1 LYS 5 54.909 5.096 9.746
45 HE2 LYS 5 HE2 LYS 5 53.675 5.687 11.819
46 HE3 LYS 5 HE1 LYS 5 52.475 4.423 11.457
47 HZ1 LYS 5 HZ1 LYS 5 53.833 2.857 12.224
48 HZ2 LYS 5 HZ2 LYS 5 54.803 4.098 12.861
49 HZ3 LYS 5 HZ3 LYS 5 55.159 3.436 11.337
50 H ILE 6 HN ILE 6 50.287 7.686 6.367
51 HA ILE 6 HA ILE 6 49.432 8.051 3.978
52 HB ILE 6 HB ILE 6 51.544 6.010 3.107
53 HG12 ILE 6 HG12 ILE 6 51.327 8.867 2.087
54 HG13 ILE 6 HG11 ILE 6 52.091 8.596 3.661
55 HG21 ILE 6 HG21 ILE 6 49.292 7.326 1.618
56 HG22 ILE 6 HG22 ILE 6 49.713 5.613 1.691
57 HG23 ILE 6 HG23 ILE 6 50.731 6.742 0.783
58 HD11 ILE 6 HD1 ILE 6 52.950 7.427 0.979
59 HD12 ILE 6 HD2 ILE 6 53.631 6.914 2.539
60 HD13 ILE 6 HD3 ILE 6 53.835 8.591 1.987
61 H ARG 7 HN ARG 7 47.506 7.539 4.101
62 HA ARG 7 HA ARG 7 45.937 5.751 3.181
63 HB2 ARG 7 HB2 ARG 7 47.471 3.941 5.087
64 HB3 ARG 7 HB1 ARG 7 45.847 3.562 4.502
65 HG2 ARG 7 HG2 ARG 7 46.510 3.272 2.282
66 HG3 ARG 7 HG1 ARG 7 47.961 4.272 2.456
67 HD2 ARG 7 HD2 ARG 7 48.369 1.756 2.283
68 HD3 ARG 7 HD1 ARG 7 49.107 2.547 3.696
69 HE ARG 7 HE ARG 7 46.602 1.694 4.588
70 HH11 ARG 7 HH11 ARG 7 49.360 0.290 3.066
71 HH12 ARG 7 HH12 ARG 7 49.153 -1.256 3.819
72 HH21 ARG 7 HH21 ARG 7 46.321 -0.313 5.585
73 HH22 ARG 7 HH22 ARG 7 47.432 -1.598 5.245
74 H LYS 8 HN LYS 8 45.595 7.935 4.534
75 HA LYS 8 HA LYS 8 43.663 6.969 6.573
76 HB2 LYS 8 HB2 LYS 8 45.747 8.423 7.477
77 HB3 LYS 8 HB1 LYS 8 44.748 9.766 6.895
78 HG2 LYS 8 HG2 LYS 8 42.821 8.711 8.228
79 HG3 LYS 8 HG1 LYS 8 44.051 7.676 8.992
80 HD2 LYS 8 HD2 LYS 8 44.056 10.731 8.981
81 HD3 LYS 8 HD1 LYS 8 43.602 9.701 10.359
82 HE2 LYS 8 HE2 LYS 8 45.961 8.629 10.083
83 HE3 LYS 8 HE1 LYS 8 46.333 10.053 9.081
84 HZ1 LYS 8 HZ1 LYS 8 46.889 10.303 11.475
85 HZ2 LYS 8 HZ2 LYS 8 45.232 10.208 11.840
86 HZ3 LYS 8 HZ3 LYS 8 45.823 11.488 10.892
87 H LYS 9 HN LYS 9 44.474 8.768 3.728
88 HA LYS 9 HA LYS 9 41.942 10.312 3.835
89 HB2 LYS 9 HB2 LYS 9 43.696 10.501 1.896
90 HB3 LYS 9 HB1 LYS 9 42.808 9.071 1.208
91 HG2 LYS 9 HG2 LYS 9 40.676 10.511 1.568
92 HG3 LYS 9 HG1 LYS 9 41.765 11.886 1.844
93 HD2 LYS 9 HD2 LYS 9 42.855 11.292 -0.399
94 HD3 LYS 9 HD1 LYS 9 41.474 10.196 -0.662
95 HE2 LYS 9 HE2 LYS 9 39.916 12.117 -0.333
96 HE3 LYS 9 HE1 LYS 9 41.319 13.200 -0.157
97 HZ1 LYS 9 HZ1 LYS 9 41.467 13.325 -2.350
98 HZ2 LYS 9 HZ2 LYS 9 40.088 12.347 -2.514
99 HZ3 LYS 9 HZ3 LYS 9 41.633 11.643 -2.483
100 H LEU 10 HN LEU 10 42.946 7.108 3.568
101 HA LEU 10 HA LEU 10 40.656 5.635 4.105
102 HB2 LEU 10 HB2 LEU 10 40.746 6.788 1.312
103 HB3 LEU 10 HB1 LEU 10 40.224 5.103 1.452
104 HG LEU 10 HG LEU 10 38.833 7.024 3.336
105 HD11 LEU 10 HD11 LEU 10 38.842 8.138 1.023
106 HD12 LEU 10 HD12 LEU 10 37.235 7.738 1.667
107 HD13 LEU 10 HD13 LEU 10 37.979 6.704 0.425
108 HD21 LEU 10 HD21 LEU 10 36.955 5.500 2.914
109 HD22 LEU 10 HD22 LEU 10 38.409 4.578 3.365
110 HD23 LEU 10 HD23 LEU 10 37.899 4.656 1.662
111 H LYS 11 HN LYS 11 42.510 6.354 1.387
112 HA LYS 11 HA LYS 11 44.226 4.057 1.418
113 HB2 LYS 11 HB2 LYS 11 42.799 5.282 -0.714
114 HB3 LYS 11 HB1 LYS 11 43.975 3.969 -0.988
115 HG2 LYS 11 HG2 LYS 11 42.581 2.295 -0.163
116 HG3 LYS 11 HG1 LYS 11 41.653 3.404 0.849
117 HD2 LYS 11 HD2 LYS 11 40.544 4.357 -1.113
118 HD3 LYS 11 HD1 LYS 11 41.556 3.365 -2.192
119 HE2 LYS 11 HE2 LYS 11 39.388 2.276 -1.943
120 HE3 LYS 11 HE1 LYS 11 40.612 1.307 -1.086
121 HZ1 LYS 11 HZ1 LYS 11 39.018 1.460 0.514
122 HZ2 LYS 11 HZ2 LYS 11 38.449 2.973 -0.006
123 HZ3 LYS 11 HZ3 LYS 11 39.889 2.866 0.888
124 H ASN 12 HN ASN 12 43.540 6.704 1.569
125 HA ASN 12 HA ASN 12 44.935 8.826 1.652
126 HB2 ASN 12 HB2 ASN 12 47.000 7.578 2.255
127 HB3 ASN 12 HB1 ASN 12 47.205 7.205 0.558
128 HD21 ASN 12 HD21 ASN 12 49.025 8.947 2.201
129 HD22 ASN 12 HD22 ASN 12 48.948 10.538 1.449
130 H GLU 13 HN GLU 13 43.228 7.358 -0.003
131 HA GLU 13 HA GLU 13 42.515 7.209 -2.233
132 HB2 GLU 13 HB2 GLU 13 43.202 9.789 -2.176
133 HB3 GLU 13 HB1 GLU 13 44.640 9.237 -3.061
134 HG2 GLU 13 HG2 GLU 13 43.005 9.865 -4.719
135 HG3 GLU 13 HG1 GLU 13 43.034 8.085 -4.691
136 H ILE 14 HN ILE 14 44.603 5.488 -0.887
137 HA ILE 14 HA ILE 14 46.131 3.904 -1.723
138 HB ILE 14 HB ILE 14 46.359 5.304 -4.428
139 HG12 ILE 14 HG12 ILE 14 43.951 4.474 -3.779
140 HG13 ILE 14 HG11 ILE 14 44.632 3.950 -5.328
141 HG21 ILE 14 HG21 ILE 14 48.194 3.844 -4.005
142 HG22 ILE 14 HG22 ILE 14 47.093 2.978 -5.102
143 HG23 ILE 14 HG23 ILE 14 47.131 2.567 -3.371
144 HD11 ILE 14 HD1 ILE 14 45.160 1.768 -4.456
145 HD12 ILE 14 HD2 ILE 14 43.500 2.132 -3.931
146 HD13 ILE 14 HD3 ILE 14 44.847 2.285 -2.784
147 H LYS 15 HN LYS 15 46.520 7.362 -2.376
148 HA LYS 15 HA LYS 15 48.841 7.606 -0.725
149 HB2 LYS 15 HB2 LYS 15 49.400 6.873 -3.540
150 HB3 LYS 15 HB1 LYS 15 50.032 8.505 -3.122
151 HG2 LYS 15 HG2 LYS 15 51.355 7.587 -1.318
152 HG3 LYS 15 HG1 LYS 15 50.562 5.997 -1.439
153 HD2 LYS 15 HD2 LYS 15 51.548 5.596 -3.619
154 HD3 LYS 15 HD1 LYS 15 52.193 7.255 -3.684
155 HE2 LYS 15 HE2 LYS 15 53.993 5.737 -3.033
156 HE3 LYS 15 HE1 LYS 15 53.560 6.747 -1.633
157 HZ1 LYS 15 HZ1 LYS 15 52.277 4.116 -2.053
158 HZ2 LYS 15 HZ2 LYS 15 52.459 5.001 -0.614
159 HZ3 LYS 15 HZ3 LYS 15 53.799 4.222 -1.312
160 H LYS 16 HN LYS 16 49.376 9.667 -0.510
161 HA LYS 16 HA LYS 16 48.329 11.748 -0.579
162 HB2 LYS 16 HB2 LYS 16 50.572 11.341 -2.069
163 HB3 LYS 16 HB1 LYS 16 49.820 12.893 -2.415
164 HG2 LYS 16 HG2 LYS 16 51.449 13.336 -0.714
165 HG3 LYS 16 HG1 LYS 16 49.901 13.287 0.154
166 HD2 LYS 16 HD2 LYS 16 50.432 10.761 0.524
167 HD3 LYS 16 HD1 LYS 16 52.085 11.173 0.024
168 HE2 LYS 16 HE2 LYS 16 50.544 12.456 2.324
169 HE3 LYS 16 HE1 LYS 16 51.873 11.282 2.482
170 HZ1 LYS 16 HZ1 LYS 16 53.358 12.890 2.196
171 HZ2 LYS 16 HZ2 LYS 16 52.096 14.023 2.310
172 HZ3 LYS 16 HZ3 LYS 16 52.600 13.457 0.789
173 H LYS 17 HN LYS 17 48.848 11.670 -3.287
174 HA LYS 17 HA LYS 17 45.967 11.793 -4.164
175 HB2 LYS 17 HB2 LYS 17 47.182 14.252 -3.900
176 HB3 LYS 17 HB1 LYS 17 47.704 13.816 -5.536
177 HG2 LYS 17 HG2 LYS 17 45.664 14.933 -5.943
178 HG3 LYS 17 HG1 LYS 17 45.154 13.229 -5.915
179 HD2 LYS 17 HD2 LYS 17 44.631 13.551 -3.429
180 HD3 LYS 17 HD1 LYS 17 44.908 15.289 -3.681
181 HE2 LYS 17 HE2 LYS 17 42.531 14.883 -3.912
182 HE3 LYS 17 HE1 LYS 17 43.184 15.213 -5.534
183 HZ1 LYS 17 HZ1 LYS 17 41.965 12.831 -4.510
184 HZ2 LYS 17 HZ2 LYS 17 43.480 12.513 -5.212
185 HZ3 LYS 17 HZ3 LYS 17 42.267 13.286 -6.116
186 H GLY 18 HN GLY 18 48.579 10.488 -3.654
187 HA2 GLY 18 HA1 GLY 18 48.929 8.404 -5.198
188 HA3 GLY 18 HA2 GLY 18 48.996 9.525 -6.580
189 H ARG 19 HN ARG 19 50.136 10.591 -3.623
190 HA ARG 19 HA ARG 19 52.571 10.340 -2.848
191 HB2 ARG 19 HB2 ARG 19 53.316 9.432 -5.183
192 HB3 ARG 19 HB1 ARG 19 53.128 11.155 -5.794
193 HG2 ARG 19 HG2 ARG 19 54.900 11.869 -4.319
194 HG3 ARG 19 HG1 ARG 19 54.842 10.400 -3.330
195 HD2 ARG 19 HD2 ARG 19 55.766 9.058 -5.116
196 HD3 ARG 19 HD1 ARG 19 55.643 10.403 -6.270
197 HE ARG 19 HE ARG 19 57.801 9.989 -4.400
198 HH11 ARG 19 HH11 ARG 19 56.707 12.499 -3.280
199 HH12 ARG 19 HH12 ARG 19 57.470 13.715 -4.248
200 HH21 ARG 19 HH21 ARG 19 58.401 11.511 -6.758
201 HH22 ARG 19 HH22 ARG 19 58.429 13.157 -6.217
202 H LYS 20 HN LYS 20 50.782 11.983 -5.141
203 HA LYS 20 HA LYS 20 50.706 13.947 -6.008
204 HB2 LYS 20 HB2 LYS 20 50.153 15.705 -5.029
205 HB3 LYS 20 HB1 LYS 20 49.423 14.404 -4.108
206 HG2 LYS 20 HG2 LYS 20 51.573 14.749 -2.528
207 HG3 LYS 20 HG1 LYS 20 51.545 16.373 -3.237
208 HD2 LYS 20 HD2 LYS 20 49.094 16.522 -2.553
209 HD3 LYS 20 HD1 LYS 20 49.348 15.036 -1.612
210 HE2 LYS 20 HE2 LYS 20 50.641 17.753 -1.230
211 HE3 LYS 20 HE1 LYS 20 49.730 16.783 -0.049
212 HZ1 LYS 20 HZ1 LYS 20 52.285 15.863 -1.253
213 HZ2 LYS 20 HZ2 LYS 20 51.484 15.241 0.110
214 HZ3 LYS 20 HZ3 LYS 20 52.227 16.768 0.181
215 H ALA 21 HN ALA 21 52.051 13.487 -6.708
216 HA ALA 21 HA ALA 21 53.993 15.137 -7.425
217 HB1 ALA 21 HB1 ALA 21 55.463 12.729 -6.411
218 HB2 ALA 21 HB2 ALA 21 55.132 14.015 -5.227
219 HB3 ALA 21 HB3 ALA 21 56.089 14.368 -6.684
220 H VAL 22 HN VAL 22 51.765 13.175 -7.046
221 HA VAL 22 HA VAL 22 52.270 12.140 -9.874
222 HB VAL 22 HB VAL 22 50.720 10.736 -7.656
223 HG11 VAL 22 HG11 VAL 22 50.453 10.540 -10.666
224 HG12 VAL 22 HG12 VAL 22 49.174 10.588 -9.428
225 HG13 VAL 22 HG13 VAL 22 50.131 9.111 -9.656
226 HG21 VAL 22 HG21 VAL 22 52.083 8.760 -8.373
227 HG22 VAL 22 HG22 VAL 22 53.119 10.113 -7.865
228 HG23 VAL 22 HG23 VAL 22 52.878 9.780 -9.592
229 H ILE 23 HN ILE 23 51.418 14.415 -7.945
230 HA ILE 23 HA ILE 23 49.468 15.227 -9.888
231 HB ILE 23 HB ILE 23 48.449 15.274 -7.042
232 HG12 ILE 23 HG12 ILE 23 48.195 12.989 -8.211
233 HG13 ILE 23 HG11 ILE 23 46.699 13.723 -7.650
234 HG21 ILE 23 HG21 ILE 23 47.378 16.400 -9.644
235 HG22 ILE 23 HG22 ILE 23 47.747 17.260 -8.129
236 HG23 ILE 23 HG23 ILE 23 46.343 16.170 -8.213
237 HD11 ILE 23 HD1 ILE 23 47.680 14.011 -10.516
238 HD12 ILE 23 HD2 ILE 23 46.086 14.437 -9.862
239 HD13 ILE 23 HD3 ILE 23 46.575 12.734 -9.974
240 H ALA 24 HN ALA 24 51.295 15.518 -7.150
241 HA ALA 24 HA ALA 24 51.577 18.376 -7.735
242 HB1 ALA 24 HB1 ALA 24 52.040 17.150 -5.375
243 HB2 ALA 24 HB2 ALA 24 52.972 18.570 -5.884
244 HB3 ALA 24 HB3 ALA 24 53.643 16.945 -6.106
245 H TRP 25 HN TRP 25 51.960 15.255 -8.788
246 HA TRP 25 HA TRP 25 53.234 14.436 -10.610
247 HB2 TRP 25 HB2 TRP 25 52.245 16.452 -11.709
248 HB3 TRP 25 HB1 TRP 25 53.728 17.351 -11.312
249 HD1 TRP 25 HD1 TRP 25 52.798 14.021 -13.083
250 HE1 TRP 25 HE1 TRP 25 54.401 13.672 -15.102
251 HE3 TRP 25 HE3 TRP 25 55.749 18.163 -12.496
252 HZ2 TRP 25 HZ2 TRP 25 56.653 15.031 -16.276
253 HZ3 TRP 25 HZ3 TRP 25 57.618 18.617 -14.078
254 HH2 TRP 25 HH2 TRP 25 58.073 17.057 -15.966
Start of MODEL 4
1 H1 ALA 1 HT1 ALA 1 53.568 1.925 10.009
2 H2 ALA 1 HT2 ALA 1 52.357 0.993 9.265
3 H3 ALA 1 HT3 ALA 1 51.937 2.216 10.369
4 HA ALA 1 HA ALA 1 53.046 3.819 8.828
5 HB1 ALA 1 HB1 ALA 1 53.997 3.010 6.921
6 HB2 ALA 1 HB2 ALA 1 52.489 2.164 6.450
7 HB3 ALA 1 HB3 ALA 1 53.684 1.367 7.519
8 H TRP 2 HN TRP 2 51.726 3.959 6.425
9 HA TRP 2 HA TRP 2 49.007 3.324 6.740
10 HB2 TRP 2 HB2 TRP 2 49.744 6.188 6.916
11 HB3 TRP 2 HB1 TRP 2 48.097 5.637 6.622
12 HD1 TRP 2 HD1 TRP 2 50.738 5.855 9.374
13 HE1 TRP 2 HE1 TRP 2 49.661 5.304 11.671
14 HE3 TRP 2 HE3 TRP 2 46.148 4.272 7.753
15 HZ2 TRP 2 HZ2 TRP 2 47.143 4.308 12.643
16 HZ3 TRP 2 HZ3 TRP 2 44.423 3.525 9.385
17 HH2 TRP 2 HH2 TRP 2 44.916 3.540 11.827
18 H LYS 3 HN LYS 3 49.528 2.227 4.769
19 HA LYS 3 HA LYS 3 49.999 2.152 2.597
20 HB2 LYS 3 HB2 LYS 3 48.037 4.150 2.273
21 HB3 LYS 3 HB1 LYS 3 49.376 4.507 1.199
22 HG2 LYS 3 HG2 LYS 3 48.084 1.764 1.355
23 HG3 LYS 3 HG1 LYS 3 47.506 3.041 0.264
24 HD2 LYS 3 HD2 LYS 3 49.559 3.108 -0.947
25 HD3 LYS 3 HD1 LYS 3 50.424 2.180 0.298
26 HE2 LYS 3 HE2 LYS 3 48.074 1.041 -1.267
27 HE3 LYS 3 HE1 LYS 3 49.764 0.871 -1.800
28 HZ1 LYS 3 HZ1 LYS 3 49.724 0.186 0.880
29 HZ2 LYS 3 HZ2 LYS 3 49.909 -0.860 -0.445
30 HZ3 LYS 3 HZ3 LYS 3 48.366 -0.574 0.206
31 H GLU 4 HN GLU 4 51.236 3.836 4.670
32 HA GLU 4 HA GLU 4 53.294 4.109 5.008
33 HB2 GLU 4 HB2 GLU 4 53.999 3.508 2.621
34 HB3 GLU 4 HB1 GLU 4 54.026 5.268 2.383
35 HG2 GLU 4 HG2 GLU 4 55.585 3.966 4.659
36 HG3 GLU 4 HG1 GLU 4 56.262 4.054 3.019
37 H LYS 5 HN LYS 5 51.788 5.111 6.356
38 HA LYS 5 HA LYS 5 51.668 7.117 7.647
39 HB2 LYS 5 HB2 LYS 5 53.684 8.552 5.857
40 HB3 LYS 5 HB1 LYS 5 53.230 8.904 7.533
41 HG2 LYS 5 HG2 LYS 5 54.202 6.586 8.131
42 HG3 LYS 5 HG1 LYS 5 54.936 6.603 6.512
43 HD2 LYS 5 HD2 LYS 5 56.073 8.735 7.031
44 HD3 LYS 5 HD1 LYS 5 55.326 8.745 8.647
45 HE2 LYS 5 HE2 LYS 5 57.525 7.846 8.957
46 HE3 LYS 5 HE1 LYS 5 56.427 6.448 9.012
47 HZ1 LYS 5 HZ1 LYS 5 57.061 5.767 6.915
48 HZ2 LYS 5 HZ2 LYS 5 58.528 6.358 7.535
49 HZ3 LYS 5 HZ3 LYS 5 57.622 7.298 6.449
50 H ILE 6 HN ILE 6 51.387 6.073 4.694
51 HA ILE 6 HA ILE 6 49.744 8.572 3.628
52 HB ILE 6 HB ILE 6 50.671 5.990 2.375
53 HG12 ILE 6 HG12 ILE 6 52.264 8.015 2.824
54 HG13 ILE 6 HG11 ILE 6 52.319 7.210 1.253
55 HG21 ILE 6 HG21 ILE 6 48.522 6.526 1.442
56 HG22 ILE 6 HG22 ILE 6 49.818 6.788 0.260
57 HG23 ILE 6 HG23 ILE 6 49.078 8.168 1.091
58 HD11 ILE 6 HD1 ILE 6 52.332 9.752 1.203
59 HD12 ILE 6 HD2 ILE 6 50.661 9.714 1.799
60 HD13 ILE 6 HD3 ILE 6 51.064 8.993 0.220
61 H ARG 7 HN ARG 7 48.439 5.054 3.111
62 HA ARG 7 HA ARG 7 45.867 5.312 3.192
63 HB2 ARG 7 HB2 ARG 7 47.222 3.811 5.455
64 HB3 ARG 7 HB1 ARG 7 45.490 3.845 5.334
65 HG2 ARG 7 HG2 ARG 7 45.996 2.985 2.831
66 HG3 ARG 7 HG1 ARG 7 47.491 2.435 3.575
67 HD2 ARG 7 HD2 ARG 7 44.792 1.739 4.779
68 HD3 ARG 7 HD1 ARG 7 45.592 0.738 3.551
69 HE ARG 7 HE ARG 7 46.488 1.126 6.348
70 HH11 ARG 7 HH11 ARG 7 48.760 1.311 4.271
71 HH12 ARG 7 HH12 ARG 7 49.316 -0.330 4.264
72 HH21 ARG 7 HH21 ARG 7 46.501 -1.570 5.864
73 HH22 ARG 7 HH22 ARG 7 48.038 -1.960 5.167
74 H LYS 8 HN LYS 8 46.325 7.859 3.828
75 HA LYS 8 HA LYS 8 45.403 8.188 6.583
76 HB2 LYS 8 HB2 LYS 8 47.337 9.579 6.136
77 HB3 LYS 8 HB1 LYS 8 46.595 10.165 4.630
78 HG2 LYS 8 HG2 LYS 8 44.910 11.397 5.852
79 HG3 LYS 8 HG1 LYS 8 45.377 10.626 7.388
80 HD2 LYS 8 HD2 LYS 8 47.558 11.728 7.331
81 HD3 LYS 8 HD1 LYS 8 47.210 12.404 5.721
82 HE2 LYS 8 HE2 LYS 8 46.780 14.148 7.344
83 HE3 LYS 8 HE1 LYS 8 45.204 13.577 6.746
84 HZ1 LYS 8 HZ1 LYS 8 46.017 11.996 8.940
85 HZ2 LYS 8 HZ2 LYS 8 44.651 12.995 8.795
86 HZ3 LYS 8 HZ3 LYS 8 46.115 13.631 9.379
87 H LYS 9 HN LYS 9 44.740 8.788 3.335
88 HA LYS 9 HA LYS 9 42.069 9.925 4.174
89 HB2 LYS 9 HB2 LYS 9 42.918 10.361 1.752
90 HB3 LYS 9 HB1 LYS 9 42.482 8.648 1.432
91 HG2 LYS 9 HG2 LYS 9 40.245 9.972 2.806
92 HG3 LYS 9 HG1 LYS 9 40.733 10.952 1.409
93 HD2 LYS 9 HD2 LYS 9 40.569 8.941 -0.046
94 HD3 LYS 9 HD1 LYS 9 40.057 7.976 1.360
95 HE2 LYS 9 HE2 LYS 9 38.600 10.484 0.428
96 HE3 LYS 9 HE1 LYS 9 38.152 8.840 -0.086
97 HZ1 LYS 9 HZ1 LYS 9 37.083 9.950 2.024
98 HZ2 LYS 9 HZ2 LYS 9 38.483 9.360 2.784
99 HZ3 LYS 9 HZ3 LYS 9 37.429 8.290 1.988
100 H LEU 10 HN LEU 10 43.888 6.983 3.981
101 HA LEU 10 HA LEU 10 42.400 5.090 5.280
102 HB2 LEU 10 HB2 LEU 10 41.131 5.818 2.640
103 HB3 LEU 10 HB1 LEU 10 41.040 4.125 3.177
104 HG LEU 10 HG LEU 10 40.114 6.227 5.176
105 HD11 LEU 10 HD11 LEU 10 37.879 6.225 4.299
106 HD12 LEU 10 HD12 LEU 10 38.254 4.937 3.131
107 HD13 LEU 10 HD13 LEU 10 38.916 6.569 2.897
108 HD21 LEU 10 HD21 LEU 10 39.280 3.357 4.579
109 HD22 LEU 10 HD22 LEU 10 38.722 4.354 5.944
110 HD23 LEU 10 HD23 LEU 10 40.428 3.856 5.843
111 H LYS 11 HN LYS 11 42.812 6.032 2.142
112 HA LYS 11 HA LYS 11 44.735 4.139 1.281
113 HB2 LYS 11 HB2 LYS 11 42.398 5.253 0.079
114 HB3 LYS 11 HB1 LYS 11 43.503 4.208 -0.843
115 HG2 LYS 11 HG2 LYS 11 42.771 2.239 0.131
116 HG3 LYS 11 HG1 LYS 11 42.355 3.017 1.661
117 HD2 LYS 11 HD2 LYS 11 40.307 2.317 0.521
118 HD3 LYS 11 HD1 LYS 11 40.383 4.094 0.548
119 HE2 LYS 11 HE2 LYS 11 41.427 2.473 -1.808
120 HE3 LYS 11 HE1 LYS 11 39.730 2.996 -1.694
121 HZ1 LYS 11 HZ1 LYS 11 40.651 4.759 -2.785
122 HZ2 LYS 11 HZ2 LYS 11 42.164 4.610 -2.027
123 HZ3 LYS 11 HZ3 LYS 11 40.852 5.289 -1.187
124 H ASN 12 HN ASN 12 43.775 6.575 2.111
125 HA ASN 12 HA ASN 12 44.612 8.968 1.771
126 HB2 ASN 12 HB2 ASN 12 46.822 7.812 2.192
127 HB3 ASN 12 HB1 ASN 12 46.966 7.798 0.434
128 HD21 ASN 12 HD21 ASN 12 48.458 9.409 2.642
129 HD22 ASN 12 HD22 ASN 12 48.309 11.078 2.087
130 H GLU 13 HN GLU 13 43.116 7.228 0.088
131 HA GLU 13 HA GLU 13 42.023 7.350 -1.970
132 HB2 GLU 13 HB2 GLU 13 44.126 9.354 -2.898
133 HB3 GLU 13 HB1 GLU 13 42.571 8.983 -3.665
134 HG2 GLU 13 HG2 GLU 13 41.305 10.073 -1.992
135 HG3 GLU 13 HG1 GLU 13 42.643 10.057 -0.824
136 H ILE 14 HN ILE 14 44.249 5.521 -1.024
137 HA ILE 14 HA ILE 14 45.442 3.855 -2.098
138 HB ILE 14 HB ILE 14 43.989 4.764 -4.396
139 HG12 ILE 14 HG12 ILE 14 44.288 2.418 -3.576
140 HG13 ILE 14 HG11 ILE 14 44.493 2.596 -5.330
141 HG21 ILE 14 HG21 ILE 14 45.957 6.040 -5.186
142 HG22 ILE 14 HG22 ILE 14 45.625 4.653 -6.245
143 HG23 ILE 14 HG23 ILE 14 46.964 4.582 -5.079
144 HD11 ILE 14 HD1 ILE 14 46.239 1.163 -3.937
145 HD12 ILE 14 HD2 ILE 14 46.932 2.750 -3.533
146 HD13 ILE 14 HD3 ILE 14 46.816 2.236 -5.232
147 H LYS 15 HN LYS 15 45.809 7.230 -2.380
148 HA LYS 15 HA LYS 15 48.279 7.462 -1.275
149 HB2 LYS 15 HB2 LYS 15 48.580 6.690 -4.125
150 HB3 LYS 15 HB1 LYS 15 49.373 8.240 -3.688
151 HG2 LYS 15 HG2 LYS 15 50.815 7.206 -2.126
152 HG3 LYS 15 HG1 LYS 15 49.788 5.769 -1.945
153 HD2 LYS 15 HD2 LYS 15 50.343 5.095 -4.279
154 HD3 LYS 15 HD1 LYS 15 51.410 6.514 -4.419
155 HE2 LYS 15 HE2 LYS 15 51.706 4.271 -2.374
156 HE3 LYS 15 HE1 LYS 15 52.699 4.475 -3.837
157 HZ1 LYS 15 HZ1 LYS 15 53.273 6.730 -2.954
158 HZ2 LYS 15 HZ2 LYS 15 53.876 5.435 -2.033
159 HZ3 LYS 15 HZ3 LYS 15 52.517 6.302 -1.497
160 H LYS 16 HN LYS 16 48.731 9.525 -1.019
161 HA LYS 16 HA LYS 16 47.653 11.594 -1.143
162 HB2 LYS 16 HB2 LYS 16 50.038 11.163 -2.232
163 HB3 LYS 16 HB1 LYS 16 49.294 12.517 -3.069
164 HG2 LYS 16 HG2 LYS 16 50.580 13.504 -1.316
165 HG3 LYS 16 HG1 LYS 16 48.904 13.536 -0.719
166 HD2 LYS 16 HD2 LYS 16 49.399 11.297 0.424
167 HD3 LYS 16 HD1 LYS 16 51.110 11.567 0.016
168 HE2 LYS 16 HE2 LYS 16 50.620 12.373 2.301
169 HE3 LYS 16 HE1 LYS 16 51.056 13.729 1.235
170 HZ1 LYS 16 HZ1 LYS 16 48.231 13.063 1.311
171 HZ2 LYS 16 HZ2 LYS 16 48.996 14.580 1.343
172 HZ3 LYS 16 HZ3 LYS 16 48.860 13.663 2.767
173 H LYS 17 HN LYS 17 48.283 11.446 -3.825
174 HA LYS 17 HA LYS 17 45.458 11.411 -4.839
175 HB2 LYS 17 HB2 LYS 17 46.478 14.011 -4.584
176 HB3 LYS 17 HB1 LYS 17 46.954 13.596 -6.240
177 HG2 LYS 17 HG2 LYS 17 44.648 13.077 -6.835
178 HG3 LYS 17 HG1 LYS 17 44.125 13.306 -5.149
179 HD2 LYS 17 HD2 LYS 17 44.612 15.655 -5.212
180 HD3 LYS 17 HD1 LYS 17 45.482 15.505 -6.755
181 HE2 LYS 17 HE2 LYS 17 43.210 16.434 -7.100
182 HE3 LYS 17 HE1 LYS 17 43.378 14.845 -7.885
183 HZ1 LYS 17 HZ1 LYS 17 42.446 13.922 -5.722
184 HZ2 LYS 17 HZ2 LYS 17 41.362 14.746 -6.737
185 HZ3 LYS 17 HZ3 LYS 17 41.985 15.512 -5.355
186 H GLY 18 HN GLY 18 48.094 10.327 -4.193
187 HA2 GLY 18 HA1 GLY 18 48.711 8.322 -5.799
188 HA3 GLY 18 HA2 GLY 18 48.846 9.535 -7.088
189 H ARG 19 HN ARG 19 49.748 10.007 -3.724
190 HA ARG 19 HA ARG 19 52.058 10.073 -2.865
191 HB2 ARG 19 HB2 ARG 19 52.928 9.142 -5.218
192 HB3 ARG 19 HB1 ARG 19 52.999 10.907 -5.695
193 HG2 ARG 19 HG2 ARG 19 54.478 11.289 -3.709
194 HG3 ARG 19 HG1 ARG 19 54.398 9.565 -3.282
195 HD2 ARG 19 HD2 ARG 19 55.516 8.918 -5.311
196 HD3 ARG 19 HD1 ARG 19 55.361 10.553 -5.996
197 HE ARG 19 HE ARG 19 56.820 10.960 -3.676
198 HH11 ARG 19 HH11 ARG 19 58.249 11.525 -6.097
199 HH12 ARG 19 HH12 ARG 19 59.454 10.284 -6.193
200 HH21 ARG 19 HH21 ARG 19 57.868 8.200 -3.920
201 HH22 ARG 19 HH22 ARG 19 59.238 8.402 -4.960
202 H LYS 20 HN LYS 20 50.378 11.691 -5.282
203 HA LYS 20 HA LYS 20 50.676 13.586 -6.227
204 HB2 LYS 20 HB2 LYS 20 49.507 15.164 -5.726
205 HB3 LYS 20 HB1 LYS 20 48.760 13.820 -4.891
206 HG2 LYS 20 HG2 LYS 20 49.132 14.740 -2.735
207 HG3 LYS 20 HG1 LYS 20 50.526 15.670 -3.267
208 HD2 LYS 20 HD2 LYS 20 48.986 17.161 -4.565
209 HD3 LYS 20 HD1 LYS 20 47.612 16.242 -3.909
210 HE2 LYS 20 HE2 LYS 20 48.399 16.805 -1.592
211 HE3 LYS 20 HE1 LYS 20 49.668 17.826 -2.311
212 HZ1 LYS 20 HZ1 LYS 20 48.161 19.362 -3.012
213 HZ2 LYS 20 HZ2 LYS 20 47.331 18.799 -1.640
214 HZ3 LYS 20 HZ3 LYS 20 46.899 18.243 -3.185
215 H ALA 21 HN ALA 21 52.069 13.326 -6.552
216 HA ALA 21 HA ALA 21 53.998 15.194 -6.715
217 HB1 ALA 21 HB1 ALA 21 55.910 14.473 -5.505
218 HB2 ALA 21 HB2 ALA 21 55.257 12.828 -5.316
219 HB3 ALA 21 HB3 ALA 21 54.618 14.160 -4.325
220 H VAL 22 HN VAL 22 51.985 13.000 -7.139
221 HA VAL 22 HA VAL 22 53.402 12.336 -9.738
222 HB VAL 22 HB VAL 22 52.845 10.207 -7.933
223 HG11 VAL 22 HG11 VAL 22 50.358 10.625 -8.499
224 HG12 VAL 22 HG12 VAL 22 50.959 8.977 -8.764
225 HG13 VAL 22 HG13 VAL 22 50.750 10.078 -10.143
226 HG21 VAL 22 HG21 VAL 22 54.399 10.091 -9.814
227 HG22 VAL 22 HG22 VAL 22 53.043 10.158 -10.965
228 HG23 VAL 22 HG23 VAL 22 53.239 8.744 -9.903
229 H ILE 23 HN ILE 23 51.829 14.208 -8.033
230 HA ILE 23 HA ILE 23 50.167 14.874 -10.226
231 HB ILE 23 HB ILE 23 48.605 14.209 -7.718
232 HG12 ILE 23 HG12 ILE 23 48.525 13.210 -10.602
233 HG13 ILE 23 HG11 ILE 23 48.822 12.266 -9.129
234 HG21 ILE 23 HG21 ILE 23 46.646 15.280 -8.798
235 HG22 ILE 23 HG22 ILE 23 47.621 15.655 -10.233
236 HG23 ILE 23 HG23 ILE 23 47.956 16.461 -8.687
237 HD11 ILE 23 HD1 ILE 23 46.588 11.736 -9.683
238 HD12 ILE 23 HD2 ILE 23 46.209 13.408 -10.157
239 HD13 ILE 23 HD3 ILE 23 46.408 12.992 -8.440
240 H ALA 24 HN ALA 24 51.235 15.231 -7.117
241 HA ALA 24 HA ALA 24 51.185 18.160 -7.518
242 HB1 ALA 24 HB1 ALA 24 52.996 16.900 -5.477
243 HB2 ALA 24 HB2 ALA 24 51.250 16.886 -5.139
244 HB3 ALA 24 HB3 ALA 24 52.093 18.425 -5.387
245 H TRP 25 HN TRP 25 52.274 15.200 -8.528
246 HA TRP 25 HA TRP 25 54.077 14.635 -9.945
247 HB2 TRP 25 HB2 TRP 25 53.179 16.486 -11.299
248 HB3 TRP 25 HB1 TRP 25 54.237 17.631 -10.443
249 HD1 TRP 25 HD1 TRP 25 54.570 14.381 -12.536
250 HE1 TRP 25 HE1 TRP 25 56.780 14.484 -13.903
251 HE3 TRP 25 HE3 TRP 25 56.397 18.830 -10.781
252 HZ2 TRP 25 HZ2 TRP 25 59.019 16.276 -14.174
253 HZ3 TRP 25 HZ3 TRP 25 58.571 19.717 -11.608
254 HH2 TRP 25 HH2 TRP 25 59.882 18.445 -13.301
Start of MODEL 5
1 H1 ALA 1 HT1 ALA 1 50.124 4.952 12.537
2 H2 ALA 1 HT2 ALA 1 51.393 3.866 12.223
3 H3 ALA 1 HT3 ALA 1 49.796 3.455 11.813
4 HA ALA 1 HA ALA 1 51.125 5.813 10.677
5 HB1 ALA 1 HB1 ALA 1 51.822 3.021 10.249
6 HB2 ALA 1 HB2 ALA 1 52.529 4.461 9.489
7 HB3 ALA 1 HB3 ALA 1 51.112 3.662 8.739
8 H TRP 2 HN TRP 2 50.352 5.258 8.138
9 HA TRP 2 HA TRP 2 47.662 4.566 7.950
10 HB2 TRP 2 HB2 TRP 2 48.313 7.452 8.005
11 HB3 TRP 2 HB1 TRP 2 46.961 6.921 7.024
12 HD1 TRP 2 HD1 TRP 2 45.574 4.817 8.837
13 HE1 TRP 2 HE1 TRP 2 44.436 5.461 11.074
14 HE3 TRP 2 HE3 TRP 2 47.979 9.260 9.746
15 HZ2 TRP 2 HZ2 TRP 2 44.554 7.609 12.973
16 HZ3 TRP 2 HZ3 TRP 2 47.439 10.586 11.778
17 HH2 TRP 2 HH2 TRP 2 45.727 9.768 13.390
18 H LYS 3 HN LYS 3 48.688 3.136 6.404
19 HA LYS 3 HA LYS 3 49.712 2.722 4.435
20 HB2 LYS 3 HB2 LYS 3 47.747 4.075 3.284
21 HB3 LYS 3 HB1 LYS 3 49.125 5.069 2.857
22 HG2 LYS 3 HG2 LYS 3 49.069 3.604 1.049
23 HG3 LYS 3 HG1 LYS 3 50.241 2.807 2.123
24 HD2 LYS 3 HD2 LYS 3 48.331 1.425 3.056
25 HD3 LYS 3 HD1 LYS 3 47.277 2.144 1.817
26 HE2 LYS 3 HE2 LYS 3 48.981 1.332 0.083
27 HE3 LYS 3 HE1 LYS 3 49.726 0.389 1.395
28 HZ1 LYS 3 HZ1 LYS 3 47.709 -0.799 1.723
29 HZ2 LYS 3 HZ2 LYS 3 48.037 -0.833 0.056
30 HZ3 LYS 3 HZ3 LYS 3 46.847 0.214 0.669
31 H GLU 4 HN GLU 4 50.333 4.725 6.467
32 HA GLU 4 HA GLU 4 52.137 5.262 7.322
33 HB2 GLU 4 HB2 GLU 4 53.620 4.190 5.610
34 HB3 GLU 4 HB1 GLU 4 53.643 5.783 4.817
35 HG2 GLU 4 HG2 GLU 4 54.658 6.806 6.788
36 HG3 GLU 4 HG1 GLU 4 54.510 5.283 7.698
37 H LYS 5 HN LYS 5 50.419 6.426 8.007
38 HA LYS 5 HA LYS 5 50.030 8.629 8.844
39 HB2 LYS 5 HB2 LYS 5 52.731 8.868 8.587
40 HB3 LYS 5 HB1 LYS 5 52.258 9.927 7.239
41 HG2 LYS 5 HG2 LYS 5 50.674 11.088 8.906
42 HG3 LYS 5 HG1 LYS 5 51.538 10.205 10.184
43 HD2 LYS 5 HD2 LYS 5 52.762 12.140 8.166
44 HD3 LYS 5 HD1 LYS 5 52.539 12.428 9.908
45 HE2 LYS 5 HE2 LYS 5 54.440 10.500 8.535
46 HE3 LYS 5 HE1 LYS 5 54.810 11.767 9.727
47 HZ1 LYS 5 HZ1 LYS 5 54.793 10.018 11.126
48 HZ2 LYS 5 HZ2 LYS 5 53.796 9.066 10.133
49 HZ3 LYS 5 HZ3 LYS 5 53.115 10.267 11.122
50 H ILE 6 HN ILE 6 50.387 7.042 6.156
51 HA ILE 6 HA ILE 6 48.953 9.219 4.313
52 HB ILE 6 HB ILE 6 50.491 6.666 3.792
53 HG12 ILE 6 HG12 ILE 6 51.005 9.491 2.815
54 HG13 ILE 6 HG11 ILE 6 51.660 8.866 4.330
55 HG21 ILE 6 HG21 ILE 6 49.425 8.407 1.597
56 HG22 ILE 6 HG22 ILE 6 48.477 7.046 2.191
57 HG23 ILE 6 HG23 ILE 6 50.071 6.763 1.510
58 HD11 ILE 6 HD1 ILE 6 53.352 8.556 2.638
59 HD12 ILE 6 HD2 ILE 6 52.183 7.805 1.531
60 HD13 ILE 6 HD3 ILE 6 52.682 6.951 3.006
61 H ARG 7 HN ARG 7 48.139 5.603 3.841
62 HA ARG 7 HA ARG 7 45.625 5.402 3.368
63 HB2 ARG 7 HB2 ARG 7 46.682 3.844 5.100
64 HB3 ARG 7 HB1 ARG 7 46.109 4.958 6.311
65 HG2 ARG 7 HG2 ARG 7 43.781 4.471 4.935
66 HG3 ARG 7 HG1 ARG 7 44.613 2.911 4.772
67 HD2 ARG 7 HD2 ARG 7 45.014 3.065 7.320
68 HD3 ARG 7 HD1 ARG 7 43.786 4.354 7.307
69 HE ARG 7 HE ARG 7 42.153 2.678 7.000
70 HH11 ARG 7 HH11 ARG 7 41.817 1.056 5.135
71 HH12 ARG 7 HH12 ARG 7 42.818 -0.349 5.273
72 HH21 ARG 7 HH21 ARG 7 44.950 1.072 7.609
73 HH22 ARG 7 HH22 ARG 7 44.593 -0.341 6.673
74 H LYS 8 HN LYS 8 45.829 8.232 3.686
75 HA LYS 8 HA LYS 8 44.028 8.783 5.895
76 HB2 LYS 8 HB2 LYS 8 45.930 10.244 5.964
77 HB3 LYS 8 HB1 LYS 8 45.753 10.600 4.232
78 HG2 LYS 8 HG2 LYS 8 43.735 11.881 4.628
79 HG3 LYS 8 HG1 LYS 8 43.661 11.343 6.324
80 HD2 LYS 8 HD2 LYS 8 45.702 12.553 6.860
81 HD3 LYS 8 HD1 LYS 8 45.962 12.958 5.146
82 HE2 LYS 8 HE2 LYS 8 43.628 13.881 6.880
83 HE3 LYS 8 HE1 LYS 8 44.987 14.885 6.323
84 HZ1 LYS 8 HZ1 LYS 8 43.615 15.335 4.624
85 HZ2 LYS 8 HZ2 LYS 8 42.645 13.964 4.882
86 HZ3 LYS 8 HZ3 LYS 8 44.102 13.827 4.020
87 H LYS 9 HN LYS 9 44.243 8.591 2.701
88 HA LYS 9 HA LYS 9 41.361 9.711 2.559
89 HB2 LYS 9 HB2 LYS 9 43.002 10.312 0.590
90 HB3 LYS 9 HB1 LYS 9 42.764 8.603 0.099
91 HG2 LYS 9 HG2 LYS 9 41.045 9.657 -1.097
92 HG3 LYS 9 HG1 LYS 9 40.171 9.264 0.393
93 HD2 LYS 9 HD2 LYS 9 40.665 11.555 1.264
94 HD3 LYS 9 HD1 LYS 9 41.475 11.938 -0.273
95 HE2 LYS 9 HE2 LYS 9 38.583 11.001 -0.068
96 HE3 LYS 9 HE1 LYS 9 39.067 12.712 -0.150
97 HZ1 LYS 9 HZ1 LYS 9 38.586 12.002 -2.345
98 HZ2 LYS 9 HZ2 LYS 9 39.525 10.595 -2.187
99 HZ3 LYS 9 HZ3 LYS 9 40.275 12.119 -2.241
100 H LEU 10 HN LEU 10 43.381 7.035 3.168
101 HA LEU 10 HA LEU 10 41.762 4.954 3.835
102 HB2 LEU 10 HB2 LEU 10 40.176 5.450 1.991
103 HB3 LEU 10 HB1 LEU 10 41.598 5.469 0.844
104 HG LEU 10 HG LEU 10 41.759 3.044 1.052
105 HD11 LEU 10 HD11 LEU 10 39.958 3.372 3.467
106 HD12 LEU 10 HD12 LEU 10 41.584 2.651 3.393
107 HD13 LEU 10 HD13 LEU 10 40.198 1.792 2.683
108 HD21 LEU 10 HD21 LEU 10 39.829 3.847 -0.317
109 HD22 LEU 10 HD22 LEU 10 38.783 3.665 1.112
110 HD23 LEU 10 HD23 LEU 10 39.551 2.235 0.382
111 H LYS 11 HN LYS 11 43.305 6.157 1.200
112 HA LYS 11 HA LYS 11 45.562 4.482 1.061
113 HB2 LYS 11 HB2 LYS 11 43.409 4.920 -0.751
114 HB3 LYS 11 HB1 LYS 11 44.969 4.580 -1.459
115 HG2 LYS 11 HG2 LYS 11 45.093 2.373 -0.694
116 HG3 LYS 11 HG1 LYS 11 43.907 2.653 0.589
117 HD2 LYS 11 HD2 LYS 11 42.162 3.009 -1.257
118 HD3 LYS 11 HD1 LYS 11 43.396 2.446 -2.407
119 HE2 LYS 11 HE2 LYS 11 43.582 0.309 -1.208
120 HE3 LYS 11 HE1 LYS 11 42.410 0.868 0.009
121 HZ1 LYS 11 HZ1 LYS 11 41.196 1.288 -2.425
122 HZ2 LYS 11 HZ2 LYS 11 40.844 0.052 -1.315
123 HZ3 LYS 11 HZ3 LYS 11 41.940 -0.228 -2.583
124 H ASN 12 HN ASN 12 44.022 6.743 1.301
125 HA ASN 12 HA ASN 12 44.641 9.209 1.219
126 HB2 ASN 12 HB2 ASN 12 46.816 8.332 2.256
127 HB3 ASN 12 HB1 ASN 12 47.459 8.468 0.597
128 HD21 ASN 12 HD21 ASN 12 48.672 10.085 2.491
129 HD22 ASN 12 HD22 ASN 12 48.134 11.757 2.291
130 H GLU 13 HN GLU 13 44.085 7.177 -0.787
131 HA GLU 13 HA GLU 13 43.573 7.287 -3.083
132 HB2 GLU 13 HB2 GLU 13 44.198 9.880 -2.905
133 HB3 GLU 13 HB1 GLU 13 45.777 9.335 -3.545
134 HG2 GLU 13 HG2 GLU 13 44.431 9.922 -5.468
135 HG3 GLU 13 HG1 GLU 13 44.441 8.146 -5.402
136 H ILE 14 HN ILE 14 45.688 5.841 -1.303
137 HA ILE 14 HA ILE 14 47.209 4.192 -1.964
138 HB ILE 14 HB ILE 14 47.796 5.603 -4.618
139 HG12 ILE 14 HG12 ILE 14 46.236 2.998 -4.441
140 HG13 ILE 14 HG11 ILE 14 45.346 4.505 -4.170
141 HG21 ILE 14 HG21 ILE 14 48.757 3.333 -5.145
142 HG22 ILE 14 HG22 ILE 14 48.499 2.891 -3.442
143 HG23 ILE 14 HG23 ILE 14 49.610 4.217 -3.862
144 HD11 ILE 14 HD1 ILE 14 46.998 3.807 -6.637
145 HD12 ILE 14 HD2 ILE 14 46.205 5.375 -6.358
146 HD13 ILE 14 HD3 ILE 14 45.225 3.902 -6.537
147 H LYS 15 HN LYS 15 47.502 7.694 -2.163
148 HA LYS 15 HA LYS 15 49.837 7.480 -0.486
149 HB2 LYS 15 HB2 LYS 15 50.593 7.117 -3.067
150 HB3 LYS 15 HB1 LYS 15 50.671 8.894 -2.949
151 HG2 LYS 15 HG2 LYS 15 52.854 8.256 -2.281
152 HG3 LYS 15 HG1 LYS 15 52.023 8.433 -0.725
153 HD2 LYS 15 HD2 LYS 15 51.675 6.018 -0.574
154 HD3 LYS 15 HD1 LYS 15 52.328 5.785 -2.214
155 HE2 LYS 15 HE2 LYS 15 54.524 6.584 -1.504
156 HE3 LYS 15 HE1 LYS 15 53.896 6.971 0.116
157 HZ1 LYS 15 HZ1 LYS 15 53.213 4.327 -0.418
158 HZ2 LYS 15 HZ2 LYS 15 54.355 4.899 0.703
159 HZ3 LYS 15 HZ3 LYS 15 54.837 4.495 -0.876
160 H LYS 16 HN LYS 16 47.914 9.511 -2.553
161 HA LYS 16 HA LYS 16 47.757 11.390 -0.715
162 HB2 LYS 16 HB2 LYS 16 50.049 12.023 -1.034
163 HB3 LYS 16 HB1 LYS 16 49.588 12.227 -2.734
164 HG2 LYS 16 HG2 LYS 16 49.744 14.398 -1.367
165 HG3 LYS 16 HG1 LYS 16 48.209 14.147 -2.225
166 HD2 LYS 16 HD2 LYS 16 47.050 13.579 -0.231
167 HD3 LYS 16 HD1 LYS 16 48.556 13.240 0.656
168 HE2 LYS 16 HE2 LYS 16 47.455 15.427 1.289
169 HE3 LYS 16 HE1 LYS 16 49.128 15.602 0.708
170 HZ1 LYS 16 HZ1 LYS 16 47.444 15.696 -1.516
171 HZ2 LYS 16 HZ2 LYS 16 48.375 16.955 -0.858
172 HZ3 LYS 16 HZ3 LYS 16 46.770 16.728 -0.350
173 H LYS 17 HN LYS 17 48.296 11.251 -3.405
174 HA LYS 17 HA LYS 17 45.469 11.710 -4.350
175 HB2 LYS 17 HB2 LYS 17 46.861 13.966 -4.361
176 HB3 LYS 17 HB1 LYS 17 47.695 13.243 -5.741
177 HG2 LYS 17 HG2 LYS 17 45.947 14.363 -6.841
178 HG3 LYS 17 HG1 LYS 17 45.205 12.767 -6.604
179 HD2 LYS 17 HD2 LYS 17 44.076 13.584 -4.557
180 HD3 LYS 17 HD1 LYS 17 44.855 15.171 -4.752
181 HE2 LYS 17 HE2 LYS 17 42.590 15.286 -5.655
182 HE3 LYS 17 HE1 LYS 17 43.752 15.380 -7.000
183 HZ1 LYS 17 HZ1 LYS 17 41.751 13.422 -6.483
184 HZ2 LYS 17 HZ2 LYS 17 43.280 12.692 -6.599
185 HZ3 LYS 17 HZ3 LYS 17 42.694 13.651 -7.873
186 H GLY 18 HN GLY 18 48.140 10.118 -3.771
187 HA2 GLY 18 HA1 GLY 18 47.806 7.966 -5.555
188 HA3 GLY 18 HA2 GLY 18 48.448 9.183 -6.683
189 H ARG 19 HN ARG 19 50.205 10.442 -5.336
190 HA ARG 19 HA ARG 19 52.346 8.526 -4.529
191 HB2 ARG 19 HB2 ARG 19 51.990 8.692 -7.114
192 HB3 ARG 19 HB1 ARG 19 52.502 10.421 -6.947
193 HG2 ARG 19 HG2 ARG 19 54.553 9.328 -7.427
194 HG3 ARG 19 HG1 ARG 19 54.586 9.310 -5.653
195 HD2 ARG 19 HD2 ARG 19 53.703 6.990 -5.658
196 HD3 ARG 19 HD1 ARG 19 53.653 7.015 -7.437
197 HE ARG 19 HE ARG 19 56.299 7.672 -6.680
198 HH11 ARG 19 HH11 ARG 19 55.353 5.533 -4.618
199 HH12 ARG 19 HH12 ARG 19 55.985 4.102 -5.364
200 HH21 ARG 19 HH21 ARG 19 56.562 5.630 -8.422
201 HH22 ARG 19 HH22 ARG 19 56.669 4.157 -7.517
202 H LYS 20 HN LYS 20 50.898 11.412 -5.338
203 HA LYS 20 HA LYS 20 51.218 13.543 -5.142
204 HB2 LYS 20 HB2 LYS 20 52.558 14.573 -3.575
205 HB3 LYS 20 HB1 LYS 20 51.208 13.677 -2.981
206 HG2 LYS 20 HG2 LYS 20 52.697 11.848 -2.191
207 HG3 LYS 20 HG1 LYS 20 54.100 12.737 -2.839
208 HD2 LYS 20 HD2 LYS 20 53.558 14.631 -1.296
209 HD3 LYS 20 HD1 LYS 20 52.254 13.644 -0.594
210 HE2 LYS 20 HE2 LYS 20 53.913 11.902 0.027
211 HE3 LYS 20 HE1 LYS 20 55.214 12.908 -0.654
212 HZ1 LYS 20 HZ1 LYS 20 55.326 13.709 1.422
213 HZ2 LYS 20 HZ2 LYS 20 53.765 13.184 1.842
214 HZ3 LYS 20 HZ3 LYS 20 53.976 14.637 0.986
215 H ALA 21 HN ALA 21 51.719 12.983 -6.644
216 HA ALA 21 HA ALA 21 53.769 14.146 -7.933
217 HB1 ALA 21 HB1 ALA 21 54.162 11.297 -8.670
218 HB2 ALA 21 HB2 ALA 21 54.767 11.658 -7.036
219 HB3 ALA 21 HB3 ALA 21 55.407 12.548 -8.436
220 H VAL 22 HN VAL 22 51.356 12.906 -6.693
221 HA VAL 22 HA VAL 22 49.902 13.223 -9.367
222 HB VAL 22 HB VAL 22 48.942 11.430 -7.078
223 HG11 VAL 22 HG11 VAL 22 47.730 12.357 -9.720
224 HG12 VAL 22 HG12 VAL 22 47.028 12.470 -8.091
225 HG13 VAL 22 HG13 VAL 22 47.145 10.894 -8.898
226 HG21 VAL 22 HG21 VAL 22 50.647 10.233 -8.323
227 HG22 VAL 22 HG22 VAL 22 49.996 10.801 -9.873
228 HG23 VAL 22 HG23 VAL 22 49.086 9.624 -8.899
229 H ILE 23 HN ILE 23 51.279 14.461 -6.874
230 HA ILE 23 HA ILE 23 49.263 16.507 -6.875
231 HB ILE 23 HB ILE 23 49.180 14.827 -4.500
232 HG12 ILE 23 HG12 ILE 23 47.227 15.963 -5.639
233 HG13 ILE 23 HG11 ILE 23 47.260 16.167 -3.873
234 HG21 ILE 23 HG21 ILE 23 50.960 16.198 -3.538
235 HG22 ILE 23 HG22 ILE 23 49.431 16.586 -2.734
236 HG23 ILE 23 HG23 ILE 23 50.103 17.692 -3.952
237 HD11 ILE 23 HD1 ILE 23 47.852 18.434 -4.001
238 HD12 ILE 23 HD2 ILE 23 46.783 18.263 -5.411
239 HD13 ILE 23 HD3 ILE 23 48.547 18.281 -5.629
240 H ALA 24 HN ALA 24 52.113 15.102 -5.965
241 HA ALA 24 HA ALA 24 53.376 17.761 -6.019
242 HB1 ALA 24 HB1 ALA 24 54.974 15.228 -6.335
243 HB2 ALA 24 HB2 ALA 24 54.330 15.618 -4.727
244 HB3 ALA 24 HB3 ALA 24 55.429 16.747 -5.542
245 H TRP 25 HN TRP 25 51.649 15.492 -7.705
246 HA TRP 25 HA TRP 25 51.355 15.245 -10.037
247 HB2 TRP 25 HB2 TRP 25 51.089 17.730 -9.847
248 HB3 TRP 25 HB1 TRP 25 52.804 17.905 -10.285
249 HD1 TRP 25 HD1 TRP 25 49.405 16.971 -11.720
250 HE1 TRP 25 HE1 TRP 25 49.547 16.834 -14.313
251 HE3 TRP 25 HE3 TRP 25 54.477 17.404 -12.275
252 HZ2 TRP 25 HZ2 TRP 25 51.604 16.906 -16.326
253 HZ3 TRP 25 HZ3 TRP 25 55.507 17.368 -14.541
254 HH2 TRP 25 HH2 TRP 25 54.076 17.120 -16.565
Start of MODEL 6
1 H1 ALA 1 HT1 ALA 1 46.238 5.536 8.241
2 H2 ALA 1 HT2 ALA 1 46.295 5.678 9.934
3 H3 ALA 1 HT3 ALA 1 46.984 4.328 9.166
4 HA ALA 1 HA ALA 1 48.800 5.583 9.657
5 HB1 ALA 1 HB1 ALA 1 49.198 5.066 7.421
6 HB2 ALA 1 HB2 ALA 1 49.225 6.846 7.313
7 HB3 ALA 1 HB3 ALA 1 47.763 5.948 6.868
8 H TRP 2 HN TRP 2 48.054 8.068 7.457
9 HA TRP 2 HA TRP 2 47.118 9.969 9.355
10 HB2 TRP 2 HB2 TRP 2 49.781 9.608 9.441
11 HB3 TRP 2 HB1 TRP 2 49.632 10.880 8.245
12 HD1 TRP 2 HD1 TRP 2 50.959 11.166 11.135
13 HE1 TRP 2 HE1 TRP 2 50.140 12.980 12.791
14 HE3 TRP 2 HE3 TRP 2 46.227 12.034 9.225
15 HZ2 TRP 2 HZ2 TRP 2 47.802 14.558 13.220
16 HZ3 TRP 2 HZ3 TRP 2 44.757 13.701 10.297
17 HH2 TRP 2 HH2 TRP 2 45.532 14.966 12.290
18 H LYS 3 HN LYS 3 47.544 8.730 6.352
19 HA LYS 3 HA LYS 3 47.223 9.572 4.212
20 HB2 LYS 3 HB2 LYS 3 45.130 10.404 4.425
21 HB3 LYS 3 HB1 LYS 3 45.519 11.414 5.836
22 HG2 LYS 3 HG2 LYS 3 46.607 13.080 4.427
23 HG3 LYS 3 HG1 LYS 3 46.444 12.032 2.994
24 HD2 LYS 3 HD2 LYS 3 44.036 12.239 3.032
25 HD3 LYS 3 HD1 LYS 3 44.073 13.047 4.616
26 HE2 LYS 3 HE2 LYS 3 45.394 14.167 2.108
27 HE3 LYS 3 HE1 LYS 3 43.763 14.623 2.658
28 HZ1 LYS 3 HZ1 LYS 3 45.402 16.185 3.468
29 HZ2 LYS 3 HZ2 LYS 3 46.293 14.937 4.199
30 HZ3 LYS 3 HZ3 LYS 3 44.742 15.326 4.773
31 H GLU 4 HN GLU 4 49.084 10.264 6.523
32 HA GLU 4 HA GLU 4 50.975 11.809 5.027
33 HB2 GLU 4 HB2 GLU 4 49.565 13.086 7.154
34 HB3 GLU 4 HB1 GLU 4 51.145 12.649 7.841
35 HG2 GLU 4 HG2 GLU 4 52.271 13.794 5.933
36 HG3 GLU 4 HG1 GLU 4 50.678 14.272 5.297
37 H LYS 5 HN LYS 5 49.938 9.499 7.649
38 HA LYS 5 HA LYS 5 52.877 8.578 7.487
39 HB2 LYS 5 HB2 LYS 5 50.459 7.534 9.052
40 HB3 LYS 5 HB1 LYS 5 51.878 6.536 8.737
41 HG2 LYS 5 HG2 LYS 5 53.319 8.046 9.923
42 HG3 LYS 5 HG1 LYS 5 52.047 9.283 10.030
43 HD2 LYS 5 HD2 LYS 5 50.695 7.796 11.462
44 HD3 LYS 5 HD1 LYS 5 51.936 6.525 11.329
45 HE2 LYS 5 HE2 LYS 5 52.394 9.308 12.496
46 HE3 LYS 5 HE1 LYS 5 52.149 7.825 13.450
47 HZ1 LYS 5 HZ1 LYS 5 54.458 8.096 13.282
48 HZ2 LYS 5 HZ2 LYS 5 54.397 8.491 11.630
49 HZ3 LYS 5 HZ3 LYS 5 54.090 6.898 12.139
50 H ILE 6 HN ILE 6 50.252 9.356 5.939
51 HA ILE 6 HA ILE 6 49.177 8.756 4.030
52 HB ILE 6 HB ILE 6 50.325 7.502 2.226
53 HG12 ILE 6 HG12 ILE 6 52.713 7.284 4.120
54 HG13 ILE 6 HG11 ILE 6 51.617 5.922 3.808
55 HG21 ILE 6 HG21 ILE 6 52.047 9.179 1.888
56 HG22 ILE 6 HG22 ILE 6 52.128 9.516 3.633
57 HG23 ILE 6 HG23 ILE 6 50.674 9.950 2.706
58 HD11 ILE 6 HD1 ILE 6 53.377 5.603 2.263
59 HD12 ILE 6 HD2 ILE 6 53.480 7.334 1.880
60 HD13 ILE 6 HD3 ILE 6 52.106 6.372 1.287
61 H ARG 7 HN ARG 7 47.371 7.867 3.949
62 HA ARG 7 HA ARG 7 46.074 5.922 3.240
63 HB2 ARG 7 HB2 ARG 7 47.995 4.328 3.477
64 HB3 ARG 7 HB1 ARG 7 47.675 4.285 5.221
65 HG2 ARG 7 HG2 ARG 7 45.552 3.250 4.925
66 HG3 ARG 7 HG1 ARG 7 45.494 3.672 3.203
67 HD2 ARG 7 HD2 ARG 7 47.590 1.810 4.379
68 HD3 ARG 7 HD1 ARG 7 46.041 1.233 3.719
69 HE ARG 7 HE ARG 7 47.390 2.941 1.815
70 HH11 ARG 7 HH11 ARG 7 49.512 0.972 2.762
71 HH12 ARG 7 HH12 ARG 7 49.307 -0.317 1.623
72 HH21 ARG 7 HH21 ARG 7 46.199 0.777 0.543
73 HH22 ARG 7 HH22 ARG 7 47.431 -0.428 0.367
74 H LYS 8 HN LYS 8 45.324 7.891 4.469
75 HA LYS 8 HA LYS 8 43.700 6.701 6.598
76 HB2 LYS 8 HB2 LYS 8 45.671 8.119 7.604
77 HB3 LYS 8 HB1 LYS 8 44.771 9.513 6.978
78 HG2 LYS 8 HG2 LYS 8 43.882 9.368 9.142
79 HG3 LYS 8 HG1 LYS 8 42.711 8.379 8.243
80 HD2 LYS 8 HD2 LYS 8 43.992 6.325 8.887
81 HD3 LYS 8 HD1 LYS 8 45.111 7.343 9.824
82 HE2 LYS 8 HE2 LYS 8 42.112 7.050 10.291
83 HE3 LYS 8 HE1 LYS 8 43.410 6.396 11.318
84 HZ1 LYS 8 HZ1 LYS 8 44.179 8.691 11.667
85 HZ2 LYS 8 HZ2 LYS 8 42.595 8.452 12.233
86 HZ3 LYS 8 HZ3 LYS 8 42.862 9.271 10.769
87 H LYS 9 HN LYS 9 44.185 8.454 3.804
88 HA LYS 9 HA LYS 9 41.567 9.879 4.010
89 HB2 LYS 9 HB2 LYS 9 43.444 10.150 2.123
90 HB3 LYS 9 HB1 LYS 9 42.496 8.831 1.332
91 HG2 LYS 9 HG2 LYS 9 41.421 11.549 2.327
92 HG3 LYS 9 HG1 LYS 9 41.840 11.178 0.641
93 HD2 LYS 9 HD2 LYS 9 40.143 9.187 0.911
94 HD3 LYS 9 HD1 LYS 9 39.554 10.107 2.320
95 HE2 LYS 9 HE2 LYS 9 38.210 10.795 0.454
96 HE3 LYS 9 HE1 LYS 9 39.346 12.125 0.783
97 HZ1 LYS 9 HZ1 LYS 9 39.232 11.618 -1.577
98 HZ2 LYS 9 HZ2 LYS 9 39.691 10.010 -1.286
99 HZ3 LYS 9 HZ3 LYS 9 40.779 11.277 -0.972
100 H LEU 10 HN LEU 10 42.936 6.828 3.745
101 HA LEU 10 HA LEU 10 40.927 5.030 4.239
102 HB2 LEU 10 HB2 LEU 10 40.736 6.243 1.476
103 HB3 LEU 10 HB1 LEU 10 40.389 4.510 1.641
104 HG LEU 10 HG LEU 10 38.913 6.309 3.587
105 HD11 LEU 10 HD11 LEU 10 37.152 6.795 2.010
106 HD12 LEU 10 HD12 LEU 10 37.905 5.782 0.756
107 HD13 LEU 10 HD13 LEU 10 38.660 7.319 1.227
108 HD21 LEU 10 HD21 LEU 10 38.156 3.793 2.045
109 HD22 LEU 10 HD22 LEU 10 37.207 4.563 3.339
110 HD23 LEU 10 HD23 LEU 10 38.787 3.830 3.709
111 H LYS 11 HN LYS 11 42.471 6.088 1.422
112 HA LYS 11 HA LYS 11 44.361 3.944 1.176
113 HB2 LYS 11 HB2 LYS 11 42.838 5.306 -0.818
114 HB3 LYS 11 HB1 LYS 11 43.923 3.925 -1.163
115 HG2 LYS 11 HG2 LYS 11 42.012 3.006 0.793
116 HG3 LYS 11 HG1 LYS 11 41.091 3.857 -0.464
117 HD2 LYS 11 HD2 LYS 11 42.242 2.469 -2.197
118 HD3 LYS 11 HD1 LYS 11 43.063 1.573 -0.896
119 HE2 LYS 11 HE2 LYS 11 41.027 0.378 -1.669
120 HE3 LYS 11 HE1 LYS 11 40.874 0.889 0.028
121 HZ1 LYS 11 HZ1 LYS 11 38.984 1.360 -1.708
122 HZ2 LYS 11 HZ2 LYS 11 39.940 2.716 -2.075
123 HZ3 LYS 11 HZ3 LYS 11 39.355 2.489 -0.497
124 H ASN 12 HN ASN 12 43.527 6.522 1.589
125 HA ASN 12 HA ASN 12 44.744 8.739 1.678
126 HB2 ASN 12 HB2 ASN 12 46.895 7.844 2.320
127 HB3 ASN 12 HB1 ASN 12 47.171 7.225 0.711
128 HD21 ASN 12 HD21 ASN 12 49.148 8.832 1.478
129 HD22 ASN 12 HD22 ASN 12 48.974 10.457 0.810
130 H GLU 13 HN GLU 13 43.133 7.308 0.007
131 HA GLU 13 HA GLU 13 42.356 7.233 -2.197
132 HB2 GLU 13 HB2 GLU 13 44.385 9.389 -2.925
133 HB3 GLU 13 HB1 GLU 13 42.801 9.055 -3.675
134 HG2 GLU 13 HG2 GLU 13 41.764 9.671 -1.391
135 HG3 GLU 13 HG1 GLU 13 43.365 10.312 -0.959
136 H ILE 14 HN ILE 14 44.544 5.492 -1.071
137 HA ILE 14 HA ILE 14 46.030 3.977 -2.071
138 HB ILE 14 HB ILE 14 46.111 5.524 -4.710
139 HG12 ILE 14 HG12 ILE 14 44.253 3.256 -3.834
140 HG13 ILE 14 HG11 ILE 14 43.755 4.884 -4.335
141 HG21 ILE 14 HG21 ILE 14 47.055 3.516 -5.587
142 HG22 ILE 14 HG22 ILE 14 46.614 2.583 -4.135
143 HG23 ILE 14 HG23 ILE 14 47.901 3.809 -4.051
144 HD11 ILE 14 HD1 ILE 14 44.905 2.654 -6.036
145 HD12 ILE 14 HD2 ILE 14 44.978 4.349 -6.578
146 HD13 ILE 14 HD3 ILE 14 43.403 3.577 -6.276
147 H LYS 15 HN LYS 15 46.287 7.456 -2.475
148 HA LYS 15 HA LYS 15 48.537 7.790 -0.915
149 HB2 LYS 15 HB2 LYS 15 49.312 6.946 -3.624
150 HB3 LYS 15 HB1 LYS 15 49.883 8.596 -3.204
151 HG2 LYS 15 HG2 LYS 15 50.917 7.700 -1.135
152 HG3 LYS 15 HG1 LYS 15 50.378 6.060 -1.548
153 HD2 LYS 15 HD2 LYS 15 52.201 7.775 -3.293
154 HD3 LYS 15 HD1 LYS 15 52.772 6.513 -2.178
155 HE2 LYS 15 HE2 LYS 15 52.657 5.292 -4.170
156 HE3 LYS 15 HE1 LYS 15 51.019 4.998 -3.544
157 HZ1 LYS 15 HZ1 LYS 15 51.575 6.006 -5.971
158 HZ2 LYS 15 HZ2 LYS 15 51.321 7.435 -5.086
159 HZ3 LYS 15 HZ3 LYS 15 50.109 6.245 -5.150
160 H LYS 16 HN LYS 16 49.021 9.794 -0.696
161 HA LYS 16 HA LYS 16 47.901 11.846 -0.845
162 HB2 LYS 16 HB2 LYS 16 50.007 12.041 -2.689
163 HB3 LYS 16 HB1 LYS 16 49.448 13.372 -1.688
164 HG2 LYS 16 HG2 LYS 16 50.591 10.777 -0.563
165 HG3 LYS 16 HG1 LYS 16 51.588 12.199 -0.907
166 HD2 LYS 16 HD2 LYS 16 49.178 12.238 0.980
167 HD3 LYS 16 HD1 LYS 16 50.848 11.988 1.507
168 HE2 LYS 16 HE2 LYS 16 51.340 14.231 0.234
169 HE3 LYS 16 HE1 LYS 16 49.581 14.482 0.354
170 HZ1 LYS 16 HZ1 LYS 16 49.788 14.992 2.483
171 HZ2 LYS 16 HZ2 LYS 16 51.477 14.959 2.301
172 HZ3 LYS 16 HZ3 LYS 16 50.648 13.569 2.820
173 H LYS 17 HN LYS 17 48.755 11.774 -3.465
174 HA LYS 17 HA LYS 17 46.053 12.108 -4.770
175 HB2 LYS 17 HB2 LYS 17 48.387 13.926 -5.513
176 HB3 LYS 17 HB1 LYS 17 46.736 13.977 -6.153
177 HG2 LYS 17 HG2 LYS 17 47.396 14.478 -3.217
178 HG3 LYS 17 HG1 LYS 17 47.298 15.774 -4.417
179 HD2 LYS 17 HD2 LYS 17 44.955 14.970 -4.978
180 HD3 LYS 17 HD1 LYS 17 45.068 13.877 -3.580
181 HE2 LYS 17 HE2 LYS 17 45.287 16.915 -3.539
182 HE3 LYS 17 HE1 LYS 17 43.957 15.932 -2.881
183 HZ1 LYS 17 HZ1 LYS 17 46.421 16.630 -1.673
184 HZ2 LYS 17 HZ2 LYS 17 46.305 14.939 -1.784
185 HZ3 LYS 17 HZ3 LYS 17 45.090 15.828 -0.994
186 H GLY 18 HN GLY 18 48.524 10.594 -3.867
187 HA2 GLY 18 HA1 GLY 18 49.000 8.483 -5.315
188 HA3 GLY 18 HA2 GLY 18 49.217 9.565 -6.704
189 H ARG 19 HN ARG 19 50.180 10.432 -3.503
190 HA ARG 19 HA ARG 19 52.595 10.094 -2.674
191 HB2 ARG 19 HB2 ARG 19 53.442 9.351 -5.006
192 HB3 ARG 19 HB1 ARG 19 53.216 11.097 -5.569
193 HG2 ARG 19 HG2 ARG 19 54.946 11.811 -4.066
194 HG3 ARG 19 HG1 ARG 19 54.895 10.341 -3.077
195 HD2 ARG 19 HD2 ARG 19 56.080 9.064 -4.662
196 HD3 ARG 19 HD1 ARG 19 55.667 10.152 -6.007
197 HE ARG 19 HE ARG 19 57.596 11.385 -5.460
198 HH11 ARG 19 HH11 ARG 19 58.289 12.747 -3.564
199 HH12 ARG 19 HH12 ARG 19 58.789 11.844 -2.174
200 HH21 ARG 19 HH21 ARG 19 57.450 8.853 -3.305
201 HH22 ARG 19 HH22 ARG 19 58.315 9.639 -2.027
202 H LYS 20 HN LYS 20 51.113 11.906 -5.004
203 HA LYS 20 HA LYS 20 51.029 13.876 -5.729
204 HB2 LYS 20 HB2 LYS 20 50.626 15.669 -4.705
205 HB3 LYS 20 HB1 LYS 20 49.756 14.406 -3.836
206 HG2 LYS 20 HG2 LYS 20 51.628 14.458 -2.077
207 HG3 LYS 20 HG1 LYS 20 52.204 15.941 -2.852
208 HD2 LYS 20 HD2 LYS 20 49.333 15.680 -1.899
209 HD3 LYS 20 HD1 LYS 20 50.637 16.235 -0.827
210 HE2 LYS 20 HE2 LYS 20 49.830 17.511 -3.479
211 HE3 LYS 20 HE1 LYS 20 49.496 18.157 -1.858
212 HZ1 LYS 20 HZ1 LYS 20 52.151 17.774 -3.137
213 HZ2 LYS 20 HZ2 LYS 20 51.949 18.145 -1.492
214 HZ3 LYS 20 HZ3 LYS 20 51.423 19.237 -2.683
215 H ALA 21 HN ALA 21 52.330 13.485 -6.551
216 HA ALA 21 HA ALA 21 54.346 15.066 -7.131
217 HB1 ALA 21 HB1 ALA 21 56.422 14.012 -6.612
218 HB2 ALA 21 HB2 ALA 21 55.614 12.482 -6.212
219 HB3 ALA 21 HB3 ALA 21 55.533 13.853 -5.082
220 H VAL 22 HN VAL 22 52.042 13.195 -6.879
221 HA VAL 22 HA VAL 22 52.483 12.308 -9.752
222 HB VAL 22 HB VAL 22 50.835 10.908 -7.619
223 HG11 VAL 22 HG11 VAL 22 50.216 9.375 -9.668
224 HG12 VAL 22 HG12 VAL 22 50.660 10.797 -10.641
225 HG13 VAL 22 HG13 VAL 22 49.342 10.907 -9.450
226 HG21 VAL 22 HG21 VAL 22 52.136 8.897 -8.384
227 HG22 VAL 22 HG22 VAL 22 53.190 10.183 -7.751
228 HG23 VAL 22 HG23 VAL 22 53.030 9.949 -9.506
229 H ILE 23 HN ILE 23 51.747 14.529 -7.734
230 HA ILE 23 HA ILE 23 50.026 15.586 -9.713
231 HB ILE 23 HB ILE 23 48.464 14.328 -7.711
232 HG12 ILE 23 HG12 ILE 23 47.817 14.835 -10.080
233 HG13 ILE 23 HG11 ILE 23 46.548 15.210 -8.894
234 HG21 ILE 23 HG21 ILE 23 47.186 16.240 -6.715
235 HG22 ILE 23 HG22 ILE 23 48.405 17.362 -7.352
236 HG23 ILE 23 HG23 ILE 23 48.861 16.155 -6.136
237 HD11 ILE 23 HD1 ILE 23 47.114 16.972 -10.778
238 HD12 ILE 23 HD2 ILE 23 48.502 17.375 -9.740
239 HD13 ILE 23 HD3 ILE 23 46.844 17.539 -9.114
240 H ALA 24 HN ALA 24 51.769 15.486 -6.911
241 HA ALA 24 HA ALA 24 52.117 18.382 -7.128
242 HB1 ALA 24 HB1 ALA 24 53.591 18.345 -5.326
243 HB2 ALA 24 HB2 ALA 24 54.149 16.709 -5.696
244 HB3 ALA 24 HB3 ALA 24 52.580 16.955 -4.914
245 H TRP 25 HN TRP 25 52.458 15.384 -8.510
246 HA TRP 25 HA TRP 25 53.848 16.614 -10.794
247 HB2 TRP 25 HB2 TRP 25 55.699 15.117 -8.917
248 HB3 TRP 25 HB1 TRP 25 55.953 14.962 -10.658
249 HD1 TRP 25 HD1 TRP 25 55.919 17.519 -11.950
250 HE1 TRP 25 HE1 TRP 25 57.251 19.636 -11.239
251 HE3 TRP 25 HE3 TRP 25 56.768 16.329 -7.043
252 HZ2 TRP 25 HZ2 TRP 25 58.504 20.647 -8.851
253 HZ3 TRP 25 HZ3 TRP 25 58.033 17.885 -5.567
254 HH2 TRP 25 HH2 TRP 25 58.901 20.040 -6.465
Start of MODEL 7
1 H1 ALA 1 HT1 ALA 1 52.086 0.414 9.175
2 H2 ALA 1 HT2 ALA 1 50.468 0.600 9.658
3 H3 ALA 1 HT3 ALA 1 51.728 0.908 10.756
4 HA ALA 1 HA ALA 1 51.696 2.992 10.191
5 HB1 ALA 1 HB1 ALA 1 52.195 2.164 7.315
6 HB2 ALA 1 HB2 ALA 1 53.449 2.021 8.576
7 HB3 ALA 1 HB3 ALA 1 52.771 3.617 8.170
8 H TRP 2 HN TRP 2 51.030 4.197 7.612
9 HA TRP 2 HA TRP 2 48.198 3.542 7.332
10 HB2 TRP 2 HB2 TRP 2 49.091 6.355 7.307
11 HB3 TRP 2 HB1 TRP 2 47.438 5.769 7.328
12 HD1 TRP 2 HD1 TRP 2 46.307 5.777 9.560
13 HE1 TRP 2 HE1 TRP 2 46.997 5.805 12.061
14 HE3 TRP 2 HE3 TRP 2 51.417 5.408 9.031
15 HZ2 TRP 2 HZ2 TRP 2 49.416 5.692 13.591
16 HZ3 TRP 2 HZ3 TRP 2 52.874 5.380 11.034
17 HH2 TRP 2 HH2 TRP 2 51.885 5.517 13.313
18 H LYS 3 HN LYS 3 49.210 2.295 5.621
19 HA LYS 3 HA LYS 3 49.516 2.077 3.357
20 HB2 LYS 3 HB2 LYS 3 48.263 3.850 2.366
21 HB3 LYS 3 HB1 LYS 3 49.446 4.968 3.000
22 HG2 LYS 3 HG2 LYS 3 49.682 4.450 0.536
23 HG3 LYS 3 HG1 LYS 3 51.155 4.253 1.511
24 HD2 LYS 3 HD2 LYS 3 50.964 1.876 1.517
25 HD3 LYS 3 HD1 LYS 3 49.263 1.928 0.991
26 HE2 LYS 3 HE2 LYS 3 50.948 1.289 -0.819
27 HE3 LYS 3 HE1 LYS 3 49.887 2.660 -1.221
28 HZ1 LYS 3 HZ1 LYS 3 51.615 4.047 -1.282
29 HZ2 LYS 3 HZ2 LYS 3 52.608 2.669 -1.316
30 HZ3 LYS 3 HZ3 LYS 3 52.284 3.450 0.158
31 H GLU 4 HN GLU 4 50.614 4.962 4.539
32 HA GLU 4 HA GLU 4 52.670 4.207 5.846
33 HB2 GLU 4 HB2 GLU 4 53.737 3.803 3.470
34 HB3 GLU 4 HB1 GLU 4 54.003 5.556 3.563
35 HG2 GLU 4 HG2 GLU 4 54.944 3.588 5.696
36 HG3 GLU 4 HG1 GLU 4 55.964 4.164 4.356
37 H LYS 5 HN LYS 5 50.990 5.325 7.006
38 HA LYS 5 HA LYS 5 50.792 7.424 8.211
39 HB2 LYS 5 HB2 LYS 5 53.522 7.559 7.694
40 HB3 LYS 5 HB1 LYS 5 52.941 8.916 6.704
41 HG2 LYS 5 HG2 LYS 5 51.747 9.828 8.703
42 HG3 LYS 5 HG1 LYS 5 52.412 8.499 9.682
43 HD2 LYS 5 HD2 LYS 5 54.725 9.248 9.030
44 HD3 LYS 5 HD1 LYS 5 53.995 10.649 8.210
45 HE2 LYS 5 HE2 LYS 5 52.925 11.317 10.371
46 HE3 LYS 5 HE1 LYS 5 53.755 9.962 11.172
47 HZ1 LYS 5 HZ1 LYS 5 55.864 10.988 10.200
48 HZ2 LYS 5 HZ2 LYS 5 55.141 11.786 11.514
49 HZ3 LYS 5 HZ3 LYS 5 54.936 12.382 9.936
50 H ILE 6 HN ILE 6 50.898 6.219 5.242
51 HA ILE 6 HA ILE 6 49.549 8.722 3.929
52 HB ILE 6 HB ILE 6 50.984 6.262 2.871
53 HG12 ILE 6 HG12 ILE 6 51.160 9.224 2.256
54 HG13 ILE 6 HG11 ILE 6 52.176 8.355 3.424
55 HG21 ILE 6 HG21 ILE 6 50.308 6.697 0.622
56 HG22 ILE 6 HG22 ILE 6 49.394 8.138 1.094
57 HG23 ILE 6 HG23 ILE 6 48.810 6.521 1.540
58 HD11 ILE 6 HD1 ILE 6 52.718 6.772 1.372
59 HD12 ILE 6 HD2 ILE 6 53.525 8.351 1.492
60 HD13 ILE 6 HD3 ILE 6 52.139 8.146 0.398
61 H ARG 7 HN ARG 7 48.228 5.143 3.479
62 HA ARG 7 HA ARG 7 45.708 5.801 3.050
63 HB2 ARG 7 HB2 ARG 7 45.721 3.548 3.249
64 HB3 ARG 7 HB1 ARG 7 47.117 3.589 4.295
65 HG2 ARG 7 HG2 ARG 7 45.818 3.692 6.284
66 HG3 ARG 7 HG1 ARG 7 44.326 4.076 5.395
67 HD2 ARG 7 HD2 ARG 7 44.217 1.743 5.999
68 HD3 ARG 7 HD1 ARG 7 44.575 1.787 4.261
69 HE ARG 7 HE ARG 7 46.742 0.925 4.722
70 HH11 ARG 7 HH11 ARG 7 48.137 -0.177 6.123
71 HH12 ARG 7 HH12 ARG 7 47.961 0.027 7.834
72 HH21 ARG 7 HH21 ARG 7 45.194 2.101 7.568
73 HH22 ARG 7 HH22 ARG 7 46.294 1.318 8.652
74 H LYS 8 HN LYS 8 45.620 7.906 3.783
75 HA LYS 8 HA LYS 8 44.476 8.007 6.483
76 HB2 LYS 8 HB2 LYS 8 45.307 10.255 6.847
77 HB3 LYS 8 HB1 LYS 8 46.704 9.272 6.350
78 HG2 LYS 8 HG2 LYS 8 46.177 10.028 3.938
79 HG3 LYS 8 HG1 LYS 8 45.083 11.225 4.669
80 HD2 LYS 8 HD2 LYS 8 47.004 12.064 6.056
81 HD3 LYS 8 HD1 LYS 8 48.077 10.951 5.173
82 HE2 LYS 8 HE2 LYS 8 47.615 12.058 3.069
83 HE3 LYS 8 HE1 LYS 8 46.338 13.049 3.813
84 HZ1 LYS 8 HZ1 LYS 8 49.104 13.558 3.683
85 HZ2 LYS 8 HZ2 LYS 8 48.667 13.392 5.316
86 HZ3 LYS 8 HZ3 LYS 8 47.879 14.533 4.335
87 H LYS 9 HN LYS 9 44.590 8.827 3.198
88 HA LYS 9 HA LYS 9 41.878 10.097 3.482
89 HB2 LYS 9 HB2 LYS 9 43.337 10.416 1.288
90 HB3 LYS 9 HB1 LYS 9 42.697 8.785 0.873
91 HG2 LYS 9 HG2 LYS 9 41.057 10.169 -0.073
92 HG3 LYS 9 HG1 LYS 9 40.357 9.909 1.535
93 HD2 LYS 9 HD2 LYS 9 41.343 12.059 2.307
94 HD3 LYS 9 HD1 LYS 9 42.034 12.313 0.687
95 HE2 LYS 9 HE2 LYS 9 39.947 13.561 0.842
96 HE3 LYS 9 HE1 LYS 9 39.705 12.187 -0.262
97 HZ1 LYS 9 HZ1 LYS 9 38.074 12.733 1.758
98 HZ2 LYS 9 HZ2 LYS 9 39.160 11.703 2.562
99 HZ3 LYS 9 HZ3 LYS 9 38.332 11.158 1.183
100 H LEU 10 HN LEU 10 43.598 7.079 3.643
101 HA LEU 10 HA LEU 10 41.830 5.262 4.656
102 HB2 LEU 10 HB2 LEU 10 41.051 5.993 1.838
103 HB3 LEU 10 HB1 LEU 10 40.780 4.319 2.400
104 HG LEU 10 HG LEU 10 39.661 6.532 4.168
105 HD11 LEU 10 HD11 LEU 10 38.066 5.271 1.895
106 HD12 LEU 10 HD12 LEU 10 38.864 6.846 1.709
107 HD13 LEU 10 HD13 LEU 10 37.605 6.632 2.944
108 HD21 LEU 10 HD21 LEU 10 38.780 3.689 3.517
109 HD22 LEU 10 HD22 LEU 10 38.064 4.759 4.748
110 HD23 LEU 10 HD23 LEU 10 39.734 4.175 4.939
111 H LYS 11 HN LYS 11 42.830 6.160 1.634
112 HA LYS 11 HA LYS 11 44.717 4.096 1.125
113 HB2 LYS 11 HB2 LYS 11 42.888 5.418 -0.644
114 HB3 LYS 11 HB1 LYS 11 43.875 3.996 -1.104
115 HG2 LYS 11 HG2 LYS 11 42.342 3.060 1.074
116 HG3 LYS 11 HG1 LYS 11 41.206 4.088 0.168
117 HD2 LYS 11 HD2 LYS 11 41.639 2.828 -1.884
118 HD3 LYS 11 HD1 LYS 11 42.875 1.849 -1.056
119 HE2 LYS 11 HE2 LYS 11 39.936 1.985 -0.253
120 HE3 LYS 11 HE1 LYS 11 40.671 0.674 -1.207
121 HZ1 LYS 11 HZ1 LYS 11 40.738 1.117 1.612
122 HZ2 LYS 11 HZ2 LYS 11 42.310 0.990 0.979
123 HZ3 LYS 11 HZ3 LYS 11 41.186 -0.259 0.727
124 H ASN 12 HN ASN 12 43.780 6.608 1.709
125 HA ASN 12 HA ASN 12 44.813 8.920 1.577
126 HB2 ASN 12 HB2 ASN 12 46.909 7.520 2.042
127 HB3 ASN 12 HB1 ASN 12 47.254 7.809 0.350
128 HD21 ASN 12 HD21 ASN 12 45.770 10.481 0.502
129 HD22 ASN 12 HD22 ASN 12 46.906 11.563 1.313
130 H GLU 13 HN GLU 13 43.455 7.162 -0.256
131 HA GLU 13 HA GLU 13 42.523 7.304 -2.399
132 HB2 GLU 13 HB2 GLU 13 44.732 9.272 -3.150
133 HB3 GLU 13 HB1 GLU 13 43.268 8.889 -4.073
134 HG2 GLU 13 HG2 GLU 13 41.855 9.811 -2.255
135 HG3 GLU 13 HG1 GLU 13 43.318 10.272 -1.355
136 H ILE 14 HN ILE 14 44.616 5.465 -1.234
137 HA ILE 14 HA ILE 14 45.870 3.735 -2.206
138 HB ILE 14 HB ILE 14 46.091 5.189 -4.894
139 HG12 ILE 14 HG12 ILE 14 44.000 3.178 -3.918
140 HG13 ILE 14 HG11 ILE 14 43.687 4.812 -4.531
141 HG21 ILE 14 HG21 ILE 14 47.701 3.321 -4.194
142 HG22 ILE 14 HG22 ILE 14 46.819 3.066 -5.712
143 HG23 ILE 14 HG23 ILE 14 46.297 2.232 -4.229
144 HD11 ILE 14 HD1 ILE 14 44.588 2.363 -6.071
145 HD12 ILE 14 HD2 ILE 14 44.837 4.002 -6.721
146 HD13 ILE 14 HD3 ILE 14 43.191 3.419 -6.377
147 H LYS 15 HN LYS 15 46.379 7.144 -2.530
148 HA LYS 15 HA LYS 15 48.770 7.157 -1.070
149 HB2 LYS 15 HB2 LYS 15 49.209 6.659 -3.944
150 HB3 LYS 15 HB1 LYS 15 49.899 8.227 -3.405
151 HG2 LYS 15 HG2 LYS 15 51.095 7.013 -1.571
152 HG3 LYS 15 HG1 LYS 15 50.480 5.466 -2.191
153 HD2 LYS 15 HD2 LYS 15 52.137 7.434 -3.832
154 HD3 LYS 15 HD1 LYS 15 52.822 6.040 -2.968
155 HE2 LYS 15 HE2 LYS 15 51.044 4.636 -4.310
156 HE3 LYS 15 HE1 LYS 15 50.972 6.063 -5.372
157 HZ1 LYS 15 HZ1 LYS 15 53.213 4.232 -4.855
158 HZ2 LYS 15 HZ2 LYS 15 53.550 5.846 -5.266
159 HZ3 LYS 15 HZ3 LYS 15 52.652 4.866 -6.324
160 H LYS 16 HN LYS 16 49.285 9.234 -0.658
161 HA LYS 16 HA LYS 16 48.188 11.284 -0.577
162 HB2 LYS 16 HB2 LYS 16 50.577 11.026 -1.781
163 HB3 LYS 16 HB1 LYS 16 49.805 12.519 -2.326
164 HG2 LYS 16 HG2 LYS 16 51.171 13.100 -0.421
165 HG3 LYS 16 HG1 LYS 16 49.498 13.092 0.170
166 HD2 LYS 16 HD2 LYS 16 49.891 10.696 0.920
167 HD3 LYS 16 HD1 LYS 16 51.607 10.924 0.513
168 HE2 LYS 16 HE2 LYS 16 49.966 12.303 2.658
169 HE3 LYS 16 HE1 LYS 16 51.537 11.482 2.811
170 HZ1 LYS 16 HZ1 LYS 16 52.170 13.667 2.799
171 HZ2 LYS 16 HZ2 LYS 16 50.922 14.160 1.758
172 HZ3 LYS 16 HZ3 LYS 16 52.269 13.329 1.141
173 H LYS 17 HN LYS 17 48.807 11.426 -3.262
174 HA LYS 17 HA LYS 17 45.949 11.700 -4.198
175 HB2 LYS 17 HB2 LYS 17 47.198 14.099 -3.704
176 HB3 LYS 17 HB1 LYS 17 47.777 13.788 -5.349
177 HG2 LYS 17 HG2 LYS 17 45.779 14.980 -5.740
178 HG3 LYS 17 HG1 LYS 17 45.233 13.291 -5.872
179 HD2 LYS 17 HD2 LYS 17 44.654 13.448 -3.361
180 HD3 LYS 17 HD1 LYS 17 44.918 15.199 -3.518
181 HE2 LYS 17 HE2 LYS 17 43.223 15.273 -5.345
182 HE3 LYS 17 HE1 LYS 17 42.927 13.533 -5.119
183 HZ1 LYS 17 HZ1 LYS 17 42.029 15.770 -3.544
184 HZ2 LYS 17 HZ2 LYS 17 42.722 14.535 -2.607
185 HZ3 LYS 17 HZ3 LYS 17 41.415 14.191 -3.637
186 H GLY 18 HN GLY 18 48.496 10.287 -3.741
187 HA2 GLY 18 HA1 GLY 18 48.845 8.348 -5.471
188 HA3 GLY 18 HA2 GLY 18 48.998 9.600 -6.725
189 H ARG 19 HN ARG 19 50.028 10.386 -3.637
190 HA ARG 19 HA ARG 19 52.423 9.999 -2.795
191 HB2 ARG 19 HB2 ARG 19 53.251 9.273 -5.159
192 HB3 ARG 19 HB1 ARG 19 53.084 11.028 -5.652
193 HG2 ARG 19 HG2 ARG 19 55.423 10.376 -5.003
194 HG3 ARG 19 HG1 ARG 19 54.764 11.588 -3.891
195 HD2 ARG 19 HD2 ARG 19 54.663 10.076 -2.106
196 HD3 ARG 19 HD1 ARG 19 54.457 8.666 -3.175
197 HE ARG 19 HE ARG 19 56.803 8.478 -3.246
198 HH11 ARG 19 HH11 ARG 19 56.118 10.812 -1.014
199 HH12 ARG 19 HH12 ARG 19 57.589 11.709 -1.199
200 HH21 ARG 19 HH21 ARG 19 58.593 9.985 -4.035
201 HH22 ARG 19 HH22 ARG 19 58.990 11.240 -2.910
202 H LYS 20 HN LYS 20 50.805 11.878 -5.055
203 HA LYS 20 HA LYS 20 50.786 13.926 -5.729
204 HB2 LYS 20 HB2 LYS 20 50.241 15.602 -4.605
205 HB3 LYS 20 HB1 LYS 20 49.446 14.247 -3.829
206 HG2 LYS 20 HG2 LYS 20 51.615 14.415 -2.196
207 HG3 LYS 20 HG1 LYS 20 51.546 16.100 -2.707
208 HD2 LYS 20 HD2 LYS 20 49.128 14.647 -1.561
209 HD3 LYS 20 HD1 LYS 20 50.281 15.555 -0.558
210 HE2 LYS 20 HE2 LYS 20 48.380 16.993 -1.148
211 HE3 LYS 20 HE1 LYS 20 49.855 17.584 -1.948
212 HZ1 LYS 20 HZ1 LYS 20 48.189 15.640 -3.380
213 HZ2 LYS 20 HZ2 LYS 20 49.126 16.921 -3.984
214 HZ3 LYS 20 HZ3 LYS 20 47.619 17.233 -3.265
215 H ALA 21 HN ALA 21 52.150 13.477 -6.407
216 HA ALA 21 HA ALA 21 54.203 15.062 -6.904
217 HB1 ALA 21 HB1 ALA 21 56.218 14.120 -6.108
218 HB2 ALA 21 HB2 ALA 21 55.480 12.511 -5.947
219 HB3 ALA 21 HB3 ALA 21 55.166 13.761 -4.720
220 H VAL 22 HN VAL 22 51.865 13.209 -6.773
221 HA VAL 22 HA VAL 22 52.459 12.365 -9.629
222 HB VAL 22 HB VAL 22 50.795 10.826 -7.605
223 HG11 VAL 22 HG11 VAL 22 50.622 10.894 -10.624
224 HG12 VAL 22 HG12 VAL 22 49.304 10.890 -9.428
225 HG13 VAL 22 HG13 VAL 22 50.214 9.399 -9.748
226 HG21 VAL 22 HG21 VAL 22 52.982 9.965 -9.549
227 HG22 VAL 22 HG22 VAL 22 52.117 8.873 -8.445
228 HG23 VAL 22 HG23 VAL 22 53.178 10.141 -7.794
229 H ILE 23 HN ILE 23 51.621 14.478 -7.543
230 HA ILE 23 HA ILE 23 49.810 15.546 -9.470
231 HB ILE 23 HB ILE 23 48.622 15.375 -6.691
232 HG12 ILE 23 HG12 ILE 23 48.373 13.194 -8.053
233 HG13 ILE 23 HG11 ILE 23 46.873 13.931 -7.508
234 HG21 ILE 23 HG21 ILE 23 48.051 17.460 -7.677
235 HG22 ILE 23 HG22 ILE 23 46.617 16.427 -7.887
236 HG23 ILE 23 HG23 ILE 23 47.719 16.711 -9.257
237 HD11 ILE 23 HD1 ILE 23 47.995 14.463 -10.282
238 HD12 ILE 23 HD2 ILE 23 46.367 14.812 -9.668
239 HD13 ILE 23 HD3 ILE 23 46.880 13.130 -9.926
240 H ALA 24 HN ALA 24 51.555 15.486 -6.665
241 HA ALA 24 HA ALA 24 51.865 18.381 -6.906
242 HB1 ALA 24 HB1 ALA 24 53.332 18.364 -5.090
243 HB2 ALA 24 HB2 ALA 24 53.864 16.709 -5.421
244 HB3 ALA 24 HB3 ALA 24 52.278 17.002 -4.684
245 H TRP 25 HN TRP 25 52.281 15.413 -8.330
246 HA TRP 25 HA TRP 25 53.748 16.693 -10.524
247 HB2 TRP 25 HB2 TRP 25 55.730 16.753 -9.073
248 HB3 TRP 25 HB1 TRP 25 55.623 15.014 -8.797
249 HD1 TRP 25 HD1 TRP 25 55.741 17.372 -11.877
250 HE1 TRP 25 HE1 TRP 25 57.290 16.322 -13.683
251 HE3 TRP 25 HE3 TRP 25 56.996 13.043 -9.446
252 HZ2 TRP 25 HZ2 TRP 25 58.850 13.921 -13.997
253 HZ3 TRP 25 HZ3 TRP 25 58.516 11.388 -10.518
254 HH2 TRP 25 HH2 TRP 25 59.443 11.823 -12.789
Start of MODEL 8
1 H1 ALA 1 HT1 ALA 1 46.850 6.253 8.898
2 H2 ALA 1 HT2 ALA 1 47.464 5.969 10.458
3 H3 ALA 1 HT3 ALA 1 47.760 4.857 9.207
4 HA ALA 1 HA ALA 1 49.696 6.172 9.671
5 HB1 ALA 1 HB1 ALA 1 48.248 6.478 7.035
6 HB2 ALA 1 HB2 ALA 1 49.609 5.409 7.439
7 HB3 ALA 1 HB3 ALA 1 49.869 7.163 7.266
8 H TRP 2 HN TRP 2 48.982 8.530 7.456
9 HA TRP 2 HA TRP 2 48.126 10.542 9.328
10 HB2 TRP 2 HB2 TRP 2 50.707 10.312 9.338
11 HB3 TRP 2 HB1 TRP 2 50.551 11.134 7.785
12 HD1 TRP 2 HD1 TRP 2 47.885 12.801 9.371
13 HE1 TRP 2 HE1 TRP 2 48.576 14.925 10.676
14 HE3 TRP 2 HE3 TRP 2 52.919 11.911 9.780
15 HZ2 TRP 2 HZ2 TRP 2 50.986 16.071 11.745
16 HZ3 TRP 2 HZ3 TRP 2 54.392 13.541 10.949
17 HH2 TRP 2 HH2 TRP 2 53.431 15.620 11.931
18 H LYS 3 HN LYS 3 48.255 9.092 6.418
19 HA LYS 3 HA LYS 3 47.535 9.682 4.314
20 HB2 LYS 3 HB2 LYS 3 45.601 10.766 4.396
21 HB3 LYS 3 HB1 LYS 3 45.978 11.482 5.970
22 HG2 LYS 3 HG2 LYS 3 47.258 13.309 4.820
23 HG3 LYS 3 HG1 LYS 3 46.814 12.598 3.248
24 HD2 LYS 3 HD2 LYS 3 44.505 13.065 3.567
25 HD3 LYS 3 HD1 LYS 3 44.721 13.403 5.300
26 HE2 LYS 3 HE2 LYS 3 45.882 15.457 4.844
27 HE3 LYS 3 HE1 LYS 3 46.058 15.054 3.119
28 HZ1 LYS 3 HZ1 LYS 3 43.336 15.082 4.141
29 HZ2 LYS 3 HZ2 LYS 3 43.958 15.672 2.674
30 HZ3 LYS 3 HZ3 LYS 3 44.108 16.592 4.095
31 H GLU 4 HN GLU 4 49.689 10.637 6.301
32 HA GLU 4 HA GLU 4 51.419 11.907 4.371
33 HB2 GLU 4 HB2 GLU 4 50.400 13.390 6.569
34 HB3 GLU 4 HB1 GLU 4 52.009 12.863 7.108
35 HG2 GLU 4 HG2 GLU 4 52.918 13.760 4.892
36 HG3 GLU 4 HG1 GLU 4 51.318 14.493 4.627
37 H LYS 5 HN LYS 5 50.634 9.828 7.258
38 HA LYS 5 HA LYS 5 53.467 8.714 6.814
39 HB2 LYS 5 HB2 LYS 5 51.234 8.210 8.786
40 HB3 LYS 5 HB1 LYS 5 52.070 6.768 8.204
41 HG2 LYS 5 HG2 LYS 5 53.673 9.156 9.189
42 HG3 LYS 5 HG1 LYS 5 52.964 8.020 10.360
43 HD2 LYS 5 HD2 LYS 5 54.148 6.143 9.335
44 HD3 LYS 5 HD1 LYS 5 54.774 7.194 8.044
45 HE2 LYS 5 HE2 LYS 5 56.060 8.497 9.652
46 HE3 LYS 5 HE1 LYS 5 55.335 7.605 11.011
47 HZ1 LYS 5 HZ1 LYS 5 56.354 5.682 9.319
48 HZ2 LYS 5 HZ2 LYS 5 57.008 6.182 10.805
49 HZ3 LYS 5 HZ3 LYS 5 57.543 6.890 9.357
50 H ILE 6 HN ILE 6 50.677 9.552 5.503
51 HA ILE 6 HA ILE 6 49.361 8.850 3.716
52 HB ILE 6 HB ILE 6 50.465 8.171 1.824
53 HG12 ILE 6 HG12 ILE 6 51.840 5.947 3.417
54 HG13 ILE 6 HG11 ILE 6 50.481 5.758 2.292
55 HG21 ILE 6 HG21 ILE 6 52.976 8.165 3.532
56 HG22 ILE 6 HG22 ILE 6 52.040 9.649 3.231
57 HG23 ILE 6 HG23 ILE 6 52.757 8.758 1.870
58 HD11 ILE 6 HD1 ILE 6 52.055 6.834 0.525
59 HD12 ILE 6 HD2 ILE 6 52.380 5.154 1.011
60 HD13 ILE 6 HD3 ILE 6 53.363 6.479 1.677
61 H ARG 7 HN ARG 7 47.604 8.004 3.974
62 HA ARG 7 HA ARG 7 46.259 6.009 3.605
63 HB2 ARG 7 HB2 ARG 7 48.118 4.390 3.845
64 HB3 ARG 7 HB1 ARG 7 48.009 4.598 5.607
65 HG2 ARG 7 HG2 ARG 7 45.746 3.721 5.629
66 HG3 ARG 7 HG1 ARG 7 45.666 3.749 3.852
67 HD2 ARG 7 HD2 ARG 7 47.623 2.064 5.472
68 HD3 ARG 7 HD1 ARG 7 46.102 1.459 4.774
69 HE ARG 7 HE ARG 7 47.666 2.719 2.718
70 HH11 ARG 7 HH11 ARG 7 46.949 0.570 1.427
71 HH12 ARG 7 HH12 ARG 7 48.036 -0.731 1.780
72 HH21 ARG 7 HH21 ARG 7 49.334 0.772 4.622
73 HH22 ARG 7 HH22 ARG 7 49.385 -0.618 3.589
74 H LYS 8 HN LYS 8 45.350 7.881 4.390
75 HA LYS 8 HA LYS 8 43.937 7.060 6.742
76 HB2 LYS 8 HB2 LYS 8 46.005 8.960 7.142
77 HB3 LYS 8 HB1 LYS 8 44.535 9.949 7.046
78 HG2 LYS 8 HG2 LYS 8 44.830 7.516 8.869
79 HG3 LYS 8 HG1 LYS 8 45.146 9.188 9.386
80 HD2 LYS 8 HD2 LYS 8 42.822 9.815 8.758
81 HD3 LYS 8 HD1 LYS 8 42.503 8.130 8.285
82 HE2 LYS 8 HE2 LYS 8 43.297 9.091 11.068
83 HE3 LYS 8 HE1 LYS 8 41.681 8.537 10.570
84 HZ1 LYS 8 HZ1 LYS 8 42.416 6.548 11.242
85 HZ2 LYS 8 HZ2 LYS 8 44.052 7.003 11.195
86 HZ3 LYS 8 HZ3 LYS 8 43.265 6.504 9.774
87 H LYS 9 HN LYS 9 44.358 8.511 3.734
88 HA LYS 9 HA LYS 9 41.604 9.794 3.929
89 HB2 LYS 9 HB2 LYS 9 42.695 8.590 1.348
90 HB3 LYS 9 HB1 LYS 9 41.398 9.769 1.546
91 HG2 LYS 9 HG2 LYS 9 43.996 10.712 2.690
92 HG3 LYS 9 HG1 LYS 9 44.016 10.481 0.938
93 HD2 LYS 9 HD2 LYS 9 43.363 12.797 1.518
94 HD3 LYS 9 HD1 LYS 9 42.049 11.944 0.684
95 HE2 LYS 9 HE2 LYS 9 41.363 13.345 2.713
96 HE3 LYS 9 HE1 LYS 9 40.805 11.664 2.727
97 HZ1 LYS 9 HZ1 LYS 9 43.323 11.721 3.931
98 HZ2 LYS 9 HZ2 LYS 9 41.824 11.427 4.667
99 HZ3 LYS 9 HZ3 LYS 9 42.441 13.006 4.591
100 H LEU 10 HN LEU 10 43.101 6.840 4.085
101 HA LEU 10 HA LEU 10 41.483 4.906 4.780
102 HB2 LEU 10 HB2 LEU 10 39.649 5.813 3.362
103 HB3 LEU 10 HB1 LEU 10 40.763 5.634 1.933
104 HG LEU 10 HG LEU 10 40.646 3.131 2.293
105 HD11 LEU 10 HD11 LEU 10 40.478 2.811 4.625
106 HD12 LEU 10 HD12 LEU 10 38.871 2.341 4.039
107 HD13 LEU 10 HD13 LEU 10 39.111 3.941 4.778
108 HD21 LEU 10 HD21 LEU 10 37.785 4.137 2.495
109 HD22 LEU 10 HD22 LEU 10 38.418 2.779 1.534
110 HD23 LEU 10 HD23 LEU 10 38.769 4.453 1.047
111 H LYS 11 HN LYS 11 42.348 5.867 1.610
112 HA LYS 11 HA LYS 11 44.191 3.737 1.039
113 HB2 LYS 11 HB2 LYS 11 42.585 5.372 -0.676
114 HB3 LYS 11 HB1 LYS 11 43.548 3.962 -1.237
115 HG2 LYS 11 HG2 LYS 11 42.002 2.632 0.468
116 HG3 LYS 11 HG1 LYS 11 40.912 4.019 0.223
117 HD2 LYS 11 HD2 LYS 11 40.965 3.649 -2.217
118 HD3 LYS 11 HD1 LYS 11 42.065 2.268 -1.986
119 HE2 LYS 11 HE2 LYS 11 40.302 1.208 -0.513
120 HE3 LYS 11 HE1 LYS 11 39.200 2.526 -0.979
121 HZ1 LYS 11 HZ1 LYS 11 40.278 0.326 -2.605
122 HZ2 LYS 11 HZ2 LYS 11 39.940 1.805 -3.369
123 HZ3 LYS 11 HZ3 LYS 11 38.708 0.965 -2.556
124 H ASN 12 HN ASN 12 43.466 6.264 1.810
125 HA ASN 12 HA ASN 12 44.697 8.458 1.926
126 HB2 ASN 12 HB2 ASN 12 47.171 8.485 0.916
127 HB3 ASN 12 HB1 ASN 12 46.838 8.069 2.564
128 HD21 ASN 12 HD21 ASN 12 49.071 7.306 0.548
129 HD22 ASN 12 HD22 ASN 12 49.163 5.548 0.683
130 H GLU 13 HN GLU 13 43.155 7.032 0.057
131 HA GLU 13 HA GLU 13 42.260 7.228 -2.063
132 HB2 GLU 13 HB2 GLU 13 44.252 9.514 -2.460
133 HB3 GLU 13 HB1 GLU 13 42.945 9.068 -3.569
134 HG2 GLU 13 HG2 GLU 13 41.247 9.670 -1.989
135 HG3 GLU 13 HG1 GLU 13 42.429 9.810 -0.670
136 H ILE 14 HN ILE 14 44.337 5.370 -1.149
137 HA ILE 14 HA ILE 14 45.799 3.913 -2.218
138 HB ILE 14 HB ILE 14 45.740 5.510 -4.828
139 HG12 ILE 14 HG12 ILE 14 43.862 3.299 -3.859
140 HG13 ILE 14 HG11 ILE 14 43.401 4.954 -4.302
141 HG21 ILE 14 HG21 ILE 14 47.509 3.721 -4.332
142 HG22 ILE 14 HG22 ILE 14 46.546 3.485 -5.807
143 HG23 ILE 14 HG23 ILE 14 46.176 2.542 -4.343
144 HD11 ILE 14 HD1 ILE 14 44.435 4.407 -6.632
145 HD12 ILE 14 HD2 ILE 14 42.858 3.689 -6.227
146 HD13 ILE 14 HD3 ILE 14 44.336 2.708 -6.111
147 H LYS 15 HN LYS 15 46.006 7.363 -2.356
148 HA LYS 15 HA LYS 15 48.239 7.822 -0.986
149 HB2 LYS 15 HB2 LYS 15 49.049 6.876 -3.670
150 HB3 LYS 15 HB1 LYS 15 49.614 8.533 -3.289
151 HG2 LYS 15 HG2 LYS 15 50.579 7.648 -1.141
152 HG3 LYS 15 HG1 LYS 15 50.122 6.002 -1.627
153 HD2 LYS 15 HD2 LYS 15 51.870 7.809 -3.351
154 HD3 LYS 15 HD1 LYS 15 52.542 6.705 -2.133
155 HE2 LYS 15 HE2 LYS 15 51.204 4.837 -3.325
156 HE3 LYS 15 HE1 LYS 15 50.989 6.006 -4.650
157 HZ1 LYS 15 HZ1 LYS 15 52.945 4.577 -4.944
158 HZ2 LYS 15 HZ2 LYS 15 53.613 5.191 -3.508
159 HZ3 LYS 15 HZ3 LYS 15 53.363 6.217 -4.839
160 H LYS 16 HN LYS 16 48.629 9.867 -0.836
161 HA LYS 16 HA LYS 16 47.490 11.877 -1.139
162 HB2 LYS 16 HB2 LYS 16 49.645 11.889 -2.919
163 HB3 LYS 16 HB1 LYS 16 49.000 13.342 -2.176
164 HG2 LYS 16 HG2 LYS 16 50.014 11.017 -0.497
165 HG3 LYS 16 HG1 LYS 16 51.120 12.267 -1.094
166 HD2 LYS 16 HD2 LYS 16 49.607 14.006 -0.020
167 HD3 LYS 16 HD1 LYS 16 48.707 12.663 0.724
168 HE2 LYS 16 HE2 LYS 16 50.383 13.478 2.307
169 HE3 LYS 16 HE1 LYS 16 50.852 11.855 1.747
170 HZ1 LYS 16 HZ1 LYS 16 52.688 12.661 0.812
171 HZ2 LYS 16 HZ2 LYS 16 52.399 14.106 1.658
172 HZ3 LYS 16 HZ3 LYS 16 51.863 13.935 0.055
173 H LYS 17 HN LYS 17 48.374 11.652 -3.740
174 HA LYS 17 HA LYS 17 45.677 11.737 -5.086
175 HB2 LYS 17 HB2 LYS 17 47.859 13.814 -5.606
176 HB3 LYS 17 HB1 LYS 17 46.535 13.454 -6.730
177 HG2 LYS 17 HG2 LYS 17 45.499 15.201 -5.608
178 HG3 LYS 17 HG1 LYS 17 45.055 13.909 -4.475
179 HD2 LYS 17 HD2 LYS 17 47.212 14.457 -3.208
180 HD3 LYS 17 HD1 LYS 17 47.353 15.896 -4.237
181 HE2 LYS 17 HE2 LYS 17 46.221 16.622 -2.255
182 HE3 LYS 17 HE1 LYS 17 44.962 16.482 -3.504
183 HZ1 LYS 17 HZ1 LYS 17 44.180 14.508 -2.596
184 HZ2 LYS 17 HZ2 LYS 17 44.531 15.440 -1.221
185 HZ3 LYS 17 HZ3 LYS 17 45.597 14.213 -1.713
186 H GLY 18 HN GLY 18 48.236 10.486 -4.073
187 HA2 GLY 18 HA1 GLY 18 48.871 8.340 -5.430
188 HA3 GLY 18 HA2 GLY 18 49.068 9.382 -6.848
189 H ARG 19 HN ARG 19 49.887 10.277 -3.587
190 HA ARG 19 HA ARG 19 52.265 10.138 -2.695
191 HB2 ARG 19 HB2 ARG 19 53.192 9.339 -4.994
192 HB3 ARG 19 HB1 ARG 19 53.011 11.090 -5.577
193 HG2 ARG 19 HG2 ARG 19 54.681 11.786 -3.993
194 HG3 ARG 19 HG1 ARG 19 54.553 10.334 -2.987
195 HD2 ARG 19 HD2 ARG 19 55.963 9.096 -4.344
196 HD3 ARG 19 HD1 ARG 19 55.416 9.890 -5.838
197 HE ARG 19 HE ARG 19 56.840 11.811 -4.280
198 HH11 ARG 19 HH11 ARG 19 59.166 11.111 -3.800
199 HH12 ARG 19 HH12 ARG 19 59.991 10.468 -5.181
200 HH21 ARG 19 HH21 ARG 19 57.092 10.014 -7.030
201 HH22 ARG 19 HH22 ARG 19 58.817 9.848 -7.011
202 H LYS 20 HN LYS 20 50.823 11.880 -5.137
203 HA LYS 20 HA LYS 20 50.757 13.866 -5.894
204 HB2 LYS 20 HB2 LYS 20 50.498 15.735 -4.826
205 HB3 LYS 20 HB1 LYS 20 49.463 14.521 -4.105
206 HG2 LYS 20 HG2 LYS 20 51.156 14.335 -2.188
207 HG3 LYS 20 HG1 LYS 20 51.974 15.749 -2.876
208 HD2 LYS 20 HD2 LYS 20 49.771 16.996 -2.723
209 HD3 LYS 20 HD1 LYS 20 49.144 15.629 -1.777
210 HE2 LYS 20 HE2 LYS 20 51.000 15.925 -0.143
211 HE3 LYS 20 HE1 LYS 20 51.579 17.326 -1.077
212 HZ1 LYS 20 HZ1 LYS 20 48.772 17.448 -0.445
213 HZ2 LYS 20 HZ2 LYS 20 49.987 18.618 -0.234
214 HZ3 LYS 20 HZ3 LYS 20 49.756 17.408 0.936
215 H ALA 21 HN ALA 21 52.058 13.396 -6.678
216 HA ALA 21 HA ALA 21 54.208 14.870 -7.252
217 HB1 ALA 21 HB1 ALA 21 55.336 13.638 -5.251
218 HB2 ALA 21 HB2 ALA 21 56.161 13.517 -6.822
219 HB3 ALA 21 HB3 ALA 21 55.151 12.176 -6.246
220 H VAL 22 HN VAL 22 51.782 13.116 -6.960
221 HA VAL 22 HA VAL 22 52.098 12.274 -9.865
222 HB VAL 22 HB VAL 22 50.465 10.941 -7.684
223 HG11 VAL 22 HG11 VAL 22 50.046 10.942 -10.685
224 HG12 VAL 22 HG12 VAL 22 48.836 11.101 -9.388
225 HG13 VAL 22 HG13 VAL 22 49.580 9.521 -9.719
226 HG21 VAL 22 HG21 VAL 22 52.368 9.830 -9.790
227 HG22 VAL 22 HG22 VAL 22 51.559 8.878 -8.526
228 HG23 VAL 22 HG23 VAL 22 52.779 10.097 -8.080
229 H ILE 23 HN ILE 23 51.575 14.543 -7.863
230 HA ILE 23 HA ILE 23 49.860 15.712 -9.791
231 HB ILE 23 HB ILE 23 48.249 14.621 -7.723
232 HG12 ILE 23 HG12 ILE 23 47.704 16.738 -9.841
233 HG13 ILE 23 HG11 ILE 23 47.434 14.987 -9.971
234 HG21 ILE 23 HG21 ILE 23 47.282 16.480 -6.527
235 HG22 ILE 23 HG22 ILE 23 48.177 17.658 -7.514
236 HG23 ILE 23 HG23 ILE 23 49.036 16.640 -6.344
237 HD11 ILE 23 HD1 ILE 23 45.272 15.869 -9.559
238 HD12 ILE 23 HD2 ILE 23 45.876 17.031 -8.355
239 HD13 ILE 23 HD3 ILE 23 45.803 15.299 -7.962
240 H ALA 24 HN ALA 24 51.586 15.531 -6.982
241 HA ALA 24 HA ALA 24 52.203 18.377 -7.275
242 HB1 ALA 24 HB1 ALA 24 54.069 16.578 -5.777
243 HB2 ALA 24 HB2 ALA 24 52.501 16.919 -5.020
244 HB3 ALA 24 HB3 ALA 24 53.602 18.248 -5.418
245 H TRP 25 HN TRP 25 52.272 15.332 -8.592
246 HA TRP 25 HA TRP 25 53.447 14.580 -10.507
247 HB2 TRP 25 HB2 TRP 25 52.786 16.898 -11.319
248 HB3 TRP 25 HB1 TRP 25 54.437 17.422 -10.919
249 HD1 TRP 25 HD1 TRP 25 52.456 15.356 -13.406
250 HE1 TRP 25 HE1 TRP 25 53.988 14.610 -15.370
251 HE3 TRP 25 HE3 TRP 25 56.976 16.822 -11.503
252 HZ2 TRP 25 HZ2 TRP 25 56.797 14.658 -15.998
253 HZ3 TRP 25 HZ3 TRP 25 59.070 16.461 -12.802
254 HH2 TRP 25 HH2 TRP 25 58.984 15.382 -15.046
Start of MODEL 9
1 H1 ALA 1 HT1 ALA 1 53.891 3.209 3.341
2 H2 ALA 1 HT2 ALA 1 52.284 3.030 3.861
3 H3 ALA 1 HT3 ALA 1 53.400 1.770 4.090
4 HA ALA 1 HA ALA 1 54.602 2.954 5.677
5 HB1 ALA 1 HB1 ALA 1 54.489 5.250 5.975
6 HB2 ALA 1 HB2 ALA 1 52.759 5.334 5.540
7 HB3 ALA 1 HB3 ALA 1 54.002 5.168 4.265
8 H TRP 2 HN TRP 2 52.771 4.824 7.225
9 HA TRP 2 HA TRP 2 51.624 2.992 8.907
10 HB2 TRP 2 HB2 TRP 2 50.729 5.738 8.588
11 HB3 TRP 2 HB1 TRP 2 50.522 4.739 10.028
12 HD1 TRP 2 HD1 TRP 2 53.820 3.763 9.171
13 HE1 TRP 2 HE1 TRP 2 55.673 5.166 10.313
14 HE3 TRP 2 HE3 TRP 2 51.021 7.814 10.621
15 HZ2 TRP 2 HZ2 TRP 2 55.896 7.686 11.666
16 HZ3 TRP 2 HZ3 TRP 2 52.085 9.702 11.840
17 HH2 TRP 2 HH2 TRP 2 54.518 9.642 12.363
18 H LYS 3 HN LYS 3 50.652 3.879 5.894
19 HA LYS 3 HA LYS 3 48.607 3.891 4.842
20 HB2 LYS 3 HB2 LYS 3 46.937 2.201 6.454
21 HB3 LYS 3 HB1 LYS 3 47.603 1.920 4.822
22 HG2 LYS 3 HG2 LYS 3 49.796 1.222 6.052
23 HG3 LYS 3 HG1 LYS 3 48.792 1.128 7.521
24 HD2 LYS 3 HD2 LYS 3 47.270 -0.456 6.379
25 HD3 LYS 3 HD1 LYS 3 48.283 -0.373 4.918
26 HE2 LYS 3 HE2 LYS 3 48.869 -2.366 6.245
27 HE3 LYS 3 HE1 LYS 3 50.225 -1.212 6.235
28 HZ1 LYS 3 HZ1 LYS 3 48.407 -0.687 8.372
29 HZ2 LYS 3 HZ2 LYS 3 50.080 -0.977 8.425
30 HZ3 LYS 3 HZ3 LYS 3 48.989 -2.279 8.448
31 H GLU 4 HN GLU 4 49.637 5.264 7.100
32 HA GLU 4 HA GLU 4 47.433 7.008 7.597
33 HB2 GLU 4 HB2 GLU 4 48.056 5.230 9.659
34 HB3 GLU 4 HB1 GLU 4 49.095 6.615 10.044
35 HG2 GLU 4 HG2 GLU 4 47.045 8.101 9.837
36 HG3 GLU 4 HG1 GLU 4 46.069 6.617 9.716
37 H LYS 5 HN LYS 5 50.912 5.945 7.529
38 HA LYS 5 HA LYS 5 51.490 8.961 7.260
39 HB2 LYS 5 HB2 LYS 5 53.141 6.513 7.466
40 HB3 LYS 5 HB1 LYS 5 53.581 7.438 6.019
41 HG2 LYS 5 HG2 LYS 5 53.306 8.775 8.738
42 HG3 LYS 5 HG1 LYS 5 54.817 7.984 8.242
43 HD2 LYS 5 HD2 LYS 5 54.876 9.413 6.197
44 HD3 LYS 5 HD1 LYS 5 53.401 10.240 6.750
45 HE2 LYS 5 HE2 LYS 5 54.518 11.106 8.703
46 HE3 LYS 5 HE1 LYS 5 55.943 10.080 8.416
47 HZ1 LYS 5 HZ1 LYS 5 56.293 11.281 6.319
48 HZ2 LYS 5 HZ2 LYS 5 56.365 12.316 7.664
49 HZ3 LYS 5 HZ3 LYS 5 54.983 12.298 6.676
50 H ILE 6 HN ILE 6 49.690 6.527 6.162
51 HA ILE 6 HA ILE 6 49.371 7.807 3.423
52 HB ILE 6 HB ILE 6 49.790 4.769 3.499
53 HG12 ILE 6 HG12 ILE 6 51.919 6.174 3.778
54 HG13 ILE 6 HG11 ILE 6 51.904 5.008 2.470
55 HG21 ILE 6 HG21 ILE 6 49.852 5.080 0.989
56 HG22 ILE 6 HG22 ILE 6 49.253 6.720 1.274
57 HG23 ILE 6 HG23 ILE 6 48.264 5.334 1.725
58 HD11 ILE 6 HD1 ILE 6 51.224 7.955 2.100
59 HD12 ILE 6 HD2 ILE 6 51.554 6.747 0.838
60 HD13 ILE 6 HD3 ILE 6 52.859 7.295 1.908
61 H ARG 7 HN ARG 7 47.555 4.945 3.175
62 HA ARG 7 HA ARG 7 45.182 5.739 2.983
63 HB2 ARG 7 HB2 ARG 7 45.010 3.541 3.351
64 HB3 ARG 7 HB1 ARG 7 46.122 3.575 4.689
65 HG2 ARG 7 HG2 ARG 7 44.427 4.037 6.288
66 HG3 ARG 7 HG1 ARG 7 43.294 4.603 5.054
67 HD2 ARG 7 HD2 ARG 7 44.186 1.758 5.676
68 HD3 ARG 7 HD1 ARG 7 42.546 2.429 5.761
69 HE ARG 7 HE ARG 7 43.552 2.572 3.058
70 HH11 ARG 7 HH11 ARG 7 43.538 0.581 1.814
71 HH12 ARG 7 HH12 ARG 7 42.390 -0.628 2.288
72 HH21 ARG 7 HH21 ARG 7 41.556 0.951 5.261
73 HH22 ARG 7 HH22 ARG 7 41.269 -0.418 4.239
74 H LYS 8 HN LYS 8 45.353 7.900 3.425
75 HA LYS 8 HA LYS 8 43.980 8.451 5.944
76 HB2 LYS 8 HB2 LYS 8 46.308 9.321 6.218
77 HB3 LYS 8 HB1 LYS 8 46.079 10.268 4.735
78 HG2 LYS 8 HG2 LYS 8 45.736 11.696 6.694
79 HG3 LYS 8 HG1 LYS 8 44.207 11.506 5.812
80 HD2 LYS 8 HD2 LYS 8 43.287 10.064 7.451
81 HD3 LYS 8 HD1 LYS 8 44.884 9.639 8.115
82 HE2 LYS 8 HE2 LYS 8 43.654 12.426 8.273
83 HE3 LYS 8 HE1 LYS 8 43.537 11.212 9.569
84 HZ1 LYS 8 HZ1 LYS 8 45.917 11.167 9.741
85 HZ2 LYS 8 HZ2 LYS 8 45.401 12.782 9.856
86 HZ3 LYS 8 HZ3 LYS 8 46.094 12.209 8.415
87 H LYS 9 HN LYS 9 44.537 8.887 2.648
88 HA LYS 9 HA LYS 9 42.117 10.736 2.574
89 HB2 LYS 9 HB2 LYS 9 43.825 10.791 0.594
90 HB3 LYS 9 HB1 LYS 9 43.105 9.213 0.125
91 HG2 LYS 9 HG2 LYS 9 41.790 10.712 -1.107
92 HG3 LYS 9 HG1 LYS 9 40.811 10.555 0.362
93 HD2 LYS 9 HD2 LYS 9 41.782 12.644 1.258
94 HD3 LYS 9 HD1 LYS 9 42.826 12.784 -0.176
95 HE2 LYS 9 HE2 LYS 9 40.873 14.212 -0.486
96 HE3 LYS 9 HE1 LYS 9 40.760 12.835 -1.609
97 HZ1 LYS 9 HZ1 LYS 9 38.922 12.114 -0.609
98 HZ2 LYS 9 HZ2 LYS 9 38.857 13.610 0.194
99 HZ3 LYS 9 HZ3 LYS 9 39.585 12.271 0.945
100 H LEU 10 HN LEU 10 43.269 7.527 2.855
101 HA LEU 10 HA LEU 10 41.085 6.078 3.688
102 HB2 LEU 10 HB2 LEU 10 39.752 6.973 1.764
103 HB3 LEU 10 HB1 LEU 10 41.102 6.465 0.672
104 HG LEU 10 HG LEU 10 40.530 4.057 1.339
105 HD11 LEU 10 HD11 LEU 10 38.495 5.470 3.090
106 HD12 LEU 10 HD12 LEU 10 39.680 4.220 3.544
107 HD13 LEU 10 HD13 LEU 10 38.263 3.787 2.564
108 HD21 LEU 10 HD21 LEU 10 39.327 5.359 -0.579
109 HD22 LEU 10 HD22 LEU 10 37.945 5.442 0.535
110 HD23 LEU 10 HD23 LEU 10 38.567 3.862 0.004
111 H LYS 11 HN LYS 11 42.852 6.612 0.920
112 HA LYS 11 HA LYS 11 44.572 4.360 0.999
113 HB2 LYS 11 HB2 LYS 11 43.426 5.668 -1.280
114 HB3 LYS 11 HB1 LYS 11 44.389 4.160 -1.363
115 HG2 LYS 11 HG2 LYS 11 42.411 3.265 0.233
116 HG3 LYS 11 HG1 LYS 11 41.514 4.543 -0.619
117 HD2 LYS 11 HD2 LYS 11 42.292 3.546 -2.801
118 HD3 LYS 11 HD1 LYS 11 42.979 2.191 -1.873
119 HE2 LYS 11 HE2 LYS 11 40.066 3.005 -2.146
120 HE3 LYS 11 HE1 LYS 11 40.817 1.435 -2.518
121 HZ1 LYS 11 HZ1 LYS 11 41.444 1.600 0.026
122 HZ2 LYS 11 HZ2 LYS 11 39.950 0.975 -0.485
123 HZ3 LYS 11 HZ3 LYS 11 40.058 2.577 0.072
124 H ASN 12 HN ASN 12 43.787 6.988 1.143
125 HA ASN 12 HA ASN 12 45.075 9.168 1.138
126 HB2 ASN 12 HB2 ASN 12 47.013 7.332 1.967
127 HB3 ASN 12 HB1 ASN 12 47.723 8.161 0.590
128 HD21 ASN 12 HD21 ASN 12 46.703 10.756 0.802
129 HD22 ASN 12 HD22 ASN 12 47.258 11.476 2.317
130 H GLU 13 HN GLU 13 43.922 7.483 -0.776
131 HA GLU 13 HA GLU 13 43.568 7.471 -3.078
132 HB2 GLU 13 HB2 GLU 13 44.543 9.914 -2.937
133 HB3 GLU 13 HB1 GLU 13 46.062 9.154 -3.493
134 HG2 GLU 13 HG2 GLU 13 44.901 9.907 -5.474
135 HG3 GLU 13 HG1 GLU 13 44.698 8.141 -5.411
136 H ILE 14 HN ILE 14 45.235 5.632 -1.324
137 HA ILE 14 HA ILE 14 46.572 3.822 -1.842
138 HB ILE 14 HB ILE 14 45.829 4.492 -4.500
139 HG12 ILE 14 HG12 ILE 14 47.581 2.190 -3.537
140 HG13 ILE 14 HG11 ILE 14 45.806 2.249 -3.448
141 HG21 ILE 14 HG21 ILE 14 47.779 4.366 -5.892
142 HG22 ILE 14 HG22 ILE 14 48.838 4.006 -4.509
143 HG23 ILE 14 HG23 ILE 14 48.143 5.629 -4.700
144 HD11 ILE 14 HD1 ILE 14 47.582 2.023 -5.896
145 HD12 ILE 14 HD2 ILE 14 45.938 2.691 -6.044
146 HD13 ILE 14 HD3 ILE 14 46.177 1.035 -5.437
147 H LYS 15 HN LYS 15 47.498 7.197 -2.201
148 HA LYS 15 HA LYS 15 50.027 6.418 -0.922
149 HB2 LYS 15 HB2 LYS 15 49.974 6.814 -3.759
150 HB3 LYS 15 HB1 LYS 15 50.937 8.104 -3.009
151 HG2 LYS 15 HG2 LYS 15 52.314 6.400 -1.843
152 HG3 LYS 15 HG1 LYS 15 51.345 5.107 -2.587
153 HD2 LYS 15 HD2 LYS 15 52.017 5.914 -4.842
154 HD3 LYS 15 HD1 LYS 15 53.016 7.176 -4.081
155 HE2 LYS 15 HE2 LYS 15 54.302 5.377 -2.892
156 HE3 LYS 15 HE1 LYS 15 53.365 4.161 -3.791
157 HZ1 LYS 15 HZ1 LYS 15 55.135 4.396 -5.176
158 HZ2 LYS 15 HZ2 LYS 15 55.426 6.014 -4.746
159 HZ3 LYS 15 HZ3 LYS 15 54.158 5.630 -5.811
160 H LYS 16 HN LYS 16 48.533 9.219 -2.480
161 HA LYS 16 HA LYS 16 48.753 10.615 -0.166
162 HB2 LYS 16 HB2 LYS 16 50.477 11.542 -2.255
163 HB3 LYS 16 HB1 LYS 16 50.085 12.519 -0.821
164 HG2 LYS 16 HG2 LYS 16 51.060 10.616 0.583
165 HG3 LYS 16 HG1 LYS 16 51.723 9.965 -0.939
166 HD2 LYS 16 HD2 LYS 16 52.851 12.167 -1.331
167 HD3 LYS 16 HD1 LYS 16 52.263 12.715 0.256
168 HE2 LYS 16 HE2 LYS 16 53.464 10.853 1.356
169 HE3 LYS 16 HE1 LYS 16 54.047 10.289 -0.229
170 HZ1 LYS 16 HZ1 LYS 16 55.007 12.600 -0.481
171 HZ2 LYS 16 HZ2 LYS 16 55.765 11.595 0.659
172 HZ3 LYS 16 HZ3 LYS 16 54.707 12.820 1.173
173 H LYS 17 HN LYS 17 48.928 10.892 -2.902
174 HA LYS 17 HA LYS 17 46.061 11.582 -3.438
175 HB2 LYS 17 HB2 LYS 17 48.253 13.458 -4.382
176 HB3 LYS 17 HB1 LYS 17 46.604 13.436 -5.028
177 HG2 LYS 17 HG2 LYS 17 47.298 13.944 -2.092
178 HG3 LYS 17 HG1 LYS 17 46.911 15.206 -3.273
179 HD2 LYS 17 HD2 LYS 17 44.706 13.734 -3.654
180 HD3 LYS 17 HD1 LYS 17 45.089 13.141 -2.020
181 HE2 LYS 17 HE2 LYS 17 44.637 16.037 -2.854
182 HE3 LYS 17 HE1 LYS 17 43.591 15.042 -1.813
183 HZ1 LYS 17 HZ1 LYS 17 46.298 16.102 -1.235
184 HZ2 LYS 17 HZ2 LYS 17 45.643 14.805 -0.352
185 HZ3 LYS 17 HZ3 LYS 17 44.866 16.316 -0.349
186 H GLY 18 HN GLY 18 48.579 9.916 -3.407
187 HA2 GLY 18 HA1 GLY 18 48.378 7.964 -5.140
188 HA3 GLY 18 HA2 GLY 18 48.564 9.241 -6.377
189 H ARG 19 HN ARG 19 50.095 10.673 -4.247
190 HA ARG 19 HA ARG 19 52.579 9.576 -3.553
191 HB2 ARG 19 HB2 ARG 19 52.636 9.201 -6.209
192 HB3 ARG 19 HB1 ARG 19 52.787 10.994 -6.279
193 HG2 ARG 19 HG2 ARG 19 54.886 10.890 -5.084
194 HG3 ARG 19 HG1 ARG 19 54.620 9.232 -4.531
195 HD2 ARG 19 HD2 ARG 19 54.651 9.543 -7.506
196 HD3 ARG 19 HD1 ARG 19 56.200 9.850 -6.686
197 HE ARG 19 HE ARG 19 55.066 7.446 -5.631
198 HH11 ARG 19 HH11 ARG 19 56.730 5.837 -6.028
199 HH12 ARG 19 HH12 ARG 19 57.230 5.617 -7.672
200 HH21 ARG 19 HH21 ARG 19 55.577 8.438 -8.830
201 HH22 ARG 19 HH22 ARG 19 56.578 7.091 -9.259
202 H LYS 20 HN LYS 20 50.554 11.875 -4.927
203 HA LYS 20 HA LYS 20 50.523 14.088 -5.232
204 HB2 LYS 20 HB2 LYS 20 52.097 14.430 -2.751
205 HB3 LYS 20 HB1 LYS 20 51.411 15.610 -3.889
206 HG2 LYS 20 HG2 LYS 20 49.217 15.247 -3.209
207 HG3 LYS 20 HG1 LYS 20 49.565 13.632 -2.606
208 HD2 LYS 20 HD2 LYS 20 49.177 15.047 -0.682
209 HD3 LYS 20 HD1 LYS 20 50.921 14.705 -0.738
210 HE2 LYS 20 HE2 LYS 20 49.686 17.195 -1.988
211 HE3 LYS 20 HE1 LYS 20 50.295 17.144 -0.317
212 HZ1 LYS 20 HZ1 LYS 20 52.278 16.011 -1.851
213 HZ2 LYS 20 HZ2 LYS 20 52.285 17.565 -1.166
214 HZ3 LYS 20 HZ3 LYS 20 51.750 17.339 -2.763
215 H ALA 21 HN ALA 21 51.569 13.250 -6.476
216 HA ALA 21 HA ALA 21 53.628 14.653 -7.564
217 HB1 ALA 21 HB1 ALA 21 54.709 11.866 -7.218
218 HB2 ALA 21 HB2 ALA 21 55.024 13.038 -5.917
219 HB3 ALA 21 HB3 ALA 21 55.600 13.360 -7.565
220 H VAL 22 HN VAL 22 51.358 13.315 -6.613
221 HA VAL 22 HA VAL 22 50.522 12.522 -9.450
222 HB VAL 22 HB VAL 22 49.566 11.221 -6.860
223 HG11 VAL 22 HG11 VAL 22 47.566 11.710 -8.140
224 HG12 VAL 22 HG12 VAL 22 47.955 10.017 -8.498
225 HG13 VAL 22 HG13 VAL 22 48.364 11.289 -9.668
226 HG21 VAL 22 HG21 VAL 22 50.484 9.919 -9.467
227 HG22 VAL 22 HG22 VAL 22 50.321 9.156 -7.872
228 HG23 VAL 22 HG23 VAL 22 51.624 10.320 -8.168
229 H ILE 23 HN ILE 23 50.944 14.646 -7.119
230 HA ILE 23 HA ILE 23 48.798 16.129 -8.318
231 HB ILE 23 HB ILE 23 47.982 15.177 -5.791
232 HG12 ILE 23 HG12 ILE 23 46.993 17.709 -7.163
233 HG13 ILE 23 HG11 ILE 23 46.549 16.064 -7.666
234 HG21 ILE 23 HG21 ILE 23 48.611 18.135 -5.489
235 HG22 ILE 23 HG22 ILE 23 49.666 16.867 -4.833
236 HG23 ILE 23 HG23 ILE 23 48.001 17.024 -4.247
237 HD11 ILE 23 HD1 ILE 23 44.763 16.774 -6.271
238 HD12 ILE 23 HD2 ILE 23 45.865 17.485 -5.070
239 HD13 ILE 23 HD3 ILE 23 45.747 15.717 -5.237
240 H ALA 24 HN ALA 24 51.408 15.664 -6.348
241 HA ALA 24 HA ALA 24 52.248 18.405 -6.936
242 HB1 ALA 24 HB1 ALA 24 54.205 18.030 -5.722
243 HB2 ALA 24 HB2 ALA 24 54.247 16.312 -6.149
244 HB3 ALA 24 HB3 ALA 24 53.125 16.889 -4.897
245 H TRP 25 HN TRP 25 51.421 15.422 -8.128
246 HA TRP 25 HA TRP 25 51.770 14.534 -10.300
247 HB2 TRP 25 HB2 TRP 25 50.997 16.835 -10.915
248 HB3 TRP 25 HB1 TRP 25 52.702 17.324 -11.060
249 HD1 TRP 25 HD1 TRP 25 54.130 16.245 -13.037
250 HE1 TRP 25 HE1 TRP 25 53.456 15.151 -15.297
251 HE3 TRP 25 HE3 TRP 25 49.175 15.390 -12.074
252 HZ2 TRP 25 HZ2 TRP 25 51.075 14.061 -16.495
253 HZ3 TRP 25 HZ3 TRP 25 47.720 14.323 -13.791
254 HH2 TRP 25 HH2 TRP 25 48.666 13.659 -15.999
Start of MODEL 10
1 H1 ALA 1 HT1 ALA 1 45.181 6.639 9.253
2 H2 ALA 1 HT2 ALA 1 45.740 5.726 10.572
3 H3 ALA 1 HT3 ALA 1 45.899 5.127 8.990
4 HA ALA 1 HA ALA 1 47.874 6.228 10.251
5 HB1 ALA 1 HB1 ALA 1 47.075 6.383 7.335
6 HB2 ALA 1 HB2 ALA 1 48.246 5.294 8.114
7 HB3 ALA 1 HB3 ALA 1 48.646 7.017 7.885
8 H TRP 2 HN TRP 2 47.815 8.416 7.778
9 HA TRP 2 HA TRP 2 46.642 10.621 9.193
10 HB2 TRP 2 HB2 TRP 2 49.131 10.248 9.928
11 HB3 TRP 2 HB1 TRP 2 49.432 11.003 8.357
12 HD1 TRP 2 HD1 TRP 2 46.614 12.905 8.929
13 HE1 TRP 2 HE1 TRP 2 46.967 15.043 10.346
14 HE3 TRP 2 HE3 TRP 2 51.082 11.695 11.135
15 HZ2 TRP 2 HZ2 TRP 2 48.926 16.073 12.180
16 HZ3 TRP 2 HZ3 TRP 2 52.171 13.279 12.716
17 HH2 TRP 2 HH2 TRP 2 51.098 15.465 13.240
18 H LYS 3 HN LYS 3 47.195 8.891 6.562
19 HA LYS 3 HA LYS 3 47.379 9.292 4.322
20 HB2 LYS 3 HB2 LYS 3 46.153 10.997 3.239
21 HB3 LYS 3 HB1 LYS 3 45.179 10.380 4.567
22 HG2 LYS 3 HG2 LYS 3 45.486 12.344 5.885
23 HG3 LYS 3 HG1 LYS 3 46.855 12.901 4.889
24 HD2 LYS 3 HD2 LYS 3 45.376 13.333 3.008
25 HD3 LYS 3 HD1 LYS 3 43.998 12.613 3.876
26 HE2 LYS 3 HE2 LYS 3 43.991 15.117 3.970
27 HE3 LYS 3 HE1 LYS 3 44.104 14.371 5.582
28 HZ1 LYS 3 HZ1 LYS 3 46.404 15.385 3.983
29 HZ2 LYS 3 HZ2 LYS 3 46.490 14.706 5.539
30 HZ3 LYS 3 HZ3 LYS 3 45.692 16.187 5.297
31 H GLU 4 HN GLU 4 48.965 10.218 6.602
32 HA GLU 4 HA GLU 4 51.126 11.408 5.173
33 HB2 GLU 4 HB2 GLU 4 49.589 13.067 6.929
34 HB3 GLU 4 HB1 GLU 4 51.060 12.649 7.830
35 HG2 GLU 4 HG2 GLU 4 52.447 13.460 5.937
36 HG3 GLU 4 HG1 GLU 4 50.970 13.878 5.035
37 H LYS 5 HN LYS 5 49.555 9.636 7.921
38 HA LYS 5 HA LYS 5 52.366 8.453 8.335
39 HB2 LYS 5 HB2 LYS 5 49.651 8.065 9.649
40 HB3 LYS 5 HB1 LYS 5 50.729 6.671 9.541
41 HG2 LYS 5 HG2 LYS 5 52.515 8.009 10.660
42 HG3 LYS 5 HG1 LYS 5 51.369 9.361 10.825
43 HD2 LYS 5 HD2 LYS 5 49.851 7.917 12.149
44 HD3 LYS 5 HD1 LYS 5 50.998 6.565 11.988
45 HE2 LYS 5 HE2 LYS 5 51.364 7.631 14.148
46 HE3 LYS 5 HE1 LYS 5 52.750 7.999 13.094
47 HZ1 LYS 5 HZ1 LYS 5 50.953 9.994 12.580
48 HZ2 LYS 5 HZ2 LYS 5 52.333 10.119 13.563
49 HZ3 LYS 5 HZ3 LYS 5 50.821 9.772 14.257
50 H ILE 6 HN ILE 6 50.003 9.208 6.306
51 HA ILE 6 HA ILE 6 49.369 8.371 4.200
52 HB ILE 6 HB ILE 6 51.293 6.035 4.587
53 HG12 ILE 6 HG12 ILE 6 51.841 8.893 3.659
54 HG13 ILE 6 HG11 ILE 6 52.531 8.087 5.083
55 HG21 ILE 6 HG21 ILE 6 50.636 7.506 2.015
56 HG22 ILE 6 HG22 ILE 6 49.596 6.189 2.596
57 HG23 ILE 6 HG23 ILE 6 51.305 5.876 2.224
58 HD11 ILE 6 HD1 ILE 6 53.055 7.480 2.153
59 HD12 ILE 6 HD2 ILE 6 53.481 6.337 3.451
60 HD13 ILE 6 HD3 ILE 6 54.225 7.953 3.407
61 H ARG 7 HN ARG 7 47.498 7.583 3.724
62 HA ARG 7 HA ARG 7 45.982 5.788 3.345
63 HB2 ARG 7 HB2 ARG 7 47.849 4.170 4.149
64 HB3 ARG 7 HB1 ARG 7 46.987 4.219 5.699
65 HG2 ARG 7 HG2 ARG 7 44.861 3.672 4.299
66 HG3 ARG 7 HG1 ARG 7 46.002 3.225 3.008
67 HD2 ARG 7 HD2 ARG 7 45.386 1.240 4.342
68 HD3 ARG 7 HD1 ARG 7 47.112 1.622 4.545
69 HE ARG 7 HE ARG 7 46.660 2.010 6.825
70 HH11 ARG 7 HH11 ARG 7 45.325 3.514 8.151
71 HH12 ARG 7 HH12 ARG 7 43.617 3.229 8.096
72 HH21 ARG 7 HH21 ARG 7 43.792 1.110 5.357
73 HH22 ARG 7 HH22 ARG 7 42.750 1.867 6.514
74 H LYS 8 HN LYS 8 45.499 8.092 4.637
75 HA LYS 8 HA LYS 8 43.448 7.090 6.538
76 HB2 LYS 8 HB2 LYS 8 45.272 8.351 7.784
77 HB3 LYS 8 HB1 LYS 8 44.848 9.779 6.825
78 HG2 LYS 8 HG2 LYS 8 42.552 8.412 8.223
79 HG3 LYS 8 HG1 LYS 8 43.726 9.222 9.277
80 HD2 LYS 8 HD2 LYS 8 42.632 10.692 6.852
81 HD3 LYS 8 HD1 LYS 8 41.656 10.581 8.334
82 HE2 LYS 8 HE2 LYS 8 43.525 11.565 9.638
83 HE3 LYS 8 HE1 LYS 8 44.498 11.688 8.154
84 HZ1 LYS 8 HZ1 LYS 8 41.918 12.829 7.786
85 HZ2 LYS 8 HZ2 LYS 8 43.448 13.543 7.595
86 HZ3 LYS 8 HZ3 LYS 8 42.693 13.538 9.118
87 H LYS 9 HN LYS 9 44.392 8.696 3.743
88 HA LYS 9 HA LYS 9 41.989 10.372 3.553
89 HB2 LYS 9 HB2 LYS 9 44.027 10.288 1.896
90 HB3 LYS 9 HB1 LYS 9 43.131 8.923 1.146
91 HG2 LYS 9 HG2 LYS 9 42.001 11.737 1.633
92 HG3 LYS 9 HG1 LYS 9 42.721 11.197 0.103
93 HD2 LYS 9 HD2 LYS 9 40.891 9.177 0.484
94 HD3 LYS 9 HD1 LYS 9 40.053 10.512 1.310
95 HE2 LYS 9 HE2 LYS 9 40.403 11.920 -0.756
96 HE3 LYS 9 HE1 LYS 9 41.041 10.472 -1.571
97 HZ1 LYS 9 HZ1 LYS 9 38.522 11.071 -1.723
98 HZ2 LYS 9 HZ2 LYS 9 38.438 10.321 -0.202
99 HZ3 LYS 9 HZ3 LYS 9 39.003 9.454 -1.550
100 H LEU 10 HN LEU 10 42.945 7.083 3.319
101 HA LEU 10 HA LEU 10 40.527 5.756 3.829
102 HB2 LEU 10 HB2 LEU 10 39.649 6.937 1.755
103 HB3 LEU 10 HB1 LEU 10 41.063 6.296 0.863
104 HG LEU 10 HG LEU 10 40.111 3.947 1.472
105 HD11 LEU 10 HD11 LEU 10 38.668 4.439 3.325
106 HD12 LEU 10 HD12 LEU 10 37.614 3.969 1.975
107 HD13 LEU 10 HD13 LEU 10 37.797 5.685 2.402
108 HD21 LEU 10 HD21 LEU 10 38.548 3.954 -0.357
109 HD22 LEU 10 HD22 LEU 10 39.772 5.183 -0.748
110 HD23 LEU 10 HD23 LEU 10 38.184 5.679 -0.121
111 H LYS 11 HN LYS 11 42.741 6.222 1.338
112 HA LYS 11 HA LYS 11 44.268 3.823 1.564
113 HB2 LYS 11 HB2 LYS 11 42.995 4.999 -0.674
114 HB3 LYS 11 HB1 LYS 11 44.160 3.655 -0.849
115 HG2 LYS 11 HG2 LYS 11 42.105 2.831 1.039
116 HG3 LYS 11 HG1 LYS 11 41.316 3.431 -0.436
117 HD2 LYS 11 HD2 LYS 11 42.563 1.876 -1.815
118 HD3 LYS 11 HD1 LYS 11 43.565 1.379 -0.430
119 HE2 LYS 11 HE2 LYS 11 41.650 0.396 0.689
120 HE3 LYS 11 HE1 LYS 11 40.536 1.056 -0.532
121 HZ1 LYS 11 HZ1 LYS 11 41.247 -0.435 -2.110
122 HZ2 LYS 11 HZ2 LYS 11 41.362 -1.387 -0.707
123 HZ3 LYS 11 HZ3 LYS 11 42.757 -0.688 -1.379
124 H ASN 12 HN ASN 12 43.728 6.500 1.567
125 HA ASN 12 HA ASN 12 45.262 8.529 1.754
126 HB2 ASN 12 HB2 ASN 12 47.344 6.975 2.053
127 HB3 ASN 12 HB1 ASN 12 47.409 6.946 0.308
128 HD21 ASN 12 HD21 ASN 12 49.571 8.075 0.668
129 HD22 ASN 12 HD22 ASN 12 49.538 9.828 0.884
130 H GLU 13 HN GLU 13 43.444 7.016 0.133
131 HA GLU 13 HA GLU 13 42.583 6.921 -2.016
132 HB2 GLU 13 HB2 GLU 13 43.201 9.508 -1.968
133 HB3 GLU 13 HB1 GLU 13 44.620 9.009 -2.924
134 HG2 GLU 13 HG2 GLU 13 43.016 7.852 -4.522
135 HG3 GLU 13 HG1 GLU 13 41.678 8.620 -3.634
136 H ILE 14 HN ILE 14 44.737 5.235 -0.741
137 HA ILE 14 HA ILE 14 46.278 3.686 -1.616
138 HB ILE 14 HB ILE 14 46.255 4.945 -4.403
139 HG12 ILE 14 HG12 ILE 14 44.439 2.793 -3.207
140 HG13 ILE 14 HG11 ILE 14 43.924 4.351 -3.886
141 HG21 ILE 14 HG21 ILE 14 48.081 3.317 -3.630
142 HG22 ILE 14 HG22 ILE 14 47.183 2.855 -5.092
143 HG23 ILE 14 HG23 ILE 14 46.801 2.085 -3.533
144 HD11 ILE 14 HD1 ILE 14 45.023 1.929 -5.343
145 HD12 ILE 14 HD2 ILE 14 45.059 3.546 -6.087
146 HD13 ILE 14 HD3 ILE 14 43.505 2.808 -5.633
147 H LYS 15 HN LYS 15 46.554 7.113 -2.512
148 HA LYS 15 HA LYS 15 48.989 7.439 -1.051
149 HB2 LYS 15 HB2 LYS 15 49.342 6.722 -3.899
150 HB3 LYS 15 HB1 LYS 15 50.004 8.340 -3.477
151 HG2 LYS 15 HG2 LYS 15 51.475 7.409 -1.836
152 HG3 LYS 15 HG1 LYS 15 50.634 5.844 -1.824
153 HD2 LYS 15 HD2 LYS 15 51.403 5.342 -4.078
154 HD3 LYS 15 HD1 LYS 15 52.098 6.973 -4.247
155 HE2 LYS 15 HE2 LYS 15 53.711 6.517 -2.463
156 HE3 LYS 15 HE1 LYS 15 52.970 4.927 -2.160
157 HZ1 LYS 15 HZ1 LYS 15 55.051 5.180 -3.713
158 HZ2 LYS 15 HZ2 LYS 15 53.878 5.556 -4.883
159 HZ3 LYS 15 HZ3 LYS 15 53.827 4.063 -4.074
160 H LYS 16 HN LYS 16 49.462 9.444 -0.815
161 HA LYS 16 HA LYS 16 48.379 11.505 -0.740
162 HB2 LYS 16 HB2 LYS 16 50.229 11.667 -2.852
163 HB3 LYS 16 HB1 LYS 16 49.790 13.025 -1.823
164 HG2 LYS 16 HG2 LYS 16 51.028 10.449 -0.770
165 HG3 LYS 16 HG1 LYS 16 51.989 11.867 -1.242
166 HD2 LYS 16 HD2 LYS 16 50.498 13.218 0.390
167 HD3 LYS 16 HD1 LYS 16 49.945 11.642 1.004
168 HE2 LYS 16 HE2 LYS 16 52.399 11.034 1.336
169 HE3 LYS 16 HE1 LYS 16 52.784 12.737 0.989
170 HZ1 LYS 16 HZ1 LYS 16 52.153 11.743 3.425
171 HZ2 LYS 16 HZ2 LYS 16 50.666 12.387 2.915
172 HZ3 LYS 16 HZ3 LYS 16 52.046 13.376 2.981
173 H LYS 17 HN LYS 17 48.868 11.526 -3.451
174 HA LYS 17 HA LYS 17 46.040 11.961 -4.403
175 HB2 LYS 17 HB2 LYS 17 48.357 13.743 -5.280
176 HB3 LYS 17 HB1 LYS 17 46.654 13.877 -5.743
177 HG2 LYS 17 HG2 LYS 17 46.030 14.404 -3.413
178 HG3 LYS 17 HG1 LYS 17 47.727 14.240 -2.912
179 HD2 LYS 17 HD2 LYS 17 48.384 16.132 -4.285
180 HD3 LYS 17 HD1 LYS 17 46.754 16.237 -4.989
181 HE2 LYS 17 HE2 LYS 17 45.794 16.824 -2.832
182 HE3 LYS 17 HE1 LYS 17 47.355 16.554 -2.021
183 HZ1 LYS 17 HZ1 LYS 17 46.557 18.938 -2.840
184 HZ2 LYS 17 HZ2 LYS 17 47.336 18.428 -4.262
185 HZ3 LYS 17 HZ3 LYS 17 48.192 18.490 -2.796
186 H GLY 18 HN GLY 18 48.615 10.387 -3.869
187 HA2 GLY 18 HA1 GLY 18 48.914 8.348 -5.470
188 HA3 GLY 18 HA2 GLY 18 48.929 9.495 -6.822
189 H ARG 19 HN ARG 19 50.335 10.158 -3.726
190 HA ARG 19 HA ARG 19 52.818 9.826 -3.274
191 HB2 ARG 19 HB2 ARG 19 53.314 9.234 -5.758
192 HB3 ARG 19 HB1 ARG 19 53.038 11.017 -6.159
193 HG2 ARG 19 HG2 ARG 19 55.482 10.280 -5.854
194 HG3 ARG 19 HG1 ARG 19 54.981 11.570 -4.744
195 HD2 ARG 19 HD2 ARG 19 55.095 10.158 -2.871
196 HD3 ARG 19 HD1 ARG 19 54.809 8.687 -3.835
197 HE ARG 19 HE ARG 19 57.306 9.874 -4.612
198 HH11 ARG 19 HH11 ARG 19 58.979 9.844 -2.839
199 HH12 ARG 19 HH12 ARG 19 59.009 8.385 -1.907
200 HH21 ARG 19 HH21 ARG 19 55.939 7.267 -3.067
201 HH22 ARG 19 HH22 ARG 19 57.287 6.926 -2.035
202 H LYS 20 HN LYS 20 51.046 11.799 -5.266
203 HA LYS 20 HA LYS 20 50.872 13.840 -5.813
204 HB2 LYS 20 HB2 LYS 20 50.797 15.606 -4.575
205 HB3 LYS 20 HB1 LYS 20 49.934 14.322 -3.744
206 HG2 LYS 20 HG2 LYS 20 51.967 14.031 -2.216
207 HG3 LYS 20 HG1 LYS 20 52.633 15.506 -2.948
208 HD2 LYS 20 HD2 LYS 20 50.639 16.780 -2.234
209 HD3 LYS 20 HD1 LYS 20 49.988 15.320 -1.457
210 HE2 LYS 20 HE2 LYS 20 51.093 16.619 0.260
211 HE3 LYS 20 HE1 LYS 20 52.122 15.208 -0.085
212 HZ1 LYS 20 HZ1 LYS 20 52.482 17.885 -1.335
213 HZ2 LYS 20 HZ2 LYS 20 53.520 16.545 -1.462
214 HZ3 LYS 20 HZ3 LYS 20 53.342 17.348 0.025
215 H ALA 21 HN ALA 21 52.011 13.444 -6.863
216 HA ALA 21 HA ALA 21 54.049 14.939 -7.660
217 HB1 ALA 21 HB1 ALA 21 55.455 13.514 -5.968
218 HB2 ALA 21 HB2 ALA 21 56.036 13.583 -7.648
219 HB3 ALA 21 HB3 ALA 21 55.117 12.173 -7.084
220 H VAL 22 HN VAL 22 51.673 13.197 -7.109
221 HA VAL 22 HA VAL 22 51.490 12.556 -10.067
222 HB VAL 22 HB VAL 22 50.234 11.111 -7.717
223 HG11 VAL 22 HG11 VAL 22 48.873 9.884 -9.579
224 HG12 VAL 22 HG12 VAL 22 49.233 11.317 -10.573
225 HG13 VAL 22 HG13 VAL 22 48.313 11.490 -9.058
226 HG21 VAL 22 HG21 VAL 22 51.024 9.090 -8.946
227 HG22 VAL 22 HG22 VAL 22 52.365 10.214 -8.611
228 HG23 VAL 22 HG23 VAL 22 51.648 10.143 -10.238
229 H ILE 23 HN ILE 23 51.341 14.693 -7.837
230 HA ILE 23 HA ILE 23 49.424 16.063 -9.426
231 HB ILE 23 HB ILE 23 48.388 15.617 -6.592
232 HG12 ILE 23 HG12 ILE 23 47.327 15.093 -9.405
233 HG13 ILE 23 HG11 ILE 23 47.403 13.979 -8.027
234 HG21 ILE 23 HG21 ILE 23 48.444 18.078 -7.169
235 HG22 ILE 23 HG22 ILE 23 46.798 17.480 -6.993
236 HG23 ILE 23 HG23 ILE 23 47.477 17.725 -8.615
237 HD11 ILE 23 HD1 ILE 23 45.096 14.539 -8.313
238 HD12 ILE 23 HD2 ILE 23 45.457 16.266 -8.520
239 HD13 ILE 23 HD3 ILE 23 45.622 15.510 -6.924
240 H ALA 24 HN ALA 24 51.527 15.599 -6.921
241 HA ALA 24 HA ALA 24 52.204 18.437 -7.085
242 HB1 ALA 24 HB1 ALA 24 52.789 16.779 -5.034
243 HB2 ALA 24 HB2 ALA 24 53.853 18.126 -5.479
244 HB3 ALA 24 HB3 ALA 24 54.219 16.490 -6.046
245 H TRP 25 HN TRP 25 51.970 15.515 -8.642
246 HA TRP 25 HA TRP 25 52.800 14.925 -10.784
247 HB2 TRP 25 HB2 TRP 25 52.100 17.325 -11.262
248 HB3 TRP 25 HB1 TRP 25 53.812 17.772 -11.096
249 HD1 TRP 25 HD1 TRP 25 55.342 17.370 -13.113
250 HE1 TRP 25 HE1 TRP 25 55.081 16.297 -15.467
251 HE3 TRP 25 HE3 TRP 25 50.706 15.278 -12.536
252 HZ2 TRP 25 HZ2 TRP 25 53.109 14.745 -16.879
253 HZ3 TRP 25 HZ3 TRP 25 49.654 14.005 -14.400
254 HH2 TRP 25 HH2 TRP 25 50.851 13.736 -16.568