Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
651885 | 6z0i RC | 50265 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ARG 1 3H ARG 1 5.387 -5.521 9.664
2 HA ARG 1 HA ARG 1 4.256 -3.432 9.194
3 HB2 ARG 1 1HB ARG 1 3.981 -3.364 12.214
4 HB3 ARG 1 2HB ARG 1 3.641 -2.003 11.145
5 HG2 ARG 1 1HG ARG 1 1.958 -3.404 9.951
6 HG3 ARG 1 2HG ARG 1 2.245 -4.694 11.120
7 HD2 ARG 1 1HD ARG 1 1.632 -3.070 12.946
8 HD3 ARG 1 2HD ARG 1 1.166 -1.923 11.694
9 HE ARG 1 HE ARG 1 -0.105 -4.486 11.382
10 HH11 ARG 1 1HH1 ARG 1 -0.341 -1.424 13.087
11 HH12 ARG 1 2HH1 ARG 1 -2.052 -1.571 13.316
12 HH21 ARG 1 1HH2 ARG 1 -2.307 -4.618 11.709
13 HH22 ARG 1 2HH2 ARG 1 -3.150 -3.357 12.545
14 H SER 2 H SER 2 6.482 -3.510 8.472
15 HA SER 2 HA SER 2 8.268 -1.919 10.214
16 HB2 SER 2 1HB SER 2 9.145 -4.165 10.240
17 HB3 SER 2 2HB SER 2 8.981 -4.303 8.493
18 HG SER 2 HG SER 2 11.124 -3.695 9.496
19 H LEU 3 H LEU 3 6.939 -0.352 8.819
20 HA LEU 3 HA LEU 3 7.304 -0.080 6.070
21 HB2 LEU 3 1HB LEU 3 6.578 1.796 8.286
22 HB3 LEU 3 2HB LEU 3 6.910 2.461 6.694
23 HG LEU 3 HG LEU 3 4.496 2.003 7.077
24 HD11 LEU 3 1HD1 LEU 3 5.766 1.805 4.807
25 HD12 LEU 3 2HD1 LEU 3 4.101 1.231 4.915
26 HD13 LEU 3 3HD1 LEU 3 5.436 0.081 4.974
27 HD21 LEU 3 1HD2 LEU 3 5.132 -0.939 6.900
28 HD22 LEU 3 2HD2 LEU 3 3.623 -0.164 7.385
29 HD23 LEU 3 3HD2 LEU 3 5.020 -0.126 8.461
30 H LEU 4 H LEU 4 9.565 0.618 8.616
31 HA LEU 4 HA LEU 4 11.058 2.681 7.431
32 HB2 LEU 4 1HB LEU 4 11.820 0.489 9.353
33 HB3 LEU 4 2HB LEU 4 12.963 1.725 8.826
34 HG LEU 4 HG LEU 4 11.044 3.389 9.505
35 HD11 LEU 4 1HD1 LEU 4 10.311 0.814 10.891
36 HD12 LEU 4 2HD1 LEU 4 9.261 1.932 10.020
37 HD13 LEU 4 3HD1 LEU 4 9.904 2.376 11.601
38 HD21 LEU 4 1HD2 LEU 4 11.991 3.503 11.776
39 HD22 LEU 4 2HD2 LEU 4 13.265 3.220 10.591
40 HD23 LEU 4 3HD2 LEU 4 12.671 1.887 11.583
41 H GLU 5 H GLU 5 10.934 -0.722 6.670
42 HA GLU 5 HA GLU 5 13.462 -0.665 5.226
43 HB2 GLU 5 1HB GLU 5 11.374 -2.830 5.523
44 HB3 GLU 5 2HB GLU 5 12.921 -3.029 4.698
45 HG2 GLU 5 1HG GLU 5 12.580 -2.209 7.596
46 HG3 GLU 5 2HG GLU 5 13.013 -3.823 7.047
47 H GLY 6 H GLY 6 10.150 -0.065 4.449
48 HA2 GLY 6 1HA GLY 6 10.519 -0.713 1.627
49 HA3 GLY 6 2HA GLY 6 9.020 -0.227 2.396
50 H GLU 7 H GLU 7 11.468 1.954 3.308
51 HA GLU 7 HA GLU 7 10.257 3.970 1.581
52 HB2 GLU 7 1HB GLU 7 10.632 4.377 4.015
53 HB3 GLU 7 2HB GLU 7 12.369 4.289 3.725
54 HG2 GLU 7 1HG GLU 7 12.151 6.152 2.082
55 HG3 GLU 7 2HG GLU 7 10.445 6.274 2.484
56 H ILE 8 H ILE 8 11.347 5.198 0.069
57 HA ILE 8 HA ILE 8 13.636 3.958 -1.145
58 HB ILE 8 HB ILE 8 12.296 6.572 -1.876
59 HG12 ILE 8 1HG1 ILE 8 11.840 3.808 -3.041
60 HG13 ILE 8 2HG1 ILE 8 10.764 4.564 -1.868
61 HG21 ILE 8 1HG2 ILE 8 14.035 4.678 -3.484
62 HG22 ILE 8 2HG2 ILE 8 14.564 6.225 -2.825
63 HG23 ILE 8 3HG2 ILE 8 13.318 6.178 -4.071
64 HD11 ILE 8 1HD1 ILE 8 11.179 5.199 -4.746
65 HD12 ILE 8 2HD1 ILE 8 10.891 6.569 -3.674
66 HD13 ILE 8 3HD1 ILE 8 9.707 5.268 -3.781
67 HA PRO 9 HA PRO 9 16.642 6.784 0.815
68 HB2 PRO 9 1HB PRO 9 18.400 6.310 -1.510
69 HB3 PRO 9 2HB PRO 9 18.681 5.965 0.206
70 HG2 PRO 9 1HG PRO 9 18.267 4.032 -1.598
71 HG3 PRO 9 2HG PRO 9 17.734 3.895 0.088
72 HD2 PRO 9 1HD PRO 9 16.104 4.531 -2.351
73 HD3 PRO 9 2HD PRO 9 15.683 3.531 -0.940
74 H PHE 10 H PHE 10 17.163 8.976 0.538
75 HA PHE 10 HA PHE 10 15.821 10.526 -1.353
76 HB2 PHE 10 1HB PHE 10 18.339 11.126 0.199
77 HB3 PHE 10 2HB PHE 10 17.473 12.318 -0.750
78 HD1 PHE 10 HD1 PHE 10 17.376 10.183 2.256
79 HD2 PHE 10 HD2 PHE 10 15.373 13.254 0.019
80 HE1 PHE 10 HE1 PHE 10 15.903 10.637 4.198
81 HE2 PHE 10 HE2 PHE 10 13.899 13.708 1.961
82 HZ PHE 10 HZ PHE 10 14.164 12.400 4.052
83 HA PRO 11 HA PRO 11 17.912 9.786 -5.111
84 HB2 PRO 11 1HB PRO 11 17.989 12.676 -5.763
85 HB3 PRO 11 2HB PRO 11 17.230 11.334 -6.634
86 HG2 PRO 11 1HG PRO 11 15.820 13.146 -5.252
87 HG3 PRO 11 2HG PRO 11 15.305 11.460 -5.431
88 HD2 PRO 11 1HD PRO 11 16.468 12.825 -3.051
89 HD3 PRO 11 2HD PRO 11 15.316 11.475 -3.138
90 HA PRO 12 HA PRO 12 22.050 12.302 -4.387
91 HB2 PRO 12 1HB PRO 12 21.595 12.942 -1.511
92 HB3 PRO 12 2HB PRO 12 22.460 13.872 -2.750
93 HG2 PRO 12 1HG PRO 12 20.059 14.612 -1.882
94 HG3 PRO 12 2HG PRO 12 20.544 14.819 -3.575
95 HD2 PRO 12 1HD PRO 12 18.691 12.797 -2.388
96 HD3 PRO 12 2HD PRO 12 18.639 13.578 -3.983
97 H THR 13 H THR 13 23.708 10.878 -3.842
98 HA THR 13 HA THR 13 23.947 9.450 -1.479
99 HB THR 13 HB THR 13 23.404 7.102 -2.922
100 HG1 THR 13 HG1 THR 13 22.093 7.751 -4.408
101 HG21 THR 13 1HG2 THR 13 22.725 8.097 -0.471
102 HG22 THR 13 2HG2 THR 13 22.114 6.592 -1.151
103 HG23 THR 13 3HG2 THR 13 21.159 8.064 -1.281
104 H SER 14 H SER 14 24.478 9.294 -4.996
105 HA SER 14 HA SER 14 26.411 7.250 -4.898
106 HB2 SER 14 1HB SER 14 26.159 9.461 -6.948
107 HB3 SER 14 2HB SER 14 26.998 7.928 -7.162
108 HG SER 14 HG SER 14 24.660 8.219 -7.876
109 H ILE 15 H ILE 15 26.741 10.792 -4.690
110 HA ILE 15 HA ILE 15 29.564 10.830 -4.870
111 HB ILE 15 HB ILE 15 29.427 13.032 -3.728
112 HG12 ILE 15 1HG1 ILE 15 26.444 12.478 -3.654
113 HG13 ILE 15 2HG1 ILE 15 27.493 12.428 -2.237
114 HG21 ILE 15 1HG2 ILE 15 28.163 14.114 -5.519
115 HG22 ILE 15 2HG2 ILE 15 27.358 12.591 -5.899
116 HG23 ILE 15 3HG2 ILE 15 29.091 12.765 -6.173
117 HD11 ILE 15 1HD1 ILE 15 26.762 14.801 -3.943
118 HD12 ILE 15 2HD1 ILE 15 28.214 14.816 -2.942
119 HD13 ILE 15 3HD1 ILE 15 26.629 14.618 -2.193
120 H LEU 16 H LEU 16 27.406 10.275 -2.118
121 HA LEU 16 HA LEU 16 29.366 10.372 -0.094
122 HB2 LEU 16 1HB LEU 16 26.890 8.634 -0.234
123 HB3 LEU 16 2HB LEU 16 27.806 9.011 1.224
124 HG LEU 16 HG LEU 16 26.471 11.081 -0.546
125 HD11 LEU 16 1HD1 LEU 16 25.027 11.279 1.620
126 HD12 LEU 16 2HD1 LEU 16 25.594 9.643 1.951
127 HD13 LEU 16 3HD1 LEU 16 24.672 9.977 0.486
128 HD21 LEU 16 1HD2 LEU 16 26.868 12.445 1.620
129 HD22 LEU 16 2HD2 LEU 16 28.263 12.137 0.587
130 HD23 LEU 16 3HD2 LEU 16 28.017 11.177 2.046
131 H LEU 17 H LEU 17 28.365 7.750 -2.263
132 HA LEU 17 HA LEU 17 29.863 5.691 -1.053
133 HB2 LEU 17 1HB LEU 17 28.141 5.392 -2.841
134 HB3 LEU 17 2HB LEU 17 29.301 6.020 -4.009
135 HG LEU 17 HG LEU 17 30.172 3.766 -2.232
136 HD11 LEU 17 1HD1 LEU 17 28.497 3.369 -4.730
137 HD12 LEU 17 2HD1 LEU 17 27.912 3.117 -3.086
138 HD13 LEU 17 3HD1 LEU 17 29.205 2.103 -3.727
139 HD21 LEU 17 1HD2 LEU 17 30.793 4.858 -4.961
140 HD22 LEU 17 2HD2 LEU 17 31.164 3.168 -4.616
141 HD23 LEU 17 3HD2 LEU 17 31.898 4.447 -3.652
142 H LEU 18 H LEU 18 30.772 8.116 -3.476
143 HA LEU 18 HA LEU 18 33.323 7.059 -4.054
144 HB2 LEU 18 1HB LEU 18 32.453 9.957 -4.103
145 HB3 LEU 18 2HB LEU 18 33.868 9.288 -4.914
146 HG LEU 18 HG LEU 18 30.998 8.461 -5.455
147 HD11 LEU 18 1HD1 LEU 18 31.368 9.610 -7.634
148 HD12 LEU 18 2HD1 LEU 18 32.928 10.183 -7.041
149 HD13 LEU 18 3HD1 LEU 18 31.437 10.726 -6.269
150 HD21 LEU 18 1HD2 LEU 18 32.355 6.600 -5.994
151 HD22 LEU 18 2HD2 LEU 18 33.674 7.619 -6.571
152 HD23 LEU 18 3HD2 LEU 18 32.201 7.459 -7.528
153 H LEU 19 H LEU 19 32.265 9.333 -1.549
154 HA LEU 19 HA LEU 19 34.823 9.918 -0.520
155 HB2 LEU 19 1HB LEU 19 32.733 11.119 0.106
156 HB3 LEU 19 2HB LEU 19 32.257 9.719 1.068
157 HG LEU 19 HG LEU 19 34.456 9.947 2.308
158 HD11 LEU 19 1HD1 LEU 19 35.347 12.386 2.138
159 HD12 LEU 19 2HD1 LEU 19 34.543 12.405 0.568
160 HD13 LEU 19 3HD1 LEU 19 35.822 11.235 0.890
161 HD21 LEU 19 1HD2 LEU 19 33.602 11.608 3.793
162 HD22 LEU 19 2HD2 LEU 19 32.182 10.871 3.053
163 HD23 LEU 19 3HD2 LEU 19 32.754 12.442 2.491
164 H ALA 20 H ALA 20 32.625 7.230 0.131
165 HA ALA 20 HA ALA 20 34.056 6.074 2.258
166 HB1 ALA 20 1HB ALA 20 32.771 4.122 1.880
167 HB2 ALA 20 2HB ALA 20 32.570 4.490 0.167
168 HB3 ALA 20 3HB ALA 20 31.731 5.456 1.382
169 H CYS 21 H CYS 21 34.374 5.698 -1.251
170 HA CYS 21 HA CYS 21 36.144 3.513 -1.195
171 HB2 CYS 21 1HB CYS 21 35.774 5.704 -3.246
172 HB3 CYS 21 2HB CYS 21 36.783 4.280 -3.501
173 HG CYS 21 HG CYS 21 34.607 2.798 -3.191
174 H ILE 22 H ILE 22 36.763 7.025 -1.237
175 HA ILE 22 HA ILE 22 39.571 6.825 -1.506
176 HB ILE 22 HB ILE 22 38.042 8.974 -0.020
177 HG12 ILE 22 1HG1 ILE 22 37.106 8.684 -2.268
178 HG13 ILE 22 2HG1 ILE 22 38.021 10.184 -2.177
179 HG21 ILE 22 1HG2 ILE 22 40.774 8.874 -1.313
180 HG22 ILE 22 2HG2 ILE 22 40.396 9.178 0.382
181 HG23 ILE 22 3HG2 ILE 22 39.982 10.377 -0.843
182 HD11 ILE 22 1HD1 ILE 22 38.538 9.021 -4.264
183 HD12 ILE 22 2HD1 ILE 22 38.987 7.568 -3.375
184 HD13 ILE 22 3HD1 ILE 22 39.965 9.028 -3.231
185 H PHE 23 H PHE 23 37.499 6.941 1.384
186 HA PHE 23 HA PHE 23 39.562 6.815 3.295
187 HB2 PHE 23 1HB PHE 23 36.687 5.987 3.322
188 HB3 PHE 23 2HB PHE 23 37.725 5.639 4.691
189 HD1 PHE 23 HD1 PHE 23 39.106 7.696 5.608
190 HD2 PHE 23 HD2 PHE 23 35.541 8.010 3.233
191 HE1 PHE 23 HE1 PHE 23 38.739 9.992 6.466
192 HE2 PHE 23 HE2 PHE 23 35.173 10.309 4.092
193 HZ PHE 23 HZ PHE 23 36.771 11.300 5.709
194 H LEU 24 H LEU 24 38.136 4.306 1.309
195 HA LEU 24 HA LEU 24 38.900 2.175 3.062
196 HB2 LEU 24 1HB LEU 24 36.948 2.069 1.522
197 HB3 LEU 24 2HB LEU 24 38.064 2.051 0.156
198 HG LEU 24 HG LEU 24 39.128 -0.006 1.145
199 HD11 LEU 24 1HD1 LEU 24 38.520 0.136 3.444
200 HD12 LEU 24 2HD1 LEU 24 37.596 -1.223 2.805
201 HD13 LEU 24 3HD1 LEU 24 36.811 0.335 3.058
202 HD21 LEU 24 1HD2 LEU 24 37.481 -0.196 -0.658
203 HD22 LEU 24 2HD2 LEU 24 36.162 -0.124 0.510
204 HD23 LEU 24 3HD2 LEU 24 37.251 -1.511 0.493
205 H ILE 25 H ILE 25 39.960 2.999 -0.255
206 HA ILE 25 HA ILE 25 42.074 1.113 -0.242
207 HB ILE 25 HB ILE 25 41.766 3.622 -1.914
208 HG12 ILE 25 1HG1 ILE 25 41.215 1.566 -3.590
209 HG13 ILE 25 2HG1 ILE 25 40.698 0.826 -2.080
210 HG21 ILE 25 1HG2 ILE 25 43.527 1.186 -2.352
211 HG22 ILE 25 2HG2 ILE 25 44.102 2.780 -1.861
212 HG23 ILE 25 3HG2 ILE 25 43.365 2.558 -3.448
213 HD11 ILE 25 1HD1 ILE 25 38.966 2.322 -1.787
214 HD12 ILE 25 2HD1 ILE 25 39.042 2.296 -3.549
215 HD13 ILE 25 3HD1 ILE 25 39.795 3.615 -2.653
216 H LYS 26 H LYS 26 41.911 4.483 0.905
217 HA LYS 26 HA LYS 26 44.684 4.950 1.037
218 HB2 LYS 26 1HB LYS 26 42.925 6.682 1.343
219 HB3 LYS 26 2HB LYS 26 42.554 5.987 2.920
220 HG2 LYS 26 1HG LYS 26 44.922 6.378 3.607
221 HG3 LYS 26 2HG LYS 26 45.209 7.173 2.059
222 HD2 LYS 26 1HD LYS 26 43.364 8.778 2.603
223 HD3 LYS 26 2HD LYS 26 43.250 8.041 4.202
224 HE2 LYS 26 1HE LYS 26 45.617 8.609 4.630
225 HE3 LYS 26 2HE LYS 26 45.720 9.365 3.040
226 HZ1 LYS 26 1HZ LYS 26 43.696 10.706 3.872
227 HZ2 LYS 26 2HZ LYS 26 45.251 11.138 4.404
228 HZ3 LYS 26 3HZ LYS 26 44.222 10.242 5.417
229 H ILE 27 H ILE 27 42.473 3.388 3.342
230 HA ILE 27 HA ILE 27 44.467 3.023 5.346
231 HB ILE 27 HB ILE 27 41.860 1.542 4.914
232 HG12 ILE 27 1HG1 ILE 27 42.491 3.792 6.836
233 HG13 ILE 27 2HG1 ILE 27 41.824 4.088 5.233
234 HG21 ILE 27 1HG2 ILE 27 42.045 0.927 7.269
235 HG22 ILE 27 2HG2 ILE 27 43.561 1.816 7.414
236 HG23 ILE 27 3HG2 ILE 27 43.483 0.362 6.419
237 HD11 ILE 27 1HD1 ILE 27 40.038 2.303 5.940
238 HD12 ILE 27 2HD1 ILE 27 39.891 3.955 6.541
239 HD13 ILE 27 3HD1 ILE 27 40.562 2.696 7.577
240 H LEU 28 H LEU 28 43.090 0.782 2.946
241 HA LEU 28 HA LEU 28 44.514 -1.482 3.796
242 HB2 LEU 28 1HB LEU 28 43.175 -0.732 1.217
243 HB3 LEU 28 2HB LEU 28 44.080 -2.240 1.356
244 HG LEU 28 HG LEU 28 42.674 -2.560 3.550
245 HD11 LEU 28 1HD1 LEU 28 41.626 -0.354 3.576
246 HD12 LEU 28 2HD1 LEU 28 40.390 -1.581 3.304
247 HD13 LEU 28 3HD1 LEU 28 40.981 -0.613 1.955
248 HD21 LEU 28 1HD2 LEU 28 42.576 -3.828 1.311
249 HD22 LEU 28 2HD2 LEU 28 41.192 -2.803 0.929
250 HD23 LEU 28 3HD2 LEU 28 41.131 -3.883 2.321
251 H ALA 29 H ALA 29 45.482 1.150 1.689
252 HA ALA 29 HA ALA 29 47.749 -0.293 0.629
253 HB1 ALA 29 1HB ALA 29 46.455 1.509 -0.594
254 HB2 ALA 29 2HB ALA 29 48.211 1.676 -0.622
255 HB3 ALA 29 3HB ALA 29 47.247 2.676 0.465
256 H ALA 30 H ALA 30 47.362 2.491 2.877
257 HA ALA 30 HA ALA 30 50.129 2.932 3.172
258 HB1 ALA 30 1HB ALA 30 49.554 4.372 4.984
259 HB2 ALA 30 2HB ALA 30 48.030 3.527 5.259
260 HB3 ALA 30 3HB ALA 30 48.247 4.506 3.807
261 H SER 31 H SER 31 47.858 0.941 5.053
262 HA SER 31 HA SER 31 49.639 0.291 7.141
263 HB2 SER 31 1HB SER 31 47.400 -1.420 6.045
264 HB3 SER 31 2HB SER 31 48.135 -1.543 7.639
265 HG SER 31 HG SER 31 46.577 -0.190 8.124
266 H ALA 32 H ALA 32 49.159 -1.138 3.941
267 HA ALA 32 HA ALA 32 50.545 -3.559 4.511
268 HB1 ALA 32 1HB ALA 32 50.619 -3.792 2.017
269 HB2 ALA 32 2HB ALA 32 49.922 -2.177 1.892
270 HB3 ALA 32 3HB ALA 32 49.006 -3.476 2.654
271 H LEU 33 H LEU 33 51.528 -0.611 2.744
272 HA LEU 33 HA LEU 33 54.180 -1.434 2.251
273 HB2 LEU 33 1HB LEU 33 52.922 0.520 1.228
274 HB3 LEU 33 2HB LEU 33 53.282 1.414 2.703
275 HG LEU 33 HG LEU 33 55.534 0.035 1.280
276 HD11 LEU 33 1HD1 LEU 33 55.794 1.721 -0.337
277 HD12 LEU 33 2HD1 LEU 33 54.710 2.827 0.507
278 HD13 LEU 33 3HD1 LEU 33 54.055 1.433 -0.349
279 HD21 LEU 33 1HD2 LEU 33 56.550 2.348 2.081
280 HD22 LEU 33 2HD2 LEU 33 56.287 1.049 3.240
281 HD23 LEU 33 3HD2 LEU 33 55.128 2.371 3.123
282 H TRP 34 H TRP 34 52.724 0.256 5.017
283 HA TRP 34 HA TRP 34 55.109 0.908 6.343
284 HB2 TRP 34 1HB TRP 34 52.666 1.596 6.865
285 HB3 TRP 34 2HB TRP 34 52.639 0.143 7.849
286 HD1 TRP 34 HD1 TRP 34 54.712 3.370 7.449
287 HE1 TRP 34 HE1 TRP 34 55.635 4.035 9.760
288 HE3 TRP 34 HE3 TRP 34 53.050 -0.578 10.228
289 HZ2 TRP 34 HZ2 TRP 34 55.664 3.024 12.442
290 HZ3 TRP 34 HZ3 TRP 34 53.538 -0.703 12.651
291 HH2 TRP 34 HH2 TRP 34 54.840 1.089 13.763
292 H ALA 35 H ALA 35 53.372 -2.127 6.156
293 HA ALA 35 HA ALA 35 54.658 -3.306 8.421
294 HB1 ALA 35 1HB ALA 35 53.756 -5.456 7.359
295 HB2 ALA 35 2HB ALA 35 53.043 -4.412 6.130
296 HB3 ALA 35 3HB ALA 35 52.569 -4.235 7.819
297 H ALA 36 H ALA 36 55.000 -3.923 4.915
298 HA ALA 36 HA ALA 36 57.037 -5.849 5.227
299 HB1 ALA 36 1HB ALA 36 57.533 -5.358 2.807
300 HB2 ALA 36 2HB ALA 36 56.345 -4.057 2.892
301 HB3 ALA 36 3HB ALA 36 55.843 -5.728 3.148
302 H ALA 37 H ALA 37 57.205 -2.323 4.809
303 HA ALA 37 HA ALA 37 60.033 -2.189 4.592
304 HB1 ALA 37 1HB ALA 37 58.040 -0.131 5.552
305 HB2 ALA 37 2HB ALA 37 58.653 -0.319 3.909
306 HB3 ALA 37 3HB ALA 37 59.737 0.200 5.201
307 H TRP 38 H TRP 38 57.849 -1.880 7.383
308 HA TRP 38 HA TRP 38 59.732 -1.157 9.295
309 HB2 TRP 38 1HB TRP 38 57.265 -1.098 9.558
310 HB3 TRP 38 2HB TRP 38 57.273 -2.842 9.740
311 HD1 TRP 38 HD1 TRP 38 57.401 -3.667 12.136
312 HE1 TRP 38 HE1 TRP 38 58.116 -2.661 14.398
313 HE3 TRP 38 HE3 TRP 38 59.116 0.880 10.572
314 HZ2 TRP 38 HZ2 TRP 38 59.269 -0.240 15.412
315 HZ3 TRP 38 HZ3 TRP 38 60.014 2.513 12.200
316 HH2 TRP 38 HH2 TRP 38 60.094 1.962 14.615
317 H HIS 39 H HIS 39 58.981 -4.383 8.047
318 HA HIS 39 HA HIS 39 60.728 -5.659 9.980
319 HB2 HIS 39 1HB HIS 39 59.587 -6.683 7.371
320 HB3 HIS 39 2HB HIS 39 60.473 -7.653 8.531
321 HD1 HIS 39 HD1 HIS 39 59.246 -8.255 10.764
322 HD2 HIS 39 HD2 HIS 39 56.889 -6.187 8.019
323 HE1 HIS 39 HE1 HIS 39 56.849 -8.491 11.555
324 H GLY 40 H GLY 40 60.912 -5.599 6.410
325 HA2 GLY 40 1HA GLY 40 63.479 -4.211 6.646
326 HA3 GLY 40 2HA GLY 40 63.437 -5.687 5.683
327 H GLN 41 H GLN 41 62.999 -2.314 5.515
328 HA GLN 41 HA GLN 41 61.561 -2.070 3.166
329 HB2 GLN 41 1HB GLN 41 62.722 -0.212 4.396
330 HB3 GLN 41 2HB GLN 41 64.235 -0.747 3.662
331 HG2 GLN 41 1HG GLN 41 63.302 -0.402 1.424
332 HG3 GLN 41 2HG GLN 41 61.756 0.070 2.122
333 HE21 GLN 41 1HE2 GLN 41 62.877 1.934 0.473
334 HE22 GLN 41 2HE2 GLN 41 63.548 3.216 1.359
335 H LYS 42 H LYS 42 61.908 -2.468 1.017
336 HA LYS 42 HA LYS 42 62.592 -3.810 -0.730
337 HB2 LYS 42 1HB LYS 42 64.751 -1.870 -0.042
338 HB3 LYS 42 2HB LYS 42 65.070 -3.052 -1.309
339 HG2 LYS 42 1HG LYS 42 62.616 -2.225 -2.098
340 HG3 LYS 42 2HG LYS 42 63.155 -0.764 -1.276
341 HD2 LYS 42 1HD LYS 42 63.872 -0.480 -3.514
342 HD3 LYS 42 2HD LYS 42 65.321 -1.004 -2.656
343 HE2 LYS 42 1HE LYS 42 65.304 -3.108 -3.624
344 HE3 LYS 42 2HE LYS 42 63.557 -3.103 -3.867
345 HZ1 LYS 42 1HZ LYS 42 64.942 -2.829 -5.920
346 HZ2 LYS 42 2HZ LYS 42 65.391 -1.298 -5.336
347 HZ3 LYS 42 3HZ LYS 42 63.762 -1.634 -5.678
348 HA PRO 43 HA PRO 43 64.933 -6.853 2.046
349 HB2 PRO 43 1HB PRO 43 63.308 -9.020 1.376
350 HB3 PRO 43 2HB PRO 43 63.138 -8.020 2.830
351 HG2 PRO 43 1HG PRO 43 61.623 -7.925 0.286
352 HG3 PRO 43 2HG PRO 43 61.077 -7.632 1.947
353 HD2 PRO 43 1HD PRO 43 61.522 -5.602 0.203
354 HD3 PRO 43 2HD PRO 43 61.801 -5.429 1.949
355 H GLY 44 H GLY 44 66.469 -8.311 1.310
356 HA2 GLY 44 1HA GLY 44 66.916 -8.267 -1.570
357 HA3 GLY 44 2HA GLY 44 68.058 -8.803 -0.343
358 H THR 45 H THR 45 68.258 -10.929 0.070
359 HA THR 45 HA THR 45 68.211 -13.167 -0.455
360 HB THR 45 HB THR 45 65.810 -14.104 -0.086
361 HG1 THR 45 HG1 THR 45 64.588 -12.326 -0.375
362 HG21 THR 45 1HG2 THR 45 67.633 -14.113 1.589
363 HG22 THR 45 2HG2 THR 45 66.071 -13.787 2.339
364 HG23 THR 45 3HG2 THR 45 67.206 -12.467 2.052
365 H HIS 46 H HIS 46 68.487 -11.954 -2.789
366 HA HIS 46 HA HIS 46 66.387 -12.701 -4.647
367 HB2 HIS 46 1HB HIS 46 67.722 -10.644 -4.950
368 HB3 HIS 46 2HB HIS 46 69.163 -11.622 -5.148
369 HD1 HIS 46 HD1 HIS 46 69.544 -12.719 -7.427
370 HD2 HIS 46 HD2 HIS 46 65.877 -10.756 -7.159
371 HE1 HIS 46 HE1 HIS 46 68.606 -12.633 -9.777
Start of MODEL 2
1 H ARG 1 3H ARG 1 3.898 8.402 -10.354
2 HA ARG 1 HA ARG 1 3.324 6.915 -12.847
3 HB2 ARG 1 1HB ARG 1 5.732 6.555 -13.037
4 HB3 ARG 1 2HB ARG 1 5.383 8.281 -13.060
5 HG2 ARG 1 1HG ARG 1 5.884 8.336 -10.589
6 HG3 ARG 1 2HG ARG 1 6.426 6.661 -10.720
7 HD2 ARG 1 1HD ARG 1 8.056 7.376 -12.477
8 HD3 ARG 1 2HD ARG 1 7.573 9.046 -12.196
9 HE ARG 1 HE ARG 1 8.309 7.882 -9.733
10 HH11 ARG 1 1HH1 ARG 1 9.816 8.929 -12.726
11 HH12 ARG 1 2HH1 ARG 1 11.336 9.254 -11.963
12 HH21 ARG 1 1HH2 ARG 1 10.292 8.319 -8.807
13 HH22 ARG 1 2HH2 ARG 1 11.601 8.913 -9.773
14 H SER 2 H SER 2 3.892 4.655 -12.639
15 HA SER 2 HA SER 2 2.872 3.449 -10.337
16 HB2 SER 2 1HB SER 2 4.762 2.261 -12.383
17 HB3 SER 2 2HB SER 2 3.776 1.352 -11.242
18 HG SER 2 HG SER 2 3.025 2.874 -13.483
19 H LEU 3 H LEU 3 3.792 2.440 -8.586
20 HA LEU 3 HA LEU 3 5.176 2.447 -6.746
21 HB2 LEU 3 1HB LEU 3 7.109 1.529 -8.884
22 HB3 LEU 3 2HB LEU 3 7.241 1.210 -7.157
23 HG LEU 3 HG LEU 3 4.942 0.304 -8.919
24 HD11 LEU 3 1HD1 LEU 3 5.918 -1.960 -8.544
25 HD12 LEU 3 2HD1 LEU 3 7.296 -1.205 -7.742
26 HD13 LEU 3 3HD1 LEU 3 7.000 -0.905 -9.455
27 HD21 LEU 3 1HD2 LEU 3 4.480 -1.138 -6.866
28 HD22 LEU 3 2HD2 LEU 3 4.164 0.585 -6.663
29 HD23 LEU 3 3HD2 LEU 3 5.635 -0.125 -5.999
30 H LEU 4 H LEU 4 4.990 5.024 -7.338
31 HA LEU 4 HA LEU 4 7.330 6.433 -7.982
32 HB2 LEU 4 1HB LEU 4 4.969 7.320 -7.722
33 HB3 LEU 4 2HB LEU 4 5.255 7.339 -5.986
34 HG LEU 4 HG LEU 4 7.352 8.632 -7.684
35 HD11 LEU 4 1HD1 LEU 4 4.591 9.810 -7.275
36 HD12 LEU 4 2HD1 LEU 4 5.407 9.503 -8.809
37 HD13 LEU 4 3HD1 LEU 4 6.006 10.761 -7.728
38 HD21 LEU 4 1HD2 LEU 4 6.003 9.820 -5.272
39 HD22 LEU 4 2HD2 LEU 4 7.675 9.979 -5.804
40 HD23 LEU 4 3HD2 LEU 4 7.126 8.481 -5.059
41 H GLU 5 H GLU 5 6.430 4.776 -5.039
42 HA GLU 5 HA GLU 5 8.473 6.105 -3.447
43 HB2 GLU 5 1HB GLU 5 6.599 3.824 -2.804
44 HB3 GLU 5 2HB GLU 5 7.690 4.591 -1.649
45 HG2 GLU 5 1HG GLU 5 6.591 6.777 -2.109
46 HG3 GLU 5 2HG GLU 5 5.461 5.960 -3.181
47 H GLY 6 H GLY 6 8.368 3.354 -5.501
48 HA2 GLY 6 1HA GLY 6 10.506 1.958 -4.077
49 HA3 GLY 6 2HA GLY 6 9.611 1.351 -5.459
50 H GLU 7 H GLU 7 10.735 4.567 -5.929
51 HA GLU 7 HA GLU 7 12.560 3.573 -7.969
52 HB2 GLU 7 1HB GLU 7 11.657 6.381 -7.292
53 HB3 GLU 7 2HB GLU 7 12.668 5.945 -8.670
54 HG2 GLU 7 1HG GLU 7 9.880 4.879 -8.148
55 HG3 GLU 7 2HG GLU 7 10.278 6.145 -9.303
56 H ILE 8 H ILE 8 14.710 4.221 -8.178
57 HA ILE 8 HA ILE 8 16.116 4.295 -5.681
58 HB ILE 8 HB ILE 8 17.211 4.392 -8.501
59 HG12 ILE 8 1HG1 ILE 8 16.909 2.016 -6.639
60 HG13 ILE 8 2HG1 ILE 8 15.789 2.379 -7.953
61 HG21 ILE 8 1HG2 ILE 8 19.289 3.609 -7.464
62 HG22 ILE 8 2HG2 ILE 8 18.523 3.618 -5.876
63 HG23 ILE 8 3HG2 ILE 8 18.795 5.136 -6.733
64 HD11 ILE 8 1HD1 ILE 8 17.667 2.275 -9.567
65 HD12 ILE 8 2HD1 ILE 8 17.467 0.750 -8.702
66 HD13 ILE 8 3HD1 ILE 8 18.762 1.858 -8.249
67 HA PRO 9 HA PRO 9 16.742 8.776 -5.735
68 HB2 PRO 9 1HB PRO 9 19.283 8.419 -4.285
69 HB3 PRO 9 2HB PRO 9 17.795 9.228 -3.765
70 HG2 PRO 9 1HG PRO 9 18.641 6.886 -2.737
71 HG3 PRO 9 2HG PRO 9 16.932 7.345 -2.845
72 HD2 PRO 9 1HD PRO 9 18.477 5.440 -4.558
73 HD3 PRO 9 2HD PRO 9 16.782 5.373 -4.025
74 H PHE 10 H PHE 10 18.120 10.314 -6.826
75 HA PHE 10 HA PHE 10 18.978 9.314 -9.256
76 HB2 PHE 10 1HB PHE 10 19.824 11.923 -8.003
77 HB3 PHE 10 2HB PHE 10 19.857 11.535 -9.714
78 HD1 PHE 10 HD1 PHE 10 17.628 11.022 -10.878
79 HD2 PHE 10 HD2 PHE 10 17.901 12.816 -6.984
80 HE1 PHE 10 HE1 PHE 10 15.299 11.846 -11.094
81 HE2 PHE 10 HE2 PHE 10 15.573 13.641 -7.201
82 HZ PHE 10 HZ PHE 10 14.271 13.155 -9.256
83 HA PRO 11 HA PRO 11 22.966 7.618 -8.495
84 HB2 PRO 11 1HB PRO 11 23.998 8.788 -11.012
85 HB3 PRO 11 2HB PRO 11 23.906 7.098 -10.487
86 HG2 PRO 11 1HG PRO 11 22.277 8.109 -12.343
87 HG3 PRO 11 2HG PRO 11 21.760 6.848 -11.209
88 HD2 PRO 11 1HD PRO 11 21.108 9.764 -11.200
89 HD3 PRO 11 2HD PRO 11 20.119 8.372 -10.707
90 HA PRO 12 HA PRO 12 25.908 11.516 -8.885
91 HB2 PRO 12 1HB PRO 12 24.033 13.582 -7.841
92 HB3 PRO 12 2HB PRO 12 25.327 13.730 -9.047
93 HG2 PRO 12 1HG PRO 12 22.781 13.696 -9.773
94 HG3 PRO 12 2HG PRO 12 24.025 12.888 -10.745
95 HD2 PRO 12 1HD PRO 12 21.993 11.676 -8.914
96 HD3 PRO 12 2HD PRO 12 22.644 11.056 -10.447
97 H THR 13 H THR 13 23.384 11.316 -6.350
98 HA THR 13 HA THR 13 25.043 12.072 -4.189
99 HB THR 13 HB THR 13 23.410 10.921 -2.769
100 HG1 THR 13 HG1 THR 13 21.814 9.684 -3.722
101 HG21 THR 13 1HG2 THR 13 22.240 12.424 -5.126
102 HG22 THR 13 2HG2 THR 13 22.791 13.114 -3.599
103 HG23 THR 13 3HG2 THR 13 21.361 12.081 -3.635
104 H SER 14 H SER 14 24.667 9.016 -5.884
105 HA SER 14 HA SER 14 25.687 7.325 -3.879
106 HB2 SER 14 1HB SER 14 24.432 6.573 -5.906
107 HB3 SER 14 2HB SER 14 25.865 6.916 -6.868
108 HG SER 14 HG SER 14 25.649 5.116 -4.676
109 H ILE 15 H ILE 15 27.325 9.119 -6.481
110 HA ILE 15 HA ILE 15 29.801 7.783 -6.210
111 HB ILE 15 HB ILE 15 30.808 9.827 -7.270
112 HG12 ILE 15 1HG1 ILE 15 27.998 10.782 -7.719
113 HG13 ILE 15 2HG1 ILE 15 28.859 11.286 -6.262
114 HG21 ILE 15 1HG2 ILE 15 29.873 9.325 -9.410
115 HG22 ILE 15 2HG2 ILE 15 28.341 8.816 -8.698
116 HG23 ILE 15 3HG2 ILE 15 29.788 7.832 -8.477
117 HD11 ILE 15 1HD1 ILE 15 30.688 12.180 -7.623
118 HD12 ILE 15 2HD1 ILE 15 29.159 12.902 -8.127
119 HD13 ILE 15 3HD1 ILE 15 29.890 11.620 -9.094
120 H LEU 16 H LEU 16 28.426 10.518 -4.426
121 HA LEU 16 HA LEU 16 30.779 11.242 -3.034
122 HB2 LEU 16 1HB LEU 16 27.919 11.294 -2.040
123 HB3 LEU 16 2HB LEU 16 29.273 12.180 -1.339
124 HG LEU 16 HG LEU 16 28.290 12.511 -4.190
125 HD11 LEU 16 1HD1 LEU 16 27.912 14.264 -1.742
126 HD12 LEU 16 2HD1 LEU 16 26.647 13.345 -2.558
127 HD13 LEU 16 3HD1 LEU 16 27.432 14.691 -3.384
128 HD21 LEU 16 1HD2 LEU 16 30.416 13.866 -2.514
129 HD22 LEU 16 2HD2 LEU 16 29.730 14.627 -3.949
130 HD23 LEU 16 3HD2 LEU 16 30.601 13.101 -4.092
131 H LEU 17 H LEU 17 28.332 8.742 -2.387
132 HA LEU 17 HA LEU 17 29.430 7.791 0.029
133 HB2 LEU 17 1HB LEU 17 27.227 7.097 -0.913
134 HB3 LEU 17 2HB LEU 17 28.086 6.129 -2.112
135 HG LEU 17 HG LEU 17 29.249 4.961 -0.181
136 HD11 LEU 17 1HD1 LEU 17 28.981 6.382 1.666
137 HD12 LEU 17 2HD1 LEU 17 27.769 5.137 1.970
138 HD13 LEU 17 3HD1 LEU 17 27.284 6.696 1.300
139 HD21 LEU 17 1HD2 LEU 17 27.535 3.711 -1.210
140 HD22 LEU 17 2HD2 LEU 17 26.275 4.814 -0.657
141 HD23 LEU 17 3HD2 LEU 17 27.058 3.725 0.488
142 H LEU 18 H LEU 18 30.279 7.087 -3.337
143 HA LEU 18 HA LEU 18 32.120 5.017 -2.832
144 HB2 LEU 18 1HB LEU 18 31.304 5.671 -5.098
145 HB3 LEU 18 2HB LEU 18 32.330 7.102 -5.013
146 HG LEU 18 HG LEU 18 34.291 5.553 -4.596
147 HD11 LEU 18 1HD1 LEU 18 33.772 3.184 -5.568
148 HD12 LEU 18 2HD1 LEU 18 32.103 3.558 -5.137
149 HD13 LEU 18 3HD1 LEU 18 33.348 3.524 -3.889
150 HD21 LEU 18 1HD2 LEU 18 32.707 5.422 -7.172
151 HD22 LEU 18 2HD2 LEU 18 34.340 4.772 -7.024
152 HD23 LEU 18 3HD2 LEU 18 34.051 6.495 -6.785
153 H LEU 19 H LEU 19 32.492 8.535 -2.697
154 HA LEU 19 HA LEU 19 35.288 8.625 -2.433
155 HB2 LEU 19 1HB LEU 19 33.817 10.604 -2.787
156 HB3 LEU 19 2HB LEU 19 33.284 10.467 -1.111
157 HG LEU 19 HG LEU 19 35.711 10.630 -0.421
158 HD11 LEU 19 1HD1 LEU 19 35.957 11.121 -3.388
159 HD12 LEU 19 2HD1 LEU 19 36.903 10.032 -2.375
160 HD13 LEU 19 3HD1 LEU 19 37.137 11.777 -2.254
161 HD21 LEU 19 1HD2 LEU 19 34.484 12.925 -1.982
162 HD22 LEU 19 2HD2 LEU 19 35.833 13.094 -0.859
163 HD23 LEU 19 3HD2 LEU 19 34.252 12.580 -0.268
164 H ALA 20 H ALA 20 32.758 8.107 -0.010
165 HA ALA 20 HA ALA 20 34.443 8.059 2.257
166 HB1 ALA 20 1HB ALA 20 31.764 6.915 1.608
167 HB2 ALA 20 2HB ALA 20 32.229 8.040 2.882
168 HB3 ALA 20 3HB ALA 20 32.593 6.322 3.047
169 H CYS 21 H CYS 21 33.560 5.516 -0.049
170 HA CYS 21 HA CYS 21 34.868 3.382 1.235
171 HB2 CYS 21 1HB CYS 21 34.523 3.816 -1.741
172 HB3 CYS 21 2HB CYS 21 34.863 2.280 -0.945
173 HG CYS 21 HG CYS 21 32.330 3.596 0.134
174 H ILE 22 H ILE 22 36.087 5.836 -1.022
175 HA ILE 22 HA ILE 22 38.656 4.737 -1.395
176 HB ILE 22 HB ILE 22 37.915 7.669 -1.322
177 HG12 ILE 22 1HG1 ILE 22 36.483 6.474 -2.902
178 HG13 ILE 22 2HG1 ILE 22 37.661 7.441 -3.776
179 HG21 ILE 22 1HG2 ILE 22 39.856 7.936 -2.815
180 HG22 ILE 22 2HG2 ILE 22 40.195 6.211 -2.684
181 HG23 ILE 22 3HG2 ILE 22 40.340 7.248 -1.265
182 HD11 ILE 22 1HD1 ILE 22 37.501 5.254 -4.824
183 HD12 ILE 22 2HD1 ILE 22 37.790 4.452 -3.282
184 HD13 ILE 22 3HD1 ILE 22 39.077 5.386 -4.045
185 H PHE 23 H PHE 23 37.350 6.771 1.210
186 HA PHE 23 HA PHE 23 39.780 7.262 2.547
187 HB2 PHE 23 1HB PHE 23 37.627 8.314 3.145
188 HB3 PHE 23 2HB PHE 23 37.059 6.775 3.763
189 HD1 PHE 23 HD1 PHE 23 39.427 9.565 4.292
190 HD2 PHE 23 HD2 PHE 23 37.776 5.945 5.912
191 HE1 PHE 23 HE1 PHE 23 40.419 10.102 6.501
192 HE2 PHE 23 HE2 PHE 23 38.768 6.482 8.120
193 HZ PHE 23 HZ PHE 23 40.090 8.560 8.415
194 H LEU 24 H LEU 24 37.579 4.478 2.682
195 HA LEU 24 HA LEU 24 38.985 3.007 4.640
196 HB2 LEU 24 1HB LEU 24 36.738 2.395 3.742
197 HB3 LEU 24 2HB LEU 24 37.517 1.872 2.249
198 HG LEU 24 HG LEU 24 38.953 0.328 3.651
199 HD11 LEU 24 1HD1 LEU 24 37.832 -0.225 5.906
200 HD12 LEU 24 2HD1 LEU 24 37.031 1.338 5.751
201 HD13 LEU 24 3HD1 LEU 24 38.790 1.254 5.830
202 HD21 LEU 24 1HD2 LEU 24 37.128 -0.642 2.442
203 HD22 LEU 24 2HD2 LEU 24 35.943 0.022 3.567
204 HD23 LEU 24 3HD2 LEU 24 37.014 -1.280 4.083
205 H ILE 25 H ILE 25 39.489 3.301 1.146
206 HA ILE 25 HA ILE 25 41.488 1.331 0.903
207 HB ILE 25 HB ILE 25 41.240 3.894 -0.692
208 HG12 ILE 25 1HG1 ILE 25 40.115 1.132 -1.254
209 HG13 ILE 25 2HG1 ILE 25 39.164 2.473 -0.617
210 HG21 ILE 25 1HG2 ILE 25 42.481 2.707 -2.401
211 HG22 ILE 25 2HG2 ILE 25 42.470 1.226 -1.443
212 HG23 ILE 25 3HG2 ILE 25 43.407 2.619 -0.902
213 HD11 ILE 25 1HD1 ILE 25 40.435 2.189 -3.331
214 HD12 ILE 25 2HD1 ILE 25 40.078 3.788 -2.678
215 HD13 ILE 25 3HD1 ILE 25 38.775 2.625 -2.926
216 H LYS 26 H LYS 26 41.681 4.721 1.923
217 HA LYS 26 HA LYS 26 44.488 4.931 1.985
218 HB2 LYS 26 1HB LYS 26 42.432 6.212 3.799
219 HB3 LYS 26 2HB LYS 26 44.127 6.687 3.704
220 HG2 LYS 26 1HG LYS 26 43.833 7.133 1.269
221 HG3 LYS 26 2HG LYS 26 42.115 6.767 1.439
222 HD2 LYS 26 1HD LYS 26 41.945 8.577 3.153
223 HD3 LYS 26 2HD LYS 26 43.630 8.991 2.834
224 HE2 LYS 26 1HE LYS 26 43.024 9.335 0.421
225 HE3 LYS 26 2HE LYS 26 41.334 9.091 0.859
226 HZ1 LYS 26 1HZ LYS 26 41.716 11.403 0.886
227 HZ2 LYS 26 2HZ LYS 26 43.152 11.241 1.779
228 HZ3 LYS 26 3HZ LYS 26 41.652 10.925 2.513
229 H ILE 27 H ILE 27 42.213 3.545 4.327
230 HA ILE 27 HA ILE 27 44.076 3.034 6.387
231 HB ILE 27 HB ILE 27 41.724 1.295 5.615
232 HG12 ILE 27 1HG1 ILE 27 40.989 3.622 5.867
233 HG13 ILE 27 2HG1 ILE 27 40.433 2.658 7.230
234 HG21 ILE 27 1HG2 ILE 27 43.147 1.735 8.254
235 HG22 ILE 27 2HG2 ILE 27 43.254 0.288 7.251
236 HG23 ILE 27 3HG2 ILE 27 41.725 0.721 8.015
237 HD11 ILE 27 1HD1 ILE 27 42.838 4.509 7.211
238 HD12 ILE 27 2HD1 ILE 27 42.356 3.500 8.576
239 HD13 ILE 27 3HD1 ILE 27 41.303 4.801 8.025
240 H LEU 28 H LEU 28 43.190 1.123 3.531
241 HA LEU 28 HA LEU 28 44.909 -1.056 4.035
242 HB2 LEU 28 1HB LEU 28 43.729 0.095 1.531
243 HB3 LEU 28 2HB LEU 28 44.952 -1.157 1.412
244 HG LEU 28 HG LEU 28 42.632 -2.046 1.364
245 HD11 LEU 28 1HD1 LEU 28 43.831 -2.994 3.938
246 HD12 LEU 28 2HD1 LEU 28 44.731 -3.205 2.436
247 HD13 LEU 28 3HD1 LEU 28 43.133 -3.929 2.615
248 HD21 LEU 28 1HD2 LEU 28 42.415 -1.373 4.292
249 HD22 LEU 28 2HD2 LEU 28 41.145 -1.880 3.177
250 HD23 LEU 28 3HD2 LEU 28 41.823 -0.257 3.061
251 H ALA 29 H ALA 29 45.561 2.111 2.649
252 HA ALA 29 HA ALA 29 48.154 1.607 1.685
253 HB1 ALA 29 1HB ALA 29 46.633 3.703 1.425
254 HB2 ALA 29 2HB ALA 29 48.383 3.920 1.492
255 HB3 ALA 29 3HB ALA 29 47.399 4.236 2.922
256 H ALA 30 H ALA 30 47.006 2.537 4.909
257 HA ALA 30 HA ALA 30 49.529 2.957 6.090
258 HB1 ALA 30 1HB ALA 30 47.688 3.647 7.379
259 HB2 ALA 30 2HB ALA 30 48.276 2.220 8.232
260 HB3 ALA 30 3HB ALA 30 46.860 2.101 7.189
261 H SER 31 H SER 31 47.579 0.008 5.744
262 HA SER 31 HA SER 31 49.347 -1.762 7.038
263 HB2 SER 31 1HB SER 31 47.027 -2.323 6.278
264 HB3 SER 31 2HB SER 31 47.631 -2.380 4.625
265 HG SER 31 HG SER 31 48.289 -4.016 6.839
266 H ALA 32 H ALA 32 49.341 -0.481 3.737
267 HA ALA 32 HA ALA 32 51.300 -2.212 2.666
268 HB1 ALA 32 1HB ALA 32 51.358 -0.777 0.831
269 HB2 ALA 32 2HB ALA 32 51.089 0.659 1.818
270 HB3 ALA 32 3HB ALA 32 49.758 -0.453 1.497
271 H LEU 33 H LEU 33 51.572 0.903 4.363
272 HA LEU 33 HA LEU 33 54.345 1.245 4.060
273 HB2 LEU 33 1HB LEU 33 52.720 2.937 4.938
274 HB3 LEU 33 2HB LEU 33 52.684 2.048 6.457
275 HG LEU 33 HG LEU 33 55.365 2.805 5.349
276 HD11 LEU 33 1HD1 LEU 33 55.259 5.034 6.276
277 HD12 LEU 33 2HD1 LEU 33 53.633 4.751 6.900
278 HD13 LEU 33 3HD1 LEU 33 53.907 4.852 5.160
279 HD21 LEU 33 1HD2 LEU 33 55.561 3.281 7.943
280 HD22 LEU 33 2HD2 LEU 33 55.563 1.621 7.355
281 HD23 LEU 33 3HD2 LEU 33 54.089 2.315 8.026
282 H TRP 34 H TRP 34 52.477 -0.609 6.450
283 HA TRP 34 HA TRP 34 54.626 -1.405 8.086
284 HB2 TRP 34 1HB TRP 34 52.168 -1.813 8.482
285 HB3 TRP 34 2HB TRP 34 52.272 -3.127 7.327
286 HD1 TRP 34 HD1 TRP 34 53.473 -2.071 10.799
287 HE1 TRP 34 HE1 TRP 34 54.192 -4.176 12.100
288 HE3 TRP 34 HE3 TRP 34 53.101 -5.565 7.094
289 HZ2 TRP 34 HZ2 TRP 34 54.560 -6.977 11.631
290 HZ3 TRP 34 HZ3 TRP 34 53.640 -7.938 7.546
291 HH2 TRP 34 HH2 TRP 34 54.369 -8.650 9.805
292 H ALA 35 H ALA 35 53.489 -2.685 4.990
293 HA ALA 35 HA ALA 35 55.237 -4.892 4.825
294 HB1 ALA 35 1HB ALA 35 53.275 -4.118 3.262
295 HB2 ALA 35 2HB ALA 35 54.625 -5.035 2.593
296 HB3 ALA 35 3HB ALA 35 54.561 -3.285 2.390
297 H ALA 36 H ALA 36 55.695 -1.488 3.983
298 HA ALA 36 HA ALA 36 58.176 -1.740 2.688
299 HB1 ALA 36 1HB ALA 36 57.629 0.653 4.392
300 HB2 ALA 36 2HB ALA 36 56.555 0.325 3.031
301 HB3 ALA 36 3HB ALA 36 58.282 0.565 2.757
302 H ALA 37 H ALA 37 57.382 -1.336 6.121
303 HA ALA 37 HA ALA 37 60.032 -1.166 7.072
304 HB1 ALA 37 1HB ALA 37 59.135 -1.366 9.188
305 HB2 ALA 37 2HB ALA 37 57.947 -2.569 8.686
306 HB3 ALA 37 3HB ALA 37 57.705 -0.869 8.283
307 H TRP 38 H TRP 38 57.951 -3.957 6.457
308 HA TRP 38 HA TRP 38 59.577 -5.984 7.444
309 HB2 TRP 38 1HB TRP 38 57.254 -6.268 6.649
310 HB3 TRP 38 2HB TRP 38 57.819 -6.101 4.998
311 HD1 TRP 38 HD1 TRP 38 58.356 -8.271 3.808
312 HE1 TRP 38 HE1 TRP 38 58.844 -10.697 4.526
313 HE3 TRP 38 HE3 TRP 38 58.440 -7.690 8.881
314 HZ2 TRP 38 HZ2 TRP 38 59.223 -12.197 6.937
315 HZ3 TRP 38 HZ3 TRP 38 58.867 -9.628 10.361
316 HH2 TRP 38 HH2 TRP 38 59.258 -11.878 9.400
317 H HIS 39 H HIS 39 59.834 -4.267 4.357
318 HA HIS 39 HA HIS 39 62.058 -5.884 3.468
319 HB2 HIS 39 1HB HIS 39 61.138 -3.128 2.621
320 HB3 HIS 39 2HB HIS 39 62.388 -4.058 1.817
321 HD1 HIS 39 HD1 HIS 39 58.686 -3.795 2.242
322 HD2 HIS 39 HD2 HIS 39 61.405 -6.250 0.251
323 HE1 HIS 39 HE1 HIS 39 57.335 -5.186 0.616
324 H GLY 40 H GLY 40 61.928 -2.421 4.310
325 HA2 GLY 40 1HA GLY 40 63.994 -2.905 6.335
326 HA3 GLY 40 2HA GLY 40 64.274 -1.631 5.149
327 H GLN 41 H GLN 41 62.976 -2.260 8.186
328 HA GLN 41 HA GLN 41 61.148 -0.272 8.602
329 HB2 GLN 41 1HB GLN 41 62.101 -1.755 10.365
330 HB3 GLN 41 2HB GLN 41 63.556 -0.758 10.367
331 HG2 GLN 41 1HG GLN 41 62.232 1.213 10.984
332 HG3 GLN 41 2HG GLN 41 60.755 0.254 10.933
333 HE21 GLN 41 1HE2 GLN 41 61.257 1.499 13.326
334 HE22 GLN 41 2HE2 GLN 41 61.797 0.387 14.489
335 H LYS 42 H LYS 42 61.159 1.942 8.936
336 HA LYS 42 HA LYS 42 62.759 3.445 7.239
337 HB2 LYS 42 1HB LYS 42 61.117 4.276 9.634
338 HB3 LYS 42 2HB LYS 42 61.877 5.429 8.536
339 HG2 LYS 42 1HG LYS 42 60.688 4.097 6.652
340 HG3 LYS 42 2HG LYS 42 59.686 3.443 7.949
341 HD2 LYS 42 1HD LYS 42 58.925 5.633 8.580
342 HD3 LYS 42 2HD LYS 42 60.107 6.412 7.525
343 HE2 LYS 42 1HE LYS 42 58.988 5.652 5.553
344 HE3 LYS 42 2HE LYS 42 57.967 4.549 6.476
345 HZ1 LYS 42 1HZ LYS 42 57.912 7.516 6.548
346 HZ2 LYS 42 2HZ LYS 42 57.031 6.522 7.607
347 HZ3 LYS 42 3HZ LYS 42 56.708 6.487 5.939
348 HA PRO 43 HA PRO 43 66.599 3.954 9.442
349 HB2 PRO 43 1HB PRO 43 66.582 6.827 8.665
350 HB3 PRO 43 2HB PRO 43 67.807 5.581 8.362
351 HG2 PRO 43 1HG PRO 43 66.222 6.482 6.425
352 HG3 PRO 43 2HG PRO 43 66.738 4.787 6.500
353 HD2 PRO 43 1HD PRO 43 64.080 5.972 7.190
354 HD3 PRO 43 2HD PRO 43 64.461 4.395 6.462
355 H GLY 44 H GLY 44 67.300 4.645 11.463
356 HA2 GLY 44 1HA GLY 44 65.416 5.441 13.360
357 HA3 GLY 44 2HA GLY 44 67.158 5.529 13.584
358 H THR 45 H THR 45 67.422 7.430 11.265
359 HA THR 45 HA THR 45 67.314 9.867 12.635
360 HB THR 45 HB THR 45 67.169 9.473 9.636
361 HG1 THR 45 HG1 THR 45 69.320 9.243 9.706
362 HG21 THR 45 1HG2 THR 45 67.859 11.760 11.463
363 HG22 THR 45 2HG2 THR 45 66.826 11.757 10.033
364 HG23 THR 45 3HG2 THR 45 68.578 11.662 9.855
365 H HIS 46 H HIS 46 65.852 11.556 12.671
366 HA HIS 46 HA HIS 46 63.162 11.006 11.549
367 HB2 HIS 46 1HB HIS 46 63.877 12.312 14.177
368 HB3 HIS 46 2HB HIS 46 62.260 12.241 13.504
369 HD1 HIS 46 HD1 HIS 46 64.835 10.202 15.269
370 HD2 HIS 46 HD2 HIS 46 61.046 9.636 13.624
371 HE1 HIS 46 HE1 HIS 46 64.011 7.966 16.122
Start of MODEL 3
1 H ARG 1 3H ARG 1 47.955 13.051 -10.125
2 HA ARG 1 HA ARG 1 48.011 15.345 -9.425
3 HB2 ARG 1 1HB ARG 1 45.464 14.537 -10.860
4 HB3 ARG 1 2HB ARG 1 46.148 16.164 -10.856
5 HG2 ARG 1 1HG ARG 1 48.244 15.252 -11.845
6 HG3 ARG 1 2HG ARG 1 47.482 13.663 -11.933
7 HD2 ARG 1 1HD ARG 1 45.650 14.704 -13.313
8 HD3 ARG 1 2HD ARG 1 46.597 16.187 -13.352
9 HE ARG 1 HE ARG 1 47.896 15.215 -14.981
10 HH11 ARG 1 1HH1 ARG 1 46.382 12.621 -13.160
11 HH12 ARG 1 2HH1 ARG 1 47.037 11.388 -14.186
12 HH21 ARG 1 1HH2 ARG 1 48.705 13.583 -16.265
13 HH22 ARG 1 2HH2 ARG 1 48.333 11.927 -15.922
14 H SER 2 H SER 2 47.523 16.672 -7.805
15 HA SER 2 HA SER 2 45.796 16.036 -5.705
16 HB2 SER 2 1HB SER 2 46.742 18.787 -6.531
17 HB3 SER 2 2HB SER 2 46.143 18.321 -4.943
18 HG SER 2 HG SER 2 48.129 17.760 -4.555
19 H LEU 3 H LEU 3 45.084 17.627 -8.742
20 HA LEU 3 HA LEU 3 42.794 19.066 -8.046
21 HB2 LEU 3 1HB LEU 3 43.976 19.193 -10.228
22 HB3 LEU 3 2HB LEU 3 43.311 17.616 -10.649
23 HG LEU 3 HG LEU 3 41.007 18.573 -10.292
24 HD11 LEU 3 1HD1 LEU 3 41.288 20.451 -8.916
25 HD12 LEU 3 2HD1 LEU 3 41.066 21.184 -10.506
26 HD13 LEU 3 3HD1 LEU 3 42.686 21.027 -9.825
27 HD21 LEU 3 1HD2 LEU 3 41.040 19.913 -12.407
28 HD22 LEU 3 2HD2 LEU 3 41.909 18.384 -12.548
29 HD23 LEU 3 3HD2 LEU 3 42.803 19.892 -12.351
30 H LEU 4 H LEU 4 43.192 15.607 -8.434
31 HA LEU 4 HA LEU 4 40.542 14.871 -8.998
32 HB2 LEU 4 1HB LEU 4 42.874 13.524 -8.682
33 HB3 LEU 4 2HB LEU 4 42.087 13.112 -7.168
34 HG LEU 4 HG LEU 4 41.562 11.418 -8.810
35 HD11 LEU 4 1HD1 LEU 4 39.721 12.358 -7.252
36 HD12 LEU 4 2HD1 LEU 4 39.224 11.338 -8.603
37 HD13 LEU 4 3HD1 LEU 4 39.061 13.091 -8.714
38 HD21 LEU 4 1HD2 LEU 4 40.748 11.830 -10.969
39 HD22 LEU 4 2HD2 LEU 4 41.936 13.114 -10.745
40 HD23 LEU 4 3HD2 LEU 4 40.217 13.462 -10.560
41 H GLU 5 H GLU 5 42.008 15.912 -6.001
42 HA GLU 5 HA GLU 5 39.740 15.067 -4.386
43 HB2 GLU 5 1HB GLU 5 42.105 15.030 -3.566
44 HB3 GLU 5 2HB GLU 5 42.092 16.792 -3.598
45 HG2 GLU 5 1HG GLU 5 40.153 16.783 -2.043
46 HG3 GLU 5 2HG GLU 5 40.235 15.028 -1.977
47 H GLY 6 H GLY 6 40.642 17.913 -6.153
48 HA2 GLY 6 1HA GLY 6 38.884 19.638 -4.593
49 HA3 GLY 6 2HA GLY 6 39.920 20.133 -5.918
50 H GLU 7 H GLU 7 38.135 17.412 -6.896
51 HA GLU 7 HA GLU 7 36.443 19.114 -8.557
52 HB2 GLU 7 1HB GLU 7 37.697 17.142 -9.485
53 HB3 GLU 7 2HB GLU 7 36.658 16.094 -8.520
54 HG2 GLU 7 1HG GLU 7 34.670 17.068 -9.650
55 HG3 GLU 7 2HG GLU 7 35.738 18.041 -10.652
56 H ILE 8 H ILE 8 34.174 18.982 -8.589
57 HA ILE 8 HA ILE 8 33.094 18.503 -5.983
58 HB ILE 8 HB ILE 8 31.109 19.572 -6.625
59 HG12 ILE 8 1HG1 ILE 8 30.601 18.376 -8.711
60 HG13 ILE 8 2HG1 ILE 8 30.449 20.114 -8.916
61 HG21 ILE 8 1HG2 ILE 8 32.893 21.145 -6.429
62 HG22 ILE 8 2HG2 ILE 8 31.896 21.642 -7.796
63 HG23 ILE 8 3HG2 ILE 8 33.435 20.827 -8.077
64 HD11 ILE 8 1HD1 ILE 8 32.737 20.149 -9.931
65 HD12 ILE 8 2HD1 ILE 8 31.590 19.173 -10.846
66 HD13 ILE 8 3HD1 ILE 8 32.777 18.390 -9.806
67 HA PRO 9 HA PRO 9 31.589 14.375 -6.773
68 HB2 PRO 9 1HB PRO 9 29.467 14.228 -5.044
69 HB3 PRO 9 2HB PRO 9 31.160 14.092 -4.530
70 HG2 PRO 9 1HG PRO 9 29.324 16.423 -4.382
71 HG3 PRO 9 2HG PRO 9 30.538 15.861 -3.218
72 HD2 PRO 9 1HD PRO 9 30.982 17.959 -4.900
73 HD3 PRO 9 2HD PRO 9 32.282 16.900 -4.316
74 H PHE 10 H PHE 10 29.980 13.322 -7.995
75 HA PHE 10 HA PHE 10 28.422 14.803 -9.768
76 HB2 PHE 10 1HB PHE 10 28.391 11.953 -8.872
77 HB3 PHE 10 2HB PHE 10 27.090 12.540 -9.890
78 HD1 PHE 10 HD1 PHE 10 27.514 13.218 -12.209
79 HD2 PHE 10 HD2 PHE 10 30.664 11.720 -9.702
80 HE1 PHE 10 HE1 PHE 10 28.946 12.888 -14.206
81 HE2 PHE 10 HE2 PHE 10 32.098 11.390 -11.700
82 HZ PHE 10 HZ PHE 10 31.237 11.973 -13.952
83 HA PRO 11 HA PRO 11 25.286 16.558 -7.513
84 HB2 PRO 11 1HB PRO 11 23.135 15.570 -9.309
85 HB3 PRO 11 2HB PRO 11 23.590 17.230 -8.883
86 HG2 PRO 11 1HG PRO 11 24.151 16.170 -11.267
87 HG3 PRO 11 2HG PRO 11 25.226 17.335 -10.472
88 HD2 PRO 11 1HD PRO 11 25.559 14.387 -10.787
89 HD3 PRO 11 2HD PRO 11 26.787 15.670 -10.722
90 HA PRO 12 HA PRO 12 22.473 12.848 -6.094
91 HB2 PRO 12 1HB PRO 12 24.149 10.560 -6.944
92 HB3 PRO 12 2HB PRO 12 22.387 10.728 -6.943
93 HG2 PRO 12 1HG PRO 12 23.845 10.774 -9.196
94 HG3 PRO 12 2HG PRO 12 22.334 11.679 -9.006
95 HD2 PRO 12 1HD PRO 12 25.139 12.689 -9.003
96 HD3 PRO 12 2HD PRO 12 23.647 13.495 -9.532
97 H THR 13 H THR 13 22.877 12.468 -3.956
98 HA THR 13 HA THR 13 25.373 12.976 -2.777
99 HB THR 13 HB THR 13 23.118 11.343 -1.602
100 HG1 THR 13 HG1 THR 13 23.576 14.142 -1.594
101 HG21 THR 13 1HG2 THR 13 25.297 13.045 -0.358
102 HG22 THR 13 2HG2 THR 13 25.213 11.284 -0.317
103 HG23 THR 13 3HG2 THR 13 23.998 12.245 0.527
104 H SER 14 H SER 14 24.143 10.026 -4.187
105 HA SER 14 HA SER 14 25.354 8.163 -2.460
106 HB2 SER 14 1HB SER 14 24.946 6.534 -4.203
107 HB3 SER 14 2HB SER 14 23.577 7.636 -4.123
108 HG SER 14 HG SER 14 25.576 7.357 -6.058
109 H ILE 15 H ILE 15 26.615 9.854 -5.313
110 HA ILE 15 HA ILE 15 28.937 8.265 -5.622
111 HB ILE 15 HB ILE 15 28.478 11.173 -6.327
112 HG12 ILE 15 1HG1 ILE 15 28.508 9.867 -8.686
113 HG13 ILE 15 2HG1 ILE 15 27.976 8.536 -7.665
114 HG21 ILE 15 1HG2 ILE 15 30.394 10.680 -7.974
115 HG22 ILE 15 2HG2 ILE 15 30.762 9.291 -6.952
116 HG23 ILE 15 3HG2 ILE 15 30.844 10.922 -6.286
117 HD11 ILE 15 1HD1 ILE 15 25.974 9.552 -7.151
118 HD12 ILE 15 2HD1 ILE 15 26.239 10.221 -8.762
119 HD13 ILE 15 3HD1 ILE 15 26.624 11.182 -7.333
120 H LEU 16 H LEU 16 28.232 11.006 -3.475
121 HA LEU 16 HA LEU 16 30.842 11.386 -2.483
122 HB2 LEU 16 1HB LEU 16 28.860 12.859 -2.031
123 HB3 LEU 16 2HB LEU 16 28.265 11.630 -0.916
124 HG LEU 16 HG LEU 16 30.641 11.821 0.162
125 HD11 LEU 16 1HD1 LEU 16 30.480 14.639 -0.861
126 HD12 LEU 16 2HD1 LEU 16 31.254 13.409 -1.858
127 HD13 LEU 16 3HD1 LEU 16 31.875 13.753 -0.244
128 HD21 LEU 16 1HD2 LEU 16 28.753 12.468 1.445
129 HD22 LEU 16 2HD2 LEU 16 28.393 13.825 0.378
130 HD23 LEU 16 3HD2 LEU 16 29.792 13.894 1.448
131 H LEU 17 H LEU 17 28.296 9.087 -1.566
132 HA LEU 17 HA LEU 17 29.590 7.971 0.676
133 HB2 LEU 17 1HB LEU 17 27.219 7.557 -0.069
134 HB3 LEU 17 2HB LEU 17 27.861 6.460 -1.288
135 HG LEU 17 HG LEU 17 28.748 6.086 1.552
136 HD11 LEU 17 1HD1 LEU 17 26.285 6.360 1.692
137 HD12 LEU 17 2HD1 LEU 17 26.783 4.705 2.044
138 HD13 LEU 17 3HD1 LEU 17 26.090 5.102 0.471
139 HD21 LEU 17 1HD2 LEU 17 29.779 4.541 0.141
140 HD22 LEU 17 2HD2 LEU 17 28.385 4.439 -0.932
141 HD23 LEU 17 3HD2 LEU 17 28.355 3.628 0.633
142 H LEU 18 H LEU 18 29.878 7.227 -2.777
143 HA LEU 18 HA LEU 18 31.608 5.016 -2.519
144 HB2 LEU 18 1HB LEU 18 31.107 7.005 -4.706
145 HB3 LEU 18 2HB LEU 18 32.435 5.854 -4.852
146 HG LEU 18 HG LEU 18 30.748 4.025 -4.310
147 HD11 LEU 18 1HD1 LEU 18 28.876 6.363 -4.742
148 HD12 LEU 18 2HD1 LEU 18 28.959 5.297 -3.339
149 HD13 LEU 18 3HD1 LEU 18 28.361 4.683 -4.881
150 HD21 LEU 18 1HD2 LEU 18 30.480 5.715 -6.811
151 HD22 LEU 18 2HD2 LEU 18 29.747 4.120 -6.640
152 HD23 LEU 18 3HD2 LEU 18 31.502 4.295 -6.582
153 H LEU 19 H LEU 19 32.276 8.492 -2.523
154 HA LEU 19 HA LEU 19 35.084 8.337 -2.616
155 HB2 LEU 19 1HB LEU 19 33.406 10.348 -1.103
156 HB3 LEU 19 2HB LEU 19 35.090 10.549 -1.583
157 HG LEU 19 HG LEU 19 32.775 10.139 -3.501
158 HD11 LEU 19 1HD1 LEU 19 32.765 12.441 -3.885
159 HD12 LEU 19 2HD1 LEU 19 34.400 12.658 -3.259
160 HD13 LEU 19 3HD1 LEU 19 33.059 12.380 -2.148
161 HD21 LEU 19 1HD2 LEU 19 35.749 10.545 -3.840
162 HD22 LEU 19 2HD2 LEU 19 34.619 10.991 -5.119
163 HD23 LEU 19 3HD2 LEU 19 34.719 9.316 -4.574
164 H ALA 20 H ALA 20 32.848 7.977 0.095
165 HA ALA 20 HA ALA 20 34.771 7.870 2.155
166 HB1 ALA 20 1HB ALA 20 33.063 7.114 3.517
167 HB2 ALA 20 2HB ALA 20 32.366 6.095 2.258
168 HB3 ALA 20 3HB ALA 20 32.130 7.843 2.209
169 H CYS 21 H CYS 21 33.453 5.331 0.060
170 HA CYS 21 HA CYS 21 34.803 3.158 1.242
171 HB2 CYS 21 1HB CYS 21 33.947 3.568 -1.633
172 HB3 CYS 21 2HB CYS 21 34.467 2.028 -0.949
173 HG CYS 21 HG CYS 21 31.898 2.052 -0.670
174 H ILE 22 H ILE 22 35.788 5.394 -1.336
175 HA ILE 22 HA ILE 22 38.218 4.124 -1.980
176 HB ILE 22 HB ILE 22 37.553 7.078 -2.107
177 HG12 ILE 22 1HG1 ILE 22 37.399 4.959 -4.269
178 HG13 ILE 22 2HG1 ILE 22 36.006 5.468 -3.321
179 HG21 ILE 22 1HG2 ILE 22 39.642 5.427 -3.571
180 HG22 ILE 22 2HG2 ILE 22 39.980 6.597 -2.295
181 HG23 ILE 22 3HG2 ILE 22 39.315 7.141 -3.835
182 HD11 ILE 22 1HD1 ILE 22 35.859 7.498 -4.376
183 HD12 ILE 22 2HD1 ILE 22 36.655 6.611 -5.672
184 HD13 ILE 22 3HD1 ILE 22 37.602 7.641 -4.602
185 H PHE 23 H PHE 23 37.397 6.408 0.616
186 HA PHE 23 HA PHE 23 40.017 6.904 1.520
187 HB2 PHE 23 1HB PHE 23 37.982 8.072 2.334
188 HB3 PHE 23 2HB PHE 23 37.523 6.617 3.199
189 HD1 PHE 23 HD1 PHE 23 38.724 5.916 5.213
190 HD2 PHE 23 HD2 PHE 23 39.833 9.473 3.076
191 HE1 PHE 23 HE1 PHE 23 40.090 6.652 7.147
192 HE2 PHE 23 HE2 PHE 23 41.199 10.210 5.010
193 HZ PHE 23 HZ PHE 23 41.327 8.799 7.045
194 H LEU 24 H LEU 24 37.793 4.219 2.204
195 HA LEU 24 HA LEU 24 39.432 2.869 4.064
196 HB2 LEU 24 1HB LEU 24 37.571 1.641 2.017
197 HB3 LEU 24 2HB LEU 24 38.183 0.855 3.470
198 HG LEU 24 HG LEU 24 36.494 3.374 3.454
199 HD11 LEU 24 1HD1 LEU 24 35.020 1.653 2.810
200 HD12 LEU 24 2HD1 LEU 24 34.846 1.695 4.564
201 HD13 LEU 24 3HD1 LEU 24 35.841 0.452 3.806
202 HD21 LEU 24 1HD2 LEU 24 36.276 2.677 5.926
203 HD22 LEU 24 2HD2 LEU 24 37.820 3.372 5.432
204 HD23 LEU 24 3HD2 LEU 24 37.661 1.626 5.630
205 H ILE 25 H ILE 25 39.426 2.842 0.516
206 HA ILE 25 HA ILE 25 41.379 0.836 0.178
207 HB ILE 25 HB ILE 25 40.946 3.265 -1.580
208 HG12 ILE 25 1HG1 ILE 25 39.730 0.493 -1.774
209 HG13 ILE 25 2HG1 ILE 25 38.881 1.894 -1.119
210 HG21 ILE 25 1HG2 ILE 25 43.042 2.010 -2.016
211 HG22 ILE 25 2HG2 ILE 25 41.888 1.837 -3.339
212 HG23 ILE 25 3HG2 ILE 25 42.103 0.527 -2.179
213 HD11 ILE 25 1HD1 ILE 25 38.195 1.904 -3.358
214 HD12 ILE 25 2HD1 ILE 25 39.774 1.382 -3.945
215 HD13 ILE 25 3HD1 ILE 25 39.547 3.036 -3.375
216 H LYS 26 H LYS 26 41.700 4.296 0.878
217 HA LYS 26 HA LYS 26 44.489 4.495 0.559
218 HB2 LYS 26 1HB LYS 26 42.956 6.425 0.938
219 HB3 LYS 26 2HB LYS 26 42.801 5.927 2.622
220 HG2 LYS 26 1HG LYS 26 45.201 6.203 2.968
221 HG3 LYS 26 2HG LYS 26 45.426 6.603 1.265
222 HD2 LYS 26 1HD LYS 26 45.364 8.678 2.504
223 HD3 LYS 26 2HD LYS 26 43.860 8.549 1.592
224 HE2 LYS 26 1HE LYS 26 42.589 8.083 3.490
225 HE3 LYS 26 2HE LYS 26 43.976 7.474 4.393
226 HZ1 LYS 26 1HZ LYS 26 43.826 9.501 5.341
227 HZ2 LYS 26 2HZ LYS 26 43.071 10.212 3.995
228 HZ3 LYS 26 3HZ LYS 26 44.752 9.965 3.998
229 H ILE 27 H ILE 27 42.542 3.344 3.295
230 HA ILE 27 HA ILE 27 44.671 2.942 5.103
231 HB ILE 27 HB ILE 27 42.165 1.263 4.812
232 HG12 ILE 27 1HG1 ILE 27 42.696 3.670 6.580
233 HG13 ILE 27 2HG1 ILE 27 41.785 3.740 5.071
234 HG21 ILE 27 1HG2 ILE 27 42.534 0.741 7.180
235 HG22 ILE 27 2HG2 ILE 27 43.989 1.739 7.191
236 HG23 ILE 27 3HG2 ILE 27 43.943 0.258 6.235
237 HD11 ILE 27 1HD1 ILE 27 40.383 1.798 6.139
238 HD12 ILE 27 2HD1 ILE 27 40.080 3.460 6.646
239 HD13 ILE 27 3HD1 ILE 27 41.055 2.393 7.657
240 H LEU 28 H LEU 28 43.454 0.915 2.458
241 HA LEU 28 HA LEU 28 45.079 -1.335 2.928
242 HB2 LEU 28 1HB LEU 28 43.214 -1.199 1.249
243 HB3 LEU 28 2HB LEU 28 44.301 -0.285 0.205
244 HG LEU 28 HG LEU 28 45.948 -2.203 0.414
245 HD11 LEU 28 1HD1 LEU 28 45.256 -3.415 2.301
246 HD12 LEU 28 2HD1 LEU 28 44.656 -4.407 0.972
247 HD13 LEU 28 3HD1 LEU 28 43.554 -3.340 1.844
248 HD21 LEU 28 1HD2 LEU 28 44.819 -3.536 -1.282
249 HD22 LEU 28 2HD2 LEU 28 44.430 -1.837 -1.551
250 HD23 LEU 28 3HD2 LEU 28 43.250 -2.901 -0.787
251 H ALA 29 H ALA 29 45.780 1.703 1.269
252 HA ALA 29 HA ALA 29 48.384 1.072 0.383
253 HB1 ALA 29 1HB ALA 29 46.924 3.159 -0.096
254 HB2 ALA 29 2HB ALA 29 48.671 3.366 0.021
255 HB3 ALA 29 3HB ALA 29 47.639 3.806 1.381
256 H ALA 30 H ALA 30 47.203 2.273 3.496
257 HA ALA 30 HA ALA 30 49.683 2.769 4.709
258 HB1 ALA 30 1HB ALA 30 47.202 3.154 5.535
259 HB2 ALA 30 2HB ALA 30 48.516 2.953 6.693
260 HB3 ALA 30 3HB ALA 30 47.456 1.594 6.319
261 H SER 31 H SER 31 47.863 -0.242 4.328
262 HA SER 31 HA SER 31 49.448 -1.889 5.965
263 HB2 SER 31 1HB SER 31 48.078 -2.643 3.373
264 HB3 SER 31 2HB SER 31 48.604 -3.752 4.634
265 HG SER 31 HG SER 31 46.293 -2.784 4.524
266 H ALA 32 H ALA 32 49.930 -0.790 2.629
267 HA ALA 32 HA ALA 32 52.133 -2.462 2.017
268 HB1 ALA 32 1HB ALA 32 52.030 0.339 0.976
269 HB2 ALA 32 2HB ALA 32 50.733 -0.771 0.533
270 HB3 ALA 32 3HB ALA 32 52.405 -1.161 0.126
271 H LEU 33 H LEU 33 51.943 0.785 3.453
272 HA LEU 33 HA LEU 33 54.704 1.191 3.809
273 HB2 LEU 33 1HB LEU 33 52.860 2.879 4.112
274 HB3 LEU 33 2HB LEU 33 52.519 2.138 5.672
275 HG LEU 33 HG LEU 33 55.359 2.908 5.100
276 HD11 LEU 33 1HD1 LEU 33 53.875 4.845 4.372
277 HD12 LEU 33 2HD1 LEU 33 55.026 5.212 5.657
278 HD13 LEU 33 3HD1 LEU 33 53.327 4.941 6.046
279 HD21 LEU 33 1HD2 LEU 33 55.124 1.954 7.223
280 HD22 LEU 33 2HD2 LEU 33 53.527 2.656 7.471
281 HD23 LEU 33 3HD2 LEU 33 54.965 3.668 7.598
282 H TRP 34 H TRP 34 52.352 -0.597 5.769
283 HA TRP 34 HA TRP 34 53.970 -1.052 8.021
284 HB2 TRP 34 1HB TRP 34 51.532 -1.605 7.813
285 HB3 TRP 34 2HB TRP 34 51.988 -2.995 6.847
286 HD1 TRP 34 HD1 TRP 34 52.599 -5.143 8.088
287 HE1 TRP 34 HE1 TRP 34 52.896 -5.788 10.565
288 HE3 TRP 34 HE3 TRP 34 52.396 -0.514 10.234
289 HZ2 TRP 34 HZ2 TRP 34 53.029 -4.508 13.124
290 HZ3 TRP 34 HZ3 TRP 34 52.610 -0.256 12.686
291 HH2 TRP 34 HH2 TRP 34 52.926 -2.242 14.134
292 H ALA 35 H ALA 35 53.883 -2.684 4.886
293 HA ALA 35 HA ALA 35 55.630 -4.809 5.508
294 HB1 ALA 35 1HB ALA 35 55.812 -3.463 2.844
295 HB2 ALA 35 2HB ALA 35 54.286 -4.215 3.308
296 HB3 ALA 35 3HB ALA 35 55.759 -5.183 3.231
297 H ALA 36 H ALA 36 56.282 -1.508 4.395
298 HA ALA 36 HA ALA 36 59.091 -1.698 4.273
299 HB1 ALA 36 1HB ALA 36 57.406 0.700 5.036
300 HB2 ALA 36 2HB ALA 36 57.849 0.235 3.394
301 HB3 ALA 36 3HB ALA 36 59.094 0.750 4.531
302 H ALA 37 H ALA 37 56.930 -1.008 6.992
303 HA ALA 37 HA ALA 37 58.908 -0.521 8.926
304 HB1 ALA 37 1HB ALA 37 56.254 -1.852 9.460
305 HB2 ALA 37 2HB ALA 37 56.418 -0.122 9.153
306 HB3 ALA 37 3HB ALA 37 57.201 -0.848 10.559
307 H TRP 38 H TRP 38 57.514 -3.536 7.757
308 HA TRP 38 HA TRP 38 58.565 -5.317 9.612
309 HB2 TRP 38 1HB TRP 38 56.975 -5.799 7.706
310 HB3 TRP 38 2HB TRP 38 58.377 -5.850 6.655
311 HD1 TRP 38 HD1 TRP 38 59.601 -8.086 6.474
312 HE1 TRP 38 HE1 TRP 38 59.464 -10.345 7.706
313 HE3 TRP 38 HE3 TRP 38 56.416 -6.831 10.262
314 HZ2 TRP 38 HZ2 TRP 38 58.171 -11.474 10.000
315 HZ3 TRP 38 HZ3 TRP 38 55.750 -8.512 11.952
316 HH2 TRP 38 HH2 TRP 38 56.620 -10.829 11.829
317 H HIS 39 H HIS 39 60.199 -3.776 6.855
318 HA HIS 39 HA HIS 39 62.700 -5.096 7.446
319 HB2 HIS 39 1HB HIS 39 61.989 -2.646 5.837
320 HB3 HIS 39 2HB HIS 39 63.648 -3.166 6.069
321 HD1 HIS 39 HD1 HIS 39 64.017 -5.832 5.304
322 HD2 HIS 39 HD2 HIS 39 60.841 -3.738 3.598
323 HE1 HIS 39 HE1 HIS 39 63.372 -7.095 3.207
324 H GLY 40 H GLY 40 61.864 -1.618 7.704
325 HA2 GLY 40 1HA GLY 40 62.553 -1.770 10.554
326 HA3 GLY 40 2HA GLY 40 63.345 -0.533 9.583
327 H GLN 41 H GLN 41 60.667 -1.132 11.530
328 HA GLN 41 HA GLN 41 58.780 0.653 10.635
329 HB2 GLN 41 1HB GLN 41 58.184 1.045 12.952
330 HB3 GLN 41 2HB GLN 41 58.612 -0.648 12.731
331 HG2 GLN 41 1HG GLN 41 60.955 -0.036 13.519
332 HG3 GLN 41 2HG GLN 41 60.294 1.533 13.983
333 HE21 GLN 41 1HE2 GLN 41 60.304 1.335 16.267
334 HE22 GLN 41 2HE2 GLN 41 59.468 0.118 17.105
335 H LYS 42 H LYS 42 58.518 2.815 10.472
336 HA LYS 42 HA LYS 42 60.697 4.539 10.268
337 HB2 LYS 42 1HB LYS 42 57.738 4.926 10.518
338 HB3 LYS 42 2HB LYS 42 58.793 6.333 10.635
339 HG2 LYS 42 1HG LYS 42 59.102 4.363 8.375
340 HG3 LYS 42 2HG LYS 42 57.911 5.663 8.286
341 HD2 LYS 42 1HD LYS 42 59.633 7.343 8.580
342 HD3 LYS 42 2HD LYS 42 60.851 6.102 8.873
343 HE2 LYS 42 1HE LYS 42 60.119 5.209 6.517
344 HE3 LYS 42 2HE LYS 42 59.493 6.843 6.297
345 HZ1 LYS 42 1HZ LYS 42 61.824 7.510 7.178
346 HZ2 LYS 42 2HZ LYS 42 61.634 7.059 5.552
347 HZ3 LYS 42 3HZ LYS 42 62.268 5.952 6.674
348 HA PRO 43 HA PRO 43 61.474 5.617 14.612
349 HB2 PRO 43 1HB PRO 43 62.020 8.367 13.626
350 HB3 PRO 43 2HB PRO 43 63.041 7.290 14.598
351 HG2 PRO 43 1HG PRO 43 63.567 7.768 12.035
352 HG3 PRO 43 2HG PRO 43 63.852 6.178 12.765
353 HD2 PRO 43 1HD PRO 43 61.631 7.038 10.949
354 HD3 PRO 43 2HD PRO 43 62.479 5.477 11.037
355 H GLY 44 H GLY 44 59.370 7.423 12.482
356 HA2 GLY 44 1HA GLY 44 58.176 9.227 14.246
357 HA3 GLY 44 2HA GLY 44 57.408 8.556 12.816
358 H THR 45 H THR 45 57.748 5.765 14.034
359 HA THR 45 HA THR 45 55.135 5.497 14.981
360 HB THR 45 HB THR 45 55.799 3.247 15.693
361 HG1 THR 45 HG1 THR 45 58.433 3.935 14.971
362 HG21 THR 45 1HG2 THR 45 55.414 3.620 13.315
363 HG22 THR 45 2HG2 THR 45 56.759 2.497 13.517
364 HG23 THR 45 3HG2 THR 45 57.072 4.184 13.107
365 H HIS 46 H HIS 46 58.026 6.394 16.740
366 HA HIS 46 HA HIS 46 56.413 6.461 19.226
367 HB2 HIS 46 1HB HIS 46 58.159 4.696 19.284
368 HB3 HIS 46 2HB HIS 46 59.377 5.926 19.007
369 HD1 HIS 46 HD1 HIS 46 56.575 5.288 21.526
370 HD2 HIS 46 HD2 HIS 46 60.443 6.836 21.374
371 HE1 HIS 46 HE1 HIS 46 57.199 5.889 23.904
Start of MODEL 4
1 H ARG 1 3H ARG 1 35.074 -2.996 -21.273
2 HA ARG 1 HA ARG 1 33.103 -4.222 -22.391
3 HB2 ARG 1 1HB ARG 1 35.047 -5.246 -21.188
4 HB3 ARG 1 2HB ARG 1 34.160 -5.070 -19.675
5 HG2 ARG 1 1HG ARG 1 33.719 -7.294 -20.349
6 HG3 ARG 1 2HG ARG 1 32.279 -6.400 -20.836
7 HD2 ARG 1 1HD ARG 1 33.218 -6.177 -23.128
8 HD3 ARG 1 2HD ARG 1 34.612 -7.127 -22.629
9 HE ARG 1 HE ARG 1 33.275 -9.045 -22.628
10 HH11 ARG 1 1HH1 ARG 1 31.273 -6.214 -23.193
11 HH12 ARG 1 2HH1 ARG 1 29.908 -7.158 -23.685
12 HH21 ARG 1 1HH2 ARG 1 31.486 -10.203 -23.271
13 HH22 ARG 1 2HH2 ARG 1 30.027 -9.388 -23.728
14 H SER 2 H SER 2 32.866 -3.312 -18.949
15 HA SER 2 HA SER 2 30.267 -4.219 -18.472
16 HB2 SER 2 1HB SER 2 30.289 -2.839 -16.532
17 HB3 SER 2 2HB SER 2 31.958 -3.339 -16.784
18 HG SER 2 HG SER 2 31.134 -0.919 -16.535
19 H LEU 3 H LEU 3 28.244 -3.205 -18.531
20 HA LEU 3 HA LEU 3 28.071 -0.776 -20.212
21 HB2 LEU 3 1HB LEU 3 26.239 -3.188 -20.289
22 HB3 LEU 3 2HB LEU 3 26.050 -1.722 -21.249
23 HG LEU 3 HG LEU 3 28.477 -3.540 -21.341
24 HD11 LEU 3 1HD1 LEU 3 26.444 -4.617 -22.260
25 HD12 LEU 3 2HD1 LEU 3 27.606 -4.240 -23.533
26 HD13 LEU 3 3HD1 LEU 3 26.185 -3.219 -23.304
27 HD21 LEU 3 1HD2 LEU 3 29.110 -1.320 -21.972
28 HD22 LEU 3 2HD2 LEU 3 27.620 -1.081 -22.885
29 HD23 LEU 3 3HD2 LEU 3 28.854 -2.191 -23.484
30 H LEU 4 H LEU 4 25.274 -2.417 -18.787
31 HA LEU 4 HA LEU 4 24.372 -0.059 -17.577
32 HB2 LEU 4 1HB LEU 4 22.601 -1.279 -16.610
33 HB3 LEU 4 2HB LEU 4 22.895 -1.941 -18.197
34 HG LEU 4 HG LEU 4 22.454 -3.782 -16.810
35 HD11 LEU 4 1HD1 LEU 4 24.441 -5.118 -16.794
36 HD12 LEU 4 2HD1 LEU 4 25.468 -3.690 -16.831
37 HD13 LEU 4 3HD1 LEU 4 24.472 -4.094 -18.227
38 HD21 LEU 4 1HD2 LEU 4 24.543 -3.139 -14.775
39 HD22 LEU 4 2HD2 LEU 4 23.059 -4.079 -14.610
40 HD23 LEU 4 3HD2 LEU 4 22.983 -2.318 -14.689
41 H GLU 5 H GLU 5 26.730 -2.277 -16.470
42 HA GLU 5 HA GLU 5 26.403 -1.574 -13.656
43 HB2 GLU 5 1HB GLU 5 27.017 -3.878 -14.429
44 HB3 GLU 5 2HB GLU 5 28.568 -3.230 -14.957
45 HG2 GLU 5 1HG GLU 5 29.007 -2.455 -12.636
46 HG3 GLU 5 2HG GLU 5 27.485 -3.171 -12.127
47 H GLY 6 H GLY 6 28.154 -0.335 -16.349
48 HA2 GLY 6 1HA GLY 6 30.306 0.759 -14.698
49 HA3 GLY 6 2HA GLY 6 30.216 0.805 -16.451
50 H GLU 7 H GLU 7 27.287 1.792 -14.939
51 HA GLU 7 HA GLU 7 27.763 4.519 -15.852
52 HB2 GLU 7 1HB GLU 7 25.630 3.284 -16.332
53 HB3 GLU 7 2HB GLU 7 25.270 3.340 -14.606
54 HG2 GLU 7 1HG GLU 7 25.421 5.821 -14.683
55 HG3 GLU 7 2HG GLU 7 25.698 5.733 -16.416
56 H ILE 8 H ILE 8 27.567 6.357 -14.544
57 HA ILE 8 HA ILE 8 28.664 5.976 -11.922
58 HB ILE 8 HB ILE 8 28.793 8.443 -11.864
59 HG12 ILE 8 1HG1 ILE 8 27.496 8.301 -14.603
60 HG13 ILE 8 2HG1 ILE 8 26.665 8.829 -13.140
61 HG21 ILE 8 1HG2 ILE 8 30.355 8.666 -13.743
62 HG22 ILE 8 2HG2 ILE 8 29.672 7.229 -14.501
63 HG23 ILE 8 3HG2 ILE 8 30.550 7.090 -12.978
64 HD11 ILE 8 1HD1 ILE 8 29.014 10.143 -14.514
65 HD12 ILE 8 2HD1 ILE 8 28.543 10.544 -12.862
66 HD13 ILE 8 3HD1 ILE 8 27.421 10.828 -14.193
67 HA PRO 9 HA PRO 9 24.730 6.316 -9.778
68 HB2 PRO 9 1HB PRO 9 25.903 7.440 -7.383
69 HB3 PRO 9 2HB PRO 9 25.321 5.793 -7.660
70 HG2 PRO 9 1HG PRO 9 27.951 6.579 -7.334
71 HG3 PRO 9 2HG PRO 9 27.390 5.018 -7.950
72 HD2 PRO 9 1HD PRO 9 28.559 7.294 -9.426
73 HD3 PRO 9 2HD PRO 9 28.473 5.579 -9.875
74 H PHE 10 H PHE 10 23.225 7.962 -9.112
75 HA PHE 10 HA PHE 10 23.411 10.268 -10.626
76 HB2 PHE 10 1HB PHE 10 21.730 9.851 -8.157
77 HB3 PHE 10 2HB PHE 10 21.455 11.067 -9.389
78 HD1 PHE 10 HD1 PHE 10 21.239 7.496 -8.545
79 HD2 PHE 10 HD2 PHE 10 20.555 10.457 -11.582
80 HE1 PHE 10 HE1 PHE 10 19.853 5.876 -9.813
81 HE2 PHE 10 HE2 PHE 10 19.170 8.838 -12.849
82 HZ PHE 10 HZ PHE 10 18.818 6.548 -11.964
83 HA PRO 11 HA PRO 11 26.072 12.977 -8.335
84 HB2 PRO 11 1HB PRO 11 24.270 15.248 -8.937
85 HB3 PRO 11 2HB PRO 11 25.991 15.024 -9.297
86 HG2 PRO 11 1HG PRO 11 24.122 14.849 -11.183
87 HG3 PRO 11 2HG PRO 11 25.578 13.837 -11.205
88 HD2 PRO 11 1HD PRO 11 22.781 13.090 -10.449
89 HD3 PRO 11 2HD PRO 11 24.031 12.137 -11.282
90 HA PRO 12 HA PRO 12 22.835 15.305 -5.484
91 HB2 PRO 12 1HB PRO 12 21.273 12.936 -4.572
92 HB3 PRO 12 2HB PRO 12 20.745 14.611 -4.837
93 HG2 PRO 12 1HG PRO 12 20.134 12.700 -6.564
94 HG3 PRO 12 2HG PRO 12 20.550 14.336 -7.109
95 HD2 PRO 12 1HD PRO 12 22.204 11.848 -7.211
96 HD3 PRO 12 2HD PRO 12 22.139 13.209 -8.351
97 H THR 13 H THR 13 24.124 12.056 -4.848
98 HA THR 13 HA THR 13 25.714 12.987 -2.704
99 HB THR 13 HB THR 13 23.654 13.152 -1.438
100 HG1 THR 13 HG1 THR 13 24.560 12.222 0.204
101 HG21 THR 13 1HG2 THR 13 22.213 11.199 -1.089
102 HG22 THR 13 2HG2 THR 13 23.248 10.231 -2.139
103 HG23 THR 13 3HG2 THR 13 22.321 11.572 -2.809
104 H SER 14 H SER 14 24.248 10.240 -4.365
105 HA SER 14 HA SER 14 25.429 8.189 -2.841
106 HB2 SER 14 1HB SER 14 23.589 7.850 -4.477
107 HB3 SER 14 2HB SER 14 24.734 8.129 -5.785
108 HG SER 14 HG SER 14 25.936 6.345 -4.974
109 H ILE 15 H ILE 15 26.666 10.037 -5.612
110 HA ILE 15 HA ILE 15 28.956 8.453 -6.108
111 HB ILE 15 HB ILE 15 28.662 11.454 -6.427
112 HG12 ILE 15 1HG1 ILE 15 28.193 9.228 -8.434
113 HG13 ILE 15 2HG1 ILE 15 26.905 10.077 -7.579
114 HG21 ILE 15 1HG2 ILE 15 30.448 11.248 -8.066
115 HG22 ILE 15 2HG2 ILE 15 30.491 9.497 -7.854
116 HG23 ILE 15 3HG2 ILE 15 31.006 10.557 -6.543
117 HD11 ILE 15 1HD1 ILE 15 27.022 11.315 -9.549
118 HD12 ILE 15 2HD1 ILE 15 28.766 11.104 -9.697
119 HD13 ILE 15 3HD1 ILE 15 28.112 12.229 -8.506
120 H LEU 16 H LEU 16 28.370 11.070 -3.777
121 HA LEU 16 HA LEU 16 30.991 11.306 -2.786
122 HB2 LEU 16 1HB LEU 16 29.125 12.849 -2.241
123 HB3 LEU 16 2HB LEU 16 28.402 11.588 -1.244
124 HG LEU 16 HG LEU 16 30.553 11.520 0.078
125 HD11 LEU 16 1HD1 LEU 16 31.137 13.777 -1.817
126 HD12 LEU 16 2HD1 LEU 16 32.200 12.481 -1.265
127 HD13 LEU 16 3HD1 LEU 16 31.809 13.820 -0.186
128 HD21 LEU 16 1HD2 LEU 16 28.494 12.789 0.773
129 HD22 LEU 16 2HD2 LEU 16 29.180 14.225 0.011
130 HD23 LEU 16 3HD2 LEU 16 29.992 13.486 1.392
131 H LEU 17 H LEU 17 28.408 9.014 -2.008
132 HA LEU 17 HA LEU 17 29.624 7.810 0.228
133 HB2 LEU 17 1HB LEU 17 27.259 7.477 -0.953
134 HB3 LEU 17 2HB LEU 17 28.091 6.130 -1.716
135 HG LEU 17 HG LEU 17 26.964 5.330 0.269
136 HD11 LEU 17 1HD1 LEU 17 29.821 5.543 1.176
137 HD12 LEU 17 2HD1 LEU 17 29.408 4.612 -0.263
138 HD13 LEU 17 3HD1 LEU 17 28.716 4.175 1.299
139 HD21 LEU 17 1HD2 LEU 17 27.051 7.700 1.329
140 HD22 LEU 17 2HD2 LEU 17 28.599 7.176 1.992
141 HD23 LEU 17 3HD2 LEU 17 27.124 6.299 2.398
142 H LEU 18 H LEU 18 30.015 7.188 -3.247
143 HA LEU 18 HA LEU 18 31.707 4.940 -3.006
144 HB2 LEU 18 1HB LEU 18 31.767 7.087 -5.140
145 HB3 LEU 18 2HB LEU 18 32.513 5.495 -5.259
146 HG LEU 18 HG LEU 18 29.544 6.017 -4.909
147 HD11 LEU 18 1HD1 LEU 18 30.070 6.612 -7.134
148 HD12 LEU 18 2HD1 LEU 18 29.586 4.921 -7.262
149 HD13 LEU 18 3HD1 LEU 18 31.296 5.351 -7.274
150 HD21 LEU 18 1HD2 LEU 18 30.012 3.901 -3.919
151 HD22 LEU 18 2HD2 LEU 18 31.208 3.501 -5.153
152 HD23 LEU 18 3HD2 LEU 18 29.492 3.523 -5.561
153 H LEU 19 H LEU 19 32.428 8.406 -2.911
154 HA LEU 19 HA LEU 19 35.236 8.174 -2.874
155 HB2 LEU 19 1HB LEU 19 33.504 10.261 -1.533
156 HB3 LEU 19 2HB LEU 19 35.238 10.402 -1.811
157 HG LEU 19 HG LEU 19 33.166 10.031 -3.998
158 HD11 LEU 19 1HD1 LEU 19 32.814 12.230 -3.257
159 HD12 LEU 19 2HD1 LEU 19 34.032 12.451 -4.510
160 HD13 LEU 19 3HD1 LEU 19 34.506 12.452 -2.812
161 HD21 LEU 19 1HD2 LEU 19 35.177 10.811 -5.399
162 HD22 LEU 19 2HD2 LEU 19 35.252 9.166 -4.770
163 HD23 LEU 19 3HD2 LEU 19 36.163 10.453 -3.981
164 H ALA 20 H ALA 20 32.873 7.882 -0.270
165 HA ALA 20 HA ALA 20 34.718 7.822 1.866
166 HB1 ALA 20 1HB ALA 20 32.826 6.285 2.893
167 HB2 ALA 20 2HB ALA 20 31.927 6.831 1.479
168 HB3 ALA 20 3HB ALA 20 32.553 8.007 2.634
169 H CYS 21 H CYS 21 33.448 5.233 -0.201
170 HA CYS 21 HA CYS 21 34.703 3.083 1.117
171 HB2 CYS 21 1HB CYS 21 34.018 3.408 -1.814
172 HB3 CYS 21 2HB CYS 21 34.463 1.884 -1.044
173 HG CYS 21 HG CYS 21 31.832 3.460 -0.458
174 H ILE 22 H ILE 22 35.851 5.222 -1.480
175 HA ILE 22 HA ILE 22 38.300 3.912 -1.948
176 HB ILE 22 HB ILE 22 37.685 6.871 -2.192
177 HG12 ILE 22 1HG1 ILE 22 37.598 4.693 -4.300
178 HG13 ILE 22 2HG1 ILE 22 36.170 5.258 -3.439
179 HG21 ILE 22 1HG2 ILE 22 39.854 5.122 -3.400
180 HG22 ILE 22 2HG2 ILE 22 40.089 6.455 -2.269
181 HG23 ILE 22 3HG2 ILE 22 39.516 6.778 -3.905
182 HD11 ILE 22 1HD1 ILE 22 36.128 7.269 -4.544
183 HD12 ILE 22 2HD1 ILE 22 36.936 6.315 -5.784
184 HD13 ILE 22 3HD1 ILE 22 37.881 7.347 -4.713
185 H PHE 23 H PHE 23 37.367 6.289 0.520
186 HA PHE 23 HA PHE 23 39.934 6.785 1.556
187 HB2 PHE 23 1HB PHE 23 37.871 8.009 2.199
188 HB3 PHE 23 2HB PHE 23 37.345 6.600 3.097
189 HD1 PHE 23 HD1 PHE 23 38.419 5.974 5.204
190 HD2 PHE 23 HD2 PHE 23 39.696 9.421 2.982
191 HE1 PHE 23 HE1 PHE 23 39.679 6.781 7.182
192 HE2 PHE 23 HE2 PHE 23 40.957 10.228 4.959
193 HZ PHE 23 HZ PHE 23 40.948 8.909 7.059
194 H LEU 24 H LEU 24 37.651 4.142 2.186
195 HA LEU 24 HA LEU 24 39.122 2.865 4.227
196 HB2 LEU 24 1HB LEU 24 37.438 1.558 2.076
197 HB3 LEU 24 2HB LEU 24 37.916 0.830 3.608
198 HG LEU 24 HG LEU 24 36.263 3.360 3.356
199 HD11 LEU 24 1HD1 LEU 24 34.348 2.028 3.912
200 HD12 LEU 24 2HD1 LEU 24 35.348 0.610 4.231
201 HD13 LEU 24 3HD1 LEU 24 35.156 1.201 2.580
202 HD21 LEU 24 1HD2 LEU 24 35.824 2.777 5.813
203 HD22 LEU 24 2HD2 LEU 24 37.442 3.373 5.437
204 HD23 LEU 24 3HD2 LEU 24 37.172 1.647 5.681
205 H ILE 25 H ILE 25 39.408 2.685 0.696
206 HA ILE 25 HA ILE 25 41.392 0.682 0.601
207 HB ILE 25 HB ILE 25 41.089 3.038 -1.280
208 HG12 ILE 25 1HG1 ILE 25 39.910 0.248 -1.464
209 HG13 ILE 25 2HG1 ILE 25 39.004 1.666 -0.935
210 HG21 ILE 25 1HG2 ILE 25 42.211 1.602 -2.893
211 HG22 ILE 25 2HG2 ILE 25 42.277 0.283 -1.724
212 HG23 ILE 25 3HG2 ILE 25 43.226 1.747 -1.458
213 HD11 ILE 25 1HD1 ILE 25 38.498 1.596 -3.217
214 HD12 ILE 25 2HD1 ILE 25 40.114 1.043 -3.658
215 HD13 ILE 25 3HD1 ILE 25 39.857 2.720 -3.178
216 H LYS 26 H LYS 26 41.639 4.175 1.167
217 HA LYS 26 HA LYS 26 44.445 4.372 1.093
218 HB2 LYS 26 1HB LYS 26 42.881 6.312 1.240
219 HB3 LYS 26 2HB LYS 26 42.595 5.903 2.932
220 HG2 LYS 26 1HG LYS 26 45.032 6.119 3.373
221 HG3 LYS 26 2HG LYS 26 45.270 6.617 1.698
222 HD2 LYS 26 1HD LYS 26 43.665 8.506 2.092
223 HD3 LYS 26 2HD LYS 26 43.622 8.054 3.798
224 HE2 LYS 26 1HE LYS 26 45.945 8.535 4.083
225 HE3 LYS 26 2HE LYS 26 46.202 8.662 2.343
226 HZ1 LYS 26 1HZ LYS 26 44.225 10.431 3.579
227 HZ2 LYS 26 2HZ LYS 26 45.249 10.706 2.251
228 HZ3 LYS 26 3HZ LYS 26 45.866 10.779 3.832
229 H ILE 27 H ILE 27 42.269 3.299 3.677
230 HA ILE 27 HA ILE 27 44.199 3.086 5.724
231 HB ILE 27 HB ILE 27 41.809 1.280 5.257
232 HG12 ILE 27 1HG1 ILE 27 42.026 3.801 6.931
233 HG13 ILE 27 2HG1 ILE 27 41.303 3.750 5.323
234 HG21 ILE 27 1HG2 ILE 27 43.267 1.991 7.819
235 HG22 ILE 27 2HG2 ILE 27 43.500 0.483 6.934
236 HG23 ILE 27 3HG2 ILE 27 41.930 0.855 7.647
237 HD11 ILE 27 1HD1 ILE 27 39.817 1.854 6.262
238 HD12 ILE 27 2HD1 ILE 27 39.460 3.501 6.784
239 HD13 ILE 27 3HD1 ILE 27 40.343 2.410 7.851
240 H LEU 28 H LEU 28 43.301 0.829 3.131
241 HA LEU 28 HA LEU 28 45.065 -1.253 3.844
242 HB2 LEU 28 1HB LEU 28 44.299 -0.412 1.041
243 HB3 LEU 28 2HB LEU 28 44.947 -1.975 1.525
244 HG LEU 28 HG LEU 28 42.345 -0.807 2.554
245 HD11 LEU 28 1HD1 LEU 28 42.967 -2.820 0.383
246 HD12 LEU 28 2HD1 LEU 28 42.001 -1.350 0.254
247 HD13 LEU 28 3HD1 LEU 28 41.388 -2.732 1.164
248 HD21 LEU 28 1HD2 LEU 28 43.786 -3.439 2.946
249 HD22 LEU 28 2HD2 LEU 28 42.058 -3.265 3.250
250 HD23 LEU 28 3HD2 LEU 28 43.216 -2.317 4.182
251 H ALA 29 H ALA 29 45.649 1.769 2.131
252 HA ALA 29 HA ALA 29 48.286 1.258 1.289
253 HB1 ALA 29 1HB ALA 29 47.444 3.978 2.232
254 HB2 ALA 29 2HB ALA 29 46.696 3.273 0.799
255 HB3 ALA 29 3HB ALA 29 48.440 3.537 0.844
256 H ALA 30 H ALA 30 47.022 2.474 4.370
257 HA ALA 30 HA ALA 30 49.493 3.066 5.585
258 HB1 ALA 30 1HB ALA 30 48.128 2.364 7.737
259 HB2 ALA 30 2HB ALA 30 46.774 2.354 6.606
260 HB3 ALA 30 3HB ALA 30 47.712 3.827 6.845
261 H SER 31 H SER 31 47.668 0.027 5.382
262 HA SER 31 HA SER 31 49.434 -1.590 6.860
263 HB2 SER 31 1HB SER 31 47.859 -2.385 4.401
264 HB3 SER 31 2HB SER 31 48.498 -3.469 5.631
265 HG SER 31 HG SER 31 46.733 -1.326 6.208
266 H ALA 32 H ALA 32 49.596 -0.431 3.518
267 HA ALA 32 HA ALA 32 51.707 -2.091 2.639
268 HB1 ALA 32 1HB ALA 32 51.435 0.757 1.727
269 HB2 ALA 32 2HB ALA 32 50.198 -0.429 1.309
270 HB3 ALA 32 3HB ALA 32 51.867 -0.674 0.792
271 H LEU 33 H LEU 33 51.713 1.065 4.287
272 HA LEU 33 HA LEU 33 54.495 1.481 4.280
273 HB2 LEU 33 1HB LEU 33 52.502 2.250 6.425
274 HB3 LEU 33 2HB LEU 33 54.108 2.943 6.209
275 HG LEU 33 HG LEU 33 51.907 3.032 4.126
276 HD11 LEU 33 1HD1 LEU 33 51.191 4.475 5.862
277 HD12 LEU 33 2HD1 LEU 33 52.036 5.539 4.739
278 HD13 LEU 33 3HD1 LEU 33 52.837 5.003 6.215
279 HD21 LEU 33 1HD2 LEU 33 54.707 4.159 4.303
280 HD22 LEU 33 2HD2 LEU 33 53.497 4.844 3.218
281 HD23 LEU 33 3HD2 LEU 33 54.010 3.169 3.020
282 H TRP 34 H TRP 34 52.436 -0.423 6.461
283 HA TRP 34 HA TRP 34 54.430 -1.205 8.292
284 HB2 TRP 34 1HB TRP 34 51.913 -1.671 8.355
285 HB3 TRP 34 2HB TRP 34 52.256 -3.035 7.307
286 HD1 TRP 34 HD1 TRP 34 52.808 -5.216 8.479
287 HE1 TRP 34 HE1 TRP 34 53.489 -5.901 10.868
288 HE3 TRP 34 HE3 TRP 34 53.363 -0.602 10.593
289 HZ2 TRP 34 HZ2 TRP 34 54.181 -4.654 13.353
290 HZ3 TRP 34 HZ3 TRP 34 54.032 -0.378 12.965
291 HH2 TRP 34 HH2 TRP 34 54.441 -2.393 14.348
292 H ALA 35 H ALA 35 53.661 -2.424 5.063
293 HA ALA 35 HA ALA 35 55.456 -4.594 5.017
294 HB1 ALA 35 1HB ALA 35 53.684 -3.759 3.258
295 HB2 ALA 35 2HB ALA 35 55.107 -4.656 2.730
296 HB3 ALA 35 3HB ALA 35 55.066 -2.899 2.581
297 H ALA 36 H ALA 36 55.966 -1.146 4.417
298 HA ALA 36 HA ALA 36 58.622 -1.285 3.506
299 HB1 ALA 36 1HB ALA 36 57.701 0.940 5.298
300 HB2 ALA 36 2HB ALA 36 56.995 0.749 3.694
301 HB3 ALA 36 3HB ALA 36 58.730 1.016 3.868
302 H ALA 37 H ALA 37 57.302 -1.175 6.796
303 HA ALA 37 HA ALA 37 59.768 -1.114 8.172
304 HB1 ALA 37 1HB ALA 37 57.064 -2.213 8.942
305 HB2 ALA 37 2HB ALA 37 57.774 -0.665 9.399
306 HB3 ALA 37 3HB ALA 37 58.435 -2.164 10.051
307 H TRP 38 H TRP 38 57.826 -3.829 6.988
308 HA TRP 38 HA TRP 38 59.313 -5.929 8.058
309 HB2 TRP 38 1HB TRP 38 57.623 -5.686 5.602
310 HB3 TRP 38 2HB TRP 38 58.516 -7.159 5.912
311 HD1 TRP 38 HD1 TRP 38 55.403 -5.326 6.821
312 HE1 TRP 38 HE1 TRP 38 54.076 -6.674 8.571
313 HE3 TRP 38 HE3 TRP 38 58.908 -8.813 8.097
314 HZ2 TRP 38 HZ2 TRP 38 54.450 -8.931 10.293
315 HZ3 TRP 38 HZ3 TRP 38 58.400 -10.546 9.790
316 HH2 TRP 38 HH2 TRP 38 56.179 -10.611 10.889
317 H HIS 39 H HIS 39 60.013 -3.968 5.195
318 HA HIS 39 HA HIS 39 62.339 -5.531 4.506
319 HB2 HIS 39 1HB HIS 39 61.172 -4.080 2.869
320 HB3 HIS 39 2HB HIS 39 61.638 -2.672 3.805
321 HD1 HIS 39 HD1 HIS 39 64.058 -1.837 3.573
322 HD2 HIS 39 HD2 HIS 39 63.301 -5.307 1.392
323 HE1 HIS 39 HE1 HIS 39 66.051 -2.174 2.049
324 H GLY 40 H GLY 40 62.140 -2.141 5.625
325 HA2 GLY 40 1HA GLY 40 63.787 -2.904 7.930
326 HA3 GLY 40 2HA GLY 40 64.314 -1.535 6.952
327 H GLN 41 H GLN 41 62.437 -2.400 9.618
328 HA GLN 41 HA GLN 41 60.691 -0.297 9.872
329 HB2 GLN 41 1HB GLN 41 61.078 -0.423 12.281
330 HB3 GLN 41 2HB GLN 41 61.054 -2.038 11.583
331 HG2 GLN 41 1HG GLN 41 63.531 -2.039 11.513
332 HG3 GLN 41 2HG GLN 41 63.542 -0.445 12.264
333 HE21 GLN 41 1HE2 GLN 41 63.249 -0.331 14.541
334 HE22 GLN 41 2HE2 GLN 41 63.004 -1.698 15.518
335 H LYS 42 H LYS 42 60.822 1.883 10.450
336 HA LYS 42 HA LYS 42 62.902 3.344 9.317
337 HB2 LYS 42 1HB LYS 42 60.500 4.034 9.898
338 HB3 LYS 42 2HB LYS 42 61.159 4.473 11.475
339 HG2 LYS 42 1HG LYS 42 62.510 6.155 10.598
340 HG3 LYS 42 2HG LYS 42 62.552 5.426 8.992
341 HD2 LYS 42 1HD LYS 42 60.327 6.126 8.504
342 HD3 LYS 42 2HD LYS 42 60.008 6.538 10.190
343 HE2 LYS 42 1HE LYS 42 61.833 8.281 10.012
344 HE3 LYS 42 2HE LYS 42 61.875 7.962 8.278
345 HZ1 LYS 42 1HZ LYS 42 60.286 9.510 8.186
346 HZ2 LYS 42 2HZ LYS 42 59.922 9.394 9.842
347 HZ3 LYS 42 3HZ LYS 42 59.246 8.291 8.741
348 HA PRO 43 HA PRO 43 64.750 4.063 13.809
349 HB2 PRO 43 1HB PRO 43 64.627 1.190 14.628
350 HB3 PRO 43 2HB PRO 43 64.569 2.657 15.630
351 HG2 PRO 43 1HG PRO 43 62.366 1.292 15.144
352 HG3 PRO 43 2HG PRO 43 62.350 3.066 15.139
353 HD2 PRO 43 1HD PRO 43 62.301 1.186 12.810
354 HD3 PRO 43 2HD PRO 43 61.471 2.743 13.017
355 H GLY 44 H GLY 44 65.054 1.339 11.656
356 HA2 GLY 44 1HA GLY 44 67.663 0.503 12.133
357 HA3 GLY 44 2HA GLY 44 66.853 0.407 10.577
358 H THR 45 H THR 45 66.567 3.431 10.547
359 HA THR 45 HA THR 45 68.793 4.033 8.969
360 HB THR 45 HB THR 45 67.106 6.004 10.528
361 HG1 THR 45 HG1 THR 45 65.794 5.961 8.696
362 HG21 THR 45 1HG2 THR 45 67.706 7.542 8.723
363 HG22 THR 45 2HG2 THR 45 68.632 6.272 7.921
364 HG23 THR 45 3HG2 THR 45 69.170 6.909 9.476
365 H HIS 46 H HIS 46 70.714 5.109 9.340
366 HA HIS 46 HA HIS 46 71.791 4.831 12.012
367 HB2 HIS 46 1HB HIS 46 72.969 4.398 9.740
368 HB3 HIS 46 2HB HIS 46 73.202 6.136 9.708
369 HD1 HIS 46 HD1 HIS 46 74.925 7.136 11.345
370 HD2 HIS 46 HD2 HIS 46 74.487 3.007 11.722
371 HE1 HIS 46 HE1 HIS 46 76.836 6.344 12.803
Start of MODEL 5
1 H ARG 1 3H ARG 1 3.270 9.672 12.191
2 HA ARG 1 HA ARG 1 5.449 11.504 11.429
3 HB2 ARG 1 1HB ARG 1 5.122 8.489 11.483
4 HB3 ARG 1 2HB ARG 1 6.591 9.342 11.005
5 HG2 ARG 1 1HG ARG 1 6.660 10.416 13.252
6 HG3 ARG 1 2HG ARG 1 5.257 9.457 13.726
7 HD2 ARG 1 1HD ARG 1 6.579 7.389 13.144
8 HD3 ARG 1 2HD ARG 1 7.988 8.424 12.923
9 HE ARG 1 HE ARG 1 7.078 9.075 15.419
10 HH11 ARG 1 1HH1 ARG 1 7.992 6.039 13.912
11 HH12 ARG 1 2HH1 ARG 1 8.497 5.332 15.411
12 HH21 ARG 1 1HH2 ARG 1 7.742 8.111 17.317
13 HH22 ARG 1 2HH2 ARG 1 8.356 6.492 17.315
14 H SER 2 H SER 2 4.570 12.534 9.625
15 HA SER 2 HA SER 2 3.017 11.365 7.616
16 HB2 SER 2 1HB SER 2 3.490 13.833 7.949
17 HB3 SER 2 2HB SER 2 5.049 13.559 7.180
18 HG SER 2 HG SER 2 2.462 13.476 6.125
19 H LEU 3 H LEU 3 3.489 10.415 5.650
20 HA LEU 3 HA LEU 3 5.651 8.649 5.531
21 HB2 LEU 3 1HB LEU 3 4.000 9.722 3.233
22 HB3 LEU 3 2HB LEU 3 4.982 8.259 3.206
23 HG LEU 3 HG LEU 3 2.660 8.739 5.098
24 HD11 LEU 3 1HD1 LEU 3 2.893 7.182 2.510
25 HD12 LEU 3 2HD1 LEU 3 1.770 8.492 2.879
26 HD13 LEU 3 3HD1 LEU 3 1.590 6.927 3.672
27 HD21 LEU 3 1HD2 LEU 3 4.092 7.186 6.147
28 HD22 LEU 3 2HD2 LEU 3 4.574 6.458 4.615
29 HD23 LEU 3 3HD2 LEU 3 2.964 6.155 5.267
30 H LEU 4 H LEU 4 5.516 12.004 4.579
31 HA LEU 4 HA LEU 4 7.509 12.049 2.600
32 HB2 LEU 4 1HB LEU 4 6.573 14.110 4.585
33 HB3 LEU 4 2HB LEU 4 7.840 14.452 3.407
34 HG LEU 4 HG LEU 4 6.139 13.483 1.673
35 HD11 LEU 4 1HD1 LEU 4 3.768 14.130 2.451
36 HD12 LEU 4 2HD1 LEU 4 4.423 14.073 4.087
37 HD13 LEU 4 3HD1 LEU 4 4.435 12.624 3.081
38 HD21 LEU 4 1HD2 LEU 4 5.616 16.159 3.006
39 HD22 LEU 4 2HD2 LEU 4 5.207 15.723 1.347
40 HD23 LEU 4 3HD2 LEU 4 6.898 15.855 1.832
41 H GLU 5 H GLU 5 7.787 11.728 6.063
42 HA GLU 5 HA GLU 5 10.613 12.427 6.081
43 HB2 GLU 5 1HB GLU 5 8.787 11.397 8.257
44 HB3 GLU 5 2HB GLU 5 10.466 11.886 8.498
45 HG2 GLU 5 1HG GLU 5 9.906 14.139 7.603
46 HG3 GLU 5 2HG GLU 5 8.225 13.646 7.465
47 H GLY 6 H GLY 6 8.781 9.540 5.630
48 HA2 GLY 6 1HA GLY 6 10.955 7.806 6.531
49 HA3 GLY 6 2HA GLY 6 9.358 7.290 6.018
50 H GLU 7 H GLU 7 10.730 9.502 3.783
51 HA GLU 7 HA GLU 7 10.965 7.320 1.866
52 HB2 GLU 7 1HB GLU 7 11.140 10.321 1.511
53 HB3 GLU 7 2HB GLU 7 11.160 9.141 0.200
54 HG2 GLU 7 1HG GLU 7 8.944 8.303 0.961
55 HG3 GLU 7 2HG GLU 7 8.917 9.554 2.194
56 H ILE 8 H ILE 8 12.769 6.943 0.577
57 HA ILE 8 HA ILE 8 15.258 7.247 1.967
58 HB ILE 8 HB ILE 8 14.669 5.145 0.860
59 HG12 ILE 8 1HG1 ILE 8 17.037 6.466 -0.497
60 HG13 ILE 8 2HG1 ILE 8 17.064 5.833 1.148
61 HG21 ILE 8 1HG2 ILE 8 14.687 4.998 -1.603
62 HG22 ILE 8 2HG2 ILE 8 14.908 6.744 -1.705
63 HG23 ILE 8 3HG2 ILE 8 13.414 6.081 -1.043
64 HD11 ILE 8 1HD1 ILE 8 16.623 4.281 -1.412
65 HD12 ILE 8 2HD1 ILE 8 16.322 3.604 0.189
66 HD13 ILE 8 3HD1 ILE 8 17.951 4.107 -0.265
67 HA PRO 9 HA PRO 9 16.608 10.844 -0.422
68 HB2 PRO 9 1HB PRO 9 19.407 9.963 -0.077
69 HB3 PRO 9 2HB PRO 9 18.610 11.438 0.497
70 HG2 PRO 9 1HG PRO 9 19.361 9.454 2.140
71 HG3 PRO 9 2HG PRO 9 17.953 10.486 2.452
72 HD2 PRO 9 1HD PRO 9 18.031 7.674 1.424
73 HD3 PRO 9 2HD PRO 9 16.865 8.451 2.521
74 H PHE 10 H PHE 10 17.440 11.291 -2.531
75 HA PHE 10 HA PHE 10 16.836 9.313 -4.371
76 HB2 PHE 10 1HB PHE 10 18.558 11.756 -4.780
77 HB3 PHE 10 2HB PHE 10 17.834 10.803 -6.062
78 HD1 PHE 10 HD1 PHE 10 15.167 10.419 -5.678
79 HD2 PHE 10 HD2 PHE 10 17.488 13.713 -4.191
80 HE1 PHE 10 HE1 PHE 10 13.110 11.795 -5.517
81 HE2 PHE 10 HE2 PHE 10 15.430 15.089 -4.029
82 HZ PHE 10 HZ PHE 10 13.242 14.130 -4.693
83 HA PRO 11 HA PRO 11 20.345 6.663 -4.464
84 HB2 PRO 11 1HB PRO 11 20.245 6.553 -7.422
85 HB3 PRO 11 2HB PRO 11 20.126 5.253 -6.224
86 HG2 PRO 11 1HG PRO 11 18.013 6.134 -7.595
87 HG3 PRO 11 2HG PRO 11 17.887 5.547 -5.927
88 HD2 PRO 11 1HD PRO 11 17.815 8.355 -6.941
89 HD3 PRO 11 2HD PRO 11 16.969 7.618 -5.563
90 HA PRO 12 HA PRO 12 23.410 9.021 -7.492
91 HB2 PRO 12 1HB PRO 12 22.518 11.799 -6.883
92 HB3 PRO 12 2HB PRO 12 23.174 11.122 -8.387
93 HG2 PRO 12 1HG PRO 12 20.592 11.662 -8.140
94 HG3 PRO 12 2HG PRO 12 21.156 10.235 -9.031
95 HD2 PRO 12 1HD PRO 12 19.927 10.384 -6.309
96 HD3 PRO 12 2HD PRO 12 19.775 9.121 -7.550
97 H THR 13 H THR 13 22.180 10.277 -4.421
98 HA THR 13 HA THR 13 24.524 11.481 -3.459
99 HB THR 13 HB THR 13 22.471 9.984 -1.821
100 HG1 THR 13 HG1 THR 13 21.544 12.131 -1.718
101 HG21 THR 13 1HG2 THR 13 24.543 10.666 -0.632
102 HG22 THR 13 2HG2 THR 13 23.132 11.559 -0.065
103 HG23 THR 13 3HG2 THR 13 24.279 12.327 -1.162
104 H SER 14 H SER 14 23.651 8.086 -3.668
105 HA SER 14 HA SER 14 25.439 7.033 -1.778
106 HB2 SER 14 1HB SER 14 25.192 4.930 -2.952
107 HB3 SER 14 2HB SER 14 23.634 5.748 -2.923
108 HG SER 14 HG SER 14 25.456 5.386 -5.036
109 H ILE 15 H ILE 15 25.975 8.169 -5.087
110 HA ILE 15 HA ILE 15 28.490 6.962 -5.518
111 HB ILE 15 HB ILE 15 27.530 9.662 -6.506
112 HG12 ILE 15 1HG1 ILE 15 27.353 6.942 -7.837
113 HG13 ILE 15 2HG1 ILE 15 26.004 7.720 -7.008
114 HG21 ILE 15 1HG2 ILE 15 29.129 9.291 -8.332
115 HG22 ILE 15 2HG2 ILE 15 29.607 7.749 -7.620
116 HG23 ILE 15 3HG2 ILE 15 29.969 9.258 -6.780
117 HD11 ILE 15 1HD1 ILE 15 27.413 8.589 -9.526
118 HD12 ILE 15 2HD1 ILE 15 26.498 9.743 -8.556
119 HD13 ILE 15 3HD1 ILE 15 25.687 8.343 -9.257
120 H LEU 16 H LEU 16 27.576 9.947 -3.797
121 HA LEU 16 HA LEU 16 30.196 10.861 -3.263
122 HB2 LEU 16 1HB LEU 16 27.731 11.103 -1.520
123 HB3 LEU 16 2HB LEU 16 29.195 12.075 -1.382
124 HG LEU 16 HG LEU 16 27.436 11.955 -3.849
125 HD11 LEU 16 1HD1 LEU 16 26.378 13.057 -1.854
126 HD12 LEU 16 2HD1 LEU 16 26.657 14.161 -3.201
127 HD13 LEU 16 3HD1 LEU 16 27.739 14.177 -1.808
128 HD21 LEU 16 1HD2 LEU 16 28.819 14.094 -4.324
129 HD22 LEU 16 2HD2 LEU 16 29.625 12.541 -4.548
130 HD23 LEU 16 3HD2 LEU 16 29.925 13.489 -3.091
131 H LEU 17 H LEU 17 28.142 8.490 -1.592
132 HA LEU 17 HA LEU 17 29.885 7.969 0.559
133 HB2 LEU 17 1HB LEU 17 27.548 7.077 0.340
134 HB3 LEU 17 2HB LEU 17 28.165 5.904 -0.823
135 HG LEU 17 HG LEU 17 29.853 5.204 0.940
136 HD11 LEU 17 1HD1 LEU 17 29.907 6.945 2.503
137 HD12 LEU 17 2HD1 LEU 17 28.884 5.759 3.315
138 HD13 LEU 17 3HD1 LEU 17 28.153 7.138 2.494
139 HD21 LEU 17 1HD2 LEU 17 26.892 4.873 1.524
140 HD22 LEU 17 2HD2 LEU 17 28.170 3.863 2.202
141 HD23 LEU 17 3HD2 LEU 17 27.867 3.853 0.465
142 H LEU 18 H LEU 18 29.914 6.783 -2.770
143 HA LEU 18 HA LEU 18 31.900 4.811 -2.467
144 HB2 LEU 18 1HB LEU 18 30.514 5.196 -4.530
145 HB3 LEU 18 2HB LEU 18 31.538 6.587 -4.887
146 HG LEU 18 HG LEU 18 33.515 4.918 -4.613
147 HD11 LEU 18 1HD1 LEU 18 33.071 2.630 -4.809
148 HD12 LEU 18 2HD1 LEU 18 31.458 2.900 -5.471
149 HD13 LEU 18 3HD1 LEU 18 31.761 3.160 -3.754
150 HD21 LEU 18 1HD2 LEU 18 31.583 4.800 -6.950
151 HD22 LEU 18 2HD2 LEU 18 33.244 4.210 -7.001
152 HD23 LEU 18 3HD2 LEU 18 32.925 5.927 -6.752
153 H LEU 19 H LEU 19 32.165 8.321 -2.938
154 HA LEU 19 HA LEU 19 34.974 8.462 -3.132
155 HB2 LEU 19 1HB LEU 19 33.128 10.434 -1.765
156 HB3 LEU 19 2HB LEU 19 34.765 10.760 -2.326
157 HG LEU 19 HG LEU 19 32.489 9.871 -4.121
158 HD11 LEU 19 1HD1 LEU 19 33.734 12.609 -3.720
159 HD12 LEU 19 2HD1 LEU 19 32.109 12.136 -3.223
160 HD13 LEU 19 3HD1 LEU 19 32.522 12.205 -4.936
161 HD21 LEU 19 1HD2 LEU 19 34.203 10.836 -5.838
162 HD22 LEU 19 2HD2 LEU 19 34.498 9.229 -5.175
163 HD23 LEU 19 3HD2 LEU 19 35.379 10.620 -4.543
164 H ALA 20 H ALA 20 32.863 8.189 -0.305
165 HA ALA 20 HA ALA 20 34.845 8.416 1.686
166 HB1 ALA 20 1HB ALA 20 32.558 6.486 1.944
167 HB2 ALA 20 2HB ALA 20 32.258 8.223 1.905
168 HB3 ALA 20 3HB ALA 20 33.273 7.531 3.171
169 H CYS 21 H CYS 21 33.767 5.627 -0.214
170 HA CYS 21 HA CYS 21 35.330 3.667 1.065
171 HB2 CYS 21 1HB CYS 21 34.592 3.798 -1.869
172 HB3 CYS 21 2HB CYS 21 35.073 2.358 -0.973
173 HG CYS 21 HG CYS 21 32.288 3.425 -1.063
174 H ILE 22 H ILE 22 36.127 5.956 -1.531
175 HA ILE 22 HA ILE 22 38.678 4.941 -2.156
176 HB ILE 22 HB ILE 22 37.770 7.833 -2.175
177 HG12 ILE 22 1HG1 ILE 22 37.754 5.781 -4.409
178 HG13 ILE 22 2HG1 ILE 22 36.327 6.222 -3.470
179 HG21 ILE 22 1HG2 ILE 22 40.229 7.528 -2.372
180 HG22 ILE 22 2HG2 ILE 22 39.521 8.121 -3.874
181 HG23 ILE 22 3HG2 ILE 22 39.970 6.422 -3.721
182 HD11 ILE 22 1HD1 ILE 22 36.880 8.658 -4.133
183 HD12 ILE 22 2HD1 ILE 22 36.202 7.610 -5.379
184 HD13 ILE 22 3HD1 ILE 22 37.934 7.944 -5.355
185 H PHE 23 H PHE 23 37.615 7.136 0.436
186 HA PHE 23 HA PHE 23 40.167 7.746 1.466
187 HB2 PHE 23 1HB PHE 23 38.042 8.813 2.196
188 HB3 PHE 23 2HB PHE 23 37.626 7.335 3.042
189 HD1 PHE 23 HD1 PHE 23 39.916 10.234 2.956
190 HD2 PHE 23 HD2 PHE 23 38.663 6.757 5.145
191 HE1 PHE 23 HE1 PHE 23 41.169 11.032 4.941
192 HE2 PHE 23 HE2 PHE 23 39.917 7.555 7.131
193 HZ PHE 23 HZ PHE 23 41.170 9.693 7.028
194 H LEU 24 H LEU 24 38.053 4.949 2.012
195 HA LEU 24 HA LEU 24 39.644 3.675 3.961
196 HB2 LEU 24 1HB LEU 24 38.010 2.306 1.813
197 HB3 LEU 24 2HB LEU 24 38.547 1.604 3.334
198 HG LEU 24 HG LEU 24 36.716 4.011 3.108
199 HD11 LEU 24 1HD1 LEU 24 35.598 1.972 2.330
200 HD12 LEU 24 2HD1 LEU 24 34.973 2.428 3.915
201 HD13 LEU 24 3HD1 LEU 24 36.132 1.107 3.771
202 HD21 LEU 24 1HD2 LEU 24 37.869 2.419 5.399
203 HD22 LEU 24 2HD2 LEU 24 36.344 3.287 5.583
204 HD23 LEU 24 3HD2 LEU 24 37.819 4.169 5.191
205 H ILE 25 H ILE 25 39.916 3.740 0.433
206 HA ILE 25 HA ILE 25 41.943 1.799 0.173
207 HB ILE 25 HB ILE 25 41.691 4.319 -1.480
208 HG12 ILE 25 1HG1 ILE 25 39.520 3.170 -1.402
209 HG13 ILE 25 2HG1 ILE 25 40.261 2.970 -2.985
210 HG21 ILE 25 1HG2 ILE 25 42.661 2.833 -3.242
211 HG22 ILE 25 2HG2 ILE 25 42.881 1.588 -2.013
212 HG23 ILE 25 3HG2 ILE 25 43.751 3.117 -1.884
213 HD11 ILE 25 1HD1 ILE 25 41.066 0.717 -2.301
214 HD12 ILE 25 2HD1 ILE 25 39.311 0.843 -2.218
215 HD13 ILE 25 3HD1 ILE 25 40.270 0.926 -0.742
216 H LYS 26 H LYS 26 42.116 5.239 1.025
217 HA LYS 26 HA LYS 26 44.922 5.487 1.035
218 HB2 LYS 26 1HB LYS 26 43.321 7.379 1.328
219 HB3 LYS 26 2HB LYS 26 42.995 6.801 2.962
220 HG2 LYS 26 1HG LYS 26 45.416 7.018 3.493
221 HG3 LYS 26 2HG LYS 26 45.686 7.689 1.884
222 HD2 LYS 26 1HD LYS 26 44.025 9.492 2.420
223 HD3 LYS 26 2HD LYS 26 43.945 8.868 4.068
224 HE2 LYS 26 1HE LYS 26 46.620 9.520 2.872
225 HE3 LYS 26 2HE LYS 26 45.611 10.822 3.501
226 HZ1 LYS 26 1HZ LYS 26 47.272 9.269 4.973
227 HZ2 LYS 26 2HZ LYS 26 45.758 8.551 5.249
228 HZ3 LYS 26 3HZ LYS 26 45.993 10.198 5.589
229 H ILE 27 H ILE 27 42.700 4.204 3.487
230 HA ILE 27 HA ILE 27 44.623 3.739 5.501
231 HB ILE 27 HB ILE 27 42.239 1.982 4.897
232 HG12 ILE 27 1HG1 ILE 27 41.500 4.308 5.070
233 HG13 ILE 27 2HG1 ILE 27 41.027 3.424 6.513
234 HG21 ILE 27 1HG2 ILE 27 42.344 1.669 7.405
235 HG22 ILE 27 2HG2 ILE 27 43.910 2.480 7.365
236 HG23 ILE 27 3HG2 ILE 27 43.685 0.957 6.506
237 HD11 ILE 27 1HD1 ILE 27 43.552 4.449 7.164
238 HD12 ILE 27 2HD1 ILE 27 41.997 5.091 7.687
239 HD13 ILE 27 3HD1 ILE 27 42.779 5.743 6.249
240 H LEU 28 H LEU 28 43.731 1.823 2.661
241 HA LEU 28 HA LEU 28 45.301 -0.444 3.214
242 HB2 LEU 28 1HB LEU 28 43.637 -0.236 1.343
243 HB3 LEU 28 2HB LEU 28 44.831 0.722 0.467
244 HG LEU 28 HG LEU 28 46.453 -1.210 0.798
245 HD11 LEU 28 1HD1 LEU 28 43.890 -2.418 1.826
246 HD12 LEU 28 2HD1 LEU 28 45.505 -2.490 2.532
247 HD13 LEU 28 3HD1 LEU 28 45.129 -3.432 1.088
248 HD21 LEU 28 1HD2 LEU 28 45.238 -2.627 -0.975
249 HD22 LEU 28 2HD2 LEU 28 45.519 -0.933 -1.376
250 HD23 LEU 28 3HD2 LEU 28 43.924 -1.460 -0.841
251 H ALA 29 H ALA 29 46.185 2.682 1.837
252 HA ALA 29 HA ALA 29 48.826 2.049 1.082
253 HB1 ALA 29 1HB ALA 29 49.245 4.413 1.103
254 HB2 ALA 29 2HB ALA 29 47.889 4.699 2.192
255 HB3 ALA 29 3HB ALA 29 47.594 4.173 0.535
256 H ALA 30 H ALA 30 47.482 3.127 4.183
257 HA ALA 30 HA ALA 30 49.910 3.318 5.598
258 HB1 ALA 30 1HB ALA 30 47.848 4.147 6.566
259 HB2 ALA 30 2HB ALA 30 48.516 2.908 7.629
260 HB3 ALA 30 3HB ALA 30 47.156 2.526 6.572
261 H SER 31 H SER 31 47.796 0.540 4.977
262 HA SER 31 HA SER 31 49.213 -1.382 6.462
263 HB2 SER 31 1HB SER 31 47.778 -1.810 3.832
264 HB3 SER 31 2HB SER 31 48.157 -3.036 5.036
265 HG SER 31 HG SER 31 45.986 -2.146 5.141
266 H ALA 32 H ALA 32 49.814 -0.029 3.244
267 HA ALA 32 HA ALA 32 51.750 -1.908 2.405
268 HB1 ALA 32 1HB ALA 32 50.596 0.045 1.101
269 HB2 ALA 32 2HB ALA 32 52.246 -0.419 0.682
270 HB3 ALA 32 3HB ALA 32 51.957 0.999 1.690
271 H LEU 33 H LEU 33 52.040 1.120 4.254
272 HA LEU 33 HA LEU 33 54.846 1.137 4.486
273 HB2 LEU 33 1HB LEU 33 53.348 3.013 5.155
274 HB3 LEU 33 2HB LEU 33 52.842 2.068 6.554
275 HG LEU 33 HG LEU 33 55.306 1.918 7.191
276 HD11 LEU 33 1HD1 LEU 33 56.468 2.476 5.223
277 HD12 LEU 33 2HD1 LEU 33 56.593 3.947 6.188
278 HD13 LEU 33 3HD1 LEU 33 55.414 3.848 4.879
279 HD21 LEU 33 1HD2 LEU 33 53.899 3.411 8.429
280 HD22 LEU 33 2HD2 LEU 33 53.836 4.562 7.094
281 HD23 LEU 33 3HD2 LEU 33 55.335 4.339 7.996
282 H TRP 34 H TRP 34 52.366 -0.547 6.396
283 HA TRP 34 HA TRP 34 54.072 -1.640 8.353
284 HB2 TRP 34 1HB TRP 34 51.557 -1.752 8.307
285 HB3 TRP 34 2HB TRP 34 51.701 -3.032 7.117
286 HD1 TRP 34 HD1 TRP 34 51.833 -5.392 8.030
287 HE1 TRP 34 HE1 TRP 34 52.271 -6.450 10.338
288 HE3 TRP 34 HE3 TRP 34 53.046 -1.212 10.699
289 HZ2 TRP 34 HZ2 TRP 34 53.037 -5.631 12.974
290 HZ3 TRP 34 HZ3 TRP 34 53.625 -1.377 13.099
291 HH2 TRP 34 HH2 TRP 34 53.622 -3.576 14.241
292 H ALA 35 H ALA 35 53.412 -2.674 5.038
293 HA ALA 35 HA ALA 35 54.866 -5.087 5.081
294 HB1 ALA 35 1HB ALA 35 53.389 -3.958 3.209
295 HB2 ALA 35 2HB ALA 35 54.686 -5.074 2.779
296 HB3 ALA 35 3HB ALA 35 54.945 -3.333 2.662
297 H ALA 36 H ALA 36 55.919 -1.745 4.594
298 HA ALA 36 HA ALA 36 58.581 -2.273 3.861
299 HB1 ALA 36 1HB ALA 36 59.029 -0.006 4.349
300 HB2 ALA 36 2HB ALA 36 57.771 0.064 5.583
301 HB3 ALA 36 3HB ALA 36 57.330 -0.027 3.878
302 H ALA 37 H ALA 37 57.076 -1.960 7.057
303 HA ALA 37 HA ALA 37 59.437 -2.254 8.580
304 HB1 ALA 37 1HB ALA 37 56.766 -3.315 9.469
305 HB2 ALA 37 2HB ALA 37 57.071 -1.582 9.351
306 HB3 ALA 37 3HB ALA 37 58.041 -2.576 10.439
307 H TRP 38 H TRP 38 57.180 -4.657 7.286
308 HA TRP 38 HA TRP 38 58.266 -6.951 8.436
309 HB2 TRP 38 1HB TRP 38 56.741 -6.428 5.927
310 HB3 TRP 38 2HB TRP 38 57.424 -8.019 6.187
311 HD1 TRP 38 HD1 TRP 38 54.433 -6.025 6.866
312 HE1 TRP 38 HE1 TRP 38 52.932 -7.192 8.607
313 HE3 TRP 38 HE3 TRP 38 57.691 -9.539 8.630
314 HZ2 TRP 38 HZ2 TRP 38 53.092 -9.330 10.504
315 HZ3 TRP 38 HZ3 TRP 38 56.994 -11.124 10.399
316 HH2 TRP 38 HH2 TRP 38 54.703 -11.026 11.339
317 H HIS 39 H HIS 39 59.423 -5.134 5.629
318 HA HIS 39 HA HIS 39 61.524 -7.025 5.061
319 HB2 HIS 39 1HB HIS 39 60.713 -5.433 3.362
320 HB3 HIS 39 2HB HIS 39 61.264 -4.095 4.351
321 HD1 HIS 39 HD1 HIS 39 63.787 -3.570 4.343
322 HD2 HIS 39 HD2 HIS 39 62.780 -6.880 2.017
323 HE1 HIS 39 HE1 HIS 39 65.837 -4.129 2.969
324 H GLY 40 H GLY 40 61.728 -3.662 6.227
325 HA2 GLY 40 1HA GLY 40 63.173 -4.645 8.583
326 HA3 GLY 40 2HA GLY 40 63.905 -3.346 7.640
327 H GLN 41 H GLN 41 61.851 -3.977 10.231
328 HA GLN 41 HA GLN 41 60.294 -1.744 10.426
329 HB2 GLN 41 1HB GLN 41 60.589 -1.852 12.837
330 HB3 GLN 41 2HB GLN 41 60.493 -3.481 12.175
331 HG2 GLN 41 1HG GLN 41 63.041 -3.482 12.134
332 HG3 GLN 41 2HG GLN 41 62.970 -2.001 13.087
333 HE21 GLN 41 1HE2 GLN 41 63.664 -2.774 15.129
334 HE22 GLN 41 2HE2 GLN 41 62.875 -4.013 15.979
335 H LYS 42 H LYS 42 60.548 0.407 11.080
336 HA LYS 42 HA LYS 42 61.490 2.462 10.666
337 HB2 LYS 42 1HB LYS 42 63.479 1.092 12.471
338 HB3 LYS 42 2HB LYS 42 63.619 2.794 12.030
339 HG2 LYS 42 1HG LYS 42 61.543 3.341 13.051
340 HG3 LYS 42 2HG LYS 42 61.072 1.645 13.178
341 HD2 LYS 42 1HD LYS 42 62.534 1.232 14.955
342 HD3 LYS 42 2HD LYS 42 63.564 2.609 14.556
343 HE2 LYS 42 1HE LYS 42 61.628 4.116 15.170
344 HE3 LYS 42 2HE LYS 42 60.792 2.687 15.776
345 HZ1 LYS 42 1HZ LYS 42 62.259 2.437 17.491
346 HZ2 LYS 42 2HZ LYS 42 62.265 4.130 17.348
347 HZ3 LYS 42 3HZ LYS 42 63.532 3.215 16.683
348 HA PRO 43 HA PRO 43 64.339 0.505 7.382
349 HB2 PRO 43 1HB PRO 43 62.782 2.106 5.453
350 HB3 PRO 43 2HB PRO 43 63.174 0.379 5.437
351 HG2 PRO 43 1HG PRO 43 60.710 1.407 5.956
352 HG3 PRO 43 2HG PRO 43 61.270 -0.184 6.482
353 HD2 PRO 43 1HD PRO 43 60.846 2.265 8.078
354 HD3 PRO 43 2HD PRO 43 60.877 0.568 8.593
355 H GLY 44 H GLY 44 66.149 1.509 6.581
356 HA2 GLY 44 1HA GLY 44 66.874 4.109 7.330
357 HA3 GLY 44 2HA GLY 44 67.655 3.172 6.057
358 H THR 45 H THR 45 66.900 6.079 6.219
359 HA THR 45 HA THR 45 64.716 6.688 4.581
360 HB THR 45 HB THR 45 67.339 8.194 4.716
361 HG1 THR 45 HG1 THR 45 66.719 8.864 6.609
362 HG21 THR 45 1HG2 THR 45 65.866 10.139 4.238
363 HG22 THR 45 2HG2 THR 45 64.501 9.037 4.064
364 HG23 THR 45 3HG2 THR 45 65.850 8.956 2.931
365 H HIS 46 H HIS 46 64.458 6.968 2.381
366 HA HIS 46 HA HIS 46 65.959 5.252 0.683
367 HB2 HIS 46 1HB HIS 46 64.059 7.475 -0.076
368 HB3 HIS 46 2HB HIS 46 64.597 6.172 -1.119
369 HD1 HIS 46 HD1 HIS 46 63.910 3.667 -0.143
370 HD2 HIS 46 HD2 HIS 46 61.699 6.929 1.219
371 HE1 HIS 46 HE1 HIS 46 61.756 2.729 0.798
Start of MODEL 6
1 H ARG 1 3H ARG 1 4.201 20.672 9.039
2 HA ARG 1 HA ARG 1 3.659 19.054 10.438
3 HB2 ARG 1 1HB ARG 1 3.747 17.447 7.870
4 HB3 ARG 1 2HB ARG 1 2.955 16.915 9.354
5 HG2 ARG 1 1HG ARG 1 1.549 18.987 9.286
6 HG3 ARG 1 2HG ARG 1 2.265 19.376 7.723
7 HD2 ARG 1 1HD ARG 1 0.668 16.884 8.377
8 HD3 ARG 1 2HD ARG 1 0.107 18.249 7.418
9 HE ARG 1 HE ARG 1 2.525 16.936 6.455
10 HH11 ARG 1 1HH1 ARG 1 -0.969 17.162 6.195
11 HH12 ARG 1 2HH1 ARG 1 -0.996 16.441 4.620
12 HH21 ARG 1 1HH2 ARG 1 2.426 16.015 4.428
13 HH22 ARG 1 2HH2 ARG 1 0.902 15.801 3.633
14 H SER 2 H SER 2 4.260 16.910 11.413
15 HA SER 2 HA SER 2 6.992 16.775 11.991
16 HB2 SER 2 1HB SER 2 6.488 14.704 13.139
17 HB3 SER 2 2HB SER 2 5.173 15.843 13.404
18 HG SER 2 HG SER 2 4.369 13.805 12.808
19 H LEU 3 H LEU 3 5.227 15.336 9.341
20 HA LEU 3 HA LEU 3 6.865 13.163 8.717
21 HB2 LEU 3 1HB LEU 3 4.668 13.687 7.669
22 HB3 LEU 3 2HB LEU 3 5.449 14.979 6.759
23 HG LEU 3 HG LEU 3 7.042 13.254 5.834
24 HD11 LEU 3 1HD1 LEU 3 6.906 11.491 7.429
25 HD12 LEU 3 2HD1 LEU 3 6.105 10.867 5.986
26 HD13 LEU 3 3HD1 LEU 3 5.145 11.450 7.346
27 HD21 LEU 3 1HD2 LEU 3 5.084 14.032 4.553
28 HD22 LEU 3 2HD2 LEU 3 4.083 12.806 5.332
29 HD23 LEU 3 3HD2 LEU 3 5.387 12.321 4.249
30 H LEU 4 H LEU 4 7.487 16.578 8.285
31 HA LEU 4 HA LEU 4 9.320 16.502 6.162
32 HB2 LEU 4 1HB LEU 4 8.334 18.564 7.146
33 HB3 LEU 4 2HB LEU 4 9.373 18.350 8.556
34 HG LEU 4 HG LEU 4 11.354 18.363 6.984
35 HD11 LEU 4 1HD1 LEU 4 10.801 19.533 4.754
36 HD12 LEU 4 2HD1 LEU 4 9.132 19.045 5.054
37 HD13 LEU 4 3HD1 LEU 4 10.391 17.822 4.882
38 HD21 LEU 4 1HD2 LEU 4 11.163 20.870 6.548
39 HD22 LEU 4 2HD2 LEU 4 10.892 20.368 8.218
40 HD23 LEU 4 3HD2 LEU 4 9.520 20.765 7.184
41 H GLU 5 H GLU 5 9.713 15.603 9.521
42 HA GLU 5 HA GLU 5 12.620 15.563 9.355
43 HB2 GLU 5 1HB GLU 5 11.361 16.220 11.419
44 HB3 GLU 5 2HB GLU 5 10.834 14.545 11.568
45 HG2 GLU 5 1HG GLU 5 13.216 13.831 11.636
46 HG3 GLU 5 2HG GLU 5 13.705 15.518 11.563
47 H GLY 6 H GLY 6 10.044 13.318 8.780
48 HA2 GLY 6 1HA GLY 6 11.771 10.991 9.139
49 HA3 GLY 6 2HA GLY 6 10.055 10.965 8.777
50 H GLU 7 H GLU 7 11.701 13.116 6.683
51 HA GLU 7 HA GLU 7 11.208 11.261 4.489
52 HB2 GLU 7 1HB GLU 7 10.468 13.653 4.412
53 HB3 GLU 7 2HB GLU 7 12.166 14.129 4.386
54 HG2 GLU 7 1HG GLU 7 12.489 12.776 2.326
55 HG3 GLU 7 2HG GLU 7 10.776 12.378 2.338
56 H ILE 8 H ILE 8 12.733 10.604 3.011
57 HA ILE 8 HA ILE 8 15.352 10.265 4.097
58 HB ILE 8 HB ILE 8 15.825 8.713 2.408
59 HG12 ILE 8 1HG1 ILE 8 15.176 10.001 0.416
60 HG13 ILE 8 2HG1 ILE 8 14.526 8.368 0.368
61 HG21 ILE 8 1HG2 ILE 8 13.867 7.214 2.399
62 HG22 ILE 8 2HG2 ILE 8 12.870 8.537 3.004
63 HG23 ILE 8 3HG2 ILE 8 14.184 7.899 3.992
64 HD11 ILE 8 1HD1 ILE 8 12.340 9.263 1.196
65 HD12 ILE 8 2HD1 ILE 8 12.817 9.938 -0.360
66 HD13 ILE 8 3HD1 ILE 8 13.016 10.889 1.110
67 HA PRO 9 HA PRO 9 17.248 13.703 1.904
68 HB2 PRO 9 1HB PRO 9 19.803 12.233 1.796
69 HB3 PRO 9 2HB PRO 9 19.405 13.740 2.638
70 HG2 PRO 9 1HG PRO 9 19.871 11.417 3.913
71 HG3 PRO 9 2HG PRO 9 18.791 12.674 4.541
72 HD2 PRO 9 1HD PRO 9 18.089 10.083 3.217
73 HD3 PRO 9 2HD PRO 9 17.266 10.950 4.533
74 H PHE 10 H PHE 10 17.917 14.217 -0.246
75 HA PHE 10 HA PHE 10 16.719 12.621 -2.172
76 HB2 PHE 10 1HB PHE 10 18.884 14.680 -2.607
77 HB3 PHE 10 2HB PHE 10 17.775 14.081 -3.826
78 HD1 PHE 10 HD1 PHE 10 18.163 16.228 -0.869
79 HD2 PHE 10 HD2 PHE 10 15.428 14.774 -3.845
80 HE1 PHE 10 HE1 PHE 10 16.544 18.002 -0.248
81 HE2 PHE 10 HE2 PHE 10 13.810 16.549 -3.226
82 HZ PHE 10 HZ PHE 10 14.369 18.162 -1.426
83 HA PRO 11 HA PRO 11 19.577 9.382 -2.929
84 HB2 PRO 11 1HB PRO 11 19.354 8.984 -5.661
85 HB3 PRO 11 2HB PRO 11 18.245 8.364 -4.427
86 HG2 PRO 11 1HG PRO 11 17.978 10.749 -6.174
87 HG3 PRO 11 2HG PRO 11 16.752 9.579 -5.656
88 HD2 PRO 11 1HD PRO 11 16.945 12.027 -4.519
89 HD3 PRO 11 2HD PRO 11 16.436 10.596 -3.596
90 HA PRO 12 HA PRO 12 22.593 11.350 -6.267
91 HB2 PRO 12 1HB PRO 12 22.593 14.142 -5.227
92 HB3 PRO 12 2HB PRO 12 22.760 13.552 -6.893
93 HG2 PRO 12 1HG PRO 12 20.506 14.662 -6.059
94 HG3 PRO 12 2HG PRO 12 20.496 13.277 -7.170
95 HD2 PRO 12 1HD PRO 12 19.895 13.336 -4.238
96 HD3 PRO 12 2HD PRO 12 19.152 12.360 -5.522
97 H THR 13 H THR 13 22.261 12.239 -2.888
98 HA THR 13 HA THR 13 24.906 12.916 -2.281
99 HB THR 13 HB THR 13 22.975 11.441 -0.484
100 HG1 THR 13 HG1 THR 13 21.847 13.184 -0.628
101 HG21 THR 13 1HG2 THR 13 25.144 11.538 0.523
102 HG22 THR 13 2HG2 THR 13 24.206 12.842 1.250
103 HG23 THR 13 3HG2 THR 13 25.388 13.201 -0.009
104 H SER 14 H SER 14 23.610 9.787 -3.061
105 HA SER 14 HA SER 14 25.176 8.162 -1.390
106 HB2 SER 14 1HB SER 14 24.141 7.511 -4.157
107 HB3 SER 14 2HB SER 14 24.639 6.354 -2.927
108 HG SER 14 HG SER 14 22.377 8.004 -3.062
109 H ILE 15 H ILE 15 25.929 9.693 -4.507
110 HA ILE 15 HA ILE 15 28.201 8.109 -5.085
111 HB ILE 15 HB ILE 15 28.907 9.804 -6.624
112 HG12 ILE 15 1HG1 ILE 15 26.869 11.668 -5.377
113 HG13 ILE 15 2HG1 ILE 15 28.603 11.766 -5.092
114 HG21 ILE 15 1HG2 ILE 15 25.889 9.905 -6.616
115 HG22 ILE 15 2HG2 ILE 15 26.793 8.457 -7.061
116 HG23 ILE 15 3HG2 ILE 15 26.976 9.936 -8.005
117 HD11 ILE 15 1HD1 ILE 15 28.821 11.869 -7.667
118 HD12 ILE 15 2HD1 ILE 15 28.236 13.311 -6.837
119 HD13 ILE 15 3HD1 ILE 15 27.098 12.245 -7.660
120 H LEU 16 H LEU 16 27.810 10.943 -3.002
121 HA LEU 16 HA LEU 16 30.538 11.374 -2.434
122 HB2 LEU 16 1HB LEU 16 28.669 12.881 -1.746
123 HB3 LEU 16 2HB LEU 16 28.216 11.696 -0.521
124 HG LEU 16 HG LEU 16 30.583 11.858 0.369
125 HD11 LEU 16 1HD1 LEU 16 31.631 14.155 -0.304
126 HD12 LEU 16 2HD1 LEU 16 30.624 14.003 -1.744
127 HD13 LEU 16 3HD1 LEU 16 31.842 12.779 -1.387
128 HD21 LEU 16 1HD2 LEU 16 30.164 13.993 1.536
129 HD22 LEU 16 2HD2 LEU 16 28.684 13.040 1.428
130 HD23 LEU 16 3HD2 LEU 16 28.934 14.407 0.342
131 H LEU 17 H LEU 17 28.185 9.100 -1.054
132 HA LEU 17 HA LEU 17 29.853 8.055 0.972
133 HB2 LEU 17 1HB LEU 17 27.785 6.536 -0.633
134 HB3 LEU 17 2HB LEU 17 28.434 6.079 0.939
135 HG LEU 17 HG LEU 17 26.918 8.647 0.390
136 HD11 LEU 17 1HD1 LEU 17 25.077 7.586 1.617
137 HD12 LEU 17 2HD1 LEU 17 26.030 6.115 1.805
138 HD13 LEU 17 3HD1 LEU 17 25.495 6.620 0.202
139 HD21 LEU 17 1HD2 LEU 17 28.304 9.047 2.257
140 HD22 LEU 17 2HD2 LEU 17 28.156 7.388 2.836
141 HD23 LEU 17 3HD2 LEU 17 26.796 8.500 2.988
142 H LEU 18 H LEU 18 29.639 7.283 -2.478
143 HA LEU 18 HA LEU 18 31.395 5.076 -2.476
144 HB2 LEU 18 1HB LEU 18 31.075 7.147 -4.658
145 HB3 LEU 18 2HB LEU 18 31.752 5.532 -4.841
146 HG LEU 18 HG LEU 18 28.925 6.102 -3.904
147 HD11 LEU 18 1HD1 LEU 18 28.214 5.425 -6.118
148 HD12 LEU 18 2HD1 LEU 18 29.873 5.048 -6.584
149 HD13 LEU 18 3HD1 LEU 18 29.396 6.722 -6.303
150 HD21 LEU 18 1HD2 LEU 18 29.503 3.986 -3.058
151 HD22 LEU 18 2HD2 LEU 18 30.546 3.618 -4.432
152 HD23 LEU 18 3HD2 LEU 18 28.793 3.587 -4.622
153 H LEU 19 H LEU 19 32.048 8.556 -2.548
154 HA LEU 19 HA LEU 19 34.833 8.433 -2.937
155 HB2 LEU 19 1HB LEU 19 33.475 10.529 -2.924
156 HB3 LEU 19 2HB LEU 19 33.357 10.394 -1.170
157 HG LEU 19 HG LEU 19 35.894 10.334 -1.112
158 HD11 LEU 19 1HD1 LEU 19 36.793 11.585 -3.266
159 HD12 LEU 19 2HD1 LEU 19 35.398 10.824 -4.030
160 HD13 LEU 19 3HD1 LEU 19 36.632 9.831 -3.255
161 HD21 LEU 19 1HD2 LEU 19 34.357 12.739 -2.112
162 HD22 LEU 19 2HD2 LEU 19 36.046 12.843 -1.618
163 HD23 LEU 19 3HD2 LEU 19 34.815 12.357 -0.453
164 H ALA 20 H ALA 20 32.891 8.012 -0.010
165 HA ALA 20 HA ALA 20 35.005 7.871 1.849
166 HB1 ALA 20 1HB ALA 20 32.543 6.148 2.035
167 HB2 ALA 20 2HB ALA 20 32.465 7.893 2.279
168 HB3 ALA 20 3HB ALA 20 33.463 6.897 3.338
169 H CYS 21 H CYS 21 33.565 5.384 -0.225
170 HA CYS 21 HA CYS 21 35.012 3.182 0.772
171 HB2 CYS 21 1HB CYS 21 34.026 3.708 -2.042
172 HB3 CYS 21 2HB CYS 21 34.579 2.145 -1.438
173 HG CYS 21 HG CYS 21 32.313 1.820 -0.515
174 H ILE 22 H ILE 22 35.828 5.565 -1.729
175 HA ILE 22 HA ILE 22 38.219 4.354 -2.598
176 HB ILE 22 HB ILE 22 37.515 7.300 -2.511
177 HG12 ILE 22 1HG1 ILE 22 37.227 5.271 -4.748
178 HG13 ILE 22 2HG1 ILE 22 35.897 5.797 -3.716
179 HG21 ILE 22 1HG2 ILE 22 39.168 7.542 -4.292
180 HG22 ILE 22 2HG2 ILE 22 39.504 5.811 -4.253
181 HG23 ILE 22 3HG2 ILE 22 39.944 6.825 -2.879
182 HD11 ILE 22 1HD1 ILE 22 36.280 8.138 -4.439
183 HD12 ILE 22 2HD1 ILE 22 35.902 7.085 -5.803
184 HD13 ILE 22 3HD1 ILE 22 37.568 7.584 -5.510
185 H PHE 23 H PHE 23 37.573 6.538 0.134
186 HA PHE 23 HA PHE 23 40.256 6.920 0.911
187 HB2 PHE 23 1HB PHE 23 37.685 6.905 2.460
188 HB3 PHE 23 2HB PHE 23 39.227 7.122 3.261
189 HD1 PHE 23 HD1 PHE 23 37.910 8.400 -0.007
190 HD2 PHE 23 HD2 PHE 23 39.406 9.354 3.904
191 HE1 PHE 23 HE1 PHE 23 37.840 10.814 -0.570
192 HE2 PHE 23 HE2 PHE 23 39.336 11.768 3.341
193 HZ PHE 23 HZ PHE 23 38.553 12.498 1.103
194 H LEU 24 H LEU 24 38.016 4.249 1.554
195 HA LEU 24 HA LEU 24 39.643 2.840 3.375
196 HB2 LEU 24 1HB LEU 24 37.810 1.639 1.286
197 HB3 LEU 24 2HB LEU 24 38.399 0.848 2.744
198 HG LEU 24 HG LEU 24 36.707 3.363 2.730
199 HD11 LEU 24 1HD1 LEU 24 35.995 0.461 3.253
200 HD12 LEU 24 2HD1 LEU 24 35.384 1.477 1.946
201 HD13 LEU 24 3HD1 LEU 24 34.936 1.823 3.617
202 HD21 LEU 24 1HD2 LEU 24 37.947 3.354 4.740
203 HD22 LEU 24 2HD2 LEU 24 37.886 1.597 4.874
204 HD23 LEU 24 3HD2 LEU 24 36.440 2.555 5.189
205 H ILE 25 H ILE 25 39.676 2.932 -0.170
206 HA ILE 25 HA ILE 25 41.649 0.953 -0.565
207 HB ILE 25 HB ILE 25 41.248 3.478 -2.192
208 HG12 ILE 25 1HG1 ILE 25 40.054 0.718 -2.585
209 HG13 ILE 25 2HG1 ILE 25 39.182 2.071 -1.864
210 HG21 ILE 25 1HG2 ILE 25 43.366 2.241 -2.633
211 HG22 ILE 25 2HG2 ILE 25 42.257 2.185 -4.004
212 HG23 ILE 25 3HG2 ILE 25 42.420 0.784 -2.945
213 HD11 ILE 25 1HD1 ILE 25 40.280 1.876 -4.676
214 HD12 ILE 25 2HD1 ILE 25 39.719 3.391 -3.968
215 HD13 ILE 25 3HD1 ILE 25 38.595 2.050 -4.189
216 H LYS 26 H LYS 26 41.932 4.388 0.278
217 HA LYS 26 HA LYS 26 44.734 4.601 0.116
218 HB2 LYS 26 1HB LYS 26 43.068 6.470 0.549
219 HB3 LYS 26 2HB LYS 26 43.045 5.938 2.230
220 HG2 LYS 26 1HG LYS 26 45.624 6.112 2.117
221 HG3 LYS 26 2HG LYS 26 45.357 7.065 0.657
222 HD2 LYS 26 1HD LYS 26 44.017 7.687 3.298
223 HD3 LYS 26 2HD LYS 26 45.540 8.421 2.793
224 HE2 LYS 26 1HE LYS 26 42.949 8.551 1.223
225 HE3 LYS 26 2HE LYS 26 43.588 9.852 2.229
226 HZ1 LYS 26 1HZ LYS 26 44.712 8.733 -0.264
227 HZ2 LYS 26 2HZ LYS 26 45.674 9.622 0.819
228 HZ3 LYS 26 3HZ LYS 26 44.321 10.345 0.088
229 H ILE 27 H ILE 27 42.659 3.312 2.682
230 HA ILE 27 HA ILE 27 44.672 2.910 4.617
231 HB ILE 27 HB ILE 27 42.250 1.155 4.134
232 HG12 ILE 27 1HG1 ILE 27 42.554 3.555 5.963
233 HG13 ILE 27 2HG1 ILE 27 41.758 3.617 4.391
234 HG21 ILE 27 1HG2 ILE 27 42.484 0.566 6.476
235 HG22 ILE 27 2HG2 ILE 27 43.825 1.693 6.667
236 HG23 ILE 27 3HG2 ILE 27 44.021 0.252 5.670
237 HD11 ILE 27 1HD1 ILE 27 40.919 2.056 6.838
238 HD12 ILE 27 2HD1 ILE 27 40.281 1.700 5.233
239 HD13 ILE 27 3HD1 ILE 27 40.002 3.281 5.962
240 H LEU 28 H LEU 28 43.705 0.944 1.834
241 HA LEU 28 HA LEU 28 45.303 -1.310 2.382
242 HB2 LEU 28 1HB LEU 28 44.660 -0.149 -0.338
243 HB3 LEU 28 2HB LEU 28 45.190 -1.793 -0.005
244 HG LEU 28 HG LEU 28 42.651 -0.554 1.096
245 HD11 LEU 28 1HD1 LEU 28 41.453 -1.709 -0.576
246 HD12 LEU 28 2HD1 LEU 28 42.826 -2.740 -0.975
247 HD13 LEU 28 3HD1 LEU 28 42.831 -1.042 -1.451
248 HD21 LEU 28 1HD2 LEU 28 43.987 -3.242 1.331
249 HD22 LEU 28 2HD2 LEU 28 42.231 -3.120 1.441
250 HD23 LEU 28 3HD2 LEU 28 43.250 -2.260 2.596
251 H ALA 29 H ALA 29 46.119 1.777 0.863
252 HA ALA 29 HA ALA 29 48.794 1.156 0.192
253 HB1 ALA 29 1HB ALA 29 49.126 3.471 -0.072
254 HB2 ALA 29 2HB ALA 29 47.917 3.873 1.147
255 HB3 ALA 29 3HB ALA 29 47.413 3.239 -0.420
256 H ALA 30 H ALA 30 47.353 2.338 3.199
257 HA ALA 30 HA ALA 30 49.734 2.901 4.575
258 HB1 ALA 30 1HB ALA 30 47.139 1.881 5.752
259 HB2 ALA 30 2HB ALA 30 47.472 3.566 5.349
260 HB3 ALA 30 3HB ALA 30 48.407 2.759 6.608
261 H SER 31 H SER 31 47.953 -0.132 4.188
262 HA SER 31 HA SER 31 49.406 -1.681 6.034
263 HB2 SER 31 1HB SER 31 48.559 -3.603 4.881
264 HB3 SER 31 2HB SER 31 47.306 -2.368 4.818
265 HG SER 31 HG SER 31 47.464 -2.957 2.751
266 H ALA 32 H ALA 32 50.146 -0.754 2.699
267 HA ALA 32 HA ALA 32 52.309 -2.537 2.301
268 HB1 ALA 32 1HB ALA 32 52.935 -1.121 0.464
269 HB2 ALA 32 2HB ALA 32 52.053 0.246 1.144
270 HB3 ALA 32 3HB ALA 32 51.172 -1.150 0.524
271 H LEU 33 H LEU 33 52.191 0.807 3.523
272 HA LEU 33 HA LEU 33 54.953 1.111 3.971
273 HB2 LEU 33 1HB LEU 33 53.202 2.909 4.070
274 HB3 LEU 33 2HB LEU 33 52.732 2.289 5.651
275 HG LEU 33 HG LEU 33 55.635 2.884 5.191
276 HD11 LEU 33 1HD1 LEU 33 53.561 5.018 5.784
277 HD12 LEU 33 2HD1 LEU 33 54.455 4.863 4.272
278 HD13 LEU 33 3HD1 LEU 33 55.310 5.247 5.766
279 HD21 LEU 33 1HD2 LEU 33 55.270 2.067 7.344
280 HD22 LEU 33 2HD2 LEU 33 53.679 2.815 7.470
281 HD23 LEU 33 3HD2 LEU 33 55.133 3.800 7.629
282 H TRP 34 H TRP 34 52.427 -0.369 5.972
283 HA TRP 34 HA TRP 34 53.948 -0.776 8.302
284 HB2 TRP 34 1HB TRP 34 51.493 -1.156 8.073
285 HB3 TRP 34 2HB TRP 34 51.844 -2.621 7.177
286 HD1 TRP 34 HD1 TRP 34 52.230 -4.756 8.529
287 HE1 TRP 34 HE1 TRP 34 52.425 -5.308 11.039
288 HE3 TRP 34 HE3 TRP 34 52.418 -0.032 10.460
289 HZ2 TRP 34 HZ2 TRP 34 52.631 -3.926 13.540
290 HZ3 TRP 34 HZ3 TRP 34 52.612 0.321 12.901
291 HH2 TRP 34 HH2 TRP 34 52.719 -1.615 14.444
292 H ALA 35 H ALA 35 53.817 -2.617 5.289
293 HA ALA 35 HA ALA 35 55.339 -4.834 6.126
294 HB1 ALA 35 1HB ALA 35 55.676 -5.306 3.819
295 HB2 ALA 35 2HB ALA 35 55.472 -3.613 3.369
296 HB3 ALA 35 3HB ALA 35 54.087 -4.550 3.929
297 H ALA 36 H ALA 36 56.323 -1.692 4.827
298 HA ALA 36 HA ALA 36 59.082 -2.220 4.626
299 HB1 ALA 36 1HB ALA 36 59.383 0.199 4.650
300 HB2 ALA 36 2HB ALA 36 57.762 0.418 5.310
301 HB3 ALA 36 3HB ALA 36 57.972 -0.214 3.676
302 H ALA 37 H ALA 37 57.144 -1.011 7.337
303 HA ALA 37 HA ALA 37 59.262 -0.674 9.168
304 HB1 ALA 37 1HB ALA 37 57.391 -1.082 10.894
305 HB2 ALA 37 2HB ALA 37 56.320 -1.207 9.498
306 HB3 ALA 37 3HB ALA 37 57.213 0.285 9.795
307 H TRP 38 H TRP 38 57.315 -3.502 8.355
308 HA TRP 38 HA TRP 38 58.122 -5.246 10.362
309 HB2 TRP 38 1HB TRP 38 56.321 -5.651 8.695
310 HB3 TRP 38 2HB TRP 38 57.556 -5.962 7.489
311 HD1 TRP 38 HD1 TRP 38 55.824 -7.475 10.493
312 HE1 TRP 38 HE1 TRP 38 56.484 -9.958 10.691
313 HE3 TRP 38 HE3 TRP 38 59.519 -7.689 6.974
314 HZ2 TRP 38 HZ2 TRP 38 58.337 -11.796 9.513
315 HZ3 TRP 38 HZ3 TRP 38 60.713 -9.813 6.534
316 HH2 TRP 38 HH2 TRP 38 60.129 -11.865 7.795
317 H HIS 39 H HIS 39 59.827 -4.377 7.374
318 HA HIS 39 HA HIS 39 62.014 -6.178 7.950
319 HB2 HIS 39 1HB HIS 39 61.580 -5.409 5.659
320 HB3 HIS 39 2HB HIS 39 61.871 -3.751 6.149
321 HD1 HIS 39 HD1 HIS 39 64.324 -3.014 6.455
322 HD2 HIS 39 HD2 HIS 39 63.922 -7.025 5.393
323 HE1 HIS 39 HE1 HIS 39 66.640 -3.826 5.835
324 H GLY 40 H GLY 40 61.965 -2.608 7.789
325 HA2 GLY 40 1HA GLY 40 62.911 -2.554 10.566
326 HA3 GLY 40 2HA GLY 40 63.835 -1.655 9.363
327 H GLN 41 H GLN 41 61.273 -1.409 11.559
328 HA GLN 41 HA GLN 41 59.846 0.737 10.605
329 HB2 GLN 41 1HB GLN 41 59.673 1.521 12.916
330 HB3 GLN 41 2HB GLN 41 59.529 -0.233 12.847
331 HG2 GLN 41 1HG GLN 41 61.919 -0.445 13.457
332 HG3 GLN 41 2HG GLN 41 62.042 1.311 13.555
333 HE21 GLN 41 1HE2 GLN 41 61.215 2.350 15.445
334 HE22 GLN 41 2HE2 GLN 41 60.562 1.494 16.756
335 H LYS 42 H LYS 42 60.152 2.955 10.395
336 HA LYS 42 HA LYS 42 62.635 3.771 9.446
337 HB2 LYS 42 1HB LYS 42 60.278 5.385 10.426
338 HB3 LYS 42 2HB LYS 42 61.689 6.111 9.654
339 HG2 LYS 42 1HG LYS 42 60.235 3.826 8.337
340 HG3 LYS 42 2HG LYS 42 59.651 5.482 8.158
341 HD2 LYS 42 1HD LYS 42 62.555 4.883 7.669
342 HD3 LYS 42 2HD LYS 42 61.370 4.518 6.414
343 HE2 LYS 42 1HE LYS 42 61.316 7.212 7.738
344 HE3 LYS 42 2HE LYS 42 62.514 6.890 6.483
345 HZ1 LYS 42 1HZ LYS 42 60.530 6.021 5.154
346 HZ2 LYS 42 2HZ LYS 42 60.695 7.703 5.326
347 HZ3 LYS 42 3HZ LYS 42 59.569 6.856 6.276
348 HA PRO 43 HA PRO 43 64.948 4.686 13.184
349 HB2 PRO 43 1HB PRO 43 66.039 7.076 11.792
350 HB3 PRO 43 2HB PRO 43 66.894 5.707 12.528
351 HG2 PRO 43 1HG PRO 43 66.716 5.990 9.888
352 HG3 PRO 43 2HG PRO 43 66.682 4.395 10.664
353 HD2 PRO 43 1HD PRO 43 64.413 5.968 9.504
354 HD3 PRO 43 2HD PRO 43 64.686 4.211 9.506
355 H GLY 44 H GLY 44 64.638 5.945 15.001
356 HA2 GLY 44 1HA GLY 44 63.623 7.470 16.395
357 HA3 GLY 44 2HA GLY 44 64.093 8.641 15.170
358 H THR 45 H THR 45 62.064 9.667 16.046
359 HA THR 45 HA THR 45 59.494 8.672 15.587
360 HB THR 45 HB THR 45 60.379 11.555 15.358
361 HG1 THR 45 HG1 THR 45 60.704 11.444 17.412
362 HG21 THR 45 1HG2 THR 45 58.050 11.943 16.227
363 HG22 THR 45 2HG2 THR 45 57.735 10.223 15.998
364 HG23 THR 45 3HG2 THR 45 58.099 11.245 14.607
365 H HIS 46 H HIS 46 61.817 9.965 13.297
366 HA HIS 46 HA HIS 46 59.968 10.572 11.215
367 HB2 HIS 46 1HB HIS 46 62.911 9.901 11.124
368 HB3 HIS 46 2HB HIS 46 61.983 10.478 9.754
369 HD1 HIS 46 HD1 HIS 46 63.556 11.586 12.958
370 HD2 HIS 46 HD2 HIS 46 61.320 13.262 9.864
371 HE1 HIS 46 HE1 HIS 46 63.709 14.096 13.243
Start of MODEL 7
1 H ARG 1 3H ARG 1 23.947 29.417 11.768
2 HA ARG 1 HA ARG 1 25.747 28.101 13.032
3 HB2 ARG 1 1HB ARG 1 25.281 29.324 15.170
4 HB3 ARG 1 2HB ARG 1 23.685 28.574 15.204
5 HG2 ARG 1 1HG ARG 1 24.755 26.335 15.186
6 HG3 ARG 1 2HG ARG 1 26.340 27.109 15.222
7 HD2 ARG 1 1HD ARG 1 25.691 28.237 17.355
8 HD3 ARG 1 2HD ARG 1 24.181 27.330 17.336
9 HE ARG 1 HE ARG 1 26.827 26.303 17.963
10 HH11 ARG 1 1HH1 ARG 1 23.537 25.462 17.070
11 HH12 ARG 1 2HH1 ARG 1 23.681 23.845 17.675
12 HH21 ARG 1 1HH2 ARG 1 26.952 24.211 18.724
13 HH22 ARG 1 2HH2 ARG 1 25.591 23.147 18.600
14 H SER 2 H SER 2 22.271 28.050 13.858
15 HA SER 2 HA SER 2 21.853 25.333 13.351
16 HB2 SER 2 1HB SER 2 19.491 25.857 13.342
17 HB3 SER 2 2HB SER 2 20.289 26.836 14.569
18 HG SER 2 HG SER 2 19.244 27.558 12.064
19 H LEU 3 H LEU 3 22.113 27.978 11.084
20 HA LEU 3 HA LEU 3 20.648 26.976 8.925
21 HB2 LEU 3 1HB LEU 3 23.218 28.571 8.838
22 HB3 LEU 3 2HB LEU 3 22.056 28.404 7.522
23 HG LEU 3 HG LEU 3 21.419 29.591 10.240
24 HD11 LEU 3 1HD1 LEU 3 22.922 31.068 9.030
25 HD12 LEU 3 2HD1 LEU 3 21.293 31.735 8.938
26 HD13 LEU 3 3HD1 LEU 3 21.976 30.883 7.553
27 HD21 LEU 3 1HD2 LEU 3 19.393 28.764 9.359
28 HD22 LEU 3 2HD2 LEU 3 19.859 29.134 7.699
29 HD23 LEU 3 3HD2 LEU 3 19.416 30.436 8.802
30 H LEU 4 H LEU 4 23.721 25.883 10.177
31 HA LEU 4 HA LEU 4 24.839 24.743 7.871
32 HB2 LEU 4 1HB LEU 4 25.960 25.036 10.076
33 HB3 LEU 4 2HB LEU 4 25.021 23.686 10.697
34 HG LEU 4 HG LEU 4 26.494 23.184 8.144
35 HD11 LEU 4 1HD1 LEU 4 27.962 23.250 10.793
36 HD12 LEU 4 2HD1 LEU 4 28.113 24.500 9.556
37 HD13 LEU 4 3HD1 LEU 4 28.631 22.850 9.210
38 HD21 LEU 4 1HD2 LEU 4 25.221 21.388 9.217
39 HD22 LEU 4 2HD2 LEU 4 26.100 21.634 10.723
40 HD23 LEU 4 3HD2 LEU 4 26.941 21.018 9.302
41 H GLU 5 H GLU 5 22.211 23.632 9.893
42 HA GLU 5 HA GLU 5 22.218 20.956 8.746
43 HB2 GLU 5 1HB GLU 5 21.632 21.436 11.132
44 HB3 GLU 5 2HB GLU 5 20.174 22.243 10.561
45 HG2 GLU 5 1HG GLU 5 19.581 19.983 11.145
46 HG3 GLU 5 2HG GLU 5 19.534 20.104 9.394
47 H GLY 6 H GLY 6 20.746 24.002 7.999
48 HA2 GLY 6 1HA GLY 6 18.550 22.772 6.519
49 HA3 GLY 6 2HA GLY 6 18.787 24.489 6.795
50 H GLU 7 H GLU 7 21.684 23.075 5.673
51 HA GLU 7 HA GLU 7 21.308 24.364 3.085
52 HB2 GLU 7 1HB GLU 7 23.402 24.650 4.445
53 HB3 GLU 7 2HB GLU 7 23.751 22.943 4.168
54 HG2 GLU 7 1HG GLU 7 23.685 23.353 1.718
55 HG3 GLU 7 2HG GLU 7 23.418 25.062 2.028
56 H ILE 8 H ILE 8 21.573 23.285 1.085
57 HA ILE 8 HA ILE 8 20.418 20.660 1.131
58 HB ILE 8 HB ILE 8 19.706 22.353 -0.490
59 HG12 ILE 8 1HG1 ILE 8 20.047 20.902 -2.594
60 HG13 ILE 8 2HG1 ILE 8 20.941 19.805 -1.543
61 HG21 ILE 8 1HG2 ILE 8 21.215 22.881 -2.411
62 HG22 ILE 8 2HG2 ILE 8 22.523 22.057 -1.563
63 HG23 ILE 8 3HG2 ILE 8 21.803 23.511 -0.873
64 HD11 ILE 8 1HD1 ILE 8 18.544 19.177 -1.714
65 HD12 ILE 8 2HD1 ILE 8 18.103 20.750 -1.050
66 HD13 ILE 8 3HD1 ILE 8 19.000 19.596 -0.062
67 HA PRO 9 HA PRO 9 24.376 18.508 0.633
68 HB2 PRO 9 1HB PRO 9 22.957 16.333 -0.765
69 HB3 PRO 9 2HB PRO 9 23.851 16.297 0.764
70 HG2 PRO 9 1HG PRO 9 21.179 16.091 0.635
71 HG3 PRO 9 2HG PRO 9 22.026 16.834 2.003
72 HD2 PRO 9 1HD PRO 9 20.563 18.164 -0.247
73 HD3 PRO 9 2HD PRO 9 20.662 18.620 1.470
74 H PHE 10 H PHE 10 25.904 18.185 -1.014
75 HA PHE 10 HA PHE 10 25.630 19.587 -3.403
76 HB2 PHE 10 1HB PHE 10 27.467 17.245 -2.897
77 HB3 PHE 10 2HB PHE 10 27.674 18.485 -4.120
78 HD1 PHE 10 HD1 PHE 10 27.144 20.970 -2.703
79 HD2 PHE 10 HD2 PHE 10 29.196 17.445 -1.358
80 HE1 PHE 10 HE1 PHE 10 28.428 22.337 -1.081
81 HE2 PHE 10 HE2 PHE 10 30.480 18.812 0.265
82 HZ PHE 10 HZ PHE 10 30.096 21.258 0.403
83 HA PRO 11 HA PRO 11 23.009 17.208 -5.917
84 HB2 PRO 11 1HB PRO 11 24.888 17.408 -8.212
85 HB3 PRO 11 2HB PRO 11 23.191 17.907 -8.085
86 HG2 PRO 11 1HG PRO 11 25.184 19.675 -8.081
87 HG3 PRO 11 2HG PRO 11 23.710 19.914 -7.125
88 HD2 PRO 11 1HD PRO 11 26.437 19.121 -6.204
89 HD3 PRO 11 2HD PRO 11 25.191 20.084 -5.377
90 HA PRO 12 HA PRO 12 25.901 13.389 -7.010
91 HB2 PRO 12 1HB PRO 12 27.968 13.996 -4.945
92 HB3 PRO 12 2HB PRO 12 28.144 13.175 -6.506
93 HG2 PRO 12 1HG PRO 12 28.990 15.667 -6.147
94 HG3 PRO 12 2HG PRO 12 28.283 15.134 -7.682
95 HD2 PRO 12 1HD PRO 12 27.087 16.861 -5.565
96 HD3 PRO 12 2HD PRO 12 26.817 16.875 -7.321
97 H THR 13 H THR 13 25.214 11.588 -5.836
98 HA THR 13 HA THR 13 24.652 11.993 -2.957
99 HB THR 13 HB THR 13 22.863 10.565 -4.936
100 HG1 THR 13 HG1 THR 13 22.488 12.666 -5.218
101 HG21 THR 13 1HG2 THR 13 22.841 9.555 -2.691
102 HG22 THR 13 2HG2 THR 13 21.329 10.405 -3.009
103 HG23 THR 13 3HG2 THR 13 22.554 11.142 -1.976
104 H SER 14 H SER 14 23.983 8.980 -4.706
105 HA SER 14 HA SER 14 25.298 7.437 -2.757
106 HB2 SER 14 1HB SER 14 24.683 6.669 -5.618
107 HB3 SER 14 2HB SER 14 25.003 5.563 -4.286
108 HG SER 14 HG SER 14 22.702 6.663 -5.003
109 H ILE 15 H ILE 15 26.443 8.768 -5.843
110 HA ILE 15 HA ILE 15 28.873 7.340 -5.961
111 HB ILE 15 HB ILE 15 27.961 8.674 -7.828
112 HG12 ILE 15 1HG1 ILE 15 30.174 9.747 -8.456
113 HG13 ILE 15 2HG1 ILE 15 30.748 9.321 -6.842
114 HG21 ILE 15 1HG2 ILE 15 27.234 10.628 -6.456
115 HG22 ILE 15 2HG2 ILE 15 28.201 11.094 -7.856
116 HG23 ILE 15 3HG2 ILE 15 28.928 11.073 -6.250
117 HD11 ILE 15 1HD1 ILE 15 31.215 7.650 -8.771
118 HD12 ILE 15 2HD1 ILE 15 29.504 7.242 -8.634
119 HD13 ILE 15 3HD1 ILE 15 30.579 7.008 -7.256
120 H LEU 16 H LEU 16 27.963 10.242 -4.139
121 HA LEU 16 HA LEU 16 30.539 10.931 -3.216
122 HB2 LEU 16 1HB LEU 16 28.496 12.321 -2.898
123 HB3 LEU 16 2HB LEU 16 27.932 11.160 -1.695
124 HG LEU 16 HG LEU 16 30.108 11.545 -0.452
125 HD11 LEU 16 1HD1 LEU 16 30.317 13.682 -2.581
126 HD12 LEU 16 2HD1 LEU 16 31.516 12.466 -2.139
127 HD13 LEU 16 3HD1 LEU 16 31.172 13.803 -1.044
128 HD21 LEU 16 1HD2 LEU 16 28.210 13.867 -0.901
129 HD22 LEU 16 2HD2 LEU 16 29.375 13.790 0.421
130 HD23 LEU 16 3HD2 LEU 16 28.068 12.608 0.326
131 H LEU 17 H LEU 17 28.181 8.545 -2.039
132 HA LEU 17 HA LEU 17 29.604 7.742 0.259
133 HB2 LEU 17 1HB LEU 17 27.921 5.977 -1.532
134 HB3 LEU 17 2HB LEU 17 28.363 5.654 0.141
135 HG LEU 17 HG LEU 17 26.747 8.052 -0.773
136 HD11 LEU 17 1HD1 LEU 17 25.866 5.529 0.664
137 HD12 LEU 17 2HD1 LEU 17 25.540 5.892 -1.032
138 HD13 LEU 17 3HD1 LEU 17 24.837 6.895 0.236
139 HD21 LEU 17 1HD2 LEU 17 27.818 8.656 1.245
140 HD22 LEU 17 2HD2 LEU 17 27.702 7.022 1.899
141 HD23 LEU 17 3HD2 LEU 17 26.259 8.030 1.782
142 H LEU 18 H LEU 18 29.961 6.787 -3.134
143 HA LEU 18 HA LEU 18 31.901 4.776 -2.756
144 HB2 LEU 18 1HB LEU 18 30.780 5.310 -4.936
145 HB3 LEU 18 2HB LEU 18 31.823 6.726 -5.065
146 HG LEU 18 HG LEU 18 33.800 5.152 -4.772
147 HD11 LEU 18 1HD1 LEU 18 31.539 3.173 -5.087
148 HD12 LEU 18 2HD1 LEU 18 32.800 3.202 -3.855
149 HD13 LEU 18 3HD1 LEU 18 33.200 2.760 -5.515
150 HD21 LEU 18 1HD2 LEU 18 33.903 4.709 -7.091
151 HD22 LEU 18 2HD2 LEU 18 32.799 6.082 -6.984
152 HD23 LEU 18 3HD2 LEU 18 32.162 4.453 -7.208
153 H LEU 19 H LEU 19 32.213 8.301 -2.872
154 HA LEU 19 HA LEU 19 35.018 8.484 -2.807
155 HB2 LEU 19 1HB LEU 19 33.074 10.300 -2.870
156 HB3 LEU 19 2HB LEU 19 33.356 10.330 -1.137
157 HG LEU 19 HG LEU 19 34.691 12.056 -2.180
158 HD11 LEU 19 1HD1 LEU 19 35.688 10.413 -0.373
159 HD12 LEU 19 2HD1 LEU 19 36.710 11.629 -1.141
160 HD13 LEU 19 3HD1 LEU 19 36.763 9.954 -1.693
161 HD21 LEU 19 1HD2 LEU 19 34.736 10.618 -4.408
162 HD22 LEU 19 2HD2 LEU 19 36.286 10.080 -3.761
163 HD23 LEU 19 3HD2 LEU 19 36.003 11.794 -4.061
164 H ALA 20 H ALA 20 32.675 7.911 -0.211
165 HA ALA 20 HA ALA 20 34.476 7.971 1.958
166 HB1 ALA 20 1HB ALA 20 32.785 6.966 3.222
167 HB2 ALA 20 2HB ALA 20 32.177 6.039 1.852
168 HB3 ALA 20 3HB ALA 20 31.883 7.775 1.941
169 H CYS 21 H CYS 21 33.572 5.350 -0.247
170 HA CYS 21 HA CYS 21 34.968 3.274 1.039
171 HB2 CYS 21 1HB CYS 21 34.404 3.684 -1.907
172 HB3 CYS 21 2HB CYS 21 34.978 2.176 -1.193
173 HG CYS 21 HG CYS 21 32.642 2.620 0.380
174 H ILE 22 H ILE 22 36.041 5.665 -1.355
175 HA ILE 22 HA ILE 22 38.612 4.591 -1.770
176 HB ILE 22 HB ILE 22 37.712 7.478 -1.941
177 HG12 ILE 22 1HG1 ILE 22 38.001 5.368 -4.101
178 HG13 ILE 22 2HG1 ILE 22 36.468 5.769 -3.329
179 HG21 ILE 22 1HG2 ILE 22 40.188 7.210 -1.846
180 HG22 ILE 22 2HG2 ILE 22 39.645 7.760 -3.430
181 HG23 ILE 22 3HG2 ILE 22 40.097 6.073 -3.190
182 HD11 ILE 22 1HD1 ILE 22 36.579 8.042 -4.138
183 HD12 ILE 22 2HD1 ILE 22 36.855 6.967 -5.506
184 HD13 ILE 22 3HD1 ILE 22 38.213 7.799 -4.751
185 H PHE 23 H PHE 23 37.372 6.746 0.774
186 HA PHE 23 HA PHE 23 39.873 7.375 1.919
187 HB2 PHE 23 1HB PHE 23 37.102 7.198 3.036
188 HB3 PHE 23 2HB PHE 23 38.463 7.447 4.112
189 HD1 PHE 23 HD1 PHE 23 40.003 9.448 3.659
190 HD2 PHE 23 HD2 PHE 23 36.133 8.987 1.854
191 HE1 PHE 23 HE1 PHE 23 39.945 11.878 3.166
192 HE2 PHE 23 HE2 PHE 23 36.076 11.417 1.358
193 HZ PHE 23 HZ PHE 23 37.982 12.862 2.016
194 H LEU 24 H LEU 24 37.765 4.554 2.368
195 HA LEU 24 HA LEU 24 39.330 3.301 4.359
196 HB2 LEU 24 1HB LEU 24 37.481 2.189 2.262
197 HB3 LEU 24 2HB LEU 24 38.377 1.134 3.353
198 HG LEU 24 HG LEU 24 37.444 2.566 5.262
199 HD11 LEU 24 1HD1 LEU 24 36.621 4.501 4.210
200 HD12 LEU 24 2HD1 LEU 24 35.155 3.570 4.521
201 HD13 LEU 24 3HD1 LEU 24 35.866 3.582 2.908
202 HD21 LEU 24 1HD2 LEU 24 35.480 1.221 5.404
203 HD22 LEU 24 2HD2 LEU 24 36.631 0.259 4.477
204 HD23 LEU 24 3HD2 LEU 24 35.332 1.120 3.650
205 H ILE 25 H ILE 25 39.674 3.359 0.837
206 HA ILE 25 HA ILE 25 41.734 1.444 0.649
207 HB ILE 25 HB ILE 25 41.381 3.911 -1.075
208 HG12 ILE 25 1HG1 ILE 25 40.313 1.099 -1.474
209 HG13 ILE 25 2HG1 ILE 25 39.342 2.442 -0.870
210 HG21 ILE 25 1HG2 ILE 25 42.604 2.655 -2.748
211 HG22 ILE 25 2HG2 ILE 25 42.664 1.237 -1.701
212 HG23 ILE 25 3HG2 ILE 25 43.569 2.689 -1.272
213 HD11 ILE 25 1HD1 ILE 25 40.617 2.137 -3.590
214 HD12 ILE 25 2HD1 ILE 25 40.080 3.705 -2.986
215 HD13 ILE 25 3HD1 ILE 25 38.917 2.398 -3.204
216 H LYS 26 H LYS 26 41.841 4.897 1.463
217 HA LYS 26 HA LYS 26 44.643 5.189 1.454
218 HB2 LYS 26 1HB LYS 26 42.596 6.531 3.234
219 HB3 LYS 26 2HB LYS 26 44.277 7.033 3.071
220 HG2 LYS 26 1HG LYS 26 43.978 7.496 0.712
221 HG3 LYS 26 2HG LYS 26 42.349 6.824 0.743
222 HD2 LYS 26 1HD LYS 26 42.051 9.180 0.849
223 HD3 LYS 26 2HD LYS 26 41.802 8.605 2.495
224 HE2 LYS 26 1HE LYS 26 43.262 10.315 2.959
225 HE3 LYS 26 2HE LYS 26 44.456 9.066 2.617
226 HZ1 LYS 26 1HZ LYS 26 45.010 10.985 1.358
227 HZ2 LYS 26 2HZ LYS 26 43.431 11.128 0.748
228 HZ3 LYS 26 3HZ LYS 26 44.414 9.827 0.271
229 H ILE 27 H ILE 27 42.457 3.893 3.927
230 HA ILE 27 HA ILE 27 44.383 3.537 5.961
231 HB ILE 27 HB ILE 27 42.018 1.743 5.353
232 HG12 ILE 27 1HG1 ILE 27 42.204 4.142 7.200
233 HG13 ILE 27 2HG1 ILE 27 41.470 4.189 5.597
234 HG21 ILE 27 1HG2 ILE 27 42.142 1.154 7.712
235 HG22 ILE 27 2HG2 ILE 27 43.481 2.277 7.955
236 HG23 ILE 27 3HG2 ILE 27 43.708 0.837 6.963
237 HD11 ILE 27 1HD1 ILE 27 40.567 2.576 7.992
238 HD12 ILE 27 2HD1 ILE 27 39.964 2.284 6.361
239 HD13 ILE 27 3HD1 ILE 27 39.674 3.838 7.143
240 H LEU 28 H LEU 28 43.544 1.505 3.175
241 HA LEU 28 HA LEU 28 45.262 -0.650 3.763
242 HB2 LEU 28 1HB LEU 28 44.592 0.406 1.007
243 HB3 LEU 28 2HB LEU 28 45.183 -1.203 1.403
244 HG LEU 28 HG LEU 28 42.577 -0.035 2.420
245 HD11 LEU 28 1HD1 LEU 28 43.135 -2.077 0.246
246 HD12 LEU 28 2HD1 LEU 28 42.492 -0.453 0.001
247 HD13 LEU 28 3HD1 LEU 28 41.534 -1.659 0.858
248 HD21 LEU 28 1HD2 LEU 28 42.250 -2.591 2.866
249 HD22 LEU 28 2HD2 LEU 28 43.235 -1.658 3.991
250 HD23 LEU 28 3HD2 LEU 28 44.009 -2.663 2.766
251 H ALA 29 H ALA 29 45.933 2.491 2.316
252 HA ALA 29 HA ALA 29 48.568 1.986 1.460
253 HB1 ALA 29 1HB ALA 29 47.586 4.606 2.597
254 HB2 ALA 29 2HB ALA 29 47.170 4.044 0.977
255 HB3 ALA 29 3HB ALA 29 48.855 4.354 1.398
256 H ALA 30 H ALA 30 47.299 3.013 4.610
257 HA ALA 30 HA ALA 30 49.774 3.350 5.917
258 HB1 ALA 30 1HB ALA 30 48.470 2.810 8.008
259 HB2 ALA 30 2HB ALA 30 47.086 2.456 6.975
260 HB3 ALA 30 3HB ALA 30 47.764 4.083 7.011
261 H SER 31 H SER 31 47.766 0.464 5.444
262 HA SER 31 HA SER 31 49.393 -1.375 6.817
263 HB2 SER 31 1HB SER 31 47.788 -1.892 4.305
264 HB3 SER 31 2HB SER 31 48.326 -3.091 5.474
265 HG SER 31 HG SER 31 46.135 -1.568 5.514
266 H ALA 32 H ALA 32 49.689 0.015 3.576
267 HA ALA 32 HA ALA 32 51.623 -1.781 2.567
268 HB1 ALA 32 1HB ALA 32 51.707 1.121 1.841
269 HB2 ALA 32 2HB ALA 32 50.283 0.175 1.411
270 HB3 ALA 32 3HB ALA 32 51.871 -0.297 0.807
271 H LEU 33 H LEU 33 51.945 1.240 4.423
272 HA LEU 33 HA LEU 33 54.757 1.373 4.411
273 HB2 LEU 33 1HB LEU 33 53.243 3.177 5.231
274 HB3 LEU 33 2HB LEU 33 52.913 2.201 6.663
275 HG LEU 33 HG LEU 33 55.421 2.153 7.070
276 HD11 LEU 33 1HD1 LEU 33 56.538 4.224 5.947
277 HD12 LEU 33 2HD1 LEU 33 55.252 4.066 4.751
278 HD13 LEU 33 3HD1 LEU 33 56.385 2.740 5.008
279 HD21 LEU 33 1HD2 LEU 33 54.186 4.922 7.032
280 HD22 LEU 33 2HD2 LEU 33 55.425 4.323 8.136
281 HD23 LEU 33 3HD2 LEU 33 53.782 3.690 8.229
282 H TRP 34 H TRP 34 52.523 -0.417 6.520
283 HA TRP 34 HA TRP 34 54.440 -1.506 8.272
284 HB2 TRP 34 1HB TRP 34 51.917 -1.709 8.417
285 HB3 TRP 34 2HB TRP 34 52.037 -2.988 7.225
286 HD1 TRP 34 HD1 TRP 34 52.649 -5.341 8.054
287 HE1 TRP 34 HE1 TRP 34 53.208 -6.352 10.359
288 HE3 TRP 34 HE3 TRP 34 53.156 -1.063 10.794
289 HZ2 TRP 34 HZ2 TRP 34 53.794 -5.462 13.018
290 HZ3 TRP 34 HZ3 TRP 34 53.714 -1.170 13.203
291 HH2 TRP 34 HH2 TRP 34 54.034 -3.359 14.319
292 H ALA 35 H ALA 35 53.509 -2.458 5.001
293 HA ALA 35 HA ALA 35 54.997 -4.842 4.836
294 HB1 ALA 35 1HB ALA 35 54.789 -2.996 2.487
295 HB2 ALA 35 2HB ALA 35 53.326 -3.726 3.149
296 HB3 ALA 35 3HB ALA 35 54.629 -4.750 2.547
297 H ALA 36 H ALA 36 55.955 -1.470 4.373
298 HA ALA 36 HA ALA 36 58.527 -1.930 3.330
299 HB1 ALA 36 1HB ALA 36 59.027 0.324 3.927
300 HB2 ALA 36 2HB ALA 36 57.814 0.328 5.207
301 HB3 ALA 36 3HB ALA 36 57.312 0.296 3.517
302 H ALA 37 H ALA 37 57.391 -1.713 6.686
303 HA ALA 37 HA ALA 37 59.896 -2.115 7.932
304 HB1 ALA 37 1HB ALA 37 57.385 -3.266 9.092
305 HB2 ALA 37 2HB ALA 37 57.552 -1.517 8.937
306 HB3 ALA 37 3HB ALA 37 58.711 -2.431 9.901
307 H TRP 38 H TRP 38 57.492 -4.413 6.732
308 HA TRP 38 HA TRP 38 58.611 -6.790 7.646
309 HB2 TRP 38 1HB TRP 38 56.396 -6.468 6.493
310 HB3 TRP 38 2HB TRP 38 57.271 -6.435 4.974
311 HD1 TRP 38 HD1 TRP 38 56.259 -8.761 7.819
312 HE1 TRP 38 HE1 TRP 38 56.542 -11.199 7.037
313 HE3 TRP 38 HE3 TRP 38 58.568 -7.984 3.332
314 HZ2 TRP 38 HZ2 TRP 38 57.608 -12.635 4.799
315 HZ3 TRP 38 HZ3 TRP 38 59.205 -9.899 1.899
316 HH2 TRP 38 HH2 TRP 38 58.731 -12.221 2.623
317 H HIS 39 H HIS 39 59.568 -4.838 4.853
318 HA HIS 39 HA HIS 39 61.570 -6.730 4.003
319 HB2 HIS 39 1HB HIS 39 60.661 -5.059 2.450
320 HB3 HIS 39 2HB HIS 39 61.279 -3.767 3.460
321 HD1 HIS 39 HD1 HIS 39 64.056 -3.941 3.783
322 HD2 HIS 39 HD2 HIS 39 62.370 -5.720 0.411
323 HE1 HIS 39 HE1 HIS 39 65.937 -4.240 2.116
324 H GLY 40 H GLY 40 61.941 -3.433 5.326
325 HA2 GLY 40 1HA GLY 40 63.561 -4.580 7.487
326 HA3 GLY 40 2HA GLY 40 64.241 -3.243 6.564
327 H GLN 41 H GLN 41 62.401 -4.005 9.268
328 HA GLN 41 HA GLN 41 60.960 -1.730 9.777
329 HB2 GLN 41 1HB GLN 41 61.447 -3.730 11.327
330 HB3 GLN 41 2HB GLN 41 62.876 -2.826 11.829
331 HG2 GLN 41 1HG GLN 41 61.437 -0.903 12.440
332 HG3 GLN 41 2HG GLN 41 60.020 -1.821 11.953
333 HE21 GLN 41 1HE2 GLN 41 60.033 -0.955 14.563
334 HE22 GLN 41 2HE2 GLN 41 60.333 -2.246 15.622
335 H LYS 42 H LYS 42 61.459 0.338 10.696
336 HA LYS 42 HA LYS 42 63.348 1.647 9.148
337 HB2 LYS 42 1HB LYS 42 61.251 2.506 10.414
338 HB3 LYS 42 2HB LYS 42 62.389 2.842 11.717
339 HG2 LYS 42 1HG LYS 42 62.305 4.843 10.430
340 HG3 LYS 42 2HG LYS 42 63.810 4.052 9.958
341 HD2 LYS 42 1HD LYS 42 62.947 3.344 7.896
342 HD3 LYS 42 2HD LYS 42 61.274 3.506 8.434
343 HE2 LYS 42 1HE LYS 42 61.416 5.913 8.391
344 HE3 LYS 42 2HE LYS 42 63.155 5.856 8.102
345 HZ1 LYS 42 1HZ LYS 42 62.156 4.342 6.099
346 HZ2 LYS 42 2HZ LYS 42 62.597 5.977 5.962
347 HZ3 LYS 42 3HZ LYS 42 60.977 5.552 6.249
348 HA PRO 43 HA PRO 43 66.378 1.846 13.003
349 HB2 PRO 43 1HB PRO 43 66.218 -1.073 13.627
350 HB3 PRO 43 2HB PRO 43 66.557 0.298 14.706
351 HG2 PRO 43 1HG PRO 43 64.201 -0.883 14.753
352 HG3 PRO 43 2HG PRO 43 64.331 0.883 14.884
353 HD2 PRO 43 1HD PRO 43 63.517 -0.771 12.524
354 HD3 PRO 43 2HD PRO 43 62.875 0.795 13.072
355 H GLY 44 H GLY 44 68.530 1.546 12.450
356 HA2 GLY 44 1HA GLY 44 70.375 0.521 11.422
357 HA3 GLY 44 2HA GLY 44 69.287 -0.643 10.673
358 H THR 45 H THR 45 67.474 1.001 9.409
359 HA THR 45 HA THR 45 68.747 1.574 6.992
360 HB THR 45 HB THR 45 66.170 2.795 7.997
361 HG1 THR 45 HG1 THR 45 65.487 0.828 7.952
362 HG21 THR 45 1HG2 THR 45 65.670 2.568 5.475
363 HG22 THR 45 2HG2 THR 45 67.412 2.375 5.279
364 HG23 THR 45 3HG2 THR 45 66.762 3.862 5.969
365 H HIS 46 H HIS 46 68.370 3.606 9.827
366 HA HIS 46 HA HIS 46 69.195 5.995 8.352
367 HB2 HIS 46 1HB HIS 46 68.557 5.587 11.275
368 HB3 HIS 46 2HB HIS 46 68.937 7.127 10.530
369 HD1 HIS 46 HD1 HIS 46 67.191 7.744 8.444
370 HD2 HIS 46 HD2 HIS 46 65.862 5.073 11.356
371 HE1 HIS 46 HE1 HIS 46 64.667 7.699 8.273
Start of MODEL 8
1 H ARG 1 3H ARG 1 14.211 15.811 10.958
2 HA ARG 1 HA ARG 1 12.973 14.649 9.093
3 HB2 ARG 1 1HB ARG 1 10.827 14.786 11.229
4 HB3 ARG 1 2HB ARG 1 10.539 14.413 9.528
5 HG2 ARG 1 1HG ARG 1 12.095 12.476 9.723
6 HG3 ARG 1 2HG ARG 1 12.263 12.817 11.446
7 HD2 ARG 1 1HD ARG 1 9.762 12.597 11.652
8 HD3 ARG 1 2HD ARG 1 9.729 12.046 9.980
9 HE ARG 1 HE ARG 1 11.504 10.348 11.027
10 HH11 ARG 1 1HH1 ARG 1 8.404 11.372 12.316
11 HH12 ARG 1 2HH1 ARG 1 8.148 9.879 13.157
12 HH21 ARG 1 1HH2 ARG 1 11.119 8.447 12.128
13 HH22 ARG 1 2HH2 ARG 1 9.666 8.245 13.051
14 H SER 2 H SER 2 11.155 16.754 11.317
15 HA SER 2 HA SER 2 10.436 18.673 9.419
16 HB2 SER 2 1HB SER 2 9.773 20.043 11.301
17 HB3 SER 2 2HB SER 2 9.360 18.364 11.629
18 HG SER 2 HG SER 2 11.101 18.217 12.983
19 H LEU 3 H LEU 3 13.519 18.246 10.926
20 HA LEU 3 HA LEU 3 14.233 21.065 10.372
21 HB2 LEU 3 1HB LEU 3 13.930 20.653 12.784
22 HB3 LEU 3 2HB LEU 3 15.174 19.404 12.715
23 HG LEU 3 HG LEU 3 16.738 21.168 11.771
24 HD11 LEU 3 1HD1 LEU 3 15.349 22.892 10.998
25 HD12 LEU 3 2HD1 LEU 3 15.936 23.540 12.529
26 HD13 LEU 3 3HD1 LEU 3 14.322 22.836 12.430
27 HD21 LEU 3 1HD2 LEU 3 17.022 22.290 14.038
28 HD22 LEU 3 2HD2 LEU 3 16.985 20.526 14.075
29 HD23 LEU 3 3HD2 LEU 3 15.558 21.448 14.547
30 H LEU 4 H LEU 4 16.434 18.516 11.524
31 HA LEU 4 HA LEU 4 18.485 19.379 9.822
32 HB2 LEU 4 1HB LEU 4 19.608 17.243 10.426
33 HB3 LEU 4 2HB LEU 4 19.072 18.196 11.798
34 HG LEU 4 HG LEU 4 17.038 16.257 10.839
35 HD11 LEU 4 1HD1 LEU 4 19.407 15.137 10.594
36 HD12 LEU 4 2HD1 LEU 4 18.083 14.255 11.355
37 HD13 LEU 4 3HD1 LEU 4 19.314 15.030 12.353
38 HD21 LEU 4 1HD2 LEU 4 16.468 17.155 12.897
39 HD22 LEU 4 2HD2 LEU 4 18.142 17.263 13.433
40 HD23 LEU 4 3HD2 LEU 4 17.310 15.709 13.444
41 H GLU 5 H GLU 5 15.859 17.213 9.176
42 HA GLU 5 HA GLU 5 17.254 15.837 7.019
43 HB2 GLU 5 1HB GLU 5 14.393 15.667 7.953
44 HB3 GLU 5 2HB GLU 5 15.117 14.632 6.725
45 HG2 GLU 5 1HG GLU 5 16.074 14.875 9.591
46 HG3 GLU 5 2HG GLU 5 15.119 13.544 8.951
47 H GLY 6 H GLY 6 15.464 18.735 7.220
48 HA2 GLY 6 1HA GLY 6 14.417 18.535 4.506
49 HA3 GLY 6 2HA GLY 6 14.119 19.837 5.643
50 H GLU 7 H GLU 7 17.460 19.260 5.543
51 HA GLU 7 HA GLU 7 17.860 21.592 3.840
52 HB2 GLU 7 1HB GLU 7 20.190 21.476 4.568
53 HB3 GLU 7 2HB GLU 7 19.113 21.407 5.961
54 HG2 GLU 7 1HG GLU 7 19.328 18.914 5.945
55 HG3 GLU 7 2HG GLU 7 20.505 19.059 4.640
56 H ILE 8 H ILE 8 19.246 21.556 1.974
57 HA ILE 8 HA ILE 8 18.695 19.211 0.416
58 HB ILE 8 HB ILE 8 19.706 20.496 -1.454
59 HG12 ILE 8 1HG1 ILE 8 20.073 22.678 0.620
60 HG13 ILE 8 2HG1 ILE 8 21.393 21.688 -0.003
61 HG21 ILE 8 1HG2 ILE 8 17.333 20.771 -0.909
62 HG22 ILE 8 2HG2 ILE 8 18.015 22.311 -1.427
63 HG23 ILE 8 3HG2 ILE 8 17.734 22.005 0.286
64 HD11 ILE 8 1HD1 ILE 8 19.565 23.419 -1.691
65 HD12 ILE 8 2HD1 ILE 8 20.917 22.454 -2.285
66 HD13 ILE 8 3HD1 ILE 8 21.216 23.833 -1.226
67 HA PRO 9 HA PRO 9 22.762 17.348 1.003
68 HB2 PRO 9 1HB PRO 9 22.957 15.834 -1.274
69 HB3 PRO 9 2HB PRO 9 21.996 15.362 0.140
70 HG2 PRO 9 1HG PRO 9 21.111 16.585 -2.419
71 HG3 PRO 9 2HG PRO 9 20.338 15.326 -1.436
72 HD2 PRO 9 1HD PRO 9 19.508 17.920 -1.401
73 HD3 PRO 9 2HD PRO 9 19.365 16.844 0.005
74 H PHE 10 H PHE 10 24.898 17.731 0.359
75 HA PHE 10 HA PHE 10 25.585 19.872 -1.299
76 HB2 PHE 10 1HB PHE 10 27.202 17.408 -0.627
77 HB3 PHE 10 2HB PHE 10 27.854 18.878 -1.328
78 HD1 PHE 10 HD1 PHE 10 27.926 20.977 0.008
79 HD2 PHE 10 HD2 PHE 10 26.672 17.236 1.707
80 HE1 PHE 10 HE1 PHE 10 28.235 21.907 2.286
81 HE2 PHE 10 HE2 PHE 10 26.980 18.167 3.985
82 HZ PHE 10 HZ PHE 10 27.762 20.503 4.274
83 HA PRO 11 HA PRO 11 24.604 18.648 -5.264
84 HB2 PRO 11 1HB PRO 11 26.922 19.358 -6.752
85 HB3 PRO 11 2HB PRO 11 25.477 20.333 -6.455
86 HG2 PRO 11 1HG PRO 11 28.110 20.485 -5.216
87 HG3 PRO 11 2HG PRO 11 26.827 21.695 -5.309
88 HD2 PRO 11 1HD PRO 11 27.511 20.312 -3.011
89 HD3 PRO 11 2HD PRO 11 25.946 21.101 -3.289
90 HA PRO 12 HA PRO 12 27.832 15.105 -6.191
91 HB2 PRO 12 1HB PRO 12 28.953 14.895 -3.440
92 HB3 PRO 12 2HB PRO 12 29.741 14.616 -5.004
93 HG2 PRO 12 1HG PRO 12 30.239 16.787 -3.538
94 HG3 PRO 12 2HG PRO 12 30.229 16.825 -5.310
95 HD2 PRO 12 1HD PRO 12 28.191 17.875 -3.400
96 HD3 PRO 12 2HD PRO 12 28.651 18.474 -5.007
97 H THR 13 H THR 13 26.756 13.122 -5.951
98 HA THR 13 HA THR 13 25.264 12.710 -3.425
99 HB THR 13 HB THR 13 23.479 11.611 -4.817
100 HG1 THR 13 HG1 THR 13 24.597 13.048 -6.961
101 HG21 THR 13 1HG2 THR 13 23.368 13.961 -3.920
102 HG22 THR 13 2HG2 THR 13 22.422 13.710 -5.387
103 HG23 THR 13 3HG2 THR 13 23.984 14.525 -5.473
104 H SER 14 H SER 14 25.216 10.373 -6.075
105 HA SER 14 HA SER 14 25.991 8.261 -4.388
106 HB2 SER 14 1HB SER 14 26.220 8.393 -7.403
107 HB3 SER 14 2HB SER 14 26.185 6.934 -6.420
108 HG SER 14 HG SER 14 24.151 8.612 -7.212
109 H ILE 15 H ILE 15 27.895 10.383 -6.499
110 HA ILE 15 HA ILE 15 30.297 8.906 -6.451
111 HB ILE 15 HB ILE 15 29.953 11.916 -6.574
112 HG12 ILE 15 1HG1 ILE 15 30.210 9.903 -8.828
113 HG13 ILE 15 2HG1 ILE 15 28.676 10.598 -8.303
114 HG21 ILE 15 1HG2 ILE 15 32.135 11.877 -7.704
115 HG22 ILE 15 2HG2 ILE 15 32.217 10.125 -7.514
116 HG23 ILE 15 3HG2 ILE 15 32.273 11.170 -6.095
117 HD11 ILE 15 1HD1 ILE 15 29.668 12.883 -8.711
118 HD12 ILE 15 2HD1 ILE 15 29.462 11.912 -10.169
119 HD13 ILE 15 3HD1 ILE 15 31.059 12.082 -9.441
120 H LEU 16 H LEU 16 28.904 11.204 -4.116
121 HA LEU 16 HA LEU 16 31.170 11.439 -2.447
122 HB2 LEU 16 1HB LEU 16 29.080 12.815 -2.279
123 HB3 LEU 16 2HB LEU 16 28.272 11.416 -1.575
124 HG LEU 16 HG LEU 16 30.246 11.403 0.118
125 HD11 LEU 16 1HD1 LEU 16 31.378 13.241 -1.394
126 HD12 LEU 16 2HD1 LEU 16 31.522 13.338 0.359
127 HD13 LEU 16 3HD1 LEU 16 30.345 14.344 -0.485
128 HD21 LEU 16 1HD2 LEU 16 27.979 11.945 0.786
129 HD22 LEU 16 2HD2 LEU 16 28.109 13.554 0.076
130 HD23 LEU 16 3HD2 LEU 16 29.060 13.141 1.502
131 H LEU 17 H LEU 17 28.564 9.025 -2.555
132 HA LEU 17 HA LEU 17 29.352 7.527 -0.304
133 HB2 LEU 17 1HB LEU 17 27.229 7.201 -1.568
134 HB3 LEU 17 2HB LEU 17 28.156 6.455 -2.869
135 HG LEU 17 HG LEU 17 29.048 4.817 -1.140
136 HD11 LEU 17 1HD1 LEU 17 27.388 4.617 0.848
137 HD12 LEU 17 2HD1 LEU 17 26.981 6.293 0.483
138 HD13 LEU 17 3HD1 LEU 17 28.632 5.865 0.931
139 HD21 LEU 17 1HD2 LEU 17 27.137 3.389 -1.330
140 HD22 LEU 17 2HD2 LEU 17 27.120 4.411 -2.767
141 HD23 LEU 17 3HD2 LEU 17 26.034 4.762 -1.422
142 H LEU 18 H LEU 18 30.483 7.437 -3.661
143 HA LEU 18 HA LEU 18 32.154 5.182 -3.435
144 HB2 LEU 18 1HB LEU 18 32.592 7.646 -5.138
145 HB3 LEU 18 2HB LEU 18 33.347 6.072 -5.375
146 HG LEU 18 HG LEU 18 30.355 6.557 -5.430
147 HD11 LEU 18 1HD1 LEU 18 30.487 6.445 -7.817
148 HD12 LEU 18 2HD1 LEU 18 32.181 5.957 -7.768
149 HD13 LEU 18 3HD1 LEU 18 31.723 7.600 -7.319
150 HD21 LEU 18 1HD2 LEU 18 30.674 4.296 -4.863
151 HD22 LEU 18 2HD2 LEU 18 32.143 4.164 -5.831
152 HD23 LEU 18 3HD2 LEU 18 30.568 4.241 -6.623
153 H LEU 19 H LEU 19 32.722 8.583 -2.622
154 HA LEU 19 HA LEU 19 35.474 8.392 -2.075
155 HB2 LEU 19 1HB LEU 19 33.429 10.143 -0.695
156 HB3 LEU 19 2HB LEU 19 35.173 10.394 -0.702
157 HG LEU 19 HG LEU 19 33.426 10.346 -3.180
158 HD11 LEU 19 1HD1 LEU 19 33.436 12.683 -3.163
159 HD12 LEU 19 2HD1 LEU 19 34.838 12.769 -2.095
160 HD13 LEU 19 3HD1 LEU 19 33.262 12.314 -1.447
161 HD21 LEU 19 1HD2 LEU 19 36.371 10.717 -2.669
162 HD22 LEU 19 2HD2 LEU 19 35.613 11.494 -4.059
163 HD23 LEU 19 3HD2 LEU 19 35.576 9.738 -3.902
164 H ALA 20 H ALA 20 32.668 7.607 -0.078
165 HA ALA 20 HA ALA 20 34.042 7.202 2.351
166 HB1 ALA 20 1HB ALA 20 31.583 5.760 1.326
167 HB2 ALA 20 2HB ALA 20 31.585 7.294 2.195
168 HB3 ALA 20 3HB ALA 20 32.119 5.823 3.006
169 H CYS 21 H CYS 21 33.324 4.981 -0.319
170 HA CYS 21 HA CYS 21 34.420 2.665 0.856
171 HB2 CYS 21 1HB CYS 21 34.258 3.436 -2.066
172 HB3 CYS 21 2HB CYS 21 34.615 1.817 -1.465
173 HG CYS 21 HG CYS 21 32.222 1.635 -0.528
174 H ILE 22 H ILE 22 35.912 5.206 -1.125
175 HA ILE 22 HA ILE 22 38.458 4.027 -1.349
176 HB ILE 22 HB ILE 22 37.744 6.969 -1.251
177 HG12 ILE 22 1HG1 ILE 22 38.147 5.135 -3.630
178 HG13 ILE 22 2HG1 ILE 22 36.563 5.566 -2.986
179 HG21 ILE 22 1HG2 ILE 22 39.842 7.271 -2.515
180 HG22 ILE 22 2HG2 ILE 22 40.170 5.543 -2.390
181 HG23 ILE 22 3HG2 ILE 22 40.165 6.546 -0.940
182 HD11 ILE 22 1HD1 ILE 22 36.948 7.118 -4.745
183 HD12 ILE 22 2HD1 ILE 22 38.620 7.382 -4.250
184 HD13 ILE 22 3HD1 ILE 22 37.299 8.013 -3.266
185 H PHE 23 H PHE 23 37.003 5.945 1.262
186 HA PHE 23 HA PHE 23 39.350 6.420 2.736
187 HB2 PHE 23 1HB PHE 23 37.126 7.425 3.208
188 HB3 PHE 23 2HB PHE 23 36.588 5.874 3.825
189 HD1 PHE 23 HD1 PHE 23 37.399 5.024 5.973
190 HD2 PHE 23 HD2 PHE 23 38.699 8.818 4.436
191 HE1 PHE 23 HE1 PHE 23 38.294 5.623 8.207
192 HE2 PHE 23 HE2 PHE 23 39.594 9.417 6.670
193 HZ PHE 23 HZ PHE 23 39.392 7.819 8.555
194 H LEU 24 H LEU 24 37.170 3.620 2.691
195 HA LEU 24 HA LEU 24 38.481 2.123 4.699
196 HB2 LEU 24 1HB LEU 24 36.873 1.305 2.287
197 HB3 LEU 24 2HB LEU 24 37.570 0.116 3.387
198 HG LEU 24 HG LEU 24 36.437 1.467 5.271
199 HD11 LEU 24 1HD1 LEU 24 35.230 2.667 2.794
200 HD12 LEU 24 2HD1 LEU 24 35.742 3.467 4.279
201 HD13 LEU 24 3HD1 LEU 24 34.255 2.520 4.256
202 HD21 LEU 24 1HD2 LEU 24 34.811 -0.053 3.209
203 HD22 LEU 24 2HD2 LEU 24 34.259 0.306 4.845
204 HD23 LEU 24 3HD2 LEU 24 35.656 -0.742 4.595
205 H ILE 25 H ILE 25 39.122 2.417 1.219
206 HA ILE 25 HA ILE 25 41.268 0.587 1.119
207 HB ILE 25 HB ILE 25 41.044 3.140 -0.484
208 HG12 ILE 25 1HG1 ILE 25 38.952 1.864 -0.670
209 HG13 ILE 25 2HG1 ILE 25 39.869 1.760 -2.168
210 HG21 ILE 25 1HG2 ILE 25 42.512 0.529 -0.863
211 HG22 ILE 25 2HG2 ILE 25 43.193 2.155 -0.776
212 HG23 ILE 25 3HG2 ILE 25 42.240 1.671 -2.180
213 HD11 ILE 25 1HD1 ILE 25 40.738 -0.462 -1.458
214 HD12 ILE 25 2HD1 ILE 25 38.981 -0.444 -1.570
215 HD13 ILE 25 3HD1 ILE 25 39.761 -0.355 0.006
216 H LYS 26 H LYS 26 41.127 3.935 2.234
217 HA LYS 26 HA LYS 26 43.880 4.491 2.071
218 HB2 LYS 26 1HB LYS 26 42.092 6.189 2.418
219 HB3 LYS 26 2HB LYS 26 41.904 5.607 4.070
220 HG2 LYS 26 1HG LYS 26 43.364 7.474 4.236
221 HG3 LYS 26 2HG LYS 26 44.417 6.067 4.352
222 HD2 LYS 26 1HD LYS 26 44.998 6.261 1.985
223 HD3 LYS 26 2HD LYS 26 43.876 7.609 1.799
224 HE2 LYS 26 1HE LYS 26 45.199 9.049 3.116
225 HE3 LYS 26 2HE LYS 26 46.097 7.712 3.833
226 HZ1 LYS 26 1HZ LYS 26 46.201 8.184 0.928
227 HZ2 LYS 26 2HZ LYS 26 47.329 7.398 1.927
228 HZ3 LYS 26 3HZ LYS 26 47.185 9.091 1.972
229 H ILE 27 H ILE 27 41.941 3.108 4.728
230 HA ILE 27 HA ILE 27 44.140 2.951 6.516
231 HB ILE 27 HB ILE 27 42.854 1.252 7.771
232 HG12 ILE 27 1HG1 ILE 27 40.626 1.688 5.795
233 HG13 ILE 27 2HG1 ILE 27 41.746 0.337 5.605
234 HG21 ILE 27 1HG2 ILE 27 41.253 3.659 6.861
235 HG22 ILE 27 2HG2 ILE 27 42.522 3.688 8.086
236 HG23 ILE 27 3HG2 ILE 27 41.038 2.780 8.375
237 HD11 ILE 27 1HD1 ILE 27 41.220 -0.307 7.995
238 HD12 ILE 27 2HD1 ILE 27 39.868 -0.473 6.875
239 HD13 ILE 27 3HD1 ILE 27 39.942 0.908 7.969
240 H LEU 28 H LEU 28 42.991 0.703 4.033
241 HA LEU 28 HA LEU 28 44.840 -1.357 4.547
242 HB2 LEU 28 1HB LEU 28 43.819 -0.460 1.843
243 HB3 LEU 28 2HB LEU 28 44.525 -2.027 2.228
244 HG LEU 28 HG LEU 28 42.008 -0.915 3.504
245 HD11 LEU 28 1HD1 LEU 28 42.344 -3.095 1.420
246 HD12 LEU 28 2HD1 LEU 28 41.744 -1.470 1.088
247 HD13 LEU 28 3HD1 LEU 28 40.821 -2.554 2.129
248 HD21 LEU 28 1HD2 LEU 28 41.830 -3.429 4.126
249 HD22 LEU 28 2HD2 LEU 28 42.971 -2.440 5.037
250 HD23 LEU 28 3HD2 LEU 28 43.552 -3.498 3.751
251 H ALA 29 H ALA 29 45.235 1.709 2.865
252 HA ALA 29 HA ALA 29 47.764 1.229 1.725
253 HB1 ALA 29 1HB ALA 29 46.869 3.909 2.771
254 HB2 ALA 29 2HB ALA 29 46.172 3.195 1.316
255 HB3 ALA 29 3HB ALA 29 47.897 3.562 1.381
256 H ALA 30 H ALA 30 46.832 2.433 4.928
257 HA ALA 30 HA ALA 30 49.411 3.085 5.845
258 HB1 ALA 30 1HB ALA 30 47.220 3.603 6.997
259 HB2 ALA 30 2HB ALA 30 48.495 3.004 8.058
260 HB3 ALA 30 3HB ALA 30 47.196 1.927 7.546
261 H SER 31 H SER 31 47.625 0.017 5.917
262 HA SER 31 HA SER 31 49.579 -1.528 7.233
263 HB2 SER 31 1HB SER 31 47.716 -2.430 5.025
264 HB3 SER 31 2HB SER 31 48.518 -3.461 6.205
265 HG SER 31 HG SER 31 47.190 -2.752 7.738
266 H ALA 32 H ALA 32 49.293 -0.539 3.846
267 HA ALA 32 HA ALA 32 51.277 -2.253 2.794
268 HB1 ALA 32 1HB ALA 32 51.281 -0.832 0.873
269 HB2 ALA 32 2HB ALA 32 50.660 0.533 1.803
270 HB3 ALA 32 3HB ALA 32 49.625 -0.857 1.478
271 H LEU 33 H LEU 33 51.476 1.015 4.188
272 HA LEU 33 HA LEU 33 54.209 1.454 3.688
273 HB2 LEU 33 1HB LEU 33 52.606 3.182 4.503
274 HB3 LEU 33 2HB LEU 33 52.625 2.404 6.085
275 HG LEU 33 HG LEU 33 55.152 2.696 6.073
276 HD11 LEU 33 1HD1 LEU 33 55.634 3.051 3.772
277 HD12 LEU 33 2HD1 LEU 33 55.868 4.626 4.531
278 HD13 LEU 33 3HD1 LEU 33 54.391 4.294 3.624
279 HD21 LEU 33 1HD2 LEU 33 53.756 4.172 7.404
280 HD22 LEU 33 2HD2 LEU 33 53.347 5.131 5.981
281 HD23 LEU 33 3HD2 LEU 33 54.994 5.148 6.611
282 H TRP 34 H TRP 34 52.573 -0.255 6.343
283 HA TRP 34 HA TRP 34 54.849 -0.798 7.910
284 HB2 TRP 34 1HB TRP 34 52.478 -1.278 8.540
285 HB3 TRP 34 2HB TRP 34 52.511 -2.647 7.444
286 HD1 TRP 34 HD1 TRP 34 53.404 -4.860 8.363
287 HE1 TRP 34 HE1 TRP 34 54.499 -5.600 10.576
288 HE3 TRP 34 HE3 TRP 34 54.176 -0.302 10.533
289 HZ2 TRP 34 HZ2 TRP 34 55.564 -4.413 12.956
290 HZ3 TRP 34 HZ3 TRP 34 55.230 -0.136 12.766
291 HH2 TRP 34 HH2 TRP 34 55.923 -2.180 13.981
292 H ALA 35 H ALA 35 53.622 -2.392 5.003
293 HA ALA 35 HA ALA 35 55.437 -4.547 4.946
294 HB1 ALA 35 1HB ALA 35 54.773 -4.875 2.731
295 HB2 ALA 35 2HB ALA 35 54.548 -3.149 2.440
296 HB3 ALA 35 3HB ALA 35 53.388 -4.036 3.429
297 H ALA 36 H ALA 36 55.736 -1.221 3.780
298 HA ALA 36 HA ALA 36 58.170 -1.512 2.406
299 HB1 ALA 36 1HB ALA 36 57.588 1.005 3.915
300 HB2 ALA 36 2HB ALA 36 56.505 0.523 2.610
301 HB3 ALA 36 3HB ALA 36 58.215 0.798 2.280
302 H ALA 37 H ALA 37 57.503 -0.795 5.815
303 HA ALA 37 HA ALA 37 60.185 -0.479 6.635
304 HB1 ALA 37 1HB ALA 37 58.469 0.202 8.138
305 HB2 ALA 37 2HB ALA 37 59.281 -1.162 8.907
306 HB3 ALA 37 3HB ALA 37 57.722 -1.396 8.117
307 H TRP 38 H TRP 38 58.154 -3.359 6.367
308 HA TRP 38 HA TRP 38 59.845 -5.242 7.520
309 HB2 TRP 38 1HB TRP 38 57.514 -5.663 6.839
310 HB3 TRP 38 2HB TRP 38 58.011 -5.636 5.158
311 HD1 TRP 38 HD1 TRP 38 58.780 -7.846 4.141
312 HE1 TRP 38 HE1 TRP 38 59.270 -10.203 5.059
313 HE3 TRP 38 HE3 TRP 38 58.509 -6.915 9.155
314 HZ2 TRP 38 HZ2 TRP 38 59.516 -11.523 7.589
315 HZ3 TRP 38 HZ3 TRP 38 58.875 -8.734 10.793
316 HH2 TRP 38 HH2 TRP 38 59.378 -11.034 10.019
317 H HIS 39 H HIS 39 59.981 -3.868 4.256
318 HA HIS 39 HA HIS 39 62.220 -5.529 3.499
319 HB2 HIS 39 1HB HIS 39 61.141 -2.946 2.360
320 HB3 HIS 39 2HB HIS 39 62.476 -3.840 1.660
321 HD1 HIS 39 HD1 HIS 39 58.760 -3.880 2.067
322 HD2 HIS 39 HD2 HIS 39 61.711 -6.250 0.317
323 HE1 HIS 39 HE1 HIS 39 57.557 -5.547 0.589
324 H GLY 40 H GLY 40 62.027 -1.993 3.931
325 HA2 GLY 40 1HA GLY 40 64.157 -2.192 5.937
326 HA3 GLY 40 2HA GLY 40 64.379 -1.065 4.600
327 H GLN 41 H GLN 41 63.160 -1.348 7.730
328 HA GLN 41 HA GLN 41 61.340 0.686 7.940
329 HB2 GLN 41 1HB GLN 41 62.327 -0.572 9.854
330 HB3 GLN 41 2HB GLN 41 63.788 0.404 9.697
331 HG2 GLN 41 1HG GLN 41 62.494 2.449 10.094
332 HG3 GLN 41 2HG GLN 41 61.010 1.507 10.197
333 HE21 GLN 41 1HE2 GLN 41 61.578 3.037 12.400
334 HE22 GLN 41 2HE2 GLN 41 62.137 2.074 13.681
335 H LYS 42 H LYS 42 61.380 2.935 8.009
336 HA LYS 42 HA LYS 42 62.920 4.173 6.061
337 HB2 LYS 42 1HB LYS 42 60.706 4.896 7.287
338 HB3 LYS 42 2HB LYS 42 61.815 5.781 8.335
339 HG2 LYS 42 1HG LYS 42 62.543 7.177 6.621
340 HG3 LYS 42 2HG LYS 42 62.122 6.017 5.359
341 HD2 LYS 42 1HD LYS 42 60.412 7.579 5.122
342 HD3 LYS 42 2HD LYS 42 59.665 6.418 6.219
343 HE2 LYS 42 1HE LYS 42 61.245 8.696 7.365
344 HE3 LYS 42 2HE LYS 42 59.604 8.990 6.792
345 HZ1 LYS 42 1HZ LYS 42 59.823 6.611 8.373
346 HZ2 LYS 42 2HZ LYS 42 58.744 7.914 8.520
347 HZ3 LYS 42 3HZ LYS 42 60.286 8.000 9.230
348 HA PRO 43 HA PRO 43 66.834 4.952 8.093
349 HB2 PRO 43 1HB PRO 43 66.845 7.635 6.810
350 HB3 PRO 43 2HB PRO 43 68.049 6.336 6.724
351 HG2 PRO 43 1HG PRO 43 66.458 6.886 4.671
352 HG3 PRO 43 2HG PRO 43 66.931 5.221 5.060
353 HD2 PRO 43 1HD PRO 43 64.320 6.597 5.561
354 HD3 PRO 43 2HD PRO 43 64.638 4.907 5.108
355 H GLY 44 H GLY 44 67.570 5.959 9.956
356 HA2 GLY 44 1HA GLY 44 65.767 7.200 11.692
357 HA3 GLY 44 2HA GLY 44 67.520 7.248 11.865
358 H THR 45 H THR 45 65.415 9.336 12.301
359 HA THR 45 HA THR 45 65.415 11.278 10.292
360 HB THR 45 HB THR 45 64.815 12.867 12.057
361 HG1 THR 45 HG1 THR 45 66.129 12.331 13.713
362 HG21 THR 45 1HG2 THR 45 62.874 11.629 12.959
363 HG22 THR 45 2HG2 THR 45 63.610 10.111 12.441
364 HG23 THR 45 3HG2 THR 45 63.105 11.302 11.241
365 H HIS 46 H HIS 46 67.959 10.440 12.540
366 HA HIS 46 HA HIS 46 69.492 12.831 11.703
367 HB2 HIS 46 1HB HIS 46 69.958 10.982 14.045
368 HB3 HIS 46 2HB HIS 46 70.891 12.416 13.660
369 HD1 HIS 46 HD1 HIS 46 69.338 14.720 13.635
370 HD2 HIS 46 HD2 HIS 46 67.904 11.461 15.805
371 HE1 HIS 46 HE1 HIS 46 67.611 15.635 15.244
Start of MODEL 9
1 H ARG 1 3H ARG 1 45.793 17.952 -20.063
2 HA ARG 1 HA ARG 1 43.799 16.877 -19.921
3 HB2 ARG 1 1HB ARG 1 43.531 14.672 -18.892
4 HB3 ARG 1 2HB ARG 1 44.820 14.634 -20.093
5 HG2 ARG 1 1HG ARG 1 46.473 14.990 -18.225
6 HG3 ARG 1 2HG ARG 1 45.141 14.802 -17.084
7 HD2 ARG 1 1HD ARG 1 44.669 12.558 -18.077
8 HD3 ARG 1 2HD ARG 1 46.093 12.745 -19.096
9 HE ARG 1 HE ARG 1 47.367 12.147 -17.276
10 HH11 ARG 1 1HH1 ARG 1 44.310 13.371 -16.058
11 HH12 ARG 1 2HH1 ARG 1 44.722 13.042 -14.408
12 HH21 ARG 1 1HH2 ARG 1 47.840 11.746 -15.134
13 HH22 ARG 1 2HH2 ARG 1 46.694 12.132 -13.893
14 H SER 2 H SER 2 45.204 18.801 -18.155
15 HA SER 2 HA SER 2 44.661 18.390 -15.445
16 HB2 SER 2 1HB SER 2 46.026 20.252 -16.352
17 HB3 SER 2 2HB SER 2 44.554 21.010 -16.949
18 HG SER 2 HG SER 2 45.617 21.065 -14.490
19 H LEU 3 H LEU 3 42.458 19.188 -18.046
20 HA LEU 3 HA LEU 3 40.393 20.410 -16.620
21 HB2 LEU 3 1HB LEU 3 40.540 20.238 -19.095
22 HB3 LEU 3 2HB LEU 3 40.114 18.532 -18.973
23 HG LEU 3 HG LEU 3 38.003 19.219 -17.779
24 HD11 LEU 3 1HD1 LEU 3 37.388 21.689 -18.289
25 HD12 LEU 3 2HD1 LEU 3 39.127 21.932 -18.466
26 HD13 LEU 3 3HD1 LEU 3 38.466 21.372 -16.929
27 HD21 LEU 3 1HD2 LEU 3 37.708 18.683 -20.057
28 HD22 LEU 3 2HD2 LEU 3 38.617 20.094 -20.598
29 HD23 LEU 3 3HD2 LEU 3 37.000 20.292 -19.922
30 H LEU 4 H LEU 4 41.338 17.039 -16.674
31 HA LEU 4 HA LEU 4 38.910 15.828 -15.956
32 HB2 LEU 4 1HB LEU 4 40.972 14.623 -16.655
33 HB3 LEU 4 2HB LEU 4 41.685 15.000 -15.087
34 HG LEU 4 HG LEU 4 39.695 13.864 -14.013
35 HD11 LEU 4 1HD1 LEU 4 39.144 13.323 -16.921
36 HD12 LEU 4 2HD1 LEU 4 38.023 13.822 -15.654
37 HD13 LEU 4 3HD1 LEU 4 38.627 12.166 -15.695
38 HD21 LEU 4 1HD2 LEU 4 41.582 12.349 -15.829
39 HD22 LEU 4 2HD2 LEU 4 40.504 11.531 -14.699
40 HD23 LEU 4 3HD2 LEU 4 41.741 12.634 -14.096
41 H GLU 5 H GLU 5 41.164 17.681 -14.034
42 HA GLU 5 HA GLU 5 40.007 16.822 -11.506
43 HB2 GLU 5 1HB GLU 5 42.443 17.310 -11.809
44 HB3 GLU 5 2HB GLU 5 42.026 19.009 -12.020
45 HG2 GLU 5 1HG GLU 5 40.947 18.997 -9.779
46 HG3 GLU 5 2HG GLU 5 41.443 17.323 -9.569
47 H GLY 6 H GLY 6 39.407 19.343 -13.794
48 HA2 GLY 6 1HA GLY 6 38.229 21.119 -11.800
49 HA3 GLY 6 2HA GLY 6 38.463 21.475 -13.502
50 H GLU 7 H GLU 7 36.978 18.423 -13.177
51 HA GLU 7 HA GLU 7 34.450 19.567 -14.075
52 HB2 GLU 7 1HB GLU 7 35.355 16.690 -13.798
53 HB3 GLU 7 2HB GLU 7 33.822 17.210 -14.500
54 HG2 GLU 7 1HG GLU 7 36.565 18.001 -15.517
55 HG3 GLU 7 2HG GLU 7 35.530 16.779 -16.244
56 H ILE 8 H ILE 8 32.446 19.156 -13.074
57 HA ILE 8 HA ILE 8 32.633 19.236 -10.213
58 HB ILE 8 HB ILE 8 30.170 19.276 -11.971
59 HG12 ILE 8 1HG1 ILE 8 31.668 21.588 -10.702
60 HG13 ILE 8 2HG1 ILE 8 31.848 21.115 -12.393
61 HG21 ILE 8 1HG2 ILE 8 30.559 20.230 -9.119
62 HG22 ILE 8 2HG2 ILE 8 29.801 18.698 -9.554
63 HG23 ILE 8 3HG2 ILE 8 29.051 20.220 -10.034
64 HD11 ILE 8 1HD1 ILE 8 29.345 22.109 -11.012
65 HD12 ILE 8 2HD1 ILE 8 29.326 21.356 -12.608
66 HD13 ILE 8 3HD1 ILE 8 30.208 22.862 -12.354
67 HA PRO 9 HA PRO 9 31.526 14.855 -9.643
68 HB2 PRO 9 1HB PRO 9 30.379 15.592 -7.024
69 HB3 PRO 9 2HB PRO 9 31.726 14.503 -7.398
70 HG2 PRO 9 1HG PRO 9 32.076 16.892 -6.232
71 HG3 PRO 9 2HG PRO 9 33.275 16.167 -7.319
72 HD2 PRO 9 1HD PRO 9 31.314 18.362 -7.886
73 HD3 PRO 9 2HD PRO 9 32.990 18.168 -8.448
74 H PHE 10 H PHE 10 29.574 13.601 -9.709
75 HA PHE 10 HA PHE 10 27.443 14.811 -11.018
76 HB2 PHE 10 1HB PHE 10 27.519 12.234 -9.453
77 HB3 PHE 10 2HB PHE 10 26.185 12.711 -10.488
78 HD1 PHE 10 HD1 PHE 10 29.670 11.545 -10.368
79 HD2 PHE 10 HD2 PHE 10 26.422 12.715 -12.925
80 HE1 PHE 10 HE1 PHE 10 30.847 10.559 -12.316
81 HE2 PHE 10 HE2 PHE 10 27.599 11.728 -14.871
82 HZ PHE 10 HZ PHE 10 29.811 10.650 -14.567
83 HA PRO 11 HA PRO 11 25.314 17.058 -7.989
84 HB2 PRO 11 1HB PRO 11 22.680 16.046 -8.904
85 HB3 PRO 11 2HB PRO 11 23.300 17.704 -8.822
86 HG2 PRO 11 1HG PRO 11 23.023 16.388 -11.131
87 HG3 PRO 11 2HG PRO 11 24.311 17.573 -10.857
88 HD2 PRO 11 1HD PRO 11 24.487 14.597 -10.949
89 HD3 PRO 11 2HD PRO 11 25.682 15.826 -11.418
90 HA PRO 12 HA PRO 12 22.769 13.679 -5.528
91 HB2 PRO 12 1HB PRO 12 24.285 11.268 -6.402
92 HB3 PRO 12 2HB PRO 12 22.566 11.438 -5.995
93 HG2 PRO 12 1HG PRO 12 23.379 11.185 -8.513
94 HG3 PRO 12 2HG PRO 12 22.006 12.218 -8.074
95 HD2 PRO 12 1HD PRO 12 24.782 13.011 -8.843
96 HD3 PRO 12 2HD PRO 12 23.243 13.847 -9.147
97 H THR 13 H THR 13 23.530 13.687 -3.474
98 HA THR 13 HA THR 13 26.229 13.951 -2.745
99 HB THR 13 HB THR 13 24.001 12.800 -1.057
100 HG1 THR 13 HG1 THR 13 24.791 15.473 -1.577
101 HG21 THR 13 1HG2 THR 13 26.576 14.254 -0.395
102 HG22 THR 13 2HG2 THR 13 26.213 12.561 -0.056
103 HG23 THR 13 3HG2 THR 13 25.328 13.839 0.779
104 H SER 14 H SER 14 24.399 11.091 -3.550
105 HA SER 14 HA SER 14 25.649 9.228 -1.861
106 HB2 SER 14 1HB SER 14 24.503 8.758 -4.621
107 HB3 SER 14 2HB SER 14 24.793 7.533 -3.391
108 HG SER 14 HG SER 14 22.605 8.762 -3.681
109 H ILE 15 H ILE 15 26.626 10.524 -5.016
110 HA ILE 15 HA ILE 15 28.628 8.610 -5.573
111 HB ILE 15 HB ILE 15 29.587 10.272 -7.075
112 HG12 ILE 15 1HG1 ILE 15 28.059 12.527 -7.034
113 HG13 ILE 15 2HG1 ILE 15 28.049 12.140 -5.317
114 HG21 ILE 15 1HG2 ILE 15 27.765 10.360 -8.537
115 HG22 ILE 15 2HG2 ILE 15 26.608 10.647 -7.238
116 HG23 ILE 15 3HG2 ILE 15 27.317 9.045 -7.449
117 HD11 ILE 15 1HD1 ILE 15 29.979 13.374 -5.374
118 HD12 ILE 15 2HD1 ILE 15 30.304 12.988 -7.062
119 HD13 ILE 15 3HD1 ILE 15 30.681 11.814 -5.803
120 H LEU 16 H LEU 16 28.684 11.538 -3.564
121 HA LEU 16 HA LEU 16 31.440 11.524 -2.963
122 HB2 LEU 16 1HB LEU 16 29.125 12.333 -1.185
123 HB3 LEU 16 2HB LEU 16 30.816 12.773 -0.941
124 HG LEU 16 HG LEU 16 29.214 13.470 -3.420
125 HD11 LEU 16 1HD1 LEU 16 29.843 15.014 -0.897
126 HD12 LEU 16 2HD1 LEU 16 28.271 14.762 -1.658
127 HD13 LEU 16 3HD1 LEU 16 29.456 15.826 -2.414
128 HD21 LEU 16 1HD2 LEU 16 31.539 13.403 -3.958
129 HD22 LEU 16 2HD2 LEU 16 31.990 14.140 -2.420
130 HD23 LEU 16 3HD2 LEU 16 31.181 15.104 -3.655
131 H LEU 17 H LEU 17 28.723 9.721 -1.554
132 HA LEU 17 HA LEU 17 30.162 8.518 0.552
133 HB2 LEU 17 1HB LEU 17 27.906 7.266 -1.029
134 HB3 LEU 17 2HB LEU 17 28.449 6.795 0.577
135 HG LEU 17 HG LEU 17 27.366 9.537 -0.129
136 HD11 LEU 17 1HD1 LEU 17 25.336 8.870 0.984
137 HD12 LEU 17 2HD1 LEU 17 26.049 7.336 1.483
138 HD13 LEU 17 3HD1 LEU 17 25.697 7.632 -0.219
139 HD21 LEU 17 1HD2 LEU 17 28.793 9.785 1.745
140 HD22 LEU 17 2HD2 LEU 17 28.327 8.222 2.414
141 HD23 LEU 17 3HD2 LEU 17 27.195 9.574 2.458
142 H LEU 18 H LEU 18 29.919 7.651 -2.870
143 HA LEU 18 HA LEU 18 31.291 5.192 -2.739
144 HB2 LEU 18 1HB LEU 18 30.123 6.059 -4.765
145 HB3 LEU 18 2HB LEU 18 31.435 7.217 -4.983
146 HG LEU 18 HG LEU 18 33.036 5.256 -5.003
147 HD11 LEU 18 1HD1 LEU 18 31.861 3.062 -5.653
148 HD12 LEU 18 2HD1 LEU 18 30.393 3.791 -5.005
149 HD13 LEU 18 3HD1 LEU 18 31.784 3.528 -3.954
150 HD21 LEU 18 1HD2 LEU 18 30.874 5.284 -7.135
151 HD22 LEU 18 2HD2 LEU 18 32.506 4.645 -7.331
152 HD23 LEU 18 3HD2 LEU 18 32.261 6.372 -7.076
153 H LEU 19 H LEU 19 32.505 8.524 -2.928
154 HA LEU 19 HA LEU 19 35.248 7.903 -3.084
155 HB2 LEU 19 1HB LEU 19 34.019 10.235 -1.603
156 HB3 LEU 19 2HB LEU 19 35.677 10.112 -2.178
157 HG LEU 19 HG LEU 19 33.231 10.031 -3.968
158 HD11 LEU 19 1HD1 LEU 19 35.261 12.243 -3.534
159 HD12 LEU 19 2HD1 LEU 19 33.619 12.248 -2.891
160 HD13 LEU 19 3HD1 LEU 19 33.884 12.291 -4.635
161 HD21 LEU 19 1HD2 LEU 19 35.189 10.564 -5.652
162 HD22 LEU 19 2HD2 LEU 19 34.904 8.899 -5.149
163 HD23 LEU 19 3HD2 LEU 19 36.200 9.835 -4.405
164 H ALA 20 H ALA 20 33.057 7.958 -0.320
165 HA ALA 20 HA ALA 20 34.972 7.666 1.723
166 HB1 ALA 20 1HB ALA 20 32.320 6.256 1.817
167 HB2 ALA 20 2HB ALA 20 32.399 8.017 1.872
168 HB3 ALA 20 3HB ALA 20 33.197 7.060 3.119
169 H CYS 21 H CYS 21 33.387 5.251 -0.335
170 HA CYS 21 HA CYS 21 34.507 2.954 0.855
171 HB2 CYS 21 1HB CYS 21 33.790 3.460 -2.042
172 HB3 CYS 21 2HB CYS 21 34.139 1.875 -1.353
173 HG CYS 21 HG CYS 21 31.555 2.205 -1.213
174 H ILE 22 H ILE 22 35.753 5.122 -1.669
175 HA ILE 22 HA ILE 22 38.090 3.667 -2.263
176 HB ILE 22 HB ILE 22 37.673 6.667 -2.355
177 HG12 ILE 22 1HG1 ILE 22 37.357 4.564 -4.519
178 HG13 ILE 22 2HG1 ILE 22 36.014 5.274 -3.631
179 HG21 ILE 22 1HG2 ILE 22 40.050 6.039 -2.506
180 HG22 ILE 22 2HG2 ILE 22 39.462 6.581 -4.078
181 HG23 ILE 22 3HG2 ILE 22 39.669 4.859 -3.760
182 HD11 ILE 22 1HD1 ILE 22 36.058 7.163 -4.873
183 HD12 ILE 22 2HD1 ILE 22 37.064 6.252 -5.992
184 HD13 ILE 22 3HD1 ILE 22 37.814 7.300 -4.792
185 H PHE 23 H PHE 23 37.401 6.000 0.329
186 HA PHE 23 HA PHE 23 40.037 6.217 1.305
187 HB2 PHE 23 1HB PHE 23 37.365 6.472 2.645
188 HB3 PHE 23 2HB PHE 23 38.851 6.584 3.563
189 HD1 PHE 23 HD1 PHE 23 38.033 7.840 0.132
190 HD2 PHE 23 HD2 PHE 23 39.049 8.828 4.187
191 HE1 PHE 23 HE1 PHE 23 38.224 10.232 -0.498
192 HE2 PHE 23 HE2 PHE 23 39.242 11.218 3.558
193 HZ PHE 23 HZ PHE 23 38.829 11.921 1.215
194 H LEU 24 H LEU 24 37.563 3.736 1.847
195 HA LEU 24 HA LEU 24 38.934 2.260 3.818
196 HB2 LEU 24 1HB LEU 24 36.593 1.817 3.026
197 HB3 LEU 24 2HB LEU 24 37.276 1.101 1.567
198 HG LEU 24 HG LEU 24 38.659 -0.371 3.206
199 HD11 LEU 24 1HD1 LEU 24 37.925 -0.575 5.410
200 HD12 LEU 24 2HD1 LEU 24 36.334 0.096 5.050
201 HD13 LEU 24 3HD1 LEU 24 37.738 1.158 5.144
202 HD21 LEU 24 1HD2 LEU 24 35.685 -0.620 2.711
203 HD22 LEU 24 2HD2 LEU 24 36.617 -1.905 3.480
204 HD23 LEU 24 3HD2 LEU 24 37.003 -1.400 1.835
205 H ILE 25 H ILE 25 39.243 2.255 0.282
206 HA ILE 25 HA ILE 25 41.160 0.190 0.093
207 HB ILE 25 HB ILE 25 41.035 2.655 -1.653
208 HG12 ILE 25 1HG1 ILE 25 38.812 1.612 -1.537
209 HG13 ILE 25 2HG1 ILE 25 39.545 1.316 -3.109
210 HG21 ILE 25 1HG2 ILE 25 42.111 -0.142 -2.065
211 HG22 ILE 25 2HG2 ILE 25 43.035 1.360 -2.027
212 HG23 ILE 25 3HG2 ILE 25 41.922 1.043 -3.358
213 HD11 ILE 25 1HD1 ILE 25 40.246 -0.944 -2.334
214 HD12 ILE 25 2HD1 ILE 25 38.498 -0.733 -2.269
215 HD13 ILE 25 3HD1 ILE 25 39.450 -0.640 -0.789
216 H LYS 26 H LYS 26 41.522 3.638 0.835
217 HA LYS 26 HA LYS 26 44.335 3.737 0.778
218 HB2 LYS 26 1HB LYS 26 42.848 5.730 1.015
219 HB3 LYS 26 2HB LYS 26 42.544 5.254 2.686
220 HG2 LYS 26 1HG LYS 26 44.986 5.350 3.136
221 HG3 LYS 26 2HG LYS 26 45.246 5.916 1.486
222 HD2 LYS 26 1HD LYS 26 43.727 7.850 1.966
223 HD3 LYS 26 2HD LYS 26 43.647 7.317 3.647
224 HE2 LYS 26 1HE LYS 26 45.376 8.901 3.700
225 HE3 LYS 26 2HE LYS 26 46.252 7.379 3.540
226 HZ1 LYS 26 1HZ LYS 26 46.762 7.788 1.368
227 HZ2 LYS 26 2HZ LYS 26 46.756 9.378 1.965
228 HZ3 LYS 26 3HZ LYS 26 45.415 8.786 1.107
229 H ILE 27 H ILE 27 42.118 2.589 3.287
230 HA ILE 27 HA ILE 27 44.018 2.243 5.342
231 HB ILE 27 HB ILE 27 41.605 0.506 4.756
232 HG12 ILE 27 1HG1 ILE 27 41.859 2.943 6.547
233 HG13 ILE 27 2HG1 ILE 27 41.133 2.970 4.941
234 HG21 ILE 27 1HG2 ILE 27 43.060 1.050 7.363
235 HG22 ILE 27 2HG2 ILE 27 43.253 -0.418 6.405
236 HG23 ILE 27 3HG2 ILE 27 41.690 -0.037 7.128
237 HD11 ILE 27 1HD1 ILE 27 39.245 2.646 6.253
238 HD12 ILE 27 2HD1 ILE 27 40.118 1.700 7.458
239 HD13 ILE 27 3HD1 ILE 27 39.687 0.974 5.909
240 H LEU 28 H LEU 28 43.131 0.142 2.619
241 HA LEU 28 HA LEU 28 44.853 -2.007 3.240
242 HB2 LEU 28 1HB LEU 28 44.198 -0.976 0.471
243 HB3 LEU 28 2HB LEU 28 44.787 -2.582 0.882
244 HG LEU 28 HG LEU 28 42.174 -1.407 1.875
245 HD11 LEU 28 1HD1 LEU 28 42.558 -3.629 -0.141
246 HD12 LEU 28 2HD1 LEU 28 42.365 -1.944 -0.626
247 HD13 LEU 28 3HD1 LEU 28 41.072 -2.763 0.252
248 HD21 LEU 28 1HD2 LEU 28 41.839 -3.954 2.340
249 HD22 LEU 28 2HD2 LEU 28 42.839 -3.024 3.457
250 HD23 LEU 28 3HD2 LEU 28 43.597 -4.042 2.232
251 H ALA 29 H ALA 29 45.501 1.088 1.671
252 HA ALA 29 HA ALA 29 48.200 0.646 0.998
253 HB1 ALA 29 1HB ALA 29 46.617 2.648 0.461
254 HB2 ALA 29 2HB ALA 29 48.346 2.944 0.654
255 HB3 ALA 29 3HB ALA 29 47.236 3.313 1.973
256 H ALA 30 H ALA 30 46.698 1.633 4.041
257 HA ALA 30 HA ALA 30 49.021 2.406 5.415
258 HB1 ALA 30 1HB ALA 30 47.745 2.000 7.461
259 HB2 ALA 30 2HB ALA 30 46.562 1.056 6.555
260 HB3 ALA 30 3HB ALA 30 46.724 2.786 6.257
261 H SER 31 H SER 31 47.537 -0.785 4.991
262 HA SER 31 HA SER 31 49.316 -2.268 6.593
263 HB2 SER 31 1HB SER 31 48.052 -3.136 3.983
264 HB3 SER 31 2HB SER 31 48.687 -4.193 5.240
265 HG SER 31 HG SER 31 46.739 -4.046 6.029
266 H ALA 32 H ALA 32 49.638 -1.059 3.278
267 HA ALA 32 HA ALA 32 52.019 -2.426 2.610
268 HB1 ALA 32 1HB ALA 32 52.228 -0.890 0.817
269 HB2 ALA 32 2HB ALA 32 51.341 0.363 1.683
270 HB3 ALA 32 3HB ALA 32 50.491 -1.057 1.074
271 H LEU 33 H LEU 33 51.447 0.676 4.248
272 HA LEU 33 HA LEU 33 54.128 1.514 4.385
273 HB2 LEU 33 1HB LEU 33 51.928 2.025 6.401
274 HB3 LEU 33 2HB LEU 33 53.413 2.957 6.221
275 HG LEU 33 HG LEU 33 51.289 2.640 4.077
276 HD11 LEU 33 1HD1 LEU 33 50.892 5.073 4.550
277 HD12 LEU 33 2HD1 LEU 33 51.966 4.934 5.942
278 HD13 LEU 33 3HD1 LEU 33 50.458 4.021 5.897
279 HD21 LEU 33 1HD2 LEU 33 53.909 4.144 4.233
280 HD22 LEU 33 2HD2 LEU 33 52.635 4.620 3.112
281 HD23 LEU 33 3HD2 LEU 33 53.368 3.021 2.985
282 H TRP 34 H TRP 34 52.261 -0.648 6.500
283 HA TRP 34 HA TRP 34 54.243 -1.034 8.468
284 HB2 TRP 34 1HB TRP 34 51.905 -2.569 7.493
285 HB3 TRP 34 2HB TRP 34 53.104 -3.484 8.384
286 HD1 TRP 34 HD1 TRP 34 52.451 -3.688 10.803
287 HE1 TRP 34 HE1 TRP 34 51.306 -2.182 12.553
288 HE3 TRP 34 HE3 TRP 34 51.540 0.446 7.947
289 HZ2 TRP 34 HZ2 TRP 34 50.157 0.436 12.722
290 HZ3 TRP 34 HZ3 TRP 34 50.424 2.426 8.925
291 HH2 TRP 34 HH2 TRP 34 49.732 2.430 11.304
292 H ALA 35 H ALA 35 53.863 -2.473 5.257
293 HA ALA 35 HA ALA 35 55.997 -4.306 5.399
294 HB1 ALA 35 1HB ALA 35 55.465 -2.791 2.873
295 HB2 ALA 35 2HB ALA 35 54.213 -3.851 3.519
296 HB3 ALA 35 3HB ALA 35 55.794 -4.508 3.101
297 H ALA 36 H ALA 36 55.949 -0.851 4.652
298 HA ALA 36 HA ALA 36 58.605 -0.605 3.764
299 HB1 ALA 36 1HB ALA 36 56.620 1.122 3.830
300 HB2 ALA 36 2HB ALA 36 58.290 1.686 3.895
301 HB3 ALA 36 3HB ALA 36 57.337 1.577 5.375
302 H ALA 37 H ALA 37 57.227 -0.416 7.025
303 HA ALA 37 HA ALA 37 59.632 0.159 8.388
304 HB1 ALA 37 1HB ALA 37 58.384 -1.075 10.317
305 HB2 ALA 37 2HB ALA 37 57.033 -1.105 9.185
306 HB3 ALA 37 3HB ALA 37 57.726 0.435 9.691
307 H TRP 38 H TRP 38 58.147 -2.916 7.470
308 HA TRP 38 HA TRP 38 59.872 -4.674 8.761
309 HB2 TRP 38 1HB TRP 38 58.519 -5.020 6.090
310 HB3 TRP 38 2HB TRP 38 59.220 -6.308 7.043
311 HD1 TRP 38 HD1 TRP 38 57.738 -4.460 9.665
312 HE1 TRP 38 HE1 TRP 38 55.317 -5.184 10.162
313 HE3 TRP 38 HE3 TRP 38 56.685 -7.029 5.378
314 HZ2 TRP 38 HZ2 TRP 38 53.208 -6.659 8.909
315 HZ3 TRP 38 HZ3 TRP 38 54.468 -8.081 5.057
316 HH2 TRP 38 HH2 TRP 38 52.730 -7.902 6.813
317 H HIS 39 H HIS 39 60.376 -2.937 5.717
318 HA HIS 39 HA HIS 39 62.922 -4.216 5.243
319 HB2 HIS 39 1HB HIS 39 61.614 -3.182 3.417
320 HB3 HIS 39 2HB HIS 39 61.808 -1.613 4.175
321 HD1 HIS 39 HD1 HIS 39 64.120 -4.407 2.959
322 HD2 HIS 39 HD2 HIS 39 63.917 -0.244 3.066
323 HE1 HIS 39 HE1 HIS 39 66.184 -3.559 1.765
324 H GLY 40 H GLY 40 62.161 -0.800 5.942
325 HA2 GLY 40 1HA GLY 40 63.910 -0.971 8.291
326 HA3 GLY 40 2HA GLY 40 64.208 0.322 7.130
327 H GLN 41 H GLN 41 62.502 -0.468 9.928
328 HA GLN 41 HA GLN 41 60.415 1.305 9.964
329 HB2 GLN 41 1HB GLN 41 62.529 0.922 12.097
330 HB3 GLN 41 2HB GLN 41 60.983 1.731 12.352
331 HG2 GLN 41 1HG GLN 41 59.777 -0.303 11.736
332 HG3 GLN 41 2HG GLN 41 61.296 -1.122 11.379
333 HE21 GLN 41 1HE2 GLN 41 59.465 -2.126 13.347
334 HE22 GLN 41 2HE2 GLN 41 60.202 -1.996 14.870
335 H LYS 42 H LYS 42 60.145 3.528 10.282
336 HA LYS 42 HA LYS 42 61.833 5.154 8.793
337 HB2 LYS 42 1HB LYS 42 59.660 5.722 10.781
338 HB3 LYS 42 2HB LYS 42 60.594 7.049 10.090
339 HG2 LYS 42 1HG LYS 42 58.819 6.858 8.577
340 HG3 LYS 42 2HG LYS 42 60.073 5.887 7.804
341 HD2 LYS 42 1HD LYS 42 59.108 3.840 8.658
342 HD3 LYS 42 2HD LYS 42 57.951 4.741 9.639
343 HE2 LYS 42 1HE LYS 42 57.118 5.766 7.442
344 HE3 LYS 42 2HE LYS 42 58.054 4.512 6.628
345 HZ1 LYS 42 1HZ LYS 42 55.910 4.063 8.633
346 HZ2 LYS 42 2HZ LYS 42 56.834 2.844 7.893
347 HZ3 LYS 42 3HZ LYS 42 55.783 3.800 6.962
348 HA PRO 43 HA PRO 43 65.226 6.047 11.511
349 HB2 PRO 43 1HB PRO 43 65.720 8.715 10.926
350 HB3 PRO 43 2HB PRO 43 66.299 7.339 9.971
351 HG2 PRO 43 1HG PRO 43 63.962 9.110 9.500
352 HG3 PRO 43 2HG PRO 43 65.110 8.413 8.340
353 HD2 PRO 43 1HD PRO 43 62.636 7.379 8.661
354 HD3 PRO 43 2HD PRO 43 64.039 6.348 8.301
355 H GLY 44 H GLY 44 62.328 7.974 11.630
356 HA2 GLY 44 1HA GLY 44 62.895 9.769 13.679
357 HA3 GLY 44 2HA GLY 44 61.297 9.129 13.327
358 H THR 45 H THR 45 62.293 6.320 13.904
359 HA THR 45 HA THR 45 61.456 6.107 16.560
360 HB THR 45 HB THR 45 61.487 4.191 15.043
361 HG1 THR 45 HG1 THR 45 61.860 4.038 17.427
362 HG21 THR 45 1HG2 THR 45 64.498 4.193 15.334
363 HG22 THR 45 2HG2 THR 45 63.671 4.893 13.942
364 HG23 THR 45 3HG2 THR 45 63.516 3.170 14.285
365 H HIS 46 H HIS 46 62.519 5.922 18.516
366 HA HIS 46 HA HIS 46 65.301 6.928 18.549
367 HB2 HIS 46 1HB HIS 46 63.216 6.971 20.733
368 HB3 HIS 46 2HB HIS 46 64.827 7.657 20.830
369 HD1 HIS 46 HD1 HIS 46 65.271 9.611 18.906
370 HD2 HIS 46 HD2 HIS 46 61.314 8.777 19.919
371 HE1 HIS 46 HE1 HIS 46 63.904 11.597 18.138
Start of MODEL 10
1 H ARG 1 3H ARG 1 22.247 15.857 19.661
2 HA ARG 1 HA ARG 1 20.959 18.008 20.457
3 HB2 ARG 1 1HB ARG 1 22.657 18.857 18.090
4 HB3 ARG 1 2HB ARG 1 21.269 19.757 18.703
5 HG2 ARG 1 1HG ARG 1 22.397 19.896 20.929
6 HG3 ARG 1 2HG ARG 1 23.815 19.122 20.221
7 HD2 ARG 1 1HD ARG 1 22.597 21.757 19.348
8 HD3 ARG 1 2HD ARG 1 24.109 21.552 20.226
9 HE ARG 1 HE ARG 1 24.598 20.085 18.049
10 HH11 ARG 1 1HH1 ARG 1 23.165 23.283 18.282
11 HH12 ARG 1 2HH1 ARG 1 23.743 23.762 16.722
12 HH21 ARG 1 1HH2 ARG 1 25.315 20.761 16.049
13 HH22 ARG 1 2HH2 ARG 1 24.944 22.353 15.474
14 H SER 2 H SER 2 18.954 17.687 19.676
15 HA SER 2 HA SER 2 18.334 15.678 17.835
16 HB2 SER 2 1HB SER 2 16.759 16.599 19.516
17 HB3 SER 2 2HB SER 2 16.636 18.072 18.560
18 HG SER 2 HG SER 2 15.083 16.965 17.632
19 H LEU 3 H LEU 3 19.147 19.031 17.255
20 HA LEU 3 HA LEU 3 17.930 19.446 14.776
21 HB2 LEU 3 1HB LEU 3 19.141 21.117 16.238
22 HB3 LEU 3 2HB LEU 3 20.644 20.505 15.558
23 HG LEU 3 HG LEU 3 18.513 21.234 13.592
24 HD11 LEU 3 1HD1 LEU 3 18.230 23.153 14.949
25 HD12 LEU 3 2HD1 LEU 3 19.375 23.651 13.704
26 HD13 LEU 3 3HD1 LEU 3 19.951 23.247 15.321
27 HD21 LEU 3 1HD2 LEU 3 21.010 20.440 13.224
28 HD22 LEU 3 2HD2 LEU 3 21.381 22.133 13.529
29 HD23 LEU 3 3HD2 LEU 3 20.319 21.690 12.194
30 H LEU 4 H LEU 4 20.708 17.473 15.550
31 HA LEU 4 HA LEU 4 22.048 17.474 13.087
32 HB2 LEU 4 1HB LEU 4 22.902 16.472 15.200
33 HB3 LEU 4 2HB LEU 4 21.750 15.152 15.002
34 HG LEU 4 HG LEU 4 22.779 14.722 12.728
35 HD11 LEU 4 1HD1 LEU 4 25.182 15.645 12.583
36 HD12 LEU 4 2HD1 LEU 4 24.673 16.820 13.795
37 HD13 LEU 4 3HD1 LEU 4 23.871 16.769 12.225
38 HD21 LEU 4 1HD2 LEU 4 23.404 13.234 14.475
39 HD22 LEU 4 2HD2 LEU 4 24.373 14.466 15.283
40 HD23 LEU 4 3HD2 LEU 4 24.931 13.761 13.766
41 H GLU 5 H GLU 5 19.083 15.883 14.046
42 HA GLU 5 HA GLU 5 19.060 14.131 11.718
43 HB2 GLU 5 1HB GLU 5 18.174 13.456 13.957
44 HB3 GLU 5 2HB GLU 5 16.881 14.636 13.751
45 HG2 GLU 5 1HG GLU 5 16.032 12.489 13.068
46 HG3 GLU 5 2HG GLU 5 16.243 13.456 11.618
47 H GLY 6 H GLY 6 17.910 17.316 12.490
48 HA2 GLY 6 1HA GLY 6 15.906 17.279 10.370
49 HA3 GLY 6 2HA GLY 6 16.213 18.593 11.491
50 H GLU 7 H GLU 7 19.195 17.650 10.192
51 HA GLU 7 HA GLU 7 19.205 20.027 8.502
52 HB2 GLU 7 1HB GLU 7 21.065 19.519 10.112
53 HB3 GLU 7 2HB GLU 7 21.472 18.118 9.120
54 HG2 GLU 7 1HG GLU 7 21.764 19.627 7.162
55 HG3 GLU 7 2HG GLU 7 21.443 21.007 8.202
56 H ILE 8 H ILE 8 19.725 20.005 6.289
57 HA ILE 8 HA ILE 8 18.729 17.684 4.923
58 HB ILE 8 HB ILE 8 19.054 19.041 2.869
59 HG12 ILE 8 1HG1 ILE 8 20.052 21.179 4.776
60 HG13 ILE 8 2HG1 ILE 8 21.108 20.234 3.724
61 HG21 ILE 8 1HG2 ILE 8 17.753 20.504 5.186
62 HG22 ILE 8 2HG2 ILE 8 16.993 19.246 4.213
63 HG23 ILE 8 3HG2 ILE 8 17.424 20.790 3.477
64 HD11 ILE 8 1HD1 ILE 8 20.506 22.408 2.700
65 HD12 ILE 8 2HD1 ILE 8 18.802 21.959 2.777
66 HD13 ILE 8 3HD1 ILE 8 19.908 21.049 1.749
67 HA PRO 9 HA PRO 9 22.810 15.931 4.092
68 HB2 PRO 9 1HB PRO 9 22.278 14.491 1.819
69 HB3 PRO 9 2HB PRO 9 21.850 13.941 3.451
70 HG2 PRO 9 1HG PRO 9 20.139 15.206 1.378
71 HG3 PRO 9 2HG PRO 9 19.764 13.891 2.508
72 HD2 PRO 9 1HD PRO 9 18.925 16.448 2.921
73 HD3 PRO 9 2HD PRO 9 19.290 15.330 4.253
74 H PHE 10 H PHE 10 24.600 16.408 2.777
75 HA PHE 10 HA PHE 10 24.612 18.728 1.234
76 HB2 PHE 10 1HB PHE 10 26.484 16.363 1.054
77 HB3 PHE 10 2HB PHE 10 26.801 17.958 0.398
78 HD1 PHE 10 HD1 PHE 10 26.564 15.920 3.447
79 HD2 PHE 10 HD2 PHE 10 27.347 19.838 1.869
80 HE1 PHE 10 HE1 PHE 10 27.530 16.605 5.627
81 HE2 PHE 10 HE2 PHE 10 28.312 20.523 4.049
82 HZ PHE 10 HZ PHE 10 28.403 18.906 5.927
83 HA PRO 11 HA PRO 11 22.536 17.714 -2.439
84 HB2 PRO 11 1HB PRO 11 24.694 18.895 -4.106
85 HB3 PRO 11 2HB PRO 11 22.971 19.304 -4.020
86 HG2 PRO 11 1HG PRO 11 24.858 20.861 -2.950
87 HG3 PRO 11 2HG PRO 11 23.247 20.691 -2.231
88 HD2 PRO 11 1HD PRO 11 25.841 19.545 -1.312
89 HD3 PRO 11 2HD PRO 11 24.421 20.049 -0.368
90 HA PRO 12 HA PRO 12 25.774 14.720 -4.572
91 HB2 PRO 12 1HB PRO 12 27.624 14.503 -2.243
92 HB3 PRO 12 2HB PRO 12 27.980 14.415 -3.980
93 HG2 PRO 12 1HG PRO 12 28.609 16.557 -2.529
94 HG3 PRO 12 2HG PRO 12 28.082 16.689 -4.216
95 HD2 PRO 12 1HD PRO 12 26.571 17.332 -1.723
96 HD3 PRO 12 2HD PRO 12 26.470 18.080 -3.332
97 H THR 13 H THR 13 25.099 12.577 -4.261
98 HA THR 13 HA THR 13 24.354 11.800 -1.500
99 HB THR 13 HB THR 13 22.800 11.151 -4.014
100 HG1 THR 13 HG1 THR 13 22.471 13.264 -3.408
101 HG21 THR 13 1HG2 THR 13 22.260 10.559 -1.090
102 HG22 THR 13 2HG2 THR 13 22.723 9.371 -2.309
103 HG23 THR 13 3HG2 THR 13 21.169 10.198 -2.428
104 H SER 14 H SER 14 23.998 9.641 -4.286
105 HA SER 14 HA SER 14 25.401 7.577 -2.986
106 HB2 SER 14 1HB SER 14 25.240 6.373 -5.082
107 HB3 SER 14 2HB SER 14 23.740 7.255 -4.816
108 HG SER 14 HG SER 14 24.236 7.864 -6.813
109 H ILE 15 H ILE 15 26.486 10.055 -5.280
110 HA ILE 15 HA ILE 15 29.001 8.918 -5.861
111 HB ILE 15 HB ILE 15 27.795 10.853 -6.980
112 HG12 ILE 15 1HG1 ILE 15 30.041 10.125 -7.626
113 HG13 ILE 15 2HG1 ILE 15 29.845 11.861 -7.797
114 HG21 ILE 15 1HG2 ILE 15 27.449 12.227 -4.958
115 HG22 ILE 15 2HG2 ILE 15 28.259 13.108 -6.253
116 HG23 ILE 15 3HG2 ILE 15 29.188 12.511 -4.878
117 HD11 ILE 15 1HD1 ILE 15 31.654 10.328 -6.047
118 HD12 ILE 15 2HD1 ILE 15 30.868 11.685 -5.247
119 HD13 ILE 15 3HD1 ILE 15 31.828 11.954 -6.698
120 H LEU 16 H LEU 16 27.898 10.890 -3.118
121 HA LEU 16 HA LEU 16 30.420 11.286 -1.917
122 HB2 LEU 16 1HB LEU 16 27.969 12.127 -1.300
123 HB3 LEU 16 2HB LEU 16 28.016 10.741 -0.221
124 HG LEU 16 HG LEU 16 28.751 12.703 0.990
125 HD11 LEU 16 1HD1 LEU 16 31.351 11.328 0.402
126 HD12 LEU 16 2HD1 LEU 16 30.037 10.428 1.159
127 HD13 LEU 16 3HD1 LEU 16 30.694 11.860 1.949
128 HD21 LEU 16 1HD2 LEU 16 31.090 13.069 -0.854
129 HD22 LEU 16 2HD2 LEU 16 30.350 14.227 0.250
130 HD23 LEU 16 3HD2 LEU 16 29.537 13.800 -1.257
131 H LEU 17 H LEU 17 28.149 8.561 -1.777
132 HA LEU 17 HA LEU 17 29.509 7.025 0.149
133 HB2 LEU 17 1HB LEU 17 27.238 6.559 -0.833
134 HB3 LEU 17 2HB LEU 17 28.051 5.934 -2.265
135 HG LEU 17 HG LEU 17 28.901 4.875 0.409
136 HD11 LEU 17 1HD1 LEU 17 26.476 4.752 0.582
137 HD12 LEU 17 2HD1 LEU 17 27.107 3.138 0.254
138 HD13 LEU 17 3HD1 LEU 17 26.362 4.073 -1.042
139 HD21 LEU 17 1HD2 LEU 17 28.810 3.966 -2.452
140 HD22 LEU 17 2HD2 LEU 17 28.841 2.749 -1.176
141 HD23 LEU 17 3HD2 LEU 17 30.152 3.918 -1.311
142 H LEU 18 H LEU 18 30.027 7.343 -3.342
143 HA LEU 18 HA LEU 18 32.009 5.357 -3.617
144 HB2 LEU 18 1HB LEU 18 30.916 6.566 -5.507
145 HB3 LEU 18 2HB LEU 18 31.875 7.990 -5.103
146 HG LEU 18 HG LEU 18 33.941 6.526 -5.337
147 HD11 LEU 18 1HD1 LEU 18 33.442 4.513 -6.903
148 HD12 LEU 18 2HD1 LEU 18 31.792 4.641 -6.294
149 HD13 LEU 18 3HD1 LEU 18 33.121 4.321 -5.179
150 HD21 LEU 18 1HD2 LEU 18 32.085 7.157 -7.630
151 HD22 LEU 18 2HD2 LEU 18 33.672 6.444 -7.919
152 HD23 LEU 18 3HD2 LEU 18 33.541 8.014 -7.127
153 H LEU 19 H LEU 19 32.239 8.742 -2.591
154 HA LEU 19 HA LEU 19 35.041 8.902 -2.392
155 HB2 LEU 19 1HB LEU 19 33.368 10.779 -2.154
156 HB3 LEU 19 2HB LEU 19 33.078 10.218 -0.510
157 HG LEU 19 HG LEU 19 35.920 10.671 -1.354
158 HD11 LEU 19 1HD1 LEU 19 34.667 12.679 -2.151
159 HD12 LEU 19 2HD1 LEU 19 35.787 13.050 -0.840
160 HD13 LEU 19 3HD1 LEU 19 34.059 12.913 -0.512
161 HD21 LEU 19 1HD2 LEU 19 34.277 10.724 1.158
162 HD22 LEU 19 2HD2 LEU 19 35.775 11.654 1.107
163 HD23 LEU 19 3HD2 LEU 19 35.810 9.913 0.847
164 H ALA 20 H ALA 20 32.639 7.576 -0.162
165 HA ALA 20 HA ALA 20 34.347 7.143 2.034
166 HB1 ALA 20 1HB ALA 20 31.777 6.875 1.860
167 HB2 ALA 20 2HB ALA 20 32.661 5.763 2.905
168 HB3 ALA 20 3HB ALA 20 32.135 5.240 1.306
169 H CYS 21 H CYS 21 33.622 5.123 -0.789
170 HA CYS 21 HA CYS 21 35.087 2.854 0.006
171 HB2 CYS 21 1HB CYS 21 34.571 3.927 -2.777
172 HB3 CYS 21 2HB CYS 21 35.183 2.313 -2.415
173 HG CYS 21 HG CYS 21 32.360 3.283 -1.464
174 H ILE 22 H ILE 22 36.083 5.778 -1.746
175 HA ILE 22 HA ILE 22 38.732 4.987 -2.288
176 HB ILE 22 HB ILE 22 37.693 7.778 -1.730
177 HG12 ILE 22 1HG1 ILE 22 38.041 6.320 -4.367
178 HG13 ILE 22 2HG1 ILE 22 36.494 6.501 -3.540
179 HG21 ILE 22 1HG2 ILE 22 39.615 8.509 -3.073
180 HG22 ILE 22 2HG2 ILE 22 40.127 6.834 -3.282
181 HG23 ILE 22 3HG2 ILE 22 40.173 7.578 -1.683
182 HD11 ILE 22 1HD1 ILE 22 36.584 8.285 -5.123
183 HD12 ILE 22 2HD1 ILE 22 38.248 8.678 -4.691
184 HD13 ILE 22 3HD1 ILE 22 36.939 9.020 -3.560
185 H PHE 23 H PHE 23 37.285 6.450 0.612
186 HA PHE 23 HA PHE 23 39.674 6.844 2.050
187 HB2 PHE 23 1HB PHE 23 37.418 7.643 2.740
188 HB3 PHE 23 2HB PHE 23 37.001 5.994 3.164
189 HD1 PHE 23 HD1 PHE 23 37.965 4.920 5.142
190 HD2 PHE 23 HD2 PHE 23 38.970 8.957 4.077
191 HE1 PHE 23 HE1 PHE 23 38.935 5.273 7.397
192 HE2 PHE 23 HE2 PHE 23 39.940 9.311 6.332
193 HZ PHE 23 HZ PHE 23 39.922 7.470 7.992
194 H LEU 24 H LEU 24 37.708 3.942 1.566
195 HA LEU 24 HA LEU 24 38.920 2.363 3.568
196 HB2 LEU 24 1HB LEU 24 37.672 1.467 0.962
197 HB3 LEU 24 2HB LEU 24 37.977 0.447 2.367
198 HG LEU 24 HG LEU 24 36.193 2.900 2.375
199 HD11 LEU 24 1HD1 LEU 24 35.370 0.909 1.024
200 HD12 LEU 24 2HD1 LEU 24 34.327 1.385 2.365
201 HD13 LEU 24 3HD1 LEU 24 35.387 -0.016 2.526
202 HD21 LEU 24 1HD2 LEU 24 36.980 0.837 4.431
203 HD22 LEU 24 2HD2 LEU 24 35.444 1.694 4.558
204 HD23 LEU 24 3HD2 LEU 24 36.961 2.594 4.586
205 H ILE 25 H ILE 25 39.702 2.732 0.106
206 HA ILE 25 HA ILE 25 41.859 0.893 0.209
207 HB ILE 25 HB ILE 25 42.677 1.867 -1.876
208 HG12 ILE 25 1HG1 ILE 25 40.380 3.809 -1.744
209 HG13 ILE 25 2HG1 ILE 25 41.997 4.266 -1.200
210 HG21 ILE 25 1HG2 ILE 25 39.664 1.563 -1.757
211 HG22 ILE 25 2HG2 ILE 25 40.825 0.242 -1.893
212 HG23 ILE 25 3HG2 ILE 25 40.658 1.407 -3.205
213 HD11 ILE 25 1HD1 ILE 25 42.829 3.444 -3.476
214 HD12 ILE 25 2HD1 ILE 25 41.879 4.930 -3.489
215 HD13 ILE 25 3HD1 ILE 25 41.136 3.404 -3.967
216 H LYS 26 H LYS 26 41.679 4.308 1.065
217 HA LYS 26 HA LYS 26 44.445 4.834 0.999
218 HB2 LYS 26 1HB LYS 26 42.660 6.559 1.195
219 HB3 LYS 26 2HB LYS 26 42.397 6.051 2.864
220 HG2 LYS 26 1HG LYS 26 44.785 6.558 3.362
221 HG3 LYS 26 2HG LYS 26 44.977 7.155 1.713
222 HD2 LYS 26 1HD LYS 26 43.132 8.795 2.153
223 HD3 LYS 26 2HD LYS 26 43.124 8.269 3.836
224 HE2 LYS 26 1HE LYS 26 44.563 10.097 3.945
225 HE3 LYS 26 2HE LYS 26 45.707 8.778 3.701
226 HZ1 LYS 26 1HZ LYS 26 45.401 9.255 1.239
227 HZ2 LYS 26 2HZ LYS 26 46.305 10.377 2.140
228 HZ3 LYS 26 3HZ LYS 26 44.696 10.722 1.719
229 H ILE 27 H ILE 27 42.376 3.609 3.637
230 HA ILE 27 HA ILE 27 44.495 3.488 5.519
231 HB ILE 27 HB ILE 27 43.110 1.930 6.822
232 HG12 ILE 27 1HG1 ILE 27 41.001 2.221 4.693
233 HG13 ILE 27 2HG1 ILE 27 42.108 0.845 4.691
234 HG21 ILE 27 1HG2 ILE 27 41.356 4.120 5.724
235 HG22 ILE 27 2HG2 ILE 27 42.798 4.492 6.670
236 HG23 ILE 27 3HG2 ILE 27 41.491 3.548 7.386
237 HD11 ILE 27 1HD1 ILE 27 40.030 1.598 6.733
238 HD12 ILE 27 2HD1 ILE 27 41.410 0.602 7.195
239 HD13 ILE 27 3HD1 ILE 27 40.297 0.042 5.947
240 H LEU 28 H LEU 28 43.420 1.176 3.071
241 HA LEU 28 HA LEU 28 45.090 -0.958 3.806
242 HB2 LEU 28 1HB LEU 28 43.327 -1.052 2.050
243 HB3 LEU 28 2HB LEU 28 44.374 -0.107 0.993
244 HG LEU 28 HG LEU 28 46.143 -1.898 1.320
245 HD11 LEU 28 1HD1 LEU 28 43.778 -3.206 2.674
246 HD12 LEU 28 2HD1 LEU 28 45.417 -3.006 3.298
247 HD13 LEU 28 3HD1 LEU 28 45.103 -4.150 1.993
248 HD21 LEU 28 1HD2 LEU 28 44.993 -1.922 -0.755
249 HD22 LEU 28 2HD2 LEU 28 43.486 -2.453 -0.007
250 HD23 LEU 28 3HD2 LEU 28 44.842 -3.573 -0.153
251 H ALA 29 H ALA 29 45.800 1.995 2.015
252 HA ALA 29 HA ALA 29 48.381 1.285 1.123
253 HB1 ALA 29 1HB ALA 29 46.963 3.295 0.428
254 HB2 ALA 29 2HB ALA 29 48.692 3.578 0.632
255 HB3 ALA 29 3HB ALA 29 47.561 4.083 1.888
256 H ALA 30 H ALA 30 47.285 2.856 4.113
257 HA ALA 30 HA ALA 30 49.838 3.424 5.159
258 HB1 ALA 30 1HB ALA 30 47.380 2.692 6.761
259 HB2 ALA 30 2HB ALA 30 47.658 4.284 6.059
260 HB3 ALA 30 3HB ALA 30 48.750 3.663 7.296
261 H SER 31 H SER 31 47.785 0.548 5.471
262 HA SER 31 HA SER 31 49.461 -0.928 7.184
263 HB2 SER 31 1HB SER 31 47.696 -2.005 4.974
264 HB3 SER 31 2HB SER 31 48.290 -2.897 6.371
265 HG SER 31 HG SER 31 47.192 -1.193 7.630
266 H ALA 32 H ALA 32 49.564 -0.445 3.681
267 HA ALA 32 HA ALA 32 51.367 -2.541 3.085
268 HB1 ALA 32 1HB ALA 32 50.089 -1.416 1.338
269 HB2 ALA 32 2HB ALA 32 51.815 -1.272 1.005
270 HB3 ALA 32 3HB ALA 32 50.927 0.099 1.671
271 H LEU 33 H LEU 33 51.906 0.896 3.868
272 HA LEU 33 HA LEU 33 54.703 0.881 3.533
273 HB2 LEU 33 1HB LEU 33 53.072 2.508 5.498
274 HB3 LEU 33 2HB LEU 33 54.712 2.869 4.963
275 HG LEU 33 HG LEU 33 52.302 2.695 3.131
276 HD11 LEU 33 1HD1 LEU 33 52.282 5.076 3.095
277 HD12 LEU 33 2HD1 LEU 33 53.835 5.178 3.923
278 HD13 LEU 33 3HD1 LEU 33 52.401 4.645 4.801
279 HD21 LEU 33 1HD2 LEU 33 54.172 2.230 1.790
280 HD22 LEU 33 2HD2 LEU 33 55.234 3.267 2.744
281 HD23 LEU 33 3HD2 LEU 33 54.045 3.984 1.656
282 H TRP 34 H TRP 34 52.686 -0.001 6.324
283 HA TRP 34 HA TRP 34 54.761 -0.423 8.178
284 HB2 TRP 34 1HB TRP 34 52.314 -0.456 8.673
285 HB3 TRP 34 2HB TRP 34 52.223 -2.033 7.912
286 HD1 TRP 34 HD1 TRP 34 52.896 -4.090 9.319
287 HE1 TRP 34 HE1 TRP 34 53.668 -4.421 11.755
288 HE3 TRP 34 HE3 TRP 34 53.773 0.766 10.633
289 HZ2 TRP 34 HZ2 TRP 34 54.542 -2.833 13.974
290 HZ3 TRP 34 HZ3 TRP 34 54.572 1.327 12.907
291 HH2 TRP 34 HH2 TRP 34 54.958 -0.461 14.578
292 H ALA 35 H ALA 35 53.508 -2.501 5.607
293 HA ALA 35 HA ALA 35 54.979 -4.819 6.251
294 HB1 ALA 35 1HB ALA 35 54.439 -4.045 3.405
295 HB2 ALA 35 2HB ALA 35 53.098 -4.431 4.482
296 HB3 ALA 35 3HB ALA 35 54.348 -5.633 4.166
297 H ALA 36 H ALA 36 55.816 -1.989 4.300
298 HA ALA 36 HA ALA 36 58.192 -3.001 3.192
299 HB1 ALA 36 1HB ALA 36 57.507 -0.135 3.889
300 HB2 ALA 36 2HB ALA 36 57.111 -0.953 2.376
301 HB3 ALA 36 3HB ALA 36 58.797 -0.648 2.800
302 H ALA 37 H ALA 37 57.607 -1.251 6.221
303 HA ALA 37 HA ALA 37 60.311 -1.072 7.025
304 HB1 ALA 37 1HB ALA 37 58.109 -1.421 9.025
305 HB2 ALA 37 2HB ALA 37 58.151 0.024 8.015
306 HB3 ALA 37 3HB ALA 37 59.508 -0.349 9.078
307 H TRP 38 H TRP 38 57.853 -3.547 7.625
308 HA TRP 38 HA TRP 38 59.254 -5.166 9.402
309 HB2 TRP 38 1HB TRP 38 56.866 -5.400 8.868
310 HB3 TRP 38 2HB TRP 38 57.286 -6.019 7.283
311 HD1 TRP 38 HD1 TRP 38 57.492 -8.541 7.090
312 HE1 TRP 38 HE1 TRP 38 57.683 -10.504 8.749
313 HE3 TRP 38 HE3 TRP 38 57.944 -5.952 11.467
314 HZ2 TRP 38 HZ2 TRP 38 57.990 -10.921 11.566
315 HZ3 TRP 38 HZ3 TRP 38 58.185 -7.153 13.619
316 HH2 TRP 38 HH2 TRP 38 58.208 -9.629 13.676
317 H HIS 39 H HIS 39 59.494 -5.043 5.872
318 HA HIS 39 HA HIS 39 61.355 -7.256 5.791
319 HB2 HIS 39 1HB HIS 39 60.745 -5.107 3.750
320 HB3 HIS 39 2HB HIS 39 61.740 -6.522 3.459
321 HD1 HIS 39 HD1 HIS 39 60.375 -8.898 3.874
322 HD2 HIS 39 HD2 HIS 39 58.094 -5.488 3.128
323 HE1 HIS 39 HE1 HIS 39 58.087 -9.710 3.161
324 H GLY 40 H GLY 40 61.769 -3.837 4.889
325 HA2 GLY 40 1HA GLY 40 63.990 -3.661 6.792
326 HA3 GLY 40 2HA GLY 40 64.285 -3.169 5.126
327 H GLN 41 H GLN 41 63.264 -2.049 8.146
328 HA GLN 41 HA GLN 41 61.862 0.227 7.587
329 HB2 GLN 41 1HB GLN 41 64.337 0.006 9.318
330 HB3 GLN 41 2HB GLN 41 63.200 1.353 9.359
331 HG2 GLN 41 1HG GLN 41 61.385 -0.152 9.999
332 HG3 GLN 41 2HG GLN 41 62.461 -1.541 9.873
333 HE21 GLN 41 1HE2 GLN 41 61.113 -0.903 12.320
334 HE22 GLN 41 2HE2 GLN 41 62.279 -0.435 13.461
335 H LYS 42 H LYS 42 62.353 2.341 6.854
336 HA LYS 42 HA LYS 42 63.716 2.313 4.445
337 HB2 LYS 42 1HB LYS 42 63.440 4.779 4.455
338 HB3 LYS 42 2HB LYS 42 61.965 3.930 4.914
339 HG2 LYS 42 1HG LYS 42 62.607 4.259 7.324
340 HG3 LYS 42 2HG LYS 42 63.946 5.267 6.776
341 HD2 LYS 42 1HD LYS 42 62.424 6.840 5.742
342 HD3 LYS 42 2HD LYS 42 61.046 5.788 6.072
343 HE2 LYS 42 1HE LYS 42 62.793 6.778 8.318
344 HE3 LYS 42 2HE LYS 42 61.484 7.778 7.688
345 HZ1 LYS 42 1HZ LYS 42 61.353 5.491 9.380
346 HZ2 LYS 42 2HZ LYS 42 60.391 5.285 7.995
347 HZ3 LYS 42 3HZ LYS 42 60.147 6.625 9.010
348 HA PRO 43 HA PRO 43 68.012 2.904 5.586
349 HB2 PRO 43 1HB PRO 43 68.298 4.703 3.241
350 HB3 PRO 43 2HB PRO 43 69.177 3.216 3.644
351 HG2 PRO 43 1HG PRO 43 67.359 3.294 1.700
352 HG3 PRO 43 2HG PRO 43 67.585 1.861 2.720
353 HD2 PRO 43 1HD PRO 43 65.408 3.911 2.820
354 HD3 PRO 43 2HD PRO 43 65.329 2.161 3.120
355 H GLY 44 H GLY 44 65.863 5.590 5.050
356 HA2 GLY 44 1HA GLY 44 65.861 7.780 5.759
357 HA3 GLY 44 2HA GLY 44 66.873 7.225 7.091
358 H THR 45 H THR 45 67.408 7.377 3.581
359 HA THR 45 HA THR 45 70.114 8.063 3.702
360 HB THR 45 HB THR 45 69.871 8.723 1.351
361 HG1 THR 45 HG1 THR 45 67.841 8.888 0.461
362 HG21 THR 45 1HG2 THR 45 69.238 6.605 0.539
363 HG22 THR 45 2HG2 THR 45 68.019 6.388 1.795
364 HG23 THR 45 3HG2 THR 45 69.732 6.275 2.200
365 H HIS 46 H HIS 46 71.230 9.995 3.554
366 HA HIS 46 HA HIS 46 69.658 12.472 3.978
367 HB2 HIS 46 1HB HIS 46 72.322 11.786 5.225
368 HB3 HIS 46 2HB HIS 46 71.401 13.257 5.475
369 HD1 HIS 46 HD1 HIS 46 68.879 12.753 6.550
370 HD2 HIS 46 HD2 HIS 46 71.843 9.880 7.140
371 HE1 HIS 46 HE1 HIS 46 68.112 11.322 8.492
Start of MODEL 11
1 H ARG 1 3H ARG 1 49.142 14.560 -11.503
2 HA ARG 1 HA ARG 1 47.001 13.216 -11.663
3 HB2 ARG 1 1HB ARG 1 47.489 15.045 -10.018
4 HB3 ARG 1 2HB ARG 1 46.817 16.202 -11.169
5 HG2 ARG 1 1HG ARG 1 44.658 15.068 -11.110
6 HG3 ARG 1 2HG ARG 1 45.313 13.820 -10.050
7 HD2 ARG 1 1HD ARG 1 44.130 15.390 -8.658
8 HD3 ARG 1 2HD ARG 1 45.853 15.631 -8.383
9 HE ARG 1 HE ARG 1 44.993 17.358 -10.448
10 HH11 ARG 1 1HH1 ARG 1 44.646 16.982 -6.974
11 HH12 ARG 1 2HH1 ARG 1 44.392 18.675 -6.716
12 HH21 ARG 1 1HH2 ARG 1 44.661 19.528 -10.052
13 HH22 ARG 1 2HH2 ARG 1 44.401 20.098 -8.437
14 H SER 2 H SER 2 45.843 12.573 -13.380
15 HA SER 2 HA SER 2 45.410 13.997 -15.742
16 HB2 SER 2 1HB SER 2 43.665 11.838 -14.532
17 HB3 SER 2 2HB SER 2 43.656 12.351 -16.216
18 HG SER 2 HG SER 2 45.641 10.991 -14.747
19 H LEU 3 H LEU 3 43.716 15.216 -16.530
20 HA LEU 3 HA LEU 3 42.392 16.979 -14.812
21 HB2 LEU 3 1HB LEU 3 41.591 16.169 -17.615
22 HB3 LEU 3 2HB LEU 3 41.071 17.625 -16.768
23 HG LEU 3 HG LEU 3 43.957 16.941 -17.403
24 HD11 LEU 3 1HD1 LEU 3 43.659 18.954 -18.968
25 HD12 LEU 3 2HD1 LEU 3 41.924 18.720 -18.760
26 HD13 LEU 3 3HD1 LEU 3 42.905 17.444 -19.480
27 HD21 LEU 3 1HD2 LEU 3 44.104 19.495 -16.877
28 HD22 LEU 3 2HD2 LEU 3 43.998 18.365 -15.528
29 HD23 LEU 3 3HD2 LEU 3 42.565 19.250 -16.052
30 H LEU 4 H LEU 4 41.473 13.750 -15.765
31 HA LEU 4 HA LEU 4 38.688 13.884 -15.446
32 HB2 LEU 4 1HB LEU 4 40.533 11.572 -14.812
33 HB3 LEU 4 2HB LEU 4 38.794 11.466 -15.079
34 HG LEU 4 HG LEU 4 40.792 12.488 -17.119
35 HD11 LEU 4 1HD1 LEU 4 41.158 10.135 -16.872
36 HD12 LEU 4 2HD1 LEU 4 40.127 10.320 -18.291
37 HD13 LEU 4 3HD1 LEU 4 39.428 9.811 -16.754
38 HD21 LEU 4 1HD2 LEU 4 38.633 13.476 -17.504
39 HD22 LEU 4 2HD2 LEU 4 37.812 11.947 -17.188
40 HD23 LEU 4 3HD2 LEU 4 38.785 12.140 -18.647
41 H GLU 5 H GLU 5 41.223 13.887 -13.051
42 HA GLU 5 HA GLU 5 39.428 13.161 -10.879
43 HB2 GLU 5 1HB GLU 5 42.328 14.008 -10.881
44 HB3 GLU 5 2HB GLU 5 41.432 13.482 -9.455
45 HG2 GLU 5 1HG GLU 5 40.938 11.327 -10.598
46 HG3 GLU 5 2HG GLU 5 41.919 11.848 -11.960
47 H GLY 6 H GLY 6 40.364 16.098 -12.413
48 HA2 GLY 6 1HA GLY 6 39.727 17.727 -10.073
49 HA3 GLY 6 2HA GLY 6 40.314 18.312 -11.620
50 H GLU 7 H GLU 7 37.715 16.142 -12.065
51 HA GLU 7 HA GLU 7 35.969 18.358 -12.801
52 HB2 GLU 7 1HB GLU 7 35.640 15.362 -13.109
53 HB3 GLU 7 2HB GLU 7 34.535 16.577 -13.753
54 HG2 GLU 7 1HG GLU 7 36.420 17.558 -15.052
55 HG3 GLU 7 2HG GLU 7 37.465 16.272 -14.466
56 H ILE 8 H ILE 8 33.755 18.480 -12.059
57 HA ILE 8 HA ILE 8 33.671 18.131 -9.206
58 HB ILE 8 HB ILE 8 31.620 19.223 -11.153
59 HG12 ILE 8 1HG1 ILE 8 33.509 20.692 -9.295
60 HG13 ILE 8 2HG1 ILE 8 33.842 20.414 -11.005
61 HG21 ILE 8 1HG2 ILE 8 30.514 20.197 -9.234
62 HG22 ILE 8 2HG2 ILE 8 31.769 19.597 -8.150
63 HG23 ILE 8 3HG2 ILE 8 30.675 18.464 -8.945
64 HD11 ILE 8 1HD1 ILE 8 31.496 21.946 -9.847
65 HD12 ILE 8 2HD1 ILE 8 31.687 21.565 -11.558
66 HD13 ILE 8 3HD1 ILE 8 32.849 22.620 -10.755
67 HA PRO 9 HA PRO 9 31.423 14.228 -9.393
68 HB2 PRO 9 1HB PRO 9 30.106 14.291 -6.974
69 HB3 PRO 9 2HB PRO 9 31.810 13.841 -7.168
70 HG2 PRO 9 1HG PRO 9 30.625 16.432 -6.316
71 HG3 PRO 9 2HG PRO 9 32.058 15.585 -5.702
72 HD2 PRO 9 1HD PRO 9 32.273 17.686 -7.387
73 HD3 PRO 9 2HD PRO 9 33.419 16.330 -7.426
74 H PHE 10 H PHE 10 29.394 13.464 -9.949
75 HA PHE 10 HA PHE 10 27.464 15.188 -10.964
76 HB2 PHE 10 1HB PHE 10 27.862 12.564 -11.161
77 HB3 PHE 10 2HB PHE 10 26.598 12.525 -9.948
78 HD1 PHE 10 HD1 PHE 10 27.276 14.445 -13.109
79 HD2 PHE 10 HD2 PHE 10 24.483 12.132 -10.807
80 HE1 PHE 10 HE1 PHE 10 25.576 14.723 -14.893
81 HE2 PHE 10 HE2 PHE 10 22.783 12.408 -12.592
82 HZ PHE 10 HZ PHE 10 23.330 13.703 -14.635
83 HA PRO 11 HA PRO 11 25.504 16.996 -7.583
84 HB2 PRO 11 1HB PRO 11 22.799 16.362 -8.630
85 HB3 PRO 11 2HB PRO 11 23.531 17.926 -8.234
86 HG2 PRO 11 1HG PRO 11 23.180 17.120 -10.751
87 HG3 PRO 11 2HG PRO 11 24.567 18.108 -10.260
88 HD2 PRO 11 1HD PRO 11 24.472 15.200 -10.924
89 HD3 PRO 11 2HD PRO 11 25.778 16.383 -11.166
90 HA PRO 12 HA PRO 12 22.635 13.478 -5.710
91 HB2 PRO 12 1HB PRO 12 24.128 11.136 -6.795
92 HB3 PRO 12 2HB PRO 12 22.395 11.311 -6.452
93 HG2 PRO 12 1HG PRO 12 23.320 11.343 -8.941
94 HG3 PRO 12 2HG PRO 12 21.968 12.375 -8.439
95 HD2 PRO 12 1HD PRO 12 24.809 13.131 -8.974
96 HD3 PRO 12 2HD PRO 12 23.321 14.065 -9.243
97 H THR 13 H THR 13 23.258 13.162 -3.632
98 HA THR 13 HA THR 13 25.917 13.387 -2.745
99 HB THR 13 HB THR 13 23.611 12.100 -1.277
100 HG1 THR 13 HG1 THR 13 22.938 14.089 -1.895
101 HG21 THR 13 1HG2 THR 13 26.123 13.517 -0.339
102 HG22 THR 13 2HG2 THR 13 25.792 11.791 -0.199
103 HG23 THR 13 3HG2 THR 13 24.825 12.951 0.713
104 H SER 14 H SER 14 24.192 10.577 -3.910
105 HA SER 14 HA SER 14 25.257 8.666 -2.132
106 HB2 SER 14 1HB SER 14 24.344 8.237 -4.983
107 HB3 SER 14 2HB SER 14 24.500 7.003 -3.737
108 HG SER 14 HG SER 14 22.345 7.897 -4.030
109 H ILE 15 H ILE 15 26.424 9.825 -5.291
110 HA ILE 15 HA ILE 15 28.512 7.935 -5.533
111 HB ILE 15 HB ILE 15 29.519 9.443 -7.152
112 HG12 ILE 15 1HG1 ILE 15 27.429 11.454 -6.279
113 HG13 ILE 15 2HG1 ILE 15 29.132 11.545 -5.836
114 HG21 ILE 15 1HG2 ILE 15 26.520 9.658 -7.447
115 HG22 ILE 15 2HG2 ILE 15 27.365 8.119 -7.610
116 HG23 ILE 15 3HG2 ILE 15 27.728 9.445 -8.713
117 HD11 ILE 15 1HD1 ILE 15 29.737 11.606 -8.239
118 HD12 ILE 15 2HD1 ILE 15 28.703 12.957 -7.782
119 HD13 ILE 15 3HD1 ILE 15 28.023 11.586 -8.655
120 H LEU 16 H LEU 16 28.329 10.984 -3.750
121 HA LEU 16 HA LEU 16 31.057 11.201 -3.081
122 HB2 LEU 16 1HB LEU 16 29.334 12.947 -2.630
123 HB3 LEU 16 2HB LEU 16 28.697 11.932 -1.335
124 HG LEU 16 HG LEU 16 31.019 11.936 -0.323
125 HD11 LEU 16 1HD1 LEU 16 32.427 12.550 -2.121
126 HD12 LEU 16 2HD1 LEU 16 32.376 13.995 -1.111
127 HD13 LEU 16 3HD1 LEU 16 31.398 13.908 -2.575
128 HD21 LEU 16 1HD2 LEU 16 30.805 14.455 0.338
129 HD22 LEU 16 2HD2 LEU 16 29.492 13.357 0.763
130 HD23 LEU 16 3HD2 LEU 16 29.337 14.416 -0.638
131 H LEU 17 H LEU 17 28.441 9.279 -1.643
132 HA LEU 17 HA LEU 17 29.893 8.266 0.550
133 HB2 LEU 17 1HB LEU 17 27.449 7.932 0.190
134 HB3 LEU 17 2HB LEU 17 27.829 6.775 -1.086
135 HG LEU 17 HG LEU 17 29.191 5.488 0.613
136 HD11 LEU 17 1HD1 LEU 17 29.651 6.998 2.344
137 HD12 LEU 17 2HD1 LEU 17 28.342 6.037 3.030
138 HD13 LEU 17 3HD1 LEU 17 28.006 7.633 2.358
139 HD21 LEU 17 1HD2 LEU 17 27.078 4.556 0.125
140 HD22 LEU 17 2HD2 LEU 17 26.215 5.901 0.872
141 HD23 LEU 17 3HD2 LEU 17 27.052 4.722 1.881
142 H LEU 18 H LEU 18 29.793 7.240 -2.844
143 HA LEU 18 HA LEU 18 31.346 4.901 -2.555
144 HB2 LEU 18 1HB LEU 18 31.298 6.774 -4.931
145 HB3 LEU 18 2HB LEU 18 31.832 5.096 -4.932
146 HG LEU 18 HG LEU 18 29.035 6.002 -4.199
147 HD11 LEU 18 1HD1 LEU 18 30.041 4.636 -6.714
148 HD12 LEU 18 2HD1 LEU 18 29.596 6.340 -6.605
149 HD13 LEU 18 3HD1 LEU 18 28.373 5.092 -6.368
150 HD21 LEU 18 1HD2 LEU 18 29.436 3.940 -3.104
151 HD22 LEU 18 2HD2 LEU 18 30.406 3.321 -4.441
152 HD23 LEU 18 3HD2 LEU 18 28.656 3.471 -4.614
153 H LEU 19 H LEU 19 32.314 8.291 -2.954
154 HA LEU 19 HA LEU 19 35.091 7.831 -3.119
155 HB2 LEU 19 1HB LEU 19 33.446 10.163 -2.196
156 HB3 LEU 19 2HB LEU 19 35.179 10.169 -1.921
157 HG LEU 19 HG LEU 19 34.513 11.317 -4.025
158 HD11 LEU 19 1HD1 LEU 19 36.722 10.034 -3.649
159 HD12 LEU 19 2HD1 LEU 19 36.298 10.483 -5.302
160 HD13 LEU 19 3HD1 LEU 19 36.045 8.829 -4.744
161 HD21 LEU 19 1HD2 LEU 19 33.735 9.995 -5.939
162 HD22 LEU 19 2HD2 LEU 19 32.586 9.876 -4.606
163 HD23 LEU 19 3HD2 LEU 19 33.692 8.542 -4.939
164 H ALA 20 H ALA 20 32.939 7.951 -0.325
165 HA ALA 20 HA ALA 20 34.905 7.911 1.690
166 HB1 ALA 20 1HB ALA 20 32.335 8.122 1.902
167 HB2 ALA 20 2HB ALA 20 33.200 7.241 3.161
168 HB3 ALA 20 3HB ALA 20 32.335 6.358 1.903
169 H CYS 21 H CYS 21 33.419 5.275 -0.161
170 HA CYS 21 HA CYS 21 34.732 3.133 1.116
171 HB2 CYS 21 1HB CYS 21 33.900 3.399 -1.784
172 HB3 CYS 21 2HB CYS 21 34.342 1.889 -0.987
173 HG CYS 21 HG CYS 21 32.270 2.362 0.677
174 H ILE 22 H ILE 22 35.759 5.242 -1.552
175 HA ILE 22 HA ILE 22 38.187 3.947 -2.144
176 HB ILE 22 HB ILE 22 37.628 6.919 -2.255
177 HG12 ILE 22 1HG1 ILE 22 35.902 5.695 -3.477
178 HG13 ILE 22 2HG1 ILE 22 36.986 6.490 -4.611
179 HG21 ILE 22 1HG2 ILE 22 39.589 5.176 -3.774
180 HG22 ILE 22 2HG2 ILE 22 40.002 6.337 -2.512
181 HG23 ILE 22 3HG2 ILE 22 39.330 6.900 -4.042
182 HD11 ILE 22 1HD1 ILE 22 37.178 4.482 -5.624
183 HD12 ILE 22 2HD1 ILE 22 36.411 3.649 -4.276
184 HD13 ILE 22 3HD1 ILE 22 38.144 3.963 -4.244
185 H PHE 23 H PHE 23 37.364 6.289 0.395
186 HA PHE 23 HA PHE 23 39.979 6.756 1.335
187 HB2 PHE 23 1HB PHE 23 37.935 7.980 2.081
188 HB3 PHE 23 2HB PHE 23 37.475 6.566 3.009
189 HD1 PHE 23 HD1 PHE 23 39.925 9.315 2.695
190 HD2 PHE 23 HD2 PHE 23 38.550 6.034 5.102
191 HE1 PHE 23 HE1 PHE 23 41.298 10.131 4.592
192 HE2 PHE 23 HE2 PHE 23 39.923 6.850 6.999
193 HZ PHE 23 HZ PHE 23 41.298 8.899 6.744
194 H LEU 24 H LEU 24 37.707 4.113 2.008
195 HA LEU 24 HA LEU 24 39.254 2.797 3.966
196 HB2 LEU 24 1HB LEU 24 37.500 1.509 1.860
197 HB3 LEU 24 2HB LEU 24 38.031 0.774 3.371
198 HG LEU 24 HG LEU 24 36.347 3.290 3.184
199 HD11 LEU 24 1HD1 LEU 24 35.647 0.392 3.703
200 HD12 LEU 24 2HD1 LEU 24 34.976 1.463 2.473
201 HD13 LEU 24 3HD1 LEU 24 34.590 1.722 4.174
202 HD21 LEU 24 1HD2 LEU 24 37.419 1.619 5.462
203 HD22 LEU 24 2HD2 LEU 24 35.993 2.638 5.664
204 HD23 LEU 24 3HD2 LEU 24 37.541 3.363 5.231
205 H ILE 25 H ILE 25 39.428 2.711 0.423
206 HA ILE 25 HA ILE 25 41.405 0.708 0.217
207 HB ILE 25 HB ILE 25 41.093 3.117 -1.593
208 HG12 ILE 25 1HG1 ILE 25 39.859 0.355 -1.829
209 HG13 ILE 25 2HG1 ILE 25 38.987 1.771 -1.240
210 HG21 ILE 25 1HG2 ILE 25 43.196 1.826 -1.874
211 HG22 ILE 25 2HG2 ILE 25 42.128 1.660 -3.268
212 HG23 ILE 25 3HG2 ILE 25 42.244 0.356 -2.086
213 HD11 ILE 25 1HD1 ILE 25 40.059 1.234 -4.000
214 HD12 ILE 25 2HD1 ILE 25 39.785 2.889 -3.457
215 HD13 ILE 25 3HD1 ILE 25 38.441 1.749 -3.523
216 H LYS 26 H LYS 26 41.677 4.183 0.883
217 HA LYS 26 HA LYS 26 44.484 4.366 0.771
218 HB2 LYS 26 1HB LYS 26 42.940 6.314 1.020
219 HB3 LYS 26 2HB LYS 26 42.685 5.843 2.700
220 HG2 LYS 26 1HG LYS 26 45.131 6.018 3.100
221 HG3 LYS 26 2HG LYS 26 45.340 6.581 1.442
222 HD2 LYS 26 1HD LYS 26 43.764 8.466 1.942
223 HD3 LYS 26 2HD LYS 26 43.746 7.945 3.628
224 HE2 LYS 26 1HE LYS 26 46.352 8.493 2.220
225 HE3 LYS 26 2HE LYS 26 45.425 9.807 2.944
226 HZ1 LYS 26 1HZ LYS 26 45.423 7.905 4.872
227 HZ2 LYS 26 2HZ LYS 26 46.460 9.249 4.818
228 HZ3 LYS 26 3HZ LYS 26 46.976 7.748 4.210
229 H ILE 27 H ILE 27 42.344 3.214 3.350
230 HA ILE 27 HA ILE 27 44.314 2.855 5.340
231 HB ILE 27 HB ILE 27 41.949 1.035 4.846
232 HG12 ILE 27 1HG1 ILE 27 41.185 3.368 4.931
233 HG13 ILE 27 2HG1 ILE 27 40.719 2.518 6.399
234 HG21 ILE 27 1HG2 ILE 27 43.349 0.062 6.481
235 HG22 ILE 27 2HG2 ILE 27 42.113 0.916 7.405
236 HG23 ILE 27 3HG2 ILE 27 43.717 1.623 7.215
237 HD11 ILE 27 1HD1 ILE 27 42.682 3.498 7.571
238 HD12 ILE 27 2HD1 ILE 27 41.594 4.740 6.952
239 HD13 ILE 27 3HD1 ILE 27 43.095 4.382 6.101
240 H LEU 28 H LEU 28 43.371 0.797 2.611
241 HA LEU 28 HA LEU 28 45.057 -1.387 3.187
242 HB2 LEU 28 1HB LEU 28 43.326 -1.311 1.359
243 HB3 LEU 28 2HB LEU 28 44.462 -0.349 0.412
244 HG LEU 28 HG LEU 28 46.159 -2.205 0.775
245 HD11 LEU 28 1HD1 LEU 28 45.253 -3.403 2.618
246 HD12 LEU 28 2HD1 LEU 28 45.000 -4.457 1.227
247 HD13 LEU 28 3HD1 LEU 28 43.660 -3.506 1.867
248 HD21 LEU 28 1HD2 LEU 28 44.959 -3.739 -0.902
249 HD22 LEU 28 2HD2 LEU 28 45.151 -2.053 -1.379
250 HD23 LEU 28 3HD2 LEU 28 43.597 -2.626 -0.775
251 H ALA 29 H ALA 29 45.754 1.717 1.648
252 HA ALA 29 HA ALA 29 48.438 1.209 0.950
253 HB1 ALA 29 1HB ALA 29 48.634 3.488 0.605
254 HB2 ALA 29 2HB ALA 29 47.622 3.892 1.992
255 HB3 ALA 29 3HB ALA 29 46.884 3.287 0.509
256 H ALA 30 H ALA 30 46.979 2.213 4.014
257 HA ALA 30 HA ALA 30 49.343 2.820 5.404
258 HB1 ALA 30 1HB ALA 30 46.861 1.558 6.586
259 HB2 ALA 30 2HB ALA 30 47.009 3.274 6.206
260 HB3 ALA 30 3HB ALA 30 48.057 2.547 7.424
261 H SER 31 H SER 31 47.676 -0.272 4.914
262 HA SER 31 HA SER 31 49.374 -1.862 6.507
263 HB2 SER 31 1HB SER 31 48.502 -3.739 5.369
264 HB3 SER 31 2HB SER 31 47.202 -2.553 5.340
265 HG SER 31 HG SER 31 47.770 -3.644 3.291
266 H ALA 32 H ALA 32 49.775 -0.612 3.219
267 HA ALA 32 HA ALA 32 52.040 -2.141 2.507
268 HB1 ALA 32 1HB ALA 32 51.759 0.717 1.649
269 HB2 ALA 32 2HB ALA 32 50.580 -0.475 1.101
270 HB3 ALA 32 3HB ALA 32 52.289 -0.681 0.716
271 H LEU 33 H LEU 33 51.726 0.945 4.249
272 HA LEU 33 HA LEU 33 54.471 1.503 4.508
273 HB2 LEU 33 1HB LEU 33 52.261 2.102 6.487
274 HB3 LEU 33 2HB LEU 33 53.837 2.888 6.425
275 HG LEU 33 HG LEU 33 51.800 2.923 4.177
276 HD11 LEU 33 1HD1 LEU 33 51.339 5.197 4.819
277 HD12 LEU 33 2HD1 LEU 33 52.629 5.179 6.021
278 HD13 LEU 33 3HD1 LEU 33 51.178 4.210 6.271
279 HD21 LEU 33 1HD2 LEU 33 53.905 3.223 3.169
280 HD22 LEU 33 2HD2 LEU 33 54.554 4.085 4.564
281 HD23 LEU 33 3HD2 LEU 33 53.394 4.879 3.498
282 H TRP 34 H TRP 34 52.333 -0.572 6.443
283 HA TRP 34 HA TRP 34 54.201 -1.295 8.426
284 HB2 TRP 34 1HB TRP 34 51.759 -1.907 8.373
285 HB3 TRP 34 2HB TRP 34 52.160 -3.140 7.194
286 HD1 TRP 34 HD1 TRP 34 52.496 -2.270 10.878
287 HE1 TRP 34 HE1 TRP 34 53.226 -4.377 12.169
288 HE3 TRP 34 HE3 TRP 34 53.461 -5.412 6.969
289 HZ2 TRP 34 HZ2 TRP 34 54.106 -7.047 11.617
290 HZ3 TRP 34 HZ3 TRP 34 54.241 -7.725 7.378
291 HH2 TRP 34 HH2 TRP 34 54.565 -8.548 9.693
292 H ALA 35 H ALA 35 53.782 -2.468 5.118
293 HA ALA 35 HA ALA 35 55.678 -4.549 5.193
294 HB1 ALA 35 1HB ALA 35 55.535 -4.578 2.885
295 HB2 ALA 35 2HB ALA 35 55.433 -2.822 2.763
296 HB3 ALA 35 3HB ALA 35 54.033 -3.752 3.296
297 H ALA 36 H ALA 36 56.069 -1.067 4.707
298 HA ALA 36 HA ALA 36 58.794 -1.066 4.009
299 HB1 ALA 36 1HB ALA 36 58.751 1.227 4.374
300 HB2 ALA 36 2HB ALA 36 57.660 1.092 5.752
301 HB3 ALA 36 3HB ALA 36 57.041 0.883 4.113
302 H ALA 37 H ALA 37 57.216 -1.046 7.186
303 HA ALA 37 HA ALA 37 59.563 -0.937 8.753
304 HB1 ALA 37 1HB ALA 37 58.213 -1.704 10.572
305 HB2 ALA 37 2HB ALA 37 57.034 -2.422 9.473
306 HB3 ALA 37 3HB ALA 37 57.193 -0.668 9.573
307 H TRP 38 H TRP 38 57.824 -3.676 7.347
308 HA TRP 38 HA TRP 38 59.268 -5.774 8.467
309 HB2 TRP 38 1HB TRP 38 57.204 -5.965 7.072
310 HB3 TRP 38 2HB TRP 38 58.194 -5.686 5.653
311 HD1 TRP 38 HD1 TRP 38 57.305 -8.301 8.238
312 HE1 TRP 38 HE1 TRP 38 58.288 -10.571 7.515
313 HE3 TRP 38 HE3 TRP 38 60.203 -6.796 4.314
314 HZ2 TRP 38 HZ2 TRP 38 60.072 -11.613 5.531
315 HZ3 TRP 38 HZ3 TRP 38 61.531 -8.441 3.027
316 HH2 TRP 38 HH2 TRP 38 61.471 -10.845 3.628
317 H HIS 39 H HIS 39 60.162 -3.687 5.750
318 HA HIS 39 HA HIS 39 62.598 -5.139 5.225
319 HB2 HIS 39 1HB HIS 39 61.799 -2.301 4.542
320 HB3 HIS 39 2HB HIS 39 63.232 -3.114 3.941
321 HD1 HIS 39 HD1 HIS 39 62.642 -5.432 2.540
322 HD2 HIS 39 HD2 HIS 39 59.614 -2.590 2.899
323 HE1 HIS 39 HE1 HIS 39 60.946 -5.963 0.738
324 H GLY 40 H GLY 40 62.144 -1.814 6.463
325 HA2 GLY 40 1HA GLY 40 63.665 -2.597 8.849
326 HA3 GLY 40 2HA GLY 40 64.189 -1.165 7.964
327 H GLN 41 H GLN 41 62.185 -2.237 10.449
328 HA GLN 41 HA GLN 41 60.323 -0.248 10.687
329 HB2 GLN 41 1HB GLN 41 60.530 -0.422 13.094
330 HB3 GLN 41 2HB GLN 41 60.698 -2.020 12.380
331 HG2 GLN 41 1HG GLN 41 63.069 -0.289 13.137
332 HG3 GLN 41 2HG GLN 41 62.354 -1.474 14.219
333 HE21 GLN 41 1HE2 GLN 41 65.005 -1.238 12.446
334 HE22 GLN 41 2HE2 GLN 41 65.131 -2.808 11.812
335 H LYS 42 H LYS 42 60.267 1.890 11.415
336 HA LYS 42 HA LYS 42 62.275 3.545 10.448
337 HB2 LYS 42 1HB LYS 42 61.134 5.373 11.645
338 HB3 LYS 42 2HB LYS 42 59.991 4.331 10.800
339 HG2 LYS 42 1HG LYS 42 59.888 3.046 13.088
340 HG3 LYS 42 2HG LYS 42 60.523 4.553 13.749
341 HD2 LYS 42 1HD LYS 42 58.623 5.694 12.396
342 HD3 LYS 42 2HD LYS 42 57.912 4.081 12.322
343 HE2 LYS 42 1HE LYS 42 57.028 5.302 14.257
344 HE3 LYS 42 2HE LYS 42 58.008 3.939 14.793
345 HZ1 LYS 42 1HZ LYS 42 59.228 6.595 14.433
346 HZ2 LYS 42 2HZ LYS 42 59.732 5.310 15.424
347 HZ3 LYS 42 3HZ LYS 42 58.376 6.238 15.856
348 HA PRO 43 HA PRO 43 65.500 3.376 13.446
349 HB2 PRO 43 1HB PRO 43 65.752 6.338 13.352
350 HB3 PRO 43 2HB PRO 43 66.964 5.086 13.019
351 HG2 PRO 43 1HG PRO 43 65.844 6.515 11.071
352 HG3 PRO 43 2HG PRO 43 66.289 4.812 10.854
353 HD2 PRO 43 1HD PRO 43 63.579 6.011 11.238
354 HD3 PRO 43 2HD PRO 43 64.070 4.595 10.282
355 H GLY 44 H GLY 44 65.787 3.501 15.637
356 HA2 GLY 44 1HA GLY 44 65.501 4.139 17.835
357 HA3 GLY 44 2HA GLY 44 64.638 5.562 17.264
358 H THR 45 H THR 45 63.523 4.731 19.385
359 HA THR 45 HA THR 45 61.795 2.533 19.381
360 HB THR 45 HB THR 45 60.573 3.717 21.151
361 HG1 THR 45 HG1 THR 45 60.452 5.778 20.622
362 HG21 THR 45 1HG2 THR 45 63.482 4.409 21.502
363 HG22 THR 45 2HG2 THR 45 62.961 2.727 21.426
364 HG23 THR 45 3HG2 THR 45 62.344 3.784 22.696
365 H HIS 46 H HIS 46 59.643 2.260 18.828
366 HA HIS 46 HA HIS 46 58.650 4.120 16.784
367 HB2 HIS 46 1HB HIS 46 57.121 2.332 16.171
368 HB3 HIS 46 2HB HIS 46 58.771 1.741 16.206
369 HD1 HIS 46 HD1 HIS 46 59.420 0.356 18.460
370 HD2 HIS 46 HD2 HIS 46 55.351 0.885 17.723
371 HE1 HIS 46 HE1 HIS 46 58.207 -1.344 19.890
Start of MODEL 12
1 H ARG 1 3H ARG 1 19.467 18.700 18.074
2 HA ARG 1 HA ARG 1 17.715 18.406 19.732
3 HB2 ARG 1 1HB ARG 1 18.788 19.904 21.425
4 HB3 ARG 1 2HB ARG 1 18.349 21.289 20.425
5 HG2 ARG 1 1HG ARG 1 15.959 20.623 20.591
6 HG3 ARG 1 2HG ARG 1 16.423 19.299 21.661
7 HD2 ARG 1 1HD ARG 1 17.438 20.972 23.216
8 HD3 ARG 1 2HD ARG 1 16.828 22.256 22.177
9 HE ARG 1 HE ARG 1 14.658 21.804 22.929
10 HH11 ARG 1 1HH1 ARG 1 16.873 19.397 24.205
11 HH12 ARG 1 2HH1 ARG 1 15.722 18.807 25.357
12 HH21 ARG 1 1HH2 ARG 1 13.220 20.998 24.431
13 HH22 ARG 1 2HH2 ARG 1 13.682 19.701 25.482
14 H SER 2 H SER 2 18.551 21.383 17.973
15 HA SER 2 HA SER 2 15.983 22.133 17.170
16 HB2 SER 2 1HB SER 2 18.552 22.472 15.605
17 HB3 SER 2 2HB SER 2 17.075 23.410 15.408
18 HG SER 2 HG SER 2 19.039 23.525 17.353
19 H LEU 3 H LEU 3 14.720 21.688 15.391
20 HA LEU 3 HA LEU 3 14.714 19.101 14.337
21 HB2 LEU 3 1HB LEU 3 13.371 21.669 13.577
22 HB3 LEU 3 2HB LEU 3 13.241 20.288 12.498
23 HG LEU 3 HG LEU 3 11.342 20.463 14.092
24 HD11 LEU 3 1HD1 LEU 3 12.921 18.011 14.821
25 HD12 LEU 3 2HD1 LEU 3 12.349 18.257 13.171
26 HD13 LEU 3 3HD1 LEU 3 11.194 18.165 14.500
27 HD21 LEU 3 1HD2 LEU 3 13.238 19.640 16.287
28 HD22 LEU 3 2HD2 LEU 3 11.582 20.233 16.424
29 HD23 LEU 3 3HD2 LEU 3 12.882 21.340 15.982
30 H LEU 4 H LEU 4 16.520 21.890 13.280
31 HA LEU 4 HA LEU 4 16.888 21.266 10.569
32 HB2 LEU 4 1HB LEU 4 18.465 22.810 12.596
33 HB3 LEU 4 2HB LEU 4 19.182 22.481 11.026
34 HG LEU 4 HG LEU 4 18.035 24.681 11.131
35 HD11 LEU 4 1HD1 LEU 4 18.166 23.079 9.053
36 HD12 LEU 4 2HD1 LEU 4 17.198 24.551 8.976
37 HD13 LEU 4 3HD1 LEU 4 16.416 22.996 9.259
38 HD21 LEU 4 1HD2 LEU 4 16.172 23.719 12.674
39 HD22 LEU 4 2HD2 LEU 4 15.402 23.222 11.166
40 HD23 LEU 4 3HD2 LEU 4 15.727 24.929 11.469
41 H GLU 5 H GLU 5 18.260 19.793 13.408
42 HA GLU 5 HA GLU 5 20.474 18.587 11.954
43 HB2 GLU 5 1HB GLU 5 19.547 18.283 14.813
44 HB3 GLU 5 2HB GLU 5 21.003 17.547 14.143
45 HG2 GLU 5 1HG GLU 5 21.823 19.811 13.515
46 HG3 GLU 5 2HG GLU 5 20.403 20.514 14.274
47 H GLY 6 H GLY 6 17.210 17.721 12.569
48 HA2 GLY 6 1HA GLY 6 17.750 14.853 12.487
49 HA3 GLY 6 2HA GLY 6 16.194 15.610 12.773
50 H GLU 7 H GLU 7 17.673 17.013 10.034
51 HA GLU 7 HA GLU 7 15.744 15.642 8.328
52 HB2 GLU 7 1HB GLU 7 16.042 18.126 8.264
53 HB3 GLU 7 2HB GLU 7 17.669 17.872 7.631
54 HG2 GLU 7 1HG GLU 7 16.694 16.592 5.731
55 HG3 GLU 7 2HG GLU 7 15.084 16.948 6.342
56 H ILE 8 H ILE 8 16.267 14.459 6.497
57 HA ILE 8 HA ILE 8 18.764 13.047 6.636
58 HB ILE 8 HB ILE 8 16.539 12.831 4.597
59 HG12 ILE 8 1HG1 ILE 8 17.105 11.115 7.033
60 HG13 ILE 8 2HG1 ILE 8 15.879 12.382 6.987
61 HG21 ILE 8 1HG2 ILE 8 18.708 11.892 3.843
62 HG22 ILE 8 2HG2 ILE 8 17.514 10.626 4.122
63 HG23 ILE 8 3HG2 ILE 8 18.784 10.918 5.311
64 HD11 ILE 8 1HD1 ILE 8 14.831 10.230 6.506
65 HD12 ILE 8 2HD1 ILE 8 15.987 9.929 5.208
66 HD13 ILE 8 3HD1 ILE 8 14.807 11.231 5.055
67 HA PRO 9 HA PRO 9 20.795 15.629 3.514
68 HB2 PRO 9 1HB PRO 9 22.449 13.320 2.727
69 HB3 PRO 9 2HB PRO 9 22.938 14.863 3.449
70 HG2 PRO 9 1HG PRO 9 23.008 12.523 4.778
71 HG3 PRO 9 2HG PRO 9 22.746 14.087 5.569
72 HD2 PRO 9 1HD PRO 9 20.751 11.952 4.917
73 HD3 PRO 9 2HD PRO 9 20.826 13.048 6.317
74 H PHE 10 H PHE 10 20.648 15.932 1.267
75 HA PHE 10 HA PHE 10 18.529 14.701 -0.045
76 HB2 PHE 10 1HB PHE 10 20.893 16.079 -1.322
77 HB3 PHE 10 2HB PHE 10 19.329 15.804 -2.068
78 HD1 PHE 10 HD1 PHE 10 21.214 17.782 0.391
79 HD2 PHE 10 HD2 PHE 10 17.376 17.129 -1.425
80 HE1 PHE 10 HE1 PHE 10 20.414 19.944 1.304
81 HE2 PHE 10 HE2 PHE 10 16.577 19.292 -0.512
82 HZ PHE 10 HZ PHE 10 18.096 20.699 0.853
83 HA PRO 11 HA PRO 11 20.112 10.801 -1.304
84 HB2 PRO 11 1HB PRO 11 18.987 10.523 -3.857
85 HB3 PRO 11 2HB PRO 11 18.252 10.070 -2.312
86 HG2 PRO 11 1HG PRO 11 17.776 12.433 -4.000
87 HG3 PRO 11 2HG PRO 11 16.689 11.585 -2.891
88 HD2 PRO 11 1HD PRO 11 17.851 14.002 -2.310
89 HD3 PRO 11 2HD PRO 11 17.332 12.833 -1.078
90 HA PRO 12 HA PRO 12 22.634 11.995 -5.357
91 HB2 PRO 12 1HB PRO 12 23.206 14.809 -4.550
92 HB3 PRO 12 2HB PRO 12 23.029 14.111 -6.172
93 HG2 PRO 12 1HG PRO 12 21.110 15.592 -5.100
94 HG3 PRO 12 2HG PRO 12 20.736 14.177 -6.103
95 HD2 PRO 12 1HD PRO 12 20.555 14.476 -3.138
96 HD3 PRO 12 2HD PRO 12 19.549 13.515 -4.241
97 H THR 13 H THR 13 22.976 13.127 -2.062
98 HA THR 13 HA THR 13 25.757 13.360 -1.874
99 HB THR 13 HB THR 13 25.454 13.011 0.531
100 HG1 THR 13 HG1 THR 13 23.995 11.578 0.977
101 HG21 THR 13 1HG2 THR 13 23.264 14.606 -0.824
102 HG22 THR 13 2HG2 THR 13 24.856 15.193 -0.341
103 HG23 THR 13 3HG2 THR 13 23.673 14.740 0.887
104 H SER 14 H SER 14 23.846 10.470 -2.224
105 HA SER 14 HA SER 14 25.406 8.648 -0.758
106 HB2 SER 14 1HB SER 14 23.160 8.156 -1.719
107 HB3 SER 14 2HB SER 14 23.889 8.115 -3.321
108 HG SER 14 HG SER 14 23.903 6.038 -2.587
109 H ILE 15 H ILE 15 25.813 9.947 -4.043
110 HA ILE 15 HA ILE 15 27.823 8.141 -4.875
111 HB ILE 15 HB ILE 15 28.446 9.800 -6.531
112 HG12 ILE 15 1HG1 ILE 15 26.809 11.998 -6.256
113 HG13 ILE 15 2HG1 ILE 15 27.184 11.662 -4.572
114 HG21 ILE 15 1HG2 ILE 15 26.370 8.483 -6.814
115 HG22 ILE 15 2HG2 ILE 15 26.265 10.060 -7.595
116 HG23 ILE 15 3HG2 ILE 15 25.455 9.785 -6.054
117 HD11 ILE 15 1HD1 ILE 15 28.817 13.220 -5.516
118 HD12 ILE 15 2HD1 ILE 15 29.202 12.071 -6.795
119 HD13 ILE 15 3HD1 ILE 15 29.604 11.693 -5.121
120 H LEU 16 H LEU 16 27.995 11.084 -2.904
121 HA LEU 16 HA LEU 16 30.805 11.303 -2.803
122 HB2 LEU 16 1HB LEU 16 28.789 11.977 -0.646
123 HB3 LEU 16 2HB LEU 16 30.449 12.566 -0.733
124 HG LEU 16 HG LEU 16 28.342 13.051 -2.858
125 HD11 LEU 16 1HD1 LEU 16 28.413 15.397 -1.997
126 HD12 LEU 16 2HD1 LEU 16 29.430 14.844 -0.667
127 HD13 LEU 16 3HD1 LEU 16 27.774 14.256 -0.814
128 HD21 LEU 16 1HD2 LEU 16 31.217 13.901 -2.479
129 HD22 LEU 16 2HD2 LEU 16 30.110 14.847 -3.474
130 HD23 LEU 16 3HD2 LEU 16 30.467 13.173 -3.900
131 H LEU 17 H LEU 17 28.530 9.348 -0.895
132 HA LEU 17 HA LEU 17 30.424 8.331 0.931
133 HB2 LEU 17 1HB LEU 17 27.814 7.260 -0.094
134 HB3 LEU 17 2HB LEU 17 28.832 6.282 0.960
135 HG LEU 17 HG LEU 17 28.892 8.252 2.555
136 HD11 LEU 17 1HD1 LEU 17 26.737 9.725 2.160
137 HD12 LEU 17 2HD1 LEU 17 26.984 9.268 0.475
138 HD13 LEU 17 3HD1 LEU 17 28.247 10.134 1.348
139 HD21 LEU 17 1HD2 LEU 17 26.165 7.074 1.934
140 HD22 LEU 17 2HD2 LEU 17 26.672 7.752 3.481
141 HD23 LEU 17 3HD2 LEU 17 27.421 6.274 2.877
142 H LEU 18 H LEU 18 29.614 7.320 -2.364
143 HA LEU 18 HA LEU 18 31.163 4.964 -2.418
144 HB2 LEU 18 1HB LEU 18 30.700 6.907 -4.693
145 HB3 LEU 18 2HB LEU 18 31.208 5.227 -4.844
146 HG LEU 18 HG LEU 18 28.603 6.126 -3.580
147 HD11 LEU 18 1HD1 LEU 18 27.525 5.369 -5.602
148 HD12 LEU 18 2HD1 LEU 18 29.049 4.763 -6.249
149 HD13 LEU 18 3HD1 LEU 18 28.794 6.499 -6.073
150 HD21 LEU 18 1HD2 LEU 18 29.910 3.460 -4.093
151 HD22 LEU 18 2HD2 LEU 18 28.151 3.590 -4.036
152 HD23 LEU 18 3HD2 LEU 18 29.116 4.038 -2.628
153 H LEU 19 H LEU 19 32.075 8.353 -2.948
154 HA LEU 19 HA LEU 19 34.798 7.920 -3.532
155 HB2 LEU 19 1HB LEU 19 33.616 10.129 -3.664
156 HB3 LEU 19 2HB LEU 19 33.694 10.215 -1.903
157 HG LEU 19 HG LEU 19 36.213 9.846 -2.138
158 HD11 LEU 19 1HD1 LEU 19 36.945 10.808 -4.483
159 HD12 LEU 19 2HD1 LEU 19 35.376 10.193 -5.002
160 HD13 LEU 19 3HD1 LEU 19 36.571 9.093 -4.313
161 HD21 LEU 19 1HD2 LEU 19 34.995 12.360 -3.326
162 HD22 LEU 19 2HD2 LEU 19 36.613 12.230 -2.638
163 HD23 LEU 19 3HD2 LEU 19 35.198 12.037 -1.603
164 H ALA 20 H ALA 20 33.077 7.976 -0.450
165 HA ALA 20 HA ALA 20 35.294 7.882 1.275
166 HB1 ALA 20 1HB ALA 20 32.724 8.059 1.767
167 HB2 ALA 20 2HB ALA 20 33.792 7.295 2.946
168 HB3 ALA 20 3HB ALA 20 32.818 6.299 1.863
169 H CYS 21 H CYS 21 33.615 5.306 -0.486
170 HA CYS 21 HA CYS 21 34.964 3.118 0.670
171 HB2 CYS 21 1HB CYS 21 33.905 3.446 -2.149
172 HB3 CYS 21 2HB CYS 21 34.387 1.914 -1.422
173 HG CYS 21 HG CYS 21 32.299 1.880 -0.049
174 H ILE 22 H ILE 22 35.802 5.176 -2.109
175 HA ILE 22 HA ILE 22 38.145 3.785 -2.847
176 HB ILE 22 HB ILE 22 37.539 6.742 -3.123
177 HG12 ILE 22 1HG1 ILE 22 37.203 4.485 -5.118
178 HG13 ILE 22 2HG1 ILE 22 35.887 5.092 -4.117
179 HG21 ILE 22 1HG2 ILE 22 39.464 4.983 -4.682
180 HG22 ILE 22 2HG2 ILE 22 39.954 6.119 -3.425
181 HG23 ILE 22 3HG2 ILE 22 39.204 6.714 -4.906
182 HD11 ILE 22 1HD1 ILE 22 37.523 6.898 -5.915
183 HD12 ILE 22 2HD1 ILE 22 35.984 7.253 -5.131
184 HD13 ILE 22 3HD1 ILE 22 36.051 6.093 -6.456
185 H PHE 23 H PHE 23 37.607 6.302 -0.394
186 HA PHE 23 HA PHE 23 40.314 6.654 0.318
187 HB2 PHE 23 1HB PHE 23 37.766 6.981 1.865
188 HB3 PHE 23 2HB PHE 23 39.324 7.195 2.635
189 HD1 PHE 23 HD1 PHE 23 40.857 9.010 1.865
190 HD2 PHE 23 HD2 PHE 23 36.849 8.618 0.377
191 HE1 PHE 23 HE1 PHE 23 40.942 11.341 1.023
192 HE2 PHE 23 HE2 PHE 23 36.931 10.948 -0.465
193 HZ PHE 23 HZ PHE 23 38.978 12.310 -0.143
194 H LEU 24 H LEU 24 37.977 4.166 1.263
195 HA LEU 24 HA LEU 24 39.542 2.933 3.256
196 HB2 LEU 24 1HB LEU 24 37.710 1.531 1.295
197 HB3 LEU 24 2HB LEU 24 38.244 0.922 2.857
198 HG LEU 24 HG LEU 24 36.606 3.443 2.461
199 HD11 LEU 24 1HD1 LEU 24 35.754 0.764 3.593
200 HD12 LEU 24 2HD1 LEU 24 35.417 1.279 1.940
201 HD13 LEU 24 3HD1 LEU 24 34.729 2.168 3.299
202 HD21 LEU 24 1HD2 LEU 24 36.296 3.142 4.971
203 HD22 LEU 24 2HD2 LEU 24 37.919 3.618 4.470
204 HD23 LEU 24 3HD2 LEU 24 37.586 1.941 4.905
205 H ILE 25 H ILE 25 39.624 2.628 -0.277
206 HA ILE 25 HA ILE 25 41.532 0.551 -0.415
207 HB ILE 25 HB ILE 25 41.252 2.894 -2.318
208 HG12 ILE 25 1HG1 ILE 25 39.953 0.155 -2.427
209 HG13 ILE 25 2HG1 ILE 25 39.125 1.613 -1.878
210 HG21 ILE 25 1HG2 ILE 25 42.348 0.092 -2.711
211 HG22 ILE 25 2HG2 ILE 25 43.320 1.560 -2.608
212 HG23 ILE 25 3HG2 ILE 25 42.211 1.332 -3.959
213 HD11 ILE 25 1HD1 ILE 25 40.248 1.054 -4.630
214 HD12 ILE 25 2HD1 ILE 25 39.760 2.666 -4.108
215 HD13 ILE 25 3HD1 ILE 25 38.569 1.369 -4.193
216 H LYS 26 H LYS 26 41.930 4.055 0.018
217 HA LYS 26 HA LYS 26 44.745 4.121 -0.101
218 HB2 LYS 26 1HB LYS 26 43.279 6.142 -0.006
219 HB3 LYS 26 2HB LYS 26 43.008 5.815 1.706
220 HG2 LYS 26 1HG LYS 26 45.460 5.922 2.093
221 HG3 LYS 26 2HG LYS 26 45.688 6.344 0.395
222 HD2 LYS 26 1HD LYS 26 44.192 8.325 0.744
223 HD3 LYS 26 2HD LYS 26 44.154 7.941 2.465
224 HE2 LYS 26 1HE LYS 26 46.533 8.268 2.669
225 HE3 LYS 26 2HE LYS 26 46.716 8.408 0.920
226 HZ1 LYS 26 1HZ LYS 26 46.005 10.519 0.927
227 HZ2 LYS 26 2HZ LYS 26 46.432 10.490 2.571
228 HZ3 LYS 26 3HZ LYS 26 44.818 10.241 2.107
229 H ILE 27 H ILE 27 42.564 3.246 2.550
230 HA ILE 27 HA ILE 27 44.515 3.040 4.577
231 HB ILE 27 HB ILE 27 42.047 1.313 4.256
232 HG12 ILE 27 1HG1 ILE 27 42.402 3.920 5.766
233 HG13 ILE 27 2HG1 ILE 27 41.630 3.798 4.184
234 HG21 ILE 27 1HG2 ILE 27 42.210 1.015 6.658
235 HG22 ILE 27 2HG2 ILE 27 43.584 2.117 6.741
236 HG23 ILE 27 3HG2 ILE 27 43.753 0.556 5.939
237 HD11 ILE 27 1HD1 ILE 27 40.112 2.013 5.293
238 HD12 ILE 27 2HD1 ILE 27 39.816 3.706 5.689
239 HD13 ILE 27 3HD1 ILE 27 40.692 2.676 6.821
240 H LEU 28 H LEU 28 43.541 0.748 2.052
241 HA LEU 28 HA LEU 28 45.133 -1.424 2.880
242 HB2 LEU 28 1HB LEU 28 44.542 -0.605 0.027
243 HB3 LEU 28 2HB LEU 28 45.046 -2.200 0.577
244 HG LEU 28 HG LEU 28 42.496 -0.806 1.446
245 HD11 LEU 28 1HD1 LEU 28 42.910 -3.129 -0.461
246 HD12 LEU 28 2HD1 LEU 28 42.485 -1.488 -0.946
247 HD13 LEU 28 3HD1 LEU 28 41.357 -2.442 0.018
248 HD21 LEU 28 1HD2 LEU 28 42.032 -3.288 2.133
249 HD22 LEU 28 2HD2 LEU 28 43.050 -2.297 3.177
250 HD23 LEU 28 3HD2 LEU 28 43.786 -3.456 2.069
251 H ALA 29 H ALA 29 45.969 1.474 1.039
252 HA ALA 29 HA ALA 29 48.667 0.842 0.509
253 HB1 ALA 29 1HB ALA 29 47.807 3.627 1.226
254 HB2 ALA 29 2HB ALA 29 47.223 2.871 -0.257
255 HB3 ALA 29 3HB ALA 29 48.954 3.098 -0.005
256 H ALA 30 H ALA 30 47.115 2.188 3.388
257 HA ALA 30 HA ALA 30 49.424 2.857 4.835
258 HB1 ALA 30 1HB ALA 30 46.917 1.713 6.067
259 HB2 ALA 30 2HB ALA 30 47.005 3.360 5.444
260 HB3 ALA 30 3HB ALA 30 48.047 2.864 6.778
261 H SER 31 H SER 31 47.745 -0.239 4.475
262 HA SER 31 HA SER 31 49.276 -1.751 6.289
263 HB2 SER 31 1HB SER 31 48.174 -2.684 3.628
264 HB3 SER 31 2HB SER 31 48.607 -3.698 5.000
265 HG SER 31 HG SER 31 46.292 -2.905 4.639
266 H ALA 32 H ALA 32 49.967 -0.722 2.968
267 HA ALA 32 HA ALA 32 52.279 -2.294 2.557
268 HB1 ALA 32 1HB ALA 32 52.693 -0.949 0.702
269 HB2 ALA 32 2HB ALA 32 52.063 0.501 1.486
270 HB3 ALA 32 3HB ALA 32 50.954 -0.746 0.914
271 H LEU 33 H LEU 33 51.834 0.913 4.039
272 HA LEU 33 HA LEU 33 54.542 1.460 4.576
273 HB2 LEU 33 1HB LEU 33 52.674 3.077 4.894
274 HB3 LEU 33 2HB LEU 33 52.166 2.164 6.315
275 HG LEU 33 HG LEU 33 54.502 2.512 7.244
276 HD11 LEU 33 1HD1 LEU 33 55.670 4.540 6.211
277 HD12 LEU 33 2HD1 LEU 33 54.614 4.315 4.816
278 HD13 LEU 33 3HD1 LEU 33 55.750 3.046 5.277
279 HD21 LEU 33 1HD2 LEU 33 54.043 4.858 7.914
280 HD22 LEU 33 2HD2 LEU 33 52.590 3.863 7.999
281 HD23 LEU 33 3HD2 LEU 33 52.823 4.969 6.646
282 H TRP 34 H TRP 34 52.183 -0.522 6.339
283 HA TRP 34 HA TRP 34 53.775 -1.171 8.565
284 HB2 TRP 34 1HB TRP 34 51.314 -1.795 7.977
285 HB3 TRP 34 2HB TRP 34 52.033 -3.207 7.226
286 HD1 TRP 34 HD1 TRP 34 53.170 -5.006 8.824
287 HE1 TRP 34 HE1 TRP 34 52.919 -5.457 11.349
288 HE3 TRP 34 HE3 TRP 34 50.934 -0.652 10.279
289 HZ2 TRP 34 HZ2 TRP 34 51.898 -4.144 13.682
290 HZ3 TRP 34 HZ3 TRP 34 50.332 -0.279 12.652
291 HH2 TRP 34 HH2 TRP 34 50.811 -2.015 14.354
292 H ALA 35 H ALA 35 53.779 -2.465 5.275
293 HA ALA 35 HA ALA 35 55.669 -4.521 5.644
294 HB1 ALA 35 1HB ALA 35 54.268 -3.772 3.535
295 HB2 ALA 35 2HB ALA 35 55.802 -4.621 3.344
296 HB3 ALA 35 3HB ALA 35 55.735 -2.868 3.157
297 H ALA 36 H ALA 36 56.091 -1.049 5.122
298 HA ALA 36 HA ALA 36 58.888 -1.022 4.830
299 HB1 ALA 36 1HB ALA 36 57.165 0.915 4.621
300 HB2 ALA 36 2HB ALA 36 58.783 1.281 5.221
301 HB3 ALA 36 3HB ALA 36 57.439 1.127 6.351
302 H ALA 37 H ALA 37 56.866 -1.038 7.740
303 HA ALA 37 HA ALA 37 58.951 -0.831 9.634
304 HB1 ALA 37 1HB ALA 37 57.362 -1.356 11.233
305 HB2 ALA 37 2HB ALA 37 56.534 -2.507 10.184
306 HB3 ALA 37 3HB ALA 37 56.343 -0.775 9.916
307 H TRP 38 H TRP 38 57.514 -3.654 8.050
308 HA TRP 38 HA TRP 38 58.889 -5.659 9.415
309 HB2 TRP 38 1HB TRP 38 57.750 -5.502 6.655
310 HB3 TRP 38 2HB TRP 38 58.670 -6.908 7.151
311 HD1 TRP 38 HD1 TRP 38 55.298 -5.345 7.365
312 HE1 TRP 38 HE1 TRP 38 53.747 -6.795 8.823
313 HE3 TRP 38 HE3 TRP 38 58.729 -8.532 9.400
314 HZ2 TRP 38 HZ2 TRP 38 53.936 -9.018 10.621
315 HZ3 TRP 38 HZ3 TRP 38 58.019 -10.302 10.978
316 HH2 TRP 38 HH2 TRP 38 55.632 -10.551 11.592
317 H HIS 39 H HIS 39 60.050 -3.594 6.787
318 HA HIS 39 HA HIS 39 62.591 -4.940 6.618
319 HB2 HIS 39 1HB HIS 39 61.776 -2.125 5.864
320 HB3 HIS 39 2HB HIS 39 63.327 -2.848 5.484
321 HD1 HIS 39 HD1 HIS 39 61.535 -1.861 3.210
322 HD2 HIS 39 HD2 HIS 39 61.436 -5.771 4.655
323 HE1 HIS 39 HE1 HIS 39 60.580 -3.287 1.350
324 H GLY 40 H GLY 40 61.843 -1.657 7.815
325 HA2 GLY 40 1HA GLY 40 62.983 -2.442 10.403
326 HA3 GLY 40 2HA GLY 40 63.582 -0.968 9.643
327 H GLN 41 H GLN 41 61.273 -2.160 11.766
328 HA GLN 41 HA GLN 41 59.225 -0.341 11.657
329 HB2 GLN 41 1HB GLN 41 59.506 -2.102 13.401
330 HB3 GLN 41 2HB GLN 41 60.722 -1.088 14.179
331 HG2 GLN 41 1HG GLN 41 59.073 0.700 14.481
332 HG3 GLN 41 2HG GLN 41 57.855 -0.259 13.648
333 HE21 GLN 41 1HE2 GLN 41 57.178 0.518 16.186
334 HE22 GLN 41 2HE2 GLN 41 57.292 -0.780 17.273
335 H LYS 42 H LYS 42 58.885 1.786 12.275
336 HA LYS 42 HA LYS 42 60.926 3.605 11.782
337 HB2 LYS 42 1HB LYS 42 59.394 5.318 12.694
338 HB3 LYS 42 2HB LYS 42 58.566 4.207 11.604
339 HG2 LYS 42 1HG LYS 42 57.991 2.862 13.751
340 HG3 LYS 42 2HG LYS 42 58.427 4.338 14.613
341 HD2 LYS 42 1HD LYS 42 56.808 5.581 13.121
342 HD3 LYS 42 2HD LYS 42 56.269 4.015 12.513
343 HE2 LYS 42 1HE LYS 42 55.991 3.432 15.057
344 HE3 LYS 42 2HE LYS 42 55.955 5.182 15.262
345 HZ1 LYS 42 1HZ LYS 42 54.065 5.375 13.955
346 HZ2 LYS 42 2HZ LYS 42 53.760 3.971 14.861
347 HZ3 LYS 42 3HZ LYS 42 54.264 3.849 13.244
348 HA PRO 43 HA PRO 43 63.268 3.690 15.591
349 HB2 PRO 43 1HB PRO 43 63.378 6.654 15.326
350 HB3 PRO 43 2HB PRO 43 64.703 5.483 15.475
351 HG2 PRO 43 1HG PRO 43 64.168 6.672 13.165
352 HG3 PRO 43 2HG PRO 43 64.692 4.978 13.235
353 HD2 PRO 43 1HD PRO 43 61.945 6.076 12.761
354 HD3 PRO 43 2HD PRO 43 62.728 4.643 12.054
355 H GLY 44 H GLY 44 62.842 3.970 17.775
356 HA2 GLY 44 1HA GLY 44 60.241 4.548 18.627
357 HA3 GLY 44 2HA GLY 44 61.650 4.469 19.676
358 H THR 45 H THR 45 62.996 6.696 18.203
359 HA THR 45 HA THR 45 62.198 8.816 19.844
360 HB THR 45 HB THR 45 64.405 8.783 18.883
361 HG1 THR 45 HG1 THR 45 63.400 10.818 19.287
362 HG21 THR 45 1HG2 THR 45 62.878 8.674 16.313
363 HG22 THR 45 2HG2 THR 45 64.338 7.809 16.789
364 HG23 THR 45 3HG2 THR 45 64.431 9.508 16.328
365 H HIS 46 H HIS 46 60.888 7.806 16.775
366 HA HIS 46 HA HIS 46 59.432 10.349 16.494
367 HB2 HIS 46 1HB HIS 46 60.645 9.438 14.530
368 HB3 HIS 46 2HB HIS 46 59.630 8.009 14.594
369 HD1 HIS 46 HD1 HIS 46 59.050 11.787 14.441
370 HD2 HIS 46 HD2 HIS 46 57.534 8.251 12.834
371 HE1 HIS 46 HE1 HIS 46 57.211 12.461 12.837
Start of MODEL 13
1 H ARG 1 3H ARG 1 28.946 33.014 12.849
2 HA ARG 1 HA ARG 1 28.278 32.571 10.593
3 HB2 ARG 1 1HB ARG 1 29.787 30.293 11.910
4 HB3 ARG 1 2HB ARG 1 29.778 30.624 10.178
5 HG2 ARG 1 1HG ARG 1 30.715 32.874 10.611
6 HG3 ARG 1 2HG ARG 1 30.757 32.516 12.337
7 HD2 ARG 1 1HD ARG 1 32.960 32.085 11.462
8 HD3 ARG 1 2HD ARG 1 32.213 30.528 11.809
9 HE ARG 1 HE ARG 1 31.587 31.002 9.184
10 HH11 ARG 1 1HH1 ARG 1 34.614 30.876 10.959
11 HH12 ARG 1 2HH1 ARG 1 35.515 30.343 9.580
12 HH21 ARG 1 1HH2 ARG 1 32.800 30.316 7.444
13 HH22 ARG 1 2HH2 ARG 1 34.500 30.031 7.614
14 H SER 2 H SER 2 25.895 31.956 11.959
15 HA SER 2 HA SER 2 25.013 29.312 11.785
16 HB2 SER 2 1HB SER 2 23.389 31.826 11.355
17 HB3 SER 2 2HB SER 2 22.757 30.237 11.771
18 HG SER 2 HG SER 2 23.856 32.146 13.351
19 H LEU 3 H LEU 3 25.502 31.646 9.225
20 HA LEU 3 HA LEU 3 23.740 30.663 7.292
21 HB2 LEU 3 1HB LEU 3 26.339 32.148 7.189
22 HB3 LEU 3 2HB LEU 3 25.650 31.536 5.693
23 HG LEU 3 HG LEU 3 25.009 33.889 6.171
24 HD11 LEU 3 1HD1 LEU 3 22.792 33.660 5.452
25 HD12 LEU 3 2HD1 LEU 3 22.536 32.194 6.398
26 HD13 LEU 3 3HD1 LEU 3 23.538 32.142 4.949
27 HD21 LEU 3 1HD2 LEU 3 23.528 34.452 7.985
28 HD22 LEU 3 2HD2 LEU 3 24.910 33.603 8.679
29 HD23 LEU 3 3HD2 LEU 3 23.378 32.760 8.459
30 H LEU 4 H LEU 4 26.731 29.272 8.435
31 HA LEU 4 HA LEU 4 27.478 27.748 6.203
32 HB2 LEU 4 1HB LEU 4 28.843 28.076 8.258
33 HB3 LEU 4 2HB LEU 4 27.760 26.977 9.112
34 HG LEU 4 HG LEU 4 28.280 25.244 7.338
35 HD11 LEU 4 1HD1 LEU 4 29.114 26.504 5.523
36 HD12 LEU 4 2HD1 LEU 4 30.556 25.744 6.199
37 HD13 LEU 4 3HD1 LEU 4 30.200 27.435 6.555
38 HD21 LEU 4 1HD2 LEU 4 30.543 26.344 9.034
39 HD22 LEU 4 2HD2 LEU 4 30.550 24.749 8.281
40 HD23 LEU 4 3HD2 LEU 4 29.357 25.133 9.521
41 H GLU 5 H GLU 5 24.904 27.252 8.511
42 HA GLU 5 HA GLU 5 24.504 24.471 7.764
43 HB2 GLU 5 1HB GLU 5 22.945 26.300 9.595
44 HB3 GLU 5 2HB GLU 5 22.617 24.581 9.367
45 HG2 GLU 5 1HG GLU 5 24.944 24.073 10.089
46 HG3 GLU 5 2HG GLU 5 25.200 25.785 10.397
47 H GLY 6 H GLY 6 23.411 27.484 6.547
48 HA2 GLY 6 1HA GLY 6 20.849 26.424 5.637
49 HA3 GLY 6 2HA GLY 6 21.398 28.083 5.496
50 H GLU 7 H GLU 7 23.853 26.016 4.364
51 HA GLU 7 HA GLU 7 23.201 26.742 1.613
52 HB2 GLU 7 1HB GLU 7 25.521 26.987 2.554
53 HB3 GLU 7 2HB GLU 7 25.607 25.228 2.656
54 HG2 GLU 7 1HG GLU 7 25.152 25.091 0.216
55 HG3 GLU 7 2HG GLU 7 25.157 26.847 0.133
56 H ILE 8 H ILE 8 22.947 25.230 -0.068
57 HA ILE 8 HA ILE 8 21.561 22.868 0.788
58 HB ILE 8 HB ILE 8 21.053 22.552 -1.596
59 HG12 ILE 8 1HG1 ILE 8 21.894 24.728 -2.977
60 HG13 ILE 8 2HG1 ILE 8 23.253 24.563 -1.871
61 HG21 ILE 8 1HG2 ILE 8 20.778 25.399 -0.593
62 HG22 ILE 8 2HG2 ILE 8 19.678 24.064 -0.252
63 HG23 ILE 8 3HG2 ILE 8 19.826 24.687 -1.895
64 HD11 ILE 8 1HD1 ILE 8 23.078 23.249 -4.229
65 HD12 ILE 8 2HD1 ILE 8 22.335 22.049 -3.174
66 HD13 ILE 8 3HD1 ILE 8 23.969 22.623 -2.846
67 HA PRO 9 HA PRO 9 25.091 20.101 0.229
68 HB2 PRO 9 1HB PRO 9 23.789 17.738 -0.272
69 HB3 PRO 9 2HB PRO 9 23.987 18.422 1.352
70 HG2 PRO 9 1HG PRO 9 21.628 18.498 -0.454
71 HG3 PRO 9 2HG PRO 9 21.701 18.282 1.305
72 HD2 PRO 9 1HD PRO 9 21.038 20.660 0.162
73 HD3 PRO 9 2HD PRO 9 21.879 20.548 1.723
74 H PHE 10 H PHE 10 26.281 19.267 -1.516
75 HA PHE 10 HA PHE 10 25.692 20.129 -4.095
76 HB2 PHE 10 1HB PHE 10 27.445 17.816 -3.260
77 HB3 PHE 10 2HB PHE 10 27.476 18.597 -4.831
78 HD1 PHE 10 HD1 PHE 10 27.888 21.206 -4.787
79 HD2 PHE 10 HD2 PHE 10 28.904 18.519 -1.594
80 HE1 PHE 10 HE1 PHE 10 29.520 22.859 -3.916
81 HE2 PHE 10 HE2 PHE 10 30.536 20.171 -0.723
82 HZ PHE 10 HZ PHE 10 30.844 22.341 -1.884
83 HA PRO 11 HA PRO 11 22.528 17.436 -5.501
84 HB2 PRO 11 1HB PRO 11 23.932 17.080 -8.096
85 HB3 PRO 11 2HB PRO 11 22.300 17.687 -7.760
86 HG2 PRO 11 1HG PRO 11 24.283 19.307 -8.493
87 HG3 PRO 11 2HG PRO 11 23.026 19.814 -7.349
88 HD2 PRO 11 1HD PRO 11 25.865 19.060 -6.805
89 HD3 PRO 11 2HD PRO 11 24.827 20.251 -5.987
90 HA PRO 12 HA PRO 12 25.160 13.363 -6.402
91 HB2 PRO 12 1HB PRO 12 27.549 14.326 -4.875
92 HB3 PRO 12 2HB PRO 12 27.465 13.162 -6.210
93 HG2 PRO 12 1HG PRO 12 28.335 15.616 -6.628
94 HG3 PRO 12 2HG PRO 12 27.283 14.815 -7.813
95 HD2 PRO 12 1HD PRO 12 26.606 16.978 -5.863
96 HD3 PRO 12 2HD PRO 12 25.968 16.688 -7.497
97 H THR 13 H THR 13 24.660 11.809 -4.877
98 HA THR 13 HA THR 13 24.792 12.583 -2.026
99 HB THR 13 HB THR 13 22.547 11.034 -3.336
100 HG1 THR 13 HG1 THR 13 21.800 12.956 -3.631
101 HG21 THR 13 1HG2 THR 13 22.958 11.953 -0.476
102 HG22 THR 13 2HG2 THR 13 23.064 10.284 -1.039
103 HG23 THR 13 3HG2 THR 13 21.523 11.139 -1.101
104 H SER 14 H SER 14 23.681 9.432 -3.225
105 HA SER 14 HA SER 14 25.292 8.069 -1.368
106 HB2 SER 14 1HB SER 14 24.080 6.982 -3.920
107 HB3 SER 14 2HB SER 14 24.618 6.038 -2.533
108 HG SER 14 HG SER 14 22.278 6.700 -2.745
109 H ILE 15 H ILE 15 25.875 8.945 -4.760
110 HA ILE 15 HA ILE 15 28.107 7.257 -5.138
111 HB ILE 15 HB ILE 15 28.718 8.656 -7.009
112 HG12 ILE 15 1HG1 ILE 15 26.622 10.624 -6.044
113 HG13 ILE 15 2HG1 ILE 15 28.359 10.856 -5.845
114 HG21 ILE 15 1HG2 ILE 15 26.650 8.531 -8.266
115 HG22 ILE 15 2HG2 ILE 15 25.700 8.536 -6.780
116 HG23 ILE 15 3HG2 ILE 15 26.724 7.153 -7.168
117 HD11 ILE 15 1HD1 ILE 15 26.719 10.902 -8.353
118 HD12 ILE 15 2HD1 ILE 15 28.399 10.376 -8.454
119 HD13 ILE 15 3HD1 ILE 15 28.016 11.984 -7.850
120 H LEU 16 H LEU 16 27.827 10.434 -3.593
121 HA LEU 16 HA LEU 16 30.591 10.927 -3.271
122 HB2 LEU 16 1HB LEU 16 28.323 11.604 -1.380
123 HB3 LEU 16 2HB LEU 16 29.937 12.311 -1.344
124 HG LEU 16 HG LEU 16 28.036 12.478 -3.700
125 HD11 LEU 16 1HD1 LEU 16 28.647 14.333 -1.404
126 HD12 LEU 16 2HD1 LEU 16 27.077 13.866 -2.058
127 HD13 LEU 16 3HD1 LEU 16 28.115 14.973 -2.958
128 HD21 LEU 16 1HD2 LEU 16 29.749 14.364 -4.257
129 HD22 LEU 16 2HD2 LEU 16 30.220 12.693 -4.566
130 HD23 LEU 16 3HD2 LEU 16 30.807 13.523 -3.125
131 H LEU 17 H LEU 17 28.316 8.953 -1.380
132 HA LEU 17 HA LEU 17 30.116 8.235 0.673
133 HB2 LEU 17 1HB LEU 17 27.957 6.473 -0.506
134 HB3 LEU 17 2HB LEU 17 28.712 6.298 1.074
135 HG LEU 17 HG LEU 17 27.135 8.731 0.190
136 HD11 LEU 17 1HD1 LEU 17 25.627 6.854 0.439
137 HD12 LEU 17 2HD1 LEU 17 25.473 7.863 1.878
138 HD13 LEU 17 3HD1 LEU 17 26.408 6.368 1.945
139 HD21 LEU 17 1HD2 LEU 17 28.639 9.454 1.858
140 HD22 LEU 17 2HD2 LEU 17 28.555 7.921 2.724
141 HD23 LEU 17 3HD2 LEU 17 27.192 9.040 2.778
142 H LEU 18 H LEU 18 29.709 6.944 -2.595
143 HA LEU 18 HA LEU 18 31.468 4.753 -2.371
144 HB2 LEU 18 1HB LEU 18 29.961 5.345 -4.329
145 HB3 LEU 18 2HB LEU 18 31.201 6.493 -4.825
146 HG LEU 18 HG LEU 18 32.055 3.683 -4.220
147 HD11 LEU 18 1HD1 LEU 18 30.883 4.470 -6.899
148 HD12 LEU 18 2HD1 LEU 18 29.981 3.568 -5.681
149 HD13 LEU 18 3HD1 LEU 18 31.438 2.875 -6.392
150 HD21 LEU 18 1HD2 LEU 18 33.418 4.363 -6.398
151 HD22 LEU 18 2HD2 LEU 18 33.884 4.993 -4.822
152 HD23 LEU 18 3HD2 LEU 18 32.938 5.992 -5.923
153 H LEU 19 H LEU 19 32.107 8.192 -2.977
154 HA LEU 19 HA LEU 19 34.896 8.017 -3.337
155 HB2 LEU 19 1HB LEU 19 33.396 10.067 -3.568
156 HB3 LEU 19 2HB LEU 19 33.520 10.234 -1.819
157 HG LEU 19 HG LEU 19 36.057 9.890 -3.379
158 HD11 LEU 19 1HD1 LEU 19 34.559 12.519 -3.148
159 HD12 LEU 19 2HD1 LEU 19 34.780 11.603 -4.639
160 HD13 LEU 19 3HD1 LEU 19 36.176 12.302 -3.820
161 HD21 LEU 19 1HD2 LEU 19 35.145 11.123 -0.801
162 HD22 LEU 19 2HD2 LEU 19 36.607 11.752 -1.558
163 HD23 LEU 19 3HD2 LEU 19 36.512 10.054 -1.103
164 H ALA 20 H ALA 20 32.941 8.024 -0.388
165 HA ALA 20 HA ALA 20 35.041 8.107 1.487
166 HB1 ALA 20 1HB ALA 20 32.406 8.094 1.771
167 HB2 ALA 20 2HB ALA 20 33.462 7.529 3.066
168 HB3 ALA 20 3HB ALA 20 32.669 6.366 2.004
169 H CYS 21 H CYS 21 33.618 5.389 -0.294
170 HA CYS 21 HA CYS 21 35.055 3.319 0.964
171 HB2 CYS 21 1HB CYS 21 34.228 3.452 -1.946
172 HB3 CYS 21 2HB CYS 21 34.594 1.996 -1.023
173 HG CYS 21 HG CYS 21 32.260 3.786 -0.015
174 H ILE 22 H ILE 22 35.927 5.452 -1.742
175 HA ILE 22 HA ILE 22 38.410 4.265 -2.355
176 HB ILE 22 HB ILE 22 37.677 7.203 -2.485
177 HG12 ILE 22 1HG1 ILE 22 37.504 5.062 -4.626
178 HG13 ILE 22 2HG1 ILE 22 36.120 5.635 -3.695
179 HG21 ILE 22 1HG2 ILE 22 39.429 7.341 -4.180
180 HG22 ILE 22 2HG2 ILE 22 39.746 5.612 -4.032
181 HG23 ILE 22 3HG2 ILE 22 40.118 6.694 -2.690
182 HD11 ILE 22 1HD1 ILE 22 36.672 7.973 -4.484
183 HD12 ILE 22 2HD1 ILE 22 36.151 6.874 -5.762
184 HD13 ILE 22 3HD1 ILE 22 37.862 7.255 -5.570
185 H PHE 23 H PHE 23 37.498 6.581 0.182
186 HA PHE 23 HA PHE 23 40.099 7.159 1.100
187 HB2 PHE 23 1HB PHE 23 37.989 8.309 1.821
188 HB3 PHE 23 2HB PHE 23 37.634 6.913 2.820
189 HD1 PHE 23 HD1 PHE 23 39.914 9.778 2.324
190 HD2 PHE 23 HD2 PHE 23 38.794 6.528 4.900
191 HE1 PHE 23 HE1 PHE 23 41.289 10.748 4.144
192 HE2 PHE 23 HE2 PHE 23 40.168 7.500 6.722
193 HZ PHE 23 HZ PHE 23 41.416 9.610 6.344
194 H LEU 24 H LEU 24 37.925 4.447 1.839
195 HA LEU 24 HA LEU 24 39.543 3.265 3.829
196 HB2 LEU 24 1HB LEU 24 37.540 2.123 1.900
197 HB3 LEU 24 2HB LEU 24 38.511 1.053 2.893
198 HG LEU 24 HG LEU 24 36.302 1.566 3.894
199 HD11 LEU 24 1HD1 LEU 24 38.593 1.240 5.185
200 HD12 LEU 24 2HD1 LEU 24 37.105 1.630 6.048
201 HD13 LEU 24 3HD1 LEU 24 38.278 2.898 5.695
202 HD21 LEU 24 1HD2 LEU 24 37.366 4.393 4.156
203 HD22 LEU 24 2HD2 LEU 24 35.827 3.791 4.773
204 HD23 LEU 24 3HD2 LEU 24 36.101 3.889 3.034
205 H ILE 25 H ILE 25 39.707 3.088 0.293
206 HA ILE 25 HA ILE 25 41.720 1.120 0.129
207 HB ILE 25 HB ILE 25 41.330 3.482 -1.727
208 HG12 ILE 25 1HG1 ILE 25 40.189 0.675 -1.893
209 HG13 ILE 25 2HG1 ILE 25 39.276 2.076 -1.333
210 HG21 ILE 25 1HG2 ILE 25 42.571 0.752 -2.186
211 HG22 ILE 25 2HG2 ILE 25 43.477 2.254 -2.000
212 HG23 ILE 25 3HG2 ILE 25 42.407 2.036 -3.385
213 HD11 ILE 25 1HD1 ILE 25 39.827 3.198 -3.534
214 HD12 ILE 25 2HD1 ILE 25 38.772 1.792 -3.671
215 HD13 ILE 25 3HD1 ILE 25 40.482 1.655 -4.078
216 H LYS 26 H LYS 26 41.933 4.619 0.702
217 HA LYS 26 HA LYS 26 44.742 4.830 0.556
218 HB2 LYS 26 1HB LYS 26 42.828 6.361 2.331
219 HB3 LYS 26 2HB LYS 26 44.507 6.800 2.034
220 HG2 LYS 26 1HG LYS 26 44.077 7.075 -0.339
221 HG3 LYS 26 2HG LYS 26 42.425 6.490 -0.145
222 HD2 LYS 26 1HD LYS 26 42.340 8.902 -0.228
223 HD3 LYS 26 2HD LYS 26 42.013 8.411 1.434
224 HE2 LYS 26 1HE LYS 26 44.204 8.995 2.150
225 HE3 LYS 26 2HE LYS 26 44.797 9.111 0.493
226 HZ1 LYS 26 1HZ LYS 26 43.432 11.066 2.084
227 HZ2 LYS 26 2HZ LYS 26 42.718 10.855 0.556
228 HZ3 LYS 26 3HZ LYS 26 44.361 11.271 0.678
229 H ILE 27 H ILE 27 42.633 3.769 3.203
230 HA ILE 27 HA ILE 27 44.652 3.479 5.156
231 HB ILE 27 HB ILE 27 42.179 1.764 4.812
232 HG12 ILE 27 1HG1 ILE 27 42.623 4.268 6.468
233 HG13 ILE 27 2HG1 ILE 27 41.763 4.238 4.929
234 HG21 ILE 27 1HG2 ILE 27 42.433 1.301 7.186
235 HG22 ILE 27 2HG2 ILE 27 43.830 2.374 7.282
236 HG23 ILE 27 3HG2 ILE 27 43.935 0.869 6.367
237 HD11 ILE 27 1HD1 ILE 27 40.949 3.073 7.573
238 HD12 ILE 27 2HD1 ILE 27 40.349 2.342 6.084
239 HD13 ILE 27 3HD1 ILE 27 40.000 4.034 6.439
240 H LEU 28 H LEU 28 43.656 1.335 2.512
241 HA LEU 28 HA LEU 28 45.301 -0.853 3.181
242 HB2 LEU 28 1HB LEU 28 44.690 0.086 0.371
243 HB3 LEU 28 2HB LEU 28 45.184 -1.526 0.866
244 HG LEU 28 HG LEU 28 42.633 -0.159 1.771
245 HD11 LEU 28 1HD1 LEU 28 43.150 -2.314 -0.300
246 HD12 LEU 28 2HD1 LEU 28 42.492 -0.705 -0.594
247 HD13 LEU 28 3HD1 LEU 28 41.551 -1.891 0.310
248 HD21 LEU 28 1HD2 LEU 28 43.238 -1.721 3.447
249 HD22 LEU 28 2HD2 LEU 28 43.880 -2.865 2.268
250 HD23 LEU 28 3HD2 LEU 28 42.138 -2.625 2.406
251 H ALA 29 H ALA 29 46.066 2.184 1.549
252 HA ALA 29 HA ALA 29 48.750 1.618 0.896
253 HB1 ALA 29 1HB ALA 29 47.890 4.321 1.883
254 HB2 ALA 29 2HB ALA 29 47.289 3.700 0.347
255 HB3 ALA 29 3HB ALA 29 49.022 3.918 0.592
256 H ALA 30 H ALA 30 47.275 2.757 3.913
257 HA ALA 30 HA ALA 30 49.636 3.155 5.389
258 HB1 ALA 30 1HB ALA 30 48.281 3.276 7.255
259 HB2 ALA 30 2HB ALA 30 47.248 1.948 6.723
260 HB3 ALA 30 3HB ALA 30 47.085 3.543 5.987
261 H SER 31 H SER 31 47.766 0.211 4.760
262 HA SER 31 HA SER 31 49.277 -1.573 6.325
263 HB2 SER 31 1HB SER 31 47.127 -2.093 5.091
264 HB3 SER 31 2HB SER 31 48.087 -2.208 3.622
265 HG SER 31 HG SER 31 48.554 -4.152 4.252
266 H ALA 32 H ALA 32 49.908 -0.182 3.127
267 HA ALA 32 HA ALA 32 52.084 -1.834 2.412
268 HB1 ALA 32 1HB ALA 32 52.019 1.093 1.740
269 HB2 ALA 32 2HB ALA 32 50.832 -0.004 1.037
270 HB3 ALA 32 3HB ALA 32 52.552 -0.264 0.747
271 H LEU 33 H LEU 33 51.923 1.164 4.325
272 HA LEU 33 HA LEU 33 54.686 1.464 4.777
273 HB2 LEU 33 1HB LEU 33 52.418 2.122 6.672
274 HB3 LEU 33 2HB LEU 33 54.055 2.773 6.745
275 HG LEU 33 HG LEU 33 52.160 3.125 4.402
276 HD11 LEU 33 1HD1 LEU 33 51.301 4.421 6.219
277 HD12 LEU 33 2HD1 LEU 33 52.221 5.545 5.220
278 HD13 LEU 33 3HD1 LEU 33 52.917 4.922 6.716
279 HD21 LEU 33 1HD2 LEU 33 54.399 3.255 3.594
280 HD22 LEU 33 2HD2 LEU 33 54.947 4.120 5.031
281 HD23 LEU 33 3HD2 LEU 33 53.912 4.929 3.855
282 H TRP 34 H TRP 34 52.263 -0.529 6.447
283 HA TRP 34 HA TRP 34 53.939 -1.556 8.467
284 HB2 TRP 34 1HB TRP 34 51.435 -1.928 8.164
285 HB3 TRP 34 2HB TRP 34 51.864 -3.183 7.017
286 HD1 TRP 34 HD1 TRP 34 51.815 -2.372 10.716
287 HE1 TRP 34 HE1 TRP 34 52.298 -4.520 12.054
288 HE3 TRP 34 HE3 TRP 34 53.133 -5.507 6.906
289 HZ2 TRP 34 HZ2 TRP 34 53.134 -7.218 11.573
290 HZ3 TRP 34 HZ3 TRP 34 53.766 -7.854 7.372
291 HH2 TRP 34 HH2 TRP 34 53.770 -8.715 9.695
292 H ALA 35 H ALA 35 53.629 -2.441 5.061
293 HA ALA 35 HA ALA 35 55.317 -4.693 5.069
294 HB1 ALA 35 1HB ALA 35 55.403 -2.766 2.784
295 HB2 ALA 35 2HB ALA 35 53.881 -3.575 3.156
296 HB3 ALA 35 3HB ALA 35 55.313 -4.528 2.766
297 H ALA 36 H ALA 36 56.059 -1.236 4.928
298 HA ALA 36 HA ALA 36 58.811 -1.440 4.386
299 HB1 ALA 36 1HB ALA 36 57.740 0.642 6.266
300 HB2 ALA 36 2HB ALA 36 57.271 0.660 4.565
301 HB3 ALA 36 3HB ALA 36 58.970 0.802 5.013
302 H ALA 37 H ALA 37 57.044 -1.547 7.461
303 HA ALA 37 HA ALA 37 59.288 -1.868 9.152
304 HB1 ALA 37 1HB ALA 37 56.638 -3.208 9.646
305 HB2 ALA 37 2HB ALA 37 56.828 -1.460 9.784
306 HB3 ALA 37 3HB ALA 37 57.767 -2.534 10.820
307 H TRP 38 H TRP 38 57.350 -4.231 7.373
308 HA TRP 38 HA TRP 38 58.490 -6.586 8.322
309 HB2 TRP 38 1HB TRP 38 56.498 -6.349 6.801
310 HB3 TRP 38 2HB TRP 38 57.623 -6.119 5.477
311 HD1 TRP 38 HD1 TRP 38 58.717 -8.212 4.438
312 HE1 TRP 38 HE1 TRP 38 58.483 -10.745 4.850
313 HE3 TRP 38 HE3 TRP 38 56.064 -8.155 8.800
314 HZ2 TRP 38 HZ2 TRP 38 57.322 -12.517 6.778
315 HZ3 TRP 38 HZ3 TRP 38 55.408 -10.273 9.900
316 HH2 TRP 38 HH2 TRP 38 56.032 -12.451 8.899
317 H HIS 39 H HIS 39 59.767 -4.331 5.917
318 HA HIS 39 HA HIS 39 62.018 -6.005 5.271
319 HB2 HIS 39 1HB HIS 39 61.560 -3.035 4.944
320 HB3 HIS 39 2HB HIS 39 62.971 -3.884 4.341
321 HD1 HIS 39 HD1 HIS 39 59.427 -3.140 3.587
322 HD2 HIS 39 HD2 HIS 39 62.376 -5.712 2.151
323 HE1 HIS 39 HE1 HIS 39 58.595 -4.008 1.360
324 H GLY 40 H GLY 40 61.939 -2.847 6.965
325 HA2 GLY 40 1HA GLY 40 63.254 -4.167 9.237
326 HA3 GLY 40 2HA GLY 40 63.997 -2.709 8.586
327 H GLN 41 H GLN 41 61.738 -3.858 10.829
328 HA GLN 41 HA GLN 41 60.284 -1.614 11.443
329 HB2 GLN 41 1HB GLN 41 61.854 -3.373 13.342
330 HB3 GLN 41 2HB GLN 41 60.600 -2.235 13.835
331 HG2 GLN 41 1HG GLN 41 58.944 -3.422 12.490
332 HG3 GLN 41 2HG GLN 41 60.182 -4.523 11.893
333 HE21 GLN 41 1HE2 GLN 41 57.877 -5.477 13.310
334 HE22 GLN 41 2HE2 GLN 41 58.396 -6.120 14.792
335 H LYS 42 H LYS 42 60.672 0.341 12.523
336 HA LYS 42 HA LYS 42 63.028 1.683 11.910
337 HB2 LYS 42 1HB LYS 42 60.942 2.253 14.022
338 HB3 LYS 42 2HB LYS 42 62.245 3.372 13.617
339 HG2 LYS 42 1HG LYS 42 61.484 3.468 11.293
340 HG3 LYS 42 2HG LYS 42 60.215 2.292 11.642
341 HD2 LYS 42 1HD LYS 42 59.467 3.972 13.477
342 HD3 LYS 42 2HD LYS 42 60.445 5.141 12.589
343 HE2 LYS 42 1HE LYS 42 59.171 4.650 10.533
344 HE3 LYS 42 2HE LYS 42 58.185 3.489 11.424
345 HZ1 LYS 42 1HZ LYS 42 56.946 5.440 11.451
346 HZ2 LYS 42 2HZ LYS 42 58.303 6.424 11.731
347 HZ3 LYS 42 3HZ LYS 42 57.699 5.432 12.972
348 HA PRO 43 HA PRO 43 65.978 0.218 14.885
349 HB2 PRO 43 1HB PRO 43 66.882 3.020 15.317
350 HB3 PRO 43 2HB PRO 43 67.807 1.599 14.795
351 HG2 PRO 43 1HG PRO 43 67.152 3.550 13.104
352 HG3 PRO 43 2HG PRO 43 67.220 1.851 12.600
353 HD2 PRO 43 1HD PRO 43 64.824 3.555 13.139
354 HD3 PRO 43 2HD PRO 43 65.042 2.250 11.952
355 H GLY 44 H GLY 44 66.114 -0.084 17.090
356 HA2 GLY 44 1HA GLY 44 64.053 0.762 18.778
357 HA3 GLY 44 2HA GLY 44 65.579 0.079 19.319
358 H THR 45 H THR 45 67.101 2.331 18.024
359 HA THR 45 HA THR 45 67.381 3.988 20.258
360 HB THR 45 HB THR 45 68.720 5.436 18.803
361 HG1 THR 45 HG1 THR 45 68.829 4.700 16.555
362 HG21 THR 45 1HG2 THR 45 69.155 2.543 18.034
363 HG22 THR 45 2HG2 THR 45 69.545 3.179 19.632
364 HG23 THR 45 3HG2 THR 45 70.373 3.808 18.207
365 H HIS 46 H HIS 46 65.095 4.213 17.626
366 HA HIS 46 HA HIS 46 64.522 6.949 17.669
367 HB2 HIS 46 1HB HIS 46 62.393 6.368 16.684
368 HB3 HIS 46 2HB HIS 46 63.656 5.376 15.986
369 HD1 HIS 46 HD1 HIS 46 63.414 3.650 18.910
370 HD2 HIS 46 HD2 HIS 46 60.644 4.158 15.836
371 HE1 HIS 46 HE1 HIS 46 61.785 1.722 19.091
Start of MODEL 14
1 H ARG 1 3H ARG 1 11.843 12.569 15.768
2 HA ARG 1 HA ARG 1 10.736 14.143 14.115
3 HB2 ARG 1 1HB ARG 1 13.083 15.800 15.089
4 HB3 ARG 1 2HB ARG 1 12.122 16.158 13.652
5 HG2 ARG 1 1HG ARG 1 10.086 16.275 15.085
6 HG3 ARG 1 2HG ARG 1 11.102 16.029 16.506
7 HD2 ARG 1 1HD ARG 1 12.416 18.066 15.823
8 HD3 ARG 1 2HD ARG 1 11.218 18.350 14.565
9 HE ARG 1 HE ARG 1 10.853 18.697 17.439
10 HH11 ARG 1 1HH1 ARG 1 9.298 18.541 14.293
11 HH12 ARG 1 2HH1 ARG 1 7.873 19.354 14.848
12 HH21 ARG 1 1HH2 ARG 1 8.993 19.739 18.093
13 HH22 ARG 1 2HH2 ARG 1 7.703 20.022 16.972
14 H SER 2 H SER 2 11.394 12.030 13.314
15 HA SER 2 HA SER 2 14.013 11.257 12.723
16 HB2 SER 2 1HB SER 2 13.058 9.625 11.276
17 HB3 SER 2 2HB SER 2 11.893 9.857 12.575
18 HG SER 2 HG SER 2 10.543 10.731 11.194
19 H LEU 3 H LEU 3 15.300 11.428 10.892
20 HA LEU 3 HA LEU 3 15.345 13.849 9.503
21 HB2 LEU 3 1HB LEU 3 17.260 12.273 9.787
22 HB3 LEU 3 2HB LEU 3 16.525 11.224 8.577
23 HG LEU 3 HG LEU 3 16.559 13.180 6.980
24 HD11 LEU 3 1HD1 LEU 3 18.343 14.932 7.694
25 HD12 LEU 3 2HD1 LEU 3 18.010 14.381 9.335
26 HD13 LEU 3 3HD1 LEU 3 16.718 15.085 8.362
27 HD21 LEU 3 1HD2 LEU 3 19.037 13.036 6.601
28 HD22 LEU 3 2HD2 LEU 3 18.275 11.462 6.830
29 HD23 LEU 3 3HD2 LEU 3 19.181 12.202 8.148
30 H LEU 4 H LEU 4 13.525 10.950 8.807
31 HA LEU 4 HA LEU 4 13.153 11.204 6.039
32 HB2 LEU 4 1HB LEU 4 12.491 9.256 7.484
33 HB3 LEU 4 2HB LEU 4 11.112 10.205 8.032
34 HG LEU 4 HG LEU 4 10.587 10.496 5.502
35 HD11 LEU 4 1HD1 LEU 4 12.924 9.394 5.007
36 HD12 LEU 4 2HD1 LEU 4 11.543 9.001 3.983
37 HD13 LEU 4 3HD1 LEU 4 12.049 7.883 5.250
38 HD21 LEU 4 1HD2 LEU 4 9.403 8.291 5.492
39 HD22 LEU 4 2HD2 LEU 4 9.185 9.181 6.998
40 HD23 LEU 4 3HD2 LEU 4 10.319 7.833 6.928
41 H GLU 5 H GLU 5 11.777 13.038 8.667
42 HA GLU 5 HA GLU 5 9.600 14.100 7.052
43 HB2 GLU 5 1HB GLU 5 9.388 13.594 9.496
44 HB3 GLU 5 2HB GLU 5 10.488 14.934 9.817
45 HG2 GLU 5 1HG GLU 5 8.920 16.467 8.643
46 HG3 GLU 5 2HG GLU 5 7.815 15.123 8.399
47 H GLY 6 H GLY 6 12.876 15.007 7.750
48 HA2 GLY 6 1HA GLY 6 12.423 17.796 7.007
49 HA3 GLY 6 2HA GLY 6 13.939 17.097 7.551
50 H GLU 7 H GLU 7 12.457 15.230 5.122
51 HA GLU 7 HA GLU 7 12.513 15.144 2.840
52 HB2 GLU 7 1HB GLU 7 12.689 17.649 2.717
53 HB3 GLU 7 2HB GLU 7 14.443 17.465 2.770
54 HG2 GLU 7 1HG GLU 7 14.321 15.981 0.779
55 HG3 GLU 7 2HG GLU 7 12.589 16.269 0.696
56 H ILE 8 H ILE 8 13.662 13.795 1.615
57 HA ILE 8 HA ILE 8 16.037 12.672 2.774
58 HB ILE 8 HB ILE 8 15.908 11.061 0.896
59 HG12 ILE 8 1HG1 ILE 8 13.467 12.657 0.053
60 HG13 ILE 8 2HG1 ILE 8 15.023 12.729 -0.773
61 HG21 ILE 8 1HG2 ILE 8 13.755 10.080 1.548
62 HG22 ILE 8 2HG2 ILE 8 13.242 11.624 2.227
63 HG23 ILE 8 3HG2 ILE 8 14.576 10.738 2.965
64 HD11 ILE 8 1HD1 ILE 8 13.887 11.102 -2.011
65 HD12 ILE 8 2HD1 ILE 8 13.094 10.433 -0.585
66 HD13 ILE 8 3HD1 ILE 8 14.807 10.125 -0.867
67 HA PRO 9 HA PRO 9 18.882 15.144 0.373
68 HB2 PRO 9 1HB PRO 9 21.051 13.472 0.199
69 HB3 PRO 9 2HB PRO 9 20.644 14.401 1.654
70 HG2 PRO 9 1HG PRO 9 20.147 11.537 1.043
71 HG3 PRO 9 2HG PRO 9 20.627 12.303 2.568
72 HD2 PRO 9 1HD PRO 9 18.066 11.512 2.071
73 HD3 PRO 9 2HD PRO 9 18.462 12.888 3.123
74 H PHE 10 H PHE 10 19.548 15.392 -1.781
75 HA PHE 10 HA PHE 10 18.068 14.033 -3.700
76 HB2 PHE 10 1HB PHE 10 20.657 15.528 -4.125
77 HB3 PHE 10 2HB PHE 10 19.467 15.154 -5.357
78 HD1 PHE 10 HD1 PHE 10 20.276 17.264 -2.457
79 HD2 PHE 10 HD2 PHE 10 17.347 16.370 -5.470
80 HE1 PHE 10 HE1 PHE 10 19.098 19.385 -1.942
81 HE2 PHE 10 HE2 PHE 10 16.170 18.492 -4.955
82 HZ PHE 10 HZ PHE 10 17.046 20.000 -3.191
83 HA PRO 11 HA PRO 11 20.168 10.211 -4.229
84 HB2 PRO 11 1HB PRO 11 19.995 9.839 -6.999
85 HB3 PRO 11 2HB PRO 11 18.795 9.374 -5.785
86 HG2 PRO 11 1HG PRO 11 18.830 11.687 -7.604
87 HG3 PRO 11 2HG PRO 11 17.465 10.797 -6.919
88 HD2 PRO 11 1HD PRO 11 18.240 13.275 -6.035
89 HD3 PRO 11 2HD PRO 11 17.386 12.089 -5.024
90 HA PRO 12 HA PRO 12 23.850 11.482 -7.238
91 HB2 PRO 12 1HB PRO 12 24.011 14.327 -6.350
92 HB3 PRO 12 2HB PRO 12 24.413 13.607 -7.922
93 HG2 PRO 12 1HG PRO 12 22.190 15.008 -7.586
94 HG3 PRO 12 2HG PRO 12 22.227 13.567 -8.620
95 HD2 PRO 12 1HD PRO 12 21.059 13.890 -5.892
96 HD3 PRO 12 2HD PRO 12 20.515 12.872 -7.241
97 H THR 13 H THR 13 23.048 12.648 -4.032
98 HA THR 13 HA THR 13 25.602 12.994 -2.950
99 HB THR 13 HB THR 13 23.181 11.886 -1.517
100 HG1 THR 13 HG1 THR 13 22.425 13.861 -1.516
101 HG21 THR 13 1HG2 THR 13 25.657 13.377 -0.613
102 HG22 THR 13 2HG2 THR 13 25.175 11.743 -0.162
103 HG23 THR 13 3HG2 THR 13 24.240 13.126 0.405
104 H SER 14 H SER 14 23.892 10.017 -3.709
105 HA SER 14 HA SER 14 25.264 8.250 -2.005
106 HB2 SER 14 1HB SER 14 24.263 7.699 -4.809
107 HB3 SER 14 2HB SER 14 24.614 6.500 -3.569
108 HG SER 14 HG SER 14 22.379 7.070 -3.685
109 H ILE 15 H ILE 15 26.187 9.661 -5.127
110 HA ILE 15 HA ILE 15 28.459 8.062 -5.623
111 HB ILE 15 HB ILE 15 28.049 10.992 -6.284
112 HG12 ILE 15 1HG1 ILE 15 27.492 8.525 -7.961
113 HG13 ILE 15 2HG1 ILE 15 26.248 9.424 -7.090
114 HG21 ILE 15 1HG2 ILE 15 29.814 8.903 -7.601
115 HG22 ILE 15 2HG2 ILE 15 30.400 10.156 -6.506
116 HG23 ILE 15 3HG2 ILE 15 29.681 10.603 -8.053
117 HD11 ILE 15 1HD1 ILE 15 27.011 11.493 -8.339
118 HD12 ILE 15 2HD1 ILE 15 26.254 10.258 -9.345
119 HD13 ILE 15 3HD1 ILE 15 28.009 10.433 -9.335
120 H LEU 16 H LEU 16 28.000 10.896 -3.524
121 HA LEU 16 HA LEU 16 30.701 11.280 -2.817
122 HB2 LEU 16 1HB LEU 16 28.460 12.582 -2.200
123 HB3 LEU 16 2HB LEU 16 28.550 11.581 -0.759
124 HG LEU 16 HG LEU 16 29.634 13.699 -0.315
125 HD11 LEU 16 1HD1 LEU 16 30.715 11.444 0.423
126 HD12 LEU 16 2HD1 LEU 16 31.642 12.934 0.598
127 HD13 LEU 16 3HD1 LEU 16 31.961 11.851 -0.757
128 HD21 LEU 16 1HD2 LEU 16 31.243 14.702 -1.674
129 HD22 LEU 16 2HD2 LEU 16 30.158 13.980 -2.861
130 HD23 LEU 16 3HD2 LEU 16 31.677 13.182 -2.455
131 H LEU 17 H LEU 17 28.249 9.027 -1.578
132 HA LEU 17 HA LEU 17 29.763 7.994 0.564
133 HB2 LEU 17 1HB LEU 17 27.790 6.482 -1.163
134 HB3 LEU 17 2HB LEU 17 28.330 6.028 0.450
135 HG LEU 17 HG LEU 17 26.881 8.608 -0.211
136 HD11 LEU 17 1HD1 LEU 17 25.001 7.518 1.052
137 HD12 LEU 17 2HD1 LEU 17 25.922 6.014 1.032
138 HD13 LEU 17 3HD1 LEU 17 25.367 6.728 -0.481
139 HD21 LEU 17 1HD2 LEU 17 26.602 8.529 2.359
140 HD22 LEU 17 2HD2 LEU 17 28.189 8.978 1.735
141 HD23 LEU 17 3HD2 LEU 17 27.907 7.344 2.335
142 H LEU 18 H LEU 18 29.758 7.158 -2.882
143 HA LEU 18 HA LEU 18 31.510 4.953 -2.698
144 HB2 LEU 18 1HB LEU 18 30.874 6.890 -4.900
145 HB3 LEU 18 2HB LEU 18 32.203 5.761 -5.094
146 HG LEU 18 HG LEU 18 30.064 4.931 -6.050
147 HD11 LEU 18 1HD1 LEU 18 31.918 3.463 -5.005
148 HD12 LEU 18 2HD1 LEU 18 30.354 2.717 -5.331
149 HD13 LEU 18 3HD1 LEU 18 30.773 3.206 -3.690
150 HD21 LEU 18 1HD2 LEU 18 28.230 4.268 -4.609
151 HD22 LEU 18 2HD2 LEU 18 28.570 5.975 -4.327
152 HD23 LEU 18 3HD2 LEU 18 29.125 4.763 -3.172
153 H LEU 19 H LEU 19 32.169 8.428 -2.839
154 HA LEU 19 HA LEU 19 34.973 8.278 -3.012
155 HB2 LEU 19 1HB LEU 19 33.624 10.384 -3.165
156 HB3 LEU 19 2HB LEU 19 33.417 10.317 -1.414
157 HG LEU 19 HG LEU 19 35.955 10.203 -1.242
158 HD11 LEU 19 1HD1 LEU 19 35.614 10.847 -4.177
159 HD12 LEU 19 2HD1 LEU 19 36.588 9.569 -3.452
160 HD13 LEU 19 3HD1 LEU 19 37.084 11.254 -3.292
161 HD21 LEU 19 1HD2 LEU 19 36.193 12.614 -1.444
162 HD22 LEU 19 2HD2 LEU 19 34.569 12.265 -0.851
163 HD23 LEU 19 3HD2 LEU 19 34.816 12.695 -2.543
164 H ALA 20 H ALA 20 32.819 7.932 -0.236
165 HA ALA 20 HA ALA 20 34.782 7.846 1.782
166 HB1 ALA 20 1HB ALA 20 32.274 6.166 1.757
167 HB2 ALA 20 2HB ALA 20 32.261 7.898 2.087
168 HB3 ALA 20 3HB ALA 20 33.137 6.803 3.156
169 H CYS 21 H CYS 21 33.518 5.304 -0.342
170 HA CYS 21 HA CYS 21 34.922 3.139 0.786
171 HB2 CYS 21 1HB CYS 21 34.158 3.605 -2.107
172 HB3 CYS 21 2HB CYS 21 34.659 2.060 -1.423
173 HG CYS 21 HG CYS 21 32.283 3.305 0.055
174 H ILE 22 H ILE 22 35.892 5.521 -1.661
175 HA ILE 22 HA ILE 22 38.399 4.394 -2.285
176 HB ILE 22 HB ILE 22 37.614 7.322 -2.259
177 HG12 ILE 22 1HG1 ILE 22 37.581 5.293 -4.514
178 HG13 ILE 22 2HG1 ILE 22 36.152 5.790 -3.616
179 HG21 ILE 22 1HG2 ILE 22 39.787 5.875 -3.811
180 HG22 ILE 22 2HG2 ILE 22 40.078 6.881 -2.392
181 HG23 ILE 22 3HG2 ILE 22 39.433 7.602 -3.866
182 HD11 ILE 22 1HD1 ILE 22 37.087 6.995 -5.918
183 HD12 ILE 22 2HD1 ILE 22 37.700 8.072 -4.667
184 HD13 ILE 22 3HD1 ILE 22 35.975 7.730 -4.770
185 H PHE 23 H PHE 23 37.405 6.524 0.387
186 HA PHE 23 HA PHE 23 39.972 6.966 1.460
187 HB2 PHE 23 1HB PHE 23 37.870 8.059 2.248
188 HB3 PHE 23 2HB PHE 23 37.426 6.553 3.027
189 HD1 PHE 23 HD1 PHE 23 38.589 5.779 5.033
190 HD2 PHE 23 HD2 PHE 23 39.668 9.463 3.107
191 HE1 PHE 23 HE1 PHE 23 39.881 6.450 7.040
192 HE2 PHE 23 HE2 PHE 23 40.961 10.134 5.114
193 HZ PHE 23 HZ PHE 23 41.067 8.627 7.081
194 H LEU 24 H LEU 24 37.788 4.194 1.742
195 HA LEU 24 HA LEU 24 39.178 2.840 3.787
196 HB2 LEU 24 1HB LEU 24 36.903 2.242 2.962
197 HB3 LEU 24 2HB LEU 24 37.642 1.594 1.499
198 HG LEU 24 HG LEU 24 39.050 0.104 3.001
199 HD11 LEU 24 1HD1 LEU 24 37.860 -0.267 5.278
200 HD12 LEU 24 2HD1 LEU 24 37.176 1.338 5.017
201 HD13 LEU 24 3HD1 LEU 24 38.924 1.130 5.123
202 HD21 LEU 24 1HD2 LEU 24 36.028 -0.174 3.063
203 HD22 LEU 24 2HD2 LEU 24 37.161 -1.476 3.423
204 HD23 LEU 24 3HD2 LEU 24 37.108 -0.776 1.805
205 H ILE 25 H ILE 25 39.575 2.745 0.245
206 HA ILE 25 HA ILE 25 41.603 0.773 0.330
207 HB ILE 25 HB ILE 25 40.400 1.363 -1.755
208 HG12 ILE 25 1HG1 ILE 25 43.402 1.535 -2.038
209 HG13 ILE 25 2HG1 ILE 25 42.573 0.060 -1.539
210 HG21 ILE 25 1HG2 ILE 25 40.363 3.605 -2.173
211 HG22 ILE 25 2HG2 ILE 25 41.832 3.228 -3.062
212 HG23 ILE 25 3HG2 ILE 25 41.934 3.900 -1.440
213 HD11 ILE 25 1HD1 ILE 25 41.336 -0.038 -3.600
214 HD12 ILE 25 2HD1 ILE 25 43.028 0.222 -4.024
215 HD13 ILE 25 3HD1 ILE 25 41.889 1.569 -4.073
216 H LYS 26 H LYS 26 41.773 4.258 0.776
217 HA LYS 26 HA LYS 26 44.575 4.515 0.715
218 HB2 LYS 26 1HB LYS 26 42.978 6.419 0.894
219 HB3 LYS 26 2HB LYS 26 42.671 5.963 2.570
220 HG2 LYS 26 1HG LYS 26 45.021 6.304 3.135
221 HG3 LYS 26 2HG LYS 26 45.400 6.663 1.450
222 HD2 LYS 26 1HD LYS 26 45.175 8.768 2.618
223 HD3 LYS 26 2HD LYS 26 43.767 8.579 1.571
224 HE2 LYS 26 1HE LYS 26 42.345 8.052 3.368
225 HE3 LYS 26 2HE LYS 26 43.690 7.637 4.431
226 HZ1 LYS 26 1HZ LYS 26 44.360 10.050 4.200
227 HZ2 LYS 26 2HZ LYS 26 42.972 9.734 5.127
228 HZ3 LYS 26 3HZ LYS 26 42.821 10.320 3.540
229 H ILE 27 H ILE 27 42.412 3.375 3.286
230 HA ILE 27 HA ILE 27 44.357 3.085 5.309
231 HB ILE 27 HB ILE 27 42.007 1.247 4.813
232 HG12 ILE 27 1HG1 ILE 27 41.240 3.579 4.854
233 HG13 ILE 27 2HG1 ILE 27 40.754 2.751 6.329
234 HG21 ILE 27 1HG2 ILE 27 43.532 0.378 6.476
235 HG22 ILE 27 2HG2 ILE 27 42.112 1.015 7.305
236 HG23 ILE 27 3HG2 ILE 27 43.612 1.943 7.284
237 HD11 ILE 27 1HD1 ILE 27 43.126 4.622 6.028
238 HD12 ILE 27 2HD1 ILE 27 42.710 3.754 7.506
239 HD13 ILE 27 3HD1 ILE 27 41.617 4.978 6.865
240 H LEU 28 H LEU 28 43.467 0.950 2.622
241 HA LEU 28 HA LEU 28 45.149 -1.210 3.288
242 HB2 LEU 28 1HB LEU 28 43.443 -1.218 1.450
243 HB3 LEU 28 2HB LEU 28 44.561 -0.257 0.482
244 HG LEU 28 HG LEU 28 46.295 -2.069 0.892
245 HD11 LEU 28 1HD1 LEU 28 45.401 -3.230 2.768
246 HD12 LEU 28 2HD1 LEU 28 45.193 -4.331 1.406
247 HD13 LEU 28 3HD1 LEU 28 43.820 -3.400 2.006
248 HD21 LEU 28 1HD2 LEU 28 45.231 -1.949 -1.262
249 HD22 LEU 28 2HD2 LEU 28 43.739 -2.648 -0.630
250 HD23 LEU 28 3HD2 LEU 28 45.188 -3.644 -0.773
251 H ALA 29 H ALA 29 45.865 1.846 1.677
252 HA ALA 29 HA ALA 29 48.529 1.285 0.945
253 HB1 ALA 29 1HB ALA 29 47.098 3.323 0.336
254 HB2 ALA 29 2HB ALA 29 48.804 3.615 0.670
255 HB3 ALA 29 3HB ALA 29 47.589 3.987 1.893
256 H ALA 30 H ALA 30 47.145 2.449 3.989
257 HA ALA 30 HA ALA 30 49.559 3.037 5.309
258 HB1 ALA 30 1HB ALA 30 48.267 2.729 7.399
259 HB2 ALA 30 2HB ALA 30 46.950 2.023 6.463
260 HB3 ALA 30 3HB ALA 30 47.398 3.712 6.220
261 H SER 31 H SER 31 47.749 -0.002 5.027
262 HA SER 31 HA SER 31 49.418 -1.571 6.670
263 HB2 SER 31 1HB SER 31 48.423 -3.471 5.676
264 HB3 SER 31 2HB SER 31 47.180 -2.227 5.621
265 HG SER 31 HG SER 31 47.350 -3.209 3.606
266 H ALA 32 H ALA 32 49.791 -0.527 3.312
267 HA ALA 32 HA ALA 32 51.913 -2.258 2.613
268 HB1 ALA 32 1HB ALA 32 52.356 -0.742 0.806
269 HB2 ALA 32 2HB ALA 32 51.547 0.582 1.644
270 HB3 ALA 32 3HB ALA 32 50.606 -0.781 1.036
271 H LEU 33 H LEU 33 51.888 0.960 4.139
272 HA LEU 33 HA LEU 33 54.679 1.319 4.238
273 HB2 LEU 33 1HB LEU 33 52.611 2.275 6.231
274 HB3 LEU 33 2HB LEU 33 54.241 2.919 6.038
275 HG LEU 33 HG LEU 33 52.117 2.916 3.871
276 HD11 LEU 33 1HD1 LEU 33 52.107 5.384 4.284
277 HD12 LEU 33 2HD1 LEU 33 53.141 5.120 5.687
278 HD13 LEU 33 3HD1 LEU 33 51.507 4.457 5.660
279 HD21 LEU 33 1HD2 LEU 33 53.829 4.663 2.952
280 HD22 LEU 33 2HD2 LEU 33 54.198 2.948 2.767
281 HD23 LEU 33 3HD2 LEU 33 54.968 3.883 4.050
282 H TRP 34 H TRP 34 52.477 -0.387 6.447
283 HA TRP 34 HA TRP 34 54.394 -1.045 8.409
284 HB2 TRP 34 1HB TRP 34 51.938 -2.520 7.488
285 HB3 TRP 34 2HB TRP 34 52.939 -3.078 8.807
286 HD1 TRP 34 HD1 TRP 34 53.389 0.068 9.853
287 HE1 TRP 34 HE1 TRP 34 51.475 1.085 11.245
288 HE3 TRP 34 HE3 TRP 34 49.567 -3.042 8.506
289 HZ2 TRP 34 HZ2 TRP 34 48.689 0.640 11.727
290 HZ3 TRP 34 HZ3 TRP 34 47.301 -2.723 9.445
291 HH2 TRP 34 HH2 TRP 34 46.854 -0.891 11.051
292 H ALA 35 H ALA 35 53.716 -2.516 5.271
293 HA ALA 35 HA ALA 35 55.433 -4.737 5.492
294 HB1 ALA 35 1HB ALA 35 53.795 -4.017 3.579
295 HB2 ALA 35 2HB ALA 35 55.241 -4.947 3.185
296 HB3 ALA 35 3HB ALA 35 55.217 -3.203 2.926
297 H ALA 36 H ALA 36 56.092 -1.369 4.634
298 HA ALA 36 HA ALA 36 58.796 -1.657 3.916
299 HB1 ALA 36 1HB ALA 36 58.959 0.667 4.098
300 HB2 ALA 36 2HB ALA 36 57.815 0.740 5.438
301 HB3 ALA 36 3HB ALA 36 57.238 0.426 3.802
302 H ALA 37 H ALA 37 57.275 -1.231 7.091
303 HA ALA 37 HA ALA 37 59.635 -1.144 8.629
304 HB1 ALA 37 1HB ALA 37 57.192 -0.750 9.354
305 HB2 ALA 37 2HB ALA 37 58.274 -1.542 10.500
306 HB3 ALA 37 3HB ALA 37 57.121 -2.499 9.571
307 H TRP 38 H TRP 38 57.742 -3.878 7.434
308 HA TRP 38 HA TRP 38 59.070 -5.975 8.694
309 HB2 TRP 38 1HB TRP 38 56.998 -6.048 7.219
310 HB3 TRP 38 2HB TRP 38 58.094 -6.085 5.852
311 HD1 TRP 38 HD1 TRP 38 59.287 -8.328 5.300
312 HE1 TRP 38 HE1 TRP 38 59.073 -10.724 6.226
313 HE3 TRP 38 HE3 TRP 38 56.521 -7.410 9.492
314 HZ2 TRP 38 HZ2 TRP 38 57.882 -12.076 8.454
315 HZ3 TRP 38 HZ3 TRP 38 55.861 -9.263 10.994
316 HH2 TRP 38 HH2 TRP 38 56.536 -11.592 10.484
317 H HIS 39 H HIS 39 60.070 -4.128 5.840
318 HA HIS 39 HA HIS 39 62.442 -5.711 5.430
319 HB2 HIS 39 1HB HIS 39 61.717 -2.906 4.563
320 HB3 HIS 39 2HB HIS 39 63.186 -3.734 4.081
321 HD1 HIS 39 HD1 HIS 39 59.510 -3.600 3.454
322 HD2 HIS 39 HD2 HIS 39 62.784 -5.840 2.172
323 HE1 HIS 39 HE1 HIS 39 58.733 -4.909 1.431
324 H GLY 40 H GLY 40 62.123 -2.312 6.488
325 HA2 GLY 40 1HA GLY 40 63.594 -3.034 8.925
326 HA3 GLY 40 2HA GLY 40 64.172 -1.662 7.979
327 H GLN 41 H GLN 41 62.184 -2.537 10.503
328 HA GLN 41 HA GLN 41 60.205 -0.657 10.588
329 HB2 GLN 41 1HB GLN 41 62.068 -1.424 12.849
330 HB3 GLN 41 2HB GLN 41 60.513 -0.613 13.044
331 HG2 GLN 41 1HG GLN 41 59.353 -2.502 12.025
332 HG3 GLN 41 2HG GLN 41 60.888 -3.313 11.723
333 HE21 GLN 41 1HE2 GLN 41 58.841 -4.524 13.318
334 HE22 GLN 41 2HE2 GLN 41 59.402 -4.624 14.918
335 H LYS 42 H LYS 42 60.009 1.494 11.243
336 HA LYS 42 HA LYS 42 61.809 3.212 10.015
337 HB2 LYS 42 1HB LYS 42 59.343 3.544 10.666
338 HB3 LYS 42 2HB LYS 42 59.980 4.139 12.199
339 HG2 LYS 42 1HG LYS 42 61.177 5.902 11.138
340 HG3 LYS 42 2HG LYS 42 60.957 5.189 9.539
341 HD2 LYS 42 1HD LYS 42 59.398 7.033 9.771
342 HD3 LYS 42 2HD LYS 42 58.483 5.525 9.793
343 HE2 LYS 42 1HE LYS 42 58.399 5.587 12.245
344 HE3 LYS 42 2HE LYS 42 59.359 7.066 12.254
345 HZ1 LYS 42 1HZ LYS 42 57.634 8.236 11.153
346 HZ2 LYS 42 2HZ LYS 42 56.915 7.404 12.448
347 HZ3 LYS 42 3HZ LYS 42 56.752 6.815 10.863
348 HA PRO 43 HA PRO 43 63.719 4.272 14.425
349 HB2 PRO 43 1HB PRO 43 64.099 1.397 15.165
350 HB3 PRO 43 2HB PRO 43 63.899 2.816 16.214
351 HG2 PRO 43 1HG PRO 43 61.901 1.127 15.831
352 HG3 PRO 43 2HG PRO 43 61.616 2.876 15.933
353 HD2 PRO 43 1HD PRO 43 61.590 1.109 13.530
354 HD3 PRO 43 2HD PRO 43 60.629 2.563 13.870
355 H GLY 44 H GLY 44 65.930 4.515 14.372
356 HA2 GLY 44 1HA GLY 44 68.042 4.464 13.466
357 HA3 GLY 44 2HA GLY 44 67.873 2.717 13.572
358 H THR 45 H THR 45 66.380 5.247 11.527
359 HA THR 45 HA THR 45 66.180 3.695 9.209
360 HB THR 45 HB THR 45 65.944 5.813 8.005
361 HG1 THR 45 HG1 THR 45 66.234 7.741 9.273
362 HG21 THR 45 1HG2 THR 45 64.024 6.615 9.170
363 HG22 THR 45 2HG2 THR 45 64.669 6.103 10.729
364 HG23 THR 45 3HG2 THR 45 64.135 4.898 9.558
365 H HIS 46 H HIS 46 68.984 5.295 10.556
366 HA HIS 46 HA HIS 46 70.472 5.101 8.050
367 HB2 HIS 46 1HB HIS 46 70.720 7.055 9.584
368 HB3 HIS 46 2HB HIS 46 71.408 5.977 10.784
369 HD1 HIS 46 HD1 HIS 46 73.846 5.252 10.467
370 HD2 HIS 46 HD2 HIS 46 72.410 7.575 7.318
371 HE1 HIS 46 HE1 HIS 46 75.857 5.872 9.062
Start of MODEL 15
1 H ARG 1 3H ARG 1 40.728 13.075 -23.108
2 HA ARG 1 HA ARG 1 39.342 11.568 -21.846
3 HB2 ARG 1 1HB ARG 1 40.242 13.670 -20.815
4 HB3 ARG 1 2HB ARG 1 38.717 14.466 -21.205
5 HG2 ARG 1 1HG ARG 1 37.486 12.865 -19.831
6 HG3 ARG 1 2HG ARG 1 38.972 11.975 -19.496
7 HD2 ARG 1 1HD ARG 1 38.545 13.401 -17.600
8 HD3 ARG 1 2HD ARG 1 39.911 14.080 -18.481
9 HE ARG 1 HE ARG 1 37.754 15.363 -19.553
10 HH11 ARG 1 1HH1 ARG 1 38.879 14.949 -16.252
11 HH12 ARG 1 2HH1 ARG 1 38.201 16.454 -15.727
12 HH21 ARG 1 1HH2 ARG 1 36.904 17.289 -18.819
13 HH22 ARG 1 2HH2 ARG 1 37.097 17.762 -17.163
14 H SER 2 H SER 2 37.516 10.463 -22.153
15 HA SER 2 HA SER 2 35.383 11.263 -23.768
16 HB2 SER 2 1HB SER 2 35.341 9.244 -21.511
17 HB3 SER 2 2HB SER 2 34.170 9.359 -22.822
18 HG SER 2 HG SER 2 36.857 8.545 -22.849
19 H LEU 3 H LEU 3 33.347 12.081 -23.357
20 HA LEU 3 HA LEU 3 33.065 14.041 -21.386
21 HB2 LEU 3 1HB LEU 3 30.870 12.568 -22.856
22 HB3 LEU 3 2HB LEU 3 30.708 14.120 -22.036
23 HG LEU 3 HG LEU 3 32.592 13.579 -24.351
24 HD11 LEU 3 1HD1 LEU 3 30.283 13.514 -25.116
25 HD12 LEU 3 2HD1 LEU 3 30.997 15.051 -25.604
26 HD13 LEU 3 3HD1 LEU 3 29.909 14.985 -24.218
27 HD21 LEU 3 1HD2 LEU 3 33.482 15.359 -23.026
28 HD22 LEU 3 2HD2 LEU 3 31.881 16.045 -22.745
29 HD23 LEU 3 3HD2 LEU 3 32.615 16.145 -24.345
30 H LEU 4 H LEU 4 32.484 10.611 -21.153
31 HA LEU 4 HA LEU 4 30.553 10.558 -19.113
32 HB2 LEU 4 1HB LEU 4 32.753 8.642 -19.864
33 HB3 LEU 4 2HB LEU 4 31.617 8.308 -18.558
34 HG LEU 4 HG LEU 4 29.798 8.914 -20.351
35 HD11 LEU 4 1HD1 LEU 4 31.093 9.676 -22.171
36 HD12 LEU 4 2HD1 LEU 4 30.681 8.023 -22.623
37 HD13 LEU 4 3HD1 LEU 4 32.281 8.387 -21.980
38 HD21 LEU 4 1HD2 LEU 4 29.842 6.516 -21.129
39 HD22 LEU 4 2HD2 LEU 4 29.982 6.701 -19.380
40 HD23 LEU 4 3HD2 LEU 4 31.414 6.348 -20.347
41 H GLU 5 H GLU 5 33.974 11.269 -18.968
42 HA GLU 5 HA GLU 5 34.081 10.975 -16.072
43 HB2 GLU 5 1HB GLU 5 36.122 11.974 -18.063
44 HB3 GLU 5 2HB GLU 5 36.420 11.757 -16.337
45 HG2 GLU 5 1HG GLU 5 35.778 9.361 -16.561
46 HG3 GLU 5 2HG GLU 5 35.591 9.596 -18.293
47 H GLY 6 H GLY 6 33.377 13.523 -18.314
48 HA2 GLY 6 1HA GLY 6 33.913 15.612 -16.344
49 HA3 GLY 6 2HA GLY 6 33.406 15.854 -18.007
50 H GLU 7 H GLU 7 31.425 13.523 -16.483
51 HA GLU 7 HA GLU 7 29.225 15.437 -16.481
52 HB2 GLU 7 1HB GLU 7 29.048 13.158 -17.533
53 HB3 GLU 7 2HB GLU 7 29.161 12.465 -15.916
54 HG2 GLU 7 1HG GLU 7 27.164 13.781 -15.240
55 HG3 GLU 7 2HG GLU 7 27.034 14.397 -16.880
56 H ILE 8 H ILE 8 27.850 15.772 -14.680
57 HA ILE 8 HA ILE 8 29.339 15.918 -12.230
58 HB ILE 8 HB ILE 8 27.400 17.151 -11.366
59 HG12 ILE 8 1HG1 ILE 8 25.660 17.606 -13.404
60 HG13 ILE 8 2HG1 ILE 8 26.115 15.950 -13.787
61 HG21 ILE 8 1HG2 ILE 8 28.063 17.997 -14.195
62 HG22 ILE 8 2HG2 ILE 8 29.154 18.210 -12.826
63 HG23 ILE 8 3HG2 ILE 8 27.598 19.038 -12.850
64 HD11 ILE 8 1HD1 ILE 8 25.091 15.100 -11.917
65 HD12 ILE 8 2HD1 ILE 8 24.117 16.556 -12.093
66 HD13 ILE 8 3HD1 ILE 8 25.446 16.522 -10.937
67 HA PRO 9 HA PRO 9 27.715 12.130 -10.501
68 HB2 PRO 9 1HB PRO 9 27.830 12.663 -7.812
69 HB3 PRO 9 2HB PRO 9 29.250 12.239 -8.788
70 HG2 PRO 9 1HG PRO 9 28.325 14.907 -7.862
71 HG3 PRO 9 2HG PRO 9 29.971 14.256 -7.980
72 HD2 PRO 9 1HD PRO 9 28.947 15.974 -9.829
73 HD3 PRO 9 2HD PRO 9 30.156 14.736 -10.233
74 H PHE 10 H PHE 10 25.763 11.288 -9.659
75 HA PHE 10 HA PHE 10 23.471 12.810 -10.087
76 HB2 PHE 10 1HB PHE 10 23.956 10.249 -8.594
77 HB3 PHE 10 2HB PHE 10 22.355 10.959 -8.674
78 HD1 PHE 10 HD1 PHE 10 25.143 9.597 -10.723
79 HD2 PHE 10 HD2 PHE 10 21.006 10.745 -10.621
80 HE1 PHE 10 HE1 PHE 10 24.796 8.542 -12.942
81 HE2 PHE 10 HE2 PHE 10 20.658 9.691 -12.838
82 HZ PHE 10 HZ PHE 10 22.553 8.590 -13.999
83 HA PRO 11 HA PRO 11 23.204 15.522 -6.793
84 HB2 PRO 11 1HB PRO 11 20.487 15.491 -6.098
85 HB3 PRO 11 2HB PRO 11 21.256 16.464 -7.359
86 HG2 PRO 11 1HG PRO 11 19.689 13.985 -7.591
87 HG3 PRO 11 2HG PRO 11 19.879 15.324 -8.731
88 HD2 PRO 11 1HD PRO 11 21.112 12.896 -9.048
89 HD3 PRO 11 2HD PRO 11 21.751 14.417 -9.705
90 HA PRO 12 HA PRO 12 21.543 12.859 -3.017
91 HB2 PRO 12 1HB PRO 12 22.576 10.231 -3.979
92 HB3 PRO 12 2HB PRO 12 21.158 10.589 -2.975
93 HG2 PRO 12 1HG PRO 12 20.897 9.912 -5.526
94 HG3 PRO 12 2HG PRO 12 19.842 11.126 -4.777
95 HD2 PRO 12 1HD PRO 12 22.117 11.527 -6.668
96 HD3 PRO 12 2HD PRO 12 20.610 12.451 -6.503
97 H THR 13 H THR 13 22.976 12.976 -1.377
98 HA THR 13 HA THR 13 25.725 13.382 -1.733
99 HB THR 13 HB THR 13 24.543 14.175 0.238
100 HG1 THR 13 HG1 THR 13 26.364 12.200 1.097
101 HG21 THR 13 1HG2 THR 13 22.969 12.294 0.471
102 HG22 THR 13 2HG2 THR 13 23.830 12.581 1.984
103 HG23 THR 13 3HG2 THR 13 24.299 11.235 0.943
104 H SER 14 H SER 14 23.966 10.388 -1.584
105 HA SER 14 HA SER 14 25.815 8.790 -0.196
106 HB2 SER 14 1HB SER 14 23.475 8.122 -0.747
107 HB3 SER 14 2HB SER 14 23.967 7.919 -2.425
108 HG SER 14 HG SER 14 24.177 5.943 -1.451
109 H ILE 15 H ILE 15 25.699 9.774 -3.604
110 HA ILE 15 HA ILE 15 27.600 7.925 -4.586
111 HB ILE 15 HB ILE 15 27.202 10.787 -5.486
112 HG12 ILE 15 1HG1 ILE 15 25.059 9.611 -5.492
113 HG13 ILE 15 2HG1 ILE 15 25.628 9.820 -7.142
114 HG21 ILE 15 1HG2 ILE 15 29.210 9.799 -6.423
115 HG22 ILE 15 2HG2 ILE 15 27.972 9.857 -7.677
116 HG23 ILE 15 3HG2 ILE 15 28.329 8.336 -6.862
117 HD11 ILE 15 1HD1 ILE 15 25.081 7.363 -5.667
118 HD12 ILE 15 2HD1 ILE 15 26.690 7.340 -6.385
119 HD13 ILE 15 3HD1 ILE 15 25.275 7.605 -7.400
120 H LEU 16 H LEU 16 27.999 11.071 -2.970
121 HA LEU 16 HA LEU 16 30.808 11.218 -3.116
122 HB2 LEU 16 1HB LEU 16 29.281 13.035 -2.306
123 HB3 LEU 16 2HB LEU 16 29.071 12.124 -0.811
124 HG LEU 16 HG LEU 16 31.671 12.129 -0.706
125 HD11 LEU 16 1HD1 LEU 16 31.386 14.670 -2.285
126 HD12 LEU 16 2HD1 LEU 16 31.636 13.146 -3.134
127 HD13 LEU 16 3HD1 LEU 16 32.832 13.711 -1.969
128 HD21 LEU 16 1HD2 LEU 16 30.329 13.352 0.898
129 HD22 LEU 16 2HD2 LEU 16 29.975 14.608 -0.288
130 HD23 LEU 16 3HD2 LEU 16 31.612 14.426 0.341
131 H LEU 17 H LEU 17 28.667 9.475 -0.883
132 HA LEU 17 HA LEU 17 30.648 8.608 0.920
133 HB2 LEU 17 1HB LEU 17 28.158 8.329 1.215
134 HB3 LEU 17 2HB LEU 17 28.250 6.970 0.094
135 HG LEU 17 HG LEU 17 30.054 5.999 1.598
136 HD11 LEU 17 1HD1 LEU 17 29.120 8.344 3.248
137 HD12 LEU 17 2HD1 LEU 17 30.771 7.821 2.909
138 HD13 LEU 17 3HD1 LEU 17 29.764 6.896 4.023
139 HD21 LEU 17 1HD2 LEU 17 28.418 5.096 3.192
140 HD22 LEU 17 2HD2 LEU 17 27.691 5.214 1.589
141 HD23 LEU 17 3HD2 LEU 17 27.306 6.414 2.822
142 H LEU 18 H LEU 18 29.682 7.329 -2.234
143 HA LEU 18 HA LEU 18 31.192 4.948 -2.159
144 HB2 LEU 18 1HB LEU 18 30.611 6.711 -4.551
145 HB3 LEU 18 2HB LEU 18 31.135 5.029 -4.612
146 HG LEU 18 HG LEU 18 28.594 5.977 -3.255
147 HD11 LEU 18 1HD1 LEU 18 27.417 5.058 -5.174
148 HD12 LEU 18 2HD1 LEU 18 28.935 4.519 -5.893
149 HD13 LEU 18 3HD1 LEU 18 28.589 6.243 -5.752
150 HD21 LEU 18 1HD2 LEU 18 28.132 3.438 -3.504
151 HD22 LEU 18 2HD2 LEU 18 29.259 3.940 -2.243
152 HD23 LEU 18 3HD2 LEU 18 29.869 3.286 -3.763
153 H LEU 19 H LEU 19 32.123 8.267 -3.033
154 HA LEU 19 HA LEU 19 34.815 7.714 -3.678
155 HB2 LEU 19 1HB LEU 19 33.776 10.178 -2.260
156 HB3 LEU 19 2HB LEU 19 35.294 10.035 -3.139
157 HG LEU 19 HG LEU 19 32.553 9.650 -4.376
158 HD11 LEU 19 1HD1 LEU 19 32.672 11.837 -5.188
159 HD12 LEU 19 2HD1 LEU 19 34.420 11.929 -4.976
160 HD13 LEU 19 3HD1 LEU 19 33.354 12.023 -3.573
161 HD21 LEU 19 1HD2 LEU 19 34.135 8.394 -5.636
162 HD22 LEU 19 2HD2 LEU 19 35.381 9.629 -5.450
163 HD23 LEU 19 3HD2 LEU 19 33.992 9.928 -6.496
164 H ALA 20 H ALA 20 33.220 8.077 -0.548
165 HA ALA 20 HA ALA 20 35.508 8.012 1.088
166 HB1 ALA 20 1HB ALA 20 34.063 7.666 2.850
167 HB2 ALA 20 2HB ALA 20 33.044 6.553 1.938
168 HB3 ALA 20 3HB ALA 20 32.934 8.289 1.646
169 H CYS 21 H CYS 21 33.652 5.391 -0.417
170 HA CYS 21 HA CYS 21 35.000 3.230 0.783
171 HB2 CYS 21 1HB CYS 21 32.953 3.384 -0.942
172 HB3 CYS 21 2HB CYS 21 34.233 2.993 -2.089
173 HG CYS 21 HG CYS 21 34.419 0.697 -1.126
174 H ILE 22 H ILE 22 35.790 5.165 -2.092
175 HA ILE 22 HA ILE 22 38.101 3.748 -2.870
176 HB ILE 22 HB ILE 22 37.662 6.737 -3.055
177 HG12 ILE 22 1HG1 ILE 22 35.749 5.545 -4.023
178 HG13 ILE 22 2HG1 ILE 22 36.727 6.264 -5.297
179 HG21 ILE 22 1HG2 ILE 22 39.518 4.781 -4.389
180 HG22 ILE 22 2HG2 ILE 22 39.891 6.341 -3.655
181 HG23 ILE 22 3HG2 ILE 22 39.053 6.274 -5.205
182 HD11 ILE 22 1HD1 ILE 22 37.827 4.051 -5.658
183 HD12 ILE 22 2HD1 ILE 22 36.089 3.993 -5.931
184 HD13 ILE 22 3HD1 ILE 22 36.766 3.354 -4.435
185 H PHE 23 H PHE 23 37.637 6.267 -0.407
186 HA PHE 23 HA PHE 23 40.348 6.601 0.286
187 HB2 PHE 23 1HB PHE 23 38.413 7.981 1.126
188 HB3 PHE 23 2HB PHE 23 38.040 6.666 2.224
189 HD1 PHE 23 HD1 PHE 23 40.502 9.286 1.371
190 HD2 PHE 23 HD2 PHE 23 39.362 6.260 4.197
191 HE1 PHE 23 HE1 PHE 23 42.130 10.198 3.003
192 HE2 PHE 23 HE2 PHE 23 40.991 7.171 5.830
193 HZ PHE 23 HZ PHE 23 42.375 9.141 5.233
194 H LEU 24 H LEU 24 38.005 4.116 1.232
195 HA LEU 24 HA LEU 24 39.562 2.839 3.200
196 HB2 LEU 24 1HB LEU 24 37.165 2.304 2.626
197 HB3 LEU 24 2HB LEU 24 37.766 1.433 1.215
198 HG LEU 24 HG LEU 24 39.299 0.203 2.929
199 HD11 LEU 24 1HD1 LEU 24 37.044 0.786 4.825
200 HD12 LEU 24 2HD1 LEU 24 38.398 1.911 4.728
201 HD13 LEU 24 3HD1 LEU 24 38.681 0.229 5.175
202 HD21 LEU 24 1HD2 LEU 24 36.311 -0.207 2.651
203 HD22 LEU 24 2HD2 LEU 24 37.362 -1.379 3.447
204 HD23 LEU 24 3HD2 LEU 24 37.598 -0.999 1.740
205 H ILE 25 H ILE 25 39.607 2.556 -0.339
206 HA ILE 25 HA ILE 25 41.516 0.482 -0.510
207 HB ILE 25 HB ILE 25 41.198 2.825 -2.406
208 HG12 ILE 25 1HG1 ILE 25 39.907 0.081 -2.496
209 HG13 ILE 25 2HG1 ILE 25 39.084 1.535 -1.928
210 HG21 ILE 25 1HG2 ILE 25 42.173 1.325 -4.059
211 HG22 ILE 25 2HG2 ILE 25 42.252 0.020 -2.875
212 HG23 ILE 25 3HG2 ILE 25 43.270 1.448 -2.683
213 HD11 ILE 25 1HD1 ILE 25 38.496 1.268 -4.243
214 HD12 ILE 25 2HD1 ILE 25 40.178 1.008 -4.701
215 HD13 ILE 25 3HD1 ILE 25 39.647 2.600 -4.159
216 H LYS 26 H LYS 26 41.913 3.985 -0.075
217 HA LYS 26 HA LYS 26 44.723 4.055 -0.264
218 HB2 LYS 26 1HB LYS 26 43.258 6.076 -0.152
219 HB3 LYS 26 2HB LYS 26 43.020 5.759 1.565
220 HG2 LYS 26 1HG LYS 26 44.790 7.335 1.479
221 HG3 LYS 26 2HG LYS 26 45.578 5.785 1.769
222 HD2 LYS 26 1HD LYS 26 46.120 5.576 -0.607
223 HD3 LYS 26 2HD LYS 26 45.249 7.070 -0.958
224 HE2 LYS 26 1HE LYS 26 46.820 8.248 0.637
225 HE3 LYS 26 2HE LYS 26 47.764 6.758 0.699
226 HZ1 LYS 26 1HZ LYS 26 48.199 6.887 -1.606
227 HZ2 LYS 26 2HZ LYS 26 48.517 8.432 -0.976
228 HZ3 LYS 26 3HZ LYS 26 47.078 8.141 -1.832
229 H ILE 27 H ILE 27 42.612 3.204 2.452
230 HA ILE 27 HA ILE 27 44.630 2.921 4.403
231 HB ILE 27 HB ILE 27 42.135 1.224 4.138
232 HG12 ILE 27 1HG1 ILE 27 42.580 3.817 5.653
233 HG13 ILE 27 2HG1 ILE 27 41.712 3.698 4.124
234 HG21 ILE 27 1HG2 ILE 27 43.798 1.963 6.563
235 HG22 ILE 27 2HG2 ILE 27 43.881 0.408 5.736
236 HG23 ILE 27 3HG2 ILE 27 42.390 0.901 6.538
237 HD11 ILE 27 1HD1 ILE 27 40.888 2.802 6.848
238 HD12 ILE 27 2HD1 ILE 27 40.356 1.824 5.480
239 HD13 ILE 27 3HD1 ILE 27 39.923 3.531 5.566
240 H LEU 28 H LEU 28 43.570 0.731 1.831
241 HA LEU 28 HA LEU 28 45.159 -1.492 2.500
242 HB2 LEU 28 1HB LEU 28 43.440 -0.979 0.506
243 HB3 LEU 28 2HB LEU 28 44.934 -0.691 -0.369
244 HG LEU 28 HG LEU 28 44.273 -2.998 -0.682
245 HD11 LEU 28 1HD1 LEU 28 46.746 -2.351 -0.125
246 HD12 LEU 28 2HD1 LEU 28 46.289 -4.052 -0.192
247 HD13 LEU 28 3HD1 LEU 28 46.451 -3.244 1.367
248 HD21 LEU 28 1HD2 LEU 28 42.961 -2.972 1.560
249 HD22 LEU 28 2HD2 LEU 28 44.482 -3.504 2.277
250 HD23 LEU 28 3HD2 LEU 28 43.701 -4.485 1.038
251 H ALA 29 H ALA 29 45.986 1.508 0.810
252 HA ALA 29 HA ALA 29 48.706 0.943 0.308
253 HB1 ALA 29 1HB ALA 29 47.194 3.011 -0.325
254 HB2 ALA 29 2HB ALA 29 48.940 3.194 -0.157
255 HB3 ALA 29 3HB ALA 29 47.872 3.686 1.157
256 H ALA 30 H ALA 30 47.066 2.102 3.218
257 HA ALA 30 HA ALA 30 49.323 2.713 4.769
258 HB1 ALA 30 1HB ALA 30 47.885 2.806 6.573
259 HB2 ALA 30 2HB ALA 30 46.963 1.397 6.047
260 HB3 ALA 30 3HB ALA 30 46.733 2.950 5.245
261 H SER 31 H SER 31 47.745 -0.385 4.124
262 HA SER 31 HA SER 31 49.221 -1.990 5.900
263 HB2 SER 31 1HB SER 31 48.263 -2.730 3.124
264 HB3 SER 31 2HB SER 31 48.686 -3.849 4.416
265 HG SER 31 HG SER 31 46.962 -3.068 5.608
266 H ALA 32 H ALA 32 50.048 -0.714 2.695
267 HA ALA 32 HA ALA 32 52.451 -2.156 2.327
268 HB1 ALA 32 1HB ALA 32 52.236 0.697 1.444
269 HB2 ALA 32 2HB ALA 32 51.146 -0.497 0.741
270 HB3 ALA 32 3HB ALA 32 52.891 -0.695 0.583
271 H LEU 33 H LEU 33 51.766 0.914 3.989
272 HA LEU 33 HA LEU 33 54.415 1.561 4.687
273 HB2 LEU 33 1HB LEU 33 51.906 2.082 6.299
274 HB3 LEU 33 2HB LEU 33 53.443 2.928 6.462
275 HG LEU 33 HG LEU 33 51.746 2.883 3.947
276 HD11 LEU 33 1HD1 LEU 33 51.331 5.271 4.513
277 HD12 LEU 33 2HD1 LEU 33 52.180 5.038 6.041
278 HD13 LEU 33 3HD1 LEU 33 50.673 4.177 5.729
279 HD21 LEU 33 1HD2 LEU 33 54.370 4.175 4.701
280 HD22 LEU 33 2HD2 LEU 33 53.351 4.859 3.435
281 HD23 LEU 33 3HD2 LEU 33 53.987 3.223 3.266
282 H TRP 34 H TRP 34 52.070 -0.601 6.247
283 HA TRP 34 HA TRP 34 53.585 -1.230 8.536
284 HB2 TRP 34 1HB TRP 34 51.220 -1.938 8.090
285 HB3 TRP 34 2HB TRP 34 51.848 -3.150 6.991
286 HD1 TRP 34 HD1 TRP 34 52.515 -5.395 7.992
287 HE1 TRP 34 HE1 TRP 34 52.729 -6.335 10.381
288 HE3 TRP 34 HE3 TRP 34 51.906 -1.100 10.684
289 HZ2 TRP 34 HZ2 TRP 34 52.651 -5.388 13.084
290 HZ3 TRP 34 HZ3 TRP 34 51.981 -1.146 13.158
291 HH2 TRP 34 HH2 TRP 34 52.352 -3.280 14.361
292 H ALA 35 H ALA 35 53.814 -2.431 5.220
293 HA ALA 35 HA ALA 35 55.721 -4.454 5.657
294 HB1 ALA 35 1HB ALA 35 56.033 -4.468 3.359
295 HB2 ALA 35 2HB ALA 35 55.872 -2.718 3.222
296 HB3 ALA 35 3HB ALA 35 54.442 -3.718 3.483
297 H ALA 36 H ALA 36 56.103 -0.965 5.203
298 HA ALA 36 HA ALA 36 58.915 -0.889 5.088
299 HB1 ALA 36 1HB ALA 36 58.737 1.408 5.419
300 HB2 ALA 36 2HB ALA 36 57.369 1.245 6.520
301 HB3 ALA 36 3HB ALA 36 57.139 1.011 4.787
302 H ALA 37 H ALA 37 56.709 -0.879 7.863
303 HA ALA 37 HA ALA 37 58.665 -0.681 9.888
304 HB1 ALA 37 1HB ALA 37 56.208 -2.346 10.276
305 HB2 ALA 37 2HB ALA 37 56.045 -0.612 9.998
306 HB3 ALA 37 3HB ALA 37 56.970 -1.201 11.379
307 H TRP 38 H TRP 38 57.362 -3.486 8.175
308 HA TRP 38 HA TRP 38 58.543 -5.525 9.653
309 HB2 TRP 38 1HB TRP 38 56.873 -5.841 7.850
310 HB3 TRP 38 2HB TRP 38 58.119 -5.491 6.668
311 HD1 TRP 38 HD1 TRP 38 59.507 -7.456 5.838
312 HE1 TRP 38 HE1 TRP 38 59.761 -9.929 6.514
313 HE3 TRP 38 HE3 TRP 38 56.774 -7.474 10.151
314 HZ2 TRP 38 HZ2 TRP 38 58.915 -11.687 8.611
315 HZ3 TRP 38 HZ3 TRP 38 56.515 -9.556 11.465
316 HH2 TRP 38 HH2 TRP 38 57.580 -11.660 10.705
317 H HIS 39 H HIS 39 60.012 -3.471 7.167
318 HA HIS 39 HA HIS 39 62.535 -4.867 7.295
319 HB2 HIS 39 1HB HIS 39 61.845 -2.083 6.337
320 HB3 HIS 39 2HB HIS 39 63.416 -2.838 6.153
321 HD1 HIS 39 HD1 HIS 39 63.341 -5.175 4.697
322 HD2 HIS 39 HD2 HIS 39 60.129 -2.557 4.237
323 HE1 HIS 39 HE1 HIS 39 62.182 -5.836 2.546
324 H GLY 40 H GLY 40 61.753 -1.512 8.264
325 HA2 GLY 40 1HA GLY 40 62.605 -2.207 10.985
326 HA3 GLY 40 2HA GLY 40 63.340 -0.796 10.227
327 H GLN 41 H GLN 41 60.737 -1.805 12.136
328 HA GLN 41 HA GLN 41 58.909 0.227 11.791
329 HB2 GLN 41 1HB GLN 41 58.793 -1.522 13.562
330 HB3 GLN 41 2HB GLN 41 60.044 -0.657 14.455
331 HG2 GLN 41 1HG GLN 41 58.608 1.330 14.584
332 HG3 GLN 41 2HG GLN 41 57.364 0.507 13.650
333 HE21 GLN 41 1HE2 GLN 41 56.572 1.415 16.115
334 HE22 GLN 41 2HE2 GLN 41 56.422 0.133 17.215
335 H LYS 42 H LYS 42 58.780 2.379 12.285
336 HA LYS 42 HA LYS 42 59.623 4.527 12.271
337 HB2 LYS 42 1HB LYS 42 60.271 3.307 14.935
338 HB3 LYS 42 2HB LYS 42 60.609 5.007 14.609
339 HG2 LYS 42 1HG LYS 42 58.191 5.204 13.821
340 HG3 LYS 42 2HG LYS 42 57.931 3.605 14.518
341 HD2 LYS 42 1HD LYS 42 57.318 5.146 16.230
342 HD3 LYS 42 2HD LYS 42 58.914 4.546 16.686
343 HE2 LYS 42 1HE LYS 42 59.990 6.532 15.925
344 HE3 LYS 42 2HE LYS 42 58.547 7.073 15.068
345 HZ1 LYS 42 1HZ LYS 42 58.269 6.593 17.927
346 HZ2 LYS 42 2HZ LYS 42 57.583 7.806 16.955
347 HZ3 LYS 42 3HZ LYS 42 59.195 7.942 17.476
348 HA PRO 43 HA PRO 43 64.042 3.042 11.264
349 HB2 PRO 43 1HB PRO 43 63.576 4.595 8.772
350 HB3 PRO 43 2HB PRO 43 64.271 2.979 8.986
351 HG2 PRO 43 1HG PRO 43 61.820 3.356 7.997
352 HG3 PRO 43 2HG PRO 43 62.237 1.954 8.996
353 HD2 PRO 43 1HD PRO 43 60.659 4.378 9.730
354 HD3 PRO 43 2HD PRO 43 60.500 2.703 10.302
355 H GLY 44 H GLY 44 65.850 4.257 11.643
356 HA2 GLY 44 1HA GLY 44 65.691 6.843 12.701
357 HA3 GLY 44 2HA GLY 44 67.170 6.067 12.153
358 H THR 45 H THR 45 66.031 5.807 9.370
359 HA THR 45 HA THR 45 67.227 8.065 8.240
360 HB THR 45 HB THR 45 65.078 6.344 6.982
361 HG1 THR 45 HG1 THR 45 66.538 4.851 6.846
362 HG21 THR 45 1HG2 THR 45 67.352 7.964 5.797
363 HG22 THR 45 2HG2 THR 45 65.644 8.399 5.735
364 HG23 THR 45 3HG2 THR 45 66.219 6.963 4.888
365 H HIS 46 H HIS 46 66.457 9.975 7.407
366 HA HIS 46 HA HIS 46 64.240 11.182 8.687
367 HB2 HIS 46 1HB HIS 46 64.618 13.033 7.095
368 HB3 HIS 46 2HB HIS 46 66.088 12.515 7.897
369 HD1 HIS 46 HD1 HIS 46 67.662 10.869 6.396
370 HD2 HIS 46 HD2 HIS 46 64.770 13.054 4.337
371 HE1 HIS 46 HE1 HIS 46 68.340 10.832 3.958
Start of MODEL 16
1 H ARG 1 3H ARG 1 39.660 30.226 -7.403
2 HA ARG 1 HA ARG 1 38.280 28.459 -7.426
3 HB2 ARG 1 1HB ARG 1 36.478 30.720 -8.347
4 HB3 ARG 1 2HB ARG 1 35.921 29.225 -7.594
5 HG2 ARG 1 1HG ARG 1 37.270 29.741 -5.585
6 HG3 ARG 1 2HG ARG 1 37.789 31.252 -6.331
7 HD2 ARG 1 1HD ARG 1 35.950 31.777 -4.870
8 HD3 ARG 1 2HD ARG 1 35.358 31.894 -6.525
9 HE ARG 1 HE ARG 1 34.916 29.274 -5.564
10 HH11 ARG 1 1HH1 ARG 1 33.701 32.532 -5.076
11 HH12 ARG 1 2HH1 ARG 1 32.136 31.980 -4.579
12 HH21 ARG 1 1HH2 ARG 1 32.883 28.625 -4.915
13 HH22 ARG 1 2HH2 ARG 1 31.681 29.796 -4.489
14 H SER 2 H SER 2 39.131 27.172 -9.128
15 HA SER 2 HA SER 2 38.592 27.454 -11.855
16 HB2 SER 2 1HB SER 2 40.248 25.869 -10.786
17 HB3 SER 2 2HB SER 2 38.888 24.820 -10.404
18 HG SER 2 HG SER 2 39.321 25.806 -13.016
19 H LEU 3 H LEU 3 37.018 26.641 -13.217
20 HA LEU 3 HA LEU 3 34.374 26.583 -12.319
21 HB2 LEU 3 1HB LEU 3 35.121 27.014 -14.658
22 HB3 LEU 3 2HB LEU 3 35.455 25.292 -14.829
23 HG LEU 3 HG LEU 3 33.051 24.845 -14.206
24 HD11 LEU 3 1HD1 LEU 3 32.418 26.837 -13.061
25 HD12 LEU 3 2HD1 LEU 3 31.537 26.883 -14.588
26 HD13 LEU 3 3HD1 LEU 3 32.988 27.863 -14.378
27 HD21 LEU 3 1HD2 LEU 3 33.763 24.825 -16.549
28 HD22 LEU 3 2HD2 LEU 3 33.588 26.578 -16.639
29 HD23 LEU 3 3HD2 LEU 3 32.164 25.559 -16.425
30 H LEU 4 H LEU 4 36.720 23.987 -12.443
31 HA LEU 4 HA LEU 4 35.000 21.770 -12.555
32 HB2 LEU 4 1HB LEU 4 37.723 22.162 -11.333
33 HB3 LEU 4 2HB LEU 4 36.892 20.606 -11.295
34 HG LEU 4 HG LEU 4 36.574 21.007 -13.862
35 HD11 LEU 4 1HD1 LEU 4 37.354 23.228 -14.121
36 HD12 LEU 4 2HD1 LEU 4 38.682 22.232 -14.716
37 HD13 LEU 4 3HD1 LEU 4 38.764 22.940 -13.103
38 HD21 LEU 4 1HD2 LEU 4 39.409 20.459 -12.999
39 HD22 LEU 4 2HD2 LEU 4 38.465 19.662 -14.257
40 HD23 LEU 4 3HD2 LEU 4 38.110 19.351 -12.557
41 H GLU 5 H GLU 5 35.698 23.944 -9.920
42 HA GLU 5 HA GLU 5 34.609 22.152 -7.904
43 HB2 GLU 5 1HB GLU 5 35.553 25.016 -7.736
44 HB3 GLU 5 2HB GLU 5 35.041 24.040 -6.359
45 HG2 GLU 5 1HG GLU 5 36.794 22.369 -6.930
46 HG3 GLU 5 2HG GLU 5 37.339 23.417 -8.232
47 H GLY 6 H GLY 6 33.334 24.570 -10.018
48 HA2 GLY 6 1HA GLY 6 31.061 25.134 -8.280
49 HA3 GLY 6 2HA GLY 6 31.404 25.888 -9.825
50 H GLU 7 H GLU 7 31.644 22.535 -10.252
51 HA GLU 7 HA GLU 7 29.043 22.499 -11.571
52 HB2 GLU 7 1HB GLU 7 31.108 21.578 -12.667
53 HB3 GLU 7 2HB GLU 7 31.135 20.316 -11.434
54 HG2 GLU 7 1HG GLU 7 28.833 19.650 -12.107
55 HG3 GLU 7 2HG GLU 7 28.880 20.854 -13.386
56 H ILE 8 H ILE 8 27.399 20.999 -11.077
57 HA ILE 8 HA ILE 8 27.227 20.484 -8.253
58 HB ILE 8 HB ILE 8 25.245 19.867 -10.457
59 HG12 ILE 8 1HG1 ILE 8 24.161 21.958 -9.175
60 HG13 ILE 8 2HG1 ILE 8 25.850 22.301 -8.809
61 HG21 ILE 8 1HG2 ILE 8 23.614 19.636 -8.684
62 HG22 ILE 8 2HG2 ILE 8 24.803 20.099 -7.466
63 HG23 ILE 8 3HG2 ILE 8 24.967 18.566 -8.318
64 HD11 ILE 8 1HD1 ILE 8 26.396 22.668 -11.031
65 HD12 ILE 8 2HD1 ILE 8 24.727 23.234 -11.015
66 HD13 ILE 8 3HD1 ILE 8 25.105 21.625 -11.629
67 HA PRO 9 HA PRO 9 28.342 16.079 -8.663
68 HB2 PRO 9 1HB PRO 9 27.124 15.108 -6.400
69 HB3 PRO 9 2HB PRO 9 28.706 15.910 -6.399
70 HG2 PRO 9 1HG PRO 9 26.034 17.008 -5.697
71 HG3 PRO 9 2HG PRO 9 27.609 17.285 -4.931
72 HD2 PRO 9 1HD PRO 9 26.496 19.097 -6.613
73 HD3 PRO 9 2HD PRO 9 28.253 18.872 -6.489
74 H PHE 10 H PHE 10 27.254 14.124 -9.311
75 HA PHE 10 HA PHE 10 24.832 14.424 -10.656
76 HB2 PHE 10 1HB PHE 10 25.983 11.864 -9.537
77 HB3 PHE 10 2HB PHE 10 24.764 11.979 -10.791
78 HD1 PHE 10 HD1 PHE 10 28.323 12.500 -9.966
79 HD2 PHE 10 HD2 PHE 10 25.352 12.560 -13.067
80 HE1 PHE 10 HE1 PHE 10 30.114 12.593 -11.680
81 HE2 PHE 10 HE2 PHE 10 27.142 12.654 -14.782
82 HZ PHE 10 HZ PHE 10 29.523 12.670 -14.088
83 HA PRO 11 HA PRO 11 21.848 14.924 -7.719
84 HB2 PRO 11 1HB PRO 11 20.033 12.853 -8.826
85 HB3 PRO 11 2HB PRO 11 19.783 14.596 -8.617
86 HG2 PRO 11 1HG PRO 11 20.214 13.491 -11.010
87 HG3 PRO 11 2HG PRO 11 20.786 15.117 -10.596
88 HD2 PRO 11 1HD PRO 11 22.343 12.583 -10.845
89 HD3 PRO 11 2HD PRO 11 22.832 14.259 -11.184
90 HA PRO 12 HA PRO 12 21.233 10.620 -5.512
91 HB2 PRO 12 1HB PRO 12 23.615 9.184 -6.568
92 HB3 PRO 12 2HB PRO 12 22.003 8.560 -6.168
93 HG2 PRO 12 1HG PRO 12 22.791 8.862 -8.689
94 HG3 PRO 12 2HG PRO 12 21.115 9.161 -8.192
95 HD2 PRO 12 1HD PRO 12 23.262 11.142 -8.842
96 HD3 PRO 12 2HD PRO 12 21.513 11.232 -9.148
97 H THR 13 H THR 13 21.975 10.993 -3.477
98 HA THR 13 HA THR 13 24.451 12.151 -2.793
99 HB THR 13 HB THR 13 22.577 12.095 -1.240
100 HG1 THR 13 HG1 THR 13 23.839 11.816 0.458
101 HG21 THR 13 1HG2 THR 13 21.950 9.966 -0.139
102 HG22 THR 13 2HG2 THR 13 23.060 9.102 -1.203
103 HG23 THR 13 3HG2 THR 13 21.646 9.915 -1.876
104 H SER 14 H SER 14 23.697 8.895 -3.747
105 HA SER 14 HA SER 14 25.415 7.471 -2.043
106 HB2 SER 14 1HB SER 14 24.577 6.743 -4.858
107 HB3 SER 14 2HB SER 14 25.190 5.638 -3.631
108 HG SER 14 HG SER 14 22.717 6.265 -4.027
109 H ILE 15 H ILE 15 26.055 9.155 -5.095
110 HA ILE 15 HA ILE 15 28.505 7.870 -5.669
111 HB ILE 15 HB ILE 15 29.010 9.750 -7.121
112 HG12 ILE 15 1HG1 ILE 15 26.618 11.126 -5.854
113 HG13 ILE 15 2HG1 ILE 15 28.296 11.550 -5.536
114 HG21 ILE 15 1HG2 ILE 15 27.314 8.095 -7.834
115 HG22 ILE 15 2HG2 ILE 15 26.983 9.693 -8.502
116 HG23 ILE 15 3HG2 ILE 15 26.049 9.100 -7.128
117 HD11 ILE 15 1HD1 ILE 15 26.701 12.626 -7.536
118 HD12 ILE 15 2HD1 ILE 15 27.721 11.489 -8.413
119 HD13 ILE 15 3HD1 ILE 15 28.452 12.754 -7.429
120 H LEU 16 H LEU 16 27.750 10.611 -3.544
121 HA LEU 16 HA LEU 16 30.407 11.282 -2.861
122 HB2 LEU 16 1HB LEU 16 28.409 12.616 -2.229
123 HB3 LEU 16 2HB LEU 16 27.958 11.354 -1.084
124 HG LEU 16 HG LEU 16 30.229 11.666 -0.001
125 HD11 LEU 16 1HD1 LEU 16 31.081 14.114 -0.526
126 HD12 LEU 16 2HD1 LEU 16 30.292 13.832 -2.077
127 HD13 LEU 16 3HD1 LEU 16 31.586 12.763 -1.538
128 HD21 LEU 16 1HD2 LEU 16 28.515 14.165 -0.040
129 HD22 LEU 16 2HD2 LEU 16 29.501 13.565 1.293
130 HD23 LEU 16 3HD2 LEU 16 28.051 12.688 0.805
131 H LEU 17 H LEU 17 28.206 8.791 -1.625
132 HA LEU 17 HA LEU 17 29.829 7.890 0.494
133 HB2 LEU 17 1HB LEU 17 27.448 7.207 0.078
134 HB3 LEU 17 2HB LEU 17 28.034 6.148 -1.205
135 HG LEU 17 HG LEU 17 29.581 5.101 0.513
136 HD11 LEU 17 1HD1 LEU 17 28.630 5.422 2.907
137 HD12 LEU 17 2HD1 LEU 17 27.922 6.906 2.271
138 HD13 LEU 17 3HD1 LEU 17 29.672 6.688 2.258
139 HD21 LEU 17 1HD2 LEU 17 27.686 3.817 1.605
140 HD22 LEU 17 2HD2 LEU 17 27.590 3.912 -0.153
141 HD23 LEU 17 3HD2 LEU 17 26.571 4.951 0.844
142 H LEU 18 H LEU 18 29.882 7.095 -2.956
143 HA LEU 18 HA LEU 18 31.748 4.986 -2.808
144 HB2 LEU 18 1HB LEU 18 30.955 6.918 -4.956
145 HB3 LEU 18 2HB LEU 18 32.373 5.911 -5.202
146 HG LEU 18 HG LEU 18 30.299 4.924 -6.150
147 HD11 LEU 18 1HD1 LEU 18 32.286 3.596 -5.125
148 HD12 LEU 18 2HD1 LEU 18 30.798 2.733 -5.517
149 HD13 LEU 18 3HD1 LEU 18 31.141 3.189 -3.848
150 HD21 LEU 18 1HD2 LEU 18 28.582 4.019 -4.640
151 HD22 LEU 18 2HD2 LEU 18 28.698 5.769 -4.476
152 HD23 LEU 18 3HD2 LEU 18 29.419 4.719 -3.254
153 H LEU 19 H LEU 19 32.219 8.497 -2.963
154 HA LEU 19 HA LEU 19 35.035 8.472 -3.099
155 HB2 LEU 19 1HB LEU 19 33.239 10.462 -1.689
156 HB3 LEU 19 2HB LEU 19 34.928 10.729 -2.124
157 HG LEU 19 HG LEU 19 32.743 10.071 -4.120
158 HD11 LEU 19 1HD1 LEU 19 32.173 12.237 -3.481
159 HD12 LEU 19 2HD1 LEU 19 33.336 12.565 -4.765
160 HD13 LEU 19 3HD1 LEU 19 33.834 12.667 -3.076
161 HD21 LEU 19 1HD2 LEU 19 34.833 9.405 -5.027
162 HD22 LEU 19 2HD2 LEU 19 35.671 10.786 -4.321
163 HD23 LEU 19 3HD2 LEU 19 34.571 11.023 -5.679
164 H ALA 20 H ALA 20 32.858 8.084 -0.344
165 HA ALA 20 HA ALA 20 34.803 8.109 1.695
166 HB1 ALA 20 1HB ALA 20 33.182 7.122 3.078
167 HB2 ALA 20 2HB ALA 20 32.437 6.250 1.738
168 HB3 ALA 20 3HB ALA 20 32.225 7.995 1.882
169 H CYS 21 H CYS 21 33.675 5.490 -0.413
170 HA CYS 21 HA CYS 21 35.157 3.399 0.749
171 HB2 CYS 21 1HB CYS 21 34.428 3.788 -2.164
172 HB3 CYS 21 2HB CYS 21 34.935 2.270 -1.424
173 HG CYS 21 HG CYS 21 32.734 2.680 0.201
174 H ILE 22 H ILE 22 36.062 5.821 -1.680
175 HA ILE 22 HA ILE 22 38.596 4.781 -2.330
176 HB ILE 22 HB ILE 22 37.746 7.687 -2.212
177 HG12 ILE 22 1HG1 ILE 22 37.723 5.746 -4.543
178 HG13 ILE 22 2HG1 ILE 22 36.292 6.174 -3.606
179 HG21 ILE 22 1HG2 ILE 22 39.945 6.313 -3.792
180 HG22 ILE 22 2HG2 ILE 22 40.200 7.355 -2.392
181 HG23 ILE 22 3HG2 ILE 22 39.525 8.024 -3.877
182 HD11 ILE 22 1HD1 ILE 22 36.863 8.618 -4.152
183 HD12 ILE 22 2HD1 ILE 22 36.254 7.634 -5.483
184 HD13 ILE 22 3HD1 ILE 22 37.980 7.971 -5.353
185 H PHE 23 H PHE 23 37.554 6.861 0.367
186 HA PHE 23 HA PHE 23 40.107 7.292 1.488
187 HB2 PHE 23 1HB PHE 23 37.984 8.365 2.253
188 HB3 PHE 23 2HB PHE 23 37.536 6.847 3.005
189 HD1 PHE 23 HD1 PHE 23 39.920 9.676 3.087
190 HD2 PHE 23 HD2 PHE 23 38.506 6.151 5.093
191 HE1 PHE 23 HE1 PHE 23 41.174 10.333 5.123
192 HE2 PHE 23 HE2 PHE 23 39.759 6.808 7.131
193 HZ PHE 23 HZ PHE 23 41.093 8.899 7.145
194 H LEU 24 H LEU 24 37.925 4.511 1.684
195 HA LEU 24 HA LEU 24 39.244 3.175 3.788
196 HB2 LEU 24 1HB LEU 24 36.982 2.597 2.896
197 HB3 LEU 24 2HB LEU 24 37.765 1.902 1.479
198 HG LEU 24 HG LEU 24 39.129 0.497 3.194
199 HD11 LEU 24 1HD1 LEU 24 36.699 1.054 4.901
200 HD12 LEU 24 2HD1 LEU 24 38.214 1.928 5.122
201 HD13 LEU 24 3HD1 LEU 24 38.165 0.180 5.344
202 HD21 LEU 24 1HD2 LEU 24 37.344 -1.202 3.245
203 HD22 LEU 24 2HD2 LEU 24 37.409 -0.415 1.668
204 HD23 LEU 24 3HD2 LEU 24 36.154 0.030 2.825
205 H ILE 25 H ILE 25 39.730 2.999 0.259
206 HA ILE 25 HA ILE 25 41.734 1.001 0.438
207 HB ILE 25 HB ILE 25 42.425 1.565 -1.817
208 HG12 ILE 25 1HG1 ILE 25 40.373 3.751 -1.912
209 HG13 ILE 25 2HG1 ILE 25 42.017 4.123 -1.387
210 HG21 ILE 25 1HG2 ILE 25 39.418 1.687 -1.471
211 HG22 ILE 25 2HG2 ILE 25 40.387 0.214 -1.413
212 HG23 ILE 25 3HG2 ILE 25 40.282 1.142 -2.909
213 HD11 ILE 25 1HD1 ILE 25 41.207 2.843 -4.014
214 HD12 ILE 25 2HD1 ILE 25 42.873 3.088 -3.489
215 HD13 ILE 25 3HD1 ILE 25 41.832 4.478 -3.795
216 H LYS 26 H LYS 26 41.924 4.506 0.788
217 HA LYS 26 HA LYS 26 44.725 4.737 0.762
218 HB2 LYS 26 1HB LYS 26 43.135 6.654 0.848
219 HB3 LYS 26 2HB LYS 26 42.794 6.255 2.531
220 HG2 LYS 26 1HG LYS 26 44.453 7.953 2.625
221 HG3 LYS 26 2HG LYS 26 45.324 6.452 2.927
222 HD2 LYS 26 1HD LYS 26 46.042 6.358 0.589
223 HD3 LYS 26 2HD LYS 26 45.105 7.808 0.225
224 HE2 LYS 26 1HE LYS 26 47.370 8.527 0.545
225 HE3 LYS 26 2HE LYS 26 46.482 9.005 1.991
226 HZ1 LYS 26 1HZ LYS 26 48.763 7.590 2.004
227 HZ2 LYS 26 2HZ LYS 26 47.606 6.349 2.095
228 HZ3 LYS 26 3HZ LYS 26 47.624 7.585 3.261
229 H ILE 27 H ILE 27 42.512 3.713 3.344
230 HA ILE 27 HA ILE 27 44.438 3.461 5.394
231 HB ILE 27 HB ILE 27 42.020 1.694 4.937
232 HG12 ILE 27 1HG1 ILE 27 42.282 4.221 6.592
233 HG13 ILE 27 2HG1 ILE 27 41.545 4.167 4.991
234 HG21 ILE 27 1HG2 ILE 27 43.543 2.380 7.468
235 HG22 ILE 27 2HG2 ILE 27 43.664 0.847 6.606
236 HG23 ILE 27 3HG2 ILE 27 42.138 1.321 7.352
237 HD11 ILE 27 1HD1 ILE 27 40.563 2.975 7.566
238 HD12 ILE 27 2HD1 ILE 27 40.100 2.233 6.035
239 HD13 ILE 27 3HD1 ILE 27 39.676 3.913 6.364
240 H LEU 28 H LEU 28 43.544 1.263 2.761
241 HA LEU 28 HA LEU 28 45.176 -0.910 3.491
242 HB2 LEU 28 1HB LEU 28 43.459 -0.768 1.608
243 HB3 LEU 28 2HB LEU 28 44.732 -0.028 0.641
244 HG LEU 28 HG LEU 28 45.386 -2.575 2.075
245 HD11 LEU 28 1HD1 LEU 28 44.372 -3.969 0.422
246 HD12 LEU 28 2HD1 LEU 28 43.934 -2.583 -0.578
247 HD13 LEU 28 3HD1 LEU 28 43.112 -2.858 0.957
248 HD21 LEU 28 1HD2 LEU 28 46.466 -2.840 -0.346
249 HD22 LEU 28 2HD2 LEU 28 47.224 -1.819 0.869
250 HD23 LEU 28 3HD2 LEU 28 46.231 -1.093 -0.391
251 H ALA 29 H ALA 29 45.967 2.103 1.832
252 HA ALA 29 HA ALA 29 48.615 1.475 1.103
253 HB1 ALA 29 1HB ALA 29 47.136 3.560 0.549
254 HB2 ALA 29 2HB ALA 29 48.887 3.740 0.660
255 HB3 ALA 29 3HB ALA 29 47.862 4.232 2.009
256 H ALA 30 H ALA 30 47.273 2.766 4.120
257 HA ALA 30 HA ALA 30 49.710 3.238 5.451
258 HB1 ALA 30 1HB ALA 30 47.368 2.151 6.964
259 HB2 ALA 30 2HB ALA 30 47.204 3.706 6.148
260 HB3 ALA 30 3HB ALA 30 48.450 3.482 7.376
261 H SER 31 H SER 31 47.758 0.292 5.157
262 HA SER 31 HA SER 31 49.347 -1.398 6.749
263 HB2 SER 31 1HB SER 31 47.869 -2.142 4.215
264 HB3 SER 31 2HB SER 31 48.377 -3.239 5.493
265 HG SER 31 HG SER 31 46.981 -2.160 6.899
266 H ALA 32 H ALA 32 49.771 -0.277 3.418
267 HA ALA 32 HA ALA 32 51.789 -2.099 2.655
268 HB1 ALA 32 1HB ALA 32 51.598 0.780 1.757
269 HB2 ALA 32 2HB ALA 32 50.536 -0.490 1.148
270 HB3 ALA 32 3HB ALA 32 52.275 -0.585 0.871
271 H LEU 33 H LEU 33 51.954 1.068 4.274
272 HA LEU 33 HA LEU 33 54.760 1.280 4.362
273 HB2 LEU 33 1HB LEU 33 52.754 2.249 6.413
274 HB3 LEU 33 2HB LEU 33 54.414 2.817 6.241
275 HG LEU 33 HG LEU 33 52.300 3.014 4.076
276 HD11 LEU 33 1HD1 LEU 33 51.897 4.456 6.110
277 HD12 LEU 33 2HD1 LEU 33 52.167 5.365 4.624
278 HD13 LEU 33 3HD1 LEU 33 53.463 5.211 5.810
279 HD21 LEU 33 1HD2 LEU 33 54.474 2.949 3.075
280 HD22 LEU 33 2HD2 LEU 33 55.158 3.977 4.334
281 HD23 LEU 33 3HD2 LEU 33 54.035 4.655 3.155
282 H TRP 34 H TRP 34 52.487 -0.393 6.524
283 HA TRP 34 HA TRP 34 54.356 -1.247 8.451
284 HB2 TRP 34 1HB TRP 34 51.873 -1.521 8.593
285 HB3 TRP 34 2HB TRP 34 51.999 -2.832 7.436
286 HD1 TRP 34 HD1 TRP 34 52.401 -5.158 8.383
287 HE1 TRP 34 HE1 TRP 34 53.028 -6.111 10.693
288 HE3 TRP 34 HE3 TRP 34 53.383 -0.818 10.888
289 HZ2 TRP 34 HZ2 TRP 34 53.840 -5.158 13.269
290 HZ3 TRP 34 HZ3 TRP 34 54.080 -0.869 13.263
291 HH2 TRP 34 HH2 TRP 34 54.309 -3.028 14.457
292 H ALA 35 H ALA 35 53.599 -2.535 5.253
293 HA ALA 35 HA ALA 35 55.140 -4.888 5.398
294 HB1 ALA 35 1HB ALA 35 53.521 -3.984 3.536
295 HB2 ALA 35 2HB ALA 35 54.859 -5.049 3.104
296 HB3 ALA 35 3HB ALA 35 55.003 -3.309 2.858
297 H ALA 36 H ALA 36 56.045 -1.563 4.603
298 HA ALA 36 HA ALA 36 58.664 -2.078 3.711
299 HB1 ALA 36 1HB ALA 36 57.363 0.126 3.619
300 HB2 ALA 36 2HB ALA 36 59.081 0.237 4.003
301 HB3 ALA 36 3HB ALA 36 57.879 0.371 5.287
302 H ALA 37 H ALA 37 57.399 -1.488 6.974
303 HA ALA 37 HA ALA 37 59.870 -1.637 8.336
304 HB1 ALA 37 1HB ALA 37 57.477 -0.987 9.179
305 HB2 ALA 37 2HB ALA 37 58.628 -1.725 10.293
306 HB3 ALA 37 3HB ALA 37 57.355 -2.703 9.566
307 H TRP 38 H TRP 38 57.568 -4.150 7.396
308 HA TRP 38 HA TRP 38 58.702 -6.340 8.684
309 HB2 TRP 38 1HB TRP 38 56.524 -6.332 7.515
310 HB3 TRP 38 2HB TRP 38 57.370 -6.316 5.980
311 HD1 TRP 38 HD1 TRP 38 58.238 -8.561 5.051
312 HE1 TRP 38 HE1 TRP 38 58.089 -11.007 5.847
313 HE3 TRP 38 HE3 TRP 38 56.482 -7.839 9.791
314 HZ2 TRP 38 HZ2 TRP 38 57.323 -12.468 8.189
315 HZ3 TRP 38 HZ3 TRP 38 56.052 -9.769 11.280
316 HH2 TRP 38 HH2 TRP 38 56.470 -12.080 10.488
317 H HIS 39 H HIS 39 59.701 -4.803 5.657
318 HA HIS 39 HA HIS 39 61.753 -6.771 5.155
319 HB2 HIS 39 1HB HIS 39 61.394 -3.956 4.111
320 HB3 HIS 39 2HB HIS 39 62.607 -5.085 3.538
321 HD1 HIS 39 HD1 HIS 39 61.513 -7.424 2.539
322 HD2 HIS 39 HD2 HIS 39 59.029 -4.080 2.711
323 HE1 HIS 39 HE1 HIS 39 59.582 -7.886 0.970
324 H GLY 40 H GLY 40 62.033 -3.292 5.909
325 HA2 GLY 40 1HA GLY 40 63.663 -4.016 8.239
326 HA3 GLY 40 2HA GLY 40 64.323 -2.847 7.097
327 H GLN 41 H GLN 41 62.454 -3.159 9.892
328 HA GLN 41 HA GLN 41 61.040 -0.816 10.004
329 HB2 GLN 41 1HB GLN 41 61.362 -2.410 11.899
330 HB3 GLN 41 2HB GLN 41 62.979 -1.746 12.136
331 HG2 GLN 41 1HG GLN 41 61.945 0.518 12.428
332 HG3 GLN 41 2HG GLN 41 60.357 -0.243 12.355
333 HE21 GLN 41 1HE2 GLN 41 59.524 -0.631 14.403
334 HE22 GLN 41 2HE2 GLN 41 60.446 -1.015 15.775
335 H LYS 42 H LYS 42 61.516 1.379 10.386
336 HA LYS 42 HA LYS 42 63.592 2.377 8.841
337 HB2 LYS 42 1HB LYS 42 61.855 3.632 10.951
338 HB3 LYS 42 2HB LYS 42 63.093 4.568 10.110
339 HG2 LYS 42 1HG LYS 42 62.001 3.536 7.951
340 HG3 LYS 42 2HG LYS 42 60.608 3.294 9.005
341 HD2 LYS 42 1HD LYS 42 60.291 5.579 9.340
342 HD3 LYS 42 2HD LYS 42 61.968 5.970 8.960
343 HE2 LYS 42 1HE LYS 42 61.348 5.035 6.580
344 HE3 LYS 42 2HE LYS 42 59.694 5.379 7.091
345 HZ1 LYS 42 1HZ LYS 42 61.073 7.204 5.916
346 HZ2 LYS 42 2HZ LYS 42 61.788 7.415 7.443
347 HZ3 LYS 42 3HZ LYS 42 60.112 7.619 7.252
348 HA PRO 43 HA PRO 43 67.178 2.115 11.506
349 HB2 PRO 43 1HB PRO 43 67.998 4.798 10.523
350 HB3 PRO 43 2HB PRO 43 68.874 3.256 10.469
351 HG2 PRO 43 1HG PRO 43 67.796 4.332 8.286
352 HG3 PRO 43 2HG PRO 43 67.840 2.578 8.543
353 HD2 PRO 43 1HD PRO 43 65.527 4.458 8.813
354 HD3 PRO 43 2HD PRO 43 65.558 2.776 8.236
355 H GLY 44 H GLY 44 67.765 2.785 13.556
356 HA2 GLY 44 1HA GLY 44 66.085 4.394 15.106
357 HA3 GLY 44 2HA GLY 44 67.739 3.965 15.535
358 H THR 45 H THR 45 66.234 6.533 15.841
359 HA THR 45 HA THR 45 67.011 8.464 13.976
360 HB THR 45 HB THR 45 66.716 8.869 16.960
361 HG1 THR 45 HG1 THR 45 64.854 7.958 16.308
362 HG21 THR 45 1HG2 THR 45 67.645 10.817 15.891
363 HG22 THR 45 2HG2 THR 45 65.933 11.138 16.169
364 HG23 THR 45 3HG2 THR 45 66.497 10.698 14.557
365 H HIS 46 H HIS 46 68.766 9.821 13.783
366 HA HIS 46 HA HIS 46 71.215 8.918 15.165
367 HB2 HIS 46 1HB HIS 46 71.179 8.793 12.692
368 HB3 HIS 46 2HB HIS 46 70.902 10.523 12.624
369 HD1 HIS 46 HD1 HIS 46 73.493 8.165 14.153
370 HD2 HIS 46 HD2 HIS 46 73.260 11.906 12.329
371 HE1 HIS 46 HE1 HIS 46 75.868 9.021 13.972
Start of MODEL 17
1 H ARG 1 3H ARG 1 40.749 26.433 -7.676
2 HA ARG 1 HA ARG 1 42.182 24.929 -6.371
3 HB2 ARG 1 1HB ARG 1 39.516 23.573 -5.863
4 HB3 ARG 1 2HB ARG 1 41.092 22.881 -5.474
5 HG2 ARG 1 1HG ARG 1 41.564 24.808 -3.994
6 HG3 ARG 1 2HG ARG 1 39.969 25.468 -4.359
7 HD2 ARG 1 1HD ARG 1 39.787 24.281 -2.272
8 HD3 ARG 1 2HD ARG 1 38.973 23.317 -3.500
9 HE ARG 1 HE ARG 1 41.774 22.667 -3.017
10 HH11 ARG 1 1HH1 ARG 1 38.429 21.874 -2.306
11 HH12 ARG 1 2HH1 ARG 1 38.820 20.277 -1.759
12 HH21 ARG 1 1HH2 ARG 1 42.215 20.601 -2.301
13 HH22 ARG 1 2HH2 ARG 1 40.937 19.567 -1.757
14 H SER 2 H SER 2 42.879 22.915 -7.375
15 HA SER 2 HA SER 2 42.565 22.871 -10.153
16 HB2 SER 2 1HB SER 2 43.808 20.794 -10.102
17 HB3 SER 2 2HB SER 2 44.476 21.894 -8.901
18 HG SER 2 HG SER 2 43.920 20.516 -7.414
19 H LEU 3 H LEU 3 40.603 21.352 -7.687
20 HA LEU 3 HA LEU 3 39.488 19.232 -9.124
21 HB2 LEU 3 1HB LEU 3 39.186 19.655 -6.694
22 HB3 LEU 3 2HB LEU 3 38.092 20.979 -7.091
23 HG LEU 3 HG LEU 3 36.693 19.324 -8.386
24 HD11 LEU 3 1HD1 LEU 3 37.141 16.894 -7.532
25 HD12 LEU 3 2HD1 LEU 3 38.773 17.487 -7.223
26 HD13 LEU 3 3HD1 LEU 3 38.117 17.521 -8.860
27 HD21 LEU 3 1HD2 LEU 3 35.828 18.184 -6.274
28 HD22 LEU 3 2HD2 LEU 3 35.931 19.943 -6.201
29 HD23 LEU 3 3HD2 LEU 3 37.165 18.953 -5.420
30 H LEU 4 H LEU 4 38.892 22.661 -9.447
31 HA LEU 4 HA LEU 4 36.292 22.633 -10.503
32 HB2 LEU 4 1HB LEU 4 38.565 24.510 -11.187
33 HB3 LEU 4 2HB LEU 4 36.851 24.814 -11.465
34 HG LEU 4 HG LEU 4 38.094 24.319 -8.742
35 HD11 LEU 4 1HD1 LEU 4 38.751 26.487 -9.861
36 HD12 LEU 4 2HD1 LEU 4 37.844 26.694 -8.363
37 HD13 LEU 4 3HD1 LEU 4 37.039 26.906 -9.919
38 HD21 LEU 4 1HD2 LEU 4 35.795 23.654 -8.699
39 HD22 LEU 4 2HD2 LEU 4 35.308 25.028 -9.690
40 HD23 LEU 4 3HD2 LEU 4 35.832 25.284 -8.027
41 H GLU 5 H GLU 5 39.314 21.713 -11.971
42 HA GLU 5 HA GLU 5 38.294 21.958 -14.684
43 HB2 GLU 5 1HB GLU 5 40.912 20.880 -13.629
44 HB3 GLU 5 2HB GLU 5 40.520 21.107 -15.334
45 HG2 GLU 5 1HG GLU 5 40.107 23.526 -14.876
46 HG3 GLU 5 2HG GLU 5 40.636 23.270 -13.213
47 H GLY 6 H GLY 6 38.339 19.476 -12.280
48 HA2 GLY 6 1HA GLY 6 38.202 17.334 -14.253
49 HA3 GLY 6 2HA GLY 6 38.240 17.144 -12.511
50 H GLU 7 H GLU 7 35.877 19.414 -13.227
51 HA GLU 7 HA GLU 7 33.666 19.413 -13.756
52 HB2 GLU 7 1HB GLU 7 33.687 16.384 -13.865
53 HB3 GLU 7 2HB GLU 7 32.393 17.463 -14.352
54 HG2 GLU 7 1HG GLU 7 33.876 18.497 -16.040
55 HG3 GLU 7 2HG GLU 7 35.145 17.361 -15.604
56 H ILE 8 H ILE 8 31.775 19.342 -12.524
57 HA ILE 8 HA ILE 8 32.280 18.991 -9.715
58 HB ILE 8 HB ILE 8 29.753 19.773 -11.195
59 HG12 ILE 8 1HG1 ILE 8 31.775 21.512 -9.754
60 HG13 ILE 8 2HG1 ILE 8 31.749 21.277 -11.502
61 HG21 ILE 8 1HG2 ILE 8 30.478 20.174 -8.278
62 HG22 ILE 8 2HG2 ILE 8 29.386 18.920 -8.865
63 HG23 ILE 8 3HG2 ILE 8 28.962 20.621 -9.062
64 HD11 ILE 8 1HD1 ILE 8 30.538 23.318 -10.984
65 HD12 ILE 8 2HD1 ILE 8 29.540 22.468 -9.804
66 HD13 ILE 8 3HD1 ILE 8 29.381 22.100 -11.521
67 HA PRO 9 HA PRO 9 30.506 14.827 -9.584
68 HB2 PRO 9 1HB PRO 9 29.681 14.737 -6.957
69 HB3 PRO 9 2HB PRO 9 31.356 14.469 -7.479
70 HG2 PRO 9 1HG PRO 9 30.100 16.914 -6.348
71 HG3 PRO 9 2HG PRO 9 31.704 16.223 -6.047
72 HD2 PRO 9 1HD PRO 9 31.362 18.348 -7.685
73 HD3 PRO 9 2HD PRO 9 32.620 17.130 -7.974
74 H PHE 10 H PHE 10 28.446 13.862 -9.695
75 HA PHE 10 HA PHE 10 26.322 15.488 -10.459
76 HB2 PHE 10 1HB PHE 10 26.442 12.626 -9.557
77 HB3 PHE 10 2HB PHE 10 24.925 13.374 -10.016
78 HD1 PHE 10 HD1 PHE 10 24.759 14.411 -12.364
79 HD2 PHE 10 HD2 PHE 10 27.904 11.742 -11.169
80 HE1 PHE 10 HE1 PHE 10 25.257 13.933 -14.745
81 HE2 PHE 10 HE2 PHE 10 28.404 11.263 -13.551
82 HZ PHE 10 HZ PHE 10 27.079 12.359 -15.339
83 HA PRO 11 HA PRO 11 24.792 17.280 -6.855
84 HB2 PRO 11 1HB PRO 11 21.984 16.606 -7.530
85 HB3 PRO 11 2HB PRO 11 22.749 18.183 -7.264
86 HG2 PRO 11 1HG PRO 11 22.064 17.320 -9.696
87 HG3 PRO 11 2HG PRO 11 23.485 18.343 -9.414
88 HD2 PRO 11 1HD PRO 11 23.363 15.422 -10.011
89 HD3 PRO 11 2HD PRO 11 24.594 16.626 -10.450
90 HA PRO 12 HA PRO 12 22.247 13.718 -4.630
91 HB2 PRO 12 1HB PRO 12 23.616 11.407 -5.925
92 HB3 PRO 12 2HB PRO 12 21.947 11.548 -5.339
93 HG2 PRO 12 1HG PRO 12 22.508 11.612 -7.933
94 HG3 PRO 12 2HG PRO 12 21.225 12.619 -7.236
95 HD2 PRO 12 1HD PRO 12 23.948 13.423 -8.162
96 HD3 PRO 12 2HD PRO 12 22.425 14.337 -8.203
97 H THR 13 H THR 13 23.121 13.355 -2.663
98 HA THR 13 HA THR 13 25.853 13.646 -2.081
99 HB THR 13 HB THR 13 25.270 12.844 0.160
100 HG1 THR 13 HG1 THR 13 23.842 11.186 -0.566
101 HG21 THR 13 1HG2 THR 13 24.721 15.142 -0.350
102 HG22 THR 13 2HG2 THR 13 23.388 14.459 0.581
103 HG23 THR 13 3HG2 THR 13 23.236 14.654 -1.165
104 H SER 14 H SER 14 24.126 10.835 -3.191
105 HA SER 14 HA SER 14 25.495 8.833 -1.768
106 HB2 SER 14 1HB SER 14 24.657 7.298 -3.442
107 HB3 SER 14 2HB SER 14 23.410 8.487 -3.086
108 HG SER 14 HG SER 14 23.464 8.863 -5.153
109 H ILE 15 H ILE 15 26.364 10.582 -4.728
110 HA ILE 15 HA ILE 15 28.455 8.878 -5.572
111 HB ILE 15 HB ILE 15 28.361 11.891 -5.819
112 HG12 ILE 15 1HG1 ILE 15 26.278 10.918 -6.678
113 HG13 ILE 15 2HG1 ILE 15 27.281 11.483 -8.009
114 HG21 ILE 15 1HG2 ILE 15 30.516 11.116 -6.451
115 HG22 ILE 15 2HG2 ILE 15 29.631 11.311 -7.963
116 HG23 ILE 15 3HG2 ILE 15 29.851 9.704 -7.273
117 HD11 ILE 15 1HD1 ILE 15 28.090 9.148 -8.353
118 HD12 ILE 15 2HD1 ILE 15 26.346 9.290 -8.550
119 HD13 ILE 15 3HD1 ILE 15 27.010 8.611 -7.067
120 H LEU 16 H LEU 16 28.395 11.517 -3.189
121 HA LEU 16 HA LEU 16 31.144 11.515 -2.572
122 HB2 LEU 16 1HB LEU 16 28.808 12.043 -0.721
123 HB3 LEU 16 2HB LEU 16 30.481 12.518 -0.435
124 HG LEU 16 HG LEU 16 28.809 13.433 -2.794
125 HD11 LEU 16 1HD1 LEU 16 27.889 14.519 -0.902
126 HD12 LEU 16 2HD1 LEU 16 29.066 15.674 -1.529
127 HD13 LEU 16 3HD1 LEU 16 29.464 14.682 -0.126
128 HD21 LEU 16 1HD2 LEU 16 31.624 13.962 -1.852
129 HD22 LEU 16 2HD2 LEU 16 30.761 15.167 -2.808
130 HD23 LEU 16 3HD2 LEU 16 31.061 13.561 -3.475
131 H LEU 17 H LEU 17 28.497 9.439 -1.455
132 HA LEU 17 HA LEU 17 29.900 8.122 0.602
133 HB2 LEU 17 1HB LEU 17 27.450 7.892 0.156
134 HB3 LEU 17 2HB LEU 17 27.841 6.872 -1.228
135 HG LEU 17 HG LEU 17 29.171 5.410 0.377
136 HD11 LEU 17 1HD1 LEU 17 27.748 7.230 2.330
137 HD12 LEU 17 2HD1 LEU 17 29.473 6.872 2.244
138 HD13 LEU 17 3HD1 LEU 17 28.341 5.633 2.786
139 HD21 LEU 17 1HD2 LEU 17 27.167 4.246 1.174
140 HD22 LEU 17 2HD2 LEU 17 26.897 4.839 -0.466
141 HD23 LEU 17 3HD2 LEU 17 26.197 5.694 0.909
142 H LEU 18 H LEU 18 29.815 7.522 -2.892
143 HA LEU 18 HA LEU 18 31.367 5.164 -2.884
144 HB2 LEU 18 1HB LEU 18 30.920 7.320 -4.927
145 HB3 LEU 18 2HB LEU 18 32.076 6.022 -5.229
146 HG LEU 18 HG LEU 18 30.208 4.395 -4.611
147 HD11 LEU 18 1HD1 LEU 18 28.731 7.012 -4.654
148 HD12 LEU 18 2HD1 LEU 18 28.584 5.674 -3.515
149 HD13 LEU 18 3HD1 LEU 18 27.904 5.533 -5.135
150 HD21 LEU 18 1HD2 LEU 18 30.816 4.621 -6.918
151 HD22 LEU 18 2HD2 LEU 18 30.038 6.199 -7.037
152 HD23 LEU 18 3HD2 LEU 18 29.058 4.743 -6.863
153 H LEU 19 H LEU 19 32.326 8.579 -2.851
154 HA LEU 19 HA LEU 19 35.106 8.177 -3.060
155 HB2 LEU 19 1HB LEU 19 33.701 10.308 -1.436
156 HB3 LEU 19 2HB LEU 19 35.367 10.353 -2.002
157 HG LEU 19 HG LEU 19 32.945 10.181 -3.819
158 HD11 LEU 19 1HD1 LEU 19 33.292 12.356 -2.502
159 HD12 LEU 19 2HD1 LEU 19 33.238 12.506 -4.258
160 HD13 LEU 19 3HD1 LEU 19 34.788 12.544 -3.415
161 HD21 LEU 19 1HD2 LEU 19 35.927 10.323 -4.244
162 HD22 LEU 19 2HD2 LEU 19 34.823 10.958 -5.465
163 HD23 LEU 19 3HD2 LEU 19 34.750 9.255 -5.011
164 H ALA 20 H ALA 20 32.946 7.909 -0.283
165 HA ALA 20 HA ALA 20 34.902 7.677 1.729
166 HB1 ALA 20 1HB ALA 20 32.414 7.913 2.073
167 HB2 ALA 20 2HB ALA 20 33.187 6.693 3.086
168 HB3 ALA 20 3HB ALA 20 32.264 6.204 1.665
169 H CYS 21 H CYS 21 33.434 5.235 -0.382
170 HA CYS 21 HA CYS 21 34.702 2.980 0.733
171 HB2 CYS 21 1HB CYS 21 33.878 3.498 -2.133
172 HB3 CYS 21 2HB CYS 21 34.322 1.921 -1.481
173 HG CYS 21 HG CYS 21 31.848 3.532 -0.432
174 H ILE 22 H ILE 22 35.780 5.268 -1.761
175 HA ILE 22 HA ILE 22 38.146 3.922 -2.487
176 HB ILE 22 HB ILE 22 37.656 6.912 -2.421
177 HG12 ILE 22 1HG1 ILE 22 37.274 4.934 -4.689
178 HG13 ILE 22 2HG1 ILE 22 35.956 5.558 -3.696
179 HG21 ILE 22 1HG2 ILE 22 39.383 7.003 -4.152
180 HG22 ILE 22 2HG2 ILE 22 39.569 5.249 -4.091
181 HG23 ILE 22 3HG2 ILE 22 40.041 6.235 -2.707
182 HD11 ILE 22 1HD1 ILE 22 36.751 7.895 -4.340
183 HD12 ILE 22 2HD1 ILE 22 36.024 6.950 -5.640
184 HD13 ILE 22 3HD1 ILE 22 37.777 7.114 -5.542
185 H PHE 23 H PHE 23 37.474 6.171 0.184
186 HA PHE 23 HA PHE 23 40.126 6.411 1.108
187 HB2 PHE 23 1HB PHE 23 37.478 6.589 2.509
188 HB3 PHE 23 2HB PHE 23 38.986 6.734 3.390
189 HD1 PHE 23 HD1 PHE 23 40.561 8.608 2.861
190 HD2 PHE 23 HD2 PHE 23 36.626 8.366 1.157
191 HE1 PHE 23 HE1 PHE 23 40.679 11.008 2.245
192 HE2 PHE 23 HE2 PHE 23 36.745 10.764 0.539
193 HZ PHE 23 HZ PHE 23 38.772 12.085 1.082
194 H LEU 24 H LEU 24 37.702 3.888 1.658
195 HA LEU 24 HA LEU 24 39.110 2.423 3.610
196 HB2 LEU 24 1HB LEU 24 36.762 1.970 2.842
197 HB3 LEU 24 2HB LEU 24 37.436 1.252 1.378
198 HG LEU 24 HG LEU 24 38.844 -0.202 3.013
199 HD11 LEU 24 1HD1 LEU 24 38.131 -0.401 5.222
200 HD12 LEU 24 2HD1 LEU 24 36.528 0.245 4.871
201 HD13 LEU 24 3HD1 LEU 24 37.917 1.327 4.950
202 HD21 LEU 24 1HD2 LEU 24 35.843 -0.555 2.736
203 HD22 LEU 24 2HD2 LEU 24 36.975 -1.834 3.178
204 HD23 LEU 24 3HD2 LEU 24 37.061 -1.092 1.580
205 H ILE 25 H ILE 25 39.373 2.422 0.072
206 HA ILE 25 HA ILE 25 41.286 0.360 -0.149
207 HB ILE 25 HB ILE 25 41.039 2.829 -1.887
208 HG12 ILE 25 1HG1 ILE 25 39.789 0.086 -2.230
209 HG13 ILE 25 2HG1 ILE 25 38.922 1.489 -1.602
210 HG21 ILE 25 1HG2 ILE 25 42.079 1.419 -3.605
211 HG22 ILE 25 2HG2 ILE 25 42.181 0.078 -2.465
212 HG23 ILE 25 3HG2 ILE 25 43.139 1.534 -2.200
213 HD11 ILE 25 1HD1 ILE 25 39.531 2.716 -3.717
214 HD12 ILE 25 2HD1 ILE 25 38.460 1.338 -3.970
215 HD13 ILE 25 3HD1 ILE 25 40.177 1.200 -4.344
216 H LYS 26 H LYS 26 41.656 3.813 0.573
217 HA LYS 26 HA LYS 26 44.467 3.918 0.483
218 HB2 LYS 26 1HB LYS 26 42.973 5.904 0.720
219 HB3 LYS 26 2HB LYS 26 42.689 5.441 2.397
220 HG2 LYS 26 1HG LYS 26 45.136 5.554 2.820
221 HG3 LYS 26 2HG LYS 26 45.374 6.111 1.163
222 HD2 LYS 26 1HD LYS 26 43.845 8.036 1.645
223 HD3 LYS 26 2HD LYS 26 43.788 7.515 3.330
224 HE2 LYS 26 1HE LYS 26 45.494 9.156 3.288
225 HE3 LYS 26 2HE LYS 26 46.364 7.623 3.259
226 HZ1 LYS 26 1HZ LYS 26 46.591 9.661 1.444
227 HZ2 LYS 26 2HZ LYS 26 45.663 8.489 0.637
228 HZ3 LYS 26 3HZ LYS 26 47.188 8.084 1.265
229 H ILE 27 H ILE 27 42.280 2.804 3.035
230 HA ILE 27 HA ILE 27 44.206 2.476 5.067
231 HB ILE 27 HB ILE 27 41.768 0.757 4.540
232 HG12 ILE 27 1HG1 ILE 27 42.078 3.208 6.301
233 HG13 ILE 27 2HG1 ILE 27 41.331 3.228 4.705
234 HG21 ILE 27 1HG2 ILE 27 43.288 1.303 7.109
235 HG22 ILE 27 2HG2 ILE 27 43.409 -0.186 6.173
236 HG23 ILE 27 3HG2 ILE 27 41.879 0.258 6.929
237 HD11 ILE 27 1HD1 ILE 27 39.457 2.942 6.046
238 HD12 ILE 27 2HD1 ILE 27 40.335 1.994 7.247
239 HD13 ILE 27 3HD1 ILE 27 39.872 1.262 5.711
240 H LEU 28 H LEU 28 43.272 0.347 2.385
241 HA LEU 28 HA LEU 28 44.933 -1.834 3.047
242 HB2 LEU 28 1HB LEU 28 44.264 -0.830 0.271
243 HB3 LEU 28 2HB LEU 28 44.838 -2.442 0.687
244 HG LEU 28 HG LEU 28 42.264 -1.218 1.723
245 HD11 LEU 28 1HD1 LEU 28 42.871 -3.110 -0.554
246 HD12 LEU 28 2HD1 LEU 28 41.912 -1.631 -0.590
247 HD13 LEU 28 3HD1 LEU 28 41.286 -3.068 0.218
248 HD21 LEU 28 1HD2 LEU 28 42.996 -2.836 3.297
249 HD22 LEU 28 2HD2 LEU 28 43.618 -3.901 2.038
250 HD23 LEU 28 3HD2 LEU 28 41.878 -3.720 2.258
251 H ALA 29 H ALA 29 45.663 1.196 1.386
252 HA ALA 29 HA ALA 29 48.343 0.633 0.712
253 HB1 ALA 29 1HB ALA 29 48.551 2.894 0.239
254 HB2 ALA 29 2HB ALA 29 47.505 3.376 1.575
255 HB3 ALA 29 3HB ALA 29 46.806 2.669 0.117
256 H ALA 30 H ALA 30 46.897 1.827 3.709
257 HA ALA 30 HA ALA 30 49.259 2.589 5.018
258 HB1 ALA 30 1HB ALA 30 46.905 3.051 5.790
259 HB2 ALA 30 2HB ALA 30 47.996 2.490 7.058
260 HB3 ALA 30 3HB ALA 30 46.828 1.379 6.344
261 H SER 31 H SER 31 47.660 -0.563 4.784
262 HA SER 31 HA SER 31 49.338 -1.987 6.539
263 HB2 SER 31 1HB SER 31 47.249 -2.885 5.496
264 HB3 SER 31 2HB SER 31 48.119 -3.029 3.973
265 HG SER 31 HG SER 31 49.274 -4.646 4.780
266 H ALA 32 H ALA 32 49.775 -1.072 3.144
267 HA ALA 32 HA ALA 32 52.082 -2.629 2.643
268 HB1 ALA 32 1HB ALA 32 51.742 0.082 1.413
269 HB2 ALA 32 2HB ALA 32 50.584 -1.193 1.031
270 HB3 ALA 32 3HB ALA 32 52.296 -1.420 0.674
271 H LEU 33 H LEU 33 51.675 0.660 3.933
272 HA LEU 33 HA LEU 33 54.401 1.331 4.098
273 HB2 LEU 33 1HB LEU 33 52.508 2.918 4.442
274 HB3 LEU 33 2HB LEU 33 52.210 2.167 6.009
275 HG LEU 33 HG LEU 33 54.630 2.682 6.594
276 HD11 LEU 33 1HD1 LEU 33 55.487 4.687 5.180
277 HD12 LEU 33 2HD1 LEU 33 54.361 4.110 3.951
278 HD13 LEU 33 3HD1 LEU 33 55.668 3.065 4.511
279 HD21 LEU 33 1HD2 LEU 33 52.995 4.080 7.590
280 HD22 LEU 33 2HD2 LEU 33 52.576 4.829 6.049
281 HD23 LEU 33 3HD2 LEU 33 54.115 5.207 6.823
282 H TRP 34 H TRP 34 52.323 -0.501 6.320
283 HA TRP 34 HA TRP 34 54.164 -0.794 8.428
284 HB2 TRP 34 1HB TRP 34 51.774 -1.494 8.484
285 HB3 TRP 34 2HB TRP 34 52.185 -2.854 7.457
286 HD1 TRP 34 HD1 TRP 34 52.969 -4.987 8.618
287 HE1 TRP 34 HE1 TRP 34 53.573 -5.630 11.038
288 HE3 TRP 34 HE3 TRP 34 52.912 -0.369 10.794
289 HZ2 TRP 34 HZ2 TRP 34 53.981 -4.352 13.569
290 HZ3 TRP 34 HZ3 TRP 34 53.411 -0.110 13.205
291 HH2 TRP 34 HH2 TRP 34 53.945 -2.090 14.595
292 H ALA 35 H ALA 35 53.867 -2.542 5.368
293 HA ALA 35 HA ALA 35 55.827 -4.507 5.855
294 HB1 ALA 35 1HB ALA 35 55.851 -4.874 3.524
295 HB2 ALA 35 2HB ALA 35 55.416 -3.202 3.171
296 HB3 ALA 35 3HB ALA 35 54.220 -4.296 3.863
297 H ALA 36 H ALA 36 56.108 -1.182 4.682
298 HA ALA 36 HA ALA 36 58.836 -1.246 3.998
299 HB1 ALA 36 1HB ALA 36 57.075 0.606 3.588
300 HB2 ALA 36 2HB ALA 36 58.738 1.096 3.910
301 HB3 ALA 36 3HB ALA 36 57.528 1.186 5.190
302 H ALA 37 H ALA 37 57.236 -0.547 7.083
303 HA ALA 37 HA ALA 37 59.565 0.031 8.569
304 HB1 ALA 37 1HB ALA 37 58.052 -0.930 10.501
305 HB2 ALA 37 2HB ALA 37 56.808 -0.904 9.251
306 HB3 ALA 37 3HB ALA 37 57.632 0.587 9.705
307 H TRP 38 H TRP 38 57.948 -3.033 7.864
308 HA TRP 38 HA TRP 38 59.419 -4.737 9.495
309 HB2 TRP 38 1HB TRP 38 57.400 -5.348 8.183
310 HB3 TRP 38 2HB TRP 38 58.383 -5.351 6.731
311 HD1 TRP 38 HD1 TRP 38 59.796 -7.457 6.232
312 HE1 TRP 38 HE1 TRP 38 60.056 -9.750 7.378
313 HE3 TRP 38 HE3 TRP 38 57.406 -6.514 10.644
314 HZ2 TRP 38 HZ2 TRP 38 59.343 -11.020 9.845
315 HZ3 TRP 38 HZ3 TRP 38 57.210 -8.277 12.369
316 HH2 TRP 38 HH2 TRP 38 58.173 -10.526 11.979
317 H HIS 39 H HIS 39 60.318 -3.389 6.343
318 HA HIS 39 HA HIS 39 62.811 -4.850 6.278
319 HB2 HIS 39 1HB HIS 39 61.855 -2.400 4.786
320 HB3 HIS 39 2HB HIS 39 63.411 -3.161 4.513
321 HD1 HIS 39 HD1 HIS 39 59.747 -3.583 3.896
322 HD2 HIS 39 HD2 HIS 39 63.280 -5.651 3.110
323 HE1 HIS 39 HE1 HIS 39 59.162 -5.386 2.218
324 H GLY 40 H GLY 40 62.221 -1.335 6.494
325 HA2 GLY 40 1HA GLY 40 63.711 -1.324 9.022
326 HA3 GLY 40 2HA GLY 40 64.215 -0.201 7.760
327 H GLN 41 H GLN 41 62.174 -0.545 10.427
328 HA GLN 41 HA GLN 41 60.252 1.372 10.031
329 HB2 GLN 41 1HB GLN 41 62.096 1.092 12.417
330 HB3 GLN 41 2HB GLN 41 60.599 2.026 12.407
331 HG2 GLN 41 1HG GLN 41 59.309 0.017 11.891
332 HG3 GLN 41 2HG GLN 41 60.787 -0.937 11.794
333 HE21 GLN 41 1HE2 GLN 41 58.705 -1.596 13.646
334 HE22 GLN 41 2HE2 GLN 41 59.287 -1.330 15.219
335 H LYS 42 H LYS 42 60.161 3.629 10.022
336 HA LYS 42 HA LYS 42 62.753 5.034 9.758
337 HB2 LYS 42 1HB LYS 42 61.678 6.423 7.958
338 HB3 LYS 42 2HB LYS 42 61.992 4.750 7.514
339 HG2 LYS 42 1HG LYS 42 59.620 4.197 8.036
340 HG3 LYS 42 2HG LYS 42 59.319 5.899 8.382
341 HD2 LYS 42 1HD LYS 42 58.661 5.740 6.146
342 HD3 LYS 42 2HD LYS 42 60.330 6.293 5.998
343 HE2 LYS 42 1HE LYS 42 61.115 4.083 5.512
344 HE3 LYS 42 2HE LYS 42 59.567 3.366 5.960
345 HZ1 LYS 42 1HZ LYS 42 59.802 3.533 3.562
346 HZ2 LYS 42 2HZ LYS 42 60.022 5.214 3.680
347 HZ3 LYS 42 3HZ LYS 42 58.533 4.517 4.109
348 HA PRO 43 HA PRO 43 59.923 7.138 12.882
349 HB2 PRO 43 1HB PRO 43 62.556 7.461 14.230
350 HB3 PRO 43 2HB PRO 43 60.983 7.007 14.913
351 HG2 PRO 43 1HG PRO 43 62.923 5.220 14.586
352 HG3 PRO 43 2HG PRO 43 61.217 4.800 14.342
353 HD2 PRO 43 1HD PRO 43 63.343 5.283 12.292
354 HD3 PRO 43 2HD PRO 43 61.981 4.139 12.261
355 H GLY 44 H GLY 44 62.937 7.887 11.258
356 HA2 GLY 44 1HA GLY 44 63.208 10.610 11.829
357 HA3 GLY 44 2HA GLY 44 63.745 9.835 10.341
358 H THR 45 H THR 45 62.436 12.481 10.865
359 HA THR 45 HA THR 45 59.783 12.543 9.985
360 HB THR 45 HB THR 45 61.929 14.595 9.393
361 HG1 THR 45 HG1 THR 45 61.938 14.869 11.456
362 HG21 THR 45 1HG2 THR 45 59.804 14.913 8.177
363 HG22 THR 45 2HG2 THR 45 60.028 16.161 9.403
364 HG23 THR 45 3HG2 THR 45 58.922 14.821 9.701
365 H HIS 46 H HIS 46 58.820 12.704 7.976
366 HA HIS 46 HA HIS 46 59.967 11.273 5.847
367 HB2 HIS 46 1HB HIS 46 57.679 13.243 5.850
368 HB3 HIS 46 2HB HIS 46 58.079 12.187 4.509
369 HD1 HIS 46 HD1 HIS 46 56.542 12.212 7.919
370 HD2 HIS 46 HD2 HIS 46 57.381 9.442 4.917
371 HE1 HIS 46 HE1 HIS 46 55.283 10.101 8.522
Start of MODEL 18
1 H ARG 1 3H ARG 1 32.998 8.831 -27.585
2 HA ARG 1 HA ARG 1 31.926 6.565 -26.004
3 HB2 ARG 1 1HB ARG 1 34.346 6.904 -27.802
4 HB3 ARG 1 2HB ARG 1 33.956 5.443 -26.893
5 HG2 ARG 1 1HG ARG 1 31.775 5.317 -28.091
6 HG3 ARG 1 2HG ARG 1 32.254 6.714 -29.056
7 HD2 ARG 1 1HD ARG 1 34.294 5.416 -29.774
8 HD3 ARG 1 2HD ARG 1 33.610 4.008 -28.966
9 HE ARG 1 HE ARG 1 31.594 4.793 -30.600
10 HH11 ARG 1 1HH1 ARG 1 34.992 4.172 -31.228
11 HH12 ARG 1 2HH1 ARG 1 34.703 3.682 -32.864
12 HH21 ARG 1 1HH2 ARG 1 31.284 4.154 -32.713
13 HH22 ARG 1 2HH2 ARG 1 32.628 3.673 -33.693
14 H SER 2 H SER 2 35.032 8.261 -26.493
15 HA SER 2 HA SER 2 36.059 7.784 -23.938
16 HB2 SER 2 1HB SER 2 36.631 10.144 -25.742
17 HB3 SER 2 2HB SER 2 37.645 9.575 -24.419
18 HG SER 2 HG SER 2 37.728 7.541 -25.575
19 H LEU 3 H LEU 3 33.739 10.187 -24.977
20 HA LEU 3 HA LEU 3 34.056 12.130 -22.997
21 HB2 LEU 3 1HB LEU 3 32.596 12.298 -25.015
22 HB3 LEU 3 2HB LEU 3 31.447 11.223 -24.224
23 HG LEU 3 HG LEU 3 31.360 12.864 -22.305
24 HD11 LEU 3 1HD1 LEU 3 32.101 15.238 -23.124
25 HD12 LEU 3 2HD1 LEU 3 33.161 14.341 -24.210
26 HD13 LEU 3 3HD1 LEU 3 33.317 14.145 -22.465
27 HD21 LEU 3 1HD2 LEU 3 30.082 14.614 -23.698
28 HD22 LEU 3 2HD2 LEU 3 29.537 12.941 -23.826
29 HD23 LEU 3 3HD2 LEU 3 30.529 13.646 -25.103
30 H LEU 4 H LEU 4 32.711 8.916 -22.718
31 HA LEU 4 HA LEU 4 30.984 9.265 -20.535
32 HB2 LEU 4 1HB LEU 4 31.160 7.205 -21.917
33 HB3 LEU 4 2HB LEU 4 32.701 6.849 -21.136
34 HG LEU 4 HG LEU 4 31.490 6.946 -18.915
35 HD11 LEU 4 1HD1 LEU 4 29.518 8.153 -19.349
36 HD12 LEU 4 2HD1 LEU 4 28.947 6.488 -19.247
37 HD13 LEU 4 3HD1 LEU 4 29.178 7.246 -20.823
38 HD21 LEU 4 1HD2 LEU 4 30.306 4.717 -19.321
39 HD22 LEU 4 2HD2 LEU 4 32.002 4.783 -19.801
40 HD23 LEU 4 3HD2 LEU 4 30.735 4.908 -21.022
41 H GLU 5 H GLU 5 34.486 9.115 -20.654
42 HA GLU 5 HA GLU 5 34.724 8.793 -17.766
43 HB2 GLU 5 1HB GLU 5 36.329 7.776 -19.397
44 HB3 GLU 5 2HB GLU 5 36.886 9.400 -19.788
45 HG2 GLU 5 1HG GLU 5 37.472 9.748 -17.398
46 HG3 GLU 5 2HG GLU 5 36.975 8.098 -17.053
47 H GLY 6 H GLY 6 34.539 11.440 -20.006
48 HA2 GLY 6 1HA GLY 6 35.656 13.340 -18.090
49 HA3 GLY 6 2HA GLY 6 35.137 13.696 -19.728
50 H GLU 7 H GLU 7 32.738 11.902 -18.078
51 HA GLU 7 HA GLU 7 31.055 14.281 -18.070
52 HB2 GLU 7 1HB GLU 7 30.315 12.100 -19.071
53 HB3 GLU 7 2HB GLU 7 30.305 11.417 -17.446
54 HG2 GLU 7 1HG GLU 7 28.692 13.174 -16.745
55 HG3 GLU 7 2HG GLU 7 28.666 13.785 -18.394
56 H ILE 8 H ILE 8 29.870 14.991 -16.279
57 HA ILE 8 HA ILE 8 31.327 14.782 -13.816
58 HB ILE 8 HB ILE 8 29.760 16.482 -12.989
59 HG12 ILE 8 1HG1 ILE 8 28.221 17.343 -15.052
60 HG13 ILE 8 2HG1 ILE 8 28.240 15.622 -15.420
61 HG21 ILE 8 1HG2 ILE 8 31.721 17.136 -14.324
62 HG22 ILE 8 2HG2 ILE 8 30.369 18.230 -14.618
63 HG23 ILE 8 3HG2 ILE 8 30.770 16.987 -15.802
64 HD11 ILE 8 1HD1 ILE 8 27.002 15.082 -13.567
65 HD12 ILE 8 2HD1 ILE 8 26.448 16.742 -13.752
66 HD13 ILE 8 3HD1 ILE 8 27.708 16.363 -12.581
67 HA PRO 9 HA PRO 9 28.766 11.567 -12.057
68 HB2 PRO 9 1HB PRO 9 28.992 12.096 -9.375
69 HB3 PRO 9 2HB PRO 9 30.260 11.298 -10.327
70 HG2 PRO 9 1HG PRO 9 30.058 14.129 -9.449
71 HG3 PRO 9 2HG PRO 9 31.477 13.071 -9.540
72 HD2 PRO 9 1HD PRO 9 30.951 14.967 -11.423
73 HD3 PRO 9 2HD PRO 9 31.795 13.449 -11.799
74 H PHE 10 H PHE 10 26.660 11.266 -11.225
75 HA PHE 10 HA PHE 10 24.845 13.302 -11.734
76 HB2 PHE 10 1HB PHE 10 24.572 10.794 -10.095
77 HB3 PHE 10 2HB PHE 10 23.222 11.866 -10.409
78 HD1 PHE 10 HD1 PHE 10 22.540 12.293 -12.827
79 HD2 PHE 10 HD2 PHE 10 25.283 9.192 -11.678
80 HE1 PHE 10 HE1 PHE 10 22.160 11.153 -14.996
81 HE2 PHE 10 HE2 PHE 10 24.902 8.053 -13.847
82 HZ PHE 10 HZ PHE 10 23.341 9.033 -15.507
83 HA PRO 11 HA PRO 11 25.084 16.051 -8.373
84 HB2 PRO 11 1HB PRO 11 22.132 16.126 -8.100
85 HB3 PRO 11 2HB PRO 11 23.287 17.435 -8.410
86 HG2 PRO 11 1HG PRO 11 21.691 16.469 -10.314
87 HG3 PRO 11 2HG PRO 11 23.330 17.050 -10.658
88 HD2 PRO 11 1HD PRO 11 22.327 14.242 -10.503
89 HD3 PRO 11 2HD PRO 11 23.598 14.946 -11.528
90 HA PRO 12 HA PRO 12 22.453 13.866 -4.836
91 HB2 PRO 12 1HB PRO 12 23.091 11.051 -5.614
92 HB3 PRO 12 2HB PRO 12 21.650 11.702 -4.805
93 HG2 PRO 12 1HG PRO 12 21.567 11.023 -7.356
94 HG3 PRO 12 2HG PRO 12 20.730 12.476 -6.773
95 HD2 PRO 12 1HD PRO 12 23.281 12.271 -8.319
96 HD3 PRO 12 2HD PRO 12 22.004 13.503 -8.412
97 H THR 13 H THR 13 23.543 13.733 -2.974
98 HA THR 13 HA THR 13 26.341 13.795 -2.866
99 HB THR 13 HB THR 13 26.062 13.692 -0.434
100 HG1 THR 13 HG1 THR 13 24.494 12.402 0.118
101 HG21 THR 13 1HG2 THR 13 25.518 15.769 -1.792
102 HG22 THR 13 2HG2 THR 13 24.751 15.686 -0.207
103 HG23 THR 13 3HG2 THR 13 23.819 15.313 -1.656
104 H SER 14 H SER 14 24.246 11.025 -2.964
105 HA SER 14 HA SER 14 25.607 9.321 -1.188
106 HB2 SER 14 1HB SER 14 24.093 8.544 -3.691
107 HB3 SER 14 2HB SER 14 24.467 7.496 -2.327
108 HG SER 14 HG SER 14 22.402 8.304 -2.052
109 H ILE 15 H ILE 15 26.195 10.063 -4.612
110 HA ILE 15 HA ILE 15 28.071 8.000 -5.088
111 HB ILE 15 HB ILE 15 27.943 10.763 -6.325
112 HG12 ILE 15 1HG1 ILE 15 26.836 8.110 -7.294
113 HG13 ILE 15 2HG1 ILE 15 25.870 9.331 -6.469
114 HG21 ILE 15 1HG2 ILE 15 29.252 8.198 -7.295
115 HG22 ILE 15 2HG2 ILE 15 30.112 9.624 -6.715
116 HG23 ILE 15 3HG2 ILE 15 29.162 9.711 -8.198
117 HD11 ILE 15 1HD1 ILE 15 26.290 10.941 -8.233
118 HD12 ILE 15 2HD1 ILE 15 25.707 9.447 -8.965
119 HD13 ILE 15 3HD1 ILE 15 27.421 9.844 -9.024
120 H LEU 16 H LEU 16 28.445 11.212 -3.619
121 HA LEU 16 HA LEU 16 31.250 11.199 -3.393
122 HB2 LEU 16 1HB LEU 16 29.829 13.164 -2.895
123 HB3 LEU 16 2HB LEU 16 29.237 12.353 -1.448
124 HG LEU 16 HG LEU 16 31.602 12.206 -0.630
125 HD11 LEU 16 1HD1 LEU 16 33.079 14.031 -1.870
126 HD12 LEU 16 2HD1 LEU 16 32.046 13.618 -3.238
127 HD13 LEU 16 3HD1 LEU 16 33.020 12.371 -2.458
128 HD21 LEU 16 1HD2 LEU 16 30.498 14.958 -1.272
129 HD22 LEU 16 2HD2 LEU 16 31.768 14.645 -0.089
130 HD23 LEU 16 3HD2 LEU 16 30.148 13.995 0.163
131 H LEU 17 H LEU 17 28.740 9.719 -1.364
132 HA LEU 17 HA LEU 17 30.450 8.810 0.688
133 HB2 LEU 17 1HB LEU 17 27.968 7.426 -0.353
134 HB3 LEU 17 2HB LEU 17 28.730 7.168 1.213
135 HG LEU 17 HG LEU 17 27.609 9.822 0.268
136 HD11 LEU 17 1HD1 LEU 17 25.797 9.392 1.866
137 HD12 LEU 17 2HD1 LEU 17 26.511 7.833 2.281
138 HD13 LEU 17 3HD1 LEU 17 25.857 8.102 0.665
139 HD21 LEU 17 1HD2 LEU 17 29.317 10.258 1.864
140 HD22 LEU 17 2HD2 LEU 17 28.882 8.850 2.833
141 HD23 LEU 17 3HD2 LEU 17 27.824 10.261 2.804
142 H LEU 18 H LEU 18 29.698 7.428 -2.485
143 HA LEU 18 HA LEU 18 31.037 4.969 -2.140
144 HB2 LEU 18 1HB LEU 18 30.806 6.602 -4.678
145 HB3 LEU 18 2HB LEU 18 31.188 4.885 -4.579
146 HG LEU 18 HG LEU 18 28.622 6.134 -3.553
147 HD11 LEU 18 1HD1 LEU 18 27.555 5.166 -5.502
148 HD12 LEU 18 2HD1 LEU 18 29.068 4.416 -6.011
149 HD13 LEU 18 3HD1 LEU 18 28.895 6.172 -6.056
150 HD21 LEU 18 1HD2 LEU 18 29.086 4.130 -2.326
151 HD22 LEU 18 2HD2 LEU 18 29.649 3.294 -3.773
152 HD23 LEU 18 3HD2 LEU 18 27.936 3.667 -3.580
153 H LEU 19 H LEU 19 32.258 8.163 -3.089
154 HA LEU 19 HA LEU 19 34.948 7.399 -3.469
155 HB2 LEU 19 1HB LEU 19 33.914 10.026 -2.373
156 HB3 LEU 19 2HB LEU 19 35.522 9.739 -3.032
157 HG LEU 19 HG LEU 19 32.953 9.329 -4.587
158 HD11 LEU 19 1HD1 LEU 19 34.044 11.399 -5.840
159 HD12 LEU 19 2HD1 LEU 19 34.780 11.687 -4.265
160 HD13 LEU 19 3HD1 LEU 19 33.025 11.645 -4.424
161 HD21 LEU 19 1HD2 LEU 19 34.642 7.957 -5.532
162 HD22 LEU 19 2HD2 LEU 19 35.897 9.164 -5.247
163 HD23 LEU 19 3HD2 LEU 19 34.686 9.429 -6.502
164 H ALA 20 H ALA 20 33.128 8.024 -0.513
165 HA ALA 20 HA ALA 20 35.274 7.960 1.307
166 HB1 ALA 20 1HB ALA 20 33.679 7.721 2.959
167 HB2 ALA 20 2HB ALA 20 32.699 6.610 2.002
168 HB3 ALA 20 3HB ALA 20 32.676 8.336 1.646
169 H CYS 21 H CYS 21 33.435 5.330 -0.209
170 HA CYS 21 HA CYS 21 34.670 3.184 1.143
171 HB2 CYS 21 1HB CYS 21 33.745 3.217 -1.740
172 HB3 CYS 21 2HB CYS 21 33.972 1.795 -0.724
173 HG CYS 21 HG CYS 21 31.653 2.144 0.051
174 H ILE 22 H ILE 22 35.653 4.996 -1.753
175 HA ILE 22 HA ILE 22 37.957 3.488 -2.357
176 HB ILE 22 HB ILE 22 37.577 6.473 -2.716
177 HG12 ILE 22 1HG1 ILE 22 37.018 4.205 -4.651
178 HG13 ILE 22 2HG1 ILE 22 35.770 5.025 -3.715
179 HG21 ILE 22 1HG2 ILE 22 39.917 5.620 -2.976
180 HG22 ILE 22 2HG2 ILE 22 39.241 6.246 -4.479
181 HG23 ILE 22 3HG2 ILE 22 39.334 4.505 -4.212
182 HD11 ILE 22 1HD1 ILE 22 37.537 6.172 -5.875
183 HD12 ILE 22 2HD1 ILE 22 36.696 7.209 -4.723
184 HD13 ILE 22 3HD1 ILE 22 35.776 6.156 -5.798
185 H PHE 23 H PHE 23 37.425 6.061 0.034
186 HA PHE 23 HA PHE 23 40.110 6.396 0.819
187 HB2 PHE 23 1HB PHE 23 38.147 7.785 1.580
188 HB3 PHE 23 2HB PHE 23 37.741 6.481 2.680
189 HD1 PHE 23 HD1 PHE 23 40.225 9.096 1.876
190 HD2 PHE 23 HD2 PHE 23 39.002 6.096 4.696
191 HE1 PHE 23 HE1 PHE 23 41.803 10.025 3.550
192 HE2 PHE 23 HE2 PHE 23 40.579 7.025 6.369
193 HZ PHE 23 HZ PHE 23 41.979 8.989 5.796
194 H LEU 24 H LEU 24 37.722 3.930 1.722
195 HA LEU 24 HA LEU 24 39.256 2.648 3.713
196 HB2 LEU 24 1HB LEU 24 37.422 1.295 1.722
197 HB3 LEU 24 2HB LEU 24 37.940 0.657 3.277
198 HG LEU 24 HG LEU 24 36.344 3.209 2.918
199 HD11 LEU 24 1HD1 LEU 24 34.862 1.443 2.366
200 HD12 LEU 24 2HD1 LEU 24 34.568 1.737 4.080
201 HD13 LEU 24 3HD1 LEU 24 35.560 0.369 3.577
202 HD21 LEU 24 1HD2 LEU 24 35.984 2.669 5.456
203 HD22 LEU 24 2HD2 LEU 24 37.494 3.432 4.955
204 HD23 LEU 24 3HD2 LEU 24 37.446 1.699 5.280
205 H ILE 25 H ILE 25 39.355 2.374 0.175
206 HA ILE 25 HA ILE 25 41.279 0.308 0.046
207 HB ILE 25 HB ILE 25 41.026 2.631 -1.881
208 HG12 ILE 25 1HG1 ILE 25 39.701 -0.097 -1.963
209 HG13 ILE 25 2HG1 ILE 25 38.880 1.378 -1.450
210 HG21 ILE 25 1HG2 ILE 25 42.080 -0.187 -2.247
211 HG22 ILE 25 2HG2 ILE 25 43.085 1.254 -2.095
212 HG23 ILE 25 3HG2 ILE 25 42.012 1.071 -3.482
213 HD11 ILE 25 1HD1 ILE 25 38.318 1.262 -3.721
214 HD12 ILE 25 2HD1 ILE 25 39.904 0.641 -4.181
215 HD13 ILE 25 3HD1 ILE 25 39.716 2.337 -3.734
216 H LYS 26 H LYS 26 41.649 3.800 0.553
217 HA LYS 26 HA LYS 26 44.462 3.894 0.413
218 HB2 LYS 26 1HB LYS 26 42.978 5.904 0.598
219 HB3 LYS 26 2HB LYS 26 42.756 5.523 2.304
220 HG2 LYS 26 1HG LYS 26 45.216 5.621 2.628
221 HG3 LYS 26 2HG LYS 26 45.396 6.105 0.941
222 HD2 LYS 26 1HD LYS 26 43.903 8.065 1.400
223 HD3 LYS 26 2HD LYS 26 43.907 7.617 3.106
224 HE2 LYS 26 1HE LYS 26 46.504 7.995 1.631
225 HE3 LYS 26 2HE LYS 26 45.637 9.386 2.282
226 HZ1 LYS 26 1HZ LYS 26 47.112 8.682 3.953
227 HZ2 LYS 26 2HZ LYS 26 46.692 7.047 3.760
228 HZ3 LYS 26 3HZ LYS 26 45.582 8.137 4.442
229 H ILE 27 H ILE 27 42.315 2.877 3.040
230 HA ILE 27 HA ILE 27 44.284 2.591 5.042
231 HB ILE 27 HB ILE 27 41.877 0.799 4.632
232 HG12 ILE 27 1HG1 ILE 27 42.128 3.340 6.272
233 HG13 ILE 27 2HG1 ILE 27 41.353 3.265 4.689
234 HG21 ILE 27 1HG2 ILE 27 42.064 0.395 7.019
235 HG22 ILE 27 2HG2 ILE 27 43.401 1.540 7.144
236 HG23 ILE 27 3HG2 ILE 27 43.615 0.026 6.265
237 HD11 ILE 27 1HD1 ILE 27 40.510 1.795 7.200
238 HD12 ILE 27 2HD1 ILE 27 39.820 1.490 5.606
239 HD13 ILE 27 3HD1 ILE 27 39.622 3.069 6.365
240 H LEU 28 H LEU 28 43.344 0.431 2.387
241 HA LEU 28 HA LEU 28 45.069 -1.711 3.017
242 HB2 LEU 28 1HB LEU 28 43.360 -1.687 1.156
243 HB3 LEU 28 2HB LEU 28 44.510 -0.739 0.212
244 HG LEU 28 HG LEU 28 46.212 -2.576 0.663
245 HD11 LEU 28 1HD1 LEU 28 45.330 -3.796 2.467
246 HD12 LEU 28 2HD1 LEU 28 44.962 -4.829 1.085
247 HD13 LEU 28 3HD1 LEU 28 43.704 -3.809 1.783
248 HD21 LEU 28 1HD2 LEU 28 45.289 -2.487 -1.522
249 HD22 LEU 28 2HD2 LEU 28 43.701 -3.012 -0.962
250 HD23 LEU 28 3HD2 LEU 28 45.043 -4.156 -1.010
251 H ALA 29 H ALA 29 45.714 1.372 1.413
252 HA ALA 29 HA ALA 29 48.446 0.969 0.841
253 HB1 ALA 29 1HB ALA 29 47.512 3.633 1.816
254 HB2 ALA 29 2HB ALA 29 46.809 2.984 0.333
255 HB3 ALA 29 3HB ALA 29 48.551 3.237 0.447
256 H ALA 30 H ALA 30 46.814 1.873 3.844
257 HA ALA 30 HA ALA 30 49.065 2.526 5.390
258 HB1 ALA 30 1HB ALA 30 46.492 2.562 5.950
259 HB2 ALA 30 2HB ALA 30 47.678 2.350 7.237
260 HB3 ALA 30 3HB ALA 30 46.819 0.953 6.592
261 H SER 31 H SER 31 47.641 -0.619 4.600
262 HA SER 31 HA SER 31 49.344 -2.250 6.139
263 HB2 SER 31 1HB SER 31 47.348 -3.044 4.843
264 HB3 SER 31 2HB SER 31 48.297 -2.872 3.370
265 HG SER 31 HG SER 31 48.266 -5.007 4.473
266 H ALA 32 H ALA 32 49.861 -0.664 3.014
267 HA ALA 32 HA ALA 32 52.301 -1.914 2.344
268 HB1 ALA 32 1HB ALA 32 51.836 0.986 1.747
269 HB2 ALA 32 2HB ALA 32 50.795 -0.228 1.004
270 HB3 ALA 32 3HB ALA 32 52.535 -0.268 0.723
271 H LEU 33 H LEU 33 51.585 0.935 4.350
272 HA LEU 33 HA LEU 33 54.252 1.697 4.845
273 HB2 LEU 33 1HB LEU 33 51.679 2.077 6.342
274 HB3 LEU 33 2HB LEU 33 53.208 2.578 7.067
275 HG LEU 33 HG LEU 33 53.681 3.851 4.919
276 HD11 LEU 33 1HD1 LEU 33 50.884 2.886 4.412
277 HD12 LEU 33 2HD1 LEU 33 52.246 2.983 3.298
278 HD13 LEU 33 3HD1 LEU 33 51.387 4.449 3.771
279 HD21 LEU 33 1HD2 LEU 33 52.437 5.761 5.639
280 HD22 LEU 33 2HD2 LEU 33 52.737 4.813 7.097
281 HD23 LEU 33 3HD2 LEU 33 51.155 4.758 6.318
282 H TRP 34 H TRP 34 52.190 -0.707 6.460
283 HA TRP 34 HA TRP 34 54.024 -1.419 8.483
284 HB2 TRP 34 1HB TRP 34 51.890 -2.989 7.073
285 HB3 TRP 34 2HB TRP 34 52.936 -3.740 8.258
286 HD1 TRP 34 HD1 TRP 34 49.884 -1.632 7.905
287 HE1 TRP 34 HE1 TRP 34 48.989 -0.986 10.233
288 HE3 TRP 34 HE3 TRP 34 53.825 -3.101 10.802
289 HZ2 TRP 34 HZ2 TRP 34 49.834 -1.081 12.970
290 HZ3 TRP 34 HZ3 TRP 34 53.754 -2.813 13.259
291 HH2 TRP 34 HH2 TRP 34 51.768 -1.806 14.348
292 H ALA 35 H ALA 35 53.886 -2.334 5.075
293 HA ALA 35 HA ALA 35 55.978 -4.218 5.079
294 HB1 ALA 35 1HB ALA 35 56.028 -3.971 2.769
295 HB2 ALA 35 2HB ALA 35 55.685 -2.242 2.843
296 HB3 ALA 35 3HB ALA 35 54.400 -3.411 3.151
297 H ALA 36 H ALA 36 56.045 -0.682 4.985
298 HA ALA 36 HA ALA 36 58.808 -0.342 4.577
299 HB1 ALA 36 1HB ALA 36 57.352 1.482 6.446
300 HB2 ALA 36 2HB ALA 36 56.827 1.400 4.763
301 HB3 ALA 36 3HB ALA 36 58.483 1.872 5.150
302 H ALA 37 H ALA 37 56.956 -0.893 7.550
303 HA ALA 37 HA ALA 37 59.113 -0.753 9.364
304 HB1 ALA 37 1HB ALA 37 56.688 -0.831 9.979
305 HB2 ALA 37 2HB ALA 37 57.695 -1.944 10.904
306 HB3 ALA 37 3HB ALA 37 56.692 -2.549 9.585
307 H TRP 38 H TRP 38 57.863 -3.444 7.437
308 HA TRP 38 HA TRP 38 59.434 -5.506 8.456
309 HB2 TRP 38 1HB TRP 38 57.580 -5.794 6.840
310 HB3 TRP 38 2HB TRP 38 58.611 -5.146 5.580
311 HD1 TRP 38 HD1 TRP 38 60.075 -6.795 4.317
312 HE1 TRP 38 HE1 TRP 38 60.683 -9.283 4.594
313 HE3 TRP 38 HE3 TRP 38 57.972 -7.713 8.880
314 HZ2 TRP 38 HZ2 TRP 38 60.325 -11.389 6.500
315 HZ3 TRP 38 HZ3 TRP 38 58.121 -9.963 9.900
316 HH2 TRP 38 HH2 TRP 38 59.292 -11.802 8.720
317 H HIS 39 H HIS 39 60.338 -2.988 6.134
318 HA HIS 39 HA HIS 39 62.985 -4.061 5.751
319 HB2 HIS 39 1HB HIS 39 61.925 -1.252 5.370
320 HB3 HIS 39 2HB HIS 39 63.500 -1.815 4.844
321 HD1 HIS 39 HD1 HIS 39 63.396 -3.850 3.014
322 HD2 HIS 39 HD2 HIS 39 59.926 -1.594 3.501
323 HE1 HIS 39 HE1 HIS 39 61.968 -4.286 0.970
324 H GLY 40 H GLY 40 61.969 -1.034 7.359
325 HA2 GLY 40 1HA GLY 40 63.290 -1.996 9.797
326 HA3 GLY 40 2HA GLY 40 63.721 -0.397 9.197
327 H GLN 41 H GLN 41 61.605 -2.049 11.226
328 HA GLN 41 HA GLN 41 59.473 -0.349 11.482
329 HB2 GLN 41 1HB GLN 41 59.498 -0.850 13.882
330 HB3 GLN 41 2HB GLN 41 59.857 -2.295 12.940
331 HG2 GLN 41 1HG GLN 41 62.275 -1.941 13.331
332 HG3 GLN 41 2HG GLN 41 61.902 -0.517 14.299
333 HE21 GLN 41 1HE2 GLN 41 61.195 -0.843 16.472
334 HE22 GLN 41 2HE2 GLN 41 61.055 -2.381 17.176
335 H LYS 42 H LYS 42 59.063 1.639 12.475
336 HA LYS 42 HA LYS 42 59.505 3.888 12.713
337 HB2 LYS 42 1HB LYS 42 61.220 2.447 14.703
338 HB3 LYS 42 2HB LYS 42 61.322 4.203 14.585
339 HG2 LYS 42 1HG LYS 42 59.648 3.806 16.220
340 HG3 LYS 42 2HG LYS 42 58.754 4.194 14.749
341 HD2 LYS 42 1HD LYS 42 58.304 1.873 14.313
342 HD3 LYS 42 2HD LYS 42 59.406 1.360 15.591
343 HE2 LYS 42 1HE LYS 42 57.968 2.342 17.292
344 HE3 LYS 42 2HE LYS 42 56.902 3.005 16.053
345 HZ1 LYS 42 1HZ LYS 42 56.186 0.850 17.117
346 HZ2 LYS 42 2HZ LYS 42 57.459 0.107 16.274
347 HZ3 LYS 42 3HZ LYS 42 56.206 0.874 15.420
348 HA PRO 43 HA PRO 43 63.374 3.379 9.992
349 HB2 PRO 43 1HB PRO 43 62.379 4.773 7.811
350 HB3 PRO 43 2HB PRO 43 62.310 3.013 8.010
351 HG2 PRO 43 1HG PRO 43 60.206 5.050 8.499
352 HG3 PRO 43 2HG PRO 43 60.069 3.419 7.814
353 HD2 PRO 43 1HD PRO 43 59.355 3.952 10.369
354 HD3 PRO 43 2HD PRO 43 60.058 2.391 9.897
355 H GLY 44 H GLY 44 61.372 6.099 10.892
356 HA2 GLY 44 1HA GLY 44 61.856 8.312 11.312
357 HA3 GLY 44 2HA GLY 44 63.513 7.775 11.586
358 H THR 45 H THR 45 65.050 8.104 10.033
359 HA THR 45 HA THR 45 64.713 10.064 8.071
360 HB THR 45 HB THR 45 66.915 9.443 8.927
361 HG1 THR 45 HG1 THR 45 67.871 9.013 6.738
362 HG21 THR 45 1HG2 THR 45 66.485 7.019 9.173
363 HG22 THR 45 2HG2 THR 45 67.964 7.324 8.263
364 HG23 THR 45 3HG2 THR 45 66.491 6.849 7.418
365 H HIS 46 H HIS 46 64.395 10.001 5.851
366 HA HIS 46 HA HIS 46 62.714 7.915 4.873
367 HB2 HIS 46 1HB HIS 46 62.814 9.129 2.745
368 HB3 HIS 46 2HB HIS 46 62.474 10.202 4.088
369 HD1 HIS 46 HD1 HIS 46 65.123 9.334 1.572
370 HD2 HIS 46 HD2 HIS 46 64.490 12.140 4.590
371 HE1 HIS 46 HE1 HIS 46 66.928 11.088 1.307
Start of MODEL 19
1 H ARG 1 3H ARG 1 19.194 38.903 3.030
2 HA ARG 1 HA ARG 1 20.718 37.210 3.526
3 HB2 ARG 1 1HB ARG 1 20.057 35.152 4.665
4 HB3 ARG 1 2HB ARG 1 19.639 36.546 5.656
5 HG2 ARG 1 1HG ARG 1 17.304 36.418 4.683
6 HG3 ARG 1 2HG ARG 1 17.770 34.884 3.947
7 HD2 ARG 1 1HD ARG 1 18.381 34.028 6.209
8 HD3 ARG 1 2HD ARG 1 17.777 35.528 6.905
9 HE ARG 1 HE ARG 1 16.207 33.311 6.009
10 HH11 ARG 1 1HH1 ARG 1 16.145 36.812 6.273
11 HH12 ARG 1 2HH1 ARG 1 14.415 36.876 6.333
12 HH21 ARG 1 1HH2 ARG 1 13.982 33.458 6.091
13 HH22 ARG 1 2HH2 ARG 1 13.207 35.000 6.231
14 H SER 2 H SER 2 21.235 36.295 1.658
15 HA SER 2 HA SER 2 19.476 36.043 -0.500
16 HB2 SER 2 1HB SER 2 22.093 34.589 -0.049
17 HB3 SER 2 2HB SER 2 21.275 34.787 -1.596
18 HG SER 2 HG SER 2 22.599 36.664 0.015
19 H LEU 3 H LEU 3 18.395 34.341 -1.426
20 HA LEU 3 HA LEU 3 17.291 32.343 0.184
21 HB2 LEU 3 1HB LEU 3 17.611 32.331 -2.824
22 HB3 LEU 3 2HB LEU 3 16.478 31.348 -1.899
23 HG LEU 3 HG LEU 3 16.511 34.382 -1.920
24 HD11 LEU 3 1HD1 LEU 3 15.775 33.654 -4.079
25 HD12 LEU 3 2HD1 LEU 3 14.312 34.014 -3.164
26 HD13 LEU 3 3HD1 LEU 3 14.824 32.342 -3.386
27 HD21 LEU 3 1HD2 LEU 3 14.131 33.846 -0.960
28 HD22 LEU 3 2HD2 LEU 3 15.525 33.757 0.118
29 HD23 LEU 3 3HD2 LEU 3 14.837 32.280 -0.560
30 H LEU 4 H LEU 4 20.372 32.373 -1.437
31 HA LEU 4 HA LEU 4 20.729 29.640 -1.956
32 HB2 LEU 4 1HB LEU 4 22.178 31.492 -2.757
33 HB3 LEU 4 2HB LEU 4 22.838 31.646 -1.134
34 HG LEU 4 HG LEU 4 22.876 28.899 -2.318
35 HD11 LEU 4 1HD1 LEU 4 24.988 30.892 -3.140
36 HD12 LEU 4 2HD1 LEU 4 23.583 30.565 -4.154
37 HD13 LEU 4 3HD1 LEU 4 24.711 29.266 -3.765
38 HD21 LEU 4 1HD2 LEU 4 23.906 29.019 -0.208
39 HD22 LEU 4 2HD2 LEU 4 24.608 30.602 -0.535
40 HD23 LEU 4 3HD2 LEU 4 25.281 29.163 -1.300
41 H GLU 5 H GLU 5 20.895 31.411 1.066
42 HA GLU 5 HA GLU 5 22.220 29.213 2.452
43 HB2 GLU 5 1HB GLU 5 22.642 31.621 2.988
44 HB3 GLU 5 2HB GLU 5 20.997 31.719 3.613
45 HG2 GLU 5 1HG GLU 5 21.526 29.893 5.217
46 HG3 GLU 5 2HG GLU 5 23.179 29.869 4.619
47 H GLY 6 H GLY 6 18.938 30.229 1.852
48 HA2 GLY 6 1HA GLY 6 17.889 28.481 3.943
49 HA3 GLY 6 2HA GLY 6 16.949 29.515 2.881
50 H GLU 7 H GLU 7 19.133 27.720 0.990
51 HA GLU 7 HA GLU 7 16.860 26.226 -0.056
52 HB2 GLU 7 1HB GLU 7 18.409 27.541 -1.528
53 HB3 GLU 7 2HB GLU 7 19.687 26.398 -1.119
54 HG2 GLU 7 1HG GLU 7 18.275 24.547 -1.993
55 HG3 GLU 7 2HG GLU 7 17.053 25.722 -2.459
56 H ILE 8 H ILE 8 16.801 24.010 -0.320
57 HA ILE 8 HA ILE 8 18.230 22.472 1.643
58 HB ILE 8 HB ILE 8 16.891 20.572 0.789
59 HG12 ILE 8 1HG1 ILE 8 15.740 22.606 -1.148
60 HG13 ILE 8 2HG1 ILE 8 16.891 21.350 -1.605
61 HG21 ILE 8 1HG2 ILE 8 15.956 22.113 2.479
62 HG22 ILE 8 2HG2 ILE 8 14.696 21.495 1.412
63 HG23 ILE 8 3HG2 ILE 8 15.313 23.132 1.192
64 HD11 ILE 8 1HD1 ILE 8 15.218 19.699 -0.529
65 HD12 ILE 8 2HD1 ILE 8 14.789 20.392 -2.093
66 HD13 ILE 8 3HD1 ILE 8 14.061 21.027 -0.617
67 HA PRO 9 HA PRO 9 21.589 21.358 -1.037
68 HB2 PRO 9 1HB PRO 9 22.329 18.907 -0.047
69 HB3 PRO 9 2HB PRO 9 22.728 20.446 0.740
70 HG2 PRO 9 1HG PRO 9 20.583 18.495 1.385
71 HG3 PRO 9 2HG PRO 9 21.604 19.456 2.469
72 HD2 PRO 9 1HD PRO 9 19.023 20.132 1.905
73 HD3 PRO 9 2HD PRO 9 20.272 21.334 2.295
74 H PHE 10 H PHE 10 22.053 20.103 -2.880
75 HA PHE 10 HA PHE 10 19.842 19.238 -4.313
76 HB2 PHE 10 1HB PHE 10 22.684 18.359 -4.810
77 HB3 PHE 10 2HB PHE 10 21.384 18.446 -5.984
78 HD1 PHE 10 HD1 PHE 10 20.196 21.089 -5.385
79 HD2 PHE 10 HD2 PHE 10 24.310 19.863 -5.544
80 HE1 PHE 10 HE1 PHE 10 20.868 23.414 -5.926
81 HE2 PHE 10 HE2 PHE 10 24.982 22.188 -6.085
82 HZ PHE 10 HZ PHE 10 23.261 23.964 -6.275
83 HA PRO 11 HA PRO 11 18.935 15.214 -2.762
84 HB2 PRO 11 1HB PRO 11 18.586 14.208 -5.533
85 HB3 PRO 11 2HB PRO 11 17.450 14.218 -4.172
86 HG2 PRO 11 1HG PRO 11 17.196 15.886 -6.231
87 HG3 PRO 11 2HG PRO 11 16.767 16.360 -4.577
88 HD2 PRO 11 1HD PRO 11 19.166 17.125 -6.187
89 HD3 PRO 11 2HD PRO 11 18.258 18.064 -4.981
90 HA PRO 12 HA PRO 12 22.362 12.511 -5.042
91 HB2 PRO 12 1HB PRO 12 24.232 14.775 -5.583
92 HB3 PRO 12 2HB PRO 12 23.991 13.270 -6.490
93 HG2 PRO 12 1HG PRO 12 23.043 15.583 -7.380
94 HG3 PRO 12 2HG PRO 12 22.149 14.067 -7.598
95 HD2 PRO 12 1HD PRO 12 21.602 16.313 -5.714
96 HD3 PRO 12 2HD PRO 12 20.467 15.198 -6.505
97 H THR 13 H THR 13 23.792 11.625 -3.592
98 HA THR 13 HA THR 13 25.389 13.190 -1.795
99 HB THR 13 HB THR 13 23.280 11.541 -0.423
100 HG1 THR 13 HG1 THR 13 21.911 13.003 -1.027
101 HG21 THR 13 1HG2 THR 13 25.394 12.251 0.737
102 HG22 THR 13 2HG2 THR 13 23.922 12.859 1.495
103 HG23 THR 13 3HG2 THR 13 24.902 13.927 0.492
104 H SER 14 H SER 14 23.777 10.021 -2.171
105 HA SER 14 HA SER 14 25.641 8.557 -0.659
106 HB2 SER 14 1HB SER 14 24.676 6.584 -1.684
107 HB3 SER 14 2HB SER 14 23.391 7.738 -1.346
108 HG SER 14 HG SER 14 23.365 8.301 -3.495
109 H ILE 15 H ILE 15 25.694 9.560 -4.057
110 HA ILE 15 HA ILE 15 27.758 7.839 -4.935
111 HB ILE 15 HB ILE 15 27.187 10.682 -5.824
112 HG12 ILE 15 1HG1 ILE 15 26.199 8.053 -6.974
113 HG13 ILE 15 2HG1 ILE 15 25.233 9.095 -5.929
114 HG21 ILE 15 1HG2 ILE 15 28.312 10.054 -7.881
115 HG22 ILE 15 2HG2 ILE 15 28.519 8.398 -7.312
116 HG23 ILE 15 3HG2 ILE 15 29.399 9.713 -6.535
117 HD11 ILE 15 1HD1 ILE 15 24.699 9.574 -8.264
118 HD12 ILE 15 2HD1 ILE 15 26.404 9.848 -8.623
119 HD13 ILE 15 3HD1 ILE 15 25.538 10.956 -7.559
120 H LEU 16 H LEU 16 27.867 10.976 -3.245
121 HA LEU 16 HA LEU 16 30.670 11.262 -3.166
122 HB2 LEU 16 1HB LEU 16 28.999 12.976 -2.422
123 HB3 LEU 16 2HB LEU 16 28.719 12.006 -0.976
124 HG LEU 16 HG LEU 16 31.301 12.128 -0.671
125 HD11 LEU 16 1HD1 LEU 16 31.016 14.707 -2.183
126 HD12 LEU 16 2HD1 LEU 16 31.396 13.228 -3.063
127 HD13 LEU 16 3HD1 LEU 16 32.477 13.801 -1.792
128 HD21 LEU 16 1HD2 LEU 16 29.903 13.225 0.912
129 HD22 LEU 16 2HD2 LEU 16 29.374 14.422 -0.271
130 HD23 LEU 16 3HD2 LEU 16 31.022 14.469 0.355
131 H LEU 17 H LEU 17 28.454 9.346 -1.171
132 HA LEU 17 HA LEU 17 30.302 8.468 0.759
133 HB2 LEU 17 1HB LEU 17 27.686 8.068 0.411
134 HB3 LEU 17 2HB LEU 17 28.253 6.562 -0.295
135 HG LEU 17 HG LEU 17 27.770 6.198 2.048
136 HD11 LEU 17 1HD1 LEU 17 29.977 5.307 0.931
137 HD12 LEU 17 2HD1 LEU 17 29.714 5.096 2.662
138 HD13 LEU 17 3HD1 LEU 17 30.760 6.393 2.081
139 HD21 LEU 17 1HD2 LEU 17 28.171 8.705 2.578
140 HD22 LEU 17 2HD2 LEU 17 29.852 8.231 2.824
141 HD23 LEU 17 3HD2 LEU 17 28.581 7.517 3.816
142 H LEU 18 H LEU 18 29.667 7.308 -2.528
143 HA LEU 18 HA LEU 18 31.270 4.989 -2.434
144 HB2 LEU 18 1HB LEU 18 30.821 6.827 -4.799
145 HB3 LEU 18 2HB LEU 18 31.386 5.159 -4.871
146 HG LEU 18 HG LEU 18 28.721 6.017 -3.706
147 HD11 LEU 18 1HD1 LEU 18 29.277 4.590 -6.321
148 HD12 LEU 18 2HD1 LEU 18 28.976 6.323 -6.206
149 HD13 LEU 18 3HD1 LEU 18 27.721 5.178 -5.735
150 HD21 LEU 18 1HD2 LEU 18 30.132 3.384 -4.103
151 HD22 LEU 18 2HD2 LEU 18 28.369 3.451 -4.107
152 HD23 LEU 18 3HD2 LEU 18 29.268 3.973 -2.683
153 H LEU 19 H LEU 19 32.118 8.378 -3.084
154 HA LEU 19 HA LEU 19 34.864 7.974 -3.591
155 HB2 LEU 19 1HB LEU 19 33.610 10.312 -2.133
156 HB3 LEU 19 2HB LEU 19 35.192 10.289 -2.906
157 HG LEU 19 HG LEU 19 32.560 9.841 -4.345
158 HD11 LEU 19 1HD1 LEU 19 34.370 12.215 -4.710
159 HD12 LEU 19 2HD1 LEU 19 33.200 12.201 -3.391
160 HD13 LEU 19 3HD1 LEU 19 32.648 12.066 -5.060
161 HD21 LEU 19 1HD2 LEU 19 34.151 10.311 -6.342
162 HD22 LEU 19 2HD2 LEU 19 34.234 8.718 -5.588
163 HD23 LEU 19 3HD2 LEU 19 35.452 9.936 -5.211
164 H ALA 20 H ALA 20 33.080 8.135 -0.548
165 HA ALA 20 HA ALA 20 35.277 8.129 1.212
166 HB1 ALA 20 1HB ALA 20 32.850 6.530 1.896
167 HB2 ALA 20 2HB ALA 20 32.659 8.262 1.623
168 HB3 ALA 20 3HB ALA 20 33.753 7.683 2.879
169 H CYS 21 H CYS 21 33.625 5.469 -0.447
170 HA CYS 21 HA CYS 21 34.985 3.339 0.796
171 HB2 CYS 21 1HB CYS 21 33.968 3.534 -2.050
172 HB3 CYS 21 2HB CYS 21 34.425 2.041 -1.231
173 HG CYS 21 HG CYS 21 32.095 2.019 -0.394
174 H ILE 22 H ILE 22 35.857 5.346 -2.004
175 HA ILE 22 HA ILE 22 38.212 3.975 -2.723
176 HB ILE 22 HB ILE 22 37.667 6.952 -2.903
177 HG12 ILE 22 1HG1 ILE 22 37.215 4.769 -4.960
178 HG13 ILE 22 2HG1 ILE 22 35.935 5.462 -3.963
179 HG21 ILE 22 1HG2 ILE 22 40.045 6.326 -3.252
180 HG22 ILE 22 2HG2 ILE 22 39.296 6.887 -4.748
181 HG23 ILE 22 3HG2 ILE 22 39.547 5.162 -4.480
182 HD11 ILE 22 1HD1 ILE 22 35.922 6.633 -6.072
183 HD12 ILE 22 2HD1 ILE 22 37.660 6.912 -5.986
184 HD13 ILE 22 3HD1 ILE 22 36.579 7.732 -4.859
185 H PHE 23 H PHE 23 37.629 6.459 -0.245
186 HA PHE 23 HA PHE 23 40.306 6.810 0.562
187 HB2 PHE 23 1HB PHE 23 38.347 8.165 1.343
188 HB3 PHE 23 2HB PHE 23 37.896 6.821 2.376
189 HD1 PHE 23 HD1 PHE 23 39.204 6.258 4.361
190 HD2 PHE 23 HD2 PHE 23 40.302 9.540 1.816
191 HE1 PHE 23 HE1 PHE 23 40.731 7.111 6.120
192 HE2 PHE 23 HE2 PHE 23 41.829 10.393 3.575
193 HZ PHE 23 HZ PHE 23 42.042 9.178 5.727
194 H LEU 24 H LEU 24 37.950 4.297 1.385
195 HA LEU 24 HA LEU 24 39.437 3.003 3.395
196 HB2 LEU 24 1HB LEU 24 37.050 2.530 2.673
197 HB3 LEU 24 2HB LEU 24 37.726 1.595 1.342
198 HG LEU 24 HG LEU 24 38.725 1.026 4.112
199 HD11 LEU 24 1HD1 LEU 24 36.169 1.156 4.157
200 HD12 LEU 24 2HD1 LEU 24 36.878 -0.377 4.664
201 HD13 LEU 24 3HD1 LEU 24 36.181 -0.219 3.051
202 HD21 LEU 24 1HD2 LEU 24 38.461 -1.359 2.975
203 HD22 LEU 24 2HD2 LEU 24 39.811 -0.314 2.548
204 HD23 LEU 24 3HD2 LEU 24 38.402 -0.404 1.493
205 H ILE 25 H ILE 25 39.609 2.754 -0.142
206 HA ILE 25 HA ILE 25 41.527 0.686 -0.268
207 HB ILE 25 HB ILE 25 41.276 3.055 -2.141
208 HG12 ILE 25 1HG1 ILE 25 40.002 0.307 -2.312
209 HG13 ILE 25 2HG1 ILE 25 39.151 1.755 -1.770
210 HG21 ILE 25 1HG2 ILE 25 42.363 0.263 -2.610
211 HG22 ILE 25 2HG2 ILE 25 43.366 1.691 -2.352
212 HG23 ILE 25 3HG2 ILE 25 42.328 1.588 -3.774
213 HD11 ILE 25 1HD1 ILE 25 40.360 1.247 -4.498
214 HD12 ILE 25 2HD1 ILE 25 39.802 2.834 -3.971
215 HD13 ILE 25 3HD1 ILE 25 38.659 1.498 -4.108
216 H LYS 26 H LYS 26 41.897 4.175 0.269
217 HA LYS 26 HA LYS 26 44.710 4.279 0.203
218 HB2 LYS 26 1HB LYS 26 43.093 6.235 0.402
219 HB3 LYS 26 2HB LYS 26 43.010 5.867 2.124
220 HG2 LYS 26 1HG LYS 26 45.589 5.945 2.075
221 HG3 LYS 26 2HG LYS 26 45.403 6.750 0.515
222 HD2 LYS 26 1HD LYS 26 44.010 7.689 3.034
223 HD3 LYS 26 2HD LYS 26 45.575 8.312 2.508
224 HE2 LYS 26 1HE LYS 26 44.358 8.711 0.224
225 HE3 LYS 26 2HE LYS 26 42.888 8.609 1.192
226 HZ1 LYS 26 1HZ LYS 26 43.594 10.877 1.073
227 HZ2 LYS 26 2HZ LYS 26 45.158 10.476 1.603
228 HZ3 LYS 26 3HZ LYS 26 43.836 10.326 2.659
229 H ILE 27 H ILE 27 42.497 3.276 2.782
230 HA ILE 27 HA ILE 27 44.417 2.975 4.827
231 HB ILE 27 HB ILE 27 42.009 1.200 4.385
232 HG12 ILE 27 1HG1 ILE 27 41.304 3.544 4.346
233 HG13 ILE 27 2HG1 ILE 27 40.819 2.799 5.863
234 HG21 ILE 27 1HG2 ILE 27 43.567 0.376 6.077
235 HG22 ILE 27 2HG2 ILE 27 42.103 0.984 6.849
236 HG23 ILE 27 3HG2 ILE 27 43.576 1.954 6.863
237 HD11 ILE 27 1HD1 ILE 27 43.360 3.843 6.419
238 HD12 ILE 27 2HD1 ILE 27 41.815 4.548 6.885
239 HD13 ILE 27 3HD1 ILE 27 42.601 5.061 5.395
240 H LEU 28 H LEU 28 43.500 0.813 2.174
241 HA LEU 28 HA LEU 28 45.094 -1.392 2.901
242 HB2 LEU 28 1HB LEU 28 43.443 -1.349 1.010
243 HB3 LEU 28 2HB LEU 28 44.625 -0.434 0.073
244 HG LEU 28 HG LEU 28 46.278 -2.305 0.539
245 HD11 LEU 28 1HD1 LEU 28 45.017 -4.525 1.008
246 HD12 LEU 28 2HD1 LEU 28 43.739 -3.494 1.650
247 HD13 LEU 28 3HD1 LEU 28 45.347 -3.460 2.374
248 HD21 LEU 28 1HD2 LEU 28 45.215 -2.122 -1.638
249 HD22 LEU 28 2HD2 LEU 28 43.741 -2.875 -1.025
250 HD23 LEU 28 3HD2 LEU 28 45.221 -3.822 -1.169
251 H ALA 29 H ALA 29 45.942 1.617 1.255
252 HA ALA 29 HA ALA 29 48.643 1.025 0.702
253 HB1 ALA 29 1HB ALA 29 47.716 3.750 1.578
254 HB2 ALA 29 2HB ALA 29 47.241 3.082 0.016
255 HB3 ALA 29 3HB ALA 29 48.947 3.332 0.386
256 H ALA 30 H ALA 30 47.077 2.195 3.651
257 HA ALA 30 HA ALA 30 49.382 2.738 5.161
258 HB1 ALA 30 1HB ALA 30 46.802 3.027 5.687
259 HB2 ALA 30 2HB ALA 30 47.981 2.868 6.990
260 HB3 ALA 30 3HB ALA 30 47.025 1.472 6.490
261 H SER 31 H SER 31 47.681 -0.308 4.563
262 HA SER 31 HA SER 31 49.188 -1.970 6.261
263 HB2 SER 31 1HB SER 31 48.088 -2.664 3.527
264 HB3 SER 31 2HB SER 31 48.531 -3.802 4.795
265 HG SER 31 HG SER 31 46.247 -3.213 4.664
266 H ALA 32 H ALA 32 49.907 -0.696 3.032
267 HA ALA 32 HA ALA 32 52.229 -2.229 2.534
268 HB1 ALA 32 1HB ALA 32 52.019 0.634 1.661
269 HB2 ALA 32 2HB ALA 32 50.915 -0.569 0.993
270 HB3 ALA 32 3HB ALA 32 52.656 -0.757 0.783
271 H LEU 33 H LEU 33 51.741 0.834 4.271
272 HA LEU 33 HA LEU 33 54.449 1.444 4.724
273 HB2 LEU 33 1HB LEU 33 52.474 2.934 5.167
274 HB3 LEU 33 2HB LEU 33 52.160 1.993 6.623
275 HG LEU 33 HG LEU 33 54.931 3.064 6.217
276 HD11 LEU 33 1HD1 LEU 33 52.797 4.786 7.471
277 HD12 LEU 33 2HD1 LEU 33 53.157 4.900 5.748
278 HD13 LEU 33 3HD1 LEU 33 54.414 5.247 6.936
279 HD21 LEU 33 1HD2 LEU 33 54.421 3.450 8.792
280 HD22 LEU 33 2HD2 LEU 33 54.786 1.835 8.193
281 HD23 LEU 33 3HD2 LEU 33 53.114 2.308 8.484
282 H TRP 34 H TRP 34 52.212 -0.656 6.522
283 HA TRP 34 HA TRP 34 53.974 -1.330 8.621
284 HB2 TRP 34 1HB TRP 34 51.772 -2.907 7.311
285 HB3 TRP 34 2HB TRP 34 52.698 -3.524 8.663
286 HD1 TRP 34 HD1 TRP 34 49.511 -2.190 8.165
287 HE1 TRP 34 HE1 TRP 34 48.646 -0.811 10.162
288 HE3 TRP 34 HE3 TRP 34 53.907 -1.351 10.624
289 HZ2 TRP 34 HZ2 TRP 34 49.684 0.481 12.500
290 HZ3 TRP 34 HZ3 TRP 34 53.941 -0.046 12.726
291 HH2 TRP 34 HH2 TRP 34 51.840 0.870 13.668
292 H ALA 35 H ALA 35 53.764 -2.546 5.311
293 HA ALA 35 HA ALA 35 55.683 -4.596 5.513
294 HB1 ALA 35 1HB ALA 35 54.185 -3.856 3.503
295 HB2 ALA 35 2HB ALA 35 55.767 -4.567 3.185
296 HB3 ALA 35 3HB ALA 35 55.553 -2.819 3.098
297 H ALA 36 H ALA 36 56.056 -1.106 5.073
298 HA ALA 36 HA ALA 36 58.834 -1.041 4.641
299 HB1 ALA 36 1HB ALA 36 58.716 1.248 5.059
300 HB2 ALA 36 2HB ALA 36 57.466 1.060 6.291
301 HB3 ALA 36 3HB ALA 36 57.059 0.874 4.584
302 H ALA 37 H ALA 37 56.961 -1.151 7.649
303 HA ALA 37 HA ALA 37 59.127 -0.984 9.449
304 HB1 ALA 37 1HB ALA 37 56.536 -1.006 9.857
305 HB2 ALA 37 2HB ALA 37 57.629 -1.621 11.095
306 HB3 ALA 37 3HB ALA 37 56.779 -2.743 10.034
307 H TRP 38 H TRP 38 57.691 -3.758 7.789
308 HA TRP 38 HA TRP 38 59.152 -5.814 8.971
309 HB2 TRP 38 1HB TRP 38 57.253 -6.036 7.331
310 HB3 TRP 38 2HB TRP 38 58.408 -5.700 6.056
311 HD1 TRP 38 HD1 TRP 38 57.260 -8.389 8.445
312 HE1 TRP 38 HE1 TRP 38 58.428 -10.608 7.854
313 HE3 TRP 38 HE3 TRP 38 60.667 -6.708 5.034
314 HZ2 TRP 38 HZ2 TRP 38 60.537 -11.548 6.157
315 HZ3 TRP 38 HZ3 TRP 38 62.240 -8.280 3.949
316 HH2 TRP 38 HH2 TRP 38 62.182 -10.695 4.504
317 H HIS 39 H HIS 39 60.168 -3.562 6.434
318 HA HIS 39 HA HIS 39 62.735 -4.819 6.089
319 HB2 HIS 39 1HB HIS 39 61.812 -3.331 4.374
320 HB3 HIS 39 2HB HIS 39 61.812 -1.996 5.511
321 HD1 HIS 39 HD1 HIS 39 64.376 -1.460 6.490
322 HD2 HIS 39 HD2 HIS 39 64.066 -3.400 2.813
323 HE1 HIS 39 HE1 HIS 39 66.604 -1.151 5.329
324 H GLY 40 H GLY 40 61.938 -1.630 7.496
325 HA2 GLY 40 1HA GLY 40 63.259 -2.503 9.968
326 HA3 GLY 40 2HA GLY 40 63.759 -0.970 9.255
327 H GLN 41 H GLN 41 61.634 -2.367 11.434
328 HA GLN 41 HA GLN 41 59.519 -0.640 11.576
329 HB2 GLN 41 1HB GLN 41 61.257 -1.598 13.862
330 HB3 GLN 41 2HB GLN 41 59.657 -0.878 14.050
331 HG2 GLN 41 1HG GLN 41 58.658 -2.667 12.719
332 HG3 GLN 41 2HG GLN 41 60.248 -3.367 12.424
333 HE21 GLN 41 1HE2 GLN 41 58.169 -4.865 13.703
334 HE22 GLN 41 2HE2 GLN 41 58.630 -5.149 15.310
335 H LYS 42 H LYS 42 59.123 1.414 12.389
336 HA LYS 42 HA LYS 42 60.998 3.379 11.816
337 HB2 LYS 42 1HB LYS 42 59.478 4.936 12.992
338 HB3 LYS 42 2HB LYS 42 58.606 3.846 11.915
339 HG2 LYS 42 1HG LYS 42 58.297 2.337 13.986
340 HG3 LYS 42 2HG LYS 42 58.791 3.745 14.927
341 HD2 LYS 42 1HD LYS 42 56.565 3.852 12.882
342 HD3 LYS 42 2HD LYS 42 56.279 3.480 14.584
343 HE2 LYS 42 1HE LYS 42 57.411 5.626 15.194
344 HE3 LYS 42 2HE LYS 42 57.532 6.009 13.477
345 HZ1 LYS 42 1HZ LYS 42 54.921 5.312 13.823
346 HZ2 LYS 42 2HZ LYS 42 55.523 6.896 13.698
347 HZ3 LYS 42 3HZ LYS 42 55.277 6.195 15.226
348 HA PRO 43 HA PRO 43 63.760 3.370 15.294
349 HB2 PRO 43 1HB PRO 43 63.672 6.340 15.327
350 HB3 PRO 43 2HB PRO 43 65.059 5.249 15.157
351 HG2 PRO 43 1HG PRO 43 64.103 6.637 13.096
352 HG3 PRO 43 2HG PRO 43 64.766 5.004 12.903
353 HD2 PRO 43 1HD PRO 43 61.907 5.882 12.897
354 HD3 PRO 43 2HD PRO 43 62.699 4.586 11.972
355 H GLY 44 H GLY 44 60.794 5.218 15.430
356 HA2 GLY 44 1HA GLY 44 60.809 6.123 18.068
357 HA3 GLY 44 2HA GLY 44 59.359 5.701 17.164
358 H THR 45 H THR 45 60.163 5.254 20.020
359 HA THR 45 HA THR 45 60.751 2.572 20.543
360 HB THR 45 HB THR 45 59.775 2.964 22.756
361 HG1 THR 45 HG1 THR 45 58.789 5.043 23.077
362 HG21 THR 45 1HG2 THR 45 61.115 5.521 21.878
363 HG22 THR 45 2HG2 THR 45 62.001 4.000 21.974
364 HG23 THR 45 3HG2 THR 45 61.262 4.682 23.423
365 H HIS 46 H HIS 46 57.746 3.998 19.461
366 HA HIS 46 HA HIS 46 56.291 1.511 20.066
367 HB2 HIS 46 1HB HIS 46 55.269 3.679 20.709
368 HB3 HIS 46 2HB HIS 46 55.263 4.152 19.020
369 HD1 HIS 46 HD1 HIS 46 53.933 1.239 21.109
370 HD2 HIS 46 HD2 HIS 46 52.849 3.579 17.833
371 HE1 HIS 46 HE1 HIS 46 51.627 0.465 20.409
Start of MODEL 20
1 H ARG 1 3H ARG 1 25.310 -8.742 13.687
2 HA ARG 1 HA ARG 1 26.297 -7.344 15.727
3 HB2 ARG 1 1HB ARG 1 27.072 -5.918 13.165
4 HB3 ARG 1 2HB ARG 1 27.066 -5.178 14.766
5 HG2 ARG 1 1HG ARG 1 28.676 -6.915 15.540
6 HG3 ARG 1 2HG ARG 1 28.738 -7.554 13.896
7 HD2 ARG 1 1HD ARG 1 29.461 -5.274 13.117
8 HD3 ARG 1 2HD ARG 1 29.574 -4.788 14.806
9 HE ARG 1 HE ARG 1 31.363 -6.598 13.380
10 HH11 ARG 1 1HH1 ARG 1 30.378 -5.321 16.498
11 HH12 ARG 1 2HH1 ARG 1 31.862 -5.779 17.266
12 HH21 ARG 1 1HH2 ARG 1 33.252 -7.163 14.424
13 HH22 ARG 1 2HH2 ARG 1 33.467 -6.808 16.105
14 H SER 2 H SER 2 25.234 -4.927 15.605
15 HA SER 2 HA SER 2 22.474 -5.359 15.523
16 HB2 SER 2 1HB SER 2 22.235 -3.030 15.948
17 HB3 SER 2 2HB SER 2 23.741 -3.507 16.725
18 HG SER 2 HG SER 2 23.623 -1.555 15.220
19 H LEU 3 H LEU 3 20.864 -4.810 14.076
20 HA LEU 3 HA LEU 3 21.339 -5.114 11.341
21 HB2 LEU 3 1HB LEU 3 19.155 -5.445 12.505
22 HB3 LEU 3 2HB LEU 3 18.992 -3.693 12.611
23 HG LEU 3 HG LEU 3 19.235 -3.602 10.098
24 HD11 LEU 3 1HD1 LEU 3 19.189 -6.586 10.532
25 HD12 LEU 3 2HD1 LEU 3 20.281 -5.637 9.523
26 HD13 LEU 3 3HD1 LEU 3 18.608 -5.884 9.023
27 HD21 LEU 3 1HD2 LEU 3 16.966 -5.020 11.481
28 HD22 LEU 3 2HD2 LEU 3 16.908 -4.729 9.743
29 HD23 LEU 3 3HD2 LEU 3 17.022 -3.370 10.861
30 H LEU 4 H LEU 4 21.547 -2.229 13.301
31 HA LEU 4 HA LEU 4 21.048 -0.251 11.374
32 HB2 LEU 4 1HB LEU 4 22.992 -0.156 13.691
33 HB3 LEU 4 2HB LEU 4 22.340 1.236 12.827
34 HG LEU 4 HG LEU 4 20.664 -0.797 14.329
35 HD11 LEU 4 1HD1 LEU 4 21.684 1.957 15.058
36 HD12 LEU 4 2HD1 LEU 4 21.884 0.455 15.960
37 HD13 LEU 4 3HD1 LEU 4 20.298 1.219 15.861
38 HD21 LEU 4 1HD2 LEU 4 19.289 0.149 12.655
39 HD22 LEU 4 2HD2 LEU 4 20.064 1.728 12.787
40 HD23 LEU 4 3HD2 LEU 4 18.981 1.166 14.062
41 H GLU 5 H GLU 5 23.823 -2.324 11.794
42 HA GLU 5 HA GLU 5 25.544 -0.642 10.153
43 HB2 GLU 5 1HB GLU 5 25.974 -3.381 11.354
44 HB3 GLU 5 2HB GLU 5 27.199 -2.461 10.479
45 HG2 GLU 5 1HG GLU 5 26.929 -0.602 12.110
46 HG3 GLU 5 2HG GLU 5 25.779 -1.583 13.008
47 H GLY 6 H GLY 6 23.371 -3.312 9.619
48 HA2 GLY 6 1HA GLY 6 24.519 -3.873 6.994
49 HA3 GLY 6 2HA GLY 6 23.170 -4.710 7.741
50 H GLU 7 H GLU 7 22.619 -1.370 7.973
51 HA GLU 7 HA GLU 7 20.574 -1.568 5.904
52 HB2 GLU 7 1HB GLU 7 20.105 -0.643 8.195
53 HB3 GLU 7 2HB GLU 7 21.156 0.717 7.801
54 HG2 GLU 7 1HG GLU 7 19.716 1.230 5.842
55 HG3 GLU 7 2HG GLU 7 18.647 -0.089 6.301
56 H ILE 8 H ILE 8 20.381 -0.076 4.186
57 HA ILE 8 HA ILE 8 22.913 0.708 3.079
58 HB ILE 8 HB ILE 8 20.115 1.165 2.015
59 HG12 ILE 8 1HG1 ILE 8 22.123 -0.997 1.313
60 HG13 ILE 8 2HG1 ILE 8 20.755 -1.241 2.400
61 HG21 ILE 8 1HG2 ILE 8 21.257 1.429 -0.153
62 HG22 ILE 8 2HG2 ILE 8 22.819 1.230 0.640
63 HG23 ILE 8 3HG2 ILE 8 21.822 2.638 1.001
64 HD11 ILE 8 1HD1 ILE 8 20.576 -0.371 -0.499
65 HD12 ILE 8 2HD1 ILE 8 19.205 -0.581 0.589
66 HD13 ILE 8 3HD1 ILE 8 20.182 -1.973 0.122
67 HA PRO 9 HA PRO 9 22.700 4.904 4.649
68 HB2 PRO 9 1HB PRO 9 24.185 5.938 2.335
69 HB3 PRO 9 2HB PRO 9 24.679 5.829 4.031
70 HG2 PRO 9 1HG PRO 9 25.712 4.303 2.045
71 HG3 PRO 9 2HG PRO 9 25.668 3.825 3.750
72 HD2 PRO 9 1HD PRO 9 23.957 2.894 1.491
73 HD3 PRO 9 2HD PRO 9 24.504 2.027 2.943
74 H PHE 10 H PHE 10 21.532 6.819 4.318
75 HA PHE 10 HA PHE 10 19.256 6.638 2.735
76 HB2 PHE 10 1HB PHE 10 20.544 9.174 3.746
77 HB3 PHE 10 2HB PHE 10 18.866 8.977 3.280
78 HD1 PHE 10 HD1 PHE 10 17.639 6.949 4.571
79 HD2 PHE 10 HD2 PHE 10 21.059 9.122 5.997
80 HE1 PHE 10 HE1 PHE 10 17.087 6.291 6.899
81 HE2 PHE 10 HE2 PHE 10 20.507 8.464 8.323
82 HZ PHE 10 HZ PHE 10 18.522 7.049 8.774
83 HA PRO 11 HA PRO 11 20.609 7.509 -1.320
84 HB2 PRO 11 1HB PRO 11 18.544 9.101 -2.327
85 HB3 PRO 11 2HB PRO 11 18.602 7.333 -2.294
86 HG2 PRO 11 1HG PRO 11 17.178 9.204 -0.514
87 HG3 PRO 11 2HG PRO 11 16.752 7.564 -1.020
88 HD2 PRO 11 1HD PRO 11 17.740 8.142 1.463
89 HD3 PRO 11 2HD PRO 11 17.961 6.572 0.665
90 HA PRO 12 HA PRO 12 20.889 12.422 -1.370
91 HB2 PRO 12 1HB PRO 12 21.479 12.737 1.540
92 HB3 PRO 12 2HB PRO 12 20.655 13.847 0.426
93 HG2 PRO 12 1HG PRO 12 19.289 12.439 2.204
94 HG3 PRO 12 2HG PRO 12 18.652 12.731 0.575
95 HD2 PRO 12 1HD PRO 12 19.827 10.231 1.710
96 HD3 PRO 12 2HD PRO 12 18.524 10.427 0.520
97 H THR 13 H THR 13 22.863 13.148 -1.880
98 HA THR 13 HA THR 13 25.068 12.885 -2.471
99 HB THR 13 HB THR 13 25.118 14.479 -0.656
100 HG1 THR 13 HG1 THR 13 27.220 12.717 -0.075
101 HG21 THR 13 1HG2 THR 13 24.057 13.337 1.140
102 HG22 THR 13 2HG2 THR 13 25.723 13.589 1.661
103 HG23 THR 13 3HG2 THR 13 25.213 12.006 1.075
104 H SER 14 H SER 14 23.780 10.210 -1.946
105 HA SER 14 HA SER 14 25.507 8.573 -0.441
106 HB2 SER 14 1HB SER 14 24.460 6.709 -1.575
107 HB3 SER 14 2HB SER 14 23.234 7.924 -1.235
108 HG SER 14 HG SER 14 23.086 8.366 -3.322
109 H ILE 15 H ILE 15 25.673 9.671 -3.811
110 HA ILE 15 HA ILE 15 27.628 7.831 -4.690
111 HB ILE 15 HB ILE 15 27.206 10.689 -5.608
112 HG12 ILE 15 1HG1 ILE 15 26.052 8.105 -6.703
113 HG13 ILE 15 2HG1 ILE 15 25.161 9.223 -5.671
114 HG21 ILE 15 1HG2 ILE 15 29.341 9.664 -6.363
115 HG22 ILE 15 2HG2 ILE 15 28.221 9.904 -7.705
116 HG23 ILE 15 3HG2 ILE 15 28.439 8.296 -7.014
117 HD11 ILE 15 1HD1 ILE 15 24.548 9.859 -7.865
118 HD12 ILE 15 2HD1 ILE 15 26.196 9.680 -8.468
119 HD13 ILE 15 3HD1 ILE 15 25.787 11.029 -7.409
120 H LEU 16 H LEU 16 27.924 10.971 -3.034
121 HA LEU 16 HA LEU 16 30.744 11.104 -3.131
122 HB2 LEU 16 1HB LEU 16 28.751 12.242 -1.177
123 HB3 LEU 16 2HB LEU 16 30.483 12.548 -1.057
124 HG LEU 16 HG LEU 16 28.914 13.060 -3.592
125 HD11 LEU 16 1HD1 LEU 16 29.248 14.744 -1.138
126 HD12 LEU 16 2HD1 LEU 16 27.895 14.652 -2.264
127 HD13 LEU 16 3HD1 LEU 16 29.343 15.548 -2.705
128 HD21 LEU 16 1HD2 LEU 16 31.678 13.695 -2.564
129 HD22 LEU 16 2HD2 LEU 16 30.947 14.671 -3.840
130 HD23 LEU 16 3HD2 LEU 16 31.214 12.947 -4.093
131 H LEU 17 H LEU 17 28.556 9.417 -0.911
132 HA LEU 17 HA LEU 17 30.501 8.596 0.950
133 HB2 LEU 17 1HB LEU 17 28.038 8.277 1.226
134 HB3 LEU 17 2HB LEU 17 28.116 6.971 0.042
135 HG LEU 17 HG LEU 17 29.870 5.879 1.501
136 HD11 LEU 17 1HD1 LEU 17 30.663 7.667 2.846
137 HD12 LEU 17 2HD1 LEU 17 29.707 6.676 3.948
138 HD13 LEU 17 3HD1 LEU 17 29.029 8.165 3.288
139 HD21 LEU 17 1HD2 LEU 17 28.164 5.160 3.241
140 HD22 LEU 17 2HD2 LEU 17 27.624 5.022 1.569
141 HD23 LEU 17 3HD2 LEU 17 27.075 6.371 2.563
142 H LEU 18 H LEU 18 29.616 7.257 -2.210
143 HA LEU 18 HA LEU 18 31.216 4.936 -2.089
144 HB2 LEU 18 1HB LEU 18 30.628 6.629 -4.528
145 HB3 LEU 18 2HB LEU 18 31.171 4.954 -4.527
146 HG LEU 18 HG LEU 18 28.588 5.923 -3.268
147 HD11 LEU 18 1HD1 LEU 18 28.632 6.068 -5.768
148 HD12 LEU 18 2HD1 LEU 18 27.476 4.880 -5.166
149 HD13 LEU 18 3HD1 LEU 18 29.024 4.349 -5.824
150 HD21 LEU 18 1HD2 LEU 18 29.241 3.947 -2.137
151 HD22 LEU 18 2HD2 LEU 18 29.905 3.225 -3.603
152 HD23 LEU 18 3HD2 LEU 18 28.159 3.369 -3.403
153 H LEU 19 H LEU 19 32.033 8.279 -2.954
154 HA LEU 19 HA LEU 19 34.731 7.838 -3.643
155 HB2 LEU 19 1HB LEU 19 33.508 10.015 -3.889
156 HB3 LEU 19 2HB LEU 19 33.676 10.245 -2.149
157 HG LEU 19 HG LEU 19 36.176 9.927 -2.459
158 HD11 LEU 19 1HD1 LEU 19 36.893 10.520 -4.866
159 HD12 LEU 19 2HD1 LEU 19 35.261 10.044 -5.335
160 HD13 LEU 19 3HD1 LEU 19 36.338 8.872 -4.577
161 HD21 LEU 19 1HD2 LEU 19 36.433 12.252 -3.503
162 HD22 LEU 19 2HD2 LEU 19 35.371 12.148 -2.098
163 HD23 LEU 19 3HD2 LEU 19 34.683 12.238 -3.721
164 H ALA 20 H ALA 20 33.177 8.146 -0.484
165 HA ALA 20 HA ALA 20 35.495 8.143 1.113
166 HB1 ALA 20 1HB ALA 20 33.035 6.646 1.950
167 HB2 ALA 20 2HB ALA 20 32.970 8.398 1.758
168 HB3 ALA 20 3HB ALA 20 34.094 7.678 2.911
169 H CYS 21 H CYS 21 33.690 5.476 -0.364
170 HA CYS 21 HA CYS 21 35.096 3.350 0.828
171 HB2 CYS 21 1HB CYS 21 33.025 3.444 -0.859
172 HB3 CYS 21 2HB CYS 21 34.292 3.102 -2.035
173 HG CYS 21 HG CYS 21 34.712 0.845 -0.966
174 H ILE 22 H ILE 22 35.816 5.285 -2.065
175 HA ILE 22 HA ILE 22 38.123 3.882 -2.880
176 HB ILE 22 HB ILE 22 37.666 6.865 -3.086
177 HG12 ILE 22 1HG1 ILE 22 35.734 5.660 -3.998
178 HG13 ILE 22 2HG1 ILE 22 36.680 6.368 -5.301
179 HG21 ILE 22 1HG2 ILE 22 39.063 6.555 -5.163
180 HG22 ILE 22 2HG2 ILE 22 39.390 4.909 -4.622
181 HG23 ILE 22 3HG2 ILE 22 39.930 6.280 -3.653
182 HD11 ILE 22 1HD1 ILE 22 36.755 3.468 -4.411
183 HD12 ILE 22 2HD1 ILE 22 37.776 4.158 -5.672
184 HD13 ILE 22 3HD1 ILE 22 36.030 4.086 -5.892
185 H PHE 23 H PHE 23 37.689 6.424 -0.439
186 HA PHE 23 HA PHE 23 40.407 6.797 0.200
187 HB2 PHE 23 1HB PHE 23 38.466 8.155 1.055
188 HB3 PHE 23 2HB PHE 23 38.121 6.844 2.166
189 HD1 PHE 23 HD1 PHE 23 40.447 9.564 1.315
190 HD2 PHE 23 HD2 PHE 23 39.551 6.408 4.088
191 HE1 PHE 23 HE1 PHE 23 42.070 10.521 2.927
192 HE2 PHE 23 HE2 PHE 23 41.176 7.364 5.700
193 HZ PHE 23 HZ PHE 23 42.435 9.421 5.120
194 H LEU 24 H LEU 24 38.102 4.313 1.240
195 HA LEU 24 HA LEU 24 39.724 3.070 3.177
196 HB2 LEU 24 1HB LEU 24 37.315 2.525 2.734
197 HB3 LEU 24 2HB LEU 24 37.834 1.650 1.293
198 HG LEU 24 HG LEU 24 39.396 0.328 2.812
199 HD11 LEU 24 1HD1 LEU 24 37.788 1.890 4.824
200 HD12 LEU 24 2HD1 LEU 24 39.526 1.591 4.791
201 HD13 LEU 24 3HD1 LEU 24 38.417 0.292 5.231
202 HD21 LEU 24 1HD2 LEU 24 37.464 -1.066 3.718
203 HD22 LEU 24 2HD2 LEU 24 37.408 -0.735 1.986
204 HD23 LEU 24 3HD2 LEU 24 36.384 0.180 3.092
205 H ILE 25 H ILE 25 39.672 2.747 -0.355
206 HA ILE 25 HA ILE 25 41.521 0.626 -0.554
207 HB ILE 25 HB ILE 25 41.232 2.969 -2.453
208 HG12 ILE 25 1HG1 ILE 25 39.859 0.265 -2.504
209 HG13 ILE 25 2HG1 ILE 25 39.090 1.746 -1.931
210 HG21 ILE 25 1HG2 ILE 25 42.230 0.138 -2.890
211 HG22 ILE 25 2HG2 ILE 25 43.255 1.570 -2.800
212 HG23 ILE 25 3HG2 ILE 25 42.101 1.394 -4.121
213 HD11 ILE 25 1HD1 ILE 25 39.694 2.770 -4.195
214 HD12 ILE 25 2HD1 ILE 25 38.437 1.532 -4.216
215 HD13 ILE 25 3HD1 ILE 25 40.079 1.132 -4.721
216 H LYS 26 H LYS 26 42.023 4.123 -0.161
217 HA LYS 26 HA LYS 26 44.837 4.106 -0.348
218 HB2 LYS 26 1HB LYS 26 43.435 6.171 -0.233
219 HB3 LYS 26 2HB LYS 26 43.193 5.859 1.486
220 HG2 LYS 26 1HG LYS 26 45.592 5.986 1.895
221 HG3 LYS 26 2HG LYS 26 45.903 6.181 0.171
222 HD2 LYS 26 1HD LYS 26 45.988 8.373 1.166
223 HD3 LYS 26 2HD LYS 26 44.494 8.273 0.235
224 HE2 LYS 26 1HE LYS 26 44.140 9.290 2.479
225 HE3 LYS 26 2HE LYS 26 43.217 7.805 2.266
226 HZ1 LYS 26 1HZ LYS 26 45.903 7.545 3.369
227 HZ2 LYS 26 2HZ LYS 26 44.483 6.693 3.750
228 HZ3 LYS 26 3HZ LYS 26 44.734 8.252 4.376
229 H ILE 27 H ILE 27 42.694 3.298 2.353
230 HA ILE 27 HA ILE 27 44.680 3.046 4.340
231 HB ILE 27 HB ILE 27 42.210 1.321 4.098
232 HG12 ILE 27 1HG1 ILE 27 41.583 3.693 3.930
233 HG13 ILE 27 2HG1 ILE 27 41.101 3.040 5.491
234 HG21 ILE 27 1HG2 ILE 27 42.426 1.444 6.636
235 HG22 ILE 27 2HG2 ILE 27 44.043 2.096 6.366
236 HG23 ILE 27 3HG2 ILE 27 43.639 0.477 5.797
237 HD11 ILE 27 1HD1 ILE 27 42.113 5.253 5.776
238 HD12 ILE 27 2HD1 ILE 27 43.570 4.718 4.944
239 HD13 ILE 27 3HD1 ILE 27 43.146 4.029 6.511
240 H LEU 28 H LEU 28 43.622 0.784 1.827
241 HA LEU 28 HA LEU 28 45.176 -1.427 2.631
242 HB2 LEU 28 1HB LEU 28 44.605 -0.571 -0.216
243 HB3 LEU 28 2HB LEU 28 45.076 -2.180 0.322
244 HG LEU 28 HG LEU 28 42.557 -0.749 1.215
245 HD11 LEU 28 1HD1 LEU 28 42.816 -3.104 -0.672
246 HD12 LEU 28 2HD1 LEU 28 42.647 -1.440 -1.229
247 HD13 LEU 28 3HD1 LEU 28 41.357 -2.190 -0.289
248 HD21 LEU 28 1HD2 LEU 28 43.135 -2.298 2.905
249 HD22 LEU 28 2HD2 LEU 28 43.769 -3.463 1.743
250 HD23 LEU 28 3HD2 LEU 28 42.030 -3.208 1.876
251 H ALA 29 H ALA 29 46.059 1.467 0.798
252 HA ALA 29 HA ALA 29 48.763 0.816 0.318
253 HB1 ALA 29 1HB ALA 29 47.940 3.605 1.049
254 HB2 ALA 29 2HB ALA 29 47.341 2.874 -0.440
255 HB3 ALA 29 3HB ALA 29 49.076 3.064 -0.187
256 H ALA 30 H ALA 30 47.162 2.136 3.182
257 HA ALA 30 HA ALA 30 49.440 2.733 4.708
258 HB1 ALA 30 1HB ALA 30 46.919 3.147 5.212
259 HB2 ALA 30 2HB ALA 30 48.018 2.841 6.558
260 HB3 ALA 30 3HB ALA 30 46.978 1.550 5.957
261 H SER 31 H SER 31 47.766 -0.337 4.173
262 HA SER 31 HA SER 31 49.202 -1.925 5.998
263 HB2 SER 31 1HB SER 31 48.217 -2.733 3.250
264 HB3 SER 31 2HB SER 31 48.612 -3.818 4.581
265 HG SER 31 HG SER 31 46.953 -2.750 5.784
266 H ALA 32 H ALA 32 50.053 -0.783 2.748
267 HA ALA 32 HA ALA 32 52.416 -2.301 2.426
268 HB1 ALA 32 1HB ALA 32 52.969 -0.824 0.683
269 HB2 ALA 32 2HB ALA 32 52.144 0.534 1.450
270 HB3 ALA 32 3HB ALA 32 51.207 -0.772 0.725
271 H LEU 33 H LEU 33 51.816 0.831 4.001
272 HA LEU 33 HA LEU 33 54.480 1.421 4.689
273 HB2 LEU 33 1HB LEU 33 51.979 2.044 6.276
274 HB3 LEU 33 2HB LEU 33 53.540 2.842 6.445
275 HG LEU 33 HG LEU 33 51.896 2.803 3.898
276 HD11 LEU 33 1HD1 LEU 33 52.327 5.000 5.947
277 HD12 LEU 33 2HD1 LEU 33 50.816 4.135 5.667
278 HD13 LEU 33 3HD1 LEU 33 51.475 5.187 4.414
279 HD21 LEU 33 1HD2 LEU 33 53.548 4.727 3.390
280 HD22 LEU 33 2HD2 LEU 33 54.174 3.081 3.296
281 HD23 LEU 33 3HD2 LEU 33 54.514 4.074 4.713
282 H TRP 34 H TRP 34 52.087 -0.667 6.275
283 HA TRP 34 HA TRP 34 53.592 -1.309 8.571
284 HB2 TRP 34 1HB TRP 34 51.198 -1.989 8.033
285 HB3 TRP 34 2HB TRP 34 51.886 -3.277 7.063
286 HD1 TRP 34 HD1 TRP 34 52.382 -5.457 8.267
287 HE1 TRP 34 HE1 TRP 34 52.519 -6.202 10.731
288 HE3 TRP 34 HE3 TRP 34 51.916 -0.931 10.585
289 HZ2 TRP 34 HZ2 TRP 34 52.441 -5.032 13.344
290 HZ3 TRP 34 HZ3 TRP 34 51.950 -0.773 13.055
291 HH2 TRP 34 HH2 TRP 34 52.211 -2.814 14.437
292 H ALA 35 H ALA 35 53.796 -2.538 5.261
293 HA ALA 35 HA ALA 35 55.733 -4.536 5.688
294 HB1 ALA 35 1HB ALA 35 54.443 -3.799 3.518
295 HB2 ALA 35 2HB ALA 35 56.038 -4.538 3.390
296 HB3 ALA 35 3HB ALA 35 55.866 -2.788 3.260
297 H ALA 36 H ALA 36 56.064 -1.038 5.270
298 HA ALA 36 HA ALA 36 58.873 -0.900 5.193
299 HB1 ALA 36 1HB ALA 36 58.635 1.378 5.542
300 HB2 ALA 36 2HB ALA 36 57.308 1.171 6.685
301 HB3 ALA 36 3HB ALA 36 57.023 0.965 4.957
302 H ALA 37 H ALA 37 56.640 -1.059 7.940
303 HA ALA 37 HA ALA 37 58.554 -0.879 10.004
304 HB1 ALA 37 1HB ALA 37 56.000 -0.845 10.186
305 HB2 ALA 37 2HB ALA 37 56.879 -1.712 11.446
306 HB3 ALA 37 3HB ALA 37 56.090 -2.606 10.145
307 H TRP 38 H TRP 38 57.399 -3.651 8.137
308 HA TRP 38 HA TRP 38 58.712 -5.708 9.480
309 HB2 TRP 38 1HB TRP 38 57.062 -5.882 7.560
310 HB3 TRP 38 2HB TRP 38 58.416 -5.578 6.490
311 HD1 TRP 38 HD1 TRP 38 60.169 -7.500 6.133
312 HE1 TRP 38 HE1 TRP 38 60.130 -10.017 6.685
313 HE3 TRP 38 HE3 TRP 38 56.195 -7.637 9.335
314 HZ2 TRP 38 HZ2 TRP 38 58.609 -11.851 8.276
315 HZ3 TRP 38 HZ3 TRP 38 55.473 -9.776 10.352
316 HH2 TRP 38 HH2 TRP 38 56.672 -11.881 9.829
317 H HIS 39 H HIS 39 60.037 -3.400 7.140
318 HA HIS 39 HA HIS 39 62.650 -4.610 7.153
319 HB2 HIS 39 1HB HIS 39 61.889 -3.076 5.361
320 HB3 HIS 39 2HB HIS 39 61.831 -1.766 6.524
321 HD1 HIS 39 HD1 HIS 39 64.431 -4.273 5.273
322 HD2 HIS 39 HD2 HIS 39 64.155 -0.296 6.493
323 HE1 HIS 39 HE1 HIS 39 66.738 -3.274 4.981
324 H GLY 40 H GLY 40 61.611 -1.450 8.474
325 HA2 GLY 40 1HA GLY 40 62.560 -2.355 11.101
326 HA3 GLY 40 2HA GLY 40 63.149 -0.808 10.495
327 H GLN 41 H GLN 41 60.730 -2.255 12.311
328 HA GLN 41 HA GLN 41 58.620 -0.514 12.176
329 HB2 GLN 41 1HB GLN 41 58.841 -2.398 13.792
330 HB3 GLN 41 2HB GLN 41 59.955 -1.413 14.741
331 HG2 GLN 41 1HG GLN 41 58.161 0.328 14.934
332 HG3 GLN 41 2HG GLN 41 57.054 -0.785 14.131
333 HE21 GLN 41 1HE2 GLN 41 55.800 -1.928 15.599
334 HE22 GLN 41 2HE2 GLN 41 56.297 -2.394 17.154
335 H LYS 42 H LYS 42 58.137 1.539 12.923
336 HA LYS 42 HA LYS 42 60.113 3.488 12.776
337 HB2 LYS 42 1HB LYS 42 57.368 3.550 14.036
338 HB3 LYS 42 2HB LYS 42 58.383 4.984 13.872
339 HG2 LYS 42 1HG LYS 42 58.371 4.850 11.495
340 HG3 LYS 42 2HG LYS 42 57.717 3.210 11.516
341 HD2 LYS 42 1HD LYS 42 55.582 3.963 12.266
342 HD3 LYS 42 2HD LYS 42 56.205 5.566 12.661
343 HE2 LYS 42 1HE LYS 42 56.770 5.813 10.185
344 HE3 LYS 42 2HE LYS 42 55.805 4.362 9.915
345 HZ1 LYS 42 1HZ LYS 42 54.822 6.810 11.276
346 HZ2 LYS 42 2HZ LYS 42 53.906 5.439 10.871
347 HZ3 LYS 42 3HZ LYS 42 54.535 6.435 9.647
348 HA PRO 43 HA PRO 43 62.176 3.306 16.716
349 HB2 PRO 43 1HB PRO 43 62.093 6.278 16.827
350 HB3 PRO 43 2HB PRO 43 63.486 5.181 16.903
351 HG2 PRO 43 1HG PRO 43 62.966 6.636 14.736
352 HG3 PRO 43 2HG PRO 43 63.641 4.999 14.628
353 HD2 PRO 43 1HD PRO 43 60.847 5.917 14.087
354 HD3 PRO 43 2HD PRO 43 61.791 4.635 13.295
355 H GLY 44 H GLY 44 61.649 3.329 18.894
356 HA2 GLY 44 1HA GLY 44 58.976 3.522 19.664
357 HA3 GLY 44 2HA GLY 44 60.339 3.513 20.775
358 H THR 45 H THR 45 61.419 6.030 19.516
359 HA THR 45 HA THR 45 61.438 8.240 20.145
360 HB THR 45 HB THR 45 59.400 9.457 19.358
361 HG1 THR 45 HG1 THR 45 58.465 6.933 18.537
362 HG21 THR 45 1HG2 THR 45 59.868 9.061 17.094
363 HG22 THR 45 2HG2 THR 45 60.137 7.337 17.354
364 HG23 THR 45 3HG2 THR 45 61.337 8.508 17.897
365 H HIS 46 H HIS 46 61.269 6.905 22.437
366 HA HIS 46 HA HIS 46 59.021 8.004 23.977
367 HB2 HIS 46 1HB HIS 46 61.188 6.063 24.789
368 HB3 HIS 46 2HB HIS 46 59.829 6.551 25.782
369 HD1 HIS 46 HD1 HIS 46 57.383 5.948 24.624
370 HD2 HIS 46 HD2 HIS 46 60.704 3.794 23.316
371 HE1 HIS 46 HE1 HIS 46 56.486 3.866 23.497