NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
547320 |
2lvc   |
18563 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H HIS 1 H1 HIS 1 -16.601 -19.054 -6.811
2 HA HIS 1 HA HIS 1 -13.665 -18.938 -6.483
3 HB2 HIS 1 HB2 HIS 1 -15.174 -18.047 -8.674
4 HB3 HIS 1 HB3 HIS 1 -15.040 -16.590 -7.709
5 HD1 HIS 1 HD1 HIS 1 -13.228 -15.205 -8.692
6 HD2 HIS 1 HD2 HIS 1 -12.268 -19.248 -8.771
7 HE1 HIS 1 HE1 HIS 1 -10.957 -15.336 -9.754
8 HE2 HIS 1 HE2 HIS 1 -10.383 -17.782 -9.765
9 H MET 2 H MET 2 -13.077 -17.978 -4.596
10 HA MET 2 HA MET 2 -14.987 -16.622 -2.869
11 HB2 MET 2 HB2 MET 2 -11.978 -17.025 -2.566
12 HB3 MET 2 HB3 MET 2 -13.049 -16.409 -1.313
13 HG2 MET 2 HG2 MET 2 -14.207 -18.556 -1.207
14 HG3 MET 2 HG3 MET 2 -13.215 -19.176 -2.533
15 HE1 MET 2 HE1 MET 2 -13.489 -20.753 0.243
16 HE2 MET 2 HE2 MET 2 -11.807 -21.199 0.530
17 HE3 MET 2 HE3 MET 2 -12.481 -21.306 -1.096
18 HA PRO 3 HA PRO 3 -14.481 -12.492 -4.537
19 HB2 PRO 3 HB2 PRO 3 -14.753 -11.539 -1.704
20 HB3 PRO 3 HB3 PRO 3 -15.668 -11.070 -3.144
21 HG2 PRO 3 HG2 PRO 3 -16.785 -12.691 -1.370
22 HG3 PRO 3 HG3 PRO 3 -16.984 -13.029 -3.105
23 HD2 PRO 3 HD2 PRO 3 -15.098 -14.321 -1.126
24 HD3 PRO 3 HD3 PRO 3 -16.120 -15.086 -2.368
25 H VAL 4 H VAL 4 -13.059 -11.602 -1.396
26 HA VAL 4 HA VAL 4 -10.331 -12.028 -1.964
27 HB VAL 4 HB VAL 4 -10.639 -10.322 -3.743
28 HG11 VAL 4 HG11 VAL 4 -11.336 -8.358 -1.536
29 HG12 VAL 4 HG12 VAL 4 -12.442 -8.991 -2.756
30 HG13 VAL 4 HG13 VAL 4 -11.095 -7.958 -3.241
31 HG21 VAL 4 HG21 VAL 4 -8.703 -8.875 -3.191
32 HG22 VAL 4 HG22 VAL 4 -8.416 -10.549 -2.708
33 HG23 VAL 4 HG23 VAL 4 -8.836 -9.342 -1.491
34 H HIS 5 H HIS 5 -9.075 -11.715 -0.174
35 HA HIS 5 HA HIS 5 -9.845 -9.808 1.930
36 HB2 HIS 5 HB2 HIS 5 -9.364 -12.778 2.401
37 HB3 HIS 5 HB3 HIS 5 -9.269 -11.584 3.695
38 HD1 HIS 5 HD1 HIS 5 -11.542 -10.162 4.062
39 HD2 HIS 5 HD2 HIS 5 -11.921 -13.719 1.949
40 HE1 HIS 5 HE1 HIS 5 -13.989 -10.686 4.083
41 HE2 HIS 5 HE2 HIS 5 -14.212 -12.733 2.644
42 H ILE 6 H ILE 6 -8.159 -8.520 2.161
43 HA ILE 6 HA ILE 6 -5.540 -8.946 1.181
44 HB ILE 6 HB ILE 6 -6.551 -6.914 3.224
45 HG12 ILE 6 HG12 ILE 6 -6.281 -6.617 0.196
46 HG13 ILE 6 HG13 ILE 6 -7.801 -6.863 1.047
47 HG21 ILE 6 HG21 ILE 6 -4.047 -6.819 1.512
48 HG22 ILE 6 HG22 ILE 6 -4.104 -7.050 3.262
49 HG23 ILE 6 HG23 ILE 6 -4.627 -5.520 2.558
50 HD11 ILE 6 HD11 ILE 6 -5.987 -4.461 1.311
51 HD12 ILE 6 HD12 ILE 6 -7.512 -4.702 2.172
52 HD13 ILE 6 HD13 ILE 6 -7.505 -4.545 0.417
53 H VAL 7 H VAL 7 -4.029 -10.336 2.066
54 HA VAL 7 HA VAL 7 -4.225 -11.338 4.764
55 HB VAL 7 HB VAL 7 -2.134 -12.619 4.264
56 HG11 VAL 7 HG11 VAL 7 -3.094 -14.075 2.504
57 HG12 VAL 7 HG12 VAL 7 -4.278 -12.823 2.118
58 HG13 VAL 7 HG13 VAL 7 -4.304 -13.603 3.701
59 HG21 VAL 7 HG21 VAL 7 -2.228 -11.257 1.534
60 HG22 VAL 7 HG22 VAL 7 -1.144 -12.576 1.989
61 HG23 VAL 7 HG23 VAL 7 -0.995 -11.002 2.773
62 H ASP 8 H ASP 8 -2.470 -8.705 3.312
63 HA ASP 8 HA ASP 8 -1.211 -7.996 5.849
64 HB2 ASP 8 HB2 ASP 8 0.452 -9.503 4.809
65 HB3 ASP 8 HB3 ASP 8 0.420 -8.554 3.324
66 HA PRO 9 HA PRO 9 -0.503 -6.411 6.872
67 HB2 PRO 9 HB2 PRO 9 -0.664 -3.965 7.968
68 HB3 PRO 9 HB3 PRO 9 0.627 -4.363 6.823
69 HG2 PRO 9 HG2 PRO 9 -1.916 -2.822 6.353
70 HG3 PRO 9 HG3 PRO 9 -0.283 -2.490 5.747
71 HD2 PRO 9 HD2 PRO 9 -2.309 -3.798 4.305
72 HD3 PRO 9 HD3 PRO 9 -0.576 -3.862 3.918
73 H ARG 10 H ARG 10 -1.623 -6.793 8.800
74 HA ARG 10 HA ARG 10 -4.560 -6.370 8.785
75 HB2 ARG 10 HB2 ARG 10 -2.827 -8.564 9.954
76 HB3 ARG 10 HB3 ARG 10 -4.459 -8.302 10.559
77 HG2 ARG 10 HG2 ARG 10 -3.779 -8.886 7.650
78 HG3 ARG 10 HG3 ARG 10 -4.309 -10.094 8.827
79 HD2 ARG 10 HD2 ARG 10 -6.439 -8.885 9.121
80 HD3 ARG 10 HD3 ARG 10 -5.914 -7.660 7.961
81 HE ARG 10 HE ARG 10 -5.738 -9.859 6.478
82 HH11 ARG 10 HH11 ARG 10 -8.325 -8.924 8.585
83 HH12 ARG 10 HH12 ARG 10 -9.523 -9.595 7.543
84 HH21 ARG 10 HH21 ARG 10 -7.284 -10.680 5.189
85 HH22 ARG 10 HH22 ARG 10 -8.948 -10.544 5.634
86 H GLU 11 H GLU 11 -3.704 -4.150 9.475
87 HA GLU 11 HA GLU 11 -4.669 -3.668 12.088
88 HB2 GLU 11 HB2 GLU 11 -2.668 -2.768 13.214
89 HB3 GLU 11 HB3 GLU 11 -2.403 -4.454 12.790
90 HG2 GLU 11 HG2 GLU 11 -1.041 -3.772 10.851
91 HG3 GLU 11 HG3 GLU 11 -1.321 -2.075 11.248
92 H HIS 12 H HIS 12 -4.534 -1.305 12.668
93 HA HIS 12 HA HIS 12 -4.631 0.509 10.452
94 HB2 HIS 12 HB2 HIS 12 -4.759 2.291 12.258
95 HB3 HIS 12 HB3 HIS 12 -5.984 1.037 12.370
96 HD1 HIS 12 HD1 HIS 12 -2.693 2.016 14.025
97 HD2 HIS 12 HD2 HIS 12 -6.138 -0.162 14.846
98 HE1 HIS 12 HE1 HIS 12 -2.519 1.369 16.437
99 HE2 HIS 12 HE2 HIS 12 -4.523 -0.075 16.868
100 H VAL 13 H VAL 13 -2.917 1.415 9.422
101 HA VAL 13 HA VAL 13 -0.207 0.935 10.489
102 HB VAL 13 HB VAL 13 -1.045 1.720 7.665
103 HG11 VAL 13 HG11 VAL 13 1.233 0.986 6.998
104 HG12 VAL 13 HG12 VAL 13 1.640 0.704 8.692
105 HG13 VAL 13 HG13 VAL 13 1.292 2.341 8.130
106 HG21 VAL 13 HG21 VAL 13 -1.977 -0.475 8.278
107 HG22 VAL 13 HG22 VAL 13 -0.371 -1.040 8.749
108 HG23 VAL 13 HG23 VAL 13 -0.708 -0.646 7.061
109 H PHE 14 H PHE 14 0.347 2.668 11.799
110 HA PHE 14 HA PHE 14 -0.045 5.428 10.881
111 HB2 PHE 14 HB2 PHE 14 -0.404 4.842 13.297
112 HB3 PHE 14 HB3 PHE 14 1.297 4.421 13.435
113 HD1 PHE 14 HD1 PHE 14 -1.090 7.224 12.950
114 HD2 PHE 14 HD2 PHE 14 2.998 6.167 13.662
115 HE1 PHE 14 HE1 PHE 14 -0.570 9.564 13.495
116 HE2 PHE 14 HE2 PHE 14 3.504 8.513 14.206
117 HZ PHE 14 HZ PHE 14 1.722 10.211 14.125
118 H VAL 15 H VAL 15 1.379 6.126 9.407
119 HA VAL 15 HA VAL 15 4.240 5.417 9.573
120 HB VAL 15 HB VAL 15 2.735 6.831 7.319
121 HG11 VAL 15 HG11 VAL 15 4.758 6.395 5.956
122 HG12 VAL 15 HG12 VAL 15 5.562 5.694 7.361
123 HG13 VAL 15 HG13 VAL 15 5.139 7.408 7.352
124 HG21 VAL 15 HG21 VAL 15 2.877 4.697 6.078
125 HG22 VAL 15 HG22 VAL 15 1.938 4.509 7.561
126 HG23 VAL 15 HG23 VAL 15 3.601 3.917 7.488
127 H HIS 16 H HIS 16 5.406 6.848 10.783
128 HA HIS 16 HA HIS 16 4.860 9.720 10.736
129 HB2 HIS 16 HB2 HIS 16 5.694 8.823 12.844
130 HB3 HIS 16 HB3 HIS 16 7.084 8.096 12.049
131 HD1 HIS 16 HD1 HIS 16 9.177 9.449 12.167
132 HD2 HIS 16 HD2 HIS 16 5.803 11.813 12.666
133 HE1 HIS 16 HE1 HIS 16 10.041 11.760 12.601
134 HE2 HIS 16 HE2 HIS 16 7.986 13.135 13.063
135 H ALA 17 H ALA 17 5.680 11.013 9.189
136 HA ALA 17 HA ALA 17 8.032 10.201 7.586
137 HB1 ALA 17 HB1 ALA 17 5.964 9.708 6.343
138 HB2 ALA 17 HB2 ALA 17 6.872 11.006 5.567
139 HB3 ALA 17 HB3 ALA 17 5.438 11.382 6.530
140 H ILE 18 H ILE 18 9.162 11.943 6.588
141 HA ILE 18 HA ILE 18 8.566 14.724 7.427
142 HB ILE 18 HB ILE 18 11.362 13.469 7.339
143 HG12 ILE 18 HG12 ILE 18 10.085 12.724 9.351
144 HG13 ILE 18 HG13 ILE 18 11.475 13.710 9.780
145 HG21 ILE 18 HG21 ILE 18 11.491 15.811 6.686
146 HG22 ILE 18 HG22 ILE 18 12.198 15.607 8.290
147 HG23 ILE 18 HG23 ILE 18 10.581 16.296 8.120
148 HD11 ILE 18 HD11 ILE 18 9.532 14.224 11.153
149 HD12 ILE 18 HD12 ILE 18 8.604 14.650 9.716
150 HD13 ILE 18 HD13 ILE 18 10.003 15.620 10.185
151 H THR 19 H THR 19 9.597 16.313 5.861
152 HA THR 19 HA THR 19 8.934 15.855 3.191
153 HB THR 19 HB THR 19 10.137 17.969 2.667
154 HG1 THR 19 HG1 THR 19 11.414 18.955 4.204
155 HG21 THR 19 HG21 THR 19 8.928 19.464 4.210
156 HG22 THR 19 HG22 THR 19 8.622 18.111 5.302
157 HG23 THR 19 HG23 THR 19 7.894 18.131 3.694
158 H SER 20 H SER 20 12.083 15.427 4.767
159 HA SER 20 HA SER 20 13.426 14.722 2.231
160 HB2 SER 20 HB2 SER 20 14.582 15.052 5.032
161 HB3 SER 20 HB3 SER 20 15.519 14.806 3.557
162 HG SER 20 HG SER 20 13.967 16.854 3.056
163 H GLU 21 H GLU 21 11.398 12.969 3.799
164 HA GLU 21 HA GLU 21 13.044 10.502 4.033
165 HB2 GLU 21 HB2 GLU 21 10.265 11.127 5.150
166 HB3 GLU 21 HB3 GLU 21 11.020 9.535 5.219
167 HG2 GLU 21 HG2 GLU 21 12.012 12.066 6.554
168 HG3 GLU 21 HG3 GLU 21 11.264 10.684 7.347
169 H CYS 22 H CYS 22 12.127 8.509 3.204
170 HA CYS 22 HA CYS 22 10.422 8.845 0.790
171 HB2 CYS 22 HB2 CYS 22 11.620 6.885 -0.161
172 HB3 CYS 22 HB3 CYS 22 12.728 8.202 0.207
173 HG CYS 22 HG CYS 22 12.294 5.481 2.235
174 H VAL 23 H VAL 23 8.397 8.150 1.262
175 HA VAL 23 HA VAL 23 7.994 5.907 3.137
176 HB VAL 23 HB VAL 23 6.021 7.934 1.988
177 HG11 VAL 23 HG11 VAL 23 5.438 5.652 3.925
178 HG12 VAL 23 HG12 VAL 23 4.838 5.787 2.270
179 HG13 VAL 23 HG13 VAL 23 4.308 6.941 3.495
180 HG21 VAL 23 HG21 VAL 23 7.517 8.838 3.729
181 HG22 VAL 23 HG22 VAL 23 7.062 7.527 4.822
182 HG23 VAL 23 HG23 VAL 23 5.861 8.725 4.332
183 H MET 24 H MET 24 8.169 4.026 2.179
184 HA MET 24 HA MET 24 6.865 3.485 -0.421
185 HB2 MET 24 HB2 MET 24 9.294 3.023 -0.336
186 HB3 MET 24 HB3 MET 24 9.065 1.954 1.040
187 HG2 MET 24 HG2 MET 24 7.753 0.423 -0.372
188 HG3 MET 24 HG3 MET 24 7.987 1.505 -1.751
189 HE1 MET 24 HE1 MET 24 8.739 -1.586 -1.877
190 HE2 MET 24 HE2 MET 24 10.323 -1.530 -2.653
191 HE3 MET 24 HE3 MET 24 9.022 -0.483 -3.223
192 H LEU 25 H LEU 25 4.791 3.137 0.249
193 HA LEU 25 HA LEU 25 4.032 1.438 2.449
194 HB2 LEU 25 HB2 LEU 25 2.383 2.563 0.150
195 HB3 LEU 25 HB3 LEU 25 1.722 1.796 1.591
196 HG LEU 25 HG LEU 25 3.308 4.401 1.559
197 HD11 LEU 25 HD11 LEU 25 0.331 3.959 1.936
198 HD12 LEU 25 HD12 LEU 25 1.114 4.679 0.526
199 HD13 LEU 25 HD13 LEU 25 1.181 5.502 2.082
200 HD21 LEU 25 HD21 LEU 25 3.642 3.194 3.664
201 HD22 LEU 25 HD22 LEU 25 1.898 3.018 3.873
202 HD23 LEU 25 HD23 LEU 25 2.639 4.619 3.926
203 H ALA 26 H ALA 26 2.905 -0.581 2.277
204 HA ALA 26 HA ALA 26 3.006 -2.053 -0.262
205 HB1 ALA 26 HB1 ALA 26 4.240 -3.945 0.708
206 HB2 ALA 26 HB2 ALA 26 4.413 -3.078 2.236
207 HB3 ALA 26 HB3 ALA 26 5.207 -2.471 0.782
208 H CYS 27 H CYS 27 1.405 -3.494 -0.466
209 HA CYS 27 HA CYS 27 -0.169 -4.484 1.787
210 HB2 CYS 27 HB2 CYS 27 -1.356 -2.435 1.118
211 HB3 CYS 27 HB3 CYS 27 -1.379 -2.957 -0.566
212 HG CYS 27 HG CYS 27 -2.764 -5.055 1.661
213 H GLU 28 H GLU 28 -0.251 -6.619 1.506
214 HA GLU 28 HA GLU 28 -0.153 -7.813 -1.204
215 HB2 GLU 28 HB2 GLU 28 1.711 -8.316 0.435
216 HB3 GLU 28 HB3 GLU 28 0.528 -9.105 1.471
217 HG2 GLU 28 HG2 GLU 28 0.047 -10.704 -0.406
218 HG3 GLU 28 HG3 GLU 28 1.351 -9.947 -1.324
219 H VAL 29 H VAL 29 -1.921 -8.927 -1.901
220 HA VAL 29 HA VAL 29 -4.163 -9.488 -0.063
221 HB VAL 29 HB VAL 29 -5.476 -10.006 -2.161
222 HG11 VAL 29 HG11 VAL 29 -5.717 -7.664 -2.899
223 HG12 VAL 29 HG12 VAL 29 -4.207 -7.249 -2.082
224 HG13 VAL 29 HG13 VAL 29 -5.602 -7.781 -1.140
225 HG21 VAL 29 HG21 VAL 29 -3.630 -10.661 -3.649
226 HG22 VAL 29 HG22 VAL 29 -2.980 -9.018 -3.605
227 HG23 VAL 29 HG23 VAL 29 -4.545 -9.330 -4.365
228 H ASP 30 H ASP 30 -5.392 -11.511 -0.461
229 HA ASP 30 HA ASP 30 -3.788 -13.839 -0.127
230 HB2 ASP 30 HB2 ASP 30 -5.961 -15.038 0.025
231 HB3 ASP 30 HB3 ASP 30 -5.896 -13.630 1.067
232 H ARG 31 H ARG 31 -5.680 -12.566 -2.839
233 HA ARG 31 HA ARG 31 -4.940 -14.907 -4.515
234 HB2 ARG 31 HB2 ARG 31 -7.299 -13.037 -4.985
235 HB3 ARG 31 HB3 ARG 31 -6.941 -14.550 -5.824
236 HG2 ARG 31 HG2 ARG 31 -7.287 -15.741 -3.608
237 HG3 ARG 31 HG3 ARG 31 -7.843 -14.197 -2.948
238 HD2 ARG 31 HD2 ARG 31 -9.112 -15.850 -5.146
239 HD3 ARG 31 HD3 ARG 31 -9.785 -15.450 -3.567
240 HE ARG 31 HE ARG 31 -9.999 -13.149 -4.314
241 HH11 ARG 31 HH11 ARG 31 -9.571 -15.506 -6.806
242 HH12 ARG 31 HH12 ARG 31 -10.194 -14.463 -8.029
243 HH21 ARG 31 HH21 ARG 31 -10.806 -11.851 -5.907
244 HH22 ARG 31 HH22 ARG 31 -10.910 -12.447 -7.524
245 H GLU 32 H GLU 32 -3.636 -14.541 -6.175
246 HA GLU 32 HA GLU 32 -2.541 -12.073 -6.977
247 HB2 GLU 32 HB2 GLU 32 -1.605 -14.418 -7.298
248 HB3 GLU 32 HB3 GLU 32 -2.742 -14.644 -8.617
249 HG2 GLU 32 HG2 GLU 32 -0.671 -12.433 -8.629
250 HG3 GLU 32 HG3 GLU 32 -0.288 -14.061 -9.171
251 H ASP 33 H ASP 33 -5.474 -13.693 -7.878
252 HA ASP 33 HA ASP 33 -6.212 -12.567 -10.336
253 HB2 ASP 33 HB2 ASP 33 -8.031 -13.343 -8.009
254 HB3 ASP 33 HB3 ASP 33 -8.526 -13.168 -9.693
255 H ALA 34 H ALA 34 -6.504 -11.220 -7.044
256 HA ALA 34 HA ALA 34 -8.027 -8.879 -8.075
257 HB1 ALA 34 HB1 ALA 34 -9.479 -10.376 -6.767
258 HB2 ALA 34 HB2 ALA 34 -9.267 -8.823 -5.957
259 HB3 ALA 34 HB3 ALA 34 -8.388 -10.246 -5.387
260 HA PRO 35 HA PRO 35 -4.202 -7.058 -6.065
261 HB2 PRO 35 HB2 PRO 35 -4.219 -5.249 -8.425
262 HB3 PRO 35 HB3 PRO 35 -2.931 -6.309 -7.843
263 HG2 PRO 35 HG2 PRO 35 -4.268 -6.841 -10.123
264 HG3 PRO 35 HG3 PRO 35 -3.712 -8.146 -9.050
265 HD2 PRO 35 HD2 PRO 35 -6.470 -6.907 -9.246
266 HD3 PRO 35 HD3 PRO 35 -6.009 -8.627 -9.231
267 H VAL 36 H VAL 36 -4.209 -5.186 -4.752
268 HA VAL 36 HA VAL 36 -6.632 -3.616 -4.576
269 HB VAL 36 HB VAL 36 -5.646 -2.399 -2.717
270 HG11 VAL 36 HG11 VAL 36 -6.495 -4.623 -2.192
271 HG12 VAL 36 HG12 VAL 36 -5.124 -4.230 -1.156
272 HG13 VAL 36 HG13 VAL 36 -4.912 -5.328 -2.522
273 HG21 VAL 36 HG21 VAL 36 -3.323 -2.713 -1.941
274 HG22 VAL 36 HG22 VAL 36 -3.361 -2.031 -3.568
275 HG23 VAL 36 HG23 VAL 36 -2.989 -3.739 -3.338
276 H ARG 37 H ARG 37 -6.908 -1.417 -4.960
277 HA ARG 37 HA ARG 37 -4.847 0.010 -6.532
278 HB2 ARG 37 HB2 ARG 37 -7.776 0.772 -6.106
279 HB3 ARG 37 HB3 ARG 37 -6.629 1.550 -7.201
280 HG2 ARG 37 HG2 ARG 37 -6.479 -0.658 -8.444
281 HG3 ARG 37 HG3 ARG 37 -7.810 -1.234 -7.430
282 HD2 ARG 37 HD2 ARG 37 -7.925 1.176 -9.284
283 HD3 ARG 37 HD3 ARG 37 -8.564 -0.430 -9.654
284 HE ARG 37 HE ARG 37 -9.604 0.843 -7.247
285 HH11 ARG 37 HH11 ARG 37 -10.113 0.303 -10.624
286 HH12 ARG 37 HH12 ARG 37 -11.809 0.610 -10.516
287 HH21 ARG 37 HH21 ARG 37 -11.772 1.236 -7.147
288 HH22 ARG 37 HH22 ARG 37 -12.729 1.137 -8.582
289 H TRP 38 H TRP 38 -3.882 1.801 -5.668
290 HA TRP 38 HA TRP 38 -4.238 2.367 -2.820
291 HB2 TRP 38 HB2 TRP 38 -2.251 3.391 -4.910
292 HB3 TRP 38 HB3 TRP 38 -2.241 3.908 -3.228
293 HD1 TRP 38 HD1 TRP 38 -1.119 1.035 -5.456
294 HE1 TRP 38 HE1 TRP 38 0.229 -0.631 -4.035
295 HE3 TRP 38 HE3 TRP 38 -2.149 2.908 -0.810
296 HZ2 TRP 38 HZ2 TRP 38 0.762 -1.116 -1.307
297 HZ3 TRP 38 HZ3 TRP 38 -1.192 1.789 1.156
298 HH2 TRP 38 HH2 TRP 38 0.241 -0.187 0.913
299 H TYR 39 H TYR 39 -5.327 4.151 -2.021
300 HA TYR 39 HA TYR 39 -6.240 6.231 -3.935
301 HB2 TYR 39 HB2 TYR 39 -7.645 5.074 -1.503
302 HB3 TYR 39 HB3 TYR 39 -8.151 6.594 -2.235
303 HD1 TYR 39 HD1 TYR 39 -7.363 3.074 -3.335
304 HD2 TYR 39 HD2 TYR 39 -9.927 6.465 -3.778
305 HE1 TYR 39 HE1 TYR 39 -8.720 1.832 -4.955
306 HE2 TYR 39 HE2 TYR 39 -11.289 5.209 -5.399
307 HH TYR 39 HH TYR 39 -10.836 3.233 -7.027
308 H LYS 40 H LYS 40 -5.539 8.262 -3.632
309 HA LYS 40 HA LYS 40 -4.151 9.010 -1.157
310 HB2 LYS 40 HB2 LYS 40 -3.434 9.550 -3.676
311 HB3 LYS 40 HB3 LYS 40 -4.534 10.906 -3.501
312 HG2 LYS 40 HG2 LYS 40 -2.114 10.350 -1.746
313 HG3 LYS 40 HG3 LYS 40 -2.173 11.507 -3.065
314 HD2 LYS 40 HD2 LYS 40 -3.768 12.893 -1.842
315 HD3 LYS 40 HD3 LYS 40 -3.905 11.679 -0.571
316 HE2 LYS 40 HE2 LYS 40 -1.509 12.037 -0.013
317 HE3 LYS 40 HE3 LYS 40 -1.437 13.312 -1.234
318 HZ1 LYS 40 HZ1 LYS 40 -1.781 14.223 0.958
319 HZ2 LYS 40 HZ2 LYS 40 -3.182 13.296 1.170
320 HZ3 LYS 40 HZ3 LYS 40 -3.143 14.511 -0.001
321 H ASP 41 H ASP 41 -5.782 9.231 0.351
322 HA ASP 41 HA ASP 41 -7.671 9.911 1.441
323 HB2 ASP 41 HB2 ASP 41 -6.851 12.505 0.077
324 HB3 ASP 41 HB3 ASP 41 -8.053 12.423 1.360
325 H GLY 42 H GLY 42 -8.360 8.527 -0.859
326 HA2 GLY 42 HA2 GLY 42 -10.454 7.952 -1.761
327 HA3 GLY 42 HA3 GLY 42 -11.040 9.569 -1.432
328 H GLN 43 H GLN 43 -8.526 10.634 -2.867
329 HA GLN 43 HA GLN 43 -9.662 11.185 -5.387
330 HB2 GLN 43 HB2 GLN 43 -8.053 12.686 -4.323
331 HB3 GLN 43 HB3 GLN 43 -6.799 11.454 -4.383
332 HG2 GLN 43 HG2 GLN 43 -6.758 11.617 -6.847
333 HG3 GLN 43 HG3 GLN 43 -8.026 12.841 -6.790
334 HE21 GLN 43 HE21 GLN 43 -6.730 14.388 -7.799
335 HE22 GLN 43 HE22 GLN 43 -5.391 15.147 -7.015
336 H GLU 44 H GLU 44 -7.720 8.529 -4.370
337 HA GLU 44 HA GLU 44 -6.779 6.732 -5.262
338 HB2 GLU 44 HB2 GLU 44 -8.847 6.517 -6.662
339 HB3 GLU 44 HB3 GLU 44 -8.021 7.381 -7.954
340 HG2 GLU 44 HG2 GLU 44 -6.303 5.587 -8.031
341 HG3 GLU 44 HG3 GLU 44 -7.159 4.722 -6.758
342 H VAL 45 H VAL 45 -4.743 6.410 -5.704
343 HA VAL 45 HA VAL 45 -3.025 8.550 -6.491
344 HB VAL 45 HB VAL 45 -2.365 5.623 -5.911
345 HG11 VAL 45 HG11 VAL 45 -0.055 6.407 -5.488
346 HG12 VAL 45 HG12 VAL 45 -0.514 8.035 -5.993
347 HG13 VAL 45 HG13 VAL 45 -0.543 6.709 -7.159
348 HG21 VAL 45 HG21 VAL 45 -3.465 6.714 -3.989
349 HG22 VAL 45 HG22 VAL 45 -2.275 8.016 -4.034
350 HG23 VAL 45 HG23 VAL 45 -1.769 6.374 -3.639
351 H GLU 46 H GLU 46 -2.289 8.988 -8.472
352 HA GLU 46 HA GLU 46 -2.669 7.068 -10.695
353 HB2 GLU 46 HB2 GLU 46 -4.013 9.181 -10.776
354 HB3 GLU 46 HB3 GLU 46 -2.524 10.116 -10.778
355 HG2 GLU 46 HG2 GLU 46 -1.909 9.135 -12.953
356 HG3 GLU 46 HG3 GLU 46 -3.384 8.166 -12.936
357 H GLU 47 H GLU 47 -1.015 6.879 -12.264
358 HA GLU 47 HA GLU 47 1.641 6.838 -11.240
359 HB2 GLU 47 HB2 GLU 47 0.712 6.398 -14.118
360 HB3 GLU 47 HB3 GLU 47 2.277 5.946 -13.459
361 HG2 GLU 47 HG2 GLU 47 1.150 3.911 -13.463
362 HG3 GLU 47 HG3 GLU 47 0.915 4.456 -11.807
363 H SER 48 H SER 48 3.020 8.477 -11.151
364 HA SER 48 HA SER 48 2.971 10.707 -13.103
365 HB2 SER 48 HB2 SER 48 1.771 11.424 -11.059
366 HB3 SER 48 HB3 SER 48 3.137 10.933 -10.060
367 HG SER 48 HG SER 48 3.006 13.224 -10.566
368 H ASP 49 H ASP 49 4.994 12.170 -12.530
369 HA ASP 49 HA ASP 49 7.321 10.754 -13.248
370 HB2 ASP 49 HB2 ASP 49 6.861 13.093 -13.880
371 HB3 ASP 49 HB3 ASP 49 6.959 13.587 -12.195
372 H PHE 50 H PHE 50 6.274 12.070 -10.115
373 HA PHE 50 HA PHE 50 8.618 10.862 -8.747
374 HB2 PHE 50 HB2 PHE 50 8.213 12.513 -6.917
375 HB3 PHE 50 HB3 PHE 50 8.593 13.276 -8.452
376 HD1 PHE 50 HD1 PHE 50 6.691 14.315 -9.816
377 HD2 PHE 50 HD2 PHE 50 6.159 13.041 -5.762
378 HE1 PHE 50 HE1 PHE 50 4.669 15.709 -9.636
379 HE2 PHE 50 HE2 PHE 50 4.138 14.437 -5.600
380 HZ PHE 50 HZ PHE 50 3.390 15.766 -7.532
381 H VAL 51 H VAL 51 5.268 10.492 -9.158
382 HA VAL 51 HA VAL 51 4.976 8.894 -6.671
383 HB VAL 51 HB VAL 51 2.743 9.788 -8.562
384 HG11 VAL 51 HG11 VAL 51 1.233 9.161 -6.705
385 HG12 VAL 51 HG12 VAL 51 2.617 8.616 -5.754
386 HG13 VAL 51 HG13 VAL 51 2.188 7.780 -7.249
387 HG21 VAL 51 HG21 VAL 51 2.144 11.498 -6.878
388 HG22 VAL 51 HG22 VAL 51 3.758 11.782 -7.537
389 HG23 VAL 51 HG23 VAL 51 3.574 11.071 -5.931
390 H VAL 52 H VAL 52 5.678 6.816 -7.137
391 HA VAL 52 HA VAL 52 4.828 5.594 -9.716
392 HB VAL 52 HB VAL 52 6.897 4.207 -9.674
393 HG11 VAL 52 HG11 VAL 52 8.453 5.995 -10.401
394 HG12 VAL 52 HG12 VAL 52 7.408 7.213 -9.663
395 HG13 VAL 52 HG13 VAL 52 6.824 6.259 -11.029
396 HG21 VAL 52 HG21 VAL 52 8.800 4.819 -8.194
397 HG22 VAL 52 HG22 VAL 52 7.417 4.244 -7.263
398 HG23 VAL 52 HG23 VAL 52 7.766 5.972 -7.340
399 H LEU 53 H LEU 53 3.756 3.740 -9.679
400 HA LEU 53 HA LEU 53 3.206 2.391 -7.101
401 HB2 LEU 53 HB2 LEU 53 1.633 2.462 -9.707
402 HB3 LEU 53 HB3 LEU 53 1.162 1.521 -8.297
403 HG LEU 53 HG LEU 53 1.410 4.563 -8.328
404 HD11 LEU 53 HD11 LEU 53 -0.434 3.875 -9.776
405 HD12 LEU 53 HD12 LEU 53 -1.047 4.630 -8.307
406 HD13 LEU 53 HD13 LEU 53 -1.110 2.873 -8.485
407 HD21 LEU 53 HD21 LEU 53 0.279 2.697 -6.205
408 HD22 LEU 53 HD22 LEU 53 0.256 4.460 -6.146
409 HD23 LEU 53 HD23 LEU 53 1.792 3.603 -6.102
410 H GLU 54 H GLU 54 4.498 0.653 -6.843
411 HA GLU 54 HA GLU 54 5.454 -0.912 -9.150
412 HB2 GLU 54 HB2 GLU 54 6.367 -0.942 -6.239
413 HB3 GLU 54 HB3 GLU 54 7.138 -1.804 -7.569
414 HG2 GLU 54 HG2 GLU 54 6.923 1.222 -7.327
415 HG3 GLU 54 HG3 GLU 54 8.344 0.267 -6.894
416 H ASN 55 H ASN 55 4.640 -2.933 -9.559
417 HA ASN 55 HA ASN 55 3.052 -4.311 -7.496
418 HB2 ASN 55 HB2 ASN 55 1.179 -4.677 -9.076
419 HB3 ASN 55 HB3 ASN 55 1.411 -2.979 -8.695
420 HD21 ASN 55 HD21 ASN 55 3.422 -2.262 -10.513
421 HD22 ASN 55 HD22 ASN 55 2.805 -2.437 -12.110
422 H GLU 56 H GLU 56 3.013 -6.477 -7.619
423 HA GLU 56 HA GLU 56 4.111 -8.003 -9.822
424 HB2 GLU 56 HB2 GLU 56 5.907 -9.045 -8.310
425 HB3 GLU 56 HB3 GLU 56 6.229 -7.408 -8.862
426 HG2 GLU 56 HG2 GLU 56 5.675 -6.477 -6.719
427 HG3 GLU 56 HG3 GLU 56 5.020 -8.007 -6.151
428 H GLY 57 H GLY 57 2.166 -9.116 -9.845
429 HA2 GLY 57 HA2 GLY 57 0.612 -10.723 -9.320
430 HA3 GLY 57 HA3 GLY 57 1.818 -11.387 -8.232
431 HA PRO 58 HA PRO 58 -1.380 -10.267 -5.127
432 HB2 PRO 58 HB2 PRO 58 0.528 -11.452 -3.162
433 HB3 PRO 58 HB3 PRO 58 -1.143 -11.904 -3.525
434 HG2 PRO 58 HG2 PRO 58 0.917 -13.465 -4.285
435 HG3 PRO 58 HG3 PRO 58 -0.531 -13.289 -5.302
436 HD2 PRO 58 HD2 PRO 58 2.161 -11.923 -5.580
437 HD3 PRO 58 HD3 PRO 58 1.147 -12.684 -6.833
438 H HIS 59 H HIS 59 1.982 -9.316 -5.167
439 HA HIS 59 HA HIS 59 1.837 -7.590 -2.805
440 HB2 HIS 59 HB2 HIS 59 4.094 -7.897 -4.822
441 HB3 HIS 59 HB3 HIS 59 4.205 -7.105 -3.256
442 HD1 HIS 59 HD1 HIS 59 5.261 -8.533 -1.536
443 HD2 HIS 59 HD2 HIS 59 3.403 -10.818 -4.459
444 HE1 HIS 59 HE1 HIS 59 5.815 -10.905 -0.980
445 HE2 HIS 59 HE2 HIS 59 4.858 -12.245 -2.867
446 H ARG 60 H ARG 60 1.308 -5.474 -2.868
447 HA ARG 60 HA ARG 60 1.491 -3.907 -5.394
448 HB2 ARG 60 HB2 ARG 60 -0.672 -3.691 -3.253
449 HB3 ARG 60 HB3 ARG 60 -0.585 -2.749 -4.743
450 HG2 ARG 60 HG2 ARG 60 -0.908 -5.772 -4.669
451 HG3 ARG 60 HG3 ARG 60 -2.266 -4.643 -4.740
452 HD2 ARG 60 HD2 ARG 60 -0.045 -4.749 -6.814
453 HD3 ARG 60 HD3 ARG 60 -1.580 -5.615 -6.958
454 HE ARG 60 HE ARG 60 -2.093 -2.895 -6.459
455 HH11 ARG 60 HH11 ARG 60 -0.990 -4.923 -9.037
456 HH12 ARG 60 HH12 ARG 60 -1.545 -3.832 -10.254
457 HH21 ARG 60 HH21 ARG 60 -2.810 -1.547 -8.048
458 HH22 ARG 60 HH22 ARG 60 -2.540 -1.955 -9.706
459 H ARG 61 H ARG 61 2.526 -1.928 -5.153
460 HA ARG 61 HA ARG 61 3.319 -1.037 -2.433
461 HB2 ARG 61 HB2 ARG 61 5.197 -1.121 -4.838
462 HB3 ARG 61 HB3 ARG 61 5.615 -0.675 -3.182
463 HG2 ARG 61 HG2 ARG 61 5.349 -2.972 -2.436
464 HG3 ARG 61 HG3 ARG 61 4.690 -3.457 -4.003
465 HD2 ARG 61 HD2 ARG 61 6.880 -2.891 -5.060
466 HD3 ARG 61 HD3 ARG 61 7.531 -2.503 -3.465
467 HE ARG 61 HE ARG 61 6.985 -5.150 -4.570
468 HH11 ARG 61 HH11 ARG 61 7.796 -3.380 -1.697
469 HH12 ARG 61 HH12 ARG 61 8.506 -4.753 -0.933
470 HH21 ARG 61 HH21 ARG 61 7.901 -6.869 -3.575
471 HH22 ARG 61 HH22 ARG 61 8.572 -6.704 -1.990
472 H LEU 62 H LEU 62 3.623 1.145 -2.159
473 HA LEU 62 HA LEU 62 3.221 3.022 -4.425
474 HB2 LEU 62 HB2 LEU 62 1.282 2.812 -2.743
475 HB3 LEU 62 HB3 LEU 62 2.344 3.510 -1.540
476 HG LEU 62 HG LEU 62 1.489 4.946 -4.102
477 HD11 LEU 62 HD11 LEU 62 0.354 5.242 -1.306
478 HD12 LEU 62 HD12 LEU 62 -0.455 4.507 -2.693
479 HD13 LEU 62 HD13 LEU 62 -0.068 6.224 -2.714
480 HD21 LEU 62 HD21 LEU 62 2.250 7.018 -2.994
481 HD22 LEU 62 HD22 LEU 62 3.581 5.882 -3.196
482 HD23 LEU 62 HD23 LEU 62 2.829 6.081 -1.611
483 H VAL 63 H VAL 63 5.329 3.642 -4.792
484 HA VAL 63 HA VAL 63 7.113 4.216 -2.513
485 HB VAL 63 HB VAL 63 7.842 4.120 -5.468
486 HG11 VAL 63 HG11 VAL 63 9.443 5.421 -4.129
487 HG12 VAL 63 HG12 VAL 63 10.181 3.911 -4.664
488 HG13 VAL 63 HG13 VAL 63 9.623 4.075 -2.998
489 HG21 VAL 63 HG21 VAL 63 8.753 1.855 -5.062
490 HG22 VAL 63 HG22 VAL 63 7.010 1.906 -4.786
491 HG23 VAL 63 HG23 VAL 63 8.122 1.891 -3.414
492 H LEU 64 H LEU 64 7.186 6.252 -1.808
493 HA LEU 64 HA LEU 64 7.047 8.529 -3.704
494 HB2 LEU 64 HB2 LEU 64 5.300 8.065 -1.597
495 HB3 LEU 64 HB3 LEU 64 6.482 9.093 -0.818
496 HG LEU 64 HG LEU 64 4.654 10.470 -1.603
497 HD11 LEU 64 HD11 LEU 64 6.883 11.482 -1.797
498 HD12 LEU 64 HD12 LEU 64 5.766 12.101 -3.008
499 HD13 LEU 64 HD13 LEU 64 6.997 10.922 -3.469
500 HD21 LEU 64 HD21 LEU 64 5.107 9.349 -4.389
501 HD22 LEU 64 HD22 LEU 64 3.935 10.592 -3.936
502 HD23 LEU 64 HD23 LEU 64 3.759 8.951 -3.319
503 HA PRO 65 HA PRO 65 11.471 8.399 -2.372
504 HB2 PRO 65 HB2 PRO 65 12.334 10.325 -4.197
505 HB3 PRO 65 HB3 PRO 65 12.160 8.604 -4.563
506 HG2 PRO 65 HG2 PRO 65 10.223 10.861 -5.096
507 HG3 PRO 65 HG3 PRO 65 10.723 9.540 -6.177
508 HD2 PRO 65 HD2 PRO 65 8.381 9.413 -4.885
509 HD3 PRO 65 HD3 PRO 65 9.379 7.951 -5.063
510 H ALA 66 H ALA 66 9.921 11.583 -3.062
511 HA ALA 66 HA ALA 66 11.101 12.680 -0.557
512 HB1 ALA 66 HB1 ALA 66 10.983 14.905 -1.599
513 HB2 ALA 66 HB2 ALA 66 10.317 14.201 -3.076
514 HB3 ALA 66 HB3 ALA 66 11.964 13.812 -2.575
515 H THR 67 H THR 67 9.439 12.139 0.815
516 HA THR 67 HA THR 67 6.662 12.287 0.113
517 HB THR 67 HB THR 67 7.808 11.941 2.922
518 HG1 THR 67 HG1 THR 67 8.684 10.382 1.488
519 HG21 THR 67 HG21 THR 67 5.350 12.372 2.829
520 HG22 THR 67 HG22 THR 67 5.703 10.731 3.370
521 HG23 THR 67 HG23 THR 67 5.161 11.016 1.714
522 H GLN 68 H GLN 68 5.949 14.289 -0.331
523 HA GLN 68 HA GLN 68 6.762 16.712 0.981
524 HB2 GLN 68 HB2 GLN 68 4.353 16.264 -0.833
525 HB3 GLN 68 HB3 GLN 68 5.172 17.796 -0.530
526 HG2 GLN 68 HG2 GLN 68 7.101 17.087 -1.785
527 HG3 GLN 68 HG3 GLN 68 6.492 15.435 -1.902
528 HE21 GLN 68 HE21 GLN 68 4.634 15.046 -3.228
529 HE22 GLN 68 HE22 GLN 68 4.261 16.105 -4.542
530 HA PRO 69 HA PRO 69 3.384 17.142 4.097
531 HB2 PRO 69 HB2 PRO 69 2.731 19.833 3.758
532 HB3 PRO 69 HB3 PRO 69 4.074 19.252 4.753
533 HG2 PRO 69 HG2 PRO 69 4.116 20.278 1.917
534 HG3 PRO 69 HG3 PRO 69 5.241 20.627 3.247
535 HD2 PRO 69 HD2 PRO 69 5.872 18.866 1.313
536 HD3 PRO 69 HD3 PRO 69 6.362 18.576 2.998
537 H SER 70 H SER 70 3.047 18.098 0.721
538 HA SER 70 HA SER 70 0.252 18.120 0.396
539 HB2 SER 70 HB2 SER 70 2.371 17.149 -1.575
540 HB3 SER 70 HB3 SER 70 0.718 17.622 -1.986
541 HG SER 70 HG SER 70 1.890 19.417 -2.357
542 H ASP 71 H ASP 71 2.554 15.390 0.510
543 HA ASP 71 HA ASP 71 0.538 13.368 -0.104
544 HB2 ASP 71 HB2 ASP 71 3.450 13.029 0.728
545 HB3 ASP 71 HB3 ASP 71 2.402 11.757 0.101
546 H GLY 72 H GLY 72 0.895 15.076 2.599
547 HA2 GLY 72 HA2 GLY 72 1.088 13.010 4.643
548 HA3 GLY 72 HA3 GLY 72 0.868 14.731 4.895
549 H GLY 73 H GLY 73 -0.865 11.863 3.708
550 HA2 GLY 73 HA2 GLY 73 -3.253 12.590 5.275
551 HA3 GLY 73 HA3 GLY 73 -3.448 12.399 3.536
552 H GLU 74 H GLU 74 -4.990 10.674 4.178
553 HA GLU 74 HA GLU 74 -3.727 8.174 5.116
554 HB2 GLU 74 HB2 GLU 74 -6.678 8.928 5.007
555 HB3 GLU 74 HB3 GLU 74 -6.051 7.368 5.550
556 HG2 GLU 74 HG2 GLU 74 -4.786 8.565 7.350
557 HG3 GLU 74 HG3 GLU 74 -5.566 10.067 6.851
558 H PHE 75 H PHE 75 -3.232 6.700 3.695
559 HA PHE 75 HA PHE 75 -4.376 6.624 1.007
560 HB2 PHE 75 HB2 PHE 75 -1.947 5.218 2.194
561 HB3 PHE 75 HB3 PHE 75 -2.458 5.098 0.511
562 HD1 PHE 75 HD2 PHE 75 -1.092 7.423 3.082
563 HD2 PHE 75 HD1 PHE 75 -1.982 6.871 -1.065
564 HE1 PHE 75 HE2 PHE 75 0.206 9.439 2.527
565 HE2 PHE 75 HE1 PHE 75 -0.685 8.887 -1.603
566 HZ PHE 75 HZ PHE 75 0.413 10.171 0.186
567 H GLN 76 H GLN 76 -5.853 5.163 0.460
568 HA GLN 76 HA GLN 76 -6.473 2.890 2.275
569 HB2 GLN 76 HB2 GLN 76 -8.194 4.690 2.166
570 HB3 GLN 76 HB3 GLN 76 -8.312 4.474 0.423
571 HG2 GLN 76 HG2 GLN 76 -9.161 2.172 0.778
572 HG3 GLN 76 HG3 GLN 76 -9.052 2.413 2.525
573 HE21 GLN 76 HE21 GLN 76 -10.788 3.305 -0.381
574 HE22 GLN 76 HE22 GLN 76 -12.142 4.012 0.416
575 H CYS 77 H CYS 77 -5.674 1.043 1.374
576 HA CYS 77 HA CYS 77 -5.505 0.710 -1.535
577 HB2 CYS 77 HB2 CYS 77 -4.227 -1.330 -1.000
578 HB3 CYS 77 HB3 CYS 77 -3.573 0.061 -0.146
579 HG CYS 77 HG CYS 77 -4.911 -2.755 1.042
580 H VAL 78 H VAL 78 -7.486 0.283 -2.372
581 HA VAL 78 HA VAL 78 -9.449 -1.403 -1.007
582 HB VAL 78 HB VAL 78 -9.696 0.164 -3.622
583 HG11 VAL 78 HG11 VAL 78 -11.342 -1.669 -3.539
584 HG12 VAL 78 HG12 VAL 78 -12.156 -0.116 -3.339
585 HG13 VAL 78 HG13 VAL 78 -11.874 -1.149 -1.936
586 HG21 VAL 78 HG21 VAL 78 -9.283 1.659 -1.715
587 HG22 VAL 78 HG22 VAL 78 -10.620 0.923 -0.825
588 HG23 VAL 78 HG23 VAL 78 -10.940 1.840 -2.300
589 H ALA 79 H ALA 79 -9.147 -3.567 -1.294
590 HA ALA 79 HA ALA 79 -8.387 -4.795 -3.805
591 HB1 ALA 79 HB1 ALA 79 -8.910 -6.915 -2.653
592 HB2 ALA 79 HB2 ALA 79 -9.612 -6.017 -1.304
593 HB3 ALA 79 HB3 ALA 79 -7.888 -5.878 -1.655
594 H GLY 80 H GLY 80 -11.407 -4.301 -2.010
595 HA2 GLY 80 HA2 GLY 80 -13.230 -3.817 -3.933
596 HA3 GLY 80 HA3 GLY 80 -13.112 -5.574 -4.010
597 H ASP 81 H ASP 81 -13.476 -6.766 -1.982
598 HA ASP 81 HA ASP 81 -15.688 -5.860 -0.389
599 HB2 ASP 81 HB2 ASP 81 -13.808 -8.237 0.003
600 HB3 ASP 81 HB3 ASP 81 -15.325 -7.989 0.870
601 H GLU 82 H GLU 82 -12.190 -6.102 0.087
602 HA GLU 82 HA GLU 82 -12.421 -4.948 2.810
603 HB2 GLU 82 HB2 GLU 82 -11.849 -7.439 2.663
604 HB3 GLU 82 HB3 GLU 82 -10.322 -6.977 1.922
605 HG2 GLU 82 HG2 GLU 82 -9.685 -5.756 3.959
606 HG3 GLU 82 HG3 GLU 82 -11.251 -6.131 4.688
607 H CYS 83 H CYS 83 -10.730 -3.567 3.490
608 HA CYS 83 HA CYS 83 -8.773 -2.581 1.524
609 HB2 CYS 83 HB2 CYS 83 -10.740 -0.707 2.917
610 HB3 CYS 83 HB3 CYS 83 -9.484 -0.247 1.766
611 HG CYS 83 HG CYS 83 -11.956 -0.003 0.517
612 H ALA 84 H ALA 84 -6.840 -2.026 2.521
613 HA ALA 84 HA ALA 84 -6.751 -1.840 5.478
614 HB1 ALA 84 HB1 ALA 84 -4.439 -2.138 3.523
615 HB2 ALA 84 HB2 ALA 84 -5.190 -3.448 4.429
616 HB3 ALA 84 HB3 ALA 84 -4.326 -2.171 5.284
617 H TYR 85 H TYR 85 -5.700 -0.052 6.513
618 HA TYR 85 HA TYR 85 -5.918 2.487 4.982
619 HB2 TYR 85 HB2 TYR 85 -6.581 2.023 7.924
620 HB3 TYR 85 HB3 TYR 85 -6.807 3.522 7.027
621 HD1 TYR 85 HD2 TYR 85 -8.685 3.743 5.400
622 HD2 TYR 85 HD1 TYR 85 -8.149 0.136 7.637
623 HE1 TYR 85 HE2 TYR 85 -10.954 3.021 4.787
624 HE2 TYR 85 HE1 TYR 85 -10.414 -0.582 7.013
625 HH TYR 85 HH TYR 85 -12.552 0.469 6.313
626 H PHE 86 H PHE 86 -4.191 3.807 5.004
627 HA PHE 86 HA PHE 86 -1.955 3.352 6.919
628 HB2 PHE 86 HB2 PHE 86 -1.790 4.228 3.989
629 HB3 PHE 86 HB3 PHE 86 -0.420 4.018 5.069
630 HD1 PHE 86 HD1 PHE 86 -3.271 2.063 3.562
631 HD2 PHE 86 HD2 PHE 86 0.744 1.961 5.034
632 HE1 PHE 86 HE1 PHE 86 -3.050 -0.267 2.810
633 HE2 PHE 86 HE2 PHE 86 0.952 -0.370 4.278
634 HZ PHE 86 HZ PHE 86 -0.941 -1.486 3.170
635 H THR 87 H THR 87 -2.070 5.099 8.335
636 HA THR 87 HA THR 87 -2.820 7.780 7.400
637 HB THR 87 HB THR 87 -2.203 6.865 10.251
638 HG1 THR 87 HG1 THR 87 -4.739 7.187 8.968
639 HG21 THR 87 HG21 THR 87 -3.440 8.889 10.944
640 HG22 THR 87 HG22 THR 87 -3.657 9.350 9.256
641 HG23 THR 87 HG23 THR 87 -2.039 9.332 9.962
642 H VAL 88 H VAL 88 -1.105 8.742 6.362
643 HA VAL 88 HA VAL 88 1.617 8.621 7.479
644 HB VAL 88 HB VAL 88 0.630 9.805 4.842
645 HG11 VAL 88 HG11 VAL 88 3.492 9.381 5.810
646 HG12 VAL 88 HG12 VAL 88 2.694 10.941 5.587
647 HG13 VAL 88 HG13 VAL 88 3.027 9.914 4.192
648 HG21 VAL 88 HG21 VAL 88 0.389 7.344 4.910
649 HG22 VAL 88 HG22 VAL 88 2.086 7.178 5.367
650 HG23 VAL 88 HG23 VAL 88 1.660 7.819 3.779
651 H THR 89 H THR 89 2.448 10.236 8.654
652 HA THR 89 HA THR 89 1.078 12.868 8.825
653 HB THR 89 HB THR 89 1.701 12.877 11.268
654 HG1 THR 89 HG1 THR 89 2.264 10.100 10.951
655 HG21 THR 89 HG21 THR 89 -0.018 10.505 10.457
656 HG22 THR 89 HG22 THR 89 -0.580 12.173 10.610
657 HG23 THR 89 HG23 THR 89 -0.026 11.292 12.037
658 H ILE 90 H ILE 90 2.421 14.452 8.099
659 HA ILE 90 HA ILE 90 5.302 14.032 7.885
660 HB ILE 90 HB ILE 90 3.732 16.518 7.074
661 HG12 ILE 90 HG12 ILE 90 2.764 14.543 5.943
662 HG13 ILE 90 HG13 ILE 90 3.598 15.574 4.792
663 HG21 ILE 90 HG21 ILE 90 6.448 15.494 6.143
664 HG22 ILE 90 HG22 ILE 90 6.164 16.893 7.180
665 HG23 ILE 90 HG23 ILE 90 5.616 16.918 5.504
666 HD11 ILE 90 HD11 ILE 90 3.983 13.245 4.322
667 HD12 ILE 90 HD12 ILE 90 4.640 12.989 5.938
668 HD13 ILE 90 HD13 ILE 90 5.493 14.026 4.790
Start of MODEL 2
1 H HIS 1 H1 HIS 1 -16.647 -20.194 -1.975
2 HA HIS 1 HA HIS 1 -16.120 -19.178 -4.713
3 HB2 HIS 1 HB2 HIS 1 -18.187 -18.216 -3.702
4 HB3 HIS 1 HB3 HIS 1 -17.269 -17.730 -2.282
5 HD1 HIS 1 HD1 HIS 1 -17.675 -16.910 -5.952
6 HD2 HIS 1 HD2 HIS 1 -15.944 -15.279 -2.540
7 HE1 HIS 1 HE1 HIS 1 -16.965 -14.593 -6.594
8 HE2 HIS 1 HE2 HIS 1 -16.101 -13.569 -4.476
9 H MET 2 H MET 2 -14.235 -17.995 -4.962
10 HA MET 2 HA MET 2 -12.385 -17.729 -2.649
11 HB2 MET 2 HB2 MET 2 -11.744 -17.899 -5.627
12 HB3 MET 2 HB3 MET 2 -10.555 -17.717 -4.342
13 HG2 MET 2 HG2 MET 2 -11.070 -19.924 -3.489
14 HG3 MET 2 HG3 MET 2 -12.404 -20.096 -4.634
15 HE1 MET 2 HE1 MET 2 -10.154 -22.359 -4.386
16 HE2 MET 2 HE2 MET 2 -9.859 -22.683 -6.095
17 HE3 MET 2 HE3 MET 2 -11.504 -22.413 -5.521
18 HA PRO 3 HA PRO 3 -13.428 -13.302 -3.684
19 HB2 PRO 3 HB2 PRO 3 -13.372 -12.322 -1.163
20 HB3 PRO 3 HB3 PRO 3 -14.733 -13.304 -1.730
21 HG2 PRO 3 HG2 PRO 3 -12.343 -14.152 -0.088
22 HG3 PRO 3 HG3 PRO 3 -14.064 -14.491 0.198
23 HD2 PRO 3 HD2 PRO 3 -12.381 -16.278 -1.017
24 HD3 PRO 3 HD3 PRO 3 -14.118 -16.202 -1.379
25 H VAL 4 H VAL 4 -12.177 -11.207 -2.445
26 HA VAL 4 HA VAL 4 -9.266 -11.770 -2.592
27 HB VAL 4 HB VAL 4 -9.782 -10.581 -4.594
28 HG11 VAL 4 HG11 VAL 4 -11.207 -8.465 -2.940
29 HG12 VAL 4 HG12 VAL 4 -11.958 -9.633 -4.028
30 HG13 VAL 4 HG13 VAL 4 -10.902 -8.379 -4.679
31 HG21 VAL 4 HG21 VAL 4 -7.685 -9.889 -3.504
32 HG22 VAL 4 HG22 VAL 4 -8.530 -8.623 -2.613
33 HG23 VAL 4 HG23 VAL 4 -8.397 -8.524 -4.368
34 H HIS 5 H HIS 5 -9.045 -12.057 -0.433
35 HA HIS 5 HA HIS 5 -9.557 -9.919 1.474
36 HB2 HIS 5 HB2 HIS 5 -8.342 -12.698 1.719
37 HB3 HIS 5 HB3 HIS 5 -8.328 -11.555 3.059
38 HD1 HIS 5 HD1 HIS 5 -10.061 -12.238 4.650
39 HD2 HIS 5 HD2 HIS 5 -11.359 -12.642 0.729
40 HE1 HIS 5 HE1 HIS 5 -12.435 -13.029 4.808
41 HE2 HIS 5 HE2 HIS 5 -13.254 -13.025 2.437
42 H ILE 6 H ILE 6 -7.532 -9.672 3.087
43 HA ILE 6 HA ILE 6 -5.094 -8.962 1.544
44 HB ILE 6 HB ILE 6 -6.357 -7.351 3.819
45 HG12 ILE 6 HG12 ILE 6 -6.138 -6.727 0.842
46 HG13 ILE 6 HG13 ILE 6 -7.619 -7.097 1.716
47 HG21 ILE 6 HG21 ILE 6 -4.587 -5.670 3.396
48 HG22 ILE 6 HG22 ILE 6 -3.857 -6.736 2.195
49 HG23 ILE 6 HG23 ILE 6 -3.896 -7.216 3.892
50 HD11 ILE 6 HD11 ILE 6 -5.899 -4.646 2.067
51 HD12 ILE 6 HD12 ILE 6 -7.366 -5.010 2.983
52 HD13 ILE 6 HD13 ILE 6 -7.453 -4.748 1.242
53 H VAL 7 H VAL 7 -3.410 -10.165 2.266
54 HA VAL 7 HA VAL 7 -3.407 -11.359 4.939
55 HB VAL 7 HB VAL 7 -1.317 -12.522 4.235
56 HG11 VAL 7 HG11 VAL 7 -3.613 -12.805 2.259
57 HG12 VAL 7 HG12 VAL 7 -3.483 -13.598 3.829
58 HG13 VAL 7 HG13 VAL 7 -2.350 -14.007 2.541
59 HG21 VAL 7 HG21 VAL 7 -1.693 -11.122 1.549
60 HG22 VAL 7 HG22 VAL 7 -0.504 -12.384 1.894
61 HG23 VAL 7 HG23 VAL 7 -0.386 -10.818 2.698
62 H ASP 8 H ASP 8 -1.898 -8.705 3.265
63 HA ASP 8 HA ASP 8 -0.580 -7.775 5.697
64 HB2 ASP 8 HB2 ASP 8 1.184 -9.086 4.610
65 HB3 ASP 8 HB3 ASP 8 0.903 -8.263 3.077
66 HA PRO 9 HA PRO 9 0.232 -5.889 6.541
67 HB2 PRO 9 HB2 PRO 9 -0.771 -3.674 7.750
68 HB3 PRO 9 HB3 PRO 9 0.536 -3.574 6.558
69 HG2 PRO 9 HG2 PRO 9 -2.429 -3.132 6.163
70 HG3 PRO 9 HG3 PRO 9 -1.071 -2.122 5.616
71 HD2 PRO 9 HD2 PRO 9 -2.315 -3.905 3.968
72 HD3 PRO 9 HD3 PRO 9 -0.584 -3.524 3.812
73 H ARG 10 H ARG 10 -0.496 -6.483 8.621
74 HA ARG 10 HA ARG 10 -3.082 -7.784 8.711
75 HB2 ARG 10 HB2 ARG 10 -0.804 -7.697 10.735
76 HB3 ARG 10 HB3 ARG 10 -2.285 -8.608 10.984
77 HG2 ARG 10 HG2 ARG 10 -0.706 -10.201 10.233
78 HG3 ARG 10 HG3 ARG 10 -1.737 -9.882 8.842
79 HD2 ARG 10 HD2 ARG 10 0.057 -8.288 8.007
80 HD3 ARG 10 HD3 ARG 10 1.091 -8.877 9.317
81 HE ARG 10 HE ARG 10 0.026 -11.004 7.737
82 HH11 ARG 10 HH11 ARG 10 2.606 -8.679 7.753
83 HH12 ARG 10 HH12 ARG 10 3.531 -9.584 6.612
84 HH21 ARG 10 HH21 ARG 10 1.220 -12.096 6.297
85 HH22 ARG 10 HH22 ARG 10 2.763 -11.497 5.804
86 H GLU 11 H GLU 11 -2.373 -4.666 9.205
87 HA GLU 11 HA GLU 11 -4.793 -4.061 10.609
88 HB2 GLU 11 HB2 GLU 11 -3.845 -2.907 12.546
89 HB3 GLU 11 HB3 GLU 11 -3.290 -4.578 12.552
90 HG2 GLU 11 HG2 GLU 11 -1.094 -3.941 11.787
91 HG3 GLU 11 HG3 GLU 11 -1.613 -2.284 11.476
92 H HIS 12 H HIS 12 -4.792 -1.565 11.126
93 HA HIS 12 HA HIS 12 -4.116 0.046 8.894
94 HB2 HIS 12 HB2 HIS 12 -4.697 1.970 10.543
95 HB3 HIS 12 HB3 HIS 12 -5.953 0.803 10.174
96 HD1 HIS 12 HD1 HIS 12 -3.487 -0.385 12.708
97 HD2 HIS 12 HD2 HIS 12 -7.130 1.625 12.653
98 HE1 HIS 12 HE1 HIS 12 -4.388 -0.556 15.039
99 HE2 HIS 12 HE2 HIS 12 -6.497 0.805 15.020
100 H VAL 13 H VAL 13 -2.155 0.821 8.318
101 HA VAL 13 HA VAL 13 0.071 0.855 10.246
102 HB VAL 13 HB VAL 13 0.130 1.326 7.233
103 HG11 VAL 13 HG11 VAL 13 2.456 0.921 9.165
104 HG12 VAL 13 HG12 VAL 13 2.038 2.430 8.350
105 HG13 VAL 13 HG13 VAL 13 2.587 1.045 7.406
106 HG21 VAL 13 HG21 VAL 13 1.060 -0.958 7.079
107 HG22 VAL 13 HG22 VAL 13 -0.557 -0.969 7.785
108 HG23 VAL 13 HG23 VAL 13 0.859 -1.162 8.822
109 H PHE 14 H PHE 14 0.188 2.676 11.437
110 HA PHE 14 HA PHE 14 -0.173 5.337 10.291
111 HB2 PHE 14 HB2 PHE 14 -0.852 4.874 12.656
112 HB3 PHE 14 HB3 PHE 14 0.819 4.508 13.064
113 HD1 PHE 14 HD1 PHE 14 -1.562 7.204 12.202
114 HD2 PHE 14 HD2 PHE 14 2.470 6.326 13.340
115 HE1 PHE 14 HE1 PHE 14 -1.174 9.581 12.688
116 HE2 PHE 14 HE2 PHE 14 2.845 8.710 13.828
117 HZ PHE 14 HZ PHE 14 1.025 10.337 13.503
118 H VAL 15 H VAL 15 1.459 6.404 9.290
119 HA VAL 15 HA VAL 15 4.266 5.516 9.658
120 HB VAL 15 HB VAL 15 3.061 6.921 7.226
121 HG11 VAL 15 HG11 VAL 15 5.854 5.771 7.640
122 HG12 VAL 15 HG12 VAL 15 5.440 7.483 7.522
123 HG13 VAL 15 HG13 VAL 15 5.235 6.430 6.124
124 HG21 VAL 15 HG21 VAL 15 3.858 4.000 7.557
125 HG22 VAL 15 HG22 VAL 15 3.347 4.752 6.044
126 HG23 VAL 15 HG23 VAL 15 2.213 4.619 7.389
127 H HIS 16 H HIS 16 5.216 6.917 11.088
128 HA HIS 16 HA HIS 16 4.916 9.787 10.985
129 HB2 HIS 16 HB2 HIS 16 5.624 8.662 13.080
130 HB3 HIS 16 HB3 HIS 16 7.064 8.041 12.285
131 HD1 HIS 16 HD1 HIS 16 9.115 9.460 12.471
132 HD2 HIS 16 HD2 HIS 16 5.654 11.608 13.309
133 HE1 HIS 16 HE1 HIS 16 9.892 11.713 13.238
134 HE2 HIS 16 HE2 HIS 16 7.794 13.047 13.551
135 H ALA 17 H ALA 17 5.734 10.963 9.298
136 HA ALA 17 HA ALA 17 8.026 9.895 7.727
137 HB1 ALA 17 HB1 ALA 17 5.601 11.405 6.703
138 HB2 ALA 17 HB2 ALA 17 5.874 9.669 6.548
139 HB3 ALA 17 HB3 ALA 17 6.942 10.807 5.722
140 H ILE 18 H ILE 18 9.396 11.381 6.722
141 HA ILE 18 HA ILE 18 9.327 14.219 7.604
142 HB ILE 18 HB ILE 18 11.765 12.506 6.928
143 HG12 ILE 18 HG12 ILE 18 10.830 11.883 9.134
144 HG13 ILE 18 HG13 ILE 18 12.398 12.657 9.314
145 HG21 ILE 18 HG21 ILE 18 12.150 14.825 6.270
146 HG22 ILE 18 HG22 ILE 18 13.151 14.413 7.663
147 HG23 ILE 18 HG23 ILE 18 11.692 15.384 7.881
148 HD11 ILE 18 HD11 ILE 18 10.826 13.370 11.028
149 HD12 ILE 18 HD12 ILE 18 9.720 13.970 9.793
150 HD13 ILE 18 HD13 ILE 18 11.301 14.728 10.008
151 H THR 19 H THR 19 9.745 15.765 5.971
152 HA THR 19 HA THR 19 8.486 15.272 3.526
153 HB THR 19 HB THR 19 10.256 17.643 4.258
154 HG1 THR 19 HG1 THR 19 8.352 17.141 5.614
155 HG21 THR 19 HG21 THR 19 8.117 17.421 2.098
156 HG22 THR 19 HG22 THR 19 9.852 17.592 1.822
157 HG23 THR 19 HG23 THR 19 8.946 18.910 2.567
158 H SER 20 H SER 20 11.962 15.606 4.197
159 HA SER 20 HA SER 20 12.719 15.280 1.382
160 HB2 SER 20 HB2 SER 20 13.864 16.951 2.848
161 HB3 SER 20 HB3 SER 20 14.486 15.632 3.839
162 HG SER 20 HG SER 20 15.732 14.946 2.137
163 H GLU 21 H GLU 21 11.731 13.045 3.499
164 HA GLU 21 HA GLU 21 13.771 10.992 2.833
165 HB2 GLU 21 HB2 GLU 21 11.645 11.011 5.022
166 HB3 GLU 21 HB3 GLU 21 12.712 9.648 4.683
167 HG2 GLU 21 HG2 GLU 21 13.607 12.410 5.577
168 HG3 GLU 21 HG3 GLU 21 13.454 11.000 6.621
169 H CYS 22 H CYS 22 12.986 8.820 2.332
170 HA CYS 22 HA CYS 22 10.683 8.863 0.498
171 HB2 CYS 22 HB2 CYS 22 11.662 6.804 -0.456
172 HB3 CYS 22 HB3 CYS 22 12.841 8.111 -0.425
173 HG CYS 22 HG CYS 22 12.956 6.083 2.252
174 H VAL 23 H VAL 23 8.786 7.960 1.076
175 HA VAL 23 HA VAL 23 8.704 5.895 3.210
176 HB VAL 23 HB VAL 23 6.566 7.871 2.293
177 HG11 VAL 23 HG11 VAL 23 5.437 5.740 2.759
178 HG12 VAL 23 HG12 VAL 23 5.076 6.899 4.038
179 HG13 VAL 23 HG13 VAL 23 6.255 5.617 4.320
180 HG21 VAL 23 HG21 VAL 23 8.266 8.836 3.794
181 HG22 VAL 23 HG22 VAL 23 7.982 7.552 4.971
182 HG23 VAL 23 HG23 VAL 23 6.709 8.722 4.619
183 H MET 24 H MET 24 8.433 3.881 2.501
184 HA MET 24 HA MET 24 6.922 3.290 0.035
185 HB2 MET 24 HB2 MET 24 9.157 2.242 0.254
186 HB3 MET 24 HB3 MET 24 8.676 1.497 1.772
187 HG2 MET 24 HG2 MET 24 6.938 0.199 0.533
188 HG3 MET 24 HG3 MET 24 7.553 0.884 -0.973
189 HE1 MET 24 HE1 MET 24 11.194 -0.636 -1.083
190 HE2 MET 24 HE2 MET 24 10.732 0.923 -0.401
191 HE3 MET 24 HE3 MET 24 10.020 0.380 -1.921
192 H LEU 25 H LEU 25 4.787 3.334 0.549
193 HA LEU 25 HA LEU 25 3.608 2.102 2.885
194 HB2 LEU 25 HB2 LEU 25 2.357 3.033 0.265
195 HB3 LEU 25 HB3 LEU 25 1.463 2.605 1.720
196 HG LEU 25 HG LEU 25 3.442 4.916 1.560
197 HD11 LEU 25 HD11 LEU 25 0.420 5.026 1.361
198 HD12 LEU 25 HD12 LEU 25 1.569 5.348 0.059
199 HD13 LEU 25 HD13 LEU 25 1.510 6.413 1.461
200 HD21 LEU 25 HD21 LEU 25 2.425 5.650 3.681
201 HD22 LEU 25 HD22 LEU 25 3.148 4.053 3.840
202 HD23 LEU 25 HD23 LEU 25 1.394 4.215 3.700
203 H ALA 26 H ALA 26 3.964 -0.089 3.000
204 HA ALA 26 HA ALA 26 3.961 -1.775 0.602
205 HB1 ALA 26 HB1 ALA 26 4.683 -2.461 3.470
206 HB2 ALA 26 HB2 ALA 26 5.816 -1.957 2.218
207 HB3 ALA 26 HB3 ALA 26 4.949 -3.483 2.056
208 H CYS 27 H CYS 27 2.281 -3.032 0.024
209 HA CYS 27 HA CYS 27 0.459 -4.205 2.007
210 HB2 CYS 27 HB2 CYS 27 -0.691 -2.142 1.294
211 HB3 CYS 27 HB3 CYS 27 -0.538 -2.617 -0.395
212 HG CYS 27 HG CYS 27 -2.151 -4.726 1.714
213 H GLU 28 H GLU 28 0.215 -6.285 1.581
214 HA GLU 28 HA GLU 28 0.414 -7.366 -1.183
215 HB2 GLU 28 HB2 GLU 28 2.402 -7.886 0.244
216 HB3 GLU 28 HB3 GLU 28 1.345 -8.606 1.447
217 HG2 GLU 28 HG2 GLU 28 0.657 -10.287 -0.328
218 HG3 GLU 28 HG3 GLU 28 1.954 -9.634 -1.333
219 H VAL 29 H VAL 29 -1.597 -8.150 -1.774
220 HA VAL 29 HA VAL 29 -3.583 -8.828 0.281
221 HB VAL 29 HB VAL 29 -5.232 -8.928 -1.563
222 HG11 VAL 29 HG11 VAL 29 -4.817 -6.775 -0.452
223 HG12 VAL 29 HG12 VAL 29 -5.224 -6.525 -2.148
224 HG13 VAL 29 HG13 VAL 29 -3.546 -6.391 -1.616
225 HG21 VAL 29 HG21 VAL 29 -4.611 -8.290 -3.888
226 HG22 VAL 29 HG22 VAL 29 -3.807 -9.777 -3.385
227 HG23 VAL 29 HG23 VAL 29 -2.905 -8.262 -3.423
228 H ASP 30 H ASP 30 -5.037 -10.741 -0.199
229 HA ASP 30 HA ASP 30 -3.476 -13.157 -0.238
230 HB2 ASP 30 HB2 ASP 30 -5.348 -12.868 1.326
231 HB3 ASP 30 HB3 ASP 30 -6.472 -12.663 -0.008
232 H ARG 31 H ARG 31 -5.804 -11.613 -2.465
233 HA ARG 31 HA ARG 31 -5.713 -13.945 -4.281
234 HB2 ARG 31 HB2 ARG 31 -7.950 -12.903 -3.463
235 HB3 ARG 31 HB3 ARG 31 -7.603 -11.586 -4.570
236 HG2 ARG 31 HG2 ARG 31 -9.072 -13.066 -5.729
237 HG3 ARG 31 HG3 ARG 31 -7.472 -13.330 -6.437
238 HD2 ARG 31 HD2 ARG 31 -7.217 -15.273 -4.798
239 HD3 ARG 31 HD3 ARG 31 -8.932 -15.072 -4.425
240 HE ARG 31 HE ARG 31 -8.794 -15.333 -7.157
241 HH11 ARG 31 HH11 ARG 31 -7.830 -17.291 -4.460
242 HH12 ARG 31 HH12 ARG 31 -8.004 -18.766 -5.338
243 HH21 ARG 31 HH21 ARG 31 -8.923 -17.235 -8.269
244 HH22 ARG 31 HH22 ARG 31 -8.587 -18.734 -7.470
245 H GLU 32 H GLU 32 -4.206 -13.811 -5.790
246 HA GLU 32 HA GLU 32 -2.874 -11.483 -6.690
247 HB2 GLU 32 HB2 GLU 32 -1.812 -13.671 -6.730
248 HB3 GLU 32 HB3 GLU 32 -3.030 -14.301 -7.833
249 HG2 GLU 32 HG2 GLU 32 -2.204 -12.838 -9.616
250 HG3 GLU 32 HG3 GLU 32 -1.040 -12.116 -8.514
251 H ASP 33 H ASP 33 -5.652 -13.261 -8.005
252 HA ASP 33 HA ASP 33 -5.743 -12.365 -10.639
253 HB2 ASP 33 HB2 ASP 33 -8.124 -13.022 -8.857
254 HB3 ASP 33 HB3 ASP 33 -8.118 -13.038 -10.619
255 H ALA 34 H ALA 34 -6.792 -10.642 -7.750
256 HA ALA 34 HA ALA 34 -8.340 -8.652 -9.231
257 HB1 ALA 34 HB1 ALA 34 -8.877 -7.728 -7.022
258 HB2 ALA 34 HB2 ALA 34 -7.729 -8.838 -6.264
259 HB3 ALA 34 HB3 ALA 34 -9.169 -9.470 -7.065
260 HA PRO 35 HA PRO 35 -4.705 -5.831 -9.283
261 HB2 PRO 35 HB2 PRO 35 -6.202 -3.991 -10.964
262 HB3 PRO 35 HB3 PRO 35 -4.893 -5.070 -11.446
263 HG2 PRO 35 HG2 PRO 35 -7.538 -5.353 -12.253
264 HG3 PRO 35 HG3 PRO 35 -6.340 -6.659 -12.257
265 HD2 PRO 35 HD2 PRO 35 -8.497 -6.071 -10.239
266 HD3 PRO 35 HD3 PRO 35 -7.925 -7.637 -10.864
267 H VAL 36 H VAL 36 -5.078 -5.367 -7.018
268 HA VAL 36 HA VAL 36 -7.281 -3.764 -6.130
269 HB VAL 36 HB VAL 36 -6.460 -3.999 -3.904
270 HG11 VAL 36 HG11 VAL 36 -7.328 -6.082 -4.890
271 HG12 VAL 36 HG12 VAL 36 -6.073 -6.438 -3.705
272 HG13 VAL 36 HG13 VAL 36 -5.707 -6.529 -5.429
273 HG21 VAL 36 HG21 VAL 36 -4.188 -4.797 -3.309
274 HG22 VAL 36 HG22 VAL 36 -4.134 -3.269 -4.185
275 HG23 VAL 36 HG23 VAL 36 -3.735 -4.772 -5.016
276 H ARG 37 H ARG 37 -7.045 -1.685 -4.901
277 HA ARG 37 HA ARG 37 -5.344 0.128 -6.525
278 HB2 ARG 37 HB2 ARG 37 -7.320 1.654 -6.756
279 HB3 ARG 37 HB3 ARG 37 -7.514 0.125 -7.582
280 HG2 ARG 37 HG2 ARG 37 -8.704 0.577 -4.843
281 HG3 ARG 37 HG3 ARG 37 -9.539 1.086 -6.308
282 HD2 ARG 37 HD2 ARG 37 -8.705 -1.759 -5.632
283 HD3 ARG 37 HD3 ARG 37 -10.344 -1.104 -5.531
284 HE ARG 37 HE ARG 37 -9.651 -0.653 -8.110
285 HH11 ARG 37 HH11 ARG 37 -9.700 -3.552 -6.200
286 HH12 ARG 37 HH12 ARG 37 -9.980 -4.560 -7.575
287 HH21 ARG 37 HH21 ARG 37 -9.991 -1.961 -9.821
288 HH22 ARG 37 HH22 ARG 37 -10.124 -3.669 -9.604
289 H TRP 38 H TRP 38 -4.576 1.912 -5.602
290 HA TRP 38 HA TRP 38 -4.960 2.446 -2.729
291 HB2 TRP 38 HB2 TRP 38 -2.961 3.476 -4.797
292 HB3 TRP 38 HB3 TRP 38 -3.015 4.050 -3.134
293 HD1 TRP 38 HD1 TRP 38 -2.044 0.910 -5.180
294 HE1 TRP 38 HE1 TRP 38 -0.549 -0.564 -3.693
295 HE3 TRP 38 HE3 TRP 38 -2.499 3.476 -0.790
296 HZ2 TRP 38 HZ2 TRP 38 0.317 -0.635 -1.022
297 HZ3 TRP 38 HZ3 TRP 38 -1.313 2.645 1.190
298 HH2 TRP 38 HH2 TRP 38 0.076 0.630 1.079
299 H TYR 39 H TYR 39 -6.058 4.273 -2.011
300 HA TYR 39 HA TYR 39 -6.791 6.399 -3.969
301 HB2 TYR 39 HB2 TYR 39 -8.346 5.259 -1.612
302 HB3 TYR 39 HB3 TYR 39 -8.703 6.865 -2.233
303 HD1 TYR 39 HD1 TYR 39 -8.797 3.233 -3.048
304 HD2 TYR 39 HD2 TYR 39 -9.839 7.172 -4.347
305 HE1 TYR 39 HE1 TYR 39 -10.241 2.289 -4.791
306 HE2 TYR 39 HE2 TYR 39 -11.277 6.219 -6.091
307 HH TYR 39 HH TYR 39 -11.300 3.981 -7.397
308 H LYS 40 H LYS 40 -5.925 8.367 -3.586
309 HA LYS 40 HA LYS 40 -4.668 8.949 -0.987
310 HB2 LYS 40 HB2 LYS 40 -3.565 9.334 -3.392
311 HB3 LYS 40 HB3 LYS 40 -4.484 10.829 -3.370
312 HG2 LYS 40 HG2 LYS 40 -2.511 10.003 -1.221
313 HG3 LYS 40 HG3 LYS 40 -2.088 11.021 -2.594
314 HD2 LYS 40 HD2 LYS 40 -3.347 12.849 -1.781
315 HD3 LYS 40 HD3 LYS 40 -4.336 11.839 -0.731
316 HE2 LYS 40 HE2 LYS 40 -2.439 11.487 0.760
317 HE3 LYS 40 HE3 LYS 40 -1.398 12.422 -0.314
318 HZ1 LYS 40 HZ1 LYS 40 -2.164 13.723 1.566
319 HZ2 LYS 40 HZ2 LYS 40 -3.778 13.474 1.114
320 HZ3 LYS 40 HZ3 LYS 40 -2.742 14.365 0.113
321 H ASP 41 H ASP 41 -6.205 9.624 0.410
322 HA ASP 41 HA ASP 41 -7.961 10.637 1.414
323 HB2 ASP 41 HB2 ASP 41 -7.586 12.888 -0.602
324 HB3 ASP 41 HB3 ASP 41 -8.371 13.004 0.970
325 H GLY 42 H GLY 42 -8.443 8.867 -0.927
326 HA2 GLY 42 HA2 GLY 42 -10.302 7.996 -1.992
327 HA3 GLY 42 HA3 GLY 42 -11.262 9.323 -1.367
328 H GLN 43 H GLN 43 -8.615 10.646 -2.918
329 HA GLN 43 HA GLN 43 -10.164 11.530 -5.209
330 HB2 GLN 43 HB2 GLN 43 -7.259 12.151 -4.520
331 HB3 GLN 43 HB3 GLN 43 -8.292 13.042 -5.638
332 HG2 GLN 43 HG2 GLN 43 -9.671 13.837 -3.803
333 HG3 GLN 43 HG3 GLN 43 -8.783 12.838 -2.651
334 HE21 GLN 43 HE21 GLN 43 -6.610 13.429 -2.128
335 HE22 GLN 43 HE22 GLN 43 -6.033 15.034 -2.400
336 H GLU 44 H GLU 44 -8.577 8.745 -4.735
337 HA GLU 44 HA GLU 44 -7.774 7.047 -5.959
338 HB2 GLU 44 HB2 GLU 44 -9.509 7.653 -7.642
339 HB3 GLU 44 HB3 GLU 44 -8.372 8.726 -8.437
340 HG2 GLU 44 HG2 GLU 44 -8.479 6.723 -9.727
341 HG3 GLU 44 HG3 GLU 44 -6.915 6.728 -8.917
342 H VAL 45 H VAL 45 -5.701 6.438 -6.054
343 HA VAL 45 HA VAL 45 -3.565 8.362 -6.519
344 HB VAL 45 HB VAL 45 -3.527 5.395 -5.829
345 HG11 VAL 45 HG11 VAL 45 -1.094 7.179 -6.245
346 HG12 VAL 45 HG12 VAL 45 -1.557 5.796 -7.239
347 HG13 VAL 45 HG13 VAL 45 -1.066 5.549 -5.564
348 HG21 VAL 45 HG21 VAL 45 -2.684 7.844 -4.232
349 HG22 VAL 45 HG22 VAL 45 -2.594 6.170 -3.676
350 HG23 VAL 45 HG23 VAL 45 -4.164 6.908 -3.995
351 H GLU 46 H GLU 46 -2.974 8.884 -8.492
352 HA GLU 46 HA GLU 46 -2.897 6.875 -10.677
353 HB2 GLU 46 HB2 GLU 46 -2.879 9.929 -10.902
354 HB3 GLU 46 HB3 GLU 46 -2.991 8.775 -12.234
355 HG2 GLU 46 HG2 GLU 46 -5.190 8.034 -11.417
356 HG3 GLU 46 HG3 GLU 46 -5.084 9.157 -10.064
357 H GLU 47 H GLU 47 -0.974 6.875 -12.032
358 HA GLU 47 HA GLU 47 1.436 6.946 -10.511
359 HB2 GLU 47 HB2 GLU 47 1.156 6.578 -13.527
360 HB3 GLU 47 HB3 GLU 47 2.569 6.184 -12.562
361 HG2 GLU 47 HG2 GLU 47 1.592 4.101 -12.920
362 HG3 GLU 47 HG3 GLU 47 1.012 4.521 -11.311
363 H SER 48 H SER 48 1.928 8.999 -9.847
364 HA SER 48 HA SER 48 2.228 11.247 -11.694
365 HB2 SER 48 HB2 SER 48 1.267 11.599 -9.418
366 HB3 SER 48 HB3 SER 48 2.779 11.053 -8.694
367 HG SER 48 HG SER 48 2.182 13.486 -9.267
368 H ASP 49 H ASP 49 4.352 12.626 -11.055
369 HA ASP 49 HA ASP 49 6.657 11.454 -12.127
370 HB2 ASP 49 HB2 ASP 49 6.546 13.811 -10.185
371 HB3 ASP 49 HB3 ASP 49 7.822 13.475 -11.356
372 H PHE 50 H PHE 50 5.731 11.980 -8.739
373 HA PHE 50 HA PHE 50 8.057 10.556 -7.691
374 HB2 PHE 50 HB2 PHE 50 5.740 11.910 -6.243
375 HB3 PHE 50 HB3 PHE 50 7.151 11.203 -5.456
376 HD1 PHE 50 HD1 PHE 50 9.392 12.246 -5.713
377 HD2 PHE 50 HD2 PHE 50 5.889 14.084 -7.344
378 HE1 PHE 50 HE1 PHE 50 10.623 14.351 -6.006
379 HE2 PHE 50 HE2 PHE 50 7.133 16.190 -7.628
380 HZ PHE 50 HZ PHE 50 9.502 16.321 -6.966
381 H VAL 51 H VAL 51 4.507 10.095 -7.849
382 HA VAL 51 HA VAL 51 4.460 7.776 -6.186
383 HB VAL 51 HB VAL 51 2.362 8.624 -8.242
384 HG11 VAL 51 HG11 VAL 51 0.779 7.299 -6.874
385 HG12 VAL 51 HG12 VAL 51 2.103 6.783 -5.828
386 HG13 VAL 51 HG13 VAL 51 2.074 6.293 -7.524
387 HG21 VAL 51 HG21 VAL 51 1.186 9.763 -6.391
388 HG22 VAL 51 HG22 VAL 51 2.791 10.454 -6.634
389 HG23 VAL 51 HG23 VAL 51 2.501 9.354 -5.286
390 H VAL 52 H VAL 52 5.835 6.176 -6.880
391 HA VAL 52 HA VAL 52 5.286 4.894 -9.496
392 HB VAL 52 HB VAL 52 7.503 3.725 -9.214
393 HG11 VAL 52 HG11 VAL 52 7.310 5.722 -10.644
394 HG12 VAL 52 HG12 VAL 52 8.892 5.665 -9.866
395 HG13 VAL 52 HG13 VAL 52 7.652 6.769 -9.262
396 HG21 VAL 52 HG21 VAL 52 7.760 3.891 -6.769
397 HG22 VAL 52 HG22 VAL 52 7.912 5.646 -6.882
398 HG23 VAL 52 HG23 VAL 52 9.155 4.605 -7.584
399 H LEU 53 H LEU 53 4.129 3.124 -9.455
400 HA LEU 53 HA LEU 53 3.526 1.729 -6.933
401 HB2 LEU 53 HB2 LEU 53 2.198 1.537 -9.671
402 HB3 LEU 53 HB3 LEU 53 1.631 0.746 -8.205
403 HG LEU 53 HG LEU 53 1.750 3.765 -8.632
404 HD11 LEU 53 HD11 LEU 53 -0.699 3.692 -8.757
405 HD12 LEU 53 HD12 LEU 53 -0.669 1.930 -8.652
406 HD13 LEU 53 HD13 LEU 53 0.038 2.744 -10.049
407 HD21 LEU 53 HD21 LEU 53 2.050 3.181 -6.265
408 HD22 LEU 53 HD22 LEU 53 0.591 2.187 -6.299
409 HD23 LEU 53 HD23 LEU 53 0.477 3.936 -6.522
410 H GLU 54 H GLU 54 4.707 -0.065 -6.476
411 HA GLU 54 HA GLU 54 5.902 -1.676 -8.638
412 HB2 GLU 54 HB2 GLU 54 6.338 -1.859 -5.625
413 HB3 GLU 54 HB3 GLU 54 7.199 -2.794 -6.845
414 HG2 GLU 54 HG2 GLU 54 8.060 -0.596 -7.769
415 HG3 GLU 54 HG3 GLU 54 7.356 0.195 -6.358
416 H ASN 55 H ASN 55 4.888 -3.459 -9.324
417 HA ASN 55 HA ASN 55 3.026 -4.880 -7.541
418 HB2 ASN 55 HB2 ASN 55 1.515 -5.145 -9.652
419 HB3 ASN 55 HB3 ASN 55 1.464 -3.660 -8.722
420 HD21 ASN 55 HD21 ASN 55 3.978 -4.453 -11.149
421 HD22 ASN 55 HD22 ASN 55 3.505 -3.209 -12.235
422 H GLU 56 H GLU 56 3.700 -6.857 -7.262
423 HA GLU 56 HA GLU 56 4.530 -8.547 -9.555
424 HB2 GLU 56 HB2 GLU 56 6.525 -8.088 -8.201
425 HB3 GLU 56 HB3 GLU 56 5.683 -8.530 -6.724
426 HG2 GLU 56 HG2 GLU 56 7.206 -10.299 -7.349
427 HG3 GLU 56 HG3 GLU 56 5.549 -10.874 -7.502
428 H GLY 57 H GLY 57 2.493 -9.456 -9.838
429 HA2 GLY 57 HA2 GLY 57 0.645 -10.762 -9.486
430 HA3 GLY 57 HA3 GLY 57 1.591 -11.601 -8.272
431 HA PRO 58 HA PRO 58 -1.535 -9.769 -5.446
432 HB2 PRO 58 HB2 PRO 58 -0.830 -11.015 -3.159
433 HB3 PRO 58 HB3 PRO 58 -1.586 -11.905 -4.493
434 HG2 PRO 58 HG2 PRO 58 1.345 -11.695 -3.772
435 HG3 PRO 58 HG3 PRO 58 0.397 -13.148 -4.160
436 HD2 PRO 58 HD2 PRO 58 1.975 -11.874 -6.006
437 HD3 PRO 58 HD3 PRO 58 0.496 -12.755 -6.453
438 H HIS 59 H HIS 59 1.884 -9.283 -5.322
439 HA HIS 59 HA HIS 59 1.985 -7.502 -3.028
440 HB2 HIS 59 HB2 HIS 59 4.008 -7.932 -5.280
441 HB3 HIS 59 HB3 HIS 59 4.308 -7.037 -3.798
442 HD1 HIS 59 HD1 HIS 59 5.218 -8.337 -1.882
443 HD2 HIS 59 HD2 HIS 59 3.606 -10.806 -4.802
444 HE1 HIS 59 HE1 HIS 59 5.858 -10.664 -1.219
445 HE2 HIS 59 HE2 HIS 59 5.007 -12.126 -3.080
446 H ARG 60 H ARG 60 0.958 -5.547 -3.163
447 HA ARG 60 HA ARG 60 1.247 -3.844 -5.583
448 HB2 ARG 60 HB2 ARG 60 -1.300 -4.390 -3.998
449 HB3 ARG 60 HB3 ARG 60 -1.154 -3.101 -5.183
450 HG2 ARG 60 HG2 ARG 60 -0.685 -5.998 -5.946
451 HG3 ARG 60 HG3 ARG 60 -2.311 -5.316 -5.879
452 HD2 ARG 60 HD2 ARG 60 -0.039 -4.259 -7.602
453 HD3 ARG 60 HD3 ARG 60 -1.367 -5.276 -8.174
454 HE ARG 60 HE ARG 60 -2.509 -3.057 -6.944
455 HH11 ARG 60 HH11 ARG 60 -0.579 -3.625 -9.776
456 HH12 ARG 60 HH12 ARG 60 -1.179 -2.218 -10.568
457 HH21 ARG 60 HH21 ARG 60 -3.251 -1.297 -8.007
458 HH22 ARG 60 HH22 ARG 60 -2.671 -0.931 -9.591
459 H ARG 61 H ARG 61 2.722 -2.398 -4.644
460 HA ARG 61 HA ARG 61 1.871 -1.010 -2.155
461 HB2 ARG 61 HB2 ARG 61 4.207 -0.785 -1.490
462 HB3 ARG 61 HB3 ARG 61 3.788 -2.482 -1.703
463 HG2 ARG 61 HG2 ARG 61 4.954 -2.537 -3.857
464 HG3 ARG 61 HG3 ARG 61 5.310 -0.810 -3.734
465 HD2 ARG 61 HD2 ARG 61 7.255 -2.211 -3.109
466 HD3 ARG 61 HD3 ARG 61 6.707 -1.197 -1.768
467 HE ARG 61 HE ARG 61 5.414 -3.622 -1.473
468 HH11 ARG 61 HH11 ARG 61 8.733 -2.657 -1.547
469 HH12 ARG 61 HH12 ARG 61 9.213 -3.886 -0.437
470 HH21 ARG 61 HH21 ARG 61 6.055 -5.175 -0.071
471 HH22 ARG 61 HH22 ARG 61 7.718 -5.292 0.390
472 H LEU 62 H LEU 62 2.517 1.132 -1.860
473 HA LEU 62 HA LEU 62 2.946 2.740 -4.310
474 HB2 LEU 62 HB2 LEU 62 0.832 3.007 -2.900
475 HB3 LEU 62 HB3 LEU 62 1.836 3.632 -1.610
476 HG LEU 62 HG LEU 62 1.666 4.972 -4.348
477 HD11 LEU 62 HD11 LEU 62 0.019 6.529 -3.409
478 HD12 LEU 62 HD12 LEU 62 -0.029 5.599 -1.908
479 HD13 LEU 62 HD13 LEU 62 -0.592 4.874 -3.418
480 HD21 LEU 62 HD21 LEU 62 2.430 7.001 -3.161
481 HD22 LEU 62 HD22 LEU 62 3.606 5.698 -3.028
482 HD23 LEU 62 HD23 LEU 62 2.563 6.082 -1.656
483 H VAL 63 H VAL 63 5.021 3.420 -4.527
484 HA VAL 63 HA VAL 63 6.699 3.901 -2.129
485 HB VAL 63 HB VAL 63 7.566 3.452 -5.023
486 HG11 VAL 63 HG11 VAL 63 9.186 4.880 -3.850
487 HG12 VAL 63 HG12 VAL 63 9.878 3.284 -4.137
488 HG13 VAL 63 HG13 VAL 63 9.294 3.714 -2.527
489 HG21 VAL 63 HG21 VAL 63 7.726 1.549 -2.649
490 HG22 VAL 63 HG22 VAL 63 8.385 1.244 -4.257
491 HG23 VAL 63 HG23 VAL 63 6.642 1.395 -4.037
492 H LEU 64 H LEU 64 7.320 5.925 -1.642
493 HA LEU 64 HA LEU 64 6.945 8.127 -3.590
494 HB2 LEU 64 HB2 LEU 64 5.324 7.739 -1.376
495 HB3 LEU 64 HB3 LEU 64 6.538 8.800 -0.697
496 HG LEU 64 HG LEU 64 4.644 10.124 -1.443
497 HD11 LEU 64 HD11 LEU 64 6.835 11.172 -1.740
498 HD12 LEU 64 HD12 LEU 64 5.677 11.725 -2.946
499 HD13 LEU 64 HD13 LEU 64 6.919 10.551 -3.392
500 HD21 LEU 64 HD21 LEU 64 5.024 8.913 -4.197
501 HD22 LEU 64 HD22 LEU 64 3.867 10.177 -3.765
502 HD23 LEU 64 HD23 LEU 64 3.705 8.566 -3.075
503 HA PRO 65 HA PRO 65 11.426 8.411 -2.491
504 HB2 PRO 65 HB2 PRO 65 12.021 10.288 -4.459
505 HB3 PRO 65 HB3 PRO 65 11.968 8.540 -4.726
506 HG2 PRO 65 HG2 PRO 65 9.829 10.606 -5.258
507 HG3 PRO 65 HG3 PRO 65 10.369 9.268 -6.296
508 HD2 PRO 65 HD2 PRO 65 8.124 9.065 -4.849
509 HD3 PRO 65 HD3 PRO 65 9.198 7.662 -5.047
510 H ALA 66 H ALA 66 9.575 11.436 -3.244
511 HA ALA 66 HA ALA 66 10.829 12.745 -0.876
512 HB1 ALA 66 HB1 ALA 66 10.541 14.898 -2.041
513 HB2 ALA 66 HB2 ALA 66 9.847 14.064 -3.436
514 HB3 ALA 66 HB3 ALA 66 11.533 13.792 -2.993
515 H THR 67 H THR 67 9.274 12.196 0.630
516 HA THR 67 HA THR 67 6.458 12.131 0.062
517 HB THR 67 HB THR 67 7.746 11.984 2.829
518 HG1 THR 67 HG1 THR 67 8.727 10.309 1.920
519 HG21 THR 67 HG21 THR 67 5.171 10.753 1.748
520 HG22 THR 67 HG22 THR 67 5.259 12.150 2.821
521 HG23 THR 67 HG23 THR 67 5.798 10.571 3.389
522 H GLN 68 H GLN 68 5.812 14.179 -0.544
523 HA GLN 68 HA GLN 68 6.486 16.607 0.832
524 HB2 GLN 68 HB2 GLN 68 4.459 16.025 -1.372
525 HB3 GLN 68 HB3 GLN 68 4.877 17.646 -0.819
526 HG2 GLN 68 HG2 GLN 68 7.194 17.325 -1.557
527 HG3 GLN 68 HG3 GLN 68 6.826 15.677 -2.056
528 HE21 GLN 68 HE21 GLN 68 6.374 19.060 -2.796
529 HE22 GLN 68 HE22 GLN 68 5.804 18.833 -4.408
530 HA PRO 69 HA PRO 69 3.531 16.920 4.146
531 HB2 PRO 69 HB2 PRO 69 2.956 19.722 3.177
532 HB3 PRO 69 HB3 PRO 69 3.384 19.158 4.800
533 HG2 PRO 69 HG2 PRO 69 5.210 20.351 3.279
534 HG3 PRO 69 HG3 PRO 69 5.657 18.942 4.266
535 HD2 PRO 69 HD2 PRO 69 5.152 19.108 1.303
536 HD3 PRO 69 HD3 PRO 69 6.365 18.158 2.188
537 H SER 70 H SER 70 2.313 18.270 1.072
538 HA SER 70 HA SER 70 -0.474 18.099 1.632
539 HB2 SER 70 HB2 SER 70 -0.808 18.431 -0.774
540 HB3 SER 70 HB3 SER 70 0.499 19.479 -0.217
541 HG SER 70 HG SER 70 0.568 17.302 -1.944
542 H ASP 71 H ASP 71 1.840 15.840 0.151
543 HA ASP 71 HA ASP 71 -0.094 13.806 -0.519
544 HB2 ASP 71 HB2 ASP 71 2.098 14.166 -1.757
545 HB3 ASP 71 HB3 ASP 71 2.941 13.516 -0.354
546 H GLY 72 H GLY 72 1.345 14.715 2.412
547 HA2 GLY 72 HA2 GLY 72 1.415 12.125 3.719
548 HA3 GLY 72 HA3 GLY 72 1.627 13.689 4.484
549 H GLY 73 H GLY 73 -0.897 11.648 2.998
550 HA2 GLY 73 HA2 GLY 73 -2.872 12.670 4.979
551 HA3 GLY 73 HA3 GLY 73 -3.267 12.508 3.273
552 H GLU 74 H GLU 74 -4.965 11.093 3.714
553 HA GLU 74 HA GLU 74 -4.462 8.518 5.032
554 HB2 GLU 74 HB2 GLU 74 -7.033 9.669 3.858
555 HB3 GLU 74 HB3 GLU 74 -6.910 8.212 4.846
556 HG2 GLU 74 HG2 GLU 74 -6.177 9.576 6.766
557 HG3 GLU 74 HG3 GLU 74 -6.267 11.034 5.777
558 H PHE 75 H PHE 75 -4.010 6.695 3.863
559 HA PHE 75 HA PHE 75 -4.624 6.632 0.962
560 HB2 PHE 75 HB2 PHE 75 -2.404 5.221 2.499
561 HB3 PHE 75 HB3 PHE 75 -2.757 4.953 0.795
562 HD1 PHE 75 HD2 PHE 75 -1.522 7.467 3.252
563 HD2 PHE 75 HD1 PHE 75 -2.047 6.527 -0.890
564 HE1 PHE 75 HE2 PHE 75 -0.059 9.348 2.634
565 HE2 PHE 75 HE1 PHE 75 -0.585 8.409 -1.493
566 HZ PHE 75 HZ PHE 75 0.413 9.818 0.261
567 H GLN 76 H GLN 76 -6.316 5.420 0.520
568 HA GLN 76 HA GLN 76 -7.138 3.189 2.268
569 HB2 GLN 76 HB2 GLN 76 -8.765 5.035 1.890
570 HB3 GLN 76 HB3 GLN 76 -8.682 4.762 0.155
571 HG2 GLN 76 HG2 GLN 76 -9.626 2.476 0.521
572 HG3 GLN 76 HG3 GLN 76 -9.792 2.855 2.235
573 HE21 GLN 76 HE21 GLN 76 -11.860 2.174 0.273
574 HE22 GLN 76 HE22 GLN 76 -12.971 3.494 0.256
575 H CYS 77 H CYS 77 -5.970 1.443 1.524
576 HA CYS 77 HA CYS 77 -5.814 0.800 -1.330
577 HB2 CYS 77 HB2 CYS 77 -3.809 0.419 0.070
578 HB3 CYS 77 HB3 CYS 77 -4.708 -0.717 1.075
579 HG CYS 77 HG CYS 77 -2.968 -2.125 -0.624
580 H VAL 78 H VAL 78 -7.798 0.160 -2.039
581 HA VAL 78 HA VAL 78 -9.513 -1.618 -0.476
582 HB VAL 78 HB VAL 78 -10.057 -0.504 -3.270
583 HG11 VAL 78 HG11 VAL 78 -11.977 -1.532 -1.131
584 HG12 VAL 78 HG12 VAL 78 -11.524 -2.381 -2.610
585 HG13 VAL 78 HG13 VAL 78 -12.440 -0.876 -2.705
586 HG21 VAL 78 HG21 VAL 78 -9.591 1.387 -1.769
587 HG22 VAL 78 HG22 VAL 78 -10.766 0.785 -0.598
588 HG23 VAL 78 HG23 VAL 78 -11.307 1.343 -2.184
589 H ALA 79 H ALA 79 -9.237 -3.781 -0.638
590 HA ALA 79 HA ALA 79 -7.905 -5.099 -2.824
591 HB1 ALA 79 HB1 ALA 79 -8.474 -7.187 -1.645
592 HB2 ALA 79 HB2 ALA 79 -9.516 -6.283 -0.540
593 HB3 ALA 79 HB3 ALA 79 -7.777 -5.993 -0.551
594 H GLY 80 H GLY 80 -11.252 -4.813 -1.740
595 HA2 GLY 80 HA2 GLY 80 -12.901 -4.723 -3.717
596 HA3 GLY 80 HA3 GLY 80 -12.294 -6.342 -4.057
597 H ASP 81 H ASP 81 -12.124 -7.618 -1.769
598 HA ASP 81 HA ASP 81 -14.790 -7.698 -0.577
599 HB2 ASP 81 HB2 ASP 81 -13.615 -9.816 -1.116
600 HB3 ASP 81 HB3 ASP 81 -12.292 -9.365 -0.048
601 H GLU 82 H GLU 82 -11.419 -7.362 0.640
602 HA GLU 82 HA GLU 82 -12.375 -5.823 2.989
603 HB2 GLU 82 HB2 GLU 82 -9.664 -7.157 2.562
604 HB3 GLU 82 HB3 GLU 82 -10.217 -6.368 4.038
605 HG2 GLU 82 HG2 GLU 82 -12.095 -8.109 4.079
606 HG3 GLU 82 HG3 GLU 82 -11.197 -8.964 2.828
607 H CYS 83 H CYS 83 -10.450 -4.269 3.785
608 HA CYS 83 HA CYS 83 -9.104 -2.784 1.674
609 HB2 CYS 83 HB2 CYS 83 -11.341 -1.743 1.620
610 HB3 CYS 83 HB3 CYS 83 -11.266 -1.438 3.355
611 HG CYS 83 HG CYS 83 -8.603 -0.116 2.004
612 H ALA 84 H ALA 84 -7.155 -2.225 2.435
613 HA ALA 84 HA ALA 84 -6.573 -2.114 5.319
614 HB1 ALA 84 HB1 ALA 84 -5.104 -3.493 3.882
615 HB2 ALA 84 HB2 ALA 84 -4.204 -2.173 4.628
616 HB3 ALA 84 HB3 ALA 84 -4.681 -2.067 2.931
617 H TYR 85 H TYR 85 -6.161 -0.223 6.373
618 HA TYR 85 HA TYR 85 -6.256 2.316 4.846
619 HB2 TYR 85 HB2 TYR 85 -7.025 1.736 7.741
620 HB3 TYR 85 HB3 TYR 85 -7.073 3.333 6.992
621 HD1 TYR 85 HD2 TYR 85 -8.711 3.788 5.125
622 HD2 TYR 85 HD1 TYR 85 -8.820 0.129 7.338
623 HE1 TYR 85 HE2 TYR 85 -10.980 3.348 4.289
624 HE2 TYR 85 HE1 TYR 85 -11.088 -0.311 6.493
625 HH TYR 85 HH TYR 85 -12.481 1.452 3.932
626 H PHE 86 H PHE 86 -4.605 3.666 4.886
627 HA PHE 86 HA PHE 86 -2.367 3.361 6.813
628 HB2 PHE 86 HB2 PHE 86 -2.302 4.307 3.904
629 HB3 PHE 86 HB3 PHE 86 -0.919 4.339 4.989
630 HD1 PHE 86 HD1 PHE 86 -3.423 1.928 3.533
631 HD2 PHE 86 HD2 PHE 86 0.562 2.499 4.986
632 HE1 PHE 86 HE1 PHE 86 -2.838 -0.360 2.842
633 HE2 PHE 86 HE2 PHE 86 1.134 0.209 4.291
634 HZ PHE 86 HZ PHE 86 -0.560 -1.222 3.224
635 H THR 87 H THR 87 -1.590 5.251 7.775
636 HA THR 87 HA THR 87 -2.868 7.848 7.135
637 HB THR 87 HB THR 87 -2.666 6.702 9.964
638 HG1 THR 87 HG1 THR 87 -4.684 6.747 8.063
639 HG21 THR 87 HG21 THR 87 -3.898 8.734 10.672
640 HG22 THR 87 HG22 THR 87 -3.804 9.369 9.028
641 HG23 THR 87 HG23 THR 87 -2.330 9.156 9.977
642 H VAL 88 H VAL 88 -1.155 8.990 6.471
643 HA VAL 88 HA VAL 88 1.478 8.721 7.771
644 HB VAL 88 HB VAL 88 0.739 10.142 5.170
645 HG11 VAL 88 HG11 VAL 88 3.487 9.465 6.295
646 HG12 VAL 88 HG12 VAL 88 2.789 11.081 6.158
647 HG13 VAL 88 HG13 VAL 88 3.175 10.163 4.701
648 HG21 VAL 88 HG21 VAL 88 1.998 7.392 5.550
649 HG22 VAL 88 HG22 VAL 88 1.741 8.201 4.003
650 HG23 VAL 88 HG23 VAL 88 0.356 7.711 4.979
651 H THR 89 H THR 89 2.266 10.280 9.071
652 HA THR 89 HA THR 89 1.140 13.027 9.043
653 HB THR 89 HB THR 89 2.085 11.458 11.489
654 HG1 THR 89 HG1 THR 89 -0.376 11.784 10.316
655 HG21 THR 89 HG21 THR 89 0.960 14.283 11.332
656 HG22 THR 89 HG22 THR 89 2.623 13.856 11.742
657 HG23 THR 89 HG23 THR 89 1.306 13.397 12.821
658 H ILE 90 H ILE 90 2.642 14.337 8.234
659 HA ILE 90 HA ILE 90 5.530 13.770 8.509
660 HB ILE 90 HB ILE 90 4.131 15.782 6.682
661 HG12 ILE 90 HG12 ILE 90 5.139 12.973 6.026
662 HG13 ILE 90 HG13 ILE 90 3.450 13.451 6.139
663 HG21 ILE 90 HG21 ILE 90 6.999 14.753 6.634
664 HG22 ILE 90 HG22 ILE 90 6.481 16.376 7.100
665 HG23 ILE 90 HG23 ILE 90 6.278 15.831 5.435
666 HD11 ILE 90 HD11 ILE 90 3.734 14.907 4.206
667 HD12 ILE 90 HD12 ILE 90 4.172 13.238 3.846
668 HD13 ILE 90 HD13 ILE 90 5.434 14.442 4.101
Start of MODEL 3
1 H HIS 1 H1 HIS 1 -17.540 -15.329 -5.007
2 HA HIS 1 HA HIS 1 -16.739 -18.047 -4.118
3 HB2 HIS 1 HB2 HIS 1 -17.209 -16.920 -6.913
4 HB3 HIS 1 HB3 HIS 1 -16.456 -18.481 -6.596
5 HD1 HIS 1 HD1 HIS 1 -19.673 -17.004 -7.262
6 HD2 HIS 1 HD2 HIS 1 -18.329 -20.295 -5.110
7 HE1 HIS 1 HE1 HIS 1 -21.666 -18.499 -7.011
8 HE2 HIS 1 HE2 HIS 1 -20.817 -20.518 -5.782
9 H MET 2 H MET 2 -14.658 -18.133 -3.569
10 HA MET 2 HA MET 2 -12.499 -17.653 -3.171
11 HB2 MET 2 HB2 MET 2 -12.506 -16.564 -6.021
12 HB3 MET 2 HB3 MET 2 -11.059 -16.890 -5.074
13 HG2 MET 2 HG2 MET 2 -11.621 -19.281 -5.020
14 HG3 MET 2 HG3 MET 2 -13.098 -18.957 -5.929
15 HE1 MET 2 HE1 MET 2 -11.097 -21.165 -6.875
16 HE2 MET 2 HE2 MET 2 -10.910 -20.818 -8.594
17 HE3 MET 2 HE3 MET 2 -12.504 -20.725 -7.844
18 HA PRO 3 HA PRO 3 -13.303 -13.302 -1.830
19 HB2 PRO 3 HB2 PRO 3 -12.205 -13.509 0.661
20 HB3 PRO 3 HB3 PRO 3 -13.812 -14.149 0.285
21 HG2 PRO 3 HG2 PRO 3 -11.172 -15.611 0.408
22 HG3 PRO 3 HG3 PRO 3 -12.730 -16.075 1.127
23 HD2 PRO 3 HD2 PRO 3 -11.843 -17.125 -1.229
24 HD3 PRO 3 HD3 PRO 3 -13.573 -16.866 -0.907
25 H VAL 4 H VAL 4 -11.903 -11.477 -1.365
26 HA VAL 4 HA VAL 4 -9.005 -11.920 -1.806
27 HB VAL 4 HB VAL 4 -9.958 -11.216 -3.936
28 HG11 VAL 4 HG11 VAL 4 -10.974 -8.702 -2.577
29 HG12 VAL 4 HG12 VAL 4 -11.964 -10.011 -3.223
30 HG13 VAL 4 HG13 VAL 4 -11.001 -9.013 -4.315
31 HG21 VAL 4 HG21 VAL 4 -8.498 -9.275 -4.406
32 HG22 VAL 4 HG22 VAL 4 -7.682 -10.497 -3.429
33 HG23 VAL 4 HG23 VAL 4 -8.286 -9.022 -2.672
34 H HIS 5 H HIS 5 -9.156 -11.906 0.505
35 HA HIS 5 HA HIS 5 -9.500 -9.464 2.009
36 HB2 HIS 5 HB2 HIS 5 -7.935 -11.956 2.849
37 HB3 HIS 5 HB3 HIS 5 -8.615 -10.721 3.904
38 HD1 HIS 5 HD1 HIS 5 -11.260 -10.786 4.205
39 HD2 HIS 5 HD2 HIS 5 -9.638 -14.026 2.187
40 HE1 HIS 5 HE1 HIS 5 -12.994 -12.580 4.341
41 HE2 HIS 5 HE2 HIS 5 -11.975 -14.551 3.166
42 H ILE 6 H ILE 6 -7.934 -7.860 2.311
43 HA ILE 6 HA ILE 6 -5.275 -8.171 1.206
44 HB ILE 6 HB ILE 6 -6.305 -5.915 2.992
45 HG12 ILE 6 HG12 ILE 6 -6.168 -6.180 -0.051
46 HG13 ILE 6 HG13 ILE 6 -7.633 -6.080 0.918
47 HG21 ILE 6 HG21 ILE 6 -3.839 -6.054 2.994
48 HG22 ILE 6 HG22 ILE 6 -4.363 -4.641 2.081
49 HG23 ILE 6 HG23 ILE 6 -3.821 -6.086 1.228
50 HD11 ILE 6 HD11 ILE 6 -7.207 -4.017 -0.235
51 HD12 ILE 6 HD12 ILE 6 -5.608 -3.892 0.494
52 HD13 ILE 6 HD13 ILE 6 -7.052 -3.769 1.503
53 H VAL 7 H VAL 7 -4.120 -9.709 2.171
54 HA VAL 7 HA VAL 7 -4.346 -10.470 4.903
55 HB VAL 7 HB VAL 7 -2.535 -12.096 4.414
56 HG11 VAL 7 HG11 VAL 7 -4.661 -11.931 2.236
57 HG12 VAL 7 HG12 VAL 7 -4.852 -12.672 3.827
58 HG13 VAL 7 HG13 VAL 7 -3.736 -13.377 2.658
59 HG21 VAL 7 HG21 VAL 7 -2.345 -10.727 1.688
60 HG22 VAL 7 HG22 VAL 7 -1.547 -12.242 2.121
61 HG23 VAL 7 HG23 VAL 7 -1.093 -10.744 2.934
62 H ASP 8 H ASP 8 -2.252 -8.203 3.295
63 HA ASP 8 HA ASP 8 -1.124 -7.380 5.845
64 HB2 ASP 8 HB2 ASP 8 0.484 -9.110 5.039
65 HB3 ASP 8 HB3 ASP 8 0.718 -8.199 3.548
66 HA PRO 9 HA PRO 9 -1.300 -5.760 6.828
67 HB2 PRO 9 HB2 PRO 9 -2.233 -3.360 7.584
68 HB3 PRO 9 HB3 PRO 9 -0.550 -3.555 7.067
69 HG2 PRO 9 HG2 PRO 9 -2.895 -2.474 5.519
70 HG3 PRO 9 HG3 PRO 9 -1.229 -1.862 5.600
71 HD2 PRO 9 HD2 PRO 9 -2.231 -3.495 3.553
72 HD3 PRO 9 HD3 PRO 9 -0.509 -3.296 3.935
73 H ARG 10 H ARG 10 -3.032 -5.960 8.307
74 HA ARG 10 HA ARG 10 -5.744 -6.300 7.209
75 HB2 ARG 10 HB2 ARG 10 -4.633 -6.950 9.979
76 HB3 ARG 10 HB3 ARG 10 -6.216 -7.423 9.374
77 HG2 ARG 10 HG2 ARG 10 -3.561 -8.378 8.242
78 HG3 ARG 10 HG3 ARG 10 -4.566 -9.279 9.378
79 HD2 ARG 10 HD2 ARG 10 -5.354 -8.452 6.567
80 HD3 ARG 10 HD3 ARG 10 -4.893 -10.075 7.079
81 HE ARG 10 HE ARG 10 -6.937 -9.800 8.651
82 HH11 ARG 10 HH11 ARG 10 -6.784 -8.569 5.417
83 HH12 ARG 10 HH12 ARG 10 -8.486 -8.739 5.174
84 HH21 ARG 10 HH21 ARG 10 -9.118 -9.982 8.296
85 HH22 ARG 10 HH22 ARG 10 -9.777 -9.507 6.767
86 H GLU 11 H GLU 11 -4.007 -3.816 8.655
87 HA GLU 11 HA GLU 11 -6.314 -2.538 9.962
88 HB2 GLU 11 HB2 GLU 11 -5.052 -2.215 12.067
89 HB3 GLU 11 HB3 GLU 11 -5.233 -3.930 11.712
90 HG2 GLU 11 HG2 GLU 11 -2.924 -4.042 10.902
91 HG3 GLU 11 HG3 GLU 11 -2.721 -2.308 11.150
92 H HIS 12 H HIS 12 -5.074 -0.443 11.205
93 HA HIS 12 HA HIS 12 -4.164 1.283 9.048
94 HB2 HIS 12 HB2 HIS 12 -4.461 1.982 12.008
95 HB3 HIS 12 HB3 HIS 12 -4.412 3.101 10.645
96 HD1 HIS 12 HD1 HIS 12 -6.674 0.589 12.325
97 HD2 HIS 12 HD2 HIS 12 -6.863 3.548 9.422
98 HE1 HIS 12 HE1 HIS 12 -9.118 0.870 11.815
99 HE2 HIS 12 HE2 HIS 12 -9.203 2.679 10.064
100 H VAL 13 H VAL 13 -2.002 1.213 8.507
101 HA VAL 13 HA VAL 13 0.088 0.685 10.484
102 HB VAL 13 HB VAL 13 0.330 1.366 7.512
103 HG11 VAL 13 HG11 VAL 13 2.660 0.510 7.690
104 HG12 VAL 13 HG12 VAL 13 2.458 0.334 9.434
105 HG13 VAL 13 HG13 VAL 13 2.409 1.938 8.699
106 HG21 VAL 13 HG21 VAL 13 -0.848 -0.768 7.873
107 HG22 VAL 13 HG22 VAL 13 0.464 -1.337 8.907
108 HG23 VAL 13 HG23 VAL 13 0.756 -1.054 7.190
109 H PHE 14 H PHE 14 0.686 2.322 11.804
110 HA PHE 14 HA PHE 14 0.234 5.103 11.169
111 HB2 PHE 14 HB2 PHE 14 1.550 3.805 13.594
112 HB3 PHE 14 HB3 PHE 14 1.155 5.516 13.463
113 HD1 PHE 14 HD1 PHE 14 -0.248 2.117 13.871
114 HD2 PHE 14 HD2 PHE 14 -1.173 6.290 13.651
115 HE1 PHE 14 HE1 PHE 14 -2.514 1.664 14.721
116 HE2 PHE 14 HE2 PHE 14 -3.431 5.827 14.508
117 HZ PHE 14 HZ PHE 14 -4.107 3.519 15.043
118 H VAL 15 H VAL 15 1.568 6.130 9.869
119 HA VAL 15 HA VAL 15 4.499 5.736 9.924
120 HB VAL 15 HB VAL 15 2.717 6.605 7.589
121 HG11 VAL 15 HG11 VAL 15 4.761 6.517 6.190
122 HG12 VAL 15 HG12 VAL 15 5.731 6.172 7.623
123 HG13 VAL 15 HG13 VAL 15 4.911 7.727 7.467
124 HG21 VAL 15 HG21 VAL 15 3.349 4.456 6.534
125 HG22 VAL 15 HG22 VAL 15 2.509 4.191 8.062
126 HG23 VAL 15 HG23 VAL 15 4.263 4.010 7.978
127 H HIS 16 H HIS 16 5.758 7.569 10.218
128 HA HIS 16 HA HIS 16 4.504 10.263 10.123
129 HB2 HIS 16 HB2 HIS 16 6.430 9.242 12.265
130 HB3 HIS 16 HB3 HIS 16 5.899 10.916 12.107
131 HD1 HIS 16 HD1 HIS 16 4.774 7.560 13.302
132 HD2 HIS 16 HD2 HIS 16 3.248 11.403 12.937
133 HE1 HIS 16 HE1 HIS 16 2.650 7.560 14.625
134 HE2 HIS 16 HE2 HIS 16 1.818 9.927 14.503
135 H ALA 17 H ALA 17 5.555 11.560 8.731
136 HA ALA 17 HA ALA 17 8.424 11.144 8.119
137 HB1 ALA 17 HB1 ALA 17 7.087 9.949 6.416
138 HB2 ALA 17 HB2 ALA 17 7.945 11.315 5.707
139 HB3 ALA 17 HB3 ALA 17 6.215 11.438 6.042
140 H ILE 18 H ILE 18 9.506 12.959 7.305
141 HA ILE 18 HA ILE 18 8.334 15.627 7.637
142 HB ILE 18 HB ILE 18 11.168 14.733 6.911
143 HG12 ILE 18 HG12 ILE 18 10.573 14.048 9.197
144 HG13 ILE 18 HG13 ILE 18 11.770 15.336 9.251
145 HG21 ILE 18 HG21 ILE 18 10.817 17.000 6.054
146 HG22 ILE 18 HG22 ILE 18 11.929 17.032 7.422
147 HG23 ILE 18 HG23 ILE 18 10.253 17.542 7.637
148 HD11 ILE 18 HD11 ILE 18 8.810 15.612 9.773
149 HD12 ILE 18 HD12 ILE 18 9.967 16.948 9.772
150 HD13 ILE 18 HD13 ILE 18 10.109 15.656 10.964
151 H THR 19 H THR 19 8.633 17.221 5.818
152 HA THR 19 HA THR 19 7.443 16.418 3.398
153 HB THR 19 HB THR 19 7.838 18.763 2.636
154 HG1 THR 19 HG1 THR 19 9.528 19.741 3.415
155 HG21 THR 19 HG21 THR 19 6.604 19.914 4.435
156 HG22 THR 19 HG22 THR 19 6.958 18.589 5.546
157 HG23 THR 19 HG23 THR 19 5.927 18.310 4.141
158 H SER 20 H SER 20 10.501 15.485 4.012
159 HA SER 20 HA SER 20 11.309 15.485 1.174
160 HB2 SER 20 HB2 SER 20 13.152 16.305 3.473
161 HB3 SER 20 HB3 SER 20 13.663 16.060 1.801
162 HG SER 20 HG SER 20 11.645 17.737 1.688
163 H GLU 21 H GLU 21 10.332 13.450 3.351
164 HA GLU 21 HA GLU 21 12.619 11.608 3.586
165 HB2 GLU 21 HB2 GLU 21 9.806 11.570 4.743
166 HB3 GLU 21 HB3 GLU 21 10.929 10.229 4.952
167 HG2 GLU 21 HG2 GLU 21 11.493 13.070 5.853
168 HG3 GLU 21 HG3 GLU 21 10.799 11.825 6.889
169 H CYS 22 H CYS 22 12.307 9.268 3.182
170 HA CYS 22 HA CYS 22 10.708 8.687 0.749
171 HB2 CYS 22 HB2 CYS 22 12.336 6.852 0.320
172 HB3 CYS 22 HB3 CYS 22 13.116 8.429 0.377
173 HG CYS 22 HG CYS 22 13.123 6.812 3.311
174 H VAL 23 H VAL 23 8.909 7.521 1.116
175 HA VAL 23 HA VAL 23 8.785 5.581 3.373
176 HB VAL 23 HB VAL 23 6.651 7.579 2.477
177 HG11 VAL 23 HG11 VAL 23 5.155 6.601 4.216
178 HG12 VAL 23 HG12 VAL 23 6.324 5.308 4.487
179 HG13 VAL 23 HG13 VAL 23 5.508 5.446 2.928
180 HG21 VAL 23 HG21 VAL 23 8.052 7.203 5.161
181 HG22 VAL 23 HG22 VAL 23 6.790 8.391 4.826
182 HG23 VAL 23 HG23 VAL 23 8.350 8.508 4.009
183 H MET 24 H MET 24 8.358 3.552 2.746
184 HA MET 24 HA MET 24 7.016 2.994 0.157
185 HB2 MET 24 HB2 MET 24 8.720 1.141 1.879
186 HB3 MET 24 HB3 MET 24 8.035 0.746 0.308
187 HG2 MET 24 HG2 MET 24 9.454 2.487 -0.727
188 HG3 MET 24 HG3 MET 24 10.154 2.840 0.852
189 HE1 MET 24 HE1 MET 24 9.187 -0.734 -0.622
190 HE2 MET 24 HE2 MET 24 10.725 -1.206 -1.345
191 HE3 MET 24 HE3 MET 24 9.811 0.143 -2.020
192 H LEU 25 H LEU 25 4.843 3.039 0.683
193 HA LEU 25 HA LEU 25 3.693 1.495 2.873
194 HB2 LEU 25 HB2 LEU 25 2.315 2.819 0.495
195 HB3 LEU 25 HB3 LEU 25 1.532 2.241 1.962
196 HG LEU 25 HG LEU 25 3.467 4.590 1.779
197 HD11 LEU 25 HD11 LEU 25 0.474 4.571 2.289
198 HD12 LEU 25 HD12 LEU 25 1.273 5.084 0.800
199 HD13 LEU 25 HD13 LEU 25 1.528 5.990 2.288
200 HD21 LEU 25 HD21 LEU 25 3.710 3.450 3.944
201 HD22 LEU 25 HD22 LEU 25 1.968 3.555 4.214
202 HD23 LEU 25 HD23 LEU 25 2.943 5.024 4.142
203 H ALA 26 H ALA 26 2.939 -0.640 2.695
204 HA ALA 26 HA ALA 26 3.094 -1.948 0.020
205 HB1 ALA 26 HB1 ALA 26 4.199 -3.874 1.052
206 HB2 ALA 26 HB2 ALA 26 4.152 -3.087 2.633
207 HB3 ALA 26 HB3 ALA 26 5.129 -2.401 1.334
208 H CYS 27 H CYS 27 1.277 -2.909 -0.546
209 HA CYS 27 HA CYS 27 -0.575 -4.110 1.444
210 HB2 CYS 27 HB2 CYS 27 -1.637 -2.135 0.508
211 HB3 CYS 27 HB3 CYS 27 -1.230 -2.626 -1.135
212 HG CYS 27 HG CYS 27 -2.947 -4.801 -1.174
213 H GLU 28 H GLU 28 -1.252 -6.204 1.031
214 HA GLU 28 HA GLU 28 -0.937 -7.421 -1.606
215 HB2 GLU 28 HB2 GLU 28 1.251 -7.826 -0.472
216 HB3 GLU 28 HB3 GLU 28 0.415 -8.643 0.846
217 HG2 GLU 28 HG2 GLU 28 -0.374 -10.382 -0.712
218 HG3 GLU 28 HG3 GLU 28 0.405 -9.545 -2.054
219 H VAL 29 H VAL 29 -2.255 -9.191 -1.961
220 HA VAL 29 HA VAL 29 -4.363 -9.762 0.058
221 HB VAL 29 HB VAL 29 -5.826 -10.315 -1.932
222 HG11 VAL 29 HG11 VAL 29 -4.716 -7.483 -1.851
223 HG12 VAL 29 HG12 VAL 29 -6.015 -8.129 -0.845
224 HG13 VAL 29 HG13 VAL 29 -6.252 -7.956 -2.583
225 HG21 VAL 29 HG21 VAL 29 -4.056 -10.802 -3.598
226 HG22 VAL 29 HG22 VAL 29 -3.548 -9.113 -3.574
227 HG23 VAL 29 HG23 VAL 29 -5.143 -9.547 -4.197
228 H ASP 30 H ASP 30 -5.454 -11.946 -0.259
229 HA ASP 30 HA ASP 30 -3.512 -14.088 -0.581
230 HB2 ASP 30 HB2 ASP 30 -5.288 -15.590 0.150
231 HB3 ASP 30 HB3 ASP 30 -5.226 -14.196 1.212
232 H ARG 31 H ARG 31 -6.327 -12.830 -2.363
233 HA ARG 31 HA ARG 31 -6.132 -14.902 -4.434
234 HB2 ARG 31 HB2 ARG 31 -8.378 -14.241 -3.648
235 HB3 ARG 31 HB3 ARG 31 -8.074 -12.571 -4.117
236 HG2 ARG 31 HG2 ARG 31 -7.916 -13.294 -6.503
237 HG3 ARG 31 HG3 ARG 31 -8.282 -14.948 -6.005
238 HD2 ARG 31 HD2 ARG 31 -10.492 -14.222 -5.180
239 HD3 ARG 31 HD3 ARG 31 -10.119 -12.552 -5.632
240 HE ARG 31 HE ARG 31 -9.786 -13.999 -7.948
241 HH11 ARG 31 HH11 ARG 31 -12.455 -13.505 -5.805
242 HH12 ARG 31 HH12 ARG 31 -13.623 -13.713 -7.056
243 HH21 ARG 31 HH21 ARG 31 -11.288 -14.245 -9.534
244 HH22 ARG 31 HH22 ARG 31 -12.973 -14.100 -9.145
245 H GLU 32 H GLU 32 -4.274 -14.492 -5.554
246 HA GLU 32 HA GLU 32 -3.248 -11.986 -6.352
247 HB2 GLU 32 HB2 GLU 32 -1.928 -13.471 -8.085
248 HB3 GLU 32 HB3 GLU 32 -1.620 -13.647 -6.371
249 HG2 GLU 32 HG2 GLU 32 -1.653 -15.818 -7.449
250 HG3 GLU 32 HG3 GLU 32 -2.980 -15.689 -6.300
251 H ASP 33 H ASP 33 -5.711 -13.940 -7.807
252 HA ASP 33 HA ASP 33 -5.846 -12.960 -10.424
253 HB2 ASP 33 HB2 ASP 33 -7.069 -14.940 -9.588
254 HB3 ASP 33 HB3 ASP 33 -8.068 -13.913 -8.566
255 H ALA 34 H ALA 34 -6.933 -11.495 -7.402
256 HA ALA 34 HA ALA 34 -8.066 -9.163 -8.855
257 HB1 ALA 34 HB1 ALA 34 -9.767 -10.410 -7.588
258 HB2 ALA 34 HB2 ALA 34 -9.523 -8.798 -6.914
259 HB3 ALA 34 HB3 ALA 34 -8.829 -10.209 -6.107
260 HA PRO 35 HA PRO 35 -4.447 -7.182 -6.699
261 HB2 PRO 35 HB2 PRO 35 -4.853 -5.152 -8.855
262 HB3 PRO 35 HB3 PRO 35 -3.383 -6.022 -8.397
263 HG2 PRO 35 HG2 PRO 35 -4.679 -6.595 -10.678
264 HG3 PRO 35 HG3 PRO 35 -3.915 -7.878 -9.713
265 HD2 PRO 35 HD2 PRO 35 -6.834 -7.079 -9.823
266 HD3 PRO 35 HD3 PRO 35 -6.107 -8.704 -9.880
267 H VAL 36 H VAL 36 -4.221 -4.746 -6.036
268 HA VAL 36 HA VAL 36 -6.863 -3.733 -5.117
269 HB VAL 36 HB VAL 36 -5.883 -2.849 -3.152
270 HG11 VAL 36 HG11 VAL 36 -4.393 -5.453 -3.657
271 HG12 VAL 36 HG12 VAL 36 -6.047 -5.300 -3.052
272 HG13 VAL 36 HG13 VAL 36 -4.697 -4.725 -2.073
273 HG21 VAL 36 HG21 VAL 36 -3.426 -2.677 -2.705
274 HG22 VAL 36 HG22 VAL 36 -3.934 -1.687 -4.072
275 HG23 VAL 36 HG23 VAL 36 -3.108 -3.218 -4.357
276 H ARG 37 H ARG 37 -7.273 -1.467 -5.186
277 HA ARG 37 HA ARG 37 -5.538 0.223 -6.875
278 HB2 ARG 37 HB2 ARG 37 -8.221 0.893 -5.584
279 HB3 ARG 37 HB3 ARG 37 -7.339 1.901 -6.730
280 HG2 ARG 37 HG2 ARG 37 -7.701 0.176 -8.488
281 HG3 ARG 37 HG3 ARG 37 -8.624 -0.790 -7.326
282 HD2 ARG 37 HD2 ARG 37 -10.206 1.130 -7.052
283 HD3 ARG 37 HD3 ARG 37 -9.316 2.009 -8.304
284 HE ARG 37 HE ARG 37 -10.257 -0.575 -9.152
285 HH11 ARG 37 HH11 ARG 37 -11.115 2.767 -8.888
286 HH12 ARG 37 HH12 ARG 37 -12.393 2.631 -10.044
287 HH21 ARG 37 HH21 ARG 37 -11.888 -0.713 -10.631
288 HH22 ARG 37 HH22 ARG 37 -12.827 0.688 -11.009
289 H TRP 38 H TRP 38 -4.765 2.274 -6.036
290 HA TRP 38 HA TRP 38 -4.541 2.452 -3.083
291 HB2 TRP 38 HB2 TRP 38 -2.777 3.531 -5.320
292 HB3 TRP 38 HB3 TRP 38 -2.641 4.116 -3.665
293 HD1 TRP 38 HD1 TRP 38 -1.897 0.990 -5.790
294 HE1 TRP 38 HE1 TRP 38 -0.370 -0.564 -4.421
295 HE3 TRP 38 HE3 TRP 38 -2.034 3.443 -1.297
296 HZ2 TRP 38 HZ2 TRP 38 0.634 -0.739 -1.793
297 HZ3 TRP 38 HZ3 TRP 38 -0.758 2.514 0.594
298 HH2 TRP 38 HH2 TRP 38 0.552 0.461 0.347
299 H TYR 39 H TYR 39 -5.659 3.997 -2.072
300 HA TYR 39 HA TYR 39 -6.633 6.405 -3.525
301 HB2 TYR 39 HB2 TYR 39 -7.952 4.835 -1.261
302 HB3 TYR 39 HB3 TYR 39 -8.488 6.435 -1.750
303 HD1 TYR 39 HD1 TYR 39 -8.005 2.959 -3.078
304 HD2 TYR 39 HD2 TYR 39 -10.101 6.663 -3.482
305 HE1 TYR 39 HE1 TYR 39 -9.485 1.944 -4.752
306 HE2 TYR 39 HE2 TYR 39 -11.577 5.641 -5.155
307 HH TYR 39 HH TYR 39 -11.473 3.729 -6.772
308 H LYS 40 H LYS 40 -7.200 8.206 -1.816
309 HA LYS 40 HA LYS 40 -5.321 8.245 0.470
310 HB2 LYS 40 HB2 LYS 40 -4.303 9.560 -1.387
311 HB3 LYS 40 HB3 LYS 40 -5.758 10.549 -1.479
312 HG2 LYS 40 HG2 LYS 40 -5.324 11.302 0.883
313 HG3 LYS 40 HG3 LYS 40 -3.794 10.426 0.842
314 HD2 LYS 40 HD2 LYS 40 -4.486 12.611 -1.162
315 HD3 LYS 40 HD3 LYS 40 -3.728 12.961 0.388
316 HE2 LYS 40 HE2 LYS 40 -2.008 12.891 -1.272
317 HE3 LYS 40 HE3 LYS 40 -1.824 11.458 -0.273
318 HZ1 LYS 40 HZ1 LYS 40 -3.099 11.531 -2.950
319 HZ2 LYS 40 HZ2 LYS 40 -2.813 10.150 -2.020
320 HZ3 LYS 40 HZ3 LYS 40 -1.510 11.040 -2.635
321 H ASP 41 H ASP 41 -7.337 10.943 -0.504
322 HA ASP 41 HA ASP 41 -8.835 10.923 1.983
323 HB2 ASP 41 HB2 ASP 41 -9.784 13.110 0.952
324 HB3 ASP 41 HB3 ASP 41 -8.056 13.080 1.291
325 H GLY 42 H GLY 42 -9.386 10.296 -1.392
326 HA2 GLY 42 HA2 GLY 42 -11.696 8.713 -1.165
327 HA3 GLY 42 HA3 GLY 42 -12.207 10.359 -1.548
328 H GLN 43 H GLN 43 -9.824 10.998 -3.037
329 HA GLN 43 HA GLN 43 -10.283 9.845 -5.634
330 HB2 GLN 43 HB2 GLN 43 -8.344 11.224 -6.344
331 HB3 GLN 43 HB3 GLN 43 -9.494 12.169 -5.405
332 HG2 GLN 43 HG2 GLN 43 -8.067 12.089 -3.447
333 HG3 GLN 43 HG3 GLN 43 -6.959 10.971 -4.240
334 HE21 GLN 43 HE21 GLN 43 -6.481 13.648 -3.071
335 HE22 GLN 43 HE22 GLN 43 -5.769 14.582 -4.340
336 H GLU 44 H GLU 44 -9.005 8.359 -6.762
337 HA GLU 44 HA GLU 44 -7.021 6.806 -5.254
338 HB2 GLU 44 HB2 GLU 44 -7.075 5.242 -7.217
339 HB3 GLU 44 HB3 GLU 44 -8.625 5.447 -6.412
340 HG2 GLU 44 HG2 GLU 44 -9.260 7.074 -8.223
341 HG3 GLU 44 HG3 GLU 44 -7.769 6.645 -9.056
342 H VAL 45 H VAL 45 -4.929 6.410 -6.098
343 HA VAL 45 HA VAL 45 -3.709 8.915 -6.954
344 HB VAL 45 HB VAL 45 -2.375 6.417 -5.796
345 HG11 VAL 45 HG11 VAL 45 -0.442 7.894 -5.313
346 HG12 VAL 45 HG12 VAL 45 -1.260 9.240 -6.108
347 HG13 VAL 45 HG13 VAL 45 -0.778 7.825 -7.046
348 HG21 VAL 45 HG21 VAL 45 -3.978 7.363 -4.170
349 HG22 VAL 45 HG22 VAL 45 -3.225 8.951 -4.327
350 HG23 VAL 45 HG23 VAL 45 -2.316 7.610 -3.626
351 H GLU 46 H GLU 46 -3.632 9.052 -9.171
352 HA GLU 46 HA GLU 46 -2.496 6.847 -10.770
353 HB2 GLU 46 HB2 GLU 46 -4.504 8.142 -11.631
354 HB3 GLU 46 HB3 GLU 46 -3.492 9.580 -11.699
355 HG2 GLU 46 HG2 GLU 46 -1.958 8.049 -13.245
356 HG3 GLU 46 HG3 GLU 46 -3.445 7.125 -13.450
357 H GLU 47 H GLU 47 -0.574 7.252 -9.273
358 HA GLU 47 HA GLU 47 1.464 8.053 -8.690
359 HB2 GLU 47 HB2 GLU 47 1.775 8.519 -11.685
360 HB3 GLU 47 HB3 GLU 47 3.064 8.262 -10.522
361 HG2 GLU 47 HG2 GLU 47 2.942 6.189 -11.537
362 HG3 GLU 47 HG3 GLU 47 1.930 5.938 -10.118
363 H SER 48 H SER 48 1.200 9.971 -7.464
364 HA SER 48 HA SER 48 0.741 12.545 -8.707
365 HB2 SER 48 HB2 SER 48 1.611 12.015 -5.836
366 HB3 SER 48 HB3 SER 48 0.870 13.480 -6.469
367 HG SER 48 HG SER 48 -0.438 11.727 -5.313
368 H ASP 49 H ASP 49 2.590 12.318 -10.180
369 HA ASP 49 HA ASP 49 4.630 12.640 -11.051
370 HB2 ASP 49 HB2 ASP 49 4.005 14.963 -10.331
371 HB3 ASP 49 HB3 ASP 49 4.944 14.723 -8.859
372 H PHE 50 H PHE 50 5.535 13.122 -7.621
373 HA PHE 50 HA PHE 50 7.979 11.677 -7.750
374 HB2 PHE 50 HB2 PHE 50 6.276 12.595 -5.394
375 HB3 PHE 50 HB3 PHE 50 7.859 11.848 -5.201
376 HD1 PHE 50 HD2 PHE 50 6.273 14.710 -7.094
377 HD2 PHE 50 HD1 PHE 50 9.696 13.284 -4.965
378 HE1 PHE 50 HE2 PHE 50 7.352 16.906 -7.346
379 HE2 PHE 50 HE1 PHE 50 10.762 15.483 -5.222
380 HZ PHE 50 HZ PHE 50 9.595 17.296 -6.411
381 H VAL 51 H VAL 51 4.676 10.737 -6.806
382 HA VAL 51 HA VAL 51 5.254 8.303 -5.503
383 HB VAL 51 HB VAL 51 2.719 8.989 -7.058
384 HG11 VAL 51 HG11 VAL 51 1.587 7.353 -5.569
385 HG12 VAL 51 HG12 VAL 51 3.143 6.933 -4.849
386 HG13 VAL 51 HG13 VAL 51 2.835 6.584 -6.552
387 HG21 VAL 51 HG21 VAL 51 3.341 9.467 -4.123
388 HG22 VAL 51 HG22 VAL 51 1.793 9.771 -4.911
389 HG23 VAL 51 HG23 VAL 51 3.216 10.708 -5.370
390 H VAL 52 H VAL 52 6.057 6.446 -6.295
391 HA VAL 52 HA VAL 52 5.449 5.611 -9.074
392 HB VAL 52 HB VAL 52 7.540 4.227 -9.007
393 HG11 VAL 52 HG11 VAL 52 7.988 7.205 -8.550
394 HG12 VAL 52 HG12 VAL 52 7.566 6.441 -10.084
395 HG13 VAL 52 HG13 VAL 52 9.126 6.102 -9.333
396 HG21 VAL 52 HG21 VAL 52 9.277 4.662 -7.277
397 HG22 VAL 52 HG22 VAL 52 7.824 3.956 -6.567
398 HG23 VAL 52 HG23 VAL 52 8.139 5.684 -6.392
399 H LEU 53 H LEU 53 4.320 3.774 -9.342
400 HA LEU 53 HA LEU 53 3.591 2.154 -6.963
401 HB2 LEU 53 HB2 LEU 53 2.150 2.487 -9.629
402 HB3 LEU 53 HB3 LEU 53 1.594 1.474 -8.303
403 HG LEU 53 HG LEU 53 1.839 4.516 -8.225
404 HD11 LEU 53 HD11 LEU 53 -0.035 3.773 -9.621
405 HD12 LEU 53 HD12 LEU 53 -0.610 4.538 -8.143
406 HD13 LEU 53 HD13 LEU 53 -0.651 2.778 -8.298
407 HD21 LEU 53 HD21 LEU 53 0.803 2.614 -6.091
408 HD22 LEU 53 HD22 LEU 53 0.727 4.378 -6.026
409 HD23 LEU 53 HD23 LEU 53 2.289 3.565 -6.014
410 H GLU 54 H GLU 54 4.562 0.210 -6.808
411 HA GLU 54 HA GLU 54 5.515 -1.208 -9.234
412 HB2 GLU 54 HB2 GLU 54 6.346 -1.533 -6.316
413 HB3 GLU 54 HB3 GLU 54 6.995 -2.469 -7.661
414 HG2 GLU 54 HG2 GLU 54 7.895 -0.377 -8.661
415 HG3 GLU 54 HG3 GLU 54 7.276 0.535 -7.281
416 H ASN 55 H ASN 55 4.834 -3.251 -9.720
417 HA ASN 55 HA ASN 55 2.951 -4.662 -7.928
418 HB2 ASN 55 HB2 ASN 55 1.571 -3.413 -9.517
419 HB3 ASN 55 HB3 ASN 55 2.501 -4.027 -10.878
420 HD21 ASN 55 HD21 ASN 55 1.335 -5.954 -8.107
421 HD22 ASN 55 HD22 ASN 55 0.263 -6.930 -9.040
422 H GLU 56 H GLU 56 3.491 -6.739 -7.674
423 HA GLU 56 HA GLU 56 4.570 -8.320 -9.910
424 HB2 GLU 56 HB2 GLU 56 6.528 -7.629 -8.511
425 HB3 GLU 56 HB3 GLU 56 5.768 -8.326 -7.090
426 HG2 GLU 56 HG2 GLU 56 7.508 -9.798 -7.953
427 HG3 GLU 56 HG3 GLU 56 5.927 -10.568 -8.077
428 H GLY 57 H GLY 57 2.491 -9.224 -10.098
429 HA2 GLY 57 HA2 GLY 57 0.786 -10.711 -9.717
430 HA3 GLY 57 HA3 GLY 57 1.800 -11.460 -8.498
431 HA PRO 58 HA PRO 58 -1.366 -9.713 -5.720
432 HB2 PRO 58 HB2 PRO 58 -0.261 -10.964 -3.397
433 HB3 PRO 58 HB3 PRO 58 -1.594 -11.550 -4.388
434 HG2 PRO 58 HG2 PRO 58 1.005 -12.699 -4.159
435 HG3 PRO 58 HG3 PRO 58 -0.292 -13.192 -5.258
436 HD2 PRO 58 HD2 PRO 58 2.139 -11.590 -5.818
437 HD3 PRO 58 HD3 PRO 58 1.122 -12.528 -6.932
438 H HIS 59 H HIS 59 2.057 -9.246 -5.590
439 HA HIS 59 HA HIS 59 2.228 -7.495 -3.315
440 HB2 HIS 59 HB2 HIS 59 4.156 -7.881 -5.653
441 HB3 HIS 59 HB3 HIS 59 4.526 -6.995 -4.180
442 HD1 HIS 59 HD1 HIS 59 5.916 -8.326 -2.641
443 HD2 HIS 59 HD2 HIS 59 3.418 -10.767 -4.882
444 HE1 HIS 59 HE1 HIS 59 6.512 -10.671 -1.982
445 HE2 HIS 59 HE2 HIS 59 4.953 -12.131 -3.311
446 H ARG 60 H ARG 60 1.379 -5.492 -3.287
447 HA ARG 60 HA ARG 60 1.544 -3.692 -5.649
448 HB2 ARG 60 HB2 ARG 60 -0.876 -4.328 -3.912
449 HB3 ARG 60 HB3 ARG 60 -0.760 -2.779 -4.733
450 HG2 ARG 60 HG2 ARG 60 -0.625 -5.426 -6.211
451 HG3 ARG 60 HG3 ARG 60 -2.141 -4.575 -5.886
452 HD2 ARG 60 HD2 ARG 60 -1.216 -2.576 -7.093
453 HD3 ARG 60 HD3 ARG 60 0.212 -3.533 -7.508
454 HE ARG 60 HE ARG 60 -1.712 -5.084 -8.488
455 HH11 ARG 60 HH11 ARG 60 -1.358 -1.646 -8.824
456 HH12 ARG 60 HH12 ARG 60 -2.100 -1.623 -10.381
457 HH21 ARG 60 HH21 ARG 60 -2.634 -4.998 -10.515
458 HH22 ARG 60 HH22 ARG 60 -2.820 -3.476 -11.309
459 H ARG 61 H ARG 61 3.062 -2.185 -4.912
460 HA ARG 61 HA ARG 61 2.606 -1.025 -2.214
461 HB2 ARG 61 HB2 ARG 61 5.010 -0.922 -1.782
462 HB3 ARG 61 HB3 ARG 61 4.475 -2.577 -2.044
463 HG2 ARG 61 HG2 ARG 61 5.411 -2.509 -4.339
464 HG3 ARG 61 HG3 ARG 61 5.961 -0.854 -4.053
465 HD2 ARG 61 HD2 ARG 61 7.342 -1.711 -2.131
466 HD3 ARG 61 HD3 ARG 61 6.881 -3.356 -2.592
467 HE ARG 61 HE ARG 61 8.115 -1.786 -4.695
468 HH11 ARG 61 HH11 ARG 61 8.712 -4.041 -2.131
469 HH12 ARG 61 HH12 ARG 61 10.261 -4.486 -2.750
470 HH21 ARG 61 HH21 ARG 61 10.105 -2.337 -5.433
471 HH22 ARG 61 HH22 ARG 61 11.046 -3.522 -4.593
472 H LEU 62 H LEU 62 2.646 1.077 -1.981
473 HA LEU 62 HA LEU 62 3.178 2.878 -4.243
474 HB2 LEU 62 HB2 LEU 62 0.992 2.991 -3.120
475 HB3 LEU 62 HB3 LEU 62 1.755 3.291 -1.577
476 HG LEU 62 HG LEU 62 2.261 5.308 -3.769
477 HD11 LEU 62 HD11 LEU 62 -0.160 4.919 -4.014
478 HD12 LEU 62 HD12 LEU 62 0.165 6.515 -3.343
479 HD13 LEU 62 HD13 LEU 62 -0.392 5.213 -2.288
480 HD21 LEU 62 HD21 LEU 62 1.698 5.624 -0.802
481 HD22 LEU 62 HD22 LEU 62 2.173 6.910 -1.918
482 HD23 LEU 62 HD23 LEU 62 3.297 5.603 -1.553
483 H VAL 63 H VAL 63 5.255 3.527 -4.328
484 HA VAL 63 HA VAL 63 6.790 3.956 -1.836
485 HB VAL 63 HB VAL 63 7.809 3.455 -4.668
486 HG11 VAL 63 HG11 VAL 63 9.421 4.813 -3.411
487 HG12 VAL 63 HG12 VAL 63 10.049 3.179 -3.629
488 HG13 VAL 63 HG13 VAL 63 9.381 3.663 -2.069
489 HG21 VAL 63 HG21 VAL 63 7.754 1.558 -2.282
490 HG22 VAL 63 HG22 VAL 63 8.478 1.218 -3.856
491 HG23 VAL 63 HG23 VAL 63 6.734 1.442 -3.722
492 H LEU 64 H LEU 64 7.496 5.911 -1.318
493 HA LEU 64 HA LEU 64 7.381 8.158 -3.228
494 HB2 LEU 64 HB2 LEU 64 6.612 7.924 -0.374
495 HB3 LEU 64 HB3 LEU 64 7.610 9.325 -0.690
496 HG LEU 64 HG LEU 64 5.305 9.997 -0.797
497 HD11 LEU 64 HD11 LEU 64 6.826 11.077 -2.376
498 HD12 LEU 64 HD12 LEU 64 5.189 10.994 -3.018
499 HD13 LEU 64 HD13 LEU 64 6.427 9.881 -3.613
500 HD21 LEU 64 HD21 LEU 64 4.864 7.855 -2.899
501 HD22 LEU 64 HD22 LEU 64 3.677 9.046 -2.356
502 HD23 LEU 64 HD23 LEU 64 4.273 7.827 -1.234
503 HA PRO 65 HA PRO 65 11.937 8.420 -2.568
504 HB2 PRO 65 HB2 PRO 65 12.286 10.382 -4.483
505 HB3 PRO 65 HB3 PRO 65 12.258 8.656 -4.847
506 HG2 PRO 65 HG2 PRO 65 10.039 10.679 -5.094
507 HG3 PRO 65 HG3 PRO 65 10.531 9.417 -6.246
508 HD2 PRO 65 HD2 PRO 65 8.411 9.090 -4.606
509 HD3 PRO 65 HD3 PRO 65 9.465 7.722 -5.035
510 H ALA 66 H ALA 66 9.559 11.105 -2.869
511 HA ALA 66 HA ALA 66 10.681 12.406 -0.470
512 HB1 ALA 66 HB1 ALA 66 10.128 13.929 -3.042
513 HB2 ALA 66 HB2 ALA 66 11.724 13.542 -2.399
514 HB3 ALA 66 HB3 ALA 66 10.657 14.625 -1.505
515 H THR 67 H THR 67 9.023 12.298 0.895
516 HA THR 67 HA THR 67 6.245 12.289 0.120
517 HB THR 67 HB THR 67 5.899 12.195 2.686
518 HG1 THR 67 HG1 THR 67 7.766 12.952 3.521
519 HG21 THR 67 HG21 THR 67 5.804 10.174 1.293
520 HG22 THR 67 HG22 THR 67 6.557 9.843 2.857
521 HG23 THR 67 HG23 THR 67 7.561 10.005 1.415
522 H GLN 68 H GLN 68 5.891 14.349 -0.749
523 HA GLN 68 HA GLN 68 6.276 16.797 0.754
524 HB2 GLN 68 HB2 GLN 68 4.618 16.318 -1.758
525 HB3 GLN 68 HB3 GLN 68 5.183 17.876 -1.156
526 HG2 GLN 68 HG2 GLN 68 7.544 17.074 -1.532
527 HG3 GLN 68 HG3 GLN 68 6.877 15.633 -2.306
528 HE21 GLN 68 HE21 GLN 68 5.604 15.950 -4.244
529 HE22 GLN 68 HE22 GLN 68 5.889 17.321 -5.251
530 HA PRO 69 HA PRO 69 2.238 17.052 2.888
531 HB2 PRO 69 HB2 PRO 69 1.414 19.659 2.347
532 HB3 PRO 69 HB3 PRO 69 2.602 19.229 3.583
533 HG2 PRO 69 HG2 PRO 69 3.062 20.201 0.764
534 HG3 PRO 69 HG3 PRO 69 3.872 20.699 2.265
535 HD2 PRO 69 HD2 PRO 69 5.049 18.981 0.571
536 HD3 PRO 69 HD3 PRO 69 5.214 18.773 2.329
537 H SER 70 H SER 70 2.467 17.737 -0.523
538 HA SER 70 HA SER 70 -0.113 17.533 -1.501
539 HB2 SER 70 HB2 SER 70 1.737 17.854 -3.027
540 HB3 SER 70 HB3 SER 70 2.488 16.337 -2.537
541 HG SER 70 HG SER 70 1.121 15.230 -3.759
542 H ASP 71 H ASP 71 2.047 14.847 -0.561
543 HA ASP 71 HA ASP 71 -0.205 12.942 -0.660
544 HB2 ASP 71 HB2 ASP 71 2.783 12.501 -0.879
545 HB3 ASP 71 HB3 ASP 71 1.628 11.179 -0.690
546 H GLY 72 H GLY 72 0.531 14.872 1.570
547 HA2 GLY 72 HA2 GLY 72 0.881 13.131 3.857
548 HA3 GLY 72 HA3 GLY 72 0.450 14.831 3.883
549 H GLY 73 H GLY 73 -0.666 12.207 5.123
550 HA2 GLY 73 HA2 GLY 73 -3.018 12.475 6.016
551 HA3 GLY 73 HA3 GLY 73 -3.512 12.483 4.323
552 H GLU 74 H GLU 74 -4.820 10.623 5.019
553 HA GLU 74 HA GLU 74 -3.372 8.116 5.520
554 HB2 GLU 74 HB2 GLU 74 -6.332 8.817 5.608
555 HB3 GLU 74 HB3 GLU 74 -5.729 7.173 5.801
556 HG2 GLU 74 HG2 GLU 74 -6.068 7.945 7.998
557 HG3 GLU 74 HG3 GLU 74 -4.331 8.029 7.742
558 H PHE 75 H PHE 75 -3.546 6.303 4.196
559 HA PHE 75 HA PHE 75 -4.585 6.683 1.439
560 HB2 PHE 75 HB2 PHE 75 -2.140 5.122 2.402
561 HB3 PHE 75 HB3 PHE 75 -2.798 4.973 0.776
562 HD1 PHE 75 HD2 PHE 75 -1.210 7.377 3.151
563 HD2 PHE 75 HD1 PHE 75 -2.284 6.601 -0.915
564 HE1 PHE 75 HE2 PHE 75 0.128 9.307 2.424
565 HE2 PHE 75 HE1 PHE 75 -0.945 8.535 -1.633
566 HZ PHE 75 HZ PHE 75 0.262 9.890 0.033
567 H GLN 76 H GLN 76 -5.663 4.904 0.470
568 HA GLN 76 HA GLN 76 -6.505 2.706 2.282
569 HB2 GLN 76 HB2 GLN 76 -8.265 4.396 2.354
570 HB3 GLN 76 HB3 GLN 76 -8.327 4.477 0.596
571 HG2 GLN 76 HG2 GLN 76 -9.130 2.105 0.554
572 HG3 GLN 76 HG3 GLN 76 -9.131 2.104 2.319
573 HE21 GLN 76 HE21 GLN 76 -10.670 3.411 -0.543
574 HE22 GLN 76 HE22 GLN 76 -12.112 3.940 0.241
575 H CYS 77 H CYS 77 -5.749 0.907 1.328
576 HA CYS 77 HA CYS 77 -5.712 0.521 -1.557
577 HB2 CYS 77 HB2 CYS 77 -5.067 -1.428 0.693
578 HB3 CYS 77 HB3 CYS 77 -4.684 -1.642 -1.017
579 HG CYS 77 HG CYS 77 -2.630 -0.026 -1.154
580 H VAL 78 H VAL 78 -7.564 -0.154 -2.629
581 HA VAL 78 HA VAL 78 -9.599 -1.717 -1.113
582 HB VAL 78 HB VAL 78 -9.986 -0.089 -3.671
583 HG11 VAL 78 HG11 VAL 78 -11.535 -2.007 -3.616
584 HG12 VAL 78 HG12 VAL 78 -12.417 -0.506 -3.346
585 HG13 VAL 78 HG13 VAL 78 -12.056 -1.571 -1.986
586 HG21 VAL 78 HG21 VAL 78 -9.614 1.355 -1.703
587 HG22 VAL 78 HG22 VAL 78 -10.883 0.507 -0.816
588 HG23 VAL 78 HG23 VAL 78 -11.292 1.464 -2.242
589 H ALA 79 H ALA 79 -9.360 -3.836 -1.424
590 HA ALA 79 HA ALA 79 -8.401 -5.022 -3.917
591 HB1 ALA 79 HB1 ALA 79 -8.529 -7.148 -2.684
592 HB2 ALA 79 HB2 ALA 79 -9.313 -6.324 -1.332
593 HB3 ALA 79 HB3 ALA 79 -7.652 -5.923 -1.766
594 H GLY 80 H GLY 80 -11.429 -4.752 -2.131
595 HA2 GLY 80 HA2 GLY 80 -13.444 -4.731 -3.739
596 HA3 GLY 80 HA3 GLY 80 -12.913 -6.363 -4.140
597 H ASP 81 H ASP 81 -12.383 -7.647 -1.979
598 HA ASP 81 HA ASP 81 -14.797 -7.991 -0.466
599 HB2 ASP 81 HB2 ASP 81 -13.333 -9.890 -1.024
600 HB3 ASP 81 HB3 ASP 81 -11.996 -9.154 -0.160
601 H GLU 82 H GLU 82 -11.475 -6.933 0.447
602 HA GLU 82 HA GLU 82 -12.614 -5.218 2.587
603 HB2 GLU 82 HB2 GLU 82 -10.235 -7.103 2.844
604 HB3 GLU 82 HB3 GLU 82 -10.528 -5.776 3.972
605 HG2 GLU 82 HG2 GLU 82 -12.705 -6.750 4.564
606 HG3 GLU 82 HG3 GLU 82 -12.419 -8.085 3.448
607 H CYS 83 H CYS 83 -10.865 -3.732 3.503
608 HA CYS 83 HA CYS 83 -9.145 -2.575 1.405
609 HB2 CYS 83 HB2 CYS 83 -11.115 -0.988 3.108
610 HB3 CYS 83 HB3 CYS 83 -9.963 -0.303 1.960
611 HG CYS 83 HG CYS 83 -12.685 -2.242 1.234
612 H ALA 84 H ALA 84 -7.170 -2.053 2.129
613 HA ALA 84 HA ALA 84 -6.506 -2.201 4.989
614 HB1 ALA 84 HB1 ALA 84 -4.168 -2.269 4.200
615 HB2 ALA 84 HB2 ALA 84 -4.719 -2.045 2.537
616 HB3 ALA 84 HB3 ALA 84 -5.150 -3.508 3.420
617 H TYR 85 H TYR 85 -5.175 -0.524 5.987
618 HA TYR 85 HA TYR 85 -5.496 2.161 4.762
619 HB2 TYR 85 HB2 TYR 85 -5.974 1.574 7.713
620 HB3 TYR 85 HB3 TYR 85 -6.213 3.107 6.880
621 HD1 TYR 85 HD2 TYR 85 -8.043 3.151 4.979
622 HD2 TYR 85 HD1 TYR 85 -7.798 0.078 7.944
623 HE1 TYR 85 HE2 TYR 85 -10.386 2.533 4.543
624 HE2 TYR 85 HE1 TYR 85 -10.132 -0.536 7.497
625 HH TYR 85 HH TYR 85 -12.157 0.488 6.607
626 H PHE 86 H PHE 86 -3.831 3.469 4.919
627 HA PHE 86 HA PHE 86 -1.639 3.016 6.869
628 HB2 PHE 86 HB2 PHE 86 -1.457 4.278 4.080
629 HB3 PHE 86 HB3 PHE 86 -0.121 4.105 5.216
630 HD1 PHE 86 HD1 PHE 86 -2.368 2.285 2.911
631 HD2 PHE 86 HD2 PHE 86 0.979 1.945 5.549
632 HE1 PHE 86 HE1 PHE 86 -1.876 0.051 2.013
633 HE2 PHE 86 HE2 PHE 86 1.466 -0.282 4.633
634 HZ PHE 86 HZ PHE 86 0.037 -1.230 2.870
635 H THR 87 H THR 87 -0.810 4.980 7.824
636 HA THR 87 HA THR 87 -2.479 7.421 7.502
637 HB THR 87 HB THR 87 -1.667 6.159 10.176
638 HG1 THR 87 HG1 THR 87 -3.957 5.998 8.618
639 HG21 THR 87 HG21 THR 87 -3.030 7.930 11.234
640 HG22 THR 87 HG22 THR 87 -3.318 8.665 9.657
641 HG23 THR 87 HG23 THR 87 -1.686 8.633 10.329
642 H VAL 88 H VAL 88 -0.948 8.738 6.561
643 HA VAL 88 HA VAL 88 1.822 8.721 7.637
644 HB VAL 88 HB VAL 88 0.944 9.719 4.883
645 HG11 VAL 88 HG11 VAL 88 3.722 9.088 5.973
646 HG12 VAL 88 HG12 VAL 88 3.066 10.699 5.673
647 HG13 VAL 88 HG13 VAL 88 3.355 9.604 4.323
648 HG21 VAL 88 HG21 VAL 88 2.139 7.001 5.583
649 HG22 VAL 88 HG22 VAL 88 1.849 7.605 3.950
650 HG23 VAL 88 HG23 VAL 88 0.488 7.299 5.028
651 H THR 89 H THR 89 1.781 10.272 9.218
652 HA THR 89 HA THR 89 0.645 12.922 8.811
653 HB THR 89 HB THR 89 2.447 11.924 11.075
654 HG1 THR 89 HG1 THR 89 0.529 11.589 12.199
655 HG21 THR 89 HG21 THR 89 0.660 14.395 10.948
656 HG22 THR 89 HG22 THR 89 2.426 14.403 10.933
657 HG23 THR 89 HG23 THR 89 1.560 13.846 12.365
658 H ILE 90 H ILE 90 1.711 14.274 7.409
659 HA ILE 90 HA ILE 90 4.686 14.329 7.393
660 HB ILE 90 HB ILE 90 2.741 15.187 5.201
661 HG12 ILE 90 HG12 ILE 90 4.669 12.818 5.356
662 HG13 ILE 90 HG13 ILE 90 2.913 12.724 5.434
663 HG21 ILE 90 HG21 ILE 90 4.734 15.571 3.784
664 HG22 ILE 90 HG22 ILE 90 5.788 15.203 5.150
665 HG23 ILE 90 HG23 ILE 90 4.750 16.629 5.195
666 HD11 ILE 90 HD11 ILE 90 3.677 12.031 3.278
667 HD12 ILE 90 HD12 ILE 90 4.581 13.529 3.057
668 HD13 ILE 90 HD13 ILE 90 2.819 13.562 3.103
Start of MODEL 4
1 H HIS 1 H1 HIS 1 -16.171 -11.000 -11.091
2 HA HIS 1 HA HIS 1 -17.018 -9.569 -9.341
3 HB2 HIS 1 HB2 HIS 1 -17.746 -11.948 -9.557
4 HB3 HIS 1 HB3 HIS 1 -16.478 -12.434 -8.441
5 HD1 HIS 1 HD1 HIS 1 -17.014 -12.316 -5.975
6 HD2 HIS 1 HD2 HIS 1 -19.899 -10.447 -8.311
7 HE1 HIS 1 HE1 HIS 1 -18.883 -11.756 -4.403
8 HE2 HIS 1 HE2 HIS 1 -20.674 -10.770 -5.859
9 H MET 2 H MET 2 -13.833 -9.745 -9.155
10 HA MET 2 HA MET 2 -12.118 -9.584 -7.677
11 HB2 MET 2 HB2 MET 2 -12.133 -7.437 -6.410
12 HB3 MET 2 HB3 MET 2 -12.685 -7.269 -8.068
13 HG2 MET 2 HG2 MET 2 -15.008 -7.123 -7.287
14 HG3 MET 2 HG3 MET 2 -14.465 -7.319 -5.622
15 HE1 MET 2 HE1 MET 2 -12.766 -5.162 -8.520
16 HE2 MET 2 HE2 MET 2 -13.509 -3.593 -8.216
17 HE3 MET 2 HE3 MET 2 -14.498 -4.940 -8.781
18 HA PRO 3 HA PRO 3 -13.711 -11.725 -3.849
19 HB2 PRO 3 HB2 PRO 3 -13.132 -14.295 -4.390
20 HB3 PRO 3 HB3 PRO 3 -14.544 -13.516 -5.116
21 HG2 PRO 3 HG2 PRO 3 -11.890 -14.167 -6.354
22 HG3 PRO 3 HG3 PRO 3 -13.507 -14.191 -7.083
23 HD2 PRO 3 HD2 PRO 3 -11.589 -12.087 -7.271
24 HD3 PRO 3 HD3 PRO 3 -13.283 -12.017 -7.793
25 H VAL 4 H VAL 4 -11.887 -10.384 -3.030
26 HA VAL 4 HA VAL 4 -9.471 -11.902 -2.388
27 HB VAL 4 HB VAL 4 -8.761 -10.992 -4.481
28 HG11 VAL 4 HG11 VAL 4 -8.844 -8.590 -5.080
29 HG12 VAL 4 HG12 VAL 4 -9.714 -8.246 -3.581
30 HG13 VAL 4 HG13 VAL 4 -10.460 -9.258 -4.820
31 HG21 VAL 4 HG21 VAL 4 -6.854 -9.560 -3.848
32 HG22 VAL 4 HG22 VAL 4 -7.074 -10.864 -2.681
33 HG23 VAL 4 HG23 VAL 4 -7.602 -9.227 -2.284
34 H HIS 5 H HIS 5 -9.162 -11.678 -0.320
35 HA HIS 5 HA HIS 5 -9.806 -9.258 1.196
36 HB2 HIS 5 HB2 HIS 5 -8.731 -11.999 1.994
37 HB3 HIS 5 HB3 HIS 5 -8.920 -10.677 3.144
38 HD1 HIS 5 HD1 HIS 5 -11.168 -10.349 4.149
39 HD2 HIS 5 HD2 HIS 5 -11.298 -12.896 0.865
40 HE1 HIS 5 HE1 HIS 5 -13.509 -11.239 4.087
41 HE2 HIS 5 HE2 HIS 5 -13.583 -12.739 2.070
42 H ILE 6 H ILE 6 -8.095 -8.411 2.745
43 HA ILE 6 HA ILE 6 -5.492 -8.152 1.328
44 HB ILE 6 HB ILE 6 -6.766 -6.310 3.405
45 HG12 ILE 6 HG12 ILE 6 -6.410 -6.014 0.382
46 HG13 ILE 6 HG13 ILE 6 -7.937 -6.226 1.232
47 HG21 ILE 6 HG21 ILE 6 -4.314 -6.236 3.575
48 HG22 ILE 6 HG22 ILE 6 -4.918 -4.736 2.873
49 HG23 ILE 6 HG23 ILE 6 -4.177 -5.958 1.837
50 HD11 ILE 6 HD11 ILE 6 -6.116 -3.832 1.404
51 HD12 ILE 6 HD12 ILE 6 -7.635 -4.034 2.284
52 HD13 ILE 6 HD13 ILE 6 -7.637 -3.950 0.523
53 H VAL 7 H VAL 7 -4.524 -10.026 2.108
54 HA VAL 7 HA VAL 7 -4.587 -10.964 4.770
55 HB VAL 7 HB VAL 7 -2.706 -12.474 4.096
56 HG11 VAL 7 HG11 VAL 7 -4.960 -12.259 2.053
57 HG12 VAL 7 HG12 VAL 7 -5.030 -13.113 3.597
58 HG13 VAL 7 HG13 VAL 7 -3.954 -13.687 2.324
59 HG21 VAL 7 HG21 VAL 7 -2.760 -10.948 1.449
60 HG22 VAL 7 HG22 VAL 7 -1.846 -12.426 1.764
61 HG23 VAL 7 HG23 VAL 7 -1.436 -10.939 2.622
62 H ASP 8 H ASP 8 -2.529 -8.592 3.277
63 HA ASP 8 HA ASP 8 -1.307 -7.945 5.863
64 HB2 ASP 8 HB2 ASP 8 0.404 -9.301 4.846
65 HB3 ASP 8 HB3 ASP 8 0.202 -8.516 3.290
66 HA PRO 9 HA PRO 9 -1.108 -6.405 7.065
67 HB2 PRO 9 HB2 PRO 9 -1.963 -4.173 8.286
68 HB3 PRO 9 HB3 PRO 9 -0.439 -4.181 7.381
69 HG2 PRO 9 HG2 PRO 9 -3.155 -3.182 6.512
70 HG3 PRO 9 HG3 PRO 9 -1.570 -2.393 6.348
71 HD2 PRO 9 HD2 PRO 9 -2.783 -3.838 4.319
72 HD3 PRO 9 HD3 PRO 9 -1.025 -3.613 4.451
73 H ARG 10 H ARG 10 -2.487 -6.782 8.917
74 HA ARG 10 HA ARG 10 -5.393 -7.035 8.388
75 HB2 ARG 10 HB2 ARG 10 -3.549 -8.413 10.387
76 HB3 ARG 10 HB3 ARG 10 -5.300 -8.592 10.420
77 HG2 ARG 10 HG2 ARG 10 -3.574 -9.362 8.034
78 HG3 ARG 10 HG3 ARG 10 -4.047 -10.483 9.310
79 HD2 ARG 10 HD2 ARG 10 -5.533 -10.777 7.415
80 HD3 ARG 10 HD3 ARG 10 -6.447 -10.068 8.749
81 HE ARG 10 HE ARG 10 -5.360 -8.299 6.672
82 HH11 ARG 10 HH11 ARG 10 -8.200 -9.754 8.022
83 HH12 ARG 10 HH12 ARG 10 -9.254 -8.669 7.190
84 HH21 ARG 10 HH21 ARG 10 -6.725 -6.924 5.688
85 HH22 ARG 10 HH22 ARG 10 -8.435 -7.095 5.896
86 H GLU 11 H GLU 11 -4.082 -4.532 9.056
87 HA GLU 11 HA GLU 11 -5.471 -3.646 11.448
88 HB2 GLU 11 HB2 GLU 11 -3.379 -2.875 12.576
89 HB3 GLU 11 HB3 GLU 11 -3.428 -4.632 12.417
90 HG2 GLU 11 HG2 GLU 11 -1.941 -4.467 10.428
91 HG3 GLU 11 HG3 GLU 11 -1.851 -2.722 10.653
92 H HIS 12 H HIS 12 -4.668 -1.266 11.900
93 HA HIS 12 HA HIS 12 -4.567 0.255 9.358
94 HB2 HIS 12 HB2 HIS 12 -5.326 1.271 12.142
95 HB3 HIS 12 HB3 HIS 12 -5.570 2.095 10.601
96 HD1 HIS 12 HD1 HIS 12 -7.149 -0.279 12.929
97 HD2 HIS 12 HD2 HIS 12 -7.648 0.872 8.968
98 HE1 HIS 12 HE1 HIS 12 -9.410 -1.134 12.260
99 HE2 HIS 12 HE2 HIS 12 -9.760 -0.273 9.924
100 H VAL 13 H VAL 13 -2.433 0.589 8.873
101 HA VAL 13 HA VAL 13 -0.410 0.616 10.983
102 HB VAL 13 HB VAL 13 -0.024 0.663 7.953
103 HG11 VAL 13 HG11 VAL 13 2.281 -0.141 8.434
104 HG12 VAL 13 HG12 VAL 13 1.977 0.024 10.165
105 HG13 VAL 13 HG13 VAL 13 1.988 1.454 9.132
106 HG21 VAL 13 HG21 VAL 13 0.385 -1.769 8.133
107 HG22 VAL 13 HG22 VAL 13 -1.249 -1.353 8.654
108 HG23 VAL 13 HG23 VAL 13 -0.007 -1.714 9.856
109 H PHE 14 H PHE 14 0.294 2.460 11.868
110 HA PHE 14 HA PHE 14 0.064 5.040 10.507
111 HB2 PHE 14 HB2 PHE 14 1.188 4.323 13.263
112 HB3 PHE 14 HB3 PHE 14 0.949 5.961 12.658
113 HD1 PHE 14 HD1 PHE 14 -0.777 2.915 13.876
114 HD2 PHE 14 HD2 PHE 14 -1.290 6.950 12.549
115 HE1 PHE 14 HE1 PHE 14 -3.092 2.901 14.714
116 HE2 PHE 14 HE2 PHE 14 -3.602 6.930 13.396
117 HZ PHE 14 HZ PHE 14 -4.507 4.908 14.476
118 H VAL 15 H VAL 15 1.554 5.463 8.996
119 HA VAL 15 HA VAL 15 4.331 4.497 9.211
120 HB VAL 15 HB VAL 15 2.861 5.725 6.824
121 HG11 VAL 15 HG11 VAL 15 5.569 4.342 6.935
122 HG12 VAL 15 HG12 VAL 15 5.280 6.056 6.630
123 HG13 VAL 15 HG13 VAL 15 4.742 4.851 5.459
124 HG21 VAL 15 HG21 VAL 15 3.445 2.789 7.412
125 HG22 VAL 15 HG22 VAL 15 2.742 3.414 5.918
126 HG23 VAL 15 HG23 VAL 15 1.855 3.561 7.436
127 H HIS 16 H HIS 16 5.529 5.926 10.366
128 HA HIS 16 HA HIS 16 5.029 8.765 10.434
129 HB2 HIS 16 HB2 HIS 16 7.289 7.131 11.665
130 HB3 HIS 16 HB3 HIS 16 6.945 8.828 12.016
131 HD1 HIS 16 HD1 HIS 16 5.777 5.364 12.766
132 HD2 HIS 16 HD2 HIS 16 4.605 9.268 13.586
133 HE1 HIS 16 HE1 HIS 16 4.013 5.173 14.530
134 HE2 HIS 16 HE2 HIS 16 3.224 7.528 14.913
135 H ALA 17 H ALA 17 6.153 10.386 9.405
136 HA ALA 17 HA ALA 17 8.352 9.765 7.565
137 HB1 ALA 17 HB1 ALA 17 6.307 9.193 6.310
138 HB2 ALA 17 HB2 ALA 17 7.117 10.589 5.598
139 HB3 ALA 17 HB3 ALA 17 5.671 10.816 6.589
140 H ILE 18 H ILE 18 9.173 11.682 6.446
141 HA ILE 18 HA ILE 18 8.644 14.299 7.770
142 HB ILE 18 HB ILE 18 11.393 13.241 6.925
143 HG12 ILE 18 HG12 ILE 18 10.328 13.597 9.772
144 HG13 ILE 18 HG13 ILE 18 10.517 12.050 8.954
145 HG21 ILE 18 HG21 ILE 18 11.252 15.689 6.741
146 HG22 ILE 18 HG22 ILE 18 12.330 15.234 8.060
147 HG23 ILE 18 HG23 ILE 18 10.695 15.801 8.412
148 HD11 ILE 18 HD11 ILE 18 12.738 13.944 9.710
149 HD12 ILE 18 HD12 ILE 18 12.941 12.406 8.867
150 HD13 ILE 18 HD13 ILE 18 12.316 12.432 10.515
151 H THR 19 H THR 19 9.125 16.184 6.329
152 HA THR 19 HA THR 19 8.287 15.976 3.650
153 HB THR 19 HB THR 19 9.144 18.331 3.380
154 HG1 THR 19 HG1 THR 19 10.614 19.064 4.706
155 HG21 THR 19 HG21 THR 19 6.909 18.010 4.376
156 HG22 THR 19 HG22 THR 19 7.724 19.398 5.098
157 HG23 THR 19 HG23 THR 19 7.633 17.873 5.981
158 H SER 20 H SER 20 9.364 15.865 1.702
159 HA SER 20 HA SER 20 10.909 15.435 0.122
160 HB2 SER 20 HB2 SER 20 12.806 16.763 2.089
161 HB3 SER 20 HB3 SER 20 13.274 16.301 0.451
162 HG SER 20 HG SER 20 12.148 17.918 -0.340
163 H GLU 21 H GLU 21 10.545 13.499 2.542
164 HA GLU 21 HA GLU 21 12.883 11.750 2.050
165 HB2 GLU 21 HB2 GLU 21 10.708 11.609 4.181
166 HB3 GLU 21 HB3 GLU 21 12.043 10.466 4.026
167 HG2 GLU 21 HG2 GLU 21 12.277 13.429 4.648
168 HG3 GLU 21 HG3 GLU 21 12.471 12.105 5.793
169 H CYS 22 H CYS 22 12.106 9.267 2.281
170 HA CYS 22 HA CYS 22 10.202 8.845 0.048
171 HB2 CYS 22 HB2 CYS 22 12.521 7.101 0.966
172 HB3 CYS 22 HB3 CYS 22 11.434 6.724 -0.371
173 HG CYS 22 HG CYS 22 12.659 9.726 -0.832
174 H VAL 23 H VAL 23 8.326 7.881 0.456
175 HA VAL 23 HA VAL 23 7.945 6.182 2.871
176 HB VAL 23 HB VAL 23 5.836 7.744 1.294
177 HG11 VAL 23 HG11 VAL 23 5.522 6.122 3.852
178 HG12 VAL 23 HG12 VAL 23 4.859 5.709 2.270
179 HG13 VAL 23 HG13 VAL 23 4.266 7.134 3.127
180 HG21 VAL 23 HG21 VAL 23 7.004 8.316 4.046
181 HG22 VAL 23 HG22 VAL 23 5.673 9.201 3.297
182 HG23 VAL 23 HG23 VAL 23 7.285 9.260 2.580
183 H MET 24 H MET 24 7.398 4.055 2.565
184 HA MET 24 HA MET 24 6.430 3.165 -0.101
185 HB2 MET 24 HB2 MET 24 8.829 2.598 0.186
186 HB3 MET 24 HB3 MET 24 8.457 1.722 1.662
187 HG2 MET 24 HG2 MET 24 7.139 0.091 0.380
188 HG3 MET 24 HG3 MET 24 7.476 0.986 -1.108
189 HE1 MET 24 HE1 MET 24 11.399 0.487 -1.414
190 HE2 MET 24 HE2 MET 24 10.578 1.826 -0.612
191 HE3 MET 24 HE3 MET 24 9.972 1.217 -2.153
192 H LEU 25 H LEU 25 4.324 2.938 0.428
193 HA LEU 25 HA LEU 25 3.325 1.557 2.762
194 HB2 LEU 25 HB2 LEU 25 1.826 2.368 0.246
195 HB3 LEU 25 HB3 LEU 25 1.125 2.011 1.823
196 HG LEU 25 HG LEU 25 2.923 4.386 1.194
197 HD11 LEU 25 HD11 LEU 25 0.913 5.754 1.385
198 HD12 LEU 25 HD12 LEU 25 -0.076 4.309 1.616
199 HD13 LEU 25 HD13 LEU 25 0.757 4.578 0.081
200 HD21 LEU 25 HD21 LEU 25 1.402 3.722 3.743
201 HD22 LEU 25 HD22 LEU 25 2.278 5.221 3.422
202 HD23 LEU 25 HD23 LEU 25 3.155 3.700 3.532
203 H ALA 26 H ALA 26 3.874 -0.632 2.736
204 HA ALA 26 HA ALA 26 3.539 -2.255 0.312
205 HB1 ALA 26 HB1 ALA 26 4.609 -4.045 1.637
206 HB2 ALA 26 HB2 ALA 26 4.604 -2.997 3.059
207 HB3 ALA 26 HB3 ALA 26 5.574 -2.567 1.649
208 H CYS 27 H CYS 27 1.619 -3.221 -0.097
209 HA CYS 27 HA CYS 27 -0.008 -4.323 2.126
210 HB2 CYS 27 HB2 CYS 27 -1.094 -2.244 1.360
211 HB3 CYS 27 HB3 CYS 27 -1.075 -2.819 -0.304
212 HG CYS 27 HG CYS 27 -2.558 -5.117 1.435
213 H GLU 28 H GLU 28 0.025 -6.488 1.849
214 HA GLU 28 HA GLU 28 0.111 -7.660 -0.855
215 HB2 GLU 28 HB2 GLU 28 1.740 -8.394 0.912
216 HB3 GLU 28 HB3 GLU 28 0.397 -9.055 1.828
217 HG2 GLU 28 HG2 GLU 28 -0.097 -10.607 -0.037
218 HG3 GLU 28 HG3 GLU 28 1.278 -9.955 -0.931
219 H VAL 29 H VAL 29 -1.524 -8.842 -1.682
220 HA VAL 29 HA VAL 29 -4.078 -8.980 -0.195
221 HB VAL 29 HB VAL 29 -5.186 -8.855 -2.433
222 HG11 VAL 29 HG11 VAL 29 -4.891 -6.808 -1.089
223 HG12 VAL 29 HG12 VAL 29 -4.796 -6.447 -2.812
224 HG13 VAL 29 HG13 VAL 29 -3.320 -6.519 -1.845
225 HG21 VAL 29 HG21 VAL 29 -3.377 -9.755 -3.853
226 HG22 VAL 29 HG22 VAL 29 -2.380 -8.339 -3.515
227 HG23 VAL 29 HG23 VAL 29 -3.878 -8.164 -4.433
228 H ASP 30 H ASP 30 -5.573 -10.725 -1.047
229 HA ASP 30 HA ASP 30 -4.281 -13.224 -0.507
230 HB2 ASP 30 HB2 ASP 30 -6.467 -12.557 0.446
231 HB3 ASP 30 HB3 ASP 30 -7.178 -12.576 -1.160
232 H ARG 31 H ARG 31 -5.595 -11.726 -3.427
233 HA ARG 31 HA ARG 31 -5.138 -14.181 -5.023
234 HB2 ARG 31 HB2 ARG 31 -7.174 -12.031 -5.172
235 HB3 ARG 31 HB3 ARG 31 -6.418 -12.318 -6.724
236 HG2 ARG 31 HG2 ARG 31 -8.462 -13.618 -6.534
237 HG3 ARG 31 HG3 ARG 31 -7.067 -14.691 -6.634
238 HD2 ARG 31 HD2 ARG 31 -7.164 -15.013 -4.168
239 HD3 ARG 31 HD3 ARG 31 -8.598 -13.979 -4.108
240 HE ARG 31 HE ARG 31 -9.050 -16.058 -5.953
241 HH11 ARG 31 HH11 ARG 31 -8.774 -15.660 -2.523
242 HH12 ARG 31 HH12 ARG 31 -9.733 -17.057 -2.193
243 HH21 ARG 31 HH21 ARG 31 -10.265 -17.829 -5.480
244 HH22 ARG 31 HH22 ARG 31 -10.567 -18.260 -3.833
245 H GLU 32 H GLU 32 -3.514 -14.230 -6.523
246 HA GLU 32 HA GLU 32 -1.586 -12.190 -6.857
247 HB2 GLU 32 HB2 GLU 32 -1.010 -14.493 -7.382
248 HB3 GLU 32 HB3 GLU 32 -2.285 -14.598 -8.592
249 HG2 GLU 32 HG2 GLU 32 -1.094 -12.992 -10.021
250 HG3 GLU 32 HG3 GLU 32 0.163 -12.816 -8.796
251 H ASP 33 H ASP 33 -4.402 -13.092 -8.864
252 HA ASP 33 HA ASP 33 -4.083 -10.781 -10.642
253 HB2 ASP 33 HB2 ASP 33 -4.706 -13.045 -11.533
254 HB3 ASP 33 HB3 ASP 33 -6.194 -12.987 -10.596
255 H ALA 34 H ALA 34 -4.332 -9.634 -8.333
256 HA ALA 34 HA ALA 34 -7.160 -8.772 -8.018
257 HB1 ALA 34 HB1 ALA 34 -6.283 -9.901 -6.016
258 HB2 ALA 34 HB2 ALA 34 -6.639 -8.204 -5.696
259 HB3 ALA 34 HB3 ALA 34 -4.969 -8.730 -5.924
260 HA PRO 35 HA PRO 35 -5.201 -4.828 -9.430
261 HB2 PRO 35 HB2 PRO 35 -7.434 -3.743 -10.545
262 HB3 PRO 35 HB3 PRO 35 -6.470 -4.966 -11.385
263 HG2 PRO 35 HG2 PRO 35 -9.030 -5.308 -9.823
264 HG3 PRO 35 HG3 PRO 35 -8.586 -5.991 -11.402
265 HD2 PRO 35 HD2 PRO 35 -8.405 -7.406 -9.059
266 HD3 PRO 35 HD3 PRO 35 -7.337 -7.704 -10.450
267 H VAL 36 H VAL 36 -4.817 -3.958 -7.387
268 HA VAL 36 HA VAL 36 -6.924 -3.104 -5.598
269 HB VAL 36 HB VAL 36 -5.144 -2.219 -4.151
270 HG11 VAL 36 HG11 VAL 36 -5.632 -4.614 -4.013
271 HG12 VAL 36 HG12 VAL 36 -3.921 -4.320 -3.703
272 HG13 VAL 36 HG13 VAL 36 -4.436 -4.956 -5.267
273 HG21 VAL 36 HG21 VAL 36 -3.181 -2.898 -6.386
274 HG22 VAL 36 HG22 VAL 36 -2.743 -2.346 -4.767
275 HG23 VAL 36 HG23 VAL 36 -3.623 -1.273 -5.856
276 H ARG 37 H ARG 37 -7.404 -0.968 -4.980
277 HA ARG 37 HA ARG 37 -6.601 1.219 -6.805
278 HB2 ARG 37 HB2 ARG 37 -9.022 1.160 -4.938
279 HB3 ARG 37 HB3 ARG 37 -8.604 2.443 -6.069
280 HG2 ARG 37 HG2 ARG 37 -9.728 -0.306 -6.656
281 HG3 ARG 37 HG3 ARG 37 -10.386 1.274 -7.086
282 HD2 ARG 37 HD2 ARG 37 -8.062 -0.208 -8.347
283 HD3 ARG 37 HD3 ARG 37 -9.567 0.310 -9.108
284 HE ARG 37 HE ARG 37 -8.006 2.519 -8.156
285 HH11 ARG 37 HH11 ARG 37 -8.464 0.401 -10.867
286 HH12 ARG 37 HH12 ARG 37 -7.454 1.345 -11.904
287 HH21 ARG 37 HH21 ARG 37 -6.692 3.674 -9.509
288 HH22 ARG 37 HH22 ARG 37 -6.495 3.180 -11.152
289 H TRP 38 H TRP 38 -6.129 3.286 -5.780
290 HA TRP 38 HA TRP 38 -5.398 3.152 -2.908
291 HB2 TRP 38 HB2 TRP 38 -3.731 4.353 -5.167
292 HB3 TRP 38 HB3 TRP 38 -3.384 4.572 -3.454
293 HD1 TRP 38 HD1 TRP 38 -3.135 1.945 -6.244
294 HE1 TRP 38 HE1 TRP 38 -1.656 0.006 -5.433
295 HE3 TRP 38 HE3 TRP 38 -2.668 3.254 -1.307
296 HZ2 TRP 38 HZ2 TRP 38 -0.454 -0.873 -3.038
297 HZ3 TRP 38 HZ3 TRP 38 -1.338 1.806 0.177
298 HH2 TRP 38 HH2 TRP 38 -0.251 -0.218 -0.671
299 H TYR 39 H TYR 39 -6.140 4.813 -1.739
300 HA TYR 39 HA TYR 39 -6.982 7.348 -3.049
301 HB2 TYR 39 HB2 TYR 39 -8.506 5.809 -0.897
302 HB3 TYR 39 HB3 TYR 39 -8.912 7.441 -1.425
303 HD1 TYR 39 HD2 TYR 39 -9.637 7.810 -3.846
304 HD2 TYR 39 HD1 TYR 39 -9.273 3.904 -2.151
305 HE1 TYR 39 HE2 TYR 39 -10.997 6.889 -5.673
306 HE2 TYR 39 HE1 TYR 39 -10.623 2.984 -3.984
307 HH TYR 39 HH TYR 39 -11.215 4.568 -6.805
308 H LYS 40 H LYS 40 -7.392 9.068 -1.148
309 HA LYS 40 HA LYS 40 -5.843 8.733 1.248
310 HB2 LYS 40 HB2 LYS 40 -4.020 9.169 -0.425
311 HB3 LYS 40 HB3 LYS 40 -4.749 10.725 -0.802
312 HG2 LYS 40 HG2 LYS 40 -4.025 10.190 2.065
313 HG3 LYS 40 HG3 LYS 40 -2.695 10.425 0.937
314 HD2 LYS 40 HD2 LYS 40 -4.934 12.458 1.018
315 HD3 LYS 40 HD3 LYS 40 -3.713 12.467 2.292
316 HE2 LYS 40 HE2 LYS 40 -3.178 14.055 0.471
317 HE3 LYS 40 HE3 LYS 40 -1.944 12.822 0.655
318 HZ1 LYS 40 HZ1 LYS 40 -4.056 12.840 -1.420
319 HZ2 LYS 40 HZ2 LYS 40 -2.828 11.692 -1.268
320 HZ3 LYS 40 HZ3 LYS 40 -2.441 13.291 -1.652
321 H ASP 41 H ASP 41 -6.598 11.572 -0.728
322 HA ASP 41 HA ASP 41 -8.225 12.773 1.407
323 HB2 ASP 41 HB2 ASP 41 -7.932 14.875 0.067
324 HB3 ASP 41 HB3 ASP 41 -6.397 14.141 0.520
325 H GLY 42 H GLY 42 -9.102 10.597 -0.599
326 HA2 GLY 42 HA2 GLY 42 -11.295 10.206 -1.493
327 HA3 GLY 42 HA3 GLY 42 -11.451 11.922 -1.841
328 H GLN 43 H GLN 43 -8.673 12.003 -2.911
329 HA GLN 43 HA GLN 43 -9.146 11.512 -5.673
330 HB2 GLN 43 HB2 GLN 43 -7.655 13.299 -4.932
331 HB3 GLN 43 HB3 GLN 43 -6.612 12.149 -4.106
332 HG2 GLN 43 HG2 GLN 43 -6.075 11.147 -6.383
333 HG3 GLN 43 HG3 GLN 43 -6.945 12.504 -7.101
334 HE21 GLN 43 HE21 GLN 43 -4.106 11.561 -5.264
335 HE22 GLN 43 HE22 GLN 43 -3.209 13.013 -5.536
336 H GLU 44 H GLU 44 -8.889 9.655 -6.826
337 HA GLU 44 HA GLU 44 -7.562 7.292 -5.970
338 HB2 GLU 44 HB2 GLU 44 -9.231 7.246 -7.774
339 HB3 GLU 44 HB3 GLU 44 -8.230 8.279 -8.784
340 HG2 GLU 44 HG2 GLU 44 -8.101 6.002 -9.571
341 HG3 GLU 44 HG3 GLU 44 -6.531 6.486 -8.932
342 H VAL 45 H VAL 45 -5.424 7.015 -5.719
343 HA VAL 45 HA VAL 45 -3.574 9.124 -6.489
344 HB VAL 45 HB VAL 45 -3.025 6.630 -4.811
345 HG11 VAL 45 HG11 VAL 45 -1.080 7.898 -3.943
346 HG12 VAL 45 HG12 VAL 45 -1.430 9.213 -5.068
347 HG13 VAL 45 HG13 VAL 45 -0.960 7.627 -5.682
348 HG21 VAL 45 HG21 VAL 45 -4.801 7.971 -3.763
349 HG22 VAL 45 HG22 VAL 45 -3.802 9.423 -3.864
350 HG23 VAL 45 HG23 VAL 45 -3.310 8.082 -2.824
351 H GLU 46 H GLU 46 -3.220 8.933 -8.636
352 HA GLU 46 HA GLU 46 -2.527 6.401 -9.940
353 HB2 GLU 46 HB2 GLU 46 -4.167 7.969 -10.983
354 HB3 GLU 46 HB3 GLU 46 -2.933 9.220 -11.061
355 HG2 GLU 46 HG2 GLU 46 -1.640 7.858 -12.652
356 HG3 GLU 46 HG3 GLU 46 -2.838 6.572 -12.542
357 H GLU 47 H GLU 47 -0.585 6.267 -11.310
358 HA GLU 47 HA GLU 47 1.825 7.349 -10.136
359 HB2 GLU 47 HB2 GLU 47 1.411 5.639 -12.629
360 HB3 GLU 47 HB3 GLU 47 2.974 5.983 -11.886
361 HG2 GLU 47 HG2 GLU 47 2.364 4.742 -9.890
362 HG3 GLU 47 HG3 GLU 47 0.713 4.541 -10.465
363 H SER 48 H SER 48 1.014 9.615 -10.549
364 HA SER 48 HA SER 48 0.837 10.721 -13.179
365 HB2 SER 48 HB2 SER 48 1.197 12.193 -10.526
366 HB3 SER 48 HB3 SER 48 0.592 12.885 -12.036
367 HG SER 48 HG SER 48 -1.284 12.312 -11.291
368 H ASP 49 H ASP 49 3.335 10.853 -10.662
369 HA ASP 49 HA ASP 49 5.489 11.171 -12.546
370 HB2 ASP 49 HB2 ASP 49 4.734 13.534 -12.403
371 HB3 ASP 49 HB3 ASP 49 4.850 13.489 -10.647
372 H PHE 50 H PHE 50 4.842 11.975 -9.121
373 HA PHE 50 HA PHE 50 7.233 10.780 -8.122
374 HB2 PHE 50 HB2 PHE 50 4.726 11.766 -6.695
375 HB3 PHE 50 HB3 PHE 50 6.159 11.191 -5.854
376 HD1 PHE 50 HD2 PHE 50 4.781 13.921 -7.935
377 HD2 PHE 50 HD1 PHE 50 8.180 12.551 -5.729
378 HE1 PHE 50 HE2 PHE 50 5.765 16.174 -8.045
379 HE2 PHE 50 HE1 PHE 50 9.156 14.808 -5.844
380 HZ PHE 50 HZ PHE 50 7.953 16.620 -7.002
381 H VAL 51 H VAL 51 3.804 9.861 -7.692
382 HA VAL 51 HA VAL 51 4.137 7.536 -6.213
383 HB VAL 51 HB VAL 51 1.898 8.096 -8.214
384 HG11 VAL 51 HG11 VAL 51 1.888 6.289 -5.759
385 HG12 VAL 51 HG12 VAL 51 1.869 5.756 -7.442
386 HG13 VAL 51 HG13 VAL 51 0.491 6.640 -6.783
387 HG21 VAL 51 HG21 VAL 51 2.046 8.888 -5.276
388 HG22 VAL 51 HG22 VAL 51 0.671 9.150 -6.353
389 HG23 VAL 51 HG23 VAL 51 2.194 9.988 -6.649
390 H VAL 52 H VAL 52 5.103 5.634 -6.727
391 HA VAL 52 HA VAL 52 4.616 4.445 -9.399
392 HB VAL 52 HB VAL 52 6.808 3.166 -9.120
393 HG11 VAL 52 HG11 VAL 52 8.225 4.998 -9.983
394 HG12 VAL 52 HG12 VAL 52 7.038 6.186 -9.435
395 HG13 VAL 52 HG13 VAL 52 6.614 5.038 -10.706
396 HG21 VAL 52 HG21 VAL 52 8.558 4.121 -7.652
397 HG22 VAL 52 HG22 VAL 52 7.184 3.536 -6.713
398 HG23 VAL 52 HG23 VAL 52 7.385 5.266 -6.990
399 H LEU 53 H LEU 53 3.355 2.780 -9.262
400 HA LEU 53 HA LEU 53 2.933 1.279 -6.771
401 HB2 LEU 53 HB2 LEU 53 1.391 1.189 -9.400
402 HB3 LEU 53 HB3 LEU 53 0.918 0.395 -7.901
403 HG LEU 53 HG LEU 53 1.084 3.413 -8.309
404 HD11 LEU 53 HD11 LEU 53 -0.775 2.475 -9.583
405 HD12 LEU 53 HD12 LEU 53 -1.365 3.420 -8.219
406 HD13 LEU 53 HD13 LEU 53 -1.382 1.655 -8.141
407 HD21 LEU 53 HD21 LEU 53 1.559 2.799 -5.994
408 HD22 LEU 53 HD22 LEU 53 0.078 1.840 -5.918
409 HD23 LEU 53 HD23 LEU 53 -0.011 3.592 -6.118
410 H GLU 54 H GLU 54 4.560 -0.204 -6.619
411 HA GLU 54 HA GLU 54 5.376 -1.824 -8.950
412 HB2 GLU 54 HB2 GLU 54 6.608 -1.563 -6.167
413 HB3 GLU 54 HB3 GLU 54 7.254 -2.569 -7.464
414 HG2 GLU 54 HG2 GLU 54 7.594 -0.522 -8.844
415 HG3 GLU 54 HG3 GLU 54 6.993 0.459 -7.507
416 H ASN 55 H ASN 55 4.323 -3.684 -9.246
417 HA ASN 55 HA ASN 55 3.028 -5.029 -6.933
418 HB2 ASN 55 HB2 ASN 55 2.076 -4.842 -9.827
419 HB3 ASN 55 HB3 ASN 55 1.240 -5.698 -8.531
420 HD21 ASN 55 HD21 ASN 55 0.248 -3.486 -10.156
421 HD22 ASN 55 HD22 ASN 55 -0.151 -2.212 -9.060
422 H GLU 56 H GLU 56 4.093 -6.844 -6.445
423 HA GLU 56 HA GLU 56 5.129 -8.652 -8.567
424 HB2 GLU 56 HB2 GLU 56 6.956 -7.826 -7.171
425 HB3 GLU 56 HB3 GLU 56 6.085 -8.207 -5.699
426 HG2 GLU 56 HG2 GLU 56 7.855 -9.812 -6.008
427 HG3 GLU 56 HG3 GLU 56 6.310 -10.630 -6.193
428 H GLY 57 H GLY 57 3.257 -9.849 -8.893
429 HA2 GLY 57 HA2 GLY 57 1.583 -11.382 -8.559
430 HA3 GLY 57 HA3 GLY 57 2.595 -12.029 -7.282
431 HA PRO 58 HA PRO 58 -0.845 -10.661 -4.577
432 HB2 PRO 58 HB2 PRO 58 0.916 -11.600 -2.360
433 HB3 PRO 58 HB3 PRO 58 -0.711 -12.132 -2.805
434 HG2 PRO 58 HG2 PRO 58 1.422 -13.705 -3.242
435 HG3 PRO 58 HG3 PRO 58 0.079 -13.643 -4.406
436 HD2 PRO 58 HD2 PRO 58 2.749 -12.212 -4.522
437 HD3 PRO 58 HD3 PRO 58 1.916 -13.142 -5.794
438 H HIS 59 H HIS 59 2.556 -9.743 -4.186
439 HA HIS 59 HA HIS 59 2.180 -7.765 -2.123
440 HB2 HIS 59 HB2 HIS 59 4.517 -8.156 -4.037
441 HB3 HIS 59 HB3 HIS 59 4.538 -7.120 -2.615
442 HD1 HIS 59 HD1 HIS 59 5.356 -8.193 -0.506
443 HD2 HIS 59 HD2 HIS 59 4.233 -11.008 -3.349
444 HE1 HIS 59 HE1 HIS 59 6.089 -10.404 0.417
445 HE2 HIS 59 HE2 HIS 59 5.301 -12.098 -1.264
446 H ARG 60 H ARG 60 1.351 -5.762 -2.368
447 HA ARG 60 HA ARG 60 1.474 -4.311 -4.970
448 HB2 ARG 60 HB2 ARG 60 -0.879 -4.352 -3.008
449 HB3 ARG 60 HB3 ARG 60 -0.825 -3.470 -4.533
450 HG2 ARG 60 HG2 ARG 60 -0.706 -6.501 -4.298
451 HG3 ARG 60 HG3 ARG 60 -2.190 -5.581 -4.578
452 HD2 ARG 60 HD2 ARG 60 -1.375 -4.777 -6.699
453 HD3 ARG 60 HD3 ARG 60 0.234 -5.440 -6.399
454 HE ARG 60 HE ARG 60 -1.226 -7.658 -6.330
455 HH11 ARG 60 HH11 ARG 60 -1.382 -5.058 -8.611
456 HH12 ARG 60 HH12 ARG 60 -1.769 -6.111 -9.924
457 HH21 ARG 60 HH21 ARG 60 -1.663 -8.970 -8.046
458 HH22 ARG 60 HH22 ARG 60 -1.923 -8.280 -9.609
459 H ARG 61 H ARG 61 3.011 -2.700 -4.473
460 HA ARG 61 HA ARG 61 2.670 -1.233 -1.899
461 HB2 ARG 61 HB2 ARG 61 5.135 -0.910 -1.809
462 HB3 ARG 61 HB3 ARG 61 4.648 -2.597 -1.705
463 HG2 ARG 61 HG2 ARG 61 5.264 -2.922 -4.075
464 HG3 ARG 61 HG3 ARG 61 5.768 -1.230 -4.176
465 HD2 ARG 61 HD2 ARG 61 7.719 -2.663 -3.876
466 HD3 ARG 61 HD3 ARG 61 7.497 -1.659 -2.437
467 HE ARG 61 HE ARG 61 6.577 -4.476 -2.558
468 HH11 ARG 61 HH11 ARG 61 8.367 -2.016 -0.912
469 HH12 ARG 61 HH12 ARG 61 8.752 -3.051 0.416
470 HH21 ARG 61 HH21 ARG 61 7.117 -5.772 -0.840
471 HH22 ARG 61 HH22 ARG 61 8.041 -5.114 0.465
472 H LEU 62 H LEU 62 2.370 0.860 -1.962
473 HA LEU 62 HA LEU 62 2.834 2.500 -4.351
474 HB2 LEU 62 HB2 LEU 62 0.696 2.626 -3.024
475 HB3 LEU 62 HB3 LEU 62 1.597 3.229 -1.650
476 HG LEU 62 HG LEU 62 1.527 4.760 -4.293
477 HD11 LEU 62 HD11 LEU 62 -0.808 4.411 -3.641
478 HD12 LEU 62 HD12 LEU 62 -0.349 6.098 -3.434
479 HD13 LEU 62 HD13 LEU 62 -0.475 5.042 -2.024
480 HD21 LEU 62 HD21 LEU 62 1.947 6.739 -2.863
481 HD22 LEU 62 HD22 LEU 62 3.225 5.538 -2.709
482 HD23 LEU 62 HD23 LEU 62 2.012 5.696 -1.437
483 H VAL 63 H VAL 63 4.835 3.404 -4.583
484 HA VAL 63 HA VAL 63 6.388 4.124 -2.156
485 HB VAL 63 HB VAL 63 7.570 3.694 -4.929
486 HG11 VAL 63 HG11 VAL 63 8.995 4.999 -3.425
487 HG12 VAL 63 HG12 VAL 63 9.713 3.415 -3.713
488 HG13 VAL 63 HG13 VAL 63 8.886 3.743 -2.187
489 HG21 VAL 63 HG21 VAL 63 7.342 1.611 -2.720
490 HG22 VAL 63 HG22 VAL 63 8.273 1.426 -4.208
491 HG23 VAL 63 HG23 VAL 63 6.519 1.575 -4.283
492 H LEU 64 H LEU 64 7.343 6.151 -2.006
493 HA LEU 64 HA LEU 64 6.504 8.255 -3.903
494 HB2 LEU 64 HB2 LEU 64 5.376 7.855 -1.349
495 HB3 LEU 64 HB3 LEU 64 6.541 9.122 -1.059
496 HG LEU 64 HG LEU 64 4.457 10.202 -1.460
497 HD11 LEU 64 HD11 LEU 64 5.990 10.411 -4.061
498 HD12 LEU 64 HD12 LEU 64 6.343 11.291 -2.573
499 HD13 LEU 64 HD13 LEU 64 4.826 11.580 -3.421
500 HD21 LEU 64 HD21 LEU 64 3.032 9.814 -3.422
501 HD22 LEU 64 HD22 LEU 64 3.232 8.354 -2.458
502 HD23 LEU 64 HD23 LEU 64 4.124 8.537 -3.971
503 HA PRO 65 HA PRO 65 11.051 9.058 -3.600
504 HB2 PRO 65 HB2 PRO 65 10.247 11.401 -5.315
505 HB3 PRO 65 HB3 PRO 65 11.528 10.204 -5.572
506 HG2 PRO 65 HG2 PRO 65 9.272 10.083 -6.991
507 HG3 PRO 65 HG3 PRO 65 10.034 8.595 -6.393
508 HD2 PRO 65 HD2 PRO 65 7.643 10.066 -5.298
509 HD3 PRO 65 HD3 PRO 65 7.895 8.320 -5.510
510 H ALA 66 H ALA 66 8.905 11.936 -3.681
511 HA ALA 66 HA ALA 66 10.153 12.977 -1.188
512 HB1 ALA 66 HB1 ALA 66 9.648 15.252 -2.016
513 HB2 ALA 66 HB2 ALA 66 8.998 14.576 -3.514
514 HB3 ALA 66 HB3 ALA 66 10.713 14.397 -3.131
515 H THR 67 H THR 67 8.754 12.722 0.458
516 HA THR 67 HA THR 67 6.187 11.781 0.446
517 HB THR 67 HB THR 67 7.274 13.668 2.587
518 HG1 THR 67 HG1 THR 67 8.248 11.865 3.462
519 HG21 THR 67 HG21 THR 67 5.234 11.412 2.790
520 HG22 THR 67 HG22 THR 67 4.893 13.137 2.951
521 HG23 THR 67 HG23 THR 67 5.890 12.320 4.157
522 H GLN 68 H GLN 68 7.124 15.176 0.341
523 HA GLN 68 HA GLN 68 6.122 17.134 -0.044
524 HB2 GLN 68 HB2 GLN 68 3.806 15.485 -1.149
525 HB3 GLN 68 HB3 GLN 68 3.935 17.233 -1.296
526 HG2 GLN 68 HG2 GLN 68 5.927 15.267 -2.473
527 HG3 GLN 68 HG3 GLN 68 4.583 15.977 -3.356
528 HE21 GLN 68 HE21 GLN 68 5.947 16.942 -4.876
529 HE22 GLN 68 HE22 GLN 68 6.965 18.284 -4.506
530 HA PRO 69 HA PRO 69 3.618 18.003 3.639
531 HB2 PRO 69 HB2 PRO 69 3.447 20.813 2.723
532 HB3 PRO 69 HB3 PRO 69 4.308 20.148 4.113
533 HG2 PRO 69 HG2 PRO 69 5.617 21.132 1.950
534 HG3 PRO 69 HG3 PRO 69 6.256 19.774 2.901
535 HD2 PRO 69 HD2 PRO 69 4.728 19.701 0.287
536 HD3 PRO 69 HD3 PRO 69 6.218 18.838 0.745
537 H SER 70 H SER 70 2.107 16.775 1.721
538 HA SER 70 HA SER 70 -0.505 17.885 1.845
539 HB2 SER 70 HB2 SER 70 0.362 19.344 0.007
540 HB3 SER 70 HB3 SER 70 0.810 17.914 -0.923
541 HG SER 70 HG SER 70 -1.242 17.587 -1.429
542 H ASP 71 H ASP 71 1.599 15.757 -0.160
543 HA ASP 71 HA ASP 71 -0.487 13.823 -0.608
544 HB2 ASP 71 HB2 ASP 71 2.470 13.828 -1.293
545 HB3 ASP 71 HB3 ASP 71 1.414 12.467 -1.680
546 H GLY 72 H GLY 72 2.213 14.008 1.679
547 HA2 GLY 72 HA2 GLY 72 2.024 11.390 2.777
548 HA3 GLY 72 HA3 GLY 72 2.651 12.811 3.597
549 H GLY 73 H GLY 73 -0.137 10.776 3.115
550 HA2 GLY 73 HA2 GLY 73 -1.519 11.887 5.458
551 HA3 GLY 73 HA3 GLY 73 -2.353 12.044 3.917
552 H GLU 74 H GLU 74 -4.086 10.730 4.740
553 HA GLU 74 HA GLU 74 -3.503 8.006 5.668
554 HB2 GLU 74 HB2 GLU 74 -6.133 9.541 5.536
555 HB3 GLU 74 HB3 GLU 74 -5.915 7.945 6.267
556 HG2 GLU 74 HG2 GLU 74 -4.249 9.009 7.860
557 HG3 GLU 74 HG3 GLU 74 -4.726 10.575 7.208
558 H PHE 75 H PHE 75 -3.049 6.732 3.911
559 HA PHE 75 HA PHE 75 -4.607 6.843 1.460
560 HB2 PHE 75 HB2 PHE 75 -2.157 5.220 2.253
561 HB3 PHE 75 HB3 PHE 75 -2.956 5.050 0.695
562 HD1 PHE 75 HD2 PHE 75 -1.086 7.454 2.852
563 HD2 PHE 75 HD1 PHE 75 -2.520 6.585 -1.081
564 HE1 PHE 75 HE2 PHE 75 0.317 9.255 1.936
565 HE2 PHE 75 HE1 PHE 75 -1.112 8.384 -1.988
566 HZ PHE 75 HZ PHE 75 0.306 9.721 -0.486
567 H GLN 76 H GLN 76 -5.670 5.054 0.520
568 HA GLN 76 HA GLN 76 -6.440 2.801 2.296
569 HB2 GLN 76 HB2 GLN 76 -8.280 4.414 0.470
570 HB3 GLN 76 HB3 GLN 76 -8.751 2.927 1.289
571 HG2 GLN 76 HG2 GLN 76 -8.488 4.009 3.467
572 HG3 GLN 76 HG3 GLN 76 -7.919 5.487 2.685
573 HE21 GLN 76 HE21 GLN 76 -10.695 3.421 3.217
574 HE22 GLN 76 HE22 GLN 76 -11.894 4.579 2.780
575 H CYS 77 H CYS 77 -5.494 1.049 1.336
576 HA CYS 77 HA CYS 77 -5.476 0.675 -1.558
577 HB2 CYS 77 HB2 CYS 77 -3.544 -0.124 -0.254
578 HB3 CYS 77 HB3 CYS 77 -4.585 -1.203 0.669
579 HG CYS 77 HG CYS 77 -3.663 -3.077 -0.900
580 H VAL 78 H VAL 78 -7.536 0.305 -2.353
581 HA VAL 78 HA VAL 78 -9.376 -1.523 -0.961
582 HB VAL 78 HB VAL 78 -9.864 0.178 -3.463
583 HG11 VAL 78 HG11 VAL 78 -11.862 -1.297 -1.679
584 HG12 VAL 78 HG12 VAL 78 -11.419 -1.734 -3.331
585 HG13 VAL 78 HG13 VAL 78 -12.279 -0.226 -3.021
586 HG21 VAL 78 HG21 VAL 78 -9.385 1.609 -1.511
587 HG22 VAL 78 HG22 VAL 78 -10.614 0.771 -0.561
588 HG23 VAL 78 HG23 VAL 78 -11.087 1.733 -1.964
589 H ALA 79 H ALA 79 -8.784 -3.627 -1.378
590 HA ALA 79 HA ALA 79 -7.729 -4.524 -3.930
591 HB1 ALA 79 HB1 ALA 79 -8.507 -6.153 -1.487
592 HB2 ALA 79 HB2 ALA 79 -6.911 -5.474 -1.804
593 HB3 ALA 79 HB3 ALA 79 -7.557 -6.725 -2.865
594 H GLY 80 H GLY 80 -10.684 -5.222 -2.059
595 HA2 GLY 80 HA2 GLY 80 -12.458 -5.445 -4.235
596 HA3 GLY 80 HA3 GLY 80 -11.863 -7.062 -3.864
597 H ASP 81 H ASP 81 -12.060 -7.759 -1.549
598 HA ASP 81 HA ASP 81 -14.645 -7.231 -0.422
599 HB2 ASP 81 HB2 ASP 81 -12.238 -8.793 0.603
600 HB3 ASP 81 HB3 ASP 81 -13.752 -8.688 1.497
601 H GLU 82 H GLU 82 -11.322 -6.348 0.559
602 HA GLU 82 HA GLU 82 -12.406 -4.610 2.719
603 HB2 GLU 82 HB2 GLU 82 -9.798 -6.189 2.693
604 HB3 GLU 82 HB3 GLU 82 -10.330 -5.121 3.992
605 HG2 GLU 82 HG2 GLU 82 -12.273 -6.594 4.405
606 HG3 GLU 82 HG3 GLU 82 -11.745 -7.657 3.100
607 H CYS 83 H CYS 83 -10.828 -2.928 3.476
608 HA CYS 83 HA CYS 83 -9.049 -1.806 1.401
609 HB2 CYS 83 HB2 CYS 83 -9.876 0.485 1.906
610 HB3 CYS 83 HB3 CYS 83 -11.151 -0.536 1.251
611 HG CYS 83 HG CYS 83 -10.951 -0.337 4.624
612 H ALA 84 H ALA 84 -7.063 -1.376 2.216
613 HA ALA 84 HA ALA 84 -6.583 -1.619 5.107
614 HB1 ALA 84 HB1 ALA 84 -4.619 -1.642 2.786
615 HB2 ALA 84 HB2 ALA 84 -5.305 -3.065 3.571
616 HB3 ALA 84 HB3 ALA 84 -4.235 -1.993 4.476
617 H TYR 85 H TYR 85 -6.194 0.134 6.347
618 HA TYR 85 HA TYR 85 -5.783 2.774 5.135
619 HB2 TYR 85 HB2 TYR 85 -6.534 1.852 7.930
620 HB3 TYR 85 HB3 TYR 85 -6.058 3.517 7.621
621 HD1 TYR 85 HD1 TYR 85 -8.446 0.959 6.170
622 HD2 TYR 85 HD2 TYR 85 -7.793 5.043 7.268
623 HE1 TYR 85 HE1 TYR 85 -10.756 1.511 5.521
624 HE2 TYR 85 HE2 TYR 85 -10.098 5.587 6.623
625 HH TYR 85 HH TYR 85 -11.859 4.735 5.187
626 H PHE 86 H PHE 86 -3.824 3.644 4.943
627 HA PHE 86 HA PHE 86 -1.680 3.073 6.920
628 HB2 PHE 86 HB2 PHE 86 -1.364 4.037 4.031
629 HB3 PHE 86 HB3 PHE 86 -0.057 3.665 5.150
630 HD1 PHE 86 HD2 PHE 86 0.398 1.285 5.792
631 HD2 PHE 86 HD1 PHE 86 -2.489 2.283 2.792
632 HE1 PHE 86 HE2 PHE 86 0.426 -1.038 4.984
633 HE2 PHE 86 HE1 PHE 86 -2.456 -0.046 1.997
634 HZ PHE 86 HZ PHE 86 -0.998 -1.705 3.093
635 H THR 87 H THR 87 -1.735 4.776 8.357
636 HA THR 87 HA THR 87 -2.474 7.481 7.473
637 HB THR 87 HB THR 87 -1.941 6.409 10.285
638 HG1 THR 87 HG1 THR 87 -4.418 7.099 9.039
639 HG21 THR 87 HG21 THR 87 -1.529 8.863 10.168
640 HG22 THR 87 HG22 THR 87 -2.981 8.499 11.100
641 HG23 THR 87 HG23 THR 87 -3.127 9.092 9.445
642 H VAL 88 H VAL 88 -0.764 8.412 6.446
643 HA VAL 88 HA VAL 88 1.966 8.133 7.456
644 HB VAL 88 HB VAL 88 0.951 9.619 4.989
645 HG11 VAL 88 HG11 VAL 88 3.318 9.642 4.241
646 HG12 VAL 88 HG12 VAL 88 3.810 8.933 5.781
647 HG13 VAL 88 HG13 VAL 88 3.095 10.546 5.740
648 HG21 VAL 88 HG21 VAL 88 2.240 6.864 5.184
649 HG22 VAL 88 HG22 VAL 88 1.822 7.699 3.686
650 HG23 VAL 88 HG23 VAL 88 0.548 7.197 4.799
651 H THR 89 H THR 89 2.575 9.415 9.036
652 HA THR 89 HA THR 89 1.353 12.065 9.491
653 HB THR 89 HB THR 89 2.294 11.902 11.766
654 HG1 THR 89 HG1 THR 89 4.209 10.741 11.353
655 HG21 THR 89 HG21 THR 89 1.052 9.942 12.625
656 HG22 THR 89 HG22 THR 89 0.932 9.291 10.989
657 HG23 THR 89 HG23 THR 89 0.108 10.796 11.402
658 H ILE 90 H ILE 90 2.532 13.924 9.018
659 HA ILE 90 HA ILE 90 5.407 13.642 8.324
660 HB ILE 90 HB ILE 90 3.582 16.000 7.681
661 HG12 ILE 90 HG12 ILE 90 4.413 13.704 5.829
662 HG13 ILE 90 HG13 ILE 90 2.810 13.897 6.536
663 HG21 ILE 90 HG21 ILE 90 6.352 15.261 6.621
664 HG22 ILE 90 HG22 ILE 90 5.972 16.599 7.708
665 HG23 ILE 90 HG23 ILE 90 5.372 16.616 6.050
666 HD11 ILE 90 HD11 ILE 90 2.861 14.630 4.231
667 HD12 ILE 90 HD12 ILE 90 4.127 15.797 4.595
668 HD13 ILE 90 HD13 ILE 90 2.517 15.989 5.298
Start of MODEL 5
1 H HIS 1 H1 HIS 1 -19.371 -13.686 -2.582
2 HA HIS 1 HA HIS 1 -20.062 -15.676 -1.431
3 HB2 HIS 1 HB2 HIS 1 -19.110 -17.109 -3.953
4 HB3 HIS 1 HB3 HIS 1 -19.580 -17.905 -2.454
5 HD1 HIS 1 HD1 HIS 1 -22.144 -17.880 -1.851
6 HD2 HIS 1 HD2 HIS 1 -21.235 -16.352 -5.611
7 HE1 HIS 1 HE1 HIS 1 -24.322 -17.778 -3.082
8 HE2 HIS 1 HE2 HIS 1 -23.774 -16.674 -5.267
9 H MET 2 H MET 2 -17.207 -15.881 -3.648
10 HA MET 2 HA MET 2 -15.402 -15.837 -1.279
11 HB2 MET 2 HB2 MET 2 -15.005 -17.385 -3.879
12 HB3 MET 2 HB3 MET 2 -13.823 -17.276 -2.581
13 HG2 MET 2 HG2 MET 2 -15.362 -18.441 -1.069
14 HG3 MET 2 HG3 MET 2 -16.571 -18.523 -2.353
15 HE1 MET 2 HE1 MET 2 -15.549 -21.126 -0.733
16 HE2 MET 2 HE2 MET 2 -15.389 -22.264 -2.069
17 HE3 MET 2 HE3 MET 2 -16.769 -21.169 -2.011
18 HA PRO 3 HA PRO 3 -14.083 -12.266 -3.938
19 HB2 PRO 3 HB2 PRO 3 -14.507 -10.251 -2.223
20 HB3 PRO 3 HB3 PRO 3 -15.865 -11.063 -3.014
21 HG2 PRO 3 HG2 PRO 3 -14.892 -11.311 -0.194
22 HG3 PRO 3 HG3 PRO 3 -16.546 -11.408 -0.827
23 HD2 PRO 3 HD2 PRO 3 -14.798 -13.597 -0.214
24 HD3 PRO 3 HD3 PRO 3 -16.391 -13.685 -0.993
25 H VAL 4 H VAL 4 -12.387 -10.509 -3.533
26 HA VAL 4 HA VAL 4 -9.999 -11.804 -2.567
27 HB VAL 4 HB VAL 4 -9.847 -10.577 -4.630
28 HG11 VAL 4 HG11 VAL 4 -10.607 -8.060 -3.108
29 HG12 VAL 4 HG12 VAL 4 -11.607 -8.908 -4.286
30 HG13 VAL 4 HG13 VAL 4 -10.113 -8.131 -4.802
31 HG21 VAL 4 HG21 VAL 4 -7.873 -9.145 -4.206
32 HG22 VAL 4 HG22 VAL 4 -7.798 -10.633 -3.263
33 HG23 VAL 4 HG23 VAL 4 -8.254 -9.119 -2.483
34 H HIS 5 H HIS 5 -8.955 -11.553 -0.719
35 HA HIS 5 HA HIS 5 -9.717 -9.447 1.226
36 HB2 HIS 5 HB2 HIS 5 -8.564 -12.191 1.907
37 HB3 HIS 5 HB3 HIS 5 -9.271 -11.021 3.021
38 HD1 HIS 5 HD1 HIS 5 -11.981 -10.519 2.359
39 HD2 HIS 5 HD2 HIS 5 -10.296 -14.164 1.271
40 HE1 HIS 5 HE1 HIS 5 -13.913 -12.050 1.918
41 HE2 HIS 5 HE2 HIS 5 -12.876 -14.204 1.147
42 H ILE 6 H ILE 6 -8.039 -8.518 2.487
43 HA ILE 6 HA ILE 6 -5.347 -8.562 1.302
44 HB ILE 6 HB ILE 6 -6.639 -6.642 3.298
45 HG12 ILE 6 HG12 ILE 6 -5.837 -6.252 0.370
46 HG13 ILE 6 HG13 ILE 6 -7.484 -6.461 0.954
47 HG21 ILE 6 HG21 ILE 6 -3.859 -6.490 2.058
48 HG22 ILE 6 HG22 ILE 6 -4.223 -6.795 3.757
49 HG23 ILE 6 HG23 ILE 6 -4.613 -5.232 3.043
50 HD11 ILE 6 HD11 ILE 6 -7.314 -4.349 2.176
51 HD12 ILE 6 HD12 ILE 6 -7.017 -4.152 0.450
52 HD13 ILE 6 HD13 ILE 6 -5.664 -4.141 1.578
53 H VAL 7 H VAL 7 -3.985 -9.992 2.157
54 HA VAL 7 HA VAL 7 -4.262 -11.073 4.833
55 HB VAL 7 HB VAL 7 -2.281 -12.481 4.253
56 HG11 VAL 7 HG11 VAL 7 -3.377 -13.832 2.501
57 HG12 VAL 7 HG12 VAL 7 -4.461 -12.490 2.129
58 HG13 VAL 7 HG13 VAL 7 -4.541 -13.279 3.705
59 HG21 VAL 7 HG21 VAL 7 -2.320 -11.018 1.575
60 HG22 VAL 7 HG22 VAL 7 -1.345 -12.442 1.948
61 HG23 VAL 7 HG23 VAL 7 -1.044 -10.924 2.793
62 H ASP 8 H ASP 8 -2.462 -8.491 3.388
63 HA ASP 8 HA ASP 8 -1.489 -7.605 5.950
64 HB2 ASP 8 HB2 ASP 8 0.335 -9.140 5.486
65 HB3 ASP 8 HB3 ASP 8 0.506 -8.531 3.841
66 HA PRO 9 HA PRO 9 -1.511 -5.978 6.898
67 HB2 PRO 9 HB2 PRO 9 -2.223 -3.505 7.647
68 HB3 PRO 9 HB3 PRO 9 -0.569 -3.862 7.132
69 HG2 PRO 9 HG2 PRO 9 -2.781 -2.515 5.614
70 HG3 PRO 9 HG3 PRO 9 -1.047 -2.140 5.637
71 HD2 PRO 9 HD2 PRO 9 -2.377 -3.664 3.663
72 HD3 PRO 9 HD3 PRO 9 -0.618 -3.611 3.915
73 H ARG 10 H ARG 10 -3.245 -7.017 7.667
74 HA ARG 10 HA ARG 10 -5.989 -6.524 6.978
75 HB2 ARG 10 HB2 ARG 10 -5.377 -8.745 7.632
76 HB3 ARG 10 HB3 ARG 10 -4.555 -8.192 9.078
77 HG2 ARG 10 HG2 ARG 10 -6.574 -9.368 9.672
78 HG3 ARG 10 HG3 ARG 10 -6.728 -7.673 10.120
79 HD2 ARG 10 HD2 ARG 10 -8.102 -7.297 8.061
80 HD3 ARG 10 HD3 ARG 10 -8.001 -9.031 7.717
81 HE ARG 10 HE ARG 10 -8.983 -8.991 10.237
82 HH11 ARG 10 HH11 ARG 10 -10.062 -7.370 7.367
83 HH12 ARG 10 HH12 ARG 10 -11.703 -7.351 7.899
84 HH21 ARG 10 HH21 ARG 10 -11.087 -8.916 10.869
85 HH22 ARG 10 HH22 ARG 10 -12.277 -8.209 9.835
86 H GLU 11 H GLU 11 -3.800 -4.933 9.044
87 HA GLU 11 HA GLU 11 -5.895 -3.716 10.758
88 HB2 GLU 11 HB2 GLU 11 -4.056 -3.317 12.387
89 HB3 GLU 11 HB3 GLU 11 -4.302 -5.025 12.042
90 HG2 GLU 11 HG2 GLU 11 -2.349 -4.970 10.492
91 HG3 GLU 11 HG3 GLU 11 -2.078 -3.280 10.931
92 H HIS 12 H HIS 12 -4.926 -1.523 11.695
93 HA HIS 12 HA HIS 12 -4.475 0.298 9.426
94 HB2 HIS 12 HB2 HIS 12 -5.218 0.861 12.333
95 HB3 HIS 12 HB3 HIS 12 -5.087 2.082 11.073
96 HD1 HIS 12 HD1 HIS 12 -7.333 2.788 10.315
97 HD2 HIS 12 HD2 HIS 12 -7.295 -1.240 11.355
98 HE1 HIS 12 HE1 HIS 12 -9.684 1.983 9.986
99 HE2 HIS 12 HE2 HIS 12 -9.636 -0.454 10.599
100 H VAL 13 H VAL 13 -2.421 0.862 8.991
101 HA VAL 13 HA VAL 13 -0.293 0.719 11.037
102 HB VAL 13 HB VAL 13 -0.126 0.993 7.993
103 HG11 VAL 13 HG11 VAL 13 2.300 0.558 8.217
104 HG12 VAL 13 HG12 VAL 13 2.151 0.587 9.975
105 HG13 VAL 13 HG13 VAL 13 1.834 2.048 9.039
106 HG21 VAL 13 HG21 VAL 13 0.647 -1.360 8.007
107 HG22 VAL 13 HG22 VAL 13 -0.973 -1.215 8.686
108 HG23 VAL 13 HG23 VAL 13 0.412 -1.437 9.756
109 H PHE 14 H PHE 14 0.435 2.577 11.980
110 HA PHE 14 HA PHE 14 -0.098 5.208 10.810
111 HB2 PHE 14 HB2 PHE 14 -0.329 4.871 13.289
112 HB3 PHE 14 HB3 PHE 14 1.395 4.520 13.390
113 HD1 PHE 14 HD1 PHE 14 -1.101 7.169 12.638
114 HD2 PHE 14 HD2 PHE 14 3.024 6.329 13.403
115 HE1 PHE 14 HE1 PHE 14 -0.644 9.575 12.853
116 HE2 PHE 14 HE2 PHE 14 3.468 8.740 13.624
117 HZ PHE 14 HZ PHE 14 1.635 10.363 13.346
118 H VAL 15 H VAL 15 1.499 6.608 10.036
119 HA VAL 15 HA VAL 15 4.173 5.473 9.432
120 HB VAL 15 HB VAL 15 2.350 6.941 7.463
121 HG11 VAL 15 HG11 VAL 15 4.696 7.523 7.055
122 HG12 VAL 15 HG12 VAL 15 4.090 6.495 5.759
123 HG13 VAL 15 HG13 VAL 15 5.138 5.815 7.005
124 HG21 VAL 15 HG21 VAL 15 3.232 4.024 7.434
125 HG22 VAL 15 HG22 VAL 15 2.246 4.820 6.205
126 HG23 VAL 15 HG23 VAL 15 1.616 4.609 7.837
127 H HIS 16 H HIS 16 5.752 6.817 10.122
128 HA HIS 16 HA HIS 16 5.429 9.694 10.472
129 HB2 HIS 16 HB2 HIS 16 6.889 8.387 12.003
130 HB3 HIS 16 HB3 HIS 16 7.906 7.910 10.649
131 HD1 HIS 16 HD1 HIS 16 9.483 9.775 9.635
132 HD2 HIS 16 HD2 HIS 16 7.364 10.956 13.016
133 HE1 HIS 16 HE1 HIS 16 10.587 11.875 10.424
134 HE2 HIS 16 HE2 HIS 16 9.180 12.659 12.344
135 H ALA 17 H ALA 17 5.979 11.244 8.924
136 HA ALA 17 HA ALA 17 7.603 10.469 6.581
137 HB1 ALA 17 HB1 ALA 17 4.821 11.664 6.345
138 HB2 ALA 17 HB2 ALA 17 5.271 10.000 5.968
139 HB3 ALA 17 HB3 ALA 17 5.927 11.327 5.008
140 H ILE 18 H ILE 18 8.993 12.011 6.018
141 HA ILE 18 HA ILE 18 8.336 14.889 6.392
142 HB ILE 18 HB ILE 18 11.116 13.604 6.444
143 HG12 ILE 18 HG12 ILE 18 9.568 14.912 8.734
144 HG13 ILE 18 HG13 ILE 18 9.831 13.183 8.539
145 HG21 ILE 18 HG21 ILE 18 12.015 15.838 7.007
146 HG22 ILE 18 HG22 ILE 18 10.405 16.539 6.839
147 HG23 ILE 18 HG23 ILE 18 11.217 15.850 5.434
148 HD11 ILE 18 HD11 ILE 18 11.975 15.250 9.031
149 HD12 ILE 18 HD12 ILE 18 12.236 13.514 8.839
150 HD13 ILE 18 HD13 ILE 18 11.308 14.121 10.209
151 H THR 19 H THR 19 9.087 16.269 4.619
152 HA THR 19 HA THR 19 8.693 15.408 1.999
153 HB THR 19 HB THR 19 9.798 17.566 1.295
154 HG1 THR 19 HG1 THR 19 10.079 18.738 3.666
155 HG21 THR 19 HG21 THR 19 8.166 19.063 2.368
156 HG22 THR 19 HG22 THR 19 7.831 17.846 3.602
157 HG23 THR 19 HG23 THR 19 7.399 17.538 1.917
158 H SER 20 H SER 20 11.616 15.213 3.892
159 HA SER 20 HA SER 20 13.363 14.665 1.591
160 HB2 SER 20 HB2 SER 20 15.191 14.700 3.282
161 HB3 SER 20 HB3 SER 20 14.209 16.164 3.344
162 HG SER 20 HG SER 20 14.671 15.245 5.426
163 H GLU 21 H GLU 21 11.332 12.780 3.502
164 HA GLU 21 HA GLU 21 13.115 10.449 3.700
165 HB2 GLU 21 HB2 GLU 21 10.318 10.896 4.817
166 HB3 GLU 21 HB3 GLU 21 11.225 9.396 4.998
167 HG2 GLU 21 HG2 GLU 21 13.020 10.746 6.166
168 HG3 GLU 21 HG3 GLU 21 11.907 12.109 6.161
169 H CYS 22 H CYS 22 12.717 8.459 2.780
170 HA CYS 22 HA CYS 22 10.833 8.288 0.532
171 HB2 CYS 22 HB2 CYS 22 13.027 6.361 1.402
172 HB3 CYS 22 HB3 CYS 22 12.030 6.186 -0.042
173 HG CYS 22 HG CYS 22 13.526 9.137 0.043
174 H VAL 23 H VAL 23 8.828 7.591 1.031
175 HA VAL 23 HA VAL 23 8.418 5.561 3.165
176 HB VAL 23 HB VAL 23 6.526 7.728 2.129
177 HG11 VAL 23 HG11 VAL 23 5.217 5.712 2.612
178 HG12 VAL 23 HG12 VAL 23 4.897 6.948 3.827
179 HG13 VAL 23 HG13 VAL 23 5.953 5.586 4.210
180 HG21 VAL 23 HG21 VAL 23 6.669 8.637 4.433
181 HG22 VAL 23 HG22 VAL 23 8.261 8.570 3.679
182 HG23 VAL 23 HG23 VAL 23 7.803 7.358 4.875
183 H MET 24 H MET 24 8.260 3.574 2.232
184 HA MET 24 HA MET 24 6.624 3.213 -0.218
185 HB2 MET 24 HB2 MET 24 8.911 2.271 -0.353
186 HB3 MET 24 HB3 MET 24 8.612 1.295 1.078
187 HG2 MET 24 HG2 MET 24 6.794 0.108 -0.174
188 HG3 MET 24 HG3 MET 24 7.242 1.021 -1.614
189 HE1 MET 24 HE1 MET 24 10.840 -0.383 -2.373
190 HE2 MET 24 HE2 MET 24 10.459 1.070 -1.452
191 HE3 MET 24 HE3 MET 24 9.556 0.695 -2.919
192 H LEU 25 H LEU 25 4.544 3.048 0.467
193 HA LEU 25 HA LEU 25 3.687 1.413 2.715
194 HB2 LEU 25 HB2 LEU 25 2.025 2.676 0.498
195 HB3 LEU 25 HB3 LEU 25 1.429 2.090 2.045
196 HG LEU 25 HG LEU 25 3.237 4.503 1.627
197 HD11 LEU 25 HD11 LEU 25 0.315 4.384 2.430
198 HD12 LEU 25 HD12 LEU 25 0.951 4.924 0.874
199 HD13 LEU 25 HD13 LEU 25 1.310 5.841 2.333
200 HD21 LEU 25 HD21 LEU 25 2.044 3.445 4.212
201 HD22 LEU 25 HD22 LEU 25 2.940 4.954 4.025
202 HD23 LEU 25 HD23 LEU 25 3.751 3.414 3.762
203 H ALA 26 H ALA 26 3.350 -0.807 2.543
204 HA ALA 26 HA ALA 26 2.988 -1.991 -0.167
205 HB1 ALA 26 HB1 ALA 26 4.258 -3.291 2.265
206 HB2 ALA 26 HB2 ALA 26 5.123 -2.625 0.882
207 HB3 ALA 26 HB3 ALA 26 4.072 -4.026 0.670
208 H CYS 27 H CYS 27 1.210 -3.126 -0.576
209 HA CYS 27 HA CYS 27 -0.433 -4.276 1.602
210 HB2 CYS 27 HB2 CYS 27 -1.538 -2.223 0.748
211 HB3 CYS 27 HB3 CYS 27 -1.538 -2.902 -0.879
212 HG CYS 27 HG CYS 27 -3.016 -4.611 1.652
213 H GLU 28 H GLU 28 -1.441 -6.257 1.105
214 HA GLU 28 HA GLU 28 -0.616 -7.671 -1.325
215 HB2 GLU 28 HB2 GLU 28 1.229 -7.867 0.380
216 HB3 GLU 28 HB3 GLU 28 0.093 -8.643 1.479
217 HG2 GLU 28 HG2 GLU 28 -0.213 -10.468 -0.195
218 HG3 GLU 28 HG3 GLU 28 1.007 -9.706 -1.217
219 H VAL 29 H VAL 29 -1.989 -9.298 -1.894
220 HA VAL 29 HA VAL 29 -4.375 -9.798 -0.194
221 HB VAL 29 HB VAL 29 -5.636 -10.110 -2.373
222 HG11 VAL 29 HG11 VAL 29 -4.427 -7.358 -1.924
223 HG12 VAL 29 HG12 VAL 29 -5.832 -8.026 -1.090
224 HG13 VAL 29 HG13 VAL 29 -5.910 -7.698 -2.821
225 HG21 VAL 29 HG21 VAL 29 -4.676 -9.162 -4.463
226 HG22 VAL 29 HG22 VAL 29 -3.734 -10.539 -3.893
227 HG23 VAL 29 HG23 VAL 29 -3.135 -8.900 -3.637
228 H ASP 30 H ASP 30 -5.471 -11.856 -0.503
229 HA ASP 30 HA ASP 30 -3.696 -14.131 -0.830
230 HB2 ASP 30 HB2 ASP 30 -5.493 -15.462 0.032
231 HB3 ASP 30 HB3 ASP 30 -5.514 -13.966 0.948
232 H ARG 31 H ARG 31 -6.027 -12.438 -2.720
233 HA ARG 31 HA ARG 31 -6.102 -14.486 -4.860
234 HB2 ARG 31 HB2 ARG 31 -8.292 -13.813 -3.874
235 HB3 ARG 31 HB3 ARG 31 -7.957 -12.136 -4.254
236 HG2 ARG 31 HG2 ARG 31 -9.524 -12.915 -5.864
237 HG3 ARG 31 HG3 ARG 31 -7.978 -12.764 -6.703
238 HD2 ARG 31 HD2 ARG 31 -7.635 -15.184 -6.561
239 HD3 ARG 31 HD3 ARG 31 -9.121 -15.368 -5.619
240 HE ARG 31 HE ARG 31 -10.014 -14.178 -7.862
241 HH11 ARG 31 HH11 ARG 31 -7.985 -16.958 -7.484
242 HH12 ARG 31 HH12 ARG 31 -8.598 -17.712 -8.911
243 HH21 ARG 31 HH21 ARG 31 -10.759 -15.171 -9.670
244 HH22 ARG 31 HH22 ARG 31 -10.135 -16.714 -10.130
245 H GLU 32 H GLU 32 -4.125 -13.936 -5.898
246 HA GLU 32 HA GLU 32 -3.275 -11.259 -6.399
247 HB2 GLU 32 HB2 GLU 32 -1.510 -12.298 -7.849
248 HB3 GLU 32 HB3 GLU 32 -1.588 -12.941 -6.222
249 HG2 GLU 32 HG2 GLU 32 -1.181 -14.810 -7.593
250 HG3 GLU 32 HG3 GLU 32 -2.887 -14.917 -7.185
251 H ASP 33 H ASP 33 -5.395 -13.369 -8.149
252 HA ASP 33 HA ASP 33 -5.468 -12.181 -10.694
253 HB2 ASP 33 HB2 ASP 33 -6.561 -14.330 -10.132
254 HB3 ASP 33 HB3 ASP 33 -7.710 -13.488 -9.097
255 H ALA 34 H ALA 34 -6.794 -11.085 -7.637
256 HA ALA 34 HA ALA 34 -7.959 -8.687 -8.940
257 HB1 ALA 34 HB1 ALA 34 -9.512 -8.540 -7.033
258 HB2 ALA 34 HB2 ALA 34 -8.831 -10.026 -6.363
259 HB3 ALA 34 HB3 ALA 34 -9.696 -10.064 -7.901
260 HA PRO 35 HA PRO 35 -4.438 -7.064 -6.398
261 HB2 PRO 35 HB2 PRO 35 -3.770 -4.991 -8.006
262 HB3 PRO 35 HB3 PRO 35 -3.340 -6.656 -8.418
263 HG2 PRO 35 HG2 PRO 35 -5.647 -4.993 -9.432
264 HG3 PRO 35 HG3 PRO 35 -4.508 -6.003 -10.352
265 HD2 PRO 35 HD2 PRO 35 -7.014 -6.860 -9.622
266 HD3 PRO 35 HD3 PRO 35 -5.639 -7.966 -9.835
267 H VAL 36 H VAL 36 -4.078 -4.985 -5.269
268 HA VAL 36 HA VAL 36 -6.543 -3.643 -4.513
269 HB VAL 36 HB VAL 36 -5.345 -2.541 -2.760
270 HG11 VAL 36 HG11 VAL 36 -4.154 -5.320 -3.046
271 HG12 VAL 36 HG12 VAL 36 -5.734 -4.932 -2.360
272 HG13 VAL 36 HG13 VAL 36 -4.265 -4.392 -1.547
273 HG21 VAL 36 HG21 VAL 36 -2.866 -2.555 -2.515
274 HG22 VAL 36 HG22 VAL 36 -3.381 -1.707 -3.973
275 HG23 VAL 36 HG23 VAL 36 -2.726 -3.340 -4.091
276 H ARG 37 H ARG 37 -6.809 -1.363 -4.542
277 HA ARG 37 HA ARG 37 -5.150 0.213 -6.416
278 HB2 ARG 37 HB2 ARG 37 -7.259 1.420 -7.098
279 HB3 ARG 37 HB3 ARG 37 -7.226 -0.272 -7.577
280 HG2 ARG 37 HG2 ARG 37 -8.622 -0.753 -5.494
281 HG3 ARG 37 HG3 ARG 37 -8.834 0.989 -5.347
282 HD2 ARG 37 HD2 ARG 37 -10.767 0.029 -6.462
283 HD3 ARG 37 HD3 ARG 37 -9.869 1.013 -7.619
284 HE ARG 37 HE ARG 37 -9.454 -0.855 -8.853
285 HH11 ARG 37 HH11 ARG 37 -10.449 -1.975 -5.712
286 HH12 ARG 37 HH12 ARG 37 -10.537 -3.620 -6.226
287 HH21 ARG 37 HH21 ARG 37 -9.582 -2.958 -9.460
288 HH22 ARG 37 HH22 ARG 37 -10.067 -4.163 -8.325
289 H TRP 38 H TRP 38 -4.403 2.068 -5.538
290 HA TRP 38 HA TRP 38 -4.783 2.450 -2.665
291 HB2 TRP 38 HB2 TRP 38 -2.837 3.642 -4.692
292 HB3 TRP 38 HB3 TRP 38 -2.847 4.089 -2.988
293 HD1 TRP 38 HD1 TRP 38 -1.906 1.138 -5.297
294 HE1 TRP 38 HE1 TRP 38 -0.429 -0.484 -3.947
295 HE3 TRP 38 HE3 TRP 38 -2.367 3.272 -0.683
296 HZ2 TRP 38 HZ2 TRP 38 0.422 -0.818 -1.280
297 HZ3 TRP 38 HZ3 TRP 38 -1.201 2.247 1.220
298 HH2 TRP 38 HH2 TRP 38 0.172 0.237 0.926
299 H TYR 39 H TYR 39 -6.019 4.031 -1.799
300 HA TYR 39 HA TYR 39 -6.845 6.368 -3.436
301 HB2 TYR 39 HB2 TYR 39 -8.351 4.796 -1.310
302 HB3 TYR 39 HB3 TYR 39 -8.794 6.462 -1.673
303 HD1 TYR 39 HD1 TYR 39 -8.279 3.146 -3.390
304 HD2 TYR 39 HD2 TYR 39 -10.341 6.882 -3.404
305 HE1 TYR 39 HE1 TYR 39 -9.643 2.399 -5.286
306 HE2 TYR 39 HE2 TYR 39 -11.708 6.127 -5.303
307 HH TYR 39 HH TYR 39 -11.438 4.435 -7.199
308 H LYS 40 H LYS 40 -6.247 8.360 -2.704
309 HA LYS 40 HA LYS 40 -4.533 8.553 -0.370
310 HB2 LYS 40 HB2 LYS 40 -3.968 9.750 -2.441
311 HB3 LYS 40 HB3 LYS 40 -5.463 10.671 -2.352
312 HG2 LYS 40 HG2 LYS 40 -4.694 11.839 -0.359
313 HG3 LYS 40 HG3 LYS 40 -3.254 10.817 -0.269
314 HD2 LYS 40 HD2 LYS 40 -3.881 12.688 -2.588
315 HD3 LYS 40 HD3 LYS 40 -2.849 13.118 -1.223
316 HE2 LYS 40 HE2 LYS 40 -1.298 11.296 -1.810
317 HE3 LYS 40 HE3 LYS 40 -2.330 10.842 -3.174
318 HZ1 LYS 40 HZ1 LYS 40 -1.899 12.983 -4.177
319 HZ2 LYS 40 HZ2 LYS 40 -0.431 12.208 -3.832
320 HZ3 LYS 40 HZ3 LYS 40 -0.980 13.463 -2.842
321 H ASP 41 H ASP 41 -7.665 9.891 -1.350
322 HA ASP 41 HA ASP 41 -8.912 9.625 1.142
323 HB2 ASP 41 HB2 ASP 41 -7.411 11.627 1.689
324 HB3 ASP 41 HB3 ASP 41 -8.308 12.548 0.490
325 H GLY 42 H GLY 42 -10.470 8.688 -0.203
326 HA2 GLY 42 HA2 GLY 42 -12.559 8.746 -1.244
327 HA3 GLY 42 HA3 GLY 42 -12.380 10.471 -1.519
328 H GLN 43 H GLN 43 -9.965 10.497 -2.959
329 HA GLN 43 HA GLN 43 -10.643 9.096 -5.479
330 HB2 GLN 43 HB2 GLN 43 -10.580 11.597 -5.625
331 HB3 GLN 43 HB3 GLN 43 -8.894 11.575 -5.118
332 HG2 GLN 43 HG2 GLN 43 -8.306 10.294 -7.162
333 HG3 GLN 43 HG3 GLN 43 -9.996 10.334 -7.663
334 HE21 GLN 43 HE21 GLN 43 -9.546 11.445 -9.584
335 HE22 GLN 43 HE22 GLN 43 -9.029 13.093 -9.609
336 H GLU 44 H GLU 44 -9.012 8.048 -6.648
337 HA GLU 44 HA GLU 44 -7.066 6.671 -5.078
338 HB2 GLU 44 HB2 GLU 44 -6.407 5.582 -7.313
339 HB3 GLU 44 HB3 GLU 44 -8.027 5.288 -6.711
340 HG2 GLU 44 HG2 GLU 44 -7.599 7.503 -8.707
341 HG3 GLU 44 HG3 GLU 44 -7.585 5.834 -9.261
342 H VAL 45 H VAL 45 -4.814 6.515 -5.447
343 HA VAL 45 HA VAL 45 -3.499 9.062 -5.725
344 HB VAL 45 HB VAL 45 -2.203 6.336 -5.260
345 HG11 VAL 45 HG11 VAL 45 -0.590 8.080 -5.913
346 HG12 VAL 45 HG12 VAL 45 -0.358 7.623 -4.226
347 HG13 VAL 45 HG13 VAL 45 -1.178 9.134 -4.623
348 HG21 VAL 45 HG21 VAL 45 -2.322 6.809 -2.843
349 HG22 VAL 45 HG22 VAL 45 -3.934 6.722 -3.554
350 HG23 VAL 45 HG23 VAL 45 -3.225 8.292 -3.167
351 H GLU 46 H GLU 46 -2.705 9.828 -7.586
352 HA GLU 46 HA GLU 46 -2.313 8.155 -9.942
353 HB2 GLU 46 HB2 GLU 46 -1.877 10.306 -11.095
354 HB3 GLU 46 HB3 GLU 46 -3.395 10.344 -10.204
355 HG2 GLU 46 HG2 GLU 46 -2.339 11.642 -8.403
356 HG3 GLU 46 HG3 GLU 46 -0.787 11.562 -9.234
357 H GLU 47 H GLU 47 -0.336 7.690 -10.884
358 HA GLU 47 HA GLU 47 2.117 7.964 -9.410
359 HB2 GLU 47 HB2 GLU 47 1.681 7.107 -12.299
360 HB3 GLU 47 HB3 GLU 47 3.181 6.924 -11.394
361 HG2 GLU 47 HG2 GLU 47 1.995 5.397 -9.815
362 HG3 GLU 47 HG3 GLU 47 0.543 5.543 -10.805
363 H SER 48 H SER 48 2.367 10.165 -9.098
364 HA SER 48 HA SER 48 2.509 12.113 -11.241
365 HB2 SER 48 HB2 SER 48 1.597 12.677 -8.984
366 HB3 SER 48 HB3 SER 48 3.179 12.373 -8.271
367 HG SER 48 HG SER 48 2.390 14.648 -9.009
368 H ASP 49 H ASP 49 4.604 13.754 -10.706
369 HA ASP 49 HA ASP 49 6.832 12.674 -11.983
370 HB2 ASP 49 HB2 ASP 49 6.730 15.077 -10.108
371 HB3 ASP 49 HB3 ASP 49 8.009 14.751 -11.278
372 H PHE 50 H PHE 50 6.212 12.982 -8.501
373 HA PHE 50 HA PHE 50 8.686 11.448 -7.877
374 HB2 PHE 50 HB2 PHE 50 7.232 13.553 -6.209
375 HB3 PHE 50 HB3 PHE 50 8.526 12.535 -5.584
376 HD1 PHE 50 HD2 PHE 50 7.735 15.316 -7.903
377 HD2 PHE 50 HD1 PHE 50 10.857 12.958 -6.171
378 HE1 PHE 50 HE2 PHE 50 9.409 16.933 -8.706
379 HE2 PHE 50 HE1 PHE 50 12.523 14.580 -6.985
380 HZ PHE 50 HZ PHE 50 11.803 16.566 -8.249
381 H VAL 51 H VAL 51 5.788 10.548 -8.488
382 HA VAL 51 HA VAL 51 5.505 8.754 -6.130
383 HB VAL 51 HB VAL 51 3.163 9.866 -7.752
384 HG11 VAL 51 HG11 VAL 51 1.720 8.816 -6.037
385 HG12 VAL 51 HG12 VAL 51 3.145 8.136 -5.247
386 HG13 VAL 51 HG13 VAL 51 2.708 7.617 -6.875
387 HG21 VAL 51 HG21 VAL 51 4.119 11.657 -6.382
388 HG22 VAL 51 HG22 VAL 51 4.044 10.639 -4.944
389 HG23 VAL 51 HG23 VAL 51 2.556 11.168 -5.729
390 H VAL 52 H VAL 52 5.735 6.651 -6.720
391 HA VAL 52 HA VAL 52 4.855 5.748 -9.403
392 HB VAL 52 HB VAL 52 6.889 4.200 -9.489
393 HG11 VAL 52 HG11 VAL 52 7.488 7.180 -9.623
394 HG12 VAL 52 HG12 VAL 52 6.770 6.209 -10.908
395 HG13 VAL 52 HG13 VAL 52 8.430 5.901 -10.398
396 HG21 VAL 52 HG21 VAL 52 7.580 4.313 -7.124
397 HG22 VAL 52 HG22 VAL 52 7.959 6.026 -7.296
398 HG23 VAL 52 HG23 VAL 52 8.905 4.822 -8.174
399 H LEU 53 H LEU 53 3.648 3.937 -9.361
400 HA LEU 53 HA LEU 53 3.397 2.360 -6.873
401 HB2 LEU 53 HB2 LEU 53 1.661 2.331 -9.382
402 HB3 LEU 53 HB3 LEU 53 1.338 1.437 -7.905
403 HG LEU 53 HG LEU 53 1.314 4.475 -8.157
404 HD11 LEU 53 HD11 LEU 53 -0.591 3.472 -9.326
405 HD12 LEU 53 HD12 LEU 53 -1.120 4.328 -7.880
406 HD13 LEU 53 HD13 LEU 53 -1.028 2.564 -7.874
407 HD21 LEU 53 HD21 LEU 53 0.390 4.490 -5.871
408 HD22 LEU 53 HD22 LEU 53 2.005 3.791 -5.910
409 HD23 LEU 53 HD23 LEU 53 0.597 2.738 -5.769
410 H GLU 54 H GLU 54 4.958 0.801 -6.844
411 HA GLU 54 HA GLU 54 5.654 -0.693 -9.296
412 HB2 GLU 54 HB2 GLU 54 7.023 -0.648 -6.572
413 HB3 GLU 54 HB3 GLU 54 7.577 -1.569 -7.968
414 HG2 GLU 54 HG2 GLU 54 7.778 0.661 -9.199
415 HG3 GLU 54 HG3 GLU 54 7.504 1.444 -7.643
416 H ASN 55 H ASN 55 4.582 -2.524 -9.651
417 HA ASN 55 HA ASN 55 3.397 -4.033 -7.383
418 HB2 ASN 55 HB2 ASN 55 2.420 -3.848 -10.263
419 HB3 ASN 55 HB3 ASN 55 1.622 -4.720 -8.958
420 HD21 ASN 55 HD21 ASN 55 2.100 -2.554 -6.977
421 HD22 ASN 55 HD22 ASN 55 1.000 -1.302 -7.407
422 H GLU 56 H GLU 56 3.510 -6.275 -7.373
423 HA GLU 56 HA GLU 56 4.563 -7.854 -9.536
424 HB2 GLU 56 HB2 GLU 56 6.695 -7.056 -8.576
425 HB3 GLU 56 HB3 GLU 56 6.212 -7.604 -6.977
426 HG2 GLU 56 HG2 GLU 56 7.834 -9.133 -8.003
427 HG3 GLU 56 HG3 GLU 56 6.298 -9.937 -7.706
428 H GLY 57 H GLY 57 2.966 -9.323 -9.508
429 HA2 GLY 57 HA2 GLY 57 1.554 -11.002 -8.873
430 HA3 GLY 57 HA3 GLY 57 2.713 -11.362 -7.613
431 HA PRO 58 HA PRO 58 -0.840 -10.032 -5.018
432 HB2 PRO 58 HB2 PRO 58 0.031 -11.056 -2.649
433 HB3 PRO 58 HB3 PRO 58 -0.673 -12.075 -3.912
434 HG2 PRO 58 HG2 PRO 58 2.234 -11.599 -3.262
435 HG3 PRO 58 HG3 PRO 58 1.405 -13.134 -3.601
436 HD2 PRO 58 HD2 PRO 58 2.863 -11.793 -5.492
437 HD3 PRO 58 HD3 PRO 58 1.456 -12.798 -5.906
438 H HIS 59 H HIS 59 2.577 -9.249 -4.672
439 HA HIS 59 HA HIS 59 2.281 -7.362 -2.472
440 HB2 HIS 59 HB2 HIS 59 4.645 -7.901 -4.321
441 HB3 HIS 59 HB3 HIS 59 4.699 -6.876 -2.891
442 HD1 HIS 59 HD1 HIS 59 5.321 -7.998 -0.765
443 HD2 HIS 59 HD2 HIS 59 4.157 -10.729 -3.665
444 HE1 HIS 59 HE1 HIS 59 5.928 -10.247 0.154
445 HE2 HIS 59 HE2 HIS 59 5.300 -11.878 -1.653
446 H ARG 60 H ARG 60 1.658 -5.269 -2.713
447 HA ARG 60 HA ARG 60 1.966 -3.872 -5.322
448 HB2 ARG 60 HB2 ARG 60 -0.453 -3.738 -3.461
449 HB3 ARG 60 HB3 ARG 60 -0.269 -2.839 -4.966
450 HG2 ARG 60 HG2 ARG 60 -0.444 -5.870 -4.725
451 HG3 ARG 60 HG3 ARG 60 -1.760 -4.800 -5.225
452 HD2 ARG 60 HD2 ARG 60 -0.606 -4.188 -7.237
453 HD3 ARG 60 HD3 ARG 60 0.890 -4.948 -6.695
454 HE ARG 60 HE ARG 60 -0.625 -7.085 -6.800
455 HH11 ARG 60 HH11 ARG 60 -0.696 -4.467 -9.067
456 HH12 ARG 60 HH12 ARG 60 -0.973 -5.509 -10.418
457 HH21 ARG 60 HH21 ARG 60 -0.988 -8.387 -8.556
458 HH22 ARG 60 HH22 ARG 60 -1.160 -7.691 -10.128
459 H ARG 61 H ARG 61 3.479 -2.346 -4.935
460 HA ARG 61 HA ARG 61 3.718 -1.058 -2.287
461 HB2 ARG 61 HB2 ARG 61 5.706 -1.237 -4.591
462 HB3 ARG 61 HB3 ARG 61 6.029 -0.487 -3.030
463 HG2 ARG 61 HG2 ARG 61 5.842 -2.646 -1.908
464 HG3 ARG 61 HG3 ARG 61 5.377 -3.428 -3.422
465 HD2 ARG 61 HD2 ARG 61 7.566 -2.965 -4.388
466 HD3 ARG 61 HD3 ARG 61 8.040 -2.036 -2.961
467 HE ARG 61 HE ARG 61 7.317 -4.704 -2.271
468 HH11 ARG 61 HH11 ARG 61 9.936 -2.908 -3.671
469 HH12 ARG 61 HH12 ARG 61 11.123 -4.036 -3.126
470 HH21 ARG 61 HH21 ARG 61 8.874 -6.116 -1.592
471 HH22 ARG 61 HH22 ARG 61 10.530 -5.824 -1.980
472 H LEU 62 H LEU 62 2.754 0.922 -2.166
473 HA LEU 62 HA LEU 62 2.983 2.920 -4.274
474 HB2 LEU 62 HB2 LEU 62 1.007 2.793 -2.748
475 HB3 LEU 62 HB3 LEU 62 2.035 3.189 -1.386
476 HG LEU 62 HG LEU 62 1.852 5.142 -3.704
477 HD11 LEU 62 HD11 LEU 62 -0.485 4.603 -3.206
478 HD12 LEU 62 HD12 LEU 62 -0.099 6.247 -2.704
479 HD13 LEU 62 HD13 LEU 62 -0.223 4.961 -1.497
480 HD21 LEU 62 HD21 LEU 62 2.204 6.840 -1.961
481 HD22 LEU 62 HD22 LEU 62 3.479 5.628 -1.917
482 HD23 LEU 62 HD23 LEU 62 2.188 5.586 -0.714
483 H VAL 63 H VAL 63 4.998 3.696 -4.619
484 HA VAL 63 HA VAL 63 6.909 3.960 -2.372
485 HB VAL 63 HB VAL 63 7.533 3.933 -5.361
486 HG11 VAL 63 HG11 VAL 63 9.869 3.503 -4.667
487 HG12 VAL 63 HG12 VAL 63 9.396 3.629 -2.971
488 HG13 VAL 63 HG13 VAL 63 9.278 5.037 -4.027
489 HG21 VAL 63 HG21 VAL 63 7.711 1.605 -3.405
490 HG22 VAL 63 HG22 VAL 63 8.258 1.586 -5.082
491 HG23 VAL 63 HG23 VAL 63 6.543 1.772 -4.718
492 H LEU 64 H LEU 64 7.301 5.944 -1.627
493 HA LEU 64 HA LEU 64 7.129 8.314 -3.401
494 HB2 LEU 64 HB2 LEU 64 5.874 7.827 -0.822
495 HB3 LEU 64 HB3 LEU 64 7.021 9.131 -0.623
496 HG LEU 64 HG LEU 64 4.870 10.095 -1.087
497 HD11 LEU 64 HD11 LEU 64 6.767 11.259 -2.092
498 HD12 LEU 64 HD12 LEU 64 5.321 11.446 -3.080
499 HD13 LEU 64 HD13 LEU 64 6.592 10.319 -3.578
500 HD21 LEU 64 HD21 LEU 64 4.741 8.390 -3.595
501 HD22 LEU 64 HD22 LEU 64 3.566 9.618 -3.114
502 HD23 LEU 64 HD23 LEU 64 3.780 8.175 -2.130
503 HA PRO 65 HA PRO 65 11.715 8.127 -2.529
504 HB2 PRO 65 HB2 PRO 65 12.254 10.092 -4.459
505 HB3 PRO 65 HB3 PRO 65 12.201 8.357 -4.769
506 HG2 PRO 65 HG2 PRO 65 10.032 10.409 -5.171
507 HG3 PRO 65 HG3 PRO 65 10.559 9.114 -6.266
508 HD2 PRO 65 HD2 PRO 65 8.361 8.789 -4.804
509 HD3 PRO 65 HD3 PRO 65 9.498 7.433 -4.984
510 H ALA 66 H ALA 66 9.794 11.107 -3.036
511 HA ALA 66 HA ALA 66 10.937 12.277 -0.565
512 HB1 ALA 66 HB1 ALA 66 10.988 14.502 -1.637
513 HB2 ALA 66 HB2 ALA 66 10.451 13.795 -3.163
514 HB3 ALA 66 HB3 ALA 66 12.027 13.366 -2.501
515 H THR 67 H THR 67 9.186 12.030 0.750
516 HA THR 67 HA THR 67 6.494 11.921 -0.214
517 HB THR 67 HB THR 67 7.346 12.102 2.711
518 HG1 THR 67 HG1 THR 67 8.450 10.356 2.071
519 HG21 THR 67 HG21 THR 67 5.302 10.764 3.120
520 HG22 THR 67 HG22 THR 67 4.922 10.793 1.397
521 HG23 THR 67 HG23 THR 67 4.897 12.289 2.331
522 H GLN 68 H GLN 68 6.015 13.878 -1.165
523 HA GLN 68 HA GLN 68 6.335 16.453 0.078
524 HB2 GLN 68 HB2 GLN 68 4.764 15.596 -2.390
525 HB3 GLN 68 HB3 GLN 68 5.048 17.273 -1.925
526 HG2 GLN 68 HG2 GLN 68 7.500 16.883 -2.157
527 HG3 GLN 68 HG3 GLN 68 7.163 15.242 -2.706
528 HE21 GLN 68 HE21 GLN 68 8.130 15.608 -4.707
529 HE22 GLN 68 HE22 GLN 68 7.417 16.598 -5.926
530 HA PRO 69 HA PRO 69 2.673 17.030 2.594
531 HB2 PRO 69 HB2 PRO 69 1.739 19.524 1.592
532 HB3 PRO 69 HB3 PRO 69 2.912 19.286 2.888
533 HG2 PRO 69 HG2 PRO 69 3.395 19.823 -0.034
534 HG3 PRO 69 HG3 PRO 69 4.261 20.458 1.384
535 HD2 PRO 69 HD2 PRO 69 5.338 18.520 -0.088
536 HD3 PRO 69 HD3 PRO 69 5.470 18.462 1.684
537 H SER 70 H SER 70 2.204 17.421 -0.903
538 HA SER 70 HA SER 70 -0.581 17.143 -1.129
539 HB2 SER 70 HB2 SER 70 -0.080 16.241 -3.438
540 HB3 SER 70 HB3 SER 70 0.765 17.742 -3.061
541 HG SER 70 HG SER 70 1.816 15.106 -3.146
542 H ASP 71 H ASP 71 1.923 14.652 -0.789
543 HA ASP 71 HA ASP 71 0.001 12.445 -0.910
544 HB2 ASP 71 HB2 ASP 71 3.037 12.425 -0.643
545 HB3 ASP 71 HB3 ASP 71 2.022 11.002 -0.890
546 H GLY 72 H GLY 72 0.456 14.460 1.479
547 HA2 GLY 72 HA2 GLY 72 0.688 12.548 3.700
548 HA3 GLY 72 HA3 GLY 72 0.452 14.285 3.821
549 H GLY 73 H GLY 73 -1.072 11.288 4.120
550 HA2 GLY 73 HA2 GLY 73 -3.563 12.292 4.929
551 HA3 GLY 73 HA3 GLY 73 -3.719 11.836 3.237
552 H GLU 74 H GLU 74 -5.370 10.376 4.164
553 HA GLU 74 HA GLU 74 -4.345 7.971 5.536
554 HB2 GLU 74 HB2 GLU 74 -7.197 8.935 5.054
555 HB3 GLU 74 HB3 GLU 74 -6.771 7.449 5.903
556 HG2 GLU 74 HG2 GLU 74 -5.607 8.778 7.642
557 HG3 GLU 74 HG3 GLU 74 -6.045 10.261 6.793
558 H PHE 75 H PHE 75 -3.604 6.468 4.108
559 HA PHE 75 HA PHE 75 -4.699 6.304 1.411
560 HB2 PHE 75 HB2 PHE 75 -2.214 5.112 2.696
561 HB3 PHE 75 HB3 PHE 75 -2.704 4.745 1.041
562 HD1 PHE 75 HD2 PHE 75 -1.762 7.577 3.307
563 HD2 PHE 75 HD1 PHE 75 -2.179 6.249 -0.733
564 HE1 PHE 75 HE2 PHE 75 -0.664 9.629 2.512
565 HE2 PHE 75 HE1 PHE 75 -1.086 8.310 -1.517
566 HZ PHE 75 HZ PHE 75 -0.327 9.998 0.100
567 H GLN 76 H GLN 76 -6.276 4.991 0.963
568 HA GLN 76 HA GLN 76 -6.874 2.616 2.572
569 HB2 GLN 76 HB2 GLN 76 -8.655 4.347 2.326
570 HB3 GLN 76 HB3 GLN 76 -8.617 4.131 0.579
571 HG2 GLN 76 HG2 GLN 76 -9.308 1.738 0.927
572 HG3 GLN 76 HG3 GLN 76 -9.477 2.086 2.650
573 HE21 GLN 76 HE21 GLN 76 -11.694 1.632 2.649
574 HE22 GLN 76 HE22 GLN 76 -12.853 2.658 1.888
575 H CYS 77 H CYS 77 -5.839 0.886 1.740
576 HA CYS 77 HA CYS 77 -5.441 0.386 -1.085
577 HB2 CYS 77 HB2 CYS 77 -5.144 -1.654 1.147
578 HB3 CYS 77 HB3 CYS 77 -4.259 -1.559 -0.373
579 HG CYS 77 HG CYS 77 -2.429 -0.958 1.563
580 H VAL 78 H VAL 78 -7.437 0.123 -2.137
581 HA VAL 78 HA VAL 78 -9.528 -1.561 -0.949
582 HB VAL 78 HB VAL 78 -9.571 0.088 -3.513
583 HG11 VAL 78 HG11 VAL 78 -11.868 -1.308 -2.084
584 HG12 VAL 78 HG12 VAL 78 -11.189 -1.745 -3.654
585 HG13 VAL 78 HG13 VAL 78 -12.033 -0.210 -3.459
586 HG21 VAL 78 HG21 VAL 78 -9.340 1.510 -1.523
587 HG22 VAL 78 HG22 VAL 78 -10.742 0.734 -0.781
588 HG23 VAL 78 HG23 VAL 78 -10.939 1.701 -2.243
589 H ALA 79 H ALA 79 -8.954 -3.686 -1.192
590 HA ALA 79 HA ALA 79 -7.980 -4.859 -3.639
591 HB1 ALA 79 HB1 ALA 79 -9.235 -6.179 -1.202
592 HB2 ALA 79 HB2 ALA 79 -7.512 -5.899 -1.455
593 HB3 ALA 79 HB3 ALA 79 -8.386 -7.019 -2.501
594 H GLY 80 H GLY 80 -11.108 -4.963 -1.927
595 HA2 GLY 80 HA2 GLY 80 -12.903 -4.635 -3.981
596 HA3 GLY 80 HA3 GLY 80 -12.518 -6.355 -4.028
597 H ASP 81 H ASP 81 -12.565 -7.432 -1.790
598 HA ASP 81 HA ASP 81 -14.984 -6.782 -0.300
599 HB2 ASP 81 HB2 ASP 81 -14.396 -9.139 -0.672
600 HB3 ASP 81 HB3 ASP 81 -12.834 -8.913 0.098
601 H GLU 82 H GLU 82 -11.483 -6.881 0.306
602 HA GLU 82 HA GLU 82 -11.758 -5.603 2.923
603 HB2 GLU 82 HB2 GLU 82 -9.552 -7.078 1.484
604 HB3 GLU 82 HB3 GLU 82 -9.163 -6.072 2.873
605 HG2 GLU 82 HG2 GLU 82 -11.225 -8.296 2.989
606 HG3 GLU 82 HG3 GLU 82 -9.513 -8.547 3.328
607 H CYS 83 H CYS 83 -10.549 -3.832 3.571
608 HA CYS 83 HA CYS 83 -9.149 -2.136 1.638
609 HB2 CYS 83 HB2 CYS 83 -10.393 -0.111 2.409
610 HB3 CYS 83 HB3 CYS 83 -11.443 -1.263 1.596
611 HG CYS 83 HG CYS 83 -11.259 -1.208 5.007
612 H ALA 84 H ALA 84 -7.214 -1.785 2.524
613 HA ALA 84 HA ALA 84 -6.777 -1.857 5.438
614 HB1 ALA 84 HB1 ALA 84 -4.389 -2.003 4.847
615 HB2 ALA 84 HB2 ALA 84 -4.786 -1.775 3.141
616 HB3 ALA 84 HB3 ALA 84 -5.323 -3.228 3.983
617 H TYR 85 H TYR 85 -5.467 -0.132 6.477
618 HA TYR 85 HA TYR 85 -5.733 2.516 5.157
619 HB2 TYR 85 HB2 TYR 85 -6.628 1.812 7.989
620 HB3 TYR 85 HB3 TYR 85 -6.498 3.461 7.379
621 HD1 TYR 85 HD2 TYR 85 -8.061 4.275 5.608
622 HD2 TYR 85 HD1 TYR 85 -8.508 0.377 7.309
623 HE1 TYR 85 HE2 TYR 85 -10.319 4.109 4.655
624 HE2 TYR 85 HE1 TYR 85 -10.764 0.219 6.341
625 HH TYR 85 HH TYR 85 -12.535 1.680 5.554
626 H PHE 86 H PHE 86 -3.893 3.572 5.098
627 HA PHE 86 HA PHE 86 -1.882 3.368 7.272
628 HB2 PHE 86 HB2 PHE 86 -1.565 4.281 4.370
629 HB3 PHE 86 HB3 PHE 86 -0.289 4.367 5.582
630 HD1 PHE 86 HD1 PHE 86 -2.375 2.022 3.567
631 HD2 PHE 86 HD2 PHE 86 1.020 2.425 6.138
632 HE1 PHE 86 HE1 PHE 86 -1.633 -0.250 2.965
633 HE2 PHE 86 HE2 PHE 86 1.750 0.159 5.525
634 HZ PHE 86 HZ PHE 86 0.428 -1.180 3.939
635 H THR 87 H THR 87 -1.410 5.257 8.439
636 HA THR 87 HA THR 87 -2.618 7.817 7.510
637 HB THR 87 HB THR 87 -1.744 7.068 10.338
638 HG1 THR 87 HG1 THR 87 -4.387 7.727 9.865
639 HG21 THR 87 HG21 THR 87 -2.819 9.206 11.024
640 HG22 THR 87 HG22 THR 87 -3.101 9.605 9.329
641 HG23 THR 87 HG23 THR 87 -1.451 9.494 9.945
642 H VAL 88 H VAL 88 -1.072 8.710 6.243
643 HA VAL 88 HA VAL 88 1.757 8.749 7.031
644 HB VAL 88 HB VAL 88 0.362 9.722 4.487
645 HG11 VAL 88 HG11 VAL 88 2.397 11.048 4.857
646 HG12 VAL 88 HG12 VAL 88 2.621 9.953 3.493
647 HG13 VAL 88 HG13 VAL 88 3.349 9.575 5.057
648 HG21 VAL 88 HG21 VAL 88 0.338 7.265 4.749
649 HG22 VAL 88 HG22 VAL 88 2.091 7.254 4.958
650 HG23 VAL 88 HG23 VAL 88 1.387 7.745 3.415
651 H THR 89 H THR 89 2.145 10.221 8.573
652 HA THR 89 HA THR 89 0.851 12.884 8.537
653 HB THR 89 HB THR 89 2.377 11.470 10.781
654 HG1 THR 89 HG1 THR 89 0.189 10.709 10.145
655 HG21 THR 89 HG21 THR 89 0.844 14.105 10.837
656 HG22 THR 89 HG22 THR 89 2.589 13.914 11.018
657 HG23 THR 89 HG23 THR 89 1.502 13.277 12.250
658 H ILE 90 H ILE 90 1.992 14.506 7.663
659 HA ILE 90 HA ILE 90 4.960 14.452 7.636
660 HB ILE 90 HB ILE 90 3.129 16.078 5.815
661 HG12 ILE 90 HG12 ILE 90 4.572 13.449 5.214
662 HG13 ILE 90 HG13 ILE 90 2.833 13.649 5.389
663 HG21 ILE 90 HG21 ILE 90 5.384 17.071 6.089
664 HG22 ILE 90 HG22 ILE 90 5.159 16.465 4.451
665 HG23 ILE 90 HG23 ILE 90 6.127 15.544 5.603
666 HD11 ILE 90 HD11 ILE 90 3.425 13.462 3.079
667 HD12 ILE 90 HD12 ILE 90 4.562 14.800 3.209
668 HD13 ILE 90 HD13 ILE 90 2.829 15.091 3.392
Start of MODEL 6
1 H HIS 1 H1 HIS 1 -13.905 -15.452 -11.085
2 HA HIS 1 HA HIS 1 -14.071 -14.078 -9.111
3 HB2 HIS 1 HB2 HIS 1 -16.358 -14.844 -8.395
4 HB3 HIS 1 HB3 HIS 1 -16.154 -14.806 -10.139
5 HD1 HIS 1 HD1 HIS 1 -16.309 -17.048 -11.410
6 HD2 HIS 1 HD2 HIS 1 -16.686 -17.462 -7.293
7 HE1 HIS 1 HE1 HIS 1 -17.091 -19.399 -11.038
8 HE2 HIS 1 HE2 HIS 1 -17.084 -19.683 -8.547
9 H MET 2 H MET 2 -13.370 -13.814 -7.073
10 HA MET 2 HA MET 2 -13.673 -15.747 -4.991
11 HB2 MET 2 HB2 MET 2 -11.661 -16.694 -6.175
12 HB3 MET 2 HB3 MET 2 -10.798 -15.196 -5.864
13 HG2 MET 2 HG2 MET 2 -10.941 -15.600 -3.447
14 HG3 MET 2 HG3 MET 2 -11.863 -17.075 -3.738
15 HE1 MET 2 HE1 MET 2 -10.809 -19.184 -5.134
16 HE2 MET 2 HE2 MET 2 -9.110 -19.277 -5.596
17 HE3 MET 2 HE3 MET 2 -10.186 -18.145 -6.416
18 HA PRO 3 HA PRO 3 -13.721 -11.677 -2.878
19 HB2 PRO 3 HB2 PRO 3 -13.769 -13.494 -0.467
20 HB3 PRO 3 HB3 PRO 3 -14.802 -12.106 -0.848
21 HG2 PRO 3 HG2 PRO 3 -15.754 -14.573 -1.135
22 HG3 PRO 3 HG3 PRO 3 -16.118 -13.338 -2.361
23 HD2 PRO 3 HD2 PRO 3 -14.094 -15.576 -2.469
24 HD3 PRO 3 HD3 PRO 3 -15.204 -14.999 -3.733
25 H VAL 4 H VAL 4 -11.670 -10.908 -3.246
26 HA VAL 4 HA VAL 4 -9.262 -12.041 -2.192
27 HB VAL 4 HB VAL 4 -9.132 -10.860 -4.275
28 HG11 VAL 4 HG11 VAL 4 -10.093 -8.342 -2.871
29 HG12 VAL 4 HG12 VAL 4 -11.013 -9.308 -4.026
30 HG13 VAL 4 HG13 VAL 4 -9.565 -8.449 -4.552
31 HG21 VAL 4 HG21 VAL 4 -7.661 -9.240 -2.153
32 HG22 VAL 4 HG22 VAL 4 -7.255 -9.293 -3.870
33 HG23 VAL 4 HG23 VAL 4 -7.102 -10.748 -2.885
34 H HIS 5 H HIS 5 -9.286 -12.182 -0.000
35 HA HIS 5 HA HIS 5 -9.702 -9.864 1.703
36 HB2 HIS 5 HB2 HIS 5 -8.964 -12.748 2.319
37 HB3 HIS 5 HB3 HIS 5 -8.993 -11.503 3.566
38 HD1 HIS 5 HD1 HIS 5 -11.255 -10.845 4.512
39 HD2 HIS 5 HD2 HIS 5 -11.578 -13.353 1.211
40 HE1 HIS 5 HE1 HIS 5 -13.674 -11.485 4.393
41 HE2 HIS 5 HE2 HIS 5 -13.873 -12.800 2.266
42 H ILE 6 H ILE 6 -8.175 -8.481 2.428
43 HA ILE 6 HA ILE 6 -5.411 -8.723 1.671
44 HB ILE 6 HB ILE 6 -6.774 -6.720 3.525
45 HG12 ILE 6 HG12 ILE 6 -5.880 -6.523 0.605
46 HG13 ILE 6 HG13 ILE 6 -7.543 -6.626 1.169
47 HG21 ILE 6 HG21 ILE 6 -3.937 -6.636 2.404
48 HG22 ILE 6 HG22 ILE 6 -4.375 -6.861 4.098
49 HG23 ILE 6 HG23 ILE 6 -4.723 -5.330 3.297
50 HD11 ILE 6 HD11 ILE 6 -6.987 -4.382 0.500
51 HD12 ILE 6 HD12 ILE 6 -5.641 -4.336 1.635
52 HD13 ILE 6 HD13 ILE 6 -7.300 -4.429 2.233
53 H VAL 7 H VAL 7 -4.501 -10.438 2.507
54 HA VAL 7 HA VAL 7 -4.921 -11.628 5.011
55 HB VAL 7 HB VAL 7 -2.832 -12.984 4.419
56 HG11 VAL 7 HG11 VAL 7 -5.015 -12.781 2.300
57 HG12 VAL 7 HG12 VAL 7 -5.085 -13.748 3.775
58 HG13 VAL 7 HG13 VAL 7 -3.918 -14.149 2.515
59 HG21 VAL 7 HG21 VAL 7 -2.905 -11.311 1.864
60 HG22 VAL 7 HG22 VAL 7 -1.871 -12.713 2.154
61 HG23 VAL 7 HG23 VAL 7 -1.638 -11.239 3.096
62 H ASP 8 H ASP 8 -2.472 -9.283 3.977
63 HA ASP 8 HA ASP 8 -1.979 -8.409 6.664
64 HB2 ASP 8 HB2 ASP 8 -0.516 -10.499 6.466
65 HB3 ASP 8 HB3 ASP 8 0.411 -9.659 5.224
66 HA PRO 9 HA PRO 9 -1.040 -6.697 7.664
67 HB2 PRO 9 HB2 PRO 9 -1.410 -4.058 8.118
68 HB3 PRO 9 HB3 PRO 9 0.179 -4.718 7.709
69 HG2 PRO 9 HG2 PRO 9 -1.803 -3.308 5.937
70 HG3 PRO 9 HG3 PRO 9 -0.041 -3.109 6.025
71 HD2 PRO 9 HD2 PRO 9 -1.324 -4.662 4.121
72 HD3 PRO 9 HD3 PRO 9 0.354 -4.920 4.643
73 H ARG 10 H ARG 10 -2.817 -7.462 8.466
74 HA ARG 10 HA ARG 10 -5.512 -6.632 7.764
75 HB2 ARG 10 HB2 ARG 10 -6.009 -8.430 9.718
76 HB3 ARG 10 HB3 ARG 10 -5.643 -8.912 8.070
77 HG2 ARG 10 HG2 ARG 10 -4.410 -10.290 9.668
78 HG3 ARG 10 HG3 ARG 10 -3.308 -9.346 8.672
79 HD2 ARG 10 HD2 ARG 10 -3.582 -7.672 10.833
80 HD3 ARG 10 HD3 ARG 10 -3.782 -9.237 11.601
81 HE ARG 10 HE ARG 10 -1.550 -9.589 10.105
82 HH11 ARG 10 HH11 ARG 10 -2.387 -7.236 12.495
83 HH12 ARG 10 HH12 ARG 10 -0.744 -6.814 12.808
84 HH21 ARG 10 HH21 ARG 10 0.545 -9.026 10.528
85 HH22 ARG 10 HH22 ARG 10 0.891 -7.828 11.727
86 H GLU 11 H GLU 11 -4.202 -4.468 8.750
87 HA GLU 11 HA GLU 11 -5.596 -3.715 11.180
88 HB2 GLU 11 HB2 GLU 11 -3.585 -3.148 12.483
89 HB3 GLU 11 HB3 GLU 11 -3.594 -4.867 12.104
90 HG2 GLU 11 HG2 GLU 11 -1.889 -4.607 10.435
91 HG3 GLU 11 HG3 GLU 11 -2.014 -2.851 10.473
92 H HIS 12 H HIS 12 -4.383 -1.405 11.851
93 HA HIS 12 HA HIS 12 -4.475 0.292 9.416
94 HB2 HIS 12 HB2 HIS 12 -5.135 1.053 12.298
95 HB3 HIS 12 HB3 HIS 12 -5.346 2.069 10.875
96 HD1 HIS 12 HD1 HIS 12 -7.520 1.848 9.629
97 HD2 HIS 12 HD2 HIS 12 -7.022 -1.150 12.460
98 HE1 HIS 12 HE1 HIS 12 -9.690 0.605 9.680
99 HE2 HIS 12 HE2 HIS 12 -9.393 -1.166 11.433
100 H VAL 13 H VAL 13 -2.373 0.654 8.857
101 HA VAL 13 HA VAL 13 -0.275 0.868 10.907
102 HB VAL 13 HB VAL 13 0.005 0.661 7.876
103 HG11 VAL 13 HG11 VAL 13 2.124 0.386 10.044
104 HG12 VAL 13 HG12 VAL 13 1.983 1.713 8.891
105 HG13 VAL 13 HG13 VAL 13 2.381 0.093 8.320
106 HG21 VAL 13 HG21 VAL 13 -1.036 -1.371 8.800
107 HG22 VAL 13 HG22 VAL 13 0.268 -1.525 9.979
108 HG23 VAL 13 HG23 VAL 13 0.609 -1.712 8.257
109 H PHE 14 H PHE 14 -0.091 2.921 11.707
110 HA PHE 14 HA PHE 14 -0.145 5.297 10.041
111 HB2 PHE 14 HB2 PHE 14 0.849 4.945 12.908
112 HB3 PHE 14 HB3 PHE 14 0.639 6.486 12.090
113 HD1 PHE 14 HD1 PHE 14 -1.133 3.627 13.630
114 HD2 PHE 14 HD2 PHE 14 -1.559 7.484 11.828
115 HE1 PHE 14 HE1 PHE 14 -3.440 3.777 14.480
116 HE2 PHE 14 HE2 PHE 14 -3.860 7.626 12.684
117 HZ PHE 14 HZ PHE 14 -4.802 5.778 14.009
118 H VAL 15 H VAL 15 1.481 5.507 8.574
119 HA VAL 15 HA VAL 15 4.265 4.809 9.163
120 HB VAL 15 HB VAL 15 2.998 6.040 6.665
121 HG11 VAL 15 HG11 VAL 15 5.816 4.955 7.046
122 HG12 VAL 15 HG12 VAL 15 5.380 6.646 6.794
123 HG13 VAL 15 HG13 VAL 15 5.119 5.468 5.506
124 HG21 VAL 15 HG21 VAL 15 3.251 3.777 5.673
125 HG22 VAL 15 HG22 VAL 15 2.191 3.752 7.083
126 HG23 VAL 15 HG23 VAL 15 3.851 3.171 7.219
127 H HIS 16 H HIS 16 5.883 6.366 9.569
128 HA HIS 16 HA HIS 16 4.997 9.202 9.810
129 HB2 HIS 16 HB2 HIS 16 6.969 7.684 11.576
130 HB3 HIS 16 HB3 HIS 16 6.570 9.396 11.737
131 HD1 HIS 16 HD1 HIS 16 5.551 6.114 12.900
132 HD2 HIS 16 HD2 HIS 16 3.683 9.787 12.362
133 HE1 HIS 16 HE1 HIS 16 3.425 5.978 14.210
134 HE2 HIS 16 HE2 HIS 16 2.362 8.241 13.963
135 H ALA 17 H ALA 17 6.069 10.620 8.573
136 HA ALA 17 HA ALA 17 8.653 9.834 7.327
137 HB1 ALA 17 HB1 ALA 17 6.298 11.155 5.934
138 HB2 ALA 17 HB2 ALA 17 6.795 9.471 5.748
139 HB3 ALA 17 HB3 ALA 17 7.857 10.769 5.197
140 H ILE 18 H ILE 18 9.694 11.712 6.214
141 HA ILE 18 HA ILE 18 9.340 14.325 7.588
142 HB ILE 18 HB ILE 18 11.932 12.978 6.676
143 HG12 ILE 18 HG12 ILE 18 11.079 12.098 8.825
144 HG13 ILE 18 HG13 ILE 18 12.584 12.977 9.062
145 HG21 ILE 18 HG21 ILE 18 12.163 15.367 6.227
146 HG22 ILE 18 HG22 ILE 18 13.186 14.910 7.587
147 HG23 ILE 18 HG23 ILE 18 11.666 15.758 7.875
148 HD11 ILE 18 HD11 ILE 18 9.811 14.008 9.668
149 HD12 ILE 18 HD12 ILE 18 11.314 14.904 9.905
150 HD13 ILE 18 HD13 ILE 18 11.003 13.440 10.837
151 H THR 19 H THR 19 9.919 16.213 6.204
152 HA THR 19 HA THR 19 8.940 16.268 3.591
153 HB THR 19 HB THR 19 10.131 18.451 3.332
154 HG1 THR 19 HG1 THR 19 12.096 18.020 4.359
155 HG21 THR 19 HG21 THR 19 9.131 19.642 5.239
156 HG22 THR 19 HG22 THR 19 8.947 18.121 6.113
157 HG23 THR 19 HG23 THR 19 8.022 18.407 4.639
158 H SER 20 H SER 20 9.720 15.516 1.689
159 HA SER 20 HA SER 20 11.013 14.746 -0.000
160 HB2 SER 20 HB2 SER 20 13.404 15.949 1.459
161 HB3 SER 20 HB3 SER 20 13.343 15.476 -0.235
162 HG SER 20 HG SER 20 13.017 17.785 0.291
163 H GLU 21 H GLU 21 10.816 13.246 2.764
164 HA GLU 21 HA GLU 21 13.012 11.289 2.414
165 HB2 GLU 21 HB2 GLU 21 12.267 12.413 4.704
166 HB3 GLU 21 HB3 GLU 21 11.004 11.197 4.694
167 HG2 GLU 21 HG2 GLU 21 13.988 10.627 4.620
168 HG3 GLU 21 HG3 GLU 21 12.997 10.604 6.074
169 H CYS 22 H CYS 22 12.633 9.266 1.632
170 HA CYS 22 HA CYS 22 10.298 8.843 0.070
171 HB2 CYS 22 HB2 CYS 22 11.370 6.699 -0.589
172 HB3 CYS 22 HB3 CYS 22 12.490 8.058 -0.684
173 HG CYS 22 HG CYS 22 12.877 6.918 2.284
174 H VAL 23 H VAL 23 8.467 7.718 0.418
175 HA VAL 23 HA VAL 23 8.128 6.016 2.835
176 HB VAL 23 HB VAL 23 6.014 7.465 1.154
177 HG11 VAL 23 HG11 VAL 23 5.068 5.384 2.081
178 HG12 VAL 23 HG12 VAL 23 4.368 6.791 2.881
179 HG13 VAL 23 HG13 VAL 23 5.611 5.842 3.698
180 HG21 VAL 23 HG21 VAL 23 7.336 9.020 2.520
181 HG22 VAL 23 HG22 VAL 23 7.003 8.060 3.963
182 HG23 VAL 23 HG23 VAL 23 5.687 8.900 3.143
183 H MET 24 H MET 24 7.309 3.893 2.605
184 HA MET 24 HA MET 24 6.309 3.011 -0.026
185 HB2 MET 24 HB2 MET 24 8.667 2.224 0.159
186 HB3 MET 24 HB3 MET 24 8.274 1.395 1.658
187 HG2 MET 24 HG2 MET 24 6.695 -0.061 0.431
188 HG3 MET 24 HG3 MET 24 7.111 0.765 -1.071
189 HE1 MET 24 HE1 MET 24 9.582 0.679 -2.152
190 HE2 MET 24 HE2 MET 24 10.907 -0.270 -1.479
191 HE3 MET 24 HE3 MET 24 10.328 1.162 -0.629
192 H LEU 25 H LEU 25 4.239 2.621 0.391
193 HA LEU 25 HA LEU 25 3.242 1.605 2.936
194 HB2 LEU 25 HB2 LEU 25 1.779 2.244 0.345
195 HB3 LEU 25 HB3 LEU 25 1.032 1.994 1.920
196 HG LEU 25 HG LEU 25 2.962 4.278 1.341
197 HD11 LEU 25 HD11 LEU 25 -0.066 4.345 1.248
198 HD12 LEU 25 HD12 LEU 25 1.029 4.507 -0.125
199 HD13 LEU 25 HD13 LEU 25 1.009 5.742 1.129
200 HD21 LEU 25 HD21 LEU 25 0.992 3.871 3.624
201 HD22 LEU 25 HD22 LEU 25 2.031 5.280 3.385
202 HD23 LEU 25 HD23 LEU 25 2.748 3.710 3.729
203 H ALA 26 H ALA 26 3.538 -0.593 3.218
204 HA ALA 26 HA ALA 26 3.481 -2.463 0.967
205 HB1 ALA 26 HB1 ALA 26 4.289 -4.112 2.611
206 HB2 ALA 26 HB2 ALA 26 4.064 -2.937 3.911
207 HB3 ALA 26 HB3 ALA 26 5.264 -2.640 2.653
208 H CYS 27 H CYS 27 1.682 -3.592 0.406
209 HA CYS 27 HA CYS 27 -0.233 -4.542 2.409
210 HB2 CYS 27 HB2 CYS 27 -1.243 -2.425 1.639
211 HB3 CYS 27 HB3 CYS 27 -1.130 -2.960 -0.036
212 HG CYS 27 HG CYS 27 -2.727 -5.353 1.262
213 H GLU 28 H GLU 28 -0.339 -6.675 2.088
214 HA GLU 28 HA GLU 28 -0.016 -7.852 -0.585
215 HB2 GLU 28 HB2 GLU 28 0.096 -9.087 2.188
216 HB3 GLU 28 HB3 GLU 28 0.164 -10.037 0.704
217 HG2 GLU 28 HG2 GLU 28 2.218 -8.870 0.028
218 HG3 GLU 28 HG3 GLU 28 2.142 -7.881 1.485
219 H VAL 29 H VAL 29 -1.502 -9.081 -1.551
220 HA VAL 29 HA VAL 29 -4.250 -9.158 -0.454
221 HB VAL 29 HB VAL 29 -4.995 -9.208 -2.845
222 HG11 VAL 29 HG11 VAL 29 -4.560 -6.831 -3.342
223 HG12 VAL 29 HG12 VAL 29 -3.264 -6.803 -2.146
224 HG13 VAL 29 HG13 VAL 29 -4.932 -7.063 -1.633
225 HG21 VAL 29 HG21 VAL 29 -3.382 -8.637 -4.663
226 HG22 VAL 29 HG22 VAL 29 -2.995 -10.183 -3.907
227 HG23 VAL 29 HG23 VAL 29 -2.049 -8.747 -3.505
228 H ASP 30 H ASP 30 -5.540 -11.018 -0.893
229 HA ASP 30 HA ASP 30 -4.244 -13.568 -0.908
230 HB2 ASP 30 HB2 ASP 30 -6.304 -13.260 0.331
231 HB3 ASP 30 HB3 ASP 30 -7.160 -12.728 -1.106
232 H ARG 31 H ARG 31 -5.698 -11.573 -3.409
233 HA ARG 31 HA ARG 31 -5.332 -13.705 -5.433
234 HB2 ARG 31 HB2 ARG 31 -7.782 -13.160 -4.642
235 HB3 ARG 31 HB3 ARG 31 -7.609 -11.694 -5.591
236 HG2 ARG 31 HG2 ARG 31 -8.798 -13.497 -6.805
237 HG3 ARG 31 HG3 ARG 31 -7.321 -12.991 -7.632
238 HD2 ARG 31 HD2 ARG 31 -7.808 -15.539 -7.460
239 HD3 ARG 31 HD3 ARG 31 -6.177 -14.977 -7.089
240 HE ARG 31 HE ARG 31 -7.994 -15.294 -4.816
241 HH11 ARG 31 HH11 ARG 31 -5.520 -16.830 -6.699
242 HH12 ARG 31 HH12 ARG 31 -4.992 -17.806 -5.378
243 HH21 ARG 31 HH21 ARG 31 -7.262 -16.549 -3.146
244 HH22 ARG 31 HH22 ARG 31 -5.959 -17.659 -3.407
245 H GLU 32 H GLU 32 -3.896 -13.110 -6.916
246 HA GLU 32 HA GLU 32 -2.720 -10.495 -6.973
247 HB2 GLU 32 HB2 GLU 32 -2.230 -12.825 -8.888
248 HB3 GLU 32 HB3 GLU 32 -1.214 -11.402 -8.718
249 HG2 GLU 32 HG2 GLU 32 -0.095 -13.164 -7.601
250 HG3 GLU 32 HG3 GLU 32 -0.746 -12.124 -6.340
251 H ASP 33 H ASP 33 -4.828 -12.322 -9.173
252 HA ASP 33 HA ASP 33 -4.866 -10.524 -11.354
253 HB2 ASP 33 HB2 ASP 33 -5.571 -12.925 -11.447
254 HB3 ASP 33 HB3 ASP 33 -7.005 -12.528 -10.507
255 H ALA 34 H ALA 34 -6.459 -10.357 -8.269
256 HA ALA 34 HA ALA 34 -8.614 -8.601 -8.926
257 HB1 ALA 34 HB1 ALA 34 -8.593 -9.942 -6.866
258 HB2 ALA 34 HB2 ALA 34 -8.771 -8.226 -6.493
259 HB3 ALA 34 HB3 ALA 34 -7.213 -9.026 -6.264
260 HA PRO 35 HA PRO 35 -5.766 -5.097 -9.651
261 HB2 PRO 35 HB2 PRO 35 -7.575 -3.330 -10.671
262 HB3 PRO 35 HB3 PRO 35 -6.981 -4.714 -11.596
263 HG2 PRO 35 HG2 PRO 35 -9.566 -4.419 -10.077
264 HG3 PRO 35 HG3 PRO 35 -9.293 -5.102 -11.692
265 HD2 PRO 35 HD2 PRO 35 -9.585 -6.652 -9.449
266 HD3 PRO 35 HD3 PRO 35 -8.610 -7.156 -10.848
267 H VAL 36 H VAL 36 -5.041 -4.193 -7.781
268 HA VAL 36 HA VAL 36 -6.747 -3.193 -5.689
269 HB VAL 36 HB VAL 36 -4.686 -2.540 -4.513
270 HG11 VAL 36 HG11 VAL 36 -5.407 -4.889 -4.407
271 HG12 VAL 36 HG12 VAL 36 -3.648 -4.775 -4.337
272 HG13 VAL 36 HG13 VAL 36 -4.439 -5.267 -5.837
273 HG21 VAL 36 HG21 VAL 36 -3.358 -1.657 -6.401
274 HG22 VAL 36 HG22 VAL 36 -3.187 -3.282 -7.065
275 HG23 VAL 36 HG23 VAL 36 -2.436 -2.879 -5.521
276 H ARG 37 H ARG 37 -6.910 -1.055 -4.906
277 HA ARG 37 HA ARG 37 -6.196 1.164 -6.729
278 HB2 ARG 37 HB2 ARG 37 -8.919 0.633 -5.475
279 HB3 ARG 37 HB3 ARG 37 -8.459 2.212 -6.096
280 HG2 ARG 37 HG2 ARG 37 -8.950 1.630 -8.226
281 HG3 ARG 37 HG3 ARG 37 -7.999 0.154 -8.120
282 HD2 ARG 37 HD2 ARG 37 -10.837 0.426 -7.084
283 HD3 ARG 37 HD3 ARG 37 -10.408 -0.226 -8.672
284 HE ARG 37 HE ARG 37 -8.937 -1.711 -6.904
285 HH11 ARG 37 HH11 ARG 37 -12.332 -1.080 -7.116
286 HH12 ARG 37 HH12 ARG 37 -12.750 -2.683 -6.644
287 HH21 ARG 37 HH21 ARG 37 -9.511 -3.741 -6.307
288 HH22 ARG 37 HH22 ARG 37 -11.185 -4.165 -6.210
289 H TRP 38 H TRP 38 -4.828 2.358 -5.582
290 HA TRP 38 HA TRP 38 -5.005 2.725 -2.694
291 HB2 TRP 38 HB2 TRP 38 -3.082 3.854 -4.782
292 HB3 TRP 38 HB3 TRP 38 -2.931 4.098 -3.045
293 HD1 TRP 38 HD1 TRP 38 -2.504 1.363 -5.731
294 HE1 TRP 38 HE1 TRP 38 -1.092 -0.534 -4.730
295 HE3 TRP 38 HE3 TRP 38 -2.289 2.986 -0.890
296 HZ2 TRP 38 HZ2 TRP 38 -0.043 -1.271 -2.210
297 HZ3 TRP 38 HZ3 TRP 38 -1.070 1.634 0.755
298 HH2 TRP 38 HH2 TRP 38 0.038 -0.451 0.113
299 H TYR 39 H TYR 39 -5.546 4.712 -1.692
300 HA TYR 39 HA TYR 39 -6.588 6.901 -3.408
301 HB2 TYR 39 HB2 TYR 39 -7.872 5.766 -0.878
302 HB3 TYR 39 HB3 TYR 39 -8.386 7.266 -1.649
303 HD1 TYR 39 HD1 TYR 39 -8.299 3.577 -2.005
304 HD2 TYR 39 HD2 TYR 39 -9.643 7.237 -3.741
305 HE1 TYR 39 HE1 TYR 39 -9.698 2.317 -3.582
306 HE2 TYR 39 HE2 TYR 39 -11.049 5.974 -5.310
307 HH TYR 39 HH TYR 39 -11.019 3.672 -6.334
308 H LYS 40 H LYS 40 -5.690 8.801 -3.005
309 HA LYS 40 HA LYS 40 -4.086 9.282 -0.604
310 HB2 LYS 40 HB2 LYS 40 -3.364 9.752 -3.073
311 HB3 LYS 40 HB3 LYS 40 -4.392 11.169 -2.974
312 HG2 LYS 40 HG2 LYS 40 -2.063 10.611 -1.120
313 HG3 LYS 40 HG3 LYS 40 -1.933 11.564 -2.592
314 HD2 LYS 40 HD2 LYS 40 -3.565 13.202 -1.632
315 HD3 LYS 40 HD3 LYS 40 -3.613 12.248 -0.145
316 HE2 LYS 40 HE2 LYS 40 -2.098 14.189 0.040
317 HE3 LYS 40 HE3 LYS 40 -1.250 12.655 0.238
318 HZ1 LYS 40 HZ1 LYS 40 -1.332 14.226 -2.279
319 HZ2 LYS 40 HZ2 LYS 40 -0.439 12.815 -2.007
320 HZ3 LYS 40 HZ3 LYS 40 -0.052 14.234 -1.176
321 H ASP 41 H ASP 41 -5.435 9.803 1.052
322 HA ASP 41 HA ASP 41 -6.761 10.939 2.457
323 HB2 ASP 41 HB2 ASP 41 -5.546 12.943 1.790
324 HB3 ASP 41 HB3 ASP 41 -6.578 13.148 0.378
325 H GLY 42 H GLY 42 -8.176 12.053 -0.660
326 HA2 GLY 42 HA2 GLY 42 -10.610 10.451 -0.203
327 HA3 GLY 42 HA3 GLY 42 -10.791 12.200 -0.290
328 H GLN 43 H GLN 43 -8.266 11.278 -2.299
329 HA GLN 43 HA GLN 43 -9.986 11.045 -4.719
330 HB2 GLN 43 HB2 GLN 43 -8.699 13.213 -4.527
331 HB3 GLN 43 HB3 GLN 43 -7.205 12.286 -4.527
332 HG2 GLN 43 HG2 GLN 43 -7.878 11.397 -6.819
333 HG3 GLN 43 HG3 GLN 43 -9.198 12.568 -6.802
334 HE21 GLN 43 HE21 GLN 43 -5.757 12.130 -7.068
335 HE22 GLN 43 HE22 GLN 43 -5.383 13.734 -7.581
336 H GLU 44 H GLU 44 -9.184 9.597 -6.412
337 HA GLU 44 HA GLU 44 -7.772 7.295 -5.400
338 HB2 GLU 44 HB2 GLU 44 -9.742 7.133 -6.924
339 HB3 GLU 44 HB3 GLU 44 -8.783 7.832 -8.222
340 HG2 GLU 44 HG2 GLU 44 -7.314 5.880 -8.247
341 HG3 GLU 44 HG3 GLU 44 -8.114 5.219 -6.822
342 H VAL 45 H VAL 45 -5.879 6.364 -6.258
343 HA VAL 45 HA VAL 45 -3.851 8.291 -7.196
344 HB VAL 45 HB VAL 45 -3.615 5.658 -5.680
345 HG11 VAL 45 HG11 VAL 45 -1.690 5.799 -7.180
346 HG12 VAL 45 HG12 VAL 45 -1.185 6.052 -5.510
347 HG13 VAL 45 HG13 VAL 45 -1.333 7.429 -6.602
348 HG21 VAL 45 HG21 VAL 45 -4.353 7.543 -4.289
349 HG22 VAL 45 HG22 VAL 45 -2.958 8.491 -4.808
350 HG23 VAL 45 HG23 VAL 45 -2.722 7.035 -3.838
351 H GLU 46 H GLU 46 -2.727 7.978 -9.042
352 HA GLU 46 HA GLU 46 -2.519 5.295 -10.273
353 HB2 GLU 46 HB2 GLU 46 -4.141 6.827 -11.558
354 HB3 GLU 46 HB3 GLU 46 -2.772 7.871 -11.909
355 HG2 GLU 46 HG2 GLU 46 -1.674 5.946 -13.083
356 HG3 GLU 46 HG3 GLU 46 -3.114 4.982 -12.777
357 H GLU 47 H GLU 47 -0.501 5.374 -11.889
358 HA GLU 47 HA GLU 47 1.808 6.508 -10.602
359 HB2 GLU 47 HB2 GLU 47 1.585 5.173 -13.339
360 HB3 GLU 47 HB3 GLU 47 3.085 5.570 -12.518
361 HG2 GLU 47 HG2 GLU 47 2.981 3.360 -11.963
362 HG3 GLU 47 HG3 GLU 47 2.055 4.001 -10.614
363 H SER 48 H SER 48 0.993 8.706 -10.590
364 HA SER 48 HA SER 48 0.284 10.162 -12.924
365 HB2 SER 48 HB2 SER 48 1.084 11.253 -10.189
366 HB3 SER 48 HB3 SER 48 0.192 12.125 -11.437
367 HG SER 48 HG SER 48 -1.569 10.951 -11.035
368 H ASP 49 H ASP 49 3.196 10.196 -10.909
369 HA ASP 49 HA ASP 49 5.100 10.589 -12.907
370 HB2 ASP 49 HB2 ASP 49 4.131 12.880 -13.148
371 HB3 ASP 49 HB3 ASP 49 4.403 13.182 -11.436
372 H PHE 50 H PHE 50 4.758 12.193 -9.723
373 HA PHE 50 HA PHE 50 7.198 11.134 -8.654
374 HB2 PHE 50 HB2 PHE 50 4.885 12.526 -7.227
375 HB3 PHE 50 HB3 PHE 50 6.471 12.219 -6.527
376 HD1 PHE 50 HD1 PHE 50 8.503 13.360 -7.523
377 HD2 PHE 50 HD2 PHE 50 4.515 14.462 -8.610
378 HE1 PHE 50 HE1 PHE 50 9.332 15.503 -8.405
379 HE2 PHE 50 HE2 PHE 50 5.355 16.606 -9.491
380 HZ PHE 50 HZ PHE 50 7.762 17.127 -9.387
381 H VAL 51 H VAL 51 3.764 10.350 -8.276
382 HA VAL 51 HA VAL 51 4.160 8.269 -6.327
383 HB VAL 51 HB VAL 51 1.681 8.582 -8.073
384 HG11 VAL 51 HG11 VAL 51 1.785 6.547 -6.708
385 HG12 VAL 51 HG12 VAL 51 0.531 7.623 -6.095
386 HG13 VAL 51 HG13 VAL 51 2.076 7.506 -5.255
387 HG21 VAL 51 HG21 VAL 51 0.741 10.133 -6.380
388 HG22 VAL 51 HG22 VAL 51 2.165 10.815 -7.167
389 HG23 VAL 51 HG23 VAL 51 2.292 10.153 -5.538
390 H VAL 52 H VAL 52 4.887 6.234 -6.797
391 HA VAL 52 HA VAL 52 4.267 5.045 -9.447
392 HB VAL 52 HB VAL 52 6.413 3.789 -9.371
393 HG11 VAL 52 HG11 VAL 52 7.907 5.658 -9.985
394 HG12 VAL 52 HG12 VAL 52 6.797 6.804 -9.230
395 HG13 VAL 52 HG13 VAL 52 6.288 5.891 -10.651
396 HG21 VAL 52 HG21 VAL 52 6.854 3.751 -6.956
397 HG22 VAL 52 HG22 VAL 52 7.093 5.499 -6.944
398 HG23 VAL 52 HG23 VAL 52 8.230 4.458 -7.805
399 H LEU 53 H LEU 53 3.347 3.074 -9.442
400 HA LEU 53 HA LEU 53 2.763 1.774 -6.842
401 HB2 LEU 53 HB2 LEU 53 1.242 1.540 -9.474
402 HB3 LEU 53 HB3 LEU 53 0.758 0.846 -7.932
403 HG LEU 53 HG LEU 53 0.917 3.827 -8.553
404 HD11 LEU 53 HD11 LEU 53 -1.524 3.831 -8.454
405 HD12 LEU 53 HD12 LEU 53 -1.542 2.084 -8.201
406 HD13 LEU 53 HD13 LEU 53 -0.949 2.752 -9.724
407 HD21 LEU 53 HD21 LEU 53 1.424 3.414 -6.200
408 HD22 LEU 53 HD22 LEU 53 -0.031 2.433 -6.022
409 HD23 LEU 53 HD23 LEU 53 -0.163 4.161 -6.354
410 H GLU 54 H GLU 54 4.023 0.032 -6.485
411 HA GLU 54 HA GLU 54 5.238 -1.447 -8.721
412 HB2 GLU 54 HB2 GLU 54 5.901 -1.537 -5.756
413 HB3 GLU 54 HB3 GLU 54 6.833 -2.283 -7.048
414 HG2 GLU 54 HG2 GLU 54 6.450 0.682 -6.537
415 HG3 GLU 54 HG3 GLU 54 7.928 -0.249 -6.302
416 H ASN 55 H ASN 55 4.247 -3.243 -9.377
417 HA ASN 55 HA ASN 55 2.702 -4.936 -7.511
418 HB2 ASN 55 HB2 ASN 55 2.830 -4.966 -10.562
419 HB3 ASN 55 HB3 ASN 55 1.814 -6.020 -9.581
420 HD21 ASN 55 HD21 ASN 55 1.088 -4.040 -11.633
421 HD22 ASN 55 HD22 ASN 55 -0.017 -2.956 -10.862
422 H GLU 56 H GLU 56 3.853 -6.526 -6.594
423 HA GLU 56 HA GLU 56 5.858 -8.051 -8.158
424 HB2 GLU 56 HB2 GLU 56 6.988 -6.426 -6.656
425 HB3 GLU 56 HB3 GLU 56 6.133 -7.078 -5.272
426 HG2 GLU 56 HG2 GLU 56 7.774 -9.061 -6.780
427 HG3 GLU 56 HG3 GLU 56 8.694 -7.768 -6.027
428 H GLY 57 H GLY 57 4.199 -9.606 -8.542
429 HA2 GLY 57 HA2 GLY 57 2.939 -11.493 -8.162
430 HA3 GLY 57 HA3 GLY 57 3.828 -11.700 -6.663
431 HA PRO 58 HA PRO 58 -0.251 -10.407 -4.891
432 HB2 PRO 58 HB2 PRO 58 0.006 -11.543 -2.460
433 HB3 PRO 58 HB3 PRO 58 -0.327 -12.522 -3.898
434 HG2 PRO 58 HG2 PRO 58 2.305 -12.047 -2.497
435 HG3 PRO 58 HG3 PRO 58 1.618 -13.573 -3.095
436 HD2 PRO 58 HD2 PRO 58 3.490 -12.088 -4.488
437 HD3 PRO 58 HD3 PRO 58 2.322 -13.178 -5.267
438 H HIS 59 H HIS 59 2.930 -9.439 -4.214
439 HA HIS 59 HA HIS 59 2.354 -7.780 -1.869
440 HB2 HIS 59 HB2 HIS 59 4.930 -7.941 -3.497
441 HB3 HIS 59 HB3 HIS 59 4.742 -7.248 -1.892
442 HD1 HIS 59 HD1 HIS 59 4.847 -8.864 0.098
443 HD2 HIS 59 HD2 HIS 59 4.942 -10.799 -3.575
444 HE1 HIS 59 HE1 HIS 59 5.514 -11.224 0.596
445 HE2 HIS 59 HE2 HIS 59 5.557 -12.382 -1.625
446 H ARG 60 H ARG 60 1.255 -5.929 -2.255
447 HA ARG 60 HA ARG 60 1.816 -4.260 -4.651
448 HB2 ARG 60 HB2 ARG 60 -0.554 -4.122 -2.728
449 HB3 ARG 60 HB3 ARG 60 -0.392 -3.248 -4.250
450 HG2 ARG 60 HG2 ARG 60 -0.658 -6.260 -3.948
451 HG3 ARG 60 HG3 ARG 60 -1.947 -5.150 -4.423
452 HD2 ARG 60 HD2 ARG 60 -0.654 -4.528 -6.442
453 HD3 ARG 60 HD3 ARG 60 0.621 -5.659 -5.968
454 HE ARG 60 HE ARG 60 -2.115 -6.652 -6.408
455 HH11 ARG 60 HH11 ARG 60 1.179 -6.569 -7.436
456 HH12 ARG 60 HH12 ARG 60 0.987 -7.898 -8.516
457 HH21 ARG 60 HH21 ARG 60 -2.334 -8.338 -7.811
458 HH22 ARG 60 HH22 ARG 60 -0.981 -8.865 -8.744
459 H ARG 61 H ARG 61 2.894 -2.337 -4.306
460 HA ARG 61 HA ARG 61 2.841 -1.096 -1.641
461 HB2 ARG 61 HB2 ARG 61 5.356 -0.891 -1.622
462 HB3 ARG 61 HB3 ARG 61 4.746 -2.531 -1.430
463 HG2 ARG 61 HG2 ARG 61 5.203 -2.933 -3.859
464 HG3 ARG 61 HG3 ARG 61 5.936 -1.332 -3.948
465 HD2 ARG 61 HD2 ARG 61 7.689 -2.987 -3.723
466 HD3 ARG 61 HD3 ARG 61 7.606 -2.048 -2.233
467 HE ARG 61 HE ARG 61 6.510 -3.911 -1.172
468 HH11 ARG 61 HH11 ARG 61 7.906 -4.701 -4.243
469 HH12 ARG 61 HH12 ARG 61 8.020 -6.381 -3.861
470 HH21 ARG 61 HH21 ARG 61 6.672 -6.086 -0.734
471 HH22 ARG 61 HH22 ARG 61 7.336 -7.146 -1.935
472 H LEU 62 H LEU 62 2.468 0.979 -1.782
473 HA LEU 62 HA LEU 62 2.931 2.536 -4.211
474 HB2 LEU 62 HB2 LEU 62 0.813 2.704 -2.852
475 HB3 LEU 62 HB3 LEU 62 1.736 3.398 -1.537
476 HG LEU 62 HG LEU 62 1.546 4.749 -4.271
477 HD11 LEU 62 HD11 LEU 62 -0.257 6.169 -3.397
478 HD12 LEU 62 HD12 LEU 62 -0.288 5.233 -1.900
479 HD13 LEU 62 HD13 LEU 62 -0.740 4.473 -3.427
480 HD21 LEU 62 HD21 LEU 62 2.222 5.905 -1.537
481 HD22 LEU 62 HD22 LEU 62 2.082 6.823 -3.041
482 HD23 LEU 62 HD23 LEU 62 3.356 5.623 -2.861
483 H VAL 63 H VAL 63 4.952 3.318 -4.519
484 HA VAL 63 HA VAL 63 6.605 4.121 -2.204
485 HB VAL 63 HB VAL 63 7.469 3.729 -5.102
486 HG11 VAL 63 HG11 VAL 63 8.965 5.259 -3.898
487 HG12 VAL 63 HG12 VAL 63 9.783 3.732 -4.227
488 HG13 VAL 63 HG13 VAL 63 9.174 4.072 -2.605
489 HG21 VAL 63 HG21 VAL 63 7.790 1.795 -2.770
490 HG22 VAL 63 HG22 VAL 63 8.466 1.582 -4.386
491 HG23 VAL 63 HG23 VAL 63 6.718 1.582 -4.158
492 H LEU 64 H LEU 64 7.145 6.218 -1.860
493 HA LEU 64 HA LEU 64 6.479 8.300 -3.851
494 HB2 LEU 64 HB2 LEU 64 5.002 7.894 -1.533
495 HB3 LEU 64 HB3 LEU 64 6.157 9.084 -0.982
496 HG LEU 64 HG LEU 64 4.213 10.291 -1.655
497 HD11 LEU 64 HD11 LEU 64 4.942 11.740 -3.456
498 HD12 LEU 64 HD12 LEU 64 6.149 10.554 -3.964
499 HD13 LEU 64 HD13 LEU 64 6.295 11.349 -2.397
500 HD21 LEU 64 HD21 LEU 64 3.106 8.540 -2.928
501 HD22 LEU 64 HD22 LEU 64 4.235 8.760 -4.266
502 HD23 LEU 64 HD23 LEU 64 3.112 10.052 -3.831
503 HA PRO 65 HA PRO 65 10.943 9.006 -2.809
504 HB2 PRO 65 HB2 PRO 65 11.402 10.654 -5.002
505 HB3 PRO 65 HB3 PRO 65 11.524 8.891 -5.036
506 HG2 PRO 65 HG2 PRO 65 9.220 10.648 -5.876
507 HG3 PRO 65 HG3 PRO 65 9.911 9.238 -6.711
508 HD2 PRO 65 HD2 PRO 65 7.649 9.026 -5.269
509 HD3 PRO 65 HD3 PRO 65 8.848 7.712 -5.279
510 H ALA 66 H ALA 66 9.406 11.908 -4.335
511 HA ALA 66 HA ALA 66 10.244 13.607 -2.100
512 HB1 ALA 66 HB1 ALA 66 9.490 15.477 -3.516
513 HB2 ALA 66 HB2 ALA 66 8.844 14.337 -4.699
514 HB3 ALA 66 HB3 ALA 66 10.582 14.419 -4.410
515 H THR 67 H THR 67 8.821 12.487 -0.574
516 HA THR 67 HA THR 67 6.028 12.315 -0.730
517 HB THR 67 HB THR 67 7.773 12.464 1.761
518 HG1 THR 67 HG1 THR 67 7.910 10.291 1.562
519 HG21 THR 67 HG21 THR 67 4.929 11.409 1.496
520 HG22 THR 67 HG22 THR 67 5.398 12.871 2.363
521 HG23 THR 67 HG23 THR 67 5.940 11.296 2.944
522 H GLN 68 H GLN 68 7.902 14.673 1.224
523 HA GLN 68 HA GLN 68 7.570 16.849 1.853
524 HB2 GLN 68 HB2 GLN 68 5.599 16.937 -0.482
525 HB3 GLN 68 HB3 GLN 68 6.330 18.335 0.296
526 HG2 GLN 68 HG2 GLN 68 8.510 17.767 -0.577
527 HG3 GLN 68 HG3 GLN 68 7.921 16.221 -1.189
528 HE21 GLN 68 HE21 GLN 68 9.213 18.346 -2.690
529 HE22 GLN 68 HE22 GLN 68 8.105 18.813 -3.925
530 HA PRO 69 HA PRO 69 3.626 17.263 4.330
531 HB2 PRO 69 HB2 PRO 69 2.764 19.875 3.733
532 HB3 PRO 69 HB3 PRO 69 3.924 19.458 4.999
533 HG2 PRO 69 HG2 PRO 69 4.446 20.394 2.183
534 HG3 PRO 69 HG3 PRO 69 5.240 20.890 3.693
535 HD2 PRO 69 HD2 PRO 69 6.450 19.168 2.045
536 HD3 PRO 69 HD3 PRO 69 6.534 18.916 3.805
537 H SER 70 H SER 70 3.768 17.806 0.896
538 HA SER 70 HA SER 70 1.166 17.855 -0.006
539 HB2 SER 70 HB2 SER 70 3.457 16.232 -1.194
540 HB3 SER 70 HB3 SER 70 2.027 16.792 -2.059
541 HG SER 70 HG SER 70 4.077 18.074 -2.187
542 H ASP 71 H ASP 71 3.086 14.882 0.710
543 HA ASP 71 HA ASP 71 0.613 13.249 0.657
544 HB2 ASP 71 HB2 ASP 71 3.535 12.534 0.224
545 HB3 ASP 71 HB3 ASP 71 2.313 11.298 0.521
546 H GLY 72 H GLY 72 1.491 14.908 2.957
547 HA2 GLY 72 HA2 GLY 72 2.074 12.986 5.091
548 HA3 GLY 72 HA3 GLY 72 1.846 14.718 5.265
549 H GLY 73 H GLY 73 -0.149 11.967 4.102
550 HA2 GLY 73 HA2 GLY 73 -2.293 12.582 6.008
551 HA3 GLY 73 HA3 GLY 73 -2.675 12.817 4.307
552 H GLU 74 H GLU 74 -4.353 11.184 4.815
553 HA GLU 74 HA GLU 74 -3.591 8.483 5.513
554 HB2 GLU 74 HB2 GLU 74 -6.258 9.678 4.686
555 HB3 GLU 74 HB3 GLU 74 -6.048 8.020 5.245
556 HG2 GLU 74 HG2 GLU 74 -5.353 8.787 7.442
557 HG3 GLU 74 HG3 GLU 74 -5.353 10.467 6.900
558 H PHE 75 H PHE 75 -3.911 6.609 4.267
559 HA PHE 75 HA PHE 75 -4.329 6.824 1.367
560 HB2 PHE 75 HB2 PHE 75 -1.972 5.468 2.735
561 HB3 PHE 75 HB3 PHE 75 -2.419 5.142 1.064
562 HD1 PHE 75 HD2 PHE 75 -0.930 7.636 3.355
563 HD2 PHE 75 HD1 PHE 75 -2.060 6.811 -0.688
564 HE1 PHE 75 HE2 PHE 75 0.424 9.541 2.579
565 HE2 PHE 75 HE1 PHE 75 -0.701 8.710 -1.445
566 HZ PHE 75 HZ PHE 75 0.543 10.077 0.179
567 H GLN 76 H GLN 76 -5.576 5.173 0.542
568 HA GLN 76 HA GLN 76 -6.348 2.933 2.349
569 HB2 GLN 76 HB2 GLN 76 -8.113 4.654 2.224
570 HB3 GLN 76 HB3 GLN 76 -8.105 4.559 0.468
571 HG2 GLN 76 HG2 GLN 76 -8.880 2.182 0.639
572 HG3 GLN 76 HG3 GLN 76 -8.988 2.386 2.391
573 HE21 GLN 76 HE21 GLN 76 -10.411 3.231 -0.686
574 HE22 GLN 76 HE22 GLN 76 -11.866 3.905 -0.054
575 H CYS 77 H CYS 77 -5.677 1.036 1.485
576 HA CYS 77 HA CYS 77 -5.485 0.670 -1.444
577 HB2 CYS 77 HB2 CYS 77 -3.488 0.049 -0.134
578 HB3 CYS 77 HB3 CYS 77 -4.444 -1.071 0.831
579 HG CYS 77 HG CYS 77 -3.803 -3.060 -0.648
580 H VAL 78 H VAL 78 -7.568 0.199 -2.141
581 HA VAL 78 HA VAL 78 -9.167 -1.892 -0.864
582 HB VAL 78 HB VAL 78 -9.772 -0.283 -3.388
583 HG11 VAL 78 HG11 VAL 78 -11.003 -2.412 -3.363
584 HG12 VAL 78 HG12 VAL 78 -12.113 -1.070 -3.092
585 HG13 VAL 78 HG13 VAL 78 -11.602 -2.076 -1.735
586 HG21 VAL 78 HG21 VAL 78 -9.635 1.186 -1.417
587 HG22 VAL 78 HG22 VAL 78 -10.779 0.158 -0.551
588 HG23 VAL 78 HG23 VAL 78 -11.304 1.052 -1.979
589 H ALA 79 H ALA 79 -8.503 -3.923 -1.280
590 HA ALA 79 HA ALA 79 -7.234 -4.848 -3.673
591 HB1 ALA 79 HB1 ALA 79 -7.520 -7.089 -2.695
592 HB2 ALA 79 HB2 ALA 79 -8.614 -6.429 -1.475
593 HB3 ALA 79 HB3 ALA 79 -6.916 -5.949 -1.491
594 H GLY 80 H GLY 80 -10.561 -4.728 -2.549
595 HA2 GLY 80 HA2 GLY 80 -12.126 -4.623 -4.658
596 HA3 GLY 80 HA3 GLY 80 -11.615 -6.300 -4.817
597 H ASP 81 H ASP 81 -11.614 -7.290 -2.370
598 HA ASP 81 HA ASP 81 -14.402 -7.205 -1.454
599 HB2 ASP 81 HB2 ASP 81 -13.427 -9.405 -1.971
600 HB3 ASP 81 HB3 ASP 81 -12.107 -9.113 -0.844
601 H GLU 82 H GLU 82 -11.104 -7.109 -0.042
602 HA GLU 82 HA GLU 82 -12.115 -5.658 2.331
603 HB2 GLU 82 HB2 GLU 82 -9.462 -7.080 1.856
604 HB3 GLU 82 HB3 GLU 82 -9.899 -6.251 3.347
605 HG2 GLU 82 HG2 GLU 82 -11.491 -8.580 2.242
606 HG3 GLU 82 HG3 GLU 82 -10.113 -8.793 3.311
607 H CYS 83 H CYS 83 -10.790 -3.905 3.199
608 HA CYS 83 HA CYS 83 -9.027 -2.466 1.320
609 HB2 CYS 83 HB2 CYS 83 -10.133 -0.306 1.917
610 HB3 CYS 83 HB3 CYS 83 -11.219 -1.405 1.077
611 HG CYS 83 HG CYS 83 -11.309 -1.387 4.468
612 H ALA 84 H ALA 84 -7.145 -2.047 2.284
613 HA ALA 84 HA ALA 84 -6.843 -2.106 5.205
614 HB1 ALA 84 HB1 ALA 84 -4.731 -2.030 3.015
615 HB2 ALA 84 HB2 ALA 84 -5.309 -3.480 3.835
616 HB3 ALA 84 HB3 ALA 84 -4.426 -2.250 4.741
617 H TYR 85 H TYR 85 -5.931 -0.380 6.376
618 HA TYR 85 HA TYR 85 -6.065 2.269 5.045
619 HB2 TYR 85 HB2 TYR 85 -6.845 1.518 7.891
620 HB3 TYR 85 HB3 TYR 85 -6.812 3.165 7.267
621 HD1 TYR 85 HD2 TYR 85 -8.502 3.892 5.557
622 HD2 TYR 85 HD1 TYR 85 -8.689 0.001 7.330
623 HE1 TYR 85 HE2 TYR 85 -10.817 3.637 4.765
624 HE2 TYR 85 HE1 TYR 85 -11.003 -0.243 6.530
625 HH TYR 85 HH TYR 85 -12.887 1.216 5.890
626 H PHE 86 H PHE 86 -4.343 3.443 5.084
627 HA PHE 86 HA PHE 86 -2.187 3.132 7.087
628 HB2 PHE 86 HB2 PHE 86 -1.896 4.050 4.180
629 HB3 PHE 86 HB3 PHE 86 -0.589 3.835 5.341
630 HD1 PHE 86 HD2 PHE 86 0.124 1.548 6.017
631 HD2 PHE 86 HD1 PHE 86 -2.852 2.147 3.002
632 HE1 PHE 86 HE2 PHE 86 0.383 -0.787 5.287
633 HE2 PHE 86 HE1 PHE 86 -2.585 -0.193 2.283
634 HZ PHE 86 HZ PHE 86 -0.970 -1.659 3.425
635 H THR 87 H THR 87 -1.130 5.143 7.686
636 HA THR 87 HA THR 87 -2.245 7.680 6.698
637 HB THR 87 HB THR 87 -2.180 7.039 9.688
638 HG1 THR 87 HG1 THR 87 -4.224 7.056 7.772
639 HG21 THR 87 HG21 THR 87 -3.205 9.275 10.000
640 HG22 THR 87 HG22 THR 87 -3.035 9.595 8.274
641 HG23 THR 87 HG23 THR 87 -1.597 9.408 9.282
642 H VAL 88 H VAL 88 -0.467 8.685 5.986
643 HA VAL 88 HA VAL 88 2.114 8.448 7.319
644 HB VAL 88 HB VAL 88 1.327 10.009 4.816
645 HG11 VAL 88 HG11 VAL 88 4.108 9.480 5.943
646 HG12 VAL 88 HG12 VAL 88 3.297 11.045 5.877
647 HG13 VAL 88 HG13 VAL 88 3.766 10.233 4.383
648 HG21 VAL 88 HG21 VAL 88 2.493 8.207 3.572
649 HG22 VAL 88 HG22 VAL 88 1.133 7.572 4.502
650 HG23 VAL 88 HG23 VAL 88 2.784 7.348 5.087
651 H THR 89 H THR 89 2.821 9.872 8.793
652 HA THR 89 HA THR 89 1.508 12.515 9.121
653 HB THR 89 HB THR 89 2.396 10.658 11.381
654 HG1 THR 89 HG1 THR 89 -0.078 11.082 10.119
655 HG21 THR 89 HG21 THR 89 0.886 13.308 11.522
656 HG22 THR 89 HG22 THR 89 2.567 13.062 12.003
657 HG23 THR 89 HG23 THR 89 1.270 12.262 12.888
658 H ILE 90 H ILE 90 2.922 14.169 9.027
659 HA ILE 90 HA ILE 90 5.834 13.665 9.398
660 HB ILE 90 HB ILE 90 4.488 15.663 7.518
661 HG12 ILE 90 HG12 ILE 90 5.877 13.003 6.924
662 HG13 ILE 90 HG13 ILE 90 4.174 13.371 6.692
663 HG21 ILE 90 HG21 ILE 90 7.439 14.998 7.830
664 HG22 ILE 90 HG22 ILE 90 6.656 16.498 8.332
665 HG23 ILE 90 HG23 ILE 90 6.751 16.086 6.621
666 HD11 ILE 90 HD11 ILE 90 5.327 13.334 4.589
667 HD12 ILE 90 HD12 ILE 90 6.487 14.535 5.152
668 HD13 ILE 90 HD13 ILE 90 4.790 14.976 4.931
Start of MODEL 7
1 H HIS 1 H1 HIS 1 -19.993 -15.774 -6.882
2 HA HIS 1 HA HIS 1 -18.228 -14.364 -6.092
3 HB2 HIS 1 HB2 HIS 1 -19.645 -12.961 -4.488
4 HB3 HIS 1 HB3 HIS 1 -20.390 -13.359 -6.026
5 HD1 HIS 1 HD1 HIS 1 -22.632 -14.490 -5.946
6 HD2 HIS 1 HD2 HIS 1 -20.751 -14.497 -2.240
7 HE1 HIS 1 HE1 HIS 1 -24.332 -15.362 -4.330
8 HE2 HIS 1 HE2 HIS 1 -23.121 -15.522 -2.141
9 H MET 2 H MET 2 -16.523 -14.172 -4.802
10 HA MET 2 HA MET 2 -16.676 -14.860 -1.947
11 HB2 MET 2 HB2 MET 2 -15.608 -16.817 -3.048
12 HB3 MET 2 HB3 MET 2 -14.417 -15.762 -3.796
13 HG2 MET 2 HG2 MET 2 -13.574 -15.161 -1.533
14 HG3 MET 2 HG3 MET 2 -14.728 -16.295 -0.830
15 HE1 MET 2 HE1 MET 2 -11.553 -16.434 -0.222
16 HE2 MET 2 HE2 MET 2 -11.294 -18.175 -0.344
17 HE3 MET 2 HE3 MET 2 -12.735 -17.557 0.459
18 HA PRO 3 HA PRO 3 -14.915 -10.682 -2.136
19 HB2 PRO 3 HB2 PRO 3 -14.846 -10.113 0.524
20 HB3 PRO 3 HB3 PRO 3 -16.359 -10.179 -0.388
21 HG2 PRO 3 HG2 PRO 3 -15.119 -12.286 1.385
22 HG3 PRO 3 HG3 PRO 3 -16.806 -11.729 1.326
23 HD2 PRO 3 HD2 PRO 3 -15.958 -14.010 0.069
24 HD3 PRO 3 HD3 PRO 3 -17.300 -13.022 -0.548
25 H VAL 4 H VAL 4 -12.833 -10.739 -2.878
26 HA VAL 4 HA VAL 4 -10.645 -12.087 -1.679
27 HB VAL 4 HB VAL 4 -10.549 -11.587 -4.046
28 HG11 VAL 4 HG11 VAL 4 -10.511 -8.623 -3.371
29 HG12 VAL 4 HG12 VAL 4 -11.844 -9.501 -4.120
30 HG13 VAL 4 HG13 VAL 4 -10.317 -9.318 -4.984
31 HG21 VAL 4 HG21 VAL 4 -8.267 -10.650 -4.253
32 HG22 VAL 4 HG22 VAL 4 -8.375 -11.762 -2.890
33 HG23 VAL 4 HG23 VAL 4 -8.366 -10.021 -2.607
34 H HIS 5 H HIS 5 -9.516 -11.591 0.092
35 HA HIS 5 HA HIS 5 -9.780 -8.890 1.286
36 HB2 HIS 5 HB2 HIS 5 -9.729 -11.632 2.586
37 HB3 HIS 5 HB3 HIS 5 -9.373 -10.172 3.506
38 HD1 HIS 5 HD1 HIS 5 -11.874 -9.090 1.245
39 HD2 HIS 5 HD2 HIS 5 -11.910 -11.429 4.683
40 HE1 HIS 5 HE1 HIS 5 -14.199 -8.920 2.150
41 HE2 HIS 5 HE2 HIS 5 -14.151 -10.192 4.305
42 H ILE 6 H ILE 6 -8.120 -8.102 2.565
43 HA ILE 6 HA ILE 6 -5.466 -8.455 1.424
44 HB ILE 6 HB ILE 6 -6.504 -6.477 3.507
45 HG12 ILE 6 HG12 ILE 6 -6.166 -5.997 0.507
46 HG13 ILE 6 HG13 ILE 6 -7.699 -6.454 1.237
47 HG21 ILE 6 HG21 ILE 6 -4.552 -5.079 2.868
48 HG22 ILE 6 HG22 ILE 6 -3.979 -6.365 1.802
49 HG23 ILE 6 HG23 ILE 6 -4.048 -6.629 3.546
50 HD11 ILE 6 HD11 ILE 6 -7.547 -4.085 0.803
51 HD12 ILE 6 HD12 ILE 6 -6.147 -3.960 1.868
52 HD13 ILE 6 HD13 ILE 6 -7.726 -4.419 2.524
53 H VAL 7 H VAL 7 -4.276 -10.035 2.279
54 HA VAL 7 HA VAL 7 -4.636 -11.015 4.991
55 HB VAL 7 HB VAL 7 -3.007 -12.776 4.326
56 HG11 VAL 7 HG11 VAL 7 -5.213 -12.352 2.259
57 HG12 VAL 7 HG12 VAL 7 -5.402 -13.124 3.835
58 HG13 VAL 7 HG13 VAL 7 -4.398 -13.883 2.601
59 HG21 VAL 7 HG21 VAL 7 -2.851 -11.313 1.654
60 HG22 VAL 7 HG22 VAL 7 -2.143 -12.893 2.003
61 HG23 VAL 7 HG23 VAL 7 -1.545 -11.458 2.836
62 H ASP 8 H ASP 8 -2.459 -8.862 3.361
63 HA ASP 8 HA ASP 8 -0.932 -8.322 5.795
64 HB2 ASP 8 HB2 ASP 8 0.396 -10.087 4.756
65 HB3 ASP 8 HB3 ASP 8 0.336 -9.281 3.194
66 HA PRO 9 HA PRO 9 0.166 -6.724 6.722
67 HB2 PRO 9 HB2 PRO 9 -0.028 -4.233 7.764
68 HB3 PRO 9 HB3 PRO 9 1.284 -4.665 6.656
69 HG2 PRO 9 HG2 PRO 9 -1.307 -3.232 6.045
70 HG3 PRO 9 HG3 PRO 9 0.345 -2.794 5.561
71 HD2 PRO 9 HD2 PRO 9 -1.369 -4.123 3.900
72 HD3 PRO 9 HD3 PRO 9 0.394 -4.355 3.838
73 H ARG 10 H ARG 10 -2.802 -5.852 5.449
74 HA ARG 10 HA ARG 10 -4.906 -6.367 5.913
75 HB2 ARG 10 HB2 ARG 10 -3.849 -8.337 7.093
76 HB3 ARG 10 HB3 ARG 10 -3.975 -7.434 8.603
77 HG2 ARG 10 HG2 ARG 10 -6.408 -7.357 8.373
78 HG3 ARG 10 HG3 ARG 10 -6.302 -8.185 6.817
79 HD2 ARG 10 HD2 ARG 10 -5.553 -9.310 9.532
80 HD3 ARG 10 HD3 ARG 10 -6.921 -9.792 8.521
81 HE ARG 10 HE ARG 10 -4.369 -10.129 7.221
82 HH11 ARG 10 HH11 ARG 10 -6.608 -11.678 9.360
83 HH12 ARG 10 HH12 ARG 10 -5.970 -13.247 9.032
84 HH21 ARG 10 HH21 ARG 10 -3.573 -12.143 6.846
85 HH22 ARG 10 HH22 ARG 10 -4.282 -13.508 7.628
86 H GLU 11 H GLU 11 -3.615 -5.365 9.090
87 HA GLU 11 HA GLU 11 -5.985 -3.925 9.828
88 HB2 GLU 11 HB2 GLU 11 -4.771 -3.471 11.919
89 HB3 GLU 11 HB3 GLU 11 -4.633 -5.166 11.460
90 HG2 GLU 11 HG2 GLU 11 -2.343 -4.735 10.592
91 HG3 GLU 11 HG3 GLU 11 -2.480 -3.045 11.084
92 H HIS 12 H HIS 12 -5.583 -1.709 10.987
93 HA HIS 12 HA HIS 12 -4.794 0.293 9.071
94 HB2 HIS 12 HB2 HIS 12 -6.741 0.513 10.648
95 HB3 HIS 12 HB3 HIS 12 -5.619 0.589 11.996
96 HD1 HIS 12 HD1 HIS 12 -7.571 2.701 9.937
97 HD2 HIS 12 HD2 HIS 12 -3.773 3.008 11.607
98 HE1 HIS 12 HE1 HIS 12 -7.051 5.153 9.986
99 HE2 HIS 12 HE2 HIS 12 -4.883 5.310 11.234
100 H VAL 13 H VAL 13 -2.654 0.639 8.733
101 HA VAL 13 HA VAL 13 -0.681 0.462 10.931
102 HB VAL 13 HB VAL 13 -0.241 0.598 7.908
103 HG11 VAL 13 HG11 VAL 13 1.718 1.468 9.113
104 HG12 VAL 13 HG12 VAL 13 2.094 -0.091 8.382
105 HG13 VAL 13 HG13 VAL 13 1.778 0.015 10.114
106 HG21 VAL 13 HG21 VAL 13 0.289 -1.823 8.051
107 HG22 VAL 13 HG22 VAL 13 -1.372 -1.493 8.543
108 HG23 VAL 13 HG23 VAL 13 -0.140 -1.817 9.765
109 H PHE 14 H PHE 14 0.543 2.219 11.575
110 HA PHE 14 HA PHE 14 0.064 4.884 10.387
111 HB2 PHE 14 HB2 PHE 14 -0.282 4.688 12.834
112 HB3 PHE 14 HB3 PHE 14 1.352 4.072 13.039
113 HD1 PHE 14 HD1 PHE 14 -0.666 7.083 12.273
114 HD2 PHE 14 HD2 PHE 14 3.263 5.601 13.084
115 HE1 PHE 14 HE1 PHE 14 0.148 9.382 12.576
116 HE2 PHE 14 HE2 PHE 14 4.066 7.911 13.389
117 HZ PHE 14 HZ PHE 14 2.506 9.800 13.131
118 H VAL 15 H VAL 15 1.707 5.990 9.372
119 HA VAL 15 HA VAL 15 4.493 4.989 9.509
120 HB VAL 15 HB VAL 15 3.112 6.036 6.984
121 HG11 VAL 15 HG11 VAL 15 5.969 5.048 7.356
122 HG12 VAL 15 HG12 VAL 15 5.479 6.712 7.040
123 HG13 VAL 15 HG13 VAL 15 5.231 5.475 5.808
124 HG21 VAL 15 HG21 VAL 15 4.055 3.219 7.649
125 HG22 VAL 15 HG22 VAL 15 3.434 3.737 6.081
126 HG23 VAL 15 HG23 VAL 15 2.379 3.746 7.495
127 H HIS 16 H HIS 16 5.776 6.570 10.363
128 HA HIS 16 HA HIS 16 5.030 9.395 10.167
129 HB2 HIS 16 HB2 HIS 16 5.926 8.585 12.321
130 HB3 HIS 16 HB3 HIS 16 7.425 8.097 11.538
131 HD1 HIS 16 HD1 HIS 16 9.241 9.815 11.496
132 HD2 HIS 16 HD2 HIS 16 5.510 11.515 12.189
133 HE1 HIS 16 HE1 HIS 16 9.676 12.249 11.892
134 HE2 HIS 16 HE2 HIS 16 7.402 13.282 12.128
135 H ALA 17 H ALA 17 5.416 10.247 8.230
136 HA ALA 17 HA ALA 17 7.660 9.501 6.526
137 HB1 ALA 17 HB1 ALA 17 5.387 11.464 6.095
138 HB2 ALA 17 HB2 ALA 17 5.408 9.773 5.594
139 HB3 ALA 17 HB3 ALA 17 6.534 10.918 4.864
140 H ILE 18 H ILE 18 9.176 10.958 5.690
141 HA ILE 18 HA ILE 18 9.343 13.725 6.749
142 HB ILE 18 HB ILE 18 11.661 11.822 6.153
143 HG12 ILE 18 HG12 ILE 18 10.627 11.443 8.386
144 HG13 ILE 18 HG13 ILE 18 12.278 12.032 8.528
145 HG21 ILE 18 HG21 ILE 18 12.283 14.044 5.359
146 HG22 ILE 18 HG22 ILE 18 13.209 13.648 6.807
147 HG23 ILE 18 HG23 ILE 18 11.841 14.761 6.912
148 HD11 ILE 18 HD11 ILE 18 10.843 13.050 10.186
149 HD12 ILE 18 HD12 ILE 18 9.762 13.656 8.934
150 HD13 ILE 18 HD13 ILE 18 11.411 14.278 9.056
151 H THR 19 H THR 19 9.823 15.283 5.177
152 HA THR 19 HA THR 19 8.966 14.967 2.552
153 HB THR 19 HB THR 19 10.136 17.183 2.075
154 HG1 THR 19 HG1 THR 19 11.177 18.198 3.836
155 HG21 THR 19 HG21 THR 19 8.739 18.513 3.610
156 HG22 THR 19 HG22 THR 19 8.475 17.093 4.619
157 HG23 THR 19 HG23 THR 19 7.830 17.137 2.977
158 H SER 20 H SER 20 12.295 14.823 3.778
159 HA SER 20 HA SER 20 13.507 14.561 1.151
160 HB2 SER 20 HB2 SER 20 14.674 15.750 2.991
161 HB3 SER 20 HB3 SER 20 14.758 14.255 3.914
162 HG SER 20 HG SER 20 15.804 13.938 1.411
163 H GLU 21 H GLU 21 11.883 12.305 3.021
164 HA GLU 21 HA GLU 21 13.606 10.028 2.193
165 HB2 GLU 21 HB2 GLU 21 11.591 10.161 4.478
166 HB3 GLU 21 HB3 GLU 21 12.579 8.761 4.063
167 HG2 GLU 21 HG2 GLU 21 13.593 11.450 5.058
168 HG3 GLU 21 HG3 GLU 21 13.484 9.966 6.001
169 H CYS 22 H CYS 22 12.600 8.110 1.466
170 HA CYS 22 HA CYS 22 10.172 8.536 -0.127
171 HB2 CYS 22 HB2 CYS 22 12.188 6.250 -0.207
172 HB3 CYS 22 HB3 CYS 22 10.879 6.518 -1.358
173 HG CYS 22 HG CYS 22 12.580 9.266 -1.286
174 H VAL 23 H VAL 23 8.248 7.745 0.526
175 HA VAL 23 HA VAL 23 8.098 5.793 2.741
176 HB VAL 23 HB VAL 23 5.978 7.647 1.555
177 HG11 VAL 23 HG11 VAL 23 4.859 5.597 2.337
178 HG12 VAL 23 HG12 VAL 23 4.489 6.939 3.420
179 HG13 VAL 23 HG13 VAL 23 5.674 5.720 3.896
180 HG21 VAL 23 HG21 VAL 23 7.702 8.788 2.896
181 HG22 VAL 23 HG22 VAL 23 7.399 7.693 4.247
182 HG23 VAL 23 HG23 VAL 23 6.146 8.820 3.726
183 H MET 24 H MET 24 7.835 3.722 2.255
184 HA MET 24 HA MET 24 6.497 2.879 -0.256
185 HB2 MET 24 HB2 MET 24 8.481 1.387 1.520
186 HB3 MET 24 HB3 MET 24 7.724 0.723 0.078
187 HG2 MET 24 HG2 MET 24 8.857 2.402 -1.302
188 HG3 MET 24 HG3 MET 24 9.587 3.107 0.140
189 HE1 MET 24 HE1 MET 24 9.089 -0.795 -0.359
190 HE2 MET 24 HE2 MET 24 10.565 -1.213 -1.229
191 HE3 MET 24 HE3 MET 24 9.333 -0.223 -2.009
192 H LEU 25 H LEU 25 4.358 2.913 0.469
193 HA LEU 25 HA LEU 25 3.428 1.411 2.774
194 HB2 LEU 25 HB2 LEU 25 1.867 2.573 0.429
195 HB3 LEU 25 HB3 LEU 25 1.178 2.019 1.951
196 HG LEU 25 HG LEU 25 3.045 4.406 1.637
197 HD11 LEU 25 HD11 LEU 25 0.049 4.363 2.110
198 HD12 LEU 25 HD12 LEU 25 0.864 4.846 0.621
199 HD13 LEU 25 HD13 LEU 25 1.078 5.799 2.086
200 HD21 LEU 25 HD21 LEU 25 3.298 3.355 3.836
201 HD22 LEU 25 HD22 LEU 25 1.552 3.416 4.094
202 HD23 LEU 25 HD23 LEU 25 2.485 4.910 3.986
203 H ALA 26 H ALA 26 3.307 -0.833 2.714
204 HA ALA 26 HA ALA 26 3.155 -2.227 0.119
205 HB1 ALA 26 HB1 ALA 26 3.817 -4.234 1.352
206 HB2 ALA 26 HB2 ALA 26 3.709 -3.355 2.878
207 HB3 ALA 26 HB3 ALA 26 4.929 -2.905 1.688
208 H CYS 27 H CYS 27 1.503 -3.589 -0.460
209 HA CYS 27 HA CYS 27 -0.522 -4.432 1.494
210 HB2 CYS 27 HB2 CYS 27 -1.552 -2.493 0.382
211 HB3 CYS 27 HB3 CYS 27 -1.236 -3.201 -1.201
212 HG CYS 27 HG CYS 27 -4.006 -3.364 -0.218
213 H GLU 28 H GLU 28 -1.397 -6.442 1.075
214 HA GLU 28 HA GLU 28 -0.772 -7.943 -1.340
215 HB2 GLU 28 HB2 GLU 28 1.184 -8.484 0.082
216 HB3 GLU 28 HB3 GLU 28 0.121 -8.894 1.427
217 HG2 GLU 28 HG2 GLU 28 -0.853 -10.738 -0.033
218 HG3 GLU 28 HG3 GLU 28 0.421 -10.381 -1.199
219 H VAL 29 H VAL 29 -2.493 -9.116 -1.890
220 HA VAL 29 HA VAL 29 -4.560 -9.841 0.111
221 HB VAL 29 HB VAL 29 -6.128 -10.018 -1.862
222 HG11 VAL 29 HG11 VAL 29 -6.106 -7.979 -0.503
223 HG12 VAL 29 HG12 VAL 29 -6.395 -7.576 -2.195
224 HG13 VAL 29 HG13 VAL 29 -4.801 -7.309 -1.486
225 HG21 VAL 29 HG21 VAL 29 -5.481 -9.000 -4.021
226 HG22 VAL 29 HG22 VAL 29 -4.466 -10.392 -3.645
227 HG23 VAL 29 HG23 VAL 29 -3.836 -8.759 -3.423
228 H ASP 30 H ASP 30 -5.856 -11.878 -0.717
229 HA ASP 30 HA ASP 30 -4.036 -14.094 -0.715
230 HB2 ASP 30 HB2 ASP 30 -6.074 -15.499 -0.649
231 HB3 ASP 30 HB3 ASP 30 -6.133 -14.207 0.539
232 H ARG 31 H ARG 31 -5.371 -12.279 -3.272
233 HA ARG 31 HA ARG 31 -4.799 -14.393 -5.290
234 HB2 ARG 31 HB2 ARG 31 -6.922 -12.203 -5.361
235 HB3 ARG 31 HB3 ARG 31 -6.491 -13.184 -6.761
236 HG2 ARG 31 HG2 ARG 31 -7.266 -15.202 -5.653
237 HG3 ARG 31 HG3 ARG 31 -7.571 -14.312 -4.160
238 HD2 ARG 31 HD2 ARG 31 -9.358 -13.045 -5.222
239 HD3 ARG 31 HD3 ARG 31 -8.983 -13.759 -6.790
240 HE ARG 31 HE ARG 31 -10.030 -15.717 -6.167
241 HH11 ARG 31 HH11 ARG 31 -9.934 -13.653 -3.372
242 HH12 ARG 31 HH12 ARG 31 -11.174 -14.538 -2.566
243 HH21 ARG 31 HH21 ARG 31 -11.590 -16.806 -5.114
244 HH22 ARG 31 HH22 ARG 31 -12.087 -16.317 -3.536
245 H GLU 32 H GLU 32 -2.944 -13.895 -6.397
246 HA GLU 32 HA GLU 32 -1.751 -11.392 -6.811
247 HB2 GLU 32 HB2 GLU 32 -0.551 -13.460 -7.306
248 HB3 GLU 32 HB3 GLU 32 -1.717 -13.902 -8.549
249 HG2 GLU 32 HG2 GLU 32 -0.980 -11.944 -9.896
250 HG3 GLU 32 HG3 GLU 32 0.227 -11.571 -8.670
251 H ASP 33 H ASP 33 -4.274 -13.060 -8.566
252 HA ASP 33 HA ASP 33 -4.686 -11.592 -10.852
253 HB2 ASP 33 HB2 ASP 33 -5.778 -13.743 -10.254
254 HB3 ASP 33 HB3 ASP 33 -6.759 -12.912 -9.054
255 H ALA 34 H ALA 34 -5.477 -10.606 -7.567
256 HA ALA 34 HA ALA 34 -7.196 -8.372 -8.438
257 HB1 ALA 34 HB1 ALA 34 -7.795 -8.156 -6.066
258 HB2 ALA 34 HB2 ALA 34 -6.621 -9.405 -5.639
259 HB3 ALA 34 HB3 ALA 34 -8.029 -9.814 -6.619
260 HA PRO 35 HA PRO 35 -3.606 -5.607 -7.508
261 HB2 PRO 35 HB2 PRO 35 -4.474 -3.775 -9.551
262 HB3 PRO 35 HB3 PRO 35 -3.113 -4.889 -9.637
263 HG2 PRO 35 HG2 PRO 35 -5.445 -5.066 -11.186
264 HG3 PRO 35 HG3 PRO 35 -4.274 -6.375 -10.941
265 HD2 PRO 35 HD2 PRO 35 -6.911 -5.903 -9.568
266 HD3 PRO 35 HD3 PRO 35 -6.154 -7.430 -10.074
267 H VAL 36 H VAL 36 -3.979 -4.321 -5.730
268 HA VAL 36 HA VAL 36 -6.639 -3.598 -4.961
269 HB VAL 36 HB VAL 36 -5.679 -2.702 -2.898
270 HG11 VAL 36 HG11 VAL 36 -5.873 -5.149 -3.072
271 HG12 VAL 36 HG12 VAL 36 -4.494 -4.705 -2.069
272 HG13 VAL 36 HG13 VAL 36 -4.237 -5.251 -3.729
273 HG21 VAL 36 HG21 VAL 36 -3.221 -2.568 -2.514
274 HG22 VAL 36 HG22 VAL 36 -3.743 -1.467 -3.787
275 HG23 VAL 36 HG23 VAL 36 -2.939 -2.978 -4.209
276 H ARG 37 H ARG 37 -7.394 -1.465 -4.352
277 HA ARG 37 HA ARG 37 -6.743 0.540 -6.407
278 HB2 ARG 37 HB2 ARG 37 -9.119 0.366 -4.498
279 HB3 ARG 37 HB3 ARG 37 -8.936 1.542 -5.796
280 HG2 ARG 37 HG2 ARG 37 -9.210 -1.459 -6.174
281 HG3 ARG 37 HG3 ARG 37 -10.522 -0.288 -6.331
282 HD2 ARG 37 HD2 ARG 37 -9.278 0.805 -8.194
283 HD3 ARG 37 HD3 ARG 37 -8.028 -0.441 -8.061
284 HE ARG 37 HE ARG 37 -10.407 -1.805 -8.372
285 HH11 ARG 37 HH11 ARG 37 -8.668 0.504 -10.283
286 HH12 ARG 37 HH12 ARG 37 -9.285 -0.111 -11.772
287 HH21 ARG 37 HH21 ARG 37 -11.190 -2.560 -10.275
288 HH22 ARG 37 HH22 ARG 37 -10.711 -1.836 -11.768
289 H TRP 38 H TRP 38 -5.220 1.956 -5.742
290 HA TRP 38 HA TRP 38 -4.877 2.672 -2.940
291 HB2 TRP 38 HB2 TRP 38 -3.327 3.347 -5.474
292 HB3 TRP 38 HB3 TRP 38 -2.950 4.088 -3.922
293 HD1 TRP 38 HD1 TRP 38 -2.454 0.852 -5.870
294 HE1 TRP 38 HE1 TRP 38 -0.924 -0.705 -4.504
295 HE3 TRP 38 HE3 TRP 38 -2.370 3.440 -1.451
296 HZ2 TRP 38 HZ2 TRP 38 0.151 -0.836 -1.902
297 HZ3 TRP 38 HZ3 TRP 38 -1.066 2.532 0.430
298 HH2 TRP 38 HH2 TRP 38 0.173 0.432 0.204
299 H TYR 39 H TYR 39 -5.913 4.328 -2.041
300 HA TYR 39 HA TYR 39 -6.838 6.620 -3.688
301 HB2 TYR 39 HB2 TYR 39 -8.162 5.401 -1.229
302 HB3 TYR 39 HB3 TYR 39 -8.651 6.935 -1.942
303 HD1 TYR 39 HD2 TYR 39 -9.517 6.952 -4.345
304 HD2 TYR 39 HD1 TYR 39 -8.998 3.334 -2.132
305 HE1 TYR 39 HE2 TYR 39 -10.994 5.776 -5.918
306 HE2 TYR 39 HE1 TYR 39 -10.474 2.163 -3.711
307 HH TYR 39 HH TYR 39 -11.308 3.379 -6.695
308 H LYS 40 H LYS 40 -6.236 8.563 -3.126
309 HA LYS 40 HA LYS 40 -4.904 9.191 -0.587
310 HB2 LYS 40 HB2 LYS 40 -3.982 10.004 -2.772
311 HB3 LYS 40 HB3 LYS 40 -5.482 10.854 -3.096
312 HG2 LYS 40 HG2 LYS 40 -3.787 12.421 -2.406
313 HG3 LYS 40 HG3 LYS 40 -5.042 12.340 -1.166
314 HD2 LYS 40 HD2 LYS 40 -3.605 10.899 0.221
315 HD3 LYS 40 HD3 LYS 40 -2.364 10.902 -1.036
316 HE2 LYS 40 HE2 LYS 40 -3.332 13.338 0.485
317 HE3 LYS 40 HE3 LYS 40 -1.832 12.460 0.790
318 HZ1 LYS 40 HZ1 LYS 40 -2.523 13.863 -1.734
319 HZ2 LYS 40 HZ2 LYS 40 -1.074 13.045 -1.425
320 HZ3 LYS 40 HZ3 LYS 40 -1.467 14.436 -0.547
321 H ASP 41 H ASP 41 -5.812 11.289 0.524
322 HA ASP 41 HA ASP 41 -8.531 11.135 1.163
323 HB2 ASP 41 HB2 ASP 41 -6.835 12.298 2.555
324 HB3 ASP 41 HB3 ASP 41 -6.725 13.582 1.354
325 H GLY 42 H GLY 42 -10.139 11.318 -0.291
326 HA2 GLY 42 HA2 GLY 42 -11.737 12.609 -1.449
327 HA3 GLY 42 HA3 GLY 42 -10.518 13.815 -1.811
328 H GLN 43 H GLN 43 -8.585 12.065 -2.982
329 HA GLN 43 HA GLN 43 -9.889 11.338 -5.559
330 HB2 GLN 43 HB2 GLN 43 -7.916 12.302 -6.715
331 HB3 GLN 43 HB3 GLN 43 -8.742 13.522 -5.753
332 HG2 GLN 43 HG2 GLN 43 -7.009 13.218 -3.969
333 HG3 GLN 43 HG3 GLN 43 -6.151 12.105 -5.031
334 HE21 GLN 43 HE21 GLN 43 -5.126 12.947 -6.890
335 HE22 GLN 43 HE22 GLN 43 -4.759 14.623 -7.052
336 H GLU 44 H GLU 44 -8.682 9.669 -6.821
337 HA GLU 44 HA GLU 44 -7.378 7.726 -5.097
338 HB2 GLU 44 HB2 GLU 44 -7.418 6.207 -6.976
339 HB3 GLU 44 HB3 GLU 44 -8.981 7.008 -6.859
340 HG2 GLU 44 HG2 GLU 44 -8.309 8.534 -8.703
341 HG3 GLU 44 HG3 GLU 44 -6.785 7.661 -8.850
342 H VAL 45 H VAL 45 -5.281 6.851 -5.438
343 HA VAL 45 HA VAL 45 -3.237 8.767 -6.030
344 HB VAL 45 HB VAL 45 -3.032 5.798 -5.363
345 HG11 VAL 45 HG11 VAL 45 -1.016 6.485 -6.586
346 HG12 VAL 45 HG12 VAL 45 -0.634 6.202 -4.890
347 HG13 VAL 45 HG13 VAL 45 -0.789 7.853 -5.493
348 HG21 VAL 45 HG21 VAL 45 -2.601 8.244 -3.601
349 HG22 VAL 45 HG22 VAL 45 -2.397 6.562 -3.103
350 HG23 VAL 45 HG23 VAL 45 -3.994 7.161 -3.547
351 H GLU 46 H GLU 46 -2.913 9.315 -8.093
352 HA GLU 46 HA GLU 46 -2.751 7.292 -10.238
353 HB2 GLU 46 HB2 GLU 46 -2.792 10.342 -10.369
354 HB3 GLU 46 HB3 GLU 46 -2.733 9.268 -11.768
355 HG2 GLU 46 HG2 GLU 46 -4.942 8.378 -11.232
356 HG3 GLU 46 HG3 GLU 46 -4.996 9.321 -9.744
357 H GLU 47 H GLU 47 -0.841 6.936 -11.361
358 HA GLU 47 HA GLU 47 1.635 7.587 -10.061
359 HB2 GLU 47 HB2 GLU 47 1.106 6.221 -12.729
360 HB3 GLU 47 HB3 GLU 47 2.682 6.320 -11.944
361 HG2 GLU 47 HG2 GLU 47 1.744 5.050 -10.000
362 HG3 GLU 47 HG3 GLU 47 0.227 4.878 -10.885
363 H SER 48 H SER 48 3.352 8.801 -10.868
364 HA SER 48 HA SER 48 3.176 10.656 -13.052
365 HB2 SER 48 HB2 SER 48 1.601 11.695 -11.379
366 HB3 SER 48 HB3 SER 48 2.909 11.755 -10.200
367 HG SER 48 HG SER 48 2.383 13.371 -12.370
368 H ASP 49 H ASP 49 5.025 12.552 -12.247
369 HA ASP 49 HA ASP 49 7.547 11.260 -12.064
370 HB2 ASP 49 HB2 ASP 49 6.804 14.157 -11.447
371 HB3 ASP 49 HB3 ASP 49 8.433 13.563 -11.779
372 H PHE 50 H PHE 50 5.436 12.773 -9.663
373 HA PHE 50 HA PHE 50 7.324 12.400 -7.457
374 HB2 PHE 50 HB2 PHE 50 4.532 13.637 -7.504
375 HB3 PHE 50 HB3 PHE 50 5.605 13.621 -6.109
376 HD1 PHE 50 HD2 PHE 50 5.089 15.046 -9.493
377 HD2 PHE 50 HD1 PHE 50 7.473 15.186 -5.941
378 HE1 PHE 50 HE2 PHE 50 6.130 17.140 -10.269
379 HE2 PHE 50 HE1 PHE 50 8.510 17.278 -6.731
380 HZ PHE 50 HZ PHE 50 7.844 18.253 -8.892
381 H VAL 51 H VAL 51 4.993 10.430 -8.910
382 HA VAL 51 HA VAL 51 4.588 8.828 -6.442
383 HB VAL 51 HB VAL 51 2.393 9.295 -8.519
384 HG11 VAL 51 HG11 VAL 51 0.917 8.111 -6.930
385 HG12 VAL 51 HG12 VAL 51 2.284 7.833 -5.849
386 HG13 VAL 51 HG13 VAL 51 2.258 7.086 -7.448
387 HG21 VAL 51 HG21 VAL 51 2.562 10.481 -5.720
388 HG22 VAL 51 HG22 VAL 51 1.183 10.617 -6.814
389 HG23 VAL 51 HG23 VAL 51 2.721 11.369 -7.237
390 H VAL 52 H VAL 52 5.352 6.749 -6.798
391 HA VAL 52 HA VAL 52 4.836 5.482 -9.426
392 HB VAL 52 HB VAL 52 7.038 4.252 -9.276
393 HG11 VAL 52 HG11 VAL 52 8.432 6.098 -10.153
394 HG12 VAL 52 HG12 VAL 52 7.280 7.277 -9.522
395 HG13 VAL 52 HG13 VAL 52 6.791 6.164 -10.802
396 HG21 VAL 52 HG21 VAL 52 8.859 5.149 -7.846
397 HG22 VAL 52 HG22 VAL 52 7.520 4.541 -6.873
398 HG23 VAL 52 HG23 VAL 52 7.722 6.279 -7.101
399 H LEU 53 H LEU 53 3.764 3.591 -9.244
400 HA LEU 53 HA LEU 53 3.467 2.290 -6.633
401 HB2 LEU 53 HB2 LEU 53 2.127 1.689 -9.303
402 HB3 LEU 53 HB3 LEU 53 1.778 0.846 -7.798
403 HG LEU 53 HG LEU 53 1.242 3.795 -8.358
404 HD11 LEU 53 HD11 LEU 53 -1.137 3.208 -8.258
405 HD12 LEU 53 HD12 LEU 53 -0.724 1.502 -8.062
406 HD13 LEU 53 HD13 LEU 53 -0.312 2.348 -9.558
407 HD21 LEU 53 HD21 LEU 53 0.623 2.201 -5.840
408 HD22 LEU 53 HD22 LEU 53 0.083 3.850 -6.177
409 HD23 LEU 53 HD23 LEU 53 1.801 3.508 -5.997
410 H GLU 54 H GLU 54 4.491 0.437 -6.063
411 HA GLU 54 HA GLU 54 6.350 -0.839 -7.975
412 HB2 GLU 54 HB2 GLU 54 6.865 0.096 -5.490
413 HB3 GLU 54 HB3 GLU 54 6.295 -1.494 -5.018
414 HG2 GLU 54 HG2 GLU 54 8.622 -0.933 -6.881
415 HG3 GLU 54 HG3 GLU 54 8.760 -1.313 -5.168
416 H ASN 55 H ASN 55 6.375 -3.219 -8.140
417 HA ASN 55 HA ASN 55 3.830 -4.560 -7.476
418 HB2 ASN 55 HB2 ASN 55 3.550 -5.356 -9.782
419 HB3 ASN 55 HB3 ASN 55 3.566 -3.603 -9.738
420 HD21 ASN 55 HD21 ASN 55 6.483 -3.332 -9.644
421 HD22 ASN 55 HD22 ASN 55 7.061 -3.789 -11.192
422 H GLU 56 H GLU 56 4.033 -6.648 -6.854
423 HA GLU 56 HA GLU 56 5.999 -8.445 -7.960
424 HB2 GLU 56 HB2 GLU 56 7.325 -7.280 -6.130
425 HB3 GLU 56 HB3 GLU 56 6.187 -7.931 -4.955
426 HG2 GLU 56 HG2 GLU 56 6.812 -10.242 -5.721
427 HG3 GLU 56 HG3 GLU 56 8.049 -9.527 -6.754
428 H GLY 57 H GLY 57 4.030 -9.433 -8.592
429 HA2 GLY 57 HA2 GLY 57 2.438 -11.067 -8.507
430 HA3 GLY 57 HA3 GLY 57 3.135 -11.572 -6.981
431 HA PRO 58 HA PRO 58 -0.966 -10.188 -5.417
432 HB2 PRO 58 HB2 PRO 58 0.114 -11.122 -2.798
433 HB3 PRO 58 HB3 PRO 58 -1.359 -11.612 -3.642
434 HG2 PRO 58 HG2 PRO 58 0.759 -13.258 -3.480
435 HG3 PRO 58 HG3 PRO 58 -0.242 -13.195 -4.948
436 HD2 PRO 58 HD2 PRO 58 2.438 -11.894 -4.427
437 HD3 PRO 58 HD3 PRO 58 1.876 -12.779 -5.867
438 H HIS 59 H HIS 59 2.216 -9.192 -4.516
439 HA HIS 59 HA HIS 59 1.441 -7.173 -2.575
440 HB2 HIS 59 HB2 HIS 59 4.133 -7.760 -3.869
441 HB3 HIS 59 HB3 HIS 59 3.870 -6.574 -2.594
442 HD1 HIS 59 HD1 HIS 59 3.736 -7.412 -0.227
443 HD2 HIS 59 HD2 HIS 59 3.933 -10.488 -3.010
444 HE1 HIS 59 HE1 HIS 59 4.245 -9.473 1.096
445 HE2 HIS 59 HE2 HIS 59 4.119 -11.338 -0.576
446 H ARG 60 H ARG 60 0.544 -5.335 -3.255
447 HA ARG 60 HA ARG 60 1.710 -3.827 -5.533
448 HB2 ARG 60 HB2 ARG 60 -1.029 -3.361 -4.260
449 HB3 ARG 60 HB3 ARG 60 -0.421 -2.670 -5.762
450 HG2 ARG 60 HG2 ARG 60 -1.114 -5.593 -5.285
451 HG3 ARG 60 HG3 ARG 60 -2.111 -4.426 -6.157
452 HD2 ARG 60 HD2 ARG 60 -0.455 -4.247 -7.921
453 HD3 ARG 60 HD3 ARG 60 0.697 -5.229 -7.009
454 HE ARG 60 HE ARG 60 -1.639 -6.731 -7.384
455 HH11 ARG 60 HH11 ARG 60 0.984 -5.518 -9.294
456 HH12 ARG 60 HH12 ARG 60 0.842 -6.771 -10.471
457 HH21 ARG 60 HH21 ARG 60 -1.766 -8.346 -8.880
458 HH22 ARG 60 HH22 ARG 60 -0.689 -8.359 -10.231
459 H ARG 61 H ARG 61 2.849 -2.039 -4.905
460 HA ARG 61 HA ARG 61 2.563 -0.988 -2.148
461 HB2 ARG 61 HB2 ARG 61 5.098 -1.103 -3.833
462 HB3 ARG 61 HB3 ARG 61 4.974 -0.408 -2.221
463 HG2 ARG 61 HG2 ARG 61 4.487 -2.649 -1.300
464 HG3 ARG 61 HG3 ARG 61 4.599 -3.343 -2.920
465 HD2 ARG 61 HD2 ARG 61 6.963 -2.585 -3.059
466 HD3 ARG 61 HD3 ARG 61 6.845 -1.950 -1.412
467 HE ARG 61 HE ARG 61 6.434 -4.828 -1.987
468 HH11 ARG 61 HH11 ARG 61 8.061 -2.373 -0.171
469 HH12 ARG 61 HH12 ARG 61 9.048 -3.513 0.670
470 HH21 ARG 61 HH21 ARG 61 7.733 -6.255 -0.880
471 HH22 ARG 61 HH22 ARG 61 8.871 -5.661 0.276
472 H LEU 62 H LEU 62 2.830 1.229 -1.842
473 HA LEU 62 HA LEU 62 2.835 3.032 -4.190
474 HB2 LEU 62 HB2 LEU 62 0.859 2.995 -2.496
475 HB3 LEU 62 HB3 LEU 62 1.960 3.745 -1.363
476 HG LEU 62 HG LEU 62 1.033 4.956 -4.009
477 HD11 LEU 62 HD11 LEU 62 0.207 5.644 -1.175
478 HD12 LEU 62 HD12 LEU 62 -0.780 4.835 -2.394
479 HD13 LEU 62 HD13 LEU 62 -0.286 6.506 -2.637
480 HD21 LEU 62 HD21 LEU 62 2.033 7.081 -3.252
481 HD22 LEU 62 HD22 LEU 62 3.261 5.833 -3.439
482 HD23 LEU 62 HD23 LEU 62 2.698 6.276 -1.826
483 H VAL 63 H VAL 63 4.877 3.770 -4.514
484 HA VAL 63 HA VAL 63 6.611 4.411 -2.196
485 HB VAL 63 HB VAL 63 7.471 3.991 -5.100
486 HG11 VAL 63 HG11 VAL 63 9.146 4.267 -2.569
487 HG12 VAL 63 HG12 VAL 63 9.010 5.457 -3.864
488 HG13 VAL 63 HG13 VAL 63 9.779 3.900 -4.177
489 HG21 VAL 63 HG21 VAL 63 7.660 2.034 -2.768
490 HG22 VAL 63 HG22 VAL 63 8.379 1.795 -4.362
491 HG23 VAL 63 HG23 VAL 63 6.626 1.870 -4.192
492 H LEU 64 H LEU 64 6.368 6.493 -1.684
493 HA LEU 64 HA LEU 64 6.116 8.596 -3.740
494 HB2 LEU 64 HB2 LEU 64 4.694 8.262 -1.410
495 HB3 LEU 64 HB3 LEU 64 5.972 9.292 -0.814
496 HG LEU 64 HG LEU 64 4.092 10.691 -1.364
497 HD11 LEU 64 HD11 LEU 64 6.273 11.656 -1.955
498 HD12 LEU 64 HD12 LEU 64 4.974 12.270 -2.970
499 HD13 LEU 64 HD13 LEU 64 6.091 11.059 -3.606
500 HD21 LEU 64 HD21 LEU 64 4.060 9.460 -4.137
501 HD22 LEU 64 HD22 LEU 64 3.013 10.762 -3.561
502 HD23 LEU 64 HD23 LEU 64 2.892 9.157 -2.846
503 HA PRO 65 HA PRO 65 10.708 8.729 -3.142
504 HB2 PRO 65 HB2 PRO 65 11.083 10.791 -5.034
505 HB3 PRO 65 HB3 PRO 65 11.116 9.056 -5.377
506 HG2 PRO 65 HG2 PRO 65 8.845 11.018 -5.682
507 HG3 PRO 65 HG3 PRO 65 9.347 9.702 -6.769
508 HD2 PRO 65 HD2 PRO 65 7.228 9.393 -5.167
509 HD3 PRO 65 HD3 PRO 65 8.359 8.044 -5.417
510 H ALA 66 H ALA 66 9.539 12.075 -3.861
511 HA ALA 66 HA ALA 66 10.662 12.994 -1.284
512 HB1 ALA 66 HB1 ALA 66 10.435 15.272 -2.208
513 HB2 ALA 66 HB2 ALA 66 9.689 14.616 -3.669
514 HB3 ALA 66 HB3 ALA 66 11.370 14.239 -3.291
515 H THR 67 H THR 67 9.076 12.277 0.160
516 HA THR 67 HA THR 67 6.290 12.362 -0.342
517 HB THR 67 HB THR 67 7.582 12.133 2.412
518 HG1 THR 67 HG1 THR 67 8.431 10.413 1.436
519 HG21 THR 67 HG21 THR 67 4.901 11.128 1.349
520 HG22 THR 67 HG22 THR 67 5.118 12.467 2.476
521 HG23 THR 67 HG23 THR 67 5.542 10.829 2.968
522 H GLN 68 H GLN 68 5.290 14.205 -0.708
523 HA GLN 68 HA GLN 68 6.100 16.771 0.261
524 HB2 GLN 68 HB2 GLN 68 3.532 15.943 -1.161
525 HB3 GLN 68 HB3 GLN 68 4.164 17.588 -1.047
526 HG2 GLN 68 HG2 GLN 68 6.031 17.049 -2.470
527 HG3 GLN 68 HG3 GLN 68 5.671 15.326 -2.402
528 HE21 GLN 68 HE21 GLN 68 3.924 14.514 -3.603
529 HE22 GLN 68 HE22 GLN 68 3.215 15.405 -4.902
530 HA PRO 69 HA PRO 69 3.659 17.328 4.097
531 HB2 PRO 69 HB2 PRO 69 2.956 19.976 2.805
532 HB3 PRO 69 HB3 PRO 69 3.476 19.639 4.466
533 HG2 PRO 69 HG2 PRO 69 5.223 20.622 2.731
534 HG3 PRO 69 HG3 PRO 69 5.725 19.318 3.832
535 HD2 PRO 69 HD2 PRO 69 5.037 19.174 0.899
536 HD3 PRO 69 HD3 PRO 69 6.300 18.309 1.805
537 H SER 70 H SER 70 2.186 18.218 0.986
538 HA SER 70 HA SER 70 -0.552 17.958 1.667
539 HB2 SER 70 HB2 SER 70 0.078 19.129 -0.361
540 HB3 SER 70 HB3 SER 70 0.863 17.697 -1.018
541 HG SER 70 HG SER 70 -0.992 17.202 -1.845
542 H ASP 71 H ASP 71 1.848 15.491 0.845
543 HA ASP 71 HA ASP 71 -0.092 13.355 0.533
544 HB2 ASP 71 HB2 ASP 71 2.940 13.299 0.683
545 HB3 ASP 71 HB3 ASP 71 1.959 11.847 0.494
546 H GLY 72 H GLY 72 0.788 14.977 3.219
547 HA2 GLY 72 HA2 GLY 72 0.800 12.800 5.140
548 HA3 GLY 72 HA3 GLY 72 0.652 14.517 5.487
549 H GLY 73 H GLY 73 -0.957 11.784 5.912
550 HA2 GLY 73 HA2 GLY 73 -3.292 12.569 6.886
551 HA3 GLY 73 HA3 GLY 73 -3.657 12.667 5.168
552 H GLU 74 H GLU 74 -4.655 10.880 4.378
553 HA GLU 74 HA GLU 74 -4.067 8.232 5.579
554 HB2 GLU 74 HB2 GLU 74 -6.858 9.322 4.984
555 HB3 GLU 74 HB3 GLU 74 -6.500 7.674 5.506
556 HG2 GLU 74 HG2 GLU 74 -5.527 8.600 7.618
557 HG3 GLU 74 HG3 GLU 74 -6.024 10.211 7.107
558 H PHE 75 H PHE 75 -3.965 6.533 4.222
559 HA PHE 75 HA PHE 75 -4.689 6.832 1.357
560 HB2 PHE 75 HB2 PHE 75 -2.261 5.407 2.551
561 HB3 PHE 75 HB3 PHE 75 -2.758 5.260 0.869
562 HD1 PHE 75 HD2 PHE 75 -1.346 7.576 3.402
563 HD2 PHE 75 HD1 PHE 75 -2.306 7.019 -0.727
564 HE1 PHE 75 HE2 PHE 75 0.015 9.542 2.813
565 HE2 PHE 75 HE1 PHE 75 -0.942 8.982 -1.304
566 HZ PHE 75 HZ PHE 75 0.222 10.244 0.460
567 H GLN 76 H GLN 76 -5.794 5.116 0.443
568 HA GLN 76 HA GLN 76 -6.580 2.858 2.209
569 HB2 GLN 76 HB2 GLN 76 -8.117 4.118 -0.101
570 HB3 GLN 76 HB3 GLN 76 -8.664 2.734 0.842
571 HG2 GLN 76 HG2 GLN 76 -8.694 4.180 2.869
572 HG3 GLN 76 HG3 GLN 76 -8.234 5.555 1.867
573 HE21 GLN 76 HE21 GLN 76 -10.539 3.024 0.930
574 HE22 GLN 76 HE22 GLN 76 -11.918 4.055 0.899
575 H CYS 77 H CYS 77 -6.690 0.767 1.356
576 HA CYS 77 HA CYS 77 -5.926 0.312 -1.479
577 HB2 CYS 77 HB2 CYS 77 -5.160 -1.463 0.883
578 HB3 CYS 77 HB3 CYS 77 -4.746 -1.741 -0.809
579 HG CYS 77 HG CYS 77 -3.633 1.195 -0.153
580 H VAL 78 H VAL 78 -8.064 -0.052 -2.230
581 HA VAL 78 HA VAL 78 -9.841 -1.838 -0.700
582 HB VAL 78 HB VAL 78 -10.439 -0.190 -3.197
583 HG11 VAL 78 HG11 VAL 78 -11.935 -2.138 -3.046
584 HG12 VAL 78 HG12 VAL 78 -12.830 -0.654 -2.717
585 HG13 VAL 78 HG13 VAL 78 -12.356 -1.713 -1.386
586 HG21 VAL 78 HG21 VAL 78 -9.944 1.251 -1.259
587 HG22 VAL 78 HG22 VAL 78 -11.128 0.379 -0.280
588 HG23 VAL 78 HG23 VAL 78 -11.661 1.337 -1.664
589 H ALA 79 H ALA 79 -9.973 -3.956 -1.170
590 HA ALA 79 HA ALA 79 -8.977 -4.990 -3.774
591 HB1 ALA 79 HB1 ALA 79 -8.548 -7.102 -2.593
592 HB2 ALA 79 HB2 ALA 79 -9.190 -6.415 -1.098
593 HB3 ALA 79 HB3 ALA 79 -7.715 -5.757 -1.811
594 H GLY 80 H GLY 80 -11.218 -6.222 -1.283
595 HA2 GLY 80 HA2 GLY 80 -13.536 -6.219 -3.006
596 HA3 GLY 80 HA3 GLY 80 -12.855 -7.827 -2.776
597 H ASP 81 H ASP 81 -14.729 -5.303 -1.414
598 HA ASP 81 HA ASP 81 -15.938 -4.979 0.465
599 HB2 ASP 81 HB2 ASP 81 -15.612 -7.987 0.814
600 HB3 ASP 81 HB3 ASP 81 -16.716 -6.989 1.759
601 H GLU 82 H GLU 82 -12.903 -4.957 0.557
602 HA GLU 82 HA GLU 82 -12.626 -4.433 3.387
603 HB2 GLU 82 HB2 GLU 82 -12.176 -6.919 3.184
604 HB3 GLU 82 HB3 GLU 82 -10.796 -6.549 2.161
605 HG2 GLU 82 HG2 GLU 82 -9.715 -5.359 3.994
606 HG3 GLU 82 HG3 GLU 82 -11.129 -5.585 5.021
607 H CYS 83 H CYS 83 -10.953 -3.049 3.874
608 HA CYS 83 HA CYS 83 -9.092 -2.213 1.750
609 HB2 CYS 83 HB2 CYS 83 -10.916 -0.598 1.634
610 HB3 CYS 83 HB3 CYS 83 -10.839 -0.327 3.374
611 HG CYS 83 HG CYS 83 -8.339 0.890 3.318
612 H ALA 84 H ALA 84 -7.063 -1.689 2.417
613 HA ALA 84 HA ALA 84 -6.351 -1.848 5.276
614 HB1 ALA 84 HB1 ALA 84 -4.563 -1.724 2.814
615 HB2 ALA 84 HB2 ALA 84 -5.013 -3.189 3.688
616 HB3 ALA 84 HB3 ALA 84 -4.016 -1.964 4.477
617 H TYR 85 H TYR 85 -5.603 -0.063 6.422
618 HA TYR 85 HA TYR 85 -5.883 2.580 5.072
619 HB2 TYR 85 HB2 TYR 85 -6.416 1.986 8.012
620 HB3 TYR 85 HB3 TYR 85 -6.821 3.453 7.127
621 HD1 TYR 85 HD2 TYR 85 -8.545 3.168 5.136
622 HD2 TYR 85 HD1 TYR 85 -8.056 0.317 8.283
623 HE1 TYR 85 HE2 TYR 85 -10.772 2.238 4.647
624 HE2 TYR 85 HE1 TYR 85 -10.273 -0.613 7.785
625 HH TYR 85 HH TYR 85 -11.959 0.024 4.975
626 H PHE 86 H PHE 86 -4.144 3.915 5.137
627 HA PHE 86 HA PHE 86 -1.924 3.397 7.047
628 HB2 PHE 86 HB2 PHE 86 -1.714 4.374 4.159
629 HB3 PHE 86 HB3 PHE 86 -0.361 4.148 5.263
630 HD1 PHE 86 HD2 PHE 86 0.309 1.841 5.974
631 HD2 PHE 86 HD1 PHE 86 -2.702 2.475 2.996
632 HE1 PHE 86 HE2 PHE 86 0.510 -0.507 5.261
633 HE2 PHE 86 HE1 PHE 86 -2.494 0.120 2.303
634 HZ PHE 86 HZ PHE 86 -0.890 -1.366 3.429
635 H THR 87 H THR 87 -1.997 5.022 8.545
636 HA THR 87 HA THR 87 -2.664 7.776 7.763
637 HB THR 87 HB THR 87 -2.251 8.173 10.339
638 HG1 THR 87 HG1 THR 87 -1.309 6.118 10.735
639 HG21 THR 87 HG21 THR 87 -4.559 7.542 10.859
640 HG22 THR 87 HG22 THR 87 -4.624 6.539 9.408
641 HG23 THR 87 HG23 THR 87 -4.457 8.291 9.259
642 H VAL 88 H VAL 88 -1.064 8.738 6.786
643 HA VAL 88 HA VAL 88 1.734 8.486 7.617
644 HB VAL 88 HB VAL 88 0.363 9.671 5.177
645 HG11 VAL 88 HG11 VAL 88 2.617 10.050 4.188
646 HG12 VAL 88 HG12 VAL 88 3.362 9.606 5.727
647 HG13 VAL 88 HG13 VAL 88 2.351 11.049 5.618
648 HG21 VAL 88 HG21 VAL 88 0.418 7.210 5.236
649 HG22 VAL 88 HG22 VAL 88 2.168 7.227 5.467
650 HG23 VAL 88 HG23 VAL 88 1.470 7.815 3.955
651 H THR 89 H THR 89 2.691 10.012 8.854
652 HA THR 89 HA THR 89 1.601 12.782 8.959
653 HB THR 89 HB THR 89 2.977 11.252 11.217
654 HG1 THR 89 HG1 THR 89 0.947 11.253 12.164
655 HG21 THR 89 HG21 THR 89 1.795 14.065 11.232
656 HG22 THR 89 HG22 THR 89 3.515 13.672 11.332
657 HG23 THR 89 HG23 THR 89 2.424 13.205 12.638
658 H ILE 90 H ILE 90 2.958 14.245 8.122
659 HA ILE 90 HA ILE 90 5.609 13.554 7.225
660 HB ILE 90 HB ILE 90 4.290 16.307 7.170
661 HG12 ILE 90 HG12 ILE 90 2.812 14.645 6.079
662 HG13 ILE 90 HG13 ILE 90 3.478 15.763 4.899
663 HG21 ILE 90 HG21 ILE 90 6.551 15.177 5.466
664 HG22 ILE 90 HG22 ILE 90 6.694 16.419 6.712
665 HG23 ILE 90 HG23 ILE 90 5.787 16.753 5.238
666 HD11 ILE 90 HD11 ILE 90 5.085 14.044 4.198
667 HD12 ILE 90 HD12 ILE 90 3.413 13.512 4.034
668 HD13 ILE 90 HD13 ILE 90 4.391 12.928 5.379
Start of MODEL 8
1 H HIS 1 H1 HIS 1 -14.043 -19.540 -9.875
2 HA HIS 1 HA HIS 1 -13.017 -17.714 -8.652
3 HB2 HIS 1 HB2 HIS 1 -14.848 -17.224 -10.215
4 HB3 HIS 1 HB3 HIS 1 -16.050 -17.578 -8.977
5 HD1 HIS 1 HD1 HIS 1 -13.128 -15.147 -9.384
6 HD2 HIS 1 HD2 HIS 1 -16.978 -15.273 -7.813
7 HE1 HIS 1 HE1 HIS 1 -13.566 -12.848 -8.498
8 HE2 HIS 1 HE2 HIS 1 -15.868 -12.965 -7.496
9 H MET 2 H MET 2 -12.756 -16.542 -6.748
10 HA MET 2 HA MET 2 -14.488 -17.024 -4.443
11 HB2 MET 2 HB2 MET 2 -12.619 -17.616 -2.947
12 HB3 MET 2 HB3 MET 2 -12.763 -18.784 -4.250
13 HG2 MET 2 HG2 MET 2 -10.850 -17.745 -5.400
14 HG3 MET 2 HG3 MET 2 -10.706 -16.567 -4.087
15 HE1 MET 2 HE1 MET 2 -8.166 -18.315 -4.894
16 HE2 MET 2 HE2 MET 2 -7.603 -18.830 -3.304
17 HE3 MET 2 HE3 MET 2 -8.183 -17.182 -3.543
18 HA PRO 3 HA PRO 3 -13.991 -12.681 -3.800
19 HB2 PRO 3 HB2 PRO 3 -13.956 -13.123 -0.835
20 HB3 PRO 3 HB3 PRO 3 -15.105 -12.217 -1.826
21 HG2 PRO 3 HG2 PRO 3 -15.798 -14.572 -0.787
22 HG3 PRO 3 HG3 PRO 3 -16.295 -14.140 -2.439
23 HD2 PRO 3 HD2 PRO 3 -14.000 -15.905 -1.558
24 HD3 PRO 3 HD3 PRO 3 -15.229 -16.200 -2.810
25 H VAL 4 H VAL 4 -12.405 -11.129 -3.660
26 HA VAL 4 HA VAL 4 -9.699 -11.985 -3.039
27 HB VAL 4 HB VAL 4 -9.897 -10.724 -5.060
28 HG11 VAL 4 HG11 VAL 4 -11.972 -9.505 -4.653
29 HG12 VAL 4 HG12 VAL 4 -10.714 -8.382 -5.174
30 HG13 VAL 4 HG13 VAL 4 -11.171 -8.472 -3.470
31 HG21 VAL 4 HG21 VAL 4 -8.277 -8.879 -4.700
32 HG22 VAL 4 HG22 VAL 4 -7.827 -10.308 -3.769
33 HG23 VAL 4 HG23 VAL 4 -8.590 -8.937 -2.964
34 H HIS 5 H HIS 5 -8.956 -11.928 -1.069
35 HA HIS 5 HA HIS 5 -9.710 -9.812 0.860
36 HB2 HIS 5 HB2 HIS 5 -8.666 -12.647 1.312
37 HB3 HIS 5 HB3 HIS 5 -8.960 -11.475 2.595
38 HD1 HIS 5 HD1 HIS 5 -10.660 -14.018 0.561
39 HD2 HIS 5 HD2 HIS 5 -11.770 -10.750 2.881
40 HE1 HIS 5 HE1 HIS 5 -13.116 -14.293 0.978
41 HE2 HIS 5 HE2 HIS 5 -13.763 -12.330 2.405
42 H ILE 6 H ILE 6 -7.983 -9.194 2.429
43 HA ILE 6 HA ILE 6 -5.303 -8.959 1.152
44 HB ILE 6 HB ILE 6 -6.615 -7.169 3.259
45 HG12 ILE 6 HG12 ILE 6 -6.054 -6.670 0.297
46 HG13 ILE 6 HG13 ILE 6 -7.642 -6.867 1.031
47 HG21 ILE 6 HG21 ILE 6 -3.928 -6.827 1.864
48 HG22 ILE 6 HG22 ILE 6 -4.164 -7.257 3.559
49 HG23 ILE 6 HG23 ILE 6 -4.667 -5.671 2.978
50 HD11 ILE 6 HD11 ILE 6 -7.293 -4.767 2.279
51 HD12 ILE 6 HD12 ILE 6 -7.211 -4.552 0.531
52 HD13 ILE 6 HD13 ILE 6 -5.727 -4.575 1.482
53 H VAL 7 H VAL 7 -3.775 -10.266 2.048
54 HA VAL 7 HA VAL 7 -4.132 -11.477 4.669
55 HB VAL 7 HB VAL 7 -1.902 -12.599 4.224
56 HG11 VAL 7 HG11 VAL 7 -4.021 -12.972 2.074
57 HG12 VAL 7 HG12 VAL 7 -4.022 -13.720 3.672
58 HG13 VAL 7 HG13 VAL 7 -2.769 -14.142 2.504
59 HG21 VAL 7 HG21 VAL 7 -2.115 -11.275 1.485
60 HG22 VAL 7 HG22 VAL 7 -0.921 -12.491 1.956
61 HG23 VAL 7 HG23 VAL 7 -0.904 -10.899 2.717
62 H ASP 8 H ASP 8 -2.323 -8.756 3.395
63 HA ASP 8 HA ASP 8 -1.663 -7.874 6.076
64 HB2 ASP 8 HB2 ASP 8 0.234 -9.453 5.428
65 HB3 ASP 8 HB3 ASP 8 0.639 -8.345 4.120
66 HA PRO 9 HA PRO 9 -1.217 -6.082 7.107
67 HB2 PRO 9 HB2 PRO 9 -2.033 -3.640 7.873
68 HB3 PRO 9 HB3 PRO 9 -0.446 -3.866 7.120
69 HG2 PRO 9 HG2 PRO 9 -3.012 -2.888 5.874
70 HG3 PRO 9 HG3 PRO 9 -1.368 -2.235 5.700
71 HD2 PRO 9 HD2 PRO 9 -2.563 -3.957 3.866
72 HD3 PRO 9 HD3 PRO 9 -0.806 -3.775 4.058
73 H ARG 10 H ARG 10 -2.745 -6.102 8.848
74 HA ARG 10 HA ARG 10 -5.571 -6.555 8.077
75 HB2 ARG 10 HB2 ARG 10 -4.000 -7.376 10.564
76 HB3 ARG 10 HB3 ARG 10 -5.685 -7.786 10.257
77 HG2 ARG 10 HG2 ARG 10 -3.311 -8.715 8.599
78 HG3 ARG 10 HG3 ARG 10 -4.166 -9.674 9.813
79 HD2 ARG 10 HD2 ARG 10 -6.264 -9.412 8.441
80 HD3 ARG 10 HD3 ARG 10 -5.288 -8.628 7.190
81 HE ARG 10 HE ARG 10 -3.950 -10.812 7.259
82 HH11 ARG 10 HH11 ARG 10 -7.372 -10.709 7.803
83 HH12 ARG 10 HH12 ARG 10 -7.607 -12.312 7.217
84 HH21 ARG 10 HH21 ARG 10 -4.290 -12.851 6.507
85 HH22 ARG 10 HH22 ARG 10 -5.888 -13.501 6.483
86 H GLU 11 H GLU 11 -4.148 -3.865 8.759
87 HA GLU 11 HA GLU 11 -5.901 -2.874 10.891
88 HB2 GLU 11 HB2 GLU 11 -4.002 -2.126 12.297
89 HB3 GLU 11 HB3 GLU 11 -3.979 -3.879 12.098
90 HG2 GLU 11 HG2 GLU 11 -2.212 -3.703 10.414
91 HG3 GLU 11 HG3 GLU 11 -2.266 -1.945 10.495
92 H HIS 12 H HIS 12 -5.157 -0.580 11.494
93 HA HIS 12 HA HIS 12 -4.727 1.099 9.128
94 HB2 HIS 12 HB2 HIS 12 -5.341 2.963 10.860
95 HB3 HIS 12 HB3 HIS 12 -6.612 1.873 10.327
96 HD1 HIS 12 HD1 HIS 12 -7.515 0.143 12.056
97 HD2 HIS 12 HD2 HIS 12 -4.734 2.812 13.606
98 HE1 HIS 12 HE1 HIS 12 -7.654 -0.114 14.548
99 HE2 HIS 12 HE2 HIS 12 -5.855 1.391 15.453
100 H VAL 13 H VAL 13 -2.600 1.230 8.676
101 HA VAL 13 HA VAL 13 -0.539 1.139 10.739
102 HB VAL 13 HB VAL 13 -0.237 1.242 7.703
103 HG11 VAL 13 HG11 VAL 13 2.051 0.375 8.078
104 HG12 VAL 13 HG12 VAL 13 1.810 0.474 9.824
105 HG13 VAL 13 HG13 VAL 13 1.828 1.946 8.853
106 HG21 VAL 13 HG21 VAL 13 -1.506 -0.753 8.394
107 HG22 VAL 13 HG22 VAL 13 -0.234 -1.188 9.538
108 HG23 VAL 13 HG23 VAL 13 0.094 -1.205 7.803
109 H PHE 14 H PHE 14 -0.014 3.019 11.712
110 HA PHE 14 HA PHE 14 -0.070 5.607 10.393
111 HB2 PHE 14 HB2 PHE 14 0.799 4.744 13.184
112 HB3 PHE 14 HB3 PHE 14 0.864 6.412 12.625
113 HD1 PHE 14 HD1 PHE 14 -1.382 3.658 13.638
114 HD2 PHE 14 HD2 PHE 14 -1.181 7.720 12.304
115 HE1 PHE 14 HE1 PHE 14 -3.730 3.999 14.291
116 HE2 PHE 14 HE2 PHE 14 -3.526 8.048 12.964
117 HZ PHE 14 HZ PHE 14 -4.804 6.190 13.955
118 H VAL 15 H VAL 15 1.525 6.294 9.129
119 HA VAL 15 HA VAL 15 4.304 5.314 9.435
120 HB VAL 15 HB VAL 15 2.994 6.529 6.958
121 HG11 VAL 15 HG11 VAL 15 4.968 5.641 5.745
122 HG12 VAL 15 HG12 VAL 15 5.661 5.103 7.274
123 HG13 VAL 15 HG13 VAL 15 5.430 6.826 6.968
124 HG21 VAL 15 HG21 VAL 15 3.494 3.590 7.589
125 HG22 VAL 15 HG22 VAL 15 2.916 4.220 6.044
126 HG23 VAL 15 HG23 VAL 15 1.917 4.379 7.488
127 H HIS 16 H HIS 16 6.011 6.821 9.513
128 HA HIS 16 HA HIS 16 5.320 9.697 9.783
129 HB2 HIS 16 HB2 HIS 16 7.650 8.183 11.037
130 HB3 HIS 16 HB3 HIS 16 7.261 9.884 11.294
131 HD1 HIS 16 HD1 HIS 16 6.581 6.535 12.602
132 HD2 HIS 16 HD2 HIS 16 4.711 10.247 12.722
133 HE1 HIS 16 HE1 HIS 16 4.894 6.376 14.452
134 HE2 HIS 16 HE2 HIS 16 3.730 8.609 14.465
135 H ALA 17 H ALA 17 6.231 11.094 8.330
136 HA ALA 17 HA ALA 17 8.712 10.381 6.890
137 HB1 ALA 17 HB1 ALA 17 6.157 11.251 5.490
138 HB2 ALA 17 HB2 ALA 17 6.819 9.616 5.491
139 HB3 ALA 17 HB3 ALA 17 7.714 10.925 4.717
140 H ILE 18 H ILE 18 10.029 12.072 7.418
141 HA ILE 18 HA ILE 18 9.011 14.795 7.712
142 HB ILE 18 HB ILE 18 11.886 13.831 7.994
143 HG12 ILE 18 HG12 ILE 18 11.374 14.130 10.559
144 HG13 ILE 18 HG13 ILE 18 9.684 14.021 10.096
145 HG21 ILE 18 HG21 ILE 18 12.265 15.935 9.269
146 HG22 ILE 18 HG22 ILE 18 10.604 16.427 8.932
147 HG23 ILE 18 HG23 ILE 18 11.756 16.246 7.609
148 HD11 ILE 18 HD11 ILE 18 10.519 11.913 10.934
149 HD12 ILE 18 HD12 ILE 18 11.785 11.887 9.706
150 HD13 ILE 18 HD13 ILE 18 10.088 11.759 9.231
151 H THR 19 H THR 19 8.349 14.732 5.424
152 HA THR 19 HA THR 19 8.351 15.509 3.307
153 HB THR 19 HB THR 19 10.799 17.121 4.141
154 HG1 THR 19 HG1 THR 19 9.404 18.027 5.447
155 HG21 THR 19 HG21 THR 19 10.041 18.749 2.434
156 HG22 THR 19 HG22 THR 19 8.732 17.660 1.966
157 HG23 THR 19 HG23 THR 19 10.414 17.193 1.691
158 H SER 20 H SER 20 11.911 15.423 3.711
159 HA SER 20 HA SER 20 12.514 14.449 1.127
160 HB2 SER 20 HB2 SER 20 14.217 14.384 3.656
161 HB3 SER 20 HB3 SER 20 14.827 14.188 2.014
162 HG SER 20 HG SER 20 15.116 16.315 2.661
163 H GLU 21 H GLU 21 11.388 12.724 3.867
164 HA GLU 21 HA GLU 21 12.861 10.314 3.677
165 HB2 GLU 21 HB2 GLU 21 10.196 10.899 5.019
166 HB3 GLU 21 HB3 GLU 21 11.090 9.392 5.215
167 HG2 GLU 21 HG2 GLU 21 12.031 12.159 6.039
168 HG3 GLU 21 HG3 GLU 21 11.432 10.895 7.112
169 H CYS 22 H CYS 22 12.663 8.605 2.419
170 HA CYS 22 HA CYS 22 10.546 8.291 0.472
171 HB2 CYS 22 HB2 CYS 22 11.854 6.248 -0.202
172 HB3 CYS 22 HB3 CYS 22 12.798 7.732 -0.214
173 HG CYS 22 HG CYS 22 14.442 7.149 1.775
174 H VAL 23 H VAL 23 8.734 7.124 0.733
175 HA VAL 23 HA VAL 23 8.464 5.183 2.971
176 HB VAL 23 HB VAL 23 6.483 7.298 1.994
177 HG11 VAL 23 HG11 VAL 23 5.185 5.240 2.319
178 HG12 VAL 23 HG12 VAL 23 4.832 6.383 3.616
179 HG13 VAL 23 HG13 VAL 23 5.901 5.011 3.916
180 HG21 VAL 23 HG21 VAL 23 8.146 8.082 3.637
181 HG22 VAL 23 HG22 VAL 23 7.683 6.784 4.742
182 HG23 VAL 23 HG23 VAL 23 6.528 8.059 4.346
183 H MET 24 H MET 24 7.590 3.202 2.456
184 HA MET 24 HA MET 24 6.232 2.849 -0.156
185 HB2 MET 24 HB2 MET 24 8.577 1.922 -0.180
186 HB3 MET 24 HB3 MET 24 8.124 0.824 1.115
187 HG2 MET 24 HG2 MET 24 6.475 -0.251 -0.347
188 HG3 MET 24 HG3 MET 24 6.860 0.883 -1.641
189 HE1 MET 24 HE1 MET 24 10.595 -0.176 -2.471
190 HE2 MET 24 HE2 MET 24 10.132 1.037 -1.278
191 HE3 MET 24 HE3 MET 24 9.300 0.967 -2.832
192 H LEU 25 H LEU 25 4.168 2.679 0.448
193 HA LEU 25 HA LEU 25 3.213 1.377 2.845
194 HB2 LEU 25 HB2 LEU 25 1.634 2.333 0.419
195 HB3 LEU 25 HB3 LEU 25 0.995 2.019 2.030
196 HG LEU 25 HG LEU 25 2.956 4.252 1.344
197 HD11 LEU 25 HD11 LEU 25 0.783 4.637 0.285
198 HD12 LEU 25 HD12 LEU 25 1.073 5.787 1.587
199 HD13 LEU 25 HD13 LEU 25 -0.030 4.432 1.841
200 HD21 LEU 25 HD21 LEU 25 1.425 3.742 3.921
201 HD22 LEU 25 HD22 LEU 25 2.459 5.132 3.582
202 HD23 LEU 25 HD23 LEU 25 3.161 3.521 3.684
203 H ALA 26 H ALA 26 3.400 -0.861 2.864
204 HA ALA 26 HA ALA 26 3.110 -2.437 0.416
205 HB1 ALA 26 HB1 ALA 26 3.922 -4.318 1.773
206 HB2 ALA 26 HB2 ALA 26 3.826 -3.328 3.232
207 HB3 ALA 26 HB3 ALA 26 4.975 -2.913 1.959
208 H CYS 27 H CYS 27 1.206 -3.326 -0.178
209 HA CYS 27 HA CYS 27 -0.559 -4.566 1.852
210 HB2 CYS 27 HB2 CYS 27 -1.473 -3.143 -0.690
211 HB3 CYS 27 HB3 CYS 27 -2.526 -4.040 0.406
212 HG CYS 27 HG CYS 27 -0.959 -1.898 2.243
213 H GLU 28 H GLU 28 -0.252 -6.719 1.565
214 HA GLU 28 HA GLU 28 0.038 -7.873 -1.130
215 HB2 GLU 28 HB2 GLU 28 0.660 -8.993 1.637
216 HB3 GLU 28 HB3 GLU 28 0.810 -9.927 0.148
217 HG2 GLU 28 HG2 GLU 28 2.604 -8.610 -0.644
218 HG3 GLU 28 HG3 GLU 28 2.261 -7.297 0.475
219 H VAL 29 H VAL 29 -1.526 -9.027 -2.021
220 HA VAL 29 HA VAL 29 -4.064 -9.435 -0.587
221 HB VAL 29 HB VAL 29 -5.022 -9.836 -2.887
222 HG11 VAL 29 HG11 VAL 29 -3.540 -7.191 -2.574
223 HG12 VAL 29 HG12 VAL 29 -5.119 -7.583 -1.888
224 HG13 VAL 29 HG13 VAL 29 -4.920 -7.482 -3.637
225 HG21 VAL 29 HG21 VAL 29 -3.676 -9.273 -4.896
226 HG22 VAL 29 HG22 VAL 29 -2.999 -10.660 -4.042
227 HG23 VAL 29 HG23 VAL 29 -2.240 -9.074 -3.884
228 H ASP 30 H ASP 30 -5.077 -11.405 -0.409
229 HA ASP 30 HA ASP 30 -3.635 -13.853 -0.453
230 HB2 ASP 30 HB2 ASP 30 -5.589 -13.383 1.034
231 HB3 ASP 30 HB3 ASP 30 -6.644 -13.345 -0.367
232 H ARG 31 H ARG 31 -6.130 -12.495 -2.611
233 HA ARG 31 HA ARG 31 -5.855 -14.605 -4.623
234 HB2 ARG 31 HB2 ARG 31 -8.064 -13.370 -3.856
235 HB3 ARG 31 HB3 ARG 31 -7.527 -12.065 -4.890
236 HG2 ARG 31 HG2 ARG 31 -8.190 -14.899 -5.782
237 HG3 ARG 31 HG3 ARG 31 -9.224 -13.483 -5.966
238 HD2 ARG 31 HD2 ARG 31 -7.276 -12.495 -7.363
239 HD3 ARG 31 HD3 ARG 31 -6.646 -14.143 -7.412
240 HE ARG 31 HE ARG 31 -9.204 -13.223 -8.558
241 HH11 ARG 31 HH11 ARG 31 -6.761 -15.680 -8.450
242 HH12 ARG 31 HH12 ARG 31 -7.334 -16.426 -9.897
243 HH21 ARG 31 HH21 ARG 31 -9.903 -14.207 -10.378
244 HH22 ARG 31 HH22 ARG 31 -9.080 -15.614 -10.961
245 H GLU 32 H GLU 32 -3.822 -14.360 -5.521
246 HA GLU 32 HA GLU 32 -2.265 -12.126 -5.936
247 HB2 GLU 32 HB2 GLU 32 -1.371 -14.373 -6.178
248 HB3 GLU 32 HB3 GLU 32 -2.416 -14.694 -7.555
249 HG2 GLU 32 HG2 GLU 32 -1.163 -12.947 -8.855
250 HG3 GLU 32 HG3 GLU 32 -0.071 -12.765 -7.480
251 H ASP 33 H ASP 33 -4.449 -13.590 -8.355
252 HA ASP 33 HA ASP 33 -3.709 -11.916 -10.527
253 HB2 ASP 33 HB2 ASP 33 -6.243 -13.569 -10.226
254 HB3 ASP 33 HB3 ASP 33 -5.522 -13.019 -11.738
255 H ALA 34 H ALA 34 -5.725 -11.154 -7.882
256 HA ALA 34 HA ALA 34 -7.318 -9.164 -9.364
257 HB1 ALA 34 HB1 ALA 34 -7.465 -10.029 -6.458
258 HB2 ALA 34 HB2 ALA 34 -8.516 -10.582 -7.762
259 HB3 ALA 34 HB3 ALA 34 -8.563 -8.894 -7.254
260 HA PRO 35 HA PRO 35 -4.299 -6.038 -8.019
261 HB2 PRO 35 HB2 PRO 35 -5.304 -3.891 -9.283
262 HB3 PRO 35 HB3 PRO 35 -4.678 -5.266 -10.207
263 HG2 PRO 35 HG2 PRO 35 -7.545 -4.592 -9.522
264 HG3 PRO 35 HG3 PRO 35 -6.858 -5.074 -11.087
265 HD2 PRO 35 HD2 PRO 35 -8.110 -6.841 -9.366
266 HD3 PRO 35 HD3 PRO 35 -6.871 -7.326 -10.543
267 H VAL 36 H VAL 36 -4.382 -3.698 -7.093
268 HA VAL 36 HA VAL 36 -6.541 -3.423 -5.068
269 HB VAL 36 HB VAL 36 -4.926 -2.052 -3.718
270 HG11 VAL 36 HG11 VAL 36 -5.280 -4.416 -3.155
271 HG12 VAL 36 HG12 VAL 36 -3.613 -3.939 -2.832
272 HG13 VAL 36 HG13 VAL 36 -3.994 -4.894 -4.268
273 HG21 VAL 36 HG21 VAL 36 -2.837 -3.012 -5.718
274 HG22 VAL 36 HG22 VAL 36 -2.507 -2.127 -4.226
275 HG23 VAL 36 HG23 VAL 36 -3.399 -1.348 -5.532
276 H ARG 37 H ARG 37 -6.858 -1.164 -4.325
277 HA ARG 37 HA ARG 37 -6.796 0.876 -6.478
278 HB2 ARG 37 HB2 ARG 37 -9.165 0.146 -4.685
279 HB3 ARG 37 HB3 ARG 37 -9.132 1.518 -5.789
280 HG2 ARG 37 HG2 ARG 37 -8.852 -1.360 -6.715
281 HG3 ARG 37 HG3 ARG 37 -10.407 -0.533 -6.577
282 HD2 ARG 37 HD2 ARG 37 -8.086 0.301 -8.360
283 HD3 ARG 37 HD3 ARG 37 -9.591 -0.457 -8.891
284 HE ARG 37 HE ARG 37 -9.205 2.306 -8.032
285 HH11 ARG 37 HH11 ARG 37 -11.557 -0.108 -8.840
286 HH12 ARG 37 HH12 ARG 37 -12.762 1.058 -9.233
287 HH21 ARG 37 HH21 ARG 37 -10.748 3.762 -8.580
288 HH22 ARG 37 HH22 ARG 37 -12.313 3.224 -9.087
289 H TRP 38 H TRP 38 -5.373 2.335 -5.563
290 HA TRP 38 HA TRP 38 -5.371 2.902 -2.692
291 HB2 TRP 38 HB2 TRP 38 -3.676 4.080 -4.948
292 HB3 TRP 38 HB3 TRP 38 -3.426 4.379 -3.231
293 HD1 TRP 38 HD1 TRP 38 -2.827 1.733 -5.930
294 HE1 TRP 38 HE1 TRP 38 -1.270 -0.078 -4.989
295 HE3 TRP 38 HE3 TRP 38 -2.741 3.198 -1.028
296 HZ2 TRP 38 HZ2 TRP 38 -0.164 -0.816 -2.500
297 HZ3 TRP 38 HZ3 TRP 38 -1.406 1.888 0.573
298 HH2 TRP 38 HH2 TRP 38 -0.140 -0.079 -0.149
299 H TYR 39 H TYR 39 -6.052 4.856 -1.763
300 HA TYR 39 HA TYR 39 -7.408 6.860 -3.472
301 HB2 TYR 39 HB2 TYR 39 -8.592 5.554 -0.979
302 HB3 TYR 39 HB3 TYR 39 -9.267 6.985 -1.754
303 HD1 TYR 39 HD2 TYR 39 -10.324 6.810 -4.018
304 HD2 TYR 39 HD1 TYR 39 -8.987 3.333 -1.918
305 HE1 TYR 39 HE2 TYR 39 -11.664 5.387 -5.516
306 HE2 TYR 39 HE1 TYR 39 -10.324 1.924 -3.418
307 HH TYR 39 HH TYR 39 -12.227 2.061 -4.880
308 H LYS 40 H LYS 40 -7.677 8.955 -2.540
309 HA LYS 40 HA LYS 40 -6.644 9.728 -0.011
310 HB2 LYS 40 HB2 LYS 40 -4.466 9.266 -1.026
311 HB3 LYS 40 HB3 LYS 40 -4.861 10.251 -2.429
312 HG2 LYS 40 HG2 LYS 40 -4.845 12.273 -1.062
313 HG3 LYS 40 HG3 LYS 40 -4.548 11.318 0.399
314 HD2 LYS 40 HD2 LYS 40 -2.362 10.599 -0.502
315 HD3 LYS 40 HD3 LYS 40 -2.670 11.488 -1.999
316 HE2 LYS 40 HE2 LYS 40 -2.438 12.746 0.754
317 HE3 LYS 40 HE3 LYS 40 -1.157 12.705 -0.458
318 HZ1 LYS 40 HZ1 LYS 40 -2.371 14.801 -0.455
319 HZ2 LYS 40 HZ2 LYS 40 -3.804 13.994 -0.841
320 HZ3 LYS 40 HZ3 LYS 40 -2.510 13.998 -1.933
321 H ASP 41 H ASP 41 -7.900 11.389 0.494
322 HA ASP 41 HA ASP 41 -9.053 13.326 0.538
323 HB2 ASP 41 HB2 ASP 41 -6.630 14.075 0.201
324 HB3 ASP 41 HB3 ASP 41 -7.019 14.327 -1.493
325 H GLY 42 H GLY 42 -10.690 11.890 -0.700
326 HA2 GLY 42 HA2 GLY 42 -12.624 12.074 -1.962
327 HA3 GLY 42 HA3 GLY 42 -12.008 13.552 -2.669
328 H GLN 43 H GLN 43 -9.505 12.046 -3.565
329 HA GLN 43 HA GLN 43 -10.629 10.874 -6.050
330 HB2 GLN 43 HB2 GLN 43 -7.843 12.022 -5.564
331 HB3 GLN 43 HB3 GLN 43 -8.495 11.472 -7.107
332 HG2 GLN 43 HG2 GLN 43 -10.199 13.320 -6.959
333 HG3 GLN 43 HG3 GLN 43 -9.376 13.896 -5.509
334 HE21 GLN 43 HE21 GLN 43 -8.804 15.875 -6.415
335 HE22 GLN 43 HE22 GLN 43 -7.637 16.025 -7.678
336 H GLU 44 H GLU 44 -8.857 9.292 -7.081
337 HA GLU 44 HA GLU 44 -7.728 7.548 -4.969
338 HB2 GLU 44 HB2 GLU 44 -7.822 5.693 -6.486
339 HB3 GLU 44 HB3 GLU 44 -9.398 6.465 -6.474
340 HG2 GLU 44 HG2 GLU 44 -8.857 7.537 -8.652
341 HG3 GLU 44 HG3 GLU 44 -7.307 6.694 -8.662
342 H VAL 45 H VAL 45 -5.595 6.733 -5.254
343 HA VAL 45 HA VAL 45 -3.786 8.764 -6.199
344 HB VAL 45 HB VAL 45 -3.076 6.064 -4.976
345 HG11 VAL 45 HG11 VAL 45 -1.173 7.072 -6.158
346 HG12 VAL 45 HG12 VAL 45 -0.904 7.111 -4.418
347 HG13 VAL 45 HG13 VAL 45 -1.387 8.581 -5.264
348 HG21 VAL 45 HG21 VAL 45 -4.499 7.328 -3.419
349 HG22 VAL 45 HG22 VAL 45 -3.434 8.731 -3.553
350 HG23 VAL 45 HG23 VAL 45 -2.841 7.239 -2.817
351 H GLU 46 H GLU 46 -3.173 8.856 -8.250
352 HA GLU 46 HA GLU 46 -2.427 6.401 -9.747
353 HB2 GLU 46 HB2 GLU 46 -3.160 9.180 -10.788
354 HB3 GLU 46 HB3 GLU 46 -2.638 7.830 -11.798
355 HG2 GLU 46 HG2 GLU 46 -4.647 6.554 -11.157
356 HG3 GLU 46 HG3 GLU 46 -5.164 7.867 -10.100
357 H GLU 47 H GLU 47 -0.513 6.863 -11.303
358 HA GLU 47 HA GLU 47 1.718 7.787 -9.761
359 HB2 GLU 47 HB2 GLU 47 1.634 7.034 -12.706
360 HB3 GLU 47 HB3 GLU 47 3.088 7.214 -11.720
361 HG2 GLU 47 HG2 GLU 47 2.169 5.358 -10.232
362 HG3 GLU 47 HG3 GLU 47 0.927 5.101 -11.457
363 H SER 48 H SER 48 2.561 9.775 -9.624
364 HA SER 48 HA SER 48 2.111 11.870 -11.640
365 HB2 SER 48 HB2 SER 48 1.117 12.085 -8.757
366 HB3 SER 48 HB3 SER 48 1.158 13.425 -9.904
367 HG SER 48 HG SER 48 -0.122 11.537 -11.166
368 H ASP 49 H ASP 49 2.918 14.045 -9.843
369 HA ASP 49 HA ASP 49 5.682 14.077 -10.031
370 HB2 ASP 49 HB2 ASP 49 3.889 15.609 -8.102
371 HB3 ASP 49 HB3 ASP 49 5.570 16.016 -8.444
372 H PHE 50 H PHE 50 6.882 12.464 -9.186
373 HA PHE 50 HA PHE 50 8.094 11.199 -7.770
374 HB2 PHE 50 HB2 PHE 50 7.158 13.158 -5.620
375 HB3 PHE 50 HB3 PHE 50 8.430 11.962 -5.400
376 HD1 PHE 50 HD1 PHE 50 10.629 12.225 -6.531
377 HD2 PHE 50 HD2 PHE 50 7.570 15.191 -6.928
378 HE1 PHE 50 HE1 PHE 50 12.277 13.820 -7.430
379 HE2 PHE 50 HE2 PHE 50 9.223 16.776 -7.823
380 HZ PHE 50 HZ PHE 50 11.577 16.092 -8.079
381 H VAL 51 H VAL 51 5.015 10.871 -8.056
382 HA VAL 51 HA VAL 51 4.601 8.866 -5.905
383 HB VAL 51 HB VAL 51 2.495 10.133 -7.736
384 HG11 VAL 51 HG11 VAL 51 1.845 7.893 -6.939
385 HG12 VAL 51 HG12 VAL 51 0.841 9.131 -6.189
386 HG13 VAL 51 HG13 VAL 51 2.146 8.379 -5.268
387 HG21 VAL 51 HG21 VAL 51 3.416 11.845 -6.235
388 HG22 VAL 51 HG22 VAL 51 3.116 10.813 -4.837
389 HG23 VAL 51 HG23 VAL 51 1.758 11.447 -5.771
390 H VAL 52 H VAL 52 4.907 6.787 -6.562
391 HA VAL 52 HA VAL 52 4.036 5.943 -9.263
392 HB VAL 52 HB VAL 52 6.022 4.390 -9.438
393 HG11 VAL 52 HG11 VAL 52 6.724 7.351 -9.371
394 HG12 VAL 52 HG12 VAL 52 5.985 6.488 -10.722
395 HG13 VAL 52 HG13 VAL 52 7.632 6.097 -10.223
396 HG21 VAL 52 HG21 VAL 52 8.055 4.845 -8.077
397 HG22 VAL 52 HG22 VAL 52 6.707 4.313 -7.073
398 HG23 VAL 52 HG23 VAL 52 7.146 6.020 -7.119
399 H LEU 53 H LEU 53 3.172 3.890 -9.383
400 HA LEU 53 HA LEU 53 2.695 2.447 -6.829
401 HB2 LEU 53 HB2 LEU 53 1.034 2.421 -9.384
402 HB3 LEU 53 HB3 LEU 53 0.653 1.539 -7.913
403 HG LEU 53 HG LEU 53 0.673 4.578 -8.206
404 HD11 LEU 53 HD11 LEU 53 -1.761 4.444 -7.916
405 HD12 LEU 53 HD12 LEU 53 -1.678 2.679 -7.885
406 HD13 LEU 53 HD13 LEU 53 -1.239 3.562 -9.350
407 HD21 LEU 53 HD21 LEU 53 -0.072 2.895 -5.788
408 HD22 LEU 53 HD22 LEU 53 -0.247 4.648 -5.924
409 HD23 LEU 53 HD23 LEU 53 1.356 3.920 -5.945
410 H GLU 54 H GLU 54 4.448 1.062 -6.837
411 HA GLU 54 HA GLU 54 5.028 -0.598 -9.212
412 HB2 GLU 54 HB2 GLU 54 6.662 -0.143 -6.676
413 HB3 GLU 54 HB3 GLU 54 7.144 -1.183 -8.013
414 HG2 GLU 54 HG2 GLU 54 7.149 0.827 -9.513
415 HG3 GLU 54 HG3 GLU 54 6.787 1.834 -8.111
416 H ASN 55 H ASN 55 4.079 -2.547 -9.274
417 HA ASN 55 HA ASN 55 3.456 -4.044 -6.792
418 HB2 ASN 55 HB2 ASN 55 1.440 -3.650 -9.068
419 HB3 ASN 55 HB3 ASN 55 1.163 -4.451 -7.523
420 HD21 ASN 55 HD21 ASN 55 1.635 -1.357 -9.092
421 HD22 ASN 55 HD22 ASN 55 0.943 -0.401 -7.831
422 H GLU 56 H GLU 56 4.134 -6.153 -7.012
423 HA GLU 56 HA GLU 56 3.983 -7.467 -9.632
424 HB2 GLU 56 HB2 GLU 56 6.377 -8.488 -9.041
425 HB3 GLU 56 HB3 GLU 56 6.213 -6.981 -9.912
426 HG2 GLU 56 HG2 GLU 56 7.964 -6.703 -8.315
427 HG3 GLU 56 HG3 GLU 56 6.594 -5.733 -7.790
428 H GLY 57 H GLY 57 3.361 -9.555 -9.590
429 HA2 GLY 57 HA2 GLY 57 2.438 -11.508 -8.802
430 HA3 GLY 57 HA3 GLY 57 3.526 -11.372 -7.431
431 HA PRO 58 HA PRO 58 -0.521 -10.583 -5.318
432 HB2 PRO 58 HB2 PRO 58 0.768 -11.767 -2.945
433 HB3 PRO 58 HB3 PRO 58 -0.670 -12.307 -3.813
434 HG2 PRO 58 HG2 PRO 58 1.686 -13.691 -3.848
435 HG3 PRO 58 HG3 PRO 58 0.525 -13.722 -5.192
436 HD2 PRO 58 HD2 PRO 58 3.070 -12.118 -4.923
437 HD3 PRO 58 HD3 PRO 58 2.439 -13.005 -6.331
438 H HIS 59 H HIS 59 2.752 -9.635 -4.857
439 HA HIS 59 HA HIS 59 2.363 -8.020 -2.464
440 HB2 HIS 59 HB2 HIS 59 4.792 -8.184 -4.306
441 HB3 HIS 59 HB3 HIS 59 4.749 -7.456 -2.704
442 HD1 HIS 59 HD1 HIS 59 5.371 -8.963 -0.804
443 HD2 HIS 59 HD2 HIS 59 4.451 -11.094 -4.243
444 HE1 HIS 59 HE1 HIS 59 5.950 -11.338 -0.289
445 HE2 HIS 59 HE2 HIS 59 5.231 -12.628 -2.320
446 H ARG 60 H ARG 60 1.023 -6.313 -2.879
447 HA ARG 60 HA ARG 60 1.566 -4.458 -5.127
448 HB2 ARG 60 HB2 ARG 60 -0.733 -4.334 -3.117
449 HB3 ARG 60 HB3 ARG 60 -0.631 -3.531 -4.681
450 HG2 ARG 60 HG2 ARG 60 -0.883 -6.535 -4.271
451 HG3 ARG 60 HG3 ARG 60 -2.220 -5.444 -4.630
452 HD2 ARG 60 HD2 ARG 60 -1.104 -4.847 -6.783
453 HD3 ARG 60 HD3 ARG 60 0.150 -6.044 -6.430
454 HE ARG 60 HE ARG 60 -2.289 -7.368 -6.261
455 HH11 ARG 60 HH11 ARG 60 -0.479 -5.763 -8.743
456 HH12 ARG 60 HH12 ARG 60 -1.178 -6.713 -9.999
457 HH21 ARG 60 HH21 ARG 60 -3.160 -8.564 -7.898
458 HH22 ARG 60 HH22 ARG 60 -2.652 -8.289 -9.528
459 H ARG 61 H ARG 61 2.262 -2.281 -4.667
460 HA ARG 61 HA ARG 61 2.072 -1.197 -2.020
461 HB2 ARG 61 HB2 ARG 61 4.593 -0.797 -1.729
462 HB3 ARG 61 HB3 ARG 61 3.969 -2.410 -1.414
463 HG2 ARG 61 HG2 ARG 61 4.703 -2.866 -3.922
464 HG3 ARG 61 HG3 ARG 61 5.744 -1.463 -3.654
465 HD2 ARG 61 HD2 ARG 61 6.904 -3.608 -3.170
466 HD3 ARG 61 HD3 ARG 61 6.799 -2.575 -1.740
467 HE ARG 61 HE ARG 61 4.596 -4.184 -1.570
468 HH11 ARG 61 HH11 ARG 61 7.966 -4.903 -1.883
469 HH12 ARG 61 HH12 ARG 61 7.849 -6.335 -0.927
470 HH21 ARG 61 HH21 ARG 61 4.483 -6.014 -0.350
471 HH22 ARG 61 HH22 ARG 61 5.904 -6.950 -0.061
472 H LEU 62 H LEU 62 2.246 0.922 -1.831
473 HA LEU 62 HA LEU 62 2.543 2.618 -4.205
474 HB2 LEU 62 HB2 LEU 62 0.572 2.794 -2.660
475 HB3 LEU 62 HB3 LEU 62 1.641 3.285 -1.364
476 HG LEU 62 HG LEU 62 1.452 4.949 -3.905
477 HD11 LEU 62 HD11 LEU 62 -0.432 5.150 -1.532
478 HD12 LEU 62 HD12 LEU 62 -0.858 4.639 -3.167
479 HD13 LEU 62 HD13 LEU 62 -0.336 6.295 -2.873
480 HD21 LEU 62 HD21 LEU 62 2.033 6.825 -2.405
481 HD22 LEU 62 HD22 LEU 62 3.255 5.559 -2.342
482 HD23 LEU 62 HD23 LEU 62 2.088 5.719 -1.029
483 H VAL 63 H VAL 63 4.472 3.591 -4.590
484 HA VAL 63 HA VAL 63 6.472 3.787 -2.407
485 HB VAL 63 HB VAL 63 7.030 3.767 -5.405
486 HG11 VAL 63 HG11 VAL 63 9.362 3.274 -4.762
487 HG12 VAL 63 HG12 VAL 63 8.920 3.359 -3.054
488 HG13 VAL 63 HG13 VAL 63 8.825 4.805 -4.063
489 HG21 VAL 63 HG21 VAL 63 7.180 1.412 -3.481
490 HG22 VAL 63 HG22 VAL 63 7.699 1.401 -5.168
491 HG23 VAL 63 HG23 VAL 63 5.994 1.621 -4.776
492 H LEU 64 H LEU 64 7.310 5.729 -1.878
493 HA LEU 64 HA LEU 64 6.822 8.123 -3.521
494 HB2 LEU 64 HB2 LEU 64 5.400 7.551 -1.126
495 HB3 LEU 64 HB3 LEU 64 6.620 8.696 -0.625
496 HG LEU 64 HG LEU 64 4.665 9.961 -1.112
497 HD11 LEU 64 HD11 LEU 64 6.693 11.025 -1.913
498 HD12 LEU 64 HD12 LEU 64 5.328 11.449 -2.941
499 HD13 LEU 64 HD13 LEU 64 6.515 10.258 -3.493
500 HD21 LEU 64 HD21 LEU 64 4.467 8.554 -3.792
501 HD22 LEU 64 HD22 LEU 64 3.413 9.853 -3.223
502 HD23 LEU 64 HD23 LEU 64 3.421 8.302 -2.391
503 HA PRO 65 HA PRO 65 11.408 7.763 -2.630
504 HB2 PRO 65 HB2 PRO 65 12.023 9.724 -4.562
505 HB3 PRO 65 HB3 PRO 65 11.915 7.987 -4.860
506 HG2 PRO 65 HG2 PRO 65 9.794 10.102 -5.250
507 HG3 PRO 65 HG3 PRO 65 10.285 8.797 -6.355
508 HD2 PRO 65 HD2 PRO 65 8.098 8.486 -4.910
509 HD3 PRO 65 HD3 PRO 65 9.231 7.123 -5.032
510 H ALA 66 H ALA 66 9.489 10.756 -2.858
511 HA ALA 66 HA ALA 66 10.771 11.765 -0.403
512 HB1 ALA 66 HB1 ALA 66 11.005 14.036 -1.319
513 HB2 ALA 66 HB2 ALA 66 10.420 13.486 -2.893
514 HB3 ALA 66 HB3 ALA 66 11.958 12.892 -2.264
515 H THR 67 H THR 67 8.959 11.532 0.860
516 HA THR 67 HA THR 67 6.295 11.875 -0.183
517 HB THR 67 HB THR 67 7.046 11.471 2.744
518 HG1 THR 67 HG1 THR 67 7.937 9.736 1.740
519 HG21 THR 67 HG21 THR 67 4.512 10.764 1.192
520 HG22 THR 67 HG22 THR 67 4.664 12.077 2.360
521 HG23 THR 67 HG23 THR 67 4.809 10.404 2.896
522 H GLN 68 H GLN 68 6.047 13.970 -0.807
523 HA GLN 68 HA GLN 68 6.666 16.334 0.596
524 HB2 GLN 68 HB2 GLN 68 6.293 16.333 -1.805
525 HB3 GLN 68 HB3 GLN 68 4.659 15.719 -1.613
526 HG2 GLN 68 HG2 GLN 68 3.874 17.825 -0.767
527 HG3 GLN 68 HG3 GLN 68 5.516 18.444 -0.616
528 HE21 GLN 68 HE21 GLN 68 2.945 17.686 -2.877
529 HE22 GLN 68 HE22 GLN 68 3.593 18.583 -4.202
530 HA PRO 69 HA PRO 69 3.530 16.886 3.885
531 HB2 PRO 69 HB2 PRO 69 3.239 19.598 2.568
532 HB3 PRO 69 HB3 PRO 69 3.338 19.194 4.290
533 HG2 PRO 69 HG2 PRO 69 5.464 20.129 2.942
534 HG3 PRO 69 HG3 PRO 69 5.645 18.911 4.223
535 HD2 PRO 69 HD2 PRO 69 5.926 18.607 1.276
536 HD3 PRO 69 HD3 PRO 69 6.621 17.624 2.579
537 H SER 70 H SER 70 2.664 18.253 0.692
538 HA SER 70 HA SER 70 -0.156 17.938 0.953
539 HB2 SER 70 HB2 SER 70 1.643 18.380 -1.455
540 HB3 SER 70 HB3 SER 70 -0.121 18.340 -1.579
541 HG SER 70 HG SER 70 1.445 20.369 -0.876
542 H ASP 71 H ASP 71 2.369 15.758 -0.234
543 HA ASP 71 HA ASP 71 0.425 13.777 -1.201
544 HB2 ASP 71 HB2 ASP 71 3.470 13.834 -1.245
545 HB3 ASP 71 HB3 ASP 71 2.505 12.498 -1.878
546 H GLY 72 H GLY 72 1.389 14.540 1.802
547 HA2 GLY 72 HA2 GLY 72 1.312 11.744 2.802
548 HA3 GLY 72 HA3 GLY 72 1.760 13.164 3.736
549 H GLY 73 H GLY 73 0.186 12.069 5.243
550 HA2 GLY 73 HA2 GLY 73 -1.687 12.923 6.453
551 HA3 GLY 73 HA3 GLY 73 -2.465 13.349 4.942
552 H GLU 74 H GLU 74 -3.214 11.486 3.558
553 HA GLU 74 HA GLU 74 -4.122 9.171 5.177
554 HB2 GLU 74 HB2 GLU 74 -6.429 9.464 4.245
555 HB3 GLU 74 HB3 GLU 74 -5.933 10.788 5.291
556 HG2 GLU 74 HG2 GLU 74 -5.582 12.262 3.416
557 HG3 GLU 74 HG3 GLU 74 -5.757 10.941 2.262
558 H PHE 75 H PHE 75 -4.209 7.244 4.122
559 HA PHE 75 HA PHE 75 -4.514 7.085 1.207
560 HB2 PHE 75 HB2 PHE 75 -2.258 5.703 2.731
561 HB3 PHE 75 HB3 PHE 75 -2.744 5.253 1.102
562 HD1 PHE 75 HD1 PHE 75 -2.417 6.872 -0.787
563 HD2 PHE 75 HD2 PHE 75 -0.832 7.631 3.111
564 HE1 PHE 75 HE1 PHE 75 -0.883 8.545 -1.731
565 HE2 PHE 75 HE2 PHE 75 0.697 9.307 2.157
566 HZ PHE 75 HZ PHE 75 0.672 9.761 -0.265
567 H GLN 76 H GLN 76 -5.658 5.263 0.523
568 HA GLN 76 HA GLN 76 -6.559 3.258 2.499
569 HB2 GLN 76 HB2 GLN 76 -8.090 5.312 2.471
570 HB3 GLN 76 HB3 GLN 76 -8.505 4.908 0.815
571 HG2 GLN 76 HG2 GLN 76 -8.970 2.986 3.111
572 HG3 GLN 76 HG3 GLN 76 -10.134 4.239 2.695
573 HE21 GLN 76 HE21 GLN 76 -11.215 4.102 0.675
574 HE22 GLN 76 HE22 GLN 76 -11.356 2.599 -0.156
575 H CYS 77 H CYS 77 -6.628 1.215 1.554
576 HA CYS 77 HA CYS 77 -6.220 1.058 -1.390
577 HB2 CYS 77 HB2 CYS 77 -4.101 0.769 -0.197
578 HB3 CYS 77 HB3 CYS 77 -4.792 -0.509 0.795
579 HG CYS 77 HG CYS 77 -3.254 -0.752 -2.060
580 H VAL 78 H VAL 78 -8.274 0.325 -1.985
581 HA VAL 78 HA VAL 78 -9.543 -1.972 -0.725
582 HB VAL 78 HB VAL 78 -10.350 -0.399 -3.233
583 HG11 VAL 78 HG11 VAL 78 -11.957 -2.465 -1.654
584 HG12 VAL 78 HG12 VAL 78 -11.323 -2.665 -3.288
585 HG13 VAL 78 HG13 VAL 78 -12.583 -1.472 -2.973
586 HG21 VAL 78 HG21 VAL 78 -10.422 0.996 -1.209
587 HG22 VAL 78 HG22 VAL 78 -11.414 -0.208 -0.381
588 HG23 VAL 78 HG23 VAL 78 -12.057 0.655 -1.781
589 H ALA 79 H ALA 79 -8.719 -3.988 -1.190
590 HA ALA 79 HA ALA 79 -7.669 -4.752 -3.782
591 HB1 ALA 79 HB1 ALA 79 -7.600 -7.029 -2.853
592 HB2 ALA 79 HB2 ALA 79 -8.527 -6.495 -1.448
593 HB3 ALA 79 HB3 ALA 79 -6.903 -5.865 -1.725
594 H GLY 80 H GLY 80 -10.747 -4.974 -2.120
595 HA2 GLY 80 HA2 GLY 80 -12.511 -4.864 -4.174
596 HA3 GLY 80 HA3 GLY 80 -12.107 -6.576 -4.127
597 H ASP 81 H ASP 81 -12.234 -7.586 -1.872
598 HA ASP 81 HA ASP 81 -14.732 -6.970 -0.550
599 HB2 ASP 81 HB2 ASP 81 -12.529 -8.987 0.024
600 HB3 ASP 81 HB3 ASP 81 -13.970 -8.841 1.028
601 H GLU 82 H GLU 82 -11.324 -7.052 0.557
602 HA GLU 82 HA GLU 82 -12.027 -5.404 2.908
603 HB2 GLU 82 HB2 GLU 82 -9.537 -7.105 2.423
604 HB3 GLU 82 HB3 GLU 82 -9.922 -6.236 3.908
605 HG2 GLU 82 HG2 GLU 82 -12.002 -7.643 4.106
606 HG3 GLU 82 HG3 GLU 82 -11.435 -8.590 2.730
607 H CYS 83 H CYS 83 -10.274 -3.910 3.685
608 HA CYS 83 HA CYS 83 -8.898 -2.433 1.542
609 HB2 CYS 83 HB2 CYS 83 -9.955 -0.288 2.386
610 HB3 CYS 83 HB3 CYS 83 -11.071 -1.386 1.580
611 HG CYS 83 HG CYS 83 -12.202 -0.044 3.873
612 H ALA 84 H ALA 84 -6.968 -1.681 2.183
613 HA ALA 84 HA ALA 84 -6.096 -1.961 4.971
614 HB1 ALA 84 HB1 ALA 84 -3.826 -1.834 4.019
615 HB2 ALA 84 HB2 ALA 84 -4.506 -1.522 2.420
616 HB3 ALA 84 HB3 ALA 84 -4.789 -3.073 3.210
617 H TYR 85 H TYR 85 -5.689 -0.205 6.252
618 HA TYR 85 HA TYR 85 -6.032 2.499 5.096
619 HB2 TYR 85 HB2 TYR 85 -6.340 1.524 7.966
620 HB3 TYR 85 HB3 TYR 85 -6.581 3.188 7.438
621 HD1 TYR 85 HD2 TYR 85 -8.475 3.717 5.832
622 HD2 TYR 85 HD1 TYR 85 -8.117 -0.117 7.695
623 HE1 TYR 85 HE2 TYR 85 -10.820 3.232 5.288
624 HE2 TYR 85 HE1 TYR 85 -10.468 -0.597 7.139
625 HH TYR 85 HH TYR 85 -12.523 0.596 6.627
626 H PHE 86 H PHE 86 -4.548 4.100 5.355
627 HA PHE 86 HA PHE 86 -2.143 3.724 7.029
628 HB2 PHE 86 HB2 PHE 86 -2.079 4.636 4.109
629 HB3 PHE 86 HB3 PHE 86 -0.700 4.650 5.198
630 HD1 PHE 86 HD2 PHE 86 0.331 2.498 5.949
631 HD2 PHE 86 HD1 PHE 86 -2.780 2.582 3.014
632 HE1 PHE 86 HE2 PHE 86 0.898 0.200 5.273
633 HE2 PHE 86 HE1 PHE 86 -2.206 0.287 2.350
634 HZ PHE 86 HZ PHE 86 -0.368 -0.907 3.475
635 H THR 87 H THR 87 -1.420 5.602 7.998
636 HA THR 87 HA THR 87 -2.470 8.227 7.101
637 HB THR 87 HB THR 87 -2.400 7.296 10.015
638 HG1 THR 87 HG1 THR 87 -4.482 7.790 8.151
639 HG21 THR 87 HG21 THR 87 -3.374 9.511 10.574
640 HG22 THR 87 HG22 THR 87 -3.176 10.022 8.896
641 HG23 THR 87 HG23 THR 87 -1.756 9.681 9.888
642 H VAL 88 H VAL 88 -0.683 9.235 6.389
643 HA VAL 88 HA VAL 88 1.939 8.711 7.628
644 HB VAL 88 HB VAL 88 1.327 10.140 5.000
645 HG11 VAL 88 HG11 VAL 88 3.727 9.776 4.477
646 HG12 VAL 88 HG12 VAL 88 3.971 9.078 6.080
647 HG13 VAL 88 HG13 VAL 88 3.521 10.777 5.917
648 HG21 VAL 88 HG21 VAL 88 0.583 7.791 4.887
649 HG22 VAL 88 HG22 VAL 88 2.171 7.244 5.429
650 HG23 VAL 88 HG23 VAL 88 2.000 8.044 3.864
651 H THR 89 H THR 89 2.162 10.090 9.408
652 HA THR 89 HA THR 89 1.443 12.895 9.345
653 HB THR 89 HB THR 89 3.172 11.391 11.366
654 HG1 THR 89 HG1 THR 89 1.175 11.593 12.627
655 HG21 THR 89 HG21 THR 89 1.884 14.145 11.604
656 HG22 THR 89 HG22 THR 89 3.618 13.830 11.476
657 HG23 THR 89 HG23 THR 89 2.722 13.290 12.898
658 H ILE 90 H ILE 90 2.606 14.354 8.213
659 HA ILE 90 HA ILE 90 5.393 13.902 7.490
660 HB ILE 90 HB ILE 90 3.618 16.272 6.782
661 HG12 ILE 90 HG12 ILE 90 2.714 14.133 5.878
662 HG13 ILE 90 HG13 ILE 90 3.250 15.210 4.598
663 HG21 ILE 90 HG21 ILE 90 6.295 15.424 5.597
664 HG22 ILE 90 HG22 ILE 90 5.998 16.848 6.597
665 HG23 ILE 90 HG23 ILE 90 5.279 16.735 4.993
666 HD11 ILE 90 HD11 ILE 90 4.769 12.814 5.633
667 HD12 ILE 90 HD12 ILE 90 5.284 13.882 4.322
668 HD13 ILE 90 HD13 ILE 90 3.832 12.899 4.143
Start of MODEL 9
1 H HIS 1 H1 HIS 1 -16.637 -17.261 -9.035
2 HA HIS 1 HA HIS 1 -13.838 -17.940 -8.317
3 HB2 HIS 1 HB2 HIS 1 -15.031 -15.279 -9.221
4 HB3 HIS 1 HB3 HIS 1 -13.358 -15.534 -8.734
5 HD1 HIS 1 HD1 HIS 1 -15.435 -15.394 -11.668
6 HD2 HIS 1 HD2 HIS 1 -11.997 -17.473 -10.588
7 HE1 HIS 1 HE1 HIS 1 -14.406 -16.154 -13.824
8 HE2 HIS 1 HE2 HIS 1 -12.342 -17.418 -13.156
9 H MET 2 H MET 2 -13.563 -17.981 -6.155
10 HA MET 2 HA MET 2 -15.496 -16.933 -4.283
11 HB2 MET 2 HB2 MET 2 -12.778 -18.232 -3.802
12 HB3 MET 2 HB3 MET 2 -13.992 -17.932 -2.562
13 HG2 MET 2 HG2 MET 2 -15.536 -19.485 -3.723
14 HG3 MET 2 HG3 MET 2 -14.286 -19.797 -4.930
15 HE1 MET 2 HE1 MET 2 -14.463 -22.415 -4.527
16 HE2 MET 2 HE2 MET 2 -15.733 -22.159 -3.328
17 HE3 MET 2 HE3 MET 2 -14.344 -23.174 -2.941
18 HA PRO 3 HA PRO 3 -14.078 -12.777 -3.456
19 HB2 PRO 3 HB2 PRO 3 -14.161 -13.566 -0.532
20 HB3 PRO 3 HB3 PRO 3 -14.835 -12.132 -1.329
21 HG2 PRO 3 HG2 PRO 3 -16.446 -14.132 -0.695
22 HG3 PRO 3 HG3 PRO 3 -16.617 -13.345 -2.280
23 HD2 PRO 3 HD2 PRO 3 -15.357 -16.001 -1.605
24 HD3 PRO 3 HD3 PRO 3 -16.362 -15.549 -2.999
25 H VAL 4 H VAL 4 -12.250 -11.601 -3.235
26 HA VAL 4 HA VAL 4 -9.767 -12.843 -2.255
27 HB VAL 4 HB VAL 4 -9.686 -11.741 -4.475
28 HG11 VAL 4 HG11 VAL 4 -11.363 -9.967 -4.144
29 HG12 VAL 4 HG12 VAL 4 -9.844 -9.283 -4.721
30 HG13 VAL 4 HG13 VAL 4 -10.287 -9.133 -3.020
31 HG21 VAL 4 HG21 VAL 4 -7.626 -10.400 -4.123
32 HG22 VAL 4 HG22 VAL 4 -7.606 -11.867 -3.146
33 HG23 VAL 4 HG23 VAL 4 -7.972 -10.312 -2.395
34 H HIS 5 H HIS 5 -8.444 -11.844 -0.695
35 HA HIS 5 HA HIS 5 -9.728 -9.881 1.128
36 HB2 HIS 5 HB2 HIS 5 -8.116 -12.334 1.988
37 HB3 HIS 5 HB3 HIS 5 -8.994 -11.221 3.039
38 HD1 HIS 5 HD1 HIS 5 -11.647 -11.366 2.953
39 HD2 HIS 5 HD2 HIS 5 -9.665 -14.374 0.880
40 HE1 HIS 5 HE1 HIS 5 -13.405 -13.068 2.401
41 HE2 HIS 5 HE2 HIS 5 -12.197 -14.834 1.073
42 H ILE 6 H ILE 6 -7.949 -9.124 2.826
43 HA ILE 6 HA ILE 6 -5.332 -8.686 1.466
44 HB ILE 6 HB ILE 6 -6.684 -6.886 3.538
45 HG12 ILE 6 HG12 ILE 6 -6.193 -6.481 0.548
46 HG13 ILE 6 HG13 ILE 6 -7.759 -6.707 1.316
47 HG21 ILE 6 HG21 ILE 6 -4.785 -5.326 3.153
48 HG22 ILE 6 HG22 ILE 6 -4.023 -6.510 2.091
49 HG23 ILE 6 HG23 ILE 6 -4.226 -6.865 3.807
50 HD11 ILE 6 HD11 ILE 6 -5.927 -4.333 1.641
51 HD12 ILE 6 HD12 ILE 6 -7.474 -4.547 2.466
52 HD13 ILE 6 HD13 ILE 6 -7.422 -4.406 0.710
53 H VAL 7 H VAL 7 -3.825 -9.964 2.304
54 HA VAL 7 HA VAL 7 -3.997 -11.163 4.933
55 HB VAL 7 HB VAL 7 -1.775 -12.231 4.318
56 HG11 VAL 7 HG11 VAL 7 -4.014 -12.553 2.272
57 HG12 VAL 7 HG12 VAL 7 -3.898 -13.381 3.825
58 HG13 VAL 7 HG13 VAL 7 -2.714 -13.714 2.563
59 HG21 VAL 7 HG21 VAL 7 -2.175 -10.813 1.643
60 HG22 VAL 7 HG22 VAL 7 -0.922 -12.006 2.008
61 HG23 VAL 7 HG23 VAL 7 -0.911 -10.440 2.820
62 H ASP 8 H ASP 8 -2.106 -8.546 3.466
63 HA ASP 8 HA ASP 8 -1.473 -7.419 6.059
64 HB2 ASP 8 HB2 ASP 8 0.396 -9.066 5.666
65 HB3 ASP 8 HB3 ASP 8 0.823 -8.192 4.198
66 HA PRO 9 HA PRO 9 -0.914 -5.487 6.911
67 HB2 PRO 9 HB2 PRO 9 -2.065 -3.072 7.392
68 HB3 PRO 9 HB3 PRO 9 -0.392 -3.227 6.839
69 HG2 PRO 9 HG2 PRO 9 -2.865 -2.611 5.236
70 HG3 PRO 9 HG3 PRO 9 -1.274 -1.826 5.181
71 HD2 PRO 9 HD2 PRO 9 -2.047 -3.727 3.368
72 HD3 PRO 9 HD3 PRO 9 -0.351 -3.503 3.851
73 H ARG 10 H ARG 10 -2.285 -6.438 8.197
74 HA ARG 10 HA ARG 10 -4.941 -7.187 7.401
75 HB2 ARG 10 HB2 ARG 10 -3.113 -8.598 8.561
76 HB3 ARG 10 HB3 ARG 10 -3.516 -7.737 10.039
77 HG2 ARG 10 HG2 ARG 10 -4.618 -9.870 10.049
78 HG3 ARG 10 HG3 ARG 10 -5.842 -8.613 9.866
79 HD2 ARG 10 HD2 ARG 10 -5.951 -9.052 7.447
80 HD3 ARG 10 HD3 ARG 10 -4.693 -10.287 7.603
81 HE ARG 10 HE ARG 10 -6.764 -10.963 9.345
82 HH11 ARG 10 HH11 ARG 10 -6.347 -10.696 5.905
83 HH12 ARG 10 HH12 ARG 10 -7.506 -11.936 5.588
84 HH21 ARG 10 HH21 ARG 10 -8.210 -12.524 8.894
85 HH22 ARG 10 HH22 ARG 10 -8.550 -12.953 7.255
86 H GLU 11 H GLU 11 -3.795 -4.465 8.918
87 HA GLU 11 HA GLU 11 -6.267 -3.763 10.330
88 HB2 GLU 11 HB2 GLU 11 -4.961 -3.208 12.412
89 HB3 GLU 11 HB3 GLU 11 -4.982 -4.930 12.047
90 HG2 GLU 11 HG2 GLU 11 -2.692 -4.602 10.949
91 HG3 GLU 11 HG3 GLU 11 -2.684 -2.986 11.654
92 H HIS 12 H HIS 12 -5.719 -1.462 11.484
93 HA HIS 12 HA HIS 12 -4.958 0.415 9.447
94 HB2 HIS 12 HB2 HIS 12 -6.714 0.924 11.134
95 HB3 HIS 12 HB3 HIS 12 -5.510 0.877 12.415
96 HD1 HIS 12 HD1 HIS 12 -3.905 2.917 12.615
97 HD2 HIS 12 HD2 HIS 12 -6.718 3.279 9.580
98 HE1 HIS 12 HE1 HIS 12 -3.796 5.308 11.883
99 HE2 HIS 12 HE2 HIS 12 -5.556 5.521 10.094
100 H VAL 13 H VAL 13 -2.985 1.252 9.061
101 HA VAL 13 HA VAL 13 -0.754 0.898 10.988
102 HB VAL 13 HB VAL 13 -0.684 1.307 7.953
103 HG11 VAL 13 HG11 VAL 13 1.663 0.914 9.856
104 HG12 VAL 13 HG12 VAL 13 1.281 2.390 8.967
105 HG13 VAL 13 HG13 VAL 13 1.766 0.938 8.091
106 HG21 VAL 13 HG21 VAL 13 -1.413 -0.958 8.602
107 HG22 VAL 13 HG22 VAL 13 0.021 -1.147 9.611
108 HG23 VAL 13 HG23 VAL 13 0.188 -1.007 7.860
109 H PHE 14 H PHE 14 0.398 2.682 11.681
110 HA PHE 14 HA PHE 14 -0.239 5.370 10.589
111 HB2 PHE 14 HB2 PHE 14 -0.763 5.101 13.022
112 HB3 PHE 14 HB3 PHE 14 0.907 4.637 13.333
113 HD1 PHE 14 HD1 PHE 14 -1.289 7.443 12.280
114 HD2 PHE 14 HD2 PHE 14 2.635 6.330 13.570
115 HE1 PHE 14 HE1 PHE 14 -0.705 9.809 12.567
116 HE2 PHE 14 HE2 PHE 14 3.207 8.707 13.859
117 HZ PHE 14 HZ PHE 14 1.537 10.447 13.355
118 H VAL 15 H VAL 15 1.398 6.432 9.554
119 HA VAL 15 HA VAL 15 4.205 5.484 9.825
120 HB VAL 15 HB VAL 15 2.863 6.541 7.286
121 HG11 VAL 15 HG11 VAL 15 4.970 5.963 6.125
122 HG12 VAL 15 HG12 VAL 15 5.700 5.498 7.662
123 HG13 VAL 15 HG13 VAL 15 5.246 7.178 7.373
124 HG21 VAL 15 HG21 VAL 15 3.136 4.251 6.383
125 HG22 VAL 15 HG22 VAL 15 2.099 4.258 7.808
126 HG23 VAL 15 HG23 VAL 15 3.770 3.709 7.940
127 H HIS 16 H HIS 16 5.249 7.067 11.002
128 HA HIS 16 HA HIS 16 4.654 9.899 10.582
129 HB2 HIS 16 HB2 HIS 16 5.186 9.138 12.875
130 HB3 HIS 16 HB3 HIS 16 6.781 8.613 12.347
131 HD1 HIS 16 HD1 HIS 16 8.599 10.386 12.122
132 HD2 HIS 16 HD2 HIS 16 4.867 12.005 12.994
133 HE1 HIS 16 HE1 HIS 16 9.016 12.807 12.590
134 HE2 HIS 16 HE2 HIS 16 6.771 13.742 13.236
135 H ALA 17 H ALA 17 5.428 10.799 8.764
136 HA ALA 17 HA ALA 17 7.971 9.884 7.566
137 HB1 ALA 17 HB1 ALA 17 5.755 11.581 6.372
138 HB2 ALA 17 HB2 ALA 17 5.965 9.843 6.144
139 HB3 ALA 17 HB3 ALA 17 7.174 10.965 5.516
140 H ILE 18 H ILE 18 9.341 11.520 6.529
141 HA ILE 18 HA ILE 18 9.573 14.101 7.983
142 HB ILE 18 HB ILE 18 11.603 12.399 6.455
143 HG12 ILE 18 HG12 ILE 18 11.556 13.215 9.400
144 HG13 ILE 18 HG13 ILE 18 11.051 11.647 8.782
145 HG21 ILE 18 HG21 ILE 18 12.130 14.734 5.955
146 HG22 ILE 18 HG22 ILE 18 13.357 14.045 7.018
147 HG23 ILE 18 HG23 ILE 18 12.128 15.126 7.676
148 HD11 ILE 18 HD11 ILE 18 13.340 11.200 8.039
149 HD12 ILE 18 HD12 ILE 18 13.267 11.555 9.765
150 HD13 ILE 18 HD13 ILE 18 13.847 12.783 8.642
151 H THR 19 H THR 19 9.831 16.056 6.725
152 HA THR 19 HA THR 19 8.419 16.302 4.309
153 HB THR 19 HB THR 19 9.528 18.579 4.101
154 HG1 THR 19 HG1 THR 19 10.876 19.233 5.824
155 HG21 THR 19 HG21 THR 19 7.433 18.323 5.392
156 HG22 THR 19 HG22 THR 19 8.476 19.556 6.100
157 HG23 THR 19 HG23 THR 19 8.369 17.961 6.845
158 H SER 20 H SER 20 8.918 15.530 2.388
159 HA SER 20 HA SER 20 9.917 14.965 0.460
160 HB2 SER 20 HB2 SER 20 10.972 17.262 0.620
161 HB3 SER 20 HB3 SER 20 12.399 16.501 1.321
162 HG SER 20 HG SER 20 12.683 15.347 -0.595
163 H GLU 21 H GLU 21 10.150 13.260 2.823
164 HA GLU 21 HA GLU 21 12.640 11.781 2.658
165 HB2 GLU 21 HB2 GLU 21 11.160 11.945 4.723
166 HB3 GLU 21 HB3 GLU 21 9.988 10.924 3.906
167 HG2 GLU 21 HG2 GLU 21 11.961 9.207 3.731
168 HG3 GLU 21 HG3 GLU 21 12.726 10.192 4.973
169 H CYS 22 H CYS 22 12.767 9.487 1.968
170 HA CYS 22 HA CYS 22 10.872 8.658 -0.125
171 HB2 CYS 22 HB2 CYS 22 12.493 6.779 -0.491
172 HB3 CYS 22 HB3 CYS 22 13.252 8.361 -0.636
173 HG CYS 22 HG CYS 22 13.441 6.767 2.356
174 H VAL 23 H VAL 23 9.043 7.738 0.639
175 HA VAL 23 HA VAL 23 9.118 5.860 2.951
176 HB VAL 23 HB VAL 23 6.747 7.518 1.948
177 HG11 VAL 23 HG11 VAL 23 6.004 5.429 3.012
178 HG12 VAL 23 HG12 VAL 23 5.597 6.811 4.029
179 HG13 VAL 23 HG13 VAL 23 6.975 5.788 4.442
180 HG21 VAL 23 HG21 VAL 23 7.012 8.887 3.993
181 HG22 VAL 23 HG22 VAL 23 8.447 8.983 2.970
182 HG23 VAL 23 HG23 VAL 23 8.466 7.977 4.420
183 H MET 24 H MET 24 8.289 3.777 2.655
184 HA MET 24 HA MET 24 6.883 3.147 0.108
185 HB2 MET 24 HB2 MET 24 9.180 2.170 0.150
186 HB3 MET 24 HB3 MET 24 8.786 1.306 1.629
187 HG2 MET 24 HG2 MET 24 7.001 0.073 0.373
188 HG3 MET 24 HG3 MET 24 7.535 0.881 -1.102
189 HE1 MET 24 HE1 MET 24 11.208 -0.573 -1.454
190 HE2 MET 24 HE2 MET 24 10.782 0.880 -0.552
191 HE3 MET 24 HE3 MET 24 10.026 0.559 -2.114
192 H LEU 25 H LEU 25 4.775 2.876 0.618
193 HA LEU 25 HA LEU 25 3.891 1.658 3.127
194 HB2 LEU 25 HB2 LEU 25 2.258 2.582 0.730
195 HB3 LEU 25 HB3 LEU 25 1.620 2.150 2.311
196 HG LEU 25 HG LEU 25 3.394 4.548 1.698
197 HD11 LEU 25 HD11 LEU 25 0.452 4.430 2.419
198 HD12 LEU 25 HD12 LEU 25 1.133 4.846 0.844
199 HD13 LEU 25 HD13 LEU 25 1.413 5.900 2.226
200 HD21 LEU 25 HD21 LEU 25 2.159 3.711 4.344
201 HD22 LEU 25 HD22 LEU 25 2.982 5.241 4.032
202 HD23 LEU 25 HD23 LEU 25 3.879 3.730 3.944
203 H ALA 26 H ALA 26 4.152 -0.549 3.202
204 HA ALA 26 HA ALA 26 4.096 -2.166 0.771
205 HB1 ALA 26 HB1 ALA 26 4.999 -3.951 2.184
206 HB2 ALA 26 HB2 ALA 26 4.737 -2.969 3.627
207 HB3 ALA 26 HB3 ALA 26 5.911 -2.458 2.413
208 H CYS 27 H CYS 27 2.163 -2.855 0.056
209 HA CYS 27 HA CYS 27 0.357 -4.288 1.916
210 HB2 CYS 27 HB2 CYS 27 -0.758 -2.209 1.192
211 HB3 CYS 27 HB3 CYS 27 -0.526 -2.657 -0.497
212 HG CYS 27 HG CYS 27 -2.171 -4.879 1.443
213 H GLU 28 H GLU 28 -0.388 -6.239 1.231
214 HA GLU 28 HA GLU 28 0.168 -7.268 -1.448
215 HB2 GLU 28 HB2 GLU 28 1.200 -8.484 1.149
216 HB3 GLU 28 HB3 GLU 28 1.013 -9.448 -0.312
217 HG2 GLU 28 HG2 GLU 28 2.631 -8.099 -1.499
218 HG3 GLU 28 HG3 GLU 28 2.710 -6.937 -0.180
219 H VAL 29 H VAL 29 -1.326 -8.710 -2.179
220 HA VAL 29 HA VAL 29 -3.835 -8.880 -0.650
221 HB VAL 29 HB VAL 29 -4.918 -9.280 -2.866
222 HG11 VAL 29 HG11 VAL 29 -4.616 -6.999 -3.767
223 HG12 VAL 29 HG12 VAL 29 -3.164 -6.792 -2.786
224 HG13 VAL 29 HG13 VAL 29 -4.737 -6.981 -2.007
225 HG21 VAL 29 HG21 VAL 29 -3.067 -10.380 -4.059
226 HG22 VAL 29 HG22 VAL 29 -2.121 -8.890 -4.019
227 HG23 VAL 29 HG23 VAL 29 -3.613 -8.965 -4.964
228 H ASP 30 H ASP 30 -5.213 -10.753 -0.966
229 HA ASP 30 HA ASP 30 -3.911 -13.203 -0.274
230 HB2 ASP 30 HB2 ASP 30 -5.917 -12.716 0.862
231 HB3 ASP 30 HB3 ASP 30 -6.754 -12.245 -0.601
232 H ARG 31 H ARG 31 -5.261 -11.975 -3.319
233 HA ARG 31 HA ARG 31 -4.524 -14.508 -4.695
234 HB2 ARG 31 HB2 ARG 31 -6.980 -12.811 -5.356
235 HB3 ARG 31 HB3 ARG 31 -6.464 -14.261 -6.215
236 HG2 ARG 31 HG2 ARG 31 -6.907 -15.626 -4.228
237 HG3 ARG 31 HG3 ARG 31 -7.356 -14.185 -3.315
238 HD2 ARG 31 HD2 ARG 31 -9.227 -13.818 -4.963
239 HD3 ARG 31 HD3 ARG 31 -8.829 -15.377 -5.692
240 HE ARG 31 HE ARG 31 -10.038 -14.900 -3.065
241 HH11 ARG 31 HH11 ARG 31 -8.901 -17.274 -5.339
242 HH12 ARG 31 HH12 ARG 31 -9.636 -18.577 -4.476
243 HH21 ARG 31 HH21 ARG 31 -10.964 -16.581 -2.012
244 HH22 ARG 31 HH22 ARG 31 -10.793 -18.191 -2.619
245 H GLU 32 H GLU 32 -3.265 -14.253 -6.488
246 HA GLU 32 HA GLU 32 -2.150 -11.798 -7.361
247 HB2 GLU 32 HB2 GLU 32 -2.345 -14.404 -8.949
248 HB3 GLU 32 HB3 GLU 32 -1.281 -13.056 -9.332
249 HG2 GLU 32 HG2 GLU 32 0.080 -14.707 -8.339
250 HG3 GLU 32 HG3 GLU 32 -0.129 -13.460 -7.116
251 H ASP 33 H ASP 33 -4.959 -13.601 -8.356
252 HA ASP 33 HA ASP 33 -5.681 -12.513 -10.803
253 HB2 ASP 33 HB2 ASP 33 -6.736 -14.491 -9.804
254 HB3 ASP 33 HB3 ASP 33 -7.390 -13.518 -8.491
255 H ALA 34 H ALA 34 -6.051 -11.109 -7.583
256 HA ALA 34 HA ALA 34 -7.718 -8.892 -8.594
257 HB1 ALA 34 HB1 ALA 34 -7.028 -9.675 -5.750
258 HB2 ALA 34 HB2 ALA 34 -8.526 -10.057 -6.598
259 HB3 ALA 34 HB3 ALA 34 -8.133 -8.378 -6.231
260 HA PRO 35 HA PRO 35 -4.141 -6.075 -8.026
261 HB2 PRO 35 HB2 PRO 35 -5.199 -3.894 -9.109
262 HB3 PRO 35 HB3 PRO 35 -5.013 -5.340 -10.114
263 HG2 PRO 35 HG2 PRO 35 -7.488 -4.290 -8.742
264 HG3 PRO 35 HG3 PRO 35 -7.306 -4.901 -10.400
265 HD2 PRO 35 HD2 PRO 35 -8.202 -6.420 -8.213
266 HD3 PRO 35 HD3 PRO 35 -7.563 -7.091 -9.730
267 H VAL 36 H VAL 36 -4.619 -3.307 -7.429
268 HA VAL 36 HA VAL 36 -6.282 -3.158 -4.994
269 HB VAL 36 HB VAL 36 -4.468 -1.648 -3.936
270 HG11 VAL 36 HG11 VAL 36 -4.948 -3.879 -3.034
271 HG12 VAL 36 HG12 VAL 36 -3.222 -3.527 -2.940
272 HG13 VAL 36 HG13 VAL 36 -3.833 -4.609 -4.193
273 HG21 VAL 36 HG21 VAL 36 -2.682 -3.040 -5.976
274 HG22 VAL 36 HG22 VAL 36 -2.135 -1.994 -4.663
275 HG23 VAL 36 HG23 VAL 36 -3.100 -1.324 -5.978
276 H ARG 37 H ARG 37 -6.790 -0.974 -4.363
277 HA ARG 37 HA ARG 37 -6.472 1.135 -6.429
278 HB2 ARG 37 HB2 ARG 37 -8.878 0.673 -4.598
279 HB3 ARG 37 HB3 ARG 37 -8.671 2.058 -5.669
280 HG2 ARG 37 HG2 ARG 37 -8.674 0.505 -7.624
281 HG3 ARG 37 HG3 ARG 37 -8.982 -0.839 -6.519
282 HD2 ARG 37 HD2 ARG 37 -10.794 1.575 -6.865
283 HD3 ARG 37 HD3 ARG 37 -11.035 0.017 -7.654
284 HE ARG 37 HE ARG 37 -11.177 -0.894 -5.283
285 HH11 ARG 37 HH11 ARG 37 -12.142 2.374 -5.929
286 HH12 ARG 37 HH12 ARG 37 -13.429 2.303 -4.785
287 HH21 ARG 37 HH21 ARG 37 -12.834 -0.930 -3.858
288 HH22 ARG 37 HH22 ARG 37 -13.817 0.473 -3.629
289 H TRP 38 H TRP 38 -4.776 2.258 -5.538
290 HA TRP 38 HA TRP 38 -4.705 2.943 -2.694
291 HB2 TRP 38 HB2 TRP 38 -2.797 3.518 -4.997
292 HB3 TRP 38 HB3 TRP 38 -2.566 4.189 -3.389
293 HD1 TRP 38 HD1 TRP 38 -2.190 0.936 -5.350
294 HE1 TRP 38 HE1 TRP 38 -0.829 -0.718 -3.926
295 HE3 TRP 38 HE3 TRP 38 -2.160 3.495 -0.921
296 HZ2 TRP 38 HZ2 TRP 38 0.119 -0.925 -1.293
297 HZ3 TRP 38 HZ3 TRP 38 -1.000 2.497 1.010
298 HH2 TRP 38 HH2 TRP 38 0.117 0.328 0.824
299 H TYR 39 H TYR 39 -5.211 4.911 -1.861
300 HA TYR 39 HA TYR 39 -6.025 7.122 -3.683
301 HB2 TYR 39 HB2 TYR 39 -7.260 6.206 -1.042
302 HB3 TYR 39 HB3 TYR 39 -7.651 7.748 -1.800
303 HD1 TYR 39 HD1 TYR 39 -8.010 4.051 -2.125
304 HD2 TYR 39 HD2 TYR 39 -9.054 7.853 -3.783
305 HE1 TYR 39 HE1 TYR 39 -9.695 2.971 -3.562
306 HE2 TYR 39 HE2 TYR 39 -10.736 6.772 -5.202
307 HH TYR 39 HH TYR 39 -11.060 4.488 -6.207
308 H LYS 40 H LYS 40 -4.840 8.955 -3.452
309 HA LYS 40 HA LYS 40 -3.162 9.368 -1.051
310 HB2 LYS 40 HB2 LYS 40 -2.202 9.500 -3.416
311 HB3 LYS 40 HB3 LYS 40 -3.157 10.947 -3.675
312 HG2 LYS 40 HG2 LYS 40 -1.121 10.767 -1.434
313 HG3 LYS 40 HG3 LYS 40 -0.641 11.188 -3.073
314 HD2 LYS 40 HD2 LYS 40 -2.170 13.159 -2.991
315 HD3 LYS 40 HD3 LYS 40 -2.596 12.741 -1.328
316 HE2 LYS 40 HE2 LYS 40 -0.896 14.551 -1.456
317 HE3 LYS 40 HE3 LYS 40 -0.305 13.127 -0.598
318 HZ1 LYS 40 HZ1 LYS 40 0.279 13.761 -3.438
319 HZ2 LYS 40 HZ2 LYS 40 0.906 12.464 -2.551
320 HZ3 LYS 40 HZ3 LYS 40 1.328 14.045 -2.142
321 H ASP 41 H ASP 41 -4.470 10.246 0.532
322 HA ASP 41 HA ASP 41 -5.892 11.606 1.681
323 HB2 ASP 41 HB2 ASP 41 -4.292 13.356 0.654
324 HB3 ASP 41 HB3 ASP 41 -5.521 13.656 -0.562
325 H GLY 42 H GLY 42 -6.915 9.769 -0.477
326 HA2 GLY 42 HA2 GLY 42 -9.046 9.098 -1.148
327 HA3 GLY 42 HA3 GLY 42 -9.696 10.643 -0.621
328 H GLN 43 H GLN 43 -7.119 11.352 -2.568
329 HA GLN 43 HA GLN 43 -8.618 12.470 -4.687
330 HB2 GLN 43 HB2 GLN 43 -6.469 13.381 -3.954
331 HB3 GLN 43 HB3 GLN 43 -5.643 11.897 -4.399
332 HG2 GLN 43 HG2 GLN 43 -6.151 12.378 -6.800
333 HG3 GLN 43 HG3 GLN 43 -6.873 13.911 -6.314
334 HE21 GLN 43 HE21 GLN 43 -5.475 15.585 -5.544
335 HE22 GLN 43 HE22 GLN 43 -3.773 15.537 -5.826
336 H GLU 44 H GLU 44 -7.428 9.233 -4.329
337 HA GLU 44 HA GLU 44 -7.121 7.403 -5.622
338 HB2 GLU 44 HB2 GLU 44 -9.204 7.954 -6.868
339 HB3 GLU 44 HB3 GLU 44 -8.292 8.985 -7.954
340 HG2 GLU 44 HG2 GLU 44 -8.655 6.983 -9.147
341 HG3 GLU 44 HG3 GLU 44 -6.973 6.911 -8.633
342 H VAL 45 H VAL 45 -5.153 6.739 -6.196
343 HA VAL 45 HA VAL 45 -3.156 8.635 -7.067
344 HB VAL 45 HB VAL 45 -2.923 5.639 -6.535
345 HG11 VAL 45 HG11 VAL 45 -0.690 7.643 -7.074
346 HG12 VAL 45 HG12 VAL 45 -1.182 6.323 -8.135
347 HG13 VAL 45 HG13 VAL 45 -0.466 5.967 -6.564
348 HG21 VAL 45 HG21 VAL 45 -3.426 6.967 -4.509
349 HG22 VAL 45 HG22 VAL 45 -2.038 8.010 -4.833
350 HG23 VAL 45 HG23 VAL 45 -1.790 6.306 -4.444
351 H GLU 46 H GLU 46 -3.531 9.276 -9.129
352 HA GLU 46 HA GLU 46 -3.269 7.286 -11.309
353 HB2 GLU 46 HB2 GLU 46 -5.079 9.127 -11.359
354 HB3 GLU 46 HB3 GLU 46 -3.765 10.276 -11.595
355 HG2 GLU 46 HG2 GLU 46 -3.154 9.204 -13.698
356 HG3 GLU 46 HG3 GLU 46 -4.356 7.941 -13.438
357 H GLU 47 H GLU 47 -1.202 7.336 -9.754
358 HA GLU 47 HA GLU 47 0.911 7.751 -9.224
359 HB2 GLU 47 HB2 GLU 47 1.147 8.244 -12.213
360 HB3 GLU 47 HB3 GLU 47 2.508 7.976 -11.131
361 HG2 GLU 47 HG2 GLU 47 2.153 5.883 -12.139
362 HG3 GLU 47 HG3 GLU 47 1.434 5.731 -10.544
363 H SER 48 H SER 48 -0.883 10.077 -9.032
364 HA SER 48 HA SER 48 0.431 12.491 -9.750
365 HB2 SER 48 HB2 SER 48 -1.653 12.044 -7.566
366 HB3 SER 48 HB3 SER 48 -1.254 13.581 -8.333
367 HG SER 48 HG SER 48 -3.155 12.566 -9.183
368 H ASP 49 H ASP 49 1.729 13.892 -8.524
369 HA ASP 49 HA ASP 49 3.297 14.593 -7.042
370 HB2 ASP 49 HB2 ASP 49 1.705 13.059 -4.949
371 HB3 ASP 49 HB3 ASP 49 2.847 14.362 -4.634
372 H PHE 50 H PHE 50 4.005 12.311 -8.483
373 HA PHE 50 HA PHE 50 5.713 10.846 -8.734
374 HB2 PHE 50 HB2 PHE 50 6.584 11.730 -5.947
375 HB3 PHE 50 HB3 PHE 50 7.531 10.693 -7.002
376 HD1 PHE 50 HD1 PHE 50 8.428 11.624 -9.181
377 HD2 PHE 50 HD2 PHE 50 6.680 14.124 -6.182
378 HE1 PHE 50 HE1 PHE 50 9.528 13.589 -10.168
379 HE2 PHE 50 HE2 PHE 50 7.784 16.086 -7.179
380 HZ PHE 50 HZ PHE 50 9.213 15.819 -9.172
381 H VAL 51 H VAL 51 3.159 10.205 -6.823
382 HA VAL 51 HA VAL 51 4.035 7.984 -5.242
383 HB VAL 51 HB VAL 51 1.176 8.651 -6.114
384 HG11 VAL 51 HG11 VAL 51 0.485 7.352 -4.125
385 HG12 VAL 51 HG12 VAL 51 2.171 6.933 -3.811
386 HG13 VAL 51 HG13 VAL 51 1.375 6.355 -5.277
387 HG21 VAL 51 HG21 VAL 51 2.605 9.491 -3.557
388 HG22 VAL 51 HG22 VAL 51 0.917 9.815 -3.960
389 HG23 VAL 51 HG23 VAL 51 2.207 10.557 -4.908
390 H VAL 52 H VAL 52 5.046 6.380 -6.450
391 HA VAL 52 HA VAL 52 3.722 5.279 -8.852
392 HB VAL 52 HB VAL 52 5.921 4.077 -9.250
393 HG11 VAL 52 HG11 VAL 52 7.119 6.082 -10.072
394 HG12 VAL 52 HG12 VAL 52 6.061 7.114 -9.107
395 HG13 VAL 52 HG13 VAL 52 5.392 6.163 -10.433
396 HG21 VAL 52 HG21 VAL 52 7.950 4.846 -8.049
397 HG22 VAL 52 HG22 VAL 52 6.814 4.071 -6.944
398 HG23 VAL 52 HG23 VAL 52 6.949 5.831 -6.975
399 H LEU 53 H LEU 53 2.888 3.263 -8.928
400 HA LEU 53 HA LEU 53 2.774 1.713 -6.402
401 HB2 LEU 53 HB2 LEU 53 0.893 1.548 -8.792
402 HB3 LEU 53 HB3 LEU 53 0.649 0.841 -7.199
403 HG LEU 53 HG LEU 53 0.634 3.814 -7.870
404 HD11 LEU 53 HD11 LEU 53 -1.739 3.754 -7.248
405 HD12 LEU 53 HD12 LEU 53 -1.642 2.008 -7.002
406 HD13 LEU 53 HD13 LEU 53 -1.397 2.692 -8.612
407 HD21 LEU 53 HD21 LEU 53 0.279 2.488 -5.157
408 HD22 LEU 53 HD22 LEU 53 -0.009 4.195 -5.507
409 HD23 LEU 53 HD23 LEU 53 1.613 3.530 -5.659
410 H GLU 54 H GLU 54 3.952 -0.107 -6.342
411 HA GLU 54 HA GLU 54 4.941 -1.386 -8.799
412 HB2 GLU 54 HB2 GLU 54 5.788 -1.917 -5.918
413 HB3 GLU 54 HB3 GLU 54 6.639 -2.401 -7.383
414 HG2 GLU 54 HG2 GLU 54 6.255 0.436 -6.380
415 HG3 GLU 54 HG3 GLU 54 7.736 -0.509 -6.282
416 H ASN 55 H ASN 55 3.848 -3.079 -9.560
417 HA ASN 55 HA ASN 55 2.308 -4.853 -7.742
418 HB2 ASN 55 HB2 ASN 55 1.593 -3.933 -10.570
419 HB3 ASN 55 HB3 ASN 55 0.692 -5.139 -9.650
420 HD21 ASN 55 HD21 ASN 55 1.597 -1.747 -9.783
421 HD22 ASN 55 HD22 ASN 55 0.317 -1.178 -8.775
422 H GLU 56 H GLU 56 2.899 -6.905 -7.795
423 HA GLU 56 HA GLU 56 3.941 -8.260 -10.137
424 HB2 GLU 56 HB2 GLU 56 5.993 -7.224 -9.154
425 HB3 GLU 56 HB3 GLU 56 5.647 -7.983 -7.608
426 HG2 GLU 56 HG2 GLU 56 7.415 -9.186 -8.771
427 HG3 GLU 56 HG3 GLU 56 5.989 -10.208 -8.607
428 H GLY 57 H GLY 57 2.136 -9.580 -9.969
429 HA2 GLY 57 HA2 GLY 57 0.845 -11.352 -9.329
430 HA3 GLY 57 HA3 GLY 57 2.181 -11.861 -8.315
431 HA PRO 58 HA PRO 58 -0.706 -10.643 -5.004
432 HB2 PRO 58 HB2 PRO 58 0.858 -11.788 -2.934
433 HB3 PRO 58 HB3 PRO 58 -0.446 -12.577 -3.819
434 HG2 PRO 58 HG2 PRO 58 2.343 -13.209 -3.929
435 HG3 PRO 58 HG3 PRO 58 1.038 -13.917 -4.896
436 HD2 PRO 58 HD2 PRO 58 3.006 -11.809 -5.635
437 HD3 PRO 58 HD3 PRO 58 2.114 -12.939 -6.678
438 H HIS 59 H HIS 59 2.558 -9.589 -5.425
439 HA HIS 59 HA HIS 59 2.697 -7.882 -3.071
440 HB2 HIS 59 HB2 HIS 59 4.536 -8.000 -5.497
441 HB3 HIS 59 HB3 HIS 59 4.866 -7.134 -3.999
442 HD1 HIS 59 HD1 HIS 59 5.952 -8.466 -2.130
443 HD2 HIS 59 HD2 HIS 59 4.556 -10.888 -5.195
444 HE1 HIS 59 HE1 HIS 59 6.879 -10.743 -1.655
445 HE2 HIS 59 HE2 HIS 59 5.877 -12.223 -3.423
446 H ARG 60 H ARG 60 1.555 -6.009 -2.990
447 HA ARG 60 HA ARG 60 0.956 -4.473 -5.479
448 HB2 ARG 60 HB2 ARG 60 -0.931 -5.183 -3.185
449 HB3 ARG 60 HB3 ARG 60 -1.345 -4.133 -4.531
450 HG2 ARG 60 HG2 ARG 60 -0.657 -7.080 -4.767
451 HG3 ARG 60 HG3 ARG 60 -2.290 -6.409 -4.749
452 HD2 ARG 60 HD2 ARG 60 -1.783 -5.147 -6.819
453 HD3 ARG 60 HD3 ARG 60 -0.160 -5.851 -6.842
454 HE ARG 60 HE ARG 60 -1.958 -7.972 -6.766
455 HH11 ARG 60 HH11 ARG 60 -1.280 -5.376 -8.957
456 HH12 ARG 60 HH12 ARG 60 -1.700 -6.311 -10.350
457 HH21 ARG 60 HH21 ARG 60 -2.526 -9.123 -8.558
458 HH22 ARG 60 HH22 ARG 60 -2.408 -8.399 -10.124
459 H ARG 61 H ARG 61 3.040 -3.482 -4.206
460 HA ARG 61 HA ARG 61 2.259 -1.905 -1.829
461 HB2 ARG 61 HB2 ARG 61 4.697 -1.749 -1.361
462 HB3 ARG 61 HB3 ARG 61 4.130 -3.412 -1.480
463 HG2 ARG 61 HG2 ARG 61 5.058 -3.570 -3.768
464 HG3 ARG 61 HG3 ARG 61 5.625 -1.901 -3.648
465 HD2 ARG 61 HD2 ARG 61 7.460 -3.468 -3.221
466 HD3 ARG 61 HD3 ARG 61 7.099 -2.531 -1.767
467 HE ARG 61 HE ARG 61 5.635 -4.896 -1.606
468 HH11 ARG 61 HH11 ARG 61 8.988 -4.021 -1.634
469 HH12 ARG 61 HH12 ARG 61 9.450 -5.400 -0.700
470 HH21 ARG 61 HH21 ARG 61 6.269 -6.652 -0.416
471 HH22 ARG 61 HH22 ARG 61 7.941 -6.859 -0.022
472 H LEU 62 H LEU 62 2.665 0.245 -1.580
473 HA LEU 62 HA LEU 62 3.033 1.945 -3.931
474 HB2 LEU 62 HB2 LEU 62 1.203 2.320 -2.284
475 HB3 LEU 62 HB3 LEU 62 2.380 2.611 -1.023
476 HG LEU 62 HG LEU 62 2.246 4.425 -3.467
477 HD11 LEU 62 HD11 LEU 62 0.572 4.721 -0.947
478 HD12 LEU 62 HD12 LEU 62 -0.033 4.358 -2.565
479 HD13 LEU 62 HD13 LEU 62 0.713 5.919 -2.238
480 HD21 LEU 62 HD21 LEU 62 3.143 6.133 -1.913
481 HD22 LEU 62 HD22 LEU 62 4.210 4.738 -2.025
482 HD23 LEU 62 HD23 LEU 62 3.172 4.937 -0.612
483 H VAL 63 H VAL 63 5.015 2.759 -4.450
484 HA VAL 63 HA VAL 63 7.016 3.276 -2.315
485 HB VAL 63 HB VAL 63 7.465 2.900 -5.319
486 HG11 VAL 63 HG11 VAL 63 9.894 3.100 -4.862
487 HG12 VAL 63 HG12 VAL 63 9.551 3.498 -3.178
488 HG13 VAL 63 HG13 VAL 63 9.045 4.594 -4.464
489 HG21 VAL 63 HG21 VAL 63 8.346 1.168 -2.972
490 HG22 VAL 63 HG22 VAL 63 8.726 0.876 -4.672
491 HG23 VAL 63 HG23 VAL 63 7.057 0.781 -4.114
492 H LEU 64 H LEU 64 7.790 5.334 -2.043
493 HA LEU 64 HA LEU 64 6.870 7.531 -3.773
494 HB2 LEU 64 HB2 LEU 64 5.225 7.130 -1.887
495 HB3 LEU 64 HB3 LEU 64 6.498 7.501 -0.746
496 HG LEU 64 HG LEU 64 4.825 9.357 -1.130
497 HD11 LEU 64 HD11 LEU 64 7.053 9.827 -0.209
498 HD12 LEU 64 HD12 LEU 64 6.419 11.162 -1.165
499 HD13 LEU 64 HD13 LEU 64 7.665 10.108 -1.849
500 HD21 LEU 64 HD21 LEU 64 6.138 9.612 -3.852
501 HD22 LEU 64 HD22 LEU 64 4.931 10.699 -3.157
502 HD23 LEU 64 HD23 LEU 64 4.496 9.038 -3.551
503 HA PRO 65 HA PRO 65 11.274 8.402 -2.938
504 HB2 PRO 65 HB2 PRO 65 11.733 10.126 -4.942
505 HB3 PRO 65 HB3 PRO 65 11.330 8.433 -5.273
506 HG2 PRO 65 HG2 PRO 65 9.500 10.843 -5.302
507 HG3 PRO 65 HG3 PRO 65 9.678 9.581 -6.527
508 HD2 PRO 65 HD2 PRO 65 7.698 9.552 -4.643
509 HD3 PRO 65 HD3 PRO 65 8.370 8.069 -5.361
510 H ALA 66 H ALA 66 8.969 11.171 -3.194
511 HA ALA 66 HA ALA 66 10.580 12.727 -1.254
512 HB1 ALA 66 HB1 ALA 66 10.315 14.777 -2.595
513 HB2 ALA 66 HB2 ALA 66 9.488 13.868 -3.864
514 HB3 ALA 66 HB3 ALA 66 11.187 13.550 -3.510
515 H THR 67 H THR 67 9.187 12.714 0.451
516 HA THR 67 HA THR 67 6.372 12.399 0.228
517 HB THR 67 HB THR 67 7.783 13.276 2.784
518 HG1 THR 67 HG1 THR 67 7.666 10.679 1.611
519 HG21 THR 67 HG21 THR 67 6.120 11.855 3.890
520 HG22 THR 67 HG22 THR 67 5.446 11.385 2.330
521 HG23 THR 67 HG23 THR 67 5.298 13.053 2.887
522 H GLN 68 H GLN 68 8.299 15.280 0.312
523 HA GLN 68 HA GLN 68 7.877 17.531 0.423
524 HB2 GLN 68 HB2 GLN 68 5.131 16.641 -0.598
525 HB3 GLN 68 HB3 GLN 68 5.845 18.234 -0.823
526 HG2 GLN 68 HG2 GLN 68 7.492 17.387 -2.343
527 HG3 GLN 68 HG3 GLN 68 7.107 15.717 -1.932
528 HE21 GLN 68 HE21 GLN 68 6.648 15.080 -4.026
529 HE22 GLN 68 HE22 GLN 68 5.277 15.645 -4.906
530 HA PRO 69 HA PRO 69 4.687 18.074 3.938
531 HB2 PRO 69 HB2 PRO 69 3.148 20.267 3.401
532 HB3 PRO 69 HB3 PRO 69 4.815 20.412 3.979
533 HG2 PRO 69 HG2 PRO 69 3.771 20.601 1.155
534 HG3 PRO 69 HG3 PRO 69 4.921 21.667 1.990
535 HD2 PRO 69 HD2 PRO 69 5.732 19.706 0.278
536 HD3 PRO 69 HD3 PRO 69 6.705 20.193 1.684
537 H SER 70 H SER 70 3.846 17.773 0.615
538 HA SER 70 HA SER 70 1.045 17.779 0.569
539 HB2 SER 70 HB2 SER 70 2.967 16.345 -1.303
540 HB3 SER 70 HB3 SER 70 1.288 16.753 -1.663
541 HG SER 70 HG SER 70 2.972 18.249 -2.443
542 H ASP 71 H ASP 71 3.245 14.951 0.840
543 HA ASP 71 HA ASP 71 1.039 13.049 0.645
544 HB2 ASP 71 HB2 ASP 71 4.042 12.666 0.924
545 HB3 ASP 71 HB3 ASP 71 2.902 11.329 0.783
546 H GLY 72 H GLY 72 1.438 14.830 3.120
547 HA2 GLY 72 HA2 GLY 72 1.434 12.800 5.256
548 HA3 GLY 72 HA3 GLY 72 1.385 14.544 5.459
549 H GLY 73 H GLY 73 -0.529 11.707 4.544
550 HA2 GLY 73 HA2 GLY 73 -2.842 12.643 5.938
551 HA3 GLY 73 HA3 GLY 73 -3.052 12.837 4.203
552 H GLU 74 H GLU 74 -4.840 11.396 4.377
553 HA GLU 74 HA GLU 74 -4.531 8.685 5.345
554 HB2 GLU 74 HB2 GLU 74 -6.885 10.019 3.933
555 HB3 GLU 74 HB3 GLU 74 -6.938 8.466 4.768
556 HG2 GLU 74 HG2 GLU 74 -6.501 9.554 6.904
557 HG3 GLU 74 HG3 GLU 74 -6.297 11.112 6.112
558 H PHE 75 H PHE 75 -3.376 7.301 4.076
559 HA PHE 75 HA PHE 75 -3.954 7.096 1.187
560 HB2 PHE 75 HB2 PHE 75 -1.680 5.980 2.875
561 HB3 PHE 75 HB3 PHE 75 -1.950 5.503 1.203
562 HD1 PHE 75 HD2 PHE 75 -1.431 8.594 3.288
563 HD2 PHE 75 HD1 PHE 75 -0.871 6.712 -0.511
564 HE1 PHE 75 HE2 PHE 75 -0.081 10.504 2.534
565 HE2 PHE 75 HE1 PHE 75 0.480 8.629 -1.255
566 HZ PHE 75 HZ PHE 75 0.880 10.524 0.265
567 H GLN 76 H GLN 76 -5.469 5.647 0.611
568 HA GLN 76 HA GLN 76 -6.092 3.353 2.401
569 HB2 GLN 76 HB2 GLN 76 -7.870 5.063 2.294
570 HB3 GLN 76 HB3 GLN 76 -7.934 4.915 0.541
571 HG2 GLN 76 HG2 GLN 76 -8.697 2.565 0.784
572 HG3 GLN 76 HG3 GLN 76 -8.656 2.747 2.539
573 HE21 GLN 76 HE21 GLN 76 -10.908 2.125 0.775
574 HE22 GLN 76 HE22 GLN 76 -12.100 3.328 1.075
575 H CYS 77 H CYS 77 -5.974 1.324 1.569
576 HA CYS 77 HA CYS 77 -5.555 0.968 -1.359
577 HB2 CYS 77 HB2 CYS 77 -3.482 0.599 -0.030
578 HB3 CYS 77 HB3 CYS 77 -4.305 -0.649 0.902
579 HG CYS 77 HG CYS 77 -2.851 -2.173 -0.730
580 H VAL 78 H VAL 78 -7.439 0.115 -2.138
581 HA VAL 78 HA VAL 78 -8.877 -1.967 -0.584
582 HB VAL 78 HB VAL 78 -9.966 -0.505 -3.031
583 HG11 VAL 78 HG11 VAL 78 -11.139 -2.591 -2.429
584 HG12 VAL 78 HG12 VAL 78 -12.172 -1.189 -2.147
585 HG13 VAL 78 HG13 VAL 78 -11.390 -1.995 -0.785
586 HG21 VAL 78 HG21 VAL 78 -9.408 1.215 -1.368
587 HG22 VAL 78 HG22 VAL 78 -10.317 0.346 -0.130
588 HG23 VAL 78 HG23 VAL 78 -11.158 1.043 -1.518
589 H ALA 79 H ALA 79 -8.250 -3.993 -1.159
590 HA ALA 79 HA ALA 79 -7.052 -4.744 -3.646
591 HB1 ALA 79 HB1 ALA 79 -7.189 -7.047 -2.780
592 HB2 ALA 79 HB2 ALA 79 -8.276 -6.512 -1.495
593 HB3 ALA 79 HB3 ALA 79 -6.607 -5.941 -1.532
594 H GLY 80 H GLY 80 -10.248 -5.352 -2.250
595 HA2 GLY 80 HA2 GLY 80 -11.723 -5.266 -4.667
596 HA3 GLY 80 HA3 GLY 80 -11.386 -6.947 -4.254
597 H ASP 81 H ASP 81 -12.276 -7.845 -2.385
598 HA ASP 81 HA ASP 81 -14.776 -6.800 -1.457
599 HB2 ASP 81 HB2 ASP 81 -13.131 -9.143 -0.405
600 HB3 ASP 81 HB3 ASP 81 -14.828 -8.834 -0.042
601 H GLU 82 H GLU 82 -11.487 -6.814 -0.160
602 HA GLU 82 HA GLU 82 -12.400 -5.457 2.324
603 HB2 GLU 82 HB2 GLU 82 -9.877 -7.135 1.956
604 HB3 GLU 82 HB3 GLU 82 -10.401 -6.357 3.450
605 HG2 GLU 82 HG2 GLU 82 -12.498 -7.771 3.332
606 HG3 GLU 82 HG3 GLU 82 -11.751 -8.648 2.000
607 H CYS 83 H CYS 83 -10.821 -3.971 3.314
608 HA CYS 83 HA CYS 83 -9.103 -2.452 1.463
609 HB2 CYS 83 HB2 CYS 83 -10.213 -0.317 2.111
610 HB3 CYS 83 HB3 CYS 83 -11.319 -1.401 1.274
611 HG CYS 83 HG CYS 83 -11.402 -1.688 4.616
612 H ALA 84 H ALA 84 -7.338 -1.572 2.459
613 HA ALA 84 HA ALA 84 -7.090 -1.688 5.412
614 HB1 ALA 84 HB1 ALA 84 -4.661 -1.872 5.030
615 HB2 ALA 84 HB2 ALA 84 -4.918 -1.776 3.286
616 HB3 ALA 84 HB3 ALA 84 -5.534 -3.158 4.192
617 H TYR 85 H TYR 85 -5.963 0.095 6.473
618 HA TYR 85 HA TYR 85 -6.137 2.684 5.009
619 HB2 TYR 85 HB2 TYR 85 -6.949 2.158 7.899
620 HB3 TYR 85 HB3 TYR 85 -6.981 3.723 7.099
621 HD1 TYR 85 HD2 TYR 85 -8.642 4.114 5.208
622 HD2 TYR 85 HD1 TYR 85 -8.795 0.606 7.654
623 HE1 TYR 85 HE2 TYR 85 -10.957 3.706 4.486
624 HE2 TYR 85 HE1 TYR 85 -11.110 0.207 6.925
625 HH TYR 85 HH TYR 85 -13.006 1.491 6.029
626 H PHE 86 H PHE 86 -4.366 3.914 5.092
627 HA PHE 86 HA PHE 86 -2.327 3.596 7.233
628 HB2 PHE 86 HB2 PHE 86 -1.955 4.677 4.395
629 HB3 PHE 86 HB3 PHE 86 -0.693 4.571 5.615
630 HD1 PHE 86 HD1 PHE 86 -2.988 2.490 3.510
631 HD2 PHE 86 HD2 PHE 86 0.615 2.585 5.815
632 HE1 PHE 86 HE1 PHE 86 -2.371 0.271 2.647
633 HE2 PHE 86 HE2 PHE 86 1.225 0.366 4.941
634 HZ PHE 86 HZ PHE 86 -0.264 -0.792 3.359
635 H THR 87 H THR 87 -2.144 5.354 8.577
636 HA THR 87 HA THR 87 -3.012 8.040 7.649
637 HB THR 87 HB THR 87 -2.653 6.984 10.498
638 HG1 THR 87 HG1 THR 87 -5.059 8.018 9.431
639 HG21 THR 87 HG21 THR 87 -3.548 9.168 11.262
640 HG22 THR 87 HG22 THR 87 -3.518 9.763 9.603
641 HG23 THR 87 HG23 THR 87 -2.006 9.372 10.424
642 H VAL 88 H VAL 88 -1.227 8.860 6.647
643 HA VAL 88 HA VAL 88 1.432 8.657 7.875
644 HB VAL 88 HB VAL 88 0.635 9.949 5.220
645 HG11 VAL 88 HG11 VAL 88 2.741 10.876 6.085
646 HG12 VAL 88 HG12 VAL 88 3.061 9.858 4.681
647 HG13 VAL 88 HG13 VAL 88 3.396 9.250 6.304
648 HG21 VAL 88 HG21 VAL 88 0.178 7.523 5.178
649 HG22 VAL 88 HG22 VAL 88 1.826 7.186 5.713
650 HG23 VAL 88 HG23 VAL 88 1.543 7.918 4.132
651 H THR 89 H THR 89 2.044 10.199 9.292
652 HA THR 89 HA THR 89 1.125 13.008 8.929
653 HB THR 89 HB THR 89 1.780 11.632 11.579
654 HG1 THR 89 HG1 THR 89 -0.642 12.163 10.235
655 HG21 THR 89 HG21 THR 89 0.726 14.446 11.062
656 HG22 THR 89 HG22 THR 89 2.350 14.049 11.626
657 HG23 THR 89 HG23 THR 89 0.955 13.706 12.648
658 H ILE 90 H ILE 90 2.734 14.320 8.369
659 HA ILE 90 HA ILE 90 5.525 13.501 8.526
660 HB ILE 90 HB ILE 90 4.247 16.001 7.341
661 HG12 ILE 90 HG12 ILE 90 5.259 13.479 5.931
662 HG13 ILE 90 HG13 ILE 90 3.564 13.859 6.215
663 HG21 ILE 90 HG21 ILE 90 7.102 14.978 7.052
664 HG22 ILE 90 HG22 ILE 90 6.594 16.440 7.901
665 HG23 ILE 90 HG23 ILE 90 6.408 16.331 6.151
666 HD11 ILE 90 HD11 ILE 90 3.773 15.828 4.770
667 HD12 ILE 90 HD12 ILE 90 4.196 14.333 3.937
668 HD13 ILE 90 HD13 ILE 90 5.468 15.425 4.480
Start of MODEL 10
1 H HIS 1 H1 HIS 1 -17.341 -19.957 -6.106
2 HA HIS 1 HA HIS 1 -18.656 -17.450 -5.259
3 HB2 HIS 1 HB2 HIS 1 -19.963 -19.569 -4.761
4 HB3 HIS 1 HB3 HIS 1 -18.590 -20.150 -3.830
5 HD1 HIS 1 HD1 HIS 1 -21.277 -17.487 -3.760
6 HD2 HIS 1 HD2 HIS 1 -18.452 -19.159 -1.209
7 HE1 HIS 1 HE1 HIS 1 -21.837 -16.619 -1.477
8 HE2 HIS 1 HE2 HIS 1 -19.974 -17.446 -0.019
9 H MET 2 H MET 2 -16.253 -16.811 -5.736
10 HA MET 2 HA MET 2 -14.697 -17.073 -3.224
11 HB2 MET 2 HB2 MET 2 -13.593 -17.199 -6.065
12 HB3 MET 2 HB3 MET 2 -12.584 -16.937 -4.648
13 HG2 MET 2 HG2 MET 2 -13.306 -19.135 -3.757
14 HG3 MET 2 HG3 MET 2 -14.243 -19.398 -5.232
15 HE1 MET 2 HE1 MET 2 -11.958 -21.427 -4.125
16 HE2 MET 2 HE2 MET 2 -11.131 -21.836 -5.628
17 HE3 MET 2 HE3 MET 2 -12.892 -21.749 -5.588
18 HA PRO 3 HA PRO 3 -14.309 -12.541 -3.930
19 HB2 PRO 3 HB2 PRO 3 -14.234 -11.762 -1.373
20 HB3 PRO 3 HB3 PRO 3 -15.746 -12.378 -2.061
21 HG2 PRO 3 HG2 PRO 3 -13.796 -13.742 -0.229
22 HG3 PRO 3 HG3 PRO 3 -15.567 -13.849 -0.265
23 HD2 PRO 3 HD2 PRO 3 -13.727 -15.679 -1.461
24 HD3 PRO 3 HD3 PRO 3 -15.488 -15.647 -1.692
25 H VAL 4 H VAL 4 -12.620 -10.990 -2.535
26 HA VAL 4 HA VAL 4 -9.958 -12.320 -2.488
27 HB VAL 4 HB VAL 4 -10.147 -10.459 -4.107
28 HG11 VAL 4 HG11 VAL 4 -10.482 -8.107 -3.374
29 HG12 VAL 4 HG12 VAL 4 -10.786 -8.664 -1.727
30 HG13 VAL 4 HG13 VAL 4 -11.895 -9.110 -3.025
31 HG21 VAL 4 HG21 VAL 4 -8.172 -9.120 -3.418
32 HG22 VAL 4 HG22 VAL 4 -7.937 -10.838 -3.093
33 HG23 VAL 4 HG23 VAL 4 -8.326 -9.738 -1.770
34 H HIS 5 H HIS 5 -8.511 -11.847 -0.690
35 HA HIS 5 HA HIS 5 -9.650 -10.487 1.663
36 HB2 HIS 5 HB2 HIS 5 -9.893 -13.068 1.781
37 HB3 HIS 5 HB3 HIS 5 -8.143 -13.116 1.962
38 HD1 HIS 5 HD1 HIS 5 -11.269 -11.943 3.730
39 HD2 HIS 5 HD2 HIS 5 -7.225 -12.465 4.524
40 HE1 HIS 5 HE1 HIS 5 -11.030 -11.641 6.205
41 HE2 HIS 5 HE2 HIS 5 -8.556 -11.750 6.618
42 H ILE 6 H ILE 6 -8.043 -9.553 3.110
43 HA ILE 6 HA ILE 6 -5.394 -9.057 1.901
44 HB ILE 6 HB ILE 6 -6.633 -7.806 4.404
45 HG12 ILE 6 HG12 ILE 6 -7.895 -7.168 2.364
46 HG13 ILE 6 HG13 ILE 6 -7.062 -5.789 3.061
47 HG21 ILE 6 HG21 ILE 6 -4.119 -6.977 2.893
48 HG22 ILE 6 HG22 ILE 6 -4.182 -7.706 4.498
49 HG23 ILE 6 HG23 ILE 6 -4.843 -6.092 4.241
50 HD11 ILE 6 HD11 ILE 6 -5.331 -5.973 1.329
51 HD12 ILE 6 HD12 ILE 6 -6.944 -5.756 0.649
52 HD13 ILE 6 HD13 ILE 6 -6.191 -7.349 0.630
53 H VAL 7 H VAL 7 -3.580 -10.133 2.595
54 HA VAL 7 HA VAL 7 -3.608 -11.583 5.181
55 HB VAL 7 HB VAL 7 -1.431 -12.607 4.397
56 HG11 VAL 7 HG11 VAL 7 -3.861 -13.078 2.642
57 HG12 VAL 7 HG12 VAL 7 -3.534 -13.822 4.207
58 HG13 VAL 7 HG13 VAL 7 -2.498 -14.185 2.827
59 HG21 VAL 7 HG21 VAL 7 -2.097 -11.277 1.729
60 HG22 VAL 7 HG22 VAL 7 -0.819 -12.467 1.995
61 HG23 VAL 7 HG23 VAL 7 -0.723 -10.885 2.769
62 H ASP 8 H ASP 8 -2.080 -8.853 3.593
63 HA ASP 8 HA ASP 8 -1.023 -7.882 6.097
64 HB2 ASP 8 HB2 ASP 8 0.787 -9.426 5.378
65 HB3 ASP 8 HB3 ASP 8 0.914 -8.571 3.840
66 HA PRO 9 HA PRO 9 -0.679 -6.187 7.031
67 HB2 PRO 9 HB2 PRO 9 -1.372 -3.720 7.856
68 HB3 PRO 9 HB3 PRO 9 0.178 -4.020 7.056
69 HG2 PRO 9 HG2 PRO 9 -2.361 -2.873 5.913
70 HG3 PRO 9 HG3 PRO 9 -0.682 -2.339 5.677
71 HD2 PRO 9 HD2 PRO 9 -2.084 -3.955 3.892
72 HD3 PRO 9 HD3 PRO 9 -0.311 -3.882 3.991
73 H ARG 10 H ARG 10 -2.140 -7.234 8.199
74 HA ARG 10 HA ARG 10 -4.979 -7.184 7.867
75 HB2 ARG 10 HB2 ARG 10 -3.379 -8.171 10.272
76 HB3 ARG 10 HB3 ARG 10 -5.032 -8.628 9.848
77 HG2 ARG 10 HG2 ARG 10 -4.243 -9.794 7.854
78 HG3 ARG 10 HG3 ARG 10 -2.592 -9.235 8.144
79 HD2 ARG 10 HD2 ARG 10 -2.599 -10.508 10.300
80 HD3 ARG 10 HD3 ARG 10 -4.195 -11.143 9.880
81 HE ARG 10 HE ARG 10 -2.120 -11.604 7.905
82 HH11 ARG 10 HH11 ARG 10 -3.785 -12.921 10.644
83 HH12 ARG 10 HH12 ARG 10 -3.255 -14.532 10.317
84 HH21 ARG 10 HH21 ARG 10 -1.445 -13.663 7.529
85 HH22 ARG 10 HH22 ARG 10 -1.946 -14.943 8.574
86 H GLU 11 H GLU 11 -2.704 -5.681 10.069
87 HA GLU 11 HA GLU 11 -4.561 -4.385 11.825
88 HB2 GLU 11 HB2 GLU 11 -2.529 -3.233 12.706
89 HB3 GLU 11 HB3 GLU 11 -2.285 -4.973 12.568
90 HG2 GLU 11 HG2 GLU 11 -0.996 -4.665 10.506
91 HG3 GLU 11 HG3 GLU 11 -1.295 -2.932 10.544
92 H HIS 12 H HIS 12 -4.527 -1.985 12.142
93 HA HIS 12 HA HIS 12 -4.765 -0.484 9.608
94 HB2 HIS 12 HB2 HIS 12 -5.612 0.362 12.423
95 HB3 HIS 12 HB3 HIS 12 -6.095 1.107 10.901
96 HD1 HIS 12 HD1 HIS 12 -7.946 -0.086 9.531
97 HD2 HIS 12 HD2 HIS 12 -7.038 -1.960 13.124
98 HE1 HIS 12 HE1 HIS 12 -9.724 -1.823 9.849
99 HE2 HIS 12 HE2 HIS 12 -9.267 -2.798 12.122
100 H VAL 13 H VAL 13 -2.818 0.392 9.026
101 HA VAL 13 HA VAL 13 -0.714 0.705 11.023
102 HB VAL 13 HB VAL 13 -0.531 0.987 7.988
103 HG11 VAL 13 HG11 VAL 13 1.674 0.571 10.045
104 HG12 VAL 13 HG12 VAL 13 1.352 2.065 9.165
105 HG13 VAL 13 HG13 VAL 13 1.893 0.630 8.293
106 HG21 VAL 13 HG21 VAL 13 0.327 -1.330 7.975
107 HG22 VAL 13 HG22 VAL 13 -1.319 -1.266 8.607
108 HG23 VAL 13 HG23 VAL 13 0.043 -1.454 9.715
109 H PHE 14 H PHE 14 -0.132 2.589 11.879
110 HA PHE 14 HA PHE 14 -0.691 5.167 10.521
111 HB2 PHE 14 HB2 PHE 14 -0.026 4.538 13.441
112 HB3 PHE 14 HB3 PHE 14 -0.210 6.165 12.797
113 HD1 PHE 14 HD1 PHE 14 -2.071 2.962 13.362
114 HD2 PHE 14 HD2 PHE 14 -2.375 7.172 12.666
115 HE1 PHE 14 HE1 PHE 14 -4.490 2.868 13.821
116 HE2 PHE 14 HE2 PHE 14 -4.792 7.067 13.126
117 HZ PHE 14 HZ PHE 14 -5.852 4.921 13.701
118 H VAL 15 H VAL 15 1.011 5.856 9.341
119 HA VAL 15 HA VAL 15 3.796 5.151 10.099
120 HB VAL 15 HB VAL 15 2.664 5.976 7.377
121 HG11 VAL 15 HG11 VAL 15 5.496 5.098 8.061
122 HG12 VAL 15 HG12 VAL 15 5.001 6.723 7.588
123 HG13 VAL 15 HG13 VAL 15 4.879 5.395 6.433
124 HG21 VAL 15 HG21 VAL 15 3.118 3.639 6.690
125 HG22 VAL 15 HG22 VAL 15 1.948 3.715 8.009
126 HG23 VAL 15 HG23 VAL 15 3.620 3.255 8.338
127 H HIS 16 H HIS 16 5.130 6.817 10.752
128 HA HIS 16 HA HIS 16 4.352 9.609 10.335
129 HB2 HIS 16 HB2 HIS 16 5.305 9.078 12.517
130 HB3 HIS 16 HB3 HIS 16 6.739 8.379 11.775
131 HD1 HIS 16 HD1 HIS 16 8.642 9.947 11.243
132 HD2 HIS 16 HD2 HIS 16 5.157 11.984 12.240
133 HE1 HIS 16 HE1 HIS 16 9.301 12.354 11.414
134 HE2 HIS 16 HE2 HIS 16 7.190 13.572 12.004
135 H ALA 17 H ALA 17 5.092 10.822 8.689
136 HA ALA 17 HA ALA 17 7.454 9.951 7.108
137 HB1 ALA 17 HB1 ALA 17 5.038 11.526 6.158
138 HB2 ALA 17 HB2 ALA 17 5.365 9.828 5.822
139 HB3 ALA 17 HB3 ALA 17 6.432 11.072 5.171
140 H ILE 18 H ILE 18 8.957 11.477 6.531
141 HA ILE 18 HA ILE 18 8.804 14.189 7.718
142 HB ILE 18 HB ILE 18 11.232 12.606 6.730
143 HG12 ILE 18 HG12 ILE 18 10.435 13.303 9.600
144 HG13 ILE 18 HG13 ILE 18 10.253 11.718 8.859
145 HG21 ILE 18 HG21 ILE 18 11.603 15.012 6.403
146 HG22 ILE 18 HG22 ILE 18 12.634 14.406 7.698
147 HG23 ILE 18 HG23 ILE 18 11.181 15.328 8.088
148 HD11 ILE 18 HD11 ILE 18 12.179 11.797 10.325
149 HD12 ILE 18 HD12 ILE 18 12.869 13.128 9.397
150 HD13 ILE 18 HD13 ILE 18 12.688 11.535 8.657
151 H THR 19 H THR 19 9.154 16.002 6.357
152 HA THR 19 HA THR 19 8.327 15.879 3.655
153 HB THR 19 HB THR 19 9.050 18.303 3.542
154 HG1 THR 19 HG1 THR 19 10.828 17.940 5.149
155 HG21 THR 19 HG21 THR 19 7.450 19.161 5.211
156 HG22 THR 19 HG22 THR 19 7.439 17.595 6.021
157 HG23 THR 19 HG23 THR 19 6.793 17.746 4.384
158 H SER 20 H SER 20 9.431 15.768 1.764
159 HA SER 20 HA SER 20 11.008 15.325 0.225
160 HB2 SER 20 HB2 SER 20 12.861 16.829 2.117
161 HB3 SER 20 HB3 SER 20 13.311 16.320 0.488
162 HG SER 20 HG SER 20 12.238 17.941 -0.292
163 H GLU 21 H GLU 21 10.674 13.472 2.699
164 HA GLU 21 HA GLU 21 13.171 11.886 2.404
165 HB2 GLU 21 HB2 GLU 21 12.061 12.774 4.730
166 HB3 GLU 21 HB3 GLU 21 11.191 11.257 4.591
167 HG2 GLU 21 HG2 GLU 21 14.209 11.596 4.705
168 HG3 GLU 21 HG3 GLU 21 13.177 11.083 6.036
169 H CYS 22 H CYS 22 13.046 9.646 1.957
170 HA CYS 22 HA CYS 22 10.953 8.878 0.161
171 HB2 CYS 22 HB2 CYS 22 12.262 6.807 -0.154
172 HB3 CYS 22 HB3 CYS 22 13.305 8.223 -0.222
173 HG CYS 22 HG CYS 22 13.386 7.394 2.862
174 H VAL 23 H VAL 23 9.079 7.877 0.625
175 HA VAL 23 HA VAL 23 8.832 6.193 3.067
176 HB VAL 23 HB VAL 23 6.646 7.917 1.803
177 HG11 VAL 23 HG11 VAL 23 5.248 7.268 3.750
178 HG12 VAL 23 HG12 VAL 23 6.521 6.176 4.298
179 HG13 VAL 23 HG13 VAL 23 5.691 5.865 2.774
180 HG21 VAL 23 HG21 VAL 23 8.315 9.281 3.003
181 HG22 VAL 23 HG22 VAL 23 8.118 8.279 4.443
182 HG23 VAL 23 HG23 VAL 23 6.777 9.275 3.872
183 H MET 24 H MET 24 8.451 4.112 2.655
184 HA MET 24 HA MET 24 7.196 3.233 0.110
185 HB2 MET 24 HB2 MET 24 9.069 1.801 2.043
186 HB3 MET 24 HB3 MET 24 8.224 0.967 0.746
187 HG2 MET 24 HG2 MET 24 9.406 2.218 -0.925
188 HG3 MET 24 HG3 MET 24 10.122 3.278 0.294
189 HE1 MET 24 HE1 MET 24 10.030 -0.406 -1.141
190 HE2 MET 24 HE2 MET 24 9.664 -0.646 0.568
191 HE3 MET 24 HE3 MET 24 11.200 -1.208 -0.092
192 H LEU 25 H LEU 25 5.018 3.244 0.589
193 HA LEU 25 HA LEU 25 3.965 1.832 2.936
194 HB2 LEU 25 HB2 LEU 25 2.479 3.120 0.611
195 HB3 LEU 25 HB3 LEU 25 1.767 2.565 2.124
196 HG LEU 25 HG LEU 25 3.696 4.903 1.801
197 HD11 LEU 25 HD11 LEU 25 1.784 6.307 2.417
198 HD12 LEU 25 HD12 LEU 25 0.738 4.886 2.473
199 HD13 LEU 25 HD13 LEU 25 1.461 5.394 0.944
200 HD21 LEU 25 HD21 LEU 25 4.082 3.798 3.957
201 HD22 LEU 25 HD22 LEU 25 2.361 3.879 4.338
202 HD23 LEU 25 HD23 LEU 25 3.305 5.361 4.196
203 H ALA 26 H ALA 26 2.915 -0.209 2.812
204 HA ALA 26 HA ALA 26 2.981 -1.629 0.203
205 HB1 ALA 26 HB1 ALA 26 4.112 -2.729 2.795
206 HB2 ALA 26 HB2 ALA 26 5.061 -2.141 1.430
207 HB3 ALA 26 HB3 ALA 26 4.045 -3.572 1.244
208 H CYS 27 H CYS 27 1.125 -2.643 -0.226
209 HA CYS 27 HA CYS 27 -0.379 -4.042 1.896
210 HB2 CYS 27 HB2 CYS 27 -1.620 -2.308 -0.281
211 HB3 CYS 27 HB3 CYS 27 -2.532 -3.389 0.775
212 HG CYS 27 HG CYS 27 -0.614 -1.332 2.503
213 H GLU 28 H GLU 28 -0.312 -6.123 1.385
214 HA GLU 28 HA GLU 28 -0.398 -7.017 -1.434
215 HB2 GLU 28 HB2 GLU 28 1.176 -8.216 0.891
216 HB3 GLU 28 HB3 GLU 28 1.084 -8.906 -0.730
217 HG2 GLU 28 HG2 GLU 28 2.236 -7.019 -1.680
218 HG3 GLU 28 HG3 GLU 28 2.143 -6.128 -0.169
219 H VAL 29 H VAL 29 -1.889 -8.462 -1.947
220 HA VAL 29 HA VAL 29 -3.928 -9.189 0.022
221 HB VAL 29 HB VAL 29 -5.290 -9.810 -2.009
222 HG11 VAL 29 HG11 VAL 29 -5.625 -7.509 -2.831
223 HG12 VAL 29 HG12 VAL 29 -4.101 -7.015 -2.091
224 HG13 VAL 29 HG13 VAL 29 -5.445 -7.542 -1.077
225 HG21 VAL 29 HG21 VAL 29 -4.446 -9.182 -4.265
226 HG22 VAL 29 HG22 VAL 29 -3.475 -10.459 -3.530
227 HG23 VAL 29 HG23 VAL 29 -2.868 -8.800 -3.557
228 H ASP 30 H ASP 30 -5.006 -11.301 -0.239
229 HA ASP 30 HA ASP 30 -3.200 -13.562 -0.180
230 HB2 ASP 30 HB2 ASP 30 -5.051 -13.334 1.469
231 HB3 ASP 30 HB3 ASP 30 -6.230 -13.395 0.162
232 H ARG 31 H ARG 31 -5.393 -12.106 -2.463
233 HA ARG 31 HA ARG 31 -5.328 -14.493 -4.229
234 HB2 ARG 31 HB2 ARG 31 -7.581 -13.991 -3.288
235 HB3 ARG 31 HB3 ARG 31 -7.515 -12.384 -4.003
236 HG2 ARG 31 HG2 ARG 31 -7.432 -13.391 -6.257
237 HG3 ARG 31 HG3 ARG 31 -7.489 -15.003 -5.537
238 HD2 ARG 31 HD2 ARG 31 -9.710 -14.499 -4.594
239 HD3 ARG 31 HD3 ARG 31 -9.642 -12.880 -5.307
240 HE ARG 31 HE ARG 31 -9.260 -14.753 -7.352
241 HH11 ARG 31 HH11 ARG 31 -11.785 -13.835 -5.196
242 HH12 ARG 31 HH12 ARG 31 -13.030 -14.213 -6.327
243 HH21 ARG 31 HH21 ARG 31 -10.883 -15.240 -8.786
244 HH22 ARG 31 HH22 ARG 31 -12.527 -15.010 -8.315
245 H GLU 32 H GLU 32 -4.003 -14.148 -5.874
246 HA GLU 32 HA GLU 32 -2.848 -11.719 -6.680
247 HB2 GLU 32 HB2 GLU 32 -1.894 -13.047 -8.545
248 HB3 GLU 32 HB3 GLU 32 -1.785 -13.903 -7.009
249 HG2 GLU 32 HG2 GLU 32 -3.860 -15.192 -7.671
250 HG3 GLU 32 HG3 GLU 32 -3.756 -14.435 -9.259
251 H ASP 33 H ASP 33 -5.800 -13.247 -7.769
252 HA ASP 33 HA ASP 33 -6.251 -12.027 -10.255
253 HB2 ASP 33 HB2 ASP 33 -8.330 -12.838 -8.173
254 HB3 ASP 33 HB3 ASP 33 -8.638 -12.572 -9.891
255 H ALA 34 H ALA 34 -6.795 -10.789 -6.990
256 HA ALA 34 HA ALA 34 -7.807 -8.218 -8.077
257 HB1 ALA 34 HB1 ALA 34 -9.295 -8.033 -6.126
258 HB2 ALA 34 HB2 ALA 34 -8.747 -9.608 -5.541
259 HB3 ALA 34 HB3 ALA 34 -9.654 -9.494 -7.050
260 HA PRO 35 HA PRO 35 -4.110 -7.052 -5.484
261 HB2 PRO 35 HB2 PRO 35 -3.479 -5.164 -7.660
262 HB3 PRO 35 HB3 PRO 35 -2.502 -6.498 -7.041
263 HG2 PRO 35 HG2 PRO 35 -3.642 -6.535 -9.521
264 HG3 PRO 35 HG3 PRO 35 -3.362 -8.012 -8.574
265 HD2 PRO 35 HD2 PRO 35 -5.917 -6.422 -8.896
266 HD3 PRO 35 HD3 PRO 35 -5.668 -8.183 -8.975
267 H VAL 36 H VAL 36 -3.527 -4.723 -4.743
268 HA VAL 36 HA VAL 36 -6.053 -3.501 -3.971
269 HB VAL 36 HB VAL 36 -4.989 -2.442 -2.197
270 HG11 VAL 36 HG11 VAL 36 -4.753 -4.857 -1.910
271 HG12 VAL 36 HG12 VAL 36 -3.385 -4.025 -1.169
272 HG13 VAL 36 HG13 VAL 36 -3.190 -4.826 -2.733
273 HG21 VAL 36 HG21 VAL 36 -3.377 -1.046 -3.360
274 HG22 VAL 36 HG22 VAL 36 -2.359 -2.436 -3.712
275 HG23 VAL 36 HG23 VAL 36 -2.546 -1.888 -2.047
276 H ARG 37 H ARG 37 -6.642 -1.373 -4.227
277 HA ARG 37 HA ARG 37 -5.343 0.241 -6.346
278 HB2 ARG 37 HB2 ARG 37 -8.169 0.500 -5.210
279 HB3 ARG 37 HB3 ARG 37 -7.521 1.340 -6.620
280 HG2 ARG 37 HG2 ARG 37 -7.494 -0.686 -7.911
281 HG3 ARG 37 HG3 ARG 37 -7.820 -1.674 -6.483
282 HD2 ARG 37 HD2 ARG 37 -10.057 -0.520 -6.284
283 HD3 ARG 37 HD3 ARG 37 -9.728 0.270 -7.836
284 HE ARG 37 HE ARG 37 -9.372 -2.428 -8.274
285 HH11 ARG 37 HH11 ARG 37 -12.052 -0.477 -7.250
286 HH12 ARG 37 HH12 ARG 37 -13.219 -1.546 -7.938
287 HH21 ARG 37 HH21 ARG 37 -10.876 -3.755 -9.133
288 HH22 ARG 37 HH22 ARG 37 -12.557 -3.379 -8.989
289 H TRP 38 H TRP 38 -4.215 1.980 -5.564
290 HA TRP 38 HA TRP 38 -4.431 2.748 -2.753
291 HB2 TRP 38 HB2 TRP 38 -2.553 3.635 -4.993
292 HB3 TRP 38 HB3 TRP 38 -2.491 4.301 -3.365
293 HD1 TRP 38 HD1 TRP 38 -1.617 1.105 -5.324
294 HE1 TRP 38 HE1 TRP 38 -0.127 -0.375 -3.835
295 HE3 TRP 38 HE3 TRP 38 -1.946 3.746 -0.952
296 HZ2 TRP 38 HZ2 TRP 38 0.774 -0.435 -1.158
297 HZ3 TRP 38 HZ3 TRP 38 -0.753 2.918 1.030
298 HH2 TRP 38 HH2 TRP 38 0.590 0.865 0.927
299 H TYR 39 H TYR 39 -5.451 4.558 -2.008
300 HA TYR 39 HA TYR 39 -6.281 6.706 -3.889
301 HB2 TYR 39 HB2 TYR 39 -7.954 5.546 -1.613
302 HB3 TYR 39 HB3 TYR 39 -8.390 6.973 -2.545
303 HD1 TYR 39 HD2 TYR 39 -9.202 6.745 -4.878
304 HD2 TYR 39 HD1 TYR 39 -8.188 3.294 -2.575
305 HE1 TYR 39 HE2 TYR 39 -10.342 5.312 -6.518
306 HE2 TYR 39 HE1 TYR 39 -9.324 1.869 -4.219
307 HH TYR 39 HH TYR 39 -10.138 2.877 -7.261
308 H LYS 40 H LYS 40 -5.596 8.681 -3.254
309 HA LYS 40 HA LYS 40 -4.604 9.119 -0.503
310 HB2 LYS 40 HB2 LYS 40 -3.060 9.340 -2.567
311 HB3 LYS 40 HB3 LYS 40 -3.962 10.784 -2.985
312 HG2 LYS 40 HG2 LYS 40 -2.470 10.412 -0.366
313 HG3 LYS 40 HG3 LYS 40 -1.744 11.134 -1.804
314 HD2 LYS 40 HD2 LYS 40 -3.375 12.966 -1.731
315 HD3 LYS 40 HD3 LYS 40 -4.197 12.212 -0.365
316 HE2 LYS 40 HE2 LYS 40 -2.036 12.444 0.932
317 HE3 LYS 40 HE3 LYS 40 -1.427 13.424 -0.406
318 HZ1 LYS 40 HZ1 LYS 40 -3.816 14.004 1.252
319 HZ2 LYS 40 HZ2 LYS 40 -3.297 14.926 -0.071
320 HZ3 LYS 40 HZ3 LYS 40 -2.328 14.812 1.307
321 H ASP 41 H ASP 41 -6.275 9.959 0.678
322 HA ASP 41 HA ASP 41 -7.995 11.230 1.422
323 HB2 ASP 41 HB2 ASP 41 -6.440 13.283 -0.206
324 HB3 ASP 41 HB3 ASP 41 -7.824 13.739 0.787
325 H GLY 42 H GLY 42 -8.458 9.809 -1.189
326 HA2 GLY 42 HA2 GLY 42 -10.889 9.730 -1.873
327 HA3 GLY 42 HA3 GLY 42 -10.697 11.420 -2.315
328 H GLN 43 H GLN 43 -8.201 11.347 -3.571
329 HA GLN 43 HA GLN 43 -9.104 10.523 -6.204
330 HB2 GLN 43 HB2 GLN 43 -6.457 11.791 -5.345
331 HB3 GLN 43 HB3 GLN 43 -7.016 11.618 -7.010
332 HG2 GLN 43 HG2 GLN 43 -8.952 13.096 -6.456
333 HG3 GLN 43 HG3 GLN 43 -8.272 13.338 -4.846
334 HE21 GLN 43 HE21 GLN 43 -8.808 15.299 -6.951
335 HE22 GLN 43 HE22 GLN 43 -7.303 16.080 -7.271
336 H GLU 44 H GLU 44 -8.431 8.750 -7.395
337 HA GLU 44 HA GLU 44 -6.946 6.658 -6.166
338 HB2 GLU 44 HB2 GLU 44 -8.723 6.276 -7.892
339 HB3 GLU 44 HB3 GLU 44 -7.643 6.927 -9.123
340 HG2 GLU 44 HG2 GLU 44 -6.068 5.091 -8.762
341 HG3 GLU 44 HG3 GLU 44 -7.029 4.485 -7.418
342 H VAL 45 H VAL 45 -4.841 6.341 -6.096
343 HA VAL 45 HA VAL 45 -2.975 8.262 -7.114
344 HB VAL 45 HB VAL 45 -2.443 5.662 -5.613
345 HG11 VAL 45 HG11 VAL 45 -0.428 6.443 -6.761
346 HG12 VAL 45 HG12 VAL 45 -0.258 6.651 -5.020
347 HG13 VAL 45 HG13 VAL 45 -0.609 8.045 -6.042
348 HG21 VAL 45 HG21 VAL 45 -2.726 8.475 -4.494
349 HG22 VAL 45 HG22 VAL 45 -2.275 7.037 -3.572
350 HG23 VAL 45 HG23 VAL 45 -3.882 7.156 -4.293
351 H GLU 46 H GLU 46 -1.811 8.134 -8.919
352 HA GLU 46 HA GLU 46 -1.128 5.569 -10.183
353 HB2 GLU 46 HB2 GLU 46 -3.216 6.674 -11.244
354 HB3 GLU 46 HB3 GLU 46 -2.144 7.954 -11.798
355 HG2 GLU 46 HG2 GLU 46 -0.861 6.282 -13.106
356 HG3 GLU 46 HG3 GLU 46 -1.961 5.020 -12.551
357 H GLU 47 H GLU 47 0.647 6.003 -11.923
358 HA GLU 47 HA GLU 47 2.781 7.507 -10.677
359 HB2 GLU 47 HB2 GLU 47 2.775 5.973 -13.304
360 HB3 GLU 47 HB3 GLU 47 4.203 6.521 -12.424
361 HG2 GLU 47 HG2 GLU 47 3.666 5.002 -10.573
362 HG3 GLU 47 HG3 GLU 47 2.191 4.494 -11.395
363 H SER 48 H SER 48 1.671 9.596 -10.905
364 HA SER 48 HA SER 48 1.274 10.867 -13.431
365 HB2 SER 48 HB2 SER 48 1.495 12.068 -10.639
366 HB3 SER 48 HB3 SER 48 0.919 12.929 -12.070
367 HG SER 48 HG SER 48 -0.533 11.525 -10.427
368 H ASP 49 H ASP 49 3.800 11.169 -10.946
369 HA ASP 49 HA ASP 49 5.834 11.910 -12.841
370 HB2 ASP 49 HB2 ASP 49 4.574 14.077 -12.533
371 HB3 ASP 49 HB3 ASP 49 4.934 14.015 -10.812
372 H PHE 50 H PHE 50 5.246 12.627 -9.396
373 HA PHE 50 HA PHE 50 7.895 11.759 -8.616
374 HB2 PHE 50 HB2 PHE 50 5.549 12.714 -6.916
375 HB3 PHE 50 HB3 PHE 50 7.194 12.483 -6.338
376 HD1 PHE 50 HD1 PHE 50 9.064 13.884 -7.464
377 HD2 PHE 50 HD2 PHE 50 4.907 14.830 -7.805
378 HE1 PHE 50 HE1 PHE 50 9.636 16.201 -8.069
379 HE2 PHE 50 HE2 PHE 50 5.490 17.145 -8.410
380 HZ PHE 50 HZ PHE 50 7.852 17.832 -8.538
381 H VAL 51 H VAL 51 4.577 10.634 -8.029
382 HA VAL 51 HA VAL 51 5.246 8.458 -6.322
383 HB VAL 51 HB VAL 51 2.694 8.714 -7.981
384 HG11 VAL 51 HG11 VAL 51 3.248 7.286 -5.348
385 HG12 VAL 51 HG12 VAL 51 2.994 6.521 -6.918
386 HG13 VAL 51 HG13 VAL 51 1.677 7.393 -6.142
387 HG21 VAL 51 HG21 VAL 51 3.230 9.953 -5.247
388 HG22 VAL 51 HG22 VAL 51 1.678 9.945 -6.084
389 HG23 VAL 51 HG23 VAL 51 3.042 10.836 -6.763
390 H VAL 52 H VAL 52 6.009 6.460 -6.862
391 HA VAL 52 HA VAL 52 5.377 5.326 -9.535
392 HB VAL 52 HB VAL 52 7.462 3.968 -9.408
393 HG11 VAL 52 HG11 VAL 52 9.060 5.777 -9.961
394 HG12 VAL 52 HG12 VAL 52 7.965 6.966 -9.252
395 HG13 VAL 52 HG13 VAL 52 7.477 6.066 -10.689
396 HG21 VAL 52 HG21 VAL 52 7.828 3.896 -6.977
397 HG22 VAL 52 HG22 VAL 52 8.150 5.631 -6.948
398 HG23 VAL 52 HG23 VAL 52 9.262 4.542 -7.781
399 H LEU 53 H LEU 53 4.486 3.316 -9.595
400 HA LEU 53 HA LEU 53 3.691 2.088 -7.007
401 HB2 LEU 53 HB2 LEU 53 2.247 2.013 -9.692
402 HB3 LEU 53 HB3 LEU 53 1.700 1.220 -8.221
403 HG LEU 53 HG LEU 53 1.929 4.235 -8.619
404 HD11 LEU 53 HD11 LEU 53 0.092 3.290 -9.926
405 HD12 LEU 53 HD12 LEU 53 -0.527 4.248 -8.584
406 HD13 LEU 53 HD13 LEU 53 -0.550 2.484 -8.491
407 HD21 LEU 53 HD21 LEU 53 2.348 3.636 -6.277
408 HD22 LEU 53 HD22 LEU 53 0.862 2.685 -6.226
409 HD23 LEU 53 HD23 LEU 53 0.785 4.435 -6.437
410 H GLU 54 H GLU 54 4.661 0.197 -6.600
411 HA GLU 54 HA GLU 54 5.735 -1.501 -8.743
412 HB2 GLU 54 HB2 GLU 54 5.982 -1.743 -5.706
413 HB3 GLU 54 HB3 GLU 54 6.801 -2.773 -6.881
414 HG2 GLU 54 HG2 GLU 54 7.941 -0.676 -7.747
415 HG3 GLU 54 HG3 GLU 54 7.268 0.177 -6.358
416 H ASN 55 H ASN 55 4.552 -3.153 -9.499
417 HA ASN 55 HA ASN 55 2.448 -4.426 -7.863
418 HB2 ASN 55 HB2 ASN 55 0.885 -4.253 -9.853
419 HB3 ASN 55 HB3 ASN 55 1.250 -2.719 -9.078
420 HD21 ASN 55 HD21 ASN 55 2.830 -1.327 -10.131
421 HD22 ASN 55 HD22 ASN 55 2.996 -1.385 -11.847
422 H GLU 56 H GLU 56 2.627 -6.580 -7.943
423 HA GLU 56 HA GLU 56 3.021 -8.025 -10.417
424 HB2 GLU 56 HB2 GLU 56 5.383 -7.573 -9.765
425 HB3 GLU 56 HB3 GLU 56 5.109 -8.344 -8.205
426 HG2 GLU 56 HG2 GLU 56 4.675 -10.489 -9.336
427 HG3 GLU 56 HG3 GLU 56 4.907 -9.723 -10.906
428 H GLY 57 H GLY 57 1.202 -9.191 -10.184
429 HA2 GLY 57 HA2 GLY 57 -0.314 -10.734 -9.463
430 HA3 GLY 57 HA3 GLY 57 0.979 -11.427 -8.505
431 HA PRO 58 HA PRO 58 -1.651 -10.015 -5.052
432 HB2 PRO 58 HB2 PRO 58 0.393 -11.187 -3.258
433 HB3 PRO 58 HB3 PRO 58 -1.293 -11.662 -3.492
434 HG2 PRO 58 HG2 PRO 58 0.761 -13.206 -4.355
435 HG3 PRO 58 HG3 PRO 58 -0.787 -13.125 -5.225
436 HD2 PRO 58 HD2 PRO 58 1.801 -11.682 -5.826
437 HD3 PRO 58 HD3 PRO 58 0.709 -12.545 -6.938
438 H HIS 59 H HIS 59 1.674 -9.205 -5.623
439 HA HIS 59 HA HIS 59 2.069 -7.608 -3.237
440 HB2 HIS 59 HB2 HIS 59 3.804 -8.211 -5.648
441 HB3 HIS 59 HB3 HIS 59 4.312 -7.109 -4.376
442 HD1 HIS 59 HD1 HIS 59 5.592 -8.137 -2.546
443 HD2 HIS 59 HD2 HIS 59 3.215 -10.933 -4.495
444 HE1 HIS 59 HE1 HIS 59 6.191 -10.347 -1.533
445 HE2 HIS 59 HE2 HIS 59 4.622 -11.995 -2.601
446 H ARG 60 H ARG 60 1.814 -5.486 -3.004
447 HA ARG 60 HA ARG 60 1.882 -3.585 -5.249
448 HB2 ARG 60 HB2 ARG 60 -0.440 -3.932 -3.318
449 HB3 ARG 60 HB3 ARG 60 -0.161 -2.404 -4.140
450 HG2 ARG 60 HG2 ARG 60 -0.594 -5.030 -5.587
451 HG3 ARG 60 HG3 ARG 60 -1.896 -3.902 -5.178
452 HD2 ARG 60 HD2 ARG 60 -0.828 -2.151 -6.525
453 HD3 ARG 60 HD3 ARG 60 0.524 -3.234 -6.886
454 HE ARG 60 HE ARG 60 -1.215 -4.707 -7.949
455 HH11 ARG 60 HH11 ARG 60 -1.745 -1.295 -7.803
456 HH12 ARG 60 HH12 ARG 60 -2.621 -1.265 -9.290
457 HH21 ARG 60 HH21 ARG 60 -2.298 -4.638 -9.850
458 HH22 ARG 60 HH22 ARG 60 -2.916 -3.134 -10.441
459 H ARG 61 H ARG 61 3.359 -2.068 -4.667
460 HA ARG 61 HA ARG 61 3.397 -1.001 -1.910
461 HB2 ARG 61 HB2 ARG 61 5.869 -1.739 -3.547
462 HB3 ARG 61 HB3 ARG 61 5.905 -0.850 -2.021
463 HG2 ARG 61 HG2 ARG 61 4.906 -2.790 -0.876
464 HG3 ARG 61 HG3 ARG 61 4.878 -3.679 -2.397
465 HD2 ARG 61 HD2 ARG 61 7.391 -3.462 -2.467
466 HD3 ARG 61 HD3 ARG 61 7.319 -2.770 -0.837
467 HE ARG 61 HE ARG 61 5.898 -5.148 -0.733
468 HH11 ARG 61 HH11 ARG 61 9.196 -4.281 -1.345
469 HH12 ARG 61 HH12 ARG 61 9.777 -5.837 -0.867
470 HH21 ARG 61 HH21 ARG 61 6.657 -7.098 -0.177
471 HH22 ARG 61 HH22 ARG 61 8.360 -7.410 -0.219
472 H LEU 62 H LEU 62 2.967 1.096 -1.967
473 HA LEU 62 HA LEU 62 3.529 2.808 -4.248
474 HB2 LEU 62 HB2 LEU 62 1.467 2.948 -2.751
475 HB3 LEU 62 HB3 LEU 62 2.494 3.592 -1.488
476 HG LEU 62 HG LEU 62 2.205 4.973 -4.192
477 HD11 LEU 62 HD11 LEU 62 0.494 5.477 -1.734
478 HD12 LEU 62 HD12 LEU 62 -0.043 4.751 -3.250
479 HD13 LEU 62 HD13 LEU 62 0.486 6.429 -3.225
480 HD21 LEU 62 HD21 LEU 62 4.115 5.747 -2.858
481 HD22 LEU 62 HD22 LEU 62 3.058 6.067 -1.483
482 HD23 LEU 62 HD23 LEU 62 2.888 7.008 -2.968
483 H VAL 63 H VAL 63 5.663 3.242 -4.526
484 HA VAL 63 HA VAL 63 7.373 3.932 -2.218
485 HB VAL 63 HB VAL 63 8.137 3.316 -5.112
486 HG11 VAL 63 HG11 VAL 63 9.753 4.904 -4.140
487 HG12 VAL 63 HG12 VAL 63 10.496 3.318 -4.340
488 HG13 VAL 63 HG13 VAL 63 9.976 3.851 -2.739
489 HG21 VAL 63 HG21 VAL 63 8.491 1.653 -2.584
490 HG22 VAL 63 HG22 VAL 63 9.084 1.219 -4.190
491 HG23 VAL 63 HG23 VAL 63 7.349 1.329 -3.895
492 H LEU 64 H LEU 64 8.003 5.953 -1.861
493 HA LEU 64 HA LEU 64 7.584 8.057 -3.905
494 HB2 LEU 64 HB2 LEU 64 6.246 7.846 -1.450
495 HB3 LEU 64 HB3 LEU 64 7.539 8.957 -1.065
496 HG LEU 64 HG LEU 64 5.578 10.226 -1.657
497 HD11 LEU 64 HD11 LEU 64 6.356 11.643 -3.462
498 HD12 LEU 64 HD12 LEU 64 7.499 10.405 -3.987
499 HD13 LEU 64 HD13 LEU 64 7.702 11.187 -2.419
500 HD21 LEU 64 HD21 LEU 64 5.500 8.706 -4.276
501 HD22 LEU 64 HD22 LEU 64 4.435 10.036 -3.813
502 HD23 LEU 64 HD23 LEU 64 4.382 8.518 -2.922
503 HA PRO 65 HA PRO 65 12.112 8.477 -3.255
504 HB2 PRO 65 HB2 PRO 65 12.420 10.681 -4.930
505 HB3 PRO 65 HB3 PRO 65 12.407 9.001 -5.481
506 HG2 PRO 65 HG2 PRO 65 10.152 11.007 -5.443
507 HG3 PRO 65 HG3 PRO 65 10.628 9.886 -6.739
508 HD2 PRO 65 HD2 PRO 65 8.552 9.324 -5.135
509 HD3 PRO 65 HD3 PRO 65 9.656 8.033 -5.664
510 H ALA 66 H ALA 66 10.034 11.448 -3.311
511 HA ALA 66 HA ALA 66 11.197 12.303 -0.733
512 HB1 ALA 66 HB1 ALA 66 11.593 14.591 -1.561
513 HB2 ALA 66 HB2 ALA 66 11.092 14.103 -3.184
514 HB3 ALA 66 HB3 ALA 66 12.550 13.416 -2.466
515 H THR 67 H THR 67 9.251 11.901 0.298
516 HA THR 67 HA THR 67 6.676 12.546 -0.683
517 HB THR 67 HB THR 67 7.525 11.960 2.187
518 HG1 THR 67 HG1 THR 67 6.370 10.196 0.276
519 HG21 THR 67 HG21 THR 67 4.761 11.790 0.914
520 HG22 THR 67 HG22 THR 67 5.260 12.974 2.125
521 HG23 THR 67 HG23 THR 67 5.176 11.264 2.548
522 H GLN 68 H GLN 68 5.723 14.440 -0.838
523 HA GLN 68 HA GLN 68 6.692 16.846 0.539
524 HB2 GLN 68 HB2 GLN 68 4.551 16.555 -1.620
525 HB3 GLN 68 HB3 GLN 68 5.313 18.056 -1.104
526 HG2 GLN 68 HG2 GLN 68 7.424 17.390 -2.076
527 HG3 GLN 68 HG3 GLN 68 6.820 15.769 -2.417
528 HE21 GLN 68 HE21 GLN 68 5.333 15.482 -4.146
529 HE22 GLN 68 HE22 GLN 68 5.140 16.672 -5.380
530 HA PRO 69 HA PRO 69 3.458 17.108 3.656
531 HB2 PRO 69 HB2 PRO 69 2.430 19.707 3.320
532 HB3 PRO 69 HB3 PRO 69 3.896 19.295 4.216
533 HG2 PRO 69 HG2 PRO 69 3.618 20.245 1.365
534 HG3 PRO 69 HG3 PRO 69 4.785 20.752 2.607
535 HD2 PRO 69 HD2 PRO 69 5.528 19.046 0.700
536 HD3 PRO 69 HD3 PRO 69 6.076 18.791 2.375
537 H SER 70 H SER 70 2.322 18.345 0.479
538 HA SER 70 HA SER 70 -0.466 17.594 1.015
539 HB2 SER 70 HB2 SER 70 -0.017 19.737 -0.141
540 HB3 SER 70 HB3 SER 70 0.763 18.874 -1.464
541 HG SER 70 HG SER 70 -1.879 18.227 -0.719
542 H ASP 71 H ASP 71 2.307 16.216 -0.481
543 HA ASP 71 HA ASP 71 1.030 14.417 -2.335
544 HB2 ASP 71 HB2 ASP 71 3.301 15.082 -2.765
545 HB3 ASP 71 HB3 ASP 71 3.819 14.645 -1.146
546 H GLY 72 H GLY 72 2.332 14.096 0.955
547 HA2 GLY 72 HA2 GLY 72 1.282 11.369 1.274
548 HA3 GLY 72 HA3 GLY 72 2.285 12.250 2.417
549 H GLY 73 H GLY 73 -0.099 10.827 3.064
550 HA2 GLY 73 HA2 GLY 73 -1.572 12.517 4.713
551 HA3 GLY 73 HA3 GLY 73 -2.434 12.475 3.173
552 H GLU 74 H GLU 74 -4.235 11.196 3.659
553 HA GLU 74 HA GLU 74 -3.771 8.622 5.044
554 HB2 GLU 74 HB2 GLU 74 -6.353 10.137 4.513
555 HB3 GLU 74 HB3 GLU 74 -6.270 8.550 5.279
556 HG2 GLU 74 HG2 GLU 74 -4.781 9.601 7.055
557 HG3 GLU 74 HG3 GLU 74 -5.163 11.169 6.343
558 H PHE 75 H PHE 75 -3.532 6.876 3.865
559 HA PHE 75 HA PHE 75 -4.481 6.756 1.078
560 HB2 PHE 75 HB2 PHE 75 -2.222 5.259 2.473
561 HB3 PHE 75 HB3 PHE 75 -2.713 4.975 0.805
562 HD1 PHE 75 HD2 PHE 75 -1.268 7.538 3.104
563 HD2 PHE 75 HD1 PHE 75 -1.949 6.408 -0.963
564 HE1 PHE 75 HE2 PHE 75 0.245 9.325 2.351
565 HE2 PHE 75 HE1 PHE 75 -0.435 8.202 -1.705
566 HZ PHE 75 HZ PHE 75 0.664 9.661 -0.053
567 H GLN 76 H GLN 76 -6.021 5.362 0.540
568 HA GLN 76 HA GLN 76 -6.758 3.094 2.301
569 HB2 GLN 76 HB2 GLN 76 -8.466 4.713 0.357
570 HB3 GLN 76 HB3 GLN 76 -9.018 3.237 1.148
571 HG2 GLN 76 HG2 GLN 76 -8.698 4.338 3.360
572 HG3 GLN 76 HG3 GLN 76 -8.228 5.821 2.529
573 HE21 GLN 76 HE21 GLN 76 -10.869 3.626 3.181
574 HE22 GLN 76 HE22 GLN 76 -12.140 4.714 2.761
575 H CYS 77 H CYS 77 -6.307 1.133 1.505
576 HA CYS 77 HA CYS 77 -5.665 0.784 -1.360
577 HB2 CYS 77 HB2 CYS 77 -4.900 -0.989 0.993
578 HB3 CYS 77 HB3 CYS 77 -4.262 -1.069 -0.652
579 HG CYS 77 HG CYS 77 -3.037 0.509 1.854
580 H VAL 78 H VAL 78 -7.671 0.301 -2.249
581 HA VAL 78 HA VAL 78 -9.427 -1.674 -0.966
582 HB VAL 78 HB VAL 78 -9.964 0.063 -3.423
583 HG11 VAL 78 HG11 VAL 78 -11.893 -1.610 -1.758
584 HG12 VAL 78 HG12 VAL 78 -11.373 -1.953 -3.408
585 HG13 VAL 78 HG13 VAL 78 -12.352 -0.524 -3.074
586 HG21 VAL 78 HG21 VAL 78 -9.629 1.461 -1.412
587 HG22 VAL 78 HG22 VAL 78 -10.821 0.510 -0.524
588 HG23 VAL 78 HG23 VAL 78 -11.323 1.489 -1.904
589 H ALA 79 H ALA 79 -8.655 -3.693 -1.393
590 HA ALA 79 HA ALA 79 -7.662 -4.656 -3.893
591 HB1 ALA 79 HB1 ALA 79 -7.912 -6.895 -2.894
592 HB2 ALA 79 HB2 ALA 79 -8.865 -6.212 -1.571
593 HB3 ALA 79 HB3 ALA 79 -7.165 -5.775 -1.756
594 H GLY 80 H GLY 80 -10.839 -4.391 -2.486
595 HA2 GLY 80 HA2 GLY 80 -12.496 -4.193 -4.569
596 HA3 GLY 80 HA3 GLY 80 -12.223 -5.934 -4.559
597 H ASP 81 H ASP 81 -13.024 -7.192 -2.858
598 HA ASP 81 HA ASP 81 -15.209 -6.273 -1.267
599 HB2 ASP 81 HB2 ASP 81 -14.964 -8.624 -2.012
600 HB3 ASP 81 HB3 ASP 81 -13.506 -8.794 -1.042
601 H GLU 82 H GLU 82 -11.763 -6.446 -0.773
602 HA GLU 82 HA GLU 82 -11.950 -5.833 2.127
603 HB2 GLU 82 HB2 GLU 82 -9.912 -7.342 0.461
604 HB3 GLU 82 HB3 GLU 82 -9.553 -6.796 2.094
605 HG2 GLU 82 HG2 GLU 82 -12.039 -8.421 1.670
606 HG3 GLU 82 HG3 GLU 82 -10.493 -9.240 1.574
607 H CYS 83 H CYS 83 -10.258 -4.477 3.044
608 HA CYS 83 HA CYS 83 -8.832 -2.627 1.282
609 HB2 CYS 83 HB2 CYS 83 -10.948 -1.667 3.250
610 HB3 CYS 83 HB3 CYS 83 -9.821 -0.619 2.392
611 HG CYS 83 HG CYS 83 -11.134 -2.182 -0.016
612 H ALA 84 H ALA 84 -6.871 -2.166 2.120
613 HA ALA 84 HA ALA 84 -6.317 -2.436 5.016
614 HB1 ALA 84 HB1 ALA 84 -4.398 -2.149 2.670
615 HB2 ALA 84 HB2 ALA 84 -4.818 -3.658 3.483
616 HB3 ALA 84 HB3 ALA 84 -3.937 -2.404 4.358
617 H TYR 85 H TYR 85 -5.457 -0.642 6.213
618 HA TYR 85 HA TYR 85 -5.947 2.016 4.970
619 HB2 TYR 85 HB2 TYR 85 -6.572 1.126 7.817
620 HB3 TYR 85 HB3 TYR 85 -6.755 2.773 7.218
621 HD1 TYR 85 HD2 TYR 85 -8.518 3.296 5.500
622 HD2 TYR 85 HD1 TYR 85 -8.242 -0.586 7.280
623 HE1 TYR 85 HE2 TYR 85 -10.790 2.773 4.718
624 HE2 TYR 85 HE1 TYR 85 -10.513 -1.103 6.483
625 HH TYR 85 HH TYR 85 -12.570 0.160 5.861
626 H PHE 86 H PHE 86 -4.350 3.410 4.991
627 HA PHE 86 HA PHE 86 -2.171 3.289 7.000
628 HB2 PHE 86 HB2 PHE 86 -2.066 3.809 4.011
629 HB3 PHE 86 HB3 PHE 86 -0.851 4.535 5.058
630 HD1 PHE 86 HD1 PHE 86 -2.315 1.234 4.067
631 HD2 PHE 86 HD2 PHE 86 1.012 3.288 5.779
632 HE1 PHE 86 HE1 PHE 86 -1.007 -0.843 4.053
633 HE2 PHE 86 HE2 PHE 86 2.313 1.205 5.751
634 HZ PHE 86 HZ PHE 86 1.304 -0.866 4.888
635 H THR 87 H THR 87 -2.166 5.020 8.306
636 HA THR 87 HA THR 87 -3.170 7.640 7.337
637 HB THR 87 HB THR 87 -2.751 6.805 10.251
638 HG1 THR 87 HG1 THR 87 -5.217 6.834 10.078
639 HG21 THR 87 HG21 THR 87 -4.197 8.740 10.763
640 HG22 THR 87 HG22 THR 87 -4.320 9.120 9.045
641 HG23 THR 87 HG23 THR 87 -2.764 9.260 9.868
642 H VAL 88 H VAL 88 -1.395 8.639 6.472
643 HA VAL 88 HA VAL 88 1.253 8.300 7.712
644 HB VAL 88 HB VAL 88 0.523 9.475 4.993
645 HG11 VAL 88 HG11 VAL 88 2.935 9.311 4.458
646 HG12 VAL 88 HG12 VAL 88 3.268 8.814 6.119
647 HG13 VAL 88 HG13 VAL 88 2.635 10.428 5.793
648 HG21 VAL 88 HG21 VAL 88 1.662 6.738 5.691
649 HG22 VAL 88 HG22 VAL 88 1.389 7.355 4.059
650 HG23 VAL 88 HG23 VAL 88 0.019 7.067 5.131
651 H THR 89 H THR 89 1.539 9.692 9.317
652 HA THR 89 HA THR 89 0.511 12.413 9.357
653 HB THR 89 HB THR 89 2.211 10.949 11.435
654 HG1 THR 89 HG1 THR 89 0.457 9.878 11.888
655 HG21 THR 89 HG21 THR 89 0.410 13.391 11.728
656 HG22 THR 89 HG22 THR 89 2.177 13.403 11.780
657 HG23 THR 89 HG23 THR 89 1.259 12.577 13.040
658 H ILE 90 H ILE 90 1.720 13.824 8.102
659 HA ILE 90 HA ILE 90 4.669 13.797 8.204
660 HB ILE 90 HB ILE 90 2.821 15.599 6.560
661 HG12 ILE 90 HG12 ILE 90 4.270 13.033 5.738
662 HG13 ILE 90 HG13 ILE 90 2.529 13.229 5.904
663 HG21 ILE 90 HG21 ILE 90 5.822 15.116 6.305
664 HG22 ILE 90 HG22 ILE 90 5.053 16.599 6.875
665 HG23 ILE 90 HG23 ILE 90 4.846 16.088 5.199
666 HD11 ILE 90 HD11 ILE 90 3.216 13.227 3.589
667 HD12 ILE 90 HD12 ILE 90 4.282 14.600 3.868
668 HD13 ILE 90 HD13 ILE 90 2.532 14.792 4.021
Start of MODEL 11
1 H HIS 1 H1 HIS 1 -16.960 -12.806 3.842
2 HA HIS 1 HA HIS 1 -14.756 -13.396 4.527
3 HB2 HIS 1 HB2 HIS 1 -15.596 -16.248 3.848
4 HB3 HIS 1 HB3 HIS 1 -13.946 -15.754 4.226
5 HD1 HIS 1 HD1 HIS 1 -15.871 -17.802 5.852
6 HD2 HIS 1 HD2 HIS 1 -14.826 -13.930 6.944
7 HE1 HIS 1 HE1 HIS 1 -16.175 -17.703 8.339
8 HE2 HIS 1 HE2 HIS 1 -15.741 -15.301 8.936
9 H MET 2 H MET 2 -13.554 -12.557 2.943
10 HA MET 2 HA MET 2 -14.480 -12.576 0.202
11 HB2 MET 2 HB2 MET 2 -12.002 -11.240 1.369
12 HB3 MET 2 HB3 MET 2 -12.733 -10.890 -0.194
13 HG2 MET 2 HG2 MET 2 -13.320 -9.126 1.294
14 HG3 MET 2 HG3 MET 2 -14.783 -10.091 1.060
15 HE1 MET 2 HE1 MET 2 -15.144 -8.956 4.801
16 HE2 MET 2 HE2 MET 2 -15.921 -9.017 3.217
17 HE3 MET 2 HE3 MET 2 -14.497 -8.004 3.466
18 HA PRO 3 HA PRO 3 -11.609 -15.925 -1.143
19 HB2 PRO 3 HB2 PRO 3 -12.358 -14.923 -3.864
20 HB3 PRO 3 HB3 PRO 3 -12.457 -16.561 -3.207
21 HG2 PRO 3 HG2 PRO 3 -14.675 -15.104 -3.577
22 HG3 PRO 3 HG3 PRO 3 -14.513 -16.158 -2.154
23 HD2 PRO 3 HD2 PRO 3 -14.154 -13.164 -2.351
24 HD3 PRO 3 HD3 PRO 3 -14.992 -14.118 -1.103
25 H VAL 4 H VAL 4 -11.656 -12.595 -2.193
26 HA VAL 4 HA VAL 4 -8.701 -12.561 -2.287
27 HB VAL 4 HB VAL 4 -9.544 -11.916 -4.460
28 HG11 VAL 4 HG11 VAL 4 -11.244 -9.775 -3.123
29 HG12 VAL 4 HG12 VAL 4 -11.841 -11.235 -3.914
30 HG13 VAL 4 HG13 VAL 4 -11.032 -9.989 -4.864
31 HG21 VAL 4 HG21 VAL 4 -7.576 -10.709 -3.660
32 HG22 VAL 4 HG22 VAL 4 -8.599 -9.466 -2.936
33 HG23 VAL 4 HG23 VAL 4 -8.558 -9.663 -4.688
34 H HIS 5 H HIS 5 -8.527 -12.381 -0.040
35 HA HIS 5 HA HIS 5 -9.508 -9.876 1.212
36 HB2 HIS 5 HB2 HIS 5 -10.183 -12.121 2.243
37 HB3 HIS 5 HB3 HIS 5 -8.493 -12.365 2.667
38 HD1 HIS 5 HD1 HIS 5 -7.548 -10.921 4.619
39 HD2 HIS 5 HD2 HIS 5 -11.555 -10.241 3.785
40 HE1 HIS 5 HE1 HIS 5 -8.405 -9.540 6.524
41 HE2 HIS 5 HE2 HIS 5 -10.802 -9.062 5.949
42 H ILE 6 H ILE 6 -8.046 -8.541 2.356
43 HA ILE 6 HA ILE 6 -5.285 -8.564 1.530
44 HB ILE 6 HB ILE 6 -6.876 -6.770 3.412
45 HG12 ILE 6 HG12 ILE 6 -6.235 -4.977 1.716
46 HG13 ILE 6 HG13 ILE 6 -5.529 -6.238 0.718
47 HG21 ILE 6 HG21 ILE 6 -3.901 -6.521 2.870
48 HG22 ILE 6 HG22 ILE 6 -4.662 -6.891 4.417
49 HG23 ILE 6 HG23 ILE 6 -4.895 -5.307 3.681
50 HD11 ILE 6 HD11 ILE 6 -7.690 -5.587 -0.101
51 HD12 ILE 6 HD12 ILE 6 -8.431 -5.937 1.459
52 HD13 ILE 6 HD13 ILE 6 -7.758 -7.249 0.486
53 H VAL 7 H VAL 7 -3.783 -9.918 2.414
54 HA VAL 7 HA VAL 7 -4.014 -10.919 5.166
55 HB VAL 7 HB VAL 7 -1.991 -12.293 4.656
56 HG11 VAL 7 HG11 VAL 7 -4.210 -12.578 2.598
57 HG12 VAL 7 HG12 VAL 7 -4.203 -13.247 4.229
58 HG13 VAL 7 HG13 VAL 7 -3.047 -13.834 3.033
59 HG21 VAL 7 HG21 VAL 7 -2.119 -11.081 1.860
60 HG22 VAL 7 HG22 VAL 7 -1.061 -12.403 2.363
61 HG23 VAL 7 HG23 VAL 7 -0.852 -10.795 3.056
62 H ASP 8 H ASP 8 -2.334 -8.451 3.448
63 HA ASP 8 HA ASP 8 -1.053 -7.469 5.874
64 HB2 ASP 8 HB2 ASP 8 0.669 -8.918 4.816
65 HB3 ASP 8 HB3 ASP 8 0.512 -8.024 3.306
66 HA PRO 9 HA PRO 9 -0.513 -5.595 6.774
67 HB2 PRO 9 HB2 PRO 9 -1.711 -3.362 7.771
68 HB3 PRO 9 HB3 PRO 9 -0.220 -3.286 6.818
69 HG2 PRO 9 HG2 PRO 9 -3.066 -2.834 5.916
70 HG3 PRO 9 HG3 PRO 9 -1.623 -1.848 5.590
71 HD2 PRO 9 HD2 PRO 9 -2.583 -3.647 3.782
72 HD3 PRO 9 HD3 PRO 9 -0.842 -3.304 3.934
73 H ARG 10 H ARG 10 -1.523 -6.294 8.644
74 HA ARG 10 HA ARG 10 -4.075 -7.611 8.325
75 HB2 ARG 10 HB2 ARG 10 -2.252 -7.470 10.773
76 HB3 ARG 10 HB3 ARG 10 -3.636 -8.539 10.593
77 HG2 ARG 10 HG2 ARG 10 -1.785 -9.929 10.174
78 HG3 ARG 10 HG3 ARG 10 -2.399 -9.549 8.567
79 HD2 ARG 10 HD2 ARG 10 0.051 -9.443 8.600
80 HD3 ARG 10 HD3 ARG 10 -0.622 -7.836 8.301
81 HE ARG 10 HE ARG 10 -0.134 -8.273 11.080
82 HH11 ARG 10 HH11 ARG 10 1.518 -7.368 8.150
83 HH12 ARG 10 HH12 ARG 10 2.801 -6.618 9.027
84 HH21 ARG 10 HH21 ARG 10 1.523 -7.327 12.123
85 HH22 ARG 10 HH22 ARG 10 2.816 -6.602 11.233
86 H GLU 11 H GLU 11 -2.943 -4.688 9.733
87 HA GLU 11 HA GLU 11 -5.635 -3.817 10.468
88 HB2 GLU 11 HB2 GLU 11 -4.892 -3.048 12.728
89 HB3 GLU 11 HB3 GLU 11 -4.813 -4.798 12.558
90 HG2 GLU 11 HG2 GLU 11 -2.358 -4.628 12.167
91 HG3 GLU 11 HG3 GLU 11 -2.456 -2.887 12.418
92 H HIS 12 H HIS 12 -5.122 -1.397 11.573
93 HA HIS 12 HA HIS 12 -4.345 0.335 9.503
94 HB2 HIS 12 HB2 HIS 12 -4.396 2.125 11.319
95 HB3 HIS 12 HB3 HIS 12 -5.844 1.131 11.214
96 HD1 HIS 12 HD1 HIS 12 -2.620 1.167 13.282
97 HD2 HIS 12 HD2 HIS 12 -6.643 0.181 13.647
98 HE1 HIS 12 HE1 HIS 12 -2.929 0.479 15.669
99 HE2 HIS 12 HE2 HIS 12 -5.372 -0.064 15.883
100 H VAL 13 H VAL 13 -2.453 1.442 8.998
101 HA VAL 13 HA VAL 13 -0.026 1.002 10.670
102 HB VAL 13 HB VAL 13 -0.136 1.184 7.620
103 HG11 VAL 13 HG11 VAL 13 2.281 0.765 9.430
104 HG12 VAL 13 HG12 VAL 13 1.934 2.214 8.482
105 HG13 VAL 13 HG13 VAL 13 2.295 0.693 7.665
106 HG21 VAL 13 HG21 VAL 13 -0.956 -0.985 8.450
107 HG22 VAL 13 HG22 VAL 13 0.519 -1.198 9.395
108 HG23 VAL 13 HG23 VAL 13 0.596 -1.175 7.631
109 H PHE 14 H PHE 14 0.196 2.914 11.723
110 HA PHE 14 HA PHE 14 -0.072 5.495 10.352
111 HB2 PHE 14 HB2 PHE 14 0.470 4.772 13.265
112 HB3 PHE 14 HB3 PHE 14 0.440 6.428 12.669
113 HD1 PHE 14 HD1 PHE 14 -1.698 3.349 12.908
114 HD2 PHE 14 HD2 PHE 14 -1.606 7.617 12.602
115 HE1 PHE 14 HE1 PHE 14 -4.131 3.434 13.261
116 HE2 PHE 14 HE2 PHE 14 -4.040 7.686 12.954
117 HZ PHE 14 HZ PHE 14 -5.303 5.600 13.283
118 H VAL 15 H VAL 15 1.634 6.211 9.224
119 HA VAL 15 HA VAL 15 4.413 5.526 9.975
120 HB VAL 15 HB VAL 15 3.318 6.676 7.361
121 HG11 VAL 15 HG11 VAL 15 5.538 6.142 6.393
122 HG12 VAL 15 HG12 VAL 15 6.108 5.638 7.986
123 HG13 VAL 15 HG13 VAL 15 5.668 7.322 7.700
124 HG21 VAL 15 HG21 VAL 15 3.694 4.419 6.400
125 HG22 VAL 15 HG22 VAL 15 2.515 4.375 7.714
126 HG23 VAL 15 HG23 VAL 15 4.166 3.823 7.995
127 H HIS 16 H HIS 16 5.737 7.107 10.817
128 HA HIS 16 HA HIS 16 4.938 9.964 10.642
129 HB2 HIS 16 HB2 HIS 16 7.064 8.704 12.434
130 HB3 HIS 16 HB3 HIS 16 6.468 10.361 12.513
131 HD1 HIS 16 HD1 HIS 16 6.118 7.290 14.212
132 HD2 HIS 16 HD2 HIS 16 3.428 10.226 13.029
133 HE1 HIS 16 HE1 HIS 16 4.092 6.956 15.642
134 HE2 HIS 16 HE2 HIS 16 2.427 8.628 14.800
135 H ALA 17 H ALA 17 5.787 10.869 8.841
136 HA ALA 17 HA ALA 17 8.510 10.112 7.902
137 HB1 ALA 17 HB1 ALA 17 6.110 11.033 6.285
138 HB2 ALA 17 HB2 ALA 17 6.693 9.372 6.415
139 HB3 ALA 17 HB3 ALA 17 7.694 10.597 5.633
140 H ILE 18 H ILE 18 9.698 11.811 6.754
141 HA ILE 18 HA ILE 18 8.908 14.610 7.380
142 HB ILE 18 HB ILE 18 11.760 13.712 6.758
143 HG12 ILE 18 HG12 ILE 18 11.074 12.511 8.827
144 HG13 ILE 18 HG13 ILE 18 12.301 13.720 9.172
145 HG21 ILE 18 HG21 ILE 18 11.341 16.113 6.464
146 HG22 ILE 18 HG22 ILE 18 12.430 15.835 7.823
147 HG23 ILE 18 HG23 ILE 18 10.734 16.228 8.120
148 HD11 ILE 18 HD11 ILE 18 10.615 13.656 10.902
149 HD12 ILE 18 HD12 ILE 18 9.344 13.983 9.725
150 HD13 ILE 18 HD13 ILE 18 10.568 15.210 10.070
151 H THR 19 H THR 19 9.607 16.168 5.639
152 HA THR 19 HA THR 19 8.305 15.662 3.246
153 HB THR 19 HB THR 19 9.361 17.801 2.419
154 HG1 THR 19 HG1 THR 19 11.069 18.596 3.406
155 HG21 THR 19 HG21 THR 19 7.341 17.903 3.841
156 HG22 THR 19 HG22 THR 19 8.416 19.265 4.158
157 HG23 THR 19 HG23 THR 19 8.357 17.910 5.287
158 H SER 20 H SER 20 11.816 15.286 3.839
159 HA SER 20 HA SER 20 12.253 14.666 0.959
160 HB2 SER 20 HB2 SER 20 13.585 16.553 2.017
161 HB3 SER 20 HB3 SER 20 14.377 15.358 3.039
162 HG SER 20 HG SER 20 14.687 14.396 0.666
163 H GLU 21 H GLU 21 11.313 12.834 3.300
164 HA GLU 21 HA GLU 21 13.340 10.732 3.385
165 HB2 GLU 21 HB2 GLU 21 10.531 10.974 4.525
166 HB3 GLU 21 HB3 GLU 21 11.464 9.485 4.656
167 HG2 GLU 21 HG2 GLU 21 12.337 12.178 5.744
168 HG3 GLU 21 HG3 GLU 21 11.553 10.914 6.691
169 H CYS 22 H CYS 22 12.868 8.496 2.793
170 HA CYS 22 HA CYS 22 11.171 8.172 0.380
171 HB2 CYS 22 HB2 CYS 22 13.431 6.394 1.397
172 HB3 CYS 22 HB3 CYS 22 12.560 6.201 -0.124
173 HG CYS 22 HG CYS 22 13.734 9.219 -0.136
174 H VAL 23 H VAL 23 9.150 7.494 1.011
175 HA VAL 23 HA VAL 23 8.864 5.462 3.168
176 HB VAL 23 HB VAL 23 6.883 7.549 2.130
177 HG11 VAL 23 HG11 VAL 23 5.607 5.502 2.662
178 HG12 VAL 23 HG12 VAL 23 5.290 6.746 3.873
179 HG13 VAL 23 HG13 VAL 23 6.378 5.407 4.247
180 HG21 VAL 23 HG21 VAL 23 8.617 8.434 3.647
181 HG22 VAL 23 HG22 VAL 23 8.203 7.216 4.856
182 HG23 VAL 23 HG23 VAL 23 7.032 8.464 4.426
183 H MET 24 H MET 24 7.968 3.502 2.724
184 HA MET 24 HA MET 24 6.678 3.031 0.090
185 HB2 MET 24 HB2 MET 24 8.944 2.038 0.123
186 HB3 MET 24 HB3 MET 24 8.558 1.160 1.595
187 HG2 MET 24 HG2 MET 24 6.863 -0.147 0.374
188 HG3 MET 24 HG3 MET 24 7.240 0.743 -1.102
189 HE1 MET 24 HE1 MET 24 10.947 -0.453 -1.802
190 HE2 MET 24 HE2 MET 24 10.462 0.984 -0.903
191 HE3 MET 24 HE3 MET 24 9.614 0.543 -2.386
192 H LEU 25 H LEU 25 4.559 2.969 0.669
193 HA LEU 25 HA LEU 25 3.534 1.623 3.010
194 HB2 LEU 25 HB2 LEU 25 2.085 2.668 0.543
195 HB3 LEU 25 HB3 LEU 25 1.312 2.167 2.043
196 HG LEU 25 HG LEU 25 3.176 4.556 1.709
197 HD11 LEU 25 HD11 LEU 25 1.189 5.935 2.117
198 HD12 LEU 25 HD12 LEU 25 0.178 4.488 2.163
199 HD13 LEU 25 HD13 LEU 25 1.003 4.945 0.670
200 HD21 LEU 25 HD21 LEU 25 1.686 3.636 4.195
201 HD22 LEU 25 HD22 LEU 25 2.615 5.129 4.035
202 HD23 LEU 25 HD23 LEU 25 3.433 3.575 3.942
203 H ALA 26 H ALA 26 3.828 -0.564 3.032
204 HA ALA 26 HA ALA 26 3.621 -2.183 0.599
205 HB1 ALA 26 HB1 ALA 26 4.455 -2.964 3.412
206 HB2 ALA 26 HB2 ALA 26 5.542 -2.497 2.103
207 HB3 ALA 26 HB3 ALA 26 4.588 -3.976 1.969
208 H CYS 27 H CYS 27 1.968 -3.498 0.146
209 HA CYS 27 HA CYS 27 0.045 -4.436 2.142
210 HB2 CYS 27 HB2 CYS 27 -0.966 -2.331 1.339
211 HB3 CYS 27 HB3 CYS 27 -0.785 -2.848 -0.335
212 HG CYS 27 HG CYS 27 -2.519 -5.073 1.405
213 H GLU 28 H GLU 28 0.093 -6.596 1.811
214 HA GLU 28 HA GLU 28 0.110 -7.680 -0.952
215 HB2 GLU 28 HB2 GLU 28 1.131 -8.905 1.643
216 HB3 GLU 28 HB3 GLU 28 1.019 -9.791 0.122
217 HG2 GLU 28 HG2 GLU 28 2.675 -8.402 -0.922
218 HG3 GLU 28 HG3 GLU 28 2.642 -7.247 0.413
219 H VAL 29 H VAL 29 -1.409 -9.126 -1.549
220 HA VAL 29 HA VAL 29 -3.714 -9.562 0.264
221 HB VAL 29 HB VAL 29 -5.071 -9.769 -1.851
222 HG11 VAL 29 HG11 VAL 29 -5.125 -7.339 -2.368
223 HG12 VAL 29 HG12 VAL 29 -3.598 -7.120 -1.508
224 HG13 VAL 29 HG13 VAL 29 -5.041 -7.634 -0.631
225 HG21 VAL 29 HG21 VAL 29 -4.081 -8.932 -3.986
226 HG22 VAL 29 HG22 VAL 29 -3.310 -10.414 -3.427
227 HG23 VAL 29 HG23 VAL 29 -2.496 -8.862 -3.210
228 H ASP 30 H ASP 30 -4.841 -11.567 0.092
229 HA ASP 30 HA ASP 30 -3.280 -13.889 0.169
230 HB2 ASP 30 HB2 ASP 30 -5.402 -13.617 1.398
231 HB3 ASP 30 HB3 ASP 30 -6.300 -13.573 -0.114
232 H ARG 31 H ARG 31 -5.108 -12.459 -2.474
233 HA ARG 31 HA ARG 31 -4.619 -14.821 -4.205
234 HB2 ARG 31 HB2 ARG 31 -7.038 -14.354 -3.433
235 HB3 ARG 31 HB3 ARG 31 -6.991 -12.921 -4.451
236 HG2 ARG 31 HG2 ARG 31 -6.647 -14.293 -6.434
237 HG3 ARG 31 HG3 ARG 31 -6.517 -15.746 -5.441
238 HD2 ARG 31 HD2 ARG 31 -8.905 -15.263 -4.664
239 HD3 ARG 31 HD3 ARG 31 -8.977 -14.062 -5.962
240 HE ARG 31 HE ARG 31 -8.092 -16.378 -7.149
241 HH11 ARG 31 HH11 ARG 31 -10.996 -15.413 -5.542
242 HH12 ARG 31 HH12 ARG 31 -11.922 -16.673 -6.271
243 HH21 ARG 31 HH21 ARG 31 -9.285 -17.972 -8.027
244 HH22 ARG 31 HH22 ARG 31 -10.968 -18.100 -7.658
245 H GLU 32 H GLU 32 -3.369 -14.413 -5.941
246 HA GLU 32 HA GLU 32 -2.289 -11.826 -6.497
247 HB2 GLU 32 HB2 GLU 32 -1.032 -12.914 -8.297
248 HB3 GLU 32 HB3 GLU 32 -0.996 -13.903 -6.842
249 HG2 GLU 32 HG2 GLU 32 -2.719 -15.389 -7.801
250 HG3 GLU 32 HG3 GLU 32 -2.774 -14.396 -9.256
251 H ASP 33 H ASP 33 -5.095 -13.424 -7.676
252 HA ASP 33 HA ASP 33 -5.523 -12.168 -10.170
253 HB2 ASP 33 HB2 ASP 33 -7.546 -13.175 -8.121
254 HB3 ASP 33 HB3 ASP 33 -7.906 -12.814 -9.808
255 H ALA 34 H ALA 34 -5.582 -10.824 -7.026
256 HA ALA 34 HA ALA 34 -7.671 -8.965 -7.024
257 HB1 ALA 34 HB1 ALA 34 -6.489 -7.889 -5.192
258 HB2 ALA 34 HB2 ALA 34 -4.977 -8.675 -5.658
259 HB3 ALA 34 HB3 ALA 34 -6.318 -9.642 -5.045
260 HA PRO 35 HA PRO 35 -5.712 -5.588 -9.436
261 HB2 PRO 35 HB2 PRO 35 -8.053 -4.609 -10.515
262 HB3 PRO 35 HB3 PRO 35 -7.139 -5.934 -11.235
263 HG2 PRO 35 HG2 PRO 35 -9.760 -6.033 -9.949
264 HG3 PRO 35 HG3 PRO 35 -8.920 -7.308 -10.846
265 HD2 PRO 35 HD2 PRO 35 -9.091 -6.884 -7.916
266 HD3 PRO 35 HD3 PRO 35 -8.650 -8.352 -8.818
267 H VAL 36 H VAL 36 -5.165 -4.621 -7.358
268 HA VAL 36 HA VAL 36 -7.206 -3.610 -5.606
269 HB VAL 36 HB VAL 36 -5.533 -2.994 -4.041
270 HG11 VAL 36 HG11 VAL 36 -5.774 -5.422 -4.269
271 HG12 VAL 36 HG12 VAL 36 -4.117 -5.010 -3.827
272 HG13 VAL 36 HG13 VAL 36 -4.499 -5.462 -5.490
273 HG21 VAL 36 HG21 VAL 36 -3.106 -2.812 -4.552
274 HG22 VAL 36 HG22 VAL 36 -4.064 -1.645 -5.460
275 HG23 VAL 36 HG23 VAL 36 -3.455 -3.093 -6.261
276 H ARG 37 H ARG 37 -7.432 -1.449 -4.857
277 HA ARG 37 HA ARG 37 -6.861 0.659 -6.869
278 HB2 ARG 37 HB2 ARG 37 -9.263 0.399 -5.004
279 HB3 ARG 37 HB3 ARG 37 -8.992 1.704 -6.153
280 HG2 ARG 37 HG2 ARG 37 -9.436 -1.214 -6.887
281 HG3 ARG 37 HG3 ARG 37 -10.663 0.058 -6.951
282 HD2 ARG 37 HD2 ARG 37 -8.082 0.036 -8.569
283 HD3 ARG 37 HD3 ARG 37 -9.664 -0.448 -9.181
284 HE ARG 37 HE ARG 37 -10.342 1.933 -8.573
285 HH11 ARG 37 HH11 ARG 37 -7.102 1.208 -9.601
286 HH12 ARG 37 HH12 ARG 37 -6.905 2.750 -10.356
287 HH21 ARG 37 HH21 ARG 37 -10.026 3.874 -9.521
288 HH22 ARG 37 HH22 ARG 37 -8.509 4.240 -10.261
289 H TRP 38 H TRP 38 -5.142 1.739 -6.011
290 HA TRP 38 HA TRP 38 -4.903 2.353 -3.166
291 HB2 TRP 38 HB2 TRP 38 -3.165 2.975 -5.595
292 HB3 TRP 38 HB3 TRP 38 -2.830 3.675 -4.019
293 HD1 TRP 38 HD1 TRP 38 -2.520 0.393 -5.956
294 HE1 TRP 38 HE1 TRP 38 -1.034 -1.204 -4.594
295 HE3 TRP 38 HE3 TRP 38 -2.204 3.076 -1.604
296 HZ2 TRP 38 HZ2 TRP 38 0.111 -1.324 -2.012
297 HZ3 TRP 38 HZ3 TRP 38 -0.892 2.155 0.266
298 HH2 TRP 38 HH2 TRP 38 0.245 -0.001 0.064
299 H TYR 39 H TYR 39 -5.737 4.184 -2.263
300 HA TYR 39 HA TYR 39 -6.491 6.477 -3.998
301 HB2 TYR 39 HB2 TYR 39 -7.784 5.576 -1.385
302 HB3 TYR 39 HB3 TYR 39 -8.261 6.992 -2.320
303 HD1 TYR 39 HD2 TYR 39 -8.984 6.546 -4.817
304 HD2 TYR 39 HD1 TYR 39 -8.878 3.520 -1.801
305 HE1 TYR 39 HE2 TYR 39 -10.516 5.164 -6.149
306 HE2 TYR 39 HE1 TYR 39 -10.404 2.141 -3.138
307 HH TYR 39 HH TYR 39 -11.110 2.800 -6.400
308 H LYS 40 H LYS 40 -5.730 8.457 -3.514
309 HA LYS 40 HA LYS 40 -4.183 8.871 -1.012
310 HB2 LYS 40 HB2 LYS 40 -2.882 8.869 -3.209
311 HB3 LYS 40 HB3 LYS 40 -3.788 10.290 -3.691
312 HG2 LYS 40 HG2 LYS 40 -2.038 10.199 -1.218
313 HG3 LYS 40 HG3 LYS 40 -1.431 10.646 -2.804
314 HD2 LYS 40 HD2 LYS 40 -3.134 12.529 -2.823
315 HD3 LYS 40 HD3 LYS 40 -3.509 12.117 -1.147
316 HE2 LYS 40 HE2 LYS 40 -1.940 13.981 -1.240
317 HE3 LYS 40 HE3 LYS 40 -1.171 12.567 -0.519
318 HZ1 LYS 40 HZ1 LYS 40 -0.837 13.500 -3.320
319 HZ2 LYS 40 HZ2 LYS 40 -0.115 12.116 -2.665
320 HZ3 LYS 40 HZ3 LYS 40 0.301 13.645 -2.077
321 H ASP 41 H ASP 41 -5.851 9.612 0.183
322 HA ASP 41 HA ASP 41 -7.554 10.844 1.013
323 HB2 ASP 41 HB2 ASP 41 -5.912 13.008 -0.353
324 HB3 ASP 41 HB3 ASP 41 -7.171 13.337 0.835
325 H GLY 42 H GLY 42 -8.072 9.808 -1.823
326 HA2 GLY 42 HA2 GLY 42 -10.639 10.025 -2.154
327 HA3 GLY 42 HA3 GLY 42 -10.245 11.670 -2.615
328 H GLN 43 H GLN 43 -8.403 11.719 -4.407
329 HA GLN 43 HA GLN 43 -9.867 10.626 -6.697
330 HB2 GLN 43 HB2 GLN 43 -7.724 12.771 -6.446
331 HB3 GLN 43 HB3 GLN 43 -8.407 12.283 -7.992
332 HG2 GLN 43 HG2 GLN 43 -10.611 13.057 -7.308
333 HG3 GLN 43 HG3 GLN 43 -10.001 13.462 -5.704
334 HE21 GLN 43 HE21 GLN 43 -11.243 15.182 -7.768
335 HE22 GLN 43 HE22 GLN 43 -10.119 16.459 -8.040
336 H GLU 44 H GLU 44 -8.512 8.514 -5.665
337 HA GLU 44 HA GLU 44 -6.908 6.921 -5.812
338 HB2 GLU 44 HB2 GLU 44 -7.754 7.180 -8.314
339 HB3 GLU 44 HB3 GLU 44 -6.171 7.884 -8.601
340 HG2 GLU 44 HG2 GLU 44 -5.152 5.760 -7.708
341 HG3 GLU 44 HG3 GLU 44 -6.770 5.073 -7.622
342 H VAL 45 H VAL 45 -4.271 6.866 -6.895
343 HA VAL 45 HA VAL 45 -2.964 9.037 -5.382
344 HB VAL 45 HB VAL 45 -1.703 6.477 -6.431
345 HG11 VAL 45 HG11 VAL 45 0.092 6.962 -4.791
346 HG12 VAL 45 HG12 VAL 45 -0.713 8.475 -4.358
347 HG13 VAL 45 HG13 VAL 45 -0.062 8.253 -5.985
348 HG21 VAL 45 HG21 VAL 45 -2.794 7.040 -3.646
349 HG22 VAL 45 HG22 VAL 45 -1.918 5.587 -4.140
350 HG23 VAL 45 HG23 VAL 45 -3.500 5.941 -4.833
351 H GLU 46 H GLU 46 -3.004 7.532 -8.543
352 HA GLU 46 HA GLU 46 -2.132 7.928 -10.569
353 HB2 GLU 46 HB2 GLU 46 -1.863 10.798 -9.595
354 HB3 GLU 46 HB3 GLU 46 -1.603 10.286 -11.261
355 HG2 GLU 46 HG2 GLU 46 -3.982 9.457 -11.298
356 HG3 GLU 46 HG3 GLU 46 -4.207 10.180 -9.705
357 H GLU 47 H GLU 47 -0.183 8.204 -11.797
358 HA GLU 47 HA GLU 47 2.265 7.833 -10.198
359 HB2 GLU 47 HB2 GLU 47 1.693 7.165 -13.113
360 HB3 GLU 47 HB3 GLU 47 3.154 6.728 -12.229
361 HG2 GLU 47 HG2 GLU 47 1.758 5.354 -10.675
362 HG3 GLU 47 HG3 GLU 47 0.339 5.739 -11.645
363 H SER 48 H SER 48 1.447 10.430 -10.337
364 HA SER 48 HA SER 48 3.481 11.785 -12.043
365 HB2 SER 48 HB2 SER 48 1.988 13.793 -11.943
366 HB3 SER 48 HB3 SER 48 1.176 12.418 -12.692
367 HG SER 48 HG SER 48 0.857 13.376 -10.032
368 H ASP 49 H ASP 49 4.012 14.064 -10.959
369 HA ASP 49 HA ASP 49 5.080 15.230 -9.330
370 HB2 ASP 49 HB2 ASP 49 2.974 13.944 -7.539
371 HB3 ASP 49 HB3 ASP 49 3.959 15.336 -7.089
372 H PHE 50 H PHE 50 6.226 12.734 -9.973
373 HA PHE 50 HA PHE 50 7.987 11.425 -9.492
374 HB2 PHE 50 HB2 PHE 50 8.151 12.963 -6.869
375 HB3 PHE 50 HB3 PHE 50 9.344 11.778 -7.389
376 HD1 PHE 50 HD1 PHE 50 10.778 12.237 -9.394
377 HD2 PHE 50 HD2 PHE 50 8.145 15.210 -7.810
378 HE1 PHE 50 HE1 PHE 50 11.965 13.977 -10.663
379 HE2 PHE 50 HE2 PHE 50 9.341 16.942 -9.084
380 HZ PHE 50 HZ PHE 50 11.250 16.327 -10.514
381 H VAL 51 H VAL 51 5.089 11.166 -7.940
382 HA VAL 51 HA VAL 51 5.602 9.047 -6.066
383 HB VAL 51 HB VAL 51 2.949 9.866 -7.353
384 HG11 VAL 51 HG11 VAL 51 1.904 8.812 -5.362
385 HG12 VAL 51 HG12 VAL 51 3.493 8.275 -4.819
386 HG13 VAL 51 HG13 VAL 51 2.818 7.646 -6.322
387 HG21 VAL 51 HG21 VAL 51 4.163 10.854 -4.740
388 HG22 VAL 51 HG22 VAL 51 2.557 11.258 -5.345
389 HG23 VAL 51 HG23 VAL 51 3.990 11.800 -6.221
390 H VAL 52 H VAL 52 5.795 6.888 -6.514
391 HA VAL 52 HA VAL 52 5.014 5.896 -9.206
392 HB VAL 52 HB VAL 52 6.889 4.241 -9.050
393 HG11 VAL 52 HG11 VAL 52 8.721 5.828 -9.583
394 HG12 VAL 52 HG12 VAL 52 7.764 7.153 -8.915
395 HG13 VAL 52 HG13 VAL 52 7.201 6.295 -10.350
396 HG21 VAL 52 HG21 VAL 52 7.220 4.165 -6.614
397 HG22 VAL 52 HG22 VAL 52 7.785 5.836 -6.615
398 HG23 VAL 52 HG23 VAL 52 8.732 4.583 -7.424
399 H LEU 53 H LEU 53 3.643 4.226 -9.292
400 HA LEU 53 HA LEU 53 2.884 2.784 -6.817
401 HB2 LEU 53 HB2 LEU 53 1.431 3.080 -9.479
402 HB3 LEU 53 HB3 LEU 53 0.838 2.113 -8.137
403 HG LEU 53 HG LEU 53 1.242 5.134 -8.072
404 HD11 LEU 53 HD11 LEU 53 -1.207 5.309 -8.052
405 HD12 LEU 53 HD12 LEU 53 -1.347 3.560 -8.249
406 HD13 LEU 53 HD13 LEU 53 -0.628 4.540 -9.529
407 HD21 LEU 53 HD21 LEU 53 1.582 4.134 -5.862
408 HD22 LEU 53 HD22 LEU 53 0.033 3.294 -5.976
409 HD23 LEU 53 HD23 LEU 53 0.081 5.056 -5.899
410 H GLU 54 H GLU 54 4.162 1.001 -6.618
411 HA GLU 54 HA GLU 54 4.977 -0.550 -8.995
412 HB2 GLU 54 HB2 GLU 54 6.011 -0.799 -6.138
413 HB3 GLU 54 HB3 GLU 54 6.696 -1.545 -7.580
414 HG2 GLU 54 HG2 GLU 54 7.066 0.863 -8.426
415 HG3 GLU 54 HG3 GLU 54 6.732 1.370 -6.770
416 H ASN 55 H ASN 55 3.888 -2.346 -9.486
417 HA ASN 55 HA ASN 55 2.430 -3.873 -7.400
418 HB2 ASN 55 HB2 ASN 55 1.320 -3.206 -10.174
419 HB3 ASN 55 HB3 ASN 55 0.485 -4.064 -8.877
420 HD21 ASN 55 HD21 ASN 55 1.570 -0.938 -10.003
421 HD22 ASN 55 HD22 ASN 55 0.627 -0.003 -8.901
422 H GLU 56 H GLU 56 2.644 -6.077 -7.576
423 HA GLU 56 HA GLU 56 3.471 -7.409 -10.029
424 HB2 GLU 56 HB2 GLU 56 5.659 -6.734 -9.089
425 HB3 GLU 56 HB3 GLU 56 5.243 -7.448 -7.536
426 HG2 GLU 56 HG2 GLU 56 5.172 -9.698 -8.629
427 HG3 GLU 56 HG3 GLU 56 5.678 -8.950 -10.144
428 H GLY 57 H GLY 57 1.636 -8.664 -9.978
429 HA2 GLY 57 HA2 GLY 57 0.190 -10.348 -9.444
430 HA3 GLY 57 HA3 GLY 57 1.494 -11.034 -8.491
431 HA PRO 58 HA PRO 58 -1.321 -9.920 -5.049
432 HB2 PRO 58 HB2 PRO 58 -0.216 -11.417 -3.105
433 HB3 PRO 58 HB3 PRO 58 -1.083 -12.169 -4.454
434 HG2 PRO 58 HG2 PRO 58 1.890 -11.847 -4.055
435 HG3 PRO 58 HG3 PRO 58 0.988 -13.271 -4.615
436 HD2 PRO 58 HD2 PRO 58 2.269 -11.470 -6.305
437 HD3 PRO 58 HD3 PRO 58 0.905 -12.502 -6.796
438 H HIS 59 H HIS 59 1.996 -9.083 -5.402
439 HA HIS 59 HA HIS 59 2.268 -7.693 -2.825
440 HB2 HIS 59 HB2 HIS 59 4.239 -7.766 -5.151
441 HB3 HIS 59 HB3 HIS 59 4.572 -7.236 -3.506
442 HD1 HIS 59 HD1 HIS 59 5.368 -9.009 -1.895
443 HD2 HIS 59 HD2 HIS 59 3.795 -10.608 -5.374
444 HE1 HIS 59 HE1 HIS 59 5.976 -11.435 -1.849
445 HE2 HIS 59 HE2 HIS 59 5.204 -12.332 -4.062
446 H ARG 60 H ARG 60 1.576 -5.630 -2.625
447 HA ARG 60 HA ARG 60 1.573 -3.786 -4.959
448 HB2 ARG 60 HB2 ARG 60 -0.540 -3.993 -2.760
449 HB3 ARG 60 HB3 ARG 60 -0.552 -2.834 -4.089
450 HG2 ARG 60 HG2 ARG 60 -0.809 -5.855 -4.371
451 HG3 ARG 60 HG3 ARG 60 -2.135 -4.692 -4.448
452 HD2 ARG 60 HD2 ARG 60 -0.861 -3.601 -6.393
453 HD3 ARG 60 HD3 ARG 60 0.151 -5.044 -6.404
454 HE ARG 60 HE ARG 60 -2.006 -6.300 -6.798
455 HH11 ARG 60 HH11 ARG 60 -1.717 -2.993 -7.788
456 HH12 ARG 60 HH12 ARG 60 -2.764 -3.203 -9.143
457 HH21 ARG 60 HH21 ARG 60 -3.351 -6.519 -8.569
458 HH22 ARG 60 HH22 ARG 60 -3.668 -5.149 -9.576
459 H ARG 61 H ARG 61 2.761 -1.946 -4.534
460 HA ARG 61 HA ARG 61 2.905 -0.913 -1.795
461 HB2 ARG 61 HB2 ARG 61 5.440 -0.597 -2.025
462 HB3 ARG 61 HB3 ARG 61 4.856 -2.222 -1.693
463 HG2 ARG 61 HG2 ARG 61 5.179 -2.845 -4.048
464 HG3 ARG 61 HG3 ARG 61 5.721 -1.206 -4.421
465 HD2 ARG 61 HD2 ARG 61 7.586 -2.888 -4.124
466 HD3 ARG 61 HD3 ARG 61 7.703 -1.469 -3.083
467 HE ARG 61 HE ARG 61 7.241 -2.780 -1.221
468 HH11 ARG 61 HH11 ARG 61 7.075 -4.788 -4.051
469 HH12 ARG 61 HH12 ARG 61 7.110 -6.246 -3.131
470 HH21 ARG 61 HH21 ARG 61 7.254 -4.657 -0.089
471 HH22 ARG 61 HH22 ARG 61 7.216 -6.172 -0.918
472 H LEU 62 H LEU 62 2.440 1.113 -1.784
473 HA LEU 62 HA LEU 62 2.812 2.939 -4.018
474 HB2 LEU 62 HB2 LEU 62 0.820 2.890 -2.447
475 HB3 LEU 62 HB3 LEU 62 1.858 3.484 -1.173
476 HG LEU 62 HG LEU 62 1.311 5.059 -3.729
477 HD11 LEU 62 HD11 LEU 62 -0.150 5.271 -1.076
478 HD12 LEU 62 HD12 LEU 62 -0.817 4.650 -2.589
479 HD13 LEU 62 HD13 LEU 62 -0.355 6.344 -2.466
480 HD21 LEU 62 HD21 LEU 62 2.005 7.019 -2.406
481 HD22 LEU 62 HD22 LEU 62 3.298 5.830 -2.513
482 HD23 LEU 62 HD23 LEU 62 2.358 5.973 -1.025
483 H VAL 63 H VAL 63 4.846 3.682 -4.355
484 HA VAL 63 HA VAL 63 6.670 4.011 -2.043
485 HB VAL 63 HB VAL 63 7.413 3.531 -4.956
486 HG11 VAL 63 HG11 VAL 63 9.701 3.103 -4.109
487 HG12 VAL 63 HG12 VAL 63 9.181 3.538 -2.478
488 HG13 VAL 63 HG13 VAL 63 9.178 4.752 -3.759
489 HG21 VAL 63 HG21 VAL 63 7.408 1.551 -2.645
490 HG22 VAL 63 HG22 VAL 63 8.025 1.236 -4.267
491 HG23 VAL 63 HG23 VAL 63 6.306 1.544 -4.025
492 H LEU 64 H LEU 64 7.496 5.915 -1.603
493 HA LEU 64 HA LEU 64 7.345 8.173 -3.482
494 HB2 LEU 64 HB2 LEU 64 6.527 7.958 -0.655
495 HB3 LEU 64 HB3 LEU 64 7.632 9.291 -0.903
496 HG LEU 64 HG LEU 64 5.369 10.116 -1.049
497 HD11 LEU 64 HD11 LEU 64 7.019 11.144 -2.541
498 HD12 LEU 64 HD12 LEU 64 5.396 11.208 -3.218
499 HD13 LEU 64 HD13 LEU 64 6.564 10.031 -3.834
500 HD21 LEU 64 HD21 LEU 64 4.881 8.090 -3.248
501 HD22 LEU 64 HD22 LEU 64 3.756 9.348 -2.721
502 HD23 LEU 64 HD23 LEU 64 4.207 8.054 -1.615
503 HA PRO 65 HA PRO 65 11.932 8.029 -3.011
504 HB2 PRO 65 HB2 PRO 65 12.374 10.075 -4.834
505 HB3 PRO 65 HB3 PRO 65 12.178 8.378 -5.282
506 HG2 PRO 65 HG2 PRO 65 10.138 10.594 -5.321
507 HG3 PRO 65 HG3 PRO 65 10.458 9.349 -6.548
508 HD2 PRO 65 HD2 PRO 65 8.392 9.125 -4.829
509 HD3 PRO 65 HD3 PRO 65 9.313 7.692 -5.348
510 H ALA 66 H ALA 66 10.082 11.096 -3.280
511 HA ALA 66 HA ALA 66 11.212 12.008 -0.690
512 HB1 ALA 66 HB1 ALA 66 11.114 14.340 -1.509
513 HB2 ALA 66 HB2 ALA 66 10.580 13.776 -3.095
514 HB3 ALA 66 HB3 ALA 66 12.194 13.370 -2.511
515 H THR 67 H THR 67 9.571 11.953 0.759
516 HA THR 67 HA THR 67 6.973 11.155 0.065
517 HB THR 67 HB THR 67 7.723 12.355 2.764
518 HG1 THR 67 HG1 THR 67 9.230 10.808 2.473
519 HG21 THR 67 HG21 THR 67 6.061 10.734 3.648
520 HG22 THR 67 HG22 THR 67 5.698 10.206 2.005
521 HG23 THR 67 HG23 THR 67 5.305 11.852 2.508
522 H GLN 68 H GLN 68 8.151 14.362 0.987
523 HA GLN 68 HA GLN 68 7.409 16.476 0.647
524 HB2 GLN 68 HB2 GLN 68 5.358 15.123 -1.163
525 HB3 GLN 68 HB3 GLN 68 5.620 16.861 -1.091
526 HG2 GLN 68 HG2 GLN 68 7.724 16.722 -2.139
527 HG3 GLN 68 HG3 GLN 68 7.902 15.012 -1.771
528 HE21 GLN 68 HE21 GLN 68 5.295 14.178 -2.732
529 HE22 GLN 68 HE22 GLN 68 5.346 14.311 -4.452
530 HA PRO 69 HA PRO 69 3.758 17.220 3.384
531 HB2 PRO 69 HB2 PRO 69 2.861 19.669 2.467
532 HB3 PRO 69 HB3 PRO 69 4.251 19.486 3.543
533 HG2 PRO 69 HG2 PRO 69 4.214 19.833 0.547
534 HG3 PRO 69 HG3 PRO 69 5.250 20.629 1.752
535 HD2 PRO 69 HD2 PRO 69 6.149 18.537 0.289
536 HD3 PRO 69 HD3 PRO 69 6.644 18.759 1.982
537 H SER 70 H SER 70 3.661 17.256 -0.098
538 HA SER 70 HA SER 70 1.000 17.070 -0.782
539 HB2 SER 70 HB2 SER 70 2.642 17.093 -2.530
540 HB3 SER 70 HB3 SER 70 3.449 15.660 -1.896
541 HG SER 70 HG SER 70 2.237 14.560 -3.187
542 H ASP 71 H ASP 71 3.089 14.204 -0.025
543 HA ASP 71 HA ASP 71 0.697 12.481 -0.053
544 HB2 ASP 71 HB2 ASP 71 3.655 11.759 -0.082
545 HB3 ASP 71 HB3 ASP 71 2.324 10.611 -0.247
546 H GLY 72 H GLY 72 1.496 14.239 2.293
547 HA2 GLY 72 HA2 GLY 72 1.650 12.240 4.462
548 HA3 GLY 72 HA3 GLY 72 1.743 13.988 4.636
549 H GLY 73 H GLY 73 -0.454 11.289 3.996
550 HA2 GLY 73 HA2 GLY 73 -2.612 12.560 5.455
551 HA3 GLY 73 HA3 GLY 73 -2.901 12.464 3.723
552 H GLU 74 H GLU 74 -4.582 11.035 3.767
553 HA GLU 74 HA GLU 74 -4.284 8.443 5.173
554 HB2 GLU 74 HB2 GLU 74 -6.796 9.979 4.380
555 HB3 GLU 74 HB3 GLU 74 -6.796 8.390 5.148
556 HG2 GLU 74 HG2 GLU 74 -5.806 9.285 7.165
557 HG3 GLU 74 HG3 GLU 74 -5.536 10.850 6.404
558 H PHE 75 H PHE 75 -4.471 6.574 4.081
559 HA PHE 75 HA PHE 75 -4.911 6.588 1.152
560 HB2 PHE 75 HB2 PHE 75 -2.730 5.086 2.679
561 HB3 PHE 75 HB3 PHE 75 -3.015 4.980 0.946
562 HD1 PHE 75 HD2 PHE 75 -1.731 7.159 3.667
563 HD2 PHE 75 HD1 PHE 75 -2.265 6.742 -0.556
564 HE1 PHE 75 HE2 PHE 75 -0.197 9.045 3.278
565 HE2 PHE 75 HE1 PHE 75 -0.724 8.618 -0.925
566 HZ PHE 75 HZ PHE 75 0.309 9.773 0.981
567 H GLN 76 H GLN 76 -5.793 4.678 0.262
568 HA GLN 76 HA GLN 76 -6.707 2.530 2.078
569 HB2 GLN 76 HB2 GLN 76 -8.531 4.209 1.919
570 HB3 GLN 76 HB3 GLN 76 -8.523 4.064 0.163
571 HG2 GLN 76 HG2 GLN 76 -9.207 1.673 0.394
572 HG3 GLN 76 HG3 GLN 76 -9.265 1.884 2.143
573 HE21 GLN 76 HE21 GLN 76 -10.778 2.734 -0.888
574 HE22 GLN 76 HE22 GLN 76 -12.270 3.274 -0.218
575 H CYS 77 H CYS 77 -6.789 0.487 1.140
576 HA CYS 77 HA CYS 77 -6.039 0.227 -1.737
577 HB2 CYS 77 HB2 CYS 77 -5.185 -1.656 0.504
578 HB3 CYS 77 HB3 CYS 77 -4.607 -1.640 -1.163
579 HG CYS 77 HG CYS 77 -2.565 -0.724 0.437
580 H VAL 78 H VAL 78 -8.076 -0.318 -2.594
581 HA VAL 78 HA VAL 78 -9.709 -2.401 -1.284
582 HB VAL 78 HB VAL 78 -10.387 -0.635 -3.689
583 HG11 VAL 78 HG11 VAL 78 -11.651 -2.747 -3.763
584 HG12 VAL 78 HG12 VAL 78 -12.727 -1.410 -3.360
585 HG13 VAL 78 HG13 VAL 78 -12.186 -2.517 -2.096
586 HG21 VAL 78 HG21 VAL 78 -10.155 0.672 -1.599
587 HG22 VAL 78 HG22 VAL 78 -11.306 -0.396 -0.792
588 HG23 VAL 78 HG23 VAL 78 -11.836 0.620 -2.133
589 H ALA 79 H ALA 79 -8.922 -4.409 -1.780
590 HA ALA 79 HA ALA 79 -7.990 -5.171 -4.430
591 HB1 ALA 79 HB1 ALA 79 -7.646 -7.396 -3.442
592 HB2 ALA 79 HB2 ALA 79 -8.500 -6.891 -1.981
593 HB3 ALA 79 HB3 ALA 79 -6.964 -6.137 -2.410
594 H GLY 80 H GLY 80 -10.916 -5.537 -2.535
595 HA2 GLY 80 HA2 GLY 80 -12.543 -6.151 -4.841
596 HA3 GLY 80 HA3 GLY 80 -12.362 -7.525 -3.751
597 H ASP 81 H ASP 81 -13.669 -7.630 -1.973
598 HA ASP 81 HA ASP 81 -15.456 -5.405 -1.333
599 HB2 ASP 81 HB2 ASP 81 -16.307 -7.757 -1.424
600 HB3 ASP 81 HB3 ASP 81 -15.257 -8.178 -0.076
601 H GLU 82 H GLU 82 -12.461 -6.721 -0.206
602 HA GLU 82 HA GLU 82 -12.590 -5.402 2.426
603 HB2 GLU 82 HB2 GLU 82 -11.805 -7.776 2.284
604 HB3 GLU 82 HB3 GLU 82 -10.458 -7.261 1.277
605 HG2 GLU 82 HG2 GLU 82 -9.734 -7.644 3.580
606 HG3 GLU 82 HG3 GLU 82 -9.536 -5.949 3.133
607 H CYS 83 H CYS 83 -11.043 -3.858 3.098
608 HA CYS 83 HA CYS 83 -9.220 -2.673 1.111
609 HB2 CYS 83 HB2 CYS 83 -10.006 -0.376 1.719
610 HB3 CYS 83 HB3 CYS 83 -11.248 -1.333 0.919
611 HG CYS 83 HG CYS 83 -12.870 -1.654 3.019
612 H ALA 84 H ALA 84 -7.299 -2.052 1.945
613 HA ALA 84 HA ALA 84 -6.800 -2.194 4.847
614 HB1 ALA 84 HB1 ALA 84 -4.854 -1.904 2.528
615 HB2 ALA 84 HB2 ALA 84 -5.279 -3.414 3.335
616 HB3 ALA 84 HB3 ALA 84 -4.418 -2.155 4.221
617 H TYR 85 H TYR 85 -5.425 -0.439 5.867
618 HA TYR 85 HA TYR 85 -5.884 2.255 4.713
619 HB2 TYR 85 HB2 TYR 85 -6.635 1.369 7.531
620 HB3 TYR 85 HB3 TYR 85 -6.542 3.060 7.042
621 HD1 TYR 85 HD2 TYR 85 -8.092 3.902 5.213
622 HD2 TYR 85 HD1 TYR 85 -8.613 0.064 7.019
623 HE1 TYR 85 HE2 TYR 85 -10.391 3.810 4.352
624 HE2 TYR 85 HE1 TYR 85 -10.913 -0.032 6.150
625 HH TYR 85 HH TYR 85 -12.052 1.987 3.748
626 H PHE 86 H PHE 86 -4.260 3.638 4.874
627 HA PHE 86 HA PHE 86 -2.062 3.267 6.840
628 HB2 PHE 86 HB2 PHE 86 -1.792 4.312 3.976
629 HB3 PHE 86 HB3 PHE 86 -0.484 4.172 5.144
630 HD1 PHE 86 HD2 PHE 86 0.497 1.970 5.671
631 HD2 PHE 86 HD1 PHE 86 -2.662 2.331 2.807
632 HE1 PHE 86 HE2 PHE 86 0.979 -0.295 4.845
633 HE2 PHE 86 HE1 PHE 86 -2.167 0.062 1.994
634 HZ PHE 86 HZ PHE 86 -0.353 -1.249 3.009
635 H THR 87 H THR 87 -1.518 5.146 7.978
636 HA THR 87 HA THR 87 -2.596 7.754 7.036
637 HB THR 87 HB THR 87 -2.354 6.896 9.961
638 HG1 THR 87 HG1 THR 87 -4.857 7.540 9.017
639 HG21 THR 87 HG21 THR 87 -3.563 9.009 10.456
640 HG22 THR 87 HG22 THR 87 -3.503 9.440 8.747
641 HG23 THR 87 HG23 THR 87 -2.010 9.330 9.680
642 H VAL 88 H VAL 88 -0.763 8.617 6.175
643 HA VAL 88 HA VAL 88 1.789 8.576 7.631
644 HB VAL 88 HB VAL 88 1.154 9.687 4.855
645 HG11 VAL 88 HG11 VAL 88 3.858 9.193 6.169
646 HG12 VAL 88 HG12 VAL 88 3.143 10.770 5.831
647 HG13 VAL 88 HG13 VAL 88 3.609 9.711 4.499
648 HG21 VAL 88 HG21 VAL 88 0.823 7.243 4.929
649 HG22 VAL 88 HG22 VAL 88 2.441 7.029 5.600
650 HG23 VAL 88 HG23 VAL 88 2.241 7.650 3.960
651 H THR 89 H THR 89 2.487 10.263 8.777
652 HA THR 89 HA THR 89 1.217 12.936 8.512
653 HB THR 89 HB THR 89 1.600 13.209 10.995
654 HG1 THR 89 HG1 THR 89 1.766 10.450 11.380
655 HG21 THR 89 HG21 THR 89 -0.657 12.585 10.201
656 HG22 THR 89 HG22 THR 89 -0.307 11.839 11.762
657 HG23 THR 89 HG23 THR 89 -0.217 10.877 10.285
658 H ILE 90 H ILE 90 2.668 14.509 8.013
659 HA ILE 90 HA ILE 90 5.532 13.883 7.968
660 HB ILE 90 HB ILE 90 4.106 16.353 6.904
661 HG12 ILE 90 HG12 ILE 90 3.320 14.317 5.736
662 HG13 ILE 90 HG13 ILE 90 4.279 15.325 4.661
663 HG21 ILE 90 HG21 ILE 90 6.937 15.360 6.375
664 HG22 ILE 90 HG22 ILE 90 6.484 16.797 7.297
665 HG23 ILE 90 HG23 ILE 90 6.164 16.726 5.566
666 HD11 ILE 90 HD11 ILE 90 5.210 12.805 6.034
667 HD12 ILE 90 HD12 ILE 90 6.188 13.819 4.967
668 HD13 ILE 90 HD13 ILE 90 4.766 12.988 4.338
Start of MODEL 12
1 H HIS 1 H1 HIS 1 -18.416 -16.002 -5.353
2 HA HIS 1 HA HIS 1 -18.263 -13.707 -5.996
3 HB2 HIS 1 HB2 HIS 1 -18.534 -13.222 -2.998
4 HB3 HIS 1 HB3 HIS 1 -17.885 -12.000 -4.089
5 HD1 HIS 1 HD1 HIS 1 -21.112 -13.868 -3.373
6 HD2 HIS 1 HD2 HIS 1 -19.781 -10.553 -5.500
7 HE1 HIS 1 HE1 HIS 1 -23.172 -12.747 -4.229
8 HE2 HIS 1 HE2 HIS 1 -22.355 -10.689 -5.398
9 H MET 2 H MET 2 -16.259 -12.170 -5.114
10 HA MET 2 HA MET 2 -13.965 -13.766 -5.717
11 HB2 MET 2 HB2 MET 2 -13.970 -10.851 -4.863
12 HB3 MET 2 HB3 MET 2 -12.750 -11.681 -5.819
13 HG2 MET 2 HG2 MET 2 -13.961 -10.283 -7.308
14 HG3 MET 2 HG3 MET 2 -14.502 -11.928 -7.636
15 HE1 MET 2 HE1 MET 2 -15.416 -8.515 -5.834
16 HE2 MET 2 HE2 MET 2 -15.626 -9.684 -4.530
17 HE3 MET 2 HE3 MET 2 -17.028 -8.867 -5.224
18 HA PRO 3 HA PRO 3 -12.905 -14.334 -1.289
19 HB2 PRO 3 HB2 PRO 3 -10.772 -16.173 -2.035
20 HB3 PRO 3 HB3 PRO 3 -12.364 -16.562 -1.380
21 HG2 PRO 3 HG2 PRO 3 -11.573 -17.190 -3.955
22 HG3 PRO 3 HG3 PRO 3 -13.265 -16.973 -3.462
23 HD2 PRO 3 HD2 PRO 3 -11.421 -14.997 -4.824
24 HD3 PRO 3 HD3 PRO 3 -13.123 -15.389 -5.186
25 H VAL 4 H VAL 4 -11.527 -12.269 -3.185
26 HA VAL 4 HA VAL 4 -8.804 -12.114 -2.309
27 HB VAL 4 HB VAL 4 -9.278 -11.205 -4.467
28 HG11 VAL 4 HG11 VAL 4 -11.268 -9.297 -3.213
29 HG12 VAL 4 HG12 VAL 4 -11.642 -10.672 -4.251
30 HG13 VAL 4 HG13 VAL 4 -10.762 -9.290 -4.906
31 HG21 VAL 4 HG21 VAL 4 -8.685 -8.876 -2.594
32 HG22 VAL 4 HG22 VAL 4 -8.322 -8.930 -4.320
33 HG23 VAL 4 HG23 VAL 4 -7.506 -10.033 -3.215
34 H HIS 5 H HIS 5 -8.827 -12.139 -0.113
35 HA HIS 5 HA HIS 5 -9.681 -9.659 1.282
36 HB2 HIS 5 HB2 HIS 5 -9.357 -12.507 2.344
37 HB3 HIS 5 HB3 HIS 5 -9.506 -11.101 3.400
38 HD1 HIS 5 HD1 HIS 5 -11.836 -10.806 4.207
39 HD2 HIS 5 HD2 HIS 5 -11.768 -12.472 0.408
40 HE1 HIS 5 HE1 HIS 5 -14.237 -11.103 3.564
41 HE2 HIS 5 HE2 HIS 5 -14.152 -11.848 1.170
42 H ILE 6 H ILE 6 -8.165 -8.561 2.504
43 HA ILE 6 HA ILE 6 -5.468 -8.733 1.536
44 HB ILE 6 HB ILE 6 -6.612 -6.935 3.724
45 HG12 ILE 6 HG12 ILE 6 -6.274 -6.425 0.722
46 HG13 ILE 6 HG13 ILE 6 -7.808 -6.674 1.546
47 HG21 ILE 6 HG21 ILE 6 -4.143 -7.037 3.820
48 HG22 ILE 6 HG22 ILE 6 -4.667 -5.458 3.240
49 HG23 ILE 6 HG23 ILE 6 -4.041 -6.650 2.099
50 HD11 ILE 6 HD11 ILE 6 -5.934 -4.344 1.942
51 HD12 ILE 6 HD12 ILE 6 -7.470 -4.585 2.781
52 HD13 ILE 6 HD13 ILE 6 -7.445 -4.346 1.036
53 H VAL 7 H VAL 7 -4.084 -10.187 2.256
54 HA VAL 7 HA VAL 7 -4.335 -11.511 4.811
55 HB VAL 7 HB VAL 7 -2.291 -12.813 4.062
56 HG11 VAL 7 HG11 VAL 7 -4.625 -12.749 2.099
57 HG12 VAL 7 HG12 VAL 7 -4.564 -13.658 3.610
58 HG13 VAL 7 HG13 VAL 7 -3.474 -14.076 2.289
59 HG21 VAL 7 HG21 VAL 7 -2.602 -11.217 1.478
60 HG22 VAL 7 HG22 VAL 7 -1.503 -12.577 1.735
61 HG23 VAL 7 HG23 VAL 7 -1.258 -11.070 2.617
62 H ASP 8 H ASP 8 -2.228 -8.985 3.490
63 HA ASP 8 HA ASP 8 -1.550 -8.079 6.119
64 HB2 ASP 8 HB2 ASP 8 0.117 -9.933 5.906
65 HB3 ASP 8 HB3 ASP 8 0.757 -9.186 4.441
66 HA PRO 9 HA PRO 9 -1.110 -6.421 7.058
67 HB2 PRO 9 HB2 PRO 9 -1.270 -3.806 7.665
68 HB3 PRO 9 HB3 PRO 9 0.272 -4.539 7.199
69 HG2 PRO 9 HG2 PRO 9 -1.577 -2.820 5.573
70 HG3 PRO 9 HG3 PRO 9 0.197 -2.851 5.601
71 HD2 PRO 9 HD2 PRO 9 -1.456 -4.158 3.707
72 HD3 PRO 9 HD3 PRO 9 0.276 -4.458 3.953
73 H ARG 10 H ARG 10 -2.953 -6.606 8.196
74 HA ARG 10 HA ARG 10 -5.559 -5.795 7.112
75 HB2 ARG 10 HB2 ARG 10 -4.885 -7.342 9.654
76 HB3 ARG 10 HB3 ARG 10 -6.480 -7.197 8.910
77 HG2 ARG 10 HG2 ARG 10 -5.797 -8.534 7.014
78 HG3 ARG 10 HG3 ARG 10 -4.111 -8.512 7.541
79 HD2 ARG 10 HD2 ARG 10 -4.785 -9.775 9.591
80 HD3 ARG 10 HD3 ARG 10 -6.425 -9.884 8.944
81 HE ARG 10 HE ARG 10 -5.407 -11.094 7.016
82 HH11 ARG 10 HH11 ARG 10 -3.769 -11.178 10.070
83 HH12 ARG 10 HH12 ARG 10 -3.012 -12.696 9.724
84 HH21 ARG 10 HH21 ARG 10 -4.426 -13.015 6.618
85 HH22 ARG 10 HH22 ARG 10 -3.379 -13.714 7.807
86 H GLU 11 H GLU 11 -3.216 -4.895 9.461
87 HA GLU 11 HA GLU 11 -4.893 -3.330 11.212
88 HB2 GLU 11 HB2 GLU 11 -2.870 -4.587 11.983
89 HB3 GLU 11 HB3 GLU 11 -1.853 -3.540 11.010
90 HG2 GLU 11 HG2 GLU 11 -1.735 -2.889 13.336
91 HG3 GLU 11 HG3 GLU 11 -2.504 -1.612 12.397
92 H HIS 12 H HIS 12 -4.832 -1.063 11.468
93 HA HIS 12 HA HIS 12 -4.255 0.552 9.127
94 HB2 HIS 12 HB2 HIS 12 -5.041 2.465 10.665
95 HB3 HIS 12 HB3 HIS 12 -6.215 1.228 10.258
96 HD1 HIS 12 HD1 HIS 12 -3.848 1.992 13.154
97 HD2 HIS 12 HD2 HIS 12 -7.569 0.322 12.436
98 HE1 HIS 12 HE1 HIS 12 -4.799 1.501 15.413
99 HE2 HIS 12 HE2 HIS 12 -6.929 0.265 14.932
100 H VAL 13 H VAL 13 -2.184 0.979 8.670
101 HA VAL 13 HA VAL 13 -0.112 1.050 10.727
102 HB VAL 13 HB VAL 13 0.154 1.278 7.693
103 HG11 VAL 13 HG11 VAL 13 2.534 0.644 8.037
104 HG12 VAL 13 HG12 VAL 13 2.294 0.698 9.786
105 HG13 VAL 13 HG13 VAL 13 2.142 2.172 8.831
106 HG21 VAL 13 HG21 VAL 13 -0.880 -0.870 8.335
107 HG22 VAL 13 HG22 VAL 13 0.445 -1.194 9.455
108 HG23 VAL 13 HG23 VAL 13 0.754 -1.123 7.718
109 H PHE 14 H PHE 14 0.114 2.957 11.786
110 HA PHE 14 HA PHE 14 -0.139 5.558 10.522
111 HB2 PHE 14 HB2 PHE 14 0.766 4.729 13.314
112 HB3 PHE 14 HB3 PHE 14 0.657 6.404 12.786
113 HD1 PHE 14 HD2 PHE 14 -1.515 7.479 12.435
114 HD2 PHE 14 HD1 PHE 14 -1.285 3.416 13.752
115 HE1 PHE 14 HE2 PHE 14 -3.887 7.551 13.074
116 HE2 PHE 14 HE1 PHE 14 -3.663 3.499 14.379
117 HZ PHE 14 HZ PHE 14 -4.964 5.562 14.044
118 H VAL 15 H VAL 15 1.421 6.306 9.234
119 HA VAL 15 HA VAL 15 4.259 5.566 9.591
120 HB VAL 15 HB VAL 15 2.775 6.661 7.156
121 HG11 VAL 15 HG11 VAL 15 5.683 5.783 7.376
122 HG12 VAL 15 HG12 VAL 15 5.111 7.430 7.110
123 HG13 VAL 15 HG13 VAL 15 4.854 6.199 5.873
124 HG21 VAL 15 HG21 VAL 15 3.862 3.875 7.735
125 HG22 VAL 15 HG22 VAL 15 3.137 4.390 6.216
126 HG23 VAL 15 HG23 VAL 15 2.158 4.338 7.678
127 H HIS 16 H HIS 16 5.851 7.140 9.834
128 HA HIS 16 HA HIS 16 4.973 9.974 10.124
129 HB2 HIS 16 HB2 HIS 16 7.303 8.629 11.567
130 HB3 HIS 16 HB3 HIS 16 6.641 10.234 11.877
131 HD1 HIS 16 HD1 HIS 16 6.182 6.660 12.690
132 HD2 HIS 16 HD2 HIS 16 4.058 10.192 13.192
133 HE1 HIS 16 HE1 HIS 16 4.389 6.129 14.347
134 HE2 HIS 16 HE2 HIS 16 3.253 8.318 14.780
135 H ALA 17 H ALA 17 5.664 11.136 8.399
136 HA ALA 17 HA ALA 17 8.305 10.521 7.153
137 HB1 ALA 17 HB1 ALA 17 7.324 11.050 4.973
138 HB2 ALA 17 HB2 ALA 17 5.760 11.366 5.730
139 HB3 ALA 17 HB3 ALA 17 6.438 9.738 5.753
140 H ILE 18 H ILE 18 9.256 12.283 5.964
141 HA ILE 18 HA ILE 18 8.389 15.055 6.509
142 HB ILE 18 HB ILE 18 11.315 14.123 6.632
143 HG12 ILE 18 HG12 ILE 18 10.047 13.370 8.667
144 HG13 ILE 18 HG13 ILE 18 11.322 14.520 9.048
145 HG21 ILE 18 HG21 ILE 18 11.149 16.428 5.831
146 HG22 ILE 18 HG22 ILE 18 11.839 16.408 7.451
147 HG23 ILE 18 HG23 ILE 18 10.152 16.876 7.218
148 HD11 ILE 18 HD11 ILE 18 9.661 16.295 9.309
149 HD12 ILE 18 HD12 ILE 18 9.290 14.918 10.344
150 HD13 ILE 18 HD13 ILE 18 8.373 15.172 8.860
151 H THR 19 H THR 19 9.550 16.552 4.799
152 HA THR 19 HA THR 19 8.900 15.907 2.201
153 HB THR 19 HB THR 19 10.289 17.830 1.453
154 HG1 THR 19 HG1 THR 19 11.658 18.858 2.900
155 HG21 THR 19 HG21 THR 19 8.103 18.340 2.472
156 HG22 THR 19 HG22 THR 19 9.283 19.593 2.857
157 HG23 THR 19 HG23 THR 19 8.849 18.390 4.072
158 H SER 20 H SER 20 12.036 15.255 3.766
159 HA SER 20 HA SER 20 13.281 14.416 1.229
160 HB2 SER 20 HB2 SER 20 14.602 15.859 2.736
161 HB3 SER 20 HB3 SER 20 14.477 14.662 4.021
162 HG SER 20 HG SER 20 15.970 13.485 3.087
163 H GLU 21 H GLU 21 11.392 12.882 3.513
164 HA GLU 21 HA GLU 21 12.855 10.388 3.766
165 HB2 GLU 21 HB2 GLU 21 10.045 11.150 4.655
166 HB3 GLU 21 HB3 GLU 21 10.788 9.585 4.977
167 HG2 GLU 21 HG2 GLU 21 11.817 12.264 5.964
168 HG3 GLU 21 HG3 GLU 21 10.900 11.100 6.918
169 H CYS 22 H CYS 22 12.802 8.741 2.403
170 HA CYS 22 HA CYS 22 10.785 8.456 0.318
171 HB2 CYS 22 HB2 CYS 22 12.158 6.500 -0.396
172 HB3 CYS 22 HB3 CYS 22 13.111 7.972 -0.268
173 HG CYS 22 HG CYS 22 13.053 5.578 2.172
174 H VAL 23 H VAL 23 8.885 7.520 0.813
175 HA VAL 23 HA VAL 23 8.680 5.562 3.035
176 HB VAL 23 HB VAL 23 6.552 7.412 1.851
177 HG11 VAL 23 HG11 VAL 23 5.491 5.349 2.653
178 HG12 VAL 23 HG12 VAL 23 5.098 6.684 3.736
179 HG13 VAL 23 HG13 VAL 23 6.316 5.496 4.206
180 HG21 VAL 23 HG21 VAL 23 6.674 8.609 4.019
181 HG22 VAL 23 HG22 VAL 23 8.224 8.639 3.178
182 HG23 VAL 23 HG23 VAL 23 7.982 7.542 4.537
183 H MET 24 H MET 24 8.130 3.477 2.537
184 HA MET 24 HA MET 24 6.648 2.942 0.024
185 HB2 MET 24 HB2 MET 24 8.585 1.074 1.443
186 HB3 MET 24 HB3 MET 24 7.629 0.659 0.025
187 HG2 MET 24 HG2 MET 24 9.489 1.260 -1.124
188 HG3 MET 24 HG3 MET 24 8.931 2.906 -0.863
189 HE1 MET 24 HE1 MET 24 11.441 0.124 0.095
190 HE2 MET 24 HE2 MET 24 10.598 0.278 1.638
191 HE3 MET 24 HE3 MET 24 12.280 0.791 1.498
192 H LEU 25 H LEU 25 4.600 3.001 0.745
193 HA LEU 25 HA LEU 25 3.585 1.505 3.014
194 HB2 LEU 25 HB2 LEU 25 2.068 2.678 0.643
195 HB3 LEU 25 HB3 LEU 25 1.374 2.189 2.183
196 HG LEU 25 HG LEU 25 3.290 4.521 1.775
197 HD11 LEU 25 HD11 LEU 25 1.365 5.959 2.237
198 HD12 LEU 25 HD12 LEU 25 0.308 4.548 2.326
199 HD13 LEU 25 HD13 LEU 25 1.091 4.973 0.803
200 HD21 LEU 25 HD21 LEU 25 3.568 3.542 3.999
201 HD22 LEU 25 HD22 LEU 25 1.827 3.633 4.284
202 HD23 LEU 25 HD23 LEU 25 2.777 5.112 4.108
203 H ALA 26 H ALA 26 3.482 -0.731 2.900
204 HA ALA 26 HA ALA 26 3.258 -2.051 0.256
205 HB1 ALA 26 HB1 ALA 26 4.164 -4.041 1.370
206 HB2 ALA 26 HB2 ALA 26 4.152 -3.196 2.920
207 HB3 ALA 26 HB3 ALA 26 5.213 -2.645 1.623
208 H CYS 27 H CYS 27 1.698 -3.598 -0.167
209 HA CYS 27 HA CYS 27 -0.249 -4.457 1.811
210 HB2 CYS 27 HB2 CYS 27 -1.250 -2.351 0.954
211 HB3 CYS 27 HB3 CYS 27 -1.168 -2.978 -0.690
212 HG CYS 27 HG CYS 27 -3.458 -3.490 1.665
213 H GLU 28 H GLU 28 -1.178 -6.422 1.318
214 HA GLU 28 HA GLU 28 -0.604 -7.743 -1.245
215 HB2 GLU 28 HB2 GLU 28 1.359 -8.203 0.238
216 HB3 GLU 28 HB3 GLU 28 0.278 -8.894 1.443
217 HG2 GLU 28 HG2 GLU 28 -0.413 -10.584 -0.376
218 HG3 GLU 28 HG3 GLU 28 0.964 -9.992 -1.306
219 H VAL 29 H VAL 29 -2.051 -9.353 -1.758
220 HA VAL 29 HA VAL 29 -4.294 -9.860 0.128
221 HB VAL 29 HB VAL 29 -5.806 -9.954 -1.893
222 HG11 VAL 29 HG11 VAL 29 -5.971 -7.503 -2.207
223 HG12 VAL 29 HG12 VAL 29 -4.391 -7.296 -1.451
224 HG13 VAL 29 HG13 VAL 29 -5.745 -7.927 -0.510
225 HG21 VAL 29 HG21 VAL 29 -5.034 -8.947 -4.027
226 HG22 VAL 29 HG22 VAL 29 -4.112 -10.398 -3.633
227 HG23 VAL 29 HG23 VAL 29 -3.399 -8.806 -3.373
228 H ASP 30 H ASP 30 -5.600 -11.738 -0.463
229 HA ASP 30 HA ASP 30 -4.126 -14.152 -0.632
230 HB2 ASP 30 HB2 ASP 30 -6.114 -14.034 0.706
231 HB3 ASP 30 HB3 ASP 30 -7.076 -13.425 -0.633
232 H ARG 31 H ARG 31 -5.961 -12.304 -3.035
233 HA ARG 31 HA ARG 31 -5.882 -14.480 -5.019
234 HB2 ARG 31 HB2 ARG 31 -7.660 -12.203 -4.471
235 HB3 ARG 31 HB3 ARG 31 -7.224 -12.253 -6.166
236 HG2 ARG 31 HG2 ARG 31 -8.301 -14.701 -4.749
237 HG3 ARG 31 HG3 ARG 31 -9.370 -13.471 -5.430
238 HD2 ARG 31 HD2 ARG 31 -7.279 -15.025 -6.996
239 HD3 ARG 31 HD3 ARG 31 -9.011 -15.371 -6.986
240 HE ARG 31 HE ARG 31 -7.656 -13.165 -8.328
241 HH11 ARG 31 HH11 ARG 31 -10.726 -14.499 -7.433
242 HH12 ARG 31 HH12 ARG 31 -11.590 -13.514 -8.558
243 HH21 ARG 31 HH21 ARG 31 -8.813 -11.917 -9.755
244 HH22 ARG 31 HH22 ARG 31 -10.530 -12.077 -9.831
245 H GLU 32 H GLU 32 -4.319 -14.562 -6.490
246 HA GLU 32 HA GLU 32 -2.339 -12.535 -6.871
247 HB2 GLU 32 HB2 GLU 32 -2.877 -15.034 -8.540
248 HB3 GLU 32 HB3 GLU 32 -1.431 -14.035 -8.634
249 HG2 GLU 32 HG2 GLU 32 -0.853 -15.971 -7.389
250 HG3 GLU 32 HG3 GLU 32 -0.933 -14.634 -6.247
251 H ASP 33 H ASP 33 -5.144 -13.612 -8.735
252 HA ASP 33 HA ASP 33 -4.662 -12.015 -11.076
253 HB2 ASP 33 HB2 ASP 33 -5.931 -14.136 -11.138
254 HB3 ASP 33 HB3 ASP 33 -7.164 -13.452 -10.087
255 H ALA 34 H ALA 34 -5.901 -11.215 -7.981
256 HA ALA 34 HA ALA 34 -7.331 -8.811 -8.989
257 HB1 ALA 34 HB1 ALA 34 -8.818 -10.414 -7.853
258 HB2 ALA 34 HB2 ALA 34 -8.697 -8.894 -6.965
259 HB3 ALA 34 HB3 ALA 34 -7.817 -10.317 -6.402
260 HA PRO 35 HA PRO 35 -3.848 -6.849 -6.605
261 HB2 PRO 35 HB2 PRO 35 -3.657 -4.610 -8.138
262 HB3 PRO 35 HB3 PRO 35 -2.922 -6.143 -8.628
263 HG2 PRO 35 HG2 PRO 35 -5.569 -4.956 -9.493
264 HG3 PRO 35 HG3 PRO 35 -4.273 -5.646 -10.500
265 HD2 PRO 35 HD2 PRO 35 -6.473 -7.088 -9.801
266 HD3 PRO 35 HD3 PRO 35 -4.877 -7.846 -9.995
267 H VAL 36 H VAL 36 -3.765 -4.583 -5.617
268 HA VAL 36 HA VAL 36 -6.399 -3.891 -4.509
269 HB VAL 36 HB VAL 36 -5.278 -2.782 -2.714
270 HG11 VAL 36 HG11 VAL 36 -5.148 -5.238 -2.569
271 HG12 VAL 36 HG12 VAL 36 -3.748 -4.489 -1.803
272 HG13 VAL 36 HG13 VAL 36 -3.590 -5.218 -3.405
273 HG21 VAL 36 HG21 VAL 36 -2.827 -2.331 -2.642
274 HG22 VAL 36 HG22 VAL 36 -3.627 -1.450 -3.942
275 HG23 VAL 36 HG23 VAL 36 -2.688 -2.896 -4.309
276 H ARG 37 H ARG 37 -7.108 -1.680 -4.345
277 HA ARG 37 HA ARG 37 -6.196 0.124 -6.510
278 HB2 ARG 37 HB2 ARG 37 -8.793 0.095 -4.904
279 HB3 ARG 37 HB3 ARG 37 -8.351 1.389 -6.005
280 HG2 ARG 37 HG2 ARG 37 -9.883 0.037 -7.185
281 HG3 ARG 37 HG3 ARG 37 -8.303 -0.337 -7.869
282 HD2 ARG 37 HD2 ARG 37 -8.223 -2.447 -6.702
283 HD3 ARG 37 HD3 ARG 37 -9.650 -2.033 -5.743
284 HE ARG 37 HE ARG 37 -10.241 -1.980 -8.519
285 HH11 ARG 37 HH11 ARG 37 -9.768 -4.229 -5.933
286 HH12 ARG 37 HH12 ARG 37 -10.747 -5.441 -6.680
287 HH21 ARG 37 HH21 ARG 37 -11.494 -3.537 -9.442
288 HH22 ARG 37 HH22 ARG 37 -11.720 -5.050 -8.632
289 H TRP 38 H TRP 38 -4.733 1.612 -5.834
290 HA TRP 38 HA TRP 38 -4.513 2.389 -3.020
291 HB2 TRP 38 HB2 TRP 38 -2.825 2.983 -5.490
292 HB3 TRP 38 HB3 TRP 38 -2.525 3.772 -3.950
293 HD1 TRP 38 HD1 TRP 38 -1.934 0.494 -5.765
294 HE1 TRP 38 HE1 TRP 38 -0.463 -1.012 -4.296
295 HE3 TRP 38 HE3 TRP 38 -2.047 3.208 -1.433
296 HZ2 TRP 38 HZ2 TRP 38 0.512 -1.071 -1.652
297 HZ3 TRP 38 HZ3 TRP 38 -0.820 2.358 0.528
298 HH2 TRP 38 HH2 TRP 38 0.434 0.261 0.416
299 H TYR 39 H TYR 39 -5.676 4.054 -2.240
300 HA TYR 39 HA TYR 39 -6.471 6.299 -4.026
301 HB2 TYR 39 HB2 TYR 39 -7.921 5.092 -1.634
302 HB3 TYR 39 HB3 TYR 39 -8.403 6.615 -2.384
303 HD1 TYR 39 HD2 TYR 39 -8.494 6.369 -5.143
304 HD2 TYR 39 HD1 TYR 39 -9.233 3.232 -2.325
305 HE1 TYR 39 HE2 TYR 39 -9.835 5.181 -6.817
306 HE2 TYR 39 HE1 TYR 39 -10.574 2.050 -4.018
307 HH TYR 39 HH TYR 39 -11.861 2.595 -6.054
308 H LYS 40 H LYS 40 -5.801 8.266 -3.584
309 HA LYS 40 HA LYS 40 -4.601 9.053 -1.008
310 HB2 LYS 40 HB2 LYS 40 -3.442 9.511 -3.178
311 HB3 LYS 40 HB3 LYS 40 -4.808 10.473 -3.712
312 HG2 LYS 40 HG2 LYS 40 -4.301 12.215 -2.132
313 HG3 LYS 40 HG3 LYS 40 -3.105 11.214 -1.308
314 HD2 LYS 40 HD2 LYS 40 -2.799 12.041 -4.227
315 HD3 LYS 40 HD3 LYS 40 -2.201 13.036 -2.896
316 HE2 LYS 40 HE2 LYS 40 -0.664 11.319 -2.186
317 HE3 LYS 40 HE3 LYS 40 -1.371 10.136 -3.291
318 HZ1 LYS 40 HZ1 LYS 40 0.025 12.602 -4.143
319 HZ2 LYS 40 HZ2 LYS 40 -0.491 11.337 -5.142
320 HZ3 LYS 40 HZ3 LYS 40 0.760 11.091 -4.023
321 H ASP 41 H ASP 41 -5.315 11.642 -0.625
322 HA ASP 41 HA ASP 41 -7.738 11.686 0.616
323 HB2 ASP 41 HB2 ASP 41 -5.892 13.341 0.917
324 HB3 ASP 41 HB3 ASP 41 -6.349 14.104 -0.600
325 H GLY 42 H GLY 42 -9.482 10.898 -0.496
326 HA2 GLY 42 HA2 GLY 42 -11.457 10.961 -1.668
327 HA3 GLY 42 HA3 GLY 42 -11.186 12.675 -1.888
328 H GLN 43 H GLN 43 -8.942 10.260 -3.144
329 HA GLN 43 HA GLN 43 -9.956 10.182 -5.848
330 HB2 GLN 43 HB2 GLN 43 -8.151 11.544 -6.897
331 HB3 GLN 43 HB3 GLN 43 -9.136 12.513 -5.809
332 HG2 GLN 43 HG2 GLN 43 -7.337 12.203 -4.044
333 HG3 GLN 43 HG3 GLN 43 -6.339 11.460 -5.294
334 HE21 GLN 43 HE21 GLN 43 -7.739 14.421 -4.131
335 HE22 GLN 43 HE22 GLN 43 -6.830 15.492 -5.137
336 H GLU 44 H GLU 44 -7.965 9.405 -7.370
337 HA GLU 44 HA GLU 44 -6.697 7.068 -6.274
338 HB2 GLU 44 HB2 GLU 44 -7.360 7.511 -8.731
339 HB3 GLU 44 HB3 GLU 44 -5.933 8.523 -8.847
340 HG2 GLU 44 HG2 GLU 44 -5.348 6.426 -9.793
341 HG3 GLU 44 HG3 GLU 44 -4.558 6.485 -8.217
342 H VAL 45 H VAL 45 -4.228 6.775 -6.270
343 HA VAL 45 HA VAL 45 -2.970 8.819 -4.739
344 HB VAL 45 HB VAL 45 -1.935 6.220 -5.924
345 HG11 VAL 45 HG11 VAL 45 0.030 7.684 -5.831
346 HG12 VAL 45 HG12 VAL 45 0.131 6.469 -4.561
347 HG13 VAL 45 HG13 VAL 45 -0.337 8.126 -4.164
348 HG21 VAL 45 HG21 VAL 45 -2.471 7.110 -3.063
349 HG22 VAL 45 HG22 VAL 45 -1.939 5.502 -3.566
350 HG23 VAL 45 HG23 VAL 45 -3.527 6.095 -4.044
351 H GLU 46 H GLU 46 -3.050 8.312 -8.172
352 HA GLU 46 HA GLU 46 -2.422 9.583 -9.945
353 HB2 GLU 46 HB2 GLU 46 -1.831 11.742 -7.871
354 HB3 GLU 46 HB3 GLU 46 -2.008 12.017 -9.599
355 HG2 GLU 46 HG2 GLU 46 -4.231 10.968 -7.814
356 HG3 GLU 46 HG3 GLU 46 -3.985 12.674 -8.179
357 H GLU 47 H GLU 47 -0.583 8.403 -10.639
358 HA GLU 47 HA GLU 47 2.005 8.659 -9.437
359 HB2 GLU 47 HB2 GLU 47 1.308 7.503 -12.170
360 HB3 GLU 47 HB3 GLU 47 2.853 7.336 -11.352
361 HG2 GLU 47 HG2 GLU 47 1.873 5.291 -10.899
362 HG3 GLU 47 HG3 GLU 47 1.473 6.199 -9.448
363 H SER 48 H SER 48 2.429 10.870 -9.389
364 HA SER 48 HA SER 48 2.892 12.297 -11.952
365 HB2 SER 48 HB2 SER 48 2.136 13.452 -9.231
366 HB3 SER 48 HB3 SER 48 2.390 14.388 -10.705
367 HG SER 48 HG SER 48 0.390 12.396 -10.305
368 H ASP 49 H ASP 49 5.068 11.859 -12.242
369 HA ASP 49 HA ASP 49 7.301 12.060 -12.134
370 HB2 ASP 49 HB2 ASP 49 6.656 14.504 -10.424
371 HB3 ASP 49 HB3 ASP 49 8.237 14.170 -11.128
372 H PHE 50 H PHE 50 6.709 13.203 -8.801
373 HA PHE 50 HA PHE 50 8.764 11.591 -7.627
374 HB2 PHE 50 HB2 PHE 50 6.493 13.038 -6.185
375 HB3 PHE 50 HB3 PHE 50 8.039 12.547 -5.496
376 HD1 PHE 50 HD1 PHE 50 10.180 13.652 -6.433
377 HD2 PHE 50 HD2 PHE 50 6.257 15.197 -7.180
378 HE1 PHE 50 HE1 PHE 50 11.146 15.836 -7.038
379 HE2 PHE 50 HE2 PHE 50 7.237 17.376 -7.775
380 HZ PHE 50 HZ PHE 50 9.679 17.696 -7.707
381 H VAL 51 H VAL 51 5.228 11.403 -7.794
382 HA VAL 51 HA VAL 51 4.969 9.179 -5.997
383 HB VAL 51 HB VAL 51 2.918 10.194 -8.021
384 HG11 VAL 51 HG11 VAL 51 1.245 9.215 -6.486
385 HG12 VAL 51 HG12 VAL 51 2.542 8.620 -5.447
386 HG13 VAL 51 HG13 VAL 51 2.365 7.989 -7.084
387 HG21 VAL 51 HG21 VAL 51 3.318 11.110 -5.149
388 HG22 VAL 51 HG22 VAL 51 2.003 11.607 -6.217
389 HG23 VAL 51 HG23 VAL 51 3.667 12.058 -6.595
390 H VAL 52 H VAL 52 5.481 7.106 -6.497
391 HA VAL 52 HA VAL 52 4.849 6.037 -9.198
392 HB VAL 52 HB VAL 52 6.875 4.609 -9.151
393 HG11 VAL 52 HG11 VAL 52 7.574 7.556 -8.842
394 HG12 VAL 52 HG12 VAL 52 7.043 6.764 -10.326
395 HG13 VAL 52 HG13 VAL 52 8.592 6.331 -9.606
396 HG21 VAL 52 HG21 VAL 52 8.709 4.998 -7.514
397 HG22 VAL 52 HG22 VAL 52 7.247 4.399 -6.734
398 HG23 VAL 52 HG23 VAL 52 7.664 6.108 -6.618
399 H LEU 53 H LEU 53 3.979 3.972 -9.245
400 HA LEU 53 HA LEU 53 3.441 2.611 -6.658
401 HB2 LEU 53 HB2 LEU 53 1.708 2.709 -9.164
402 HB3 LEU 53 HB3 LEU 53 1.383 1.675 -7.781
403 HG LEU 53 HG LEU 53 1.339 4.725 -7.775
404 HD11 LEU 53 HD11 LEU 53 -0.614 3.751 -8.896
405 HD12 LEU 53 HD12 LEU 53 -1.067 4.515 -7.375
406 HD13 LEU 53 HD13 LEU 53 -0.951 2.755 -7.476
407 HD21 LEU 53 HD21 LEU 53 2.155 3.912 -5.620
408 HD22 LEU 53 HD22 LEU 53 0.782 2.811 -5.484
409 HD23 LEU 53 HD23 LEU 53 0.525 4.558 -5.454
410 H GLU 54 H GLU 54 4.399 0.703 -6.438
411 HA GLU 54 HA GLU 54 5.526 -0.734 -8.749
412 HB2 GLU 54 HB2 GLU 54 6.013 -1.088 -5.759
413 HB3 GLU 54 HB3 GLU 54 6.855 -1.965 -7.035
414 HG2 GLU 54 HG2 GLU 54 6.986 1.022 -6.515
415 HG3 GLU 54 HG3 GLU 54 8.237 -0.157 -6.129
416 H ASN 55 H ASN 55 5.223 -2.987 -9.034
417 HA ASN 55 HA ASN 55 2.859 -4.219 -7.766
418 HB2 ASN 55 HB2 ASN 55 1.877 -4.794 -9.920
419 HB3 ASN 55 HB3 ASN 55 2.112 -3.059 -9.842
420 HD21 ASN 55 HD21 ASN 55 4.900 -2.979 -10.590
421 HD22 ASN 55 HD22 ASN 55 4.994 -3.474 -12.233
422 H GLU 56 H GLU 56 2.779 -6.486 -7.813
423 HA GLU 56 HA GLU 56 4.640 -8.167 -9.185
424 HB2 GLU 56 HB2 GLU 56 6.177 -7.237 -7.441
425 HB3 GLU 56 HB3 GLU 56 5.103 -7.827 -6.183
426 HG2 GLU 56 HG2 GLU 56 7.054 -9.275 -6.414
427 HG3 GLU 56 HG3 GLU 56 5.581 -10.147 -6.828
428 H GLY 57 H GLY 57 2.459 -8.950 -9.718
429 HA2 GLY 57 HA2 GLY 57 0.667 -10.378 -9.584
430 HA3 GLY 57 HA3 GLY 57 1.582 -11.246 -8.370
431 HA PRO 58 HA PRO 58 -1.762 -9.701 -5.597
432 HB2 PRO 58 HB2 PRO 58 -1.213 -11.237 -3.436
433 HB3 PRO 58 HB3 PRO 58 -1.943 -11.931 -4.893
434 HG2 PRO 58 HG2 PRO 58 0.955 -11.954 -4.038
435 HG3 PRO 58 HG3 PRO 58 -0.039 -13.299 -4.642
436 HD2 PRO 58 HD2 PRO 58 1.689 -11.889 -6.243
437 HD3 PRO 58 HD3 PRO 58 0.203 -12.645 -6.863
438 H HIS 59 H HIS 59 1.661 -9.446 -5.266
439 HA HIS 59 HA HIS 59 1.680 -7.835 -2.826
440 HB2 HIS 59 HB2 HIS 59 4.020 -8.284 -4.725
441 HB3 HIS 59 HB3 HIS 59 4.082 -7.816 -3.029
442 HD1 HIS 59 HD1 HIS 59 3.694 -9.749 -1.268
443 HD2 HIS 59 HD2 HIS 59 3.891 -11.035 -5.215
444 HE1 HIS 59 HE1 HIS 59 4.054 -12.225 -1.160
445 HE2 HIS 59 HE2 HIS 59 4.223 -12.971 -3.549
446 H ARG 60 H ARG 60 1.553 -5.689 -2.810
447 HA ARG 60 HA ARG 60 2.128 -4.007 -5.169
448 HB2 ARG 60 HB2 ARG 60 -0.427 -4.037 -3.501
449 HB3 ARG 60 HB3 ARG 60 0.051 -2.608 -4.409
450 HG2 ARG 60 HG2 ARG 60 -0.389 -5.322 -5.698
451 HG3 ARG 60 HG3 ARG 60 -1.659 -4.104 -5.533
452 HD2 ARG 60 HD2 ARG 60 -0.374 -2.528 -6.902
453 HD3 ARG 60 HD3 ARG 60 0.979 -3.663 -6.989
454 HE ARG 60 HE ARG 60 -0.771 -5.183 -8.117
455 HH11 ARG 60 HH11 ARG 60 -0.762 -1.755 -8.532
456 HH12 ARG 60 HH12 ARG 60 -1.344 -1.853 -10.154
457 HH21 ARG 60 HH21 ARG 60 -1.456 -5.265 -10.208
458 HH22 ARG 60 HH22 ARG 60 -1.704 -3.799 -11.093
459 H ARG 61 H ARG 61 2.892 -1.895 -4.614
460 HA ARG 61 HA ARG 61 2.768 -0.974 -1.884
461 HB2 ARG 61 HB2 ARG 61 5.322 -0.653 -1.696
462 HB3 ARG 61 HB3 ARG 61 4.663 -2.255 -1.409
463 HG2 ARG 61 HG2 ARG 61 5.374 -3.008 -3.619
464 HG3 ARG 61 HG3 ARG 61 5.962 -1.381 -4.006
465 HD2 ARG 61 HD2 ARG 61 7.816 -2.885 -3.328
466 HD3 ARG 61 HD3 ARG 61 7.638 -1.523 -2.221
467 HE ARG 61 HE ARG 61 6.286 -3.999 -1.468
468 HH11 ARG 61 HH11 ARG 61 9.114 -2.037 -1.007
469 HH12 ARG 61 HH12 ARG 61 9.518 -2.825 0.479
470 HH21 ARG 61 HH21 ARG 61 6.832 -4.941 0.425
471 HH22 ARG 61 HH22 ARG 61 8.259 -4.441 1.267
472 H LEU 62 H LEU 62 2.552 1.090 -1.795
473 HA LEU 62 HA LEU 62 3.019 2.935 -3.963
474 HB2 LEU 62 HB2 LEU 62 1.113 2.949 -2.252
475 HB3 LEU 62 HB3 LEU 62 2.269 3.491 -1.054
476 HG LEU 62 HG LEU 62 1.529 5.077 -3.560
477 HD11 LEU 62 HD11 LEU 62 0.482 5.421 -0.735
478 HD12 LEU 62 HD12 LEU 62 -0.429 4.795 -2.110
479 HD13 LEU 62 HD13 LEU 62 0.127 6.466 -2.114
480 HD21 LEU 62 HD21 LEU 62 2.509 7.016 -2.392
481 HD22 LEU 62 HD22 LEU 62 3.709 5.759 -2.668
482 HD23 LEU 62 HD23 LEU 62 3.012 5.968 -1.061
483 H VAL 63 H VAL 63 5.047 3.751 -4.354
484 HA VAL 63 HA VAL 63 6.920 4.154 -2.080
485 HB VAL 63 HB VAL 63 7.580 3.817 -5.042
486 HG11 VAL 63 HG11 VAL 63 9.219 5.278 -3.932
487 HG12 VAL 63 HG12 VAL 63 9.953 3.726 -4.335
488 HG13 VAL 63 HG13 VAL 63 9.474 4.070 -2.671
489 HG21 VAL 63 HG21 VAL 63 8.546 1.626 -4.417
490 HG22 VAL 63 HG22 VAL 63 6.826 1.688 -4.040
491 HG23 VAL 63 HG23 VAL 63 8.016 1.856 -2.748
492 H LEU 64 H LEU 64 7.580 6.193 -1.615
493 HA LEU 64 HA LEU 64 7.144 8.408 -3.508
494 HB2 LEU 64 HB2 LEU 64 5.523 7.980 -1.229
495 HB3 LEU 64 HB3 LEU 64 6.652 9.203 -0.698
496 HG LEU 64 HG LEU 64 4.712 10.349 -1.488
497 HD11 LEU 64 HD11 LEU 64 5.524 11.746 -3.310
498 HD12 LEU 64 HD12 LEU 64 6.782 10.564 -3.695
499 HD13 LEU 64 HD13 LEU 64 6.810 11.420 -2.151
500 HD21 LEU 64 HD21 LEU 64 4.881 8.734 -4.049
501 HD22 LEU 64 HD22 LEU 64 3.722 10.024 -3.712
502 HD23 LEU 64 HD23 LEU 64 3.688 8.543 -2.759
503 HA PRO 65 HA PRO 65 11.593 8.489 -2.150
504 HB2 PRO 65 HB2 PRO 65 12.386 10.229 -4.190
505 HB3 PRO 65 HB3 PRO 65 12.299 8.471 -4.346
506 HG2 PRO 65 HG2 PRO 65 10.251 10.535 -5.148
507 HG3 PRO 65 HG3 PRO 65 10.843 9.135 -6.070
508 HD2 PRO 65 HD2 PRO 65 8.496 9.009 -4.800
509 HD3 PRO 65 HD3 PRO 65 9.584 7.603 -4.782
510 H ALA 66 H ALA 66 9.649 11.368 -3.023
511 HA ALA 66 HA ALA 66 10.797 12.824 -0.697
512 HB1 ALA 66 HB1 ALA 66 10.577 14.927 -1.964
513 HB2 ALA 66 HB2 ALA 66 9.984 14.036 -3.370
514 HB3 ALA 66 HB3 ALA 66 11.638 13.796 -2.807
515 H THR 67 H THR 67 9.089 12.227 0.693
516 HA THR 67 HA THR 67 6.313 12.398 -0.177
517 HB THR 67 HB THR 67 7.289 11.756 2.646
518 HG1 THR 67 HG1 THR 67 8.207 10.381 0.917
519 HG21 THR 67 HG21 THR 67 5.171 10.489 2.807
520 HG22 THR 67 HG22 THR 67 4.749 10.956 1.158
521 HG23 THR 67 HG23 THR 67 4.844 12.180 2.424
522 H GLN 68 H GLN 68 5.726 14.492 -0.476
523 HA GLN 68 HA GLN 68 6.434 16.691 1.243
524 HB2 GLN 68 HB2 GLN 68 4.424 16.520 -1.045
525 HB3 GLN 68 HB3 GLN 68 4.974 18.020 -0.302
526 HG2 GLN 68 HG2 GLN 68 7.269 17.590 -1.094
527 HG3 GLN 68 HG3 GLN 68 6.751 16.052 -1.789
528 HE21 GLN 68 HE21 GLN 68 7.415 16.690 -3.862
529 HE22 GLN 68 HE22 GLN 68 6.561 17.864 -4.795
530 HA PRO 69 HA PRO 69 2.863 16.527 4.110
531 HB2 PRO 69 HB2 PRO 69 2.919 19.108 5.049
532 HB3 PRO 69 HB3 PRO 69 4.108 17.890 5.525
533 HG2 PRO 69 HG2 PRO 69 4.343 20.045 3.426
534 HG3 PRO 69 HG3 PRO 69 5.511 19.572 4.682
535 HD2 PRO 69 HD2 PRO 69 5.741 18.725 2.113
536 HD3 PRO 69 HD3 PRO 69 6.241 17.708 3.480
537 H SER 70 H SER 70 1.698 16.340 1.902
538 HA SER 70 HA SER 70 -0.570 17.941 1.577
539 HB2 SER 70 HB2 SER 70 -0.007 19.100 -0.596
540 HB3 SER 70 HB3 SER 70 0.972 19.704 0.743
541 HG SER 70 HG SER 70 2.075 19.165 -1.317
542 H ASP 71 H ASP 71 1.929 16.079 -0.083
543 HA ASP 71 HA ASP 71 0.162 14.571 -1.788
544 HB2 ASP 71 HB2 ASP 71 2.676 15.140 -2.166
545 HB3 ASP 71 HB3 ASP 71 3.030 13.853 -1.018
546 H GLY 72 H GLY 72 2.099 13.836 1.118
547 HA2 GLY 72 HA2 GLY 72 1.086 11.283 1.745
548 HA3 GLY 72 HA3 GLY 72 1.870 12.377 2.871
549 H GLY 73 H GLY 73 -0.380 10.591 3.355
550 HA2 GLY 73 HA2 GLY 73 -2.109 12.082 4.930
551 HA3 GLY 73 HA3 GLY 73 -2.884 11.978 3.352
552 H GLU 74 H GLU 74 -4.619 10.758 4.311
553 HA GLU 74 HA GLU 74 -4.034 8.100 5.411
554 HB2 GLU 74 HB2 GLU 74 -6.686 9.544 4.991
555 HB3 GLU 74 HB3 GLU 74 -6.501 7.989 5.803
556 HG2 GLU 74 HG2 GLU 74 -5.215 9.016 7.595
557 HG3 GLU 74 HG3 GLU 74 -5.198 10.563 6.750
558 H PHE 75 H PHE 75 -3.339 6.822 3.749
559 HA PHE 75 HA PHE 75 -4.724 6.664 1.189
560 HB2 PHE 75 HB2 PHE 75 -2.227 5.246 2.224
561 HB3 PHE 75 HB3 PHE 75 -2.858 5.094 0.584
562 HD1 PHE 75 HD1 PHE 75 -2.838 7.064 -0.952
563 HD2 PHE 75 HD2 PHE 75 -0.951 7.214 2.881
564 HE1 PHE 75 HE1 PHE 75 -1.573 9.048 -1.643
565 HE2 PHE 75 HE2 PHE 75 0.312 9.201 2.175
566 HZ PHE 75 HZ PHE 75 0.005 10.121 -0.088
567 H GLN 76 H GLN 76 -5.660 4.777 0.357
568 HA GLN 76 HA GLN 76 -6.393 2.643 2.277
569 HB2 GLN 76 HB2 GLN 76 -8.145 4.403 2.296
570 HB3 GLN 76 HB3 GLN 76 -8.347 4.228 0.556
571 HG2 GLN 76 HG2 GLN 76 -9.132 1.907 0.881
572 HG3 GLN 76 HG3 GLN 76 -8.915 2.077 2.625
573 HE21 GLN 76 HE21 GLN 76 -10.835 3.072 -0.126
574 HE22 GLN 76 HE22 GLN 76 -12.170 3.671 0.782
575 H CYS 77 H CYS 77 -5.966 0.713 1.410
576 HA CYS 77 HA CYS 77 -5.862 0.299 -1.508
577 HB2 CYS 77 HB2 CYS 77 -4.991 -1.511 0.784
578 HB3 CYS 77 HB3 CYS 77 -4.748 -1.842 -0.931
579 HG CYS 77 HG CYS 77 -3.472 1.042 -0.531
580 H VAL 78 H VAL 78 -8.045 0.046 -2.141
581 HA VAL 78 HA VAL 78 -9.810 -1.762 -0.668
582 HB VAL 78 HB VAL 78 -10.340 -0.286 -3.293
583 HG11 VAL 78 HG11 VAL 78 -12.281 -1.701 -1.410
584 HG12 VAL 78 HG12 VAL 78 -11.832 -2.229 -3.032
585 HG13 VAL 78 HG13 VAL 78 -12.744 -0.737 -2.816
586 HG21 VAL 78 HG21 VAL 78 -9.911 1.289 -1.439
587 HG22 VAL 78 HG22 VAL 78 -11.120 0.474 -0.443
588 HG23 VAL 78 HG23 VAL 78 -11.612 1.329 -1.906
589 H ALA 79 H ALA 79 -9.981 -3.872 -1.074
590 HA ALA 79 HA ALA 79 -9.289 -5.003 -3.707
591 HB1 ALA 79 HB1 ALA 79 -7.916 -6.750 -2.668
592 HB2 ALA 79 HB2 ALA 79 -8.167 -6.026 -1.077
593 HB3 ALA 79 HB3 ALA 79 -7.264 -5.149 -2.312
594 H GLY 80 H GLY 80 -11.536 -5.317 -4.004
595 HA2 GLY 80 HA2 GLY 80 -13.240 -6.811 -4.308
596 HA3 GLY 80 HA3 GLY 80 -12.425 -7.928 -3.229
597 H ASP 81 H ASP 81 -12.677 -7.598 -0.916
598 HA ASP 81 HA ASP 81 -15.358 -6.526 -0.256
599 HB2 ASP 81 HB2 ASP 81 -13.800 -8.688 1.227
600 HB3 ASP 81 HB3 ASP 81 -15.489 -8.244 1.470
601 H GLU 82 H GLU 82 -11.962 -6.371 0.593
602 HA GLU 82 HA GLU 82 -12.545 -4.858 3.089
603 HB2 GLU 82 HB2 GLU 82 -10.130 -6.600 2.437
604 HB3 GLU 82 HB3 GLU 82 -10.374 -5.708 3.938
605 HG2 GLU 82 HG2 GLU 82 -12.391 -7.080 4.401
606 HG3 GLU 82 HG3 GLU 82 -12.093 -7.994 2.924
607 H CYS 83 H CYS 83 -10.471 -3.567 3.784
608 HA CYS 83 HA CYS 83 -8.990 -2.279 1.647
609 HB2 CYS 83 HB2 CYS 83 -9.818 0.019 2.196
610 HB3 CYS 83 HB3 CYS 83 -11.071 -1.011 1.512
611 HG CYS 83 HG CYS 83 -10.894 -0.923 4.874
612 H ALA 84 H ALA 84 -6.985 -1.784 2.378
613 HA ALA 84 HA ALA 84 -6.382 -1.872 5.260
614 HB1 ALA 84 HB1 ALA 84 -4.512 -1.840 2.858
615 HB2 ALA 84 HB2 ALA 84 -5.043 -3.278 3.731
616 HB3 ALA 84 HB3 ALA 84 -4.030 -2.083 4.541
617 H TYR 85 H TYR 85 -5.460 -0.129 6.400
618 HA TYR 85 HA TYR 85 -5.718 2.531 5.090
619 HB2 TYR 85 HB2 TYR 85 -5.964 1.860 8.052
620 HB3 TYR 85 HB3 TYR 85 -6.267 3.426 7.307
621 HD1 TYR 85 HD1 TYR 85 -8.223 3.608 5.614
622 HD2 TYR 85 HD2 TYR 85 -7.740 0.248 8.225
623 HE1 TYR 85 HE1 TYR 85 -10.582 3.003 5.279
624 HE2 TYR 85 HE2 TYR 85 -10.105 -0.344 7.887
625 HH TYR 85 HH TYR 85 -12.036 1.082 5.439
626 H PHE 86 H PHE 86 -4.067 3.980 5.165
627 HA PHE 86 HA PHE 86 -1.646 3.472 6.806
628 HB2 PHE 86 HB2 PHE 86 -1.618 4.361 3.873
629 HB3 PHE 86 HB3 PHE 86 -0.206 4.098 4.892
630 HD1 PHE 86 HD2 PHE 86 0.486 1.787 5.503
631 HD2 PHE 86 HD1 PHE 86 -2.793 2.486 2.840
632 HE1 PHE 86 HE2 PHE 86 0.564 -0.560 4.776
633 HE2 PHE 86 HE1 PHE 86 -2.709 0.133 2.134
634 HZ PHE 86 HZ PHE 86 -1.033 -1.390 3.095
635 H THR 87 H THR 87 -1.562 5.231 8.172
636 HA THR 87 HA THR 87 -2.612 7.849 7.238
637 HB THR 87 HB THR 87 -2.165 6.893 10.107
638 HG1 THR 87 HG1 THR 87 -3.891 5.858 8.815
639 HG21 THR 87 HG21 THR 87 -2.086 9.365 9.916
640 HG22 THR 87 HG22 THR 87 -3.550 8.841 10.746
641 HG23 THR 87 HG23 THR 87 -3.631 9.349 9.060
642 H VAL 88 H VAL 88 -0.937 8.934 6.346
643 HA VAL 88 HA VAL 88 1.770 8.779 7.470
644 HB VAL 88 HB VAL 88 0.827 10.089 4.873
645 HG11 VAL 88 HG11 VAL 88 3.648 9.413 5.807
646 HG12 VAL 88 HG12 VAL 88 2.963 11.030 5.655
647 HG13 VAL 88 HG13 VAL 88 3.221 10.048 4.215
648 HG21 VAL 88 HG21 VAL 88 2.078 7.339 5.288
649 HG22 VAL 88 HG22 VAL 88 1.713 8.076 3.726
650 HG23 VAL 88 HG23 VAL 88 0.403 7.660 4.829
651 H THR 89 H THR 89 1.904 10.132 9.197
652 HA THR 89 HA THR 89 0.923 12.888 9.152
653 HB THR 89 HB THR 89 2.320 11.297 11.356
654 HG1 THR 89 HG1 THR 89 0.210 10.575 10.825
655 HG21 THR 89 HG21 THR 89 0.962 14.021 11.516
656 HG22 THR 89 HG22 THR 89 2.692 13.720 11.685
657 HG23 THR 89 HG23 THR 89 1.570 13.095 12.891
658 H ILE 90 H ILE 90 2.196 14.460 8.358
659 HA ILE 90 HA ILE 90 5.162 14.204 8.452
660 HB ILE 90 HB ILE 90 3.506 15.709 6.372
661 HG12 ILE 90 HG12 ILE 90 4.918 13.006 6.069
662 HG13 ILE 90 HG13 ILE 90 3.179 13.220 6.220
663 HG21 ILE 90 HG21 ILE 90 5.634 15.864 5.098
664 HG22 ILE 90 HG22 ILE 90 6.490 15.079 6.425
665 HG23 ILE 90 HG23 ILE 90 5.759 16.666 6.664
666 HD11 ILE 90 HD11 ILE 90 3.802 12.816 3.941
667 HD12 ILE 90 HD12 ILE 90 4.902 14.194 3.952
668 HD13 ILE 90 HD13 ILE 90 3.159 14.450 4.100
Start of MODEL 13
1 H HIS 1 H1 HIS 1 -11.207 -21.654 -6.369
2 HA HIS 1 HA HIS 1 -13.485 -21.111 -6.882
3 HB2 HIS 1 HB2 HIS 1 -14.212 -23.590 -5.254
4 HB3 HIS 1 HB3 HIS 1 -15.344 -22.466 -6.001
5 HD1 HIS 1 HD1 HIS 1 -13.640 -25.607 -6.588
6 HD2 HIS 1 HD2 HIS 1 -15.140 -22.563 -8.987
7 HE1 HIS 1 HE1 HIS 1 -13.859 -26.603 -8.874
8 HE2 HIS 1 HE2 HIS 1 -14.566 -24.692 -10.338
9 H MET 2 H MET 2 -12.477 -19.432 -5.622
10 HA MET 2 HA MET 2 -13.319 -19.248 -2.821
11 HB2 MET 2 HB2 MET 2 -11.029 -18.669 -2.003
12 HB3 MET 2 HB3 MET 2 -11.123 -20.325 -2.584
13 HG2 MET 2 HG2 MET 2 -10.046 -18.078 -4.300
14 HG3 MET 2 HG3 MET 2 -9.029 -19.015 -3.208
15 HE1 MET 2 HE1 MET 2 -10.078 -21.956 -3.401
16 HE2 MET 2 HE2 MET 2 -8.371 -21.551 -3.575
17 HE3 MET 2 HE3 MET 2 -9.152 -22.595 -4.762
18 HA PRO 3 HA PRO 3 -13.505 -14.846 -4.020
19 HB2 PRO 3 HB2 PRO 3 -13.894 -13.657 -1.625
20 HB3 PRO 3 HB3 PRO 3 -15.114 -14.738 -2.317
21 HG2 PRO 3 HG2 PRO 3 -13.020 -15.344 -0.227
22 HG3 PRO 3 HG3 PRO 3 -14.755 -15.732 -0.210
23 HD2 PRO 3 HD2 PRO 3 -12.823 -17.538 -0.960
24 HD3 PRO 3 HD3 PRO 3 -14.481 -17.582 -1.595
25 H VAL 4 H VAL 4 -12.555 -12.636 -3.209
26 HA VAL 4 HA VAL 4 -9.670 -12.890 -2.535
27 HB VAL 4 HB VAL 4 -9.779 -12.238 -4.854
28 HG11 VAL 4 HG11 VAL 4 -11.718 -10.022 -4.097
29 HG12 VAL 4 HG12 VAL 4 -12.111 -11.487 -4.996
30 HG13 VAL 4 HG13 VAL 4 -11.034 -10.282 -5.705
31 HG21 VAL 4 HG21 VAL 4 -9.208 -9.727 -3.214
32 HG22 VAL 4 HG22 VAL 4 -8.650 -10.029 -4.857
33 HG23 VAL 4 HG23 VAL 4 -8.064 -11.036 -3.534
34 H HIS 5 H HIS 5 -8.871 -11.598 -0.977
35 HA HIS 5 HA HIS 5 -10.281 -9.214 -0.009
36 HB2 HIS 5 HB2 HIS 5 -9.535 -11.593 1.760
37 HB3 HIS 5 HB3 HIS 5 -9.895 -9.995 2.403
38 HD1 HIS 5 HD1 HIS 5 -12.412 -9.110 1.341
39 HD2 HIS 5 HD2 HIS 5 -11.749 -13.171 1.908
40 HE1 HIS 5 HE1 HIS 5 -14.686 -10.145 1.447
41 HE2 HIS 5 HE2 HIS 5 -14.250 -12.542 2.048
42 H ILE 6 H ILE 6 -8.607 -8.615 2.163
43 HA ILE 6 HA ILE 6 -5.811 -8.698 1.142
44 HB ILE 6 HB ILE 6 -7.149 -6.423 2.701
45 HG12 ILE 6 HG12 ILE 6 -6.048 -6.456 -0.153
46 HG13 ILE 6 HG13 ILE 6 -7.755 -6.455 0.279
47 HG21 ILE 6 HG21 ILE 6 -4.814 -6.680 3.449
48 HG22 ILE 6 HG22 ILE 6 -4.986 -5.204 2.502
49 HG23 ILE 6 HG23 ILE 6 -4.248 -6.633 1.777
50 HD11 ILE 6 HD11 ILE 6 -7.033 -4.266 -0.431
51 HD12 ILE 6 HD12 ILE 6 -5.784 -4.233 0.813
52 HD13 ILE 6 HD13 ILE 6 -7.490 -4.227 1.271
53 H VAL 7 H VAL 7 -4.531 -9.893 2.465
54 HA VAL 7 HA VAL 7 -5.205 -10.307 5.307
55 HB VAL 7 HB VAL 7 -3.291 -11.962 5.290
56 HG11 VAL 7 HG11 VAL 7 -5.426 -12.462 3.181
57 HG12 VAL 7 HG12 VAL 7 -5.600 -12.730 4.917
58 HG13 VAL 7 HG13 VAL 7 -4.457 -13.700 3.987
59 HG21 VAL 7 HG21 VAL 7 -3.191 -11.396 2.292
60 HG22 VAL 7 HG22 VAL 7 -2.292 -12.661 3.133
61 HG23 VAL 7 HG23 VAL 7 -1.941 -10.963 3.461
62 H ASP 8 H ASP 8 -2.972 -8.480 3.364
63 HA ASP 8 HA ASP 8 -1.377 -7.662 5.720
64 HB2 ASP 8 HB2 ASP 8 -0.158 -9.469 4.541
65 HB3 ASP 8 HB3 ASP 8 -0.308 -8.606 3.013
66 HA PRO 9 HA PRO 9 -1.234 -6.012 6.788
67 HB2 PRO 9 HB2 PRO 9 -1.899 -3.556 7.693
68 HB3 PRO 9 HB3 PRO 9 -0.320 -3.863 6.953
69 HG2 PRO 9 HG2 PRO 9 -2.797 -2.680 5.690
70 HG3 PRO 9 HG3 PRO 9 -1.123 -2.077 5.638
71 HD2 PRO 9 HD2 PRO 9 -2.206 -3.561 3.613
72 HD3 PRO 9 HD3 PRO 9 -0.479 -3.624 4.016
73 H ARG 10 H ARG 10 -2.837 -5.677 8.650
74 HA ARG 10 HA ARG 10 -5.623 -6.086 7.724
75 HB2 ARG 10 HB2 ARG 10 -4.365 -8.181 8.254
76 HB3 ARG 10 HB3 ARG 10 -4.063 -7.583 9.877
77 HG2 ARG 10 HG2 ARG 10 -5.814 -9.272 9.842
78 HG3 ARG 10 HG3 ARG 10 -6.439 -7.725 10.405
79 HD2 ARG 10 HD2 ARG 10 -6.763 -8.687 7.540
80 HD3 ARG 10 HD3 ARG 10 -7.939 -9.046 8.806
81 HE ARG 10 HE ARG 10 -7.839 -6.398 8.998
82 HH11 ARG 10 HH11 ARG 10 -8.081 -8.305 6.118
83 HH12 ARG 10 HH12 ARG 10 -8.960 -7.078 5.278
84 HH21 ARG 10 HH21 ARG 10 -8.919 -4.848 7.863
85 HH22 ARG 10 HH22 ARG 10 -9.420 -5.167 6.235
86 H GLU 11 H GLU 11 -3.944 -3.808 9.184
87 HA GLU 11 HA GLU 11 -6.030 -3.004 11.080
88 HB2 GLU 11 HB2 GLU 11 -4.487 -2.753 12.986
89 HB3 GLU 11 HB3 GLU 11 -4.562 -4.430 12.472
90 HG2 GLU 11 HG2 GLU 11 -2.317 -2.521 11.733
91 HG3 GLU 11 HG3 GLU 11 -2.270 -3.614 13.110
92 H HIS 12 H HIS 12 -5.206 -0.877 12.259
93 HA HIS 12 HA HIS 12 -4.658 1.123 10.333
94 HB2 HIS 12 HB2 HIS 12 -4.438 2.669 12.361
95 HB3 HIS 12 HB3 HIS 12 -5.959 1.804 12.202
96 HD1 HIS 12 HD1 HIS 12 -2.674 1.284 14.102
97 HD2 HIS 12 HD2 HIS 12 -6.761 0.769 14.593
98 HE1 HIS 12 HE1 HIS 12 -2.963 0.447 16.442
99 HE2 HIS 12 HE2 HIS 12 -5.430 0.026 16.674
100 H VAL 13 H VAL 13 -2.762 1.353 9.331
101 HA VAL 13 HA VAL 13 -0.201 0.921 10.735
102 HB VAL 13 HB VAL 13 -0.791 1.449 7.789
103 HG11 VAL 13 HG11 VAL 13 1.869 0.756 9.089
104 HG12 VAL 13 HG12 VAL 13 1.437 2.304 8.361
105 HG13 VAL 13 HG13 VAL 13 1.569 0.865 7.351
106 HG21 VAL 13 HG21 VAL 13 -0.209 -0.920 7.433
107 HG22 VAL 13 HG22 VAL 13 -1.574 -0.770 8.540
108 HG23 VAL 13 HG23 VAL 13 0.033 -1.137 9.169
109 H PHE 14 H PHE 14 0.681 2.655 11.743
110 HA PHE 14 HA PHE 14 0.315 5.381 10.620
111 HB2 PHE 14 HB2 PHE 14 1.035 4.508 13.457
112 HB3 PHE 14 HB3 PHE 14 1.000 6.183 12.913
113 HD1 PHE 14 HD2 PHE 14 -1.199 7.176 12.104
114 HD2 PHE 14 HD1 PHE 14 -1.001 3.418 14.135
115 HE1 PHE 14 HE2 PHE 14 -3.604 7.314 12.600
116 HE2 PHE 14 HE1 PHE 14 -3.408 3.562 14.621
117 HZ PHE 14 HZ PHE 14 -4.711 5.511 13.857
118 H VAL 15 H VAL 15 1.982 5.954 9.368
119 HA VAL 15 HA VAL 15 4.757 5.105 10.016
120 HB VAL 15 HB VAL 15 3.611 6.101 7.357
121 HG11 VAL 15 HG11 VAL 15 6.387 5.009 7.971
122 HG12 VAL 15 HG12 VAL 15 5.995 6.682 7.574
123 HG13 VAL 15 HG13 VAL 15 5.777 5.419 6.364
124 HG21 VAL 15 HG21 VAL 15 2.754 3.867 7.917
125 HG22 VAL 15 HG22 VAL 15 4.395 3.282 8.195
126 HG23 VAL 15 HG23 VAL 15 3.893 3.766 6.575
127 H HIS 16 H HIS 16 6.178 6.673 10.663
128 HA HIS 16 HA HIS 16 5.358 9.500 10.606
129 HB2 HIS 16 HB2 HIS 16 7.691 8.119 11.994
130 HB3 HIS 16 HB3 HIS 16 7.338 9.842 12.110
131 HD1 HIS 16 HD1 HIS 16 7.400 8.290 14.676
132 HD2 HIS 16 HD2 HIS 16 3.929 8.733 12.430
133 HE1 HIS 16 HE1 HIS 16 5.510 7.923 16.279
134 HE2 HIS 16 HE2 HIS 16 3.434 8.387 14.942
135 H ALA 17 H ALA 17 6.332 11.041 9.363
136 HA ALA 17 HA ALA 17 8.703 10.399 7.733
137 HB1 ALA 17 HB1 ALA 17 6.074 11.359 6.548
138 HB2 ALA 17 HB2 ALA 17 6.733 9.731 6.396
139 HB3 ALA 17 HB3 ALA 17 7.583 11.093 5.663
140 H ILE 18 H ILE 18 9.406 12.293 6.468
141 HA ILE 18 HA ILE 18 8.928 14.938 7.731
142 HB ILE 18 HB ILE 18 11.604 13.698 6.893
143 HG12 ILE 18 HG12 ILE 18 10.834 12.873 9.089
144 HG13 ILE 18 HG13 ILE 18 12.254 13.891 9.286
145 HG21 ILE 18 HG21 ILE 18 11.672 16.073 6.325
146 HG22 ILE 18 HG22 ILE 18 12.732 15.747 7.698
147 HG23 ILE 18 HG23 ILE 18 11.160 16.509 7.958
148 HD11 ILE 18 HD11 ILE 18 10.628 14.309 11.031
149 HD12 ILE 18 HD12 ILE 18 9.393 14.701 9.838
150 HD13 ILE 18 HD13 ILE 18 10.807 15.744 10.023
151 H THR 19 H THR 19 9.433 16.763 6.177
152 HA THR 19 HA THR 19 8.546 16.605 3.561
153 HB THR 19 HB THR 19 9.821 18.728 3.139
154 HG1 THR 19 HG1 THR 19 11.316 17.785 5.245
155 HG21 THR 19 HG21 THR 19 8.496 18.652 5.881
156 HG22 THR 19 HG22 THR 19 7.657 18.862 4.341
157 HG23 THR 19 HG23 THR 19 8.782 20.096 4.909
158 H SER 20 H SER 20 9.327 15.743 1.710
159 HA SER 20 HA SER 20 10.614 14.826 0.098
160 HB2 SER 20 HB2 SER 20 11.915 16.940 0.222
161 HB3 SER 20 HB3 SER 20 12.955 16.238 1.460
162 HG SER 20 HG SER 20 13.777 14.828 -0.044
163 H GLU 21 H GLU 21 10.076 13.286 2.509
164 HA GLU 21 HA GLU 21 12.385 11.556 2.995
165 HB2 GLU 21 HB2 GLU 21 10.185 12.244 4.519
166 HB3 GLU 21 HB3 GLU 21 9.650 10.690 3.915
167 HG2 GLU 21 HG2 GLU 21 12.235 11.159 5.437
168 HG3 GLU 21 HG3 GLU 21 10.723 10.644 6.180
169 H CYS 22 H CYS 22 12.307 9.170 2.556
170 HA CYS 22 HA CYS 22 10.751 8.434 0.144
171 HB2 CYS 22 HB2 CYS 22 13.200 7.094 1.357
172 HB3 CYS 22 HB3 CYS 22 12.359 6.549 -0.096
173 HG CYS 22 HG CYS 22 12.960 9.615 -0.722
174 H VAL 23 H VAL 23 8.756 7.898 1.024
175 HA VAL 23 HA VAL 23 8.587 5.883 3.190
176 HB VAL 23 HB VAL 23 6.443 7.730 2.036
177 HG11 VAL 23 HG11 VAL 23 5.003 7.012 3.933
178 HG12 VAL 23 HG12 VAL 23 6.220 5.822 4.401
179 HG13 VAL 23 HG13 VAL 23 5.383 5.666 2.856
180 HG21 VAL 23 HG21 VAL 23 6.605 8.931 4.193
181 HG22 VAL 23 HG22 VAL 23 8.151 8.939 3.343
182 HG23 VAL 23 HG23 VAL 23 7.901 7.845 4.706
183 H MET 24 H MET 24 8.172 3.792 2.675
184 HA MET 24 HA MET 24 6.658 3.139 0.200
185 HB2 MET 24 HB2 MET 24 8.615 1.436 1.792
186 HB3 MET 24 HB3 MET 24 7.599 0.794 0.510
187 HG2 MET 24 HG2 MET 24 8.696 2.378 -1.080
188 HG3 MET 24 HG3 MET 24 9.793 2.857 0.219
189 HE1 MET 24 HE1 MET 24 11.742 2.166 -1.653
190 HE2 MET 24 HE2 MET 24 10.521 1.525 -2.757
191 HE3 MET 24 HE3 MET 24 11.895 0.526 -2.287
192 H LEU 25 H LEU 25 4.599 2.605 0.515
193 HA LEU 25 HA LEU 25 3.672 1.324 3.021
194 HB2 LEU 25 HB2 LEU 25 2.097 2.739 0.827
195 HB3 LEU 25 HB3 LEU 25 1.415 2.077 2.309
196 HG LEU 25 HG LEU 25 3.372 4.407 2.144
197 HD11 LEU 25 HD11 LEU 25 1.493 5.800 2.870
198 HD12 LEU 25 HD12 LEU 25 0.414 4.404 2.814
199 HD13 LEU 25 HD13 LEU 25 1.148 5.019 1.330
200 HD21 LEU 25 HD21 LEU 25 1.997 3.229 4.586
201 HD22 LEU 25 HD22 LEU 25 2.982 4.696 4.559
202 HD23 LEU 25 HD23 LEU 25 3.721 3.136 4.212
203 H ALA 26 H ALA 26 3.850 -0.873 2.712
204 HA ALA 26 HA ALA 26 3.285 -2.077 0.097
205 HB1 ALA 26 HB1 ALA 26 4.509 -3.319 2.582
206 HB2 ALA 26 HB2 ALA 26 5.399 -2.678 1.200
207 HB3 ALA 26 HB3 ALA 26 4.360 -4.090 0.997
208 H CYS 27 H CYS 27 1.767 -3.644 -0.225
209 HA CYS 27 HA CYS 27 0.009 -4.624 1.867
210 HB2 CYS 27 HB2 CYS 27 -1.087 -2.489 1.321
211 HB3 CYS 27 HB3 CYS 27 -1.063 -2.874 -0.399
212 HG CYS 27 HG CYS 27 -2.577 -5.335 1.107
213 H GLU 28 H GLU 28 0.067 -6.742 1.414
214 HA GLU 28 HA GLU 28 -0.133 -7.668 -1.392
215 HB2 GLU 28 HB2 GLU 28 1.126 -8.894 1.070
216 HB3 GLU 28 HB3 GLU 28 0.550 -9.955 -0.206
217 HG2 GLU 28 HG2 GLU 28 2.894 -9.593 -0.537
218 HG3 GLU 28 HG3 GLU 28 2.023 -8.781 -1.829
219 H VAL 29 H VAL 29 -1.856 -8.723 -2.075
220 HA VAL 29 HA VAL 29 -4.266 -8.774 -0.530
221 HB VAL 29 HB VAL 29 -5.311 -9.733 -2.597
222 HG11 VAL 29 HG11 VAL 29 -4.940 -7.784 -4.060
223 HG12 VAL 29 HG12 VAL 29 -3.505 -7.345 -3.129
224 HG13 VAL 29 HG13 VAL 29 -5.098 -7.292 -2.373
225 HG21 VAL 29 HG21 VAL 29 -3.965 -10.019 -4.649
226 HG22 VAL 29 HG22 VAL 29 -3.424 -11.120 -3.381
227 HG23 VAL 29 HG23 VAL 29 -2.489 -9.667 -3.743
228 H ASP 30 H ASP 30 -5.725 -10.711 -0.569
229 HA ASP 30 HA ASP 30 -4.504 -13.057 0.600
230 HB2 ASP 30 HB2 ASP 30 -6.606 -12.178 1.495
231 HB3 ASP 30 HB3 ASP 30 -7.388 -12.319 -0.075
232 H ARG 31 H ARG 31 -5.937 -12.167 -2.507
233 HA ARG 31 HA ARG 31 -5.427 -14.878 -3.617
234 HB2 ARG 31 HB2 ARG 31 -7.872 -14.355 -3.317
235 HB3 ARG 31 HB3 ARG 31 -7.684 -12.973 -4.377
236 HG2 ARG 31 HG2 ARG 31 -7.067 -14.493 -6.238
237 HG3 ARG 31 HG3 ARG 31 -7.291 -15.878 -5.164
238 HD2 ARG 31 HD2 ARG 31 -9.669 -15.310 -4.896
239 HD3 ARG 31 HD3 ARG 31 -9.451 -13.874 -5.904
240 HE ARG 31 HE ARG 31 -8.641 -16.160 -7.350
241 HH11 ARG 31 HH11 ARG 31 -11.551 -14.668 -6.207
242 HH12 ARG 31 HH12 ARG 31 -12.525 -15.380 -7.442
243 HH21 ARG 31 HH21 ARG 31 -9.932 -17.068 -8.913
244 HH22 ARG 31 HH22 ARG 31 -11.623 -16.712 -8.938
245 H GLU 32 H GLU 32 -3.839 -14.799 -5.088
246 HA GLU 32 HA GLU 32 -2.488 -12.536 -5.992
247 HB2 GLU 32 HB2 GLU 32 -1.271 -14.068 -7.509
248 HB3 GLU 32 HB3 GLU 32 -1.471 -14.773 -5.908
249 HG2 GLU 32 HG2 GLU 32 -3.347 -16.158 -6.743
250 HG3 GLU 32 HG3 GLU 32 -3.161 -15.452 -8.346
251 H ASP 33 H ASP 33 -5.201 -14.174 -7.459
252 HA ASP 33 HA ASP 33 -5.040 -13.318 -10.123
253 HB2 ASP 33 HB2 ASP 33 -7.547 -13.999 -8.531
254 HB3 ASP 33 HB3 ASP 33 -7.387 -14.038 -10.285
255 H ALA 34 H ALA 34 -5.995 -11.499 -7.319
256 HA ALA 34 HA ALA 34 -6.945 -9.259 -9.013
257 HB1 ALA 34 HB1 ALA 34 -8.739 -8.810 -7.391
258 HB2 ALA 34 HB2 ALA 34 -8.280 -10.252 -6.478
259 HB3 ALA 34 HB3 ALA 34 -8.914 -10.409 -8.118
260 HA PRO 35 HA PRO 35 -3.847 -7.361 -6.111
261 HB2 PRO 35 HB2 PRO 35 -3.124 -5.553 -8.300
262 HB3 PRO 35 HB3 PRO 35 -2.146 -6.824 -7.564
263 HG2 PRO 35 HG2 PRO 35 -3.109 -6.946 -10.141
264 HG3 PRO 35 HG3 PRO 35 -2.735 -8.380 -9.163
265 HD2 PRO 35 HD2 PRO 35 -5.415 -7.081 -9.679
266 HD3 PRO 35 HD3 PRO 35 -4.977 -8.807 -9.679
267 H VAL 36 H VAL 36 -3.554 -4.953 -5.465
268 HA VAL 36 HA VAL 36 -6.218 -3.961 -4.911
269 HB VAL 36 HB VAL 36 -5.327 -2.590 -3.223
270 HG11 VAL 36 HG11 VAL 36 -4.960 -4.938 -2.643
271 HG12 VAL 36 HG12 VAL 36 -3.684 -3.934 -1.951
272 HG13 VAL 36 HG13 VAL 36 -3.363 -4.898 -3.396
273 HG21 VAL 36 HG21 VAL 36 -2.638 -2.599 -4.636
274 HG22 VAL 36 HG22 VAL 36 -2.925 -1.876 -3.054
275 HG23 VAL 36 HG23 VAL 36 -3.749 -1.240 -4.478
276 H ARG 37 H ARG 37 -6.891 -1.748 -5.100
277 HA ARG 37 HA ARG 37 -5.550 -0.038 -7.116
278 HB2 ARG 37 HB2 ARG 37 -8.485 -0.112 -6.257
279 HB3 ARG 37 HB3 ARG 37 -7.797 1.207 -7.190
280 HG2 ARG 37 HG2 ARG 37 -8.944 -0.187 -8.730
281 HG3 ARG 37 HG3 ARG 37 -7.223 -0.470 -8.994
282 HD2 ARG 37 HD2 ARG 37 -8.510 -2.574 -9.070
283 HD3 ARG 37 HD3 ARG 37 -7.361 -2.576 -7.728
284 HE ARG 37 HE ARG 37 -10.002 -1.686 -6.992
285 HH11 ARG 37 HH11 ARG 37 -8.002 -4.510 -7.300
286 HH12 ARG 37 HH12 ARG 37 -9.018 -5.440 -6.261
287 HH21 ARG 37 HH21 ARG 37 -11.224 -2.900 -5.666
288 HH22 ARG 37 HH22 ARG 37 -10.817 -4.548 -5.366
289 H TRP 38 H TRP 38 -4.567 1.745 -6.282
290 HA TRP 38 HA TRP 38 -4.784 2.332 -3.427
291 HB2 TRP 38 HB2 TRP 38 -2.872 3.321 -5.585
292 HB3 TRP 38 HB3 TRP 38 -2.851 3.945 -3.941
293 HD1 TRP 38 HD1 TRP 38 -1.777 0.904 -5.989
294 HE1 TRP 38 HE1 TRP 38 -0.327 -0.615 -4.503
295 HE3 TRP 38 HE3 TRP 38 -2.550 3.178 -1.466
296 HZ2 TRP 38 HZ2 TRP 38 0.390 -0.843 -1.789
297 HZ3 TRP 38 HZ3 TRP 38 -1.447 2.245 0.529
298 HH2 TRP 38 HH2 TRP 38 -0.005 0.274 0.369
299 H TYR 39 H TYR 39 -5.874 3.970 -2.567
300 HA TYR 39 HA TYR 39 -6.660 6.365 -4.138
301 HB2 TYR 39 HB2 TYR 39 -8.316 4.894 -2.038
302 HB3 TYR 39 HB3 TYR 39 -8.735 6.473 -2.689
303 HD1 TYR 39 HD1 TYR 39 -8.349 2.870 -3.581
304 HD2 TYR 39 HD2 TYR 39 -9.897 6.667 -4.790
305 HE1 TYR 39 HE1 TYR 39 -9.615 1.786 -5.383
306 HE2 TYR 39 HE2 TYR 39 -11.160 5.576 -6.591
307 HH TYR 39 HH TYR 39 -11.013 3.479 -7.924
308 H LYS 40 H LYS 40 -7.205 8.247 -2.597
309 HA LYS 40 HA LYS 40 -5.986 8.521 -0.054
310 HB2 LYS 40 HB2 LYS 40 -3.891 8.198 -1.399
311 HB3 LYS 40 HB3 LYS 40 -4.322 9.594 -2.379
312 HG2 LYS 40 HG2 LYS 40 -4.226 10.994 -0.287
313 HG3 LYS 40 HG3 LYS 40 -3.609 9.575 0.567
314 HD2 LYS 40 HD2 LYS 40 -1.666 9.519 -1.010
315 HD3 LYS 40 HD3 LYS 40 -2.287 10.979 -1.789
316 HE2 LYS 40 HE2 LYS 40 -1.432 10.749 1.111
317 HE3 LYS 40 HE3 LYS 40 -0.496 11.499 -0.181
318 HZ1 LYS 40 HZ1 LYS 40 -1.628 13.152 1.111
319 HZ2 LYS 40 HZ2 LYS 40 -3.128 12.420 0.838
320 HZ3 LYS 40 HZ3 LYS 40 -2.280 13.124 -0.450
321 H ASP 41 H ASP 41 -6.859 10.322 0.863
322 HA ASP 41 HA ASP 41 -7.910 12.293 1.225
323 HB2 ASP 41 HB2 ASP 41 -6.143 13.155 -1.097
324 HB3 ASP 41 HB3 ASP 41 -7.004 14.276 -0.049
325 H GLY 42 H GLY 42 -9.250 10.446 -0.750
326 HA2 GLY 42 HA2 GLY 42 -11.602 10.737 -1.234
327 HA3 GLY 42 HA3 GLY 42 -11.281 12.388 -1.721
328 H GLN 43 H GLN 43 -8.823 11.116 -3.229
329 HA GLN 43 HA GLN 43 -10.292 10.147 -5.644
330 HB2 GLN 43 HB2 GLN 43 -7.881 12.030 -5.608
331 HB3 GLN 43 HB3 GLN 43 -8.708 11.436 -7.045
332 HG2 GLN 43 HG2 GLN 43 -10.733 12.679 -6.422
333 HG3 GLN 43 HG3 GLN 43 -9.951 13.234 -4.942
334 HE21 GLN 43 HE21 GLN 43 -10.085 13.593 -8.413
335 HE22 GLN 43 HE22 GLN 43 -9.186 15.065 -8.492
336 H GLU 44 H GLU 44 -8.891 8.793 -7.149
337 HA GLU 44 HA GLU 44 -7.238 6.955 -5.708
338 HB2 GLU 44 HB2 GLU 44 -6.824 5.838 -7.859
339 HB3 GLU 44 HB3 GLU 44 -8.531 6.207 -7.649
340 HG2 GLU 44 HG2 GLU 44 -8.247 8.188 -9.130
341 HG3 GLU 44 HG3 GLU 44 -6.576 7.718 -9.405
342 H VAL 45 H VAL 45 -4.981 6.596 -5.836
343 HA VAL 45 HA VAL 45 -3.512 8.955 -5.387
344 HB VAL 45 HB VAL 45 -2.424 6.130 -5.739
345 HG11 VAL 45 HG11 VAL 45 -0.619 7.786 -5.968
346 HG12 VAL 45 HG12 VAL 45 -0.449 6.900 -4.455
347 HG13 VAL 45 HG13 VAL 45 -1.095 8.544 -4.446
348 HG21 VAL 45 HG21 VAL 45 -3.158 7.601 -3.184
349 HG22 VAL 45 HG22 VAL 45 -2.469 5.979 -3.285
350 HG23 VAL 45 HG23 VAL 45 -4.083 6.293 -3.919
351 H GLU 46 H GLU 46 -3.018 6.508 -7.902
352 HA GLU 46 HA GLU 46 -2.089 6.438 -9.950
353 HB2 GLU 46 HB2 GLU 46 -2.531 9.450 -10.010
354 HB3 GLU 46 HB3 GLU 46 -2.166 8.443 -11.410
355 HG2 GLU 46 HG2 GLU 46 -4.295 7.221 -11.070
356 HG3 GLU 46 HG3 GLU 46 -4.659 8.253 -9.688
357 H GLU 47 H GLU 47 -0.221 7.116 -11.330
358 HA GLU 47 HA GLU 47 2.140 7.860 -9.713
359 HB2 GLU 47 HB2 GLU 47 1.992 6.605 -12.490
360 HB3 GLU 47 HB3 GLU 47 3.467 6.882 -11.563
361 HG2 GLU 47 HG2 GLU 47 2.613 5.314 -9.814
362 HG3 GLU 47 HG3 GLU 47 1.213 4.982 -10.835
363 H SER 48 H SER 48 3.735 9.340 -10.590
364 HA SER 48 HA SER 48 3.142 10.970 -12.931
365 HB2 SER 48 HB2 SER 48 3.185 12.303 -10.181
366 HB3 SER 48 HB3 SER 48 3.232 13.170 -11.714
367 HG SER 48 HG SER 48 1.147 11.685 -11.935
368 H ASP 49 H ASP 49 5.051 11.156 -9.933
369 HA ASP 49 HA ASP 49 7.627 10.844 -11.029
370 HB2 ASP 49 HB2 ASP 49 7.174 13.022 -12.147
371 HB3 ASP 49 HB3 ASP 49 6.774 13.756 -10.598
372 H PHE 50 H PHE 50 6.039 13.023 -8.660
373 HA PHE 50 HA PHE 50 7.691 12.418 -6.434
374 HB2 PHE 50 HB2 PHE 50 4.847 13.518 -6.536
375 HB3 PHE 50 HB3 PHE 50 5.809 13.431 -5.066
376 HD1 PHE 50 HD1 PHE 50 7.820 14.878 -4.796
377 HD2 PHE 50 HD2 PHE 50 5.249 15.264 -8.190
378 HE1 PHE 50 HE1 PHE 50 8.781 17.091 -5.279
379 HE2 PHE 50 HE2 PHE 50 6.213 17.477 -8.662
380 HZ PHE 50 HZ PHE 50 7.980 18.393 -7.209
381 H VAL 51 H VAL 51 4.756 10.902 -7.702
382 HA VAL 51 HA VAL 51 4.952 8.783 -5.625
383 HB VAL 51 HB VAL 51 2.487 9.322 -7.341
384 HG11 VAL 51 HG11 VAL 51 2.821 7.742 -4.757
385 HG12 VAL 51 HG12 VAL 51 2.682 7.048 -6.375
386 HG13 VAL 51 HG13 VAL 51 1.330 7.933 -5.676
387 HG21 VAL 51 HG21 VAL 51 3.004 10.366 -4.531
388 HG22 VAL 51 HG22 VAL 51 1.466 10.461 -5.391
389 HG23 VAL 51 HG23 VAL 51 2.872 11.339 -5.998
390 H VAL 52 H VAL 52 5.442 6.737 -6.305
391 HA VAL 52 HA VAL 52 4.688 5.866 -9.033
392 HB VAL 52 HB VAL 52 6.745 4.399 -9.130
393 HG11 VAL 52 HG11 VAL 52 8.313 6.162 -9.853
394 HG12 VAL 52 HG12 VAL 52 7.340 7.381 -9.026
395 HG13 VAL 52 HG13 VAL 52 6.671 6.510 -10.406
396 HG21 VAL 52 HG21 VAL 52 8.702 4.935 -7.694
397 HG22 VAL 52 HG22 VAL 52 7.344 4.340 -6.741
398 HG23 VAL 52 HG23 VAL 52 7.709 6.066 -6.767
399 H LEU 53 H LEU 53 3.825 3.809 -9.164
400 HA LEU 53 HA LEU 53 3.242 2.401 -6.613
401 HB2 LEU 53 HB2 LEU 53 1.623 2.445 -9.203
402 HB3 LEU 53 HB3 LEU 53 1.186 1.557 -7.750
403 HG LEU 53 HG LEU 53 1.334 4.599 -7.968
404 HD11 LEU 53 HD11 LEU 53 -0.580 3.708 -9.220
405 HD12 LEU 53 HD12 LEU 53 -1.109 4.586 -7.789
406 HD13 LEU 53 HD13 LEU 53 -1.121 2.820 -7.790
407 HD21 LEU 53 HD21 LEU 53 0.319 4.639 -5.725
408 HD22 LEU 53 HD22 LEU 53 1.889 3.844 -5.701
409 HD23 LEU 53 HD23 LEU 53 0.414 2.876 -5.640
410 H GLU 54 H GLU 54 4.157 0.425 -6.400
411 HA GLU 54 HA GLU 54 5.355 -0.936 -8.725
412 HB2 GLU 54 HB2 GLU 54 5.758 -1.494 -5.757
413 HB3 GLU 54 HB3 GLU 54 6.685 -2.189 -7.082
414 HG2 GLU 54 HG2 GLU 54 6.669 0.714 -6.201
415 HG3 GLU 54 HG3 GLU 54 7.965 -0.453 -5.954
416 H ASN 55 H ASN 55 4.744 -2.963 -9.397
417 HA ASN 55 HA ASN 55 2.858 -4.570 -7.784
418 HB2 ASN 55 HB2 ASN 55 1.438 -3.484 -9.422
419 HB3 ASN 55 HB3 ASN 55 2.550 -3.858 -10.735
420 HD21 ASN 55 HD21 ASN 55 2.503 -5.932 -11.646
421 HD22 ASN 55 HD22 ASN 55 1.249 -7.068 -11.308
422 H GLU 56 H GLU 56 3.366 -6.669 -7.660
423 HA GLU 56 HA GLU 56 4.838 -8.056 -9.788
424 HB2 GLU 56 HB2 GLU 56 6.590 -7.374 -8.135
425 HB3 GLU 56 HB3 GLU 56 5.675 -8.139 -6.844
426 HG2 GLU 56 HG2 GLU 56 5.995 -10.354 -8.049
427 HG3 GLU 56 HG3 GLU 56 7.076 -9.518 -9.165
428 H GLY 57 H GLY 57 2.688 -8.857 -10.188
429 HA2 GLY 57 HA2 GLY 57 0.876 -10.243 -10.016
430 HA3 GLY 57 HA3 GLY 57 1.870 -11.246 -8.975
431 HA PRO 58 HA PRO 58 -1.123 -9.985 -5.726
432 HB2 PRO 58 HB2 PRO 58 0.032 -11.269 -3.607
433 HB3 PRO 58 HB3 PRO 58 -0.875 -12.130 -4.857
434 HG2 PRO 58 HG2 PRO 58 2.111 -11.755 -4.613
435 HG3 PRO 58 HG3 PRO 58 1.200 -13.247 -4.928
436 HD2 PRO 58 HD2 PRO 58 2.370 -11.849 -6.932
437 HD3 PRO 58 HD3 PRO 58 0.822 -12.694 -7.170
438 H HIS 59 H HIS 59 2.288 -9.209 -5.789
439 HA HIS 59 HA HIS 59 2.384 -7.658 -3.352
440 HB2 HIS 59 HB2 HIS 59 4.328 -7.733 -5.696
441 HB3 HIS 59 HB3 HIS 59 4.624 -6.887 -4.183
442 HD1 HIS 59 HD1 HIS 59 6.171 -8.153 -2.757
443 HD2 HIS 59 HD2 HIS 59 3.803 -10.698 -5.025
444 HE1 HIS 59 HE1 HIS 59 6.951 -10.464 -2.200
445 HE2 HIS 59 HE2 HIS 59 5.660 -11.960 -3.747
446 H ARG 60 H ARG 60 1.851 -5.573 -3.059
447 HA ARG 60 HA ARG 60 1.713 -3.641 -5.282
448 HB2 ARG 60 HB2 ARG 60 -0.607 -4.520 -3.537
449 HB3 ARG 60 HB3 ARG 60 -0.568 -2.873 -4.150
450 HG2 ARG 60 HG2 ARG 60 -0.431 -5.326 -5.926
451 HG3 ARG 60 HG3 ARG 60 -1.931 -4.487 -5.511
452 HD2 ARG 60 HD2 ARG 60 -1.102 -2.426 -6.561
453 HD3 ARG 60 HD3 ARG 60 0.447 -3.206 -6.911
454 HE ARG 60 HE ARG 60 -0.951 -4.815 -8.276
455 HH11 ARG 60 HH11 ARG 60 -1.994 -1.540 -7.878
456 HH12 ARG 60 HH12 ARG 60 -2.654 -1.460 -9.467
457 HH21 ARG 60 HH21 ARG 60 -1.792 -4.680 -10.287
458 HH22 ARG 60 HH22 ARG 60 -2.549 -3.218 -10.815
459 H ARG 61 H ARG 61 3.041 -2.011 -4.611
460 HA ARG 61 HA ARG 61 2.721 -0.978 -1.874
461 HB2 ARG 61 HB2 ARG 61 5.272 -0.890 -1.621
462 HB3 ARG 61 HB3 ARG 61 4.475 -2.445 -1.433
463 HG2 ARG 61 HG2 ARG 61 5.114 -2.874 -3.900
464 HG3 ARG 61 HG3 ARG 61 6.198 -1.490 -3.722
465 HD2 ARG 61 HD2 ARG 61 7.388 -3.610 -3.300
466 HD3 ARG 61 HD3 ARG 61 7.339 -2.611 -1.843
467 HE ARG 61 HE ARG 61 5.130 -4.363 -1.818
468 HH11 ARG 61 HH11 ARG 61 8.577 -4.571 -1.476
469 HH12 ARG 61 HH12 ARG 61 8.471 -5.976 -0.473
470 HH21 ARG 61 HH21 ARG 61 5.048 -6.130 -0.526
471 HH22 ARG 61 HH22 ARG 61 6.519 -6.834 0.058
472 H LEU 62 H LEU 62 2.556 1.071 -1.778
473 HA LEU 62 HA LEU 62 3.033 2.868 -3.989
474 HB2 LEU 62 HB2 LEU 62 1.021 2.854 -2.446
475 HB3 LEU 62 HB3 LEU 62 2.049 3.445 -1.157
476 HG LEU 62 HG LEU 62 1.666 5.025 -3.734
477 HD11 LEU 62 HD11 LEU 62 -0.072 5.192 -1.252
478 HD12 LEU 62 HD12 LEU 62 -0.569 4.603 -2.839
479 HD13 LEU 62 HD13 LEU 62 -0.130 6.295 -2.632
480 HD21 LEU 62 HD21 LEU 62 3.516 5.798 -2.326
481 HD22 LEU 62 HD22 LEU 62 2.440 5.913 -0.931
482 HD23 LEU 62 HD23 LEU 62 2.210 6.979 -2.322
483 H VAL 63 H VAL 63 5.160 3.425 -4.316
484 HA VAL 63 HA VAL 63 6.909 4.058 -2.033
485 HB VAL 63 HB VAL 63 7.582 3.891 -5.005
486 HG11 VAL 63 HG11 VAL 63 9.161 5.352 -3.819
487 HG12 VAL 63 HG12 VAL 63 9.953 3.847 -4.281
488 HG13 VAL 63 HG13 VAL 63 9.450 4.099 -2.608
489 HG21 VAL 63 HG21 VAL 63 8.082 1.835 -2.814
490 HG22 VAL 63 HG22 VAL 63 8.622 1.712 -4.490
491 HG23 VAL 63 HG23 VAL 63 6.899 1.693 -4.118
492 H LEU 64 H LEU 64 7.539 6.105 -1.545
493 HA LEU 64 HA LEU 64 6.665 8.375 -3.243
494 HB2 LEU 64 HB2 LEU 64 5.448 7.709 -0.866
495 HB3 LEU 64 HB3 LEU 64 6.709 8.758 -0.263
496 HG LEU 64 HG LEU 64 4.852 10.182 -0.501
497 HD11 LEU 64 HD11 LEU 64 6.372 10.575 -3.083
498 HD12 LEU 64 HD12 LEU 64 6.839 11.183 -1.496
499 HD13 LEU 64 HD13 LEU 64 5.365 11.772 -2.260
500 HD21 LEU 64 HD21 LEU 64 4.263 8.976 -3.219
501 HD22 LEU 64 HD22 LEU 64 3.356 10.276 -2.437
502 HD23 LEU 64 HD23 LEU 64 3.381 8.669 -1.717
503 HA PRO 65 HA PRO 65 11.331 8.716 -2.743
504 HB2 PRO 65 HB2 PRO 65 11.570 10.445 -4.932
505 HB3 PRO 65 HB3 PRO 65 11.629 8.682 -5.028
506 HG2 PRO 65 HG2 PRO 65 9.254 10.512 -5.433
507 HG3 PRO 65 HG3 PRO 65 9.815 9.177 -6.459
508 HD2 PRO 65 HD2 PRO 65 7.795 8.751 -4.815
509 HD3 PRO 65 HD3 PRO 65 9.082 7.522 -4.916
510 H ALA 66 H ALA 66 9.220 11.564 -3.515
511 HA ALA 66 HA ALA 66 10.681 13.140 -1.451
512 HB1 ALA 66 HB1 ALA 66 10.166 15.165 -2.748
513 HB2 ALA 66 HB2 ALA 66 9.341 14.193 -3.969
514 HB3 ALA 66 HB3 ALA 66 11.078 14.013 -3.725
515 H THR 67 H THR 67 9.263 12.390 0.191
516 HA THR 67 HA THR 67 6.395 12.621 -0.029
517 HB THR 67 HB THR 67 8.014 12.030 2.494
518 HG1 THR 67 HG1 THR 67 8.149 10.579 0.469
519 HG21 THR 67 HG21 THR 67 5.112 11.391 1.816
520 HG22 THR 67 HG22 THR 67 5.648 12.620 2.961
521 HG23 THR 67 HG23 THR 67 5.957 10.918 3.293
522 H GLN 68 H GLN 68 5.909 14.732 -0.401
523 HA GLN 68 HA GLN 68 6.668 16.942 1.325
524 HB2 GLN 68 HB2 GLN 68 4.530 16.810 -0.848
525 HB3 GLN 68 HB3 GLN 68 5.273 18.271 -0.199
526 HG2 GLN 68 HG2 GLN 68 7.386 17.740 -1.258
527 HG3 GLN 68 HG3 GLN 68 6.801 16.149 -1.744
528 HE21 GLN 68 HE21 GLN 68 5.200 16.024 -3.399
529 HE22 GLN 68 HE22 GLN 68 5.015 17.298 -4.551
530 HA PRO 69 HA PRO 69 3.277 16.819 4.364
531 HB2 PRO 69 HB2 PRO 69 2.137 19.393 4.085
532 HB3 PRO 69 HB3 PRO 69 3.504 18.971 5.121
533 HG2 PRO 69 HG2 PRO 69 3.518 20.123 2.336
534 HG3 PRO 69 HG3 PRO 69 4.532 20.551 3.732
535 HD2 PRO 69 HD2 PRO 69 5.526 19.033 1.785
536 HD3 PRO 69 HD3 PRO 69 5.889 18.628 3.482
537 H SER 70 H SER 70 2.411 17.838 1.063
538 HA SER 70 HA SER 70 -0.400 17.229 1.279
539 HB2 SER 70 HB2 SER 70 1.386 17.568 -1.162
540 HB3 SER 70 HB3 SER 70 -0.370 17.389 -1.234
541 HG SER 70 HG SER 70 -0.626 19.369 -0.448
542 H ASP 71 H ASP 71 2.478 15.383 0.259
543 HA ASP 71 HA ASP 71 1.050 13.059 -0.665
544 HB2 ASP 71 HB2 ASP 71 3.983 13.463 0.050
545 HB3 ASP 71 HB3 ASP 71 3.338 12.000 -0.695
546 H GLY 72 H GLY 72 1.559 14.160 2.479
547 HA2 GLY 72 HA2 GLY 72 1.489 11.513 3.754
548 HA3 GLY 72 HA3 GLY 72 1.488 13.072 4.565
549 H GLY 73 H GLY 73 -0.199 11.420 5.658
550 HA2 GLY 73 HA2 GLY 73 -2.408 11.986 6.444
551 HA3 GLY 73 HA3 GLY 73 -2.880 12.368 4.795
552 H GLU 74 H GLU 74 -4.597 10.973 4.578
553 HA GLU 74 HA GLU 74 -4.419 8.192 5.533
554 HB2 GLU 74 HB2 GLU 74 -6.817 9.800 4.559
555 HB3 GLU 74 HB3 GLU 74 -6.888 8.181 5.252
556 HG2 GLU 74 HG2 GLU 74 -6.070 9.040 7.404
557 HG3 GLU 74 HG3 GLU 74 -5.918 10.658 6.720
558 H PHE 75 H PHE 75 -4.228 6.491 4.201
559 HA PHE 75 HA PHE 75 -4.684 6.762 1.274
560 HB2 PHE 75 HB2 PHE 75 -2.739 4.889 2.700
561 HB3 PHE 75 HB3 PHE 75 -2.982 4.983 0.962
562 HD1 PHE 75 HD2 PHE 75 -1.903 7.080 3.889
563 HD2 PHE 75 HD1 PHE 75 -1.565 6.377 -0.313
564 HE1 PHE 75 HE2 PHE 75 -0.080 8.721 3.755
565 HE2 PHE 75 HE1 PHE 75 0.266 8.015 -0.434
566 HZ PHE 75 HZ PHE 75 1.013 9.185 1.600
567 H GLN 76 H GLN 76 -6.194 5.457 0.422
568 HA GLN 76 HA GLN 76 -7.384 3.243 1.989
569 HB2 GLN 76 HB2 GLN 76 -8.931 5.072 1.480
570 HB3 GLN 76 HB3 GLN 76 -8.501 5.023 -0.220
571 HG2 GLN 76 HG2 GLN 76 -10.626 4.022 -0.074
572 HG3 GLN 76 HG3 GLN 76 -9.499 2.692 -0.296
573 HE21 GLN 76 HE21 GLN 76 -12.168 2.613 0.757
574 HE22 GLN 76 HE22 GLN 76 -12.060 1.969 2.351
575 H CYS 77 H CYS 77 -6.266 1.425 1.374
576 HA CYS 77 HA CYS 77 -5.649 0.873 -1.472
577 HB2 CYS 77 HB2 CYS 77 -3.768 0.646 0.050
578 HB3 CYS 77 HB3 CYS 77 -4.694 -0.400 1.121
579 HG CYS 77 HG CYS 77 -4.342 -2.637 -0.169
580 H VAL 78 H VAL 78 -7.310 -0.201 -2.536
581 HA VAL 78 HA VAL 78 -9.186 -1.867 -0.934
582 HB VAL 78 HB VAL 78 -9.786 -0.665 -3.669
583 HG11 VAL 78 HG11 VAL 78 -11.632 -1.572 -1.430
584 HG12 VAL 78 HG12 VAL 78 -11.325 -2.432 -2.938
585 HG13 VAL 78 HG13 VAL 78 -12.151 -0.873 -2.968
586 HG21 VAL 78 HG21 VAL 78 -9.142 1.204 -2.227
587 HG22 VAL 78 HG22 VAL 78 -10.270 0.667 -0.980
588 HG23 VAL 78 HG23 VAL 78 -10.879 1.242 -2.533
589 H ALA 79 H ALA 79 -9.366 -4.036 -1.325
590 HA ALA 79 HA ALA 79 -9.289 -5.068 -4.033
591 HB1 ALA 79 HB1 ALA 79 -7.271 -6.197 -2.063
592 HB2 ALA 79 HB2 ALA 79 -6.896 -5.181 -3.452
593 HB3 ALA 79 HB3 ALA 79 -7.585 -6.784 -3.700
594 H GLY 80 H GLY 80 -11.235 -6.020 -3.985
595 HA2 GLY 80 HA2 GLY 80 -12.794 -7.668 -3.699
596 HA3 GLY 80 HA3 GLY 80 -11.572 -8.578 -2.837
597 H ASP 81 H ASP 81 -13.748 -5.797 -2.383
598 HA ASP 81 HA ASP 81 -15.162 -5.130 -0.755
599 HB2 ASP 81 HB2 ASP 81 -16.004 -7.473 -0.831
600 HB3 ASP 81 HB3 ASP 81 -14.823 -7.938 0.384
601 H GLU 82 H GLU 82 -11.968 -5.895 -0.074
602 HA GLU 82 HA GLU 82 -12.021 -4.980 2.722
603 HB2 GLU 82 HB2 GLU 82 -10.017 -6.611 1.132
604 HB3 GLU 82 HB3 GLU 82 -9.545 -5.820 2.632
605 HG2 GLU 82 HG2 GLU 82 -11.734 -7.889 2.339
606 HG3 GLU 82 HG3 GLU 82 -10.117 -8.174 2.981
607 H CYS 83 H CYS 83 -10.371 -3.609 3.467
608 HA CYS 83 HA CYS 83 -8.976 -1.875 1.558
609 HB2 CYS 83 HB2 CYS 83 -9.772 0.146 2.838
610 HB3 CYS 83 HB3 CYS 83 -11.050 -0.676 1.953
611 HG CYS 83 HG CYS 83 -12.601 -1.080 3.950
612 H ALA 84 H ALA 84 -6.956 -1.557 2.217
613 HA ALA 84 HA ALA 84 -6.045 -2.351 4.886
614 HB1 ALA 84 HB1 ALA 84 -4.487 -1.695 2.356
615 HB2 ALA 84 HB2 ALA 84 -4.886 -3.311 2.939
616 HB3 ALA 84 HB3 ALA 84 -3.791 -2.286 3.866
617 H TYR 85 H TYR 85 -5.316 -0.858 6.363
618 HA TYR 85 HA TYR 85 -6.054 1.936 5.777
619 HB2 TYR 85 HB2 TYR 85 -5.564 0.667 8.510
620 HB3 TYR 85 HB3 TYR 85 -6.445 2.154 8.158
621 HD1 TYR 85 HD2 TYR 85 -8.689 1.963 6.891
622 HD2 TYR 85 HD1 TYR 85 -6.712 -1.444 8.554
623 HE1 TYR 85 HE2 TYR 85 -10.779 0.677 6.740
624 HE2 TYR 85 HE1 TYR 85 -8.800 -2.735 8.390
625 HH TYR 85 HH TYR 85 -11.460 -1.725 6.579
626 H PHE 86 H PHE 86 -4.483 3.413 5.465
627 HA PHE 86 HA PHE 86 -1.887 3.207 6.909
628 HB2 PHE 86 HB2 PHE 86 -2.249 4.169 4.031
629 HB3 PHE 86 HB3 PHE 86 -0.736 4.165 4.925
630 HD1 PHE 86 HD2 PHE 86 0.415 2.003 5.429
631 HD2 PHE 86 HD1 PHE 86 -3.091 2.149 2.983
632 HE1 PHE 86 HE2 PHE 86 0.916 -0.246 4.567
633 HE2 PHE 86 HE1 PHE 86 -2.581 -0.102 2.134
634 HZ PHE 86 HZ PHE 86 -0.581 -1.299 2.918
635 H THR 87 H THR 87 -1.152 5.101 7.808
636 HA THR 87 HA THR 87 -2.278 7.711 7.066
637 HB THR 87 HB THR 87 -2.241 6.762 9.979
638 HG1 THR 87 HG1 THR 87 -4.088 6.286 8.214
639 HG21 THR 87 HG21 THR 87 -3.326 8.904 10.510
640 HG22 THR 87 HG22 THR 87 -3.245 9.390 8.816
641 HG23 THR 87 HG23 THR 87 -1.759 9.196 9.748
642 H VAL 88 H VAL 88 -0.415 8.617 6.386
643 HA VAL 88 HA VAL 88 2.112 8.210 7.834
644 HB VAL 88 HB VAL 88 1.581 9.493 5.110
645 HG11 VAL 88 HG11 VAL 88 4.044 9.412 4.767
646 HG12 VAL 88 HG12 VAL 88 4.260 8.854 6.429
647 HG13 VAL 88 HG13 VAL 88 3.615 10.466 6.116
648 HG21 VAL 88 HG21 VAL 88 2.764 6.769 5.802
649 HG22 VAL 88 HG22 VAL 88 2.608 7.439 4.177
650 HG23 VAL 88 HG23 VAL 88 1.163 7.063 5.114
651 H THR 89 H THR 89 2.307 9.577 9.532
652 HA THR 89 HA THR 89 1.299 12.320 9.484
653 HB THR 89 HB THR 89 2.790 10.879 11.731
654 HG1 THR 89 HG1 THR 89 0.689 10.492 12.553
655 HG21 THR 89 HG21 THR 89 1.013 13.362 11.813
656 HG22 THR 89 HG22 THR 89 2.771 13.361 11.985
657 HG23 THR 89 HG23 THR 89 1.763 12.583 13.208
658 H ILE 90 H ILE 90 2.548 13.936 8.689
659 HA ILE 90 HA ILE 90 5.505 13.684 8.651
660 HB ILE 90 HB ILE 90 3.667 15.506 7.035
661 HG12 ILE 90 HG12 ILE 90 5.252 13.032 6.184
662 HG13 ILE 90 HG13 ILE 90 3.504 13.112 6.389
663 HG21 ILE 90 HG21 ILE 90 6.692 15.183 6.796
664 HG22 ILE 90 HG22 ILE 90 5.843 16.615 7.383
665 HG23 ILE 90 HG23 ILE 90 5.671 16.119 5.699
666 HD11 ILE 90 HD11 ILE 90 3.382 14.727 4.548
667 HD12 ILE 90 HD12 ILE 90 4.092 13.188 4.069
668 HD13 ILE 90 HD13 ILE 90 5.130 14.587 4.331
Start of MODEL 14
1 H HIS 1 H1 HIS 1 -15.870 -19.019 -4.725
2 HA HIS 1 HA HIS 1 -13.630 -18.208 -4.919
3 HB2 HIS 1 HB2 HIS 1 -14.804 -16.083 -6.775
4 HB3 HIS 1 HB3 HIS 1 -13.125 -16.184 -6.254
5 HD1 HIS 1 HD1 HIS 1 -15.477 -17.408 -8.811
6 HD2 HIS 1 HD2 HIS 1 -11.675 -18.405 -7.451
7 HE1 HIS 1 HE1 HIS 1 -14.508 -18.906 -10.566
8 HE2 HIS 1 HE2 HIS 1 -12.255 -19.571 -9.687
9 H MET 2 H MET 2 -13.034 -16.877 -3.204
10 HA MET 2 HA MET 2 -15.116 -15.506 -1.712
11 HB2 MET 2 HB2 MET 2 -12.121 -15.634 -1.136
12 HB3 MET 2 HB3 MET 2 -13.363 -15.077 -0.023
13 HG2 MET 2 HG2 MET 2 -12.771 -17.255 0.681
14 HG3 MET 2 HG3 MET 2 -14.331 -17.425 -0.124
15 HE1 MET 2 HE1 MET 2 -10.703 -17.007 -1.728
16 HE2 MET 2 HE2 MET 2 -10.274 -18.701 -1.960
17 HE3 MET 2 HE3 MET 2 -10.461 -18.056 -0.330
18 HA PRO 3 HA PRO 3 -14.161 -11.205 -3.091
19 HB2 PRO 3 HB2 PRO 3 -14.543 -10.570 -0.162
20 HB3 PRO 3 HB3 PRO 3 -15.263 -9.787 -1.580
21 HG2 PRO 3 HG2 PRO 3 -16.730 -11.437 -0.075
22 HG3 PRO 3 HG3 PRO 3 -16.885 -11.469 -1.847
23 HD2 PRO 3 HD2 PRO 3 -15.408 -13.378 -0.034
24 HD3 PRO 3 HD3 PRO 3 -16.399 -13.726 -1.468
25 H VAL 4 H VAL 4 -12.120 -10.331 -3.289
26 HA VAL 4 HA VAL 4 -9.933 -11.660 -2.059
27 HB VAL 4 HB VAL 4 -9.663 -10.928 -4.315
28 HG11 VAL 4 HG11 VAL 4 -10.036 -8.066 -3.386
29 HG12 VAL 4 HG12 VAL 4 -11.173 -9.008 -4.349
30 HG13 VAL 4 HG13 VAL 4 -9.606 -8.568 -5.020
31 HG21 VAL 4 HG21 VAL 4 -7.597 -10.976 -2.956
32 HG22 VAL 4 HG22 VAL 4 -7.805 -9.267 -2.564
33 HG23 VAL 4 HG23 VAL 4 -7.495 -9.759 -4.229
34 H HIS 5 H HIS 5 -9.505 -11.417 0.003
35 HA HIS 5 HA HIS 5 -9.644 -8.794 1.354
36 HB2 HIS 5 HB2 HIS 5 -9.473 -11.609 2.522
37 HB3 HIS 5 HB3 HIS 5 -9.655 -10.121 3.448
38 HD1 HIS 5 HD1 HIS 5 -11.671 -12.755 2.892
39 HD2 HIS 5 HD2 HIS 5 -12.164 -8.759 1.864
40 HE1 HIS 5 HE1 HIS 5 -14.144 -12.411 2.695
41 HE2 HIS 5 HE2 HIS 5 -14.414 -9.950 2.286
42 H ILE 6 H ILE 6 -7.903 -8.623 3.197
43 HA ILE 6 HA ILE 6 -5.294 -8.866 1.798
44 HB ILE 6 HB ILE 6 -6.208 -6.834 3.885
45 HG12 ILE 6 HG12 ILE 6 -5.775 -6.537 0.865
46 HG13 ILE 6 HG13 ILE 6 -7.342 -6.590 1.660
47 HG21 ILE 6 HG21 ILE 6 -4.110 -5.610 3.359
48 HG22 ILE 6 HG22 ILE 6 -3.609 -6.922 2.292
49 HG23 ILE 6 HG23 ILE 6 -3.765 -7.207 4.025
50 HD11 ILE 6 HD11 ILE 6 -6.840 -4.470 2.767
51 HD12 ILE 6 HD12 ILE 6 -6.739 -4.347 1.012
52 HD13 ILE 6 HD13 ILE 6 -5.264 -4.430 1.971
53 H VAL 7 H VAL 7 -3.754 -10.129 2.645
54 HA VAL 7 HA VAL 7 -4.192 -11.546 5.151
55 HB VAL 7 HB VAL 7 -2.110 -12.842 4.515
56 HG11 VAL 7 HG11 VAL 7 -4.293 -12.736 2.398
57 HG12 VAL 7 HG12 VAL 7 -4.328 -13.680 3.888
58 HG13 VAL 7 HG13 VAL 7 -3.152 -14.065 2.633
59 HG21 VAL 7 HG21 VAL 7 -0.943 -11.103 3.179
60 HG22 VAL 7 HG22 VAL 7 -2.199 -11.202 1.943
61 HG23 VAL 7 HG23 VAL 7 -1.151 -12.589 2.251
62 H ASP 8 H ASP 8 -1.797 -9.230 3.896
63 HA ASP 8 HA ASP 8 -1.151 -8.274 6.534
64 HB2 ASP 8 HB2 ASP 8 0.320 -10.329 6.319
65 HB3 ASP 8 HB3 ASP 8 1.103 -9.578 4.932
66 HA PRO 9 HA PRO 9 -0.670 -6.411 7.408
67 HB2 PRO 9 HB2 PRO 9 -1.519 -3.852 7.601
68 HB3 PRO 9 HB3 PRO 9 0.185 -4.249 7.348
69 HG2 PRO 9 HG2 PRO 9 -1.877 -3.398 5.318
70 HG3 PRO 9 HG3 PRO 9 -0.212 -2.811 5.532
71 HD2 PRO 9 HD2 PRO 9 -0.909 -4.704 3.664
72 HD3 PRO 9 HD3 PRO 9 0.703 -4.628 4.407
73 H ARG 10 H ARG 10 -2.418 -7.368 8.226
74 HA ARG 10 HA ARG 10 -5.061 -7.241 7.028
75 HB2 ARG 10 HB2 ARG 10 -3.755 -9.274 8.111
76 HB3 ARG 10 HB3 ARG 10 -4.359 -8.656 9.635
77 HG2 ARG 10 HG2 ARG 10 -6.295 -9.259 7.399
78 HG3 ARG 10 HG3 ARG 10 -5.614 -10.584 8.337
79 HD2 ARG 10 HD2 ARG 10 -7.201 -8.259 9.477
80 HD3 ARG 10 HD3 ARG 10 -7.817 -9.884 9.183
81 HE ARG 10 HE ARG 10 -6.196 -10.689 10.852
82 HH11 ARG 10 HH11 ARG 10 -6.975 -7.313 11.004
83 HH12 ARG 10 HH12 ARG 10 -6.695 -7.239 12.706
84 HH21 ARG 10 HH21 ARG 10 -5.829 -10.537 13.004
85 HH22 ARG 10 HH22 ARG 10 -6.035 -9.023 13.816
86 H GLU 11 H GLU 11 -3.558 -5.015 8.837
87 HA GLU 11 HA GLU 11 -5.961 -4.113 10.309
88 HB2 GLU 11 HB2 GLU 11 -4.588 -3.534 12.274
89 HB3 GLU 11 HB3 GLU 11 -4.492 -5.257 11.928
90 HG2 GLU 11 HG2 GLU 11 -2.278 -4.962 10.895
91 HG3 GLU 11 HG3 GLU 11 -2.366 -3.220 11.164
92 H HIS 12 H HIS 12 -5.142 -1.798 11.388
93 HA HIS 12 HA HIS 12 -4.670 -0.017 9.113
94 HB2 HIS 12 HB2 HIS 12 -5.290 0.674 12.025
95 HB3 HIS 12 HB3 HIS 12 -5.371 1.768 10.646
96 HD1 HIS 12 HD1 HIS 12 -7.334 -0.746 12.511
97 HD2 HIS 12 HD2 HIS 12 -7.595 1.281 8.899
98 HE1 HIS 12 HE1 HIS 12 -9.673 -1.120 11.702
99 HE2 HIS 12 HE2 HIS 12 -9.863 0.295 9.635
100 H VAL 13 H VAL 13 -2.591 0.516 8.616
101 HA VAL 13 HA VAL 13 -0.454 0.407 10.637
102 HB VAL 13 HB VAL 13 -0.247 0.899 7.624
103 HG11 VAL 13 HG11 VAL 13 1.952 0.293 9.648
104 HG12 VAL 13 HG12 VAL 13 1.695 1.831 8.823
105 HG13 VAL 13 HG13 VAL 13 2.172 0.409 7.897
106 HG21 VAL 13 HG21 VAL 13 -1.121 -1.345 8.100
107 HG22 VAL 13 HG22 VAL 13 0.215 -1.658 9.209
108 HG23 VAL 13 HG23 VAL 13 0.530 -1.449 7.484
109 H PHE 14 H PHE 14 0.380 2.178 11.575
110 HA PHE 14 HA PHE 14 -0.383 4.877 10.620
111 HB2 PHE 14 HB2 PHE 14 0.654 4.046 13.370
112 HB3 PHE 14 HB3 PHE 14 0.019 5.627 12.921
113 HD1 PHE 14 HD2 PHE 14 -2.465 5.786 12.221
114 HD2 PHE 14 HD1 PHE 14 -0.829 2.332 14.148
115 HE1 PHE 14 HE2 PHE 14 -4.728 5.054 12.849
116 HE2 PHE 14 HE1 PHE 14 -3.099 1.604 14.761
117 HZ PHE 14 HZ PHE 14 -5.051 2.966 14.114
118 H VAL 15 H VAL 15 1.141 5.828 9.431
119 HA VAL 15 HA VAL 15 4.019 5.179 9.771
120 HB VAL 15 HB VAL 15 2.556 6.216 7.296
121 HG11 VAL 15 HG11 VAL 15 5.447 5.312 7.579
122 HG12 VAL 15 HG12 VAL 15 4.889 6.959 7.289
123 HG13 VAL 15 HG13 VAL 15 4.651 5.722 6.055
124 HG21 VAL 15 HG21 VAL 15 3.596 3.408 7.854
125 HG22 VAL 15 HG22 VAL 15 2.886 3.958 6.336
126 HG23 VAL 15 HG23 VAL 15 1.899 3.893 7.795
127 H HIS 16 H HIS 16 5.192 6.795 10.701
128 HA HIS 16 HA HIS 16 4.311 9.609 10.526
129 HB2 HIS 16 HB2 HIS 16 6.437 8.275 12.253
130 HB3 HIS 16 HB3 HIS 16 6.038 9.995 12.303
131 HD1 HIS 16 HD1 HIS 16 4.981 6.719 13.598
132 HD2 HIS 16 HD2 HIS 16 3.356 10.527 13.281
133 HE1 HIS 16 HE1 HIS 16 2.984 6.716 15.100
134 HE2 HIS 16 HE2 HIS 16 1.908 8.959 14.741
135 H ALA 17 H ALA 17 5.049 10.698 8.813
136 HA ALA 17 HA ALA 17 7.669 10.022 7.598
137 HB1 ALA 17 HB1 ALA 17 5.203 11.207 6.279
138 HB2 ALA 17 HB2 ALA 17 5.732 9.528 6.173
139 HB3 ALA 17 HB3 ALA 17 6.724 10.807 5.473
140 H ILE 18 H ILE 18 9.149 11.590 7.218
141 HA ILE 18 HA ILE 18 8.493 14.443 7.725
142 HB ILE 18 HB ILE 18 11.251 13.140 7.446
143 HG12 ILE 18 HG12 ILE 18 9.824 13.990 10.020
144 HG13 ILE 18 HG13 ILE 18 10.043 12.326 9.496
145 HG21 ILE 18 HG21 ILE 18 10.511 15.937 8.407
146 HG22 ILE 18 HG22 ILE 18 11.280 15.540 6.870
147 HG23 ILE 18 HG23 ILE 18 12.143 15.260 8.381
148 HD11 ILE 18 HD11 ILE 18 12.472 12.582 9.728
149 HD12 ILE 18 HD12 ILE 18 11.618 12.913 11.233
150 HD13 ILE 18 HD13 ILE 18 12.239 14.249 10.265
151 H THR 19 H THR 19 9.203 16.007 6.066
152 HA THR 19 HA THR 19 8.727 15.200 3.389
153 HB THR 19 HB THR 19 9.386 17.532 2.758
154 HG1 THR 19 HG1 THR 19 9.639 18.693 5.103
155 HG21 THR 19 HG21 THR 19 7.610 18.686 4.019
156 HG22 THR 19 HG22 THR 19 7.579 17.380 5.203
157 HG23 THR 19 HG23 THR 19 7.076 17.072 3.539
158 H SER 20 H SER 20 10.097 15.190 1.576
159 HA SER 20 HA SER 20 11.881 14.744 0.280
160 HB2 SER 20 HB2 SER 20 13.024 16.671 1.369
161 HB3 SER 20 HB3 SER 20 13.658 15.589 2.607
162 HG SER 20 HG SER 20 14.945 14.621 1.118
163 H GLU 21 H GLU 21 11.005 12.911 2.836
164 HA GLU 21 HA GLU 21 13.137 10.915 2.776
165 HB2 GLU 21 HB2 GLU 21 10.496 11.061 4.277
166 HB3 GLU 21 HB3 GLU 21 11.568 9.669 4.376
167 HG2 GLU 21 HG2 GLU 21 12.292 12.502 5.191
168 HG3 GLU 21 HG3 GLU 21 11.823 11.206 6.292
169 H CYS 22 H CYS 22 12.595 8.598 2.462
170 HA CYS 22 HA CYS 22 10.857 8.164 0.114
171 HB2 CYS 22 HB2 CYS 22 13.115 6.465 1.235
172 HB3 CYS 22 HB3 CYS 22 12.159 6.064 -0.191
173 HG CYS 22 HG CYS 22 13.481 9.099 -0.437
174 H VAL 23 H VAL 23 8.814 7.783 0.904
175 HA VAL 23 HA VAL 23 8.372 5.881 3.128
176 HB VAL 23 HB VAL 23 6.445 7.801 1.723
177 HG11 VAL 23 HG11 VAL 23 4.819 7.264 3.528
178 HG12 VAL 23 HG12 VAL 23 5.919 6.029 4.147
179 HG13 VAL 23 HG13 VAL 23 5.197 5.843 2.550
180 HG21 VAL 23 HG21 VAL 23 8.134 8.944 3.112
181 HG22 VAL 23 HG22 VAL 23 7.699 7.940 4.496
182 HG23 VAL 23 HG23 VAL 23 6.531 9.087 3.837
183 H MET 24 H MET 24 7.949 3.791 2.659
184 HA MET 24 HA MET 24 6.758 3.046 0.031
185 HB2 MET 24 HB2 MET 24 8.562 1.348 1.812
186 HB3 MET 24 HB3 MET 24 7.942 0.897 0.230
187 HG2 MET 24 HG2 MET 24 9.249 2.745 -0.785
188 HG3 MET 24 HG3 MET 24 9.903 3.130 0.807
189 HE1 MET 24 HE1 MET 24 9.834 0.514 -2.142
190 HE2 MET 24 HE2 MET 24 9.207 -0.444 -0.800
191 HE3 MET 24 HE3 MET 24 10.797 -0.804 -1.470
192 H LEU 25 H LEU 25 4.601 2.937 0.516
193 HA LEU 25 HA LEU 25 3.548 1.523 2.844
194 HB2 LEU 25 HB2 LEU 25 2.062 2.717 0.467
195 HB3 LEU 25 HB3 LEU 25 1.364 2.264 2.017
196 HG LEU 25 HG LEU 25 3.362 4.521 1.581
197 HD11 LEU 25 HD11 LEU 25 0.391 4.678 2.163
198 HD12 LEU 25 HD12 LEU 25 1.175 5.062 0.628
199 HD13 LEU 25 HD13 LEU 25 1.507 6.044 2.052
200 HD21 LEU 25 HD21 LEU 25 3.640 3.540 3.810
201 HD22 LEU 25 HD22 LEU 25 1.911 3.705 4.127
202 HD23 LEU 25 HD23 LEU 25 2.916 5.142 3.927
203 H ALA 26 H ALA 26 3.820 -0.706 2.674
204 HA ALA 26 HA ALA 26 3.350 -2.057 0.081
205 HB1 ALA 26 HB1 ALA 26 4.648 -3.925 1.000
206 HB2 ALA 26 HB2 ALA 26 4.785 -3.089 2.549
207 HB3 ALA 26 HB3 ALA 26 5.556 -2.415 1.113
208 H CYS 27 H CYS 27 1.580 -3.255 -0.220
209 HA CYS 27 HA CYS 27 0.101 -4.458 2.040
210 HB2 CYS 27 HB2 CYS 27 -1.120 -2.429 1.362
211 HB3 CYS 27 HB3 CYS 27 -1.150 -2.974 -0.311
212 HG CYS 27 HG CYS 27 -2.600 -5.394 0.635
213 H GLU 28 H GLU 28 -0.342 -6.593 1.754
214 HA GLU 28 HA GLU 28 -0.399 -7.719 -0.989
215 HB2 GLU 28 HB2 GLU 28 0.819 -8.935 1.512
216 HB3 GLU 28 HB3 GLU 28 0.388 -9.915 0.111
217 HG2 GLU 28 HG2 GLU 28 1.910 -8.542 -1.297
218 HG3 GLU 28 HG3 GLU 28 2.382 -7.634 0.136
219 H VAL 29 H VAL 29 -2.098 -8.844 -1.559
220 HA VAL 29 HA VAL 29 -4.323 -9.284 0.324
221 HB VAL 29 HB VAL 29 -5.691 -9.583 -1.744
222 HG11 VAL 29 HG11 VAL 29 -4.027 -7.033 -1.744
223 HG12 VAL 29 HG12 VAL 29 -5.471 -7.334 -0.776
224 HG13 VAL 29 HG13 VAL 29 -5.594 -7.240 -2.531
225 HG21 VAL 29 HG21 VAL 29 -3.993 -10.536 -3.252
226 HG22 VAL 29 HG22 VAL 29 -3.093 -9.015 -3.246
227 HG23 VAL 29 HG23 VAL 29 -4.700 -9.092 -3.981
228 H ASP 30 H ASP 30 -5.748 -11.327 -0.552
229 HA ASP 30 HA ASP 30 -4.046 -13.667 -0.106
230 HB2 ASP 30 HB2 ASP 30 -6.042 -14.873 0.433
231 HB3 ASP 30 HB3 ASP 30 -6.176 -13.298 1.197
232 H ARG 31 H ARG 31 -5.854 -12.202 -2.733
233 HA ARG 31 HA ARG 31 -5.297 -14.538 -4.490
234 HB2 ARG 31 HB2 ARG 31 -7.551 -12.501 -4.770
235 HB3 ARG 31 HB3 ARG 31 -7.201 -13.790 -5.921
236 HG2 ARG 31 HG2 ARG 31 -7.544 -15.424 -4.002
237 HG3 ARG 31 HG3 ARG 31 -8.180 -14.065 -3.080
238 HD2 ARG 31 HD2 ARG 31 -9.304 -15.020 -5.730
239 HD3 ARG 31 HD3 ARG 31 -9.934 -15.490 -4.154
240 HE ARG 31 HE ARG 31 -10.505 -13.144 -3.779
241 HH11 ARG 31 HH11 ARG 31 -9.955 -14.017 -7.093
242 HH12 ARG 31 HH12 ARG 31 -11.033 -12.797 -7.677
243 HH21 ARG 31 HH21 ARG 31 -11.875 -11.642 -4.579
244 HH22 ARG 31 HH22 ARG 31 -12.099 -11.492 -6.283
245 H GLU 32 H GLU 32 -3.624 -14.191 -5.742
246 HA GLU 32 HA GLU 32 -2.412 -11.793 -6.527
247 HB2 GLU 32 HB2 GLU 32 -1.238 -13.920 -6.608
248 HB3 GLU 32 HB3 GLU 32 -2.383 -14.572 -7.775
249 HG2 GLU 32 HG2 GLU 32 -1.554 -13.079 -9.504
250 HG3 GLU 32 HG3 GLU 32 -0.504 -12.264 -8.350
251 H ASP 33 H ASP 33 -5.132 -13.490 -7.902
252 HA ASP 33 HA ASP 33 -5.280 -12.606 -10.533
253 HB2 ASP 33 HB2 ASP 33 -7.684 -12.985 -8.694
254 HB3 ASP 33 HB3 ASP 33 -7.636 -13.194 -10.442
255 H ALA 34 H ALA 34 -6.058 -10.855 -7.604
256 HA ALA 34 HA ALA 34 -7.654 -8.821 -9.035
257 HB1 ALA 34 HB1 ALA 34 -8.620 -8.339 -6.824
258 HB2 ALA 34 HB2 ALA 34 -7.570 -9.563 -6.099
259 HB3 ALA 34 HB3 ALA 34 -8.806 -10.040 -7.263
260 HA PRO 35 HA PRO 35 -4.140 -5.910 -8.128
261 HB2 PRO 35 HB2 PRO 35 -5.755 -4.208 -10.000
262 HB3 PRO 35 HB3 PRO 35 -4.037 -4.621 -10.063
263 HG2 PRO 35 HG2 PRO 35 -5.759 -5.701 -11.804
264 HG3 PRO 35 HG3 PRO 35 -4.434 -6.672 -11.124
265 HD2 PRO 35 HD2 PRO 35 -7.348 -6.613 -10.301
266 HD3 PRO 35 HD3 PRO 35 -6.287 -8.014 -10.588
267 H VAL 36 H VAL 36 -4.198 -4.368 -6.474
268 HA VAL 36 HA VAL 36 -6.748 -3.588 -5.325
269 HB VAL 36 HB VAL 36 -5.556 -2.511 -3.539
270 HG11 VAL 36 HG11 VAL 36 -5.553 -4.965 -3.429
271 HG12 VAL 36 HG12 VAL 36 -4.095 -4.307 -2.686
272 HG13 VAL 36 HG13 VAL 36 -4.017 -5.020 -4.299
273 HG21 VAL 36 HG21 VAL 36 -3.881 -1.232 -4.803
274 HG22 VAL 36 HG22 VAL 36 -3.000 -2.711 -5.183
275 HG23 VAL 36 HG23 VAL 36 -3.097 -2.147 -3.514
276 H ARG 37 H ARG 37 -7.389 -1.413 -4.923
277 HA ARG 37 HA ARG 37 -6.750 0.533 -7.060
278 HB2 ARG 37 HB2 ARG 37 -9.197 0.228 -5.252
279 HB3 ARG 37 HB3 ARG 37 -9.014 1.475 -6.476
280 HG2 ARG 37 HG2 ARG 37 -8.827 -1.408 -7.328
281 HG3 ARG 37 HG3 ARG 37 -10.415 -0.749 -6.948
282 HD2 ARG 37 HD2 ARG 37 -8.528 0.551 -8.949
283 HD3 ARG 37 HD3 ARG 37 -9.738 -0.657 -9.399
284 HE ARG 37 HE ARG 37 -11.274 1.092 -8.136
285 HH11 ARG 37 HH11 ARG 37 -8.803 1.803 -10.462
286 HH12 ARG 37 HH12 ARG 37 -9.651 3.181 -11.069
287 HH21 ARG 37 HH21 ARG 37 -12.313 2.833 -8.939
288 HH22 ARG 37 HH22 ARG 37 -11.608 3.751 -10.224
289 H TRP 38 H TRP 38 -5.321 2.095 -6.345
290 HA TRP 38 HA TRP 38 -5.000 2.609 -3.484
291 HB2 TRP 38 HB2 TRP 38 -3.410 3.518 -5.912
292 HB3 TRP 38 HB3 TRP 38 -3.127 4.200 -4.318
293 HD1 TRP 38 HD1 TRP 38 -2.498 1.027 -6.354
294 HE1 TRP 38 HE1 TRP 38 -0.848 -0.456 -5.058
295 HE3 TRP 38 HE3 TRP 38 -2.429 3.548 -1.898
296 HZ2 TRP 38 HZ2 TRP 38 0.324 -0.567 -2.501
297 HZ3 TRP 38 HZ3 TRP 38 -1.017 2.686 -0.072
298 HH2 TRP 38 HH2 TRP 38 0.334 0.665 -0.369
299 H TYR 39 H TYR 39 -6.039 4.137 -2.459
300 HA TYR 39 HA TYR 39 -6.819 6.687 -3.773
301 HB2 TYR 39 HB2 TYR 39 -8.373 5.082 -1.689
302 HB3 TYR 39 HB3 TYR 39 -8.784 6.728 -2.169
303 HD1 TYR 39 HD2 TYR 39 -9.534 7.187 -4.533
304 HD2 TYR 39 HD1 TYR 39 -9.034 3.198 -3.090
305 HE1 TYR 39 HE2 TYR 39 -10.870 6.339 -6.406
306 HE2 TYR 39 HE1 TYR 39 -10.372 2.358 -4.971
307 HH TYR 39 HH TYR 39 -11.165 4.297 -7.660
308 H LYS 40 H LYS 40 -7.316 8.377 -1.975
309 HA LYS 40 HA LYS 40 -5.687 8.018 0.455
310 HB2 LYS 40 HB2 LYS 40 -4.345 9.345 -1.203
311 HB3 LYS 40 HB3 LYS 40 -5.625 10.552 -1.230
312 HG2 LYS 40 HG2 LYS 40 -5.225 10.732 1.344
313 HG3 LYS 40 HG3 LYS 40 -3.712 9.878 1.019
314 HD2 LYS 40 HD2 LYS 40 -3.069 11.674 -0.584
315 HD3 LYS 40 HD3 LYS 40 -4.573 12.521 -0.214
316 HE2 LYS 40 HE2 LYS 40 -3.751 12.501 2.244
317 HE3 LYS 40 HE3 LYS 40 -2.173 12.089 1.576
318 HZ1 LYS 40 HZ1 LYS 40 -2.389 14.448 1.911
319 HZ2 LYS 40 HZ2 LYS 40 -3.770 14.504 0.937
320 HZ3 LYS 40 HZ3 LYS 40 -2.272 14.115 0.257
321 H ASP 41 H ASP 41 -7.366 10.956 -0.655
322 HA ASP 41 HA ASP 41 -9.510 10.510 1.332
323 HB2 ASP 41 HB2 ASP 41 -7.739 12.181 2.093
324 HB3 ASP 41 HB3 ASP 41 -8.207 13.212 0.744
325 H GLY 42 H GLY 42 -10.845 9.744 -0.297
326 HA2 GLY 42 HA2 GLY 42 -12.661 10.019 -1.725
327 HA3 GLY 42 HA3 GLY 42 -12.227 11.700 -1.954
328 H GLN 43 H GLN 43 -9.691 11.587 -2.978
329 HA GLN 43 HA GLN 43 -10.187 10.634 -5.707
330 HB2 GLN 43 HB2 GLN 43 -7.891 12.326 -4.622
331 HB3 GLN 43 HB3 GLN 43 -8.146 11.938 -6.317
332 HG2 GLN 43 HG2 GLN 43 -8.890 14.157 -6.070
333 HG3 GLN 43 HG3 GLN 43 -10.357 13.189 -6.148
334 HE21 GLN 43 HE21 GLN 43 -11.695 13.097 -4.311
335 HE22 GLN 43 HE22 GLN 43 -11.460 14.124 -2.946
336 H GLU 44 H GLU 44 -8.655 9.394 -6.898
337 HA GLU 44 HA GLU 44 -7.247 7.330 -5.448
338 HB2 GLU 44 HB2 GLU 44 -6.773 6.321 -7.595
339 HB3 GLU 44 HB3 GLU 44 -8.444 6.854 -7.597
340 HG2 GLU 44 HG2 GLU 44 -6.174 8.380 -8.920
341 HG3 GLU 44 HG3 GLU 44 -7.197 7.216 -9.754
342 H VAL 45 H VAL 45 -4.966 6.753 -6.000
343 HA VAL 45 HA VAL 45 -3.216 9.099 -6.507
344 HB VAL 45 HB VAL 45 -2.464 6.658 -4.824
345 HG11 VAL 45 HG11 VAL 45 -0.542 7.788 -5.863
346 HG12 VAL 45 HG12 VAL 45 -0.530 8.043 -4.118
347 HG13 VAL 45 HG13 VAL 45 -1.062 9.337 -5.195
348 HG21 VAL 45 HG21 VAL 45 -4.245 7.901 -3.660
349 HG22 VAL 45 HG22 VAL 45 -3.338 9.405 -3.831
350 HG23 VAL 45 HG23 VAL 45 -2.705 8.101 -2.824
351 H GLU 46 H GLU 46 -2.594 8.899 -8.575
352 HA GLU 46 HA GLU 46 -1.779 6.271 -9.696
353 HB2 GLU 46 HB2 GLU 46 -2.573 8.849 -11.135
354 HB3 GLU 46 HB3 GLU 46 -2.126 7.340 -11.925
355 HG2 GLU 46 HG2 GLU 46 -4.093 6.220 -11.025
356 HG3 GLU 46 HG3 GLU 46 -4.514 7.641 -10.073
357 H GLU 47 H GLU 47 0.051 6.512 -11.387
358 HA GLU 47 HA GLU 47 2.368 7.533 -10.081
359 HB2 GLU 47 HB2 GLU 47 2.032 6.463 -12.913
360 HB3 GLU 47 HB3 GLU 47 3.582 6.773 -12.131
361 HG2 GLU 47 HG2 GLU 47 2.845 5.121 -10.309
362 HG3 GLU 47 HG3 GLU 47 1.510 4.693 -11.375
363 H SER 48 H SER 48 3.456 9.443 -10.314
364 HA SER 48 HA SER 48 2.716 11.464 -12.309
365 HB2 SER 48 HB2 SER 48 0.917 11.446 -10.506
366 HB3 SER 48 HB3 SER 48 2.126 11.975 -9.354
367 HG SER 48 HG SER 48 0.724 13.417 -11.165
368 H ASP 49 H ASP 49 3.595 13.691 -10.570
369 HA ASP 49 HA ASP 49 6.374 13.742 -10.857
370 HB2 ASP 49 HB2 ASP 49 4.835 15.342 -8.777
371 HB3 ASP 49 HB3 ASP 49 6.339 15.785 -9.579
372 H PHE 50 H PHE 50 7.093 11.768 -10.065
373 HA PHE 50 HA PHE 50 8.654 10.788 -8.726
374 HB2 PHE 50 HB2 PHE 50 7.669 12.617 -6.498
375 HB3 PHE 50 HB3 PHE 50 8.866 11.358 -6.224
376 HD1 PHE 50 HD1 PHE 50 11.063 11.464 -7.559
377 HD2 PHE 50 HD2 PHE 50 8.355 14.771 -7.319
378 HE1 PHE 50 HE1 PHE 50 12.863 13.001 -8.229
379 HE2 PHE 50 HE2 PHE 50 10.164 16.298 -7.995
380 HZ PHE 50 HZ PHE 50 12.421 15.413 -8.450
381 H VAL 51 H VAL 51 5.278 10.909 -8.082
382 HA VAL 51 HA VAL 51 5.042 8.741 -6.254
383 HB VAL 51 HB VAL 51 2.969 9.599 -8.329
384 HG11 VAL 51 HG11 VAL 51 1.314 8.698 -6.723
385 HG12 VAL 51 HG12 VAL 51 2.622 8.204 -5.645
386 HG13 VAL 51 HG13 VAL 51 2.458 7.453 -7.234
387 HG21 VAL 51 HG21 VAL 51 3.684 11.588 -7.059
388 HG22 VAL 51 HG22 VAL 51 3.375 10.750 -5.537
389 HG23 VAL 51 HG23 VAL 51 2.036 11.133 -6.621
390 H VAL 52 H VAL 52 5.709 6.694 -6.697
391 HA VAL 52 HA VAL 52 5.182 5.532 -9.385
392 HB VAL 52 HB VAL 52 7.166 4.062 -9.102
393 HG11 VAL 52 HG11 VAL 52 7.856 7.020 -8.875
394 HG12 VAL 52 HG12 VAL 52 7.450 6.155 -10.358
395 HG13 VAL 52 HG13 VAL 52 8.930 5.760 -9.487
396 HG21 VAL 52 HG21 VAL 52 8.863 4.498 -7.348
397 HG22 VAL 52 HG22 VAL 52 7.330 3.983 -6.645
398 HG23 VAL 52 HG23 VAL 52 7.788 5.686 -6.600
399 H LEU 53 H LEU 53 4.115 3.653 -9.477
400 HA LEU 53 HA LEU 53 3.364 2.223 -6.976
401 HB2 LEU 53 HB2 LEU 53 1.832 2.552 -9.587
402 HB3 LEU 53 HB3 LEU 53 1.316 1.510 -8.272
403 HG LEU 53 HG LEU 53 1.618 4.533 -8.021
404 HD11 LEU 53 HD11 LEU 53 -0.831 4.653 -8.066
405 HD12 LEU 53 HD12 LEU 53 -0.925 2.921 -8.395
406 HD13 LEU 53 HD13 LEU 53 -0.197 4.009 -9.579
407 HD21 LEU 53 HD21 LEU 53 0.352 2.524 -6.121
408 HD22 LEU 53 HD22 LEU 53 0.406 4.273 -5.900
409 HD23 LEU 53 HD23 LEU 53 1.899 3.341 -5.882
410 H GLU 54 H GLU 54 4.499 0.346 -6.834
411 HA GLU 54 HA GLU 54 5.402 -1.031 -9.281
412 HB2 GLU 54 HB2 GLU 54 6.263 -1.336 -6.384
413 HB3 GLU 54 HB3 GLU 54 6.885 -2.322 -7.706
414 HG2 GLU 54 HG2 GLU 54 7.747 -0.264 -8.812
415 HG3 GLU 54 HG3 GLU 54 7.159 0.692 -7.454
416 H ASN 55 H ASN 55 4.507 -2.828 -9.993
417 HA ASN 55 HA ASN 55 2.358 -4.147 -8.418
418 HB2 ASN 55 HB2 ASN 55 2.651 -3.887 -11.455
419 HB3 ASN 55 HB3 ASN 55 1.317 -4.671 -10.622
420 HD21 ASN 55 HD21 ASN 55 2.791 -1.485 -9.878
421 HD22 ASN 55 HD22 ASN 55 1.365 -0.589 -10.202
422 H GLU 56 H GLU 56 3.000 -6.203 -7.748
423 HA GLU 56 HA GLU 56 3.930 -8.094 -9.761
424 HB2 GLU 56 HB2 GLU 56 6.080 -7.217 -8.910
425 HB3 GLU 56 HB3 GLU 56 5.614 -7.610 -7.258
426 HG2 GLU 56 HG2 GLU 56 7.212 -9.242 -8.200
427 HG3 GLU 56 HG3 GLU 56 5.686 -9.993 -7.749
428 H GLY 57 H GLY 57 2.065 -9.268 -9.523
429 HA2 GLY 57 HA2 GLY 57 0.574 -10.788 -8.678
430 HA3 GLY 57 HA3 GLY 57 1.821 -11.224 -7.528
431 HA PRO 58 HA PRO 58 -1.259 -9.400 -4.620
432 HB2 PRO 58 HB2 PRO 58 -0.224 -10.476 -2.327
433 HB3 PRO 58 HB3 PRO 58 -1.232 -11.414 -3.437
434 HG2 PRO 58 HG2 PRO 58 1.777 -11.344 -3.219
435 HG3 PRO 58 HG3 PRO 58 0.702 -12.754 -3.350
436 HD2 PRO 58 HD2 PRO 58 2.030 -11.741 -5.504
437 HD3 PRO 58 HD3 PRO 58 0.426 -12.493 -5.655
438 H HIS 59 H HIS 59 2.215 -9.050 -4.841
439 HA HIS 59 HA HIS 59 2.598 -7.181 -2.681
440 HB2 HIS 59 HB2 HIS 59 4.406 -7.813 -5.060
441 HB3 HIS 59 HB3 HIS 59 4.880 -6.859 -3.663
442 HD1 HIS 59 HD1 HIS 59 6.213 -8.155 -2.042
443 HD2 HIS 59 HD2 HIS 59 3.591 -10.603 -4.135
444 HE1 HIS 59 HE1 HIS 59 6.719 -10.486 -1.279
445 HE2 HIS 59 HE2 HIS 59 5.035 -11.931 -2.455
446 H ARG 60 H ARG 60 1.421 -5.361 -2.851
447 HA ARG 60 HA ARG 60 1.746 -3.580 -5.209
448 HB2 ARG 60 HB2 ARG 60 -0.653 -4.036 -3.382
449 HB3 ARG 60 HB3 ARG 60 -0.529 -2.629 -4.433
450 HG2 ARG 60 HG2 ARG 60 -0.500 -5.511 -5.397
451 HG3 ARG 60 HG3 ARG 60 -1.914 -4.449 -5.405
452 HD2 ARG 60 HD2 ARG 60 -0.716 -2.877 -6.902
453 HD3 ARG 60 HD3 ARG 60 0.681 -3.956 -6.907
454 HE ARG 60 HE ARG 60 -0.828 -5.638 -7.976
455 HH11 ARG 60 HH11 ARG 60 -1.705 -2.301 -8.247
456 HH12 ARG 60 HH12 ARG 60 -2.302 -2.491 -9.854
457 HH21 ARG 60 HH21 ARG 60 -1.576 -5.825 -10.056
458 HH22 ARG 60 HH22 ARG 60 -2.237 -4.436 -10.852
459 H ARG 61 H ARG 61 3.124 -1.946 -4.666
460 HA ARG 61 HA ARG 61 2.855 -0.726 -1.980
461 HB2 ARG 61 HB2 ARG 61 5.289 -0.495 -1.766
462 HB3 ARG 61 HB3 ARG 61 4.794 -2.177 -1.869
463 HG2 ARG 61 HG2 ARG 61 5.525 -2.238 -4.245
464 HG3 ARG 61 HG3 ARG 61 6.057 -0.559 -4.109
465 HD2 ARG 61 HD2 ARG 61 7.629 -1.231 -2.295
466 HD3 ARG 61 HD3 ARG 61 7.130 -2.911 -2.512
467 HE ARG 61 HE ARG 61 8.121 -1.698 -4.922
468 HH11 ARG 61 HH11 ARG 61 9.109 -3.332 -2.027
469 HH12 ARG 61 HH12 ARG 61 10.629 -3.804 -2.699
470 HH21 ARG 61 HH21 ARG 61 10.075 -2.299 -5.740
471 HH22 ARG 61 HH22 ARG 61 11.173 -3.224 -4.774
472 H LEU 62 H LEU 62 2.753 1.376 -1.868
473 HA LEU 62 HA LEU 62 3.193 3.108 -4.210
474 HB2 LEU 62 HB2 LEU 62 1.066 3.122 -2.746
475 HB3 LEU 62 HB3 LEU 62 2.030 3.869 -1.487
476 HG LEU 62 HG LEU 62 1.602 5.127 -4.240
477 HD11 LEU 62 HD11 LEU 62 0.027 5.645 -1.700
478 HD12 LEU 62 HD12 LEU 62 -0.573 4.865 -3.165
479 HD13 LEU 62 HD13 LEU 62 -0.105 6.560 -3.203
480 HD21 LEU 62 HD21 LEU 62 2.257 7.241 -3.154
481 HD22 LEU 62 HD22 LEU 62 3.549 6.049 -3.062
482 HD23 LEU 62 HD23 LEU 62 2.558 6.381 -1.640
483 H VAL 63 H VAL 63 5.260 3.837 -4.381
484 HA VAL 63 HA VAL 63 6.824 4.439 -1.932
485 HB VAL 63 HB VAL 63 7.870 3.951 -4.756
486 HG11 VAL 63 HG11 VAL 63 10.102 3.790 -3.694
487 HG12 VAL 63 HG12 VAL 63 9.391 4.203 -2.133
488 HG13 VAL 63 HG13 VAL 63 9.379 5.379 -3.448
489 HG21 VAL 63 HG21 VAL 63 6.878 1.887 -3.836
490 HG22 VAL 63 HG22 VAL 63 7.880 2.032 -2.392
491 HG23 VAL 63 HG23 VAL 63 8.632 1.741 -3.963
492 H LEU 64 H LEU 64 7.332 6.491 -1.490
493 HA LEU 64 HA LEU 64 7.183 8.584 -3.576
494 HB2 LEU 64 HB2 LEU 64 5.648 8.427 -1.186
495 HB3 LEU 64 HB3 LEU 64 6.874 9.627 -0.837
496 HG LEU 64 HG LEU 64 4.945 10.794 -1.649
497 HD11 LEU 64 HD11 LEU 64 7.089 11.674 -2.466
498 HD12 LEU 64 HD12 LEU 64 5.784 11.984 -3.608
499 HD13 LEU 64 HD13 LEU 64 6.950 10.693 -3.931
500 HD21 LEU 64 HD21 LEU 64 3.780 8.942 -2.726
501 HD22 LEU 64 HD22 LEU 64 4.933 8.956 -4.064
502 HD23 LEU 64 HD23 LEU 64 3.860 10.334 -3.805
503 HA PRO 65 HA PRO 65 11.685 8.337 -2.415
504 HB2 PRO 65 HB2 PRO 65 12.510 9.859 -4.616
505 HB3 PRO 65 HB3 PRO 65 12.278 8.110 -4.631
506 HG2 PRO 65 HG2 PRO 65 10.364 10.270 -5.498
507 HG3 PRO 65 HG3 PRO 65 10.793 8.757 -6.328
508 HD2 PRO 65 HD2 PRO 65 8.514 8.926 -4.956
509 HD3 PRO 65 HD3 PRO 65 9.493 7.442 -4.863
510 H ALA 66 H ALA 66 10.125 11.364 -3.563
511 HA ALA 66 HA ALA 66 11.399 12.837 -1.318
512 HB1 ALA 66 HB1 ALA 66 11.206 14.880 -2.687
513 HB2 ALA 66 HB2 ALA 66 10.497 13.946 -4.006
514 HB3 ALA 66 HB3 ALA 66 12.168 13.657 -3.521
515 H THR 67 H THR 67 9.719 12.228 0.115
516 HA THR 67 HA THR 67 6.942 12.434 -0.419
517 HB THR 67 HB THR 67 8.355 12.393 2.286
518 HG1 THR 67 HG1 THR 67 8.497 10.567 0.586
519 HG21 THR 67 HG21 THR 67 6.219 11.514 3.188
520 HG22 THR 67 HG22 THR 67 5.454 11.738 1.615
521 HG23 THR 67 HG23 THR 67 6.000 13.140 2.537
522 H GLN 68 H GLN 68 5.592 14.111 -0.371
523 HA GLN 68 HA GLN 68 6.595 16.832 0.205
524 HB2 GLN 68 HB2 GLN 68 4.086 15.951 -1.304
525 HB3 GLN 68 HB3 GLN 68 4.816 17.559 -1.323
526 HG2 GLN 68 HG2 GLN 68 6.676 16.807 -2.630
527 HG3 GLN 68 HG3 GLN 68 6.288 15.110 -2.349
528 HE21 GLN 68 HE21 GLN 68 4.409 14.235 -3.392
529 HE22 GLN 68 HE22 GLN 68 3.840 14.916 -4.874
530 HA PRO 69 HA PRO 69 3.942 17.447 3.830
531 HB2 PRO 69 HB2 PRO 69 2.964 20.002 2.550
532 HB3 PRO 69 HB3 PRO 69 3.653 19.741 4.160
533 HG2 PRO 69 HG2 PRO 69 5.127 20.866 2.247
534 HG3 PRO 69 HG3 PRO 69 5.859 19.676 3.350
535 HD2 PRO 69 HD2 PRO 69 4.935 19.305 0.498
536 HD3 PRO 69 HD3 PRO 69 6.392 18.676 1.299
537 H SER 70 H SER 70 2.409 18.037 0.676
538 HA SER 70 HA SER 70 -0.296 17.581 1.630
539 HB2 SER 70 HB2 SER 70 -0.972 17.941 -0.720
540 HB3 SER 70 HB3 SER 70 0.113 19.215 -0.163
541 HG SER 70 HG SER 70 0.615 17.102 -1.946
542 H ASP 71 H ASP 71 2.134 15.362 1.032
543 HA ASP 71 HA ASP 71 0.305 13.223 0.195
544 HB2 ASP 71 HB2 ASP 71 3.232 13.164 1.052
545 HB3 ASP 71 HB3 ASP 71 2.315 11.719 0.625
546 H GLY 72 H GLY 72 0.747 14.892 3.030
547 HA2 GLY 72 HA2 GLY 72 0.570 12.898 5.041
548 HA3 GLY 72 HA3 GLY 72 0.067 14.572 5.192
549 H GLY 73 H GLY 73 -1.006 11.339 4.943
550 HA2 GLY 73 HA2 GLY 73 -3.579 11.731 5.811
551 HA3 GLY 73 HA3 GLY 73 -3.716 11.849 4.062
552 H GLU 74 H GLU 74 -5.227 9.950 4.829
553 HA GLU 74 HA GLU 74 -3.843 7.417 5.347
554 HB2 GLU 74 HB2 GLU 74 -6.815 8.034 5.149
555 HB3 GLU 74 HB3 GLU 74 -6.128 6.481 5.627
556 HG2 GLU 74 HG2 GLU 74 -5.014 7.691 7.569
557 HG3 GLU 74 HG3 GLU 74 -5.975 9.106 7.140
558 H PHE 75 H PHE 75 -3.043 6.357 3.595
559 HA PHE 75 HA PHE 75 -4.358 6.461 0.987
560 HB2 PHE 75 HB2 PHE 75 -1.732 5.198 1.883
561 HB3 PHE 75 HB3 PHE 75 -2.344 5.128 0.230
562 HD1 PHE 75 HD2 PHE 75 -1.097 7.439 2.874
563 HD2 PHE 75 HD1 PHE 75 -2.136 7.022 -1.250
564 HE1 PHE 75 HE2 PHE 75 -0.055 9.606 2.383
565 HE2 PHE 75 HE1 PHE 75 -1.095 9.198 -1.729
566 HZ PHE 75 HZ PHE 75 -0.049 10.493 0.087
567 H GLN 76 H GLN 76 -5.677 4.938 0.266
568 HA GLN 76 HA GLN 76 -6.268 2.604 1.989
569 HB2 GLN 76 HB2 GLN 76 -8.071 4.198 0.112
570 HB3 GLN 76 HB3 GLN 76 -8.592 2.840 1.108
571 HG2 GLN 76 HG2 GLN 76 -8.224 4.078 3.139
572 HG3 GLN 76 HG3 GLN 76 -7.397 5.372 2.272
573 HE21 GLN 76 HE21 GLN 76 -10.390 3.917 1.078
574 HE22 GLN 76 HE22 GLN 76 -11.366 5.310 1.352
575 H CYS 77 H CYS 77 -5.409 0.771 1.112
576 HA CYS 77 HA CYS 77 -5.395 0.231 -1.754
577 HB2 CYS 77 HB2 CYS 77 -4.752 -1.657 0.557
578 HB3 CYS 77 HB3 CYS 77 -4.352 -1.902 -1.143
579 HG CYS 77 HG CYS 77 -3.131 0.916 0.183
580 H VAL 78 H VAL 78 -7.569 0.133 -2.403
581 HA VAL 78 HA VAL 78 -9.508 -1.509 -0.967
582 HB VAL 78 HB VAL 78 -9.811 0.040 -3.584
583 HG11 VAL 78 HG11 VAL 78 -11.482 -1.756 -3.455
584 HG12 VAL 78 HG12 VAL 78 -12.262 -0.191 -3.237
585 HG13 VAL 78 HG13 VAL 78 -11.964 -1.229 -1.840
586 HG21 VAL 78 HG21 VAL 78 -9.320 1.532 -1.692
587 HG22 VAL 78 HG22 VAL 78 -10.637 0.817 -0.759
588 HG23 VAL 78 HG23 VAL 78 -10.991 1.737 -2.223
589 H ALA 79 H ALA 79 -9.030 -3.617 -1.156
590 HA ALA 79 HA ALA 79 -8.142 -4.865 -3.634
591 HB1 ALA 79 HB1 ALA 79 -8.821 -6.089 -0.938
592 HB2 ALA 79 HB2 ALA 79 -7.214 -5.577 -1.461
593 HB3 ALA 79 HB3 ALA 79 -8.025 -6.913 -2.280
594 H GLY 80 H GLY 80 -10.845 -5.487 -1.385
595 HA2 GLY 80 HA2 GLY 80 -13.008 -5.509 -3.115
596 HA3 GLY 80 HA3 GLY 80 -12.328 -7.140 -3.203
597 H ASP 81 H ASP 81 -14.491 -5.203 -1.577
598 HA ASP 81 HA ASP 81 -15.810 -5.389 0.236
599 HB2 ASP 81 HB2 ASP 81 -15.932 -7.809 -0.061
600 HB3 ASP 81 HB3 ASP 81 -14.393 -8.031 0.759
601 H GLU 82 H GLU 82 -12.430 -6.297 1.091
602 HA GLU 82 HA GLU 82 -12.524 -4.349 3.333
603 HB2 GLU 82 HB2 GLU 82 -10.752 -6.812 3.052
604 HB3 GLU 82 HB3 GLU 82 -10.666 -5.651 4.376
605 HG2 GLU 82 HG2 GLU 82 -13.092 -6.226 4.887
606 HG3 GLU 82 HG3 GLU 82 -12.943 -7.542 3.723
607 H CYS 83 H CYS 83 -10.536 -3.175 3.810
608 HA CYS 83 HA CYS 83 -8.669 -2.690 1.595
609 HB2 CYS 83 HB2 CYS 83 -9.160 -0.216 1.655
610 HB3 CYS 83 HB3 CYS 83 -10.493 -1.184 1.034
611 HG CYS 83 HG CYS 83 -10.758 -0.687 4.312
612 H ALA 84 H ALA 84 -6.702 -1.801 2.217
613 HA ALA 84 HA ALA 84 -6.098 -1.746 5.104
614 HB1 ALA 84 HB1 ALA 84 -4.215 -1.785 2.717
615 HB2 ALA 84 HB2 ALA 84 -4.709 -3.187 3.664
616 HB3 ALA 84 HB3 ALA 84 -3.740 -1.920 4.415
617 H TYR 85 H TYR 85 -5.681 0.111 6.179
618 HA TYR 85 HA TYR 85 -5.520 2.678 4.699
619 HB2 TYR 85 HB2 TYR 85 -6.214 2.142 7.627
620 HB3 TYR 85 HB3 TYR 85 -6.190 3.729 6.863
621 HD1 TYR 85 HD1 TYR 85 -7.905 0.395 6.714
622 HD2 TYR 85 HD2 TYR 85 -8.181 4.564 5.806
623 HE1 TYR 85 HE1 TYR 85 -10.269 0.112 6.129
624 HE2 TYR 85 HE2 TYR 85 -10.555 4.272 5.224
625 HH TYR 85 HH TYR 85 -12.291 1.413 5.975
626 H PHE 86 H PHE 86 -3.565 3.630 4.577
627 HA PHE 86 HA PHE 86 -1.528 3.206 6.707
628 HB2 PHE 86 HB2 PHE 86 -1.151 4.105 3.806
629 HB3 PHE 86 HB3 PHE 86 0.140 3.903 4.985
630 HD1 PHE 86 HD1 PHE 86 -2.272 2.122 2.812
631 HD2 PHE 86 HD2 PHE 86 0.966 1.676 5.574
632 HE1 PHE 86 HE1 PHE 86 -1.995 -0.221 2.120
633 HE2 PHE 86 HE2 PHE 86 1.237 -0.665 4.867
634 HZ PHE 86 HZ PHE 86 -0.241 -1.616 3.142
635 H THR 87 H THR 87 -1.678 4.909 8.136
636 HA THR 87 HA THR 87 -2.646 7.526 7.246
637 HB THR 87 HB THR 87 -1.884 6.671 10.077
638 HG1 THR 87 HG1 THR 87 -4.431 6.652 8.788
639 HG21 THR 87 HG21 THR 87 -3.314 8.571 10.771
640 HG22 THR 87 HG22 THR 87 -3.595 8.987 9.082
641 HG23 THR 87 HG23 THR 87 -1.975 9.130 9.767
642 H VAL 88 H VAL 88 -1.045 8.663 6.222
643 HA VAL 88 HA VAL 88 1.716 8.660 7.206
644 HB VAL 88 HB VAL 88 0.480 9.920 4.710
645 HG11 VAL 88 HG11 VAL 88 2.472 11.203 5.385
646 HG12 VAL 88 HG12 VAL 88 2.794 10.292 3.912
647 HG13 VAL 88 HG13 VAL 88 3.427 9.721 5.459
648 HG21 VAL 88 HG21 VAL 88 0.474 7.453 4.666
649 HG22 VAL 88 HG22 VAL 88 2.203 7.422 5.016
650 HG23 VAL 88 HG23 VAL 88 1.622 8.090 3.488
651 H THR 89 H THR 89 2.139 10.015 8.818
652 HA THR 89 HA THR 89 0.714 12.585 9.139
653 HB THR 89 HB THR 89 2.351 11.015 11.190
654 HG1 THR 89 HG1 THR 89 -0.302 10.857 10.371
655 HG21 THR 89 HG21 THR 89 0.468 13.382 11.571
656 HG22 THR 89 HG22 THR 89 2.226 13.432 11.727
657 HG23 THR 89 HG23 THR 89 1.265 12.482 12.860
658 H ILE 90 H ILE 90 1.817 14.364 8.502
659 HA ILE 90 HA ILE 90 4.798 14.373 8.508
660 HB ILE 90 HB ILE 90 2.983 15.695 6.437
661 HG12 ILE 90 HG12 ILE 90 4.742 13.200 6.154
662 HG13 ILE 90 HG13 ILE 90 2.983 13.200 6.221
663 HG21 ILE 90 HG21 ILE 90 6.025 15.459 6.510
664 HG22 ILE 90 HG22 ILE 90 5.096 16.933 6.787
665 HG23 ILE 90 HG23 ILE 90 5.079 16.169 5.200
666 HD11 ILE 90 HD11 ILE 90 3.761 12.905 3.970
667 HD12 ILE 90 HD12 ILE 90 4.691 14.398 4.054
668 HD13 ILE 90 HD13 ILE 90 2.925 14.452 4.111
Start of MODEL 15
1 H HIS 1 H1 HIS 1 -17.710 -16.476 -7.808
2 HA HIS 1 HA HIS 1 -18.288 -14.790 -5.438
3 HB2 HIS 1 HB2 HIS 1 -19.885 -16.703 -5.814
4 HB3 HIS 1 HB3 HIS 1 -18.527 -17.818 -5.786
5 HD1 HIS 1 HD1 HIS 1 -20.775 -15.830 -3.567
6 HD2 HIS 1 HD2 HIS 1 -17.466 -18.318 -3.180
7 HE1 HIS 1 HE1 HIS 1 -20.647 -16.408 -1.135
8 HE2 HIS 1 HE2 HIS 1 -18.728 -18.017 -0.947
9 H MET 2 H MET 2 -16.147 -13.985 -5.280
10 HA MET 2 HA MET 2 -13.971 -15.970 -4.894
11 HB2 MET 2 HB2 MET 2 -12.375 -14.224 -5.560
12 HB3 MET 2 HB3 MET 2 -13.570 -14.499 -6.815
13 HG2 MET 2 HG2 MET 2 -14.721 -12.436 -6.226
14 HG3 MET 2 HG3 MET 2 -13.624 -12.180 -4.866
15 HE1 MET 2 HE1 MET 2 -12.445 -9.344 -7.275
16 HE2 MET 2 HE2 MET 2 -12.995 -9.745 -5.646
17 HE3 MET 2 HE3 MET 2 -14.107 -9.871 -7.010
18 HA PRO 3 HA PRO 3 -13.587 -14.085 -0.738
19 HB2 PRO 3 HB2 PRO 3 -12.303 -16.113 0.487
20 HB3 PRO 3 HB3 PRO 3 -14.010 -16.250 0.044
21 HG2 PRO 3 HG2 PRO 3 -11.614 -17.486 -1.252
22 HG3 PRO 3 HG3 PRO 3 -13.267 -18.112 -1.112
23 HD2 PRO 3 HD2 PRO 3 -12.122 -16.767 -3.370
24 HD3 PRO 3 HD3 PRO 3 -13.821 -17.239 -3.158
25 H VAL 4 H VAL 4 -12.198 -12.365 -1.485
26 HA VAL 4 HA VAL 4 -9.280 -12.916 -1.422
27 HB VAL 4 HB VAL 4 -9.839 -12.212 -3.642
28 HG11 VAL 4 HG11 VAL 4 -11.237 -9.764 -2.505
29 HG12 VAL 4 HG12 VAL 4 -12.020 -11.155 -3.255
30 HG13 VAL 4 HG13 VAL 4 -10.979 -10.106 -4.219
31 HG21 VAL 4 HG21 VAL 4 -8.441 -10.187 -3.916
32 HG22 VAL 4 HG22 VAL 4 -7.731 -11.290 -2.737
33 HG23 VAL 4 HG23 VAL 4 -8.580 -9.845 -2.188
34 H HIS 5 H HIS 5 -8.729 -12.536 0.622
35 HA HIS 5 HA HIS 5 -9.367 -9.933 1.887
36 HB2 HIS 5 HB2 HIS 5 -8.518 -12.589 3.132
37 HB3 HIS 5 HB3 HIS 5 -8.592 -11.076 4.035
38 HD1 HIS 5 HD1 HIS 5 -10.717 -10.780 5.260
39 HD2 HIS 5 HD2 HIS 5 -11.252 -13.103 1.859
40 HE1 HIS 5 HE1 HIS 5 -13.131 -11.426 5.269
41 HE2 HIS 5 HE2 HIS 5 -13.474 -12.588 3.073
42 H ILE 6 H ILE 6 -7.649 -8.941 3.160
43 HA ILE 6 HA ILE 6 -5.192 -8.805 1.565
44 HB ILE 6 HB ILE 6 -6.355 -6.988 3.721
45 HG12 ILE 6 HG12 ILE 6 -6.138 -6.685 0.685
46 HG13 ILE 6 HG13 ILE 6 -7.619 -6.952 1.597
47 HG21 ILE 6 HG21 ILE 6 -4.600 -5.356 3.124
48 HG22 ILE 6 HG22 ILE 6 -3.857 -6.544 2.051
49 HG23 ILE 6 HG23 ILE 6 -3.909 -6.835 3.790
50 HD11 ILE 6 HD11 ILE 6 -5.893 -4.478 1.657
51 HD12 ILE 6 HD12 ILE 6 -7.341 -4.732 2.637
52 HD13 ILE 6 HD13 ILE 6 -7.464 -4.668 0.880
53 H VAL 7 H VAL 7 -3.553 -10.079 2.157
54 HA VAL 7 HA VAL 7 -3.190 -11.135 4.833
55 HB VAL 7 HB VAL 7 -1.153 -12.270 3.861
56 HG11 VAL 7 HG11 VAL 7 -3.730 -12.679 2.290
57 HG12 VAL 7 HG12 VAL 7 -3.323 -13.422 3.837
58 HG13 VAL 7 HG13 VAL 7 -2.397 -13.835 2.394
59 HG21 VAL 7 HG21 VAL 7 -2.003 -10.991 1.225
60 HG22 VAL 7 HG22 VAL 7 -0.726 -12.193 1.429
61 HG23 VAL 7 HG23 VAL 7 -0.544 -10.589 2.139
62 H ASP 8 H ASP 8 -1.640 -8.667 2.843
63 HA ASP 8 HA ASP 8 -0.020 -7.752 5.151
64 HB2 ASP 8 HB2 ASP 8 1.391 -8.933 3.418
65 HB3 ASP 8 HB3 ASP 8 0.850 -7.768 2.217
66 HA PRO 9 HA PRO 9 0.800 -5.988 5.974
67 HB2 PRO 9 HB2 PRO 9 0.679 -3.576 7.085
68 HB3 PRO 9 HB3 PRO 9 1.331 -3.730 5.444
69 HG2 PRO 9 HG2 PRO 9 -1.397 -2.803 6.325
70 HG3 PRO 9 HG3 PRO 9 -0.347 -2.144 5.054
71 HD2 PRO 9 HD2 PRO 9 -2.473 -3.986 4.680
72 HD3 PRO 9 HD3 PRO 9 -1.224 -3.570 3.485
73 H ARG 10 H ARG 10 -2.288 -6.571 5.977
74 HA ARG 10 HA ARG 10 -4.042 -6.947 7.316
75 HB2 ARG 10 HB2 ARG 10 -1.996 -8.251 8.396
76 HB3 ARG 10 HB3 ARG 10 -2.194 -7.107 9.712
77 HG2 ARG 10 HG2 ARG 10 -4.488 -8.825 8.731
78 HG3 ARG 10 HG3 ARG 10 -3.314 -9.427 9.891
79 HD2 ARG 10 HD2 ARG 10 -5.267 -7.136 10.242
80 HD3 ARG 10 HD3 ARG 10 -5.201 -8.645 11.161
81 HE ARG 10 HE ARG 10 -3.276 -6.401 11.343
82 HH11 ARG 10 HH11 ARG 10 -4.601 -9.249 12.791
83 HH12 ARG 10 HH12 ARG 10 -3.710 -9.029 14.251
84 HH21 ARG 10 HH21 ARG 10 -2.145 -6.181 13.203
85 HH22 ARG 10 HH22 ARG 10 -2.361 -7.317 14.488
86 H GLU 11 H GLU 11 -3.456 -4.253 6.739
87 HA GLU 11 HA GLU 11 -4.387 -2.225 7.070
88 HB2 GLU 11 HB2 GLU 11 -6.018 -3.798 9.093
89 HB3 GLU 11 HB3 GLU 11 -6.314 -2.093 8.806
90 HG2 GLU 11 HG2 GLU 11 -7.919 -3.380 7.568
91 HG3 GLU 11 HG3 GLU 11 -6.831 -2.601 6.427
92 H HIS 12 H HIS 12 -5.021 -0.546 8.965
93 HA HIS 12 HA HIS 12 -4.128 1.085 10.200
94 HB2 HIS 12 HB2 HIS 12 -3.793 0.535 12.592
95 HB3 HIS 12 HB3 HIS 12 -5.242 -0.180 11.918
96 HD1 HIS 12 HD1 HIS 12 -5.194 -2.831 11.547
97 HD2 HIS 12 HD2 HIS 12 -2.026 -1.281 13.746
98 HE1 HIS 12 HE1 HIS 12 -4.180 -4.788 12.736
99 HE2 HIS 12 HE2 HIS 12 -2.175 -3.852 13.926
100 H VAL 13 H VAL 13 -2.393 1.681 8.881
101 HA VAL 13 HA VAL 13 0.323 1.020 9.924
102 HB VAL 13 HB VAL 13 -0.411 1.775 7.056
103 HG11 VAL 13 HG11 VAL 13 1.916 1.175 6.485
104 HG12 VAL 13 HG12 VAL 13 2.261 0.862 8.188
105 HG13 VAL 13 HG13 VAL 13 1.864 2.494 7.655
106 HG21 VAL 13 HG21 VAL 13 -1.253 -0.465 7.608
107 HG22 VAL 13 HG22 VAL 13 0.354 -0.948 8.157
108 HG23 VAL 13 HG23 VAL 13 0.082 -0.555 6.459
109 H PHE 14 H PHE 14 0.751 2.772 11.219
110 HA PHE 14 HA PHE 14 0.331 5.516 10.209
111 HB2 PHE 14 HB2 PHE 14 1.141 4.497 12.973
112 HB3 PHE 14 HB3 PHE 14 0.953 6.198 12.552
113 HD1 PHE 14 HD1 PHE 14 -0.937 2.962 12.752
114 HD2 PHE 14 HD2 PHE 14 -1.200 7.233 12.663
115 HE1 PHE 14 HE1 PHE 14 -3.340 2.831 13.278
116 HE2 PHE 14 HE2 PHE 14 -3.600 7.088 13.197
117 HZ PHE 14 HZ PHE 14 -4.673 4.892 13.502
118 H VAL 15 H VAL 15 1.951 6.330 9.035
119 HA VAL 15 HA VAL 15 4.757 5.499 9.509
120 HB VAL 15 HB VAL 15 3.686 6.836 6.985
121 HG11 VAL 15 HG11 VAL 15 5.719 5.936 5.918
122 HG12 VAL 15 HG12 VAL 15 6.213 5.214 7.450
123 HG13 VAL 15 HG13 VAL 15 6.121 6.967 7.294
124 HG21 VAL 15 HG21 VAL 15 3.561 4.612 5.909
125 HG22 VAL 15 HG22 VAL 15 2.428 4.746 7.253
126 HG23 VAL 15 HG23 VAL 15 3.927 3.840 7.454
127 H HIS 16 H HIS 16 5.747 7.036 10.795
128 HA HIS 16 HA HIS 16 5.235 9.889 10.427
129 HB2 HIS 16 HB2 HIS 16 5.631 9.091 12.717
130 HB3 HIS 16 HB3 HIS 16 7.203 8.446 12.257
131 HD1 HIS 16 HD1 HIS 16 9.058 9.943 12.976
132 HD2 HIS 16 HD2 HIS 16 5.623 12.100 12.070
133 HE1 HIS 16 HE1 HIS 16 9.658 12.345 13.331
134 HE2 HIS 16 HE2 HIS 16 7.519 13.601 12.983
135 H ALA 17 H ALA 17 6.468 11.261 9.267
136 HA ALA 17 HA ALA 17 9.229 10.623 8.516
137 HB1 ALA 17 HB1 ALA 17 7.133 11.300 6.420
138 HB2 ALA 17 HB2 ALA 17 7.891 9.723 6.643
139 HB3 ALA 17 HB3 ALA 17 8.866 11.102 6.130
140 H ILE 18 H ILE 18 10.310 12.510 7.479
141 HA ILE 18 HA ILE 18 9.333 15.134 8.457
142 HB ILE 18 HB ILE 18 12.094 14.375 7.348
143 HG12 ILE 18 HG12 ILE 18 11.234 14.716 10.266
144 HG13 ILE 18 HG13 ILE 18 11.561 13.178 9.481
145 HG21 ILE 18 HG21 ILE 18 11.653 16.799 7.121
146 HG22 ILE 18 HG22 ILE 18 12.907 16.505 8.322
147 HG23 ILE 18 HG23 ILE 18 11.268 16.906 8.839
148 HD11 ILE 18 HD11 ILE 18 13.909 13.813 9.212
149 HD12 ILE 18 HD12 ILE 18 13.401 13.863 10.899
150 HD13 ILE 18 HD13 ILE 18 13.579 15.363 9.992
151 H THR 19 H THR 19 9.634 17.025 6.857
152 HA THR 19 HA THR 19 8.420 16.768 4.388
153 HB THR 19 HB THR 19 9.490 18.979 3.783
154 HG1 THR 19 HG1 THR 19 11.516 18.589 4.872
155 HG21 THR 19 HG21 THR 19 8.506 20.305 5.617
156 HG22 THR 19 HG22 THR 19 8.406 18.860 6.622
157 HG23 THR 19 HG23 THR 19 7.432 18.981 5.155
158 H SER 20 H SER 20 8.980 15.899 2.507
159 HA SER 20 HA SER 20 10.060 15.069 0.721
160 HB2 SER 20 HB2 SER 20 11.200 17.269 0.628
161 HB3 SER 20 HB3 SER 20 12.482 16.657 1.669
162 HG SER 20 HG SER 20 13.156 15.313 0.050
163 H GLU 21 H GLU 21 10.287 13.725 3.475
164 HA GLU 21 HA GLU 21 12.701 12.053 3.175
165 HB2 GLU 21 HB2 GLU 21 11.712 13.073 5.409
166 HB3 GLU 21 HB3 GLU 21 10.597 11.724 5.351
167 HG2 GLU 21 HG2 GLU 21 13.605 11.353 5.352
168 HG3 GLU 21 HG3 GLU 21 12.678 11.507 6.837
169 H CYS 22 H CYS 22 12.529 9.676 3.070
170 HA CYS 22 HA CYS 22 10.689 8.806 1.053
171 HB2 CYS 22 HB2 CYS 22 12.693 7.179 2.670
172 HB3 CYS 22 HB3 CYS 22 11.870 6.624 1.213
173 HG CYS 22 HG CYS 22 13.141 9.257 0.114
174 H VAL 23 H VAL 23 8.783 7.782 1.233
175 HA VAL 23 HA VAL 23 8.058 6.247 3.672
176 HB VAL 23 HB VAL 23 6.245 8.068 2.015
177 HG11 VAL 23 HG11 VAL 23 4.981 6.033 2.522
178 HG12 VAL 23 HG12 VAL 23 4.365 7.372 3.489
179 HG13 VAL 23 HG13 VAL 23 5.410 6.157 4.229
180 HG21 VAL 23 HG21 VAL 23 5.864 9.275 4.140
181 HG22 VAL 23 HG22 VAL 23 7.575 9.265 3.710
182 HG23 VAL 23 HG23 VAL 23 6.977 8.181 4.968
183 H MET 24 H MET 24 8.010 4.102 3.071
184 HA MET 24 HA MET 24 6.963 3.388 0.381
185 HB2 MET 24 HB2 MET 24 9.274 2.570 0.860
186 HB3 MET 24 HB3 MET 24 8.666 1.676 2.249
187 HG2 MET 24 HG2 MET 24 7.292 0.281 0.768
188 HG3 MET 24 HG3 MET 24 7.846 1.203 -0.632
189 HE1 MET 24 HE1 MET 24 9.659 -2.233 -1.174
190 HE2 MET 24 HE2 MET 24 8.640 -0.997 -1.911
191 HE3 MET 24 HE3 MET 24 8.024 -1.966 -0.570
192 H LEU 25 H LEU 25 4.782 3.281 0.685
193 HA LEU 25 HA LEU 25 3.495 1.842 2.849
194 HB2 LEU 25 HB2 LEU 25 2.355 2.830 0.207
195 HB3 LEU 25 HB3 LEU 25 1.419 2.321 1.607
196 HG LEU 25 HG LEU 25 3.245 4.758 1.514
197 HD11 LEU 25 HD11 LEU 25 0.221 4.609 1.446
198 HD12 LEU 25 HD12 LEU 25 1.276 5.078 0.111
199 HD13 LEU 25 HD13 LEU 25 1.182 6.088 1.552
200 HD21 LEU 25 HD21 LEU 25 3.123 3.818 3.779
201 HD22 LEU 25 HD22 LEU 25 1.358 3.832 3.712
202 HD23 LEU 25 HD23 LEU 25 2.258 5.350 3.692
203 H ALA 26 H ALA 26 2.180 -0.119 2.504
204 HA ALA 26 HA ALA 26 2.875 -1.843 0.230
205 HB1 ALA 26 HB1 ALA 26 3.740 -3.635 1.685
206 HB2 ALA 26 HB2 ALA 26 3.566 -2.588 3.096
207 HB3 ALA 26 HB3 ALA 26 4.723 -2.176 1.831
208 H CYS 27 H CYS 27 1.123 -3.033 -0.345
209 HA CYS 27 HA CYS 27 -0.605 -4.253 1.659
210 HB2 CYS 27 HB2 CYS 27 -1.734 -2.089 1.262
211 HB3 CYS 27 HB3 CYS 27 -1.790 -2.420 -0.470
212 HG CYS 27 HG CYS 27 -3.200 -4.667 1.622
213 H GLU 28 H GLU 28 -0.515 -6.334 1.058
214 HA GLU 28 HA GLU 28 -0.894 -7.117 -1.775
215 HB2 GLU 28 HB2 GLU 28 0.647 -8.634 0.378
216 HB3 GLU 28 HB3 GLU 28 0.510 -9.081 -1.325
217 HG2 GLU 28 HG2 GLU 28 1.759 -7.075 -1.972
218 HG3 GLU 28 HG3 GLU 28 1.838 -6.565 -0.290
219 H VAL 29 H VAL 29 -2.086 -9.012 -2.152
220 HA VAL 29 HA VAL 29 -4.166 -9.599 -0.125
221 HB VAL 29 HB VAL 29 -5.578 -10.227 -2.185
222 HG11 VAL 29 HG11 VAL 29 -6.195 -7.891 -2.676
223 HG12 VAL 29 HG12 VAL 29 -4.712 -7.325 -1.906
224 HG13 VAL 29 HG13 VAL 29 -5.949 -8.139 -0.947
225 HG21 VAL 29 HG21 VAL 29 -4.893 -9.255 -4.368
226 HG22 VAL 29 HG22 VAL 29 -3.739 -10.471 -3.823
227 HG23 VAL 29 HG23 VAL 29 -3.347 -8.756 -3.668
228 H ASP 30 H ASP 30 -5.233 -11.699 -0.352
229 HA ASP 30 HA ASP 30 -3.370 -13.892 -0.349
230 HB2 ASP 30 HB2 ASP 30 -5.187 -13.697 1.318
231 HB3 ASP 30 HB3 ASP 30 -6.390 -13.816 0.041
232 H ARG 31 H ARG 31 -5.710 -12.601 -2.604
233 HA ARG 31 HA ARG 31 -5.314 -14.885 -4.466
234 HB2 ARG 31 HB2 ARG 31 -7.679 -14.556 -3.723
235 HB3 ARG 31 HB3 ARG 31 -7.642 -12.916 -4.354
236 HG2 ARG 31 HG2 ARG 31 -8.822 -14.397 -5.891
237 HG3 ARG 31 HG3 ARG 31 -7.344 -13.792 -6.643
238 HD2 ARG 31 HD2 ARG 31 -7.700 -16.181 -7.131
239 HD3 ARG 31 HD3 ARG 31 -6.219 -15.935 -6.203
240 HE ARG 31 HE ARG 31 -7.989 -16.495 -4.259
241 HH11 ARG 31 HH11 ARG 31 -7.423 -18.154 -7.250
242 HH12 ARG 31 HH12 ARG 31 -7.775 -19.697 -6.557
243 HH21 ARG 31 HH21 ARG 31 -8.407 -18.502 -3.419
244 HH22 ARG 31 HH22 ARG 31 -8.316 -19.893 -4.443
245 H GLU 32 H GLU 32 -3.752 -14.336 -5.855
246 HA GLU 32 HA GLU 32 -2.837 -11.762 -6.532
247 HB2 GLU 32 HB2 GLU 32 -1.401 -12.821 -8.168
248 HB3 GLU 32 HB3 GLU 32 -1.480 -13.853 -6.754
249 HG2 GLU 32 HG2 GLU 32 -2.960 -14.323 -9.366
250 HG3 GLU 32 HG3 GLU 32 -1.483 -15.135 -8.857
251 H ASP 33 H ASP 33 -5.326 -13.723 -7.987
252 HA ASP 33 HA ASP 33 -5.613 -12.396 -10.474
253 HB2 ASP 33 HB2 ASP 33 -6.443 -14.697 -9.944
254 HB3 ASP 33 HB3 ASP 33 -7.665 -13.999 -8.888
255 H ALA 34 H ALA 34 -6.606 -11.459 -7.274
256 HA ALA 34 HA ALA 34 -8.126 -9.152 -8.374
257 HB1 ALA 34 HB1 ALA 34 -8.768 -10.640 -5.806
258 HB2 ALA 34 HB2 ALA 34 -9.689 -10.732 -7.307
259 HB3 ALA 34 HB3 ALA 34 -9.606 -9.211 -6.417
260 HA PRO 35 HA PRO 35 -4.573 -7.453 -5.852
261 HB2 PRO 35 HB2 PRO 35 -4.110 -5.557 -8.045
262 HB3 PRO 35 HB3 PRO 35 -3.048 -6.837 -7.456
263 HG2 PRO 35 HG2 PRO 35 -4.254 -6.926 -9.909
264 HG3 PRO 35 HG3 PRO 35 -3.845 -8.386 -8.982
265 HD2 PRO 35 HD2 PRO 35 -6.513 -6.971 -9.205
266 HD3 PRO 35 HD3 PRO 35 -6.147 -8.711 -9.322
267 H VAL 36 H VAL 36 -4.059 -4.951 -5.383
268 HA VAL 36 HA VAL 36 -6.651 -3.842 -4.533
269 HB VAL 36 HB VAL 36 -5.632 -2.805 -2.714
270 HG11 VAL 36 HG11 VAL 36 -5.447 -5.227 -2.444
271 HG12 VAL 36 HG12 VAL 36 -4.089 -4.425 -1.651
272 HG13 VAL 36 HG13 VAL 36 -3.857 -5.216 -3.214
273 HG21 VAL 36 HG21 VAL 36 -2.962 -2.837 -4.158
274 HG22 VAL 36 HG22 VAL 36 -3.181 -2.299 -2.494
275 HG23 VAL 36 HG23 VAL 36 -3.962 -1.428 -3.815
276 H ARG 37 H ARG 37 -7.037 -1.586 -4.537
277 HA ARG 37 HA ARG 37 -5.807 0.001 -6.726
278 HB2 ARG 37 HB2 ARG 37 -8.661 -0.029 -5.628
279 HB3 ARG 37 HB3 ARG 37 -8.074 1.168 -6.782
280 HG2 ARG 37 HG2 ARG 37 -7.879 -0.419 -8.522
281 HG3 ARG 37 HG3 ARG 37 -7.931 -1.785 -7.409
282 HD2 ARG 37 HD2 ARG 37 -10.309 0.056 -7.777
283 HD3 ARG 37 HD3 ARG 37 -10.032 -1.333 -8.832
284 HE ARG 37 HE ARG 37 -9.885 -2.363 -6.303
285 HH11 ARG 37 HH11 ARG 37 -12.348 -0.526 -7.915
286 HH12 ARG 37 HH12 ARG 37 -13.627 -1.396 -7.146
287 HH21 ARG 37 HH21 ARG 37 -11.532 -3.440 -5.360
288 HH22 ARG 37 HH22 ARG 37 -13.168 -3.010 -5.706
289 H TRP 38 H TRP 38 -4.768 1.830 -6.034
290 HA TRP 38 HA TRP 38 -4.781 2.507 -3.185
291 HB2 TRP 38 HB2 TRP 38 -3.015 3.386 -5.503
292 HB3 TRP 38 HB3 TRP 38 -2.872 4.075 -3.889
293 HD1 TRP 38 HD1 TRP 38 -2.177 0.825 -5.827
294 HE1 TRP 38 HE1 TRP 38 -0.601 -0.633 -4.415
295 HE3 TRP 38 HE3 TRP 38 -2.191 3.557 -1.494
296 HZ2 TRP 38 HZ2 TRP 38 0.474 -0.647 -1.806
297 HZ3 TRP 38 HZ3 TRP 38 -0.876 2.742 0.418
298 HH2 TRP 38 HH2 TRP 38 0.435 0.677 0.265
299 H TYR 39 H TYR 39 -5.534 4.362 -2.293
300 HA TYR 39 HA TYR 39 -6.599 6.575 -3.941
301 HB2 TYR 39 HB2 TYR 39 -8.135 5.179 -1.695
302 HB3 TYR 39 HB3 TYR 39 -8.651 6.666 -2.487
303 HD1 TYR 39 HD2 TYR 39 -9.317 6.607 -4.920
304 HD2 TYR 39 HD1 TYR 39 -8.555 3.022 -2.728
305 HE1 TYR 39 HE2 TYR 39 -10.432 5.299 -6.672
306 HE2 TYR 39 HE1 TYR 39 -9.666 1.716 -4.490
307 HH TYR 39 HH TYR 39 -10.319 2.930 -7.535
308 H LYS 40 H LYS 40 -6.009 8.538 -3.140
309 HA LYS 40 HA LYS 40 -4.939 8.754 -0.379
310 HB2 LYS 40 HB2 LYS 40 -3.223 9.182 -2.032
311 HB3 LYS 40 HB3 LYS 40 -4.267 10.292 -2.913
312 HG2 LYS 40 HG2 LYS 40 -4.146 11.915 -1.094
313 HG3 LYS 40 HG3 LYS 40 -3.195 10.794 -0.115
314 HD2 LYS 40 HD2 LYS 40 -1.312 10.948 -1.619
315 HD3 LYS 40 HD3 LYS 40 -2.261 11.811 -2.829
316 HE2 LYS 40 HE2 LYS 40 -0.699 13.295 -1.603
317 HE3 LYS 40 HE3 LYS 40 -2.382 13.775 -1.379
318 HZ1 LYS 40 HZ1 LYS 40 -1.145 13.857 0.684
319 HZ2 LYS 40 HZ2 LYS 40 -0.752 12.214 0.555
320 HZ3 LYS 40 HZ3 LYS 40 -2.361 12.687 0.779
321 H ASP 41 H ASP 41 -6.675 9.369 0.795
322 HA ASP 41 HA ASP 41 -8.198 10.678 1.818
323 HB2 ASP 41 HB2 ASP 41 -6.054 12.094 1.750
324 HB3 ASP 41 HB3 ASP 41 -6.795 13.010 0.445
325 H GLY 42 H GLY 42 -8.935 9.756 -0.935
326 HA2 GLY 42 HA2 GLY 42 -11.367 10.106 -1.523
327 HA3 GLY 42 HA3 GLY 42 -10.959 11.805 -1.713
328 H GLN 43 H GLN 43 -8.420 11.390 -3.007
329 HA GLN 43 HA GLN 43 -9.329 10.981 -5.749
330 HB2 GLN 43 HB2 GLN 43 -6.510 11.641 -4.765
331 HB3 GLN 43 HB3 GLN 43 -7.075 11.730 -6.425
332 HG2 GLN 43 HG2 GLN 43 -7.044 13.961 -5.767
333 HG3 GLN 43 HG3 GLN 43 -8.738 13.528 -5.552
334 HE21 GLN 43 HE21 GLN 43 -9.555 13.371 -3.412
335 HE22 GLN 43 HE22 GLN 43 -8.704 14.019 -2.063
336 H GLU 44 H GLU 44 -8.201 9.507 -7.273
337 HA GLU 44 HA GLU 44 -7.246 7.019 -6.022
338 HB2 GLU 44 HB2 GLU 44 -9.008 6.947 -7.810
339 HB3 GLU 44 HB3 GLU 44 -7.840 7.585 -8.962
340 HG2 GLU 44 HG2 GLU 44 -6.468 5.578 -8.746
341 HG3 GLU 44 HG3 GLU 44 -7.509 4.963 -7.463
342 H VAL 45 H VAL 45 -5.134 6.456 -5.980
343 HA VAL 45 HA VAL 45 -3.131 8.366 -6.824
344 HB VAL 45 HB VAL 45 -2.733 5.639 -5.518
345 HG11 VAL 45 HG11 VAL 45 -0.685 6.418 -6.614
346 HG12 VAL 45 HG12 VAL 45 -0.501 6.484 -4.863
347 HG13 VAL 45 HG13 VAL 45 -0.795 7.967 -5.773
348 HG21 VAL 45 HG21 VAL 45 -4.092 7.071 -4.065
349 HG22 VAL 45 HG22 VAL 45 -2.911 8.375 -4.199
350 HG23 VAL 45 HG23 VAL 45 -2.477 6.872 -3.383
351 H GLU 46 H GLU 46 -2.302 8.382 -8.827
352 HA GLU 46 HA GLU 46 -1.696 5.827 -10.227
353 HB2 GLU 46 HB2 GLU 46 -1.852 7.081 -12.350
354 HB3 GLU 46 HB3 GLU 46 -3.359 7.167 -11.443
355 HG2 GLU 46 HG2 GLU 46 -2.749 9.443 -10.659
356 HG3 GLU 46 HG3 GLU 46 -1.265 9.360 -11.611
357 H GLU 47 H GLU 47 0.240 6.016 -11.714
358 HA GLU 47 HA GLU 47 2.518 6.997 -10.214
359 HB2 GLU 47 HB2 GLU 47 2.444 5.595 -12.919
360 HB3 GLU 47 HB3 GLU 47 3.875 5.851 -11.919
361 HG2 GLU 47 HG2 GLU 47 2.885 4.429 -10.152
362 HG3 GLU 47 HG3 GLU 47 1.470 4.164 -11.167
363 H SER 48 H SER 48 2.705 9.170 -10.295
364 HA SER 48 HA SER 48 3.367 10.521 -12.792
365 HB2 SER 48 HB2 SER 48 0.962 11.435 -11.131
366 HB3 SER 48 HB3 SER 48 1.686 12.360 -12.441
367 HG SER 48 HG SER 48 1.250 10.321 -13.706
368 H ASP 49 H ASP 49 4.360 12.588 -12.465
369 HA ASP 49 HA ASP 49 5.668 14.162 -11.531
370 HB2 ASP 49 HB2 ASP 49 4.120 13.606 -8.962
371 HB3 ASP 49 HB3 ASP 49 5.167 14.999 -9.237
372 H PHE 50 H PHE 50 5.426 12.080 -8.656
373 HA PHE 50 HA PHE 50 8.120 10.994 -9.003
374 HB2 PHE 50 HB2 PHE 50 8.733 11.662 -6.594
375 HB3 PHE 50 HB3 PHE 50 8.732 12.961 -7.778
376 HD1 PHE 50 HD1 PHE 50 7.038 14.747 -7.697
377 HD2 PHE 50 HD2 PHE 50 7.035 11.610 -4.788
378 HE1 PHE 50 HE1 PHE 50 5.506 16.053 -6.286
379 HE2 PHE 50 HE2 PHE 50 5.505 12.933 -3.386
380 HZ PHE 50 HZ PHE 50 4.740 15.147 -4.131
381 H VAL 51 H VAL 51 4.924 10.652 -8.063
382 HA VAL 51 HA VAL 51 5.149 8.568 -6.083
383 HB VAL 51 HB VAL 51 2.724 9.224 -7.827
384 HG11 VAL 51 HG11 VAL 51 1.404 8.252 -5.969
385 HG12 VAL 51 HG12 VAL 51 2.894 7.888 -5.098
386 HG13 VAL 51 HG13 VAL 51 2.551 7.080 -6.627
387 HG21 VAL 51 HG21 VAL 51 3.468 10.486 -5.157
388 HG22 VAL 51 HG22 VAL 51 1.955 10.743 -6.025
389 HG23 VAL 51 HG23 VAL 51 3.476 11.295 -6.725
390 H VAL 52 H VAL 52 5.546 6.404 -6.506
391 HA VAL 52 HA VAL 52 4.885 5.300 -9.190
392 HB VAL 52 HB VAL 52 6.868 3.822 -9.101
393 HG11 VAL 52 HG11 VAL 52 7.066 5.956 -10.291
394 HG12 VAL 52 HG12 VAL 52 8.607 5.519 -9.557
395 HG13 VAL 52 HG13 VAL 52 7.598 6.758 -8.811
396 HG21 VAL 52 HG21 VAL 52 8.688 4.174 -7.450
397 HG22 VAL 52 HG22 VAL 52 7.204 3.634 -6.667
398 HG23 VAL 52 HG23 VAL 52 7.676 5.331 -6.580
399 H LEU 53 H LEU 53 4.231 3.129 -9.270
400 HA LEU 53 HA LEU 53 3.314 1.919 -6.715
401 HB2 LEU 53 HB2 LEU 53 1.920 1.906 -9.429
402 HB3 LEU 53 HB3 LEU 53 1.360 1.036 -8.009
403 HG LEU 53 HG LEU 53 1.551 4.070 -8.214
404 HD11 LEU 53 HD11 LEU 53 -0.900 4.078 -8.340
405 HD12 LEU 53 HD12 LEU 53 -0.916 2.312 -8.377
406 HD13 LEU 53 HD13 LEU 53 -0.192 3.218 -9.707
407 HD21 LEU 53 HD21 LEU 53 0.338 2.336 -6.035
408 HD22 LEU 53 HD22 LEU 53 0.273 4.099 -6.111
409 HD23 LEU 53 HD23 LEU 53 1.822 3.285 -5.910
410 H GLU 54 H GLU 54 4.390 0.059 -6.357
411 HA GLU 54 HA GLU 54 5.705 -1.395 -8.556
412 HB2 GLU 54 HB2 GLU 54 5.956 -1.844 -5.548
413 HB3 GLU 54 HB3 GLU 54 7.036 -2.449 -6.800
414 HG2 GLU 54 HG2 GLU 54 6.667 0.466 -6.029
415 HG3 GLU 54 HG3 GLU 54 8.002 -0.564 -5.524
416 H ASN 55 H ASN 55 4.880 -3.315 -9.302
417 HA ASN 55 HA ASN 55 2.889 -4.776 -7.692
418 HB2 ASN 55 HB2 ASN 55 1.359 -5.021 -9.582
419 HB3 ASN 55 HB3 ASN 55 1.608 -3.324 -9.225
420 HD21 ASN 55 HD21 ASN 55 3.999 -2.829 -10.616
421 HD22 ASN 55 HD22 ASN 55 3.711 -3.046 -12.297
422 H GLU 56 H GLU 56 2.686 -6.954 -8.079
423 HA GLU 56 HA GLU 56 3.971 -8.441 -10.145
424 HB2 GLU 56 HB2 GLU 56 6.026 -7.860 -8.890
425 HB3 GLU 56 HB3 GLU 56 5.313 -8.459 -7.399
426 HG2 GLU 56 HG2 GLU 56 5.308 -10.762 -8.355
427 HG3 GLU 56 HG3 GLU 56 6.077 -10.135 -9.816
428 H GLY 57 H GLY 57 1.922 -9.425 -10.264
429 HA2 GLY 57 HA2 GLY 57 0.236 -10.906 -9.796
430 HA3 GLY 57 HA3 GLY 57 1.293 -11.633 -8.603
431 HA PRO 58 HA PRO 58 -1.675 -9.722 -5.670
432 HB2 PRO 58 HB2 PRO 58 -0.799 -10.814 -3.370
433 HB3 PRO 58 HB3 PRO 58 -1.599 -11.806 -4.599
434 HG2 PRO 58 HG2 PRO 58 1.350 -11.487 -4.047
435 HG3 PRO 58 HG3 PRO 58 0.425 -12.977 -4.328
436 HD2 PRO 58 HD2 PRO 58 1.892 -11.696 -6.291
437 HD3 PRO 58 HD3 PRO 58 0.476 -12.716 -6.635
438 H HIS 59 H HIS 59 1.726 -9.167 -5.877
439 HA HIS 59 HA HIS 59 2.147 -7.499 -3.587
440 HB2 HIS 59 HB2 HIS 59 3.740 -7.715 -6.177
441 HB3 HIS 59 HB3 HIS 59 4.264 -6.814 -4.760
442 HD1 HIS 59 HD1 HIS 59 6.272 -8.142 -4.137
443 HD2 HIS 59 HD2 HIS 59 2.929 -10.544 -4.632
444 HE1 HIS 59 HE1 HIS 59 6.963 -10.416 -3.364
445 HE2 HIS 59 HE2 HIS 59 4.984 -11.888 -3.837
446 H ARG 60 H ARG 60 1.342 -5.490 -3.311
447 HA ARG 60 HA ARG 60 1.397 -3.522 -5.514
448 HB2 ARG 60 HB2 ARG 60 -0.996 -4.065 -3.704
449 HB3 ARG 60 HB3 ARG 60 -0.824 -2.591 -4.642
450 HG2 ARG 60 HG2 ARG 60 -0.972 -5.373 -5.841
451 HG3 ARG 60 HG3 ARG 60 -2.352 -4.284 -5.660
452 HD2 ARG 60 HD2 ARG 60 -1.128 -2.607 -7.078
453 HD3 ARG 60 HD3 ARG 60 0.134 -3.815 -7.342
454 HE ARG 60 HE ARG 60 -1.737 -5.223 -8.309
455 HH11 ARG 60 HH11 ARG 60 -1.851 -1.766 -8.476
456 HH12 ARG 60 HH12 ARG 60 -2.790 -1.773 -9.926
457 HH21 ARG 60 HH21 ARG 60 -2.952 -5.179 -10.163
458 HH22 ARG 60 HH22 ARG 60 -3.409 -3.665 -10.855
459 H ARG 61 H ARG 61 3.215 -2.558 -4.539
460 HA ARG 61 HA ARG 61 2.849 -1.377 -1.843
461 HB2 ARG 61 HB2 ARG 61 5.451 -2.426 -3.047
462 HB3 ARG 61 HB3 ARG 61 5.284 -1.656 -1.470
463 HG2 ARG 61 HG2 ARG 61 3.693 -3.541 -0.831
464 HG3 ARG 61 HG3 ARG 61 4.147 -4.339 -2.334
465 HD2 ARG 61 HD2 ARG 61 6.480 -4.466 -1.581
466 HD3 ARG 61 HD3 ARG 61 6.066 -3.599 -0.094
467 HE ARG 61 HE ARG 61 4.943 -6.254 -0.794
468 HH11 ARG 61 HH11 ARG 61 6.348 -4.173 1.583
469 HH12 ARG 61 HH12 ARG 61 6.101 -5.316 2.852
470 HH21 ARG 61 HH21 ARG 61 4.674 -7.688 0.884
471 HH22 ARG 61 HH22 ARG 61 5.203 -7.246 2.466
472 H LEU 62 H LEU 62 2.693 0.760 -1.926
473 HA LEU 62 HA LEU 62 3.541 2.353 -4.199
474 HB2 LEU 62 HB2 LEU 62 1.398 2.651 -2.822
475 HB3 LEU 62 HB3 LEU 62 2.390 3.302 -1.536
476 HG LEU 62 HG LEU 62 2.145 4.571 -4.305
477 HD11 LEU 62 HD11 LEU 62 0.657 5.323 -1.766
478 HD12 LEU 62 HD12 LEU 62 -0.042 4.575 -3.203
479 HD13 LEU 62 HD13 LEU 62 0.611 6.208 -3.297
480 HD21 LEU 62 HD21 LEU 62 4.190 5.279 -3.157
481 HD22 LEU 62 HD22 LEU 62 3.263 5.733 -1.726
482 HD23 LEU 62 HD23 LEU 62 3.043 6.613 -3.243
483 H VAL 63 H VAL 63 5.648 2.993 -4.376
484 HA VAL 63 HA VAL 63 7.193 3.629 -1.928
485 HB VAL 63 HB VAL 63 8.218 3.277 -4.784
486 HG11 VAL 63 HG11 VAL 63 10.492 3.295 -3.783
487 HG12 VAL 63 HG12 VAL 63 9.794 3.656 -2.203
488 HG13 VAL 63 HG13 VAL 63 9.653 4.823 -3.518
489 HG21 VAL 63 HG21 VAL 63 8.459 1.381 -2.409
490 HG22 VAL 63 HG22 VAL 63 9.175 1.137 -4.004
491 HG23 VAL 63 HG23 VAL 63 7.423 1.143 -3.818
492 H LEU 64 H LEU 64 7.542 5.673 -1.382
493 HA LEU 64 HA LEU 64 7.114 7.870 -3.329
494 HB2 LEU 64 HB2 LEU 64 5.444 7.397 -1.247
495 HB3 LEU 64 HB3 LEU 64 6.644 8.334 -0.385
496 HG LEU 64 HG LEU 64 4.829 9.795 -1.046
497 HD11 LEU 64 HD11 LEU 64 7.071 10.784 -1.140
498 HD12 LEU 64 HD12 LEU 64 5.959 11.534 -2.279
499 HD13 LEU 64 HD13 LEU 64 7.174 10.392 -2.859
500 HD21 LEU 64 HD21 LEU 64 5.281 8.898 -3.907
501 HD22 LEU 64 HD22 LEU 64 4.148 10.143 -3.374
502 HD23 LEU 64 HD23 LEU 64 3.909 8.470 -2.880
503 HA PRO 65 HA PRO 65 11.529 8.325 -2.153
504 HB2 PRO 65 HB2 PRO 65 12.192 10.193 -4.069
505 HB3 PRO 65 HB3 PRO 65 12.065 8.461 -4.396
506 HG2 PRO 65 HG2 PRO 65 10.033 10.634 -4.889
507 HG3 PRO 65 HG3 PRO 65 10.534 9.307 -5.962
508 HD2 PRO 65 HD2 PRO 65 8.247 9.183 -4.503
509 HD3 PRO 65 HD3 PRO 65 9.225 7.730 -4.830
510 H ALA 66 H ALA 66 9.777 11.370 -3.019
511 HA ALA 66 HA ALA 66 10.951 12.686 -0.627
512 HB1 ALA 66 HB1 ALA 66 10.957 14.787 -1.899
513 HB2 ALA 66 HB2 ALA 66 10.284 13.957 -3.306
514 HB3 ALA 66 HB3 ALA 66 11.901 13.552 -2.732
515 H THR 67 H THR 67 9.168 12.171 0.703
516 HA THR 67 HA THR 67 6.445 12.808 -0.096
517 HB THR 67 HB THR 67 7.367 11.921 2.673
518 HG1 THR 67 HG1 THR 67 7.861 10.109 1.720
519 HG21 THR 67 HG21 THR 67 4.680 11.598 1.265
520 HG22 THR 67 HG22 THR 67 5.018 12.739 2.569
521 HG23 THR 67 HG23 THR 67 5.084 11.005 2.879
522 H GLN 68 H GLN 68 6.201 14.979 -0.306
523 HA GLN 68 HA GLN 68 7.035 16.975 1.579
524 HB2 GLN 68 HB2 GLN 68 4.951 17.064 -0.653
525 HB3 GLN 68 HB3 GLN 68 5.560 18.476 0.201
526 HG2 GLN 68 HG2 GLN 68 7.803 18.103 -0.703
527 HG3 GLN 68 HG3 GLN 68 7.269 16.613 -1.478
528 HE21 GLN 68 HE21 GLN 68 7.052 20.112 -1.552
529 HE22 GLN 68 HE22 GLN 68 6.443 20.233 -3.161
530 HA PRO 69 HA PRO 69 3.660 16.946 4.607
531 HB2 PRO 69 HB2 PRO 69 2.787 19.595 4.703
532 HB3 PRO 69 HB3 PRO 69 4.221 18.978 5.531
533 HG2 PRO 69 HG2 PRO 69 4.027 20.399 2.880
534 HG3 PRO 69 HG3 PRO 69 5.190 20.647 4.202
535 HD2 PRO 69 HD2 PRO 69 5.865 19.245 2.015
536 HD3 PRO 69 HD3 PRO 69 6.438 18.741 3.621
537 H SER 70 H SER 70 2.912 18.141 1.374
538 HA SER 70 HA SER 70 0.022 17.813 1.702
539 HB2 SER 70 HB2 SER 70 1.688 18.388 -0.776
540 HB3 SER 70 HB3 SER 70 -0.075 18.377 -0.731
541 HG SER 70 HG SER 70 0.365 20.448 -0.373
542 H ASP 71 H ASP 71 2.632 15.717 1.029
543 HA ASP 71 HA ASP 71 1.000 13.768 -0.463
544 HB2 ASP 71 HB2 ASP 71 3.995 13.878 0.067
545 HB3 ASP 71 HB3 ASP 71 3.195 12.569 -0.809
546 H GLY 72 H GLY 72 1.518 14.389 2.718
547 HA2 GLY 72 HA2 GLY 72 1.598 11.683 3.753
548 HA3 GLY 72 HA3 GLY 72 1.247 13.150 4.649
549 H GLY 73 H GLY 73 -0.638 12.604 5.724
550 HA2 GLY 73 HA2 GLY 73 -2.945 12.650 5.911
551 HA3 GLY 73 HA3 GLY 73 -3.067 12.703 4.161
552 H GLU 74 H GLU 74 -4.893 11.244 4.445
553 HA GLU 74 HA GLU 74 -4.387 8.517 5.401
554 HB2 GLU 74 HB2 GLU 74 -6.947 9.881 4.476
555 HB3 GLU 74 HB3 GLU 74 -6.859 8.232 5.098
556 HG2 GLU 74 HG2 GLU 74 -6.054 9.083 7.266
557 HG3 GLU 74 HG3 GLU 74 -6.118 10.733 6.647
558 H PHE 75 H PHE 75 -3.939 6.866 4.079
559 HA PHE 75 HA PHE 75 -4.732 6.924 1.224
560 HB2 PHE 75 HB2 PHE 75 -2.486 5.377 2.581
561 HB3 PHE 75 HB3 PHE 75 -2.960 5.145 0.903
562 HD1 PHE 75 HD2 PHE 75 -1.503 7.607 3.303
563 HD2 PHE 75 HD1 PHE 75 -2.186 6.633 -0.808
564 HE1 PHE 75 HE2 PHE 75 0.035 9.399 2.615
565 HE2 PHE 75 HE1 PHE 75 -0.643 8.428 -1.483
566 HZ PHE 75 HZ PHE 75 0.469 9.812 0.225
567 H GLN 76 H GLN 76 -5.277 4.776 0.312
568 HA GLN 76 HA GLN 76 -6.567 2.843 2.098
569 HB2 GLN 76 HB2 GLN 76 -8.257 4.623 1.757
570 HB3 GLN 76 HB3 GLN 76 -8.094 4.466 0.013
571 HG2 GLN 76 HG2 GLN 76 -8.976 2.152 0.159
572 HG3 GLN 76 HG3 GLN 76 -9.166 2.348 1.901
573 HE21 GLN 76 HE21 GLN 76 -9.900 4.842 -0.514
574 HE22 GLN 76 HE22 GLN 76 -11.603 4.845 -0.243
575 H CYS 77 H CYS 77 -6.833 0.796 1.135
576 HA CYS 77 HA CYS 77 -5.982 0.437 -1.686
577 HB2 CYS 77 HB2 CYS 77 -5.096 -1.178 0.728
578 HB3 CYS 77 HB3 CYS 77 -4.811 -1.667 -0.941
579 HG CYS 77 HG CYS 77 -2.845 -0.093 -1.461
580 H VAL 78 H VAL 78 -7.983 0.002 -2.540
581 HA VAL 78 HA VAL 78 -9.810 -1.897 -1.223
582 HB VAL 78 HB VAL 78 -10.311 -0.198 -3.713
583 HG11 VAL 78 HG11 VAL 78 -11.834 -2.116 -3.548
584 HG12 VAL 78 HG12 VAL 78 -12.709 -0.614 -3.254
585 HG13 VAL 78 HG13 VAL 78 -12.271 -1.660 -1.900
586 HG21 VAL 78 HG21 VAL 78 -9.835 1.269 -1.805
587 HG22 VAL 78 HG22 VAL 78 -11.043 0.433 -0.826
588 HG23 VAL 78 HG23 VAL 78 -11.542 1.363 -2.241
589 H ALA 79 H ALA 79 -9.397 -3.991 -1.712
590 HA ALA 79 HA ALA 79 -8.113 -4.842 -4.163
591 HB1 ALA 79 HB1 ALA 79 -8.212 -7.093 -3.183
592 HB2 ALA 79 HB2 ALA 79 -9.267 -6.503 -1.897
593 HB3 ALA 79 HB3 ALA 79 -7.603 -5.926 -2.008
594 H GLY 80 H GLY 80 -11.016 -6.297 -2.732
595 HA2 GLY 80 HA2 GLY 80 -12.876 -5.806 -4.802
596 HA3 GLY 80 HA3 GLY 80 -12.074 -7.346 -5.113
597 H ASP 81 H ASP 81 -12.670 -6.068 -1.913
598 HA ASP 81 HA ASP 81 -14.946 -7.399 -1.043
599 HB2 ASP 81 HB2 ASP 81 -13.802 -9.512 -1.661
600 HB3 ASP 81 HB3 ASP 81 -12.406 -9.061 -0.696
601 H GLU 82 H GLU 82 -11.545 -7.175 0.043
602 HA GLU 82 HA GLU 82 -12.329 -5.676 2.476
603 HB2 GLU 82 HB2 GLU 82 -9.747 -7.166 1.821
604 HB3 GLU 82 HB3 GLU 82 -10.073 -6.327 3.333
605 HG2 GLU 82 HG2 GLU 82 -11.657 -8.707 2.310
606 HG3 GLU 82 HG3 GLU 82 -10.337 -8.804 3.471
607 H CYS 83 H CYS 83 -10.814 -3.939 3.202
608 HA CYS 83 HA CYS 83 -9.105 -2.703 1.178
609 HB2 CYS 83 HB2 CYS 83 -10.126 -0.454 1.448
610 HB3 CYS 83 HB3 CYS 83 -11.252 -1.614 0.753
611 HG CYS 83 HG CYS 83 -12.100 0.399 2.873
612 H ALA 84 H ALA 84 -7.283 -1.868 2.009
613 HA ALA 84 HA ALA 84 -6.873 -1.843 4.918
614 HB1 ALA 84 HB1 ALA 84 -4.852 -1.558 2.663
615 HB2 ALA 84 HB2 ALA 84 -5.250 -3.058 3.502
616 HB3 ALA 84 HB3 ALA 84 -4.478 -1.738 4.382
617 H TYR 85 H TYR 85 -5.731 -0.036 5.956
618 HA TYR 85 HA TYR 85 -6.086 2.601 4.641
619 HB2 TYR 85 HB2 TYR 85 -6.938 1.905 7.487
620 HB3 TYR 85 HB3 TYR 85 -6.927 3.532 6.811
621 HD1 TYR 85 HD2 TYR 85 -8.472 4.068 4.854
622 HD2 TYR 85 HD1 TYR 85 -8.810 0.424 7.070
623 HE1 TYR 85 HE2 TYR 85 -10.734 3.727 3.956
624 HE2 TYR 85 HE1 TYR 85 -11.068 0.090 6.158
625 HH TYR 85 HH TYR 85 -12.862 1.358 5.225
626 H PHE 86 H PHE 86 -4.505 4.035 4.922
627 HA PHE 86 HA PHE 86 -2.233 3.497 6.759
628 HB2 PHE 86 HB2 PHE 86 -2.059 4.726 3.964
629 HB3 PHE 86 HB3 PHE 86 -0.708 4.379 5.034
630 HD1 PHE 86 HD1 PHE 86 -3.461 2.718 3.094
631 HD2 PHE 86 HD2 PHE 86 0.404 2.285 4.872
632 HE1 PHE 86 HE1 PHE 86 -3.214 0.510 2.041
633 HE2 PHE 86 HE2 PHE 86 0.638 0.081 3.813
634 HZ PHE 86 HZ PHE 86 -1.168 -0.810 2.400
635 H THR 87 H THR 87 -1.214 5.385 7.621
636 HA THR 87 HA THR 87 -2.398 8.037 7.120
637 HB THR 87 HB THR 87 -2.096 6.795 9.895
638 HG1 THR 87 HG1 THR 87 -4.458 7.993 9.453
639 HG21 THR 87 HG21 THR 87 -2.859 8.965 10.824
640 HG22 THR 87 HG22 THR 87 -2.787 9.681 9.216
641 HG23 THR 87 HG23 THR 87 -1.305 9.138 10.002
642 H VAL 88 H VAL 88 -0.608 8.928 6.208
643 HA VAL 88 HA VAL 88 2.040 8.632 7.465
644 HB VAL 88 HB VAL 88 1.296 10.018 4.844
645 HG11 VAL 88 HG11 VAL 88 4.037 9.255 5.946
646 HG12 VAL 88 HG12 VAL 88 3.398 10.890 5.784
647 HG13 VAL 88 HG13 VAL 88 3.731 9.933 4.342
648 HG21 VAL 88 HG21 VAL 88 0.809 7.610 4.728
649 HG22 VAL 88 HG22 VAL 88 2.439 7.228 5.284
650 HG23 VAL 88 HG23 VAL 88 2.200 8.004 3.716
651 H THR 89 H THR 89 2.511 10.083 9.044
652 HA THR 89 HA THR 89 1.400 12.833 8.947
653 HB THR 89 HB THR 89 2.597 11.353 11.339
654 HG1 THR 89 HG1 THR 89 -0.074 12.015 11.413
655 HG21 THR 89 HG21 THR 89 1.107 14.009 11.220
656 HG22 THR 89 HG22 THR 89 2.825 13.812 11.571
657 HG23 THR 89 HG23 THR 89 1.620 13.188 12.696
658 H ILE 90 H ILE 90 2.760 14.373 8.256
659 HA ILE 90 HA ILE 90 5.684 13.976 8.253
660 HB ILE 90 HB ILE 90 3.971 16.088 6.871
661 HG12 ILE 90 HG12 ILE 90 3.601 13.829 5.918
662 HG13 ILE 90 HG13 ILE 90 4.420 14.876 4.766
663 HG21 ILE 90 HG21 ILE 90 6.204 16.984 7.290
664 HG22 ILE 90 HG22 ILE 90 5.996 16.671 5.569
665 HG23 ILE 90 HG23 ILE 90 6.947 15.560 6.557
666 HD11 ILE 90 HD11 ILE 90 5.306 12.613 4.738
667 HD12 ILE 90 HD12 ILE 90 5.739 12.736 6.441
668 HD13 ILE 90 HD13 ILE 90 6.538 13.764 5.247
Start of MODEL 16
1 H HIS 1 H1 HIS 1 -14.076 -19.427 -9.343
2 HA HIS 1 HA HIS 1 -13.027 -17.301 -8.895
3 HB2 HIS 1 HB2 HIS 1 -15.130 -17.432 -10.223
4 HB3 HIS 1 HB3 HIS 1 -16.080 -17.267 -8.756
5 HD1 HIS 1 HD1 HIS 1 -16.192 -14.898 -7.676
6 HD2 HIS 1 HD2 HIS 1 -14.103 -15.036 -11.268
7 HE1 HIS 1 HE1 HIS 1 -15.989 -12.519 -8.427
8 HE2 HIS 1 HE2 HIS 1 -14.869 -12.639 -10.669
9 H MET 2 H MET 2 -11.974 -17.448 -6.833
10 HA MET 2 HA MET 2 -13.424 -16.623 -4.430
11 HB2 MET 2 HB2 MET 2 -10.540 -17.486 -4.884
12 HB3 MET 2 HB3 MET 2 -11.138 -16.925 -3.326
13 HG2 MET 2 HG2 MET 2 -11.064 -19.353 -3.395
14 HG3 MET 2 HG3 MET 2 -12.732 -18.795 -3.255
15 HE1 MET 2 HE1 MET 2 -13.006 -22.097 -5.408
16 HE2 MET 2 HE2 MET 2 -13.509 -21.293 -3.922
17 HE3 MET 2 HE3 MET 2 -11.831 -21.801 -4.128
18 HA PRO 3 HA PRO 3 -12.336 -12.302 -5.037
19 HB2 PRO 3 HB2 PRO 3 -12.950 -11.297 -2.599
20 HB3 PRO 3 HB3 PRO 3 -14.200 -11.944 -3.671
21 HG2 PRO 3 HG2 PRO 3 -12.817 -13.294 -1.348
22 HG3 PRO 3 HG3 PRO 3 -14.557 -13.201 -1.707
23 HD2 PRO 3 HD2 PRO 3 -13.043 -15.375 -2.360
24 HD3 PRO 3 HD3 PRO 3 -14.438 -14.864 -3.336
25 H VAL 4 H VAL 4 -11.229 -10.565 -3.057
26 HA VAL 4 HA VAL 4 -8.522 -11.701 -2.627
27 HB VAL 4 HB VAL 4 -8.290 -10.419 -4.627
28 HG11 VAL 4 HG11 VAL 4 -8.903 -8.044 -4.870
29 HG12 VAL 4 HG12 VAL 4 -9.633 -8.059 -3.263
30 HG13 VAL 4 HG13 VAL 4 -10.316 -9.052 -4.551
31 HG21 VAL 4 HG21 VAL 4 -6.646 -8.685 -3.949
32 HG22 VAL 4 HG22 VAL 4 -6.446 -10.178 -3.038
33 HG23 VAL 4 HG23 VAL 4 -7.226 -8.786 -2.285
34 H HIS 5 H HIS 5 -8.633 -11.948 -0.474
35 HA HIS 5 HA HIS 5 -9.507 -9.846 1.329
36 HB2 HIS 5 HB2 HIS 5 -9.792 -12.387 1.733
37 HB3 HIS 5 HB3 HIS 5 -8.081 -12.421 2.137
38 HD1 HIS 5 HD1 HIS 5 -7.370 -11.017 4.313
39 HD2 HIS 5 HD2 HIS 5 -11.463 -11.410 3.703
40 HE1 HIS 5 HE1 HIS 5 -8.448 -10.263 6.444
41 HE2 HIS 5 HE2 HIS 5 -10.904 -10.257 5.945
42 H ILE 6 H ILE 6 -8.189 -8.237 2.042
43 HA ILE 6 HA ILE 6 -5.347 -8.215 1.584
44 HB ILE 6 HB ILE 6 -7.055 -6.317 3.269
45 HG12 ILE 6 HG12 ILE 6 -6.027 -6.108 0.393
46 HG13 ILE 6 HG13 ILE 6 -7.703 -6.317 0.886
47 HG21 ILE 6 HG21 ILE 6 -5.145 -4.733 3.126
48 HG22 ILE 6 HG22 ILE 6 -4.178 -5.959 2.305
49 HG23 ILE 6 HG23 ILE 6 -4.686 -6.208 3.976
50 HD11 ILE 6 HD11 ILE 6 -5.986 -3.887 1.366
51 HD12 ILE 6 HD12 ILE 6 -7.651 -4.088 1.921
52 HD13 ILE 6 HD13 ILE 6 -7.293 -4.057 0.196
53 H VAL 7 H VAL 7 -4.301 -9.798 2.637
54 HA VAL 7 HA VAL 7 -4.709 -10.415 5.449
55 HB VAL 7 HB VAL 7 -2.929 -12.123 5.120
56 HG11 VAL 7 HG11 VAL 7 -5.267 -12.719 4.618
57 HG12 VAL 7 HG12 VAL 7 -4.167 -13.576 3.540
58 HG13 VAL 7 HG13 VAL 7 -5.069 -12.177 2.949
59 HG21 VAL 7 HG21 VAL 7 -1.962 -12.542 2.879
60 HG22 VAL 7 HG22 VAL 7 -1.507 -10.946 3.476
61 HG23 VAL 7 HG23 VAL 7 -2.769 -11.100 2.251
62 H ASP 8 H ASP 8 -2.573 -8.469 3.547
63 HA ASP 8 HA ASP 8 -1.304 -7.385 5.949
64 HB2 ASP 8 HB2 ASP 8 0.338 -8.984 5.129
65 HB3 ASP 8 HB3 ASP 8 0.183 -8.373 3.489
66 HA PRO 9 HA PRO 9 -0.773 -5.549 6.772
67 HB2 PRO 9 HB2 PRO 9 -1.923 -3.228 7.618
68 HB3 PRO 9 HB3 PRO 9 -0.370 -3.268 6.769
69 HG2 PRO 9 HG2 PRO 9 -3.117 -2.693 5.666
70 HG3 PRO 9 HG3 PRO 9 -1.599 -1.809 5.400
71 HD2 PRO 9 HD2 PRO 9 -2.571 -3.621 3.602
72 HD3 PRO 9 HD3 PRO 9 -0.826 -3.361 3.829
73 H ARG 10 H ARG 10 -1.861 -6.333 8.494
74 HA ARG 10 HA ARG 10 -4.392 -7.509 8.343
75 HB2 ARG 10 HB2 ARG 10 -2.646 -6.762 10.721
76 HB3 ARG 10 HB3 ARG 10 -4.137 -7.677 10.903
77 HG2 ARG 10 HG2 ARG 10 -1.785 -8.587 9.216
78 HG3 ARG 10 HG3 ARG 10 -2.064 -9.076 10.890
79 HD2 ARG 10 HD2 ARG 10 -3.885 -9.630 8.520
80 HD3 ARG 10 HD3 ARG 10 -2.864 -10.803 9.362
81 HE ARG 10 HE ARG 10 -4.774 -9.471 11.074
82 HH11 ARG 10 HH11 ARG 10 -4.294 -12.212 9.015
83 HH12 ARG 10 HH12 ARG 10 -5.614 -13.080 9.713
84 HH21 ARG 10 HH21 ARG 10 -6.440 -10.604 11.921
85 HH22 ARG 10 HH22 ARG 10 -6.811 -12.182 11.322
86 H GLU 11 H GLU 11 -3.514 -4.279 9.270
87 HA GLU 11 HA GLU 11 -6.204 -3.356 9.720
88 HB2 GLU 11 HB2 GLU 11 -5.858 -2.759 12.134
89 HB3 GLU 11 HB3 GLU 11 -5.869 -4.498 11.852
90 HG2 GLU 11 HG2 GLU 11 -3.312 -4.396 11.851
91 HG3 GLU 11 HG3 GLU 11 -3.461 -2.736 12.425
92 H HIS 12 H HIS 12 -5.815 -1.083 11.121
93 HA HIS 12 HA HIS 12 -4.717 0.855 9.520
94 HB2 HIS 12 HB2 HIS 12 -4.790 2.305 11.602
95 HB3 HIS 12 HB3 HIS 12 -6.273 1.418 11.279
96 HD1 HIS 12 HD1 HIS 12 -6.713 -0.731 12.834
97 HD2 HIS 12 HD2 HIS 12 -3.675 1.807 14.108
98 HE1 HIS 12 HE1 HIS 12 -6.264 -1.364 15.210
99 HE2 HIS 12 HE2 HIS 12 -4.316 0.062 15.899
100 H VAL 13 H VAL 13 -2.707 1.555 9.043
101 HA VAL 13 HA VAL 13 -0.410 0.920 10.835
102 HB VAL 13 HB VAL 13 -0.387 1.200 7.785
103 HG11 VAL 13 HG11 VAL 13 1.928 0.560 9.662
104 HG12 VAL 13 HG12 VAL 13 1.710 2.053 8.749
105 HG13 VAL 13 HG13 VAL 13 1.996 0.537 7.897
106 HG21 VAL 13 HG21 VAL 13 -1.387 -0.927 8.523
107 HG22 VAL 13 HG22 VAL 13 0.032 -1.276 9.513
108 HG23 VAL 13 HG23 VAL 13 0.175 -1.204 7.754
109 H PHE 14 H PHE 14 0.044 2.760 11.928
110 HA PHE 14 HA PHE 14 -0.178 5.400 10.717
111 HB2 PHE 14 HB2 PHE 14 -0.782 5.038 13.117
112 HB3 PHE 14 HB3 PHE 14 0.888 4.605 13.470
113 HD1 PHE 14 HD1 PHE 14 -1.291 7.399 12.297
114 HD2 PHE 14 HD2 PHE 14 2.516 6.328 13.926
115 HE1 PHE 14 HE1 PHE 14 -0.779 9.774 12.669
116 HE2 PHE 14 HE2 PHE 14 3.014 8.708 14.301
117 HZ PHE 14 HZ PHE 14 1.372 10.432 13.670
118 H VAL 15 H VAL 15 1.374 6.086 9.390
119 HA VAL 15 HA VAL 15 4.191 5.207 9.694
120 HB VAL 15 HB VAL 15 2.780 6.343 7.227
121 HG11 VAL 15 HG11 VAL 15 5.586 5.184 7.475
122 HG12 VAL 15 HG12 VAL 15 5.178 6.879 7.199
123 HG13 VAL 15 HG13 VAL 15 4.806 5.673 5.967
124 HG21 VAL 15 HG21 VAL 15 3.574 3.463 7.825
125 HG22 VAL 15 HG22 VAL 15 2.905 4.046 6.301
126 HG23 VAL 15 HG23 VAL 15 1.929 4.101 7.767
127 H HIS 16 H HIS 16 5.337 6.760 10.832
128 HA HIS 16 HA HIS 16 4.883 9.602 10.399
129 HB2 HIS 16 HB2 HIS 16 5.612 8.965 12.630
130 HB3 HIS 16 HB3 HIS 16 7.039 8.153 11.993
131 HD1 HIS 16 HD1 HIS 16 9.118 9.533 12.055
132 HD2 HIS 16 HD2 HIS 16 5.716 11.921 12.003
133 HE1 HIS 16 HE1 HIS 16 9.949 11.892 12.153
134 HE2 HIS 16 HE2 HIS 16 7.892 13.307 11.941
135 H ALA 17 H ALA 17 5.484 10.434 8.511
136 HA ALA 17 HA ALA 17 7.989 9.642 7.166
137 HB1 ALA 17 HB1 ALA 17 5.698 11.388 6.200
138 HB2 ALA 17 HB2 ALA 17 5.949 9.690 5.799
139 HB3 ALA 17 HB3 ALA 17 7.102 10.905 5.244
140 H ILE 18 H ILE 18 9.516 11.242 6.525
141 HA ILE 18 HA ILE 18 9.427 13.884 7.901
142 HB ILE 18 HB ILE 18 11.866 12.359 6.837
143 HG12 ILE 18 HG12 ILE 18 11.015 12.774 9.747
144 HG13 ILE 18 HG13 ILE 18 10.873 11.265 8.855
145 HG21 ILE 18 HG21 ILE 18 12.235 14.785 6.760
146 HG22 ILE 18 HG22 ILE 18 13.252 14.043 7.993
147 HG23 ILE 18 HG23 ILE 18 11.798 14.925 8.466
148 HD11 ILE 18 HD11 ILE 18 13.324 11.164 8.665
149 HD12 ILE 18 HD12 ILE 18 12.774 11.207 10.339
150 HD13 ILE 18 HD13 ILE 18 13.444 12.659 9.599
151 H THR 19 H THR 19 10.184 15.744 6.591
152 HA THR 19 HA THR 19 9.198 15.942 3.972
153 HB THR 19 HB THR 19 10.514 18.085 3.820
154 HG1 THR 19 HG1 THR 19 12.000 18.589 5.313
155 HG21 THR 19 HG21 THR 19 9.421 19.262 5.690
156 HG22 THR 19 HG22 THR 19 9.094 17.723 6.486
157 HG23 THR 19 HG23 THR 19 8.308 18.106 4.954
158 H SER 20 H SER 20 9.970 15.330 2.056
159 HA SER 20 HA SER 20 11.218 14.567 0.348
160 HB2 SER 20 HB2 SER 20 12.604 16.597 0.771
161 HB3 SER 20 HB3 SER 20 13.646 15.657 1.834
162 HG SER 20 HG SER 20 13.776 15.918 -0.813
163 H GLU 21 H GLU 21 10.910 12.914 2.965
164 HA GLU 21 HA GLU 21 13.155 11.015 2.767
165 HB2 GLU 21 HB2 GLU 21 11.945 11.981 4.954
166 HB3 GLU 21 HB3 GLU 21 10.826 10.661 4.672
167 HG2 GLU 21 HG2 GLU 21 13.820 10.301 5.034
168 HG3 GLU 21 HG3 GLU 21 12.659 10.224 6.354
169 H CYS 22 H CYS 22 12.799 8.724 2.392
170 HA CYS 22 HA CYS 22 10.840 8.190 0.312
171 HB2 CYS 22 HB2 CYS 22 12.976 6.361 1.485
172 HB3 CYS 22 HB3 CYS 22 12.095 6.107 -0.023
173 HG CYS 22 HG CYS 22 13.434 9.034 -0.294
174 H VAL 23 H VAL 23 8.824 7.499 0.818
175 HA VAL 23 HA VAL 23 8.387 5.575 3.055
176 HB VAL 23 HB VAL 23 6.394 7.497 1.755
177 HG11 VAL 23 HG11 VAL 23 4.777 6.772 3.500
178 HG12 VAL 23 HG12 VAL 23 5.929 5.554 4.056
179 HG13 VAL 23 HG13 VAL 23 5.240 5.441 2.437
180 HG21 VAL 23 HG21 VAL 23 6.379 8.656 3.951
181 HG22 VAL 23 HG22 VAL 23 7.979 8.673 3.212
182 HG23 VAL 23 HG23 VAL 23 7.635 7.560 4.537
183 H MET 24 H MET 24 7.728 3.530 2.484
184 HA MET 24 HA MET 24 6.443 3.093 -0.159
185 HB2 MET 24 HB2 MET 24 8.489 1.297 1.212
186 HB3 MET 24 HB3 MET 24 7.552 0.831 -0.203
187 HG2 MET 24 HG2 MET 24 8.606 2.683 -1.478
188 HG3 MET 24 HG3 MET 24 9.587 3.070 -0.063
189 HE1 MET 24 HE1 MET 24 8.561 -0.555 -1.311
190 HE2 MET 24 HE2 MET 24 9.920 -0.929 -2.367
191 HE3 MET 24 HE3 MET 24 8.788 0.351 -2.807
192 H LEU 25 H LEU 25 4.350 2.866 0.448
193 HA LEU 25 HA LEU 25 3.509 1.326 2.757
194 HB2 LEU 25 HB2 LEU 25 1.882 2.462 0.457
195 HB3 LEU 25 HB3 LEU 25 1.222 1.810 1.954
196 HG LEU 25 HG LEU 25 2.917 4.322 1.684
197 HD11 LEU 25 HD11 LEU 25 -0.018 3.981 2.335
198 HD12 LEU 25 HD12 LEU 25 0.659 4.609 0.831
199 HD13 LEU 25 HD13 LEU 25 0.873 5.507 2.331
200 HD21 LEU 25 HD21 LEU 25 1.684 3.118 4.191
201 HD22 LEU 25 HD22 LEU 25 2.461 4.699 4.082
202 HD23 LEU 25 HD23 LEU 25 3.408 3.238 3.824
203 H ALA 26 H ALA 26 3.890 -0.835 2.596
204 HA ALA 26 HA ALA 26 3.477 -2.294 0.092
205 HB1 ALA 26 HB1 ALA 26 4.490 -4.191 1.278
206 HB2 ALA 26 HB2 ALA 26 4.488 -3.271 2.784
207 HB3 ALA 26 HB3 ALA 26 5.497 -2.748 1.435
208 H CYS 27 H CYS 27 1.865 -3.753 -0.256
209 HA CYS 27 HA CYS 27 0.043 -4.577 1.908
210 HB2 CYS 27 HB2 CYS 27 -1.098 -2.701 0.780
211 HB3 CYS 27 HB3 CYS 27 -0.867 -3.470 -0.787
212 HG CYS 27 HG CYS 27 -2.404 -5.674 1.001
213 H GLU 28 H GLU 28 0.211 -6.718 1.945
214 HA GLU 28 HA GLU 28 0.583 -8.273 -0.554
215 HB2 GLU 28 HB2 GLU 28 2.168 -8.380 1.615
216 HB3 GLU 28 HB3 GLU 28 0.921 -9.451 2.226
217 HG2 GLU 28 HG2 GLU 28 2.536 -9.872 -0.308
218 HG3 GLU 28 HG3 GLU 28 2.832 -10.644 1.240
219 H VAL 29 H VAL 29 -1.016 -9.684 -1.159
220 HA VAL 29 HA VAL 29 -3.468 -9.841 0.510
221 HB VAL 29 HB VAL 29 -4.815 -9.548 -1.609
222 HG11 VAL 29 HG11 VAL 29 -4.626 -7.089 -1.715
223 HG12 VAL 29 HG12 VAL 29 -3.083 -7.157 -0.861
224 HG13 VAL 29 HG13 VAL 29 -4.566 -7.663 -0.048
225 HG21 VAL 29 HG21 VAL 29 -3.723 -8.505 -3.588
226 HG22 VAL 29 HG22 VAL 29 -3.100 -10.123 -3.270
227 HG23 VAL 29 HG23 VAL 29 -2.144 -8.708 -2.818
228 H ASP 30 H ASP 30 -4.896 -11.601 -0.012
229 HA ASP 30 HA ASP 30 -3.640 -14.090 -0.173
230 HB2 ASP 30 HB2 ASP 30 -5.732 -13.807 1.024
231 HB3 ASP 30 HB3 ASP 30 -6.561 -13.288 -0.438
232 H ARG 31 H ARG 31 -5.211 -12.215 -2.742
233 HA ARG 31 HA ARG 31 -5.153 -14.466 -4.635
234 HB2 ARG 31 HB2 ARG 31 -7.222 -13.096 -4.415
235 HB3 ARG 31 HB3 ARG 31 -6.337 -11.669 -4.930
236 HG2 ARG 31 HG2 ARG 31 -5.959 -12.673 -7.137
237 HG3 ARG 31 HG3 ARG 31 -6.767 -14.153 -6.619
238 HD2 ARG 31 HD2 ARG 31 -8.883 -12.876 -6.329
239 HD3 ARG 31 HD3 ARG 31 -8.061 -11.416 -6.892
240 HE ARG 31 HE ARG 31 -8.135 -12.205 -9.059
241 HH11 ARG 31 HH11 ARG 31 -9.199 -14.761 -6.950
242 HH12 ARG 31 HH12 ARG 31 -9.709 -15.756 -8.265
243 HH21 ARG 31 HH21 ARG 31 -8.802 -13.519 -10.694
244 HH22 ARG 31 HH22 ARG 31 -9.480 -15.067 -10.345
245 H GLU 32 H GLU 32 -3.599 -14.659 -6.188
246 HA GLU 32 HA GLU 32 -1.456 -12.773 -6.480
247 HB2 GLU 32 HB2 GLU 32 -2.182 -15.259 -8.082
248 HB3 GLU 32 HB3 GLU 32 -0.768 -14.277 -8.440
249 HG2 GLU 32 HG2 GLU 32 -0.136 -16.239 -7.159
250 HG3 GLU 32 HG3 GLU 32 0.174 -14.773 -6.238
251 H ASP 33 H ASP 33 -4.323 -13.551 -8.424
252 HA ASP 33 HA ASP 33 -3.749 -11.536 -10.467
253 HB2 ASP 33 HB2 ASP 33 -6.223 -13.281 -10.066
254 HB3 ASP 33 HB3 ASP 33 -5.855 -12.328 -11.502
255 H ALA 34 H ALA 34 -4.032 -10.539 -7.777
256 HA ALA 34 HA ALA 34 -6.630 -9.566 -7.156
257 HB1 ALA 34 HB1 ALA 34 -5.481 -8.351 -5.355
258 HB2 ALA 34 HB2 ALA 34 -3.923 -8.732 -6.092
259 HB3 ALA 34 HB3 ALA 34 -4.937 -10.027 -5.457
260 HA PRO 35 HA PRO 35 -6.229 -5.536 -9.379
261 HB2 PRO 35 HB2 PRO 35 -8.884 -4.929 -9.402
262 HB3 PRO 35 HB3 PRO 35 -8.171 -6.027 -10.594
263 HG2 PRO 35 HG2 PRO 35 -9.740 -6.674 -8.110
264 HG3 PRO 35 HG3 PRO 35 -9.831 -7.421 -9.718
265 HD2 PRO 35 HD2 PRO 35 -8.439 -8.508 -7.578
266 HD3 PRO 35 HD3 PRO 35 -8.056 -8.846 -9.280
267 H VAL 36 H VAL 36 -5.913 -3.633 -8.255
268 HA VAL 36 HA VAL 36 -7.197 -3.205 -5.616
269 HB VAL 36 HB VAL 36 -5.049 -2.289 -4.691
270 HG11 VAL 36 HG11 VAL 36 -4.869 -5.217 -5.493
271 HG12 VAL 36 HG12 VAL 36 -5.714 -4.570 -4.085
272 HG13 VAL 36 HG13 VAL 36 -3.958 -4.445 -4.190
273 HG21 VAL 36 HG21 VAL 36 -2.886 -2.789 -5.796
274 HG22 VAL 36 HG22 VAL 36 -3.895 -1.757 -6.809
275 HG23 VAL 36 HG23 VAL 36 -3.744 -3.476 -7.179
276 H ARG 37 H ARG 37 -6.999 -0.995 -4.843
277 HA ARG 37 HA ARG 37 -6.614 1.079 -6.887
278 HB2 ARG 37 HB2 ARG 37 -9.082 0.300 -6.766
279 HB3 ARG 37 HB3 ARG 37 -9.131 1.024 -5.165
280 HG2 ARG 37 HG2 ARG 37 -8.579 3.221 -6.139
281 HG3 ARG 37 HG3 ARG 37 -8.491 2.487 -7.743
282 HD2 ARG 37 HD2 ARG 37 -10.959 2.714 -5.986
283 HD3 ARG 37 HD3 ARG 37 -10.645 3.609 -7.476
284 HE ARG 37 HE ARG 37 -11.358 0.761 -7.238
285 HH11 ARG 37 HH11 ARG 37 -10.687 3.435 -9.338
286 HH12 ARG 37 HH12 ARG 37 -11.327 2.625 -10.724
287 HH21 ARG 37 HH21 ARG 37 -12.166 -0.236 -9.030
288 HH22 ARG 37 HH22 ARG 37 -12.159 0.584 -10.552
289 H TRP 38 H TRP 38 -5.027 2.213 -5.919
290 HA TRP 38 HA TRP 38 -4.851 2.490 -3.015
291 HB2 TRP 38 HB2 TRP 38 -3.058 3.363 -5.325
292 HB3 TRP 38 HB3 TRP 38 -2.741 3.849 -3.662
293 HD1 TRP 38 HD1 TRP 38 -2.558 0.775 -5.963
294 HE1 TRP 38 HE1 TRP 38 -1.185 -1.041 -4.763
295 HE3 TRP 38 HE3 TRP 38 -2.163 2.964 -1.362
296 HZ2 TRP 38 HZ2 TRP 38 -0.087 -1.489 -2.197
297 HZ3 TRP 38 HZ3 TRP 38 -0.941 1.780 0.416
298 HH2 TRP 38 HH2 TRP 38 0.077 -0.400 0.007
299 H TYR 39 H TYR 39 -5.371 4.316 -1.906
300 HA TYR 39 HA TYR 39 -6.178 6.770 -3.373
301 HB2 TYR 39 HB2 TYR 39 -7.263 5.542 -0.812
302 HB3 TYR 39 HB3 TYR 39 -7.540 7.232 -1.215
303 HD1 TYR 39 HD1 TYR 39 -8.191 3.724 -2.414
304 HD2 TYR 39 HD2 TYR 39 -9.268 7.854 -2.750
305 HE1 TYR 39 HE1 TYR 39 -10.154 3.115 -3.750
306 HE2 TYR 39 HE2 TYR 39 -11.227 7.230 -4.091
307 HH TYR 39 HH TYR 39 -12.376 4.070 -4.301
308 H LYS 40 H LYS 40 -5.986 8.779 -1.794
309 HA LYS 40 HA LYS 40 -3.398 8.769 -0.404
310 HB2 LYS 40 HB2 LYS 40 -2.988 8.760 -2.916
311 HB3 LYS 40 HB3 LYS 40 -3.763 10.329 -3.003
312 HG2 LYS 40 HG2 LYS 40 -1.373 9.934 -1.208
313 HG3 LYS 40 HG3 LYS 40 -1.136 10.100 -2.944
314 HD2 LYS 40 HD2 LYS 40 -2.424 12.297 -2.786
315 HD3 LYS 40 HD3 LYS 40 -2.332 12.131 -1.027
316 HE2 LYS 40 HE2 LYS 40 0.057 12.280 -1.048
317 HE3 LYS 40 HE3 LYS 40 0.120 12.119 -2.810
318 HZ1 LYS 40 HZ1 LYS 40 0.452 14.389 -2.155
319 HZ2 LYS 40 HZ2 LYS 40 -1.007 14.410 -1.299
320 HZ3 LYS 40 HZ3 LYS 40 -1.019 14.259 -2.982
321 H ASP 41 H ASP 41 -5.818 10.911 -1.947
322 HA ASP 41 HA ASP 41 -5.888 12.683 0.421
323 HB2 ASP 41 HB2 ASP 41 -4.213 13.520 -1.338
324 HB3 ASP 41 HB3 ASP 41 -5.574 13.726 -2.441
325 H GLY 42 H GLY 42 -7.778 10.741 -0.366
326 HA2 GLY 42 HA2 GLY 42 -10.113 10.577 -0.542
327 HA3 GLY 42 HA3 GLY 42 -10.187 12.242 -1.105
328 H GLN 43 H GLN 43 -8.130 11.865 -3.113
329 HA GLN 43 HA GLN 43 -9.575 10.585 -5.297
330 HB2 GLN 43 HB2 GLN 43 -6.848 11.966 -5.297
331 HB3 GLN 43 HB3 GLN 43 -7.802 11.540 -6.716
332 HG2 GLN 43 HG2 GLN 43 -9.521 13.191 -6.043
333 HG3 GLN 43 HG3 GLN 43 -8.556 13.613 -4.627
334 HE21 GLN 43 HE21 GLN 43 -8.269 15.765 -5.261
335 HE22 GLN 43 HE22 GLN 43 -7.300 16.233 -6.606
336 H GLU 44 H GLU 44 -8.641 8.844 -6.570
337 HA GLU 44 HA GLU 44 -6.889 7.035 -5.125
338 HB2 GLU 44 HB2 GLU 44 -7.261 5.433 -6.879
339 HB3 GLU 44 HB3 GLU 44 -8.809 6.179 -6.504
340 HG2 GLU 44 HG2 GLU 44 -8.795 7.457 -8.526
341 HG3 GLU 44 HG3 GLU 44 -7.104 7.081 -8.844
342 H VAL 45 H VAL 45 -5.008 6.004 -6.440
343 HA VAL 45 HA VAL 45 -3.257 8.205 -7.274
344 HB VAL 45 HB VAL 45 -2.517 5.353 -6.466
345 HG11 VAL 45 HG11 VAL 45 -0.718 7.761 -6.990
346 HG12 VAL 45 HG12 VAL 45 -0.842 6.314 -7.992
347 HG13 VAL 45 HG13 VAL 45 -0.183 6.199 -6.361
348 HG21 VAL 45 HG21 VAL 45 -2.304 7.944 -4.867
349 HG22 VAL 45 HG22 VAL 45 -1.720 6.361 -4.351
350 HG23 VAL 45 HG23 VAL 45 -3.447 6.630 -4.570
351 H GLU 46 H GLU 46 -3.417 8.549 -9.371
352 HA GLU 46 HA GLU 46 -3.094 6.340 -11.342
353 HB2 GLU 46 HB2 GLU 46 -4.168 9.177 -11.733
354 HB3 GLU 46 HB3 GLU 46 -4.136 7.900 -12.948
355 HG2 GLU 46 HG2 GLU 46 -5.810 6.625 -11.775
356 HG3 GLU 46 HG3 GLU 46 -5.707 7.670 -10.360
357 H GLU 47 H GLU 47 -0.930 7.183 -9.852
358 HA GLU 47 HA GLU 47 1.062 8.182 -9.652
359 HB2 GLU 47 HB2 GLU 47 0.897 8.163 -12.679
360 HB3 GLU 47 HB3 GLU 47 2.330 8.713 -11.826
361 HG2 GLU 47 HG2 GLU 47 2.633 6.426 -12.550
362 HG3 GLU 47 HG3 GLU 47 2.591 6.499 -10.797
363 H SER 48 H SER 48 2.447 10.225 -10.234
364 HA SER 48 HA SER 48 0.908 12.627 -10.839
365 HB2 SER 48 HB2 SER 48 0.272 12.318 -8.481
366 HB3 SER 48 HB3 SER 48 1.962 12.167 -8.008
367 HG SER 48 HG SER 48 0.627 14.470 -8.999
368 H ASP 49 H ASP 49 3.817 11.995 -8.891
369 HA ASP 49 HA ASP 49 5.733 12.724 -10.850
370 HB2 ASP 49 HB2 ASP 49 4.720 14.995 -10.353
371 HB3 ASP 49 HB3 ASP 49 5.219 14.814 -8.673
372 H PHE 50 H PHE 50 5.318 13.218 -7.322
373 HA PHE 50 HA PHE 50 7.545 11.389 -6.720
374 HB2 PHE 50 HB2 PHE 50 5.943 13.246 -4.911
375 HB3 PHE 50 HB3 PHE 50 7.260 12.212 -4.361
376 HD1 PHE 50 HD1 PHE 50 9.557 12.505 -5.601
377 HD2 PHE 50 HD2 PHE 50 6.465 15.464 -5.585
378 HE1 PHE 50 HE1 PHE 50 11.204 14.238 -6.176
379 HE2 PHE 50 HE2 PHE 50 8.128 17.190 -6.157
380 HZ PHE 50 HZ PHE 50 10.494 16.578 -6.453
381 H VAL 51 H VAL 51 4.242 11.080 -7.196
382 HA VAL 51 HA VAL 51 4.013 8.835 -5.258
383 HB VAL 51 HB VAL 51 1.649 10.154 -6.689
384 HG11 VAL 51 HG11 VAL 51 0.315 9.147 -4.868
385 HG12 VAL 51 HG12 VAL 51 1.782 8.467 -4.156
386 HG13 VAL 51 HG13 VAL 51 1.236 7.921 -5.742
387 HG21 VAL 51 HG21 VAL 51 2.764 11.936 -5.402
388 HG22 VAL 51 HG22 VAL 51 2.740 10.937 -3.948
389 HG23 VAL 51 HG23 VAL 51 1.225 11.509 -4.652
390 H VAL 52 H VAL 52 4.617 6.993 -6.287
391 HA VAL 52 HA VAL 52 3.468 6.331 -8.951
392 HB VAL 52 HB VAL 52 5.570 5.155 -9.578
393 HG11 VAL 52 HG11 VAL 52 6.029 8.095 -8.951
394 HG12 VAL 52 HG12 VAL 52 5.230 7.451 -10.387
395 HG13 VAL 52 HG13 VAL 52 6.944 7.131 -10.115
396 HG21 VAL 52 HG21 VAL 52 7.671 5.506 -8.316
397 HG22 VAL 52 HG22 VAL 52 6.471 4.671 -7.330
398 HG23 VAL 52 HG23 VAL 52 6.784 6.387 -7.067
399 H LEU 53 H LEU 53 3.281 4.008 -9.381
400 HA LEU 53 HA LEU 53 2.932 2.368 -6.926
401 HB2 LEU 53 HB2 LEU 53 1.330 2.255 -9.512
402 HB3 LEU 53 HB3 LEU 53 1.079 1.217 -8.113
403 HG LEU 53 HG LEU 53 0.657 4.239 -8.188
404 HD11 LEU 53 HD11 LEU 53 -1.065 3.076 -9.462
405 HD12 LEU 53 HD12 LEU 53 -1.738 3.743 -7.975
406 HD13 LEU 53 HD13 LEU 53 -1.407 2.011 -8.093
407 HD21 LEU 53 HD21 LEU 53 1.393 3.515 -5.961
408 HD22 LEU 53 HD22 LEU 53 0.143 2.269 -5.915
409 HD23 LEU 53 HD23 LEU 53 -0.306 3.977 -5.923
410 H GLU 54 H GLU 54 4.061 0.522 -6.811
411 HA GLU 54 HA GLU 54 5.015 -0.857 -9.265
412 HB2 GLU 54 HB2 GLU 54 6.175 -0.786 -6.449
413 HB3 GLU 54 HB3 GLU 54 6.690 -1.959 -7.657
414 HG2 GLU 54 HG2 GLU 54 6.913 1.055 -7.957
415 HG3 GLU 54 HG3 GLU 54 8.220 -0.009 -7.435
416 H ASN 55 H ASN 55 3.957 -2.732 -9.689
417 HA ASN 55 HA ASN 55 2.545 -4.174 -7.513
418 HB2 ASN 55 HB2 ASN 55 1.320 -3.224 -10.141
419 HB3 ASN 55 HB3 ASN 55 0.537 -4.367 -9.054
420 HD21 ASN 55 HD21 ASN 55 -0.144 -1.580 -9.944
421 HD22 ASN 55 HD22 ASN 55 -0.445 -0.725 -8.476
422 H GLU 56 H GLU 56 3.334 -6.201 -7.520
423 HA GLU 56 HA GLU 56 3.465 -7.717 -10.046
424 HB2 GLU 56 HB2 GLU 56 5.763 -6.972 -9.648
425 HB3 GLU 56 HB3 GLU 56 5.720 -7.587 -8.002
426 HG2 GLU 56 HG2 GLU 56 7.004 -9.057 -9.507
427 HG3 GLU 56 HG3 GLU 56 5.616 -9.885 -8.805
428 H GLY 57 H GLY 57 2.247 -9.464 -9.857
429 HA2 GLY 57 HA2 GLY 57 1.141 -11.300 -9.067
430 HA3 GLY 57 HA3 GLY 57 2.432 -11.449 -7.890
431 HA PRO 58 HA PRO 58 -1.075 -10.341 -5.122
432 HB2 PRO 58 HB2 PRO 58 -0.373 -11.824 -2.998
433 HB3 PRO 58 HB3 PRO 58 -1.029 -12.587 -4.453
434 HG2 PRO 58 HG2 PRO 58 1.837 -12.370 -3.549
435 HG3 PRO 58 HG3 PRO 58 0.985 -13.770 -4.238
436 HD2 PRO 58 HD2 PRO 58 2.617 -12.032 -5.691
437 HD3 PRO 58 HD3 PRO 58 1.361 -13.065 -6.405
438 H HIS 59 H HIS 59 2.087 -9.356 -5.264
439 HA HIS 59 HA HIS 59 2.058 -7.807 -2.739
440 HB2 HIS 59 HB2 HIS 59 4.310 -8.407 -4.703
441 HB3 HIS 59 HB3 HIS 59 4.476 -7.315 -3.330
442 HD1 HIS 59 HD1 HIS 59 5.429 -8.398 -1.320
443 HD2 HIS 59 HD2 HIS 59 3.434 -11.146 -3.710
444 HE1 HIS 59 HE1 HIS 59 5.775 -10.619 -0.222
445 HE2 HIS 59 HE2 HIS 59 4.473 -12.247 -1.620
446 H ARG 60 H ARG 60 0.997 -5.986 -2.966
447 HA ARG 60 HA ARG 60 1.360 -4.220 -5.327
448 HB2 ARG 60 HB2 ARG 60 -0.955 -4.290 -3.330
449 HB3 ARG 60 HB3 ARG 60 -0.855 -3.277 -4.768
450 HG2 ARG 60 HG2 ARG 60 -1.069 -6.313 -4.740
451 HG3 ARG 60 HG3 ARG 60 -2.376 -5.184 -5.099
452 HD2 ARG 60 HD2 ARG 60 -1.050 -4.349 -7.054
453 HD3 ARG 60 HD3 ARG 60 0.157 -5.594 -6.720
454 HE ARG 60 HE ARG 60 -2.613 -6.434 -7.233
455 HH11 ARG 60 HH11 ARG 60 0.671 -6.326 -8.311
456 HH12 ARG 60 HH12 ARG 60 0.369 -7.340 -9.671
457 HH21 ARG 60 HH21 ARG 60 -2.964 -7.750 -9.000
458 HH22 ARG 60 HH22 ARG 60 -1.649 -8.137 -10.052
459 H ARG 61 H ARG 61 2.498 -2.337 -4.878
460 HA ARG 61 HA ARG 61 2.532 -1.293 -2.114
461 HB2 ARG 61 HB2 ARG 61 5.014 -1.105 -2.108
462 HB3 ARG 61 HB3 ARG 61 4.466 -2.777 -2.180
463 HG2 ARG 61 HG2 ARG 61 4.921 -2.827 -4.606
464 HG3 ARG 61 HG3 ARG 61 5.476 -1.154 -4.536
465 HD2 ARG 61 HD2 ARG 61 7.292 -1.893 -2.956
466 HD3 ARG 61 HD3 ARG 61 6.776 -3.566 -3.221
467 HE ARG 61 HE ARG 61 7.602 -1.850 -5.477
468 HH11 ARG 61 HH11 ARG 61 8.221 -4.697 -3.607
469 HH12 ARG 61 HH12 ARG 61 9.268 -5.363 -4.809
470 HH21 ARG 61 HH21 ARG 61 8.916 -2.729 -6.973
471 HH22 ARG 61 HH22 ARG 61 9.673 -4.254 -6.681
472 H LEU 62 H LEU 62 2.411 0.836 -1.983
473 HA LEU 62 HA LEU 62 2.701 2.571 -4.325
474 HB2 LEU 62 HB2 LEU 62 0.773 2.708 -2.675
475 HB3 LEU 62 HB3 LEU 62 1.895 3.311 -1.472
476 HG LEU 62 HG LEU 62 1.477 4.777 -4.114
477 HD11 LEU 62 HD11 LEU 62 -0.166 5.181 -1.593
478 HD12 LEU 62 HD12 LEU 62 -0.743 4.505 -3.119
479 HD13 LEU 62 HD13 LEU 62 -0.223 6.186 -3.048
480 HD21 LEU 62 HD21 LEU 62 2.385 5.790 -1.389
481 HD22 LEU 62 HD22 LEU 62 2.173 6.775 -2.840
482 HD23 LEU 62 HD23 LEU 62 3.415 5.528 -2.800
483 H VAL 63 H VAL 63 4.666 3.369 -4.781
484 HA VAL 63 HA VAL 63 6.717 3.661 -2.679
485 HB VAL 63 HB VAL 63 7.027 3.779 -5.720
486 HG11 VAL 63 HG11 VAL 63 8.797 5.065 -4.604
487 HG12 VAL 63 HG12 VAL 63 9.467 3.589 -5.295
488 HG13 VAL 63 HG13 VAL 63 9.176 3.694 -3.557
489 HG21 VAL 63 HG21 VAL 63 7.665 1.494 -3.801
490 HG22 VAL 63 HG22 VAL 63 8.040 1.520 -5.527
491 HG23 VAL 63 HG23 VAL 63 6.361 1.528 -4.993
492 H LEU 64 H LEU 64 7.300 5.594 -1.952
493 HA LEU 64 HA LEU 64 6.628 8.083 -3.415
494 HB2 LEU 64 HB2 LEU 64 5.511 7.328 -0.982
495 HB3 LEU 64 HB3 LEU 64 6.888 8.248 -0.429
496 HG LEU 64 HG LEU 64 5.038 9.748 -0.449
497 HD11 LEU 64 HD11 LEU 64 7.089 10.753 -1.329
498 HD12 LEU 64 HD12 LEU 64 5.652 11.500 -2.021
499 HD13 LEU 64 HD13 LEU 64 6.598 10.352 -2.976
500 HD21 LEU 64 HD21 LEU 64 3.551 10.118 -2.359
501 HD22 LEU 64 HD22 LEU 64 3.509 8.439 -1.827
502 HD23 LEU 64 HD23 LEU 64 4.407 8.878 -3.282
503 HA PRO 65 HA PRO 65 11.307 7.787 -3.389
504 HB2 PRO 65 HB2 PRO 65 11.441 10.070 -5.096
505 HB3 PRO 65 HB3 PRO 65 11.501 8.377 -5.593
506 HG2 PRO 65 HG2 PRO 65 9.136 10.239 -5.481
507 HG3 PRO 65 HG3 PRO 65 9.560 9.036 -6.717
508 HD2 PRO 65 HD2 PRO 65 7.654 8.483 -4.970
509 HD3 PRO 65 HD3 PRO 65 8.839 7.225 -5.365
510 H ALA 66 H ALA 66 9.557 10.933 -3.169
511 HA ALA 66 HA ALA 66 11.140 11.673 -0.802
512 HB1 ALA 66 HB1 ALA 66 12.406 12.579 -2.718
513 HB2 ALA 66 HB2 ALA 66 11.735 13.875 -1.726
514 HB3 ALA 66 HB3 ALA 66 10.973 13.452 -3.263
515 H THR 67 H THR 67 9.469 11.790 0.587
516 HA THR 67 HA THR 67 6.802 12.547 -0.203
517 HB THR 67 HB THR 67 7.770 11.878 2.614
518 HG1 THR 67 HG1 THR 67 8.157 9.971 1.777
519 HG21 THR 67 HG21 THR 67 5.033 11.553 1.313
520 HG22 THR 67 HG22 THR 67 5.458 12.803 2.482
521 HG23 THR 67 HG23 THR 67 5.456 11.109 2.968
522 H GLN 68 H GLN 68 6.338 14.631 -0.453
523 HA GLN 68 HA GLN 68 7.469 16.794 1.122
524 HB2 GLN 68 HB2 GLN 68 5.263 16.799 -0.994
525 HB3 GLN 68 HB3 GLN 68 6.055 18.234 -0.340
526 HG2 GLN 68 HG2 GLN 68 8.202 17.482 -1.299
527 HG3 GLN 68 HG3 GLN 68 7.412 16.046 -1.945
528 HE21 GLN 68 HE21 GLN 68 8.851 18.144 -3.356
529 HE22 GLN 68 HE22 GLN 68 7.753 18.778 -4.523
530 HA PRO 69 HA PRO 69 4.569 17.105 4.503
531 HB2 PRO 69 HB2 PRO 69 4.026 19.956 3.665
532 HB3 PRO 69 HB3 PRO 69 4.451 19.313 5.259
533 HG2 PRO 69 HG2 PRO 69 6.298 20.543 3.789
534 HG3 PRO 69 HG3 PRO 69 6.722 19.073 4.695
535 HD2 PRO 69 HD2 PRO 69 6.193 19.405 1.748
536 HD3 PRO 69 HD3 PRO 69 7.392 18.383 2.569
537 H SER 70 H SER 70 3.364 18.377 1.432
538 HA SER 70 HA SER 70 0.574 18.306 2.018
539 HB2 SER 70 HB2 SER 70 1.421 19.701 0.209
540 HB3 SER 70 HB3 SER 70 2.033 18.290 -0.650
541 HG SER 70 HG SER 70 -0.708 18.841 -0.085
542 H ASP 71 H ASP 71 2.802 15.855 0.708
543 HA ASP 71 HA ASP 71 0.848 14.025 -0.248
544 HB2 ASP 71 HB2 ASP 71 3.736 13.511 0.555
545 HB3 ASP 71 HB3 ASP 71 2.722 12.361 -0.314
546 H GLY 72 H GLY 72 1.846 14.693 2.934
547 HA2 GLY 72 HA2 GLY 72 1.406 12.090 4.130
548 HA3 GLY 72 HA3 GLY 72 1.742 13.590 4.973
549 H GLY 73 H GLY 73 -0.782 11.667 3.460
550 HA2 GLY 73 HA2 GLY 73 -2.803 12.879 5.280
551 HA3 GLY 73 HA3 GLY 73 -3.155 12.610 3.578
552 H GLU 74 H GLU 74 -4.874 11.211 4.042
553 HA GLU 74 HA GLU 74 -4.302 8.633 5.369
554 HB2 GLU 74 HB2 GLU 74 -6.933 9.870 4.447
555 HB3 GLU 74 HB3 GLU 74 -6.785 8.291 5.224
556 HG2 GLU 74 HG2 GLU 74 -5.899 9.374 7.261
557 HG3 GLU 74 HG3 GLU 74 -6.045 10.951 6.487
558 H PHE 75 H PHE 75 -3.440 7.205 3.988
559 HA PHE 75 HA PHE 75 -4.319 6.978 1.196
560 HB2 PHE 75 HB2 PHE 75 -2.156 5.503 2.757
561 HB3 PHE 75 HB3 PHE 75 -2.499 5.262 1.048
562 HD1 PHE 75 HD2 PHE 75 -1.656 8.080 3.424
563 HD2 PHE 75 HD1 PHE 75 -1.148 6.412 -0.479
564 HE1 PHE 75 HE2 PHE 75 -0.020 9.834 2.880
565 HE2 PHE 75 HE1 PHE 75 0.491 8.165 -1.011
566 HZ PHE 75 HZ PHE 75 1.059 9.874 0.666
567 H GLN 76 H GLN 76 -5.312 5.064 0.370
568 HA GLN 76 HA GLN 76 -6.221 3.015 2.282
569 HB2 GLN 76 HB2 GLN 76 -7.946 4.798 2.330
570 HB3 GLN 76 HB3 GLN 76 -8.150 4.658 0.589
571 HG2 GLN 76 HG2 GLN 76 -9.005 2.367 0.855
572 HG3 GLN 76 HG3 GLN 76 -8.757 2.463 2.600
573 HE21 GLN 76 HE21 GLN 76 -11.249 1.988 1.133
574 HE22 GLN 76 HE22 GLN 76 -12.332 3.243 1.610
575 H CYS 77 H CYS 77 -5.447 1.216 1.343
576 HA CYS 77 HA CYS 77 -5.526 0.798 -1.556
577 HB2 CYS 77 HB2 CYS 77 -3.530 0.042 -0.319
578 HB3 CYS 77 HB3 CYS 77 -4.523 -1.023 0.671
579 HG CYS 77 HG CYS 77 -3.853 -2.998 -0.850
580 H VAL 78 H VAL 78 -7.655 0.495 -2.173
581 HA VAL 78 HA VAL 78 -9.371 -1.462 -0.819
582 HB VAL 78 HB VAL 78 -9.998 0.237 -3.284
583 HG11 VAL 78 HG11 VAL 78 -11.439 -1.748 -3.124
584 HG12 VAL 78 HG12 VAL 78 -12.374 -0.290 -2.795
585 HG13 VAL 78 HG13 VAL 78 -11.872 -1.336 -1.463
586 HG21 VAL 78 HG21 VAL 78 -9.537 1.692 -1.352
587 HG22 VAL 78 HG22 VAL 78 -10.710 0.804 -0.376
588 HG23 VAL 78 HG23 VAL 78 -11.251 1.739 -1.772
589 H ALA 79 H ALA 79 -8.746 -3.529 -1.324
590 HA ALA 79 HA ALA 79 -7.851 -4.329 -3.965
591 HB1 ALA 79 HB1 ALA 79 -7.731 -6.592 -3.002
592 HB2 ALA 79 HB2 ALA 79 -8.543 -6.026 -1.541
593 HB3 ALA 79 HB3 ALA 79 -6.940 -5.416 -1.952
594 H GLY 80 H GLY 80 -10.704 -5.078 -1.937
595 HA2 GLY 80 HA2 GLY 80 -12.607 -4.876 -4.039
596 HA3 GLY 80 HA3 GLY 80 -12.188 -6.569 -3.797
597 H ASP 81 H ASP 81 -12.717 -7.598 -1.830
598 HA ASP 81 HA ASP 81 -15.019 -6.660 -0.423
599 HB2 ASP 81 HB2 ASP 81 -14.549 -8.688 1.090
600 HB3 ASP 81 HB3 ASP 81 -14.842 -9.023 -0.607
601 H GLU 82 H GLU 82 -11.541 -6.823 0.424
602 HA GLU 82 HA GLU 82 -12.021 -5.271 2.899
603 HB2 GLU 82 HB2 GLU 82 -9.489 -6.691 1.982
604 HB3 GLU 82 HB3 GLU 82 -9.704 -5.876 3.528
605 HG2 GLU 82 HG2 GLU 82 -11.284 -8.288 2.606
606 HG3 GLU 82 HG3 GLU 82 -9.864 -8.359 3.641
607 H CYS 83 H CYS 83 -10.819 -3.412 3.413
608 HA CYS 83 HA CYS 83 -9.107 -2.153 1.374
609 HB2 CYS 83 HB2 CYS 83 -10.189 0.066 1.757
610 HB3 CYS 83 HB3 CYS 83 -11.305 -1.097 1.049
611 HG CYS 83 HG CYS 83 -13.142 -0.531 2.741
612 H ALA 84 H ALA 84 -7.241 -1.518 2.277
613 HA ALA 84 HA ALA 84 -6.880 -1.600 5.195
614 HB1 ALA 84 HB1 ALA 84 -4.835 -1.544 2.946
615 HB2 ALA 84 HB2 ALA 84 -5.409 -2.987 3.783
616 HB3 ALA 84 HB3 ALA 84 -4.481 -1.771 4.661
617 H TYR 85 H TYR 85 -6.082 0.141 6.394
618 HA TYR 85 HA TYR 85 -6.143 2.807 5.082
619 HB2 TYR 85 HB2 TYR 85 -6.753 2.109 7.987
620 HB3 TYR 85 HB3 TYR 85 -6.902 3.701 7.246
621 HD1 TYR 85 HD2 TYR 85 -8.610 3.970 5.308
622 HD2 TYR 85 HD1 TYR 85 -8.616 0.590 7.929
623 HE1 TYR 85 HE2 TYR 85 -10.928 3.467 4.663
624 HE2 TYR 85 HE1 TYR 85 -10.933 0.090 7.270
625 HH TYR 85 HH TYR 85 -12.458 1.570 4.604
626 H PHE 86 H PHE 86 -4.405 4.088 5.211
627 HA PHE 86 HA PHE 86 -2.154 3.494 7.055
628 HB2 PHE 86 HB2 PHE 86 -1.910 4.656 4.237
629 HB3 PHE 86 HB3 PHE 86 -0.588 4.219 5.311
630 HD1 PHE 86 HD1 PHE 86 -3.169 2.933 2.997
631 HD2 PHE 86 HD2 PHE 86 0.091 1.867 5.561
632 HE1 PHE 86 HE1 PHE 86 -3.067 0.709 1.952
633 HE2 PHE 86 HE2 PHE 86 0.185 -0.353 4.504
634 HZ PHE 86 HZ PHE 86 -1.392 -0.935 2.701
635 H THR 87 H THR 87 -2.115 5.134 8.544
636 HA THR 87 HA THR 87 -2.964 7.868 7.801
637 HB THR 87 HB THR 87 -2.320 6.740 10.571
638 HG1 THR 87 HG1 THR 87 -4.940 7.384 9.853
639 HG21 THR 87 HG21 THR 87 -2.087 9.207 10.456
640 HG22 THR 87 HG22 THR 87 -3.488 8.745 11.423
641 HG23 THR 87 HG23 THR 87 -3.712 9.330 9.775
642 H VAL 88 H VAL 88 -1.266 8.924 6.837
643 HA VAL 88 HA VAL 88 1.485 8.559 7.872
644 HB VAL 88 HB VAL 88 0.582 9.715 5.193
645 HG11 VAL 88 HG11 VAL 88 2.969 9.531 4.519
646 HG12 VAL 88 HG12 VAL 88 3.394 9.032 6.159
647 HG13 VAL 88 HG13 VAL 88 2.752 10.649 5.866
648 HG21 VAL 88 HG21 VAL 88 1.754 6.965 5.817
649 HG22 VAL 88 HG22 VAL 88 1.374 7.585 4.208
650 HG23 VAL 88 HG23 VAL 88 0.079 7.303 5.368
651 H THR 89 H THR 89 2.354 10.123 9.089
652 HA THR 89 HA THR 89 1.368 12.927 8.931
653 HB THR 89 HB THR 89 2.248 11.378 11.412
654 HG1 THR 89 HG1 THR 89 -0.172 11.757 10.218
655 HG21 THR 89 HG21 THR 89 1.293 14.266 11.211
656 HG22 THR 89 HG22 THR 89 2.929 13.744 11.622
657 HG23 THR 89 HG23 THR 89 1.587 13.383 12.710
658 H ILE 90 H ILE 90 2.899 14.523 8.754
659 HA ILE 90 HA ILE 90 5.767 13.732 8.664
660 HB ILE 90 HB ILE 90 4.379 15.841 6.951
661 HG12 ILE 90 HG12 ILE 90 5.308 13.029 6.190
662 HG13 ILE 90 HG13 ILE 90 3.637 13.552 6.342
663 HG21 ILE 90 HG21 ILE 90 7.232 14.768 6.779
664 HG22 ILE 90 HG22 ILE 90 6.760 16.376 7.328
665 HG23 ILE 90 HG23 ILE 90 6.494 15.909 5.649
666 HD11 ILE 90 HD11 ILE 90 3.963 15.076 4.455
667 HD12 ILE 90 HD12 ILE 90 4.282 13.393 4.042
668 HD13 ILE 90 HD13 ILE 90 5.627 14.504 4.296
Start of MODEL 17
1 H HIS 1 H1 HIS 1 -13.827 -19.845 -8.580
2 HA HIS 1 HA HIS 1 -11.873 -17.613 -8.737
3 HB2 HIS 1 HB2 HIS 1 -14.846 -17.600 -9.444
4 HB3 HIS 1 HB3 HIS 1 -13.715 -16.261 -9.627
5 HD1 HIS 1 HD1 HIS 1 -15.345 -18.687 -11.618
6 HD2 HIS 1 HD2 HIS 1 -11.461 -17.221 -11.524
7 HE1 HIS 1 HE1 HIS 1 -14.376 -19.198 -13.869
8 HE2 HIS 1 HE2 HIS 1 -11.982 -18.475 -13.714
9 H MET 2 H MET 2 -11.452 -17.281 -6.581
10 HA MET 2 HA MET 2 -13.584 -17.575 -4.559
11 HB2 MET 2 HB2 MET 2 -10.552 -17.385 -4.288
12 HB3 MET 2 HB3 MET 2 -11.662 -17.630 -2.944
13 HG2 MET 2 HG2 MET 2 -12.366 -19.792 -3.967
14 HG3 MET 2 HG3 MET 2 -11.186 -19.537 -5.252
15 HE1 MET 2 HE1 MET 2 -10.764 -18.708 -1.382
16 HE2 MET 2 HE2 MET 2 -10.016 -20.201 -0.819
17 HE3 MET 2 HE3 MET 2 -11.686 -20.212 -1.391
18 HA PRO 3 HA PRO 3 -13.803 -13.129 -3.368
19 HB2 PRO 3 HB2 PRO 3 -13.316 -14.194 -0.573
20 HB3 PRO 3 HB3 PRO 3 -14.527 -13.030 -1.137
21 HG2 PRO 3 HG2 PRO 3 -15.258 -15.535 -0.641
22 HG3 PRO 3 HG3 PRO 3 -15.885 -14.704 -2.083
23 HD2 PRO 3 HD2 PRO 3 -13.709 -16.782 -1.888
24 HD3 PRO 3 HD3 PRO 3 -14.978 -16.590 -3.118
25 H VAL 4 H VAL 4 -12.384 -11.426 -2.876
26 HA VAL 4 HA VAL 4 -9.525 -12.136 -2.653
27 HB VAL 4 HB VAL 4 -10.042 -10.808 -4.603
28 HG11 VAL 4 HG11 VAL 4 -11.217 -8.681 -2.778
29 HG12 VAL 4 HG12 VAL 4 -12.121 -9.718 -3.881
30 HG13 VAL 4 HG13 VAL 4 -10.983 -8.532 -4.523
31 HG21 VAL 4 HG21 VAL 4 -8.477 -8.914 -4.300
32 HG22 VAL 4 HG22 VAL 4 -7.869 -10.378 -3.525
33 HG23 VAL 4 HG23 VAL 4 -8.588 -9.097 -2.547
34 H HIS 5 H HIS 5 -8.491 -11.884 -0.785
35 HA HIS 5 HA HIS 5 -9.445 -9.938 1.233
36 HB2 HIS 5 HB2 HIS 5 -8.748 -12.862 1.596
37 HB3 HIS 5 HB3 HIS 5 -8.561 -11.742 2.942
38 HD1 HIS 5 HD1 HIS 5 -10.521 -11.731 4.419
39 HD2 HIS 5 HD2 HIS 5 -11.626 -12.504 0.487
40 HE1 HIS 5 HE1 HIS 5 -13.005 -12.007 4.461
41 HE2 HIS 5 HE2 HIS 5 -13.662 -12.229 2.051
42 H ILE 6 H ILE 6 -7.971 -8.617 2.112
43 HA ILE 6 HA ILE 6 -5.168 -8.757 1.396
44 HB ILE 6 HB ILE 6 -6.611 -6.868 3.315
45 HG12 ILE 6 HG12 ILE 6 -5.732 -6.461 0.412
46 HG13 ILE 6 HG13 ILE 6 -7.393 -6.669 0.958
47 HG21 ILE 6 HG21 ILE 6 -4.596 -5.423 3.153
48 HG22 ILE 6 HG22 ILE 6 -3.788 -6.649 2.174
49 HG23 ILE 6 HG23 ILE 6 -4.200 -6.992 3.856
50 HD11 ILE 6 HD11 ILE 6 -5.576 -4.346 1.589
51 HD12 ILE 6 HD12 ILE 6 -7.224 -4.549 2.194
52 HD13 ILE 6 HD13 ILE 6 -6.934 -4.365 0.466
53 H VAL 7 H VAL 7 -3.775 -10.016 2.422
54 HA VAL 7 HA VAL 7 -4.319 -11.209 5.012
55 HB VAL 7 HB VAL 7 -2.106 -12.395 4.637
56 HG11 VAL 7 HG11 VAL 7 -4.142 -12.643 2.383
57 HG12 VAL 7 HG12 VAL 7 -4.233 -13.436 3.957
58 HG13 VAL 7 HG13 VAL 7 -2.946 -13.865 2.831
59 HG21 VAL 7 HG21 VAL 7 -2.154 -10.993 1.921
60 HG22 VAL 7 HG22 VAL 7 -1.029 -12.267 2.404
61 HG23 VAL 7 HG23 VAL 7 -0.981 -10.699 3.211
62 H ASP 8 H ASP 8 -2.088 -8.778 3.696
63 HA ASP 8 HA ASP 8 -1.552 -7.644 6.300
64 HB2 ASP 8 HB2 ASP 8 0.074 -9.525 6.240
65 HB3 ASP 8 HB3 ASP 8 0.723 -8.924 4.714
66 HA PRO 9 HA PRO 9 -1.153 -5.775 7.127
67 HB2 PRO 9 HB2 PRO 9 -2.095 -3.018 6.810
68 HB3 PRO 9 HB3 PRO 9 -0.603 -3.588 7.561
69 HG2 PRO 9 HG2 PRO 9 -0.649 -2.179 5.208
70 HG3 PRO 9 HG3 PRO 9 0.628 -3.342 5.622
71 HD2 PRO 9 HD2 PRO 9 -1.810 -3.749 3.877
72 HD3 PRO 9 HD3 PRO 9 -0.116 -4.213 3.576
73 H ARG 10 H ARG 10 -2.958 -6.366 8.156
74 HA ARG 10 HA ARG 10 -5.592 -6.212 6.858
75 HB2 ARG 10 HB2 ARG 10 -4.419 -8.345 7.812
76 HB3 ARG 10 HB3 ARG 10 -4.852 -7.716 9.396
77 HG2 ARG 10 HG2 ARG 10 -7.246 -7.810 8.760
78 HG3 ARG 10 HG3 ARG 10 -6.785 -8.441 7.174
79 HD2 ARG 10 HD2 ARG 10 -5.716 -10.400 8.309
80 HD3 ARG 10 HD3 ARG 10 -6.295 -9.778 9.859
81 HE ARG 10 HE ARG 10 -8.475 -10.074 8.087
82 HH11 ARG 10 HH11 ARG 10 -6.287 -12.038 9.929
83 HH12 ARG 10 HH12 ARG 10 -7.410 -13.348 10.046
84 HH21 ARG 10 HH21 ARG 10 -9.868 -11.780 8.252
85 HH22 ARG 10 HH22 ARG 10 -9.392 -13.201 9.114
86 H GLU 11 H GLU 11 -4.010 -4.063 8.605
87 HA GLU 11 HA GLU 11 -6.242 -3.152 10.290
88 HB2 GLU 11 HB2 GLU 11 -4.757 -2.906 12.263
89 HB3 GLU 11 HB3 GLU 11 -4.913 -4.589 11.773
90 HG2 GLU 11 HG2 GLU 11 -2.702 -4.533 10.721
91 HG3 GLU 11 HG3 GLU 11 -2.545 -2.812 11.076
92 H HIS 12 H HIS 12 -5.020 -1.100 11.655
93 HA HIS 12 HA HIS 12 -4.576 0.918 9.585
94 HB2 HIS 12 HB2 HIS 12 -4.904 1.191 12.609
95 HB3 HIS 12 HB3 HIS 12 -4.835 2.534 11.474
96 HD1 HIS 12 HD1 HIS 12 -7.227 2.703 13.041
97 HD2 HIS 12 HD2 HIS 12 -7.118 0.154 9.766
98 HE1 HIS 12 HE1 HIS 12 -9.619 2.326 12.409
99 HE2 HIS 12 HE2 HIS 12 -9.533 0.687 10.509
100 H VAL 13 H VAL 13 -2.505 1.168 8.902
101 HA VAL 13 HA VAL 13 -0.215 0.949 10.754
102 HB VAL 13 HB VAL 13 -0.280 1.105 7.705
103 HG11 VAL 13 HG11 VAL 13 2.136 0.526 7.774
104 HG12 VAL 13 HG12 VAL 13 2.116 0.652 9.534
105 HG13 VAL 13 HG13 VAL 13 1.815 2.081 8.545
106 HG21 VAL 13 HG21 VAL 13 -1.176 -1.024 8.554
107 HG22 VAL 13 HG22 VAL 13 0.275 -1.270 9.530
108 HG23 VAL 13 HG23 VAL 13 0.382 -1.280 7.768
109 H PHE 14 H PHE 14 0.314 2.813 11.731
110 HA PHE 14 HA PHE 14 -0.164 5.433 10.496
111 HB2 PHE 14 HB2 PHE 14 0.902 4.772 13.282
112 HB3 PHE 14 HB3 PHE 14 0.363 6.351 12.715
113 HD1 PHE 14 HD2 PHE 14 -2.058 6.814 12.394
114 HD2 PHE 14 HD1 PHE 14 -0.723 3.045 13.913
115 HE1 PHE 14 HE2 PHE 14 -4.342 6.301 13.145
116 HE2 PHE 14 HE1 PHE 14 -3.017 2.537 14.652
117 HZ PHE 14 HZ PHE 14 -4.826 4.167 14.269
118 H VAL 15 H VAL 15 1.401 6.308 9.270
119 HA VAL 15 HA VAL 15 4.271 5.797 9.827
120 HB VAL 15 HB VAL 15 2.948 6.620 7.194
121 HG11 VAL 15 HG11 VAL 15 5.163 6.213 6.142
122 HG12 VAL 15 HG12 VAL 15 5.862 5.919 7.736
123 HG13 VAL 15 HG13 VAL 15 5.231 7.516 7.332
124 HG21 VAL 15 HG21 VAL 15 4.097 3.920 8.000
125 HG22 VAL 15 HG22 VAL 15 3.497 4.336 6.393
126 HG23 VAL 15 HG23 VAL 15 2.390 4.297 7.767
127 H HIS 16 H HIS 16 5.034 7.556 11.029
128 HA HIS 16 HA HIS 16 4.284 10.290 10.408
129 HB2 HIS 16 HB2 HIS 16 5.004 9.814 12.699
130 HB3 HIS 16 HB3 HIS 16 6.549 9.189 12.131
131 HD1 HIS 16 HD1 HIS 16 8.420 10.828 12.146
132 HD2 HIS 16 HD2 HIS 16 4.730 12.739 12.035
133 HE1 HIS 16 HE1 HIS 16 8.933 13.268 12.238
134 HE2 HIS 16 HE2 HIS 16 6.692 14.385 12.410
135 H ALA 17 H ALA 17 4.873 11.081 8.468
136 HA ALA 17 HA ALA 17 7.435 10.334 7.206
137 HB1 ALA 17 HB1 ALA 17 5.028 11.803 6.093
138 HB2 ALA 17 HB2 ALA 17 5.417 10.098 5.855
139 HB3 ALA 17 HB3 ALA 17 6.466 11.344 5.176
140 H ILE 18 H ILE 18 8.729 11.990 6.204
141 HA ILE 18 HA ILE 18 8.601 14.736 7.303
142 HB ILE 18 HB ILE 18 11.011 12.855 7.285
143 HG12 ILE 18 HG12 ILE 18 9.685 14.416 9.555
144 HG13 ILE 18 HG13 ILE 18 9.551 12.682 9.285
145 HG21 ILE 18 HG21 ILE 18 11.805 15.012 6.421
146 HG22 ILE 18 HG22 ILE 18 12.447 14.721 8.035
147 HG23 ILE 18 HG23 ILE 18 11.107 15.849 7.809
148 HD11 ILE 18 HD11 ILE 18 11.949 12.445 9.758
149 HD12 ILE 18 HD12 ILE 18 11.057 13.165 11.097
150 HD13 ILE 18 HD13 ILE 18 12.050 14.184 10.057
151 H THR 19 H THR 19 9.639 16.337 5.894
152 HA THR 19 HA THR 19 9.273 15.802 3.073
153 HB THR 19 HB THR 19 9.758 18.232 2.762
154 HG1 THR 19 HG1 THR 19 10.309 19.507 4.503
155 HG21 THR 19 HG21 THR 19 7.855 19.136 4.047
156 HG22 THR 19 HG22 THR 19 7.850 17.700 5.071
157 HG23 THR 19 HG23 THR 19 7.452 17.556 3.359
158 H SER 20 H SER 20 11.274 14.137 3.648
159 HA SER 20 HA SER 20 13.596 14.986 2.171
160 HB2 SER 20 HB2 SER 20 14.246 15.970 4.317
161 HB3 SER 20 HB3 SER 20 13.864 14.475 5.171
162 HG SER 20 HG SER 20 15.707 13.632 4.551
163 H GLU 21 H GLU 21 12.420 12.586 4.555
164 HA GLU 21 HA GLU 21 13.845 10.351 3.429
165 HB2 GLU 21 HB2 GLU 21 11.695 10.603 5.566
166 HB3 GLU 21 HB3 GLU 21 12.257 9.029 5.031
167 HG2 GLU 21 HG2 GLU 21 13.363 9.686 7.100
168 HG3 GLU 21 HG3 GLU 21 14.521 9.533 5.786
169 H CYS 22 H CYS 22 12.725 8.330 2.737
170 HA CYS 22 HA CYS 22 10.594 8.871 0.775
171 HB2 CYS 22 HB2 CYS 22 11.215 6.669 -0.176
172 HB3 CYS 22 HB3 CYS 22 12.620 7.719 -0.037
173 HG CYS 22 HG CYS 22 13.923 5.653 0.833
174 H VAL 23 H VAL 23 8.513 8.104 1.013
175 HA VAL 23 HA VAL 23 7.900 6.286 3.280
176 HB VAL 23 HB VAL 23 6.013 7.962 1.550
177 HG11 VAL 23 HG11 VAL 23 4.230 7.362 3.169
178 HG12 VAL 23 HG12 VAL 23 5.345 6.276 4.003
179 HG13 VAL 23 HG13 VAL 23 4.856 5.933 2.344
180 HG21 VAL 23 HG21 VAL 23 5.718 9.358 3.563
181 HG22 VAL 23 HG22 VAL 23 7.408 9.330 3.057
182 HG23 VAL 23 HG23 VAL 23 6.887 8.364 4.438
183 H MET 24 H MET 24 8.156 4.193 2.664
184 HA MET 24 HA MET 24 7.016 3.286 0.083
185 HB2 MET 24 HB2 MET 24 9.434 2.750 0.493
186 HB3 MET 24 HB3 MET 24 8.972 1.803 1.901
187 HG2 MET 24 HG2 MET 24 7.781 0.211 0.499
188 HG3 MET 24 HG3 MET 24 8.061 1.208 -0.932
189 HE1 MET 24 HE1 MET 24 8.806 -1.901 -0.929
190 HE2 MET 24 HE2 MET 24 10.415 -1.870 -1.648
191 HE3 MET 24 HE3 MET 24 9.142 -0.841 -2.302
192 H LEU 25 H LEU 25 4.877 3.267 0.738
193 HA LEU 25 HA LEU 25 3.882 1.544 2.843
194 HB2 LEU 25 HB2 LEU 25 2.398 2.732 0.459
195 HB3 LEU 25 HB3 LEU 25 1.666 2.054 1.908
196 HG LEU 25 HG LEU 25 3.332 4.602 1.786
197 HD11 LEU 25 HD11 LEU 25 0.345 4.261 2.200
198 HD12 LEU 25 HD12 LEU 25 1.132 4.888 0.749
199 HD13 LEU 25 HD13 LEU 25 1.238 5.786 2.260
200 HD21 LEU 25 HD21 LEU 25 3.646 3.482 3.948
201 HD22 LEU 25 HD22 LEU 25 1.899 3.370 4.171
202 HD23 LEU 25 HD23 LEU 25 2.688 4.948 4.141
203 H ALA 26 H ALA 26 2.939 -0.539 2.531
204 HA ALA 26 HA ALA 26 3.007 -1.774 -0.140
205 HB1 ALA 26 HB1 ALA 26 4.258 -3.742 0.659
206 HB2 ALA 26 HB2 ALA 26 4.442 -2.996 2.249
207 HB3 ALA 26 HB3 ALA 26 5.221 -2.273 0.842
208 H CYS 27 H CYS 27 1.400 -3.207 -0.461
209 HA CYS 27 HA CYS 27 -0.109 -4.363 1.780
210 HB2 CYS 27 HB2 CYS 27 -1.352 -2.333 1.063
211 HB3 CYS 27 HB3 CYS 27 -1.436 -2.964 -0.581
212 HG CYS 27 HG CYS 27 -2.941 -4.282 2.196
213 H GLU 28 H GLU 28 -0.903 -6.401 1.378
214 HA GLU 28 HA GLU 28 -0.398 -7.632 -1.261
215 HB2 GLU 28 HB2 GLU 28 1.457 -8.168 0.364
216 HB3 GLU 28 HB3 GLU 28 0.270 -8.933 1.417
217 HG2 GLU 28 HG2 GLU 28 -0.288 -10.452 -0.596
218 HG3 GLU 28 HG3 GLU 28 1.183 -9.823 -1.336
219 H VAL 29 H VAL 29 -2.102 -8.716 -2.006
220 HA VAL 29 HA VAL 29 -4.310 -9.538 -0.234
221 HB VAL 29 HB VAL 29 -5.588 -9.962 -2.321
222 HG11 VAL 29 HG11 VAL 29 -5.809 -7.628 -3.099
223 HG12 VAL 29 HG12 VAL 29 -4.282 -7.212 -2.319
224 HG13 VAL 29 HG13 VAL 29 -5.666 -7.699 -1.340
225 HG21 VAL 29 HG21 VAL 29 -3.745 -10.665 -3.801
226 HG22 VAL 29 HG22 VAL 29 -3.094 -9.025 -3.801
227 HG23 VAL 29 HG23 VAL 29 -4.663 -9.351 -4.542
228 H ASP 30 H ASP 30 -5.275 -11.702 -0.710
229 HA ASP 30 HA ASP 30 -3.274 -13.819 -0.833
230 HB2 ASP 30 HB2 ASP 30 -4.926 -13.770 1.000
231 HB3 ASP 30 HB3 ASP 30 -6.242 -13.816 -0.156
232 H ARG 31 H ARG 31 -5.815 -12.414 -2.795
233 HA ARG 31 HA ARG 31 -5.855 -14.646 -4.728
234 HB2 ARG 31 HB2 ARG 31 -8.041 -13.787 -3.965
235 HB3 ARG 31 HB3 ARG 31 -7.608 -12.159 -4.476
236 HG2 ARG 31 HG2 ARG 31 -7.561 -12.935 -6.842
237 HG3 ARG 31 HG3 ARG 31 -8.026 -14.552 -6.306
238 HD2 ARG 31 HD2 ARG 31 -10.138 -13.606 -5.380
239 HD3 ARG 31 HD3 ARG 31 -9.664 -12.015 -5.989
240 HE ARG 31 HE ARG 31 -9.703 -13.972 -8.070
241 HH11 ARG 31 HH11 ARG 31 -11.820 -11.948 -6.210
242 HH12 ARG 31 HH12 ARG 31 -13.051 -11.963 -7.418
243 HH21 ARG 31 HH21 ARG 31 -11.313 -13.982 -9.574
244 HH22 ARG 31 HH22 ARG 31 -12.775 -13.104 -9.290
245 H GLU 32 H GLU 32 -4.130 -14.467 -6.100
246 HA GLU 32 HA GLU 32 -2.711 -12.181 -6.874
247 HB2 GLU 32 HB2 GLU 32 -1.742 -13.585 -8.673
248 HB3 GLU 32 HB3 GLU 32 -1.789 -14.436 -7.133
249 HG2 GLU 32 HG2 GLU 32 -3.665 -15.783 -7.833
250 HG3 GLU 32 HG3 GLU 32 -3.902 -14.811 -9.282
251 H ASP 33 H ASP 33 -5.634 -13.527 -8.218
252 HA ASP 33 HA ASP 33 -5.691 -12.325 -10.769
253 HB2 ASP 33 HB2 ASP 33 -8.116 -13.063 -9.073
254 HB3 ASP 33 HB3 ASP 33 -8.019 -12.998 -10.833
255 H ALA 34 H ALA 34 -6.397 -11.022 -7.609
256 HA ALA 34 HA ALA 34 -7.389 -8.482 -8.753
257 HB1 ALA 34 HB1 ALA 34 -9.187 -8.395 -7.067
258 HB2 ALA 34 HB2 ALA 34 -8.715 -9.987 -6.464
259 HB3 ALA 34 HB3 ALA 34 -9.364 -9.816 -8.098
260 HA PRO 35 HA PRO 35 -4.325 -7.312 -5.420
261 HB2 PRO 35 HB2 PRO 35 -3.032 -5.369 -6.807
262 HB3 PRO 35 HB3 PRO 35 -2.635 -7.081 -7.031
263 HG2 PRO 35 HG2 PRO 35 -4.405 -5.306 -8.722
264 HG3 PRO 35 HG3 PRO 35 -3.130 -6.431 -9.243
265 HD2 PRO 35 HD2 PRO 35 -5.794 -7.088 -9.283
266 HD3 PRO 35 HD3 PRO 35 -4.513 -8.296 -9.031
267 H VAL 36 H VAL 36 -3.896 -4.765 -4.780
268 HA VAL 36 HA VAL 36 -6.581 -3.746 -4.202
269 HB VAL 36 HB VAL 36 -5.608 -2.350 -2.519
270 HG11 VAL 36 HG11 VAL 36 -5.725 -4.724 -1.911
271 HG12 VAL 36 HG12 VAL 36 -4.359 -3.940 -1.113
272 HG13 VAL 36 HG13 VAL 36 -4.083 -4.975 -2.517
273 HG21 VAL 36 HG21 VAL 36 -2.856 -2.908 -3.689
274 HG22 VAL 36 HG22 VAL 36 -3.154 -2.037 -2.188
275 HG23 VAL 36 HG23 VAL 36 -3.711 -1.368 -3.722
276 H ARG 37 H ARG 37 -7.255 -1.542 -4.528
277 HA ARG 37 HA ARG 37 -5.780 0.087 -6.493
278 HB2 ARG 37 HB2 ARG 37 -8.587 0.183 -5.367
279 HB3 ARG 37 HB3 ARG 37 -7.876 1.682 -5.929
280 HG2 ARG 37 HG2 ARG 37 -9.109 0.989 -7.761
281 HG3 ARG 37 HG3 ARG 37 -7.489 0.440 -8.172
282 HD2 ARG 37 HD2 ARG 37 -9.624 -1.342 -6.960
283 HD3 ARG 37 HD3 ARG 37 -9.359 -1.186 -8.693
284 HE ARG 37 HE ARG 37 -7.736 -2.629 -6.766
285 HH11 ARG 37 HH11 ARG 37 -7.771 -1.343 -9.977
286 HH12 ARG 37 HH12 ARG 37 -6.686 -2.546 -10.570
287 HH21 ARG 37 HH21 ARG 37 -6.339 -4.125 -7.565
288 HH22 ARG 37 HH22 ARG 37 -5.881 -4.086 -9.229
289 H TRP 38 H TRP 38 -4.447 1.688 -5.785
290 HA TRP 38 HA TRP 38 -4.262 2.336 -2.941
291 HB2 TRP 38 HB2 TRP 38 -2.592 3.190 -5.357
292 HB3 TRP 38 HB3 TRP 38 -2.316 3.809 -3.735
293 HD1 TRP 38 HD1 TRP 38 -1.769 0.673 -5.864
294 HE1 TRP 38 HE1 TRP 38 -0.211 -0.912 -4.576
295 HE3 TRP 38 HE3 TRP 38 -1.660 3.098 -1.361
296 HZ2 TRP 38 HZ2 TRP 38 0.900 -1.138 -1.990
297 HZ3 TRP 38 HZ3 TRP 38 -0.332 2.134 0.474
298 HH2 TRP 38 HH2 TRP 38 0.927 0.056 0.163
299 H TYR 39 H TYR 39 -5.423 3.940 -2.084
300 HA TYR 39 HA TYR 39 -6.294 6.278 -3.705
301 HB2 TYR 39 HB2 TYR 39 -7.556 5.053 -1.203
302 HB3 TYR 39 HB3 TYR 39 -8.083 6.565 -1.938
303 HD1 TYR 39 HD2 TYR 39 -9.262 6.564 -4.122
304 HD2 TYR 39 HD1 TYR 39 -8.130 2.893 -2.243
305 HE1 TYR 39 HE2 TYR 39 -10.762 5.333 -5.620
306 HE2 TYR 39 HE1 TYR 39 -9.637 1.673 -3.756
307 HH TYR 39 HH TYR 39 -11.621 2.087 -5.102
308 H LYS 40 H LYS 40 -5.837 8.333 -2.902
309 HA LYS 40 HA LYS 40 -3.861 8.477 -0.713
310 HB2 LYS 40 HB2 LYS 40 -3.311 9.487 -2.922
311 HB3 LYS 40 HB3 LYS 40 -4.676 10.588 -2.748
312 HG2 LYS 40 HG2 LYS 40 -3.607 11.571 -0.733
313 HG3 LYS 40 HG3 LYS 40 -2.235 10.480 -0.944
314 HD2 LYS 40 HD2 LYS 40 -1.721 11.536 -3.116
315 HD3 LYS 40 HD3 LYS 40 -3.118 12.604 -2.937
316 HE2 LYS 40 HE2 LYS 40 -0.674 12.535 -1.144
317 HE3 LYS 40 HE3 LYS 40 -1.048 13.769 -2.347
318 HZ1 LYS 40 HZ1 LYS 40 -2.584 13.183 0.126
319 HZ2 LYS 40 HZ2 LYS 40 -3.070 14.284 -1.061
320 HZ3 LYS 40 HZ3 LYS 40 -1.646 14.553 -0.191
321 H ASP 41 H ASP 41 -7.067 9.604 -1.557
322 HA ASP 41 HA ASP 41 -7.656 10.467 1.157
323 HB2 ASP 41 HB2 ASP 41 -6.630 12.496 0.108
324 HB3 ASP 41 HB3 ASP 41 -7.806 12.425 -1.196
325 H GLY 42 H GLY 42 -9.086 11.109 -2.073
326 HA2 GLY 42 HA2 GLY 42 -11.395 9.343 -1.480
327 HA3 GLY 42 HA3 GLY 42 -11.660 11.010 -1.976
328 H GLN 43 H GLN 43 -8.928 9.943 -3.509
329 HA GLN 43 HA GLN 43 -10.164 8.447 -5.691
330 HB2 GLN 43 HB2 GLN 43 -10.321 10.992 -6.208
331 HB3 GLN 43 HB3 GLN 43 -8.565 10.977 -6.333
332 HG2 GLN 43 HG2 GLN 43 -8.686 9.395 -8.203
333 HG3 GLN 43 HG3 GLN 43 -10.437 9.294 -8.039
334 HE21 GLN 43 HE21 GLN 43 -11.692 11.125 -8.627
335 HE22 GLN 43 HE22 GLN 43 -11.079 12.318 -9.712
336 H GLU 44 H GLU 44 -8.388 7.671 -7.235
337 HA GLU 44 HA GLU 44 -6.409 6.271 -5.837
338 HB2 GLU 44 HB2 GLU 44 -7.369 5.553 -8.007
339 HB3 GLU 44 HB3 GLU 44 -6.541 6.875 -8.822
340 HG2 GLU 44 HG2 GLU 44 -4.368 5.885 -8.360
341 HG3 GLU 44 HG3 GLU 44 -5.100 4.653 -7.333
342 H VAL 45 H VAL 45 -4.111 6.472 -5.722
343 HA VAL 45 HA VAL 45 -3.189 9.081 -5.129
344 HB VAL 45 HB VAL 45 -1.359 6.678 -5.567
345 HG11 VAL 45 HG11 VAL 45 -0.169 8.824 -5.253
346 HG12 VAL 45 HG12 VAL 45 0.098 7.760 -3.874
347 HG13 VAL 45 HG13 VAL 45 -1.039 9.105 -3.742
348 HG21 VAL 45 HG21 VAL 45 -3.186 5.991 -4.079
349 HG22 VAL 45 HG22 VAL 45 -2.893 7.384 -3.038
350 HG23 VAL 45 HG23 VAL 45 -1.674 6.117 -3.180
351 H GLU 46 H GLU 46 -2.964 7.190 -8.041
352 HA GLU 46 HA GLU 46 -2.305 7.547 -10.168
353 HB2 GLU 46 HB2 GLU 46 -1.994 10.466 -9.343
354 HB3 GLU 46 HB3 GLU 46 -2.050 9.880 -11.005
355 HG2 GLU 46 HG2 GLU 46 -4.368 9.232 -10.777
356 HG3 GLU 46 HG3 GLU 46 -4.333 9.511 -9.039
357 H GLU 47 H GLU 47 -0.406 7.070 -11.200
358 HA GLU 47 HA GLU 47 2.115 7.263 -9.803
359 HB2 GLU 47 HB2 GLU 47 1.754 6.446 -12.727
360 HB3 GLU 47 HB3 GLU 47 3.129 6.110 -11.690
361 HG2 GLU 47 HG2 GLU 47 2.008 4.060 -11.819
362 HG3 GLU 47 HG3 GLU 47 1.513 4.713 -10.259
363 H SER 48 H SER 48 2.332 9.508 -9.526
364 HA SER 48 HA SER 48 2.465 11.296 -11.862
365 HB2 SER 48 HB2 SER 48 1.072 11.891 -9.842
366 HB3 SER 48 HB3 SER 48 2.551 11.992 -8.892
367 HG SER 48 HG SER 48 1.434 13.861 -10.417
368 H ASP 49 H ASP 49 4.222 13.265 -11.110
369 HA ASP 49 HA ASP 49 6.724 12.272 -11.918
370 HB2 ASP 49 HB2 ASP 49 6.129 14.926 -10.539
371 HB3 ASP 49 HB3 ASP 49 7.564 14.557 -11.498
372 H PHE 50 H PHE 50 5.445 12.654 -8.675
373 HA PHE 50 HA PHE 50 8.038 11.814 -7.484
374 HB2 PHE 50 HB2 PHE 50 5.792 13.465 -6.235
375 HB3 PHE 50 HB3 PHE 50 7.174 12.843 -5.340
376 HD1 PHE 50 HD2 PHE 50 6.156 15.239 -8.002
377 HD2 PHE 50 HD1 PHE 50 9.329 13.943 -5.442
378 HE1 PHE 50 HE2 PHE 50 7.455 17.245 -8.597
379 HE2 PHE 50 HE1 PHE 50 10.618 15.950 -6.046
380 HZ PHE 50 HZ PHE 50 9.691 17.599 -7.620
381 H VAL 51 H VAL 51 5.165 10.465 -8.384
382 HA VAL 51 HA VAL 51 5.106 8.566 -6.082
383 HB VAL 51 HB VAL 51 2.736 9.165 -7.919
384 HG11 VAL 51 HG11 VAL 51 1.404 7.917 -6.250
385 HG12 VAL 51 HG12 VAL 51 2.860 7.601 -5.305
386 HG13 VAL 51 HG13 VAL 51 2.689 6.909 -6.920
387 HG21 VAL 51 HG21 VAL 51 3.174 10.229 -5.103
388 HG22 VAL 51 HG22 VAL 51 1.704 10.418 -6.061
389 HG23 VAL 51 HG23 VAL 51 3.205 11.179 -6.589
390 H VAL 52 H VAL 52 5.836 6.545 -6.655
391 HA VAL 52 HA VAL 52 5.063 5.486 -9.325
392 HB VAL 52 HB VAL 52 7.050 3.959 -9.255
393 HG11 VAL 52 HG11 VAL 52 7.770 6.916 -9.164
394 HG12 VAL 52 HG12 VAL 52 7.155 6.044 -10.568
395 HG13 VAL 52 HG13 VAL 52 8.742 5.643 -9.910
396 HG21 VAL 52 HG21 VAL 52 8.944 4.415 -7.715
397 HG22 VAL 52 HG22 VAL 52 7.498 3.919 -6.833
398 HG23 VAL 52 HG23 VAL 52 7.964 5.619 -6.870
399 H LEU 53 H LEU 53 3.465 4.095 -9.130
400 HA LEU 53 HA LEU 53 3.107 2.395 -6.749
401 HB2 LEU 53 HB2 LEU 53 1.289 2.818 -9.164
402 HB3 LEU 53 HB3 LEU 53 0.904 1.810 -7.777
403 HG LEU 53 HG LEU 53 1.210 4.846 -7.767
404 HD11 LEU 53 HD11 LEU 53 -1.187 4.871 -7.175
405 HD12 LEU 53 HD12 LEU 53 -1.251 3.113 -7.343
406 HD13 LEU 53 HD13 LEU 53 -0.910 4.126 -8.747
407 HD21 LEU 53 HD21 LEU 53 0.641 2.979 -5.438
408 HD22 LEU 53 HD22 LEU 53 0.519 4.741 -5.387
409 HD23 LEU 53 HD23 LEU 53 2.080 3.977 -5.668
410 H GLU 54 H GLU 54 4.246 0.537 -6.823
411 HA GLU 54 HA GLU 54 4.721 -0.864 -9.388
412 HB2 GLU 54 HB2 GLU 54 6.142 -1.157 -6.708
413 HB3 GLU 54 HB3 GLU 54 6.587 -1.987 -8.199
414 HG2 GLU 54 HG2 GLU 54 7.112 0.197 -9.248
415 HG3 GLU 54 HG3 GLU 54 6.669 1.024 -7.754
416 H ASN 55 H ASN 55 4.351 -3.093 -9.594
417 HA ASN 55 HA ASN 55 2.768 -4.479 -7.513
418 HB2 ASN 55 HB2 ASN 55 1.187 -3.501 -9.189
419 HB3 ASN 55 HB3 ASN 55 2.026 -4.352 -10.481
420 HD21 ASN 55 HD21 ASN 55 1.739 -6.625 -10.657
421 HD22 ASN 55 HD22 ASN 55 0.471 -7.458 -9.829
422 H GLU 56 H GLU 56 3.013 -6.706 -7.454
423 HA GLU 56 HA GLU 56 4.238 -8.158 -9.665
424 HB2 GLU 56 HB2 GLU 56 6.169 -7.651 -8.207
425 HB3 GLU 56 HB3 GLU 56 5.334 -8.323 -6.816
426 HG2 GLU 56 HG2 GLU 56 7.087 -9.822 -7.778
427 HG3 GLU 56 HG3 GLU 56 5.485 -10.558 -7.703
428 H GLY 57 H GLY 57 2.160 -8.943 -10.015
429 HA2 GLY 57 HA2 GLY 57 0.307 -10.261 -9.839
430 HA3 GLY 57 HA3 GLY 57 1.259 -11.280 -8.774
431 HA PRO 58 HA PRO 58 -1.753 -9.882 -5.649
432 HB2 PRO 58 HB2 PRO 58 -0.439 -11.371 -3.546
433 HB3 PRO 58 HB3 PRO 58 -1.871 -11.831 -4.465
434 HG2 PRO 58 HG2 PRO 58 0.648 -13.075 -4.614
435 HG3 PRO 58 HG3 PRO 58 -0.691 -13.290 -5.752
436 HD2 PRO 58 HD2 PRO 58 1.776 -11.626 -6.016
437 HD3 PRO 58 HD3 PRO 58 0.816 -12.434 -7.274
438 H HIS 59 H HIS 59 1.615 -9.231 -5.623
439 HA HIS 59 HA HIS 59 1.673 -7.766 -3.091
440 HB2 HIS 59 HB2 HIS 59 3.863 -8.145 -5.184
441 HB3 HIS 59 HB3 HIS 59 4.079 -7.434 -3.584
442 HD1 HIS 59 HD1 HIS 59 4.177 -9.052 -1.576
443 HD2 HIS 59 HD2 HIS 59 3.615 -10.969 -5.216
444 HE1 HIS 59 HE1 HIS 59 4.598 -11.475 -1.131
445 HE2 HIS 59 HE2 HIS 59 4.464 -12.563 -3.376
446 H ARG 60 H ARG 60 1.652 -5.616 -2.877
447 HA ARG 60 HA ARG 60 1.794 -3.791 -5.210
448 HB2 ARG 60 HB2 ARG 60 -0.318 -3.879 -3.016
449 HB3 ARG 60 HB3 ARG 60 -0.012 -2.411 -3.932
450 HG2 ARG 60 HG2 ARG 60 -0.820 -5.028 -5.233
451 HG3 ARG 60 HG3 ARG 60 -1.980 -3.824 -4.679
452 HD2 ARG 60 HD2 ARG 60 -0.383 -2.226 -6.205
453 HD3 ARG 60 HD3 ARG 60 -0.169 -3.763 -7.054
454 HE ARG 60 HE ARG 60 -2.903 -2.906 -6.473
455 HH11 ARG 60 HH11 ARG 60 -0.512 -3.391 -8.903
456 HH12 ARG 60 HH12 ARG 60 -1.582 -2.960 -10.187
457 HH21 ARG 60 HH21 ARG 60 -4.245 -2.362 -8.126
458 HH22 ARG 60 HH22 ARG 60 -3.665 -2.393 -9.753
459 H ARG 61 H ARG 61 2.787 -1.805 -4.757
460 HA ARG 61 HA ARG 61 3.408 -1.009 -2.039
461 HB2 ARG 61 HB2 ARG 61 5.933 -0.779 -2.621
462 HB3 ARG 61 HB3 ARG 61 5.316 -2.362 -2.166
463 HG2 ARG 61 HG2 ARG 61 5.335 -3.125 -4.449
464 HG3 ARG 61 HG3 ARG 61 5.698 -1.502 -5.051
465 HD2 ARG 61 HD2 ARG 61 7.900 -1.566 -3.994
466 HD3 ARG 61 HD3 ARG 61 7.543 -3.134 -3.268
467 HE ARG 61 HE ARG 61 7.299 -3.820 -5.777
468 HH11 ARG 61 HH11 ARG 61 9.661 -1.617 -4.550
469 HH12 ARG 61 HH12 ARG 61 10.855 -2.102 -5.692
470 HH21 ARG 61 HH21 ARG 61 8.858 -4.436 -7.216
471 HH22 ARG 61 HH22 ARG 61 10.411 -3.680 -7.177
472 H LEU 62 H LEU 62 3.196 1.078 -1.874
473 HA LEU 62 HA LEU 62 3.507 2.942 -4.117
474 HB2 LEU 62 HB2 LEU 62 1.514 2.986 -2.571
475 HB3 LEU 62 HB3 LEU 62 2.574 3.429 -1.251
476 HG LEU 62 HG LEU 62 2.274 5.189 -3.726
477 HD11 LEU 62 HD11 LEU 62 0.602 5.339 -1.199
478 HD12 LEU 62 HD12 LEU 62 0.038 4.837 -2.795
479 HD13 LEU 62 HD13 LEU 62 0.577 6.493 -2.537
480 HD21 LEU 62 HD21 LEU 62 2.964 7.028 -2.232
481 HD22 LEU 62 HD22 LEU 62 4.195 5.772 -2.306
482 HD23 LEU 62 HD23 LEU 62 3.145 5.887 -0.892
483 H VAL 63 H VAL 63 5.631 3.549 -4.433
484 HA VAL 63 HA VAL 63 7.307 4.143 -2.058
485 HB VAL 63 HB VAL 63 8.254 3.764 -4.937
486 HG11 VAL 63 HG11 VAL 63 10.520 3.587 -3.919
487 HG12 VAL 63 HG12 VAL 63 9.829 3.955 -2.335
488 HG13 VAL 63 HG13 VAL 63 9.783 5.161 -3.623
489 HG21 VAL 63 HG21 VAL 63 8.338 1.756 -2.644
490 HG22 VAL 63 HG22 VAL 63 9.081 1.536 -4.231
491 HG23 VAL 63 HG23 VAL 63 7.327 1.643 -4.087
492 H LEU 64 H LEU 64 7.274 6.209 -1.510
493 HA LEU 64 HA LEU 64 7.087 8.389 -3.500
494 HB2 LEU 64 HB2 LEU 64 5.646 8.036 -1.157
495 HB3 LEU 64 HB3 LEU 64 6.959 9.021 -0.560
496 HG LEU 64 HG LEU 64 5.172 10.517 -1.052
497 HD11 LEU 64 HD11 LEU 64 6.023 12.020 -2.759
498 HD12 LEU 64 HD12 LEU 64 7.049 10.739 -3.420
499 HD13 LEU 64 HD13 LEU 64 7.349 11.366 -1.799
500 HD21 LEU 64 HD21 LEU 64 4.898 9.256 -3.795
501 HD22 LEU 64 HD22 LEU 64 3.949 10.607 -3.166
502 HD23 LEU 64 HD23 LEU 64 3.812 9.015 -2.424
503 HA PRO 65 HA PRO 65 11.673 8.069 -2.700
504 HB2 PRO 65 HB2 PRO 65 12.391 9.891 -4.707
505 HB3 PRO 65 HB3 PRO 65 12.130 8.159 -4.958
506 HG2 PRO 65 HG2 PRO 65 10.202 10.445 -5.379
507 HG3 PRO 65 HG3 PRO 65 10.544 9.064 -6.444
508 HD2 PRO 65 HD2 PRO 65 8.362 9.056 -4.913
509 HD3 PRO 65 HD3 PRO 65 9.315 7.564 -5.089
510 H ALA 66 H ALA 66 10.595 11.391 -3.607
511 HA ALA 66 HA ALA 66 11.790 12.455 -1.103
512 HB1 ALA 66 HB1 ALA 66 11.934 14.630 -2.273
513 HB2 ALA 66 HB2 ALA 66 11.225 13.910 -3.723
514 HB3 ALA 66 HB3 ALA 66 12.810 13.381 -3.157
515 H THR 67 H THR 67 10.024 12.155 0.282
516 HA THR 67 HA THR 67 7.318 12.593 -0.427
517 HB THR 67 HB THR 67 8.384 12.686 2.433
518 HG1 THR 67 HG1 THR 67 8.949 10.675 2.050
519 HG21 THR 67 HG21 THR 67 5.678 11.819 1.331
520 HG22 THR 67 HG22 THR 67 5.994 13.338 2.170
521 HG23 THR 67 HG23 THR 67 6.161 11.808 3.030
522 H GLN 68 H GLN 68 6.250 14.422 -0.716
523 HA GLN 68 HA GLN 68 7.284 16.996 0.291
524 HB2 GLN 68 HB2 GLN 68 5.108 16.455 -1.772
525 HB3 GLN 68 HB3 GLN 68 5.854 18.009 -1.420
526 HG2 GLN 68 HG2 GLN 68 8.012 17.154 -2.284
527 HG3 GLN 68 HG3 GLN 68 7.249 15.608 -2.653
528 HE21 GLN 68 HE21 GLN 68 5.670 15.544 -4.345
529 HE22 GLN 68 HE22 GLN 68 5.647 16.751 -5.577
530 HA PRO 69 HA PRO 69 4.260 17.545 3.505
531 HB2 PRO 69 HB2 PRO 69 3.087 20.040 2.963
532 HB3 PRO 69 HB3 PRO 69 4.638 19.794 3.776
533 HG2 PRO 69 HG2 PRO 69 4.096 20.382 0.867
534 HG3 PRO 69 HG3 PRO 69 5.330 21.080 1.940
535 HD2 PRO 69 HD2 PRO 69 5.993 19.189 0.183
536 HD3 PRO 69 HD3 PRO 69 6.692 19.159 1.821
537 H SER 70 H SER 70 2.744 18.531 0.376
538 HA SER 70 HA SER 70 0.110 17.623 1.290
539 HB2 SER 70 HB2 SER 70 0.941 18.908 -1.342
540 HB3 SER 70 HB3 SER 70 -0.718 18.562 -0.859
541 HG SER 70 HG SER 70 0.071 20.768 -0.453
542 H ASP 71 H ASP 71 2.747 16.038 -0.080
543 HA ASP 71 HA ASP 71 1.230 14.118 -1.685
544 HB2 ASP 71 HB2 ASP 71 4.167 14.298 -0.912
545 HB3 ASP 71 HB3 ASP 71 3.506 12.887 -1.742
546 H GLY 72 H GLY 72 1.639 14.553 1.593
547 HA2 GLY 72 HA2 GLY 72 1.421 11.725 2.375
548 HA3 GLY 72 HA3 GLY 72 1.474 13.115 3.449
549 H GLY 73 H GLY 73 -0.330 11.553 4.315
550 HA2 GLY 73 HA2 GLY 73 -2.625 12.619 4.829
551 HA3 GLY 73 HA3 GLY 73 -2.978 12.237 3.148
552 H GLU 74 H GLU 74 -4.766 10.935 3.984
553 HA GLU 74 HA GLU 74 -4.015 8.441 5.384
554 HB2 GLU 74 HB2 GLU 74 -6.706 9.794 4.980
555 HB3 GLU 74 HB3 GLU 74 -6.536 8.177 5.666
556 HG2 GLU 74 HG2 GLU 74 -5.244 9.065 7.548
557 HG3 GLU 74 HG3 GLU 74 -5.282 10.684 6.841
558 H PHE 75 H PHE 75 -3.340 7.020 3.936
559 HA PHE 75 HA PHE 75 -4.522 6.724 1.294
560 HB2 PHE 75 HB2 PHE 75 -2.134 5.364 2.620
561 HB3 PHE 75 HB3 PHE 75 -2.637 5.081 0.956
562 HD1 PHE 75 HD2 PHE 75 -1.342 7.722 3.276
563 HD2 PHE 75 HD1 PHE 75 -1.944 6.560 -0.794
564 HE1 PHE 75 HE2 PHE 75 0.052 9.605 2.525
565 HE2 PHE 75 HE1 PHE 75 -0.550 8.448 -1.531
566 HZ PHE 75 HZ PHE 75 0.451 9.970 0.124
567 H GLN 76 H GLN 76 -5.430 4.779 0.512
568 HA GLN 76 HA GLN 76 -6.148 2.666 2.443
569 HB2 GLN 76 HB2 GLN 76 -8.033 4.293 2.384
570 HB3 GLN 76 HB3 GLN 76 -8.159 4.085 0.639
571 HG2 GLN 76 HG2 GLN 76 -8.687 1.653 1.030
572 HG3 GLN 76 HG3 GLN 76 -8.694 1.979 2.764
573 HE21 GLN 76 HE21 GLN 76 -10.866 1.393 2.978
574 HE22 GLN 76 HE22 GLN 76 -12.155 2.356 2.359
575 H CYS 77 H CYS 77 -5.926 0.691 1.610
576 HA CYS 77 HA CYS 77 -5.580 0.294 -1.301
577 HB2 CYS 77 HB2 CYS 77 -4.693 -1.342 1.106
578 HB3 CYS 77 HB3 CYS 77 -4.481 -1.860 -0.567
579 HG CYS 77 HG CYS 77 -3.279 1.145 -0.338
580 H VAL 78 H VAL 78 -7.693 -0.072 -2.089
581 HA VAL 78 HA VAL 78 -9.465 -1.925 -0.625
582 HB VAL 78 HB VAL 78 -10.092 -0.298 -3.131
583 HG11 VAL 78 HG11 VAL 78 -11.957 -1.870 -1.295
584 HG12 VAL 78 HG12 VAL 78 -11.543 -2.281 -2.960
585 HG13 VAL 78 HG13 VAL 78 -12.476 -0.824 -2.621
586 HG21 VAL 78 HG21 VAL 78 -9.640 1.173 -1.212
587 HG22 VAL 78 HG22 VAL 78 -10.796 0.277 -0.222
588 HG23 VAL 78 HG23 VAL 78 -11.357 1.204 -1.617
589 H ALA 79 H ALA 79 -9.007 -4.004 -1.000
590 HA ALA 79 HA ALA 79 -8.135 -5.110 -3.530
591 HB1 ALA 79 HB1 ALA 79 -8.264 -7.262 -2.361
592 HB2 ALA 79 HB2 ALA 79 -9.093 -6.495 -1.003
593 HB3 ALA 79 HB3 ALA 79 -7.422 -6.067 -1.378
594 H GLY 80 H GLY 80 -11.154 -4.926 -1.715
595 HA2 GLY 80 HA2 GLY 80 -12.958 -5.058 -3.828
596 HA3 GLY 80 HA3 GLY 80 -12.727 -6.723 -3.291
597 H ASP 81 H ASP 81 -13.720 -7.410 -1.418
598 HA ASP 81 HA ASP 81 -15.473 -5.677 0.084
599 HB2 ASP 81 HB2 ASP 81 -15.884 -7.676 1.494
600 HB3 ASP 81 HB3 ASP 81 -16.043 -8.056 -0.215
601 H GLU 82 H GLU 82 -12.186 -6.742 0.322
602 HA GLU 82 HA GLU 82 -11.766 -5.771 3.061
603 HB2 GLU 82 HB2 GLU 82 -10.013 -7.266 1.074
604 HB3 GLU 82 HB3 GLU 82 -9.417 -6.702 2.634
605 HG2 GLU 82 HG2 GLU 82 -11.832 -8.517 2.424
606 HG3 GLU 82 HG3 GLU 82 -10.196 -9.156 2.420
607 H CYS 83 H CYS 83 -10.417 -4.081 3.603
608 HA CYS 83 HA CYS 83 -8.895 -2.625 1.587
609 HB2 CYS 83 HB2 CYS 83 -9.906 -0.423 2.177
610 HB3 CYS 83 HB3 CYS 83 -11.070 -1.511 1.432
611 HG CYS 83 HG CYS 83 -10.927 -1.284 4.822
612 H ALA 84 H ALA 84 -6.981 -2.036 2.400
613 HA ALA 84 HA ALA 84 -6.431 -2.107 5.284
614 HB1 ALA 84 HB1 ALA 84 -4.536 -1.838 2.914
615 HB2 ALA 84 HB2 ALA 84 -4.928 -3.341 3.753
616 HB3 ALA 84 HB3 ALA 84 -4.059 -2.061 4.602
617 H TYR 85 H TYR 85 -5.150 -0.325 6.271
618 HA TYR 85 HA TYR 85 -5.687 2.337 5.058
619 HB2 TYR 85 HB2 TYR 85 -6.167 1.540 7.967
620 HB3 TYR 85 HB3 TYR 85 -6.296 3.180 7.339
621 HD1 TYR 85 HD2 TYR 85 -8.031 3.591 5.423
622 HD2 TYR 85 HD1 TYR 85 -8.089 0.112 7.914
623 HE1 TYR 85 HE2 TYR 85 -10.379 3.190 4.816
624 HE2 TYR 85 HE1 TYR 85 -10.434 -0.285 7.291
625 HH TYR 85 HH TYR 85 -12.371 1.031 6.477
626 H PHE 86 H PHE 86 -4.121 3.824 5.252
627 HA PHE 86 HA PHE 86 -1.787 3.417 7.018
628 HB2 PHE 86 HB2 PHE 86 -1.638 4.431 4.130
629 HB3 PHE 86 HB3 PHE 86 -0.281 4.236 5.232
630 HD1 PHE 86 HD1 PHE 86 -2.676 2.468 3.036
631 HD2 PHE 86 HD2 PHE 86 0.704 2.023 5.624
632 HE1 PHE 86 HE1 PHE 86 -2.280 0.210 2.150
633 HE2 PHE 86 HE2 PHE 86 1.091 -0.233 4.722
634 HZ PHE 86 HZ PHE 86 -0.402 -1.141 2.985
635 H THR 87 H THR 87 -2.033 5.146 8.469
636 HA THR 87 HA THR 87 -2.895 7.779 7.454
637 HB THR 87 HB THR 87 -2.297 6.883 10.310
638 HG1 THR 87 HG1 THR 87 -4.851 7.668 9.481
639 HG21 THR 87 HG21 THR 87 -3.352 9.018 11.019
640 HG22 THR 87 HG22 THR 87 -3.466 9.522 9.335
641 HG23 THR 87 HG23 THR 87 -1.881 9.316 10.083
642 H VAL 88 H VAL 88 -1.224 8.613 6.304
643 HA VAL 88 HA VAL 88 1.512 8.696 7.396
644 HB VAL 88 HB VAL 88 0.466 9.422 4.616
645 HG11 VAL 88 HG11 VAL 88 3.348 9.296 5.593
646 HG12 VAL 88 HG12 VAL 88 2.468 10.751 5.112
647 HG13 VAL 88 HG13 VAL 88 2.849 9.514 3.913
648 HG21 VAL 88 HG21 VAL 88 0.323 7.002 5.061
649 HG22 VAL 88 HG22 VAL 88 2.027 6.965 5.521
650 HG23 VAL 88 HG23 VAL 88 1.570 7.339 3.858
651 H THR 89 H THR 89 1.629 10.350 8.839
652 HA THR 89 HA THR 89 0.512 13.017 8.146
653 HB THR 89 HB THR 89 1.433 12.044 10.896
654 HG1 THR 89 HG1 THR 89 -1.120 12.034 9.637
655 HG21 THR 89 HG21 THR 89 -0.226 14.478 10.091
656 HG22 THR 89 HG22 THR 89 1.438 14.522 10.678
657 HG23 THR 89 HG23 THR 89 0.143 13.992 11.749
658 H ILE 90 H ILE 90 1.944 14.476 7.395
659 HA ILE 90 HA ILE 90 4.778 14.013 7.358
660 HB ILE 90 HB ILE 90 3.330 16.593 6.600
661 HG12 ILE 90 HG12 ILE 90 2.384 14.717 5.299
662 HG13 ILE 90 HG13 ILE 90 3.335 15.757 4.259
663 HG21 ILE 90 HG21 ILE 90 6.079 15.561 5.782
664 HG22 ILE 90 HG22 ILE 90 5.744 16.921 6.853
665 HG23 ILE 90 HG23 ILE 90 5.305 17.019 5.150
666 HD11 ILE 90 HD11 ILE 90 3.672 13.475 3.676
667 HD12 ILE 90 HD12 ILE 90 4.144 13.073 5.325
668 HD13 ILE 90 HD13 ILE 90 5.167 14.127 4.344
Start of MODEL 18
1 H HIS 1 H1 HIS 1 -13.190 -20.781 -8.366
2 HA HIS 1 HA HIS 1 -12.464 -17.933 -8.712
3 HB2 HIS 1 HB2 HIS 1 -15.087 -19.377 -9.290
4 HB3 HIS 1 HB3 HIS 1 -14.878 -17.630 -9.350
5 HD1 HIS 1 HD1 HIS 1 -13.568 -16.661 -11.362
6 HD2 HIS 1 HD2 HIS 1 -14.092 -20.777 -11.535
7 HE1 HIS 1 HE1 HIS 1 -12.960 -17.314 -13.696
8 HE2 HIS 1 HE2 HIS 1 -13.428 -19.779 -13.825
9 H MET 2 H MET 2 -11.872 -17.792 -6.504
10 HA MET 2 HA MET 2 -14.077 -17.938 -4.517
11 HB2 MET 2 HB2 MET 2 -11.053 -17.964 -4.049
12 HB3 MET 2 HB3 MET 2 -12.279 -18.055 -2.788
13 HG2 MET 2 HG2 MET 2 -13.062 -20.206 -3.757
14 HG3 MET 2 HG3 MET 2 -11.756 -20.116 -4.942
15 HE1 MET 2 HE1 MET 2 -10.675 -22.441 -4.318
16 HE2 MET 2 HE2 MET 2 -12.027 -22.724 -3.220
17 HE3 MET 2 HE3 MET 2 -10.374 -22.961 -2.659
18 HA PRO 3 HA PRO 3 -13.775 -13.403 -4.095
19 HB2 PRO 3 HB2 PRO 3 -14.288 -12.980 -1.436
20 HB3 PRO 3 HB3 PRO 3 -15.542 -13.482 -2.579
21 HG2 PRO 3 HG2 PRO 3 -13.925 -15.181 -0.674
22 HG3 PRO 3 HG3 PRO 3 -15.681 -15.187 -0.956
23 HD2 PRO 3 HD2 PRO 3 -14.056 -17.023 -2.111
24 HD3 PRO 3 HD3 PRO 3 -15.484 -16.388 -2.959
25 H VAL 4 H VAL 4 -12.599 -11.644 -2.682
26 HA VAL 4 HA VAL 4 -9.781 -12.522 -2.373
27 HB VAL 4 HB VAL 4 -10.176 -10.783 -4.075
28 HG11 VAL 4 HG11 VAL 4 -10.848 -8.487 -3.489
29 HG12 VAL 4 HG12 VAL 4 -11.132 -8.988 -1.820
30 HG13 VAL 4 HG13 VAL 4 -12.122 -9.652 -3.120
31 HG21 VAL 4 HG21 VAL 4 -8.427 -9.167 -3.403
32 HG22 VAL 4 HG22 VAL 4 -7.979 -10.815 -2.962
33 HG23 VAL 4 HG23 VAL 4 -8.566 -9.704 -1.724
34 H HIS 5 H HIS 5 -8.537 -11.937 -0.588
35 HA HIS 5 HA HIS 5 -9.639 -10.251 1.503
36 HB2 HIS 5 HB2 HIS 5 -10.357 -12.571 2.137
37 HB3 HIS 5 HB3 HIS 5 -8.667 -13.063 2.173
38 HD1 HIS 5 HD1 HIS 5 -7.503 -12.792 4.361
39 HD2 HIS 5 HD2 HIS 5 -10.938 -10.455 4.154
40 HE1 HIS 5 HE1 HIS 5 -7.773 -11.786 6.637
41 HE2 HIS 5 HE2 HIS 5 -9.789 -10.306 6.465
42 H ILE 6 H ILE 6 -8.120 -9.002 2.442
43 HA ILE 6 HA ILE 6 -5.394 -9.021 1.495
44 HB ILE 6 HB ILE 6 -6.574 -7.293 3.728
45 HG12 ILE 6 HG12 ILE 6 -6.409 -6.641 0.744
46 HG13 ILE 6 HG13 ILE 6 -7.885 -7.115 1.579
47 HG21 ILE 6 HG21 ILE 6 -4.133 -6.836 1.951
48 HG22 ILE 6 HG22 ILE 6 -4.100 -7.267 3.661
49 HG23 ILE 6 HG23 ILE 6 -4.747 -5.706 3.161
50 HD11 ILE 6 HD11 ILE 6 -6.273 -4.624 2.123
51 HD12 ILE 6 HD12 ILE 6 -7.768 -5.096 2.939
52 HD13 ILE 6 HD13 ILE 6 -7.781 -4.726 1.217
53 H VAL 7 H VAL 7 -3.684 -9.989 2.420
54 HA VAL 7 HA VAL 7 -3.986 -11.378 4.989
55 HB VAL 7 HB VAL 7 -1.850 -12.522 4.402
56 HG11 VAL 7 HG11 VAL 7 -3.979 -12.678 2.234
57 HG12 VAL 7 HG12 VAL 7 -4.000 -13.535 3.777
58 HG13 VAL 7 HG13 VAL 7 -2.762 -13.912 2.578
59 HG21 VAL 7 HG21 VAL 7 -1.993 -10.983 1.771
60 HG22 VAL 7 HG22 VAL 7 -0.855 -12.281 2.147
61 HG23 VAL 7 HG23 VAL 7 -0.779 -10.759 3.035
62 H ASP 8 H ASP 8 -2.110 -8.736 3.555
63 HA ASP 8 HA ASP 8 -1.378 -7.752 6.181
64 HB2 ASP 8 HB2 ASP 8 0.452 -9.422 5.553
65 HB3 ASP 8 HB3 ASP 8 0.884 -8.356 4.220
66 HA PRO 9 HA PRO 9 -1.313 -5.998 7.150
67 HB2 PRO 9 HB2 PRO 9 -2.340 -3.589 7.745
68 HB3 PRO 9 HB3 PRO 9 -0.659 -3.753 7.217
69 HG2 PRO 9 HG2 PRO 9 -3.072 -2.903 5.626
70 HG3 PRO 9 HG3 PRO 9 -1.444 -2.194 5.656
71 HD2 PRO 9 HD2 PRO 9 -2.344 -3.987 3.724
72 HD3 PRO 9 HD3 PRO 9 -0.632 -3.719 4.115
73 H ARG 10 H ARG 10 -3.033 -6.294 8.650
74 HA ARG 10 HA ARG 10 -5.503 -7.280 7.631
75 HB2 ARG 10 HB2 ARG 10 -4.577 -6.666 10.462
76 HB3 ARG 10 HB3 ARG 10 -6.128 -7.417 10.106
77 HG2 ARG 10 HG2 ARG 10 -3.418 -8.591 9.398
78 HG3 ARG 10 HG3 ARG 10 -4.402 -9.054 10.790
79 HD2 ARG 10 HD2 ARG 10 -6.216 -9.754 9.219
80 HD3 ARG 10 HD3 ARG 10 -5.145 -9.380 7.861
81 HE ARG 10 HE ARG 10 -3.614 -11.090 9.144
82 HH11 ARG 10 HH11 ARG 10 -7.028 -11.387 8.553
83 HH12 ARG 10 HH12 ARG 10 -6.957 -13.113 8.571
84 HH21 ARG 10 HH21 ARG 10 -3.588 -13.269 9.168
85 HH22 ARG 10 HH22 ARG 10 -5.043 -14.158 8.901
86 H GLU 11 H GLU 11 -4.770 -4.361 9.589
87 HA GLU 11 HA GLU 11 -7.413 -3.228 8.866
88 HB2 GLU 11 HB2 GLU 11 -7.050 -2.161 11.379
89 HB3 GLU 11 HB3 GLU 11 -8.012 -3.580 11.023
90 HG2 GLU 11 HG2 GLU 11 -6.719 -4.183 12.890
91 HG3 GLU 11 HG3 GLU 11 -5.943 -4.982 11.529
92 H HIS 12 H HIS 12 -4.635 -1.811 10.693
93 HA HIS 12 HA HIS 12 -4.416 0.335 8.728
94 HB2 HIS 12 HB2 HIS 12 -4.755 2.096 10.514
95 HB3 HIS 12 HB3 HIS 12 -6.209 1.194 10.096
96 HD1 HIS 12 HD1 HIS 12 -3.491 1.052 12.773
97 HD2 HIS 12 HD2 HIS 12 -7.538 0.278 12.291
98 HE1 HIS 12 HE1 HIS 12 -4.340 0.512 15.064
99 HE2 HIS 12 HE2 HIS 12 -6.735 -0.159 14.707
100 H VAL 13 H VAL 13 -2.418 1.276 8.671
101 HA VAL 13 HA VAL 13 -0.438 0.583 10.776
102 HB VAL 13 HB VAL 13 -0.009 0.547 7.755
103 HG11 VAL 13 HG11 VAL 13 2.354 -0.082 8.220
104 HG12 VAL 13 HG12 VAL 13 2.089 0.217 9.940
105 HG13 VAL 13 HG13 VAL 13 1.978 1.547 8.787
106 HG21 VAL 13 HG21 VAL 13 -1.102 -1.485 8.672
107 HG22 VAL 13 HG22 VAL 13 0.221 -1.689 9.822
108 HG23 VAL 13 HG23 VAL 13 0.527 -1.848 8.090
109 H PHE 14 H PHE 14 0.431 2.293 11.706
110 HA PHE 14 HA PHE 14 0.149 4.992 10.609
111 HB2 PHE 14 HB2 PHE 14 -0.444 4.516 12.999
112 HB3 PHE 14 HB3 PHE 14 1.228 4.072 13.315
113 HD1 PHE 14 HD1 PHE 14 -0.819 6.924 12.000
114 HD2 PHE 14 HD2 PHE 14 2.690 5.761 14.148
115 HE1 PHE 14 HE1 PHE 14 -0.340 9.279 12.494
116 HE2 PHE 14 HE2 PHE 14 3.155 8.129 14.643
117 HZ PHE 14 HZ PHE 14 1.645 9.886 13.814
118 H VAL 15 H VAL 15 1.820 6.212 9.861
119 HA VAL 15 HA VAL 15 4.616 5.251 9.986
120 HB VAL 15 HB VAL 15 3.187 6.216 7.456
121 HG11 VAL 15 HG11 VAL 15 6.088 5.344 7.774
122 HG12 VAL 15 HG12 VAL 15 5.522 6.982 7.440
123 HG13 VAL 15 HG13 VAL 15 5.289 5.711 6.240
124 HG21 VAL 15 HG21 VAL 15 3.584 3.924 6.586
125 HG22 VAL 15 HG22 VAL 15 2.549 3.913 8.010
126 HG23 VAL 15 HG23 VAL 15 4.245 3.446 8.150
127 H HIS 16 H HIS 16 6.141 6.868 10.206
128 HA HIS 16 HA HIS 16 5.272 9.691 10.372
129 HB2 HIS 16 HB2 HIS 16 7.862 8.343 11.263
130 HB3 HIS 16 HB3 HIS 16 7.509 10.061 11.449
131 HD1 HIS 16 HD1 HIS 16 6.881 6.745 12.976
132 HD2 HIS 16 HD2 HIS 16 5.521 10.647 13.422
133 HE1 HIS 16 HE1 HIS 16 5.678 6.788 15.169
134 HE2 HIS 16 HE2 HIS 16 5.002 9.187 15.491
135 H ALA 17 H ALA 17 6.100 11.264 8.993
136 HA ALA 17 HA ALA 17 8.252 10.625 7.109
137 HB1 ALA 17 HB1 ALA 17 6.947 11.263 5.134
138 HB2 ALA 17 HB2 ALA 17 5.510 11.489 6.138
139 HB3 ALA 17 HB3 ALA 17 6.210 9.883 5.952
140 H ILE 18 H ILE 18 8.998 12.421 5.933
141 HA ILE 18 HA ILE 18 8.356 15.175 6.735
142 HB ILE 18 HB ILE 18 11.178 13.955 6.892
143 HG12 ILE 18 HG12 ILE 18 9.503 15.140 9.160
144 HG13 ILE 18 HG13 ILE 18 9.752 13.422 8.884
145 HG21 ILE 18 HG21 ILE 18 11.324 16.248 6.016
146 HG22 ILE 18 HG22 ILE 18 12.010 16.157 7.637
147 HG23 ILE 18 HG23 ILE 18 10.407 16.854 7.398
148 HD11 ILE 18 HD11 ILE 18 11.143 14.217 10.680
149 HD12 ILE 18 HD12 ILE 18 11.874 15.428 9.629
150 HD13 ILE 18 HD13 ILE 18 12.148 13.711 9.322
151 H THR 19 H THR 19 9.325 16.713 5.021
152 HA THR 19 HA THR 19 9.136 15.918 2.343
153 HB THR 19 HB THR 19 10.409 18.018 1.757
154 HG1 THR 19 HG1 THR 19 11.669 18.881 3.213
155 HG21 THR 19 HG21 THR 19 8.820 19.625 2.743
156 HG22 THR 19 HG22 THR 19 8.307 18.416 3.920
157 HG23 THR 19 HG23 THR 19 7.977 18.169 2.204
158 H SER 20 H SER 20 11.869 15.674 4.496
159 HA SER 20 HA SER 20 13.899 15.068 2.534
160 HB2 SER 20 HB2 SER 20 14.451 16.127 4.705
161 HB3 SER 20 HB3 SER 20 13.879 14.700 5.565
162 HG SER 20 HG SER 20 15.660 13.655 5.051
163 H GLU 21 H GLU 21 11.388 13.172 3.887
164 HA GLU 21 HA GLU 21 12.880 10.651 3.991
165 HB2 GLU 21 HB2 GLU 21 9.997 11.248 4.767
166 HB3 GLU 21 HB3 GLU 21 10.810 9.698 4.997
167 HG2 GLU 21 HG2 GLU 21 11.468 12.333 6.343
168 HG3 GLU 21 HG3 GLU 21 10.755 10.906 7.088
169 H CYS 22 H CYS 22 12.059 8.722 3.072
170 HA CYS 22 HA CYS 22 10.388 8.963 0.635
171 HB2 CYS 22 HB2 CYS 22 11.739 7.065 -0.293
172 HB3 CYS 22 HB3 CYS 22 12.708 8.504 -0.006
173 HG CYS 22 HG CYS 22 12.883 6.699 2.693
174 H VAL 23 H VAL 23 8.441 8.078 1.103
175 HA VAL 23 HA VAL 23 8.208 5.919 3.107
176 HB VAL 23 HB VAL 23 6.076 7.751 1.917
177 HG11 VAL 23 HG11 VAL 23 5.047 5.583 2.466
178 HG12 VAL 23 HG12 VAL 23 4.516 6.814 3.611
179 HG13 VAL 23 HG13 VAL 23 5.742 5.636 4.088
180 HG21 VAL 23 HG21 VAL 23 7.619 8.893 3.453
181 HG22 VAL 23 HG22 VAL 23 7.313 7.678 4.698
182 HG23 VAL 23 HG23 VAL 23 6.015 8.756 4.176
183 H MET 24 H MET 24 7.999 3.890 2.453
184 HA MET 24 HA MET 24 6.893 3.260 -0.238
185 HB2 MET 24 HB2 MET 24 9.409 2.919 0.091
186 HB3 MET 24 HB3 MET 24 9.032 1.687 1.285
187 HG2 MET 24 HG2 MET 24 7.971 0.318 -0.444
188 HG3 MET 24 HG3 MET 24 8.255 1.586 -1.644
189 HE1 MET 24 HE1 MET 24 10.980 -0.909 -2.894
190 HE2 MET 24 HE2 MET 24 9.622 0.126 -3.337
191 HE3 MET 24 HE3 MET 24 9.351 -1.321 -2.366
192 H LEU 25 H LEU 25 4.800 2.976 0.532
193 HA LEU 25 HA LEU 25 4.156 1.136 2.714
194 HB2 LEU 25 HB2 LEU 25 2.375 2.734 0.832
195 HB3 LEU 25 HB3 LEU 25 1.785 1.763 2.177
196 HG LEU 25 HG LEU 25 3.561 4.224 2.414
197 HD11 LEU 25 HD11 LEU 25 1.604 5.304 3.429
198 HD12 LEU 25 HD12 LEU 25 0.634 3.862 3.119
199 HD13 LEU 25 HD13 LEU 25 1.274 4.804 1.771
200 HD21 LEU 25 HD21 LEU 25 4.076 2.617 4.188
201 HD22 LEU 25 HD22 LEU 25 2.364 2.478 4.599
202 HD23 LEU 25 HD23 LEU 25 3.216 4.004 4.850
203 H ALA 26 H ALA 26 2.757 -0.734 2.429
204 HA ALA 26 HA ALA 26 2.553 -1.840 -0.300
205 HB1 ALA 26 HB1 ALA 26 3.766 -3.366 2.029
206 HB2 ALA 26 HB2 ALA 26 4.654 -2.717 0.650
207 HB3 ALA 26 HB3 ALA 26 3.470 -4.002 0.407
208 H CYS 27 H CYS 27 0.747 -2.974 -0.685
209 HA CYS 27 HA CYS 27 -0.897 -4.048 1.526
210 HB2 CYS 27 HB2 CYS 27 -2.033 -2.043 0.641
211 HB3 CYS 27 HB3 CYS 27 -1.952 -2.690 -0.995
212 HG CYS 27 HG CYS 27 -4.504 -3.187 -0.535
213 H GLU 28 H GLU 28 -1.177 -6.174 1.315
214 HA GLU 28 HA GLU 28 -0.590 -7.503 -1.264
215 HB2 GLU 28 HB2 GLU 28 1.370 -7.597 0.275
216 HB3 GLU 28 HB3 GLU 28 0.368 -8.369 1.502
217 HG2 GLU 28 HG2 GLU 28 0.002 -10.283 -0.077
218 HG3 GLU 28 HG3 GLU 28 1.116 -9.517 -1.211
219 H VAL 29 H VAL 29 -2.094 -8.900 -1.866
220 HA VAL 29 HA VAL 29 -3.980 -10.092 0.097
221 HB VAL 29 HB VAL 29 -5.511 -10.480 -1.870
222 HG11 VAL 29 HG11 VAL 29 -5.864 -8.532 -0.412
223 HG12 VAL 29 HG12 VAL 29 -6.297 -8.143 -2.075
224 HG13 VAL 29 HG13 VAL 29 -4.771 -7.564 -1.403
225 HG21 VAL 29 HG21 VAL 29 -5.113 -9.287 -4.014
226 HG22 VAL 29 HG22 VAL 29 -3.834 -10.460 -3.697
227 HG23 VAL 29 HG23 VAL 29 -3.537 -8.742 -3.426
228 H ASP 30 H ASP 30 -4.609 -12.341 -0.323
229 HA ASP 30 HA ASP 30 -2.471 -14.001 -1.445
230 HB2 ASP 30 HB2 ASP 30 -3.612 -14.493 0.780
231 HB3 ASP 30 HB3 ASP 30 -5.076 -14.884 -0.115
232 H ARG 31 H ARG 31 -5.198 -12.460 -2.660
233 HA ARG 31 HA ARG 31 -5.818 -14.557 -4.667
234 HB2 ARG 31 HB2 ARG 31 -7.526 -13.746 -2.769
235 HB3 ARG 31 HB3 ARG 31 -7.789 -12.399 -3.854
236 HG2 ARG 31 HG2 ARG 31 -8.194 -15.309 -4.625
237 HG3 ARG 31 HG3 ARG 31 -9.467 -14.273 -3.985
238 HD2 ARG 31 HD2 ARG 31 -9.092 -12.731 -5.925
239 HD3 ARG 31 HD3 ARG 31 -7.974 -13.919 -6.604
240 HE ARG 31 HE ARG 31 -10.881 -14.105 -6.419
241 HH11 ARG 31 HH11 ARG 31 -7.977 -15.839 -7.170
242 HH12 ARG 31 HH12 ARG 31 -8.814 -16.998 -8.134
243 HH21 ARG 31 HH21 ARG 31 -11.903 -15.616 -7.621
244 HH22 ARG 31 HH22 ARG 31 -10.991 -16.873 -8.385
245 H GLU 32 H GLU 32 -4.289 -13.831 -6.158
246 HA GLU 32 HA GLU 32 -3.634 -11.206 -6.913
247 HB2 GLU 32 HB2 GLU 32 -2.079 -12.908 -7.470
248 HB3 GLU 32 HB3 GLU 32 -3.300 -13.916 -8.224
249 HG2 GLU 32 HG2 GLU 32 -1.744 -13.039 -9.882
250 HG3 GLU 32 HG3 GLU 32 -3.373 -12.436 -10.171
251 H ASP 33 H ASP 33 -5.980 -13.458 -8.355
252 HA ASP 33 HA ASP 33 -6.834 -12.212 -10.633
253 HB2 ASP 33 HB2 ASP 33 -7.559 -14.429 -9.863
254 HB3 ASP 33 HB3 ASP 33 -8.481 -13.706 -8.563
255 H ALA 34 H ALA 34 -7.555 -11.181 -7.353
256 HA ALA 34 HA ALA 34 -9.057 -8.817 -8.344
257 HB1 ALA 34 HB1 ALA 34 -9.028 -10.073 -5.575
258 HB2 ALA 34 HB2 ALA 34 -10.328 -10.206 -6.763
259 HB3 ALA 34 HB3 ALA 34 -9.952 -8.637 -6.049
260 HA PRO 35 HA PRO 35 -4.898 -7.109 -7.040
261 HB2 PRO 35 HB2 PRO 35 -4.698 -5.169 -8.938
262 HB3 PRO 35 HB3 PRO 35 -4.355 -6.865 -9.304
263 HG2 PRO 35 HG2 PRO 35 -6.876 -5.289 -9.825
264 HG3 PRO 35 HG3 PRO 35 -5.999 -6.385 -10.916
265 HD2 PRO 35 HD2 PRO 35 -8.212 -7.170 -9.507
266 HD3 PRO 35 HD3 PRO 35 -6.904 -8.293 -9.940
267 H VAL 36 H VAL 36 -4.411 -5.236 -5.798
268 HA VAL 36 HA VAL 36 -6.722 -3.796 -4.753
269 HB VAL 36 HB VAL 36 -5.410 -3.113 -2.914
270 HG11 VAL 36 HG11 VAL 36 -5.776 -5.545 -2.885
271 HG12 VAL 36 HG12 VAL 36 -4.258 -5.135 -2.088
272 HG13 VAL 36 HG13 VAL 36 -4.243 -5.805 -3.724
273 HG21 VAL 36 HG21 VAL 36 -2.902 -3.634 -4.542
274 HG22 VAL 36 HG22 VAL 36 -2.911 -3.185 -2.836
275 HG23 VAL 36 HG23 VAL 36 -3.532 -2.065 -4.047
276 H ARG 37 H ARG 37 -6.732 -1.461 -4.463
277 HA ARG 37 HA ARG 37 -5.265 0.124 -6.501
278 HB2 ARG 37 HB2 ARG 37 -8.235 0.263 -5.822
279 HB3 ARG 37 HB3 ARG 37 -7.397 1.479 -6.787
280 HG2 ARG 37 HG2 ARG 37 -6.938 -0.135 -8.535
281 HG3 ARG 37 HG3 ARG 37 -7.565 -1.454 -7.543
282 HD2 ARG 37 HD2 ARG 37 -9.236 0.895 -8.509
283 HD3 ARG 37 HD3 ARG 37 -9.148 -0.671 -9.328
284 HE ARG 37 HE ARG 37 -9.874 -1.482 -6.928
285 HH11 ARG 37 HH11 ARG 37 -11.129 1.263 -8.624
286 HH12 ARG 37 HH12 ARG 37 -12.707 1.059 -7.954
287 HH21 ARG 37 HH21 ARG 37 -11.890 -1.703 -6.109
288 HH22 ARG 37 HH22 ARG 37 -13.131 -0.590 -6.560
289 H TRP 38 H TRP 38 -4.291 1.889 -5.675
290 HA TRP 38 HA TRP 38 -4.605 2.583 -2.852
291 HB2 TRP 38 HB2 TRP 38 -2.647 3.509 -5.001
292 HB3 TRP 38 HB3 TRP 38 -2.626 4.110 -3.345
293 HD1 TRP 38 HD1 TRP 38 -1.775 0.946 -5.390
294 HE1 TRP 38 HE1 TRP 38 -0.340 -0.603 -3.913
295 HE3 TRP 38 HE3 TRP 38 -2.146 3.468 -0.949
296 HZ2 TRP 38 HZ2 TRP 38 0.512 -0.745 -1.232
297 HZ3 TRP 38 HZ3 TRP 38 -0.993 2.558 1.024
298 HH2 TRP 38 HH2 TRP 38 0.313 0.494 0.883
299 H TYR 39 H TYR 39 -5.329 4.534 -2.085
300 HA TYR 39 HA TYR 39 -6.247 6.666 -3.920
301 HB2 TYR 39 HB2 TYR 39 -7.893 5.461 -1.636
302 HB3 TYR 39 HB3 TYR 39 -8.331 6.932 -2.503
303 HD1 TYR 39 HD2 TYR 39 -9.032 6.805 -4.901
304 HD2 TYR 39 HD1 TYR 39 -8.286 3.261 -2.631
305 HE1 TYR 39 HE2 TYR 39 -10.166 5.464 -6.614
306 HE2 TYR 39 HE1 TYR 39 -9.414 1.929 -4.356
307 HH TYR 39 HH TYR 39 -10.179 3.149 -7.419
308 H LYS 40 H LYS 40 -5.863 8.728 -3.147
309 HA LYS 40 HA LYS 40 -5.345 9.325 -0.369
310 HB2 LYS 40 HB2 LYS 40 -3.194 8.204 -1.226
311 HB3 LYS 40 HB3 LYS 40 -2.961 9.602 -2.260
312 HG2 LYS 40 HG2 LYS 40 -3.281 10.024 0.715
313 HG3 LYS 40 HG3 LYS 40 -1.753 9.389 0.110
314 HD2 LYS 40 HD2 LYS 40 -3.020 11.979 -0.853
315 HD3 LYS 40 HD3 LYS 40 -1.803 11.887 0.422
316 HE2 LYS 40 HE2 LYS 40 -0.140 11.082 -1.116
317 HE3 LYS 40 HE3 LYS 40 -1.339 10.838 -2.395
318 HZ1 LYS 40 HZ1 LYS 40 -0.662 13.473 -1.231
319 HZ2 LYS 40 HZ2 LYS 40 -1.648 13.182 -2.563
320 HZ3 LYS 40 HZ3 LYS 40 0.007 12.866 -2.655
321 H ASP 41 H ASP 41 -5.594 11.506 0.048
322 HA ASP 41 HA ASP 41 -6.543 13.545 -0.168
323 HB2 ASP 41 HB2 ASP 41 -5.179 13.602 -2.889
324 HB3 ASP 41 HB3 ASP 41 -5.934 14.997 -2.125
325 H GLY 42 H GLY 42 -7.976 11.102 -1.214
326 HA2 GLY 42 HA2 GLY 42 -10.107 10.679 -2.042
327 HA3 GLY 42 HA3 GLY 42 -10.259 12.373 -2.476
328 H GLN 43 H GLN 43 -7.395 11.393 -3.804
329 HA GLN 43 HA GLN 43 -8.531 11.100 -6.491
330 HB2 GLN 43 HB2 GLN 43 -5.615 11.392 -5.624
331 HB3 GLN 43 HB3 GLN 43 -6.216 11.467 -7.281
332 HG2 GLN 43 HG2 GLN 43 -7.518 13.506 -6.672
333 HG3 GLN 43 HG3 GLN 43 -6.808 13.448 -5.059
334 HE21 GLN 43 HE21 GLN 43 -6.611 15.555 -7.091
335 HE22 GLN 43 HE22 GLN 43 -4.926 15.772 -7.388
336 H GLU 44 H GLU 44 -7.776 9.428 -7.954
337 HA GLU 44 HA GLU 44 -7.800 6.813 -6.811
338 HB2 GLU 44 HB2 GLU 44 -7.749 6.005 -9.131
339 HB3 GLU 44 HB3 GLU 44 -8.929 7.294 -8.931
340 HG2 GLU 44 HG2 GLU 44 -7.428 8.900 -10.003
341 HG3 GLU 44 HG3 GLU 44 -6.154 7.683 -10.102
342 H VAL 45 H VAL 45 -5.182 8.893 -7.259
343 HA VAL 45 HA VAL 45 -2.946 8.733 -7.203
344 HB VAL 45 HB VAL 45 -3.483 5.906 -6.207
345 HG11 VAL 45 HG11 VAL 45 -0.818 7.381 -6.215
346 HG12 VAL 45 HG12 VAL 45 -1.218 5.952 -7.168
347 HG13 VAL 45 HG13 VAL 45 -1.135 5.839 -5.413
348 HG21 VAL 45 HG21 VAL 45 -2.957 6.854 -3.982
349 HG22 VAL 45 HG22 VAL 45 -4.315 7.696 -4.726
350 HG23 VAL 45 HG23 VAL 45 -2.717 8.448 -4.707
351 H GLU 46 H GLU 46 -2.302 9.043 -9.231
352 HA GLU 46 HA GLU 46 -1.849 6.712 -11.018
353 HB2 GLU 46 HB2 GLU 46 -1.951 8.333 -12.912
354 HB3 GLU 46 HB3 GLU 46 -3.459 8.253 -12.006
355 HG2 GLU 46 HG2 GLU 46 -2.783 10.350 -10.798
356 HG3 GLU 46 HG3 GLU 46 -1.367 10.450 -11.841
357 H GLU 47 H GLU 47 0.130 6.744 -12.267
358 HA GLU 47 HA GLU 47 2.381 7.504 -10.638
359 HB2 GLU 47 HB2 GLU 47 2.273 6.072 -13.315
360 HB3 GLU 47 HB3 GLU 47 3.732 6.276 -12.342
361 HG2 GLU 47 HG2 GLU 47 2.561 5.022 -10.479
362 HG3 GLU 47 HG3 GLU 47 1.241 4.697 -11.602
363 H SER 48 H SER 48 3.406 9.327 -10.744
364 HA SER 48 HA SER 48 3.867 10.826 -13.215
365 HB2 SER 48 HB2 SER 48 1.736 11.685 -12.137
366 HB3 SER 48 HB3 SER 48 2.668 12.089 -10.696
367 HG SER 48 HG SER 48 2.911 13.932 -11.704
368 H ASP 49 H ASP 49 4.991 13.104 -11.749
369 HA ASP 49 HA ASP 49 7.660 12.368 -11.483
370 HB2 ASP 49 HB2 ASP 49 6.247 14.770 -10.244
371 HB3 ASP 49 HB3 ASP 49 7.986 14.629 -10.506
372 H PHE 50 H PHE 50 5.429 13.203 -8.801
373 HA PHE 50 HA PHE 50 7.399 12.404 -6.796
374 HB2 PHE 50 HB2 PHE 50 4.636 13.658 -6.483
375 HB3 PHE 50 HB3 PHE 50 5.777 13.384 -5.167
376 HD1 PHE 50 HD1 PHE 50 7.877 14.721 -5.024
377 HD2 PHE 50 HD2 PHE 50 4.949 15.519 -8.034
378 HE1 PHE 50 HE1 PHE 50 8.934 16.895 -5.489
379 HE2 PHE 50 HE2 PHE 50 6.010 17.693 -8.487
380 HZ PHE 50 HZ PHE 50 8.008 18.379 -7.218
381 H VAL 51 H VAL 51 4.767 10.869 -8.370
382 HA VAL 51 HA VAL 51 4.440 8.898 -6.156
383 HB VAL 51 HB VAL 51 2.289 9.587 -8.212
384 HG11 VAL 51 HG11 VAL 51 0.769 8.333 -6.723
385 HG12 VAL 51 HG12 VAL 51 2.115 7.966 -5.641
386 HG13 VAL 51 HG13 VAL 51 2.100 7.316 -7.281
387 HG21 VAL 51 HG21 VAL 51 2.483 10.586 -5.345
388 HG22 VAL 51 HG22 VAL 51 1.109 10.829 -6.427
389 HG23 VAL 51 HG23 VAL 51 2.669 11.562 -6.805
390 H VAL 52 H VAL 52 5.220 6.899 -6.716
391 HA VAL 52 HA VAL 52 4.697 5.865 -9.441
392 HB VAL 52 HB VAL 52 6.934 4.649 -9.398
393 HG11 VAL 52 HG11 VAL 52 8.254 6.571 -10.223
394 HG12 VAL 52 HG12 VAL 52 7.081 7.686 -9.521
395 HG13 VAL 52 HG13 VAL 52 6.598 6.614 -10.836
396 HG21 VAL 52 HG21 VAL 52 8.762 5.542 -7.973
397 HG22 VAL 52 HG22 VAL 52 7.469 4.850 -6.995
398 HG23 VAL 52 HG23 VAL 52 7.610 6.602 -7.151
399 H LEU 53 H LEU 53 4.143 3.710 -9.544
400 HA LEU 53 HA LEU 53 3.677 2.291 -6.975
401 HB2 LEU 53 HB2 LEU 53 2.139 2.073 -9.604
402 HB3 LEU 53 HB3 LEU 53 1.795 1.147 -8.149
403 HG LEU 53 HG LEU 53 1.519 4.173 -8.416
404 HD11 LEU 53 HD11 LEU 53 -0.210 3.000 -9.690
405 HD12 LEU 53 HD12 LEU 53 -0.902 3.810 -8.288
406 HD13 LEU 53 HD13 LEU 53 -0.657 2.060 -8.262
407 HD21 LEU 53 HD21 LEU 53 0.820 2.372 -6.067
408 HD22 LEU 53 HD22 LEU 53 0.444 4.093 -6.195
409 HD23 LEU 53 HD23 LEU 53 2.121 3.566 -6.128
410 H GLU 54 H GLU 54 4.464 0.234 -6.739
411 HA GLU 54 HA GLU 54 5.660 -1.144 -9.081
412 HB2 GLU 54 HB2 GLU 54 6.738 -1.026 -6.234
413 HB3 GLU 54 HB3 GLU 54 7.311 -2.170 -7.446
414 HG2 GLU 54 HG2 GLU 54 7.909 -0.161 -8.895
415 HG3 GLU 54 HG3 GLU 54 7.572 0.849 -7.487
416 H ASN 55 H ASN 55 5.515 -3.411 -9.138
417 HA ASN 55 HA ASN 55 3.586 -4.726 -7.335
418 HB2 ASN 55 HB2 ASN 55 2.499 -5.736 -9.454
419 HB3 ASN 55 HB3 ASN 55 2.144 -4.048 -9.098
420 HD21 ASN 55 HD21 ASN 55 3.966 -6.192 -11.220
421 HD22 ASN 55 HD22 ASN 55 4.213 -5.033 -12.471
422 H GLU 56 H GLU 56 4.493 -6.532 -6.576
423 HA GLU 56 HA GLU 56 6.151 -8.261 -8.329
424 HB2 GLU 56 HB2 GLU 56 7.411 -7.231 -6.420
425 HB3 GLU 56 HB3 GLU 56 6.305 -7.997 -5.292
426 HG2 GLU 56 HG2 GLU 56 8.401 -9.232 -5.413
427 HG3 GLU 56 HG3 GLU 56 7.070 -10.217 -6.023
428 H GLY 57 H GLY 57 4.274 -9.341 -9.083
429 HA2 GLY 57 HA2 GLY 57 2.510 -10.805 -9.105
430 HA3 GLY 57 HA3 GLY 57 3.153 -11.485 -7.618
431 HA PRO 58 HA PRO 58 -0.763 -9.593 -6.041
432 HB2 PRO 58 HB2 PRO 58 -0.924 -11.012 -3.726
433 HB3 PRO 58 HB3 PRO 58 -1.349 -11.721 -5.291
434 HG2 PRO 58 HG2 PRO 58 1.238 -11.952 -3.743
435 HG3 PRO 58 HG3 PRO 58 0.284 -13.240 -4.516
436 HD2 PRO 58 HD2 PRO 58 2.473 -12.145 -5.713
437 HD3 PRO 58 HD3 PRO 58 1.079 -12.723 -6.650
438 H HIS 59 H HIS 59 2.438 -9.200 -5.040
439 HA HIS 59 HA HIS 59 1.974 -7.601 -2.634
440 HB2 HIS 59 HB2 HIS 59 4.524 -7.889 -4.288
441 HB3 HIS 59 HB3 HIS 59 4.406 -7.205 -2.675
442 HD1 HIS 59 HD1 HIS 59 6.234 -8.908 -1.981
443 HD2 HIS 59 HD2 HIS 59 2.657 -10.656 -3.137
444 HE1 HIS 59 HE1 HIS 59 6.390 -11.292 -1.243
445 HE2 HIS 59 HE2 HIS 59 4.134 -12.256 -1.753
446 H ARG 60 H ARG 60 0.844 -5.703 -3.131
447 HA ARG 60 HA ARG 60 1.703 -4.072 -5.471
448 HB2 ARG 60 HB2 ARG 60 -0.980 -4.093 -4.050
449 HB3 ARG 60 HB3 ARG 60 -0.582 -3.175 -5.502
450 HG2 ARG 60 HG2 ARG 60 -0.641 -6.208 -5.298
451 HG3 ARG 60 HG3 ARG 60 -1.941 -5.203 -5.953
452 HD2 ARG 60 HD2 ARG 60 -0.559 -4.481 -7.789
453 HD3 ARG 60 HD3 ARG 60 0.879 -5.215 -7.072
454 HE ARG 60 HE ARG 60 -0.458 -7.391 -7.356
455 HH11 ARG 60 HH11 ARG 60 -0.738 -4.765 -9.599
456 HH12 ARG 60 HH12 ARG 60 -0.869 -5.829 -10.952
457 HH21 ARG 60 HH21 ARG 60 -0.586 -8.695 -9.086
458 HH22 ARG 60 HH22 ARG 60 -0.768 -8.013 -10.662
459 H ARG 61 H ARG 61 3.007 -2.469 -4.797
460 HA ARG 61 HA ARG 61 2.505 -1.155 -2.183
461 HB2 ARG 61 HB2 ARG 61 4.998 -0.855 -2.038
462 HB3 ARG 61 HB3 ARG 61 4.445 -2.521 -1.933
463 HG2 ARG 61 HG2 ARG 61 5.157 -2.970 -4.203
464 HG3 ARG 61 HG3 ARG 61 5.556 -1.268 -4.458
465 HD2 ARG 61 HD2 ARG 61 7.564 -2.668 -4.026
466 HD3 ARG 61 HD3 ARG 61 7.358 -1.385 -2.835
467 HE ARG 61 HE ARG 61 6.196 -3.445 -1.585
468 HH11 ARG 61 HH11 ARG 61 9.229 -3.381 -3.262
469 HH12 ARG 61 HH12 ARG 61 9.969 -4.474 -2.149
470 HH21 ARG 61 HH21 ARG 61 7.187 -4.847 -0.185
471 HH22 ARG 61 HH22 ARG 61 8.843 -5.272 -0.436
472 H LEU 62 H LEU 62 2.730 1.003 -1.985
473 HA LEU 62 HA LEU 62 3.089 2.664 -4.396
474 HB2 LEU 62 HB2 LEU 62 1.040 2.909 -2.926
475 HB3 LEU 62 HB3 LEU 62 2.074 3.506 -1.646
476 HG LEU 62 HG LEU 62 1.988 4.923 -4.342
477 HD11 LEU 62 HD11 LEU 62 0.027 5.402 -2.077
478 HD12 LEU 62 HD12 LEU 62 -0.348 4.737 -3.667
479 HD13 LEU 62 HD13 LEU 62 0.202 6.404 -3.523
480 HD21 LEU 62 HD21 LEU 62 3.761 5.649 -2.790
481 HD22 LEU 62 HD22 LEU 62 2.555 5.997 -1.550
482 HD23 LEU 62 HD23 LEU 62 2.580 6.930 -3.048
483 H VAL 63 H VAL 63 5.005 3.582 -4.711
484 HA VAL 63 HA VAL 63 6.931 3.924 -2.488
485 HB VAL 63 HB VAL 63 7.484 3.841 -5.493
486 HG11 VAL 63 HG11 VAL 63 9.207 5.094 -4.274
487 HG12 VAL 63 HG12 VAL 63 9.863 3.567 -4.861
488 HG13 VAL 63 HG13 VAL 63 9.437 3.744 -3.156
489 HG21 VAL 63 HG21 VAL 63 7.848 1.607 -3.453
490 HG22 VAL 63 HG22 VAL 63 8.337 1.549 -5.147
491 HG23 VAL 63 HG23 VAL 63 6.629 1.662 -4.731
492 H LEU 64 H LEU 64 7.353 5.950 -1.841
493 HA LEU 64 HA LEU 64 6.759 8.258 -3.609
494 HB2 LEU 64 HB2 LEU 64 5.426 7.722 -1.282
495 HB3 LEU 64 HB3 LEU 64 6.750 8.656 -0.627
496 HG LEU 64 HG LEU 64 4.911 10.159 -0.962
497 HD11 LEU 64 HD11 LEU 64 6.863 10.630 -3.232
498 HD12 LEU 64 HD12 LEU 64 7.076 11.118 -1.549
499 HD13 LEU 64 HD13 LEU 64 5.784 11.832 -2.508
500 HD21 LEU 64 HD21 LEU 64 4.704 9.176 -3.828
501 HD22 LEU 64 HD22 LEU 64 3.734 10.458 -3.097
502 HD23 LEU 64 HD23 LEU 64 3.586 8.804 -2.513
503 HA PRO 65 HA PRO 65 11.327 8.685 -3.223
504 HB2 PRO 65 HB2 PRO 65 10.724 11.124 -4.875
505 HB3 PRO 65 HB3 PRO 65 11.925 9.852 -5.143
506 HG2 PRO 65 HG2 PRO 65 9.701 9.913 -6.611
507 HG3 PRO 65 HG3 PRO 65 10.336 8.363 -6.021
508 HD2 PRO 65 HD2 PRO 65 8.047 9.999 -4.944
509 HD3 PRO 65 HD3 PRO 65 8.153 8.241 -5.196
510 H ALA 66 H ALA 66 9.790 11.970 -3.367
511 HA ALA 66 HA ALA 66 10.951 12.588 -0.691
512 HB1 ALA 66 HB1 ALA 66 11.051 14.945 -1.363
513 HB2 ALA 66 HB2 ALA 66 10.361 14.548 -2.941
514 HB3 ALA 66 HB3 ALA 66 11.957 13.941 -2.498
515 H THR 67 H THR 67 9.314 12.248 0.719
516 HA THR 67 HA THR 67 6.536 12.538 -0.034
517 HB THR 67 HB THR 67 7.608 11.810 2.729
518 HG1 THR 67 HG1 THR 67 7.628 10.392 0.341
519 HG21 THR 67 HG21 THR 67 5.168 12.303 2.634
520 HG22 THR 67 HG22 THR 67 5.464 10.595 2.952
521 HG23 THR 67 HG23 THR 67 4.980 11.119 1.338
522 H GLN 68 H GLN 68 6.258 14.731 -0.382
523 HA GLN 68 HA GLN 68 6.772 16.786 1.593
524 HB2 GLN 68 HB2 GLN 68 5.095 16.846 -0.961
525 HB3 GLN 68 HB3 GLN 68 5.673 18.259 -0.079
526 HG2 GLN 68 HG2 GLN 68 7.969 17.765 -0.665
527 HG3 GLN 68 HG3 GLN 68 7.512 16.211 -1.359
528 HE21 GLN 68 HE21 GLN 68 8.924 18.454 -2.608
529 HE22 GLN 68 HE22 GLN 68 7.993 18.885 -3.993
530 HA PRO 69 HA PRO 69 3.023 16.791 4.107
531 HB2 PRO 69 HB2 PRO 69 1.916 19.362 3.659
532 HB3 PRO 69 HB3 PRO 69 3.129 18.943 4.873
533 HG2 PRO 69 HG2 PRO 69 3.517 20.093 2.116
534 HG3 PRO 69 HG3 PRO 69 4.353 20.503 3.629
535 HD2 PRO 69 HD2 PRO 69 5.566 18.979 1.817
536 HD3 PRO 69 HD3 PRO 69 5.709 18.571 3.542
537 H SER 70 H SER 70 2.522 17.851 0.754
538 HA SER 70 HA SER 70 -0.272 17.333 0.549
539 HB2 SER 70 HB2 SER 70 1.869 17.297 -1.622
540 HB3 SER 70 HB3 SER 70 0.129 17.324 -1.917
541 HG SER 70 HG SER 70 0.752 19.411 -2.025
542 H ASP 71 H ASP 71 2.615 15.323 -0.052
543 HA ASP 71 HA ASP 71 1.265 13.005 -1.013
544 HB2 ASP 71 HB2 ASP 71 4.049 13.244 0.195
545 HB3 ASP 71 HB3 ASP 71 3.446 11.869 -0.729
546 H GLY 72 H GLY 72 1.789 14.187 2.194
547 HA2 GLY 72 HA2 GLY 72 1.434 11.651 3.578
548 HA3 GLY 72 HA3 GLY 72 1.515 13.248 4.302
549 H GLY 73 H GLY 73 -0.230 11.941 5.555
550 HA2 GLY 73 HA2 GLY 73 -2.443 12.727 6.187
551 HA3 GLY 73 HA3 GLY 73 -2.908 12.697 4.495
552 H GLU 74 H GLU 74 -3.926 10.874 3.758
553 HA GLU 74 HA GLU 74 -3.793 8.364 5.326
554 HB2 GLU 74 HB2 GLU 74 -6.349 9.714 4.354
555 HB3 GLU 74 HB3 GLU 74 -6.277 8.075 5.000
556 HG2 GLU 74 HG2 GLU 74 -5.465 9.006 7.168
557 HG3 GLU 74 HG3 GLU 74 -5.642 10.633 6.511
558 H PHE 75 H PHE 75 -3.283 6.703 4.051
559 HA PHE 75 HA PHE 75 -3.986 6.679 1.174
560 HB2 PHE 75 HB2 PHE 75 -1.963 4.999 2.729
561 HB3 PHE 75 HB3 PHE 75 -2.334 4.783 1.024
562 HD1 PHE 75 HD2 PHE 75 -1.102 7.393 3.437
563 HD2 PHE 75 HD1 PHE 75 -1.038 5.910 -0.573
564 HE1 PHE 75 HE2 PHE 75 0.660 9.011 2.856
565 HE2 PHE 75 HE1 PHE 75 0.720 7.532 -1.138
566 HZ PHE 75 HZ PHE 75 1.570 9.079 0.569
567 H GLN 76 H GLN 76 -5.811 5.618 0.757
568 HA GLN 76 HA GLN 76 -6.717 3.349 2.426
569 HB2 GLN 76 HB2 GLN 76 -8.098 5.637 1.907
570 HB3 GLN 76 HB3 GLN 76 -8.561 4.739 0.471
571 HG2 GLN 76 HG2 GLN 76 -9.042 3.952 3.361
572 HG3 GLN 76 HG3 GLN 76 -10.247 4.507 2.202
573 HE21 GLN 76 HE21 GLN 76 -10.862 3.074 0.500
574 HE22 GLN 76 HE22 GLN 76 -10.607 1.378 0.647
575 H CYS 77 H CYS 77 -6.828 1.320 1.444
576 HA CYS 77 HA CYS 77 -6.160 1.179 -1.456
577 HB2 CYS 77 HB2 CYS 77 -4.139 0.873 0.001
578 HB3 CYS 77 HB3 CYS 77 -4.896 -0.559 0.695
579 HG CYS 77 HG CYS 77 -3.331 -0.167 -2.222
580 H VAL 78 H VAL 78 -7.984 0.340 -2.359
581 HA VAL 78 HA VAL 78 -9.684 -1.575 -0.953
582 HB VAL 78 HB VAL 78 -10.051 -0.376 -3.734
583 HG11 VAL 78 HG11 VAL 78 -12.080 -1.755 -1.928
584 HG12 VAL 78 HG12 VAL 78 -11.404 -2.402 -3.424
585 HG13 VAL 78 HG13 VAL 78 -12.443 -0.977 -3.472
586 HG21 VAL 78 HG21 VAL 78 -9.931 1.408 -2.062
587 HG22 VAL 78 HG22 VAL 78 -11.162 0.611 -1.079
588 HG23 VAL 78 HG23 VAL 78 -11.579 1.253 -2.670
589 H ALA 79 H ALA 79 -9.293 -3.733 -1.094
590 HA ALA 79 HA ALA 79 -7.852 -4.971 -3.293
591 HB1 ALA 79 HB1 ALA 79 -9.260 -6.232 -0.921
592 HB2 ALA 79 HB2 ALA 79 -7.557 -5.780 -0.993
593 HB3 ALA 79 HB3 ALA 79 -8.170 -7.059 -2.041
594 H GLY 80 H GLY 80 -11.177 -5.148 -2.003
595 HA2 GLY 80 HA2 GLY 80 -12.619 -5.134 -4.347
596 HA3 GLY 80 HA3 GLY 80 -12.211 -6.828 -4.107
597 H ASP 81 H ASP 81 -12.631 -7.577 -1.725
598 HA ASP 81 HA ASP 81 -15.392 -6.985 -1.003
599 HB2 ASP 81 HB2 ASP 81 -13.363 -8.994 0.060
600 HB3 ASP 81 HB3 ASP 81 -14.981 -8.817 0.741
601 H GLU 82 H GLU 82 -12.158 -6.392 0.235
602 HA GLU 82 HA GLU 82 -13.197 -4.572 2.318
603 HB2 GLU 82 HB2 GLU 82 -11.587 -5.397 3.974
604 HB3 GLU 82 HB3 GLU 82 -12.631 -6.709 3.455
605 HG2 GLU 82 HG2 GLU 82 -9.783 -6.262 2.494
606 HG3 GLU 82 HG3 GLU 82 -10.261 -7.386 3.763
607 H CYS 83 H CYS 83 -10.968 -3.550 3.367
608 HA CYS 83 HA CYS 83 -9.129 -2.665 1.289
609 HB2 CYS 83 HB2 CYS 83 -9.758 -0.284 1.488
610 HB3 CYS 83 HB3 CYS 83 -11.094 -1.252 0.878
611 HG CYS 83 HG CYS 83 -11.462 0.941 3.004
612 H ALA 84 H ALA 84 -7.217 -1.884 2.087
613 HA ALA 84 HA ALA 84 -6.722 -2.048 4.980
614 HB1 ALA 84 HB1 ALA 84 -4.767 -1.931 2.655
615 HB2 ALA 84 HB2 ALA 84 -5.295 -3.394 3.487
616 HB3 ALA 84 HB3 ALA 84 -4.341 -2.186 4.350
617 H TYR 85 H TYR 85 -6.005 -0.324 6.196
618 HA TYR 85 HA TYR 85 -6.162 2.370 4.959
619 HB2 TYR 85 HB2 TYR 85 -6.515 1.684 7.910
620 HB3 TYR 85 HB3 TYR 85 -6.931 3.196 7.105
621 HD1 TYR 85 HD2 TYR 85 -8.843 3.121 5.335
622 HD2 TYR 85 HD1 TYR 85 -8.145 -0.048 8.120
623 HE1 TYR 85 HE2 TYR 85 -11.117 2.265 4.942
624 HE2 TYR 85 HE1 TYR 85 -10.412 -0.899 7.719
625 HH TYR 85 HH TYR 85 -12.372 0.188 5.148
626 H PHE 86 H PHE 86 -4.536 3.864 5.296
627 HA PHE 86 HA PHE 86 -2.250 3.227 7.077
628 HB2 PHE 86 HB2 PHE 86 -2.004 4.312 4.229
629 HB3 PHE 86 HB3 PHE 86 -0.670 4.123 5.361
630 HD1 PHE 86 HD1 PHE 86 -3.070 2.307 3.190
631 HD2 PHE 86 HD2 PHE 86 0.337 1.939 5.755
632 HE1 PHE 86 HE1 PHE 86 -2.693 0.018 2.370
633 HE2 PHE 86 HE2 PHE 86 0.707 -0.347 4.920
634 HZ PHE 86 HZ PHE 86 -0.808 -1.307 3.232
635 H THR 87 H THR 87 -1.493 4.976 8.223
636 HA THR 87 HA THR 87 -2.629 7.671 7.664
637 HB THR 87 HB THR 87 -2.176 6.404 10.409
638 HG1 THR 87 HG1 THR 87 -4.130 5.833 9.073
639 HG21 THR 87 HG21 THR 87 -1.703 8.825 10.479
640 HG22 THR 87 HG22 THR 87 -3.205 8.459 11.328
641 HG23 THR 87 HG23 THR 87 -3.261 9.157 9.708
642 H VAL 88 H VAL 88 -0.928 8.767 6.846
643 HA VAL 88 HA VAL 88 1.774 8.475 8.022
644 HB VAL 88 HB VAL 88 0.949 9.630 5.316
645 HG11 VAL 88 HG11 VAL 88 3.746 9.170 6.430
646 HG12 VAL 88 HG12 VAL 88 2.991 10.734 6.119
647 HG13 VAL 88 HG13 VAL 88 3.373 9.659 4.775
648 HG21 VAL 88 HG21 VAL 88 2.313 6.983 5.968
649 HG22 VAL 88 HG22 VAL 88 1.982 7.598 4.348
650 HG23 VAL 88 HG23 VAL 88 0.645 7.184 5.419
651 H THR 89 H THR 89 2.469 10.058 9.322
652 HA THR 89 HA THR 89 1.130 12.699 9.377
653 HB THR 89 HB THR 89 2.702 11.209 11.524
654 HG1 THR 89 HG1 THR 89 0.582 11.360 12.570
655 HG21 THR 89 HG21 THR 89 1.428 13.970 11.708
656 HG22 THR 89 HG22 THR 89 3.155 13.618 11.788
657 HG23 THR 89 HG23 THR 89 2.079 13.057 13.069
658 H ILE 90 H ILE 90 2.229 14.408 8.614
659 HA ILE 90 HA ILE 90 5.207 14.432 8.602
660 HB ILE 90 HB ILE 90 3.358 15.804 6.585
661 HG12 ILE 90 HG12 ILE 90 5.045 13.271 6.301
662 HG13 ILE 90 HG13 ILE 90 3.290 13.373 6.249
663 HG21 ILE 90 HG21 ILE 90 6.398 15.581 6.573
664 HG22 ILE 90 HG22 ILE 90 5.469 17.044 6.909
665 HG23 ILE 90 HG23 ILE 90 5.413 16.314 5.306
666 HD11 ILE 90 HD11 ILE 90 4.176 13.049 4.055
667 HD12 ILE 90 HD12 ILE 90 5.222 14.458 4.212
668 HD13 ILE 90 HD13 ILE 90 3.467 14.659 4.156
Start of MODEL 19
1 H HIS 1 H1 HIS 1 -12.833 -20.123 -6.348
2 HA HIS 1 HA HIS 1 -12.379 -17.548 -7.752
3 HB2 HIS 1 HB2 HIS 1 -14.976 -19.050 -7.180
4 HB3 HIS 1 HB3 HIS 1 -14.873 -17.450 -7.909
5 HD1 HIS 1 HD1 HIS 1 -14.007 -17.334 -10.394
6 HD2 HIS 1 HD2 HIS 1 -14.549 -21.193 -8.932
7 HE1 HIS 1 HE1 HIS 1 -14.012 -18.827 -12.412
8 HE2 HIS 1 HE2 HIS 1 -14.432 -21.134 -11.512
9 H MET 2 H MET 2 -11.530 -18.352 -5.005
10 HA MET 2 HA MET 2 -13.399 -17.490 -3.053
11 HB2 MET 2 HB2 MET 2 -11.631 -17.769 -1.436
12 HB3 MET 2 HB3 MET 2 -11.472 -19.055 -2.625
13 HG2 MET 2 HG2 MET 2 -9.755 -16.563 -2.416
14 HG3 MET 2 HG3 MET 2 -9.286 -18.206 -2.000
15 HE1 MET 2 HE1 MET 2 -7.095 -17.494 -5.178
16 HE2 MET 2 HE2 MET 2 -7.085 -18.099 -3.522
17 HE3 MET 2 HE3 MET 2 -7.480 -16.406 -3.847
18 HA PRO 3 HA PRO 3 -12.919 -13.006 -3.271
19 HB2 PRO 3 HB2 PRO 3 -13.666 -12.906 -0.380
20 HB3 PRO 3 HB3 PRO 3 -14.502 -12.219 -1.778
21 HG2 PRO 3 HG2 PRO 3 -15.491 -14.364 -0.486
22 HG3 PRO 3 HG3 PRO 3 -15.630 -14.211 -2.251
23 HD2 PRO 3 HD2 PRO 3 -13.651 -15.833 -0.640
24 HD3 PRO 3 HD3 PRO 3 -14.587 -16.306 -2.079
25 H VAL 4 H VAL 4 -11.334 -11.501 -2.868
26 HA VAL 4 HA VAL 4 -8.905 -12.406 -1.584
27 HB VAL 4 HB VAL 4 -8.732 -11.229 -3.704
28 HG11 VAL 4 HG11 VAL 4 -9.943 -8.785 -2.348
29 HG12 VAL 4 HG12 VAL 4 -10.718 -9.785 -3.577
30 HG13 VAL 4 HG13 VAL 4 -9.289 -8.839 -3.989
31 HG21 VAL 4 HG21 VAL 4 -6.988 -9.566 -3.129
32 HG22 VAL 4 HG22 VAL 4 -6.836 -11.014 -2.135
33 HG23 VAL 4 HG23 VAL 4 -7.542 -9.547 -1.454
34 H HIS 5 H HIS 5 -8.112 -11.856 0.376
35 HA HIS 5 HA HIS 5 -9.114 -9.442 1.750
36 HB2 HIS 5 HB2 HIS 5 -8.739 -10.622 3.940
37 HB3 HIS 5 HB3 HIS 5 -10.041 -11.293 2.973
38 HD1 HIS 5 HD1 HIS 5 -9.900 -13.745 2.374
39 HD2 HIS 5 HD2 HIS 5 -6.383 -12.313 4.075
40 HE1 HIS 5 HE1 HIS 5 -8.508 -15.775 2.849
41 HE2 HIS 5 HE2 HIS 5 -6.436 -14.898 3.961
42 H ILE 6 H ILE 6 -7.618 -8.164 2.863
43 HA ILE 6 HA ILE 6 -4.923 -8.263 1.788
44 HB ILE 6 HB ILE 6 -6.419 -6.240 3.496
45 HG12 ILE 6 HG12 ILE 6 -5.809 -4.680 1.620
46 HG13 ILE 6 HG13 ILE 6 -4.928 -5.978 0.826
47 HG21 ILE 6 HG21 ILE 6 -3.419 -6.146 2.985
48 HG22 ILE 6 HG22 ILE 6 -4.212 -6.317 4.551
49 HG23 ILE 6 HG23 ILE 6 -4.380 -4.816 3.643
50 HD11 ILE 6 HD11 ILE 6 -7.031 -7.180 0.477
51 HD12 ILE 6 HD12 ILE 6 -7.068 -5.564 -0.225
52 HD13 ILE 6 HD13 ILE 6 -7.908 -5.881 1.292
53 H VAL 7 H VAL 7 -3.646 -9.796 2.590
54 HA VAL 7 HA VAL 7 -3.589 -10.651 5.346
55 HB VAL 7 HB VAL 7 -1.659 -12.086 4.648
56 HG11 VAL 7 HG11 VAL 7 -4.056 -12.234 2.777
57 HG12 VAL 7 HG12 VAL 7 -3.957 -12.926 4.397
58 HG13 VAL 7 HG13 VAL 7 -2.927 -13.551 3.109
59 HG21 VAL 7 HG21 VAL 7 -2.004 -10.838 1.878
60 HG22 VAL 7 HG22 VAL 7 -0.927 -12.178 2.284
61 HG23 VAL 7 HG23 VAL 7 -0.628 -10.575 2.957
62 H ASP 8 H ASP 8 -1.811 -8.348 3.412
63 HA ASP 8 HA ASP 8 -0.356 -7.392 5.767
64 HB2 ASP 8 HB2 ASP 8 1.165 -8.989 4.588
65 HB3 ASP 8 HB3 ASP 8 1.007 -8.036 3.114
66 HA PRO 9 HA PRO 9 -0.160 -5.714 6.740
67 HB2 PRO 9 HB2 PRO 9 -0.982 -3.365 7.741
68 HB3 PRO 9 HB3 PRO 9 0.481 -3.466 6.752
69 HG2 PRO 9 HG2 PRO 9 -2.268 -2.517 5.986
70 HG3 PRO 9 HG3 PRO 9 -0.684 -1.848 5.540
71 HD2 PRO 9 HD2 PRO 9 -2.221 -3.583 3.943
72 HD3 PRO 9 HD3 PRO 9 -0.488 -3.267 3.732
73 H ARG 10 H ARG 10 -1.422 -7.066 7.841
74 HA ARG 10 HA ARG 10 -4.233 -7.335 7.730
75 HB2 ARG 10 HB2 ARG 10 -2.749 -9.177 8.264
76 HB3 ARG 10 HB3 ARG 10 -2.133 -8.348 9.682
77 HG2 ARG 10 HG2 ARG 10 -5.064 -8.980 9.594
78 HG3 ARG 10 HG3 ARG 10 -3.940 -10.318 9.823
79 HD2 ARG 10 HD2 ARG 10 -4.212 -7.859 11.591
80 HD3 ARG 10 HD3 ARG 10 -4.690 -9.513 11.987
81 HE ARG 10 HE ARG 10 -1.916 -9.345 11.314
82 HH11 ARG 10 HH11 ARG 10 -4.070 -8.872 13.978
83 HH12 ARG 10 HH12 ARG 10 -2.798 -8.989 15.139
84 HH21 ARG 10 HH21 ARG 10 -0.328 -9.454 12.814
85 HH22 ARG 10 HH22 ARG 10 -0.721 -9.320 14.493
86 H GLU 11 H GLU 11 -2.188 -5.312 9.617
87 HA GLU 11 HA GLU 11 -4.419 -4.235 11.242
88 HB2 GLU 11 HB2 GLU 11 -2.699 -3.347 12.776
89 HB3 GLU 11 HB3 GLU 11 -2.543 -5.090 12.616
90 HG2 GLU 11 HG2 GLU 11 -0.797 -3.166 11.040
91 HG3 GLU 11 HG3 GLU 11 -0.386 -3.673 12.676
92 H HIS 12 H HIS 12 -4.528 -1.856 11.428
93 HA HIS 12 HA HIS 12 -3.796 -0.494 8.937
94 HB2 HIS 12 HB2 HIS 12 -5.122 1.450 9.882
95 HB3 HIS 12 HB3 HIS 12 -6.035 -0.030 9.660
96 HD1 HIS 12 HD1 HIS 12 -4.785 2.291 12.296
97 HD2 HIS 12 HD2 HIS 12 -6.998 -1.213 12.036
98 HE1 HIS 12 HE1 HIS 12 -5.820 1.981 14.554
99 HE2 HIS 12 HE2 HIS 12 -6.971 -0.243 14.432
100 H VAL 13 H VAL 13 -1.826 0.320 8.736
101 HA VAL 13 HA VAL 13 -0.124 0.743 11.080
102 HB VAL 13 HB VAL 13 0.582 0.741 8.106
103 HG11 VAL 13 HG11 VAL 13 2.462 0.695 10.507
104 HG12 VAL 13 HG12 VAL 13 2.255 2.032 9.375
105 HG13 VAL 13 HG13 VAL 13 2.948 0.509 8.820
106 HG21 VAL 13 HG21 VAL 13 -0.264 -1.446 8.885
107 HG22 VAL 13 HG22 VAL 13 0.929 -1.461 10.186
108 HG23 VAL 13 HG23 VAL 13 1.456 -1.534 8.503
109 H PHE 14 H PHE 14 0.205 2.705 11.953
110 HA PHE 14 HA PHE 14 -0.171 5.203 10.525
111 HB2 PHE 14 HB2 PHE 14 -0.710 5.190 12.903
112 HB3 PHE 14 HB3 PHE 14 0.895 4.596 13.316
113 HD1 PHE 14 HD1 PHE 14 -0.869 7.535 11.800
114 HD2 PHE 14 HD2 PHE 14 2.633 6.157 13.841
115 HE1 PHE 14 HE1 PHE 14 -0.076 9.851 12.020
116 HE2 PHE 14 HE2 PHE 14 3.412 8.483 14.057
117 HZ PHE 14 HZ PHE 14 2.060 10.328 13.143
118 H VAL 15 H VAL 15 1.371 6.361 9.506
119 HA VAL 15 HA VAL 15 4.237 5.713 9.826
120 HB VAL 15 HB VAL 15 2.897 6.728 7.275
121 HG11 VAL 15 HG11 VAL 15 5.776 5.872 7.773
122 HG12 VAL 15 HG12 VAL 15 5.214 7.519 7.486
123 HG13 VAL 15 HG13 VAL 15 5.102 6.316 6.203
124 HG21 VAL 15 HG21 VAL 15 3.944 3.928 7.877
125 HG22 VAL 15 HG22 VAL 15 3.354 4.481 6.307
126 HG23 VAL 15 HG23 VAL 15 2.250 4.384 7.681
127 H HIS 16 H HIS 16 5.389 7.419 10.654
128 HA HIS 16 HA HIS 16 4.377 10.175 10.259
129 HB2 HIS 16 HB2 HIS 16 4.769 9.558 12.622
130 HB3 HIS 16 HB3 HIS 16 6.448 9.177 12.262
131 HD1 HIS 16 HD1 HIS 16 8.092 11.095 12.331
132 HD2 HIS 16 HD2 HIS 16 4.137 12.380 12.386
133 HE1 HIS 16 HE1 HIS 16 8.196 13.581 12.670
134 HE2 HIS 16 HE2 HIS 16 5.811 14.348 12.513
135 H ALA 17 H ALA 17 5.201 11.028 8.449
136 HA ALA 17 HA ALA 17 7.873 10.284 7.467
137 HB1 ALA 17 HB1 ALA 17 5.667 11.897 6.147
138 HB2 ALA 17 HB2 ALA 17 5.971 10.177 5.912
139 HB3 ALA 17 HB3 ALA 17 7.163 11.362 5.375
140 H ILE 18 H ILE 18 9.318 11.918 6.681
141 HA ILE 18 HA ILE 18 9.191 14.586 7.987
142 HB ILE 18 HB ILE 18 11.626 13.075 6.898
143 HG12 ILE 18 HG12 ILE 18 10.738 11.960 8.915
144 HG13 ILE 18 HG13 ILE 18 12.295 12.702 9.262
145 HG21 ILE 18 HG21 ILE 18 12.006 15.495 6.787
146 HG22 ILE 18 HG22 ILE 18 13.035 14.766 8.019
147 HG23 ILE 18 HG23 ILE 18 11.590 15.663 8.495
148 HD11 ILE 18 HD11 ILE 18 10.772 13.005 11.104
149 HD12 ILE 18 HD12 ILE 18 9.582 13.766 10.052
150 HD13 ILE 18 HD13 ILE 18 11.121 14.569 10.370
151 H THR 19 H THR 19 10.038 16.404 6.591
152 HA THR 19 HA THR 19 8.924 16.631 4.040
153 HB THR 19 HB THR 19 10.423 18.637 3.751
154 HG1 THR 19 HG1 THR 19 12.297 17.936 4.782
155 HG21 THR 19 HG21 THR 19 8.318 18.892 5.022
156 HG22 THR 19 HG22 THR 19 9.577 19.942 5.668
157 HG23 THR 19 HG23 THR 19 9.159 18.450 6.512
158 H SER 20 H SER 20 9.466 15.741 2.163
159 HA SER 20 HA SER 20 10.498 14.855 0.364
160 HB2 SER 20 HB2 SER 20 13.099 15.830 1.611
161 HB3 SER 20 HB3 SER 20 12.921 15.243 -0.043
162 HG SER 20 HG SER 20 12.754 17.675 0.610
163 H GLU 21 H GLU 21 10.487 13.382 3.189
164 HA GLU 21 HA GLU 21 12.598 11.398 2.904
165 HB2 GLU 21 HB2 GLU 21 11.225 12.417 5.082
166 HB3 GLU 21 HB3 GLU 21 10.401 10.885 4.879
167 HG2 GLU 21 HG2 GLU 21 13.412 11.162 5.183
168 HG3 GLU 21 HG3 GLU 21 12.314 10.918 6.538
169 H CYS 22 H CYS 22 12.289 9.135 2.549
170 HA CYS 22 HA CYS 22 10.239 8.524 0.582
171 HB2 CYS 22 HB2 CYS 22 11.545 6.439 0.220
172 HB3 CYS 22 HB3 CYS 22 12.552 7.881 0.128
173 HG CYS 22 HG CYS 22 12.726 6.980 3.204
174 H VAL 23 H VAL 23 8.292 7.784 1.197
175 HA VAL 23 HA VAL 23 8.046 5.770 3.372
176 HB VAL 23 HB VAL 23 5.910 7.611 2.190
177 HG11 VAL 23 HG11 VAL 23 4.907 5.457 2.811
178 HG12 VAL 23 HG12 VAL 23 4.384 6.714 3.930
179 HG13 VAL 23 HG13 VAL 23 5.626 5.559 4.420
180 HG21 VAL 23 HG21 VAL 23 5.883 8.695 4.414
181 HG22 VAL 23 HG22 VAL 23 7.478 8.810 3.668
182 HG23 VAL 23 HG23 VAL 23 7.189 7.634 4.951
183 H MET 24 H MET 24 8.052 3.729 2.496
184 HA MET 24 HA MET 24 6.594 3.219 -0.027
185 HB2 MET 24 HB2 MET 24 8.906 2.315 0.127
186 HB3 MET 24 HB3 MET 24 8.452 1.367 1.536
187 HG2 MET 24 HG2 MET 24 6.909 0.040 0.189
188 HG3 MET 24 HG3 MET 24 7.249 1.043 -1.225
189 HE1 MET 24 HE1 MET 24 7.818 -1.141 -2.676
190 HE2 MET 24 HE2 MET 24 7.480 -2.174 -1.285
191 HE3 MET 24 HE3 MET 24 8.989 -2.362 -2.178
192 H LEU 25 H LEU 25 4.498 3.003 0.361
193 HA LEU 25 HA LEU 25 3.336 1.901 2.765
194 HB2 LEU 25 HB2 LEU 25 2.071 2.648 0.100
195 HB3 LEU 25 HB3 LEU 25 1.186 2.305 1.584
196 HG LEU 25 HG LEU 25 3.154 4.612 1.290
197 HD11 LEU 25 HD11 LEU 25 1.212 6.085 1.082
198 HD12 LEU 25 HD12 LEU 25 0.138 4.684 1.049
199 HD13 LEU 25 HD13 LEU 25 1.300 4.939 -0.255
200 HD21 LEU 25 HD21 LEU 25 2.825 3.883 3.615
201 HD22 LEU 25 HD22 LEU 25 1.076 4.039 3.435
202 HD23 LEU 25 HD23 LEU 25 2.107 5.470 3.346
203 H ALA 26 H ALA 26 3.481 -0.232 3.092
204 HA ALA 26 HA ALA 26 3.922 -2.088 0.883
205 HB1 ALA 26 HB1 ALA 26 4.604 -3.661 2.657
206 HB2 ALA 26 HB2 ALA 26 4.074 -2.514 3.890
207 HB3 ALA 26 HB3 ALA 26 5.430 -2.111 2.838
208 H CYS 27 H CYS 27 2.103 -2.907 -0.073
209 HA CYS 27 HA CYS 27 0.083 -4.228 1.634
210 HB2 CYS 27 HB2 CYS 27 -0.468 -2.570 -0.844
211 HB3 CYS 27 HB3 CYS 27 -1.634 -3.727 -0.201
212 HG CYS 27 HG CYS 27 -0.605 -1.795 2.237
213 H GLU 28 H GLU 28 -0.701 -6.150 0.962
214 HA GLU 28 HA GLU 28 0.169 -7.466 -1.466
215 HB2 GLU 28 HB2 GLU 28 1.998 -7.872 0.219
216 HB3 GLU 28 HB3 GLU 28 0.822 -8.650 1.274
217 HG2 GLU 28 HG2 GLU 28 0.496 -10.456 -0.284
218 HG3 GLU 28 HG3 GLU 28 1.403 -9.616 -1.541
219 H VAL 29 H VAL 29 -1.476 -8.602 -2.217
220 HA VAL 29 HA VAL 29 -3.893 -8.984 -0.599
221 HB VAL 29 HB VAL 29 -5.027 -9.375 -2.796
222 HG11 VAL 29 HG11 VAL 29 -4.958 -7.105 -1.846
223 HG12 VAL 29 HG12 VAL 29 -4.916 -7.045 -3.608
224 HG13 VAL 29 HG13 VAL 29 -3.435 -6.784 -2.683
225 HG21 VAL 29 HG21 VAL 29 -3.844 -8.928 -4.931
226 HG22 VAL 29 HG22 VAL 29 -3.154 -10.319 -4.093
227 HG23 VAL 29 HG23 VAL 29 -2.317 -8.766 -4.053
228 H ASP 30 H ASP 30 -4.934 -10.967 -0.367
229 HA ASP 30 HA ASP 30 -3.367 -13.327 -0.192
230 HB2 ASP 30 HB2 ASP 30 -5.311 -12.794 1.281
231 HB3 ASP 30 HB3 ASP 30 -6.397 -13.002 -0.087
232 H ARG 31 H ARG 31 -5.395 -12.054 -2.722
233 HA ARG 31 HA ARG 31 -5.284 -14.567 -4.292
234 HB2 ARG 31 HB2 ARG 31 -7.577 -13.823 -3.638
235 HB3 ARG 31 HB3 ARG 31 -7.306 -12.285 -4.447
236 HG2 ARG 31 HG2 ARG 31 -7.080 -13.516 -6.614
237 HG3 ARG 31 HG3 ARG 31 -7.454 -15.015 -5.760
238 HD2 ARG 31 HD2 ARG 31 -9.656 -14.018 -5.086
239 HD3 ARG 31 HD3 ARG 31 -9.273 -12.605 -6.084
240 HE ARG 31 HE ARG 31 -9.229 -15.232 -7.349
241 HH11 ARG 31 HH11 ARG 31 -10.893 -12.234 -7.004
242 HH12 ARG 31 HH12 ARG 31 -11.941 -12.546 -8.338
243 HH21 ARG 31 HH21 ARG 31 -10.551 -15.610 -9.058
244 HH22 ARG 31 HH22 ARG 31 -11.734 -14.430 -9.505
245 H GLU 32 H GLU 32 -3.844 -14.466 -5.898
246 HA GLU 32 HA GLU 32 -2.681 -12.062 -6.957
247 HB2 GLU 32 HB2 GLU 32 -2.561 -14.883 -8.135
248 HB3 GLU 32 HB3 GLU 32 -1.524 -13.537 -8.575
249 HG2 GLU 32 HG2 GLU 32 -0.209 -14.931 -7.212
250 HG3 GLU 32 HG3 GLU 32 -0.652 -13.561 -6.201
251 H ASP 33 H ASP 33 -4.437 -10.822 -7.737
252 HA ASP 33 HA ASP 33 -5.523 -11.100 -10.291
253 HB2 ASP 33 HB2 ASP 33 -6.681 -13.112 -9.298
254 HB3 ASP 33 HB3 ASP 33 -7.456 -12.057 -8.124
255 H ALA 34 H ALA 34 -6.103 -10.040 -6.973
256 HA ALA 34 HA ALA 34 -8.185 -8.216 -7.317
257 HB1 ALA 34 HB1 ALA 34 -7.512 -9.173 -5.156
258 HB2 ALA 34 HB2 ALA 34 -7.632 -7.415 -5.078
259 HB3 ALA 34 HB3 ALA 34 -6.048 -8.189 -5.175
260 HA PRO 35 HA PRO 35 -5.786 -4.733 -9.167
261 HB2 PRO 35 HB2 PRO 35 -8.373 -3.532 -9.878
262 HB3 PRO 35 HB3 PRO 35 -7.140 -4.193 -10.955
263 HG2 PRO 35 HG2 PRO 35 -9.587 -5.375 -10.592
264 HG3 PRO 35 HG3 PRO 35 -8.121 -6.288 -11.010
265 HD2 PRO 35 HD2 PRO 35 -9.409 -5.914 -8.298
266 HD3 PRO 35 HD3 PRO 35 -8.769 -7.399 -9.046
267 H VAL 36 H VAL 36 -4.996 -3.646 -7.335
268 HA VAL 36 HA VAL 36 -6.741 -2.579 -5.305
269 HB VAL 36 HB VAL 36 -4.730 -1.751 -4.178
270 HG11 VAL 36 HG11 VAL 36 -4.309 -4.553 -5.294
271 HG12 VAL 36 HG12 VAL 36 -5.300 -4.126 -3.898
272 HG13 VAL 36 HG13 VAL 36 -3.552 -3.904 -3.836
273 HG21 VAL 36 HG21 VAL 36 -3.450 -0.920 -6.122
274 HG22 VAL 36 HG22 VAL 36 -3.162 -2.575 -6.661
275 HG23 VAL 36 HG23 VAL 36 -2.457 -2.006 -5.146
276 H ARG 37 H ARG 37 -7.088 -0.437 -4.737
277 HA ARG 37 HA ARG 37 -6.410 1.709 -6.668
278 HB2 ARG 37 HB2 ARG 37 -9.086 1.352 -5.231
279 HB3 ARG 37 HB3 ARG 37 -8.658 2.708 -6.276
280 HG2 ARG 37 HG2 ARG 37 -8.516 1.149 -8.202
281 HG3 ARG 37 HG3 ARG 37 -8.965 -0.191 -7.143
282 HD2 ARG 37 HD2 ARG 37 -10.913 0.573 -8.406
283 HD3 ARG 37 HD3 ARG 37 -11.138 0.911 -6.685
284 HE ARG 37 HE ARG 37 -10.020 3.163 -8.009
285 HH11 ARG 37 HH11 ARG 37 -13.052 1.538 -7.596
286 HH12 ARG 37 HH12 ARG 37 -13.962 2.946 -7.997
287 HH21 ARG 37 HH21 ARG 37 -11.210 4.918 -8.510
288 HH22 ARG 37 HH22 ARG 37 -12.938 4.830 -8.517
289 H TRP 38 H TRP 38 -4.991 2.936 -5.543
290 HA TRP 38 HA TRP 38 -5.087 3.183 -2.641
291 HB2 TRP 38 HB2 TRP 38 -3.219 4.357 -4.755
292 HB3 TRP 38 HB3 TRP 38 -3.028 4.622 -3.025
293 HD1 TRP 38 HD1 TRP 38 -2.609 1.873 -5.697
294 HE1 TRP 38 HE1 TRP 38 -1.161 -0.001 -4.691
295 HE3 TRP 38 HE3 TRP 38 -2.399 3.519 -0.865
296 HZ2 TRP 38 HZ2 TRP 38 -0.078 -0.697 -2.177
297 HZ3 TRP 38 HZ3 TRP 38 -1.140 2.201 0.781
298 HH2 TRP 38 HH2 TRP 38 0.002 0.134 0.141
299 H TYR 39 H TYR 39 -5.677 5.050 -1.531
300 HA TYR 39 HA TYR 39 -6.690 7.374 -3.069
301 HB2 TYR 39 HB2 TYR 39 -7.967 5.994 -0.680
302 HB3 TYR 39 HB3 TYR 39 -8.417 7.619 -1.187
303 HD1 TYR 39 HD2 TYR 39 -9.405 7.977 -3.507
304 HD2 TYR 39 HD1 TYR 39 -8.891 4.072 -1.797
305 HE1 TYR 39 HE2 TYR 39 -11.033 7.041 -5.097
306 HE2 TYR 39 HE1 TYR 39 -10.515 3.159 -3.402
307 HH TYR 39 HH TYR 39 -11.534 4.814 -6.125
308 H LYS 40 H LYS 40 -5.784 9.263 -2.493
309 HA LYS 40 HA LYS 40 -4.205 9.539 -0.062
310 HB2 LYS 40 HB2 LYS 40 -3.619 10.496 -2.389
311 HB3 LYS 40 HB3 LYS 40 -4.889 11.686 -2.125
312 HG2 LYS 40 HG2 LYS 40 -3.653 12.506 -0.113
313 HG3 LYS 40 HG3 LYS 40 -2.367 11.340 -0.457
314 HD2 LYS 40 HD2 LYS 40 -1.948 12.434 -2.635
315 HD3 LYS 40 HD3 LYS 40 -3.261 13.574 -2.326
316 HE2 LYS 40 HE2 LYS 40 -0.676 13.347 -0.746
317 HE3 LYS 40 HE3 LYS 40 -1.092 14.620 -1.895
318 HZ1 LYS 40 HZ1 LYS 40 -1.491 15.465 0.246
319 HZ2 LYS 40 HZ2 LYS 40 -2.322 14.083 0.746
320 HZ3 LYS 40 HZ3 LYS 40 -3.024 15.123 -0.392
321 H ASP 41 H ASP 41 -5.617 12.553 -0.439
322 HA ASP 41 HA ASP 41 -7.492 12.186 1.771
323 HB2 ASP 41 HB2 ASP 41 -7.507 14.697 1.796
324 HB3 ASP 41 HB3 ASP 41 -5.907 13.998 1.998
325 H GLY 42 H GLY 42 -8.458 10.885 -0.403
326 HA2 GLY 42 HA2 GLY 42 -10.628 10.714 -1.349
327 HA3 GLY 42 HA3 GLY 42 -10.781 12.460 -1.320
328 H GLN 43 H GLN 43 -7.797 12.093 -2.522
329 HA GLN 43 HA GLN 43 -8.591 12.880 -5.148
330 HB2 GLN 43 HB2 GLN 43 -6.685 13.931 -4.012
331 HB3 GLN 43 HB3 GLN 43 -5.838 12.395 -3.940
332 HG2 GLN 43 HG2 GLN 43 -4.874 13.836 -5.656
333 HG3 GLN 43 HG3 GLN 43 -5.587 12.401 -6.389
334 HE21 GLN 43 HE21 GLN 43 -5.898 15.861 -5.974
335 HE22 GLN 43 HE22 GLN 43 -7.032 16.113 -7.248
336 H GLU 44 H GLU 44 -7.437 9.853 -3.849
337 HA GLU 44 HA GLU 44 -6.865 7.845 -4.657
338 HB2 GLU 44 HB2 GLU 44 -8.895 7.891 -6.027
339 HB3 GLU 44 HB3 GLU 44 -8.049 8.746 -7.310
340 HG2 GLU 44 HG2 GLU 44 -6.645 6.809 -7.751
341 HG3 GLU 44 HG3 GLU 44 -7.316 5.958 -6.362
342 H VAL 45 H VAL 45 -4.882 7.138 -5.023
343 HA VAL 45 HA VAL 45 -2.915 8.942 -6.211
344 HB VAL 45 HB VAL 45 -2.362 6.370 -4.669
345 HG11 VAL 45 HG11 VAL 45 -0.572 8.772 -5.231
346 HG12 VAL 45 HG12 VAL 45 -0.445 7.182 -5.983
347 HG13 VAL 45 HG13 VAL 45 -0.133 7.364 -4.258
348 HG21 VAL 45 HG21 VAL 45 -2.594 9.185 -3.538
349 HG22 VAL 45 HG22 VAL 45 -2.058 7.756 -2.652
350 HG23 VAL 45 HG23 VAL 45 -3.712 7.849 -3.252
351 H GLU 46 H GLU 46 -2.485 8.650 -8.290
352 HA GLU 46 HA GLU 46 -2.067 5.930 -9.414
353 HB2 GLU 46 HB2 GLU 46 -2.393 7.056 -11.667
354 HB3 GLU 46 HB3 GLU 46 -3.829 7.015 -10.650
355 HG2 GLU 46 HG2 GLU 46 -3.359 9.391 -9.980
356 HG3 GLU 46 HG3 GLU 46 -2.021 9.404 -11.134
357 H GLU 47 H GLU 47 -0.333 6.060 -11.284
358 HA GLU 47 HA GLU 47 2.139 6.711 -10.046
359 HB2 GLU 47 HB2 GLU 47 1.626 6.008 -12.971
360 HB3 GLU 47 HB3 GLU 47 3.199 6.022 -12.190
361 HG2 GLU 47 HG2 GLU 47 2.771 3.770 -12.094
362 HG3 GLU 47 HG3 GLU 47 2.051 4.246 -10.561
363 H SER 48 H SER 48 3.427 8.473 -10.197
364 HA SER 48 HA SER 48 2.809 10.712 -12.005
365 HB2 SER 48 HB2 SER 48 1.399 11.057 -9.978
366 HB3 SER 48 HB3 SER 48 2.825 10.918 -8.954
367 HG SER 48 HG SER 48 2.224 12.958 -10.832
368 H ASP 49 H ASP 49 4.462 12.624 -11.195
369 HA ASP 49 HA ASP 49 7.054 11.799 -11.912
370 HB2 ASP 49 HB2 ASP 49 6.073 14.099 -12.211
371 HB3 ASP 49 HB3 ASP 49 6.237 14.363 -10.480
372 H PHE 50 H PHE 50 5.578 12.216 -8.723
373 HA PHE 50 HA PHE 50 8.063 11.282 -7.380
374 HB2 PHE 50 HB2 PHE 50 5.769 12.943 -6.225
375 HB3 PHE 50 HB3 PHE 50 7.155 12.366 -5.307
376 HD1 PHE 50 HD1 PHE 50 9.454 13.248 -5.832
377 HD2 PHE 50 HD2 PHE 50 5.937 14.945 -7.581
378 HE1 PHE 50 HE1 PHE 50 10.720 15.272 -6.432
379 HE2 PHE 50 HE2 PHE 50 7.217 16.966 -8.173
380 HZ PHE 50 HZ PHE 50 9.606 17.130 -7.600
381 H VAL 51 H VAL 51 5.573 9.769 -8.611
382 HA VAL 51 HA VAL 51 5.150 7.957 -6.291
383 HB VAL 51 HB VAL 51 2.937 8.639 -8.285
384 HG11 VAL 51 HG11 VAL 51 2.848 6.990 -5.725
385 HG12 VAL 51 HG12 VAL 51 2.774 6.362 -7.372
386 HG13 VAL 51 HG13 VAL 51 1.462 7.365 -6.756
387 HG21 VAL 51 HG21 VAL 51 3.194 9.631 -5.418
388 HG22 VAL 51 HG22 VAL 51 1.790 9.864 -6.459
389 HG23 VAL 51 HG23 VAL 51 3.331 10.613 -6.876
390 H VAL 52 H VAL 52 5.797 5.906 -6.805
391 HA VAL 52 HA VAL 52 5.082 4.811 -9.470
392 HB VAL 52 HB VAL 52 7.079 3.348 -9.488
393 HG11 VAL 52 HG11 VAL 52 7.212 5.478 -10.705
394 HG12 VAL 52 HG12 VAL 52 8.794 5.023 -10.072
395 HG13 VAL 52 HG13 VAL 52 7.852 6.281 -9.269
396 HG21 VAL 52 HG21 VAL 52 8.987 3.711 -7.931
397 HG22 VAL 52 HG22 VAL 52 7.541 3.154 -7.086
398 HG23 VAL 52 HG23 VAL 52 8.006 4.856 -7.009
399 H LEU 53 H LEU 53 4.343 2.641 -9.460
400 HA LEU 53 HA LEU 53 3.664 1.491 -6.801
401 HB2 LEU 53 HB2 LEU 53 2.198 1.161 -9.456
402 HB3 LEU 53 HB3 LEU 53 1.757 0.359 -7.956
403 HG LEU 53 HG LEU 53 1.604 3.352 -8.511
404 HD11 LEU 53 HD11 LEU 53 -0.176 2.098 -9.620
405 HD12 LEU 53 HD12 LEU 53 -0.831 3.060 -8.299
406 HD13 LEU 53 HD13 LEU 53 -0.617 1.318 -8.096
407 HD21 LEU 53 HD21 LEU 53 0.556 3.561 -6.281
408 HD22 LEU 53 HD22 LEU 53 2.224 3.012 -6.176
409 HD23 LEU 53 HD23 LEU 53 0.905 1.859 -5.958
410 H GLU 54 H GLU 54 4.365 -0.546 -6.337
411 HA GLU 54 HA GLU 54 5.784 -2.154 -8.353
412 HB2 GLU 54 HB2 GLU 54 5.610 -2.410 -5.318
413 HB3 GLU 54 HB3 GLU 54 6.491 -3.534 -6.353
414 HG2 GLU 54 HG2 GLU 54 7.089 -0.599 -5.891
415 HG3 GLU 54 HG3 GLU 54 8.047 -1.981 -5.359
416 H ASN 55 H ASN 55 4.568 -3.575 -9.454
417 HA ASN 55 HA ASN 55 2.334 -5.001 -8.114
418 HB2 ASN 55 HB2 ASN 55 2.277 -3.896 -10.959
419 HB3 ASN 55 HB3 ASN 55 0.973 -4.758 -10.147
420 HD21 ASN 55 HD21 ASN 55 -0.186 -3.663 -8.475
421 HD22 ASN 55 HD22 ASN 55 -0.154 -1.943 -8.353
422 H GLU 56 H GLU 56 2.927 -7.088 -8.054
423 HA GLU 56 HA GLU 56 3.486 -8.596 -10.436
424 HB2 GLU 56 HB2 GLU 56 5.665 -9.577 -9.557
425 HB3 GLU 56 HB3 GLU 56 5.771 -7.907 -10.101
426 HG2 GLU 56 HG2 GLU 56 5.761 -7.107 -7.788
427 HG3 GLU 56 HG3 GLU 56 5.532 -8.748 -7.191
428 H GLY 57 H GLY 57 2.142 -10.300 -10.162
429 HA2 GLY 57 HA2 GLY 57 1.011 -12.089 -9.276
430 HA3 GLY 57 HA3 GLY 57 2.331 -12.239 -8.134
431 HA PRO 58 HA PRO 58 -0.882 -10.788 -5.172
432 HB2 PRO 58 HB2 PRO 58 0.254 -11.617 -2.883
433 HB3 PRO 58 HB3 PRO 58 -0.420 -12.782 -4.034
434 HG2 PRO 58 HG2 PRO 58 2.455 -12.005 -3.580
435 HG3 PRO 58 HG3 PRO 58 1.763 -13.617 -3.856
436 HD2 PRO 58 HD2 PRO 58 2.969 -12.033 -5.828
437 HD3 PRO 58 HD3 PRO 58 1.845 -13.371 -6.151
438 H HIS 59 H HIS 59 2.360 -9.686 -5.576
439 HA HIS 59 HA HIS 59 2.476 -7.818 -3.375
440 HB2 HIS 59 HB2 HIS 59 4.297 -8.280 -5.764
441 HB3 HIS 59 HB3 HIS 59 4.603 -7.021 -4.575
442 HD1 HIS 59 HD1 HIS 59 6.330 -7.736 -2.983
443 HD2 HIS 59 HD2 HIS 59 3.970 -10.945 -4.157
444 HE1 HIS 59 HE1 HIS 59 7.224 -9.713 -1.736
445 HE2 HIS 59 HE2 HIS 59 5.664 -11.593 -2.313
446 H ARG 60 H ARG 60 1.313 -5.991 -3.348
447 HA ARG 60 HA ARG 60 1.344 -4.179 -5.690
448 HB2 ARG 60 HB2 ARG 60 -1.107 -4.979 -4.079
449 HB3 ARG 60 HB3 ARG 60 -1.031 -3.413 -4.861
450 HG2 ARG 60 HG2 ARG 60 -2.216 -4.678 -6.406
451 HG3 ARG 60 HG3 ARG 60 -0.576 -4.730 -7.047
452 HD2 ARG 60 HD2 ARG 60 -0.282 -6.991 -6.045
453 HD3 ARG 60 HD3 ARG 60 -1.944 -6.922 -5.452
454 HE ARG 60 HE ARG 60 -2.736 -7.061 -7.671
455 HH11 ARG 60 HH11 ARG 60 0.729 -7.348 -7.595
456 HH12 ARG 60 HH12 ARG 60 0.781 -8.107 -9.148
457 HH21 ARG 60 HH21 ARG 60 -2.610 -7.992 -9.645
458 HH22 ARG 60 HH22 ARG 60 -1.081 -8.462 -10.289
459 H ARG 61 H ARG 61 3.223 -3.385 -4.333
460 HA ARG 61 HA ARG 61 2.443 -1.867 -1.901
461 HB2 ARG 61 HB2 ARG 61 5.244 -2.602 -2.859
462 HB3 ARG 61 HB3 ARG 61 4.836 -1.820 -1.332
463 HG2 ARG 61 HG2 ARG 61 3.490 -3.960 -0.794
464 HG3 ARG 61 HG3 ARG 61 4.315 -4.691 -2.173
465 HD2 ARG 61 HD2 ARG 61 6.505 -4.166 -1.085
466 HD3 ARG 61 HD3 ARG 61 5.642 -3.525 0.309
467 HE ARG 61 HE ARG 61 6.286 -6.231 -0.189
468 HH11 ARG 61 HH11 ARG 61 3.459 -4.567 0.905
469 HH12 ARG 61 HH12 ARG 61 3.099 -5.763 2.090
470 HH21 ARG 61 HH21 ARG 61 5.727 -7.777 1.313
471 HH22 ARG 61 HH22 ARG 61 4.344 -7.527 2.323
472 H LEU 62 H LEU 62 2.297 0.317 -2.009
473 HA LEU 62 HA LEU 62 3.133 1.849 -4.316
474 HB2 LEU 62 HB2 LEU 62 1.068 2.294 -2.968
475 HB3 LEU 62 HB3 LEU 62 2.067 2.789 -1.622
476 HG LEU 62 HG LEU 62 2.174 4.267 -4.283
477 HD11 LEU 62 HD11 LEU 62 0.238 4.856 -2.019
478 HD12 LEU 62 HD12 LEU 62 -0.181 4.236 -3.617
479 HD13 LEU 62 HD13 LEU 62 0.491 5.855 -3.456
480 HD21 LEU 62 HD21 LEU 62 2.855 6.199 -2.897
481 HD22 LEU 62 HD22 LEU 62 3.968 4.849 -2.731
482 HD23 LEU 62 HD23 LEU 62 2.799 5.183 -1.452
483 H VAL 63 H VAL 63 5.010 2.996 -4.565
484 HA VAL 63 HA VAL 63 6.813 3.376 -2.230
485 HB VAL 63 HB VAL 63 7.648 3.273 -5.164
486 HG11 VAL 63 HG11 VAL 63 9.362 3.298 -2.645
487 HG12 VAL 63 HG12 VAL 63 9.172 4.629 -3.790
488 HG13 VAL 63 HG13 VAL 63 9.968 3.138 -4.297
489 HG21 VAL 63 HG21 VAL 63 7.939 1.079 -3.076
490 HG22 VAL 63 HG22 VAL 63 8.604 1.040 -4.711
491 HG23 VAL 63 HG23 VAL 63 6.858 1.051 -4.472
492 H LEU 64 H LEU 64 6.700 5.426 -1.533
493 HA LEU 64 HA LEU 64 6.417 7.681 -3.443
494 HB2 LEU 64 HB2 LEU 64 4.840 7.151 -1.238
495 HB3 LEU 64 HB3 LEU 64 6.032 8.199 -0.509
496 HG LEU 64 HG LEU 64 4.187 9.590 -1.104
497 HD11 LEU 64 HD11 LEU 64 6.249 10.000 -3.284
498 HD12 LEU 64 HD12 LEU 64 6.344 10.609 -1.630
499 HD13 LEU 64 HD13 LEU 64 5.075 11.190 -2.704
500 HD21 LEU 64 HD21 LEU 64 4.235 8.396 -3.889
501 HD22 LEU 64 HD22 LEU 64 3.150 9.668 -3.320
502 HD23 LEU 64 HD23 LEU 64 3.049 8.053 -2.626
503 HA PRO 65 HA PRO 65 10.932 7.835 -2.289
504 HB2 PRO 65 HB2 PRO 65 11.631 9.527 -4.383
505 HB3 PRO 65 HB3 PRO 65 11.510 7.767 -4.522
506 HG2 PRO 65 HG2 PRO 65 9.440 9.865 -5.206
507 HG3 PRO 65 HG3 PRO 65 9.977 8.478 -6.175
508 HD2 PRO 65 HD2 PRO 65 7.707 8.329 -4.795
509 HD3 PRO 65 HD3 PRO 65 8.801 6.926 -4.837
510 H ALA 66 H ALA 66 8.998 10.772 -3.162
511 HA ALA 66 HA ALA 66 10.282 12.208 -0.892
512 HB1 ALA 66 HB1 ALA 66 10.216 14.294 -2.194
513 HB2 ALA 66 HB2 ALA 66 9.543 13.430 -3.581
514 HB3 ALA 66 HB3 ALA 66 11.179 13.071 -3.024
515 H THR 67 H THR 67 8.563 11.672 0.469
516 HA THR 67 HA THR 67 5.807 11.978 -0.191
517 HB THR 67 HB THR 67 7.027 11.715 2.592
518 HG1 THR 67 HG1 THR 67 6.160 9.745 0.712
519 HG21 THR 67 HG21 THR 67 4.842 10.689 3.207
520 HG22 THR 67 HG22 THR 67 4.219 11.045 1.596
521 HG23 THR 67 HG23 THR 67 4.632 12.364 2.693
522 H GLN 68 H GLN 68 8.125 14.184 1.375
523 HA GLN 68 HA GLN 68 8.069 16.453 1.699
524 HB2 GLN 68 HB2 GLN 68 5.805 16.210 -0.333
525 HB3 GLN 68 HB3 GLN 68 6.521 17.746 0.145
526 HG2 GLN 68 HG2 GLN 68 8.685 17.066 -0.752
527 HG3 GLN 68 HG3 GLN 68 8.061 15.463 -1.132
528 HE21 GLN 68 HE21 GLN 68 6.651 15.220 -2.895
529 HE22 GLN 68 HE22 GLN 68 6.496 16.430 -4.115
530 HA PRO 69 HA PRO 69 4.573 17.596 4.586
531 HB2 PRO 69 HB2 PRO 69 4.081 20.228 3.262
532 HB3 PRO 69 HB3 PRO 69 4.519 19.878 4.939
533 HG2 PRO 69 HG2 PRO 69 6.293 20.966 3.234
534 HG3 PRO 69 HG3 PRO 69 6.798 19.797 4.471
535 HD2 PRO 69 HD2 PRO 69 6.328 19.351 1.522
536 HD3 PRO 69 HD3 PRO 69 7.645 18.747 2.555
537 H SER 70 H SER 70 4.159 18.196 1.149
538 HA SER 70 HA SER 70 1.310 18.472 1.137
539 HB2 SER 70 HB2 SER 70 1.660 18.454 -1.386
540 HB3 SER 70 HB3 SER 70 2.580 19.671 -0.505
541 HG SER 70 HG SER 70 3.493 17.280 -1.701
542 H ASP 71 H ASP 71 3.453 15.823 -0.137
543 HA ASP 71 HA ASP 71 1.199 14.300 -1.130
544 HB2 ASP 71 HB2 ASP 71 4.174 13.642 -1.065
545 HB3 ASP 71 HB3 ASP 71 2.957 12.616 -1.821
546 H GLY 72 H GLY 72 1.828 14.601 1.966
547 HA2 GLY 72 HA2 GLY 72 1.606 11.863 2.901
548 HA3 GLY 72 HA3 GLY 72 1.422 13.328 3.851
549 H GLY 73 H GLY 73 -0.410 12.408 4.915
550 HA2 GLY 73 HA2 GLY 73 -2.805 12.742 5.046
551 HA3 GLY 73 HA3 GLY 73 -2.929 12.383 3.329
552 H GLU 74 H GLU 74 -4.671 10.964 4.557
553 HA GLU 74 HA GLU 74 -3.608 8.419 5.536
554 HB2 GLU 74 HB2 GLU 74 -6.467 9.393 5.164
555 HB3 GLU 74 HB3 GLU 74 -6.016 7.841 5.880
556 HG2 GLU 74 HG2 GLU 74 -4.718 9.150 7.639
557 HG3 GLU 74 HG3 GLU 74 -5.444 10.615 6.983
558 H PHE 75 H PHE 75 -3.308 6.647 4.263
559 HA PHE 75 HA PHE 75 -4.269 6.728 1.466
560 HB2 PHE 75 HB2 PHE 75 -1.781 5.458 2.649
561 HB3 PHE 75 HB3 PHE 75 -2.308 5.191 0.990
562 HD1 PHE 75 HD2 PHE 75 -0.921 7.702 3.337
563 HD2 PHE 75 HD1 PHE 75 -2.084 6.929 -0.702
564 HE1 PHE 75 HE2 PHE 75 0.251 9.739 2.603
565 HE2 PHE 75 HE1 PHE 75 -0.908 8.968 -1.421
566 HZ PHE 75 HZ PHE 75 0.256 10.373 0.226
567 H GLN 76 H GLN 76 -5.890 5.409 1.030
568 HA GLN 76 HA GLN 76 -6.206 2.829 2.467
569 HB2 GLN 76 HB2 GLN 76 -8.052 4.429 2.824
570 HB3 GLN 76 HB3 GLN 76 -8.284 4.577 1.084
571 HG2 GLN 76 HG2 GLN 76 -8.910 2.160 1.002
572 HG3 GLN 76 HG3 GLN 76 -8.751 2.088 2.757
573 HE21 GLN 76 HE21 GLN 76 -10.156 4.836 1.029
574 HE22 GLN 76 HE22 GLN 76 -11.767 4.583 1.579
575 H CYS 77 H CYS 77 -5.753 1.057 1.296
576 HA CYS 77 HA CYS 77 -5.649 1.149 -1.659
577 HB2 CYS 77 HB2 CYS 77 -3.583 0.463 -0.520
578 HB3 CYS 77 HB3 CYS 77 -4.444 -0.813 0.335
579 HG CYS 77 HG CYS 77 -2.694 -1.557 -1.938
580 H VAL 78 H VAL 78 -7.767 0.730 -2.308
581 HA VAL 78 HA VAL 78 -9.338 -1.441 -1.144
582 HB VAL 78 HB VAL 78 -10.115 0.518 -3.354
583 HG11 VAL 78 HG11 VAL 78 -11.522 -1.499 -3.382
584 HG12 VAL 78 HG12 VAL 78 -12.457 -0.113 -2.823
585 HG13 VAL 78 HG13 VAL 78 -11.874 -1.308 -1.661
586 HG21 VAL 78 HG21 VAL 78 -10.691 0.702 -0.365
587 HG22 VAL 78 HG22 VAL 78 -11.313 1.797 -1.604
588 HG23 VAL 78 HG23 VAL 78 -9.582 1.733 -1.276
589 H ALA 79 H ALA 79 -8.806 -3.428 -1.878
590 HA ALA 79 HA ALA 79 -7.862 -3.935 -4.598
591 HB1 ALA 79 HB1 ALA 79 -6.761 -5.008 -2.674
592 HB2 ALA 79 HB2 ALA 79 -7.438 -6.211 -3.771
593 HB3 ALA 79 HB3 ALA 79 -8.268 -5.831 -2.259
594 H GLY 80 H GLY 80 -10.541 -5.003 -2.525
595 HA2 GLY 80 HA2 GLY 80 -12.668 -5.056 -4.232
596 HA3 GLY 80 HA3 GLY 80 -11.855 -6.580 -4.580
597 H ASP 81 H ASP 81 -14.228 -5.225 -2.688
598 HA ASP 81 HA ASP 81 -15.360 -5.654 -0.789
599 HB2 ASP 81 HB2 ASP 81 -15.402 -8.028 -1.406
600 HB3 ASP 81 HB3 ASP 81 -13.797 -8.270 -0.734
601 H GLU 82 H GLU 82 -12.115 -6.940 -0.108
602 HA GLU 82 HA GLU 82 -11.873 -5.511 2.412
603 HB2 GLU 82 HB2 GLU 82 -10.226 -7.570 0.928
604 HB3 GLU 82 HB3 GLU 82 -9.556 -6.734 2.324
605 HG2 GLU 82 HG2 GLU 82 -12.222 -8.133 2.559
606 HG3 GLU 82 HG3 GLU 82 -10.738 -9.078 2.600
607 H CYS 83 H CYS 83 -10.094 -4.184 2.931
608 HA CYS 83 HA CYS 83 -8.499 -2.889 0.862
609 HB2 CYS 83 HB2 CYS 83 -9.317 -0.612 1.462
610 HB3 CYS 83 HB3 CYS 83 -10.594 -1.604 0.764
611 HG CYS 83 HG CYS 83 -10.814 -2.103 3.944
612 H ALA 84 H ALA 84 -6.691 -1.853 1.677
613 HA ALA 84 HA ALA 84 -5.956 -2.307 4.488
614 HB1 ALA 84 HB1 ALA 84 -3.659 -1.830 3.731
615 HB2 ALA 84 HB2 ALA 84 -4.258 -1.425 2.120
616 HB3 ALA 84 HB3 ALA 84 -4.402 -3.076 2.725
617 H TYR 85 H TYR 85 -5.019 -0.586 5.758
618 HA TYR 85 HA TYR 85 -5.749 2.175 4.958
619 HB2 TYR 85 HB2 TYR 85 -6.293 0.811 7.626
620 HB3 TYR 85 HB3 TYR 85 -6.356 2.557 7.419
621 HD1 TYR 85 HD1 TYR 85 -8.009 -0.645 6.495
622 HD2 TYR 85 HD2 TYR 85 -8.254 3.620 6.330
623 HE1 TYR 85 HE1 TYR 85 -10.362 -0.801 5.796
624 HE2 TYR 85 HE2 TYR 85 -10.606 3.459 5.636
625 HH TYR 85 HH TYR 85 -12.104 1.846 4.561
626 H PHE 86 H PHE 86 -4.208 3.623 5.207
627 HA PHE 86 HA PHE 86 -2.062 3.319 7.222
628 HB2 PHE 86 HB2 PHE 86 -1.750 4.456 4.400
629 HB3 PHE 86 HB3 PHE 86 -0.512 4.510 5.648
630 HD1 PHE 86 HD2 PHE 86 0.678 2.440 6.330
631 HD2 PHE 86 HD1 PHE 86 -2.177 2.413 3.141
632 HE1 PHE 86 HE2 PHE 86 1.559 0.276 5.550
633 HE2 PHE 86 HE1 PHE 86 -1.289 0.250 2.378
634 HZ PHE 86 HZ PHE 86 0.578 -0.817 3.575
635 H THR 87 H THR 87 -1.443 5.270 8.228
636 HA THR 87 HA THR 87 -2.839 7.772 7.413
637 HB THR 87 HB THR 87 -2.277 6.915 10.296
638 HG1 THR 87 HG1 THR 87 -4.840 7.288 9.104
639 HG21 THR 87 HG21 THR 87 -3.559 8.926 10.945
640 HG22 THR 87 HG22 THR 87 -3.729 9.376 9.249
641 HG23 THR 87 HG23 THR 87 -2.133 9.376 10.002
642 H VAL 88 H VAL 88 -1.140 8.789 6.393
643 HA VAL 88 HA VAL 88 1.536 8.764 7.635
644 HB VAL 88 HB VAL 88 0.735 9.759 4.860
645 HG11 VAL 88 HG11 VAL 88 3.510 9.326 6.050
646 HG12 VAL 88 HG12 VAL 88 2.769 10.882 5.671
647 HG13 VAL 88 HG13 VAL 88 3.172 9.762 4.370
648 HG21 VAL 88 HG21 VAL 88 2.059 7.128 5.649
649 HG22 VAL 88 HG22 VAL 88 1.780 7.682 3.997
650 HG23 VAL 88 HG23 VAL 88 0.410 7.324 5.047
651 H THR 89 H THR 89 1.473 10.261 9.238
652 HA THR 89 HA THR 89 0.651 13.047 8.683
653 HB THR 89 HB THR 89 1.538 11.767 11.319
654 HG1 THR 89 HG1 THR 89 -0.835 12.150 11.730
655 HG21 THR 89 HG21 THR 89 0.599 13.789 12.400
656 HG22 THR 89 HG22 THR 89 0.250 14.485 10.816
657 HG23 THR 89 HG23 THR 89 1.923 14.219 11.313
658 H ILE 90 H ILE 90 2.187 14.614 8.316
659 HA ILE 90 HA ILE 90 4.948 13.747 7.943
660 HB ILE 90 HB ILE 90 3.804 16.519 7.404
661 HG12 ILE 90 HG12 ILE 90 2.442 14.870 6.172
662 HG13 ILE 90 HG13 ILE 90 3.437 15.787 5.049
663 HG21 ILE 90 HG21 ILE 90 6.263 15.116 6.272
664 HG22 ILE 90 HG22 ILE 90 6.259 16.448 7.428
665 HG23 ILE 90 HG23 ILE 90 5.681 16.710 5.784
666 HD11 ILE 90 HD11 ILE 90 3.344 13.461 4.424
667 HD12 ILE 90 HD12 ILE 90 3.951 12.969 6.004
668 HD13 ILE 90 HD13 ILE 90 4.986 13.883 4.903
Start of MODEL 20
1 H HIS 1 H1 HIS 1 -17.777 -16.945 -6.150
2 HA HIS 1 HA HIS 1 -16.326 -17.663 -7.893
3 HB2 HIS 1 HB2 HIS 1 -18.250 -16.130 -9.683
4 HB3 HIS 1 HB3 HIS 1 -16.633 -16.584 -10.210
5 HD1 HIS 1 HD1 HIS 1 -20.060 -17.928 -9.825
6 HD2 HIS 1 HD2 HIS 1 -16.234 -19.432 -10.465
7 HE1 HIS 1 HE1 HIS 1 -20.379 -20.305 -10.565
8 HE2 HIS 1 HE2 HIS 1 -18.057 -21.209 -10.900
9 H MET 2 H MET 2 -14.470 -16.618 -7.771
10 HA MET 2 HA MET 2 -12.864 -15.132 -7.346
11 HB2 MET 2 HB2 MET 2 -14.600 -13.273 -9.007
12 HB3 MET 2 HB3 MET 2 -12.924 -12.949 -8.575
13 HG2 MET 2 HG2 MET 2 -12.985 -13.788 -10.832
14 HG3 MET 2 HG3 MET 2 -12.252 -15.016 -9.802
15 HE1 MET 2 HE1 MET 2 -13.195 -15.770 -12.680
16 HE2 MET 2 HE2 MET 2 -14.168 -17.219 -12.433
17 HE3 MET 2 HE3 MET 2 -12.654 -17.028 -11.558
18 HA PRO 3 HA PRO 3 -14.490 -12.710 -3.731
19 HB2 PRO 3 HB2 PRO 3 -13.613 -14.255 -1.705
20 HB3 PRO 3 HB3 PRO 3 -15.126 -14.641 -2.541
21 HG2 PRO 3 HG2 PRO 3 -12.386 -15.851 -2.922
22 HG3 PRO 3 HG3 PRO 3 -13.957 -16.671 -2.781
23 HD2 PRO 3 HD2 PRO 3 -12.714 -16.125 -5.193
24 HD3 PRO 3 HD3 PRO 3 -14.471 -16.324 -5.016
25 H VAL 4 H VAL 4 -12.985 -11.756 -1.962
26 HA VAL 4 HA VAL 4 -10.133 -12.089 -2.195
27 HB VAL 4 HB VAL 4 -10.465 -10.715 -4.213
28 HG11 VAL 4 HG11 VAL 4 -11.646 -8.565 -2.414
29 HG12 VAL 4 HG12 VAL 4 -12.517 -9.507 -3.623
30 HG13 VAL 4 HG13 VAL 4 -11.264 -8.372 -4.127
31 HG21 VAL 4 HG21 VAL 4 -9.054 -9.129 -2.027
32 HG22 VAL 4 HG22 VAL 4 -8.807 -8.932 -3.765
33 HG23 VAL 4 HG23 VAL 4 -8.348 -10.441 -2.975
34 H HIS 5 H HIS 5 -9.109 -11.462 -0.382
35 HA HIS 5 HA HIS 5 -10.131 -9.414 1.433
36 HB2 HIS 5 HB2 HIS 5 -11.130 -11.560 2.238
37 HB3 HIS 5 HB3 HIS 5 -9.522 -12.265 2.364
38 HD1 HIS 5 HD1 HIS 5 -11.765 -9.700 3.980
39 HD2 HIS 5 HD2 HIS 5 -8.120 -11.565 4.713
40 HE1 HIS 5 HE1 HIS 5 -11.149 -9.072 6.323
41 HE2 HIS 5 HE2 HIS 5 -8.837 -9.996 6.643
42 H ILE 6 H ILE 6 -8.403 -8.092 1.739
43 HA ILE 6 HA ILE 6 -5.700 -8.668 1.246
44 HB ILE 6 HB ILE 6 -6.901 -6.456 2.978
45 HG12 ILE 6 HG12 ILE 6 -6.033 -6.446 0.047
46 HG13 ILE 6 HG13 ILE 6 -7.698 -6.450 0.620
47 HG21 ILE 6 HG21 ILE 6 -4.088 -6.628 1.814
48 HG22 ILE 6 HG22 ILE 6 -4.510 -6.742 3.523
49 HG23 ILE 6 HG23 ILE 6 -4.767 -5.231 2.655
50 HD11 ILE 6 HD11 ILE 6 -7.346 -4.236 1.610
51 HD12 ILE 6 HD12 ILE 6 -7.041 -4.258 -0.126
52 HD13 ILE 6 HD13 ILE 6 -5.686 -4.237 1.002
53 H VAL 7 H VAL 7 -4.348 -9.938 2.362
54 HA VAL 7 HA VAL 7 -4.990 -10.892 5.046
55 HB VAL 7 HB VAL 7 -3.122 -12.504 4.690
56 HG11 VAL 7 HG11 VAL 7 -5.099 -12.376 2.376
57 HG12 VAL 7 HG12 VAL 7 -5.391 -13.114 3.953
58 HG13 VAL 7 HG13 VAL 7 -4.185 -13.805 2.867
59 HG21 VAL 7 HG21 VAL 7 -2.784 -11.172 1.967
60 HG22 VAL 7 HG22 VAL 7 -1.968 -12.644 2.497
61 HG23 VAL 7 HG23 VAL 7 -1.623 -11.111 3.298
62 H ASP 8 H ASP 8 -2.930 -8.492 3.686
63 HA ASP 8 HA ASP 8 -1.947 -7.692 6.280
64 HB2 ASP 8 HB2 ASP 8 -0.321 -9.507 5.548
65 HB3 ASP 8 HB3 ASP 8 0.112 -8.507 4.167
66 HA PRO 9 HA PRO 9 -1.566 -5.977 7.257
67 HB2 PRO 9 HB2 PRO 9 -2.063 -3.427 7.945
68 HB3 PRO 9 HB3 PRO 9 -0.477 -3.899 7.319
69 HG2 PRO 9 HG2 PRO 9 -2.768 -2.575 5.865
70 HG3 PRO 9 HG3 PRO 9 -1.038 -2.168 5.834
71 HD2 PRO 9 HD2 PRO 9 -2.292 -3.705 3.900
72 HD3 PRO 9 HD3 PRO 9 -0.557 -3.811 4.271
73 H ARG 10 H ARG 10 -3.244 -5.679 8.911
74 HA ARG 10 HA ARG 10 -5.987 -5.904 7.801
75 HB2 ARG 10 HB2 ARG 10 -4.834 -7.095 10.358
76 HB3 ARG 10 HB3 ARG 10 -6.461 -7.366 9.739
77 HG2 ARG 10 HG2 ARG 10 -5.575 -8.556 7.798
78 HG3 ARG 10 HG3 ARG 10 -3.920 -8.195 8.291
79 HD2 ARG 10 HD2 ARG 10 -4.359 -9.508 10.412
80 HD3 ARG 10 HD3 ARG 10 -5.908 -10.000 9.715
81 HE ARG 10 HE ARG 10 -4.072 -10.675 7.807
82 HH11 ARG 10 HH11 ARG 10 -4.474 -11.551 11.136
83 HH12 ARG 10 HH12 ARG 10 -3.612 -13.035 10.942
84 HH21 ARG 10 HH21 ARG 10 -2.965 -12.583 7.613
85 HH22 ARG 10 HH22 ARG 10 -2.779 -13.604 8.997
86 H GLU 11 H GLU 11 -4.454 -3.418 8.893
87 HA GLU 11 HA GLU 11 -6.617 -2.260 10.451
88 HB2 GLU 11 HB2 GLU 11 -5.328 -1.781 12.475
89 HB3 GLU 11 HB3 GLU 11 -5.345 -3.516 12.190
90 HG2 GLU 11 HG2 GLU 11 -3.059 -3.434 11.315
91 HG3 GLU 11 HG3 GLU 11 -3.026 -1.678 11.493
92 H HIS 12 H HIS 12 -5.739 -0.009 11.418
93 HA HIS 12 HA HIS 12 -4.708 1.663 9.296
94 HB2 HIS 12 HB2 HIS 12 -5.120 2.410 12.232
95 HB3 HIS 12 HB3 HIS 12 -5.003 3.515 10.869
96 HD1 HIS 12 HD1 HIS 12 -7.395 1.499 12.820
97 HD2 HIS 12 HD2 HIS 12 -7.386 3.551 9.211
98 HE1 HIS 12 HE1 HIS 12 -9.808 1.798 12.207
99 HE2 HIS 12 HE2 HIS 12 -9.769 3.172 10.112
100 H VAL 13 H VAL 13 -2.521 1.395 8.825
101 HA VAL 13 HA VAL 13 -0.553 1.031 10.994
102 HB VAL 13 HB VAL 13 -0.171 0.890 7.967
103 HG11 VAL 13 HG11 VAL 13 1.803 0.199 10.186
104 HG12 VAL 13 HG12 VAL 13 1.942 1.540 9.050
105 HG13 VAL 13 HG13 VAL 13 2.052 -0.119 8.466
106 HG21 VAL 13 HG21 VAL 13 -1.583 -0.937 8.833
107 HG22 VAL 13 HG22 VAL 13 -0.353 -1.342 10.032
108 HG23 VAL 13 HG23 VAL 13 -0.016 -1.559 8.314
109 H PHE 14 H PHE 14 0.125 2.852 11.932
110 HA PHE 14 HA PHE 14 0.229 5.420 10.596
111 HB2 PHE 14 HB2 PHE 14 1.071 4.602 13.411
112 HB3 PHE 14 HB3 PHE 14 1.049 6.258 12.817
113 HD1 PHE 14 HD1 PHE 14 -1.174 3.308 13.461
114 HD2 PHE 14 HD2 PHE 14 -0.945 7.550 12.956
115 HE1 PHE 14 HE1 PHE 14 -3.523 3.522 14.157
116 HE2 PHE 14 HE2 PHE 14 -3.294 7.753 13.660
117 HZ PHE 14 HZ PHE 14 -4.584 5.744 14.258
118 H VAL 15 H VAL 15 1.870 5.921 9.283
119 HA VAL 15 HA VAL 15 4.588 4.815 9.683
120 HB VAL 15 HB VAL 15 3.357 6.045 7.168
121 HG11 VAL 15 HG11 VAL 15 5.810 6.231 7.167
122 HG12 VAL 15 HG12 VAL 15 5.278 5.060 5.960
123 HG13 VAL 15 HG13 VAL 15 5.957 4.501 7.490
124 HG21 VAL 15 HG21 VAL 15 3.721 3.106 7.878
125 HG22 VAL 15 HG22 VAL 15 3.177 3.717 6.316
126 HG23 VAL 15 HG23 VAL 15 2.185 3.966 7.752
127 H HIS 16 H HIS 16 5.796 6.254 10.884
128 HA HIS 16 HA HIS 16 5.341 9.120 10.844
129 HB2 HIS 16 HB2 HIS 16 7.475 7.435 12.226
130 HB3 HIS 16 HB3 HIS 16 7.293 9.172 12.452
131 HD1 HIS 16 HD1 HIS 16 6.265 9.564 14.668
132 HD2 HIS 16 HD2 HIS 16 4.622 6.213 12.833
133 HE1 HIS 16 HE1 HIS 16 4.497 8.739 16.242
134 HE2 HIS 16 HE2 HIS 16 3.646 6.617 15.197
135 H ALA 17 H ALA 17 6.093 10.382 9.223
136 HA ALA 17 HA ALA 17 8.617 9.693 7.820
137 HB1 ALA 17 HB1 ALA 17 6.011 10.495 6.492
138 HB2 ALA 17 HB2 ALA 17 6.690 8.867 6.532
139 HB3 ALA 17 HB3 ALA 17 7.540 10.154 5.676
140 H ILE 18 H ILE 18 9.834 11.373 7.040
141 HA ILE 18 HA ILE 18 9.290 14.099 7.966
142 HB ILE 18 HB ILE 18 11.675 13.019 6.390
143 HG12 ILE 18 HG12 ILE 18 11.464 13.405 9.415
144 HG13 ILE 18 HG13 ILE 18 11.371 11.848 8.601
145 HG21 ILE 18 HG21 ILE 18 11.510 15.465 6.230
146 HG22 ILE 18 HG22 ILE 18 12.908 15.002 7.199
147 HG23 ILE 18 HG23 ILE 18 11.446 15.592 7.990
148 HD11 ILE 18 HD11 ILE 18 13.550 12.187 9.579
149 HD12 ILE 18 HD12 ILE 18 13.769 13.681 8.670
150 HD13 ILE 18 HD13 ILE 18 13.686 12.134 7.822
151 H THR 19 H THR 19 9.247 15.923 6.502
152 HA THR 19 HA THR 19 7.648 15.822 4.229
153 HB THR 19 HB THR 19 8.347 18.153 3.765
154 HG1 THR 19 HG1 THR 19 10.209 18.931 4.458
155 HG21 THR 19 HG21 THR 19 8.156 17.626 6.756
156 HG22 THR 19 HG22 THR 19 6.790 17.821 5.655
157 HG23 THR 19 HG23 THR 19 7.874 19.179 5.961
158 H SER 20 H SER 20 11.077 15.222 4.386
159 HA SER 20 HA SER 20 11.477 15.520 1.460
160 HB2 SER 20 HB2 SER 20 12.937 16.872 2.995
161 HB3 SER 20 HB3 SER 20 13.568 15.376 3.684
162 HG SER 20 HG SER 20 14.514 14.890 1.727
163 H GLU 21 H GLU 21 10.644 13.052 3.440
164 HA GLU 21 HA GLU 21 12.631 11.058 2.542
165 HB2 GLU 21 HB2 GLU 21 10.531 11.036 4.734
166 HB3 GLU 21 HB3 GLU 21 11.301 9.545 4.201
167 HG2 GLU 21 HG2 GLU 21 12.777 11.957 5.298
168 HG3 GLU 21 HG3 GLU 21 12.342 10.526 6.233
169 H CYS 22 H CYS 22 12.034 9.021 1.692
170 HA CYS 22 HA CYS 22 9.682 9.017 -0.058
171 HB2 CYS 22 HB2 CYS 22 10.737 7.036 -1.106
172 HB3 CYS 22 HB3 CYS 22 11.859 8.389 -1.036
173 HG CYS 22 HG CYS 22 11.896 5.651 1.013
174 H VAL 23 H VAL 23 7.836 7.961 0.456
175 HA VAL 23 HA VAL 23 7.841 5.980 2.670
176 HB VAL 23 HB VAL 23 5.528 7.659 1.591
177 HG11 VAL 23 HG11 VAL 23 4.706 5.469 2.396
178 HG12 VAL 23 HG12 VAL 23 4.193 6.768 3.473
179 HG13 VAL 23 HG13 VAL 23 5.532 5.716 3.937
180 HG21 VAL 23 HG21 VAL 23 5.621 8.818 3.768
181 HG22 VAL 23 HG22 VAL 23 7.153 8.973 2.907
182 HG23 VAL 23 HG23 VAL 23 7.007 7.831 4.244
183 H MET 24 H MET 24 7.665 3.926 2.114
184 HA MET 24 HA MET 24 6.322 3.112 -0.402
185 HB2 MET 24 HB2 MET 24 8.464 1.670 1.224
186 HB3 MET 24 HB3 MET 24 7.693 1.026 -0.220
187 HG2 MET 24 HG2 MET 24 8.649 2.849 -1.559
188 HG3 MET 24 HG3 MET 24 9.395 3.530 -0.114
189 HE1 MET 24 HE1 MET 24 9.323 0.456 -2.580
190 HE2 MET 24 HE2 MET 24 9.105 -0.332 -1.017
191 HE3 MET 24 HE3 MET 24 10.604 -0.559 -1.920
192 H LEU 25 H LEU 25 4.218 2.945 0.334
193 HA LEU 25 HA LEU 25 3.481 1.405 2.705
194 HB2 LEU 25 HB2 LEU 25 1.765 2.651 0.521
195 HB3 LEU 25 HB3 LEU 25 1.156 1.974 2.028
196 HG LEU 25 HG LEU 25 2.983 4.402 1.813
197 HD11 LEU 25 HD11 LEU 25 0.023 4.268 2.455
198 HD12 LEU 25 HD12 LEU 25 0.742 4.895 0.969
199 HD13 LEU 25 HD13 LEU 25 1.035 5.716 2.499
200 HD21 LEU 25 HD21 LEU 25 2.544 4.699 4.224
201 HD22 LEU 25 HD22 LEU 25 3.372 3.181 3.901
202 HD23 LEU 25 HD23 LEU 25 1.643 3.181 4.254
203 H ALA 26 H ALA 26 2.901 -0.767 2.688
204 HA ALA 26 HA ALA 26 2.752 -2.136 0.049
205 HB1 ALA 26 HB1 ALA 26 4.044 -3.982 1.022
206 HB2 ALA 26 HB2 ALA 26 4.150 -3.116 2.556
207 HB3 ALA 26 HB3 ALA 26 4.938 -2.462 1.120
208 H CYS 27 H CYS 27 1.242 -3.709 -0.221
209 HA CYS 27 HA CYS 27 -0.389 -4.689 2.035
210 HB2 CYS 27 HB2 CYS 27 -1.518 -3.531 -0.554
211 HB3 CYS 27 HB3 CYS 27 -2.470 -4.390 0.655
212 HG CYS 27 HG CYS 27 -3.153 -2.213 1.790
213 H GLU 28 H GLU 28 -0.166 -6.862 1.975
214 HA GLU 28 HA GLU 28 0.090 -8.304 -0.559
215 HB2 GLU 28 HB2 GLU 28 0.401 -9.169 2.335
216 HB3 GLU 28 HB3 GLU 28 0.439 -10.309 0.988
217 HG2 GLU 28 HG2 GLU 28 2.398 -9.229 0.045
218 HG3 GLU 28 HG3 GLU 28 2.316 -7.943 1.244
219 H VAL 29 H VAL 29 -1.416 -9.605 -1.390
220 HA VAL 29 HA VAL 29 -4.112 -9.675 -0.151
221 HB VAL 29 HB VAL 29 -5.018 -9.618 -2.478
222 HG11 VAL 29 HG11 VAL 29 -4.459 -7.256 -3.000
223 HG12 VAL 29 HG12 VAL 29 -3.092 -7.328 -1.885
224 HG13 VAL 29 HG13 VAL 29 -4.739 -7.487 -1.271
225 HG21 VAL 29 HG21 VAL 29 -3.133 -10.663 -3.693
226 HG22 VAL 29 HG22 VAL 29 -2.114 -9.259 -3.359
227 HG23 VAL 29 HG23 VAL 29 -3.531 -9.099 -4.405
228 H ASP 30 H ASP 30 -5.390 -11.564 -0.477
229 HA ASP 30 HA ASP 30 -3.966 -14.071 -0.532
230 HB2 ASP 30 HB2 ASP 30 -6.213 -15.084 -0.155
231 HB3 ASP 30 HB3 ASP 30 -5.850 -13.806 0.989
232 H ARG 31 H ARG 31 -6.092 -12.366 -2.771
233 HA ARG 31 HA ARG 31 -5.639 -14.373 -4.904
234 HB2 ARG 31 HB2 ARG 31 -7.671 -12.131 -4.579
235 HB3 ARG 31 HB3 ARG 31 -7.320 -12.784 -6.171
236 HG2 ARG 31 HG2 ARG 31 -9.342 -13.795 -5.248
237 HG3 ARG 31 HG3 ARG 31 -8.082 -15.012 -5.455
238 HD2 ARG 31 HD2 ARG 31 -7.597 -14.941 -3.050
239 HD3 ARG 31 HD3 ARG 31 -8.782 -13.655 -2.834
240 HE ARG 31 HE ARG 31 -10.522 -15.199 -3.162
241 HH11 ARG 31 HH11 ARG 31 -7.452 -16.810 -3.273
242 HH12 ARG 31 HH12 ARG 31 -8.135 -18.344 -2.878
243 HH21 ARG 31 HH21 ARG 31 -11.339 -17.172 -2.610
244 HH22 ARG 31 HH22 ARG 31 -10.297 -18.545 -2.511
245 H GLU 32 H GLU 32 -3.529 -13.917 -5.428
246 HA GLU 32 HA GLU 32 -2.369 -11.345 -5.637
247 HB2 GLU 32 HB2 GLU 32 -0.435 -12.461 -6.578
248 HB3 GLU 32 HB3 GLU 32 -1.075 -13.416 -5.249
249 HG2 GLU 32 HG2 GLU 32 -2.146 -14.949 -6.887
250 HG3 GLU 32 HG3 GLU 32 -1.452 -14.004 -8.205
251 H ASP 33 H ASP 33 -4.310 -13.125 -7.855
252 HA ASP 33 HA ASP 33 -3.614 -11.853 -10.300
253 HB2 ASP 33 HB2 ASP 33 -6.258 -13.126 -9.475
254 HB3 ASP 33 HB3 ASP 33 -5.724 -12.823 -11.127
255 H ALA 34 H ALA 34 -5.658 -10.898 -7.619
256 HA ALA 34 HA ALA 34 -7.146 -8.852 -9.044
257 HB1 ALA 34 HB1 ALA 34 -8.227 -10.111 -7.232
258 HB2 ALA 34 HB2 ALA 34 -8.172 -8.391 -6.842
259 HB3 ALA 34 HB3 ALA 34 -7.037 -9.508 -6.079
260 HA PRO 35 HA PRO 35 -3.877 -5.735 -8.104
261 HB2 PRO 35 HB2 PRO 35 -4.867 -3.710 -9.619
262 HB3 PRO 35 HB3 PRO 35 -4.079 -5.114 -10.356
263 HG2 PRO 35 HG2 PRO 35 -7.035 -4.594 -9.974
264 HG3 PRO 35 HG3 PRO 35 -6.176 -5.112 -11.444
265 HD2 PRO 35 HD2 PRO 35 -7.452 -6.890 -9.830
266 HD3 PRO 35 HD3 PRO 35 -5.962 -7.317 -10.699
267 H VAL 36 H VAL 36 -3.972 -3.407 -7.290
268 HA VAL 36 HA VAL 36 -6.256 -3.023 -5.434
269 HB VAL 36 HB VAL 36 -4.685 -1.773 -3.948
270 HG11 VAL 36 HG11 VAL 36 -3.837 -4.634 -4.534
271 HG12 VAL 36 HG12 VAL 36 -5.149 -4.129 -3.467
272 HG13 VAL 36 HG13 VAL 36 -3.480 -3.742 -3.052
273 HG21 VAL 36 HG21 VAL 36 -2.507 -2.744 -5.844
274 HG22 VAL 36 HG22 VAL 36 -2.239 -1.932 -4.300
275 HG23 VAL 36 HG23 VAL 36 -3.017 -1.068 -5.626
276 H ARG 37 H ARG 37 -6.961 -0.979 -5.013
277 HA ARG 37 HA ARG 37 -6.409 1.154 -6.980
278 HB2 ARG 37 HB2 ARG 37 -8.870 0.660 -5.220
279 HB3 ARG 37 HB3 ARG 37 -8.648 2.083 -6.224
280 HG2 ARG 37 HG2 ARG 37 -10.145 0.664 -7.408
281 HG3 ARG 37 HG3 ARG 37 -8.599 0.538 -8.246
282 HD2 ARG 37 HD2 ARG 37 -8.166 -1.619 -7.142
283 HD3 ARG 37 HD3 ARG 37 -9.678 -1.477 -6.241
284 HE ARG 37 HE ARG 37 -10.487 -1.334 -8.822
285 HH11 ARG 37 HH11 ARG 37 -8.486 -3.643 -7.181
286 HH12 ARG 37 HH12 ARG 37 -9.053 -4.961 -8.140
287 HH21 ARG 37 HH21 ARG 37 -11.163 -3.032 -10.048
288 HH22 ARG 37 HH22 ARG 37 -10.564 -4.621 -9.729
289 H TRP 38 H TRP 38 -4.920 2.538 -6.099
290 HA TRP 38 HA TRP 38 -4.667 2.840 -3.207
291 HB2 TRP 38 HB2 TRP 38 -3.020 3.890 -5.540
292 HB3 TRP 38 HB3 TRP 38 -2.735 4.437 -3.891
293 HD1 TRP 38 HD1 TRP 38 -1.883 1.615 -6.228
294 HE1 TRP 38 HE1 TRP 38 -0.459 -0.124 -4.983
295 HE3 TRP 38 HE3 TRP 38 -2.506 3.302 -1.432
296 HZ2 TRP 38 HZ2 TRP 38 0.281 -0.734 -2.334
297 HZ3 TRP 38 HZ3 TRP 38 -1.402 2.082 0.404
298 HH2 TRP 38 HH2 TRP 38 -0.033 0.104 -0.041
299 H TYR 39 H TYR 39 -5.339 4.490 -2.042
300 HA TYR 39 HA TYR 39 -6.485 6.917 -3.294
301 HB2 TYR 39 HB2 TYR 39 -7.630 5.341 -0.937
302 HB3 TYR 39 HB3 TYR 39 -8.199 6.940 -1.423
303 HD1 TYR 39 HD2 TYR 39 -9.407 7.236 -3.586
304 HD2 TYR 39 HD1 TYR 39 -8.315 3.352 -2.171
305 HE1 TYR 39 HE2 TYR 39 -10.987 6.207 -5.165
306 HE2 TYR 39 HE1 TYR 39 -9.894 2.331 -3.755
307 HH TYR 39 HH TYR 39 -11.271 4.015 -6.321
308 H LYS 40 H LYS 40 -6.576 8.737 -1.924
309 HA LYS 40 HA LYS 40 -5.124 8.767 0.622
310 HB2 LYS 40 HB2 LYS 40 -3.518 9.438 -1.223
311 HB3 LYS 40 HB3 LYS 40 -4.589 10.769 -1.631
312 HG2 LYS 40 HG2 LYS 40 -4.141 11.851 0.494
313 HG3 LYS 40 HG3 LYS 40 -3.231 10.449 1.068
314 HD2 LYS 40 HD2 LYS 40 -1.677 12.209 0.374
315 HD3 LYS 40 HD3 LYS 40 -1.531 10.824 -0.705
316 HE2 LYS 40 HE2 LYS 40 -1.447 12.855 -2.007
317 HE3 LYS 40 HE3 LYS 40 -2.966 12.032 -2.367
318 HZ1 LYS 40 HZ1 LYS 40 -2.623 14.332 -0.517
319 HZ2 LYS 40 HZ2 LYS 40 -4.087 13.557 -0.856
320 HZ3 LYS 40 HZ3 LYS 40 -3.274 14.401 -2.077
321 H ASP 41 H ASP 41 -5.647 10.942 1.759
322 HA ASP 41 HA ASP 41 -8.327 11.391 2.089
323 HB2 ASP 41 HB2 ASP 41 -6.666 12.149 3.686
324 HB3 ASP 41 HB3 ASP 41 -6.015 13.311 2.538
325 H GLY 42 H GLY 42 -9.662 11.736 0.407
326 HA2 GLY 42 HA2 GLY 42 -11.004 13.235 -0.788
327 HA3 GLY 42 HA3 GLY 42 -9.680 14.377 -0.881
328 H GLN 43 H GLN 43 -7.858 12.198 -1.986
329 HA GLN 43 HA GLN 43 -8.904 12.008 -4.755
330 HB2 GLN 43 HB2 GLN 43 -6.229 13.279 -3.984
331 HB3 GLN 43 HB3 GLN 43 -6.699 12.875 -5.631
332 HG2 GLN 43 HG2 GLN 43 -8.552 14.496 -5.502
333 HG3 GLN 43 HG3 GLN 43 -8.077 14.916 -3.856
334 HE21 GLN 43 HE21 GLN 43 -8.225 16.634 -6.224
335 HE22 GLN 43 HE22 GLN 43 -6.649 17.304 -6.429
336 H GLU 44 H GLU 44 -8.294 10.143 -5.798
337 HA GLU 44 HA GLU 44 -6.784 8.111 -4.463
338 HB2 GLU 44 HB2 GLU 44 -7.142 6.761 -6.476
339 HB3 GLU 44 HB3 GLU 44 -8.631 7.559 -5.989
340 HG2 GLU 44 HG2 GLU 44 -8.234 9.284 -7.750
341 HG3 GLU 44 HG3 GLU 44 -6.824 8.374 -8.286
342 H VAL 45 H VAL 45 -4.798 7.113 -5.197
343 HA VAL 45 HA VAL 45 -2.860 9.107 -6.170
344 HB VAL 45 HB VAL 45 -2.188 6.509 -4.721
345 HG11 VAL 45 HG11 VAL 45 -0.312 7.528 -5.952
346 HG12 VAL 45 HG12 VAL 45 -0.050 7.637 -4.212
347 HG13 VAL 45 HG13 VAL 45 -0.574 9.060 -5.115
348 HG21 VAL 45 HG21 VAL 45 -3.652 7.826 -3.254
349 HG22 VAL 45 HG22 VAL 45 -2.632 9.248 -3.472
350 HG23 VAL 45 HG23 VAL 45 -2.000 7.827 -2.635
351 H GLU 46 H GLU 46 -2.782 8.926 -8.342
352 HA GLU 46 HA GLU 46 -2.195 6.325 -9.648
353 HB2 GLU 46 HB2 GLU 46 -2.703 7.497 -11.758
354 HB3 GLU 46 HB3 GLU 46 -4.037 7.691 -10.623
355 HG2 GLU 46 HG2 GLU 46 -3.164 9.970 -10.051
356 HG3 GLU 46 HG3 GLU 46 -1.915 9.769 -11.277
357 H GLU 47 H GLU 47 -0.433 6.507 -11.448
358 HA GLU 47 HA GLU 47 2.011 7.522 -10.325
359 HB2 GLU 47 HB2 GLU 47 1.489 6.320 -13.080
360 HB3 GLU 47 HB3 GLU 47 3.086 6.726 -12.454
361 HG2 GLU 47 HG2 GLU 47 2.665 5.100 -10.563
362 HG3 GLU 47 HG3 GLU 47 1.187 4.613 -11.392
363 H SER 48 H SER 48 1.605 9.745 -10.114
364 HA SER 48 HA SER 48 1.568 11.454 -12.514
365 HB2 SER 48 HB2 SER 48 0.040 11.950 -10.568
366 HB3 SER 48 HB3 SER 48 1.459 12.224 -9.557
367 HG SER 48 HG SER 48 0.298 13.838 -11.464
368 H ASP 49 H ASP 49 3.111 13.655 -11.587
369 HA ASP 49 HA ASP 49 5.690 12.931 -12.434
370 HB2 ASP 49 HB2 ASP 49 4.679 15.215 -12.612
371 HB3 ASP 49 HB3 ASP 49 4.874 15.419 -10.878
372 H PHE 50 H PHE 50 4.433 13.306 -9.131
373 HA PHE 50 HA PHE 50 7.062 12.620 -7.946
374 HB2 PHE 50 HB2 PHE 50 4.538 13.760 -6.655
375 HB3 PHE 50 HB3 PHE 50 5.988 13.322 -5.767
376 HD1 PHE 50 HD2 PHE 50 4.765 15.610 -8.476
377 HD2 PHE 50 HD1 PHE 50 7.715 14.921 -5.452
378 HE1 PHE 50 HE2 PHE 50 5.639 17.890 -8.796
379 HE2 PHE 50 HE1 PHE 50 8.575 17.203 -5.784
380 HZ PHE 50 HZ PHE 50 7.541 18.688 -7.452
381 H VAL 51 H VAL 51 4.727 10.722 -9.138
382 HA VAL 51 HA VAL 51 4.727 8.854 -6.812
383 HB VAL 51 HB VAL 51 2.362 9.139 -8.718
384 HG11 VAL 51 HG11 VAL 51 1.166 7.733 -7.075
385 HG12 VAL 51 HG12 VAL 51 2.626 7.627 -6.088
386 HG13 VAL 51 HG13 VAL 51 2.595 6.906 -7.698
387 HG21 VAL 51 HG21 VAL 51 1.126 10.249 -6.882
388 HG22 VAL 51 HG22 VAL 51 2.513 11.207 -7.402
389 HG23 VAL 51 HG23 VAL 51 2.598 10.277 -5.908
390 H VAL 52 H VAL 52 5.405 6.807 -7.259
391 HA VAL 52 HA VAL 52 4.828 5.622 -9.918
392 HB VAL 52 HB VAL 52 6.919 4.232 -9.761
393 HG11 VAL 52 HG11 VAL 52 8.501 5.977 -10.501
394 HG12 VAL 52 HG12 VAL 52 7.437 7.227 -9.853
395 HG13 VAL 52 HG13 VAL 52 6.898 6.225 -11.201
396 HG21 VAL 52 HG21 VAL 52 8.770 4.914 -8.246
397 HG22 VAL 52 HG22 VAL 52 7.359 4.375 -7.335
398 HG23 VAL 52 HG23 VAL 52 7.707 6.099 -7.479
399 H LEU 53 H LEU 53 4.120 3.445 -9.861
400 HA LEU 53 HA LEU 53 3.431 2.362 -7.172
401 HB2 LEU 53 HB2 LEU 53 1.787 2.210 -9.736
402 HB3 LEU 53 HB3 LEU 53 1.356 1.446 -8.213
403 HG LEU 53 HG LEU 53 1.571 4.457 -8.641
404 HD11 LEU 53 HD11 LEU 53 -0.878 4.504 -8.510
405 HD12 LEU 53 HD12 LEU 53 -0.919 2.741 -8.421
406 HD13 LEU 53 HD13 LEU 53 -0.327 3.540 -9.879
407 HD21 LEU 53 HD21 LEU 53 0.558 2.911 -6.226
408 HD22 LEU 53 HD22 LEU 53 0.512 4.664 -6.425
409 HD23 LEU 53 HD23 LEU 53 2.061 3.833 -6.318
410 H GLU 54 H GLU 54 4.229 0.379 -6.761
411 HA GLU 54 HA GLU 54 5.261 -1.310 -8.966
412 HB2 GLU 54 HB2 GLU 54 6.076 -1.140 -6.033
413 HB3 GLU 54 HB3 GLU 54 6.741 -2.304 -7.173
414 HG2 GLU 54 HG2 GLU 54 6.983 0.717 -7.421
415 HG3 GLU 54 HG3 GLU 54 8.227 -0.348 -6.770
416 H ASN 55 H ASN 55 3.974 -3.008 -9.457
417 HA ASN 55 HA ASN 55 2.570 -4.476 -7.278
418 HB2 ASN 55 HB2 ASN 55 1.635 -4.043 -10.152
419 HB3 ASN 55 HB3 ASN 55 0.842 -5.109 -8.999
420 HD21 ASN 55 HD21 ASN 55 1.255 -3.196 -6.730
421 HD22 ASN 55 HD22 ASN 55 0.098 -1.949 -7.003
422 H GLU 56 H GLU 56 3.369 -6.454 -6.966
423 HA GLU 56 HA GLU 56 4.428 -8.087 -9.174
424 HB2 GLU 56 HB2 GLU 56 6.355 -6.790 -8.232
425 HB3 GLU 56 HB3 GLU 56 6.014 -7.456 -6.637
426 HG2 GLU 56 HG2 GLU 56 6.525 -9.728 -7.471
427 HG3 GLU 56 HG3 GLU 56 6.853 -9.066 -9.075
428 H GLY 57 H GLY 57 2.836 -9.610 -8.966
429 HA2 GLY 57 HA2 GLY 57 1.663 -11.412 -8.189
430 HA3 GLY 57 HA3 GLY 57 2.939 -11.622 -7.003
431 HA PRO 58 HA PRO 58 -0.552 -10.498 -4.209
432 HB2 PRO 58 HB2 PRO 58 0.630 -11.345 -1.877
433 HB3 PRO 58 HB3 PRO 58 -0.187 -12.444 -2.997
434 HG2 PRO 58 HG2 PRO 58 2.756 -11.872 -2.710
435 HG3 PRO 58 HG3 PRO 58 1.936 -13.435 -2.913
436 HD2 PRO 58 HD2 PRO 58 3.148 -12.141 -4.985
437 HD3 PRO 58 HD3 PRO 58 1.714 -13.164 -5.215
438 H HIS 59 H HIS 59 2.824 -9.499 -4.165
439 HA HIS 59 HA HIS 59 2.547 -7.541 -2.044
440 HB2 HIS 59 HB2 HIS 59 4.816 -8.217 -3.947
441 HB3 HIS 59 HB3 HIS 59 4.918 -6.897 -2.789
442 HD1 HIS 59 HD1 HIS 59 6.190 -7.580 -0.800
443 HD2 HIS 59 HD2 HIS 59 4.006 -10.755 -2.343
444 HE1 HIS 59 HE1 HIS 59 6.657 -9.509 0.720
445 HE2 HIS 59 HE2 HIS 59 5.165 -11.347 -0.108
446 H ARG 60 H ARG 60 1.173 -5.951 -2.517
447 HA ARG 60 HA ARG 60 1.394 -4.363 -5.015
448 HB2 ARG 60 HB2 ARG 60 -0.852 -4.485 -2.950
449 HB3 ARG 60 HB3 ARG 60 -0.903 -3.621 -4.481
450 HG2 ARG 60 HG2 ARG 60 -0.726 -6.639 -4.190
451 HG3 ARG 60 HG3 ARG 60 -2.211 -5.733 -4.479
452 HD2 ARG 60 HD2 ARG 60 -1.103 -4.853 -6.609
453 HD3 ARG 60 HD3 ARG 60 0.157 -6.066 -6.340
454 HE ARG 60 HE ARG 60 -2.542 -7.111 -6.339
455 HH11 ARG 60 HH11 ARG 60 0.249 -6.521 -8.300
456 HH12 ARG 60 HH12 ARG 60 -0.318 -7.522 -9.580
457 HH21 ARG 60 HH21 ARG 60 -3.239 -8.354 -8.001
458 HH22 ARG 60 HH22 ARG 60 -2.264 -8.543 -9.413
459 H ARG 61 H ARG 61 2.843 -2.668 -4.584
460 HA ARG 61 HA ARG 61 2.496 -1.158 -2.057
461 HB2 ARG 61 HB2 ARG 61 5.033 -0.779 -2.098
462 HB3 ARG 61 HB3 ARG 61 4.458 -2.372 -1.629
463 HG2 ARG 61 HG2 ARG 61 5.024 -3.273 -3.830
464 HG3 ARG 61 HG3 ARG 61 5.510 -1.670 -4.387
465 HD2 ARG 61 HD2 ARG 61 7.444 -3.135 -3.754
466 HD3 ARG 61 HD3 ARG 61 7.377 -1.624 -2.842
467 HE ARG 61 HE ARG 61 6.060 -3.703 -1.427
468 HH11 ARG 61 HH11 ARG 61 9.284 -2.752 -2.250
469 HH12 ARG 61 HH12 ARG 61 9.941 -3.375 -0.780
470 HH21 ARG 61 HH21 ARG 61 6.948 -4.494 0.436
471 HH22 ARG 61 HH22 ARG 61 8.650 -4.353 0.701
472 H LEU 62 H LEU 62 2.518 0.950 -2.069
473 HA LEU 62 HA LEU 62 2.812 2.571 -4.485
474 HB2 LEU 62 HB2 LEU 62 0.917 2.801 -2.803
475 HB3 LEU 62 HB3 LEU 62 2.077 3.368 -1.625
476 HG LEU 62 HG LEU 62 1.500 4.855 -4.231
477 HD11 LEU 62 HD11 LEU 62 0.219 5.319 -1.516
478 HD12 LEU 62 HD12 LEU 62 -0.585 4.685 -2.953
479 HD13 LEU 62 HD13 LEU 62 0.019 6.338 -2.945
480 HD21 LEU 62 HD21 LEU 62 3.618 5.531 -3.189
481 HD22 LEU 62 HD22 LEU 62 2.796 5.820 -1.654
482 HD23 LEU 62 HD23 LEU 62 2.429 6.823 -3.062
483 H VAL 63 H VAL 63 4.738 3.627 -4.918
484 HA VAL 63 HA VAL 63 6.682 4.053 -2.704
485 HB VAL 63 HB VAL 63 7.328 3.661 -5.668
486 HG11 VAL 63 HG11 VAL 63 9.696 3.553 -4.953
487 HG12 VAL 63 HG12 VAL 63 9.216 3.900 -3.290
488 HG13 VAL 63 HG13 VAL 63 8.975 5.111 -4.551
489 HG21 VAL 63 HG21 VAL 63 7.726 1.702 -3.368
490 HG22 VAL 63 HG22 VAL 63 8.277 1.465 -5.028
491 HG23 VAL 63 HG23 VAL 63 6.551 1.543 -4.676
492 H LEU 64 H LEU 64 6.618 6.157 -2.130
493 HA LEU 64 HA LEU 64 6.134 8.266 -4.150
494 HB2 LEU 64 HB2 LEU 64 4.850 7.896 -1.768
495 HB3 LEU 64 HB3 LEU 64 6.146 8.932 -1.217
496 HG LEU 64 HG LEU 64 4.243 10.330 -1.659
497 HD11 LEU 64 HD11 LEU 64 6.352 11.336 -2.342
498 HD12 LEU 64 HD12 LEU 64 5.041 11.889 -3.379
499 HD13 LEU 64 HD13 LEU 64 6.181 10.669 -3.970
500 HD21 LEU 64 HD21 LEU 64 4.072 9.108 -4.431
501 HD22 LEU 64 HD22 LEU 64 3.053 10.407 -3.803
502 HD23 LEU 64 HD23 LEU 64 2.971 8.802 -3.085
503 HA PRO 65 HA PRO 65 10.758 8.830 -4.082
504 HB2 PRO 65 HB2 PRO 65 9.680 11.219 -5.610
505 HB3 PRO 65 HB3 PRO 65 11.114 10.232 -5.941
506 HG2 PRO 65 HG2 PRO 65 8.873 9.821 -7.320
507 HG3 PRO 65 HG3 PRO 65 9.848 8.447 -6.772
508 HD2 PRO 65 HD2 PRO 65 7.236 9.432 -5.722
509 HD3 PRO 65 HD3 PRO 65 7.883 7.781 -5.769
510 H ALA 66 H ALA 66 8.709 11.785 -3.784
511 HA ALA 66 HA ALA 66 10.195 12.590 -1.344
512 HB1 ALA 66 HB1 ALA 66 10.140 14.943 -2.119
513 HB2 ALA 66 HB2 ALA 66 9.409 14.430 -3.642
514 HB3 ALA 66 HB3 ALA 66 11.048 13.921 -3.233
515 H THR 67 H THR 67 8.543 11.979 0.060
516 HA THR 67 HA THR 67 5.762 12.398 -0.551
517 HB THR 67 HB THR 67 6.843 11.565 2.172
518 HG1 THR 67 HG1 THR 67 7.720 10.044 0.900
519 HG21 THR 67 HG21 THR 67 4.696 10.333 2.342
520 HG22 THR 67 HG22 THR 67 4.217 10.930 0.754
521 HG23 THR 67 HG23 THR 67 4.405 12.056 2.098
522 H GLN 68 H GLN 68 5.348 14.508 -0.727
523 HA GLN 68 HA GLN 68 6.070 16.591 1.086
524 HB2 GLN 68 HB2 GLN 68 3.915 16.454 -1.075
525 HB3 GLN 68 HB3 GLN 68 4.497 17.938 -0.322
526 HG2 GLN 68 HG2 GLN 68 6.684 17.675 -1.317
527 HG3 GLN 68 HG3 GLN 68 6.292 16.054 -1.883
528 HE21 GLN 68 HE21 GLN 68 5.751 19.472 -2.415
529 HE22 GLN 68 HE22 GLN 68 5.130 19.313 -4.017
530 HA PRO 69 HA PRO 69 3.003 16.280 4.375
531 HB2 PRO 69 HB2 PRO 69 2.363 19.192 3.901
532 HB3 PRO 69 HB3 PRO 69 2.806 18.366 5.403
533 HG2 PRO 69 HG2 PRO 69 4.592 19.876 4.135
534 HG3 PRO 69 HG3 PRO 69 5.088 18.334 4.867
535 HD2 PRO 69 HD2 PRO 69 4.573 18.986 1.969
536 HD3 PRO 69 HD3 PRO 69 5.842 17.970 2.687
537 H SER 70 H SER 70 1.934 18.092 1.532
538 HA SER 70 HA SER 70 -0.888 17.649 1.831
539 HB2 SER 70 HB2 SER 70 -0.930 18.591 -0.540
540 HB3 SER 70 HB3 SER 70 -0.138 19.616 0.655
541 HG SER 70 HG SER 70 1.063 18.007 -1.349
542 H ASP 71 H ASP 71 1.728 15.941 0.218
543 HA ASP 71 HA ASP 71 -0.102 14.055 -1.123
544 HB2 ASP 71 HB2 ASP 71 2.911 14.437 -1.376
545 HB3 ASP 71 HB3 ASP 71 1.955 13.282 -2.309
546 H GLY 72 H GLY 72 1.182 14.275 1.855
547 HA2 GLY 72 HA2 GLY 72 1.423 11.348 2.262
548 HA3 GLY 72 HA3 GLY 72 1.908 12.599 3.397
549 H GLY 73 H GLY 73 0.682 11.804 5.142
550 HA2 GLY 73 HA2 GLY 73 -1.174 11.949 6.522
551 HA3 GLY 73 HA3 GLY 73 -2.106 12.599 5.185
552 H GLU 74 H GLU 74 -3.923 11.305 5.269
553 HA GLU 74 HA GLU 74 -3.771 8.486 5.959
554 HB2 GLU 74 HB2 GLU 74 -6.165 10.226 5.240
555 HB3 GLU 74 HB3 GLU 74 -6.248 8.608 5.937
556 HG2 GLU 74 HG2 GLU 74 -5.192 9.401 7.997
557 HG3 GLU 74 HG3 GLU 74 -4.972 11.007 7.301
558 H PHE 75 H PHE 75 -3.651 6.853 4.540
559 HA PHE 75 HA PHE 75 -4.560 7.137 1.727
560 HB2 PHE 75 HB2 PHE 75 -2.297 5.436 2.874
561 HB3 PHE 75 HB3 PHE 75 -2.903 5.261 1.233
562 HD1 PHE 75 HD2 PHE 75 -1.295 7.732 3.544
563 HD2 PHE 75 HD1 PHE 75 -2.006 6.591 -0.513
564 HE1 PHE 75 HE2 PHE 75 0.332 9.406 2.781
565 HE2 PHE 75 HE1 PHE 75 -0.369 8.266 -1.265
566 HZ PHE 75 HZ PHE 75 0.803 9.674 0.380
567 H GLN 76 H GLN 76 -5.338 5.136 0.713
568 HA GLN 76 HA GLN 76 -6.236 2.925 2.433
569 HB2 GLN 76 HB2 GLN 76 -8.142 4.487 2.467
570 HB3 GLN 76 HB3 GLN 76 -8.143 4.572 0.709
571 HG2 GLN 76 HG2 GLN 76 -8.720 2.134 0.630
572 HG3 GLN 76 HG3 GLN 76 -8.810 2.132 2.392
573 HE21 GLN 76 HE21 GLN 76 -10.328 3.252 -0.552
574 HE22 GLN 76 HE22 GLN 76 -11.844 3.671 0.152
575 H CYS 77 H CYS 77 -5.811 1.041 1.438
576 HA CYS 77 HA CYS 77 -5.405 0.925 -1.506
577 HB2 CYS 77 HB2 CYS 77 -3.427 0.351 -0.132
578 HB3 CYS 77 HB3 CYS 77 -4.347 -0.901 0.693
579 HG CYS 77 HG CYS 77 -2.654 -1.063 -2.112
580 H VAL 78 H VAL 78 -7.227 0.127 -2.505
581 HA VAL 78 HA VAL 78 -8.897 -1.902 -1.135
582 HB VAL 78 HB VAL 78 -9.606 -0.156 -3.536
583 HG11 VAL 78 HG11 VAL 78 -10.844 -2.278 -3.603
584 HG12 VAL 78 HG12 VAL 78 -11.936 -0.957 -3.187
585 HG13 VAL 78 HG13 VAL 78 -11.365 -2.058 -1.929
586 HG21 VAL 78 HG21 VAL 78 -9.391 1.182 -1.479
587 HG22 VAL 78 HG22 VAL 78 -10.488 0.089 -0.632
588 HG23 VAL 78 HG23 VAL 78 -11.081 1.072 -1.972
589 H ALA 79 H ALA 79 -8.046 -3.894 -1.630
590 HA ALA 79 HA ALA 79 -7.452 -4.678 -4.387
591 HB1 ALA 79 HB1 ALA 79 -6.946 -6.883 -3.443
592 HB2 ALA 79 HB2 ALA 79 -7.552 -6.368 -1.865
593 HB3 ALA 79 HB3 ALA 79 -6.113 -5.612 -2.549
594 H GLY 80 H GLY 80 -9.332 -4.592 -5.564
595 HA2 GLY 80 HA2 GLY 80 -11.276 -5.345 -6.496
596 HA3 GLY 80 HA3 GLY 80 -11.218 -6.704 -5.385
597 H ASP 81 H ASP 81 -12.057 -6.360 -3.200
598 HA ASP 81 HA ASP 81 -14.097 -4.233 -2.968
599 HB2 ASP 81 HB2 ASP 81 -15.124 -6.412 -3.650
600 HB3 ASP 81 HB3 ASP 81 -14.455 -7.170 -2.212
601 H GLU 82 H GLU 82 -11.559 -6.034 -1.417
602 HA GLU 82 HA GLU 82 -12.305 -5.154 1.292
603 HB2 GLU 82 HB2 GLU 82 -11.405 -7.484 0.845
604 HB3 GLU 82 HB3 GLU 82 -9.855 -6.764 0.435
605 HG2 GLU 82 HG2 GLU 82 -9.861 -7.647 2.725
606 HG3 GLU 82 HG3 GLU 82 -9.618 -5.901 2.710
607 H CYS 83 H CYS 83 -10.928 -3.767 2.588
608 HA CYS 83 HA CYS 83 -8.975 -2.127 1.065
609 HB2 CYS 83 HB2 CYS 83 -9.959 -0.061 2.088
610 HB3 CYS 83 HB3 CYS 83 -11.058 -0.887 0.989
611 HG CYS 83 HG CYS 83 -12.107 0.285 3.527
612 H ALA 84 H ALA 84 -7.097 -2.035 2.065
613 HA ALA 84 HA ALA 84 -6.796 -2.176 4.987
614 HB1 ALA 84 HB1 ALA 84 -4.695 -2.055 2.786
615 HB2 ALA 84 HB2 ALA 84 -5.264 -3.518 3.589
616 HB3 ALA 84 HB3 ALA 84 -4.376 -2.301 4.507
617 H TYR 85 H TYR 85 -5.371 -0.480 6.051
618 HA TYR 85 HA TYR 85 -5.827 2.225 4.900
619 HB2 TYR 85 HB2 TYR 85 -6.476 1.307 7.733
620 HB3 TYR 85 HB3 TYR 85 -6.501 2.985 7.210
621 HD1 TYR 85 HD2 TYR 85 -8.307 3.819 5.727
622 HD2 TYR 85 HD1 TYR 85 -8.286 -0.249 7.054
623 HE1 TYR 85 HE2 TYR 85 -10.654 3.578 5.037
624 HE2 TYR 85 HE1 TYR 85 -10.636 -0.479 6.358
625 HH TYR 85 HH TYR 85 -12.569 0.863 5.933
626 H PHE 86 H PHE 86 -4.386 3.837 5.444
627 HA PHE 86 HA PHE 86 -2.060 3.262 7.187
628 HB2 PHE 86 HB2 PHE 86 -1.859 4.469 4.385
629 HB3 PHE 86 HB3 PHE 86 -0.525 4.292 5.519
630 HD1 PHE 86 HD2 PHE 86 0.227 1.947 6.179
631 HD2 PHE 86 HD1 PHE 86 -2.462 2.662 2.927
632 HE1 PHE 86 HE2 PHE 86 0.728 -0.283 5.267
633 HE2 PHE 86 HE1 PHE 86 -1.958 0.428 2.030
634 HZ PHE 86 HZ PHE 86 -0.361 -1.044 3.196
635 H THR 87 H THR 87 -1.181 5.107 8.205
636 HA THR 87 HA THR 87 -2.308 7.774 7.571
637 HB THR 87 HB THR 87 -1.962 6.728 10.426
638 HG1 THR 87 HG1 THR 87 -4.425 7.335 10.161
639 HG21 THR 87 HG21 THR 87 -3.058 8.840 11.112
640 HG22 THR 87 HG22 THR 87 -3.088 9.378 9.433
641 HG23 THR 87 HG23 THR 87 -1.543 9.166 10.258
642 H VAL 88 H VAL 88 -0.521 8.707 6.740
643 HA VAL 88 HA VAL 88 2.156 8.128 7.754
644 HB VAL 88 HB VAL 88 1.274 9.718 5.296
645 HG11 VAL 88 HG11 VAL 88 3.631 9.527 4.536
646 HG12 VAL 88 HG12 VAL 88 4.065 8.791 6.081
647 HG13 VAL 88 HG13 VAL 88 3.495 10.460 6.028
648 HG21 VAL 88 HG21 VAL 88 0.670 7.334 5.135
649 HG22 VAL 88 HG22 VAL 88 2.335 6.869 5.497
650 HG23 VAL 88 HG23 VAL 88 1.963 7.726 3.999
651 H THR 89 H THR 89 2.763 9.306 9.453
652 HA THR 89 HA THR 89 1.600 11.887 10.099
653 HB THR 89 HB THR 89 3.687 10.278 11.653
654 HG1 THR 89 HG1 THR 89 0.833 10.265 11.790
655 HG21 THR 89 HG21 THR 89 1.805 12.497 12.572
656 HG22 THR 89 HG22 THR 89 3.556 12.634 12.403
657 HG23 THR 89 HG23 THR 89 2.873 11.557 13.618
658 H ILE 90 H ILE 90 2.434 13.516 8.841
659 HA ILE 90 HA ILE 90 5.382 13.936 8.728
660 HB ILE 90 HB ILE 90 3.278 14.985 6.772
661 HG12 ILE 90 HG12 ILE 90 5.246 12.664 6.409
662 HG13 ILE 90 HG13 ILE 90 3.496 12.524 6.543
663 HG21 ILE 90 HG21 ILE 90 6.320 15.085 6.589
664 HG22 ILE 90 HG22 ILE 90 5.257 16.452 6.931
665 HG23 ILE 90 HG23 ILE 90 5.192 15.660 5.357
666 HD11 ILE 90 HD11 ILE 90 3.266 13.772 4.422
667 HD12 ILE 90 HD12 ILE 90 4.178 12.273 4.260
668 HD13 ILE 90 HD13 ILE 90 5.029 13.815 4.290
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