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 |
|
|
570919 |
2mhy   |
19660 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H LEU 1 1.807 0.000 0.855
2 HA LEU 1 HA LEU 1 1.412 0.219 -2.051
3 HB2 LEU 1 2HB LEU 1 3.004 1.685 -0.322
4 HB3 LEU 1 3HB LEU 1 4.133 0.581 -1.104
5 HG LEU 1 HG LEU 1 3.988 2.777 -2.220
6 HD11 LEU 1 1HD1 LEU 1 2.797 0.880 -4.165
7 HD12 LEU 1 2HD1 LEU 1 4.292 0.405 -3.360
8 HD13 LEU 1 3HD1 LEU 1 4.233 1.895 -4.302
9 HD21 LEU 1 3HD2 LEU 1 2.053 3.583 -3.227
10 HD22 LEU 1 1HD2 LEU 1 1.476 2.962 -1.680
11 HD23 LEU 1 2HD2 LEU 1 1.242 2.018 -3.151
12 H GLN 2 H GLN 2 2.639 -1.080 -3.467
13 HA GLN 2 HA GLN 2 3.950 -3.410 -2.247
14 HB2 GLN 2 2HB GLN 2 1.603 -3.351 -4.027
15 HB3 GLN 2 3HB GLN 2 2.854 -4.495 -4.492
16 HG2 GLN 2 2HG GLN 2 2.771 -5.367 -2.132
17 HG3 GLN 2 3HG GLN 2 1.328 -4.379 -1.909
18 HE21 GLN 2 1HE2 GLN 2 2.656 -6.714 -4.231
19 HE22 GLN 2 2HE2 GLN 2 1.177 -7.575 -4.470
20 H CYS 3 H CYS 3 5.585 -4.388 -3.495
21 HA CYS 3 HA CYS 3 6.415 -2.926 -5.904
22 HB2 CYS 3 2HB CYS 3 8.384 -3.810 -3.798
23 HB3 CYS 3 3HB CYS 3 8.670 -2.748 -5.173
24 H ASN 4 H ASN 4 7.763 -4.121 -7.347
25 HA ASN 4 HA ASN 4 7.122 -6.932 -7.378
26 HB2 ASN 4 2HB ASN 4 8.681 -5.187 -9.293
27 HB3 ASN 4 3HB ASN 4 8.354 -6.896 -9.567
28 HD21 ASN 4 1HD2 ASN 4 6.779 -3.795 -8.971
29 HD22 ASN 4 2HD2 ASN 4 5.351 -4.145 -9.879
30 H THR 5 H THR 5 8.735 -8.610 -7.702
31 HA THR 5 HA THR 5 11.285 -7.992 -6.357
32 HB THR 5 HB THR 5 11.283 -10.159 -5.326
33 HG1 THR 5 HG1 THR 5 9.774 -11.704 -5.795
34 HG21 THR 5 3HG2 THR 5 9.376 -9.992 -3.848
35 HG22 THR 5 1HG2 THR 5 8.520 -8.982 -5.012
36 HG23 THR 5 2HG2 THR 5 9.970 -8.372 -4.214
37 H LEU 6 H LEU 6 13.109 -9.312 -6.965
38 HA LEU 6 HA LEU 6 13.342 -9.642 -9.764
39 HB2 LEU 6 2HB LEU 6 15.564 -10.185 -9.385
40 HB3 LEU 6 3HB LEU 6 15.160 -9.131 -8.032
41 HG LEU 6 HG LEU 6 15.239 -12.142 -7.872
42 HD11 LEU 6 1HD1 LEU 6 17.459 -11.849 -8.011
43 HD12 LEU 6 2HD1 LEU 6 17.304 -11.262 -6.355
44 HD13 LEU 6 3HD1 LEU 6 17.356 -10.117 -7.695
45 HD21 LEU 6 3HD2 LEU 6 15.511 -11.365 -5.369
46 HD22 LEU 6 1HD2 LEU 6 13.918 -11.532 -6.108
47 HD23 LEU 6 2HD2 LEU 6 14.657 -9.938 -5.959
48 H ASP 7 H ASP 7 12.342 -11.749 -7.229
49 HA ASP 7 HA ASP 7 12.858 -14.202 -8.628
50 HB2 ASP 7 2HB ASP 7 12.708 -13.982 -6.122
51 HB3 ASP 7 3HB ASP 7 10.970 -13.765 -6.310
52 H GLY 8 H GLY 8 10.669 -11.774 -9.126
53 HA2 GLY 8 2HA GLY 8 9.062 -11.806 -10.854
54 HA3 GLY 8 3HA GLY 8 8.969 -13.555 -10.703
55 H GLY 9 H GLY 9 8.864 -12.692 -7.624
56 HA2 GLY 9 2HA GLY 9 5.950 -12.816 -7.563
57 HA3 GLY 9 3HA GLY 9 7.031 -13.038 -6.195
58 H THR 10 H THR 10 5.016 -11.574 -5.543
59 HA THR 10 HA THR 10 5.809 -8.759 -5.888
60 HB THR 10 HB THR 10 3.425 -8.367 -4.918
61 HG1 THR 10 HG1 THR 10 2.027 -10.047 -5.134
62 HG21 THR 10 3HG2 THR 10 3.779 -9.469 -7.707
63 HG22 THR 10 1HG2 THR 10 4.118 -7.812 -7.211
64 HG23 THR 10 2HG2 THR 10 2.466 -8.427 -7.161
65 H GLU 11 H GLU 11 6.034 -7.425 -4.105
66 HA GLU 11 HA GLU 11 5.918 -8.732 -1.470
67 HB2 GLU 11 2HB GLU 11 7.955 -7.424 -0.847
68 HB3 GLU 11 3HB GLU 11 8.239 -8.662 -2.062
69 HG2 GLU 11 2HG GLU 11 8.340 -7.043 -3.802
70 HG3 GLU 11 3HG GLU 11 7.785 -5.765 -2.722
71 H GLU 12 H GLU 12 5.354 -7.429 0.277
72 HA GLU 12 HA GLU 12 3.860 -5.045 -0.448
73 HB2 GLU 12 2HB GLU 12 2.990 -5.147 1.843
74 HB3 GLU 12 3HB GLU 12 2.800 -6.687 1.016
75 HG2 GLU 12 2HG GLU 12 4.890 -7.455 2.160
76 HG3 GLU 12 3HG GLU 12 4.832 -5.972 3.111
77 H CYS 13 H CYS 13 4.674 -3.072 -0.301
78 HA CYS 13 HA CYS 13 7.060 -2.646 1.359
79 HB2 CYS 13 2HB CYS 13 5.955 -1.094 -0.988
80 HB3 CYS 13 3HB CYS 13 7.328 -0.561 -0.023
81 H ILE 14 H ILE 14 6.646 -1.835 3.300
82 HA ILE 14 HA ILE 14 4.234 -0.370 3.860
83 HB ILE 14 HB ILE 14 5.108 -0.200 6.156
84 HG12 ILE 14 2HG1 ILE 14 7.520 -1.638 5.028
85 HG13 ILE 14 3HG1 ILE 14 7.492 0.022 5.613
86 HG21 ILE 14 1HG2 ILE 14 5.637 -3.027 5.447
87 HG22 ILE 14 2HG2 ILE 14 4.573 -2.346 6.676
88 HG23 ILE 14 3HG2 ILE 14 4.074 -2.353 4.985
89 HD11 ILE 14 3HD1 ILE 14 6.922 -2.402 7.300
90 HD12 ILE 14 1HD1 ILE 14 8.471 -1.564 7.218
91 HD13 ILE 14 2HD1 ILE 14 7.051 -0.733 7.853
92 HA PRO 15 HA PRO 15 5.738 3.705 3.148
93 HB2 PRO 15 2HB PRO 15 4.054 5.077 4.777
94 HB3 PRO 15 3HB PRO 15 3.541 4.370 3.240
95 HG2 PRO 15 2HG PRO 15 3.200 3.311 6.020
96 HG3 PRO 15 3HG PRO 15 2.036 3.340 4.683
97 HD2 PRO 15 2HD PRO 15 3.438 1.121 5.346
98 HD3 PRO 15 3HD PRO 15 2.955 1.482 3.676
99 H GLY 16 H GLY 16 5.724 2.247 6.285
100 HA2 GLY 16 2HA GLY 16 6.873 4.355 7.779
101 HA3 GLY 16 3HA GLY 16 6.933 2.649 8.196
102 H ILE 17 H ILE 17 8.214 2.216 5.445
103 HA ILE 17 HA ILE 17 10.849 3.389 5.916
104 HB ILE 17 HB ILE 17 10.516 0.417 5.519
105 HG12 ILE 17 2HG1 ILE 17 11.153 1.943 8.054
106 HG13 ILE 17 3HG1 ILE 17 9.658 1.074 7.725
107 HG21 ILE 17 1HG2 ILE 17 12.892 0.331 6.064
108 HG22 ILE 17 2HG2 ILE 17 12.600 1.363 4.665
109 HG23 ILE 17 3HG2 ILE 17 12.922 2.085 6.242
110 HD11 ILE 17 3HD1 ILE 17 11.589 -0.836 7.321
111 HD12 ILE 17 1HD1 ILE 17 12.213 0.094 8.684
112 HD13 ILE 17 2HD1 ILE 17 10.609 -0.635 8.773
113 H TYR 18 H TYR 18 9.496 0.792 3.879
114 HA TYR 18 HA TYR 18 10.914 1.669 1.572
115 HB2 TYR 18 2HB TYR 18 8.532 -0.189 1.648
116 HB3 TYR 18 3HB TYR 18 9.772 -0.094 0.402
117 HD1 TYR 18 HD2 TYR 18 12.219 0.015 2.086
118 HD2 TYR 18 HD1 TYR 18 8.721 -2.382 2.437
119 HE1 TYR 18 HE2 TYR 18 13.526 -1.712 3.252
120 HE2 TYR 18 HE1 TYR 18 10.019 -4.115 3.605
121 HH TYR 18 HH TYR 18 13.344 -4.223 3.621
122 H ASN 19 H ASN 19 10.440 3.616 0.747
123 HA ASN 19 HA ASN 19 7.610 4.201 0.164
124 HB2 ASN 19 2HB ASN 19 8.625 6.661 0.118
125 HB3 ASN 19 3HB ASN 19 8.075 5.915 1.616
126 HD21 ASN 19 1HD2 ASN 19 11.017 5.612 -0.346
127 HD22 ASN 19 2HD2 ASN 19 12.115 5.952 0.944
128 H VAL 20 H VAL 20 10.662 3.589 -1.117
129 HA VAL 20 HA VAL 20 9.912 4.803 -3.698
130 HB VAL 20 HB VAL 20 12.328 4.728 -4.270
131 HG11 VAL 20 1HG1 VAL 20 12.920 6.469 -2.321
132 HG12 VAL 20 2HG1 VAL 20 11.855 6.860 -3.672
133 HG13 VAL 20 3HG1 VAL 20 11.171 6.388 -2.117
134 HG21 VAL 20 3HG2 VAL 20 13.971 4.038 -2.827
135 HG22 VAL 20 1HG2 VAL 20 12.996 4.357 -1.392
136 HG23 VAL 20 2HG2 VAL 20 12.674 2.930 -2.379
137 H CYS 21 H CYS 21 11.070 3.592 -5.573
138 HA CYS 21 HA CYS 21 11.375 0.750 -5.209
139 HB2 CYS 21 2HB CYS 21 9.571 0.251 -6.938
140 HB3 CYS 21 3HB CYS 21 9.011 0.693 -5.328
141 H VAL 22 H VAL 22 12.517 -0.197 -6.852
142 HA VAL 22 HA VAL 22 13.068 1.418 -9.244
143 HB VAL 22 HB VAL 22 15.062 0.317 -7.305
144 HG11 VAL 22 1HG1 VAL 22 16.760 0.719 -9.211
145 HG12 VAL 22 2HG1 VAL 22 15.862 -0.800 -9.179
146 HG13 VAL 22 3HG1 VAL 22 15.375 0.491 -10.278
147 HG21 VAL 22 3HG2 VAL 22 16.051 2.441 -7.463
148 HG22 VAL 22 1HG2 VAL 22 15.217 2.811 -8.972
149 HG23 VAL 22 2HG2 VAL 22 14.316 2.755 -7.457
150 H HIS 23 H HIS 23 13.269 0.287 -11.116
151 HA HIS 23 HA HIS 23 13.191 -2.652 -10.930
152 HB2 HIS 23 2HB HIS 23 10.982 -1.963 -11.543
153 HB3 HIS 23 3HB HIS 23 11.602 -0.835 -12.745
154 HD1 HIS 23 HD1 HIS 23 10.159 -2.027 -14.562
155 HD2 HIS 23 HD2 HIS 23 13.068 -4.423 -12.811
156 HE1 HIS 23 HE1 HIS 23 10.346 -4.050 -16.044
157 H TYR 24 H TYR 24 14.983 -3.477 -11.762
158 HA TYR 24 HA TYR 24 16.369 -2.017 -13.899
159 HB2 TYR 24 2HB TYR 24 17.621 -2.606 -11.805
160 HB3 TYR 24 3HB TYR 24 17.417 -4.304 -12.222
161 HD1 TYR 24 HD2 TYR 24 18.326 -5.038 -14.540
162 HD2 TYR 24 HD1 TYR 24 19.477 -1.440 -12.581
163 HE1 TYR 24 HE2 TYR 24 20.364 -4.949 -15.913
164 HE2 TYR 24 HE1 TYR 24 21.518 -1.341 -13.950
165 HH TYR 24 HH TYR 24 22.876 -3.656 -15.399
166 H LYS 25 H LYS 25 15.987 -2.677 -15.896
167 HA LYS 25 HA LYS 25 15.638 -5.560 -16.388
168 HB2 LYS 25 2HB LYS 25 13.565 -3.940 -16.595
169 HB3 LYS 25 3HB LYS 25 14.295 -3.551 -18.147
170 HG2 LYS 25 2HG LYS 25 13.881 -6.409 -17.421
171 HG3 LYS 25 3HG LYS 25 12.502 -5.440 -17.944
172 HD2 LYS 25 2HD LYS 25 13.328 -5.170 -20.071
173 HD3 LYS 25 3HD LYS 25 15.006 -5.360 -19.559
174 HE2 LYS 25 2HE LYS 25 14.474 -7.777 -19.100
175 HE3 LYS 25 3HE LYS 25 12.922 -7.509 -19.891
176 HZ1 LYS 25 3HZ LYS 25 15.278 -6.664 -21.370
177 HZ2 LYS 25 1HZ LYS 25 13.867 -7.421 -21.918
178 HZ3 LYS 25 2HZ LYS 25 15.084 -8.334 -21.179
179 H SER 26 H SER 26 17.289 -6.295 -17.536
180 HA SER 26 HA SER 26 18.308 -4.659 -19.754
181 HB2 SER 26 2HB SER 26 19.898 -5.955 -17.552
182 HB3 SER 26 3HB SER 26 20.619 -5.648 -19.132
183 HG SER 26 HG SER 26 20.865 -3.664 -18.525
184 H GLU 27 H GLU 27 19.498 -5.919 -21.375
185 HA GLU 27 HA GLU 27 18.105 -8.345 -21.984
186 HB2 GLU 27 2HB GLU 27 19.258 -8.309 -24.064
187 HB3 GLU 27 3HB GLU 27 18.872 -6.638 -23.674
188 HG2 GLU 27 2HG GLU 27 21.221 -6.481 -22.720
189 HG3 GLU 27 3HG GLU 27 21.530 -8.018 -23.525
190 H ASP 28 H ASP 28 20.894 -7.609 -20.216
191 HA ASP 28 HA ASP 28 22.012 -10.299 -20.591
192 HB2 ASP 28 2HB ASP 28 23.310 -7.923 -20.579
193 HB3 ASP 28 3HB ASP 28 23.437 -8.354 -18.876
194 H GLU 29 H GLU 29 20.378 -8.263 -18.324
195 HA GLU 29 HA GLU 29 19.974 -10.479 -16.538
196 HB2 GLU 29 2HB GLU 29 20.991 -9.570 -14.583
197 HB3 GLU 29 3HB GLU 29 22.208 -9.547 -15.851
198 HG2 GLU 29 2HG GLU 29 21.265 -7.099 -16.199
199 HG3 GLU 29 3HG GLU 29 20.823 -7.301 -14.505
200 H GLU 30 H GLU 30 18.564 -9.837 -14.669
201 HA GLU 30 HA GLU 30 17.119 -7.351 -14.916
202 HB2 GLU 30 2HB GLU 30 16.043 -8.729 -16.647
203 HB3 GLU 30 3HB GLU 30 15.707 -9.971 -15.449
204 HG2 GLU 30 2HG GLU 30 14.216 -8.511 -14.269
205 HG3 GLU 30 3HG GLU 30 14.644 -7.160 -15.316
206 H TYR 31 H TYR 31 16.622 -6.701 -12.934
207 HA TYR 31 HA TYR 31 15.646 -8.545 -10.940
208 HB2 TYR 31 2HB TYR 31 17.369 -8.062 -9.281
209 HB3 TYR 31 3HB TYR 31 18.088 -8.796 -10.710
210 HD1 TYR 31 HD2 TYR 31 17.559 -5.557 -8.982
211 HD2 TYR 31 HD1 TYR 31 19.793 -7.695 -11.904
212 HE1 TYR 31 HE2 TYR 31 19.131 -3.673 -9.150
213 HE2 TYR 31 HE1 TYR 31 21.372 -5.817 -12.079
214 HH TYR 31 HH TYR 31 22.112 -3.881 -10.498
215 H LYS 32 H LYS 32 15.010 -7.413 -8.931
216 HA LYS 32 HA LYS 32 14.633 -4.525 -9.258
217 HB2 LYS 32 2HB LYS 32 12.454 -6.553 -8.762
218 HB3 LYS 32 3HB LYS 32 12.256 -4.839 -8.419
219 HG2 LYS 32 2HG LYS 32 12.079 -4.281 -10.599
220 HG3 LYS 32 3HG LYS 32 13.211 -5.529 -11.125
221 HD2 LYS 32 2HD LYS 32 10.537 -6.317 -10.050
222 HD3 LYS 32 3HD LYS 32 10.670 -5.724 -11.708
223 HE2 LYS 32 2HE LYS 32 12.491 -7.882 -10.713
224 HE3 LYS 32 3HE LYS 32 10.855 -8.270 -11.244
225 HZ1 LYS 32 3HZ LYS 32 12.076 -8.522 -13.161
226 HZ2 LYS 32 1HZ LYS 32 13.116 -7.232 -12.816
227 HZ3 LYS 32 2HZ LYS 32 11.533 -6.928 -13.327
228 H SER 33 H SER 33 14.880 -3.393 -7.419
229 HA SER 33 HA SER 33 14.364 -4.451 -4.826
230 HB2 SER 33 2HB SER 33 16.508 -4.813 -3.981
231 HB3 SER 33 3HB SER 33 16.632 -5.485 -5.607
232 HG SER 33 HG SER 33 18.392 -4.123 -5.155
233 H CYS 34 H CYS 34 14.346 -2.867 -3.253
234 HA CYS 34 HA CYS 34 15.619 -0.390 -3.361
235 HB2 CYS 34 2HB CYS 34 13.669 -0.466 -5.291
236 HB3 CYS 34 3HB CYS 34 12.812 0.258 -3.934
237 H GLY 35 H GLY 35 13.866 1.307 -2.140
238 HA2 GLY 35 2HA GLY 35 12.113 0.355 -0.243
239 HA3 GLY 35 3HA GLY 35 13.705 0.174 0.479
240 H ILE 36 H ILE 36 15.038 2.112 0.674
241 HA ILE 36 HA ILE 36 13.358 4.481 1.141
242 HB ILE 36 HB ILE 36 15.365 5.216 2.560
243 HG12 ILE 36 2HG1 ILE 36 15.952 2.253 2.384
244 HG13 ILE 36 3HG1 ILE 36 16.935 3.524 1.665
245 HG21 ILE 36 1HG2 ILE 36 13.159 4.414 3.406
246 HG22 ILE 36 2HG2 ILE 36 13.848 2.795 3.510
247 HG23 ILE 36 3HG2 ILE 36 14.510 4.099 4.494
248 HD11 ILE 36 3HD1 ILE 36 17.492 4.384 3.836
249 HD12 ILE 36 1HD1 ILE 36 16.397 3.240 4.611
250 HD13 ILE 36 2HD1 ILE 36 17.842 2.657 3.784
251 H GLN 37 H GLN 37 13.809 6.398 0.194
252 HA GLN 37 HA GLN 37 15.180 6.561 -2.185
253 HB2 GLN 37 2HB GLN 37 13.533 8.227 -1.270
254 HB3 GLN 37 3HB GLN 37 14.828 8.865 -0.265
255 HG2 GLN 37 2HG GLN 37 15.241 10.257 -1.942
256 HG3 GLN 37 3HG GLN 37 15.948 8.869 -2.768
257 HE21 GLN 37 1HE2 GLN 37 14.279 7.488 -3.938
258 HE22 GLN 37 2HE2 GLN 37 13.096 8.345 -4.859
259 H GLU 38 H GLU 38 16.402 6.917 1.067
260 HA GLU 38 HA GLU 38 18.857 8.150 0.480
261 HB2 GLU 38 2HB GLU 38 17.956 6.362 2.729
262 HB3 GLU 38 3HB GLU 38 19.594 6.996 2.651
263 HG2 GLU 38 2HG GLU 38 17.040 8.568 2.857
264 HG3 GLU 38 3HG GLU 38 18.299 8.399 4.080
265 H GLU 39 H GLU 39 17.871 4.765 0.505
266 HA GLU 39 HA GLU 39 20.551 3.848 -0.104
267 HB2 GLU 39 2HB GLU 39 17.905 2.467 0.275
268 HB3 GLU 39 3HB GLU 39 19.309 1.606 -0.337
269 HG2 GLU 39 2HG GLU 39 20.543 2.141 1.686
270 HG3 GLU 39 3HG GLU 39 19.164 3.052 2.298
271 H CYS 40 H CYS 40 17.427 4.116 -1.748
272 HA CYS 40 HA CYS 40 18.180 2.909 -4.168
273 HB2 CYS 40 2HB CYS 40 15.927 4.423 -3.154
274 HB3 CYS 40 3HB CYS 40 16.294 4.873 -4.816
275 H GLU 41 H GLU 41 18.476 6.217 -3.004
276 HA GLU 41 HA GLU 41 19.215 7.416 -5.441
277 HB2 GLU 41 2HB GLU 41 18.513 8.676 -3.430
278 HB3 GLU 41 3HB GLU 41 20.017 8.223 -2.640
279 HG2 GLU 41 2HG GLU 41 21.298 9.586 -4.007
280 HG3 GLU 41 3HG GLU 41 20.054 9.673 -5.252
281 H ASP 42 H ASP 42 20.935 5.385 -3.261
282 HA ASP 42 HA ASP 42 23.570 6.119 -3.627
283 HB2 ASP 42 2HB ASP 42 22.506 4.197 -2.215
284 HB3 ASP 42 3HB ASP 42 22.801 3.219 -3.651
285 H ALA 43 H ALA 43 21.404 4.522 -5.841
286 HA ALA 43 HA ALA 43 23.357 3.555 -7.655
287 HB1 ALA 43 1HB ALA 43 21.424 3.465 -9.260
288 HB2 ALA 43 2HB ALA 43 21.189 2.595 -7.744
289 HB3 ALA 43 3HB ALA 43 20.429 4.168 -7.984
290 H GLU 44 H GLU 44 24.826 5.268 -7.977
291 HA GLU 44 HA GLU 44 23.988 7.806 -8.987
292 HB2 GLU 44 2HB GLU 44 26.329 8.303 -9.213
293 HB3 GLU 44 3HB GLU 44 26.090 7.444 -7.699
294 HG2 GLU 44 2HG GLU 44 26.669 5.349 -9.173
295 HG3 GLU 44 3HG GLU 44 27.448 6.561 -10.189
296 H GLY 45 H GLY 45 24.163 8.629 -11.073
297 HA2 GLY 45 2HA GLY 45 24.765 8.464 -13.382
298 HA3 GLY 45 3HA GLY 45 24.805 6.715 -13.211
299 H ALA 46 H ALA 46 22.289 6.499 -11.830
300 HA ALA 46 HA ALA 46 20.455 7.208 -14.028
301 HB1 ALA 46 1HB ALA 46 20.566 4.723 -12.336
302 HB2 ALA 46 2HB ALA 46 19.166 5.155 -13.318
303 HB3 ALA 46 3HB ALA 46 20.725 4.860 -14.088
304 H THR 47 H THR 47 18.234 7.591 -13.440
305 HA THR 47 HA THR 47 18.020 8.855 -10.808
306 HB THR 47 HB THR 47 17.464 10.191 -12.842
307 HG1 THR 47 HG1 THR 47 16.393 11.118 -11.256
308 HG21 THR 47 3HG2 THR 47 15.646 9.720 -14.211
309 HG22 THR 47 1HG2 THR 47 14.913 8.631 -13.034
310 HG23 THR 47 2HG2 THR 47 16.340 8.123 -13.937
311 H VAL 48 H VAL 48 16.476 8.317 -9.319
312 HA VAL 48 HA VAL 48 15.050 5.796 -9.814
313 HB VAL 48 HB VAL 48 15.701 7.155 -7.195
314 HG11 VAL 48 1HG1 VAL 48 13.784 5.973 -6.699
315 HG12 VAL 48 2HG1 VAL 48 14.128 4.711 -7.884
316 HG13 VAL 48 3HG1 VAL 48 15.034 4.773 -6.372
317 HG21 VAL 48 3HG2 VAL 48 16.869 4.583 -7.443
318 HG22 VAL 48 1HG2 VAL 48 17.263 5.500 -8.897
319 HG23 VAL 48 2HG2 VAL 48 17.676 6.146 -7.308
320 H LEU 49 H LEU 49 12.956 5.913 -10.243
321 HA LEU 49 HA LEU 49 11.377 8.067 -9.006
322 HB2 LEU 49 2HB LEU 49 11.938 8.144 -11.584
323 HB3 LEU 49 3HB LEU 49 10.606 6.994 -11.674
324 HG LEU 49 HG LEU 49 9.404 8.900 -10.242
325 HD11 LEU 49 1HD1 LEU 49 10.191 11.044 -11.597
326 HD12 LEU 49 2HD1 LEU 49 11.736 10.195 -11.533
327 HD13 LEU 49 3HD1 LEU 49 10.891 10.603 -10.039
328 HD21 LEU 49 3HD2 LEU 49 9.738 8.600 -13.204
329 HD22 LEU 49 1HD2 LEU 49 8.697 9.854 -12.529
330 HD23 LEU 49 2HD2 LEU 49 8.368 8.156 -12.185
331 H CYS 50 H CYS 50 9.493 7.475 -8.082
332 HA CYS 50 HA CYS 50 8.590 4.699 -8.484
333 HB2 CYS 50 2HB CYS 50 9.755 5.278 -6.243
334 HB3 CYS 50 3HB CYS 50 8.268 6.143 -5.867
335 H CYS 51 H CYS 51 6.360 4.320 -8.395
336 HA CYS 51 HA CYS 51 4.738 6.707 -8.908
337 HB2 CYS 51 2HB CYS 51 3.769 3.904 -9.349
338 HB3 CYS 51 3HB CYS 51 3.318 5.381 -10.194
339 HA PRO 52 HA PRO 52 2.515 6.376 -5.135
340 HB2 PRO 52 2HB PRO 52 0.098 7.349 -5.897
341 HB3 PRO 52 3HB PRO 52 1.525 8.372 -5.696
342 HG2 PRO 52 2HG PRO 52 0.348 7.235 -8.202
343 HG3 PRO 52 3HG PRO 52 0.982 8.863 -7.903
344 HD2 PRO 52 2HD PRO 52 2.410 6.958 -9.191
345 HD3 PRO 52 3HD PRO 52 3.172 8.197 -8.173
346 H GLU 53 H GLU 53 1.720 4.541 -7.870
347 HA GLU 53 HA GLU 53 -0.523 3.174 -6.615
348 HB2 GLU 53 2HB GLU 53 0.762 3.070 -9.322
349 HB3 GLU 53 3HB GLU 53 -0.285 1.759 -8.796
350 HG2 GLU 53 2HG GLU 53 -1.593 3.275 -10.072
351 HG3 GLU 53 3HG GLU 53 -2.072 3.438 -8.384
352 H ASP 54 H ASP 54 -0.356 0.626 -7.153
353 HA ASP 54 HA ASP 54 1.979 -0.267 -5.626
354 HB2 ASP 54 2HB ASP 54 0.604 -2.431 -5.489
355 HB3 ASP 54 3HB ASP 54 0.001 -1.032 -4.606
356 H LEU 55 H LEU 55 3.368 -1.849 -6.343
357 HA LEU 55 HA LEU 55 4.593 -3.043 -7.840
358 HB2 LEU 55 2HB LEU 55 1.916 -3.464 -9.161
359 HB3 LEU 55 3HB LEU 55 3.378 -4.394 -9.478
360 HG LEU 55 HG LEU 55 1.728 -4.375 -6.956
361 HD11 LEU 55 1HD1 LEU 55 2.413 -6.596 -8.874
362 HD12 LEU 55 2HD1 LEU 55 0.881 -5.724 -8.838
363 HD13 LEU 55 3HD1 LEU 55 1.368 -6.707 -7.457
364 HD21 LEU 55 3HD2 LEU 55 3.370 -6.107 -6.186
365 HD22 LEU 55 1HD2 LEU 55 3.999 -4.461 -6.247
366 HD23 LEU 55 2HD2 LEU 55 4.417 -5.612 -7.516
367 H CYS 56 H CYS 56 5.195 -0.647 -8.321
368 HA CYS 56 HA CYS 56 4.540 0.053 -11.092
369 HB2 CYS 56 2HB CYS 56 4.234 1.829 -9.435
370 HB3 CYS 56 3HB CYS 56 5.914 1.667 -8.932
371 H ASN 57 H ASN 57 7.039 -1.236 -9.139
372 HA ASN 57 HA ASN 57 9.024 -0.788 -11.264
373 HB2 ASN 57 2HB ASN 57 10.739 -1.138 -9.635
374 HB3 ASN 57 3HB ASN 57 9.572 -0.028 -8.921
375 HD21 ASN 57 1HD2 ASN 57 11.489 -2.482 -8.183
376 HD22 ASN 57 2HD2 ASN 57 10.579 -3.243 -6.927
Start of MODEL 2
1 H1 LEU 1 H LEU 1 1.315 0.016 0.588
2 HA LEU 1 HA LEU 1 1.197 0.095 -2.339
3 HB2 LEU 1 2HB LEU 1 2.569 1.627 -0.484
4 HB3 LEU 1 3HB LEU 1 3.803 0.559 -1.149
5 HG LEU 1 HG LEU 1 3.684 2.742 -2.293
6 HD11 LEU 1 1HD1 LEU 1 2.772 0.622 -4.204
7 HD12 LEU 1 2HD1 LEU 1 4.333 0.514 -3.391
8 HD13 LEU 1 3HD1 LEU 1 3.978 1.888 -4.438
9 HD21 LEU 1 3HD2 LEU 1 1.204 2.992 -2.008
10 HD22 LEU 1 1HD2 LEU 1 1.004 1.828 -3.317
11 HD23 LEU 1 2HD2 LEU 1 1.811 3.366 -3.621
12 H GLN 2 H GLN 2 2.503 -1.220 -3.627
13 HA GLN 2 HA GLN 2 3.852 -3.450 -2.270
14 HB2 GLN 2 2HB GLN 2 1.630 -3.555 -4.231
15 HB3 GLN 2 3HB GLN 2 2.927 -4.721 -4.451
16 HG2 GLN 2 2HG GLN 2 2.609 -5.407 -2.074
17 HG3 GLN 2 3HG GLN 2 1.190 -4.362 -2.024
18 HE21 GLN 2 1HE2 GLN 2 2.488 -6.674 -4.385
19 HE22 GLN 2 2HE2 GLN 2 1.036 -7.597 -4.535
20 H CYS 3 H CYS 3 5.578 -4.398 -3.411
21 HA CYS 3 HA CYS 3 6.449 -2.990 -5.838
22 HB2 CYS 3 2HB CYS 3 8.394 -3.713 -3.656
23 HB3 CYS 3 3HB CYS 3 8.634 -2.629 -5.023
24 H ASN 4 H ASN 4 7.711 -4.197 -7.265
25 HA ASN 4 HA ASN 4 7.335 -7.053 -7.063
26 HB2 ASN 4 2HB ASN 4 8.675 -5.403 -9.219
27 HB3 ASN 4 3HB ASN 4 8.267 -7.112 -9.340
28 HD21 ASN 4 1HD2 ASN 4 6.914 -3.890 -8.960
29 HD22 ASN 4 2HD2 ASN 4 5.376 -4.255 -9.656
30 H THR 5 H THR 5 9.089 -8.586 -7.427
31 HA THR 5 HA THR 5 11.656 -7.632 -6.336
32 HB THR 5 HB THR 5 11.593 -10.321 -5.724
33 HG1 THR 5 HG1 THR 5 9.488 -10.740 -5.905
34 HG21 THR 5 3HG2 THR 5 12.452 -8.616 -4.253
35 HG22 THR 5 1HG2 THR 5 11.222 -9.537 -3.389
36 HG23 THR 5 2HG2 THR 5 10.839 -7.939 -4.029
37 H LEU 6 H LEU 6 13.505 -9.109 -6.861
38 HA LEU 6 HA LEU 6 13.690 -9.458 -9.661
39 HB2 LEU 6 2HB LEU 6 15.902 -10.053 -9.311
40 HB3 LEU 6 3HB LEU 6 15.544 -8.989 -7.953
41 HG LEU 6 HG LEU 6 15.024 -11.329 -6.782
42 HD11 LEU 6 1HD1 LEU 6 15.686 -13.096 -7.942
43 HD12 LEU 6 2HD1 LEU 6 17.336 -12.477 -7.908
44 HD13 LEU 6 3HD1 LEU 6 16.267 -12.062 -9.247
45 HD21 LEU 6 3HD2 LEU 6 16.991 -11.032 -5.621
46 HD22 LEU 6 1HD2 LEU 6 16.762 -9.435 -6.333
47 HD23 LEU 6 2HD2 LEU 6 17.899 -10.570 -7.062
48 H ASP 7 H ASP 7 12.690 -11.532 -7.094
49 HA ASP 7 HA ASP 7 13.112 -14.001 -8.495
50 HB2 ASP 7 2HB ASP 7 12.922 -13.607 -5.937
51 HB3 ASP 7 3HB ASP 7 11.184 -13.659 -6.216
52 H GLY 8 H GLY 8 10.975 -11.520 -8.956
53 HA2 GLY 8 2HA GLY 8 9.306 -11.481 -10.608
54 HA3 GLY 8 3HA GLY 8 9.229 -13.235 -10.541
55 H GLY 9 H GLY 9 9.189 -12.437 -7.417
56 HA2 GLY 9 2HA GLY 9 6.297 -12.712 -7.271
57 HA3 GLY 9 3HA GLY 9 7.426 -12.815 -5.927
58 H THR 10 H THR 10 5.335 -11.474 -5.259
59 HA THR 10 HA THR 10 5.972 -8.623 -5.658
60 HB THR 10 HB THR 10 3.528 -8.354 -4.766
61 HG1 THR 10 HG1 THR 10 2.370 -10.304 -5.805
62 HG21 THR 10 3HG2 THR 10 2.754 -8.150 -6.968
63 HG22 THR 10 1HG2 THR 10 3.779 -9.463 -7.547
64 HG23 THR 10 2HG2 THR 10 4.496 -7.913 -7.107
65 H GLU 11 H GLU 11 6.073 -7.263 -3.886
66 HA GLU 11 HA GLU 11 5.936 -8.557 -1.244
67 HB2 GLU 11 2HB GLU 11 7.940 -6.422 -1.955
68 HB3 GLU 11 3HB GLU 11 7.910 -7.445 -0.526
69 HG2 GLU 11 2HG GLU 11 8.068 -9.297 -2.505
70 HG3 GLU 11 3HG GLU 11 8.990 -7.963 -3.196
71 H GLU 12 H GLU 12 5.220 -7.290 0.474
72 HA GLU 12 HA GLU 12 3.585 -5.022 -0.319
73 HB2 GLU 12 2HB GLU 12 2.733 -5.161 2.026
74 HB3 GLU 12 3HB GLU 12 2.511 -6.634 1.092
75 HG2 GLU 12 2HG GLU 12 5.017 -6.781 2.428
76 HG3 GLU 12 3HG GLU 12 3.780 -6.311 3.592
77 H CYS 13 H CYS 13 4.539 -3.098 -0.400
78 HA CYS 13 HA CYS 13 6.762 -2.473 1.368
79 HB2 CYS 13 2HB CYS 13 5.503 -0.763 -0.786
80 HB3 CYS 13 3HB CYS 13 7.047 -0.480 0.012
81 H ILE 14 H ILE 14 6.312 -1.750 3.338
82 HA ILE 14 HA ILE 14 3.817 -0.415 3.922
83 HB ILE 14 HB ILE 14 4.684 -0.320 6.252
84 HG12 ILE 14 2HG1 ILE 14 7.022 -1.885 5.138
85 HG13 ILE 14 3HG1 ILE 14 7.096 -0.192 5.614
86 HG21 ILE 14 1HG2 ILE 14 5.119 -3.134 5.466
87 HG22 ILE 14 2HG2 ILE 14 4.020 -2.443 6.660
88 HG23 ILE 14 3HG2 ILE 14 3.603 -2.396 4.947
89 HD11 ILE 14 3HD1 ILE 14 6.107 -2.133 7.618
90 HD12 ILE 14 1HD1 ILE 14 7.827 -2.154 7.228
91 HD13 ILE 14 2HD1 ILE 14 7.076 -0.674 7.828
92 HA PRO 15 HA PRO 15 5.244 3.726 3.484
93 HB2 PRO 15 2HB PRO 15 3.494 4.965 5.149
94 HB3 PRO 15 3HB PRO 15 3.030 4.337 3.563
95 HG2 PRO 15 2HG PRO 15 2.653 3.114 6.269
96 HG3 PRO 15 3HG PRO 15 1.517 3.194 4.909
97 HD2 PRO 15 2HD PRO 15 2.955 0.971 5.476
98 HD3 PRO 15 3HD PRO 15 2.500 1.417 3.819
99 H GLY 16 H GLY 16 7.309 3.314 4.531
100 HA2 GLY 16 2HA GLY 16 7.857 5.034 6.653
101 HA3 GLY 16 3HA GLY 16 7.650 3.429 7.339
102 H ILE 17 H ILE 17 8.897 1.687 5.987
103 HA ILE 17 HA ILE 17 11.664 2.610 5.900
104 HB ILE 17 HB ILE 17 10.650 -0.225 5.694
105 HG12 ILE 17 2HG1 ILE 17 11.686 -0.059 8.185
106 HG13 ILE 17 3HG1 ILE 17 11.040 1.570 8.019
107 HG21 ILE 17 1HG2 ILE 17 12.918 0.124 4.861
108 HG22 ILE 17 2HG2 ILE 17 13.367 0.883 6.387
109 HG23 ILE 17 3HG2 ILE 17 12.924 -0.823 6.348
110 HD11 ILE 17 3HD1 ILE 17 8.947 0.109 7.142
111 HD12 ILE 17 1HD1 ILE 17 9.653 -0.994 8.323
112 HD13 ILE 17 2HD1 ILE 17 9.171 0.631 8.812
113 H TYR 18 H TYR 18 9.131 1.578 3.796
114 HA TYR 18 HA TYR 18 10.995 1.734 1.522
115 HB2 TYR 18 2HB TYR 18 8.604 -0.107 1.621
116 HB3 TYR 18 3HB TYR 18 9.867 -0.053 0.397
117 HD1 TYR 18 HD1 TYR 18 12.304 0.024 2.039
118 HD2 TYR 18 HD2 TYR 18 8.737 -2.241 2.541
119 HE1 TYR 18 HE1 TYR 18 13.572 -1.689 3.267
120 HE2 TYR 18 HE2 TYR 18 9.995 -3.960 3.771
121 HH TYR 18 HH TYR 18 12.141 -4.055 5.125
122 H ASN 19 H ASN 19 10.516 3.681 0.692
123 HA ASN 19 HA ASN 19 7.685 4.254 0.108
124 HB2 ASN 19 2HB ASN 19 8.604 6.712 0.064
125 HB3 ASN 19 3HB ASN 19 8.215 5.944 1.601
126 HD21 ASN 19 1HD2 ASN 19 10.671 7.266 -0.384
127 HD22 ASN 19 2HD2 ASN 19 11.981 7.079 0.727
128 H VAL 20 H VAL 20 10.729 3.628 -1.176
129 HA VAL 20 HA VAL 20 9.977 4.824 -3.764
130 HB VAL 20 HB VAL 20 12.374 4.777 -4.349
131 HG11 VAL 20 1HG1 VAL 20 11.599 6.858 -3.577
132 HG12 VAL 20 2HG1 VAL 20 11.522 6.302 -1.903
133 HG13 VAL 20 3HG1 VAL 20 13.086 6.560 -2.677
134 HG21 VAL 20 3HG2 VAL 20 14.031 4.000 -2.983
135 HG22 VAL 20 1HG2 VAL 20 13.125 4.338 -1.508
136 HG23 VAL 20 2HG2 VAL 20 12.724 2.926 -2.486
137 H CYS 21 H CYS 21 11.115 3.596 -5.635
138 HA CYS 21 HA CYS 21 11.419 0.756 -5.250
139 HB2 CYS 21 2HB CYS 21 9.605 0.258 -6.977
140 HB3 CYS 21 3HB CYS 21 9.060 0.689 -5.359
141 H VAL 22 H VAL 22 12.555 -0.203 -6.889
142 HA VAL 22 HA VAL 22 13.093 1.389 -9.298
143 HB VAL 22 HB VAL 22 15.100 0.304 -7.362
144 HG11 VAL 22 1HG1 VAL 22 15.391 0.462 -10.338
145 HG12 VAL 22 2HG1 VAL 22 16.784 0.704 -9.282
146 HG13 VAL 22 3HG1 VAL 22 15.893 -0.818 -9.234
147 HG21 VAL 22 3HG2 VAL 22 15.176 2.804 -9.037
148 HG22 VAL 22 1HG2 VAL 22 14.379 2.725 -7.466
149 HG23 VAL 22 2HG2 VAL 22 16.113 2.432 -7.590
150 H HIS 23 H HIS 23 13.287 0.240 -11.160
151 HA HIS 23 HA HIS 23 13.208 -2.697 -10.945
152 HB2 HIS 23 2HB HIS 23 11.001 -2.035 -11.563
153 HB3 HIS 23 3HB HIS 23 11.607 -0.888 -12.754
154 HD1 HIS 23 HD1 HIS 23 10.227 -2.039 -14.622
155 HD2 HIS 23 HD2 HIS 23 13.052 -4.497 -12.822
156 HE1 HIS 23 HE1 HIS 23 10.416 -4.053 -16.117
157 H TYR 24 H TYR 24 14.990 -3.539 -11.780
158 HA TYR 24 HA TYR 24 16.382 -2.098 -13.925
159 HB2 TYR 24 2HB TYR 24 17.634 -2.686 -11.833
160 HB3 TYR 24 3HB TYR 24 17.417 -4.384 -12.240
161 HD1 TYR 24 HD2 TYR 24 18.322 -5.144 -14.546
162 HD2 TYR 24 HD1 TYR 24 19.490 -1.530 -12.628
163 HE1 TYR 24 HE2 TYR 24 20.358 -5.078 -15.924
164 HE2 TYR 24 HE1 TYR 24 21.529 -1.453 -14.002
165 HH TYR 24 HH TYR 24 22.008 -2.805 -16.659
166 H LYS 25 H LYS 25 15.991 -2.762 -15.920
167 HA LYS 25 HA LYS 25 15.619 -5.645 -16.399
168 HB2 LYS 25 2HB LYS 25 13.461 -4.630 -16.656
169 HB3 LYS 25 3HB LYS 25 14.126 -3.331 -17.637
170 HG2 LYS 25 2HG LYS 25 14.625 -4.899 -19.419
171 HG3 LYS 25 3HG LYS 25 14.031 -6.235 -18.431
172 HD2 LYS 25 2HD LYS 25 11.806 -5.159 -18.377
173 HD3 LYS 25 3HD LYS 25 12.419 -3.893 -19.444
174 HE2 LYS 25 2HE LYS 25 12.534 -5.296 -21.262
175 HE3 LYS 25 3HE LYS 25 12.716 -6.741 -20.269
176 HZ1 LYS 25 3HZ LYS 25 10.208 -5.509 -19.793
177 HZ2 LYS 25 1HZ LYS 25 10.541 -7.078 -20.332
178 HZ3 LYS 25 2HZ LYS 25 10.403 -5.813 -21.446
179 H SER 26 H SER 26 17.263 -6.401 -17.543
180 HA SER 26 HA SER 26 18.300 -4.784 -19.766
181 HB2 SER 26 2HB SER 26 19.872 -6.084 -17.555
182 HB3 SER 26 3HB SER 26 20.600 -5.803 -19.136
183 HG SER 26 HG SER 26 20.777 -3.770 -18.656
184 H GLU 27 H GLU 27 19.485 -6.064 -21.378
185 HA GLU 27 HA GLU 27 18.063 -8.474 -21.985
186 HB2 GLU 27 2HB GLU 27 19.326 -8.494 -24.043
187 HB3 GLU 27 3HB GLU 27 18.786 -6.853 -23.718
188 HG2 GLU 27 2HG GLU 27 21.087 -6.488 -22.680
189 HG3 GLU 27 3HG GLU 27 21.544 -7.995 -23.471
190 H ASP 28 H ASP 28 20.855 -7.768 -20.209
191 HA ASP 28 HA ASP 28 21.938 -10.474 -20.569
192 HB2 ASP 28 2HB ASP 28 23.283 -8.143 -20.595
193 HB3 ASP 28 3HB ASP 28 23.369 -8.505 -18.873
194 H GLU 29 H GLU 29 20.327 -8.405 -18.317
195 HA GLU 29 HA GLU 29 19.889 -10.605 -16.521
196 HB2 GLU 29 2HB GLU 29 20.922 -9.716 -14.572
197 HB3 GLU 29 3HB GLU 29 22.138 -9.690 -15.841
198 HG2 GLU 29 2HG GLU 29 21.451 -7.266 -16.217
199 HG3 GLU 29 3HG GLU 29 20.610 -7.392 -14.673
200 H GLU 30 H GLU 30 18.486 -9.932 -14.655
201 HA GLU 30 HA GLU 30 17.076 -7.428 -14.922
202 HB2 GLU 30 2HB GLU 30 15.938 -8.721 -16.632
203 HB3 GLU 30 3HB GLU 30 15.688 -10.048 -15.506
204 HG2 GLU 30 2HG GLU 30 14.204 -8.688 -14.173
205 HG3 GLU 30 3HG GLU 30 14.511 -7.295 -15.208
206 H TYR 31 H TYR 31 16.590 -6.754 -12.946
207 HA TYR 31 HA TYR 31 15.588 -8.566 -10.935
208 HB2 TYR 31 2HB TYR 31 17.318 -8.111 -9.284
209 HB3 TYR 31 3HB TYR 31 18.034 -8.844 -10.715
210 HD1 TYR 31 HD2 TYR 31 17.530 -5.611 -8.967
211 HD2 TYR 31 HD1 TYR 31 19.746 -7.747 -11.905
212 HE1 TYR 31 HE2 TYR 31 19.116 -3.738 -9.124
213 HE2 TYR 31 HE1 TYR 31 21.340 -5.880 -12.068
214 HH TYR 31 HH TYR 31 21.116 -3.081 -9.927
215 H LYS 32 H LYS 32 14.972 -7.408 -8.934
216 HA LYS 32 HA LYS 32 14.647 -4.517 -9.278
217 HB2 LYS 32 2HB LYS 32 12.385 -6.409 -8.606
218 HB3 LYS 32 3HB LYS 32 12.278 -4.654 -8.629
219 HG2 LYS 32 2HG LYS 32 12.393 -4.544 -10.936
220 HG3 LYS 32 3HG LYS 32 13.139 -6.138 -11.075
221 HD2 LYS 32 2HD LYS 32 10.755 -6.739 -9.890
222 HD3 LYS 32 3HD LYS 32 10.309 -5.383 -10.929
223 HE2 LYS 32 2HE LYS 32 12.036 -7.202 -12.336
224 HE3 LYS 32 3HE LYS 32 10.653 -8.066 -11.665
225 HZ1 LYS 32 3HZ LYS 32 9.240 -7.051 -13.057
226 HZ2 LYS 32 1HZ LYS 32 10.618 -6.752 -13.992
227 HZ3 LYS 32 2HZ LYS 32 10.022 -5.554 -12.957
228 H SER 33 H SER 33 14.906 -3.386 -7.440
229 HA SER 33 HA SER 33 14.343 -4.421 -4.849
230 HB2 SER 33 2HB SER 33 17.169 -4.472 -5.847
231 HB3 SER 33 3HB SER 33 16.855 -4.135 -4.145
232 HG SER 33 HG SER 33 16.321 -6.466 -5.627
233 H CYS 34 H CYS 34 14.346 -2.831 -3.284
234 HA CYS 34 HA CYS 34 15.683 -0.388 -3.384
235 HB2 CYS 34 2HB CYS 34 13.758 -0.421 -5.339
236 HB3 CYS 34 3HB CYS 34 12.901 0.330 -3.996
237 H GLY 35 H GLY 35 13.945 1.357 -2.198
238 HA2 GLY 35 2HA GLY 35 12.156 0.437 -0.312
239 HA3 GLY 35 3HA GLY 35 13.740 0.259 0.429
240 H ILE 36 H ILE 36 15.091 2.206 0.565
241 HA ILE 36 HA ILE 36 13.413 4.579 1.016
242 HB ILE 36 HB ILE 36 15.447 5.331 2.402
243 HG12 ILE 36 2HG1 ILE 36 15.982 2.354 2.290
244 HG13 ILE 36 3HG1 ILE 36 16.983 3.593 1.540
245 HG21 ILE 36 1HG2 ILE 36 14.370 4.627 4.275
246 HG22 ILE 36 2HG2 ILE 36 13.128 4.224 3.090
247 HG23 ILE 36 3HG2 ILE 36 14.210 2.969 3.694
248 HD11 ILE 36 3HD1 ILE 36 16.436 3.501 4.490
249 HD12 ILE 36 1HD1 ILE 36 17.802 2.684 3.732
250 HD13 ILE 36 2HD1 ILE 36 17.661 4.439 3.636
251 H GLN 37 H GLN 37 13.841 6.471 0.017
252 HA GLN 37 HA GLN 37 15.221 6.592 -2.362
253 HB2 GLN 37 2HB GLN 37 13.541 8.255 -1.464
254 HB3 GLN 37 3HB GLN 37 14.849 8.952 -0.519
255 HG2 GLN 37 2HG GLN 37 15.188 10.283 -2.264
256 HG3 GLN 37 3HG GLN 37 15.912 8.876 -3.041
257 HE21 GLN 37 1HE2 GLN 37 14.332 7.440 -4.191
258 HE22 GLN 37 2HE2 GLN 37 13.082 8.215 -5.097
259 H GLU 38 H GLU 38 16.425 6.981 0.882
260 HA GLU 38 HA GLU 38 18.868 8.255 0.271
261 HB2 GLU 38 2HB GLU 38 17.691 7.832 2.565
262 HB3 GLU 38 3HB GLU 38 18.597 6.325 2.549
263 HG2 GLU 38 2HG GLU 38 20.678 7.664 2.251
264 HG3 GLU 38 3HG GLU 38 19.709 9.118 2.484
265 H GLU 39 H GLU 39 17.912 4.863 0.408
266 HA GLU 39 HA GLU 39 20.605 3.950 -0.149
267 HB2 GLU 39 2HB GLU 39 17.970 2.521 0.188
268 HB3 GLU 39 3HB GLU 39 19.451 1.688 -0.264
269 HG2 GLU 39 2HG GLU 39 19.274 3.377 2.206
270 HG3 GLU 39 3HG GLU 39 18.795 1.681 2.192
271 H CYS 40 H CYS 40 17.552 4.352 -1.846
272 HA CYS 40 HA CYS 40 18.334 3.005 -4.223
273 HB2 CYS 40 2HB CYS 40 16.026 4.464 -3.259
274 HB3 CYS 40 3HB CYS 40 16.396 4.903 -4.923
275 H GLU 41 H GLU 41 18.591 6.317 -3.089
276 HA GLU 41 HA GLU 41 19.309 7.486 -5.564
277 HB2 GLU 41 2HB GLU 41 18.509 8.780 -3.614
278 HB3 GLU 41 3HB GLU 41 20.003 8.402 -2.768
279 HG2 GLU 41 2HG GLU 41 21.282 9.754 -4.161
280 HG3 GLU 41 3HG GLU 41 20.047 9.788 -5.418
281 H ASP 42 H ASP 42 20.990 5.442 -3.434
282 HA ASP 42 HA ASP 42 23.620 6.253 -3.596
283 HB2 ASP 42 2HB ASP 42 24.197 4.134 -2.880
284 HB3 ASP 42 3HB ASP 42 22.492 4.177 -2.436
285 H ALA 43 H ALA 43 21.619 4.797 -6.050
286 HA ALA 43 HA ALA 43 23.506 3.841 -7.835
287 HB1 ALA 43 1HB ALA 43 21.108 5.302 -8.851
288 HB2 ALA 43 2HB ALA 43 21.830 3.796 -9.418
289 HB3 ALA 43 3HB ALA 43 20.905 3.820 -7.917
290 H GLU 44 H GLU 44 25.324 4.983 -8.239
291 HA GLU 44 HA GLU 44 25.456 7.787 -8.509
292 HB2 GLU 44 2HB GLU 44 27.295 5.516 -9.135
293 HB3 GLU 44 3HB GLU 44 27.678 7.114 -9.760
294 HG2 GLU 44 2HG GLU 44 28.846 6.935 -7.741
295 HG3 GLU 44 3HG GLU 44 27.449 7.949 -7.384
296 H GLY 45 H GLY 45 25.178 9.118 -10.203
297 HA2 GLY 45 2HA GLY 45 24.599 9.841 -12.303
298 HA3 GLY 45 3HA GLY 45 25.499 8.457 -12.906
299 H ALA 46 H ALA 46 22.906 7.764 -10.775
300 HA ALA 46 HA ALA 46 21.225 6.995 -13.073
301 HB1 ALA 46 1HB ALA 46 20.505 5.399 -10.879
302 HB2 ALA 46 2HB ALA 46 21.342 4.900 -12.349
303 HB3 ALA 46 3HB ALA 46 22.268 5.398 -10.933
304 H THR 47 H THR 47 18.902 6.898 -12.626
305 HA THR 47 HA THR 47 18.099 8.877 -10.593
306 HB THR 47 HB THR 47 17.837 9.689 -12.931
307 HG1 THR 47 HG1 THR 47 15.949 10.630 -12.426
308 HG21 THR 47 3HG2 THR 47 15.763 7.504 -13.142
309 HG22 THR 47 1HG2 THR 47 17.324 7.504 -13.963
310 HG23 THR 47 2HG2 THR 47 16.119 8.731 -14.357
311 H VAL 48 H VAL 48 16.339 8.443 -9.324
312 HA VAL 48 HA VAL 48 15.120 5.778 -9.649
313 HB VAL 48 HB VAL 48 16.500 5.773 -7.676
314 HG11 VAL 48 1HG1 VAL 48 16.482 8.273 -7.406
315 HG12 VAL 48 2HG1 VAL 48 14.909 8.103 -6.624
316 HG13 VAL 48 3HG1 VAL 48 16.337 7.354 -5.908
317 HG21 VAL 48 3HG2 VAL 48 14.076 6.042 -6.151
318 HG22 VAL 48 1HG2 VAL 48 13.751 5.245 -7.691
319 HG23 VAL 48 2HG2 VAL 48 14.963 4.584 -6.594
320 H LEU 49 H LEU 49 13.043 5.855 -10.165
321 HA LEU 49 HA LEU 49 11.397 8.041 -9.081
322 HB2 LEU 49 2HB LEU 49 11.688 8.620 -11.342
323 HB3 LEU 49 3HB LEU 49 11.490 6.952 -11.877
324 HG LEU 49 HG LEU 49 9.153 8.173 -10.545
325 HD11 LEU 49 1HD1 LEU 49 9.266 10.054 -11.762
326 HD12 LEU 49 2HD1 LEU 49 8.735 9.021 -13.088
327 HD13 LEU 49 3HD1 LEU 49 10.449 9.380 -12.883
328 HD21 LEU 49 3HD2 LEU 49 8.061 6.573 -11.662
329 HD22 LEU 49 1HD2 LEU 49 9.657 5.895 -11.982
330 HD23 LEU 49 2HD2 LEU 49 8.887 6.939 -13.177
331 H CYS 50 H CYS 50 9.500 7.455 -8.191
332 HA CYS 50 HA CYS 50 8.618 4.667 -8.553
333 HB2 CYS 50 2HB CYS 50 9.720 5.348 -6.286
334 HB3 CYS 50 3HB CYS 50 8.178 6.139 -5.976
335 H CYS 51 H CYS 51 6.389 4.283 -8.522
336 HA CYS 51 HA CYS 51 4.774 6.656 -9.122
337 HB2 CYS 51 2HB CYS 51 3.824 3.844 -9.545
338 HB3 CYS 51 3HB CYS 51 3.398 5.306 -10.429
339 HA PRO 52 HA PRO 52 2.447 6.375 -5.408
340 HB2 PRO 52 2HB PRO 52 0.051 7.332 -6.252
341 HB3 PRO 52 3HB PRO 52 1.470 8.361 -6.025
342 HG2 PRO 52 2HG PRO 52 0.366 7.185 -8.547
343 HG3 PRO 52 3HG PRO 52 0.989 8.819 -8.253
344 HD2 PRO 52 2HD PRO 52 2.457 6.898 -9.473
345 HD3 PRO 52 3HD PRO 52 3.187 8.153 -8.451
346 H GLU 53 H GLU 53 1.729 4.502 -8.140
347 HA GLU 53 HA GLU 53 -0.554 3.155 -6.945
348 HB2 GLU 53 2HB GLU 53 0.855 2.975 -9.587
349 HB3 GLU 53 3HB GLU 53 -0.227 1.688 -9.075
350 HG2 GLU 53 2HG GLU 53 -2.059 2.900 -9.475
351 HG3 GLU 53 3HG GLU 53 -1.355 4.369 -8.802
352 H ASP 54 H ASP 54 -0.365 0.595 -7.409
353 HA ASP 54 HA ASP 54 1.907 -0.257 -5.767
354 HB2 ASP 54 2HB ASP 54 -0.385 -2.052 -6.475
355 HB3 ASP 54 3HB ASP 54 0.614 -2.039 -5.024
356 H LEU 55 H LEU 55 3.343 -1.816 -6.404
357 HA LEU 55 HA LEU 55 4.616 -3.052 -7.826
358 HB2 LEU 55 2HB LEU 55 1.966 -3.581 -9.163
359 HB3 LEU 55 3HB LEU 55 3.452 -4.490 -9.431
360 HG LEU 55 HG LEU 55 1.862 -4.379 -6.869
361 HD11 LEU 55 1HD1 LEU 55 2.314 -6.650 -8.798
362 HD12 LEU 55 2HD1 LEU 55 0.834 -5.698 -8.679
363 HD13 LEU 55 3HD1 LEU 55 1.353 -6.695 -7.320
364 HD21 LEU 55 3HD2 LEU 55 3.430 -6.057 -6.050
365 HD22 LEU 55 1HD2 LEU 55 4.261 -4.551 -6.440
366 HD23 LEU 55 2HD2 LEU 55 4.364 -5.925 -7.541
367 H CYS 56 H CYS 56 5.185 -0.670 -8.401
368 HA CYS 56 HA CYS 56 4.562 -0.096 -11.208
369 HB2 CYS 56 2HB CYS 56 4.220 1.742 -9.627
370 HB3 CYS 56 3HB CYS 56 5.896 1.620 -9.103
371 H ASN 57 H ASN 57 7.054 -1.270 -9.173
372 HA ASN 57 HA ASN 57 9.057 -0.892 -11.294
373 HB2 ASN 57 2HB ASN 57 10.756 -1.110 -9.646
374 HB3 ASN 57 3HB ASN 57 9.539 -0.046 -8.946
375 HD21 ASN 57 1HD2 ASN 57 11.517 -2.546 -8.294
376 HD22 ASN 57 2HD2 ASN 57 10.659 -3.278 -6.986
Start of MODEL 3
1 H1 LEU 1 H LEU 1 2.020 -0.564 0.788
2 HA LEU 1 HA LEU 1 1.112 -0.096 -1.914
3 HB2 LEU 1 2HB LEU 1 2.860 1.725 -1.005
4 HB3 LEU 1 3HB LEU 1 3.989 0.487 -1.553
5 HG LEU 1 HG LEU 1 2.766 0.601 -3.791
6 HD11 LEU 1 1HD1 LEU 1 1.853 3.060 -4.029
7 HD12 LEU 1 2HD1 LEU 1 1.496 2.847 -2.315
8 HD13 LEU 1 3HD1 LEU 1 0.809 1.739 -3.502
9 HD21 LEU 1 3HD2 LEU 1 3.923 2.930 -4.232
10 HD22 LEU 1 1HD2 LEU 1 4.872 1.479 -3.908
11 HD23 LEU 1 2HD2 LEU 1 4.579 2.647 -2.619
12 H GLN 2 H GLN 2 2.669 -1.249 -3.496
13 HA GLN 2 HA GLN 2 3.826 -3.635 -2.230
14 HB2 GLN 2 2HB GLN 2 1.524 -3.507 -3.983
15 HB3 GLN 2 3HB GLN 2 2.796 -4.502 -4.680
16 HG2 GLN 2 2HG GLN 2 2.883 -5.729 -2.486
17 HG3 GLN 2 3HG GLN 2 1.418 -4.858 -2.036
18 HE21 GLN 2 1HE2 GLN 2 2.683 -6.712 -4.789
19 HE22 GLN 2 2HE2 GLN 2 1.232 -7.607 -5.070
20 H CYS 3 H CYS 3 5.517 -4.637 -3.378
21 HA CYS 3 HA CYS 3 6.528 -3.208 -5.732
22 HB2 CYS 3 2HB CYS 3 8.373 -4.022 -3.493
23 HB3 CYS 3 3HB CYS 3 8.708 -2.951 -4.850
24 H ASN 4 H ASN 4 7.681 -4.454 -7.180
25 HA ASN 4 HA ASN 4 7.257 -7.301 -6.970
26 HB2 ASN 4 2HB ASN 4 8.635 -5.719 -9.152
27 HB3 ASN 4 3HB ASN 4 8.096 -7.392 -9.261
28 HD21 ASN 4 1HD2 ASN 4 7.021 -4.070 -8.915
29 HD22 ASN 4 2HD2 ASN 4 5.437 -4.319 -9.557
30 H THR 5 H THR 5 9.020 -8.841 -7.488
31 HA THR 5 HA THR 5 11.610 -7.948 -6.403
32 HB THR 5 HB THR 5 11.878 -10.157 -5.340
33 HG1 THR 5 HG1 THR 5 10.558 -11.540 -6.379
34 HG21 THR 5 3HG2 THR 5 10.752 -8.107 -4.229
35 HG22 THR 5 1HG2 THR 5 10.625 -9.677 -3.436
36 HG23 THR 5 2HG2 THR 5 9.267 -9.048 -4.369
37 H LEU 6 H LEU 6 13.438 -9.361 -7.014
38 HA LEU 6 HA LEU 6 13.499 -9.782 -9.809
39 HB2 LEU 6 2HB LEU 6 15.737 -10.330 -9.548
40 HB3 LEU 6 3HB LEU 6 15.421 -9.228 -8.210
41 HG LEU 6 HG LEU 6 15.002 -11.541 -6.943
42 HD11 LEU 6 1HD1 LEU 6 15.848 -13.361 -7.898
43 HD12 LEU 6 2HD1 LEU 6 17.335 -12.526 -8.345
44 HD13 LEU 6 3HD1 LEU 6 15.923 -12.435 -9.397
45 HD21 LEU 6 3HD2 LEU 6 17.564 -11.426 -6.459
46 HD22 LEU 6 1HD2 LEU 6 16.510 -10.097 -5.974
47 HD23 LEU 6 2HD2 LEU 6 17.485 -9.960 -7.438
48 H ASP 7 H ASP 7 12.612 -11.792 -7.165
49 HA ASP 7 HA ASP 7 13.052 -14.299 -8.491
50 HB2 ASP 7 2HB ASP 7 12.819 -13.725 -5.919
51 HB3 ASP 7 3HB ASP 7 11.113 -14.027 -6.235
52 H GLY 8 H GLY 8 10.861 -11.872 -8.992
53 HA2 GLY 8 2HA GLY 8 9.171 -11.929 -10.627
54 HA3 GLY 8 3HA GLY 8 9.109 -13.678 -10.471
55 H GLY 9 H GLY 9 9.117 -12.760 -7.391
56 HA2 GLY 9 2HA GLY 9 6.218 -12.986 -7.199
57 HA3 GLY 9 3HA GLY 9 7.363 -13.111 -5.872
58 H THR 10 H THR 10 5.278 -11.703 -5.234
59 HA THR 10 HA THR 10 6.045 -8.879 -5.600
60 HB THR 10 HB THR 10 3.547 -8.578 -4.753
61 HG1 THR 10 HG1 THR 10 2.648 -10.503 -4.640
62 HG21 THR 10 3HG2 THR 10 2.861 -8.286 -7.033
63 HG22 THR 10 1HG2 THR 10 4.123 -9.374 -7.607
64 HG23 THR 10 2HG2 THR 10 4.555 -7.812 -6.912
65 H GLU 11 H GLU 11 6.120 -7.535 -3.812
66 HA GLU 11 HA GLU 11 5.815 -8.843 -1.191
67 HB2 GLU 11 2HB GLU 11 7.776 -7.647 -0.380
68 HB3 GLU 11 3HB GLU 11 8.196 -8.642 -1.767
69 HG2 GLU 11 2HG GLU 11 8.530 -6.832 -3.141
70 HG3 GLU 11 3HG GLU 11 7.485 -5.780 -2.188
71 H GLU 12 H GLU 12 5.077 -7.560 0.506
72 HA GLU 12 HA GLU 12 3.571 -5.222 -0.335
73 HB2 GLU 12 2HB GLU 12 3.658 -6.590 2.360
74 HB3 GLU 12 3HB GLU 12 2.508 -5.359 1.857
75 HG2 GLU 12 2HG GLU 12 1.903 -7.020 -0.022
76 HG3 GLU 12 3HG GLU 12 2.715 -8.211 0.991
77 H CYS 13 H CYS 13 4.568 -3.322 -0.337
78 HA CYS 13 HA CYS 13 6.763 -2.802 1.499
79 HB2 CYS 13 2HB CYS 13 5.605 -1.145 -0.751
80 HB3 CYS 13 3HB CYS 13 7.012 -0.693 0.205
81 H ILE 14 H ILE 14 6.281 -2.109 3.472
82 HA ILE 14 HA ILE 14 3.805 -0.847 4.121
83 HB ILE 14 HB ILE 14 4.766 -0.569 6.378
84 HG12 ILE 14 2HG1 ILE 14 7.246 -1.768 5.127
85 HG13 ILE 14 3HG1 ILE 14 7.088 -0.123 5.731
86 HG21 ILE 14 1HG2 ILE 14 5.576 -3.320 5.861
87 HG22 ILE 14 2HG2 ILE 14 4.260 -2.692 6.852
88 HG23 ILE 14 3HG2 ILE 14 4.037 -2.893 5.114
89 HD11 ILE 14 3HD1 ILE 14 6.354 -1.932 7.801
90 HD12 ILE 14 1HD1 ILE 14 7.905 -2.428 7.124
91 HD13 ILE 14 2HD1 ILE 14 7.697 -0.790 7.744
92 HA PRO 15 HA PRO 15 4.820 3.368 3.361
93 HB2 PRO 15 2HB PRO 15 3.073 4.549 5.071
94 HB3 PRO 15 3HB PRO 15 2.570 3.789 3.557
95 HG2 PRO 15 2HG PRO 15 2.475 2.702 6.345
96 HG3 PRO 15 3HG PRO 15 1.254 2.602 5.063
97 HD2 PRO 15 2HD PRO 15 2.920 0.550 5.651
98 HD3 PRO 15 3HD PRO 15 2.323 0.854 4.007
99 H GLY 16 H GLY 16 6.971 3.262 4.262
100 HA2 GLY 16 2HA GLY 16 7.623 5.146 6.111
101 HA3 GLY 16 3HA GLY 16 7.365 3.704 7.081
102 H ILE 17 H ILE 17 8.555 1.709 6.202
103 HA ILE 17 HA ILE 17 11.330 2.310 6.187
104 HB ILE 17 HB ILE 17 10.038 -0.331 5.501
105 HG12 ILE 17 2HG1 ILE 17 10.864 0.764 8.199
106 HG13 ILE 17 3HG1 ILE 17 9.209 0.512 7.655
107 HG21 ILE 17 1HG2 ILE 17 12.104 -1.331 6.047
108 HG22 ILE 17 2HG2 ILE 17 12.492 0.034 5.002
109 HG23 ILE 17 3HG2 ILE 17 12.730 0.163 6.744
110 HD11 ILE 17 3HD1 ILE 17 10.045 -1.953 7.319
111 HD12 ILE 17 1HD1 ILE 17 11.250 -1.466 8.510
112 HD13 ILE 17 2HD1 ILE 17 9.533 -1.366 8.901
113 H TYR 18 H TYR 18 9.014 1.420 3.694
114 HA TYR 18 HA TYR 18 11.097 1.935 1.676
115 HB2 TYR 18 2HB TYR 18 8.818 -0.001 1.283
116 HB3 TYR 18 3HB TYR 18 10.247 0.208 0.277
117 HD1 TYR 18 HD1 TYR 18 12.460 0.131 2.110
118 HD2 TYR 18 HD2 TYR 18 8.854 -2.126 2.188
119 HE1 TYR 18 HE1 TYR 18 13.607 -1.647 3.363
120 HE2 TYR 18 HE2 TYR 18 9.991 -3.910 3.443
121 HH TYR 18 HH TYR 18 11.861 -4.526 4.482
122 H ASN 19 H ASN 19 10.644 3.790 0.702
123 HA ASN 19 HA ASN 19 7.827 4.400 0.087
124 HB2 ASN 19 2HB ASN 19 8.767 6.844 0.048
125 HB3 ASN 19 3HB ASN 19 8.374 6.083 1.587
126 HD21 ASN 19 1HD2 ASN 19 10.757 7.589 -0.258
127 HD22 ASN 19 2HD2 ASN 19 12.098 7.314 0.795
128 H VAL 20 H VAL 20 10.872 3.721 -1.165
129 HA VAL 20 HA VAL 20 10.165 4.921 -3.763
130 HB VAL 20 HB VAL 20 12.572 4.823 -4.322
131 HG11 VAL 20 1HG1 VAL 20 13.288 6.642 -2.732
132 HG12 VAL 20 2HG1 VAL 20 11.754 6.918 -3.561
133 HG13 VAL 20 3HG1 VAL 20 11.766 6.387 -1.879
134 HG21 VAL 20 3HG2 VAL 20 14.204 4.070 -2.901
135 HG22 VAL 20 1HG2 VAL 20 13.250 4.399 -1.455
136 HG23 VAL 20 2HG2 VAL 20 12.884 2.991 -2.451
137 H CYS 21 H CYS 21 11.312 3.669 -5.617
138 HA CYS 21 HA CYS 21 11.566 0.827 -5.221
139 HB2 CYS 21 2HB CYS 21 9.762 0.349 -6.963
140 HB3 CYS 21 3HB CYS 21 9.207 0.794 -5.353
141 H VAL 22 H VAL 22 12.683 -0.166 -6.860
142 HA VAL 22 HA VAL 22 13.285 1.424 -9.257
143 HB VAL 22 HB VAL 22 15.239 0.286 -7.302
144 HG11 VAL 22 1HG1 VAL 22 15.575 0.417 -10.275
145 HG12 VAL 22 2HG1 VAL 22 16.960 0.602 -9.197
146 HG13 VAL 22 3HG1 VAL 22 16.005 -0.881 -9.163
147 HG21 VAL 22 3HG2 VAL 22 15.501 2.747 -9.000
148 HG22 VAL 22 1HG2 VAL 22 14.555 2.746 -7.511
149 HG23 VAL 22 2HG2 VAL 22 16.279 2.377 -7.461
150 H HIS 23 H HIS 23 13.467 0.280 -11.124
151 HA HIS 23 HA HIS 23 13.292 -2.655 -10.925
152 HB2 HIS 23 2HB HIS 23 11.118 -1.900 -11.575
153 HB3 HIS 23 3HB HIS 23 11.791 -0.789 -12.765
154 HD1 HIS 23 HD1 HIS 23 10.404 -1.896 -14.652
155 HD2 HIS 23 HD2 HIS 23 13.081 -4.458 -12.774
156 HE1 HIS 23 HE1 HIS 23 10.534 -3.929 -16.125
157 H TYR 24 H TYR 24 15.080 -3.533 -11.711
158 HA TYR 24 HA TYR 24 16.536 -2.142 -13.848
159 HB2 TYR 24 2HB TYR 24 17.744 -2.731 -11.731
160 HB3 TYR 24 3HB TYR 24 17.496 -4.429 -12.119
161 HD1 TYR 24 HD2 TYR 24 18.418 -5.239 -14.402
162 HD2 TYR 24 HD1 TYR 24 19.638 -1.628 -12.512
163 HE1 TYR 24 HE2 TYR 24 20.475 -5.236 -15.750
164 HE2 TYR 24 HE1 TYR 24 21.699 -1.614 -13.855
165 HH TYR 24 HH TYR 24 22.977 -2.774 -15.278
166 H LYS 25 H LYS 25 16.160 -2.820 -15.841
167 HA LYS 25 HA LYS 25 15.743 -5.699 -16.297
168 HB2 LYS 25 2HB LYS 25 13.709 -4.055 -16.550
169 HB3 LYS 25 3HB LYS 25 14.473 -3.660 -18.083
170 HG2 LYS 25 2HG LYS 25 14.016 -6.521 -17.408
171 HG3 LYS 25 3HG LYS 25 12.648 -5.531 -17.921
172 HD2 LYS 25 2HD LYS 25 15.206 -5.598 -19.490
173 HD3 LYS 25 3HD LYS 25 13.956 -6.822 -19.720
174 HE2 LYS 25 2HE LYS 25 13.214 -3.932 -19.796
175 HE3 LYS 25 3HE LYS 25 13.997 -4.660 -21.198
176 HZ1 LYS 25 3HZ LYS 25 11.322 -5.073 -20.146
177 HZ2 LYS 25 1HZ LYS 25 12.113 -6.464 -20.697
178 HZ3 LYS 25 2HZ LYS 25 11.885 -5.153 -21.740
179 H SER 26 H SER 26 17.393 -6.492 -17.407
180 HA SER 26 HA SER 26 18.489 -4.912 -19.628
181 HB2 SER 26 2HB SER 26 20.002 -6.236 -17.390
182 HB3 SER 26 3HB SER 26 20.758 -5.977 -18.963
183 HG SER 26 HG SER 26 21.177 -4.075 -18.162
184 H GLU 27 H GLU 27 19.674 -6.228 -21.215
185 HA GLU 27 HA GLU 27 18.206 -8.607 -21.834
186 HB2 GLU 27 2HB GLU 27 20.683 -7.576 -23.217
187 HB3 GLU 27 3HB GLU 27 19.462 -8.654 -23.879
188 HG2 GLU 27 2HG GLU 27 17.816 -6.764 -23.593
189 HG3 GLU 27 3HG GLU 27 19.203 -5.729 -23.256
190 H ASP 28 H ASP 28 20.982 -7.957 -20.014
191 HA ASP 28 HA ASP 28 22.010 -10.688 -20.347
192 HB2 ASP 28 2HB ASP 28 23.403 -8.379 -20.349
193 HB3 ASP 28 3HB ASP 28 23.461 -8.756 -18.629
194 H GLU 29 H GLU 29 20.412 -8.572 -18.127
195 HA GLU 29 HA GLU 29 19.889 -10.756 -16.333
196 HB2 GLU 29 2HB GLU 29 20.901 -9.866 -14.363
197 HB3 GLU 29 3HB GLU 29 22.143 -9.919 -15.607
198 HG2 GLU 29 2HG GLU 29 21.367 -7.441 -16.019
199 HG3 GLU 29 3HG GLU 29 20.810 -7.580 -14.352
200 H GLU 30 H GLU 30 18.471 -10.045 -14.496
201 HA GLU 30 HA GLU 30 17.135 -7.505 -14.781
202 HB2 GLU 30 2HB GLU 30 15.971 -8.705 -16.512
203 HB3 GLU 30 3HB GLU 30 15.721 -10.087 -15.454
204 HG2 GLU 30 2HG GLU 30 14.296 -8.678 -14.011
205 HG3 GLU 30 3HG GLU 30 14.487 -7.358 -15.164
206 H TYR 31 H TYR 31 16.620 -6.827 -12.813
207 HA TYR 31 HA TYR 31 15.533 -8.624 -10.832
208 HB2 TYR 31 2HB TYR 31 17.240 -8.182 -9.138
209 HB3 TYR 31 3HB TYR 31 17.952 -8.970 -10.541
210 HD1 TYR 31 HD2 TYR 31 17.521 -5.672 -8.894
211 HD2 TYR 31 HD1 TYR 31 19.739 -7.976 -11.700
212 HE1 TYR 31 HE2 TYR 31 19.176 -3.861 -9.063
213 HE2 TYR 31 HE1 TYR 31 21.402 -6.172 -11.875
214 HH TYR 31 HH TYR 31 21.540 -3.752 -11.498
215 H LYS 32 H LYS 32 14.904 -7.459 -8.838
216 HA LYS 32 HA LYS 32 14.624 -4.562 -9.200
217 HB2 LYS 32 2HB LYS 32 12.389 -6.527 -8.712
218 HB3 LYS 32 3HB LYS 32 12.232 -4.813 -8.353
219 HG2 LYS 32 2HG LYS 32 12.115 -4.221 -10.536
220 HG3 LYS 32 3HG LYS 32 13.167 -5.536 -11.065
221 HD2 LYS 32 2HD LYS 32 10.894 -6.791 -10.047
222 HD3 LYS 32 3HD LYS 32 10.282 -5.411 -10.962
223 HE2 LYS 32 2HE LYS 32 11.037 -6.221 -12.951
224 HE3 LYS 32 3HE LYS 32 12.416 -7.039 -12.219
225 HZ1 LYS 32 3HZ LYS 32 10.226 -8.341 -11.222
226 HZ2 LYS 32 1HZ LYS 32 11.250 -8.898 -12.449
227 HZ3 LYS 32 2HZ LYS 32 9.831 -8.066 -12.844
228 H SER 33 H SER 33 14.896 -3.413 -7.375
229 HA SER 33 HA SER 33 14.333 -4.415 -4.771
230 HB2 SER 33 2HB SER 33 17.148 -4.526 -5.787
231 HB3 SER 33 3HB SER 33 16.862 -4.129 -4.093
232 HG SER 33 HG SER 33 16.860 -6.518 -5.227
233 H CYS 34 H CYS 34 14.412 -2.815 -3.200
234 HA CYS 34 HA CYS 34 15.751 -0.377 -3.368
235 HB2 CYS 34 2HB CYS 34 13.760 -0.426 -5.258
236 HB3 CYS 34 3HB CYS 34 12.955 0.347 -3.896
237 H GLY 35 H GLY 35 14.049 1.384 -2.148
238 HA2 GLY 35 2HA GLY 35 12.334 0.459 -0.185
239 HA3 GLY 35 3HA GLY 35 13.948 0.340 0.500
240 H ILE 36 H ILE 36 15.234 2.306 0.616
241 HA ILE 36 HA ILE 36 13.515 4.666 0.989
242 HB ILE 36 HB ILE 36 15.498 5.475 2.410
243 HG12 ILE 36 2HG1 ILE 36 16.096 2.508 2.351
244 HG13 ILE 36 3HG1 ILE 36 17.095 3.763 1.626
245 HG21 ILE 36 1HG2 ILE 36 14.156 4.980 4.111
246 HG22 ILE 36 2HG2 ILE 36 13.208 3.998 2.995
247 HG23 ILE 36 3HG2 ILE 36 14.492 3.256 3.949
248 HD11 ILE 36 3HD1 ILE 36 17.926 2.939 3.804
249 HD12 ILE 36 1HD1 ILE 36 17.610 4.674 3.776
250 HD13 ILE 36 2HD1 ILE 36 16.469 3.582 4.561
251 H GLN 37 H GLN 37 13.980 6.565 0.002
252 HA GLN 37 HA GLN 37 15.373 6.656 -2.369
253 HB2 GLN 37 2HB GLN 37 13.713 8.347 -1.480
254 HB3 GLN 37 3HB GLN 37 15.034 9.034 -0.543
255 HG2 GLN 37 2HG GLN 37 15.379 10.347 -2.300
256 HG3 GLN 37 3HG GLN 37 16.096 8.927 -3.060
257 HE21 GLN 37 1HE2 GLN 37 14.529 7.498 -4.218
258 HE22 GLN 37 2HE2 GLN 37 13.280 8.268 -5.130
259 H GLU 38 H GLU 38 16.560 7.127 0.884
260 HA GLU 38 HA GLU 38 19.023 8.336 0.275
261 HB2 GLU 38 2HB GLU 38 18.297 6.517 2.578
262 HB3 GLU 38 3HB GLU 38 19.747 7.508 2.494
263 HG2 GLU 38 2HG GLU 38 16.959 8.627 2.388
264 HG3 GLU 38 3HG GLU 38 17.890 8.447 3.874
265 H GLU 39 H GLU 39 18.031 4.956 0.424
266 HA GLU 39 HA GLU 39 20.716 4.012 -0.114
267 HB2 GLU 39 2HB GLU 39 18.062 2.650 0.282
268 HB3 GLU 39 3HB GLU 39 19.475 1.764 -0.273
269 HG2 GLU 39 2HG GLU 39 20.678 2.385 1.747
270 HG3 GLU 39 3HG GLU 39 19.286 3.313 2.301
271 H CYS 40 H CYS 40 17.614 4.220 -1.808
272 HA CYS 40 HA CYS 40 18.401 2.919 -4.170
273 HB2 CYS 40 2HB CYS 40 16.129 4.457 -3.242
274 HB3 CYS 40 3HB CYS 40 16.517 4.853 -4.913
275 H GLU 41 H GLU 41 18.658 6.276 -3.137
276 HA GLU 41 HA GLU 41 19.405 7.407 -5.591
277 HB2 GLU 41 2HB GLU 41 18.748 8.727 -3.615
278 HB3 GLU 41 3HB GLU 41 20.236 8.250 -2.809
279 HG2 GLU 41 2HG GLU 41 20.506 9.537 -5.455
280 HG3 GLU 41 3HG GLU 41 19.963 10.551 -4.119
281 H ASP 42 H ASP 42 21.119 5.360 -3.439
282 HA ASP 42 HA ASP 42 23.761 6.055 -3.816
283 HB2 ASP 42 2HB ASP 42 22.761 4.177 -2.374
284 HB3 ASP 42 3HB ASP 42 22.853 3.184 -3.826
285 H ALA 43 H ALA 43 21.556 4.525 -6.036
286 HA ALA 43 HA ALA 43 23.507 3.576 -7.876
287 HB1 ALA 43 1HB ALA 43 20.702 4.288 -8.652
288 HB2 ALA 43 2HB ALA 43 21.730 2.989 -9.258
289 HB3 ALA 43 3HB ALA 43 21.039 2.884 -7.638
290 H GLU 44 H GLU 44 24.911 5.409 -8.085
291 HA GLU 44 HA GLU 44 24.051 7.919 -9.053
292 HB2 GLU 44 2HB GLU 44 26.737 6.547 -9.083
293 HB3 GLU 44 3HB GLU 44 26.498 8.178 -9.695
294 HG2 GLU 44 2HG GLU 44 25.536 7.581 -6.956
295 HG3 GLU 44 3HG GLU 44 27.276 7.696 -7.214
296 H GLY 45 H GLY 45 24.157 8.823 -11.125
297 HA2 GLY 45 2HA GLY 45 24.562 8.738 -13.467
298 HA3 GLY 45 3HA GLY 45 24.638 6.985 -13.362
299 H ALA 46 H ALA 46 22.432 6.075 -12.414
300 HA ALA 46 HA ALA 46 20.412 6.943 -14.314
301 HB1 ALA 46 1HB ALA 46 21.068 4.514 -13.854
302 HB2 ALA 46 2HB ALA 46 20.117 4.670 -12.377
303 HB3 ALA 46 3HB ALA 46 19.348 4.892 -13.949
304 H THR 47 H THR 47 18.259 7.459 -13.736
305 HA THR 47 HA THR 47 18.067 8.797 -11.145
306 HB THR 47 HB THR 47 15.986 8.949 -13.310
307 HG1 THR 47 HG1 THR 47 18.217 9.449 -14.069
308 HG21 THR 47 3HG2 THR 47 15.072 10.242 -11.723
309 HG22 THR 47 1HG2 THR 47 16.311 11.423 -12.143
310 HG23 THR 47 2HG2 THR 47 16.572 10.313 -10.798
311 H VAL 48 H VAL 48 16.542 8.328 -9.615
312 HA VAL 48 HA VAL 48 15.102 5.794 -9.983
313 HB VAL 48 HB VAL 48 16.570 5.764 -8.076
314 HG11 VAL 48 1HG1 VAL 48 15.793 8.482 -7.820
315 HG12 VAL 48 2HG1 VAL 48 15.386 7.651 -6.317
316 HG13 VAL 48 3HG1 VAL 48 17.039 7.606 -6.932
317 HG21 VAL 48 3HG2 VAL 48 14.320 4.696 -7.901
318 HG22 VAL 48 1HG2 VAL 48 15.029 5.146 -6.350
319 HG23 VAL 48 2HG2 VAL 48 13.756 6.139 -7.059
320 H LEU 49 H LEU 49 13.005 5.900 -10.401
321 HA LEU 49 HA LEU 49 11.440 8.107 -9.243
322 HB2 LEU 49 2HB LEU 49 11.978 8.114 -11.811
323 HB3 LEU 49 3HB LEU 49 10.683 6.921 -11.872
324 HG LEU 49 HG LEU 49 9.404 8.821 -10.513
325 HD11 LEU 49 1HD1 LEU 49 10.000 11.024 -11.490
326 HD12 LEU 49 2HD1 LEU 49 11.471 10.296 -12.135
327 HD13 LEU 49 3HD1 LEU 49 11.220 10.380 -10.391
328 HD21 LEU 49 3HD2 LEU 49 8.795 9.729 -12.897
329 HD22 LEU 49 1HD2 LEU 49 8.360 8.087 -12.420
330 HD23 LEU 49 2HD2 LEU 49 9.775 8.364 -13.436
331 H CYS 50 H CYS 50 9.591 7.545 -8.247
332 HA CYS 50 HA CYS 50 8.655 4.769 -8.558
333 HB2 CYS 50 2HB CYS 50 9.876 5.463 -6.348
334 HB3 CYS 50 3HB CYS 50 8.345 6.245 -5.968
335 H CYS 51 H CYS 51 6.425 4.413 -8.413
336 HA CYS 51 HA CYS 51 4.812 6.803 -8.943
337 HB2 CYS 51 2HB CYS 51 3.827 3.991 -9.304
338 HB3 CYS 51 3HB CYS 51 3.340 5.454 -10.154
339 HA PRO 52 HA PRO 52 2.658 6.575 -5.124
340 HB2 PRO 52 2HB PRO 52 0.222 7.519 -5.862
341 HB3 PRO 52 3HB PRO 52 1.650 8.551 -5.721
342 HG2 PRO 52 2HG PRO 52 0.424 7.338 -8.168
343 HG3 PRO 52 3HG PRO 52 1.059 8.976 -7.930
344 HD2 PRO 52 2HD PRO 52 2.466 7.037 -9.191
345 HD3 PRO 52 3HD PRO 52 3.245 8.307 -8.226
346 H GLU 53 H GLU 53 1.820 4.653 -7.782
347 HA GLU 53 HA GLU 53 -0.363 3.297 -6.395
348 HB2 GLU 53 2HB GLU 53 0.739 3.173 -9.186
349 HB3 GLU 53 3HB GLU 53 -0.307 1.896 -8.580
350 HG2 GLU 53 2HG GLU 53 -2.139 3.137 -8.805
351 HG3 GLU 53 3HG GLU 53 -1.373 4.558 -8.098
352 H ASP 54 H ASP 54 -0.218 0.751 -6.954
353 HA ASP 54 HA ASP 54 2.186 -0.135 -5.548
354 HB2 ASP 54 2HB ASP 54 0.866 -2.338 -5.455
355 HB3 ASP 54 3HB ASP 54 0.249 -0.982 -4.514
356 H LEU 55 H LEU 55 3.515 -1.801 -6.301
357 HA LEU 55 HA LEU 55 4.747 -2.906 -7.861
358 HB2 LEU 55 2HB LEU 55 2.044 -3.249 -9.152
359 HB3 LEU 55 3HB LEU 55 3.499 -4.145 -9.585
360 HG LEU 55 HG LEU 55 2.015 -4.291 -6.962
361 HD11 LEU 55 1HD1 LEU 55 0.941 -5.410 -8.900
362 HD12 LEU 55 2HD1 LEU 55 1.439 -6.522 -7.625
363 HD13 LEU 55 3HD1 LEU 55 2.400 -6.382 -9.097
364 HD21 LEU 55 3HD2 LEU 55 3.601 -6.049 -6.376
365 HD22 LEU 55 1HD2 LEU 55 4.426 -4.512 -6.637
366 HD23 LEU 55 2HD2 LEU 55 4.483 -5.765 -7.878
367 H CYS 56 H CYS 56 5.407 -0.526 -8.249
368 HA CYS 56 HA CYS 56 4.723 0.338 -10.966
369 HB2 CYS 56 2HB CYS 56 4.520 2.029 -9.204
370 HB3 CYS 56 3HB CYS 56 6.207 1.788 -8.764
371 H ASN 57 H ASN 57 7.216 -1.140 -9.145
372 HA ASN 57 HA ASN 57 9.175 -0.638 -11.281
373 HB2 ASN 57 2HB ASN 57 10.884 -1.350 -9.664
374 HB3 ASN 57 3HB ASN 57 9.928 -0.011 -9.033
375 HD21 ASN 57 1HD2 ASN 57 11.430 -2.579 -8.017
376 HD22 ASN 57 2HD2 ASN 57 10.366 -3.149 -6.780
Start of MODEL 4
1 H1 LEU 1 H LEU 1 1.600 -0.258 0.728
2 HA LEU 1 HA LEU 1 1.459 0.127 -2.182
3 HB2 LEU 1 2HB LEU 1 2.951 1.427 -0.247
4 HB3 LEU 1 3HB LEU 1 4.102 0.318 -0.990
5 HG LEU 1 HG LEU 1 4.143 2.570 -1.992
6 HD11 LEU 1 1HD1 LEU 1 3.063 0.971 -4.204
7 HD12 LEU 1 2HD1 LEU 1 4.311 0.176 -3.245
8 HD13 LEU 1 3HD1 LEU 1 4.644 1.729 -4.011
9 HD21 LEU 1 3HD2 LEU 1 2.326 3.468 -3.190
10 HD22 LEU 1 1HD2 LEU 1 1.653 2.927 -1.652
11 HD23 LEU 1 2HD2 LEU 1 1.420 1.957 -3.107
12 H GLN 2 H GLN 2 2.681 -1.171 -3.577
13 HA GLN 2 HA GLN 2 3.850 -3.595 -2.398
14 HB2 GLN 2 2HB GLN 2 1.524 -3.402 -4.120
15 HB3 GLN 2 3HB GLN 2 2.777 -4.399 -4.846
16 HG2 GLN 2 2HG GLN 2 2.869 -5.655 -2.659
17 HG3 GLN 2 3HG GLN 2 1.402 -4.788 -2.206
18 HE21 GLN 2 1HE2 GLN 2 2.603 -6.449 -5.108
19 HE22 GLN 2 2HE2 GLN 2 1.183 -7.401 -5.357
20 H CYS 3 H CYS 3 5.527 -4.561 -3.586
21 HA CYS 3 HA CYS 3 6.517 -3.046 -5.900
22 HB2 CYS 3 2HB CYS 3 8.372 -4.048 -3.747
23 HB3 CYS 3 3HB CYS 3 8.720 -2.911 -5.046
24 H ASN 4 H ASN 4 7.835 -4.229 -7.346
25 HA ASN 4 HA ASN 4 7.183 -7.037 -7.441
26 HB2 ASN 4 2HB ASN 4 8.798 -5.289 -9.310
27 HB3 ASN 4 3HB ASN 4 8.393 -6.974 -9.623
28 HD21 ASN 4 1HD2 ASN 4 6.973 -3.810 -8.978
29 HD22 ASN 4 2HD2 ASN 4 5.529 -4.075 -9.888
30 H THR 5 H THR 5 8.845 -8.685 -7.884
31 HA THR 5 HA THR 5 11.378 -8.106 -6.491
32 HB THR 5 HB THR 5 11.367 -10.305 -5.497
33 HG1 THR 5 HG1 THR 5 9.142 -10.666 -7.179
34 HG21 THR 5 3HG2 THR 5 8.577 -9.388 -4.962
35 HG22 THR 5 1HG2 THR 5 9.922 -8.318 -4.568
36 HG23 THR 5 2HG2 THR 5 9.822 -9.917 -3.831
37 H LEU 6 H LEU 6 13.206 -9.349 -7.152
38 HA LEU 6 HA LEU 6 13.415 -9.694 -9.938
39 HB2 LEU 6 2HB LEU 6 15.637 -10.249 -9.576
40 HB3 LEU 6 3HB LEU 6 15.244 -9.208 -8.209
41 HG LEU 6 HG LEU 6 15.350 -12.222 -8.106
42 HD11 LEU 6 1HD1 LEU 6 17.416 -11.833 -6.779
43 HD12 LEU 6 2HD1 LEU 6 17.354 -10.138 -7.259
44 HD13 LEU 6 3HD1 LEU 6 17.565 -11.393 -8.481
45 HD21 LEU 6 3HD2 LEU 6 13.946 -11.647 -6.377
46 HD22 LEU 6 1HD2 LEU 6 14.716 -10.080 -6.128
47 HD23 LEU 6 2HD2 LEU 6 15.520 -11.553 -5.584
48 H ASP 7 H ASP 7 12.321 -11.785 -7.458
49 HA ASP 7 HA ASP 7 12.870 -14.253 -8.819
50 HB2 ASP 7 2HB ASP 7 12.509 -13.859 -6.280
51 HB3 ASP 7 3HB ASP 7 10.793 -13.926 -6.670
52 H GLY 8 H GLY 8 10.741 -11.799 -9.432
53 HA2 GLY 8 2HA GLY 8 9.204 -11.808 -11.218
54 HA3 GLY 8 3HA GLY 8 9.101 -13.558 -11.090
55 H GLY 9 H GLY 9 8.855 -12.731 -8.011
56 HA2 GLY 9 2HA GLY 9 5.934 -12.803 -8.102
57 HA3 GLY 9 3HA GLY 9 6.937 -13.126 -6.696
58 H THR 10 H THR 10 4.935 -11.630 -6.072
59 HA THR 10 HA THR 10 5.833 -8.829 -6.232
60 HB THR 10 HB THR 10 3.402 -8.427 -5.352
61 HG1 THR 10 HG1 THR 10 3.017 -10.737 -5.106
62 HG21 THR 10 3HG2 THR 10 2.576 -8.323 -7.663
63 HG22 THR 10 1HG2 THR 10 3.944 -9.301 -8.193
64 HG23 THR 10 2HG2 THR 10 4.216 -7.688 -7.533
65 H GLU 11 H GLU 11 6.001 -7.593 -4.374
66 HA GLU 11 HA GLU 11 5.723 -9.037 -1.822
67 HB2 GLU 11 2HB GLU 11 7.748 -7.968 -1.003
68 HB3 GLU 11 3HB GLU 11 8.095 -8.883 -2.464
69 HG2 GLU 11 2HG GLU 11 8.398 -6.979 -3.743
70 HG3 GLU 11 3HG GLU 11 7.495 -5.961 -2.622
71 H GLU 12 H GLU 12 5.082 -7.826 -0.034
72 HA GLU 12 HA GLU 12 3.636 -5.395 -0.700
73 HB2 GLU 12 2HB GLU 12 2.698 -5.609 1.578
74 HB3 GLU 12 3HB GLU 12 2.470 -7.062 0.615
75 HG2 GLU 12 2HG GLU 12 3.435 -8.264 2.193
76 HG3 GLU 12 3HG GLU 12 4.919 -7.331 2.006
77 H CYS 13 H CYS 13 4.543 -3.469 -0.499
78 HA CYS 13 HA CYS 13 6.913 -3.133 1.153
79 HB2 CYS 13 2HB CYS 13 5.526 -1.202 -0.719
80 HB3 CYS 13 3HB CYS 13 7.063 -0.912 0.090
81 H ILE 14 H ILE 14 6.854 -2.355 3.149
82 HA ILE 14 HA ILE 14 4.431 -1.546 4.385
83 HB ILE 14 HB ILE 14 7.259 -1.209 5.392
84 HG12 ILE 14 2HG1 ILE 14 5.264 -3.425 5.912
85 HG13 ILE 14 3HG1 ILE 14 6.661 -3.554 4.848
86 HG21 ILE 14 1HG2 ILE 14 6.272 -1.036 7.593
87 HG22 ILE 14 2HG2 ILE 14 5.595 0.202 6.537
88 HG23 ILE 14 3HG2 ILE 14 4.657 -1.243 6.915
89 HD11 ILE 14 3HD1 ILE 14 6.483 -3.771 7.740
90 HD12 ILE 14 1HD1 ILE 14 7.716 -4.365 6.628
91 HD13 ILE 14 2HD1 ILE 14 7.773 -2.697 7.199
92 HA PRO 15 HA PRO 15 4.425 2.733 3.259
93 HB2 PRO 15 2HB PRO 15 2.544 3.555 5.035
94 HB3 PRO 15 3HB PRO 15 2.151 2.643 3.573
95 HG2 PRO 15 2HG PRO 15 2.445 1.671 6.389
96 HG3 PRO 15 3HG PRO 15 1.216 1.249 5.182
97 HD2 PRO 15 2HD PRO 15 3.331 -0.351 5.728
98 HD3 PRO 15 3HD PRO 15 2.600 -0.252 4.113
99 H GLY 16 H GLY 16 6.666 2.866 4.183
100 HA2 GLY 16 2HA GLY 16 7.074 5.032 5.765
101 HA3 GLY 16 3HA GLY 16 6.931 3.720 6.926
102 H ILE 17 H ILE 17 8.262 1.673 5.977
103 HA ILE 17 HA ILE 17 10.989 2.487 6.164
104 HB ILE 17 HB ILE 17 9.961 -0.246 5.404
105 HG12 ILE 17 2HG1 ILE 17 10.468 0.912 8.154
106 HG13 ILE 17 3HG1 ILE 17 8.891 0.514 7.479
107 HG21 ILE 17 1HG2 ILE 17 12.056 -1.063 6.206
108 HG22 ILE 17 2HG2 ILE 17 12.386 0.245 5.072
109 HG23 ILE 17 3HG2 ILE 17 12.509 0.532 6.807
110 HD11 ILE 17 3HD1 ILE 17 9.573 -1.848 7.365
111 HD12 ILE 17 1HD1 ILE 17 11.103 -1.418 8.129
112 HD13 ILE 17 2HD1 ILE 17 9.588 -1.204 9.007
113 H TYR 18 H TYR 18 8.848 1.637 3.545
114 HA TYR 18 HA TYR 18 11.034 2.186 1.652
115 HB2 TYR 18 2HB TYR 18 8.827 0.204 1.104
116 HB3 TYR 18 3HB TYR 18 10.306 0.459 0.185
117 HD1 TYR 18 HD2 TYR 18 12.403 0.413 2.161
118 HD2 TYR 18 HD1 TYR 18 8.864 -1.941 1.964
119 HE1 TYR 18 HE2 TYR 18 13.517 -1.359 3.454
120 HE2 TYR 18 HE1 TYR 18 9.968 -3.719 3.257
121 HH TYR 18 HH TYR 18 12.904 -4.221 3.560
122 H ASN 19 H ASN 19 10.602 3.993 0.590
123 HA ASN 19 HA ASN 19 7.798 4.587 -0.096
124 HB2 ASN 19 2HB ASN 19 8.125 6.862 0.314
125 HB3 ASN 19 3HB ASN 19 9.038 6.100 1.613
126 HD21 ASN 19 1HD2 ASN 19 11.329 5.977 1.414
127 HD22 ASN 19 2HD2 ASN 19 12.184 7.127 0.447
128 H VAL 20 H VAL 20 10.852 3.864 -1.276
129 HA VAL 20 HA VAL 20 10.216 5.039 -3.904
130 HB VAL 20 HB VAL 20 12.633 4.899 -4.411
131 HG11 VAL 20 1HG1 VAL 20 11.822 7.015 -3.702
132 HG12 VAL 20 2HG1 VAL 20 11.800 6.514 -2.010
133 HG13 VAL 20 3HG1 VAL 20 13.338 6.737 -2.845
134 HG21 VAL 20 3HG2 VAL 20 14.220 4.135 -2.952
135 HG22 VAL 20 1HG2 VAL 20 13.256 4.525 -1.528
136 HG23 VAL 20 2HG2 VAL 20 12.870 3.098 -2.490
137 H CYS 21 H CYS 21 11.386 3.747 -5.716
138 HA CYS 21 HA CYS 21 11.610 0.911 -5.283
139 HB2 CYS 21 2HB CYS 21 9.812 0.422 -7.034
140 HB3 CYS 21 3HB CYS 21 9.253 0.880 -5.428
141 H VAL 22 H VAL 22 12.757 -0.095 -6.883
142 HA VAL 22 HA VAL 22 13.407 1.487 -9.279
143 HB VAL 22 HB VAL 22 15.293 0.202 -7.342
144 HG11 VAL 22 1HG1 VAL 22 16.025 -0.925 -9.238
145 HG12 VAL 22 2HG1 VAL 22 15.652 0.428 -10.308
146 HG13 VAL 22 3HG1 VAL 22 17.037 0.519 -9.218
147 HG21 VAL 22 3HG2 VAL 22 15.634 2.722 -8.944
148 HG22 VAL 22 1HG2 VAL 22 14.734 2.686 -7.428
149 HG23 VAL 22 2HG2 VAL 22 16.443 2.251 -7.450
150 H HIS 23 H HIS 23 13.567 0.369 -11.167
151 HA HIS 23 HA HIS 23 13.219 -2.554 -11.024
152 HB2 HIS 23 2HB HIS 23 11.148 -1.297 -11.716
153 HB3 HIS 23 3HB HIS 23 12.028 -0.759 -13.144
154 HD1 HIS 23 HD1 HIS 23 9.564 -2.333 -13.684
155 HD2 HIS 23 HD2 HIS 23 13.250 -4.148 -13.065
156 HE1 HIS 23 HE1 HIS 23 9.389 -4.597 -14.765
157 H TYR 24 H TYR 24 15.042 -3.465 -11.703
158 HA TYR 24 HA TYR 24 16.578 -2.168 -13.842
159 HB2 TYR 24 2HB TYR 24 17.721 -2.729 -11.681
160 HB3 TYR 24 3HB TYR 24 17.444 -4.431 -12.034
161 HD1 TYR 24 HD2 TYR 24 18.380 -5.291 -14.310
162 HD2 TYR 24 HD1 TYR 24 19.678 -1.714 -12.406
163 HE1 TYR 24 HE2 TYR 24 20.469 -5.365 -15.606
164 HE2 TYR 24 HE1 TYR 24 21.770 -1.778 -13.698
165 HH TYR 24 HH TYR 24 23.132 -3.912 -14.890
166 H LYS 25 H LYS 25 16.234 -2.892 -15.825
167 HA LYS 25 HA LYS 25 15.772 -5.773 -16.216
168 HB2 LYS 25 2HB LYS 25 13.653 -4.719 -16.572
169 HB3 LYS 25 3HB LYS 25 14.378 -3.457 -17.558
170 HG2 LYS 25 2HG LYS 25 14.901 -5.083 -19.288
171 HG3 LYS 25 3HG LYS 25 14.222 -6.374 -18.293
172 HD2 LYS 25 2HD LYS 25 12.533 -4.000 -18.931
173 HD3 LYS 25 3HD LYS 25 12.793 -5.223 -20.177
174 HE2 LYS 25 2HE LYS 25 11.960 -6.046 -17.427
175 HE3 LYS 25 3HE LYS 25 10.759 -5.416 -18.555
176 HZ1 LYS 25 3HZ LYS 25 10.635 -7.549 -19.191
177 HZ2 LYS 25 1HZ LYS 25 12.156 -7.952 -18.568
178 HZ3 LYS 25 2HZ LYS 25 12.033 -7.204 -20.080
179 H SER 26 H SER 26 17.430 -6.612 -17.280
180 HA SER 26 HA SER 26 18.578 -5.099 -19.523
181 HB2 SER 26 2HB SER 26 20.044 -6.406 -17.242
182 HB3 SER 26 3HB SER 26 20.822 -6.170 -18.807
183 HG SER 26 HG SER 26 20.863 -4.061 -18.490
184 H GLU 27 H GLU 27 19.762 -6.467 -21.065
185 HA GLU 27 HA GLU 27 18.269 -8.838 -21.651
186 HB2 GLU 27 2HB GLU 27 19.524 -8.938 -23.683
187 HB3 GLU 27 3HB GLU 27 19.151 -7.247 -23.377
188 HG2 GLU 27 2HG GLU 27 21.475 -7.147 -22.288
189 HG3 GLU 27 3HG GLU 27 21.772 -8.666 -23.132
190 H ASP 28 H ASP 28 21.027 -8.189 -19.805
191 HA ASP 28 HA ASP 28 22.022 -10.939 -20.065
192 HB2 ASP 28 2HB ASP 28 23.439 -8.638 -20.077
193 HB3 ASP 28 3HB ASP 28 23.476 -9.008 -18.356
194 H GLU 29 H GLU 29 20.421 -8.757 -17.912
195 HA GLU 29 HA GLU 29 19.831 -10.896 -16.088
196 HB2 GLU 29 2HB GLU 29 20.850 -10.027 -14.128
197 HB3 GLU 29 3HB GLU 29 22.101 -10.055 -15.362
198 HG2 GLU 29 2HG GLU 29 21.457 -7.603 -15.776
199 HG3 GLU 29 3HG GLU 29 20.647 -7.707 -14.213
200 H GLU 30 H GLU 30 18.397 -10.129 -14.288
201 HA GLU 30 HA GLU 30 17.117 -7.568 -14.631
202 HB2 GLU 30 2HB GLU 30 16.032 -8.931 -16.383
203 HB3 GLU 30 3HB GLU 30 15.550 -10.099 -15.160
204 HG2 GLU 30 2HG GLU 30 14.141 -8.463 -14.090
205 HG3 GLU 30 3HG GLU 30 14.694 -7.214 -15.205
206 H TYR 31 H TYR 31 16.590 -6.854 -12.679
207 HA TYR 31 HA TYR 31 15.423 -8.597 -10.697
208 HB2 TYR 31 2HB TYR 31 17.116 -8.159 -8.975
209 HB3 TYR 31 3HB TYR 31 17.810 -9.022 -10.343
210 HD1 TYR 31 HD2 TYR 31 17.477 -5.638 -8.845
211 HD2 TYR 31 HD1 TYR 31 19.675 -8.161 -11.473
212 HE1 TYR 31 HE2 TYR 31 19.210 -3.904 -9.050
213 HE2 TYR 31 HE1 TYR 31 21.415 -6.435 -11.685
214 HH TYR 31 HH TYR 31 22.150 -4.344 -9.966
215 H LYS 32 H LYS 32 14.795 -7.391 -8.726
216 HA LYS 32 HA LYS 32 14.609 -4.492 -9.120
217 HB2 LYS 32 2HB LYS 32 12.316 -6.402 -8.736
218 HB3 LYS 32 3HB LYS 32 12.183 -4.710 -8.276
219 HG2 LYS 32 2HG LYS 32 12.009 -4.012 -10.400
220 HG3 LYS 32 3HG LYS 32 13.200 -5.175 -10.989
221 HD2 LYS 32 2HD LYS 32 10.579 -6.231 -10.077
222 HD3 LYS 32 3HD LYS 32 10.617 -5.348 -11.605
223 HE2 LYS 32 2HE LYS 32 12.472 -6.849 -12.337
224 HE3 LYS 32 3HE LYS 32 12.227 -7.787 -10.865
225 HZ1 LYS 32 3HZ LYS 32 10.039 -8.358 -11.564
226 HZ2 LYS 32 1HZ LYS 32 11.083 -8.689 -12.854
227 HZ3 LYS 32 2HZ LYS 32 10.110 -7.306 -12.887
228 H SER 33 H SER 33 14.868 -3.336 -7.296
229 HA SER 33 HA SER 33 14.218 -4.304 -4.699
230 HB2 SER 33 2HB SER 33 17.058 -4.479 -5.642
231 HB3 SER 33 3HB SER 33 16.727 -4.094 -3.953
232 HG SER 33 HG SER 33 16.885 -6.447 -4.853
233 H CYS 34 H CYS 34 14.305 -2.695 -3.137
234 HA CYS 34 HA CYS 34 15.713 -0.296 -3.290
235 HB2 CYS 34 2HB CYS 34 13.765 -0.304 -5.225
236 HB3 CYS 34 3HB CYS 34 12.951 0.501 -3.887
237 H GLY 35 H GLY 35 14.048 1.521 -2.114
238 HA2 GLY 35 2HA GLY 35 12.258 0.655 -0.188
239 HA3 GLY 35 3HA GLY 35 13.853 0.500 0.535
240 H ILE 36 H ILE 36 15.184 2.431 0.674
241 HA ILE 36 HA ILE 36 13.519 4.829 1.022
242 HB ILE 36 HB ILE 36 15.506 5.616 2.430
243 HG12 ILE 36 2HG1 ILE 36 16.116 2.652 2.384
244 HG13 ILE 36 3HG1 ILE 36 17.084 3.890 1.591
245 HG21 ILE 36 1HG2 ILE 36 13.234 4.629 3.177
246 HG22 ILE 36 2HG2 ILE 36 14.182 3.208 3.611
247 HG23 ILE 36 3HG2 ILE 36 14.538 4.765 4.357
248 HD11 ILE 36 3HD1 ILE 36 17.784 4.798 3.637
249 HD12 ILE 36 1HD1 ILE 36 16.548 3.923 4.541
250 HD13 ILE 36 2HD1 ILE 36 17.904 3.049 3.828
251 H GLN 37 H GLN 37 13.965 6.681 -0.037
252 HA GLN 37 HA GLN 37 15.386 6.724 -2.394
253 HB2 GLN 37 2HB GLN 37 13.698 8.417 -1.619
254 HB3 GLN 37 3HB GLN 37 14.955 9.127 -0.615
255 HG2 GLN 37 2HG GLN 37 15.388 10.434 -2.356
256 HG3 GLN 37 3HG GLN 37 16.151 9.017 -3.076
257 HE21 GLN 37 1HE2 GLN 37 14.631 7.565 -4.287
258 HE22 GLN 37 2HE2 GLN 37 13.433 8.329 -5.269
259 H GLU 38 H GLU 38 16.525 7.294 0.860
260 HA GLU 38 HA GLU 38 18.977 8.523 0.261
261 HB2 GLU 38 2HB GLU 38 17.957 6.928 2.584
262 HB3 GLU 38 3HB GLU 38 19.654 7.382 2.514
263 HG2 GLU 38 2HG GLU 38 18.922 9.757 2.257
264 HG3 GLU 38 3HG GLU 38 17.273 9.216 2.569
265 H GLU 39 H GLU 39 18.038 5.130 0.452
266 HA GLU 39 HA GLU 39 20.744 4.222 -0.047
267 HB2 GLU 39 2HB GLU 39 18.114 2.785 0.285
268 HB3 GLU 39 3HB GLU 39 19.603 1.950 -0.134
269 HG2 GLU 39 2HG GLU 39 19.416 3.693 2.295
270 HG3 GLU 39 3HG GLU 39 18.903 2.006 2.320
271 H CYS 40 H CYS 40 17.652 4.346 -1.769
272 HA CYS 40 HA CYS 40 18.484 3.021 -4.102
273 HB2 CYS 40 2HB CYS 40 16.173 4.519 -3.215
274 HB3 CYS 40 3HB CYS 40 16.568 4.915 -4.885
275 H GLU 41 H GLU 41 18.692 6.390 -3.110
276 HA GLU 41 HA GLU 41 19.395 7.537 -5.556
277 HB2 GLU 41 2HB GLU 41 18.810 8.854 -3.570
278 HB3 GLU 41 3HB GLU 41 20.291 8.331 -2.780
279 HG2 GLU 41 2HG GLU 41 20.551 9.663 -5.410
280 HG3 GLU 41 3HG GLU 41 20.079 10.658 -4.034
281 H ASP 42 H ASP 42 21.175 5.474 -3.465
282 HA ASP 42 HA ASP 42 23.804 6.159 -3.933
283 HB2 ASP 42 2HB ASP 42 22.941 4.318 -2.429
284 HB3 ASP 42 3HB ASP 42 22.796 3.313 -3.868
285 H ALA 43 H ALA 43 21.524 4.613 -6.074
286 HA ALA 43 HA ALA 43 23.404 3.671 -7.984
287 HB1 ALA 43 1HB ALA 43 20.532 4.387 -8.530
288 HB2 ALA 43 2HB ALA 43 21.543 3.216 -9.380
289 HB3 ALA 43 3HB ALA 43 21.022 2.895 -7.726
290 H GLU 44 H GLU 44 24.826 5.440 -8.314
291 HA GLU 44 HA GLU 44 23.893 7.957 -9.289
292 HB2 GLU 44 2HB GLU 44 26.069 7.550 -8.065
293 HB3 GLU 44 3HB GLU 44 26.682 6.833 -9.548
294 HG2 GLU 44 2HG GLU 44 26.457 8.905 -10.720
295 HG3 GLU 44 3HG GLU 44 25.632 9.644 -9.349
296 H GLY 45 H GLY 45 24.035 8.806 -11.380
297 HA2 GLY 45 2HA GLY 45 24.601 8.637 -13.704
298 HA3 GLY 45 3HA GLY 45 24.598 6.887 -13.538
299 H ALA 46 H ALA 46 22.130 6.644 -12.152
300 HA ALA 46 HA ALA 46 20.246 7.496 -14.255
301 HB1 ALA 46 1HB ALA 46 20.386 5.195 -14.542
302 HB2 ALA 46 2HB ALA 46 20.500 4.886 -12.808
303 HB3 ALA 46 3HB ALA 46 18.963 5.385 -13.516
304 H THR 47 H THR 47 18.214 8.197 -13.638
305 HA THR 47 HA THR 47 18.032 9.190 -10.922
306 HB THR 47 HB THR 47 15.879 9.523 -12.991
307 HG1 THR 47 HG1 THR 47 17.577 10.242 -14.152
308 HG21 THR 47 3HG2 THR 47 16.094 11.886 -11.761
309 HG22 THR 47 1HG2 THR 47 16.732 10.854 -10.482
310 HG23 THR 47 2HG2 THR 47 15.112 10.570 -11.119
311 H VAL 48 H VAL 48 16.539 8.603 -9.398
312 HA VAL 48 HA VAL 48 15.089 6.105 -9.930
313 HB VAL 48 HB VAL 48 15.827 7.377 -7.290
314 HG11 VAL 48 1HG1 VAL 48 14.455 4.769 -7.924
315 HG12 VAL 48 2HG1 VAL 48 15.096 5.199 -6.337
316 HG13 VAL 48 3HG1 VAL 48 13.783 6.141 -7.044
317 HG21 VAL 48 3HG2 VAL 48 17.263 5.644 -9.097
318 HG22 VAL 48 1HG2 VAL 48 17.818 6.444 -7.627
319 HG23 VAL 48 2HG2 VAL 48 17.025 4.872 -7.530
320 H LEU 49 H LEU 49 12.984 6.242 -10.295
321 HA LEU 49 HA LEU 49 11.446 8.348 -8.930
322 HB2 LEU 49 2HB LEU 49 11.593 9.089 -11.162
323 HB3 LEU 49 3HB LEU 49 11.315 7.469 -11.798
324 HG LEU 49 HG LEU 49 9.104 8.581 -10.207
325 HD11 LEU 49 1HD1 LEU 49 10.263 10.049 -12.468
326 HD12 LEU 49 2HD1 LEU 49 9.181 10.597 -11.188
327 HD13 LEU 49 3HD1 LEU 49 8.530 9.742 -12.586
328 HD21 LEU 49 3HD2 LEU 49 8.027 7.001 -11.332
329 HD22 LEU 49 1HD2 LEU 49 9.543 6.568 -12.121
330 HD23 LEU 49 2HD2 LEU 49 8.465 7.746 -12.870
331 H CYS 50 H CYS 50 9.618 7.707 -7.943
332 HA CYS 50 HA CYS 50 8.672 4.964 -8.455
333 HB2 CYS 50 2HB CYS 50 9.946 5.422 -6.239
334 HB3 CYS 50 3HB CYS 50 8.474 6.255 -5.748
335 H CYS 51 H CYS 51 6.446 4.597 -8.289
336 HA CYS 51 HA CYS 51 4.825 7.023 -8.580
337 HB2 CYS 51 2HB CYS 51 3.783 4.275 -9.150
338 HB3 CYS 51 3HB CYS 51 3.358 5.807 -9.905
339 HA PRO 52 HA PRO 52 2.755 6.462 -4.748
340 HB2 PRO 52 2HB PRO 52 0.307 7.471 -5.347
341 HB3 PRO 52 3HB PRO 52 1.741 8.484 -5.146
342 HG2 PRO 52 2HG PRO 52 0.459 7.493 -7.663
343 HG3 PRO 52 3HG PRO 52 1.104 9.104 -7.295
344 HD2 PRO 52 2HD PRO 52 2.478 7.282 -8.754
345 HD3 PRO 52 3HD PRO 52 3.281 8.461 -7.697
346 H GLU 53 H GLU 53 1.847 4.788 -7.549
347 HA GLU 53 HA GLU 53 -0.333 3.337 -6.273
348 HB2 GLU 53 2HB GLU 53 0.825 3.360 -9.047
349 HB3 GLU 53 3HB GLU 53 -0.268 2.082 -8.534
350 HG2 GLU 53 2HG GLU 53 -1.586 3.684 -9.646
351 HG3 GLU 53 3HG GLU 53 -1.915 3.877 -7.925
352 H ASP 54 H ASP 54 -0.189 0.830 -6.995
353 HA ASP 54 HA ASP 54 2.184 -0.159 -5.605
354 HB2 ASP 54 2HB ASP 54 0.854 -2.354 -5.672
355 HB3 ASP 54 3HB ASP 54 0.222 -1.056 -4.663
356 H LEU 55 H LEU 55 3.521 -1.776 -6.440
357 HA LEU 55 HA LEU 55 4.793 -2.754 -8.054
358 HB2 LEU 55 2HB LEU 55 2.110 -3.099 -9.384
359 HB3 LEU 55 3HB LEU 55 3.586 -3.961 -9.813
360 HG LEU 55 HG LEU 55 1.994 -4.223 -7.267
361 HD11 LEU 55 1HD1 LEU 55 2.658 -6.255 -9.389
362 HD12 LEU 55 2HD1 LEU 55 1.132 -5.377 -9.289
363 HD13 LEU 55 3HD1 LEU 55 1.604 -6.474 -7.992
364 HD21 LEU 55 3HD2 LEU 55 3.658 -5.962 -6.669
365 HD22 LEU 55 1HD2 LEU 55 4.325 -4.330 -6.686
366 HD23 LEU 55 2HD2 LEU 55 4.652 -5.429 -8.026
367 H CYS 56 H CYS 56 5.395 -0.343 -8.334
368 HA CYS 56 HA CYS 56 4.687 0.625 -11.010
369 HB2 CYS 56 2HB CYS 56 4.440 2.235 -9.186
370 HB3 CYS 56 3HB CYS 56 6.127 2.007 -8.736
371 H ASN 57 H ASN 57 7.218 -0.871 -9.256
372 HA ASN 57 HA ASN 57 9.184 -0.189 -11.328
373 HB2 ASN 57 2HB ASN 57 10.877 -1.030 -9.763
374 HB3 ASN 57 3HB ASN 57 9.891 0.221 -9.012
375 HD21 ASN 57 1HD2 ASN 57 11.460 -2.278 -8.118
376 HD22 ASN 57 2HD2 ASN 57 10.375 -3.042 -7.011
Start of MODEL 5
1 H1 LEU 1 H LEU 1 1.949 0.508 0.799
2 HA LEU 1 HA LEU 1 1.050 -0.300 -1.677
3 HB2 LEU 1 2HB LEU 1 2.805 1.553 -0.801
4 HB3 LEU 1 3HB LEU 1 3.913 0.393 -1.531
5 HG LEU 1 HG LEU 1 2.541 0.590 -3.641
6 HD11 LEU 1 1HD1 LEU 1 1.196 2.629 -1.937
7 HD12 LEU 1 2HD1 LEU 1 0.508 1.500 -3.103
8 HD13 LEU 1 3HD1 LEU 1 1.368 2.933 -3.666
9 HD21 LEU 1 3HD2 LEU 1 3.440 3.028 -4.018
10 HD22 LEU 1 1HD2 LEU 1 4.553 1.676 -3.812
11 HD23 LEU 1 2HD2 LEU 1 4.215 2.753 -2.457
12 H GLN 2 H GLN 2 2.657 -1.271 -3.393
13 HA GLN 2 HA GLN 2 3.917 -3.686 -2.293
14 HB2 GLN 2 2HB GLN 2 1.674 -3.497 -4.203
15 HB3 GLN 2 3HB GLN 2 2.950 -4.623 -4.647
16 HG2 GLN 2 2HG GLN 2 2.707 -5.663 -2.391
17 HG3 GLN 2 3HG GLN 2 1.297 -4.635 -2.137
18 HE21 GLN 2 1HE2 GLN 2 2.515 -6.586 -4.843
19 HE22 GLN 2 2HE2 GLN 2 1.048 -7.463 -5.093
20 H CYS 3 H CYS 3 5.580 -4.599 -3.587
21 HA CYS 3 HA CYS 3 6.521 -2.951 -5.823
22 HB2 CYS 3 2HB CYS 3 8.418 -3.947 -3.704
23 HB3 CYS 3 3HB CYS 3 8.726 -2.768 -4.975
24 H ASN 4 H ASN 4 7.816 -4.037 -7.340
25 HA ASN 4 HA ASN 4 7.270 -6.847 -7.547
26 HB2 ASN 4 2HB ASN 4 8.818 -4.923 -9.286
27 HB3 ASN 4 3HB ASN 4 8.638 -6.632 -9.672
28 HD21 ASN 4 1HD2 ASN 4 6.735 -3.758 -8.869
29 HD22 ASN 4 2HD2 ASN 4 5.406 -4.136 -9.907
30 H THR 5 H THR 5 8.862 -8.508 -7.811
31 HA THR 5 HA THR 5 11.393 -7.927 -6.413
32 HB THR 5 HB THR 5 11.366 -10.124 -5.442
33 HG1 THR 5 HG1 THR 5 9.684 -11.585 -5.893
34 HG21 THR 5 3HG2 THR 5 10.075 -9.365 -3.794
35 HG22 THR 5 1HG2 THR 5 8.626 -9.735 -4.728
36 HG23 THR 5 2HG2 THR 5 9.405 -8.161 -4.895
37 H LEU 6 H LEU 6 13.211 -9.299 -6.993
38 HA LEU 6 HA LEU 6 13.529 -9.525 -9.794
39 HB2 LEU 6 2HB LEU 6 15.723 -10.144 -9.366
40 HB3 LEU 6 3HB LEU 6 15.301 -9.130 -7.987
41 HG LEU 6 HG LEU 6 15.305 -12.147 -7.946
42 HD11 LEU 6 1HD1 LEU 6 17.384 -10.169 -7.028
43 HD12 LEU 6 2HD1 LEU 6 17.559 -11.401 -8.278
44 HD13 LEU 6 3HD1 LEU 6 17.368 -11.878 -6.591
45 HD21 LEU 6 3HD2 LEU 6 15.482 -11.496 -5.407
46 HD22 LEU 6 1HD2 LEU 6 13.917 -11.568 -6.218
47 HD23 LEU 6 2HD2 LEU 6 14.705 -10.011 -5.958
48 H ASP 7 H ASP 7 12.366 -11.690 -7.389
49 HA ASP 7 HA ASP 7 12.879 -14.109 -8.846
50 HB2 ASP 7 2HB ASP 7 12.450 -13.732 -6.275
51 HB3 ASP 7 3HB ASP 7 10.762 -13.922 -6.740
52 H GLY 8 H GLY 8 10.782 -11.601 -9.357
53 HA2 GLY 8 2HA GLY 8 9.254 -11.516 -11.150
54 HA3 GLY 8 3HA GLY 8 9.124 -13.267 -11.093
55 H GLY 9 H GLY 9 8.882 -12.556 -7.983
56 HA2 GLY 9 2HA GLY 9 5.963 -12.607 -8.077
57 HA3 GLY 9 3HA GLY 9 6.965 -12.954 -6.675
58 H THR 10 H THR 10 4.961 -11.471 -6.029
59 HA THR 10 HA THR 10 5.846 -8.665 -6.149
60 HB THR 10 HB THR 10 3.439 -8.258 -5.261
61 HG1 THR 10 HG1 THR 10 2.807 -10.617 -6.646
62 HG21 THR 10 3HG2 THR 10 4.294 -7.661 -7.521
63 HG22 THR 10 1HG2 THR 10 2.586 -8.100 -7.511
64 HG23 THR 10 2HG2 THR 10 3.790 -9.253 -8.090
65 H GLU 11 H GLU 11 6.036 -7.456 -4.277
66 HA GLU 11 HA GLU 11 5.812 -8.942 -1.744
67 HB2 GLU 11 2HB GLU 11 7.827 -7.841 -0.937
68 HB3 GLU 11 3HB GLU 11 8.170 -8.731 -2.414
69 HG2 GLU 11 2HG GLU 11 8.493 -6.832 -3.653
70 HG3 GLU 11 3HG GLU 11 7.481 -5.843 -2.602
71 H GLU 12 H GLU 12 5.171 -7.776 0.072
72 HA GLU 12 HA GLU 12 3.671 -5.362 -0.531
73 HB2 GLU 12 2HB GLU 12 3.851 -6.928 2.048
74 HB3 GLU 12 3HB GLU 12 2.706 -5.642 1.695
75 HG2 GLU 12 2HG GLU 12 1.650 -6.978 -0.002
76 HG3 GLU 12 3HG GLU 12 2.864 -8.241 0.188
77 H CYS 13 H CYS 13 4.628 -3.453 -0.381
78 HA CYS 13 HA CYS 13 6.959 -3.102 1.323
79 HB2 CYS 13 2HB CYS 13 5.622 -1.198 -0.612
80 HB3 CYS 13 3HB CYS 13 7.136 -0.892 0.233
81 H ILE 14 H ILE 14 6.827 -2.350 3.322
82 HA ILE 14 HA ILE 14 4.384 -1.472 4.466
83 HB ILE 14 HB ILE 14 7.178 -1.215 5.582
84 HG12 ILE 14 2HG1 ILE 14 5.130 -3.357 6.163
85 HG13 ILE 14 3HG1 ILE 14 6.400 -3.546 4.959
86 HG21 ILE 14 1HG2 ILE 14 4.520 -1.183 7.004
87 HG22 ILE 14 2HG2 ILE 14 6.112 -1.018 7.743
88 HG23 ILE 14 3HG2 ILE 14 5.506 0.239 6.664
89 HD11 ILE 14 3HD1 ILE 14 7.523 -2.678 7.448
90 HD12 ILE 14 1HD1 ILE 14 6.532 -4.116 7.687
91 HD13 ILE 14 2HD1 ILE 14 7.851 -4.138 6.516
92 HA PRO 15 HA PRO 15 4.543 2.805 3.347
93 HB2 PRO 15 2HB PRO 15 2.620 3.681 5.052
94 HB3 PRO 15 3HB PRO 15 2.257 2.781 3.575
95 HG2 PRO 15 2HG PRO 15 2.417 1.800 6.399
96 HG3 PRO 15 3HG PRO 15 1.222 1.414 5.146
97 HD2 PRO 15 2HD PRO 15 3.268 -0.246 5.769
98 HD3 PRO 15 3HD PRO 15 2.601 -0.126 4.128
99 H GLY 16 H GLY 16 6.751 2.870 4.356
100 HA2 GLY 16 2HA GLY 16 7.130 5.025 5.984
101 HA3 GLY 16 3HA GLY 16 6.963 3.684 7.107
102 H ILE 17 H ILE 17 8.280 1.652 5.962
103 HA ILE 17 HA ILE 17 11.020 2.460 6.263
104 HB ILE 17 HB ILE 17 10.012 -0.260 5.437
105 HG12 ILE 17 2HG1 ILE 17 10.453 0.824 8.228
106 HG13 ILE 17 3HG1 ILE 17 8.886 0.485 7.501
107 HG21 ILE 17 1HG2 ILE 17 12.507 0.479 6.950
108 HG22 ILE 17 2HG2 ILE 17 12.087 -1.085 6.253
109 HG23 ILE 17 3HG2 ILE 17 12.453 0.281 5.199
110 HD11 ILE 17 3HD1 ILE 17 9.855 -1.912 7.212
111 HD12 ILE 17 1HD1 ILE 17 10.969 -1.403 8.480
112 HD13 ILE 17 2HD1 ILE 17 9.230 -1.388 8.775
113 H TYR 18 H TYR 18 8.899 1.637 3.615
114 HA TYR 18 HA TYR 18 11.096 2.223 1.746
115 HB2 TYR 18 2HB TYR 18 8.896 0.257 1.130
116 HB3 TYR 18 3HB TYR 18 10.404 0.511 0.259
117 HD1 TYR 18 HD2 TYR 18 12.502 0.334 2.128
118 HD2 TYR 18 HD1 TYR 18 8.828 -1.812 2.132
119 HE1 TYR 18 HE2 TYR 18 13.560 -1.463 3.430
120 HE2 TYR 18 HE1 TYR 18 9.876 -3.615 3.435
121 HH TYR 18 HH TYR 18 13.242 -3.372 4.531
122 H ASN 19 H ASN 19 10.672 4.027 0.678
123 HA ASN 19 HA ASN 19 7.868 4.647 0.015
124 HB2 ASN 19 2HB ASN 19 8.235 6.927 0.398
125 HB3 ASN 19 3HB ASN 19 9.120 6.151 1.709
126 HD21 ASN 19 1HD2 ASN 19 11.380 6.099 1.638
127 HD22 ASN 19 2HD2 ASN 19 12.279 7.180 0.634
128 H VAL 20 H VAL 20 10.910 3.903 -1.195
129 HA VAL 20 HA VAL 20 10.247 5.068 -3.821
130 HB VAL 20 HB VAL 20 12.660 4.922 -4.352
131 HG11 VAL 20 1HG1 VAL 20 11.860 7.044 -3.650
132 HG12 VAL 20 2HG1 VAL 20 11.847 6.553 -1.955
133 HG13 VAL 20 3HG1 VAL 20 13.381 6.769 -2.800
134 HG21 VAL 20 3HG2 VAL 20 12.933 3.128 -2.447
135 HG22 VAL 20 1HG2 VAL 20 14.267 4.194 -2.888
136 HG23 VAL 20 2HG2 VAL 20 13.289 4.548 -1.464
137 H CYS 21 H CYS 21 11.397 3.767 -5.640
138 HA CYS 21 HA CYS 21 11.643 0.938 -5.204
139 HB2 CYS 21 2HB CYS 21 9.801 0.427 -6.905
140 HB3 CYS 21 3HB CYS 21 9.285 0.879 -5.284
141 H VAL 22 H VAL 22 12.778 -0.054 -6.815
142 HA VAL 22 HA VAL 22 13.310 1.493 -9.259
143 HB VAL 22 HB VAL 22 15.306 0.334 -7.351
144 HG11 VAL 22 1HG1 VAL 22 16.047 -0.778 -9.248
145 HG12 VAL 22 2HG1 VAL 22 15.562 0.531 -10.327
146 HG13 VAL 22 3HG1 VAL 22 16.974 0.722 -9.288
147 HG21 VAL 22 3HG2 VAL 22 14.634 2.784 -7.432
148 HG22 VAL 22 1HG2 VAL 22 16.360 2.434 -7.530
149 HG23 VAL 22 2HG2 VAL 22 15.460 2.852 -8.989
150 H HIS 23 H HIS 23 13.454 0.328 -11.118
151 HA HIS 23 HA HIS 23 13.287 -2.604 -10.887
152 HB2 HIS 23 2HB HIS 23 11.087 -1.830 -11.466
153 HB3 HIS 23 3HB HIS 23 11.730 -0.777 -12.723
154 HD1 HIS 23 HD1 HIS 23 10.175 -1.996 -14.441
155 HD2 HIS 23 HD2 HIS 23 13.072 -4.408 -12.694
156 HE1 HIS 23 HE1 HIS 23 10.256 -4.077 -15.850
157 H TYR 24 H TYR 24 15.100 -3.433 -11.680
158 HA TYR 24 HA TYR 24 16.434 -2.079 -13.917
159 HB2 TYR 24 2HB TYR 24 17.737 -2.546 -11.830
160 HB3 TYR 24 3HB TYR 24 17.525 -4.266 -12.136
161 HD1 TYR 24 HD1 TYR 24 18.378 -5.141 -14.427
162 HD2 TYR 24 HD2 TYR 24 19.579 -1.436 -12.715
163 HE1 TYR 24 HE1 TYR 24 20.383 -5.141 -15.851
164 HE2 TYR 24 HE2 TYR 24 21.587 -1.425 -14.134
165 HH TYR 24 HH TYR 24 22.593 -2.391 -15.910
166 H LYS 25 H LYS 25 16.022 -2.844 -15.871
167 HA LYS 25 HA LYS 25 15.687 -5.750 -16.207
168 HB2 LYS 25 2HB LYS 25 13.501 -4.816 -16.459
169 HB3 LYS 25 3HB LYS 25 14.104 -3.521 -17.486
170 HG2 LYS 25 2HG LYS 25 12.942 -5.165 -18.814
171 HG3 LYS 25 3HG LYS 25 14.661 -5.171 -19.216
172 HD2 LYS 25 2HD LYS 25 14.950 -7.110 -17.683
173 HD3 LYS 25 3HD LYS 25 13.199 -7.140 -17.458
174 HE2 LYS 25 2HE LYS 25 14.472 -7.302 -20.176
175 HE3 LYS 25 3HE LYS 25 14.184 -8.734 -19.189
176 HZ1 LYS 25 3HZ LYS 25 11.898 -6.994 -19.460
177 HZ2 LYS 25 1HZ LYS 25 12.003 -8.676 -19.607
178 HZ3 LYS 25 2HZ LYS 25 12.413 -7.685 -20.915
179 H SER 26 H SER 26 17.317 -6.524 -17.361
180 HA SER 26 HA SER 26 18.267 -4.981 -19.675
181 HB2 SER 26 2HB SER 26 19.917 -6.188 -17.466
182 HB3 SER 26 3HB SER 26 20.597 -5.936 -19.074
183 HG SER 26 HG SER 26 19.846 -3.694 -18.807
184 H GLU 27 H GLU 27 19.431 -6.308 -21.267
185 HA GLU 27 HA GLU 27 18.025 -8.755 -21.748
186 HB2 GLU 27 2HB GLU 27 20.419 -7.750 -23.279
187 HB3 GLU 27 3HB GLU 27 19.135 -8.805 -23.851
188 HG2 GLU 27 2HG GLU 27 18.768 -5.921 -23.076
189 HG3 GLU 27 3HG GLU 27 18.982 -6.506 -24.725
190 H ASP 28 H ASP 28 20.853 -7.949 -20.074
191 HA ASP 28 HA ASP 28 21.961 -10.653 -20.361
192 HB2 ASP 28 2HB ASP 28 23.270 -8.301 -20.498
193 HB3 ASP 28 3HB ASP 28 23.411 -8.614 -18.771
194 H GLU 29 H GLU 29 20.376 -8.524 -18.147
195 HA GLU 29 HA GLU 29 20.015 -10.662 -16.260
196 HB2 GLU 29 2HB GLU 29 21.058 -9.645 -14.361
197 HB3 GLU 29 3HB GLU 29 22.255 -9.724 -15.646
198 HG2 GLU 29 2HG GLU 29 21.690 -7.338 -16.180
199 HG3 GLU 29 3HG GLU 29 20.729 -7.314 -14.703
200 H GLU 30 H GLU 30 18.640 -9.948 -14.394
201 HA GLU 30 HA GLU 30 17.190 -7.474 -14.706
202 HB2 GLU 30 2HB GLU 30 16.091 -8.931 -16.369
203 HB3 GLU 30 3HB GLU 30 15.754 -10.105 -15.105
204 HG2 GLU 30 2HG GLU 30 14.425 -8.348 -13.934
205 HG3 GLU 30 3HG GLU 30 14.644 -7.322 -15.350
206 H TYR 31 H TYR 31 16.730 -6.753 -12.740
207 HA TYR 31 HA TYR 31 15.785 -8.523 -10.665
208 HB2 TYR 31 2HB TYR 31 17.542 -7.957 -9.051
209 HB3 TYR 31 3HB TYR 31 18.214 -8.793 -10.446
210 HD1 TYR 31 HD1 TYR 31 17.767 -5.429 -8.939
211 HD2 TYR 31 HD2 TYR 31 19.930 -7.815 -11.719
212 HE1 TYR 31 HE1 TYR 31 19.371 -3.592 -9.259
213 HE2 TYR 31 HE2 TYR 31 21.541 -5.985 -12.045
214 HH TYR 31 HH TYR 31 22.306 -4.015 -11.098
215 H LYS 32 H LYS 32 15.190 -7.319 -8.685
216 HA LYS 32 HA LYS 32 14.828 -4.441 -9.095
217 HB2 LYS 32 2HB LYS 32 12.642 -6.451 -8.589
218 HB3 LYS 32 3HB LYS 32 12.449 -4.749 -8.191
219 HG2 LYS 32 2HG LYS 32 12.167 -4.149 -10.332
220 HG3 LYS 32 3HG LYS 32 13.399 -5.270 -10.916
221 HD2 LYS 32 2HD LYS 32 10.668 -6.144 -9.991
222 HD3 LYS 32 3HD LYS 32 11.044 -5.753 -11.671
223 HE2 LYS 32 2HE LYS 32 12.621 -7.774 -10.102
224 HE3 LYS 32 3HE LYS 32 11.157 -8.208 -10.985
225 HZ1 LYS 32 3HZ LYS 32 13.447 -6.840 -12.272
226 HZ2 LYS 32 1HZ LYS 32 12.146 -7.621 -13.020
227 HZ3 LYS 32 2HZ LYS 32 13.318 -8.525 -12.201
228 H SER 33 H SER 33 15.092 -3.261 -7.288
229 HA SER 33 HA SER 33 14.587 -4.250 -4.664
230 HB2 SER 33 2HB SER 33 17.392 -4.277 -5.715
231 HB3 SER 33 3HB SER 33 17.112 -3.879 -4.020
232 HG SER 33 HG SER 33 16.564 -6.273 -5.398
233 H CYS 34 H CYS 34 14.583 -2.627 -3.133
234 HA CYS 34 HA CYS 34 15.860 -0.156 -3.311
235 HB2 CYS 34 2HB CYS 34 13.897 -0.278 -5.226
236 HB3 CYS 34 3HB CYS 34 13.052 0.485 -3.883
237 H GLY 35 H GLY 35 14.100 1.573 -2.131
238 HA2 GLY 35 2HA GLY 35 12.372 0.653 -0.191
239 HA3 GLY 35 3HA GLY 35 13.973 0.529 0.523
240 H ILE 36 H ILE 36 15.275 2.506 0.610
241 HA ILE 36 HA ILE 36 13.551 4.862 0.988
242 HB ILE 36 HB ILE 36 15.530 5.672 2.413
243 HG12 ILE 36 2HG1 ILE 36 16.130 2.707 2.348
244 HG13 ILE 36 3HG1 ILE 36 17.134 3.967 1.640
245 HG21 ILE 36 1HG2 ILE 36 14.372 5.033 4.242
246 HG22 ILE 36 2HG2 ILE 36 13.215 4.460 3.042
247 HG23 ILE 36 3HG2 ILE 36 14.358 3.333 3.772
248 HD11 ILE 36 3HD1 ILE 36 16.482 3.764 4.569
249 HD12 ILE 36 1HD1 ILE 36 17.948 3.131 3.821
250 HD13 ILE 36 2HD1 ILE 36 17.627 4.865 3.803
251 H GLN 37 H GLN 37 14.011 6.754 -0.010
252 HA GLN 37 HA GLN 37 15.419 6.843 -2.372
253 HB2 GLN 37 2HB GLN 37 13.744 8.529 -1.504
254 HB3 GLN 37 3HB GLN 37 15.052 9.225 -0.556
255 HG2 GLN 37 2HG GLN 37 15.401 10.537 -2.315
256 HG3 GLN 37 3HG GLN 37 16.143 9.122 -3.059
257 HE21 GLN 37 1HE2 GLN 37 14.620 7.678 -4.245
258 HE22 GLN 37 2HE2 GLN 37 13.370 8.430 -5.171
259 H GLU 38 H GLU 38 16.584 7.320 0.886
260 HA GLU 38 HA GLU 38 19.043 8.545 0.290
261 HB2 GLU 38 2HB GLU 38 18.083 6.872 2.597
262 HB3 GLU 38 3HB GLU 38 19.741 7.453 2.521
263 HG2 GLU 38 2HG GLU 38 18.918 9.758 2.401
264 HG3 GLU 38 3HG GLU 38 17.263 9.162 2.514
265 H GLU 39 H GLU 39 18.070 5.160 0.442
266 HA GLU 39 HA GLU 39 20.763 4.229 -0.080
267 HB2 GLU 39 2HB GLU 39 18.114 2.854 0.308
268 HB3 GLU 39 3HB GLU 39 19.533 1.973 -0.241
269 HG2 GLU 39 2HG GLU 39 20.727 2.609 1.781
270 HG3 GLU 39 3HG GLU 39 19.324 3.523 2.330
271 H CYS 40 H CYS 40 17.667 4.407 -1.790
272 HA CYS 40 HA CYS 40 18.474 3.107 -4.144
273 HB2 CYS 40 2HB CYS 40 16.187 4.623 -3.229
274 HB3 CYS 40 3HB CYS 40 16.583 5.040 -4.893
275 H GLU 41 H GLU 41 18.708 6.468 -3.121
276 HA GLU 41 HA GLU 41 19.439 7.622 -5.557
277 HB2 GLU 41 2HB GLU 41 18.847 8.963 -3.611
278 HB3 GLU 41 3HB GLU 41 20.268 8.387 -2.753
279 HG2 GLU 41 2HG GLU 41 20.690 9.728 -5.360
280 HG3 GLU 41 3HG GLU 41 20.207 10.725 -3.989
281 H ASP 42 H ASP 42 21.206 5.579 -3.417
282 HA ASP 42 HA ASP 42 23.837 6.253 -3.908
283 HB2 ASP 42 2HB ASP 42 22.905 4.432 -2.368
284 HB3 ASP 42 3HB ASP 42 22.896 3.392 -3.790
285 H ALA 43 H ALA 43 21.548 4.657 -5.998
286 HA ALA 43 HA ALA 43 23.406 3.626 -7.876
287 HB1 ALA 43 1HB ALA 43 20.918 3.036 -7.545
288 HB2 ALA 43 2HB ALA 43 20.610 4.415 -8.601
289 HB3 ALA 43 3HB ALA 43 21.572 3.057 -9.183
290 H GLU 44 H GLU 44 24.882 5.318 -8.285
291 HA GLU 44 HA GLU 44 24.025 7.842 -9.321
292 HB2 GLU 44 2HB GLU 44 26.768 6.580 -9.461
293 HB3 GLU 44 3HB GLU 44 26.386 8.281 -9.691
294 HG2 GLU 44 2HG GLU 44 25.616 8.400 -7.358
295 HG3 GLU 44 3HG GLU 44 26.079 6.713 -7.141
296 H GLY 45 H GLY 45 24.184 8.625 -11.434
297 HA2 GLY 45 2HA GLY 45 24.724 8.386 -13.753
298 HA3 GLY 45 3HA GLY 45 24.712 6.641 -13.539
299 H ALA 46 H ALA 46 22.248 6.444 -12.143
300 HA ALA 46 HA ALA 46 20.363 7.245 -14.265
301 HB1 ALA 46 1HB ALA 46 20.525 4.922 -14.452
302 HB2 ALA 46 2HB ALA 46 20.563 4.691 -12.703
303 HB3 ALA 46 3HB ALA 46 19.065 5.177 -13.497
304 H THR 47 H THR 47 18.269 7.858 -13.650
305 HA THR 47 HA THR 47 18.119 8.979 -10.968
306 HB THR 47 HB THR 47 17.508 10.367 -12.939
307 HG1 THR 47 HG1 THR 47 15.247 9.917 -11.274
308 HG21 THR 47 3HG2 THR 47 15.481 9.976 -14.153
309 HG22 THR 47 1HG2 THR 47 15.059 8.614 -13.116
310 HG23 THR 47 2HG2 THR 47 16.434 8.493 -14.213
311 H VAL 48 H VAL 48 16.618 8.442 -9.434
312 HA VAL 48 HA VAL 48 15.152 5.942 -9.906
313 HB VAL 48 HB VAL 48 15.887 7.275 -7.296
314 HG11 VAL 48 1HG1 VAL 48 15.195 5.011 -6.370
315 HG12 VAL 48 2HG1 VAL 48 13.896 6.081 -6.903
316 HG13 VAL 48 3HG1 VAL 48 14.407 4.736 -7.923
317 HG21 VAL 48 3HG2 VAL 48 17.283 5.413 -9.045
318 HG22 VAL 48 1HG2 VAL 48 17.888 6.364 -7.689
319 HG23 VAL 48 2HG2 VAL 48 17.109 4.809 -7.397
320 H LEU 49 H LEU 49 13.047 6.081 -10.275
321 HA LEU 49 HA LEU 49 11.523 8.237 -8.973
322 HB2 LEU 49 2HB LEU 49 11.676 8.908 -11.227
323 HB3 LEU 49 3HB LEU 49 11.386 7.272 -11.814
324 HG LEU 49 HG LEU 49 9.183 8.449 -10.258
325 HD11 LEU 49 1HD1 LEU 49 10.341 9.821 -12.586
326 HD12 LEU 49 2HD1 LEU 49 9.301 10.437 -11.302
327 HD13 LEU 49 3HD1 LEU 49 8.600 9.546 -12.653
328 HD21 LEU 49 3HD2 LEU 49 8.687 7.479 -12.956
329 HD22 LEU 49 1HD2 LEU 49 7.999 6.956 -11.418
330 HD23 LEU 49 2HD2 LEU 49 9.552 6.312 -11.953
331 H CYS 50 H CYS 50 9.653 7.656 -8.011
332 HA CYS 50 HA CYS 50 8.719 4.890 -8.408
333 HB2 CYS 50 2HB CYS 50 9.949 5.474 -6.188
334 HB3 CYS 50 3HB CYS 50 8.450 6.298 -5.770
335 H CYS 51 H CYS 51 6.488 4.528 -8.258
336 HA CYS 51 HA CYS 51 4.874 6.933 -8.710
337 HB2 CYS 51 2HB CYS 51 3.865 4.143 -9.144
338 HB3 CYS 51 3HB CYS 51 3.410 5.630 -9.968
339 HA PRO 52 HA PRO 52 2.755 6.592 -4.878
340 HB2 PRO 52 2HB PRO 52 0.328 7.598 -5.564
341 HB3 PRO 52 3HB PRO 52 1.771 8.604 -5.394
342 HG2 PRO 52 2HG PRO 52 0.513 7.501 -7.876
343 HG3 PRO 52 3HG PRO 52 1.172 9.120 -7.581
344 HD2 PRO 52 2HD PRO 52 2.544 7.211 -8.925
345 HD3 PRO 52 3HD PRO 52 3.347 8.433 -7.917
346 H GLU 53 H GLU 53 1.853 4.798 -7.611
347 HA GLU 53 HA GLU 53 -0.347 3.428 -6.279
348 HB2 GLU 53 2HB GLU 53 0.797 3.350 -9.054
349 HB3 GLU 53 3HB GLU 53 -0.280 2.079 -8.495
350 HG2 GLU 53 2HG GLU 53 -2.087 3.357 -8.720
351 HG3 GLU 53 3HG GLU 53 -1.308 4.747 -7.966
352 H ASP 54 H ASP 54 -0.234 0.894 -6.896
353 HA ASP 54 HA ASP 54 2.138 -0.064 -5.483
354 HB2 ASP 54 2HB ASP 54 0.774 -2.243 -5.446
355 HB3 ASP 54 3HB ASP 54 0.184 -0.897 -4.476
356 H LEU 55 H LEU 55 3.457 -1.715 -6.264
357 HA LEU 55 HA LEU 55 4.675 -2.821 -7.834
358 HB2 LEU 55 2HB LEU 55 1.975 -3.092 -9.148
359 HB3 LEU 55 3HB LEU 55 3.417 -4.004 -9.591
360 HG LEU 55 HG LEU 55 1.862 -4.191 -7.015
361 HD11 LEU 55 1HD1 LEU 55 2.451 -6.430 -8.903
362 HD12 LEU 55 2HD1 LEU 55 1.113 -5.327 -9.226
363 HD13 LEU 55 3HD1 LEU 55 1.143 -6.263 -7.732
364 HD21 LEU 55 3HD2 LEU 55 4.208 -4.373 -6.492
365 HD22 LEU 55 1HD2 LEU 55 4.452 -5.512 -7.817
366 HD23 LEU 55 2HD2 LEU 55 3.472 -5.975 -6.425
367 H CYS 56 H CYS 56 5.358 -0.429 -8.164
368 HA CYS 56 HA CYS 56 4.718 0.486 -10.875
369 HB2 CYS 56 2HB CYS 56 4.506 2.153 -9.098
370 HB3 CYS 56 3HB CYS 56 6.179 1.881 -8.623
371 H ASN 57 H ASN 57 7.177 -1.043 -9.047
372 HA ASN 57 HA ASN 57 9.126 -0.589 -11.207
373 HB2 ASN 57 2HB ASN 57 10.885 -0.974 -9.636
374 HB3 ASN 57 3HB ASN 57 9.765 0.155 -8.879
375 HD21 ASN 57 1HD2 ASN 57 11.698 -2.204 -8.105
376 HD22 ASN 57 2HD2 ASN 57 10.802 -3.006 -6.865
Start of MODEL 6
1 H1 LEU 1 H LEU 1 2.201 -0.412 0.940
2 HA LEU 1 HA LEU 1 0.973 -0.372 -1.739
3 HB2 LEU 1 2HB LEU 1 2.682 1.487 -0.813
4 HB3 LEU 1 3HB LEU 1 3.831 0.321 -1.464
5 HG LEU 1 HG LEU 1 2.529 0.481 -3.642
6 HD11 LEU 1 1HD1 LEU 1 1.456 2.877 -3.745
7 HD12 LEU 1 2HD1 LEU 1 1.193 2.591 -2.025
8 HD13 LEU 1 3HD1 LEU 1 0.517 1.480 -3.216
9 HD21 LEU 1 3HD2 LEU 1 4.246 2.597 -2.442
10 HD22 LEU 1 1HD2 LEU 1 3.530 2.881 -4.029
11 HD23 LEU 1 2HD2 LEU 1 4.582 1.488 -3.773
12 H GLN 2 H GLN 2 2.578 -1.379 -3.400
13 HA GLN 2 HA GLN 2 3.839 -3.770 -2.250
14 HB2 GLN 2 2HB GLN 2 1.632 -3.618 -4.218
15 HB3 GLN 2 3HB GLN 2 2.906 -4.777 -4.573
16 HG2 GLN 2 2HG GLN 2 2.577 -5.726 -2.292
17 HG3 GLN 2 3HG GLN 2 1.183 -4.663 -2.112
18 HE21 GLN 2 1HE2 GLN 2 2.423 -6.727 -4.721
19 HE22 GLN 2 2HE2 GLN 2 0.947 -7.589 -4.972
20 H CYS 3 H CYS 3 5.513 -4.702 -3.521
21 HA CYS 3 HA CYS 3 6.468 -3.088 -5.774
22 HB2 CYS 3 2HB CYS 3 8.348 -4.029 -3.614
23 HB3 CYS 3 3HB CYS 3 8.666 -2.879 -4.910
24 H ASN 4 H ASN 4 7.692 -4.201 -7.297
25 HA ASN 4 HA ASN 4 7.215 -7.028 -7.403
26 HB2 ASN 4 2HB ASN 4 8.752 -5.190 -9.252
27 HB3 ASN 4 3HB ASN 4 8.411 -6.885 -9.587
28 HD21 ASN 4 1HD2 ASN 4 6.916 -3.761 -8.972
29 HD22 ASN 4 2HD2 ASN 4 5.462 -4.079 -9.850
30 H THR 5 H THR 5 8.919 -8.615 -7.831
31 HA THR 5 HA THR 5 11.436 -7.951 -6.446
32 HB THR 5 HB THR 5 11.515 -10.164 -5.492
33 HG1 THR 5 HG1 THR 5 9.900 -11.678 -5.904
34 HG21 THR 5 3HG2 THR 5 9.667 -10.055 -3.947
35 HG22 THR 5 1HG2 THR 5 8.742 -9.049 -5.061
36 HG23 THR 5 2HG2 THR 5 10.203 -8.414 -4.304
37 H LEU 6 H LEU 6 13.262 -9.380 -7.023
38 HA LEU 6 HA LEU 6 13.590 -9.516 -9.828
39 HB2 LEU 6 2HB LEU 6 15.770 -10.195 -9.411
40 HB3 LEU 6 3HB LEU 6 15.361 -9.211 -8.007
41 HG LEU 6 HG LEU 6 14.731 -11.614 -7.026
42 HD11 LEU 6 1HD1 LEU 6 16.985 -12.865 -7.947
43 HD12 LEU 6 2HD1 LEU 6 16.322 -12.142 -9.413
44 HD13 LEU 6 3HD1 LEU 6 15.332 -13.232 -8.442
45 HD21 LEU 6 3HD2 LEU 6 16.406 -9.822 -6.266
46 HD22 LEU 6 1HD2 LEU 6 17.613 -10.789 -7.114
47 HD23 LEU 6 2HD2 LEU 6 16.699 -11.492 -5.780
48 H ASP 7 H ASP 7 12.486 -11.788 -7.462
49 HA ASP 7 HA ASP 7 12.907 -14.127 -9.072
50 HB2 ASP 7 2HB ASP 7 12.674 -13.948 -6.486
51 HB3 ASP 7 3HB ASP 7 10.942 -13.983 -6.805
52 H GLY 8 H GLY 8 10.797 -11.591 -9.330
53 HA2 GLY 8 2HA GLY 8 9.177 -11.413 -11.037
54 HA3 GLY 8 3HA GLY 8 9.031 -13.164 -11.048
55 H GLY 9 H GLY 9 8.972 -12.588 -7.902
56 HA2 GLY 9 2HA GLY 9 6.071 -12.705 -7.802
57 HA3 GLY 9 3HA GLY 9 7.174 -12.948 -6.456
58 H THR 10 H THR 10 5.137 -11.544 -5.736
59 HA THR 10 HA THR 10 5.925 -8.712 -5.947
60 HB THR 10 HB THR 10 3.485 -8.370 -5.074
61 HG1 THR 10 HG1 THR 10 2.603 -10.301 -4.804
62 HG21 THR 10 3HG2 THR 10 4.466 -7.788 -7.344
63 HG22 THR 10 1HG2 THR 10 2.725 -8.063 -7.294
64 HG23 THR 10 2HG2 THR 10 3.798 -9.317 -7.915
65 H GLU 11 H GLU 11 6.064 -7.470 -4.092
66 HA GLU 11 HA GLU 11 5.848 -8.927 -1.541
67 HB2 GLU 11 2HB GLU 11 7.810 -7.735 -0.724
68 HB3 GLU 11 3HB GLU 11 8.205 -8.641 -2.178
69 HG2 GLU 11 2HG GLU 11 8.512 -6.764 -3.438
70 HG3 GLU 11 3HG GLU 11 7.404 -5.796 -2.466
71 H GLU 12 H GLU 12 5.138 -7.764 0.250
72 HA GLU 12 HA GLU 12 3.562 -5.412 -0.403
73 HB2 GLU 12 2HB GLU 12 3.754 -6.912 2.213
74 HB3 GLU 12 3HB GLU 12 2.546 -5.709 1.783
75 HG2 GLU 12 2HG GLU 12 1.656 -7.170 0.071
76 HG3 GLU 12 3HG GLU 12 2.907 -8.363 0.411
77 H CYS 13 H CYS 13 4.577 -3.516 -0.357
78 HA CYS 13 HA CYS 13 6.760 -3.061 1.518
79 HB2 CYS 13 2HB CYS 13 5.662 -1.384 -0.746
80 HB3 CYS 13 3HB CYS 13 7.014 -0.903 0.275
81 H ILE 14 H ILE 14 6.241 -2.407 3.495
82 HA ILE 14 HA ILE 14 3.762 -1.136 4.118
83 HB ILE 14 HB ILE 14 4.681 -0.915 6.402
84 HG12 ILE 14 2HG1 ILE 14 7.160 -2.164 5.195
85 HG13 ILE 14 3HG1 ILE 14 7.029 -0.508 5.778
86 HG21 ILE 14 1HG2 ILE 14 5.245 -3.663 5.319
87 HG22 ILE 14 2HG2 ILE 14 4.646 -3.223 6.917
88 HG23 ILE 14 3HG2 ILE 14 3.613 -3.019 5.502
89 HD11 ILE 14 3HD1 ILE 14 6.219 -2.346 7.825
90 HD12 ILE 14 1HD1 ILE 14 7.818 -2.767 7.212
91 HD13 ILE 14 2HD1 ILE 14 7.512 -1.146 7.838
92 HA PRO 15 HA PRO 15 4.838 3.084 3.482
93 HB2 PRO 15 2HB PRO 15 3.066 4.244 5.181
94 HB3 PRO 15 3HB PRO 15 2.589 3.525 3.638
95 HG2 PRO 15 2HG PRO 15 2.421 2.374 6.396
96 HG3 PRO 15 3HG PRO 15 1.227 2.318 5.086
97 HD2 PRO 15 2HD PRO 15 2.858 0.234 5.662
98 HD3 PRO 15 3HD PRO 15 2.301 0.584 4.013
99 H GLY 16 H GLY 16 6.841 3.557 4.259
100 HA2 GLY 16 2HA GLY 16 7.503 5.174 6.198
101 HA3 GLY 16 3HA GLY 16 7.222 3.733 7.163
102 H ILE 17 H ILE 17 8.408 1.724 6.206
103 HA ILE 17 HA ILE 17 11.192 2.317 6.307
104 HB ILE 17 HB ILE 17 9.903 -0.304 5.547
105 HG12 ILE 17 2HG1 ILE 17 10.681 0.748 8.276
106 HG13 ILE 17 3HG1 ILE 17 9.037 0.500 7.698
107 HG21 ILE 17 1HG2 ILE 17 11.953 -1.327 6.117
108 HG22 ILE 17 2HG2 ILE 17 12.367 0.050 5.098
109 HG23 ILE 17 3HG2 ILE 17 12.575 0.153 6.846
110 HD11 ILE 17 3HD1 ILE 17 9.368 -1.382 8.952
111 HD12 ILE 17 1HD1 ILE 17 9.843 -1.957 7.354
112 HD13 ILE 17 2HD1 ILE 17 11.076 -1.498 8.530
113 H TYR 18 H TYR 18 8.936 1.503 3.738
114 HA TYR 18 HA TYR 18 11.074 2.044 1.786
115 HB2 TYR 18 2HB TYR 18 8.813 0.102 1.311
116 HB3 TYR 18 3HB TYR 18 10.255 0.341 0.330
117 HD1 TYR 18 HD1 TYR 18 12.448 0.237 2.172
118 HD2 TYR 18 HD2 TYR 18 8.846 -2.028 2.198
119 HE1 TYR 18 HE1 TYR 18 13.591 -1.555 3.409
120 HE2 TYR 18 HE2 TYR 18 9.979 -3.826 3.437
121 HH TYR 18 HH TYR 18 12.566 -3.557 5.114
122 H ASN 19 H ASN 19 10.647 3.876 0.764
123 HA ASN 19 HA ASN 19 7.839 4.519 0.142
124 HB2 ASN 19 2HB ASN 19 8.201 6.777 0.584
125 HB3 ASN 19 3HB ASN 19 9.161 5.994 1.835
126 HD21 ASN 19 1HD2 ASN 19 11.403 6.025 1.692
127 HD22 ASN 19 2HD2 ASN 19 12.240 7.118 0.648
128 H VAL 20 H VAL 20 10.898 3.824 -1.094
129 HA VAL 20 HA VAL 20 10.192 4.989 -3.709
130 HB VAL 20 HB VAL 20 12.600 4.893 -4.261
131 HG11 VAL 20 1HG1 VAL 20 11.821 6.470 -1.816
132 HG12 VAL 20 2HG1 VAL 20 13.308 6.739 -2.727
133 HG13 VAL 20 3HG1 VAL 20 11.742 6.986 -3.500
134 HG21 VAL 20 3HG2 VAL 20 14.244 4.213 -2.791
135 HG22 VAL 20 1HG2 VAL 20 13.222 4.450 -1.373
136 HG23 VAL 20 2HG2 VAL 20 12.953 3.066 -2.433
137 H CYS 21 H CYS 21 11.347 3.718 -5.545
138 HA CYS 21 HA CYS 21 11.624 0.885 -5.122
139 HB2 CYS 21 2HB CYS 21 9.800 0.374 -6.842
140 HB3 CYS 21 3HB CYS 21 9.268 0.811 -5.222
141 H VAL 22 H VAL 22 12.726 -0.115 -6.767
142 HA VAL 22 HA VAL 22 13.276 1.454 -9.190
143 HB VAL 22 HB VAL 22 15.277 0.339 -7.263
144 HG11 VAL 22 1HG1 VAL 22 16.952 0.718 -9.197
145 HG12 VAL 22 2HG1 VAL 22 16.044 -0.794 -9.138
146 HG13 VAL 22 3HG1 VAL 22 15.549 0.491 -10.240
147 HG21 VAL 22 3HG2 VAL 22 15.499 2.815 -8.938
148 HG22 VAL 22 1HG2 VAL 22 14.536 2.796 -7.461
149 HG23 VAL 22 2HG2 VAL 22 16.263 2.447 -7.392
150 H HIS 23 H HIS 23 13.439 0.291 -11.047
151 HA HIS 23 HA HIS 23 13.309 -2.643 -10.814
152 HB2 HIS 23 2HB HIS 23 11.108 -1.891 -11.418
153 HB3 HIS 23 3HB HIS 23 11.754 -0.836 -12.671
154 HD1 HIS 23 HD1 HIS 23 10.214 -2.084 -14.389
155 HD2 HIS 23 HD2 HIS 23 13.148 -4.443 -12.632
156 HE1 HIS 23 HE1 HIS 23 10.334 -4.166 -15.795
157 H TYR 24 H TYR 24 15.107 -3.488 -11.618
158 HA TYR 24 HA TYR 24 16.479 -2.105 -13.813
159 HB2 TYR 24 2HB TYR 24 17.745 -2.628 -11.710
160 HB3 TYR 24 3HB TYR 24 17.537 -4.338 -12.071
161 HD1 TYR 24 HD1 TYR 24 18.414 -5.132 -14.390
162 HD2 TYR 24 HD2 TYR 24 19.611 -1.504 -12.517
163 HE1 TYR 24 HE1 TYR 24 20.442 -5.089 -15.782
164 HE2 TYR 24 HE2 TYR 24 21.641 -1.450 -13.904
165 HH TYR 24 HH TYR 24 22.383 -4.071 -16.176
166 H LYS 25 H LYS 25 16.089 -2.832 -15.786
167 HA LYS 25 HA LYS 25 15.736 -5.729 -16.178
168 HB2 LYS 25 2HB LYS 25 13.560 -4.749 -16.429
169 HB3 LYS 25 3HB LYS 25 14.193 -3.472 -17.459
170 HG2 LYS 25 2HG LYS 25 14.665 -5.063 -19.212
171 HG3 LYS 25 3HG LYS 25 14.155 -6.397 -18.173
172 HD2 LYS 25 2HD LYS 25 12.267 -4.147 -18.720
173 HD3 LYS 25 3HD LYS 25 12.508 -5.399 -19.941
174 HE2 LYS 25 2HE LYS 25 12.010 -7.089 -18.139
175 HE3 LYS 25 3HE LYS 25 11.525 -5.739 -17.114
176 HZ1 LYS 25 3HZ LYS 25 9.591 -5.547 -18.176
177 HZ2 LYS 25 1HZ LYS 25 9.903 -7.081 -18.816
178 HZ3 LYS 25 2HZ LYS 25 10.292 -5.698 -19.708
179 H SER 26 H SER 26 17.375 -6.492 -17.325
180 HA SER 26 HA SER 26 18.356 -4.923 -19.607
181 HB2 SER 26 2HB SER 26 19.984 -6.152 -17.393
182 HB3 SER 26 3HB SER 26 20.680 -5.877 -18.990
183 HG SER 26 HG SER 26 20.952 -3.894 -18.391
184 H GLU 27 H GLU 27 19.534 -6.230 -21.201
185 HA GLU 27 HA GLU 27 18.139 -8.676 -21.720
186 HB2 GLU 27 2HB GLU 27 19.308 -8.715 -23.807
187 HB3 GLU 27 3HB GLU 27 18.856 -7.048 -23.485
188 HG2 GLU 27 2HG GLU 27 21.198 -6.764 -22.536
189 HG3 GLU 27 3HG GLU 27 21.566 -8.313 -23.291
190 H ASP 28 H ASP 28 20.950 -7.881 -20.011
191 HA ASP 28 HA ASP 28 22.067 -10.578 -20.314
192 HB2 ASP 28 2HB ASP 28 23.371 -8.221 -20.408
193 HB3 ASP 28 3HB ASP 28 23.492 -8.554 -18.683
194 H GLU 29 H GLU 29 20.454 -8.478 -18.092
195 HA GLU 29 HA GLU 29 20.072 -10.640 -16.237
196 HB2 GLU 29 2HB GLU 29 21.122 -9.697 -14.326
197 HB3 GLU 29 3HB GLU 29 22.318 -9.669 -15.615
198 HG2 GLU 29 2HG GLU 29 21.558 -7.264 -16.022
199 HG3 GLU 29 3HG GLU 29 20.771 -7.385 -14.449
200 H GLU 30 H GLU 30 18.679 -9.947 -14.375
201 HA GLU 30 HA GLU 30 17.235 -7.467 -14.673
202 HB2 GLU 30 2HB GLU 30 16.099 -8.807 -16.351
203 HB3 GLU 30 3HB GLU 30 15.870 -10.113 -15.196
204 HG2 GLU 30 2HG GLU 30 14.423 -8.669 -13.854
205 HG3 GLU 30 3HG GLU 30 14.642 -7.370 -15.026
206 H TYR 31 H TYR 31 16.760 -6.766 -12.704
207 HA TYR 31 HA TYR 31 15.797 -8.555 -10.654
208 HB2 TYR 31 2HB TYR 31 17.539 -8.023 -9.022
209 HB3 TYR 31 3HB TYR 31 18.233 -8.816 -10.432
210 HD1 TYR 31 HD1 TYR 31 17.749 -5.504 -8.828
211 HD2 TYR 31 HD2 TYR 31 19.943 -7.782 -11.675
212 HE1 TYR 31 HE1 TYR 31 19.338 -3.644 -9.082
213 HE2 TYR 31 HE2 TYR 31 21.538 -5.929 -11.936
214 HH TYR 31 HH TYR 31 22.202 -3.803 -10.131
215 H LYS 32 H LYS 32 15.186 -7.370 -8.667
216 HA LYS 32 HA LYS 32 14.817 -4.489 -9.063
217 HB2 LYS 32 2HB LYS 32 12.640 -6.508 -8.542
218 HB3 LYS 32 3HB LYS 32 12.442 -4.801 -8.166
219 HG2 LYS 32 2HG LYS 32 12.191 -4.218 -10.322
220 HG3 LYS 32 3HG LYS 32 13.383 -5.390 -10.889
221 HD2 LYS 32 2HD LYS 32 10.804 -6.414 -9.817
222 HD3 LYS 32 3HD LYS 32 10.803 -5.663 -11.415
223 HE2 LYS 32 2HE LYS 32 12.615 -7.204 -12.094
224 HE3 LYS 32 3HE LYS 32 12.506 -7.987 -10.519
225 HZ1 LYS 32 3HZ LYS 32 10.034 -8.270 -11.168
226 HZ2 LYS 32 1HZ LYS 32 11.187 -9.320 -11.823
227 HZ3 LYS 32 2HZ LYS 32 10.589 -8.037 -12.748
228 H SER 33 H SER 33 15.082 -3.314 -7.253
229 HA SER 33 HA SER 33 14.583 -4.308 -4.632
230 HB2 SER 33 2HB SER 33 16.738 -4.640 -3.793
231 HB3 SER 33 3HB SER 33 16.834 -5.376 -5.393
232 HG SER 33 HG SER 33 17.833 -3.498 -6.147
233 H CYS 34 H CYS 34 14.597 -2.688 -3.091
234 HA CYS 34 HA CYS 34 15.870 -0.215 -3.281
235 HB2 CYS 34 2HB CYS 34 13.886 -0.336 -5.172
236 HB3 CYS 34 3HB CYS 34 13.052 0.418 -3.817
237 H GLY 35 H GLY 35 14.117 1.508 -2.077
238 HA2 GLY 35 2HA GLY 35 12.431 0.550 -0.105
239 HA3 GLY 35 3HA GLY 35 14.048 0.490 0.581
240 H ILE 36 H ILE 36 15.297 2.529 0.545
241 HA ILE 36 HA ILE 36 13.495 4.824 0.950
242 HB ILE 36 HB ILE 36 15.559 5.697 2.287
243 HG12 ILE 36 2HG1 ILE 36 15.992 2.706 2.449
244 HG13 ILE 36 3HG1 ILE 36 17.036 3.827 1.582
245 HG21 ILE 36 1HG2 ILE 36 14.123 3.459 3.643
246 HG22 ILE 36 2HG2 ILE 36 14.501 5.075 4.238
247 HG23 ILE 36 3HG2 ILE 36 13.214 4.851 3.053
248 HD11 ILE 36 3HD1 ILE 36 17.035 4.976 4.007
249 HD12 ILE 36 1HD1 ILE 36 16.809 3.288 4.462
250 HD13 ILE 36 2HD1 ILE 36 18.207 3.762 3.496
251 H GLN 37 H GLN 37 14.037 6.830 0.118
252 HA GLN 37 HA GLN 37 15.326 6.913 -2.347
253 HB2 GLN 37 2HB GLN 37 13.657 8.575 -1.385
254 HB3 GLN 37 3HB GLN 37 15.012 9.294 -0.525
255 HG2 GLN 37 2HG GLN 37 15.203 10.597 -2.321
256 HG3 GLN 37 3HG GLN 37 15.971 9.197 -3.067
257 HE21 GLN 37 1HE2 GLN 37 14.513 7.699 -4.216
258 HE22 GLN 37 2HE2 GLN 37 13.179 8.368 -5.085
259 H GLU 38 H GLU 38 16.627 7.026 0.825
260 HA GLU 38 HA GLU 38 19.067 8.373 0.155
261 HB2 GLU 38 2HB GLU 38 17.959 8.148 2.473
262 HB3 GLU 38 3HB GLU 38 18.696 6.553 2.520
263 HG2 GLU 38 2HG GLU 38 20.300 7.761 3.581
264 HG3 GLU 38 3HG GLU 38 20.871 7.896 1.919
265 H GLU 39 H GLU 39 18.033 5.015 0.449
266 HA GLU 39 HA GLU 39 20.694 4.013 -0.104
267 HB2 GLU 39 2HB GLU 39 19.898 1.928 0.456
268 HB3 GLU 39 3HB GLU 39 18.802 2.947 1.378
269 HG2 GLU 39 2HG GLU 39 17.153 2.761 -0.452
270 HG3 GLU 39 3HG GLU 39 18.243 1.649 -1.278
271 H CYS 40 H CYS 40 17.713 4.614 -1.810
272 HA CYS 40 HA CYS 40 18.402 3.089 -4.136
273 HB2 CYS 40 2HB CYS 40 16.143 4.636 -3.200
274 HB3 CYS 40 3HB CYS 40 16.512 5.022 -4.878
275 H GLU 41 H GLU 41 18.626 6.480 -3.184
276 HA GLU 41 HA GLU 41 19.367 7.557 -5.658
277 HB2 GLU 41 2HB GLU 41 18.715 8.966 -3.786
278 HB3 GLU 41 3HB GLU 41 20.120 8.442 -2.868
279 HG2 GLU 41 2HG GLU 41 21.600 9.632 -4.225
280 HG3 GLU 41 3HG GLU 41 20.408 9.821 -5.510
281 H ASP 42 H ASP 42 21.099 5.559 -3.479
282 HA ASP 42 HA ASP 42 23.737 6.264 -3.873
283 HB2 ASP 42 2HB ASP 42 22.902 4.468 -2.341
284 HB3 ASP 42 3HB ASP 42 22.700 3.427 -3.748
285 H ALA 43 H ALA 43 21.536 4.677 -6.059
286 HA ALA 43 HA ALA 43 23.453 3.669 -7.884
287 HB1 ALA 43 1HB ALA 43 21.633 3.286 -9.364
288 HB2 ALA 43 2HB ALA 43 21.045 2.976 -7.730
289 HB3 ALA 43 3HB ALA 43 20.631 4.484 -8.545
290 H GLU 44 H GLU 44 24.967 5.317 -8.256
291 HA GLU 44 HA GLU 44 24.236 7.901 -9.199
292 HB2 GLU 44 2HB GLU 44 26.463 7.034 -8.102
293 HB3 GLU 44 3HB GLU 44 26.915 6.697 -9.767
294 HG2 GLU 44 2HG GLU 44 26.948 8.924 -10.354
295 HG3 GLU 44 3HG GLU 44 25.874 9.394 -9.038
296 H GLY 45 H GLY 45 24.310 8.755 -11.274
297 HA2 GLY 45 2HA GLY 45 24.611 8.683 -13.611
298 HA3 GLY 45 3HA GLY 45 24.826 6.942 -13.507
299 H ALA 46 H ALA 46 22.537 6.232 -12.101
300 HA ALA 46 HA ALA 46 20.496 6.749 -14.143
301 HB1 ALA 46 1HB ALA 46 19.387 4.737 -12.937
302 HB2 ALA 46 2HB ALA 46 20.767 4.457 -13.999
303 HB3 ALA 46 3HB ALA 46 20.992 4.488 -12.250
304 H THR 47 H THR 47 18.353 7.257 -13.571
305 HA THR 47 HA THR 47 18.140 8.685 -11.023
306 HB THR 47 HB THR 47 16.058 8.808 -13.180
307 HG1 THR 47 HG1 THR 47 17.275 10.479 -14.152
308 HG21 THR 47 3HG2 THR 47 15.221 10.218 -11.656
309 HG22 THR 47 1HG2 THR 47 16.512 11.322 -12.127
310 HG23 THR 47 2HG2 THR 47 16.729 10.251 -10.743
311 H VAL 48 H VAL 48 16.585 8.251 -9.511
312 HA VAL 48 HA VAL 48 15.146 5.713 -9.853
313 HB VAL 48 HB VAL 48 15.781 7.236 -7.321
314 HG11 VAL 48 1HG1 VAL 48 14.116 4.852 -7.893
315 HG12 VAL 48 2HG1 VAL 48 15.128 4.807 -6.448
316 HG13 VAL 48 3HG1 VAL 48 13.935 6.091 -6.651
317 HG21 VAL 48 3HG2 VAL 48 17.735 6.178 -7.284
318 HG22 VAL 48 1HG2 VAL 48 16.931 4.619 -7.474
319 HG23 VAL 48 2HG2 VAL 48 17.397 5.551 -8.897
320 H LEU 49 H LEU 49 13.055 5.811 -10.301
321 HA LEU 49 HA LEU 49 11.480 8.051 -9.220
322 HB2 LEU 49 2HB LEU 49 12.048 8.007 -11.774
323 HB3 LEU 49 3HB LEU 49 10.772 6.792 -11.833
324 HG LEU 49 HG LEU 49 9.474 8.737 -10.513
325 HD11 LEU 49 1HD1 LEU 49 10.980 10.469 -10.459
326 HD12 LEU 49 2HD1 LEU 49 10.108 10.827 -11.949
327 HD13 LEU 49 3HD1 LEU 49 11.689 10.048 -12.019
328 HD21 LEU 49 3HD2 LEU 49 9.777 8.071 -13.395
329 HD22 LEU 49 1HD2 LEU 49 8.836 9.497 -12.958
330 HD23 LEU 49 2HD2 LEU 49 8.374 7.912 -12.337
331 H CYS 50 H CYS 50 9.610 7.523 -8.242
332 HA CYS 50 HA CYS 50 8.679 4.737 -8.481
333 HB2 CYS 50 2HB CYS 50 9.853 5.548 -6.266
334 HB3 CYS 50 3HB CYS 50 8.283 6.278 -5.947
335 H CYS 51 H CYS 51 6.447 4.383 -8.366
336 HA CYS 51 HA CYS 51 4.843 6.752 -9.010
337 HB2 CYS 51 2HB CYS 51 3.872 3.926 -9.300
338 HB3 CYS 51 3HB CYS 51 3.396 5.360 -10.204
339 HA PRO 52 HA PRO 52 2.623 6.643 -5.222
340 HB2 PRO 52 2HB PRO 52 0.211 7.590 -6.033
341 HB3 PRO 52 3HB PRO 52 1.646 8.613 -5.889
342 HG2 PRO 52 2HG PRO 52 0.457 7.349 -8.329
343 HG3 PRO 52 3HG PRO 52 1.103 8.987 -8.119
344 HD2 PRO 52 2HD PRO 52 2.516 7.003 -9.303
345 HD3 PRO 52 3HD PRO 52 3.288 8.291 -8.355
346 H GLU 53 H GLU 53 1.808 4.670 -7.853
347 HA GLU 53 HA GLU 53 -0.409 3.366 -6.471
348 HB2 GLU 53 2HB GLU 53 0.749 3.130 -9.236
349 HB3 GLU 53 3HB GLU 53 -0.366 1.923 -8.611
350 HG2 GLU 53 2HG GLU 53 -1.781 3.331 -9.737
351 HG3 GLU 53 3HG GLU 53 -1.881 3.964 -8.095
352 H ASP 54 H ASP 54 -0.280 0.806 -6.967
353 HA ASP 54 HA ASP 54 2.095 -0.070 -5.508
354 HB2 ASP 54 2HB ASP 54 0.753 -2.251 -5.360
355 HB3 ASP 54 3HB ASP 54 0.129 -0.860 -4.478
356 H LEU 55 H LEU 55 3.417 -1.762 -6.205
357 HA LEU 55 HA LEU 55 4.639 -2.945 -7.715
358 HB2 LEU 55 2HB LEU 55 1.951 -3.233 -9.049
359 HB3 LEU 55 3HB LEU 55 3.389 -4.167 -9.457
360 HG LEU 55 HG LEU 55 1.878 -4.254 -6.847
361 HD11 LEU 55 1HD1 LEU 55 2.247 -6.507 -8.783
362 HD12 LEU 55 2HD1 LEU 55 0.926 -5.354 -8.970
363 HD13 LEU 55 3HD1 LEU 55 1.049 -6.322 -7.501
364 HD21 LEU 55 3HD2 LEU 55 4.256 -4.558 -6.469
365 HD22 LEU 55 1HD2 LEU 55 4.325 -5.770 -7.748
366 HD23 LEU 55 2HD2 LEU 55 3.406 -6.092 -6.277
367 H CYS 56 H CYS 56 5.352 -0.572 -8.116
368 HA CYS 56 HA CYS 56 4.768 0.250 -10.869
369 HB2 CYS 56 2HB CYS 56 4.536 1.980 -9.151
370 HB3 CYS 56 3HB CYS 56 6.202 1.718 -8.645
371 H ASN 57 H ASN 57 7.179 -1.229 -8.940
372 HA ASN 57 HA ASN 57 9.160 -0.890 -11.094
373 HB2 ASN 57 2HB ASN 57 10.905 -1.154 -9.490
374 HB3 ASN 57 3HB ASN 57 9.765 -0.002 -8.801
375 HD21 ASN 57 1HD2 ASN 57 11.647 -2.532 -8.069
376 HD22 ASN 57 2HD2 ASN 57 10.782 -3.184 -6.724
Start of MODEL 7
1 H1 LEU 1 H LEU 1 1.379 0.256 0.676
2 HA LEU 1 HA LEU 1 1.237 0.099 -2.156
3 HB2 LEU 1 2HB LEU 1 2.797 1.434 -0.295
4 HB3 LEU 1 3HB LEU 1 3.927 0.343 -1.094
5 HG LEU 1 HG LEU 1 3.873 2.597 -2.098
6 HD11 LEU 1 1HD1 LEU 1 2.715 0.888 -4.211
7 HD12 LEU 1 2HD1 LEU 1 4.113 0.247 -3.348
8 HD13 LEU 1 3HD1 LEU 1 4.226 1.797 -4.182
9 HD21 LEU 1 3HD2 LEU 1 1.411 2.930 -1.645
10 HD22 LEU 1 1HD2 LEU 1 1.104 1.911 -3.052
11 HD23 LEU 1 2HD2 LEU 1 1.977 3.433 -3.239
12 H GLN 2 H GLN 2 2.472 -1.168 -3.588
13 HA GLN 2 HA GLN 2 3.688 -3.583 -2.437
14 HB2 GLN 2 2HB GLN 2 1.361 -3.395 -4.194
15 HB3 GLN 2 3HB GLN 2 2.611 -4.459 -4.824
16 HG2 GLN 2 2HG GLN 2 2.607 -5.614 -2.595
17 HG3 GLN 2 3HG GLN 2 1.176 -4.666 -2.193
18 HE21 GLN 2 1HE2 GLN 2 2.388 -6.655 -4.875
19 HE22 GLN 2 2HE2 GLN 2 0.906 -7.500 -5.142
20 H CYS 3 H CYS 3 5.330 -4.554 -3.689
21 HA CYS 3 HA CYS 3 6.265 -3.025 -6.013
22 HB2 CYS 3 2HB CYS 3 8.153 -3.961 -3.854
23 HB3 CYS 3 3HB CYS 3 8.497 -2.882 -5.202
24 H ASN 4 H ASN 4 7.627 -4.196 -7.449
25 HA ASN 4 HA ASN 4 6.973 -6.992 -7.580
26 HB2 ASN 4 2HB ASN 4 8.667 -5.224 -9.354
27 HB3 ASN 4 3HB ASN 4 8.328 -6.918 -9.694
28 HD21 ASN 4 1HD2 ASN 4 6.772 -3.807 -9.097
29 HD22 ASN 4 2HD2 ASN 4 5.393 -4.106 -10.094
30 H THR 5 H THR 5 8.618 -8.668 -7.944
31 HA THR 5 HA THR 5 11.084 -8.145 -6.415
32 HB THR 5 HB THR 5 10.991 -10.323 -5.433
33 HG1 THR 5 HG1 THR 5 9.592 -11.871 -6.082
34 HG21 THR 5 3HG2 THR 5 9.597 -8.555 -4.381
35 HG22 THR 5 1HG2 THR 5 8.996 -10.184 -4.080
36 HG23 THR 5 2HG2 THR 5 8.207 -9.162 -5.282
37 H LEU 6 H LEU 6 12.918 -9.473 -6.969
38 HA LEU 6 HA LEU 6 13.288 -9.729 -9.761
39 HB2 LEU 6 2HB LEU 6 15.481 -10.328 -9.285
40 HB3 LEU 6 3HB LEU 6 15.025 -9.291 -7.935
41 HG LEU 6 HG LEU 6 14.447 -11.658 -6.845
42 HD11 LEU 6 1HD1 LEU 6 16.198 -12.235 -9.144
43 HD12 LEU 6 2HD1 LEU 6 15.060 -13.276 -8.289
44 HD13 LEU 6 3HD1 LEU 6 16.660 -12.977 -7.612
45 HD21 LEU 6 3HD2 LEU 6 17.261 -10.589 -6.996
46 HD22 LEU 6 1HD2 LEU 6 16.536 -11.520 -5.685
47 HD23 LEU 6 2HD2 LEU 6 15.981 -9.877 -6.012
48 H ASP 7 H ASP 7 12.117 -11.885 -7.348
49 HA ASP 7 HA ASP 7 12.678 -14.311 -8.775
50 HB2 ASP 7 2HB ASP 7 12.380 -14.160 -6.282
51 HB3 ASP 7 3HB ASP 7 10.663 -13.889 -6.563
52 H GLY 8 H GLY 8 10.557 -11.833 -9.337
53 HA2 GLY 8 2HA GLY 8 9.063 -11.797 -11.167
54 HA3 GLY 8 3HA GLY 8 8.931 -13.546 -11.064
55 H GLY 9 H GLY 9 8.651 -12.744 -7.977
56 HA2 GLY 9 2HA GLY 9 5.732 -12.790 -8.109
57 HA3 GLY 9 3HA GLY 9 6.713 -13.114 -6.688
58 H THR 10 H THR 10 4.711 -11.607 -6.096
59 HA THR 10 HA THR 10 5.612 -8.809 -6.265
60 HB THR 10 HB THR 10 3.187 -8.397 -5.386
61 HG1 THR 10 HG1 THR 10 2.324 -10.347 -5.060
62 HG21 THR 10 3HG2 THR 10 3.707 -9.323 -8.214
63 HG22 THR 10 1HG2 THR 10 3.990 -7.700 -7.587
64 HG23 THR 10 2HG2 THR 10 2.347 -8.330 -7.692
65 H GLU 11 H GLU 11 5.787 -7.560 -4.416
66 HA GLU 11 HA GLU 11 5.521 -8.987 -1.853
67 HB2 GLU 11 2HB GLU 11 7.545 -7.886 -1.051
68 HB3 GLU 11 3HB GLU 11 7.888 -8.840 -2.487
69 HG2 GLU 11 2HG GLU 11 8.162 -6.961 -3.824
70 HG3 GLU 11 3HG GLU 11 7.302 -5.915 -2.696
71 H GLU 12 H GLU 12 4.881 -7.767 -0.073
72 HA GLU 12 HA GLU 12 3.430 -5.342 -0.749
73 HB2 GLU 12 2HB GLU 12 2.541 -5.546 1.576
74 HB3 GLU 12 3HB GLU 12 2.226 -6.949 0.564
75 HG2 GLU 12 2HG GLU 12 4.695 -7.364 1.897
76 HG3 GLU 12 3HG GLU 12 3.506 -6.834 3.086
77 H CYS 13 H CYS 13 4.433 -3.453 -0.643
78 HA CYS 13 HA CYS 13 6.711 -3.105 1.145
79 HB2 CYS 13 2HB CYS 13 5.595 -1.493 -1.143
80 HB3 CYS 13 3HB CYS 13 6.827 -0.840 -0.068
81 H ILE 14 H ILE 14 6.297 -2.468 3.151
82 HA ILE 14 HA ILE 14 3.877 -1.135 3.888
83 HB ILE 14 HB ILE 14 4.847 -1.027 6.144
84 HG12 ILE 14 2HG1 ILE 14 7.111 -2.455 6.228
85 HG13 ILE 14 3HG1 ILE 14 7.313 -1.733 4.636
86 HG21 ILE 14 1HG2 ILE 14 5.529 -3.771 5.253
87 HG22 ILE 14 2HG2 ILE 14 4.494 -3.232 6.574
88 HG23 ILE 14 3HG2 ILE 14 3.901 -3.183 4.914
89 HD11 ILE 14 3HD1 ILE 14 6.508 0.318 6.403
90 HD12 ILE 14 1HD1 ILE 14 7.800 -0.592 7.185
91 HD13 ILE 14 2HD1 ILE 14 8.058 0.112 5.588
92 HA PRO 15 HA PRO 15 5.091 3.058 3.321
93 HB2 PRO 15 2HB PRO 15 3.417 4.238 5.103
94 HB3 PRO 15 3HB PRO 15 2.866 3.577 3.559
95 HG2 PRO 15 2HG PRO 15 2.739 2.362 6.292
96 HG3 PRO 15 3HG PRO 15 1.505 2.384 5.019
97 HD2 PRO 15 2HD PRO 15 3.073 0.227 5.491
98 HD3 PRO 15 3HD PRO 15 2.479 0.639 3.870
99 H GLY 16 H GLY 16 7.129 3.450 4.044
100 HA2 GLY 16 2HA GLY 16 7.750 4.957 6.179
101 HA3 GLY 16 3HA GLY 16 7.746 3.344 6.877
102 H ILE 17 H ILE 17 9.457 2.006 6.543
103 HA ILE 17 HA ILE 17 11.926 3.115 5.816
104 HB ILE 17 HB ILE 17 12.765 0.760 5.819
105 HG12 ILE 17 2HG1 ILE 17 9.875 0.114 6.446
106 HG13 ILE 17 3HG1 ILE 17 10.718 -0.311 4.961
107 HG21 ILE 17 1HG2 ILE 17 11.056 1.147 8.240
108 HG22 ILE 17 2HG2 ILE 17 12.727 0.596 8.124
109 HG23 ILE 17 3HG2 ILE 17 12.340 2.298 7.870
110 HD11 ILE 17 3HD1 ILE 17 12.352 -1.558 6.503
111 HD12 ILE 17 1HD1 ILE 17 11.077 -1.418 7.712
112 HD13 ILE 17 2HD1 ILE 17 10.766 -2.265 6.196
113 H TYR 18 H TYR 18 9.420 1.799 3.899
114 HA TYR 18 HA TYR 18 11.195 1.849 1.549
115 HB2 TYR 18 2HB TYR 18 8.827 0.001 1.862
116 HB3 TYR 18 3HB TYR 18 10.031 -0.009 0.578
117 HD1 TYR 18 HD2 TYR 18 12.523 0.241 2.184
118 HD2 TYR 18 HD1 TYR 18 9.043 -2.124 2.818
119 HE1 TYR 18 HE2 TYR 18 13.865 -1.383 3.452
120 HE2 TYR 18 HE1 TYR 18 10.375 -3.754 4.089
121 HH TYR 18 HH TYR 18 12.896 -4.437 4.133
122 H ASN 19 H ASN 19 10.661 3.800 0.717
123 HA ASN 19 HA ASN 19 7.813 4.264 0.116
124 HB2 ASN 19 2HB ASN 19 8.050 6.556 0.506
125 HB3 ASN 19 3HB ASN 19 9.021 5.836 1.788
126 HD21 ASN 19 1HD2 ASN 19 11.349 5.643 1.361
127 HD22 ASN 19 2HD2 ASN 19 12.120 6.889 0.446
128 H VAL 20 H VAL 20 10.864 3.684 -1.152
129 HA VAL 20 HA VAL 20 10.099 4.827 -3.760
130 HB VAL 20 HB VAL 20 12.505 4.787 -4.337
131 HG11 VAL 20 1HG1 VAL 20 11.615 6.376 -1.946
132 HG12 VAL 20 2HG1 VAL 20 13.176 6.637 -2.728
133 HG13 VAL 20 3HG1 VAL 20 11.683 6.878 -3.635
134 HG21 VAL 20 3HG2 VAL 20 14.150 4.041 -2.957
135 HG22 VAL 20 1HG2 VAL 20 13.271 4.480 -1.492
136 HG23 VAL 20 2HG2 VAL 20 12.841 3.014 -2.372
137 H CYS 21 H CYS 21 11.095 3.596 -5.639
138 HA CYS 21 HA CYS 21 11.477 0.757 -5.197
139 HB2 CYS 21 2HB CYS 21 9.678 0.236 -6.937
140 HB3 CYS 21 3HB CYS 21 9.121 0.681 -5.327
141 H VAL 22 H VAL 22 12.560 -0.259 -6.862
142 HA VAL 22 HA VAL 22 13.168 1.340 -9.250
143 HB VAL 22 HB VAL 22 15.121 0.166 -7.313
144 HG11 VAL 22 1HG1 VAL 22 16.833 0.504 -9.218
145 HG12 VAL 22 2HG1 VAL 22 15.879 -0.981 -9.187
146 HG13 VAL 22 3HG1 VAL 22 15.441 0.328 -10.286
147 HG21 VAL 22 3HG2 VAL 22 16.228 2.253 -7.544
148 HG22 VAL 22 1HG2 VAL 22 15.286 2.669 -8.976
149 HG23 VAL 22 2HG2 VAL 22 14.507 2.610 -7.395
150 H HIS 23 H HIS 23 13.331 0.206 -11.125
151 HA HIS 23 HA HIS 23 13.107 -2.727 -10.940
152 HB2 HIS 23 2HB HIS 23 10.960 -1.831 -11.609
153 HB3 HIS 23 3HB HIS 23 11.715 -0.858 -12.868
154 HD1 HIS 23 HD1 HIS 23 10.039 -2.129 -14.505
155 HD2 HIS 23 HD2 HIS 23 12.997 -4.475 -12.770
156 HE1 HIS 23 HE1 HIS 23 10.108 -4.241 -15.868
157 H TYR 24 H TYR 24 14.939 -3.592 -11.650
158 HA TYR 24 HA TYR 24 16.409 -2.256 -13.810
159 HB2 TYR 24 2HB TYR 24 17.598 -2.770 -11.664
160 HB3 TYR 24 3HB TYR 24 17.364 -4.482 -12.000
161 HD1 TYR 24 HD1 TYR 24 18.310 -5.352 -14.256
162 HD2 TYR 24 HD2 TYR 24 19.502 -1.690 -12.447
163 HE1 TYR 24 HE1 TYR 24 20.382 -5.378 -15.581
164 HE2 TYR 24 HE2 TYR 24 21.577 -1.706 -13.767
165 HH TYR 24 HH TYR 24 22.326 -4.381 -15.979
166 H LYS 25 H LYS 25 16.068 -2.998 -15.786
167 HA LYS 25 HA LYS 25 15.681 -5.893 -16.160
168 HB2 LYS 25 2HB LYS 25 13.537 -4.821 -16.487
169 HB3 LYS 25 3HB LYS 25 14.251 -3.637 -17.574
170 HG2 LYS 25 2HG LYS 25 14.827 -5.523 -19.112
171 HG3 LYS 25 3HG LYS 25 13.882 -6.582 -18.062
172 HD2 LYS 25 2HD LYS 25 12.627 -4.073 -19.068
173 HD3 LYS 25 3HD LYS 25 12.804 -5.436 -20.177
174 HE2 LYS 25 2HE LYS 25 11.679 -6.860 -18.439
175 HE3 LYS 25 3HE LYS 25 11.336 -5.378 -17.547
176 HZ1 LYS 25 3HZ LYS 25 9.570 -6.304 -19.147
177 HZ2 LYS 25 1HZ LYS 25 10.530 -5.634 -20.370
178 HZ3 LYS 25 2HZ LYS 25 9.882 -4.641 -19.163
179 H SER 26 H SER 26 17.350 -6.699 -17.232
180 HA SER 26 HA SER 26 18.450 -5.168 -19.487
181 HB2 SER 26 2HB SER 26 19.955 -6.426 -17.206
182 HB3 SER 26 3HB SER 26 20.721 -6.195 -18.777
183 HG SER 26 HG SER 26 21.131 -4.287 -17.964
184 H GLU 27 H GLU 27 19.643 -6.509 -21.039
185 HA GLU 27 HA GLU 27 18.205 -8.919 -21.601
186 HB2 GLU 27 2HB GLU 27 19.584 -9.034 -23.615
187 HB3 GLU 27 3HB GLU 27 18.929 -7.418 -23.397
188 HG2 GLU 27 2HG GLU 27 21.613 -7.945 -22.274
189 HG3 GLU 27 3HG GLU 27 21.469 -7.873 -24.030
190 H ASP 28 H ASP 28 20.968 -8.194 -19.791
191 HA ASP 28 HA ASP 28 22.029 -10.919 -20.054
192 HB2 ASP 28 2HB ASP 28 23.388 -8.584 -20.093
193 HB3 ASP 28 3HB ASP 28 23.456 -8.946 -18.371
194 H GLU 29 H GLU 29 20.396 -8.772 -17.891
195 HA GLU 29 HA GLU 29 19.891 -10.918 -16.048
196 HB2 GLU 29 2HB GLU 29 20.889 -9.978 -14.098
197 HB3 GLU 29 3HB GLU 29 22.134 -10.031 -15.337
198 HG2 GLU 29 2HG GLU 29 21.556 -7.612 -15.821
199 HG3 GLU 29 3HG GLU 29 20.624 -7.645 -14.325
200 H GLU 30 H GLU 30 18.459 -10.179 -14.232
201 HA GLU 30 HA GLU 30 17.093 -7.663 -14.585
202 HB2 GLU 30 2HB GLU 30 15.933 -8.894 -16.282
203 HB3 GLU 30 3HB GLU 30 15.733 -10.281 -15.220
204 HG2 GLU 30 2HG GLU 30 14.247 -8.974 -13.789
205 HG3 GLU 30 3HG GLU 30 14.442 -7.586 -14.858
206 H TYR 31 H TYR 31 16.578 -6.941 -12.634
207 HA TYR 31 HA TYR 31 15.494 -8.691 -10.612
208 HB2 TYR 31 2HB TYR 31 17.200 -8.201 -8.925
209 HB3 TYR 31 3HB TYR 31 17.907 -9.036 -10.303
210 HD1 TYR 31 HD2 TYR 31 17.476 -5.673 -8.786
211 HD2 TYR 31 HD1 TYR 31 19.717 -8.100 -11.466
212 HE1 TYR 31 HE2 TYR 31 19.141 -3.877 -9.011
213 HE2 TYR 31 HE1 TYR 31 21.389 -6.312 -11.698
214 HH TYR 31 HH TYR 31 21.670 -3.780 -9.633
215 H LYS 32 H LYS 32 14.861 -7.480 -8.647
216 HA LYS 32 HA LYS 32 14.600 -4.591 -9.059
217 HB2 LYS 32 2HB LYS 32 12.354 -6.555 -8.681
218 HB3 LYS 32 3HB LYS 32 12.180 -4.874 -8.192
219 HG2 LYS 32 2HG LYS 32 11.902 -4.175 -10.291
220 HG3 LYS 32 3HG LYS 32 13.214 -5.186 -10.900
221 HD2 LYS 32 2HD LYS 32 10.969 -6.805 -10.096
222 HD3 LYS 32 3HD LYS 32 10.465 -5.572 -11.254
223 HE2 LYS 32 2HE LYS 32 11.178 -7.030 -12.801
224 HE3 LYS 32 3HE LYS 32 12.787 -6.454 -12.369
225 HZ1 LYS 32 3HZ LYS 32 11.704 -8.602 -10.734
226 HZ2 LYS 32 1HZ LYS 32 13.280 -8.359 -11.297
227 HZ3 LYS 32 2HZ LYS 32 12.106 -9.011 -12.325
228 H SER 33 H SER 33 14.860 -3.426 -7.245
229 HA SER 33 HA SER 33 14.225 -4.380 -4.640
230 HB2 SER 33 2HB SER 33 16.281 -4.925 -3.749
231 HB3 SER 33 3HB SER 33 16.503 -5.504 -5.400
232 HG SER 33 HG SER 33 18.211 -4.115 -4.482
233 H CYS 34 H CYS 34 14.281 -2.756 -3.100
234 HA CYS 34 HA CYS 34 15.681 -0.351 -3.261
235 HB2 CYS 34 2HB CYS 34 13.750 -0.383 -5.210
236 HB3 CYS 34 3HB CYS 34 12.916 0.422 -3.884
237 H GLY 35 H GLY 35 13.998 1.466 -2.110
238 HA2 GLY 35 2HA GLY 35 12.171 0.698 -0.220
239 HA3 GLY 35 3HA GLY 35 13.727 0.385 0.533
240 H ILE 36 H ILE 36 15.259 2.230 0.606
241 HA ILE 36 HA ILE 36 13.776 4.701 1.175
242 HB ILE 36 HB ILE 36 15.940 5.326 2.397
243 HG12 ILE 36 2HG1 ILE 36 16.363 2.337 2.177
244 HG13 ILE 36 3HG1 ILE 36 17.328 3.557 1.354
245 HG21 ILE 36 1HG2 ILE 36 14.799 2.986 3.783
246 HG22 ILE 36 2HG2 ILE 36 14.969 4.655 4.322
247 HG23 ILE 36 3HG2 ILE 36 13.648 4.208 3.244
248 HD11 ILE 36 3HD1 ILE 36 18.320 2.579 3.443
249 HD12 ILE 36 1HD1 ILE 36 18.237 4.339 3.384
250 HD13 ILE 36 2HD1 ILE 36 17.065 3.432 4.341
251 H GLN 37 H GLN 37 14.119 6.504 0.034
252 HA GLN 37 HA GLN 37 15.410 6.545 -2.402
253 HB2 GLN 37 2HB GLN 37 13.740 8.218 -1.586
254 HB3 GLN 37 3HB GLN 37 15.007 8.940 -0.605
255 HG2 GLN 37 2HG GLN 37 15.426 10.257 -2.336
256 HG3 GLN 37 3HG GLN 37 16.122 8.841 -3.123
257 HE21 GLN 37 1HE2 GLN 37 14.435 7.416 -4.213
258 HE22 GLN 37 2HE2 GLN 37 13.236 8.238 -5.146
259 H GLU 38 H GLU 38 16.728 7.003 0.776
260 HA GLU 38 HA GLU 38 19.111 8.336 0.089
261 HB2 GLU 38 2HB GLU 38 18.268 6.623 2.400
262 HB3 GLU 38 3HB GLU 38 19.943 7.134 2.252
263 HG2 GLU 38 2HG GLU 38 18.763 9.499 1.923
264 HG3 GLU 38 3HG GLU 38 17.526 8.706 2.897
265 H GLU 39 H GLU 39 18.264 4.913 0.217
266 HA GLU 39 HA GLU 39 20.954 4.102 -0.500
267 HB2 GLU 39 2HB GLU 39 18.400 2.578 -0.001
268 HB3 GLU 39 3HB GLU 39 19.872 1.798 -0.564
269 HG2 GLU 39 2HG GLU 39 19.779 3.451 1.939
270 HG3 GLU 39 3HG GLU 39 19.416 1.726 1.921
271 H CYS 40 H CYS 40 17.774 4.344 -1.996
272 HA CYS 40 HA CYS 40 18.441 3.045 -4.420
273 HB2 CYS 40 2HB CYS 40 16.181 4.516 -3.331
274 HB3 CYS 40 3HB CYS 40 16.437 4.882 -5.033
275 H GLU 41 H GLU 41 18.505 6.434 -3.408
276 HA GLU 41 HA GLU 41 19.303 7.415 -5.975
277 HB2 GLU 41 2HB GLU 41 18.124 8.683 -4.049
278 HB3 GLU 41 3HB GLU 41 19.741 8.879 -3.388
279 HG2 GLU 41 2HG GLU 41 20.330 9.820 -5.716
280 HG3 GLU 41 3HG GLU 41 18.587 9.997 -5.907
281 H ASP 42 H ASP 42 20.916 5.691 -3.629
282 HA ASP 42 HA ASP 42 23.417 6.846 -3.403
283 HB2 ASP 42 2HB ASP 42 22.635 4.801 -2.198
284 HB3 ASP 42 3HB ASP 42 22.873 3.884 -3.683
285 H ALA 43 H ALA 43 21.979 5.215 -6.115
286 HA ALA 43 HA ALA 43 24.311 4.613 -7.572
287 HB1 ALA 43 1HB ALA 43 22.302 3.574 -8.248
288 HB2 ALA 43 2HB ALA 43 21.474 5.121 -8.430
289 HB3 ALA 43 3HB ALA 43 22.750 4.664 -9.560
290 H GLU 44 H GLU 44 25.593 5.788 -8.887
291 HA GLU 44 HA GLU 44 25.111 8.675 -8.977
292 HB2 GLU 44 2HB GLU 44 27.310 7.636 -8.159
293 HB3 GLU 44 3HB GLU 44 27.626 7.267 -9.848
294 HG2 GLU 44 2HG GLU 44 27.679 9.556 -10.436
295 HG3 GLU 44 3HG GLU 44 27.024 10.043 -8.874
296 H GLY 45 H GLY 45 24.517 9.683 -10.786
297 HA2 GLY 45 2HA GLY 45 24.506 10.135 -13.092
298 HA3 GLY 45 3HA GLY 45 25.170 8.534 -13.386
299 H ALA 46 H ALA 46 22.962 7.570 -11.440
300 HA ALA 46 HA ALA 46 20.888 7.383 -13.518
301 HB1 ALA 46 1HB ALA 46 21.476 5.548 -11.198
302 HB2 ALA 46 2HB ALA 46 20.162 5.335 -12.356
303 HB3 ALA 46 3HB ALA 46 21.838 5.245 -12.898
304 H THR 47 H THR 47 18.638 7.285 -12.786
305 HA THR 47 HA THR 47 18.185 8.850 -10.329
306 HB THR 47 HB THR 47 17.839 10.242 -12.347
307 HG1 THR 47 HG1 THR 47 16.463 11.080 -10.973
308 HG21 THR 47 3HG2 THR 47 15.608 8.303 -12.967
309 HG22 THR 47 1HG2 THR 47 17.119 8.436 -13.866
310 HG23 THR 47 2HG2 THR 47 15.981 9.784 -13.849
311 H VAL 48 H VAL 48 16.487 8.256 -9.043
312 HA VAL 48 HA VAL 48 15.109 5.767 -9.802
313 HB VAL 48 HB VAL 48 16.416 5.415 -7.834
314 HG11 VAL 48 1HG1 VAL 48 16.196 6.781 -5.823
315 HG12 VAL 48 2HG1 VAL 48 16.727 7.754 -7.196
316 HG13 VAL 48 3HG1 VAL 48 15.050 7.832 -6.654
317 HG21 VAL 48 3HG2 VAL 48 13.584 5.857 -6.901
318 HG22 VAL 48 1HG2 VAL 48 14.093 4.493 -7.897
319 HG23 VAL 48 2HG2 VAL 48 14.752 4.694 -6.274
320 H LEU 49 H LEU 49 12.997 5.852 -10.174
321 HA LEU 49 HA LEU 49 11.433 8.031 -8.962
322 HB2 LEU 49 2HB LEU 49 12.025 8.121 -11.522
323 HB3 LEU 49 3HB LEU 49 10.705 6.961 -11.646
324 HG LEU 49 HG LEU 49 9.460 8.851 -10.228
325 HD11 LEU 49 1HD1 LEU 49 10.121 11.059 -11.219
326 HD12 LEU 49 2HD1 LEU 49 11.608 10.289 -11.769
327 HD13 LEU 49 3HD1 LEU 49 11.256 10.393 -10.045
328 HD21 LEU 49 3HD2 LEU 49 8.408 8.178 -12.158
329 HD22 LEU 49 1HD2 LEU 49 9.828 8.467 -13.163
330 HD23 LEU 49 2HD2 LEU 49 8.866 9.827 -12.584
331 H CYS 50 H CYS 50 9.576 7.443 -8.005
332 HA CYS 50 HA CYS 50 8.598 4.702 -8.465
333 HB2 CYS 50 2HB CYS 50 9.814 5.209 -6.224
334 HB3 CYS 50 3HB CYS 50 8.338 6.071 -5.803
335 H CYS 51 H CYS 51 6.361 4.378 -8.354
336 HA CYS 51 HA CYS 51 4.793 6.821 -8.765
337 HB2 CYS 51 2HB CYS 51 3.744 4.061 -9.285
338 HB3 CYS 51 3HB CYS 51 3.324 5.577 -10.076
339 HA PRO 52 HA PRO 52 2.611 6.416 -4.975
340 HB2 PRO 52 2HB PRO 52 0.204 7.462 -5.672
341 HB3 PRO 52 3HB PRO 52 1.655 8.449 -5.459
342 HG2 PRO 52 2HG PRO 52 0.420 7.415 -7.983
343 HG3 PRO 52 3HG PRO 52 1.092 9.020 -7.642
344 HD2 PRO 52 2HD PRO 52 2.463 7.127 -9.009
345 HD3 PRO 52 3HD PRO 52 3.264 8.318 -7.964
346 H GLU 53 H GLU 53 1.739 4.686 -7.755
347 HA GLU 53 HA GLU 53 -0.507 3.320 -6.500
348 HB2 GLU 53 2HB GLU 53 0.355 3.791 -9.191
349 HB3 GLU 53 3HB GLU 53 0.220 2.058 -8.932
350 HG2 GLU 53 2HG GLU 53 -1.948 4.067 -8.368
351 HG3 GLU 53 3HG GLU 53 -1.844 3.053 -9.807
352 H ASP 54 H ASP 54 -0.403 0.791 -7.147
353 HA ASP 54 HA ASP 54 1.921 -0.209 -5.680
354 HB2 ASP 54 2HB ASP 54 0.532 -2.367 -5.682
355 HB3 ASP 54 3HB ASP 54 -0.077 -1.016 -4.731
356 H LEU 55 H LEU 55 3.290 -1.787 -6.465
357 HA LEU 55 HA LEU 55 4.521 -2.907 -8.014
358 HB2 LEU 55 2HB LEU 55 1.871 -3.177 -9.425
359 HB3 LEU 55 3HB LEU 55 3.319 -4.126 -9.754
360 HG LEU 55 HG LEU 55 1.596 -4.211 -7.281
361 HD11 LEU 55 1HD1 LEU 55 0.675 -5.439 -9.139
362 HD12 LEU 55 2HD1 LEU 55 1.319 -6.572 -7.951
363 HD13 LEU 55 3HD1 LEU 55 2.222 -6.233 -9.427
364 HD21 LEU 55 3HD2 LEU 55 3.154 -6.008 -6.544
365 HD22 LEU 55 1HD2 LEU 55 3.871 -4.397 -6.555
366 HD23 LEU 55 2HD2 LEU 55 4.244 -5.535 -7.849
367 H CYS 56 H CYS 56 5.204 -0.514 -8.326
368 HA CYS 56 HA CYS 56 4.605 0.408 -11.044
369 HB2 CYS 56 2HB CYS 56 4.358 2.069 -9.265
370 HB3 CYS 56 3HB CYS 56 6.024 1.800 -8.764
371 H ASN 57 H ASN 57 7.039 -1.117 -9.179
372 HA ASN 57 HA ASN 57 9.040 -0.618 -11.278
373 HB2 ASN 57 2HB ASN 57 10.747 -1.116 -9.669
374 HB3 ASN 57 3HB ASN 57 9.633 0.023 -8.919
375 HD21 ASN 57 1HD2 ASN 57 11.476 -2.391 -8.129
376 HD22 ASN 57 2HD2 ASN 57 10.514 -3.208 -6.950
Start of MODEL 8
1 H1 LEU 1 H LEU 1 1.603 -0.470 0.611
2 HA LEU 1 HA LEU 1 1.433 0.266 -2.195
3 HB2 LEU 1 2HB LEU 1 3.038 1.745 -0.483
4 HB3 LEU 1 3HB LEU 1 4.152 0.616 -1.250
5 HG LEU 1 HG LEU 1 4.026 2.801 -2.395
6 HD11 LEU 1 1HD1 LEU 1 4.310 0.404 -3.497
7 HD12 LEU 1 2HD1 LEU 1 4.284 1.882 -4.456
8 HD13 LEU 1 3HD1 LEU 1 2.830 0.893 -4.323
9 HD21 LEU 1 3HD2 LEU 1 2.082 3.541 -3.506
10 HD22 LEU 1 1HD2 LEU 1 1.563 3.102 -1.878
11 HD23 LEU 1 2HD2 LEU 1 1.246 2.012 -3.228
12 H GLN 2 H GLN 2 2.675 -1.072 -3.571
13 HA GLN 2 HA GLN 2 3.919 -3.403 -2.281
14 HB2 GLN 2 2HB GLN 2 1.610 -3.329 -4.098
15 HB3 GLN 2 3HB GLN 2 2.858 -4.477 -4.563
16 HG2 GLN 2 2HG GLN 2 2.751 -5.385 -2.226
17 HG3 GLN 2 3HG GLN 2 1.329 -4.373 -1.980
18 HE21 GLN 2 1HE2 GLN 2 2.622 -6.773 -4.246
19 HE22 GLN 2 2HE2 GLN 2 1.116 -7.570 -4.530
20 H CYS 3 H CYS 3 5.561 -4.438 -3.480
21 HA CYS 3 HA CYS 3 6.473 -3.054 -5.901
22 HB2 CYS 3 2HB CYS 3 8.400 -3.832 -3.718
23 HB3 CYS 3 3HB CYS 3 8.692 -2.799 -5.114
24 H ASN 4 H ASN 4 7.754 -4.310 -7.302
25 HA ASN 4 HA ASN 4 7.244 -7.152 -7.092
26 HB2 ASN 4 2HB ASN 4 8.636 -5.582 -9.274
27 HB3 ASN 4 3HB ASN 4 8.126 -7.265 -9.377
28 HD21 ASN 4 1HD2 ASN 4 6.968 -3.967 -8.996
29 HD22 ASN 4 2HD2 ASN 4 5.403 -4.244 -9.675
30 H THR 5 H THR 5 8.958 -8.739 -7.513
31 HA THR 5 HA THR 5 11.556 -7.875 -6.421
32 HB THR 5 HB THR 5 11.389 -10.581 -5.851
33 HG1 THR 5 HG1 THR 5 8.902 -9.318 -5.247
34 HG21 THR 5 3HG2 THR 5 11.208 -9.844 -3.514
35 HG22 THR 5 1HG2 THR 5 10.756 -8.230 -4.062
36 HG23 THR 5 2HG2 THR 5 12.364 -8.864 -4.415
37 H LEU 6 H LEU 6 13.367 -9.360 -6.989
38 HA LEU 6 HA LEU 6 13.501 -9.713 -9.792
39 HB2 LEU 6 2HB LEU 6 15.712 -10.338 -9.478
40 HB3 LEU 6 3HB LEU 6 15.389 -9.261 -8.121
41 HG LEU 6 HG LEU 6 15.363 -12.271 -7.944
42 HD11 LEU 6 1HD1 LEU 6 17.510 -11.788 -6.612
43 HD12 LEU 6 2HD1 LEU 6 17.538 -10.262 -7.494
44 HD13 LEU 6 3HD1 LEU 6 17.596 -11.789 -8.374
45 HD21 LEU 6 3HD2 LEU 6 15.726 -11.506 -5.456
46 HD22 LEU 6 1HD2 LEU 6 14.108 -11.594 -6.152
47 HD23 LEU 6 2HD2 LEU 6 14.929 -10.038 -6.022
48 H ASP 7 H ASP 7 12.488 -11.761 -7.218
49 HA ASP 7 HA ASP 7 12.878 -14.245 -8.602
50 HB2 ASP 7 2HB ASP 7 12.639 -13.762 -6.028
51 HB3 ASP 7 3HB ASP 7 10.918 -13.935 -6.360
52 H GLY 8 H GLY 8 10.775 -11.738 -9.082
53 HA2 GLY 8 2HA GLY 8 9.106 -11.686 -10.732
54 HA3 GLY 8 3HA GLY 8 9.008 -13.439 -10.658
55 H GLY 9 H GLY 9 8.977 -12.615 -7.537
56 HA2 GLY 9 2HA GLY 9 6.076 -12.839 -7.399
57 HA3 GLY 9 3HA GLY 9 7.199 -12.987 -6.055
58 H THR 10 H THR 10 5.144 -11.600 -5.373
59 HA THR 10 HA THR 10 5.846 -8.762 -5.748
60 HB THR 10 HB THR 10 3.416 -8.450 -4.826
61 HG1 THR 10 HG1 THR 10 2.707 -10.455 -4.412
62 HG21 THR 10 3HG2 THR 10 2.631 -8.195 -7.017
63 HG22 THR 10 1HG2 THR 10 3.612 -9.528 -7.623
64 HG23 THR 10 2HG2 THR 10 4.377 -8.004 -7.172
65 H GLU 11 H GLU 11 5.999 -7.421 -3.966
66 HA GLU 11 HA GLU 11 5.790 -8.702 -1.326
67 HB2 GLU 11 2HB GLU 11 7.980 -6.752 -2.011
68 HB3 GLU 11 3HB GLU 11 7.858 -7.804 -0.608
69 HG2 GLU 11 2HG GLU 11 7.869 -9.635 -2.584
70 HG3 GLU 11 3HG GLU 11 8.847 -8.365 -3.317
71 H GLU 12 H GLU 12 5.202 -7.359 0.387
72 HA GLU 12 HA GLU 12 3.767 -4.967 -0.420
73 HB2 GLU 12 2HB GLU 12 2.841 -5.010 1.851
74 HB3 GLU 12 3HB GLU 12 2.645 -6.561 1.048
75 HG2 GLU 12 2HG GLU 12 4.709 -7.329 2.255
76 HG3 GLU 12 3HG GLU 12 4.623 -5.837 3.190
77 H CYS 13 H CYS 13 4.639 -3.016 -0.326
78 HA CYS 13 HA CYS 13 6.991 -2.589 1.374
79 HB2 CYS 13 2HB CYS 13 5.914 -1.059 -0.999
80 HB3 CYS 13 3HB CYS 13 7.269 -0.505 -0.020
81 H ILE 14 H ILE 14 6.594 -1.738 3.301
82 HA ILE 14 HA ILE 14 4.185 -0.255 3.838
83 HB ILE 14 HB ILE 14 5.043 -0.079 6.138
84 HG12 ILE 14 2HG1 ILE 14 7.449 -1.548 5.036
85 HG13 ILE 14 3HG1 ILE 14 7.434 0.115 5.612
86 HG21 ILE 14 1HG2 ILE 14 4.490 -2.219 6.671
87 HG22 ILE 14 2HG2 ILE 14 3.990 -2.225 4.981
88 HG23 ILE 14 3HG2 ILE 14 5.545 -2.917 5.442
89 HD11 ILE 14 3HD1 ILE 14 6.975 -0.617 7.853
90 HD12 ILE 14 1HD1 ILE 14 6.821 -2.288 7.313
91 HD13 ILE 14 2HD1 ILE 14 8.384 -1.476 7.232
92 HA PRO 15 HA PRO 15 5.740 3.799 3.107
93 HB2 PRO 15 2HB PRO 15 4.056 5.201 4.709
94 HB3 PRO 15 3HB PRO 15 3.549 4.488 3.173
95 HG2 PRO 15 2HG PRO 15 3.171 3.454 5.957
96 HG3 PRO 15 3HG PRO 15 2.020 3.485 4.609
97 HD2 PRO 15 2HD PRO 15 3.392 1.256 5.302
98 HD3 PRO 15 3HD PRO 15 2.928 1.609 3.625
99 H GLY 16 H GLY 16 5.725 2.335 6.230
100 HA2 GLY 16 2HA GLY 16 6.889 4.463 7.711
101 HA3 GLY 16 3HA GLY 16 6.886 2.766 8.167
102 H ILE 17 H ILE 17 8.184 2.261 5.421
103 HA ILE 17 HA ILE 17 10.857 3.328 5.933
104 HB ILE 17 HB ILE 17 10.401 0.373 5.526
105 HG12 ILE 17 2HG1 ILE 17 11.086 1.875 8.063
106 HG13 ILE 17 3HG1 ILE 17 9.561 1.063 7.726
107 HG21 ILE 17 1HG2 ILE 17 12.529 1.208 4.681
108 HG22 ILE 17 2HG2 ILE 17 12.871 1.945 6.245
109 HG23 ILE 17 3HG2 ILE 17 12.772 0.190 6.100
110 HD11 ILE 17 3HD1 ILE 17 12.226 -0.097 8.368
111 HD12 ILE 17 1HD1 ILE 17 10.639 -0.476 9.038
112 HD13 ILE 17 2HD1 ILE 17 11.071 -1.034 7.421
113 H TYR 18 H TYR 18 9.466 0.776 3.867
114 HA TYR 18 HA TYR 18 10.934 1.639 1.584
115 HB2 TYR 18 2HB TYR 18 8.528 -0.188 1.611
116 HB3 TYR 18 3HB TYR 18 9.799 -0.111 0.395
117 HD1 TYR 18 HD2 TYR 18 12.218 -0.063 2.086
118 HD2 TYR 18 HD1 TYR 18 8.655 -2.358 2.453
119 HE1 TYR 18 HE2 TYR 18 13.472 -1.809 3.282
120 HE2 TYR 18 HE1 TYR 18 9.898 -4.110 3.651
121 HH TYR 18 HH TYR 18 11.970 -4.868 4.172
122 H ASN 19 H ASN 19 10.497 3.584 0.740
123 HA ASN 19 HA ASN 19 7.682 4.212 0.133
124 HB2 ASN 19 2HB ASN 19 8.027 6.469 0.602
125 HB3 ASN 19 3HB ASN 19 8.983 5.673 1.849
126 HD21 ASN 19 1HD2 ASN 19 11.262 5.574 1.589
127 HD22 ASN 19 2HD2 ASN 19 12.086 6.742 0.618
128 H VAL 20 H VAL 20 10.752 3.576 -1.115
129 HA VAL 20 HA VAL 20 10.024 4.765 -3.713
130 HB VAL 20 HB VAL 20 12.448 4.682 -4.262
131 HG11 VAL 20 1HG1 VAL 20 13.090 6.531 -2.602
132 HG12 VAL 20 2HG1 VAL 20 11.684 6.798 -3.635
133 HG13 VAL 20 3HG1 VAL 20 11.466 6.321 -1.950
134 HG21 VAL 20 3HG2 VAL 20 13.041 4.321 -1.357
135 HG22 VAL 20 1HG2 VAL 20 12.807 2.906 -2.384
136 HG23 VAL 20 2HG2 VAL 20 14.084 4.064 -2.756
137 H CYS 21 H CYS 21 11.116 3.546 -5.585
138 HA CYS 21 HA CYS 21 11.445 0.703 -5.187
139 HB2 CYS 21 2HB CYS 21 9.657 0.200 -6.934
140 HB3 CYS 21 3HB CYS 21 9.083 0.650 -5.331
141 H VAL 22 H VAL 22 12.590 -0.267 -6.817
142 HA VAL 22 HA VAL 22 13.177 1.330 -9.212
143 HB VAL 22 HB VAL 22 15.143 0.237 -7.242
144 HG11 VAL 22 1HG1 VAL 22 15.491 0.364 -10.214
145 HG12 VAL 22 2HG1 VAL 22 16.866 0.592 -9.133
146 HG13 VAL 22 3HG1 VAL 22 15.951 -0.916 -9.091
147 HG21 VAL 22 3HG2 VAL 22 15.396 2.694 -8.941
148 HG22 VAL 22 1HG2 VAL 22 14.394 2.689 -7.490
149 HG23 VAL 22 2HG2 VAL 22 16.120 2.349 -7.371
150 H HIS 23 H HIS 23 13.382 0.185 -11.074
151 HA HIS 23 HA HIS 23 13.278 -2.752 -10.869
152 HB2 HIS 23 2HB HIS 23 11.088 -2.060 -11.523
153 HB3 HIS 23 3HB HIS 23 11.729 -0.925 -12.707
154 HD1 HIS 23 HD1 HIS 23 10.363 -2.068 -14.592
155 HD2 HIS 23 HD2 HIS 23 13.133 -4.550 -12.739
156 HE1 HIS 23 HE1 HIS 23 10.553 -4.089 -16.076
157 H TYR 24 H TYR 24 15.053 -3.621 -11.690
158 HA TYR 24 HA TYR 24 16.507 -2.180 -13.794
159 HB2 TYR 24 2HB TYR 24 17.707 -2.816 -11.682
160 HB3 TYR 24 3HB TYR 24 17.478 -4.505 -12.123
161 HD1 TYR 24 HD2 TYR 24 18.408 -5.223 -14.440
162 HD2 TYR 24 HD1 TYR 24 19.603 -1.683 -12.405
163 HE1 TYR 24 HE2 TYR 24 20.471 -5.158 -15.777
164 HE2 TYR 24 HE1 TYR 24 21.670 -1.608 -13.737
165 HH TYR 24 HH TYR 24 22.984 -3.966 -15.227
166 H LYS 25 H LYS 25 16.141 -2.818 -15.803
167 HA LYS 25 HA LYS 25 15.732 -5.688 -16.320
168 HB2 LYS 25 2HB LYS 25 13.672 -4.126 -16.532
169 HB3 LYS 25 3HB LYS 25 14.447 -3.559 -18.005
170 HG2 LYS 25 2HG LYS 25 14.445 -5.848 -18.878
171 HG3 LYS 25 3HG LYS 25 13.642 -6.399 -17.406
172 HD2 LYS 25 2HD LYS 25 11.847 -6.127 -18.823
173 HD3 LYS 25 3HD LYS 25 11.893 -4.554 -18.024
174 HE2 LYS 25 2HE LYS 25 13.455 -4.933 -20.531
175 HE3 LYS 25 3HE LYS 25 11.705 -4.760 -20.646
176 HZ1 LYS 25 3HZ LYS 25 12.566 -2.780 -18.921
177 HZ2 LYS 25 1HZ LYS 25 12.008 -2.584 -20.507
178 HZ3 LYS 25 2HZ LYS 25 13.663 -2.765 -20.209
179 H SER 26 H SER 26 17.382 -6.457 -17.449
180 HA SER 26 HA SER 26 18.471 -4.836 -19.642
181 HB2 SER 26 2HB SER 26 20.003 -6.162 -17.417
182 HB3 SER 26 3HB SER 26 20.755 -5.862 -18.984
183 HG SER 26 HG SER 26 21.171 -4.084 -17.756
184 H GLU 27 H GLU 27 19.664 -6.117 -21.244
185 HA GLU 27 HA GLU 27 18.239 -8.519 -21.876
186 HB2 GLU 27 2HB GLU 27 20.704 -7.482 -23.270
187 HB3 GLU 27 3HB GLU 27 19.441 -8.509 -23.934
188 HG2 GLU 27 2HG GLU 27 17.851 -6.607 -23.639
189 HG3 GLU 27 3HG GLU 27 19.230 -5.602 -23.199
190 H ASP 28 H ASP 28 21.011 -7.832 -20.062
191 HA ASP 28 HA ASP 28 22.087 -10.541 -20.418
192 HB2 ASP 28 2HB ASP 28 23.441 -8.214 -20.413
193 HB3 ASP 28 3HB ASP 28 23.503 -8.587 -18.693
194 H GLU 29 H GLU 29 20.453 -8.475 -18.179
195 HA GLU 29 HA GLU 29 19.981 -10.682 -16.399
196 HB2 GLU 29 2HB GLU 29 20.981 -9.788 -14.427
197 HB3 GLU 29 3HB GLU 29 22.219 -9.793 -15.675
198 HG2 GLU 29 2HG GLU 29 21.593 -7.364 -16.085
199 HG3 GLU 29 3HG GLU 29 20.701 -7.457 -14.567
200 H GLU 30 H GLU 30 18.552 -10.014 -14.554
201 HA GLU 30 HA GLU 30 17.157 -7.503 -14.823
202 HB2 GLU 30 2HB GLU 30 16.062 -8.813 -16.569
203 HB3 GLU 30 3HB GLU 30 15.739 -10.105 -15.421
204 HG2 GLU 30 2HG GLU 30 14.305 -8.589 -14.136
205 HG3 GLU 30 3HG GLU 30 14.606 -7.319 -15.320
206 H TYR 31 H TYR 31 16.639 -6.844 -12.850
207 HA TYR 31 HA TYR 31 15.595 -8.670 -10.873
208 HB2 TYR 31 2HB TYR 31 17.299 -8.233 -9.188
209 HB3 TYR 31 3HB TYR 31 18.035 -8.961 -10.611
210 HD1 TYR 31 HD1 TYR 31 17.520 -5.738 -8.849
211 HD2 TYR 31 HD2 TYR 31 19.769 -7.863 -11.770
212 HE1 TYR 31 HE1 TYR 31 19.119 -3.873 -8.966
213 HE2 TYR 31 HE2 TYR 31 21.374 -6.004 -11.895
214 HH TYR 31 HH TYR 31 22.063 -4.095 -10.891
215 H LYS 32 H LYS 32 14.950 -7.527 -8.873
216 HA LYS 32 HA LYS 32 14.629 -4.633 -9.209
217 HB2 LYS 32 2HB LYS 32 12.384 -6.566 -8.604
218 HB3 LYS 32 3HB LYS 32 12.250 -4.815 -8.510
219 HG2 LYS 32 2HG LYS 32 12.326 -4.550 -10.796
220 HG3 LYS 32 3HG LYS 32 13.147 -6.092 -11.053
221 HD2 LYS 32 2HD LYS 32 10.798 -6.891 -9.918
222 HD3 LYS 32 3HD LYS 32 10.284 -5.485 -10.853
223 HE2 LYS 32 2HE LYS 32 12.083 -7.074 -12.415
224 HE3 LYS 32 3HE LYS 32 10.797 -8.098 -11.778
225 HZ1 LYS 32 3HZ LYS 32 10.019 -5.533 -12.936
226 HZ2 LYS 32 1HZ LYS 32 9.220 -7.024 -12.974
227 HZ3 LYS 32 2HZ LYS 32 10.529 -6.739 -14.007
228 H SER 33 H SER 33 14.885 -3.503 -7.372
229 HA SER 33 HA SER 33 14.312 -4.533 -4.782
230 HB2 SER 33 2HB SER 33 17.132 -4.625 -5.782
231 HB3 SER 33 3HB SER 33 16.838 -4.236 -4.087
232 HG SER 33 HG SER 33 16.963 -6.401 -4.096
233 H CYS 34 H CYS 34 14.337 -2.944 -3.210
234 HA CYS 34 HA CYS 34 15.676 -0.502 -3.326
235 HB2 CYS 34 2HB CYS 34 13.732 -0.534 -5.260
236 HB3 CYS 34 3HB CYS 34 12.887 0.213 -3.908
237 H GLY 35 H GLY 35 13.951 1.245 -2.122
238 HA2 GLY 35 2HA GLY 35 12.194 0.304 -0.207
239 HA3 GLY 35 3HA GLY 35 13.792 0.171 0.511
240 H ILE 36 H ILE 36 15.101 2.150 0.605
241 HA ILE 36 HA ILE 36 13.376 4.500 1.015
242 HB ILE 36 HB ILE 36 15.407 5.283 2.421
243 HG12 ILE 36 2HG1 ILE 36 15.861 2.291 2.441
244 HG13 ILE 36 3HG1 ILE 36 16.908 3.464 1.650
245 HG21 ILE 36 1HG2 ILE 36 14.354 4.539 4.341
246 HG22 ILE 36 2HG2 ILE 36 13.070 4.421 3.139
247 HG23 ILE 36 3HG2 ILE 36 13.948 2.975 3.636
248 HD11 ILE 36 3HD1 ILE 36 16.890 4.494 4.113
249 HD12 ILE 36 1HD1 ILE 36 16.621 2.796 4.505
250 HD13 ILE 36 2HD1 ILE 36 18.047 3.273 3.582
251 H GLN 37 H GLN 37 13.883 6.441 0.105
252 HA GLN 37 HA GLN 37 15.245 6.559 -2.290
253 HB2 GLN 37 2HB GLN 37 13.617 8.253 -1.358
254 HB3 GLN 37 3HB GLN 37 14.947 8.896 -0.404
255 HG2 GLN 37 2HG GLN 37 15.323 10.248 -2.124
256 HG3 GLN 37 3HG GLN 37 16.000 8.835 -2.932
257 HE21 GLN 37 1HE2 GLN 37 14.335 7.455 -4.067
258 HE22 GLN 37 2HE2 GLN 37 13.120 8.291 -4.965
259 H GLU 38 H GLU 38 16.497 6.720 0.930
260 HA GLU 38 HA GLU 38 18.975 7.974 0.321
261 HB2 GLU 38 2HB GLU 38 17.839 6.484 2.631
262 HB3 GLU 38 3HB GLU 38 19.590 6.608 2.535
263 HG2 GLU 38 2HG GLU 38 19.225 9.114 2.250
264 HG3 GLU 38 3HG GLU 38 17.573 8.809 2.781
265 H GLU 39 H GLU 39 17.896 4.618 0.465
266 HA GLU 39 HA GLU 39 20.549 3.614 -0.133
267 HB2 GLU 39 2HB GLU 39 19.751 1.532 0.393
268 HB3 GLU 39 3HB GLU 39 18.618 2.518 1.306
269 HG2 GLU 39 2HG GLU 39 17.030 2.360 -0.588
270 HG3 GLU 39 3HG GLU 39 18.152 1.259 -1.385
271 H CYS 40 H CYS 40 17.561 4.299 -1.796
272 HA CYS 40 HA CYS 40 18.213 2.853 -4.179
273 HB2 CYS 40 2HB CYS 40 15.996 4.443 -3.185
274 HB3 CYS 40 3HB CYS 40 16.357 4.823 -4.866
275 H GLU 41 H GLU 41 18.560 6.182 -3.084
276 HA GLU 41 HA GLU 41 19.377 7.248 -5.584
277 HB2 GLU 41 2HB GLU 41 18.499 8.599 -3.676
278 HB3 GLU 41 3HB GLU 41 20.006 8.300 -2.822
279 HG2 GLU 41 2HG GLU 41 21.207 9.707 -4.151
280 HG3 GLU 41 3HG GLU 41 20.154 9.471 -5.544
281 H ASP 42 H ASP 42 20.912 5.193 -3.409
282 HA ASP 42 HA ASP 42 23.557 5.971 -3.378
283 HB2 ASP 42 2HB ASP 42 22.302 3.858 -2.386
284 HB3 ASP 42 3HB ASP 42 22.945 3.083 -3.832
285 H ALA 43 H ALA 43 21.710 4.562 -5.988
286 HA ALA 43 HA ALA 43 23.893 3.847 -7.647
287 HB1 ALA 43 1HB ALA 43 21.107 4.572 -8.537
288 HB2 ALA 43 2HB ALA 43 22.280 3.569 -9.390
289 HB3 ALA 43 3HB ALA 43 21.559 2.996 -7.886
290 H GLU 44 H GLU 44 25.360 5.267 -8.329
291 HA GLU 44 HA GLU 44 24.689 8.045 -8.752
292 HB2 GLU 44 2HB GLU 44 26.894 7.083 -7.796
293 HB3 GLU 44 3HB GLU 44 27.316 6.777 -9.475
294 HG2 GLU 44 2HG GLU 44 26.984 9.178 -9.955
295 HG3 GLU 44 3HG GLU 44 26.689 9.447 -8.238
296 H GLY 45 H GLY 45 24.222 9.001 -10.634
297 HA2 GLY 45 2HA GLY 45 24.564 9.309 -12.991
298 HA3 GLY 45 3HA GLY 45 24.873 7.585 -13.132
299 H ALA 46 H ALA 46 22.831 6.314 -12.119
300 HA ALA 46 HA ALA 46 20.689 6.900 -13.936
301 HB1 ALA 46 1HB ALA 46 19.628 4.902 -12.679
302 HB2 ALA 46 2HB ALA 46 21.044 4.624 -13.694
303 HB3 ALA 46 3HB ALA 46 21.222 4.734 -11.942
304 H THR 47 H THR 47 18.437 7.102 -13.286
305 HA THR 47 HA THR 47 18.171 8.659 -10.802
306 HB THR 47 HB THR 47 17.695 9.891 -12.914
307 HG1 THR 47 HG1 THR 47 16.627 10.746 -11.216
308 HG21 THR 47 3HG2 THR 47 15.849 9.367 -14.288
309 HG22 THR 47 1HG2 THR 47 15.221 8.190 -13.135
310 HG23 THR 47 2HG2 THR 47 16.691 7.838 -14.044
311 H VAL 48 H VAL 48 16.579 8.187 -9.344
312 HA VAL 48 HA VAL 48 15.175 5.642 -9.762
313 HB VAL 48 HB VAL 48 16.550 5.637 -7.787
314 HG11 VAL 48 1HG1 VAL 48 15.744 8.348 -7.589
315 HG12 VAL 48 2HG1 VAL 48 15.256 7.527 -6.106
316 HG13 VAL 48 3HG1 VAL 48 16.942 7.486 -6.624
317 HG21 VAL 48 3HG2 VAL 48 15.026 4.646 -6.439
318 HG22 VAL 48 1HG2 VAL 48 13.926 6.023 -6.491
319 HG23 VAL 48 2HG2 VAL 48 13.972 4.881 -7.834
320 H LEU 49 H LEU 49 13.097 5.726 -10.274
321 HA LEU 49 HA LEU 49 11.468 7.938 -9.217
322 HB2 LEU 49 2HB LEU 49 12.119 7.924 -11.755
323 HB3 LEU 49 3HB LEU 49 10.849 6.707 -11.864
324 HG LEU 49 HG LEU 49 9.483 8.610 -10.583
325 HD11 LEU 49 1HD1 LEU 49 11.078 10.294 -10.384
326 HD12 LEU 49 2HD1 LEU 49 10.139 10.776 -11.797
327 HD13 LEU 49 3HD1 LEU 49 11.716 10.015 -12.005
328 HD21 LEU 49 3HD2 LEU 49 8.513 7.828 -12.505
329 HD22 LEU 49 1HD2 LEU 49 9.965 8.081 -13.474
330 HD23 LEU 49 2HD2 LEU 49 8.960 9.456 -13.016
331 H CYS 50 H CYS 50 9.599 7.369 -8.273
332 HA CYS 50 HA CYS 50 8.679 4.589 -8.603
333 HB2 CYS 50 2HB CYS 50 9.819 5.263 -6.361
334 HB3 CYS 50 3HB CYS 50 8.306 6.101 -6.035
335 H CYS 51 H CYS 51 6.447 4.229 -8.540
336 HA CYS 51 HA CYS 51 4.848 6.612 -9.138
337 HB2 CYS 51 2HB CYS 51 3.870 3.805 -9.528
338 HB3 CYS 51 3HB CYS 51 3.440 5.265 -10.414
339 HA PRO 52 HA PRO 52 2.561 6.382 -5.396
340 HB2 PRO 52 2HB PRO 52 0.158 7.339 -6.221
341 HB3 PRO 52 3HB PRO 52 1.584 8.365 -6.024
342 HG2 PRO 52 2HG PRO 52 0.444 7.165 -8.518
343 HG3 PRO 52 3HG PRO 52 1.077 8.800 -8.251
344 HD2 PRO 52 2HD PRO 52 2.522 6.859 -9.467
345 HD3 PRO 52 3HD PRO 52 3.270 8.123 -8.468
346 H GLU 53 H GLU 53 1.804 4.480 -8.096
347 HA GLU 53 HA GLU 53 -0.459 3.147 -6.838
348 HB2 GLU 53 2HB GLU 53 0.793 3.119 -9.537
349 HB3 GLU 53 3HB GLU 53 -0.052 1.666 -9.022
350 HG2 GLU 53 2HG GLU 53 -1.980 2.584 -9.573
351 HG3 GLU 53 3HG GLU 53 -1.703 3.884 -8.416
352 H ASP 54 H ASP 54 -0.294 0.588 -7.308
353 HA ASP 54 HA ASP 54 2.018 -0.274 -5.733
354 HB2 ASP 54 2HB ASP 54 0.636 -2.440 -5.589
355 HB3 ASP 54 3HB ASP 54 0.034 -1.027 -4.726
356 H LEU 55 H LEU 55 3.413 -1.881 -6.391
357 HA LEU 55 HA LEU 55 4.665 -3.101 -7.845
358 HB2 LEU 55 2HB LEU 55 2.002 -3.546 -9.185
359 HB3 LEU 55 3HB LEU 55 3.470 -4.472 -9.490
360 HG LEU 55 HG LEU 55 1.893 -4.411 -6.918
361 HD11 LEU 55 1HD1 LEU 55 2.328 -6.661 -8.874
362 HD12 LEU 55 2HD1 LEU 55 0.873 -5.668 -8.800
363 HD13 LEU 55 3HD1 LEU 55 1.318 -6.682 -7.428
364 HD21 LEU 55 3HD2 LEU 55 4.374 -5.970 -7.637
365 HD22 LEU 55 1HD2 LEU 55 3.444 -6.126 -6.146
366 HD23 LEU 55 2HD2 LEU 55 4.293 -4.621 -6.502
367 H CYS 56 H CYS 56 5.281 -0.718 -8.363
368 HA CYS 56 HA CYS 56 4.672 -0.069 -11.157
369 HB2 CYS 56 2HB CYS 56 4.344 1.740 -9.545
370 HB3 CYS 56 3HB CYS 56 6.012 1.581 -9.004
371 H ASN 57 H ASN 57 7.137 -1.325 -9.140
372 HA ASN 57 HA ASN 57 9.147 -0.941 -11.256
373 HB2 ASN 57 2HB ASN 57 10.847 -1.172 -9.612
374 HB3 ASN 57 3HB ASN 57 9.639 -0.102 -8.907
375 HD21 ASN 57 1HD2 ASN 57 11.579 -2.670 -8.309
376 HD22 ASN 57 2HD2 ASN 57 10.729 -3.378 -6.983
Start of MODEL 9
1 H1 LEU 1 H LEU 1 1.564 -0.006 0.696
2 HA LEU 1 HA LEU 1 1.299 0.279 -2.222
3 HB2 LEU 1 2HB LEU 1 2.816 1.742 -0.427
4 HB3 LEU 1 3HB LEU 1 3.977 0.632 -1.154
5 HG LEU 1 HG LEU 1 3.894 2.822 -2.282
6 HD11 LEU 1 1HD1 LEU 1 4.142 1.956 -4.395
7 HD12 LEU 1 2HD1 LEU 1 2.779 0.851 -4.222
8 HD13 LEU 1 3HD1 LEU 1 4.304 0.502 -3.410
9 HD21 LEU 1 3HD2 LEU 1 1.152 2.052 -3.242
10 HD22 LEU 1 1HD2 LEU 1 1.998 3.584 -3.454
11 HD23 LEU 1 2HD2 LEU 1 1.410 3.116 -1.858
12 H GLN 2 H GLN 2 2.562 -1.034 -3.586
13 HA GLN 2 HA GLN 2 3.809 -3.370 -2.308
14 HB2 GLN 2 2HB GLN 2 1.612 -3.287 -4.302
15 HB3 GLN 2 3HB GLN 2 2.850 -4.513 -4.538
16 HG2 GLN 2 2HG GLN 2 2.246 -4.701 -1.851
17 HG3 GLN 2 3HG GLN 2 0.687 -4.401 -2.617
18 HE21 GLN 2 1HE2 GLN 2 0.988 -5.676 -5.010
19 HE22 GLN 2 2HE2 GLN 2 1.165 -7.374 -4.752
20 H CYS 3 H CYS 3 5.502 -4.352 -3.470
21 HA CYS 3 HA CYS 3 6.461 -2.897 -5.835
22 HB2 CYS 3 2HB CYS 3 8.356 -3.781 -3.670
23 HB3 CYS 3 3HB CYS 3 8.646 -2.650 -4.987
24 H ASN 4 H ASN 4 7.700 -4.107 -7.285
25 HA ASN 4 HA ASN 4 7.121 -6.909 -7.307
26 HB2 ASN 4 2HB ASN 4 8.811 -5.192 -9.136
27 HB3 ASN 4 3HB ASN 4 8.456 -6.892 -9.427
28 HD21 ASN 4 1HD2 ASN 4 6.982 -3.725 -8.998
29 HD22 ASN 4 2HD2 ASN 4 5.575 -4.050 -9.946
30 H THR 5 H THR 5 8.898 -8.515 -7.815
31 HA THR 5 HA THR 5 11.295 -7.957 -6.196
32 HB THR 5 HB THR 5 11.255 -10.139 -5.239
33 HG1 THR 5 HG1 THR 5 10.469 -11.618 -6.550
34 HG21 THR 5 3HG2 THR 5 9.258 -10.093 -3.921
35 HG22 THR 5 1HG2 THR 5 8.397 -9.175 -5.156
36 HG23 THR 5 2HG2 THR 5 9.713 -8.422 -4.255
37 H LEU 6 H LEU 6 13.172 -9.248 -6.734
38 HA LEU 6 HA LEU 6 13.610 -9.415 -9.523
39 HB2 LEU 6 2HB LEU 6 15.802 -10.178 -8.984
40 HB3 LEU 6 3HB LEU 6 15.352 -8.930 -7.824
41 HG LEU 6 HG LEU 6 14.896 -11.754 -7.033
42 HD11 LEU 6 1HD1 LEU 6 17.639 -10.513 -6.961
43 HD12 LEU 6 2HD1 LEU 6 17.135 -11.737 -8.126
44 HD13 LEU 6 3HD1 LEU 6 17.172 -12.121 -6.405
45 HD21 LEU 6 3HD2 LEU 6 16.033 -10.565 -4.941
46 HD22 LEU 6 1HD2 LEU 6 14.315 -10.399 -5.306
47 HD23 LEU 6 2HD2 LEU 6 15.443 -9.126 -5.776
48 H ASP 7 H ASP 7 12.360 -11.636 -7.234
49 HA ASP 7 HA ASP 7 12.978 -13.991 -8.806
50 HB2 ASP 7 2HB ASP 7 12.738 -13.792 -6.203
51 HB3 ASP 7 3HB ASP 7 11.019 -13.981 -6.538
52 H GLY 8 H GLY 8 10.941 -11.568 -9.337
53 HA2 GLY 8 2HA GLY 8 9.255 -11.480 -10.950
54 HA3 GLY 8 3HA GLY 8 9.151 -13.234 -10.901
55 H GLY 9 H GLY 9 9.077 -12.555 -7.777
56 HA2 GLY 9 2HA GLY 9 6.178 -12.727 -7.675
57 HA3 GLY 9 3HA GLY 9 7.284 -12.917 -6.322
58 H THR 10 H THR 10 5.225 -11.530 -5.637
59 HA THR 10 HA THR 10 5.951 -8.690 -5.933
60 HB THR 10 HB THR 10 3.518 -8.379 -5.030
61 HG1 THR 10 HG1 THR 10 2.773 -10.374 -4.658
62 HG21 THR 10 3HG2 THR 10 3.829 -9.397 -7.848
63 HG22 THR 10 1HG2 THR 10 4.436 -7.827 -7.325
64 HG23 THR 10 2HG2 THR 10 2.709 -8.173 -7.251
65 H GLU 11 H GLU 11 6.091 -7.390 -4.118
66 HA GLU 11 HA GLU 11 5.884 -8.746 -1.515
67 HB2 GLU 11 2HB GLU 11 7.905 -7.627 -0.758
68 HB3 GLU 11 3HB GLU 11 8.248 -8.587 -2.190
69 HG2 GLU 11 2HG GLU 11 8.499 -6.720 -3.540
70 HG3 GLU 11 3HG GLU 11 7.615 -5.676 -2.429
71 H GLU 12 H GLU 12 5.264 -7.467 0.238
72 HA GLU 12 HA GLU 12 3.760 -5.096 -0.502
73 HB2 GLU 12 2HB GLU 12 2.975 -5.213 1.887
74 HB3 GLU 12 3HB GLU 12 2.590 -6.620 0.905
75 HG2 GLU 12 2HG GLU 12 4.378 -7.874 1.904
76 HG3 GLU 12 3HG GLU 12 4.928 -6.453 2.791
77 H CYS 13 H CYS 13 4.533 -3.109 -0.317
78 HA CYS 13 HA CYS 13 7.000 -2.651 1.155
79 HB2 CYS 13 2HB CYS 13 5.388 -0.757 -0.569
80 HB3 CYS 13 3HB CYS 13 7.000 -0.455 0.072
81 H ILE 14 H ILE 14 6.935 -2.091 3.219
82 HA ILE 14 HA ILE 14 4.572 -1.239 4.536
83 HB ILE 14 HB ILE 14 7.426 -1.087 5.512
84 HG12 ILE 14 2HG1 ILE 14 5.358 -3.222 6.059
85 HG13 ILE 14 3HG1 ILE 14 6.601 -3.368 4.821
86 HG21 ILE 14 1HG2 ILE 14 4.852 -1.087 7.080
87 HG22 ILE 14 2HG2 ILE 14 6.485 -0.979 7.734
88 HG23 ILE 14 3HG2 ILE 14 5.839 0.338 6.754
89 HD11 ILE 14 3HD1 ILE 14 7.139 -4.524 6.942
90 HD12 ILE 14 1HD1 ILE 14 8.331 -3.314 6.470
91 HD13 ILE 14 2HD1 ILE 14 7.167 -2.954 7.745
92 HA PRO 15 HA PRO 15 4.745 3.090 3.644
93 HB2 PRO 15 2HB PRO 15 2.933 3.899 5.497
94 HB3 PRO 15 3HB PRO 15 2.474 3.087 3.995
95 HG2 PRO 15 2HG PRO 15 2.771 1.951 6.749
96 HG3 PRO 15 3HG PRO 15 1.503 1.652 5.546
97 HD2 PRO 15 2HD PRO 15 3.551 -0.070 5.965
98 HD3 PRO 15 3HD PRO 15 2.798 0.149 4.372
99 H GLY 16 H GLY 16 6.998 3.109 4.511
100 HA2 GLY 16 2HA GLY 16 7.516 5.152 6.221
101 HA3 GLY 16 3HA GLY 16 7.366 3.769 7.295
102 H ILE 17 H ILE 17 8.547 1.766 5.863
103 HA ILE 17 HA ILE 17 11.339 2.574 5.997
104 HB ILE 17 HB ILE 17 10.212 -0.189 5.545
105 HG12 ILE 17 2HG1 ILE 17 11.135 -0.200 8.099
106 HG13 ILE 17 3HG1 ILE 17 10.529 1.449 7.985
107 HG21 ILE 17 1HG2 ILE 17 12.920 0.605 6.589
108 HG22 ILE 17 2HG2 ILE 17 12.374 -1.000 6.108
109 HG23 ILE 17 3HG2 ILE 17 12.596 0.257 4.891
110 HD11 ILE 17 3HD1 ILE 17 8.389 0.792 7.972
111 HD12 ILE 17 1HD1 ILE 17 8.715 -0.615 6.960
112 HD13 ILE 17 2HD1 ILE 17 9.038 -0.680 8.693
113 H TYR 18 H TYR 18 8.969 1.532 3.652
114 HA TYR 18 HA TYR 18 10.977 1.918 1.533
115 HB2 TYR 18 2HB TYR 18 8.676 -0.026 1.349
116 HB3 TYR 18 3HB TYR 18 10.042 0.134 0.251
117 HD1 TYR 18 HD2 TYR 18 12.315 0.228 2.107
118 HD2 TYR 18 HD1 TYR 18 8.814 -2.188 2.198
119 HE1 TYR 18 HE2 TYR 18 13.540 -1.489 3.373
120 HE2 TYR 18 HE1 TYR 18 10.028 -3.910 3.465
121 HH TYR 18 HH TYR 18 12.218 -3.783 5.110
122 H ASN 19 H ASN 19 10.489 3.793 0.597
123 HA ASN 19 HA ASN 19 7.662 4.336 -0.036
124 HB2 ASN 19 2HB ASN 19 8.662 6.804 -0.122
125 HB3 ASN 19 3HB ASN 19 8.085 6.088 1.380
126 HD21 ASN 19 1HD2 ASN 19 11.069 5.720 -0.502
127 HD22 ASN 19 2HD2 ASN 19 12.138 6.111 0.798
128 H VAL 20 H VAL 20 10.717 3.698 -1.272
129 HA VAL 20 HA VAL 20 10.004 4.873 -3.881
130 HB VAL 20 HB VAL 20 12.418 4.794 -4.429
131 HG11 VAL 20 1HG1 VAL 20 11.978 6.928 -3.831
132 HG12 VAL 20 2HG1 VAL 20 11.254 6.463 -2.291
133 HG13 VAL 20 3HG1 VAL 20 13.009 6.523 -2.459
134 HG21 VAL 20 3HG2 VAL 20 14.038 4.038 -3.016
135 HG22 VAL 20 1HG2 VAL 20 13.122 4.452 -1.567
136 HG23 VAL 20 2HG2 VAL 20 12.711 3.004 -2.486
137 H CYS 21 H CYS 21 11.174 3.624 -5.723
138 HA CYS 21 HA CYS 21 11.472 0.790 -5.311
139 HB2 CYS 21 2HB CYS 21 9.668 0.255 -7.026
140 HB3 CYS 21 3HB CYS 21 9.107 0.732 -5.427
141 H VAL 22 H VAL 22 12.642 -0.170 -6.918
142 HA VAL 22 HA VAL 22 13.231 1.445 -9.309
143 HB VAL 22 HB VAL 22 15.159 0.154 -7.416
144 HG11 VAL 22 1HG1 VAL 22 16.866 0.587 -9.322
145 HG12 VAL 22 2HG1 VAL 22 15.921 -0.903 -9.330
146 HG13 VAL 22 3HG1 VAL 22 15.461 0.440 -10.377
147 HG21 VAL 22 3HG2 VAL 22 14.526 2.643 -7.471
148 HG22 VAL 22 1HG2 VAL 22 16.239 2.224 -7.433
149 HG23 VAL 22 2HG2 VAL 22 15.484 2.711 -8.951
150 H HIS 23 H HIS 23 13.354 0.357 -11.211
151 HA HIS 23 HA HIS 23 13.076 -2.574 -11.102
152 HB2 HIS 23 2HB HIS 23 10.948 -1.504 -11.729
153 HB3 HIS 23 3HB HIS 23 11.755 -0.685 -13.063
154 HD1 HIS 23 HD1 HIS 23 9.819 -2.017 -14.440
155 HD2 HIS 23 HD2 HIS 23 12.915 -4.294 -12.860
156 HE1 HIS 23 HE1 HIS 23 9.749 -4.203 -15.683
157 H TYR 24 H TYR 24 14.905 -3.437 -11.824
158 HA TYR 24 HA TYR 24 16.367 -2.086 -13.982
159 HB2 TYR 24 2HB TYR 24 17.567 -2.621 -11.846
160 HB3 TYR 24 3HB TYR 24 17.332 -4.329 -12.200
161 HD1 TYR 24 HD1 TYR 24 18.246 -5.152 -14.500
162 HD2 TYR 24 HD2 TYR 24 19.483 -1.551 -12.601
163 HE1 TYR 24 HE1 TYR 24 20.310 -5.163 -15.838
164 HE2 TYR 24 HE2 TYR 24 21.550 -1.551 -13.935
165 HH TYR 24 HH TYR 24 22.686 -2.539 -15.570
166 H LYS 25 H LYS 25 16.012 -2.813 -15.962
167 HA LYS 25 HA LYS 25 15.620 -5.705 -16.353
168 HB2 LYS 25 2HB LYS 25 13.543 -4.164 -16.617
169 HB3 LYS 25 3HB LYS 25 14.299 -3.674 -18.127
170 HG2 LYS 25 2HG LYS 25 14.439 -6.302 -18.466
171 HG3 LYS 25 3HG LYS 25 13.052 -6.252 -17.375
172 HD2 LYS 25 2HD LYS 25 12.013 -6.078 -19.420
173 HD3 LYS 25 3HD LYS 25 12.222 -4.375 -19.002
174 HE2 LYS 25 2HE LYS 25 13.034 -4.343 -21.134
175 HE3 LYS 25 3HE LYS 25 14.520 -4.723 -20.265
176 HZ1 LYS 25 3HZ LYS 25 12.807 -6.910 -21.228
177 HZ2 LYS 25 1HZ LYS 25 14.477 -6.896 -20.958
178 HZ3 LYS 25 2HZ LYS 25 13.833 -6.120 -22.316
179 H SER 26 H SER 26 17.278 -6.497 -17.455
180 HA SER 26 HA SER 26 18.340 -4.946 -19.714
181 HB2 SER 26 2HB SER 26 19.887 -6.213 -17.464
182 HB3 SER 26 3HB SER 26 20.628 -5.952 -19.043
183 HG SER 26 HG SER 26 19.279 -3.804 -17.894
184 H GLU 27 H GLU 27 19.526 -6.274 -21.285
185 HA GLU 27 HA GLU 27 18.094 -8.689 -21.843
186 HB2 GLU 27 2HB GLU 27 20.557 -7.707 -23.278
187 HB3 GLU 27 3HB GLU 27 19.278 -8.736 -23.907
188 HG2 GLU 27 2HG GLU 27 17.723 -6.760 -23.558
189 HG3 GLU 27 3HG GLU 27 19.180 -5.797 -23.318
190 H ASP 28 H ASP 28 20.875 -7.957 -20.061
191 HA ASP 28 HA ASP 28 21.947 -10.676 -20.348
192 HB2 ASP 28 2HB ASP 28 23.299 -8.345 -20.398
193 HB3 ASP 28 3HB ASP 28 23.370 -8.687 -18.672
194 H GLU 29 H GLU 29 20.324 -8.549 -18.156
195 HA GLU 29 HA GLU 29 19.843 -10.710 -16.323
196 HB2 GLU 29 2HB GLU 29 20.852 -9.769 -14.372
197 HB3 GLU 29 3HB GLU 29 22.088 -9.837 -15.620
198 HG2 GLU 29 2HG GLU 29 21.556 -7.420 -16.107
199 HG3 GLU 29 3HG GLU 29 20.593 -7.429 -14.630
200 H GLU 30 H GLU 30 18.426 -9.991 -14.490
201 HA GLU 30 HA GLU 30 17.054 -7.473 -14.805
202 HB2 GLU 30 2HB GLU 30 15.954 -8.826 -16.527
203 HB3 GLU 30 3HB GLU 30 15.593 -10.066 -15.334
204 HG2 GLU 30 2HG GLU 30 14.099 -8.612 -14.172
205 HG3 GLU 30 3HG GLU 30 14.575 -7.242 -15.173
206 H TYR 31 H TYR 31 16.558 -6.773 -12.841
207 HA TYR 31 HA TYR 31 15.486 -8.545 -10.831
208 HB2 TYR 31 2HB TYR 31 17.210 -8.064 -9.150
209 HB3 TYR 31 3HB TYR 31 17.890 -8.912 -10.534
210 HD1 TYR 31 HD2 TYR 31 17.522 -5.540 -9.020
211 HD2 TYR 31 HD1 TYR 31 19.698 -8.003 -11.722
212 HE1 TYR 31 HE2 TYR 31 19.208 -3.767 -9.269
213 HE2 TYR 31 HE1 TYR 31 21.391 -6.237 -11.978
214 HH TYR 31 HH TYR 31 21.727 -3.702 -9.921
215 H LYS 32 H LYS 32 14.865 -7.359 -8.851
216 HA LYS 32 HA LYS 32 14.626 -4.462 -9.212
217 HB2 LYS 32 2HB LYS 32 12.314 -6.330 -8.660
218 HB3 LYS 32 3HB LYS 32 12.227 -4.578 -8.540
219 HG2 LYS 32 2HG LYS 32 12.121 -4.295 -10.769
220 HG3 LYS 32 3HG LYS 32 13.234 -5.625 -11.099
221 HD2 LYS 32 2HD LYS 32 10.998 -6.877 -10.054
222 HD3 LYS 32 3HD LYS 32 10.328 -5.592 -11.063
223 HE2 LYS 32 2HE LYS 32 10.559 -7.183 -12.664
224 HE3 LYS 32 3HE LYS 32 12.183 -6.502 -12.744
225 HZ1 LYS 32 3HZ LYS 32 11.318 -9.100 -11.821
226 HZ2 LYS 32 1HZ LYS 32 12.458 -8.350 -10.822
227 HZ3 LYS 32 2HZ LYS 32 12.810 -8.617 -12.455
228 H SER 33 H SER 33 14.871 -3.331 -7.372
229 HA SER 33 HA SER 33 14.226 -4.345 -4.790
230 HB2 SER 33 2HB SER 33 17.064 -4.488 -5.737
231 HB3 SER 33 3HB SER 33 16.742 -4.103 -4.047
232 HG SER 33 HG SER 33 16.782 -6.251 -4.009
233 H CYS 34 H CYS 34 14.244 -2.752 -3.225
234 HA CYS 34 HA CYS 34 15.639 -0.341 -3.310
235 HB2 CYS 34 2HB CYS 34 13.746 -0.333 -5.294
236 HB3 CYS 34 3HB CYS 34 12.883 0.437 -3.967
237 H GLY 35 H GLY 35 13.948 1.448 -2.143
238 HA2 GLY 35 2HA GLY 35 12.099 0.583 -0.289
239 HA3 GLY 35 3HA GLY 35 13.664 0.353 0.477
240 H ILE 36 H ILE 36 15.060 2.241 0.691
241 HA ILE 36 HA ILE 36 13.457 4.662 1.130
242 HB ILE 36 HB ILE 36 15.471 5.368 2.527
243 HG12 ILE 36 2HG1 ILE 36 16.078 2.410 2.334
244 HG13 ILE 36 3HG1 ILE 36 17.027 3.683 1.574
245 HG21 ILE 36 1HG2 ILE 36 13.197 4.244 3.235
246 HG22 ILE 36 2HG2 ILE 36 14.261 2.921 3.709
247 HG23 ILE 36 3HG2 ILE 36 14.482 4.524 4.410
248 HD11 ILE 36 3HD1 ILE 36 16.560 3.593 4.534
249 HD12 ILE 36 1HD1 ILE 36 17.892 2.736 3.758
250 HD13 ILE 36 2HD1 ILE 36 17.784 4.492 3.638
251 H GLN 37 H GLN 37 13.858 6.498 0.050
252 HA GLN 37 HA GLN 37 15.283 6.589 -2.301
253 HB2 GLN 37 2HB GLN 37 13.583 8.252 -1.604
254 HB3 GLN 37 3HB GLN 37 14.738 8.925 -0.461
255 HG2 GLN 37 2HG GLN 37 15.308 10.328 -2.081
256 HG3 GLN 37 3HG GLN 37 16.125 8.958 -2.831
257 HE21 GLN 37 1HE2 GLN 37 14.327 7.473 -3.954
258 HE22 GLN 37 2HE2 GLN 37 13.342 8.341 -5.077
259 H GLU 38 H GLU 38 16.416 7.106 0.959
260 HA GLU 38 HA GLU 38 18.841 8.399 0.400
261 HB2 GLU 38 2HB GLU 38 17.998 6.590 2.660
262 HB3 GLU 38 3HB GLU 38 19.577 7.361 2.607
263 HG2 GLU 38 2HG GLU 38 16.956 8.837 2.540
264 HG3 GLU 38 3HG GLU 38 17.921 8.565 3.990
265 H GLU 39 H GLU 39 17.979 4.978 0.483
266 HA GLU 39 HA GLU 39 20.702 4.153 -0.070
267 HB2 GLU 39 2HB GLU 39 18.110 2.648 0.256
268 HB3 GLU 39 3HB GLU 39 19.607 1.858 -0.220
269 HG2 GLU 39 2HG GLU 39 19.494 3.528 2.254
270 HG3 GLU 39 3HG GLU 39 18.914 1.864 2.262
271 H CYS 40 H CYS 40 17.589 4.252 -1.754
272 HA CYS 40 HA CYS 40 18.407 3.012 -4.132
273 HB2 CYS 40 2HB CYS 40 16.097 4.466 -3.181
274 HB3 CYS 40 3HB CYS 40 16.474 4.921 -4.839
275 H GLU 41 H GLU 41 18.469 6.403 -3.130
276 HA GLU 41 HA GLU 41 19.262 7.516 -5.576
277 HB2 GLU 41 2HB GLU 41 18.442 8.823 -3.637
278 HB3 GLU 41 3HB GLU 41 19.948 8.484 -2.795
279 HG2 GLU 41 2HG GLU 41 20.115 9.740 -5.476
280 HG3 GLU 41 3HG GLU 41 19.552 10.729 -4.130
281 H ASP 42 H ASP 42 21.021 5.724 -3.203
282 HA ASP 42 HA ASP 42 23.628 6.573 -3.638
283 HB2 ASP 42 2HB ASP 42 22.619 4.782 -1.996
284 HB3 ASP 42 3HB ASP 42 23.059 3.656 -3.278
285 H ALA 43 H ALA 43 21.536 4.696 -5.661
286 HA ALA 43 HA ALA 43 23.526 3.512 -7.304
287 HB1 ALA 43 1HB ALA 43 21.198 2.695 -7.149
288 HB2 ALA 43 2HB ALA 43 20.663 4.135 -8.016
289 HB3 ALA 43 3HB ALA 43 21.723 2.971 -8.810
290 H GLU 44 H GLU 44 24.982 5.224 -7.769
291 HA GLU 44 HA GLU 44 24.158 7.601 -9.101
292 HB2 GLU 44 2HB GLU 44 26.762 6.308 -8.450
293 HB3 GLU 44 3HB GLU 44 26.748 7.541 -9.703
294 HG2 GLU 44 2HG GLU 44 26.271 9.222 -8.247
295 HG3 GLU 44 3HG GLU 44 25.402 8.164 -7.136
296 H GLY 45 H GLY 45 23.934 8.041 -11.220
297 HA2 GLY 45 2HA GLY 45 24.887 7.499 -13.496
298 HA3 GLY 45 3HA GLY 45 24.490 5.833 -13.101
299 H ALA 46 H ALA 46 22.030 5.852 -12.135
300 HA ALA 46 HA ALA 46 20.416 7.180 -14.216
301 HB1 ALA 46 1HB ALA 46 18.859 5.228 -13.995
302 HB2 ALA 46 2HB ALA 46 20.435 4.848 -14.692
303 HB3 ALA 46 3HB ALA 46 20.092 4.440 -13.010
304 H THR 47 H THR 47 18.392 7.986 -13.634
305 HA THR 47 HA THR 47 18.180 8.828 -10.890
306 HB THR 47 HB THR 47 17.593 10.320 -12.802
307 HG1 THR 47 HG1 THR 47 15.553 9.756 -10.891
308 HG21 THR 47 3HG2 THR 47 15.197 8.495 -13.032
309 HG22 THR 47 1HG2 THR 47 16.476 8.688 -14.230
310 HG23 THR 47 2HG2 THR 47 15.394 10.034 -13.870
311 H VAL 48 H VAL 48 16.668 8.237 -9.385
312 HA VAL 48 HA VAL 48 15.160 5.790 -9.989
313 HB VAL 48 HB VAL 48 15.941 6.977 -7.323
314 HG11 VAL 48 1HG1 VAL 48 13.928 5.862 -6.914
315 HG12 VAL 48 2HG1 VAL 48 14.306 4.569 -8.054
316 HG13 VAL 48 3HG1 VAL 48 15.167 4.671 -6.518
317 HG21 VAL 48 3HG2 VAL 48 17.333 5.290 -9.167
318 HG22 VAL 48 1HG2 VAL 48 17.869 5.911 -7.605
319 HG23 VAL 48 2HG2 VAL 48 16.988 4.386 -7.693
320 H LEU 49 H LEU 49 13.060 5.986 -10.357
321 HA LEU 49 HA LEU 49 11.566 8.091 -8.943
322 HB2 LEU 49 2HB LEU 49 12.064 8.363 -11.505
323 HB3 LEU 49 3HB LEU 49 10.742 7.210 -11.671
324 HG LEU 49 HG LEU 49 9.552 9.000 -10.073
325 HD11 LEU 49 1HD1 LEU 49 10.183 11.217 -10.508
326 HD12 LEU 49 2HD1 LEU 49 11.268 10.742 -11.815
327 HD13 LEU 49 3HD1 LEU 49 11.690 10.376 -10.142
328 HD21 LEU 49 3HD2 LEU 49 8.322 8.594 -11.919
329 HD22 LEU 49 1HD2 LEU 49 9.724 8.611 -12.989
330 HD23 LEU 49 2HD2 LEU 49 9.004 10.130 -12.455
331 H CYS 50 H CYS 50 9.698 7.478 -8.005
332 HA CYS 50 HA CYS 50 8.735 4.746 -8.550
333 HB2 CYS 50 2HB CYS 50 9.912 5.154 -6.303
334 HB3 CYS 50 3HB CYS 50 8.493 6.104 -5.871
335 H CYS 51 H CYS 51 6.501 4.395 -8.474
336 HA CYS 51 HA CYS 51 4.910 6.825 -8.867
337 HB2 CYS 51 2HB CYS 51 3.845 4.090 -9.432
338 HB3 CYS 51 3HB CYS 51 3.514 5.611 -10.255
339 HA PRO 52 HA PRO 52 2.689 6.337 -5.110
340 HB2 PRO 52 2HB PRO 52 0.283 7.378 -5.817
341 HB3 PRO 52 3HB PRO 52 1.724 8.371 -5.569
342 HG2 PRO 52 2HG PRO 52 0.528 7.374 -8.126
343 HG3 PRO 52 3HG PRO 52 1.184 8.978 -7.748
344 HD2 PRO 52 2HD PRO 52 2.585 7.120 -9.132
345 HD3 PRO 52 3HD PRO 52 3.364 8.297 -8.055
346 H GLU 53 H GLU 53 1.870 4.647 -7.928
347 HA GLU 53 HA GLU 53 -0.427 3.283 -6.802
348 HB2 GLU 53 2HB GLU 53 -0.661 2.220 -8.895
349 HB3 GLU 53 3HB GLU 53 -0.146 3.860 -9.264
350 HG2 GLU 53 2HG GLU 53 2.141 3.076 -9.587
351 HG3 GLU 53 3HG GLU 53 1.632 1.431 -9.209
352 H ASP 54 H ASP 54 -0.273 0.734 -7.352
353 HA ASP 54 HA ASP 54 1.953 -0.213 -5.697
354 HB2 ASP 54 2HB ASP 54 0.505 -2.351 -5.660
355 HB3 ASP 54 3HB ASP 54 -0.065 -0.948 -4.761
356 H LEU 55 H LEU 55 3.374 -1.770 -6.366
357 HA LEU 55 HA LEU 55 4.688 -2.906 -7.836
358 HB2 LEU 55 2HB LEU 55 2.055 -3.583 -9.136
359 HB3 LEU 55 3HB LEU 55 3.570 -4.464 -9.314
360 HG LEU 55 HG LEU 55 2.026 -4.213 -6.734
361 HD11 LEU 55 1HD1 LEU 55 1.293 -6.471 -7.096
362 HD12 LEU 55 2HD1 LEU 55 2.203 -6.570 -8.603
363 HD13 LEU 55 3HD1 LEU 55 0.816 -5.488 -8.481
364 HD21 LEU 55 3HD2 LEU 55 4.284 -4.598 -6.207
365 HD22 LEU 55 1HD2 LEU 55 4.494 -5.720 -7.551
366 HD23 LEU 55 2HD2 LEU 55 3.522 -6.189 -6.156
367 H CYS 56 H CYS 56 5.107 -0.499 -8.468
368 HA CYS 56 HA CYS 56 4.364 -0.014 -11.262
369 HB2 CYS 56 2HB CYS 56 3.976 1.836 -9.711
370 HB3 CYS 56 3HB CYS 56 5.670 1.807 -9.229
371 H ASN 57 H ASN 57 6.981 -1.017 -9.293
372 HA ASN 57 HA ASN 57 8.934 -0.483 -11.414
373 HB2 ASN 57 2HB ASN 57 10.642 -0.819 -9.798
374 HB3 ASN 57 3HB ASN 57 9.402 0.138 -8.991
375 HD21 ASN 57 1HD2 ASN 57 11.515 -2.077 -8.318
376 HD22 ASN 57 2HD2 ASN 57 10.654 -3.070 -7.197
Start of MODEL 10
1 H1 LEU 1 H LEU 1 1.496 -0.347 0.727
2 HA LEU 1 HA LEU 1 1.336 0.015 -2.188
3 HB2 LEU 1 2HB LEU 1 2.728 1.437 -0.254
4 HB3 LEU 1 3HB LEU 1 3.954 0.425 -1.013
5 HG LEU 1 HG LEU 1 3.787 2.686 -2.001
6 HD11 LEU 1 1HD1 LEU 1 4.428 0.510 -3.245
7 HD12 LEU 1 2HD1 LEU 1 4.118 1.974 -4.176
8 HD13 LEU 1 3HD1 LEU 1 2.882 0.722 -4.065
9 HD21 LEU 1 3HD2 LEU 1 1.116 1.794 -3.066
10 HD22 LEU 1 1HD2 LEU 1 1.890 3.367 -3.257
11 HD23 LEU 1 2HD2 LEU 1 1.301 2.861 -1.673
12 H GLN 2 H GLN 2 2.506 -1.283 -3.568
13 HA GLN 2 HA GLN 2 3.925 -3.558 -2.356
14 HB2 GLN 2 2HB GLN 2 1.766 -3.562 -4.430
15 HB3 GLN 2 3HB GLN 2 3.001 -4.813 -4.466
16 HG2 GLN 2 2HG GLN 2 2.313 -4.947 -1.882
17 HG3 GLN 2 3HG GLN 2 0.790 -4.381 -2.566
18 HE21 GLN 2 1HE2 GLN 2 0.824 -5.642 -5.010
19 HE22 GLN 2 2HE2 GLN 2 0.712 -7.350 -4.777
20 H CYS 3 H CYS 3 5.634 -4.441 -3.576
21 HA CYS 3 HA CYS 3 6.476 -2.882 -5.921
22 HB2 CYS 3 2HB CYS 3 8.427 -3.776 -3.804
23 HB3 CYS 3 3HB CYS 3 8.694 -2.637 -5.120
24 H ASN 4 H ASN 4 7.792 -3.992 -7.413
25 HA ASN 4 HA ASN 4 7.268 -6.807 -7.553
26 HB2 ASN 4 2HB ASN 4 8.829 -4.921 -9.322
27 HB3 ASN 4 3HB ASN 4 8.656 -6.639 -9.669
28 HD21 ASN 4 1HD2 ASN 4 6.748 -3.744 -8.968
29 HD22 ASN 4 2HD2 ASN 4 5.427 -4.153 -10.004
30 H THR 5 H THR 5 8.949 -8.430 -7.918
31 HA THR 5 HA THR 5 11.417 -7.832 -6.419
32 HB THR 5 HB THR 5 11.415 -10.067 -5.508
33 HG1 THR 5 HG1 THR 5 10.064 -11.603 -6.190
34 HG21 THR 5 3HG2 THR 5 8.652 -8.897 -5.170
35 HG22 THR 5 1HG2 THR 5 10.093 -8.311 -4.340
36 HG23 THR 5 2HG2 THR 5 9.505 -9.946 -4.039
37 H LEU 6 H LEU 6 13.264 -9.206 -6.962
38 HA LEU 6 HA LEU 6 13.677 -9.347 -9.756
39 HB2 LEU 6 2HB LEU 6 15.855 -9.994 -9.271
40 HB3 LEU 6 3HB LEU 6 15.390 -9.005 -7.888
41 HG LEU 6 HG LEU 6 15.343 -12.020 -7.888
42 HD11 LEU 6 1HD1 LEU 6 17.386 -11.579 -6.338
43 HD12 LEU 6 2HD1 LEU 6 17.513 -10.073 -7.245
44 HD13 LEU 6 3HD1 LEU 6 17.603 -11.619 -8.088
45 HD21 LEU 6 3HD2 LEU 6 15.292 -11.688 -5.435
46 HD22 LEU 6 1HD2 LEU 6 13.866 -11.049 -6.252
47 HD23 LEU 6 2HD2 LEU 6 15.132 -9.952 -5.702
48 H ASP 7 H ASP 7 12.439 -11.586 -7.457
49 HA ASP 7 HA ASP 7 12.975 -13.942 -9.027
50 HB2 ASP 7 2HB ASP 7 12.379 -13.511 -6.381
51 HB3 ASP 7 3HB ASP 7 10.854 -14.132 -7.007
52 H GLY 8 H GLY 8 10.925 -11.428 -9.472
53 HA2 GLY 8 2HA GLY 8 9.338 -11.271 -11.194
54 HA3 GLY 8 3HA GLY 8 9.210 -13.024 -11.206
55 H GLY 9 H GLY 9 9.024 -12.443 -8.066
56 HA2 GLY 9 2HA GLY 9 6.114 -12.548 -8.091
57 HA3 GLY 9 3HA GLY 9 7.158 -12.851 -6.710
58 H THR 10 H THR 10 5.117 -11.435 -6.028
59 HA THR 10 HA THR 10 5.906 -8.602 -6.174
60 HB THR 10 HB THR 10 3.502 -8.262 -5.262
61 HG1 THR 10 HG1 THR 10 2.097 -9.934 -5.645
62 HG21 THR 10 3HG2 THR 10 4.247 -7.618 -7.515
63 HG22 THR 10 1HG2 THR 10 2.594 -8.230 -7.526
64 HG23 THR 10 2HG2 THR 10 3.917 -9.254 -8.085
65 H GLU 11 H GLU 11 6.079 -7.381 -4.307
66 HA GLU 11 HA GLU 11 5.902 -8.852 -1.763
67 HB2 GLU 11 2HB GLU 11 7.926 -7.747 -0.984
68 HB3 GLU 11 3HB GLU 11 8.255 -8.653 -2.454
69 HG2 GLU 11 2HG GLU 11 8.539 -6.756 -3.724
70 HG3 GLU 11 3HG GLU 11 7.583 -5.755 -2.633
71 H GLU 12 H GLU 12 5.291 -7.662 0.052
72 HA GLU 12 HA GLU 12 3.773 -5.263 -0.559
73 HB2 GLU 12 2HB GLU 12 2.963 -5.499 1.790
74 HB3 GLU 12 3HB GLU 12 2.651 -6.906 0.784
75 HG2 GLU 12 2HG GLU 12 5.147 -7.347 1.979
76 HG3 GLU 12 3HG GLU 12 4.096 -6.717 3.246
77 H CYS 13 H CYS 13 4.709 -3.341 -0.450
78 HA CYS 13 HA CYS 13 7.083 -2.951 1.185
79 HB2 CYS 13 2HB CYS 13 5.679 -1.215 -0.849
80 HB3 CYS 13 3HB CYS 13 7.064 -0.664 0.089
81 H ILE 14 H ILE 14 7.202 -1.726 2.992
82 HA ILE 14 HA ILE 14 4.698 -0.957 4.236
83 HB ILE 14 HB ILE 14 7.376 -0.475 5.486
84 HG12 ILE 14 2HG1 ILE 14 5.972 -3.145 5.253
85 HG13 ILE 14 3HG1 ILE 14 7.553 -2.730 4.600
86 HG21 ILE 14 1HG2 ILE 14 4.775 -1.433 6.666
87 HG22 ILE 14 2HG2 ILE 14 6.199 -0.861 7.533
88 HG23 ILE 14 3HG2 ILE 14 5.249 0.262 6.560
89 HD11 ILE 14 3HD1 ILE 14 6.852 -3.712 7.197
90 HD12 ILE 14 1HD1 ILE 14 8.443 -3.515 6.463
91 HD13 ILE 14 2HD1 ILE 14 7.699 -2.171 7.331
92 HA PRO 15 HA PRO 15 5.018 3.286 3.010
93 HB2 PRO 15 2HB PRO 15 3.093 4.257 4.659
94 HB3 PRO 15 3HB PRO 15 2.728 3.340 3.192
95 HG2 PRO 15 2HG PRO 15 2.802 2.411 6.037
96 HG3 PRO 15 3HG PRO 15 1.619 2.039 4.769
97 HD2 PRO 15 2HD PRO 15 3.598 0.326 5.463
98 HD3 PRO 15 3HD PRO 15 2.966 0.435 3.807
99 H GLY 16 H GLY 16 5.850 1.994 6.022
100 HA2 GLY 16 2HA GLY 16 6.728 4.626 7.025
101 HA3 GLY 16 3HA GLY 16 6.447 3.213 8.031
102 H ILE 17 H ILE 17 7.997 2.405 5.151
103 HA ILE 17 HA ILE 17 10.681 2.811 6.223
104 HB ILE 17 HB ILE 17 9.769 0.071 5.351
105 HG12 ILE 17 2HG1 ILE 17 10.214 1.133 8.149
106 HG13 ILE 17 3HG1 ILE 17 8.661 0.688 7.451
107 HG21 ILE 17 1HG2 ILE 17 12.288 0.957 6.750
108 HG22 ILE 17 2HG2 ILE 17 11.902 -0.673 6.201
109 HG23 ILE 17 3HG2 ILE 17 12.156 0.616 5.025
110 HD11 ILE 17 3HD1 ILE 17 10.869 -1.034 8.428
111 HD12 ILE 17 1HD1 ILE 17 9.127 -1.187 8.651
112 HD13 ILE 17 2HD1 ILE 17 9.860 -1.625 7.108
113 H TYR 18 H TYR 18 8.918 1.157 3.597
114 HA TYR 18 HA TYR 18 10.953 2.109 1.711
115 HB2 TYR 18 2HB TYR 18 8.762 0.123 1.123
116 HB3 TYR 18 3HB TYR 18 10.256 0.386 0.231
117 HD1 TYR 18 HD1 TYR 18 12.307 0.344 2.272
118 HD2 TYR 18 HD2 TYR 18 8.801 -2.044 1.936
119 HE1 TYR 18 HE1 TYR 18 13.401 -1.434 3.573
120 HE2 TYR 18 HE2 TYR 18 9.885 -3.828 3.237
121 HH TYR 18 HH TYR 18 12.137 -3.606 5.145
122 H ASN 19 H ASN 19 10.520 3.912 0.644
123 HA ASN 19 HA ASN 19 7.715 4.502 -0.042
124 HB2 ASN 19 2HB ASN 19 8.047 6.784 0.356
125 HB3 ASN 19 3HB ASN 19 8.932 6.016 1.671
126 HD21 ASN 19 1HD2 ASN 19 11.206 5.950 1.580
127 HD22 ASN 19 2HD2 ASN 19 12.092 7.066 0.603
128 H VAL 20 H VAL 20 10.780 3.800 -1.218
129 HA VAL 20 HA VAL 20 10.137 4.971 -3.847
130 HB VAL 20 HB VAL 20 12.556 4.851 -4.351
131 HG11 VAL 20 1HG1 VAL 20 13.244 6.689 -2.773
132 HG12 VAL 20 2HG1 VAL 20 11.732 6.961 -3.641
133 HG13 VAL 20 3HG1 VAL 20 11.702 6.455 -1.951
134 HG21 VAL 20 3HG2 VAL 20 12.818 3.045 -2.452
135 HG22 VAL 20 1HG2 VAL 20 14.151 4.117 -2.880
136 HG23 VAL 20 2HG2 VAL 20 13.162 4.463 -1.461
137 H CYS 21 H CYS 21 11.254 3.696 -5.674
138 HA CYS 21 HA CYS 21 11.531 0.860 -5.243
139 HB2 CYS 21 2HB CYS 21 9.721 0.334 -6.953
140 HB3 CYS 21 3HB CYS 21 9.164 0.830 -5.358
141 H VAL 22 H VAL 22 12.606 -0.164 -6.903
142 HA VAL 22 HA VAL 22 13.220 1.426 -9.297
143 HB VAL 22 HB VAL 22 15.177 0.182 -7.397
144 HG11 VAL 22 1HG1 VAL 22 16.860 0.648 -9.321
145 HG12 VAL 22 2HG1 VAL 22 15.948 -0.863 -9.311
146 HG13 VAL 22 3HG1 VAL 22 15.448 0.463 -10.361
147 HG21 VAL 22 3HG2 VAL 22 16.248 2.274 -7.470
148 HG22 VAL 22 1HG2 VAL 22 15.394 2.753 -8.936
149 HG23 VAL 22 2HG2 VAL 22 14.526 2.646 -7.405
150 H HIS 23 H HIS 23 13.365 0.290 -11.173
151 HA HIS 23 HA HIS 23 13.133 -2.641 -10.994
152 HB2 HIS 23 2HB HIS 23 10.968 -1.643 -11.600
153 HB3 HIS 23 3HB HIS 23 11.726 -0.823 -12.962
154 HD1 HIS 23 HD1 HIS 23 9.665 -2.328 -14.100
155 HD2 HIS 23 HD2 HIS 23 13.126 -4.295 -12.910
156 HE1 HIS 23 HE1 HIS 23 9.665 -4.508 -15.355
157 H TYR 24 H TYR 24 14.954 -3.491 -11.747
158 HA TYR 24 HA TYR 24 16.359 -2.144 -13.944
159 HB2 TYR 24 2HB TYR 24 17.608 -2.650 -11.832
160 HB3 TYR 24 3HB TYR 24 17.373 -4.364 -12.159
161 HD1 TYR 24 HD2 TYR 24 18.262 -5.232 -14.439
162 HD2 TYR 24 HD1 TYR 24 19.486 -1.562 -12.667
163 HE1 TYR 24 HE2 TYR 24 20.299 -5.252 -15.818
164 HE2 TYR 24 HE1 TYR 24 21.525 -1.572 -14.042
165 HH TYR 24 HH TYR 24 21.934 -3.507 -16.709
166 H LYS 25 H LYS 25 15.973 -2.885 -15.912
167 HA LYS 25 HA LYS 25 15.595 -5.783 -16.279
168 HB2 LYS 25 2HB LYS 25 13.435 -4.744 -16.553
169 HB3 LYS 25 3HB LYS 25 14.106 -3.529 -17.634
170 HG2 LYS 25 2HG LYS 25 12.926 -5.136 -18.943
171 HG3 LYS 25 3HG LYS 25 14.654 -5.344 -19.240
172 HD2 LYS 25 2HD LYS 25 14.745 -7.287 -17.887
173 HD3 LYS 25 3HD LYS 25 13.139 -6.983 -17.219
174 HE2 LYS 25 2HE LYS 25 12.755 -8.662 -18.779
175 HE3 LYS 25 3HE LYS 25 12.331 -7.194 -19.658
176 HZ1 LYS 25 3HZ LYS 25 14.595 -7.232 -20.617
177 HZ2 LYS 25 1HZ LYS 25 13.661 -8.572 -21.058
178 HZ3 LYS 25 2HZ LYS 25 14.861 -8.729 -19.876
179 H SER 26 H SER 26 17.238 -6.577 -17.399
180 HA SER 26 HA SER 26 18.270 -5.035 -19.678
181 HB2 SER 26 2HB SER 26 19.843 -6.291 -17.441
182 HB3 SER 26 3HB SER 26 20.565 -6.046 -19.031
183 HG SER 26 HG SER 26 19.243 -3.906 -17.797
184 H GLU 27 H GLU 27 19.443 -6.370 -21.256
185 HA GLU 27 HA GLU 27 17.999 -8.784 -21.792
186 HB2 GLU 27 2HB GLU 27 19.278 -8.878 -23.848
187 HB3 GLU 27 3HB GLU 27 18.712 -7.235 -23.580
188 HG2 GLU 27 2HG GLU 27 20.943 -6.661 -22.678
189 HG3 GLU 27 3HG GLU 27 21.489 -8.284 -23.093
190 H ASP 28 H ASP 28 20.804 -8.050 -20.047
191 HA ASP 28 HA ASP 28 21.864 -10.773 -20.335
192 HB2 ASP 28 2HB ASP 28 23.225 -8.451 -20.425
193 HB3 ASP 28 3HB ASP 28 23.318 -8.773 -18.696
194 H GLU 29 H GLU 29 20.276 -8.631 -18.135
195 HA GLU 29 HA GLU 29 19.828 -10.777 -16.278
196 HB2 GLU 29 2HB GLU 29 20.841 -9.779 -14.341
197 HB3 GLU 29 3HB GLU 29 22.067 -9.919 -15.593
198 HG2 GLU 29 2HG GLU 29 21.652 -7.525 -16.160
199 HG3 GLU 29 3HG GLU 29 20.602 -7.434 -14.747
200 H GLU 30 H GLU 30 18.436 -10.043 -14.428
201 HA GLU 30 HA GLU 30 17.043 -7.537 -14.760
202 HB2 GLU 30 2HB GLU 30 15.861 -8.815 -16.420
203 HB3 GLU 30 3HB GLU 30 15.671 -10.169 -15.315
204 HG2 GLU 30 2HG GLU 30 14.208 -8.830 -13.905
205 HG3 GLU 30 3HG GLU 30 14.415 -7.454 -14.986
206 H TYR 31 H TYR 31 16.575 -6.805 -12.800
207 HA TYR 31 HA TYR 31 15.560 -8.549 -10.737
208 HB2 TYR 31 2HB TYR 31 17.305 -8.040 -9.101
209 HB3 TYR 31 3HB TYR 31 17.987 -8.868 -10.497
210 HD1 TYR 31 HD2 TYR 31 17.583 -5.529 -8.931
211 HD2 TYR 31 HD1 TYR 31 19.726 -7.892 -11.747
212 HE1 TYR 31 HE2 TYR 31 19.220 -3.713 -9.201
213 HE2 TYR 31 HE1 TYR 31 21.370 -6.083 -12.023
214 HH TYR 31 HH TYR 31 21.167 -3.108 -10.105
215 H LYS 32 H LYS 32 14.968 -7.329 -8.766
216 HA LYS 32 HA LYS 32 14.704 -4.442 -9.160
217 HB2 LYS 32 2HB LYS 32 12.371 -6.250 -8.503
218 HB3 LYS 32 3HB LYS 32 12.321 -4.494 -8.593
219 HG2 LYS 32 2HG LYS 32 11.508 -4.992 -10.650
220 HG3 LYS 32 3HG LYS 32 13.231 -4.954 -11.032
221 HD2 LYS 32 2HD LYS 32 13.347 -7.198 -11.348
222 HD3 LYS 32 3HD LYS 32 12.143 -7.543 -10.105
223 HE2 LYS 32 2HE LYS 32 10.541 -6.370 -11.860
224 HE3 LYS 32 3HE LYS 32 11.783 -6.912 -12.988
225 HZ1 LYS 32 3HZ LYS 32 10.422 -8.697 -11.048
226 HZ2 LYS 32 1HZ LYS 32 11.461 -9.154 -12.303
227 HZ3 LYS 32 2HZ LYS 32 9.937 -8.511 -12.658
228 H SER 33 H SER 33 14.940 -3.297 -7.326
229 HA SER 33 HA SER 33 14.293 -4.300 -4.740
230 HB2 SER 33 2HB SER 33 17.139 -4.413 -5.673
231 HB3 SER 33 3HB SER 33 16.796 -4.047 -3.983
232 HG SER 33 HG SER 33 17.001 -6.390 -4.899
233 H CYS 34 H CYS 34 14.341 -2.703 -3.164
234 HA CYS 34 HA CYS 34 15.703 -0.275 -3.294
235 HB2 CYS 34 2HB CYS 34 13.759 -0.303 -5.230
236 HB3 CYS 34 3HB CYS 34 12.922 0.464 -3.885
237 H GLY 35 H GLY 35 14.008 1.497 -2.098
238 HA2 GLY 35 2HA GLY 35 12.238 0.571 -0.177
239 HA3 GLY 35 3HA GLY 35 13.838 0.452 0.541
240 H ILE 36 H ILE 36 15.129 2.426 0.653
241 HA ILE 36 HA ILE 36 13.400 4.781 1.011
242 HB ILE 36 HB ILE 36 15.361 5.597 2.452
243 HG12 ILE 36 2HG1 ILE 36 15.986 2.637 2.391
244 HG13 ILE 36 3HG1 ILE 36 16.981 3.903 1.679
245 HG21 ILE 36 1HG2 ILE 36 13.982 3.187 3.581
246 HG22 ILE 36 2HG2 ILE 36 14.383 4.709 4.374
247 HG23 ILE 36 3HG2 ILE 36 13.088 4.654 3.179
248 HD11 ILE 36 3HD1 ILE 36 16.322 3.730 4.607
249 HD12 ILE 36 1HD1 ILE 36 17.782 3.065 3.875
250 HD13 ILE 36 2HD1 ILE 36 17.485 4.803 3.828
251 H GLN 37 H GLN 37 13.862 6.674 0.015
252 HA GLN 37 HA GLN 37 15.287 6.763 -2.338
253 HB2 GLN 37 2HB GLN 37 13.603 8.446 -1.501
254 HB3 GLN 37 3HB GLN 37 14.887 9.139 -0.520
255 HG2 GLN 37 2HG GLN 37 15.277 10.463 -2.261
256 HG3 GLN 37 3HG GLN 37 16.030 9.052 -3.002
257 HE21 GLN 37 1HE2 GLN 37 14.475 7.596 -4.180
258 HE22 GLN 37 2HE2 GLN 37 13.265 8.366 -5.142
259 H GLU 38 H GLU 38 16.425 7.258 0.929
260 HA GLU 38 HA GLU 38 18.885 8.487 0.351
261 HB2 GLU 38 2HB GLU 38 17.962 8.418 2.610
262 HB3 GLU 38 3HB GLU 38 18.134 6.669 2.646
263 HG2 GLU 38 2HG GLU 38 20.613 7.037 2.327
264 HG3 GLU 38 3HG GLU 38 20.303 8.742 2.646
265 H GLU 39 H GLU 39 17.922 5.098 0.490
266 HA GLU 39 HA GLU 39 20.623 4.176 -0.009
267 HB2 GLU 39 2HB GLU 39 17.975 2.795 0.353
268 HB3 GLU 39 3HB GLU 39 19.399 1.918 -0.189
269 HG2 GLU 39 2HG GLU 39 20.578 2.543 1.844
270 HG3 GLU 39 3HG GLU 39 19.174 3.462 2.385
271 H CYS 40 H CYS 40 17.544 4.355 -1.748
272 HA CYS 40 HA CYS 40 18.382 3.063 -4.099
273 HB2 CYS 40 2HB CYS 40 16.074 4.556 -3.200
274 HB3 CYS 40 3HB CYS 40 16.481 4.980 -4.859
275 H GLU 41 H GLU 41 18.600 6.414 -3.049
276 HA GLU 41 HA GLU 41 19.325 7.598 -5.471
277 HB2 GLU 41 2HB GLU 41 18.734 8.908 -3.501
278 HB3 GLU 41 3HB GLU 41 20.168 8.331 -2.662
279 HG2 GLU 41 2HG GLU 41 20.565 9.700 -5.257
280 HG3 GLU 41 3HG GLU 41 20.073 10.684 -3.879
281 H ASP 42 H ASP 42 21.094 5.519 -3.372
282 HA ASP 42 HA ASP 42 23.725 6.202 -3.847
283 HB2 ASP 42 2HB ASP 42 22.879 4.384 -2.317
284 HB3 ASP 42 3HB ASP 42 22.701 3.362 -3.740
285 H ALA 43 H ALA 43 21.438 4.649 -5.972
286 HA ALA 43 HA ALA 43 23.295 3.656 -7.870
287 HB1 ALA 43 1HB ALA 43 21.436 3.228 -9.262
288 HB2 ALA 43 2HB ALA 43 20.874 2.975 -7.609
289 HB3 ALA 43 3HB ALA 43 20.459 4.461 -8.464
290 H GLU 44 H GLU 44 24.780 5.341 -8.254
291 HA GLU 44 HA GLU 44 23.944 7.898 -9.220
292 HB2 GLU 44 2HB GLU 44 26.077 7.563 -8.026
293 HB3 GLU 44 3HB GLU 44 26.660 6.578 -9.361
294 HG2 GLU 44 2HG GLU 44 26.601 8.468 -10.847
295 HG3 GLU 44 3HG GLU 44 25.868 9.471 -9.596
296 H GLY 45 H GLY 45 24.096 8.734 -11.314
297 HA2 GLY 45 2HA GLY 45 24.535 8.589 -13.642
298 HA3 GLY 45 3HA GLY 45 24.648 6.843 -13.485
299 H ALA 46 H ALA 46 22.207 6.518 -12.000
300 HA ALA 46 HA ALA 46 20.247 7.188 -14.099
301 HB1 ALA 46 1HB ALA 46 20.795 4.803 -14.087
302 HB2 ALA 46 2HB ALA 46 20.322 4.703 -12.390
303 HB3 ALA 46 3HB ALA 46 19.117 5.084 -13.621
304 H THR 47 H THR 47 18.325 8.042 -13.490
305 HA THR 47 HA THR 47 18.098 8.988 -10.770
306 HB THR 47 HB THR 47 15.978 9.355 -12.868
307 HG1 THR 47 HG1 THR 47 18.536 10.558 -12.713
308 HG21 THR 47 3HG2 THR 47 15.425 10.187 -10.683
309 HG22 THR 47 1HG2 THR 47 15.782 11.566 -11.722
310 HG23 THR 47 2HG2 THR 47 16.978 11.011 -10.551
311 H VAL 48 H VAL 48 16.580 8.412 -9.266
312 HA VAL 48 HA VAL 48 15.106 5.934 -9.829
313 HB VAL 48 HB VAL 48 15.828 7.183 -7.173
314 HG11 VAL 48 1HG1 VAL 48 14.340 4.668 -7.883
315 HG12 VAL 48 2HG1 VAL 48 15.104 4.911 -6.310
316 HG13 VAL 48 3HG1 VAL 48 13.818 5.994 -6.844
317 HG21 VAL 48 3HG2 VAL 48 17.812 6.222 -7.483
318 HG22 VAL 48 1HG2 VAL 48 16.994 4.660 -7.425
319 HG23 VAL 48 2HG2 VAL 48 17.270 5.454 -8.976
320 H LEU 49 H LEU 49 13.006 6.099 -10.215
321 HA LEU 49 HA LEU 49 11.480 8.217 -8.856
322 HB2 LEU 49 2HB LEU 49 11.988 8.463 -11.407
323 HB3 LEU 49 3HB LEU 49 10.708 7.263 -11.578
324 HG LEU 49 HG LEU 49 9.410 9.017 -10.047
325 HD11 LEU 49 1HD1 LEU 49 10.790 10.779 -9.708
326 HD12 LEU 49 2HD1 LEU 49 10.133 11.276 -11.267
327 HD13 LEU 49 3HD1 LEU 49 11.709 10.489 -11.185
328 HD21 LEU 49 3HD2 LEU 49 8.341 8.475 -11.992
329 HD22 LEU 49 1HD2 LEU 49 9.762 8.786 -12.991
330 HD23 LEU 49 2HD2 LEU 49 8.813 10.134 -12.363
331 H CYS 50 H CYS 50 9.597 7.611 -7.935
332 HA CYS 50 HA CYS 50 8.653 4.866 -8.441
333 HB2 CYS 50 2HB CYS 50 9.858 5.355 -6.190
334 HB3 CYS 50 3HB CYS 50 8.369 6.189 -5.759
335 H CYS 51 H CYS 51 6.420 4.511 -8.336
336 HA CYS 51 HA CYS 51 4.822 6.939 -8.720
337 HB2 CYS 51 2HB CYS 51 3.782 4.184 -9.264
338 HB3 CYS 51 3HB CYS 51 3.387 5.703 -10.062
339 HA PRO 52 HA PRO 52 2.644 6.468 -4.936
340 HB2 PRO 52 2HB PRO 52 0.226 7.493 -5.622
341 HB3 PRO 52 3HB PRO 52 1.665 8.494 -5.398
342 HG2 PRO 52 2HG PRO 52 0.443 7.473 -7.933
343 HG3 PRO 52 3HG PRO 52 1.096 9.083 -7.575
344 HD2 PRO 52 2HD PRO 52 2.489 7.220 -8.962
345 HD3 PRO 52 3HD PRO 52 3.276 8.409 -7.903
346 H GLU 53 H GLU 53 1.797 4.756 -7.733
347 HA GLU 53 HA GLU 53 -0.452 3.365 -6.520
348 HB2 GLU 53 2HB GLU 53 0.548 3.768 -9.201
349 HB3 GLU 53 3HB GLU 53 0.277 2.058 -8.894
350 HG2 GLU 53 2HG GLU 53 -1.763 4.226 -8.453
351 HG3 GLU 53 3HG GLU 53 -1.670 3.199 -9.883
352 H ASP 54 H ASP 54 -0.308 0.832 -7.143
353 HA ASP 54 HA ASP 54 2.014 -0.132 -5.640
354 HB2 ASP 54 2HB ASP 54 0.737 -1.984 -5.005
355 HB3 ASP 54 3HB ASP 54 -0.444 -0.677 -5.034
356 H LEU 55 H LEU 55 3.377 -1.722 -6.400
357 HA LEU 55 HA LEU 55 4.599 -2.867 -7.938
358 HB2 LEU 55 2HB LEU 55 1.907 -3.248 -9.239
359 HB3 LEU 55 3HB LEU 55 3.365 -4.163 -9.613
360 HG LEU 55 HG LEU 55 1.753 -4.238 -7.069
361 HD11 LEU 55 1HD1 LEU 55 1.463 -6.584 -7.645
362 HD12 LEU 55 2HD1 LEU 55 2.420 -6.356 -9.108
363 HD13 LEU 55 3HD1 LEU 55 0.865 -5.542 -8.937
364 HD21 LEU 55 3HD2 LEU 55 4.094 -4.295 -6.469
365 HD22 LEU 55 1HD2 LEU 55 4.407 -5.527 -7.692
366 HD23 LEU 55 2HD2 LEU 55 3.398 -5.907 -6.296
367 H CYS 56 H CYS 56 5.167 -0.432 -8.351
368 HA CYS 56 HA CYS 56 4.512 0.328 -11.105
369 HB2 CYS 56 2HB CYS 56 4.213 2.061 -9.404
370 HB3 CYS 56 3HB CYS 56 5.894 1.885 -8.909
371 H ASN 57 H ASN 57 7.026 -1.000 -9.193
372 HA ASN 57 HA ASN 57 9.001 -0.495 -11.314
373 HB2 ASN 57 2HB ASN 57 10.720 -0.853 -9.712
374 HB3 ASN 57 3HB ASN 57 9.527 0.172 -8.919
375 HD21 ASN 57 1HD2 ASN 57 11.562 -2.126 -8.232
376 HD22 ASN 57 2HD2 ASN 57 10.682 -3.043 -7.062
Start of MODEL 11
1 H1 LEU 1 H LEU 1 2.019 -0.548 0.825
2 HA LEU 1 HA LEU 1 0.919 -0.385 -1.900
3 HB2 LEU 1 2HB LEU 1 2.544 1.502 -0.912
4 HB3 LEU 1 3HB LEU 1 3.753 0.355 -1.486
5 HG LEU 1 HG LEU 1 2.539 0.471 -3.733
6 HD11 LEU 1 1HD1 LEU 1 1.519 2.914 -3.869
7 HD12 LEU 1 2HD1 LEU 1 1.124 2.568 -2.186
8 HD13 LEU 1 3HD1 LEU 1 0.534 1.508 -3.466
9 HD21 LEU 1 3HD2 LEU 1 4.594 1.459 -3.815
10 HD22 LEU 1 1HD2 LEU 1 4.245 2.556 -2.478
11 HD23 LEU 1 2HD2 LEU 1 3.577 2.877 -4.078
12 H GLN 2 H GLN 2 2.533 -1.391 -3.513
13 HA GLN 2 HA GLN 2 3.841 -3.741 -2.331
14 HB2 GLN 2 2HB GLN 2 1.675 -3.657 -4.364
15 HB3 GLN 2 3HB GLN 2 2.959 -4.835 -4.607
16 HG2 GLN 2 2HG GLN 2 2.529 -5.675 -2.303
17 HG3 GLN 2 3HG GLN 2 1.139 -4.593 -2.225
18 HE21 GLN 2 1HE2 GLN 2 2.421 -6.702 -4.772
19 HE22 GLN 2 2HE2 GLN 2 0.961 -7.596 -5.005
20 H CYS 3 H CYS 3 5.572 -4.614 -3.537
21 HA CYS 3 HA CYS 3 6.504 -2.993 -5.802
22 HB2 CYS 3 2HB CYS 3 8.397 -3.947 -3.662
23 HB3 CYS 3 3HB CYS 3 8.682 -2.750 -4.922
24 H ASN 4 H ASN 4 7.791 -4.077 -7.310
25 HA ASN 4 HA ASN 4 7.307 -6.896 -7.486
26 HB2 ASN 4 2HB ASN 4 8.844 -4.969 -9.233
27 HB3 ASN 4 3HB ASN 4 8.683 -6.683 -9.604
28 HD21 ASN 4 1HD2 ASN 4 6.769 -3.800 -8.879
29 HD22 ASN 4 2HD2 ASN 4 5.442 -4.210 -9.907
30 H THR 5 H THR 5 8.967 -8.515 -7.795
31 HA THR 5 HA THR 5 11.459 -7.886 -6.350
32 HB THR 5 HB THR 5 11.474 -10.142 -5.440
33 HG1 THR 5 HG1 THR 5 9.993 -11.628 -5.999
34 HG21 THR 5 3HG2 THR 5 10.172 -9.557 -3.710
35 HG22 THR 5 1HG2 THR 5 8.721 -9.499 -4.709
36 HG23 THR 5 2HG2 THR 5 9.802 -8.107 -4.643
37 H LEU 6 H LEU 6 13.301 -9.265 -6.895
38 HA LEU 6 HA LEU 6 13.675 -9.455 -9.692
39 HB2 LEU 6 2HB LEU 6 15.860 -10.078 -9.228
40 HB3 LEU 6 3HB LEU 6 15.410 -9.084 -7.844
41 HG LEU 6 HG LEU 6 15.411 -12.100 -7.841
42 HD11 LEU 6 1HD1 LEU 6 17.446 -10.269 -6.593
43 HD12 LEU 6 2HD1 LEU 6 17.670 -11.053 -8.157
44 HD13 LEU 6 3HD1 LEU 6 17.489 -12.029 -6.700
45 HD21 LEU 6 3HD2 LEU 6 15.552 -11.477 -5.291
46 HD22 LEU 6 1HD2 LEU 6 14.000 -11.540 -6.127
47 HD23 LEU 6 2HD2 LEU 6 14.783 -9.986 -5.840
48 H ASP 7 H ASP 7 12.477 -11.658 -7.334
49 HA ASP 7 HA ASP 7 13.016 -14.053 -8.820
50 HB2 ASP 7 2HB ASP 7 12.633 -13.821 -6.279
51 HB3 ASP 7 3HB ASP 7 10.918 -13.790 -6.679
52 H GLY 8 H GLY 8 10.925 -11.542 -9.329
53 HA2 GLY 8 2HA GLY 8 9.415 -11.425 -11.132
54 HA3 GLY 8 3HA GLY 8 9.302 -13.179 -11.122
55 H GLY 9 H GLY 9 9.008 -12.528 -7.997
56 HA2 GLY 9 2HA GLY 9 6.093 -12.629 -8.133
57 HA3 GLY 9 3HA GLY 9 7.082 -12.973 -6.721
58 H THR 10 H THR 10 5.043 -11.537 -6.083
59 HA THR 10 HA THR 10 5.876 -8.714 -6.158
60 HB THR 10 HB THR 10 3.443 -8.372 -5.297
61 HG1 THR 10 HG1 THR 10 3.158 -10.881 -6.619
62 HG21 THR 10 3HG2 THR 10 2.640 -8.151 -7.551
63 HG22 THR 10 1HG2 THR 10 3.849 -9.289 -8.144
64 HG23 THR 10 2HG2 THR 10 4.348 -7.713 -7.531
65 H GLU 11 H GLU 11 6.013 -7.525 -4.268
66 HA GLU 11 HA GLU 11 5.725 -9.025 -1.752
67 HB2 GLU 11 2HB GLU 11 7.755 -7.990 -0.895
68 HB3 GLU 11 3HB GLU 11 8.103 -8.887 -2.366
69 HG2 GLU 11 2HG GLU 11 8.489 -6.987 -3.600
70 HG3 GLU 11 3HG GLU 11 7.519 -5.970 -2.536
71 H GLU 12 H GLU 12 5.099 -7.837 0.061
72 HA GLU 12 HA GLU 12 3.665 -5.391 -0.565
73 HB2 GLU 12 2HB GLU 12 2.701 -5.631 1.678
74 HB3 GLU 12 3HB GLU 12 2.530 -7.111 0.744
75 HG2 GLU 12 2HG GLU 12 4.583 -7.961 1.920
76 HG3 GLU 12 3HG GLU 12 4.460 -6.556 2.978
77 H CYS 13 H CYS 13 4.524 -3.452 -0.292
78 HA CYS 13 HA CYS 13 6.925 -3.149 1.333
79 HB2 CYS 13 2HB CYS 13 5.539 -1.146 -0.462
80 HB3 CYS 13 3HB CYS 13 7.121 -0.949 0.286
81 H ILE 14 H ILE 14 6.901 -2.352 3.324
82 HA ILE 14 HA ILE 14 4.485 -1.595 4.606
83 HB ILE 14 HB ILE 14 7.322 -1.196 5.563
84 HG12 ILE 14 2HG1 ILE 14 5.419 -3.441 6.246
85 HG13 ILE 14 3HG1 ILE 14 6.637 -3.564 4.981
86 HG21 ILE 14 1HG2 ILE 14 6.373 -1.049 7.781
87 HG22 ILE 14 2HG2 ILE 14 5.641 0.171 6.740
88 HG23 ILE 14 3HG2 ILE 14 4.751 -1.300 7.134
89 HD11 ILE 14 3HD1 ILE 14 7.279 -2.929 7.846
90 HD12 ILE 14 1HD1 ILE 14 7.274 -4.560 7.178
91 HD13 ILE 14 2HD1 ILE 14 8.401 -3.355 6.555
92 HA PRO 15 HA PRO 15 4.365 2.683 3.490
93 HB2 PRO 15 2HB PRO 15 2.503 3.463 5.305
94 HB3 PRO 15 3HB PRO 15 2.100 2.545 3.849
95 HG2 PRO 15 2HG PRO 15 2.472 1.576 6.657
96 HG3 PRO 15 3HG PRO 15 1.228 1.130 5.475
97 HD2 PRO 15 2HD PRO 15 3.387 -0.425 5.975
98 HD3 PRO 15 3HD PRO 15 2.621 -0.341 4.376
99 H GLY 16 H GLY 16 6.623 2.857 4.371
100 HA2 GLY 16 2HA GLY 16 7.063 5.030 5.901
101 HA3 GLY 16 3HA GLY 16 6.883 3.766 7.109
102 H ILE 17 H ILE 17 8.126 1.643 5.841
103 HA ILE 17 HA ILE 17 10.889 2.376 6.209
104 HB ILE 17 HB ILE 17 9.802 -0.308 5.360
105 HG12 ILE 17 2HG1 ILE 17 10.284 0.758 8.151
106 HG13 ILE 17 3HG1 ILE 17 8.711 0.431 7.434
107 HG21 ILE 17 1HG2 ILE 17 11.857 -1.205 6.138
108 HG22 ILE 17 2HG2 ILE 17 12.259 0.169 5.109
109 HG23 ILE 17 3HG2 ILE 17 12.330 0.332 6.863
110 HD11 ILE 17 3HD1 ILE 17 8.847 -1.577 8.356
111 HD12 ILE 17 1HD1 ILE 17 10.083 -1.951 7.155
112 HD13 ILE 17 2HD1 ILE 17 10.552 -1.359 8.749
113 H TYR 18 H TYR 18 8.767 1.623 3.539
114 HA TYR 18 HA TYR 18 10.982 2.202 1.691
115 HB2 TYR 18 2HB TYR 18 8.794 0.220 1.072
116 HB3 TYR 18 3HB TYR 18 10.286 0.499 0.181
117 HD1 TYR 18 HD1 TYR 18 12.386 0.384 2.100
118 HD2 TYR 18 HD2 TYR 18 8.798 -1.900 1.979
119 HE1 TYR 18 HE1 TYR 18 13.488 -1.405 3.378
120 HE2 TYR 18 HE2 TYR 18 9.890 -3.695 3.257
121 HH TYR 18 HH TYR 18 13.126 -3.988 3.616
122 H ASN 19 H ASN 19 10.562 4.006 0.623
123 HA ASN 19 HA ASN 19 7.760 4.625 -0.053
124 HB2 ASN 19 2HB ASN 19 8.119 6.897 0.347
125 HB3 ASN 19 3HB ASN 19 9.038 6.129 1.638
126 HD21 ASN 19 1HD2 ASN 19 11.289 6.121 1.541
127 HD22 ASN 19 2HD2 ASN 19 12.160 7.202 0.512
128 H VAL 20 H VAL 20 10.816 3.894 -1.250
129 HA VAL 20 HA VAL 20 10.150 5.040 -3.884
130 HB VAL 20 HB VAL 20 12.568 4.904 -4.407
131 HG11 VAL 20 1HG1 VAL 20 13.267 6.776 -2.888
132 HG12 VAL 20 2HG1 VAL 20 11.731 7.025 -3.720
133 HG13 VAL 20 3HG1 VAL 20 11.749 6.549 -2.021
134 HG21 VAL 20 3HG2 VAL 20 12.860 3.126 -2.505
135 HG22 VAL 20 1HG2 VAL 20 14.178 4.223 -2.914
136 HG23 VAL 20 2HG2 VAL 20 13.166 4.547 -1.507
137 H CYS 21 H CYS 21 11.312 3.740 -5.695
138 HA CYS 21 HA CYS 21 11.566 0.911 -5.241
139 HB2 CYS 21 2HB CYS 21 9.748 0.378 -6.949
140 HB3 CYS 21 3HB CYS 21 9.204 0.867 -5.348
141 H VAL 22 H VAL 22 12.671 -0.113 -6.870
142 HA VAL 22 HA VAL 22 13.241 1.426 -9.307
143 HB VAL 22 HB VAL 22 15.231 0.305 -7.368
144 HG11 VAL 22 1HG1 VAL 22 15.497 0.459 -10.342
145 HG12 VAL 22 2HG1 VAL 22 16.905 0.713 -9.309
146 HG13 VAL 22 3HG1 VAL 22 16.019 -0.811 -9.236
147 HG21 VAL 22 3HG2 VAL 22 15.432 2.800 -9.024
148 HG22 VAL 22 1HG2 VAL 22 14.506 2.758 -7.523
149 HG23 VAL 22 2HG2 VAL 22 16.235 2.414 -7.502
150 H HIS 23 H HIS 23 13.399 0.243 -11.149
151 HA HIS 23 HA HIS 23 13.264 -2.688 -10.887
152 HB2 HIS 23 2HB HIS 23 11.062 -1.961 -11.493
153 HB3 HIS 23 3HB HIS 23 11.695 -0.890 -12.739
154 HD1 HIS 23 HD1 HIS 23 10.205 -2.110 -14.500
155 HD2 HIS 23 HD2 HIS 23 13.075 -4.513 -12.698
156 HE1 HIS 23 HE1 HIS 23 10.328 -4.186 -15.914
157 H TYR 24 H TYR 24 15.069 -3.531 -11.679
158 HA TYR 24 HA TYR 24 16.426 -2.176 -13.900
159 HB2 TYR 24 2HB TYR 24 17.708 -2.653 -11.801
160 HB3 TYR 24 3HB TYR 24 17.496 -4.372 -12.118
161 HD1 TYR 24 HD1 TYR 24 18.378 -5.244 -14.394
162 HD2 TYR 24 HD2 TYR 24 19.551 -1.533 -12.674
163 HE1 TYR 24 HE1 TYR 24 20.397 -5.238 -15.798
164 HE2 TYR 24 HE2 TYR 24 21.572 -1.516 -14.075
165 HH TYR 24 HH TYR 24 22.917 -2.839 -15.383
166 H LYS 25 H LYS 25 16.027 -2.935 -15.859
167 HA LYS 25 HA LYS 25 15.680 -5.840 -16.204
168 HB2 LYS 25 2HB LYS 25 13.508 -4.800 -16.459
169 HB3 LYS 25 3HB LYS 25 14.164 -3.618 -17.584
170 HG2 LYS 25 2HG LYS 25 14.724 -5.533 -19.109
171 HG3 LYS 25 3HG LYS 25 13.798 -6.570 -18.022
172 HD2 LYS 25 2HD LYS 25 12.592 -4.069 -19.150
173 HD3 LYS 25 3HD LYS 25 12.626 -5.558 -20.097
174 HE2 LYS 25 2HE LYS 25 11.633 -6.598 -17.900
175 HE3 LYS 25 3HE LYS 25 11.151 -4.932 -17.580
176 HZ1 LYS 25 3HZ LYS 25 10.521 -6.296 -20.131
177 HZ2 LYS 25 1HZ LYS 25 9.839 -4.879 -19.507
178 HZ3 LYS 25 2HZ LYS 25 9.493 -6.372 -18.790
179 H SER 26 H SER 26 17.321 -6.625 -17.333
180 HA SER 26 HA SER 26 18.314 -5.089 -19.634
181 HB2 SER 26 2HB SER 26 19.920 -6.298 -17.395
182 HB3 SER 26 3HB SER 26 20.627 -6.074 -18.995
183 HG SER 26 HG SER 26 19.694 -3.805 -18.659
184 H GLU 27 H GLU 27 19.485 -6.423 -21.213
185 HA GLU 27 HA GLU 27 18.069 -8.860 -21.712
186 HB2 GLU 27 2HB GLU 27 19.420 -8.975 -23.761
187 HB3 GLU 27 3HB GLU 27 18.690 -7.389 -23.552
188 HG2 GLU 27 2HG GLU 27 20.741 -6.416 -22.921
189 HG3 GLU 27 3HG GLU 27 21.508 -7.989 -22.712
190 H ASP 28 H ASP 28 20.877 -8.076 -19.997
191 HA ASP 28 HA ASP 28 21.971 -10.787 -20.272
192 HB2 ASP 28 2HB ASP 28 23.302 -8.451 -20.399
193 HB3 ASP 28 3HB ASP 28 23.412 -8.751 -18.667
194 H GLU 29 H GLU 29 20.377 -8.644 -18.077
195 HA GLU 29 HA GLU 29 19.973 -10.780 -16.196
196 HB2 GLU 29 2HB GLU 29 21.021 -9.807 -14.292
197 HB3 GLU 29 3HB GLU 29 22.223 -9.837 -15.574
198 HG2 GLU 29 2HG GLU 29 21.580 -7.437 -16.048
199 HG3 GLU 29 3HG GLU 29 20.686 -7.481 -14.529
200 H GLU 30 H GLU 30 18.588 -10.047 -14.341
201 HA GLU 30 HA GLU 30 17.164 -7.560 -14.676
202 HB2 GLU 30 2HB GLU 30 16.011 -8.907 -16.330
203 HB3 GLU 30 3HB GLU 30 15.784 -10.204 -15.165
204 HG2 GLU 30 2HG GLU 30 14.357 -8.726 -13.822
205 HG3 GLU 30 3HG GLU 30 14.556 -7.459 -15.032
206 H TYR 31 H TYR 31 16.697 -6.824 -12.718
207 HA TYR 31 HA TYR 31 15.722 -8.573 -10.639
208 HB2 TYR 31 2HB TYR 31 17.469 -8.030 -9.018
209 HB3 TYR 31 3HB TYR 31 18.158 -8.848 -10.416
210 HD1 TYR 31 HD1 TYR 31 17.691 -5.508 -8.864
211 HD2 TYR 31 HD2 TYR 31 19.877 -7.844 -11.670
212 HE1 TYR 31 HE1 TYR 31 19.292 -3.662 -9.146
213 HE2 TYR 31 HE2 TYR 31 21.484 -6.005 -11.958
214 HH TYR 31 HH TYR 31 22.240 -4.049 -10.969
215 H LYS 32 H LYS 32 15.116 -7.354 -8.674
216 HA LYS 32 HA LYS 32 14.786 -4.475 -9.099
217 HB2 LYS 32 2HB LYS 32 12.539 -6.390 -8.447
218 HB3 LYS 32 3HB LYS 32 12.408 -4.638 -8.371
219 HG2 LYS 32 2HG LYS 32 12.290 -4.411 -10.615
220 HG3 LYS 32 3HG LYS 32 13.369 -5.774 -10.921
221 HD2 LYS 32 2HD LYS 32 11.174 -6.982 -9.799
222 HD3 LYS 32 3HD LYS 32 10.454 -5.685 -10.756
223 HE2 LYS 32 2HE LYS 32 10.578 -7.276 -12.374
224 HE3 LYS 32 3HE LYS 32 12.190 -6.588 -12.557
225 HZ1 LYS 32 3HZ LYS 32 11.537 -8.982 -10.926
226 HZ2 LYS 32 1HZ LYS 32 13.081 -8.341 -11.185
227 HZ3 LYS 32 2HZ LYS 32 12.219 -9.017 -12.473
228 H SER 33 H SER 33 15.039 -3.293 -7.292
229 HA SER 33 HA SER 33 14.487 -4.269 -4.673
230 HB2 SER 33 2HB SER 33 17.275 -4.411 -5.716
231 HB3 SER 33 3HB SER 33 17.052 -3.862 -4.055
232 HG SER 33 HG SER 33 16.440 -5.808 -3.483
233 H CYS 34 H CYS 34 14.485 -2.641 -3.143
234 HA CYS 34 HA CYS 34 15.787 -0.183 -3.317
235 HB2 CYS 34 2HB CYS 34 13.841 -0.293 -5.249
236 HB3 CYS 34 3HB CYS 34 12.990 0.482 -3.917
237 H GLY 35 H GLY 35 14.036 1.567 -2.156
238 HA2 GLY 35 2HA GLY 35 12.285 0.654 -0.225
239 HA3 GLY 35 3HA GLY 35 13.882 0.544 0.500
240 H ILE 36 H ILE 36 15.183 2.536 0.542
241 HA ILE 36 HA ILE 36 13.443 4.883 0.907
242 HB ILE 36 HB ILE 36 15.428 5.717 2.318
243 HG12 ILE 36 2HG1 ILE 36 16.011 2.748 2.346
244 HG13 ILE 36 3HG1 ILE 36 17.003 3.961 1.545
245 HG21 ILE 36 1HG2 ILE 36 13.113 4.379 2.932
246 HG22 ILE 36 2HG2 ILE 36 14.338 3.461 3.807
247 HG23 ILE 36 3HG2 ILE 36 14.167 5.194 4.088
248 HD11 ILE 36 3HD1 ILE 36 16.481 4.506 4.370
249 HD12 ILE 36 1HD1 ILE 36 17.401 3.034 4.060
250 HD13 ILE 36 2HD1 ILE 36 17.984 4.584 3.451
251 H GLN 37 H GLN 37 13.908 6.782 -0.086
252 HA GLN 37 HA GLN 37 15.298 6.858 -2.461
253 HB2 GLN 37 2HB GLN 37 13.635 8.552 -1.590
254 HB3 GLN 37 3HB GLN 37 14.948 9.246 -0.649
255 HG2 GLN 37 2HG GLN 37 15.301 10.552 -2.410
256 HG3 GLN 37 3HG GLN 37 16.023 9.130 -3.161
257 HE21 GLN 37 1HE2 GLN 37 14.464 7.695 -4.322
258 HE22 GLN 37 2HE2 GLN 37 13.218 8.460 -5.241
259 H GLU 38 H GLU 38 16.491 7.311 0.785
260 HA GLU 38 HA GLU 38 18.955 8.530 0.155
261 HB2 GLU 38 2HB GLU 38 18.098 8.541 2.423
262 HB3 GLU 38 3HB GLU 38 18.169 6.786 2.494
263 HG2 GLU 38 2HG GLU 38 20.500 6.764 2.591
264 HG3 GLU 38 3HG GLU 38 20.628 8.427 2.021
265 H GLU 39 H GLU 39 17.949 5.157 0.367
266 HA GLU 39 HA GLU 39 20.631 4.190 -0.147
267 HB2 GLU 39 2HB GLU 39 17.970 2.826 0.225
268 HB3 GLU 39 3HB GLU 39 19.418 1.944 -0.241
269 HG2 GLU 39 2HG GLU 39 20.507 2.485 1.795
270 HG3 GLU 39 3HG GLU 39 19.252 3.643 2.231
271 H CYS 40 H CYS 40 17.585 4.558 -1.875
272 HA CYS 40 HA CYS 40 18.374 3.161 -4.214
273 HB2 CYS 40 2HB CYS 40 16.079 4.679 -3.307
274 HB3 CYS 40 3HB CYS 40 16.468 5.065 -4.980
275 H GLU 41 H GLU 41 18.670 6.494 -3.157
276 HA GLU 41 HA GLU 41 19.400 7.618 -5.640
277 HB2 GLU 41 2HB GLU 41 18.679 8.965 -3.711
278 HB3 GLU 41 3HB GLU 41 20.143 8.515 -2.850
279 HG2 GLU 41 2HG GLU 41 21.446 9.936 -4.030
280 HG3 GLU 41 3HG GLU 41 20.495 9.761 -5.504
281 H ASP 42 H ASP 42 21.076 5.572 -3.488
282 HA ASP 42 HA ASP 42 23.722 6.309 -3.756
283 HB2 ASP 42 2HB ASP 42 24.263 4.213 -2.958
284 HB3 ASP 42 3HB ASP 42 22.571 4.312 -2.479
285 H ALA 43 H ALA 43 21.604 4.841 -6.093
286 HA ALA 43 HA ALA 43 23.608 3.929 -7.889
287 HB1 ALA 43 1HB ALA 43 21.827 3.614 -9.466
288 HB2 ALA 43 2HB ALA 43 21.261 3.117 -7.871
289 HB3 ALA 43 3HB ALA 43 20.760 4.670 -8.539
290 H GLU 44 H GLU 44 25.062 5.705 -8.039
291 HA GLU 44 HA GLU 44 24.281 8.274 -8.940
292 HB2 GLU 44 2HB GLU 44 26.609 8.745 -9.156
293 HB3 GLU 44 3HB GLU 44 26.421 7.717 -7.743
294 HG2 GLU 44 2HG GLU 44 27.036 5.770 -9.189
295 HG3 GLU 44 3HG GLU 44 27.428 6.925 -10.461
296 H GLY 45 H GLY 45 24.159 9.154 -10.951
297 HA2 GLY 45 2HA GLY 45 24.508 9.256 -13.281
298 HA3 GLY 45 3HA GLY 45 24.995 7.568 -13.260
299 H ALA 46 H ALA 46 22.551 6.958 -11.588
300 HA ALA 46 HA ALA 46 20.638 6.927 -13.827
301 HB1 ALA 46 1HB ALA 46 20.505 4.738 -13.505
302 HB2 ALA 46 2HB ALA 46 21.617 4.847 -12.141
303 HB3 ALA 46 3HB ALA 46 19.882 5.027 -11.880
304 H THR 47 H THR 47 18.476 7.403 -13.460
305 HA THR 47 HA THR 47 17.978 8.994 -11.054
306 HB THR 47 HB THR 47 16.220 8.795 -13.502
307 HG1 THR 47 HG1 THR 47 17.298 10.652 -14.225
308 HG21 THR 47 3HG2 THR 47 15.576 11.122 -12.651
309 HG22 THR 47 1HG2 THR 47 16.367 10.658 -11.145
310 HG23 THR 47 2HG2 THR 47 14.985 9.736 -11.736
311 H VAL 48 H VAL 48 16.500 8.464 -9.544
312 HA VAL 48 HA VAL 48 15.113 5.896 -9.877
313 HB VAL 48 HB VAL 48 15.717 7.447 -7.355
314 HG11 VAL 48 1HG1 VAL 48 13.826 6.293 -6.757
315 HG12 VAL 48 2HG1 VAL 48 14.136 4.978 -7.892
316 HG13 VAL 48 3HG1 VAL 48 15.066 5.091 -6.397
317 HG21 VAL 48 3HG2 VAL 48 17.355 5.769 -8.907
318 HG22 VAL 48 1HG2 VAL 48 17.674 6.399 -7.291
319 HG23 VAL 48 2HG2 VAL 48 16.886 4.833 -7.488
320 H LEU 49 H LEU 49 13.026 5.959 -10.351
321 HA LEU 49 HA LEU 49 11.398 8.164 -9.279
322 HB2 LEU 49 2HB LEU 49 11.999 8.128 -11.833
323 HB3 LEU 49 3HB LEU 49 10.725 6.912 -11.901
324 HG LEU 49 HG LEU 49 9.410 8.846 -10.591
325 HD11 LEU 49 1HD1 LEU 49 10.958 10.556 -10.500
326 HD12 LEU 49 2HD1 LEU 49 10.041 10.962 -11.950
327 HD13 LEU 49 3HD1 LEU 49 11.618 10.187 -12.094
328 HD21 LEU 49 3HD2 LEU 49 8.347 8.026 -12.444
329 HD22 LEU 49 1HD2 LEU 49 9.761 8.223 -13.480
330 HD23 LEU 49 2HD2 LEU 49 8.795 9.629 -13.030
331 H CYS 50 H CYS 50 9.565 7.579 -8.280
332 HA CYS 50 HA CYS 50 8.651 4.795 -8.589
333 HB2 CYS 50 2HB CYS 50 9.859 5.481 -6.378
334 HB3 CYS 50 3HB CYS 50 8.337 6.282 -6.002
335 H CYS 51 H CYS 51 6.422 4.424 -8.448
336 HA CYS 51 HA CYS 51 4.796 6.802 -8.992
337 HB2 CYS 51 2HB CYS 51 3.816 3.989 -9.345
338 HB3 CYS 51 3HB CYS 51 3.347 5.446 -10.215
339 HA PRO 52 HA PRO 52 2.643 6.569 -5.171
340 HB2 PRO 52 2HB PRO 52 0.213 7.528 -5.911
341 HB3 PRO 52 3HB PRO 52 1.646 8.553 -5.763
342 HG2 PRO 52 2HG PRO 52 0.420 7.356 -8.217
343 HG3 PRO 52 3HG PRO 52 1.062 8.990 -7.971
344 HD2 PRO 52 2HD PRO 52 2.463 7.050 -9.237
345 HD3 PRO 52 3HD PRO 52 3.246 8.313 -8.264
346 H GLU 53 H GLU 53 1.761 4.691 -7.861
347 HA GLU 53 HA GLU 53 -0.429 3.339 -6.494
348 HB2 GLU 53 2HB GLU 53 0.759 3.070 -9.252
349 HB3 GLU 53 3HB GLU 53 -0.456 1.959 -8.635
350 HG2 GLU 53 2HG GLU 53 -1.769 3.440 -9.766
351 HG3 GLU 53 3HG GLU 53 -1.789 4.154 -8.154
352 H ASP 54 H ASP 54 -0.294 0.789 -7.031
353 HA ASP 54 HA ASP 54 2.084 -0.106 -5.586
354 HB2 ASP 54 2HB ASP 54 -0.176 -1.938 -6.275
355 HB3 ASP 54 3HB ASP 54 0.850 -1.916 -4.844
356 H LEU 55 H LEU 55 3.421 -1.763 -6.316
357 HA LEU 55 HA LEU 55 4.640 -2.921 -7.846
358 HB2 LEU 55 2HB LEU 55 1.942 -3.226 -9.156
359 HB3 LEU 55 3HB LEU 55 3.386 -4.138 -9.591
360 HG LEU 55 HG LEU 55 1.837 -4.292 -7.010
361 HD11 LEU 55 1HD1 LEU 55 1.227 -6.449 -7.672
362 HD12 LEU 55 2HD1 LEU 55 2.449 -6.504 -8.942
363 HD13 LEU 55 3HD1 LEU 55 1.031 -5.472 -9.128
364 HD21 LEU 55 3HD2 LEU 55 4.236 -4.416 -6.556
365 HD22 LEU 55 1HD2 LEU 55 4.403 -5.684 -7.771
366 HD23 LEU 55 2HD2 LEU 55 3.455 -5.980 -6.314
367 H CYS 56 H CYS 56 5.320 -0.533 -8.232
368 HA CYS 56 HA CYS 56 4.705 0.304 -10.973
369 HB2 CYS 56 2HB CYS 56 4.466 2.018 -9.243
370 HB3 CYS 56 3HB CYS 56 6.137 1.769 -8.747
371 H ASN 57 H ASN 57 7.150 -1.161 -9.076
372 HA ASN 57 HA ASN 57 9.128 -0.746 -11.218
373 HB2 ASN 57 2HB ASN 57 10.862 -1.138 -9.605
374 HB3 ASN 57 3HB ASN 57 9.751 0.039 -8.912
375 HD21 ASN 57 1HD2 ASN 57 11.595 -2.405 -8.071
376 HD22 ASN 57 2HD2 ASN 57 10.662 -3.116 -6.803
Start of MODEL 12
1 H1 LEU 1 H LEU 1 1.715 0.195 0.585
2 HA LEU 1 HA LEU 1 1.343 0.290 -2.334
3 HB2 LEU 1 2HB LEU 1 2.872 1.910 -0.693
4 HB3 LEU 1 3HB LEU 1 4.043 0.789 -1.386
5 HG LEU 1 HG LEU 1 3.854 2.898 -2.650
6 HD11 LEU 1 1HD1 LEU 1 4.160 1.880 -4.656
7 HD12 LEU 1 2HD1 LEU 1 2.733 0.859 -4.486
8 HD13 LEU 1 3HD1 LEU 1 4.216 0.452 -3.622
9 HD21 LEU 1 3HD2 LEU 1 1.121 1.992 -3.503
10 HD22 LEU 1 1HD2 LEU 1 1.904 3.549 -3.773
11 HD23 LEU 1 2HD2 LEU 1 1.357 3.106 -2.156
12 H GLN 2 H GLN 2 2.532 -1.105 -3.654
13 HA GLN 2 HA GLN 2 3.927 -3.300 -2.280
14 HB2 GLN 2 2HB GLN 2 1.673 -3.426 -4.225
15 HB3 GLN 2 3HB GLN 2 2.918 -4.663 -4.327
16 HG2 GLN 2 2HG GLN 2 2.358 -4.592 -1.644
17 HG3 GLN 2 3HG GLN 2 0.783 -4.310 -2.384
18 HE21 GLN 2 1HE2 GLN 2 0.973 -5.804 -4.665
19 HE22 GLN 2 2HE2 GLN 2 1.105 -7.478 -4.257
20 H CYS 3 H CYS 3 5.600 -4.306 -3.444
21 HA CYS 3 HA CYS 3 6.409 -2.984 -5.941
22 HB2 CYS 3 2HB CYS 3 8.417 -3.705 -3.816
23 HB3 CYS 3 3HB CYS 3 8.629 -2.655 -5.213
24 H ASN 4 H ASN 4 7.605 -4.253 -7.377
25 HA ASN 4 HA ASN 4 7.091 -7.065 -7.202
26 HB2 ASN 4 2HB ASN 4 8.638 -5.430 -9.225
27 HB3 ASN 4 3HB ASN 4 8.295 -7.150 -9.394
28 HD21 ASN 4 1HD2 ASN 4 6.802 -3.979 -9.078
29 HD22 ASN 4 2HD2 ASN 4 5.346 -4.380 -9.917
30 H THR 5 H THR 5 8.866 -8.665 -7.692
31 HA THR 5 HA THR 5 11.352 -7.947 -6.283
32 HB THR 5 HB THR 5 11.420 -10.064 -5.170
33 HG1 THR 5 HG1 THR 5 9.653 -11.568 -5.484
34 HG21 THR 5 3HG2 THR 5 9.314 -9.995 -3.826
35 HG22 THR 5 1HG2 THR 5 8.687 -8.800 -4.960
36 HG23 THR 5 2HG2 THR 5 10.112 -8.431 -3.989
37 H LEU 6 H LEU 6 13.214 -9.240 -6.847
38 HA LEU 6 HA LEU 6 13.458 -9.646 -9.635
39 HB2 LEU 6 2HB LEU 6 15.694 -10.119 -9.240
40 HB3 LEU 6 3HB LEU 6 15.260 -9.034 -7.920
41 HG LEU 6 HG LEU 6 15.420 -12.035 -7.667
42 HD11 LEU 6 1HD1 LEU 6 17.488 -11.340 -6.266
43 HD12 LEU 6 2HD1 LEU 6 17.455 -9.885 -7.261
44 HD13 LEU 6 3HD1 LEU 6 17.631 -11.467 -8.019
45 HD21 LEU 6 3HD2 LEU 6 15.668 -11.174 -5.189
46 HD22 LEU 6 1HD2 LEU 6 14.081 -11.407 -5.923
47 HD23 LEU 6 2HD2 LEU 6 14.777 -9.789 -5.823
48 H ASP 7 H ASP 7 12.512 -11.702 -7.039
49 HA ASP 7 HA ASP 7 13.099 -14.182 -8.359
50 HB2 ASP 7 2HB ASP 7 12.853 -13.769 -5.829
51 HB3 ASP 7 3HB ASP 7 11.117 -13.839 -6.119
52 H GLY 8 H GLY 8 10.847 -11.830 -8.941
53 HA2 GLY 8 2HA GLY 8 9.259 -11.970 -10.688
54 HA3 GLY 8 3HA GLY 8 9.196 -13.712 -10.458
55 H GLY 9 H GLY 9 9.057 -12.715 -7.422
56 HA2 GLY 9 2HA GLY 9 6.140 -12.860 -7.383
57 HA3 GLY 9 3HA GLY 9 7.209 -13.052 -6.002
58 H THR 10 H THR 10 5.190 -11.573 -5.399
59 HA THR 10 HA THR 10 6.002 -8.768 -5.784
60 HB THR 10 HB THR 10 3.585 -8.368 -4.861
61 HG1 THR 10 HG1 THR 10 2.182 -10.098 -5.526
62 HG21 THR 10 3HG2 THR 10 4.456 -7.862 -7.161
63 HG22 THR 10 1HG2 THR 10 2.740 -8.259 -7.097
64 HG23 THR 10 2HG2 THR 10 3.902 -9.462 -7.655
65 H GLU 11 H GLU 11 6.194 -7.406 -4.020
66 HA GLU 11 HA GLU 11 5.995 -8.666 -1.367
67 HB2 GLU 11 2HB GLU 11 8.037 -7.517 -0.679
68 HB3 GLU 11 3HB GLU 11 8.349 -8.573 -2.049
69 HG2 GLU 11 2HG GLU 11 8.674 -6.820 -3.503
70 HG3 GLU 11 3HG GLU 11 7.739 -5.694 -2.521
71 H GLU 12 H GLU 12 5.406 -7.324 0.346
72 HA GLU 12 HA GLU 12 3.934 -4.952 -0.458
73 HB2 GLU 12 2HB GLU 12 3.147 -4.987 1.928
74 HB3 GLU 12 3HB GLU 12 2.752 -6.426 0.998
75 HG2 GLU 12 2HG GLU 12 4.536 -7.653 2.041
76 HG3 GLU 12 3HG GLU 12 5.088 -6.205 2.882
77 H CYS 13 H CYS 13 4.706 -2.961 -0.297
78 HA CYS 13 HA CYS 13 7.101 -2.509 1.341
79 HB2 CYS 13 2HB CYS 13 5.949 -0.966 -0.989
80 HB3 CYS 13 3HB CYS 13 7.325 -0.416 -0.037
81 H ILE 14 H ILE 14 6.684 -1.726 3.295
82 HA ILE 14 HA ILE 14 4.268 -0.279 3.879
83 HB ILE 14 HB ILE 14 5.149 -0.125 6.171
84 HG12 ILE 14 2HG1 ILE 14 7.569 -1.526 5.014
85 HG13 ILE 14 3HG1 ILE 14 7.528 0.121 5.633
86 HG21 ILE 14 1HG2 ILE 14 4.506 -2.227 6.629
87 HG22 ILE 14 2HG2 ILE 14 4.219 -2.330 4.893
88 HG23 ILE 14 3HG2 ILE 14 5.727 -2.938 5.574
89 HD11 ILE 14 3HD1 ILE 14 7.991 -0.615 7.660
90 HD12 ILE 14 1HD1 ILE 14 6.549 -1.629 7.647
91 HD13 ILE 14 2HD1 ILE 14 8.076 -2.260 7.030
92 HA PRO 15 HA PRO 15 5.748 3.810 3.194
93 HB2 PRO 15 2HB PRO 15 4.062 5.159 4.840
94 HB3 PRO 15 3HB PRO 15 3.547 4.462 3.300
95 HG2 PRO 15 2HG PRO 15 3.223 3.379 6.071
96 HG3 PRO 15 3HG PRO 15 2.053 3.413 4.739
97 HD2 PRO 15 2HD PRO 15 3.470 1.196 5.378
98 HD3 PRO 15 3HD PRO 15 2.978 1.568 3.714
99 H GLY 16 H GLY 16 5.985 2.196 6.177
100 HA2 GLY 16 2HA GLY 16 7.098 4.366 7.700
101 HA3 GLY 16 3HA GLY 16 7.081 2.670 8.158
102 H ILE 17 H ILE 17 8.328 2.182 5.371
103 HA ILE 17 HA ILE 17 11.024 3.198 5.858
104 HB ILE 17 HB ILE 17 10.526 0.254 5.426
105 HG12 ILE 17 2HG1 ILE 17 11.248 1.716 7.976
106 HG13 ILE 17 3HG1 ILE 17 9.709 0.929 7.640
107 HG21 ILE 17 1HG2 ILE 17 13.071 1.127 6.551
108 HG22 ILE 17 2HG2 ILE 17 12.739 0.016 5.223
109 HG23 ILE 17 3HG2 ILE 17 12.766 1.755 4.931
110 HD11 ILE 17 3HD1 ILE 17 12.199 -0.188 8.605
111 HD12 ILE 17 1HD1 ILE 17 10.565 -0.849 8.653
112 HD13 ILE 17 2HD1 ILE 17 11.562 -1.065 7.214
113 H TYR 18 H TYR 18 9.556 0.690 3.791
114 HA TYR 18 HA TYR 18 10.988 1.617 1.489
115 HB2 TYR 18 2HB TYR 18 8.673 -0.319 1.504
116 HB3 TYR 18 3HB TYR 18 9.967 -0.194 0.318
117 HD1 TYR 18 HD2 TYR 18 12.336 -0.037 2.090
118 HD2 TYR 18 HD1 TYR 18 8.870 -2.494 2.330
119 HE1 TYR 18 HE2 TYR 18 13.629 -1.731 3.319
120 HE2 TYR 18 HE1 TYR 18 10.153 -4.194 3.560
121 HH TYR 18 HH TYR 18 13.613 -3.961 3.946
122 H ASN 19 H ASN 19 10.434 3.536 0.659
123 HA ASN 19 HA ASN 19 7.578 4.024 0.119
124 HB2 ASN 19 2HB ASN 19 8.508 6.516 0.055
125 HB3 ASN 19 3HB ASN 19 8.008 5.755 1.562
126 HD21 ASN 19 1HD2 ASN 19 10.926 5.540 -0.444
127 HD22 ASN 19 2HD2 ASN 19 12.033 5.923 0.826
128 H VAL 20 H VAL 20 10.607 3.479 -1.218
129 HA VAL 20 HA VAL 20 9.795 4.692 -3.780
130 HB VAL 20 HB VAL 20 12.198 4.660 -4.398
131 HG11 VAL 20 1HG1 VAL 20 12.790 6.370 -2.395
132 HG12 VAL 20 2HG1 VAL 20 11.762 6.781 -3.770
133 HG13 VAL 20 3HG1 VAL 20 11.035 6.290 -2.239
134 HG21 VAL 20 3HG2 VAL 20 13.868 3.929 -3.029
135 HG22 VAL 20 1HG2 VAL 20 12.972 4.298 -1.556
136 HG23 VAL 20 2HG2 VAL 20 12.578 2.855 -2.489
137 H CYS 21 H CYS 21 10.921 3.505 -5.684
138 HA CYS 21 HA CYS 21 11.246 0.658 -5.325
139 HB2 CYS 21 2HB CYS 21 9.454 0.189 -7.088
140 HB3 CYS 21 3HB CYS 21 8.891 0.586 -5.468
141 H VAL 22 H VAL 22 12.379 -0.295 -6.978
142 HA VAL 22 HA VAL 22 12.969 1.342 -9.345
143 HB VAL 22 HB VAL 22 14.935 0.187 -7.409
144 HG11 VAL 22 1HG1 VAL 22 15.738 -0.911 -9.290
145 HG12 VAL 22 2HG1 VAL 22 15.266 0.397 -10.377
146 HG13 VAL 22 3HG1 VAL 22 16.649 0.599 -9.300
147 HG21 VAL 22 3HG2 VAL 22 15.143 2.703 -9.035
148 HG22 VAL 22 1HG2 VAL 22 14.217 2.637 -7.535
149 HG23 VAL 22 2HG2 VAL 22 15.948 2.299 -7.519
150 H HIS 23 H HIS 23 13.170 0.230 -11.230
151 HA HIS 23 HA HIS 23 13.021 -2.709 -11.077
152 HB2 HIS 23 2HB HIS 23 10.853 -1.958 -11.748
153 HB3 HIS 23 3HB HIS 23 11.535 -0.823 -12.909
154 HD1 HIS 23 HD1 HIS 23 10.172 -1.913 -14.827
155 HD2 HIS 23 HD2 HIS 23 12.859 -4.478 -12.967
156 HE1 HIS 23 HE1 HIS 23 10.338 -3.919 -16.333
157 H TYR 24 H TYR 24 14.822 -3.568 -11.854
158 HA TYR 24 HA TYR 24 16.295 -2.141 -13.955
159 HB2 TYR 24 2HB TYR 24 17.482 -2.730 -11.827
160 HB3 TYR 24 3HB TYR 24 17.259 -4.429 -12.230
161 HD1 TYR 24 HD2 TYR 24 18.213 -5.205 -14.516
162 HD2 TYR 24 HD1 TYR 24 19.380 -1.607 -12.567
163 HE1 TYR 24 HE2 TYR 24 20.288 -5.169 -15.836
164 HE2 TYR 24 HE1 TYR 24 21.457 -1.560 -13.883
165 HH TYR 24 HH TYR 24 22.585 -4.198 -15.630
166 H LYS 25 H LYS 25 15.961 -2.811 -15.958
167 HA LYS 25 HA LYS 25 15.585 -5.692 -16.439
168 HB2 LYS 25 2HB LYS 25 13.438 -4.610 -16.728
169 HB3 LYS 25 3HB LYS 25 14.152 -3.392 -17.777
170 HG2 LYS 25 2HG LYS 25 14.707 -5.188 -19.396
171 HG3 LYS 25 3HG LYS 25 13.838 -6.327 -18.365
172 HD2 LYS 25 2HD LYS 25 11.781 -5.109 -18.673
173 HD3 LYS 25 3HD LYS 25 12.623 -3.840 -19.567
174 HE2 LYS 25 2HE LYS 25 11.607 -5.169 -21.213
175 HE3 LYS 25 3HE LYS 25 13.297 -5.671 -21.205
176 HZ1 LYS 25 3HZ LYS 25 11.410 -7.434 -21.194
177 HZ2 LYS 25 1HZ LYS 25 11.365 -7.120 -19.532
178 HZ3 LYS 25 2HZ LYS 25 12.792 -7.675 -20.250
179 H SER 26 H SER 26 17.259 -6.451 -17.538
180 HA SER 26 HA SER 26 18.354 -4.837 -19.736
181 HB2 SER 26 2HB SER 26 19.865 -6.161 -17.495
182 HB3 SER 26 3HB SER 26 20.631 -5.871 -19.057
183 HG SER 26 HG SER 26 20.961 -4.146 -17.574
184 H GLU 27 H GLU 27 19.566 -6.120 -21.325
185 HA GLU 27 HA GLU 27 18.142 -8.518 -21.973
186 HB2 GLU 27 2HB GLU 27 19.389 -8.518 -24.015
187 HB3 GLU 27 3HB GLU 27 18.954 -6.852 -23.658
188 HG2 GLU 27 2HG GLU 27 21.208 -6.477 -22.755
189 HG3 GLU 27 3HG GLU 27 21.636 -8.132 -23.186
190 H ASP 28 H ASP 28 20.901 -7.835 -20.137
191 HA ASP 28 HA ASP 28 21.975 -10.545 -20.484
192 HB2 ASP 28 2HB ASP 28 23.331 -8.218 -20.463
193 HB3 ASP 28 3HB ASP 28 23.380 -8.597 -18.744
194 H GLU 29 H GLU 29 20.325 -8.479 -18.258
195 HA GLU 29 HA GLU 29 19.835 -10.686 -16.483
196 HB2 GLU 29 2HB GLU 29 20.838 -9.829 -14.512
197 HB3 GLU 29 3HB GLU 29 22.077 -9.767 -15.758
198 HG2 GLU 29 2HG GLU 29 21.326 -7.336 -16.097
199 HG3 GLU 29 3HG GLU 29 20.530 -7.517 -14.535
200 H GLU 30 H GLU 30 18.392 -10.016 -14.648
201 HA GLU 30 HA GLU 30 16.999 -7.505 -14.938
202 HB2 GLU 30 2HB GLU 30 15.905 -8.814 -16.677
203 HB3 GLU 30 3HB GLU 30 15.597 -10.115 -15.536
204 HG2 GLU 30 2HG GLU 30 14.190 -8.546 -14.220
205 HG3 GLU 30 3HG GLU 30 14.406 -7.354 -15.501
206 H TYR 31 H TYR 31 16.475 -6.832 -12.971
207 HA TYR 31 HA TYR 31 15.422 -8.643 -10.986
208 HB2 TYR 31 2HB TYR 31 17.120 -8.187 -9.295
209 HB3 TYR 31 3HB TYR 31 17.856 -8.939 -10.706
210 HD1 TYR 31 HD1 TYR 31 17.348 -5.684 -9.001
211 HD2 TYR 31 HD2 TYR 31 19.605 -7.873 -11.868
212 HE1 TYR 31 HE1 TYR 31 18.958 -3.829 -9.142
213 HE2 TYR 31 HE2 TYR 31 21.221 -6.025 -12.016
214 HH TYR 31 HH TYR 31 21.868 -3.992 -10.150
215 H LYS 32 H LYS 32 14.771 -7.486 -8.995
216 HA LYS 32 HA LYS 32 14.464 -4.593 -9.342
217 HB2 LYS 32 2HB LYS 32 12.181 -6.469 -8.701
218 HB3 LYS 32 3HB LYS 32 12.085 -4.714 -8.752
219 HG2 LYS 32 2HG LYS 32 12.279 -4.643 -11.065
220 HG3 LYS 32 3HG LYS 32 12.965 -6.267 -11.153
221 HD2 LYS 32 2HD LYS 32 10.513 -6.699 -9.987
222 HD3 LYS 32 3HD LYS 32 10.176 -5.407 -11.142
223 HE2 LYS 32 2HE LYS 32 11.871 -7.513 -12.233
224 HE3 LYS 32 3HE LYS 32 10.293 -8.098 -11.709
225 HZ1 LYS 32 3HZ LYS 32 10.126 -5.648 -13.179
226 HZ2 LYS 32 1HZ LYS 32 9.300 -7.105 -13.416
227 HZ3 LYS 32 2HZ LYS 32 10.838 -6.887 -14.083
228 H SER 33 H SER 33 14.691 -3.464 -7.499
229 HA SER 33 HA SER 33 14.075 -4.498 -4.919
230 HB2 SER 33 2HB SER 33 16.915 -4.575 -5.870
231 HB3 SER 33 3HB SER 33 16.583 -4.212 -4.177
232 HG SER 33 HG SER 33 16.755 -6.565 -5.188
233 H CYS 34 H CYS 34 14.125 -2.917 -3.323
234 HA CYS 34 HA CYS 34 15.448 -0.467 -3.450
235 HB2 CYS 34 2HB CYS 34 13.480 -0.508 -5.359
236 HB3 CYS 34 3HB CYS 34 12.647 0.231 -3.995
237 H GLY 35 H GLY 35 13.735 1.266 -2.217
238 HA2 GLY 35 2HA GLY 35 11.976 0.392 -0.308
239 HA3 GLY 35 3HA GLY 35 13.559 0.112 0.403
240 H ILE 36 H ILE 36 14.984 1.954 0.668
241 HA ILE 36 HA ILE 36 13.447 4.388 1.228
242 HB ILE 36 HB ILE 36 15.527 5.034 2.541
243 HG12 ILE 36 2HG1 ILE 36 16.141 2.091 2.199
244 HG13 ILE 36 3HG1 ILE 36 17.032 3.398 1.428
245 HG21 ILE 36 1HG2 ILE 36 13.366 4.074 3.453
246 HG22 ILE 36 2HG2 ILE 36 14.204 2.526 3.535
247 HG23 ILE 36 3HG2 ILE 36 14.793 3.897 4.473
248 HD11 ILE 36 3HD1 ILE 36 17.910 4.144 3.467
249 HD12 ILE 36 1HD1 ILE 36 16.752 3.201 4.405
250 HD13 ILE 36 2HD1 ILE 36 18.039 2.386 3.516
251 H GLN 37 H GLN 37 13.780 6.230 0.148
252 HA GLN 37 HA GLN 37 15.096 6.378 -2.260
253 HB2 GLN 37 2HB GLN 37 13.431 8.022 -1.468
254 HB3 GLN 37 3HB GLN 37 14.618 8.665 -0.342
255 HG2 GLN 37 2HG GLN 37 15.140 10.115 -1.935
256 HG3 GLN 37 3HG GLN 37 15.929 8.769 -2.756
257 HE21 GLN 37 1HE2 GLN 37 14.154 7.335 -3.914
258 HE22 GLN 37 2HE2 GLN 37 13.107 8.232 -4.955
259 H GLU 38 H GLU 38 16.376 6.851 0.955
260 HA GLU 38 HA GLU 38 18.766 8.161 0.321
261 HB2 GLU 38 2HB GLU 38 17.688 7.589 2.628
262 HB3 GLU 38 3HB GLU 38 18.631 6.111 2.505
263 HG2 GLU 38 2HG GLU 38 20.674 7.454 2.273
264 HG3 GLU 38 3HG GLU 38 19.712 8.919 2.461
265 H GLU 39 H GLU 39 17.933 4.732 0.335
266 HA GLU 39 HA GLU 39 20.631 3.953 -0.384
267 HB2 GLU 39 2HB GLU 39 18.076 2.413 0.048
268 HB3 GLU 39 3HB GLU 39 19.545 1.650 -0.544
269 HG2 GLU 39 2HG GLU 39 19.551 3.237 1.991
270 HG3 GLU 39 3HG GLU 39 19.025 1.555 1.967
271 H CYS 40 H CYS 40 17.430 4.071 -1.892
272 HA CYS 40 HA CYS 40 18.151 2.914 -4.351
273 HB2 CYS 40 2HB CYS 40 15.853 4.277 -3.230
274 HB3 CYS 40 3HB CYS 40 16.118 4.758 -4.903
275 H GLU 41 H GLU 41 18.578 6.113 -3.067
276 HA GLU 41 HA GLU 41 19.231 7.257 -5.654
277 HB2 GLU 41 2HB GLU 41 18.036 8.499 -3.776
278 HB3 GLU 41 3HB GLU 41 19.591 8.557 -2.958
279 HG2 GLU 41 2HG GLU 41 20.156 9.485 -5.495
280 HG3 GLU 41 3HG GLU 41 18.574 10.174 -5.135
281 H ASP 42 H ASP 42 20.811 5.178 -3.826
282 HA ASP 42 HA ASP 42 23.358 6.406 -3.463
283 HB2 ASP 42 2HB ASP 42 22.505 4.391 -2.207
284 HB3 ASP 42 3HB ASP 42 22.778 3.448 -3.669
285 H ALA 43 H ALA 43 21.754 4.922 -6.126
286 HA ALA 43 HA ALA 43 24.079 4.212 -7.621
287 HB1 ALA 43 1HB ALA 43 21.290 4.730 -8.641
288 HB2 ALA 43 2HB ALA 43 22.571 3.838 -9.462
289 HB3 ALA 43 3HB ALA 43 21.855 3.193 -7.985
290 H GLU 44 H GLU 44 25.299 6.206 -7.353
291 HA GLU 44 HA GLU 44 24.535 8.724 -8.204
292 HB2 GLU 44 2HB GLU 44 27.001 9.083 -8.651
293 HB3 GLU 44 3HB GLU 44 26.589 8.513 -7.040
294 HG2 GLU 44 2HG GLU 44 27.252 6.270 -7.613
295 HG3 GLU 44 3HG GLU 44 27.547 6.752 -9.283
296 H GLY 45 H GLY 45 24.140 9.644 -10.117
297 HA2 GLY 45 2HA GLY 45 24.533 10.032 -12.424
298 HA3 GLY 45 3HA GLY 45 25.223 8.421 -12.551
299 H ALA 46 H ALA 46 22.790 7.487 -10.917
300 HA ALA 46 HA ALA 46 21.025 7.208 -13.248
301 HB1 ALA 46 1HB ALA 46 20.063 5.343 -11.637
302 HB2 ALA 46 2HB ALA 46 21.485 5.059 -12.641
303 HB3 ALA 46 3HB ALA 46 21.677 5.462 -10.935
304 H THR 47 H THR 47 18.704 7.207 -12.892
305 HA THR 47 HA THR 47 17.930 9.030 -10.708
306 HB THR 47 HB THR 47 16.592 8.695 -13.400
307 HG1 THR 47 HG1 THR 47 18.525 10.473 -12.407
308 HG21 THR 47 3HG2 THR 47 14.840 9.513 -12.233
309 HG22 THR 47 1HG2 THR 47 15.699 11.045 -12.390
310 HG23 THR 47 2HG2 THR 47 15.856 10.093 -10.914
311 H VAL 48 H VAL 48 16.594 8.250 -9.221
312 HA VAL 48 HA VAL 48 15.167 5.746 -9.787
313 HB VAL 48 HB VAL 48 16.599 5.577 -7.865
314 HG11 VAL 48 1HG1 VAL 48 15.415 7.336 -5.989
315 HG12 VAL 48 2HG1 VAL 48 17.066 7.349 -6.612
316 HG13 VAL 48 3HG1 VAL 48 15.807 8.276 -7.428
317 HG21 VAL 48 3HG2 VAL 48 15.099 4.424 -6.669
318 HG22 VAL 48 1HG2 VAL 48 14.129 5.858 -6.339
319 HG23 VAL 48 2HG2 VAL 48 13.920 4.982 -7.855
320 H LEU 49 H LEU 49 13.078 5.881 -10.237
321 HA LEU 49 HA LEU 49 11.486 7.992 -8.943
322 HB2 LEU 49 2HB LEU 49 12.089 7.994 -11.588
323 HB3 LEU 49 3HB LEU 49 10.579 7.084 -11.589
324 HG LEU 49 HG LEU 49 11.032 9.921 -10.690
325 HD11 LEU 49 1HD1 LEU 49 9.811 10.551 -12.509
326 HD12 LEU 49 2HD1 LEU 49 8.906 9.039 -12.569
327 HD13 LEU 49 3HD1 LEU 49 10.569 9.095 -13.153
328 HD21 LEU 49 3HD2 LEU 49 9.588 9.128 -9.035
329 HD22 LEU 49 1HD2 LEU 49 8.736 8.066 -10.157
330 HD23 LEU 49 2HD2 LEU 49 8.508 9.813 -10.250
331 H CYS 50 H CYS 50 9.529 7.396 -8.147
332 HA CYS 50 HA CYS 50 8.677 4.614 -8.613
333 HB2 CYS 50 2HB CYS 50 9.735 5.115 -6.329
334 HB3 CYS 50 3HB CYS 50 8.284 6.054 -5.995
335 H CYS 51 H CYS 51 6.443 4.212 -8.604
336 HA CYS 51 HA CYS 51 4.826 6.586 -9.186
337 HB2 CYS 51 2HB CYS 51 3.866 3.785 -9.639
338 HB3 CYS 51 3HB CYS 51 3.480 5.254 -10.531
339 HA PRO 52 HA PRO 52 2.479 6.267 -5.487
340 HB2 PRO 52 2HB PRO 52 0.095 7.251 -6.334
341 HB3 PRO 52 3HB PRO 52 1.519 8.268 -6.082
342 HG2 PRO 52 2HG PRO 52 0.426 7.136 -8.629
343 HG3 PRO 52 3HG PRO 52 1.057 8.762 -8.307
344 HD2 PRO 52 2HD PRO 52 2.522 6.850 -9.544
345 HD3 PRO 52 3HD PRO 52 3.252 8.085 -8.498
346 H GLU 53 H GLU 53 1.766 4.441 -8.253
347 HA GLU 53 HA GLU 53 -0.554 3.109 -7.135
348 HB2 GLU 53 2HB GLU 53 -0.708 1.941 -9.186
349 HB3 GLU 53 3HB GLU 53 -0.224 3.578 -9.607
350 HG2 GLU 53 2HG GLU 53 2.116 2.801 -9.770
351 HG3 GLU 53 3HG GLU 53 1.557 1.157 -9.464
352 H ASP 54 H ASP 54 -0.372 0.542 -7.558
353 HA ASP 54 HA ASP 54 1.848 -0.314 -5.840
354 HB2 ASP 54 2HB ASP 54 -0.504 -2.051 -6.508
355 HB3 ASP 54 3HB ASP 54 0.501 -2.047 -5.061
356 H LEU 55 H LEU 55 3.318 -1.803 -6.477
357 HA LEU 55 HA LEU 55 4.569 -3.106 -7.857
358 HB2 LEU 55 2HB LEU 55 1.921 -3.768 -9.137
359 HB3 LEU 55 3HB LEU 55 3.416 -4.689 -9.289
360 HG LEU 55 HG LEU 55 1.838 -4.328 -6.742
361 HD11 LEU 55 1HD1 LEU 55 2.067 -6.675 -8.619
362 HD12 LEU 55 2HD1 LEU 55 0.625 -5.712 -8.304
363 HD13 LEU 55 3HD1 LEU 55 1.308 -6.718 -7.027
364 HD21 LEU 55 3HD2 LEU 55 3.357 -6.223 -6.008
365 HD22 LEU 55 1HD2 LEU 55 4.098 -4.629 -6.145
366 HD23 LEU 55 2HD2 LEU 55 4.355 -5.832 -7.409
367 H CYS 56 H CYS 56 5.005 -0.705 -8.576
368 HA CYS 56 HA CYS 56 4.330 -0.353 -11.407
369 HB2 CYS 56 2HB CYS 56 3.912 1.561 -9.925
370 HB3 CYS 56 3HB CYS 56 5.608 1.570 -9.452
371 H ASN 57 H ASN 57 6.893 -1.272 -9.334
372 HA ASN 57 HA ASN 57 8.887 -0.861 -11.449
373 HB2 ASN 57 2HB ASN 57 10.568 -1.016 -9.794
374 HB3 ASN 57 3HB ASN 57 9.290 -0.052 -9.058
375 HD21 ASN 57 1HD2 ASN 57 11.421 -2.417 -8.461
376 HD22 ASN 57 2HD2 ASN 57 10.600 -3.263 -7.198
Start of MODEL 13
1 H1 LEU 1 H LEU 1 2.307 -0.802 0.999
2 HA LEU 1 HA LEU 1 1.145 -0.199 -1.588
3 HB2 LEU 1 2HB LEU 1 3.038 1.514 -0.691
4 HB3 LEU 1 3HB LEU 1 4.042 0.313 -1.502
5 HG LEU 1 HG LEU 1 2.662 0.681 -3.562
6 HD11 LEU 1 1HD1 LEU 1 1.535 3.029 -3.485
7 HD12 LEU 1 2HD1 LEU 1 1.416 2.705 -1.756
8 HD13 LEU 1 3HD1 LEU 1 0.659 1.610 -2.913
9 HD21 LEU 1 3HD2 LEU 1 4.389 2.770 -2.312
10 HD22 LEU 1 1HD2 LEU 1 3.624 3.090 -3.868
11 HD23 LEU 1 2HD2 LEU 1 4.713 1.715 -3.688
12 H GLN 2 H GLN 2 2.752 -1.189 -3.342
13 HA GLN 2 HA GLN 2 3.800 -3.735 -2.315
14 HB2 GLN 2 2HB GLN 2 1.427 -3.556 -3.681
15 HB3 GLN 2 3HB GLN 2 2.569 -3.898 -4.974
16 HG2 GLN 2 2HG GLN 2 2.894 -6.008 -4.305
17 HG3 GLN 2 3HG GLN 2 2.886 -5.576 -2.596
18 HE21 GLN 2 1HE2 GLN 2 0.432 -5.097 -5.096
19 HE22 GLN 2 2HE2 GLN 2 -0.803 -6.012 -4.309
20 H CYS 3 H CYS 3 5.487 -4.665 -3.521
21 HA CYS 3 HA CYS 3 6.589 -3.051 -5.707
22 HB2 CYS 3 2HB CYS 3 8.353 -4.110 -3.505
23 HB3 CYS 3 3HB CYS 3 8.759 -2.946 -4.762
24 H ASN 4 H ASN 4 7.804 -4.189 -7.214
25 HA ASN 4 HA ASN 4 7.251 -7.012 -7.337
26 HB2 ASN 4 2HB ASN 4 8.750 -5.162 -9.202
27 HB3 ASN 4 3HB ASN 4 8.449 -6.864 -9.536
28 HD21 ASN 4 1HD2 ASN 4 6.848 -3.802 -8.841
29 HD22 ASN 4 2HD2 ASN 4 5.407 -4.148 -9.730
30 H THR 5 H THR 5 8.951 -8.603 -7.841
31 HA THR 5 HA THR 5 11.473 -7.986 -6.444
32 HB THR 5 HB THR 5 10.926 -10.803 -6.397
33 HG1 THR 5 HG1 THR 5 8.899 -10.859 -5.812
34 HG21 THR 5 3HG2 THR 5 10.857 -10.118 -3.833
35 HG22 THR 5 1HG2 THR 5 11.505 -8.609 -4.475
36 HG23 THR 5 2HG2 THR 5 12.363 -10.125 -4.751
37 H LEU 6 H LEU 6 13.285 -9.449 -7.060
38 HA LEU 6 HA LEU 6 13.639 -9.445 -9.866
39 HB2 LEU 6 2HB LEU 6 15.797 -10.256 -9.463
40 HB3 LEU 6 3HB LEU 6 15.415 -9.246 -8.069
41 HG LEU 6 HG LEU 6 14.678 -11.629 -7.090
42 HD11 LEU 6 1HD1 LEU 6 16.514 -12.181 -9.352
43 HD12 LEU 6 2HD1 LEU 6 15.210 -13.161 -8.682
44 HD13 LEU 6 3HD1 LEU 6 16.765 -13.077 -7.853
45 HD21 LEU 6 3HD2 LEU 6 16.281 -9.981 -6.143
46 HD22 LEU 6 1HD2 LEU 6 17.540 -10.684 -7.159
47 HD23 LEU 6 2HD2 LEU 6 16.768 -11.661 -5.911
48 H ASP 7 H ASP 7 12.458 -11.809 -7.632
49 HA ASP 7 HA ASP 7 12.849 -14.074 -9.351
50 HB2 ASP 7 2HB ASP 7 12.721 -14.296 -6.892
51 HB3 ASP 7 3HB ASP 7 11.041 -13.771 -6.944
52 H GLY 8 H GLY 8 10.803 -11.479 -9.517
53 HA2 GLY 8 2HA GLY 8 9.208 -11.169 -11.223
54 HA3 GLY 8 3HA GLY 8 9.041 -12.913 -11.354
55 H GLY 9 H GLY 9 8.930 -12.542 -8.177
56 HA2 GLY 9 2HA GLY 9 6.035 -12.667 -8.126
57 HA3 GLY 9 3HA GLY 9 7.118 -12.946 -6.770
58 H THR 10 H THR 10 5.055 -11.595 -6.031
59 HA THR 10 HA THR 10 5.818 -8.748 -6.118
60 HB THR 10 HB THR 10 3.350 -8.468 -5.289
61 HG1 THR 10 HG1 THR 10 3.190 -10.901 -5.254
62 HG21 THR 10 3HG2 THR 10 3.855 -9.249 -8.160
63 HG22 THR 10 1HG2 THR 10 4.317 -7.697 -7.463
64 HG23 THR 10 2HG2 THR 10 2.615 -8.152 -7.553
65 H GLU 11 H GLU 11 5.897 -7.580 -4.212
66 HA GLU 11 HA GLU 11 5.525 -9.091 -1.716
67 HB2 GLU 11 2HB GLU 11 7.564 -8.119 -0.799
68 HB3 GLU 11 3HB GLU 11 7.921 -9.036 -2.256
69 HG2 GLU 11 2HG GLU 11 8.366 -7.140 -3.501
70 HG3 GLU 11 3HG GLU 11 7.465 -6.089 -2.410
71 H GLU 12 H GLU 12 4.872 -7.896 0.077
72 HA GLU 12 HA GLU 12 3.561 -5.388 -0.576
73 HB2 GLU 12 2HB GLU 12 2.497 -5.614 1.624
74 HB3 GLU 12 3HB GLU 12 2.301 -7.072 0.661
75 HG2 GLU 12 2HG GLU 12 4.256 -8.035 1.903
76 HG3 GLU 12 3HG GLU 12 4.172 -6.635 2.970
77 H CYS 13 H CYS 13 4.477 -3.485 -0.234
78 HA CYS 13 HA CYS 13 6.733 -3.310 1.634
79 HB2 CYS 13 2HB CYS 13 5.856 -1.498 -0.622
80 HB3 CYS 13 3HB CYS 13 7.190 -1.134 0.468
81 H ILE 14 H ILE 14 6.200 -2.671 3.612
82 HA ILE 14 HA ILE 14 3.809 -1.227 4.197
83 HB ILE 14 HB ILE 14 4.713 -1.110 6.514
84 HG12 ILE 14 2HG1 ILE 14 7.031 -2.677 5.363
85 HG13 ILE 14 3HG1 ILE 14 7.112 -0.989 5.856
86 HG21 ILE 14 1HG2 ILE 14 4.332 -3.370 6.992
87 HG22 ILE 14 2HG2 ILE 14 3.443 -3.078 5.498
88 HG23 ILE 14 3HG2 ILE 14 5.003 -3.901 5.450
89 HD11 ILE 14 3HD1 ILE 14 7.973 -2.763 7.474
90 HD12 ILE 14 1HD1 ILE 14 6.901 -1.517 8.111
91 HD13 ILE 14 2HD1 ILE 14 6.273 -3.130 7.770
92 HA PRO 15 HA PRO 15 5.220 2.914 3.705
93 HB2 PRO 15 2HB PRO 15 3.484 4.163 5.377
94 HB3 PRO 15 3HB PRO 15 3.006 3.520 3.802
95 HG2 PRO 15 2HG PRO 15 2.660 2.318 6.522
96 HG3 PRO 15 3HG PRO 15 1.511 2.385 5.173
97 HD2 PRO 15 2HD PRO 15 2.960 0.170 5.745
98 HD3 PRO 15 3HD PRO 15 2.487 0.600 4.089
99 H GLY 16 H GLY 16 6.740 4.195 4.608
100 HA2 GLY 16 2HA GLY 16 7.497 5.366 6.650
101 HA3 GLY 16 3HA GLY 16 7.272 3.840 7.494
102 H ILE 17 H ILE 17 8.485 1.992 6.043
103 HA ILE 17 HA ILE 17 11.281 2.780 6.213
104 HB ILE 17 HB ILE 17 10.144 0.040 5.653
105 HG12 ILE 17 2HG1 ILE 17 11.062 -0.055 8.215
106 HG13 ILE 17 3HG1 ILE 17 10.431 1.587 8.150
107 HG21 ILE 17 1HG2 ILE 17 12.848 0.782 6.748
108 HG22 ILE 17 2HG2 ILE 17 12.299 -0.799 6.194
109 HG23 ILE 17 3HG2 ILE 17 12.536 0.508 5.034
110 HD11 ILE 17 3HD1 ILE 17 8.982 -0.635 8.738
111 HD12 ILE 17 1HD1 ILE 17 8.313 0.891 8.160
112 HD13 ILE 17 2HD1 ILE 17 8.635 -0.418 7.023
113 H TYR 18 H TYR 18 9.026 1.424 3.839
114 HA TYR 18 HA TYR 18 11.005 2.006 1.735
115 HB2 TYR 18 2HB TYR 18 8.687 0.084 1.515
116 HB3 TYR 18 3HB TYR 18 10.044 0.261 0.408
117 HD1 TYR 18 HD1 TYR 18 12.358 0.264 2.162
118 HD2 TYR 18 HD2 TYR 18 8.799 -2.055 2.398
119 HE1 TYR 18 HE1 TYR 18 13.585 -1.484 3.382
120 HE2 TYR 18 HE2 TYR 18 10.015 -3.809 3.620
121 HH TYR 18 HH TYR 18 11.967 -4.156 4.885
122 H ASN 19 H ASN 19 10.549 3.870 0.772
123 HA ASN 19 HA ASN 19 7.728 4.481 0.175
124 HB2 ASN 19 2HB ASN 19 8.074 6.749 0.596
125 HB3 ASN 19 3HB ASN 19 9.037 5.977 1.853
126 HD21 ASN 19 1HD2 ASN 19 11.315 5.875 1.582
127 HD22 ASN 19 2HD2 ASN 19 12.133 7.023 0.584
128 H VAL 20 H VAL 20 10.797 3.839 -1.081
129 HA VAL 20 HA VAL 20 10.042 4.971 -3.698
130 HB VAL 20 HB VAL 20 12.472 4.867 -4.258
131 HG11 VAL 20 1HG1 VAL 20 13.107 6.792 -2.707
132 HG12 VAL 20 2HG1 VAL 20 11.662 6.997 -3.700
133 HG13 VAL 20 3HG1 VAL 20 11.508 6.585 -1.992
134 HG21 VAL 20 3HG2 VAL 20 12.859 3.163 -2.337
135 HG22 VAL 20 1HG2 VAL 20 14.112 4.346 -2.709
136 HG23 VAL 20 2HG2 VAL 20 13.039 4.601 -1.333
137 H CYS 21 H CYS 21 11.218 3.713 -5.534
138 HA CYS 21 HA CYS 21 11.539 0.886 -5.091
139 HB2 CYS 21 2HB CYS 21 9.737 0.330 -6.809
140 HB3 CYS 21 3HB CYS 21 9.178 0.799 -5.207
141 H VAL 22 H VAL 22 12.658 -0.114 -6.728
142 HA VAL 22 HA VAL 22 13.216 1.455 -9.149
143 HB VAL 22 HB VAL 22 15.203 0.374 -7.194
144 HG11 VAL 22 1HG1 VAL 22 16.907 0.694 -9.099
145 HG12 VAL 22 2HG1 VAL 22 15.971 -0.801 -9.053
146 HG13 VAL 22 3HG1 VAL 22 15.523 0.487 -10.172
147 HG21 VAL 22 3HG2 VAL 22 14.467 2.824 -7.441
148 HG22 VAL 22 1HG2 VAL 22 16.196 2.480 -7.372
149 HG23 VAL 22 2HG2 VAL 22 15.425 2.817 -8.922
150 H HIS 23 H HIS 23 13.415 0.289 -11.003
151 HA HIS 23 HA HIS 23 13.283 -2.645 -10.765
152 HB2 HIS 23 2HB HIS 23 11.098 -1.917 -11.421
153 HB3 HIS 23 3HB HIS 23 11.760 -0.830 -12.638
154 HD1 HIS 23 HD1 HIS 23 10.359 -2.005 -14.481
155 HD2 HIS 23 HD2 HIS 23 13.102 -4.476 -12.575
156 HE1 HIS 23 HE1 HIS 23 10.509 -4.070 -15.908
157 H TYR 24 H TYR 24 15.085 -3.506 -11.538
158 HA TYR 24 HA TYR 24 16.514 -2.127 -13.700
159 HB2 TYR 24 2HB TYR 24 17.732 -2.659 -11.570
160 HB3 TYR 24 3HB TYR 24 17.522 -4.367 -11.938
161 HD1 TYR 24 HD2 TYR 24 18.441 -5.159 -14.244
162 HD2 TYR 24 HD1 TYR 24 19.623 -1.547 -12.331
163 HE1 TYR 24 HE2 TYR 24 20.499 -5.126 -15.591
164 HE2 TYR 24 HE1 TYR 24 21.683 -1.503 -13.674
165 HH TYR 24 HH TYR 24 22.968 -2.631 -15.113
166 H LYS 25 H LYS 25 16.161 -2.851 -15.681
167 HA LYS 25 HA LYS 25 15.803 -5.746 -16.084
168 HB2 LYS 25 2HB LYS 25 13.721 -4.170 -16.345
169 HB3 LYS 25 3HB LYS 25 14.463 -3.765 -17.887
170 HG2 LYS 25 2HG LYS 25 14.489 -6.208 -18.420
171 HG3 LYS 25 3HG LYS 25 13.537 -6.471 -16.957
172 HD2 LYS 25 2HD LYS 25 11.961 -6.355 -18.698
173 HD3 LYS 25 3HD LYS 25 11.896 -4.772 -17.918
174 HE2 LYS 25 2HE LYS 25 13.591 -4.039 -19.690
175 HE3 LYS 25 3HE LYS 25 13.164 -5.527 -20.534
176 HZ1 LYS 25 3HZ LYS 25 11.786 -3.079 -20.499
177 HZ2 LYS 25 1HZ LYS 25 10.791 -4.262 -19.811
178 HZ3 LYS 25 2HZ LYS 25 11.417 -4.484 -21.366
179 H SER 26 H SER 26 17.464 -6.514 -17.196
180 HA SER 26 HA SER 26 18.493 -4.948 -19.459
181 HB2 SER 26 2HB SER 26 20.077 -6.182 -17.215
182 HB3 SER 26 3HB SER 26 20.803 -5.899 -18.796
183 HG SER 26 HG SER 26 21.195 -4.039 -17.794
184 H GLU 27 H GLU 27 19.695 -6.257 -21.031
185 HA GLU 27 HA GLU 27 18.309 -8.704 -21.570
186 HB2 GLU 27 2HB GLU 27 19.600 -8.771 -23.620
187 HB3 GLU 27 3HB GLU 27 18.995 -7.141 -23.357
188 HG2 GLU 27 2HG GLU 27 21.339 -6.804 -22.224
189 HG3 GLU 27 3HG GLU 27 21.778 -8.176 -23.240
190 H ASP 28 H ASP 28 21.089 -7.906 -19.814
191 HA ASP 28 HA ASP 28 22.215 -10.603 -20.096
192 HB2 ASP 28 2HB ASP 28 23.517 -8.244 -20.170
193 HB3 ASP 28 3HB ASP 28 23.611 -8.577 -18.443
194 H GLU 29 H GLU 29 20.560 -8.503 -17.905
195 HA GLU 29 HA GLU 29 20.151 -10.663 -16.054
196 HB2 GLU 29 2HB GLU 29 21.151 -9.690 -14.120
197 HB3 GLU 29 3HB GLU 29 22.377 -9.709 -15.380
198 HG2 GLU 29 2HG GLU 29 21.495 -7.280 -15.831
199 HG3 GLU 29 3HG GLU 29 20.943 -7.408 -14.162
200 H GLU 30 H GLU 30 18.725 -9.971 -14.216
201 HA GLU 30 HA GLU 30 17.278 -7.496 -14.545
202 HB2 GLU 30 2HB GLU 30 16.198 -8.886 -16.242
203 HB3 GLU 30 3HB GLU 30 15.902 -10.141 -15.047
204 HG2 GLU 30 2HG GLU 30 14.422 -8.655 -13.823
205 HG3 GLU 30 3HG GLU 30 14.746 -7.363 -14.977
206 H TYR 31 H TYR 31 16.769 -6.791 -12.586
207 HA TYR 31 HA TYR 31 15.777 -8.576 -10.547
208 HB2 TYR 31 2HB TYR 31 17.490 -8.039 -8.889
209 HB3 TYR 31 3HB TYR 31 18.212 -8.829 -10.286
210 HD1 TYR 31 HD2 TYR 31 17.688 -5.521 -8.690
211 HD2 TYR 31 HD1 TYR 31 19.938 -7.788 -11.500
212 HE1 TYR 31 HE2 TYR 31 19.273 -3.654 -8.918
213 HE2 TYR 31 HE1 TYR 31 21.531 -5.928 -11.734
214 HH TYR 31 HH TYR 31 22.180 -3.946 -10.911
215 H LYS 32 H LYS 32 15.131 -7.387 -8.574
216 HA LYS 32 HA LYS 32 14.757 -4.510 -8.989
217 HB2 LYS 32 2HB LYS 32 12.545 -6.450 -8.288
218 HB3 LYS 32 3HB LYS 32 12.390 -4.698 -8.287
219 HG2 LYS 32 2HG LYS 32 12.001 -4.655 -10.469
220 HG3 LYS 32 3HG LYS 32 13.421 -5.646 -10.808
221 HD2 LYS 32 2HD LYS 32 12.227 -7.583 -10.852
222 HD3 LYS 32 3HD LYS 32 11.064 -7.019 -9.650
223 HE2 LYS 32 2HE LYS 32 9.645 -6.717 -11.341
224 HE3 LYS 32 3HE LYS 32 10.648 -5.346 -11.814
225 HZ1 LYS 32 3HZ LYS 32 11.970 -6.917 -13.174
226 HZ2 LYS 32 1HZ LYS 32 10.366 -6.765 -13.691
227 HZ3 LYS 32 2HZ LYS 32 10.848 -8.132 -12.818
228 H SER 33 H SER 33 15.007 -3.325 -7.185
229 HA SER 33 HA SER 33 14.473 -4.294 -4.563
230 HB2 SER 33 2HB SER 33 17.278 -4.382 -5.593
231 HB3 SER 33 3HB SER 33 17.011 -3.915 -3.914
232 HG SER 33 HG SER 33 17.311 -6.228 -4.345
233 H CYS 34 H CYS 34 14.494 -2.663 -3.030
234 HA CYS 34 HA CYS 34 15.782 -0.198 -3.234
235 HB2 CYS 34 2HB CYS 34 13.806 -0.324 -5.133
236 HB3 CYS 34 3HB CYS 34 12.970 0.447 -3.789
237 H GLY 35 H GLY 35 14.030 1.544 -2.055
238 HA2 GLY 35 2HA GLY 35 12.327 0.617 -0.084
239 HA3 GLY 35 3HA GLY 35 13.939 0.544 0.611
240 H ILE 36 H ILE 36 15.214 2.574 0.551
241 HA ILE 36 HA ILE 36 13.434 4.890 0.936
242 HB ILE 36 HB ILE 36 15.483 5.754 2.289
243 HG12 ILE 36 2HG1 ILE 36 15.928 2.763 2.417
244 HG13 ILE 36 3HG1 ILE 36 16.988 3.914 1.610
245 HG21 ILE 36 1HG2 ILE 36 14.414 3.740 4.007
246 HG22 ILE 36 2HG2 ILE 36 14.050 5.464 3.956
247 HG23 ILE 36 3HG2 ILE 36 13.136 4.340 2.950
248 HD11 ILE 36 3HD1 ILE 36 16.686 3.292 4.467
249 HD12 ILE 36 1HD1 ILE 36 18.106 3.802 3.553
250 HD13 ILE 36 2HD1 ILE 36 16.911 4.994 4.066
251 H GLN 37 H GLN 37 13.926 6.834 0.000
252 HA GLN 37 HA GLN 37 15.226 6.914 -2.427
253 HB2 GLN 37 2HB GLN 37 13.645 8.634 -1.639
254 HB3 GLN 37 3HB GLN 37 14.853 9.215 -0.502
255 HG2 GLN 37 2HG GLN 37 14.744 10.633 -2.466
256 HG3 GLN 37 3HG GLN 37 16.312 9.836 -2.346
257 HE21 GLN 37 1HE2 GLN 37 13.218 8.599 -3.521
258 HE22 GLN 37 2HE2 GLN 37 13.765 8.245 -5.121
259 H GLU 38 H GLU 38 16.558 7.194 0.768
260 HA GLU 38 HA GLU 38 19.030 8.390 0.046
261 HB2 GLU 38 2HB GLU 38 18.213 6.734 2.434
262 HB3 GLU 38 3HB GLU 38 19.796 7.480 2.270
263 HG2 GLU 38 2HG GLU 38 18.744 9.072 3.498
264 HG3 GLU 38 3HG GLU 38 18.364 9.650 1.876
265 H GLU 39 H GLU 39 17.935 5.050 0.367
266 HA GLU 39 HA GLU 39 20.563 4.003 -0.263
267 HB2 GLU 39 2HB GLU 39 19.757 1.937 0.343
268 HB3 GLU 39 3HB GLU 39 18.701 2.977 1.287
269 HG2 GLU 39 2HG GLU 39 17.150 1.589 0.395
270 HG3 GLU 39 3HG GLU 39 17.193 2.814 -0.872
271 H CYS 40 H CYS 40 17.628 4.800 -1.904
272 HA CYS 40 HA CYS 40 18.199 3.204 -4.240
273 HB2 CYS 40 2HB CYS 40 15.977 4.781 -3.240
274 HB3 CYS 40 3HB CYS 40 16.290 5.119 -4.939
275 H GLU 41 H GLU 41 18.586 6.540 -3.216
276 HA GLU 41 HA GLU 41 19.224 7.637 -5.737
277 HB2 GLU 41 2HB GLU 41 18.597 9.002 -3.784
278 HB3 GLU 41 3HB GLU 41 20.100 8.551 -2.991
279 HG2 GLU 41 2HG GLU 41 21.362 9.927 -4.281
280 HG3 GLU 41 3HG GLU 41 20.288 9.794 -5.672
281 H ASP 42 H ASP 42 20.996 5.661 -3.562
282 HA ASP 42 HA ASP 42 23.625 6.363 -4.014
283 HB2 ASP 42 2HB ASP 42 22.972 4.632 -2.416
284 HB3 ASP 42 3HB ASP 42 22.477 3.578 -3.738
285 H ALA 43 H ALA 43 21.391 4.725 -6.134
286 HA ALA 43 HA ALA 43 23.240 3.666 -7.976
287 HB1 ALA 43 1HB ALA 43 20.875 2.997 -7.872
288 HB2 ALA 43 2HB ALA 43 20.414 4.578 -8.503
289 HB3 ALA 43 3HB ALA 43 21.364 3.474 -9.498
290 H GLU 44 H GLU 44 24.829 5.156 -8.487
291 HA GLU 44 HA GLU 44 24.173 7.781 -9.457
292 HB2 GLU 44 2HB GLU 44 26.573 8.027 -9.824
293 HB3 GLU 44 3HB GLU 44 26.253 7.372 -8.224
294 HG2 GLU 44 2HG GLU 44 26.737 5.426 -10.395
295 HG3 GLU 44 3HG GLU 44 28.112 6.385 -9.852
296 H GLY 45 H GLY 45 24.406 8.567 -11.562
297 HA2 GLY 45 2HA GLY 45 24.822 8.384 -13.878
298 HA3 GLY 45 3HA GLY 45 24.934 6.640 -13.697
299 H ALA 46 H ALA 46 22.448 6.436 -12.183
300 HA ALA 46 HA ALA 46 20.538 6.985 -14.361
301 HB1 ALA 46 1HB ALA 46 19.313 4.947 -13.478
302 HB2 ALA 46 2HB ALA 46 20.834 4.648 -14.321
303 HB3 ALA 46 3HB ALA 46 20.776 4.590 -12.560
304 H THR 47 H THR 47 18.366 7.448 -13.760
305 HA THR 47 HA THR 47 18.187 8.785 -11.163
306 HB THR 47 HB THR 47 17.605 10.069 -13.212
307 HG1 THR 47 HG1 THR 47 16.516 11.020 -11.653
308 HG21 THR 47 3HG2 THR 47 16.596 8.175 -14.457
309 HG22 THR 47 1HG2 THR 47 15.558 9.599 -14.410
310 HG23 THR 47 2HG2 THR 47 15.218 8.225 -13.358
311 H VAL 48 H VAL 48 16.660 8.304 -9.636
312 HA VAL 48 HA VAL 48 15.228 5.768 -10.021
313 HB VAL 48 HB VAL 48 15.908 7.230 -7.464
314 HG11 VAL 48 1HG1 VAL 48 14.115 6.073 -6.725
315 HG12 VAL 48 2HG1 VAL 48 14.171 4.921 -8.061
316 HG13 VAL 48 3HG1 VAL 48 15.264 4.736 -6.688
317 HG21 VAL 48 3HG2 VAL 48 17.037 4.604 -7.722
318 HG22 VAL 48 1HG2 VAL 48 17.496 5.599 -9.104
319 HG23 VAL 48 2HG2 VAL 48 17.850 6.148 -7.465
320 H LEU 49 H LEU 49 13.130 5.866 -10.434
321 HA LEU 49 HA LEU 49 11.560 8.066 -9.268
322 HB2 LEU 49 2HB LEU 49 12.076 8.153 -11.806
323 HB3 LEU 49 3HB LEU 49 10.877 6.866 -11.924
324 HG LEU 49 HG LEU 49 9.483 8.695 -10.509
325 HD11 LEU 49 1HD1 LEU 49 11.008 10.460 -10.480
326 HD12 LEU 49 2HD1 LEU 49 9.911 10.864 -11.800
327 HD13 LEU 49 3HD1 LEU 49 11.501 10.186 -12.152
328 HD21 LEU 49 3HD2 LEU 49 8.720 9.448 -12.909
329 HD22 LEU 49 1HD2 LEU 49 8.407 7.812 -12.328
330 HD23 LEU 49 2HD2 LEU 49 9.760 8.116 -13.418
331 H CYS 50 H CYS 50 9.787 7.465 -8.188
332 HA CYS 50 HA CYS 50 8.796 4.716 -8.565
333 HB2 CYS 50 2HB CYS 50 10.100 5.093 -6.425
334 HB3 CYS 50 3HB CYS 50 8.814 6.188 -5.929
335 H CYS 51 H CYS 51 6.568 4.385 -8.330
336 HA CYS 51 HA CYS 51 4.972 6.815 -8.710
337 HB2 CYS 51 2HB CYS 51 3.893 4.047 -9.105
338 HB3 CYS 51 3HB CYS 51 3.448 5.543 -9.921
339 HA PRO 52 HA PRO 52 2.996 6.496 -4.801
340 HB2 PRO 52 2HB PRO 52 0.555 7.525 -5.392
341 HB3 PRO 52 3HB PRO 52 2.013 8.517 -5.279
342 HG2 PRO 52 2HG PRO 52 0.648 7.425 -7.709
343 HG3 PRO 52 3HG PRO 52 1.334 9.038 -7.441
344 HD2 PRO 52 2HD PRO 52 2.633 7.115 -8.836
345 HD3 PRO 52 3HD PRO 52 3.487 8.329 -7.862
346 H GLU 53 H GLU 53 1.958 4.719 -7.500
347 HA GLU 53 HA GLU 53 -0.206 3.374 -6.091
348 HB2 GLU 53 2HB GLU 53 0.609 3.694 -8.861
349 HB3 GLU 53 3HB GLU 53 0.257 2.015 -8.478
350 HG2 GLU 53 2HG GLU 53 -1.956 2.468 -7.938
351 HG3 GLU 53 3HG GLU 53 -1.649 4.190 -7.720
352 H ASP 54 H ASP 54 -0.139 0.834 -6.684
353 HA ASP 54 HA ASP 54 2.267 -0.138 -5.337
354 HB2 ASP 54 2HB ASP 54 0.886 -2.290 -5.197
355 HB3 ASP 54 3HB ASP 54 0.317 -0.913 -4.258
356 H LEU 55 H LEU 55 3.560 -1.778 -6.153
357 HA LEU 55 HA LEU 55 4.695 -2.936 -7.746
358 HB2 LEU 55 2HB LEU 55 1.956 -3.183 -8.982
359 HB3 LEU 55 3HB LEU 55 3.371 -4.134 -9.432
360 HG LEU 55 HG LEU 55 1.860 -4.232 -6.824
361 HD11 LEU 55 1HD1 LEU 55 2.378 -6.519 -8.677
362 HD12 LEU 55 2HD1 LEU 55 1.046 -5.406 -8.986
363 HD13 LEU 55 3HD1 LEU 55 1.102 -6.315 -7.476
364 HD21 LEU 55 3HD2 LEU 55 4.431 -5.579 -7.637
365 HD22 LEU 55 1HD2 LEU 55 3.454 -6.055 -6.248
366 HD23 LEU 55 2HD2 LEU 55 4.188 -4.452 -6.302
367 H CYS 56 H CYS 56 5.391 -0.552 -8.125
368 HA CYS 56 HA CYS 56 4.693 0.310 -10.842
369 HB2 CYS 56 2HB CYS 56 4.474 2.016 -9.103
370 HB3 CYS 56 3HB CYS 56 6.154 1.774 -8.633
371 H ASN 57 H ASN 57 7.188 -1.145 -9.003
372 HA ASN 57 HA ASN 57 9.122 -0.696 -11.177
373 HB2 ASN 57 2HB ASN 57 10.887 -1.095 -9.602
374 HB3 ASN 57 3HB ASN 57 9.779 0.063 -8.871
375 HD21 ASN 57 1HD2 ASN 57 11.615 -2.499 -8.199
376 HD22 ASN 57 2HD2 ASN 57 10.729 -3.190 -6.886
Start of MODEL 14
1 H1 LEU 1 H LEU 1 1.370 -0.005 0.724
2 HA LEU 1 HA LEU 1 1.353 0.072 -2.191
3 HB2 LEU 1 2HB LEU 1 2.688 1.523 -0.243
4 HB3 LEU 1 3HB LEU 1 3.929 0.468 -0.916
5 HG LEU 1 HG LEU 1 3.853 2.698 -1.978
6 HD11 LEU 1 1HD1 LEU 1 4.147 1.923 -4.176
7 HD12 LEU 1 2HD1 LEU 1 3.011 0.594 -3.950
8 HD13 LEU 1 3HD1 LEU 1 4.578 0.561 -3.142
9 HD21 LEU 1 3HD2 LEU 1 1.358 2.931 -1.758
10 HD22 LEU 1 1HD2 LEU 1 1.210 1.834 -3.131
11 HD23 LEU 1 2HD2 LEU 1 2.025 3.386 -3.327
12 H GLN 2 H GLN 2 2.581 -1.261 -3.494
13 HA GLN 2 HA GLN 2 3.921 -3.526 -2.180
14 HB2 GLN 2 2HB GLN 2 1.790 -3.564 -4.274
15 HB3 GLN 2 3HB GLN 2 3.031 -4.810 -4.306
16 HG2 GLN 2 2HG GLN 2 2.457 -5.363 -1.957
17 HG3 GLN 2 3HG GLN 2 1.129 -4.208 -2.056
18 HE21 GLN 2 1HE2 GLN 2 2.402 -6.723 -4.214
19 HE22 GLN 2 2HE2 GLN 2 0.892 -7.532 -4.441
20 H CYS 3 H CYS 3 5.663 -4.444 -3.310
21 HA CYS 3 HA CYS 3 6.575 -2.976 -5.688
22 HB2 CYS 3 2HB CYS 3 8.489 -3.821 -3.524
23 HB3 CYS 3 3HB CYS 3 8.752 -2.679 -4.837
24 H ASN 4 H ASN 4 7.794 -4.156 -7.161
25 HA ASN 4 HA ASN 4 7.315 -6.977 -7.159
26 HB2 ASN 4 2HB ASN 4 8.821 -5.153 -9.037
27 HB3 ASN 4 3HB ASN 4 8.673 -6.888 -9.303
28 HD21 ASN 4 1HD2 ASN 4 6.738 -3.985 -8.725
29 HD22 ASN 4 2HD2 ASN 4 5.404 -4.466 -9.711
30 H THR 5 H THR 5 9.065 -8.566 -7.586
31 HA THR 5 HA THR 5 11.529 -7.888 -6.117
32 HB THR 5 HB THR 5 11.569 -10.022 -5.059
33 HG1 THR 5 HG1 THR 5 10.592 -11.678 -5.932
34 HG21 THR 5 3HG2 THR 5 9.456 -10.032 -3.777
35 HG22 THR 5 1HG2 THR 5 8.768 -8.898 -4.939
36 HG23 THR 5 2HG2 THR 5 10.138 -8.414 -3.939
37 H LEU 6 H LEU 6 13.418 -9.098 -6.706
38 HA LEU 6 HA LEU 6 13.707 -9.435 -9.499
39 HB2 LEU 6 2HB LEU 6 15.947 -9.844 -9.087
40 HB3 LEU 6 3HB LEU 6 15.468 -8.825 -7.732
41 HG LEU 6 HG LEU 6 15.107 -11.218 -6.599
42 HD11 LEU 6 1HD1 LEU 6 16.891 -11.667 -8.921
43 HD12 LEU 6 2HD1 LEU 6 15.770 -12.767 -8.119
44 HD13 LEU 6 3HD1 LEU 6 17.339 -12.422 -7.391
45 HD21 LEU 6 3HD2 LEU 6 17.635 -9.612 -6.870
46 HD22 LEU 6 1HD2 LEU 6 17.485 -10.977 -5.764
47 HD23 LEU 6 2HD2 LEU 6 16.443 -9.567 -5.570
48 H ASP 7 H ASP 7 12.741 -11.563 -6.979
49 HA ASP 7 HA ASP 7 13.427 -14.005 -8.322
50 HB2 ASP 7 2HB ASP 7 12.804 -13.392 -5.743
51 HB3 ASP 7 3HB ASP 7 11.283 -14.085 -6.298
52 H GLY 8 H GLY 8 11.143 -11.692 -8.937
53 HA2 GLY 8 2HA GLY 8 9.623 -11.838 -10.744
54 HA3 GLY 8 3HA GLY 8 9.585 -13.583 -10.540
55 H GLY 9 H GLY 9 9.323 -12.627 -7.498
56 HA2 GLY 9 2HA GLY 9 6.404 -12.804 -7.572
57 HA3 GLY 9 3HA GLY 9 7.422 -13.042 -6.160
58 H THR 10 H THR 10 5.376 -11.589 -5.582
59 HA THR 10 HA THR 10 6.210 -8.772 -5.820
60 HB THR 10 HB THR 10 3.728 -8.435 -4.990
61 HG1 THR 10 HG1 THR 10 3.067 -10.527 -4.758
62 HG21 THR 10 3HG2 THR 10 3.027 -8.158 -7.272
63 HG22 THR 10 1HG2 THR 10 4.276 -9.264 -7.840
64 HG23 THR 10 2HG2 THR 10 4.726 -7.700 -7.159
65 H GLU 11 H GLU 11 6.305 -7.484 -3.994
66 HA GLU 11 HA GLU 11 5.989 -8.868 -1.413
67 HB2 GLU 11 2HB GLU 11 7.953 -7.710 -0.567
68 HB3 GLU 11 3HB GLU 11 8.371 -8.649 -1.994
69 HG2 GLU 11 2HG GLU 11 8.654 -6.771 -3.311
70 HG3 GLU 11 3HG GLU 11 7.675 -5.757 -2.252
71 H GLU 12 H GLU 12 5.266 -7.632 0.328
72 HA GLU 12 HA GLU 12 3.747 -5.278 -0.438
73 HB2 GLU 12 2HB GLU 12 3.870 -6.624 2.263
74 HB3 GLU 12 3HB GLU 12 2.653 -5.489 1.697
75 HG2 GLU 12 2HG GLU 12 1.428 -7.197 1.026
76 HG3 GLU 12 3HG GLU 12 2.675 -7.589 -0.158
77 H CYS 13 H CYS 13 4.589 -3.317 -0.291
78 HA CYS 13 HA CYS 13 6.907 -2.840 1.398
79 HB2 CYS 13 2HB CYS 13 5.486 -1.061 -0.594
80 HB3 CYS 13 3HB CYS 13 6.951 -0.621 0.276
81 H ILE 14 H ILE 14 6.677 -2.181 3.420
82 HA ILE 14 HA ILE 14 4.207 -1.293 4.498
83 HB ILE 14 HB ILE 14 6.969 -1.089 5.705
84 HG12 ILE 14 2HG1 ILE 14 4.853 -3.218 6.083
85 HG13 ILE 14 3HG1 ILE 14 6.280 -3.399 5.069
86 HG21 ILE 14 1HG2 ILE 14 4.271 -1.038 7.050
87 HG22 ILE 14 2HG2 ILE 14 5.844 -0.894 7.833
88 HG23 ILE 14 3HG2 ILE 14 5.279 0.377 6.750
89 HD11 ILE 14 3HD1 ILE 14 5.990 -3.595 7.967
90 HD12 ILE 14 1HD1 ILE 14 7.185 -4.316 6.889
91 HD13 ILE 14 2HD1 ILE 14 7.382 -2.651 7.438
92 HA PRO 15 HA PRO 15 4.444 2.999 3.456
93 HB2 PRO 15 2HB PRO 15 2.481 3.869 5.118
94 HB3 PRO 15 3HB PRO 15 2.152 2.996 3.616
95 HG2 PRO 15 2HG PRO 15 2.219 1.970 6.428
96 HG3 PRO 15 3HG PRO 15 1.057 1.616 5.135
97 HD2 PRO 15 2HD PRO 15 3.067 -0.076 5.790
98 HD3 PRO 15 3HD PRO 15 2.450 0.077 4.133
99 H GLY 16 H GLY 16 6.623 3.018 4.534
100 HA2 GLY 16 2HA GLY 16 6.969 5.145 6.211
101 HA3 GLY 16 3HA GLY 16 6.767 3.781 7.301
102 H ILE 17 H ILE 17 8.055 1.879 5.517
103 HA ILE 17 HA ILE 17 10.827 2.661 6.060
104 HB ILE 17 HB ILE 17 9.781 -0.077 5.341
105 HG12 ILE 17 2HG1 ILE 17 10.400 1.086 8.066
106 HG13 ILE 17 3HG1 ILE 17 8.792 0.718 7.449
107 HG21 ILE 17 1HG2 ILE 17 12.390 0.750 6.604
108 HG22 ILE 17 2HG2 ILE 17 11.909 -0.881 6.141
109 HG23 ILE 17 3HG2 ILE 17 12.178 0.343 4.901
110 HD11 ILE 17 3HD1 ILE 17 10.724 -1.006 8.717
111 HD12 ILE 17 1HD1 ILE 17 9.007 -1.264 8.411
112 HD13 ILE 17 2HD1 ILE 17 10.193 -1.653 7.165
113 H TYR 18 H TYR 18 8.692 1.615 3.474
114 HA TYR 18 HA TYR 18 10.850 2.186 1.550
115 HB2 TYR 18 2HB TYR 18 8.575 0.284 1.016
116 HB3 TYR 18 3HB TYR 18 10.076 0.465 0.116
117 HD1 TYR 18 HD2 TYR 18 12.196 0.257 1.956
118 HD2 TYR 18 HD1 TYR 18 8.451 -1.760 2.064
119 HE1 TYR 18 HE2 TYR 18 13.213 -1.548 3.282
120 HE2 TYR 18 HE1 TYR 18 9.457 -3.570 3.391
121 HH TYR 18 HH TYR 18 12.851 -3.425 4.420
122 H ASN 19 H ASN 19 10.460 4.010 0.500
123 HA ASN 19 HA ASN 19 7.669 4.679 -0.171
124 HB2 ASN 19 2HB ASN 19 8.690 7.099 -0.243
125 HB3 ASN 19 3HB ASN 19 8.221 6.383 1.296
126 HD21 ASN 19 1HD2 ASN 19 10.715 7.764 -0.501
127 HD22 ASN 19 2HD2 ASN 19 12.010 7.468 0.604
128 H VAL 20 H VAL 20 10.708 3.891 -1.363
129 HA VAL 20 HA VAL 20 10.076 5.066 -3.993
130 HB VAL 20 HB VAL 20 12.508 4.845 -4.500
131 HG11 VAL 20 1HG1 VAL 20 13.209 6.746 -2.984
132 HG12 VAL 20 2HG1 VAL 20 11.741 7.008 -3.928
133 HG13 VAL 20 3HG1 VAL 20 11.628 6.595 -2.217
134 HG21 VAL 20 3HG2 VAL 20 12.741 3.129 -2.540
135 HG22 VAL 20 1HG2 VAL 20 14.080 4.202 -2.946
136 HG23 VAL 20 2HG2 VAL 20 13.036 4.574 -1.574
137 H CYS 21 H CYS 21 11.229 3.750 -5.803
138 HA CYS 21 HA CYS 21 11.440 0.919 -5.368
139 HB2 CYS 21 2HB CYS 21 9.598 0.436 -7.085
140 HB3 CYS 21 3HB CYS 21 9.087 0.869 -5.457
141 H VAL 22 H VAL 22 12.592 -0.072 -6.960
142 HA VAL 22 HA VAL 22 13.148 1.474 -9.402
143 HB VAL 22 HB VAL 22 15.114 0.249 -7.502
144 HG11 VAL 22 1HG1 VAL 22 15.374 0.487 -10.473
145 HG12 VAL 22 2HG1 VAL 22 16.791 0.652 -9.435
146 HG13 VAL 22 3HG1 VAL 22 15.849 -0.839 -9.411
147 HG21 VAL 22 3HG2 VAL 22 14.473 2.719 -7.561
148 HG22 VAL 22 1HG2 VAL 22 16.193 2.331 -7.613
149 HG23 VAL 22 2HG2 VAL 22 15.346 2.788 -9.091
150 H HIS 23 H HIS 23 13.287 0.321 -11.270
151 HA HIS 23 HA HIS 23 13.043 -2.608 -11.063
152 HB2 HIS 23 2HB HIS 23 10.873 -1.683 -11.661
153 HB3 HIS 23 3HB HIS 23 11.597 -0.765 -12.979
154 HD1 HIS 23 HD1 HIS 23 9.784 -2.102 -14.449
155 HD2 HIS 23 HD2 HIS 23 12.892 -4.358 -12.863
156 HE1 HIS 23 HE1 HIS 23 9.790 -4.251 -15.756
157 H TYR 24 H TYR 24 14.832 -3.491 -11.848
158 HA TYR 24 HA TYR 24 16.239 -2.155 -14.051
159 HB2 TYR 24 2HB TYR 24 17.495 -2.683 -11.945
160 HB3 TYR 24 3HB TYR 24 17.244 -4.392 -12.281
161 HD1 TYR 24 HD1 TYR 24 18.098 -5.241 -14.590
162 HD2 TYR 24 HD2 TYR 24 19.389 -1.620 -12.767
163 HE1 TYR 24 HE1 TYR 24 20.125 -5.270 -15.982
164 HE2 TYR 24 HE2 TYR 24 21.419 -1.638 -14.155
165 HH TYR 24 HH TYR 24 22.689 -4.037 -15.524
166 H LYS 25 H LYS 25 15.828 -2.890 -16.016
167 HA LYS 25 HA LYS 25 15.417 -5.782 -16.384
168 HB2 LYS 25 2HB LYS 25 13.337 -4.247 -16.604
169 HB3 LYS 25 3HB LYS 25 14.062 -3.742 -18.125
170 HG2 LYS 25 2HG LYS 25 13.755 -6.652 -17.605
171 HG3 LYS 25 3HG LYS 25 12.321 -5.708 -18.015
172 HD2 LYS 25 2HD LYS 25 13.054 -5.264 -20.139
173 HD3 LYS 25 3HD LYS 25 14.757 -5.360 -19.687
174 HE2 LYS 25 2HE LYS 25 14.166 -7.887 -19.269
175 HE3 LYS 25 3HE LYS 25 12.844 -7.538 -20.383
176 HZ1 LYS 25 3HZ LYS 25 15.752 -7.290 -20.903
177 HZ2 LYS 25 1HZ LYS 25 14.570 -6.660 -21.937
178 HZ3 LYS 25 2HZ LYS 25 14.651 -8.326 -21.662
179 H SER 26 H SER 26 17.041 -6.589 -17.523
180 HA SER 26 HA SER 26 18.059 -5.055 -19.814
181 HB2 SER 26 2HB SER 26 19.651 -6.316 -17.592
182 HB3 SER 26 3HB SER 26 20.356 -6.072 -19.190
183 HG SER 26 HG SER 26 19.619 -3.809 -18.904
184 H GLU 27 H GLU 27 19.193 -6.394 -21.409
185 HA GLU 27 HA GLU 27 17.739 -8.808 -21.915
186 HB2 GLU 27 2HB GLU 27 19.105 -8.933 -23.966
187 HB3 GLU 27 3HB GLU 27 18.355 -7.357 -23.759
188 HG2 GLU 27 2HG GLU 27 20.406 -6.375 -23.079
189 HG3 GLU 27 3HG GLU 27 21.189 -7.950 -22.959
190 H ASP 28 H ASP 28 20.573 -8.075 -20.217
191 HA ASP 28 HA ASP 28 21.624 -10.800 -20.516
192 HB2 ASP 28 2HB ASP 28 22.986 -8.479 -20.628
193 HB3 ASP 28 3HB ASP 28 23.104 -8.800 -18.900
194 H GLU 29 H GLU 29 20.070 -8.654 -18.296
195 HA GLU 29 HA GLU 29 19.648 -10.798 -16.429
196 HB2 GLU 29 2HB GLU 29 20.703 -9.827 -14.516
197 HB3 GLU 29 3HB GLU 29 21.906 -9.912 -15.796
198 HG2 GLU 29 2HG GLU 29 21.224 -7.480 -16.295
199 HG3 GLU 29 3HG GLU 29 20.503 -7.517 -14.687
200 H GLU 30 H GLU 30 18.282 -10.062 -14.562
201 HA GLU 30 HA GLU 30 16.885 -7.556 -14.875
202 HB2 GLU 30 2HB GLU 30 15.740 -8.953 -16.535
203 HB3 GLU 30 3HB GLU 30 15.425 -10.169 -15.305
204 HG2 GLU 30 2HG GLU 30 13.921 -8.755 -14.156
205 HG3 GLU 30 3HG GLU 30 14.414 -7.350 -15.099
206 H TYR 31 H TYR 31 16.439 -6.823 -12.911
207 HA TYR 31 HA TYR 31 15.457 -8.570 -10.833
208 HB2 TYR 31 2HB TYR 31 17.221 -8.059 -9.222
209 HB3 TYR 31 3HB TYR 31 17.892 -8.874 -10.630
210 HD1 TYR 31 HD2 TYR 31 17.487 -5.551 -9.034
211 HD2 TYR 31 HD1 TYR 31 19.602 -7.873 -11.904
212 HE1 TYR 31 HE2 TYR 31 19.106 -3.720 -9.313
213 HE2 TYR 31 HE1 TYR 31 21.227 -6.049 -12.191
214 HH TYR 31 HH TYR 31 21.803 -3.988 -11.611
215 H LYS 32 H LYS 32 14.881 -7.352 -8.858
216 HA LYS 32 HA LYS 32 14.590 -4.467 -9.261
217 HB2 LYS 32 2HB LYS 32 12.299 -6.312 -8.560
218 HB3 LYS 32 3HB LYS 32 12.218 -4.556 -8.604
219 HG2 LYS 32 2HG LYS 32 12.368 -4.481 -10.921
220 HG3 LYS 32 3HG LYS 32 13.033 -6.112 -11.026
221 HD2 LYS 32 2HD LYS 32 10.644 -6.615 -9.854
222 HD3 LYS 32 3HD LYS 32 10.235 -5.213 -10.845
223 HE2 LYS 32 2HE LYS 32 9.848 -6.917 -12.331
224 HE3 LYS 32 3HE LYS 32 11.529 -6.536 -12.700
225 HZ1 LYS 32 3HZ LYS 32 12.096 -8.595 -12.175
226 HZ2 LYS 32 1HZ LYS 32 10.472 -8.980 -11.895
227 HZ3 LYS 32 2HZ LYS 32 11.442 -8.431 -10.623
228 H SER 33 H SER 33 14.847 -3.302 -7.441
229 HA SER 33 HA SER 33 14.285 -4.299 -4.833
230 HB2 SER 33 2HB SER 33 17.087 -4.419 -5.862
231 HB3 SER 33 3HB SER 33 16.831 -3.951 -4.181
232 HG SER 33 HG SER 33 16.519 -5.974 -3.763
233 H CYS 34 H CYS 34 14.295 -2.687 -3.288
234 HA CYS 34 HA CYS 34 15.622 -0.241 -3.434
235 HB2 CYS 34 2HB CYS 34 13.681 -0.310 -5.372
236 HB3 CYS 34 3HB CYS 34 12.834 0.458 -4.034
237 H GLY 35 H GLY 35 13.887 1.515 -2.260
238 HA2 GLY 35 2HA GLY 35 12.121 0.603 -0.342
239 HA3 GLY 35 3HA GLY 35 13.715 0.466 0.386
240 H ILE 36 H ILE 36 15.025 2.427 0.510
241 HA ILE 36 HA ILE 36 13.317 4.794 0.879
242 HB ILE 36 HB ILE 36 15.319 5.585 2.298
243 HG12 ILE 36 2HG1 ILE 36 15.847 2.605 2.268
244 HG13 ILE 36 3HG1 ILE 36 16.876 3.827 1.529
245 HG21 ILE 36 1HG2 ILE 36 12.986 4.577 2.976
246 HG22 ILE 36 2HG2 ILE 36 13.982 3.245 3.560
247 HG23 ILE 36 3HG2 ILE 36 14.234 4.874 4.186
248 HD11 ILE 36 3HD1 ILE 36 17.075 2.811 4.092
249 HD12 ILE 36 1HD1 ILE 36 17.897 4.234 3.452
250 HD13 ILE 36 2HD1 ILE 36 16.366 4.411 4.310
251 H GLN 37 H GLN 37 13.787 6.689 -0.110
252 HA GLN 37 HA GLN 37 15.200 6.776 -2.472
253 HB2 GLN 37 2HB GLN 37 13.528 8.462 -1.678
254 HB3 GLN 37 3HB GLN 37 14.771 9.130 -0.628
255 HG2 GLN 37 2HG GLN 37 15.216 10.498 -2.323
256 HG3 GLN 37 3HG GLN 37 16.025 9.111 -3.050
257 HE21 GLN 37 1HE2 GLN 37 14.536 7.654 -4.322
258 HE22 GLN 37 2HE2 GLN 37 13.373 8.430 -5.335
259 H GLU 38 H GLU 38 16.359 7.202 0.788
260 HA GLU 38 HA GLU 38 18.827 8.434 0.189
261 HB2 GLU 38 2HB GLU 38 17.932 8.430 2.448
262 HB3 GLU 38 3HB GLU 38 18.031 6.676 2.514
263 HG2 GLU 38 2HG GLU 38 19.838 7.892 3.733
264 HG3 GLU 38 3HG GLU 38 20.397 6.719 2.541
265 H GLU 39 H GLU 39 17.824 5.060 0.383
266 HA GLU 39 HA GLU 39 20.512 4.095 -0.100
267 HB2 GLU 39 2HB GLU 39 17.848 2.709 0.189
268 HB3 GLU 39 3HB GLU 39 19.332 1.850 -0.197
269 HG2 GLU 39 2HG GLU 39 19.357 3.625 2.173
270 HG3 GLU 39 3HG GLU 39 18.447 2.119 2.284
271 H CYS 40 H CYS 40 17.440 4.291 -1.851
272 HA CYS 40 HA CYS 40 18.220 2.942 -4.173
273 HB2 CYS 40 2HB CYS 40 15.999 4.569 -3.314
274 HB3 CYS 40 3HB CYS 40 16.448 4.982 -4.966
275 H GLU 41 H GLU 41 19.087 6.045 -2.990
276 HA GLU 41 HA GLU 41 19.742 7.264 -5.478
277 HB2 GLU 41 2HB GLU 41 19.721 8.016 -2.746
278 HB3 GLU 41 3HB GLU 41 21.350 8.299 -3.344
279 HG2 GLU 41 2HG GLU 41 20.302 9.553 -5.261
280 HG3 GLU 41 3HG GLU 41 18.778 9.451 -4.380
281 H ASP 42 H ASP 42 21.127 4.721 -3.824
282 HA ASP 42 HA ASP 42 23.854 5.061 -3.981
283 HB2 ASP 42 2HB ASP 42 22.019 2.774 -3.940
284 HB3 ASP 42 3HB ASP 42 23.557 2.431 -4.728
285 H ALA 43 H ALA 43 21.574 4.461 -6.555
286 HA ALA 43 HA ALA 43 23.474 3.742 -8.545
287 HB1 ALA 43 1HB ALA 43 20.976 3.304 -8.582
288 HB2 ALA 43 2HB ALA 43 20.790 4.987 -9.075
289 HB3 ALA 43 3HB ALA 43 21.699 3.867 -10.089
290 H GLU 44 H GLU 44 25.125 5.333 -8.304
291 HA GLU 44 HA GLU 44 24.689 8.105 -8.561
292 HB2 GLU 44 2HB GLU 44 27.141 8.173 -9.137
293 HB3 GLU 44 3HB GLU 44 26.749 7.378 -7.619
294 HG2 GLU 44 2HG GLU 44 27.071 5.221 -8.579
295 HG3 GLU 44 3HG GLU 44 27.224 5.906 -10.196
296 H GLY 45 H GLY 45 24.429 9.401 -10.282
297 HA2 GLY 45 2HA GLY 45 24.625 10.092 -12.514
298 HA3 GLY 45 3HA GLY 45 25.171 8.478 -12.943
299 H ALA 46 H ALA 46 22.676 7.649 -11.212
300 HA ALA 46 HA ALA 46 20.793 7.838 -13.469
301 HB1 ALA 46 1HB ALA 46 21.358 5.569 -13.130
302 HB2 ALA 46 2HB ALA 46 21.169 5.706 -11.381
303 HB3 ALA 46 3HB ALA 46 19.753 5.784 -12.429
304 H THR 47 H THR 47 18.492 7.901 -12.915
305 HA THR 47 HA THR 47 18.042 9.503 -10.488
306 HB THR 47 HB THR 47 16.393 9.393 -13.021
307 HG1 THR 47 HG1 THR 47 17.889 11.593 -12.033
308 HG21 THR 47 3HG2 THR 47 15.911 10.527 -10.356
309 HG22 THR 47 1HG2 THR 47 14.770 10.120 -11.637
310 HG23 THR 47 2HG2 THR 47 15.647 11.650 -11.690
311 H VAL 48 H VAL 48 16.431 8.984 -9.061
312 HA VAL 48 HA VAL 48 15.188 6.344 -9.442
313 HB VAL 48 HB VAL 48 15.565 7.841 -6.847
314 HG11 VAL 48 1HG1 VAL 48 15.229 4.923 -6.867
315 HG12 VAL 48 2HG1 VAL 48 14.528 6.142 -5.800
316 HG13 VAL 48 3HG1 VAL 48 13.815 5.840 -7.385
317 HG21 VAL 48 3HG2 VAL 48 17.270 5.872 -6.543
318 HG22 VAL 48 1HG2 VAL 48 17.312 5.915 -8.305
319 HG23 VAL 48 2HG2 VAL 48 17.747 7.350 -7.377
320 H LEU 49 H LEU 49 13.117 6.365 -9.985
321 HA LEU 49 HA LEU 49 11.380 8.453 -8.852
322 HB2 LEU 49 2HB LEU 49 12.033 8.671 -11.347
323 HB3 LEU 49 3HB LEU 49 10.921 7.325 -11.588
324 HG LEU 49 HG LEU 49 9.352 9.030 -10.183
325 HD11 LEU 49 1HD1 LEU 49 11.427 10.643 -11.591
326 HD12 LEU 49 2HD1 LEU 49 10.649 10.919 -10.033
327 HD13 LEU 49 3HD1 LEU 49 9.765 11.231 -11.526
328 HD21 LEU 49 3HD2 LEU 49 8.340 8.218 -12.040
329 HD22 LEU 49 1HD2 LEU 49 9.772 8.429 -13.049
330 HD23 LEU 49 2HD2 LEU 49 8.751 9.815 -12.667
331 H CYS 50 H CYS 50 9.553 7.741 -7.934
332 HA CYS 50 HA CYS 50 8.735 4.958 -8.453
333 HB2 CYS 50 2HB CYS 50 9.886 5.387 -6.207
334 HB3 CYS 50 3HB CYS 50 8.451 6.309 -5.773
335 H CYS 51 H CYS 51 6.510 4.511 -8.346
336 HA CYS 51 HA CYS 51 4.825 6.867 -8.785
337 HB2 CYS 51 2HB CYS 51 3.872 4.072 -9.261
338 HB3 CYS 51 3HB CYS 51 3.454 5.555 -10.112
339 HA PRO 52 HA PRO 52 2.675 6.410 -4.981
340 HB2 PRO 52 2HB PRO 52 0.242 7.393 -5.679
341 HB3 PRO 52 3HB PRO 52 1.667 8.417 -5.466
342 HG2 PRO 52 2HG PRO 52 0.460 7.351 -7.990
343 HG3 PRO 52 3HG PRO 52 1.090 8.973 -7.649
344 HD2 PRO 52 2HD PRO 52 2.511 7.117 -9.015
345 HD3 PRO 52 3HD PRO 52 3.279 8.328 -7.969
346 H GLU 53 H GLU 53 1.824 4.675 -7.773
347 HA GLU 53 HA GLU 53 -0.413 3.275 -6.574
348 HB2 GLU 53 2HB GLU 53 -0.689 2.198 -8.654
349 HB3 GLU 53 3HB GLU 53 -0.206 3.841 -9.049
350 HG2 GLU 53 2HG GLU 53 2.160 2.945 -9.229
351 HG3 GLU 53 3HG GLU 53 1.438 1.338 -9.187
352 H ASP 54 H ASP 54 -0.233 0.728 -7.097
353 HA ASP 54 HA ASP 54 2.093 -0.163 -5.545
354 HB2 ASP 54 2HB ASP 54 -0.255 -1.928 -6.121
355 HB3 ASP 54 3HB ASP 54 0.806 -1.903 -4.715
356 H LEU 55 H LEU 55 3.483 -1.708 -6.281
357 HA LEU 55 HA LEU 55 4.655 -2.954 -7.778
358 HB2 LEU 55 2HB LEU 55 1.915 -3.507 -8.906
359 HB3 LEU 55 3HB LEU 55 3.380 -4.413 -9.280
360 HG LEU 55 HG LEU 55 1.993 -4.283 -6.603
361 HD11 LEU 55 1HD1 LEU 55 1.529 -6.647 -7.007
362 HD12 LEU 55 2HD1 LEU 55 2.270 -6.523 -8.601
363 HD13 LEU 55 3HD1 LEU 55 0.795 -5.625 -8.243
364 HD21 LEU 55 3HD2 LEU 55 3.647 -6.128 -6.070
365 HD22 LEU 55 1HD2 LEU 55 4.297 -4.490 -6.147
366 HD23 LEU 55 2HD2 LEU 55 4.545 -5.602 -7.494
367 H CYS 56 H CYS 56 5.058 -0.497 -8.393
368 HA CYS 56 HA CYS 56 4.298 -0.028 -11.184
369 HB2 CYS 56 2HB CYS 56 3.937 1.823 -9.611
370 HB3 CYS 56 3HB CYS 56 5.646 1.806 -9.189
371 H ASN 57 H ASN 57 6.928 -1.036 -9.238
372 HA ASN 57 HA ASN 57 8.847 -0.547 -11.407
373 HB2 ASN 57 2HB ASN 57 10.591 -0.810 -9.808
374 HB3 ASN 57 3HB ASN 57 9.370 0.201 -9.040
375 HD21 ASN 57 1HD2 ASN 57 11.462 -2.105 -8.376
376 HD22 ASN 57 2HD2 ASN 57 10.623 -2.976 -7.142
Start of MODEL 15
1 H1 LEU 1 H LEU 1 1.317 0.614 0.606
2 HA LEU 1 HA LEU 1 1.153 0.285 -2.214
3 HB2 LEU 1 2HB LEU 1 2.680 1.786 -0.458
4 HB3 LEU 1 3HB LEU 1 3.841 0.680 -1.190
5 HG LEU 1 HG LEU 1 3.717 2.857 -2.342
6 HD11 LEU 1 1HD1 LEU 1 2.600 1.052 -4.372
7 HD12 LEU 1 2HD1 LEU 1 3.941 0.392 -3.436
8 HD13 LEU 1 3HD1 LEU 1 4.146 1.900 -4.327
9 HD21 LEU 1 3HD2 LEU 1 1.272 3.193 -1.902
10 HD22 LEU 1 1HD2 LEU 1 0.947 2.022 -3.180
11 HD23 LEU 1 2HD2 LEU 1 1.782 3.529 -3.557
12 H GLN 2 H GLN 2 2.411 -1.035 -3.575
13 HA GLN 2 HA GLN 2 3.689 -3.345 -2.279
14 HB2 GLN 2 2HB GLN 2 1.388 -3.306 -4.084
15 HB3 GLN 2 3HB GLN 2 2.673 -4.379 -4.624
16 HG2 GLN 2 2HG GLN 2 2.644 -5.393 -2.325
17 HG3 GLN 2 3HG GLN 2 1.181 -4.459 -2.019
18 HE21 GLN 2 1HE2 GLN 2 2.559 -6.713 -4.381
19 HE22 GLN 2 2HE2 GLN 2 1.085 -7.558 -4.693
20 H CYS 3 H CYS 3 5.376 -4.335 -3.450
21 HA CYS 3 HA CYS 3 6.315 -2.892 -5.829
22 HB2 CYS 3 2HB CYS 3 8.194 -3.733 -3.626
23 HB3 CYS 3 3HB CYS 3 8.528 -2.678 -4.996
24 H ASN 4 H ASN 4 7.624 -4.103 -7.246
25 HA ASN 4 HA ASN 4 7.048 -6.918 -7.234
26 HB2 ASN 4 2HB ASN 4 8.614 -5.157 -9.125
27 HB3 ASN 4 3HB ASN 4 8.396 -6.886 -9.376
28 HD21 ASN 4 1HD2 ASN 4 6.651 -3.854 -8.952
29 HD22 ASN 4 2HD2 ASN 4 5.272 -4.309 -9.888
30 H THR 5 H THR 5 8.751 -8.554 -7.603
31 HA THR 5 HA THR 5 11.228 -7.902 -6.145
32 HB THR 5 HB THR 5 11.219 -10.020 -5.054
33 HG1 THR 5 HG1 THR 5 10.394 -11.553 -6.289
34 HG21 THR 5 3HG2 THR 5 9.145 -9.948 -3.749
35 HG22 THR 5 1HG2 THR 5 8.420 -8.887 -4.956
36 HG23 THR 5 2HG2 THR 5 9.795 -8.329 -4.004
37 H LEU 6 H LEU 6 13.096 -9.147 -6.712
38 HA LEU 6 HA LEU 6 13.382 -9.542 -9.498
39 HB2 LEU 6 2HB LEU 6 15.616 -9.978 -9.076
40 HB3 LEU 6 3HB LEU 6 15.151 -8.924 -7.743
41 HG LEU 6 HG LEU 6 14.755 -11.276 -6.551
42 HD11 LEU 6 1HD1 LEU 6 17.195 -12.210 -7.709
43 HD12 LEU 6 2HD1 LEU 6 15.978 -12.023 -8.971
44 HD13 LEU 6 3HD1 LEU 6 15.642 -13.034 -7.565
45 HD21 LEU 6 3HD2 LEU 6 16.675 -10.843 -5.351
46 HD22 LEU 6 1HD2 LEU 6 16.355 -9.272 -6.084
47 HD23 LEU 6 2HD2 LEU 6 17.581 -10.334 -6.777
48 H ASP 7 H ASP 7 12.362 -11.600 -6.948
49 HA ASP 7 HA ASP 7 13.023 -14.082 -8.228
50 HB2 ASP 7 2HB ASP 7 12.677 -13.684 -5.719
51 HB3 ASP 7 3HB ASP 7 10.951 -13.715 -6.070
52 H GLY 8 H GLY 8 10.782 -11.746 -8.918
53 HA2 GLY 8 2HA GLY 8 9.274 -11.897 -10.730
54 HA3 GLY 8 3HA GLY 8 9.220 -13.640 -10.509
55 H GLY 9 H GLY 9 8.933 -12.653 -7.480
56 HA2 GLY 9 2HA GLY 9 6.012 -12.799 -7.586
57 HA3 GLY 9 3HA GLY 9 7.012 -13.045 -6.161
58 H THR 10 H THR 10 4.980 -11.564 -5.610
59 HA THR 10 HA THR 10 5.809 -8.754 -5.895
60 HB THR 10 HB THR 10 3.391 -8.351 -5.024
61 HG1 THR 10 HG1 THR 10 1.990 -10.099 -5.719
62 HG21 THR 10 3HG2 THR 10 3.808 -9.467 -7.799
63 HG22 THR 10 1HG2 THR 10 4.212 -7.825 -7.300
64 HG23 THR 10 2HG2 THR 10 2.532 -8.361 -7.291
65 H GLU 11 H GLU 11 5.971 -7.430 -4.099
66 HA GLU 11 HA GLU 11 5.740 -8.750 -1.477
67 HB2 GLU 11 2HB GLU 11 7.769 -7.620 -0.735
68 HB3 GLU 11 3HB GLU 11 8.103 -8.633 -2.132
69 HG2 GLU 11 2HG GLU 11 8.359 -6.808 -3.552
70 HG3 GLU 11 3HG GLU 11 7.524 -5.715 -2.449
71 H GLU 12 H GLU 12 5.117 -7.450 0.254
72 HA GLU 12 HA GLU 12 3.660 -5.058 -0.519
73 HB2 GLU 12 2HB GLU 12 2.817 -5.156 1.844
74 HB3 GLU 12 3HB GLU 12 2.450 -6.575 0.873
75 HG2 GLU 12 2HG GLU 12 4.223 -7.814 1.928
76 HG3 GLU 12 3HG GLU 12 4.734 -6.384 2.822
77 H CYS 13 H CYS 13 4.412 -3.067 -0.268
78 HA CYS 13 HA CYS 13 6.794 -2.665 1.400
79 HB2 CYS 13 2HB CYS 13 5.641 -1.129 -0.924
80 HB3 CYS 13 3HB CYS 13 6.892 -0.450 0.113
81 H ILE 14 H ILE 14 6.369 -1.976 3.387
82 HA ILE 14 HA ILE 14 3.939 -0.592 4.044
83 HB ILE 14 HB ILE 14 4.835 -0.511 6.334
84 HG12 ILE 14 2HG1 ILE 14 7.276 -1.811 5.103
85 HG13 ILE 14 3HG1 ILE 14 7.204 -0.192 5.790
86 HG21 ILE 14 1HG2 ILE 14 3.695 -2.542 5.328
87 HG22 ILE 14 2HG2 ILE 14 5.302 -3.254 5.198
88 HG23 ILE 14 3HG2 ILE 14 4.657 -2.818 6.780
89 HD11 ILE 14 3HD1 ILE 14 7.718 -1.009 7.773
90 HD12 ILE 14 1HD1 ILE 14 6.278 -2.025 7.746
91 HD13 ILE 14 2HD1 ILE 14 7.797 -2.630 7.083
92 HA PRO 15 HA PRO 15 5.333 3.549 3.507
93 HB2 PRO 15 2HB PRO 15 3.633 4.800 5.215
94 HB3 PRO 15 3HB PRO 15 3.121 4.153 3.652
95 HG2 PRO 15 2HG PRO 15 2.837 2.957 6.382
96 HG3 PRO 15 3HG PRO 15 1.658 3.018 5.059
97 HD2 PRO 15 2HD PRO 15 3.123 0.807 5.603
98 HD3 PRO 15 3HD PRO 15 2.612 1.233 3.957
99 H GLY 16 H GLY 16 7.409 2.908 4.597
100 HA2 GLY 16 2HA GLY 16 7.979 4.721 6.709
101 HA3 GLY 16 3HA GLY 16 7.891 3.077 7.323
102 H ILE 17 H ILE 17 9.198 1.460 5.953
103 HA ILE 17 HA ILE 17 11.882 2.572 5.699
104 HB ILE 17 HB ILE 17 10.982 -0.311 5.646
105 HG12 ILE 17 2HG1 ILE 17 10.635 0.956 7.810
106 HG13 ILE 17 3HG1 ILE 17 11.676 -0.459 7.923
107 HG21 ILE 17 1HG2 ILE 17 13.325 -0.866 5.907
108 HG22 ILE 17 2HG2 ILE 17 13.093 0.102 4.453
109 HG23 ILE 17 3HG2 ILE 17 13.754 0.844 5.909
110 HD11 ILE 17 3HD1 ILE 17 12.542 1.432 9.199
111 HD12 ILE 17 1HD1 ILE 17 13.639 0.958 7.902
112 HD13 ILE 17 2HD1 ILE 17 12.623 2.389 7.720
113 H TYR 18 H TYR 18 9.385 1.060 3.769
114 HA TYR 18 HA TYR 18 11.101 1.349 1.390
115 HB2 TYR 18 2HB TYR 18 8.687 -0.448 1.570
116 HB3 TYR 18 3HB TYR 18 9.974 -0.471 0.369
117 HD1 TYR 18 HD2 TYR 18 12.303 -0.251 2.318
118 HD2 TYR 18 HD1 TYR 18 8.822 -2.697 2.307
119 HE1 TYR 18 HE2 TYR 18 13.501 -1.951 3.630
120 HE2 TYR 18 HE1 TYR 18 10.010 -4.404 3.620
121 HH TYR 18 HH TYR 18 12.107 -4.292 5.315
122 H ASN 19 H ASN 19 10.555 3.463 0.906
123 HA ASN 19 HA ASN 19 7.721 3.967 0.285
124 HB2 ASN 19 2HB ASN 19 8.026 6.231 0.776
125 HB3 ASN 19 3HB ASN 19 9.012 5.429 1.995
126 HD21 ASN 19 1HD2 ASN 19 11.319 5.223 1.526
127 HD22 ASN 19 2HD2 ASN 19 12.098 6.484 0.638
128 H VAL 20 H VAL 20 10.758 3.432 -1.075
129 HA VAL 20 HA VAL 20 9.923 4.669 -3.618
130 HB VAL 20 HB VAL 20 12.338 4.627 -4.244
131 HG11 VAL 20 1HG1 VAL 20 11.796 6.751 -3.654
132 HG12 VAL 20 2HG1 VAL 20 11.192 6.274 -2.066
133 HG13 VAL 20 3HG1 VAL 20 12.929 6.406 -2.347
134 HG21 VAL 20 3HG2 VAL 20 12.736 2.858 -2.325
135 HG22 VAL 20 1HG2 VAL 20 14.009 3.970 -2.827
136 HG23 VAL 20 2HG2 VAL 20 13.064 4.307 -1.376
137 H CYS 21 H CYS 21 11.069 3.510 -5.538
138 HA CYS 21 HA CYS 21 11.402 0.661 -5.214
139 HB2 CYS 21 2HB CYS 21 9.612 0.191 -6.967
140 HB3 CYS 21 3HB CYS 21 9.041 0.598 -5.352
141 H VAL 22 H VAL 22 12.496 -0.286 -6.910
142 HA VAL 22 HA VAL 22 13.109 1.405 -9.233
143 HB VAL 22 HB VAL 22 15.060 0.154 -7.341
144 HG11 VAL 22 1HG1 VAL 22 15.837 -0.894 -9.259
145 HG12 VAL 22 2HG1 VAL 22 15.382 0.454 -10.302
146 HG13 VAL 22 3HG1 VAL 22 16.772 0.600 -9.227
147 HG21 VAL 22 3HG2 VAL 22 16.093 2.249 -7.359
148 HG22 VAL 22 1HG2 VAL 22 15.336 2.711 -8.883
149 HG23 VAL 22 2HG2 VAL 22 14.372 2.629 -7.409
150 H HIS 23 H HIS 23 13.272 0.345 -11.149
151 HA HIS 23 HA HIS 23 13.051 -2.593 -11.078
152 HB2 HIS 23 2HB HIS 23 10.913 -1.683 -11.738
153 HB3 HIS 23 3HB HIS 23 11.678 -0.642 -12.935
154 HD1 HIS 23 HD1 HIS 23 10.078 -1.803 -14.696
155 HD2 HIS 23 HD2 HIS 23 12.931 -4.282 -12.972
156 HE1 HIS 23 HE1 HIS 23 10.163 -3.848 -16.157
157 H TYR 24 H TYR 24 14.884 -3.440 -11.802
158 HA TYR 24 HA TYR 24 16.376 -2.031 -13.903
159 HB2 TYR 24 2HB TYR 24 17.554 -2.591 -11.768
160 HB3 TYR 24 3HB TYR 24 17.320 -4.296 -12.136
161 HD1 TYR 24 HD1 TYR 24 18.286 -5.136 -14.390
162 HD2 TYR 24 HD2 TYR 24 19.458 -1.493 -12.530
163 HE1 TYR 24 HE1 TYR 24 20.367 -5.143 -15.701
164 HE2 TYR 24 HE2 TYR 24 21.542 -1.489 -13.837
165 HH TYR 24 HH TYR 24 22.534 -4.222 -15.721
166 H LYS 25 H LYS 25 16.066 -2.722 -15.903
167 HA LYS 25 HA LYS 25 15.694 -5.608 -16.358
168 HB2 LYS 25 2HB LYS 25 13.577 -4.264 -16.629
169 HB3 LYS 25 3HB LYS 25 14.357 -3.427 -17.965
170 HG2 LYS 25 2HG LYS 25 14.684 -5.696 -19.027
171 HG3 LYS 25 3HG LYS 25 13.602 -6.329 -17.785
172 HD2 LYS 25 2HD LYS 25 12.170 -5.904 -19.567
173 HD3 LYS 25 3HD LYS 25 11.992 -4.465 -18.561
174 HE2 LYS 25 2HE LYS 25 13.491 -3.229 -19.985
175 HE3 LYS 25 3HE LYS 25 13.848 -4.675 -20.928
176 HZ1 LYS 25 3HZ LYS 25 11.642 -2.862 -21.143
177 HZ2 LYS 25 1HZ LYS 25 11.137 -4.474 -21.043
178 HZ3 LYS 25 2HZ LYS 25 12.215 -3.999 -22.257
179 H SER 26 H SER 26 17.377 -6.375 -17.437
180 HA SER 26 HA SER 26 18.495 -4.771 -19.633
181 HB2 SER 26 2HB SER 26 19.976 -6.110 -17.382
182 HB3 SER 26 3HB SER 26 20.757 -5.828 -18.937
183 HG SER 26 HG SER 26 21.162 -4.066 -17.641
184 H GLU 27 H GLU 27 19.702 -6.059 -21.218
185 HA GLU 27 HA GLU 27 18.265 -8.446 -21.878
186 HB2 GLU 27 2HB GLU 27 19.656 -8.492 -23.884
187 HB3 GLU 27 3HB GLU 27 19.012 -6.879 -23.610
188 HG2 GLU 27 2HG GLU 27 21.164 -6.366 -24.130
189 HG3 GLU 27 3HG GLU 27 21.303 -6.523 -22.379
190 H ASP 28 H ASP 28 21.016 -7.788 -20.021
191 HA ASP 28 HA ASP 28 22.074 -10.505 -20.368
192 HB2 ASP 28 2HB ASP 28 23.442 -8.181 -20.327
193 HB3 ASP 28 3HB ASP 28 23.484 -8.578 -18.611
194 H GLU 29 H GLU 29 20.424 -8.431 -18.148
195 HA GLU 29 HA GLU 29 19.904 -10.639 -16.383
196 HB2 GLU 29 2HB GLU 29 20.892 -9.780 -14.398
197 HB3 GLU 29 3HB GLU 29 22.145 -9.757 -15.632
198 HG2 GLU 29 2HG GLU 29 21.403 -7.308 -15.998
199 HG3 GLU 29 3HG GLU 29 20.661 -7.474 -14.407
200 H GLU 30 H GLU 30 18.455 -9.962 -14.556
201 HA GLU 30 HA GLU 30 17.085 -7.438 -14.849
202 HB2 GLU 30 2HB GLU 30 16.001 -8.761 -16.597
203 HB3 GLU 30 3HB GLU 30 15.648 -10.033 -15.435
204 HG2 GLU 30 2HG GLU 30 14.154 -8.585 -14.230
205 HG3 GLU 30 3HG GLU 30 14.584 -7.224 -15.264
206 H TYR 31 H TYR 31 16.561 -6.763 -12.883
207 HA TYR 31 HA TYR 31 15.479 -8.565 -10.905
208 HB2 TYR 31 2HB TYR 31 17.176 -8.113 -9.203
209 HB3 TYR 31 3HB TYR 31 17.896 -8.901 -10.602
210 HD1 TYR 31 HD1 TYR 31 17.444 -5.599 -8.967
211 HD2 TYR 31 HD2 TYR 31 19.686 -7.903 -11.754
212 HE1 TYR 31 HE1 TYR 31 19.095 -3.783 -9.132
213 HE2 TYR 31 HE2 TYR 31 21.344 -6.094 -11.926
214 HH TYR 31 HH TYR 31 21.214 -3.279 -9.838
215 H LYS 32 H LYS 32 14.836 -7.401 -8.914
216 HA LYS 32 HA LYS 32 14.577 -4.504 -9.245
217 HB2 LYS 32 2HB LYS 32 12.292 -6.437 -8.861
218 HB3 LYS 32 3HB LYS 32 12.153 -4.717 -8.520
219 HG2 LYS 32 2HG LYS 32 11.398 -4.666 -10.641
220 HG3 LYS 32 3HG LYS 32 13.122 -4.587 -11.011
221 HD2 LYS 32 2HD LYS 32 12.404 -6.280 -12.413
222 HD3 LYS 32 3HD LYS 32 12.971 -7.184 -11.008
223 HE2 LYS 32 2HE LYS 32 10.878 -8.116 -11.622
224 HE3 LYS 32 3HE LYS 32 10.599 -7.157 -10.170
225 HZ1 LYS 32 3HZ LYS 32 9.294 -6.947 -12.604
226 HZ2 LYS 32 1HZ LYS 32 10.242 -5.552 -12.465
227 HZ3 LYS 32 2HZ LYS 32 9.124 -5.938 -11.256
228 H SER 33 H SER 33 14.800 -3.399 -7.388
229 HA SER 33 HA SER 33 14.113 -4.439 -4.830
230 HB2 SER 33 2HB SER 33 16.936 -4.659 -5.763
231 HB3 SER 33 3HB SER 33 16.660 -4.169 -4.092
232 HG SER 33 HG SER 33 15.691 -6.077 -3.677
233 H CYS 34 H CYS 34 14.217 -2.880 -3.201
234 HA CYS 34 HA CYS 34 15.589 -0.455 -3.313
235 HB2 CYS 34 2HB CYS 34 13.605 -0.440 -5.208
236 HB3 CYS 34 3HB CYS 34 12.799 0.306 -3.831
237 H GLY 35 H GLY 35 13.930 1.300 -2.048
238 HA2 GLY 35 2HA GLY 35 12.178 0.395 -0.123
239 HA3 GLY 35 3HA GLY 35 13.777 0.164 0.567
240 H ILE 36 H ILE 36 15.175 2.064 0.728
241 HA ILE 36 HA ILE 36 13.575 4.469 1.271
242 HB ILE 36 HB ILE 36 15.762 5.124 2.537
243 HG12 ILE 36 2HG1 ILE 36 15.993 2.107 2.466
244 HG13 ILE 36 3HG1 ILE 36 17.091 3.231 1.672
245 HG21 ILE 36 1HG2 ILE 36 14.666 4.609 4.447
246 HG22 ILE 36 2HG2 ILE 36 13.364 4.226 3.323
247 HG23 ILE 36 3HG2 ILE 36 14.383 2.937 3.964
248 HD11 ILE 36 3HD1 ILE 36 17.632 4.168 3.912
249 HD12 ILE 36 1HD1 ILE 36 16.669 2.874 4.625
250 HD13 ILE 36 2HD1 ILE 36 18.110 2.486 3.686
251 H GLN 37 H GLN 37 13.949 6.334 0.226
252 HA GLN 37 HA GLN 37 15.266 6.468 -2.184
253 HB2 GLN 37 2HB GLN 37 13.612 8.127 -1.270
254 HB3 GLN 37 3HB GLN 37 14.916 8.807 -0.306
255 HG2 GLN 37 2HG GLN 37 15.298 10.163 -2.017
256 HG3 GLN 37 3HG GLN 37 15.969 8.761 -2.848
257 HE21 GLN 37 1HE2 GLN 37 14.282 7.384 -3.966
258 HE22 GLN 37 2HE2 GLN 37 13.057 8.228 -4.844
259 H GLU 38 H GLU 38 16.556 6.892 1.030
260 HA GLU 38 HA GLU 38 18.968 8.173 0.387
261 HB2 GLU 38 2HB GLU 38 18.080 6.427 2.657
262 HB3 GLU 38 3HB GLU 38 19.764 6.915 2.533
263 HG2 GLU 38 2HG GLU 38 18.938 8.560 3.880
264 HG3 GLU 38 3HG GLU 38 18.749 9.309 2.295
265 H GLU 39 H GLU 39 18.067 4.763 0.429
266 HA GLU 39 HA GLU 39 20.752 3.919 -0.264
267 HB2 GLU 39 2HB GLU 39 18.158 2.452 0.177
268 HB3 GLU 39 3HB GLU 39 19.592 1.641 -0.437
269 HG2 GLU 39 2HG GLU 39 20.816 2.348 1.585
270 HG3 GLU 39 3HG GLU 39 19.325 3.055 2.206
271 H CYS 40 H CYS 40 17.576 4.136 -1.805
272 HA CYS 40 HA CYS 40 18.281 2.935 -4.250
273 HB2 CYS 40 2HB CYS 40 16.022 4.407 -3.167
274 HB3 CYS 40 3HB CYS 40 16.316 4.821 -4.852
275 H GLU 41 H GLU 41 18.590 6.220 -3.058
276 HA GLU 41 HA GLU 41 19.315 7.336 -5.597
277 HB2 GLU 41 2HB GLU 41 18.281 8.605 -3.664
278 HB3 GLU 41 3HB GLU 41 19.849 8.518 -2.873
279 HG2 GLU 41 2HG GLU 41 20.814 10.009 -4.302
280 HG3 GLU 41 3HG GLU 41 19.733 9.602 -5.634
281 H ASP 42 H ASP 42 20.937 5.506 -3.254
282 HA ASP 42 HA ASP 42 23.515 6.487 -3.230
283 HB2 ASP 42 2HB ASP 42 22.567 4.483 -1.966
284 HB3 ASP 42 3HB ASP 42 22.890 3.542 -3.420
285 H ALA 43 H ALA 43 21.829 4.804 -5.776
286 HA ALA 43 HA ALA 43 24.068 4.076 -7.338
287 HB1 ALA 43 1HB ALA 43 22.457 3.831 -9.175
288 HB2 ALA 43 2HB ALA 43 21.887 3.069 -7.689
289 HB3 ALA 43 3HB ALA 43 21.228 4.626 -8.190
290 H GLU 44 H GLU 44 25.391 5.267 -8.542
291 HA GLU 44 HA GLU 44 24.787 8.097 -8.919
292 HB2 GLU 44 2HB GLU 44 26.974 7.519 -7.995
293 HB3 GLU 44 3HB GLU 44 27.327 6.531 -9.406
294 HG2 GLU 44 2HG GLU 44 28.466 8.656 -9.549
295 HG3 GLU 44 3HG GLU 44 27.254 8.520 -10.821
296 H GLY 45 H GLY 45 24.255 8.980 -10.822
297 HA2 GLY 45 2HA GLY 45 24.431 9.185 -13.195
298 HA3 GLY 45 3HA GLY 45 24.779 7.464 -13.284
299 H ALA 46 H ALA 46 22.870 6.111 -12.273
300 HA ALA 46 HA ALA 46 20.624 6.569 -13.959
301 HB1 ALA 46 1HB ALA 46 19.655 4.623 -12.601
302 HB2 ALA 46 2HB ALA 46 21.104 4.320 -13.561
303 HB3 ALA 46 3HB ALA 46 21.235 4.560 -11.818
304 H THR 47 H THR 47 18.419 6.859 -13.299
305 HA THR 47 HA THR 47 18.186 8.484 -10.854
306 HB THR 47 HB THR 47 17.710 9.683 -12.972
307 HG1 THR 47 HG1 THR 47 16.641 10.383 -11.107
308 HG21 THR 47 3HG2 THR 47 15.696 9.158 -14.238
309 HG22 THR 47 1HG2 THR 47 15.373 7.780 -13.187
310 HG23 THR 47 2HG2 THR 47 16.793 7.777 -14.233
311 H VAL 48 H VAL 48 16.581 8.082 -9.384
312 HA VAL 48 HA VAL 48 15.162 5.532 -9.716
313 HB VAL 48 HB VAL 48 15.710 7.118 -7.203
314 HG11 VAL 48 1HG1 VAL 48 13.979 4.813 -7.780
315 HG12 VAL 48 2HG1 VAL 48 15.030 4.633 -6.373
316 HG13 VAL 48 3HG1 VAL 48 13.906 5.990 -6.469
317 HG21 VAL 48 3HG2 VAL 48 17.309 5.268 -8.683
318 HG22 VAL 48 1HG2 VAL 48 17.693 6.121 -7.188
319 HG23 VAL 48 2HG2 VAL 48 16.883 4.555 -7.127
320 H LEU 49 H LEU 49 13.091 5.616 -10.252
321 HA LEU 49 HA LEU 49 11.465 7.862 -9.264
322 HB2 LEU 49 2HB LEU 49 12.146 7.757 -11.806
323 HB3 LEU 49 3HB LEU 49 10.832 6.585 -11.880
324 HG LEU 49 HG LEU 49 9.543 8.577 -10.650
325 HD11 LEU 49 1HD1 LEU 49 10.299 10.657 -12.012
326 HD12 LEU 49 2HD1 LEU 49 11.855 9.829 -12.068
327 HD13 LEU 49 3HD1 LEU 49 11.132 10.243 -10.513
328 HD21 LEU 49 3HD2 LEU 49 9.997 7.982 -13.542
329 HD22 LEU 49 1HD2 LEU 49 8.987 9.351 -13.076
330 HD23 LEU 49 2HD2 LEU 49 8.560 7.721 -12.552
331 H CYS 50 H CYS 50 9.584 7.324 -8.325
332 HA CYS 50 HA CYS 50 8.647 4.545 -8.610
333 HB2 CYS 50 2HB CYS 50 9.785 5.258 -6.372
334 HB3 CYS 50 3HB CYS 50 8.264 6.091 -6.067
335 H CYS 51 H CYS 51 6.412 4.204 -8.549
336 HA CYS 51 HA CYS 51 4.835 6.592 -9.189
337 HB2 CYS 51 2HB CYS 51 3.838 3.785 -9.542
338 HB3 CYS 51 3HB CYS 51 3.417 5.235 -10.447
339 HA PRO 52 HA PRO 52 2.537 6.435 -5.449
340 HB2 PRO 52 2HB PRO 52 0.150 7.414 -6.293
341 HB3 PRO 52 3HB PRO 52 1.589 8.423 -6.102
342 HG2 PRO 52 2HG PRO 52 0.441 7.210 -8.587
343 HG3 PRO 52 3HG PRO 52 1.095 8.839 -8.336
344 HD2 PRO 52 2HD PRO 52 2.518 6.866 -9.525
345 HD3 PRO 52 3HD PRO 52 3.279 8.131 -8.538
346 H GLU 53 H GLU 53 1.738 4.530 -8.144
347 HA GLU 53 HA GLU 53 -0.534 3.234 -6.868
348 HB2 GLU 53 2HB GLU 53 0.788 2.985 -9.554
349 HB3 GLU 53 3HB GLU 53 -0.342 1.761 -8.993
350 HG2 GLU 53 2HG GLU 53 -2.103 3.034 -9.448
351 HG3 GLU 53 3HG GLU 53 -1.387 4.445 -8.673
352 H ASP 54 H ASP 54 -0.402 0.668 -7.328
353 HA ASP 54 HA ASP 54 1.889 -0.215 -5.736
354 HB2 ASP 54 2HB ASP 54 0.490 -2.364 -5.591
355 HB3 ASP 54 3HB ASP 54 -0.121 -0.941 -4.753
356 H LEU 55 H LEU 55 3.255 -1.866 -6.369
357 HA LEU 55 HA LEU 55 4.512 -3.097 -7.809
358 HB2 LEU 55 2HB LEU 55 1.851 -3.498 -9.169
359 HB3 LEU 55 3HB LEU 55 3.309 -4.436 -9.487
360 HG LEU 55 HG LEU 55 1.664 -4.412 -6.961
361 HD11 LEU 55 1HD1 LEU 55 1.335 -6.771 -7.479
362 HD12 LEU 55 2HD1 LEU 55 2.291 -6.590 -8.950
363 HD13 LEU 55 3HD1 LEU 55 0.751 -5.746 -8.790
364 HD21 LEU 55 3HD2 LEU 55 3.274 -6.122 -6.161
365 HD22 LEU 55 1HD2 LEU 55 3.978 -4.513 -6.318
366 HD23 LEU 55 2HD2 LEU 55 4.309 -5.742 -7.539
367 H CYS 56 H CYS 56 5.191 -0.737 -8.319
368 HA CYS 56 HA CYS 56 4.614 -0.055 -11.112
369 HB2 CYS 56 2HB CYS 56 4.339 1.754 -9.492
370 HB3 CYS 56 3HB CYS 56 5.997 1.536 -8.941
371 H ASN 57 H ASN 57 7.034 -1.402 -9.099
372 HA ASN 57 HA ASN 57 9.047 -1.090 -11.225
373 HB2 ASN 57 2HB ASN 57 10.753 -1.366 -9.576
374 HB3 ASN 57 3HB ASN 57 9.603 -0.201 -8.926
375 HD21 ASN 57 1HD2 ASN 57 11.467 -2.687 -8.087
376 HD22 ASN 57 2HD2 ASN 57 10.553 -3.344 -6.776
Start of MODEL 16
1 H1 LEU 1 H LEU 1 0.912 -0.868 0.326
2 HA LEU 1 HA LEU 1 1.213 0.060 -2.388
3 HB2 LEU 1 2HB LEU 1 2.455 1.523 -0.383
4 HB3 LEU 1 3HB LEU 1 3.729 0.479 -1.011
5 HG LEU 1 HG LEU 1 3.663 2.719 -2.067
6 HD11 LEU 1 1HD1 LEU 1 4.271 0.395 -3.195
7 HD12 LEU 1 2HD1 LEU 1 4.311 1.914 -4.090
8 HD13 LEU 1 3HD1 LEU 1 2.920 0.841 -4.237
9 HD21 LEU 1 3HD2 LEU 1 1.151 2.894 -1.961
10 HD22 LEU 1 1HD2 LEU 1 1.097 1.810 -3.351
11 HD23 LEU 1 2HD2 LEU 1 1.886 3.382 -3.489
12 H GLN 2 H GLN 2 2.443 -1.308 -3.629
13 HA GLN 2 HA GLN 2 3.776 -3.534 -2.243
14 HB2 GLN 2 2HB GLN 2 1.728 -3.630 -4.425
15 HB3 GLN 2 3HB GLN 2 2.955 -4.887 -4.332
16 HG2 GLN 2 2HG GLN 2 2.142 -4.920 -1.796
17 HG3 GLN 2 3HG GLN 2 0.662 -4.334 -2.554
18 HE21 GLN 2 1HE2 GLN 2 0.771 -5.677 -4.961
19 HE22 GLN 2 2HE2 GLN 2 0.592 -7.371 -4.676
20 H CYS 3 H CYS 3 5.543 -4.472 -3.326
21 HA CYS 3 HA CYS 3 6.509 -3.029 -5.697
22 HB2 CYS 3 2HB CYS 3 8.368 -3.833 -3.469
23 HB3 CYS 3 3HB CYS 3 8.668 -2.717 -4.797
24 H ASN 4 H ASN 4 7.798 -4.219 -7.112
25 HA ASN 4 HA ASN 4 7.333 -7.050 -7.069
26 HB2 ASN 4 2HB ASN 4 8.847 -5.257 -8.972
27 HB3 ASN 4 3HB ASN 4 8.681 -6.994 -9.208
28 HD21 ASN 4 1HD2 ASN 4 6.814 -4.033 -8.758
29 HD22 ASN 4 2HD2 ASN 4 5.463 -4.529 -9.714
30 H THR 5 H THR 5 9.078 -8.638 -7.395
31 HA THR 5 HA THR 5 11.538 -7.886 -5.954
32 HB THR 5 HB THR 5 11.587 -9.960 -4.803
33 HG1 THR 5 HG1 THR 5 9.687 -10.703 -6.725
34 HG21 THR 5 3HG2 THR 5 10.048 -8.305 -3.841
35 HG22 THR 5 1HG2 THR 5 9.505 -9.952 -3.526
36 HG23 THR 5 2HG2 THR 5 8.725 -8.992 -4.783
37 H LEU 6 H LEU 6 13.446 -9.045 -6.520
38 HA LEU 6 HA LEU 6 13.721 -9.513 -9.296
39 HB2 LEU 6 2HB LEU 6 15.980 -9.850 -8.884
40 HB3 LEU 6 3HB LEU 6 15.481 -8.749 -7.602
41 HG LEU 6 HG LEU 6 15.195 -11.053 -6.289
42 HD11 LEU 6 1HD1 LEU 6 16.229 -12.819 -7.151
43 HD12 LEU 6 2HD1 LEU 6 17.679 -11.882 -7.506
44 HD13 LEU 6 3HD1 LEU 6 16.349 -11.919 -8.663
45 HD21 LEU 6 3HD2 LEU 6 17.622 -10.708 -5.561
46 HD22 LEU 6 1HD2 LEU 6 16.512 -9.350 -5.370
47 HD23 LEU 6 2HD2 LEU 6 17.648 -9.377 -6.719
48 H ASP 7 H ASP 7 12.807 -11.530 -6.680
49 HA ASP 7 HA ASP 7 13.584 -14.020 -7.875
50 HB2 ASP 7 2HB ASP 7 13.282 -13.651 -5.403
51 HB3 ASP 7 3HB ASP 7 11.545 -13.578 -5.688
52 H GLY 8 H GLY 8 11.240 -11.816 -8.646
53 HA2 GLY 8 2HA GLY 8 9.753 -12.111 -10.464
54 HA3 GLY 8 3HA GLY 8 9.760 -13.841 -10.157
55 H GLY 9 H GLY 9 9.428 -12.713 -7.181
56 HA2 GLY 9 2HA GLY 9 6.510 -12.948 -7.294
57 HA3 GLY 9 3HA GLY 9 7.507 -13.126 -5.858
58 H THR 10 H THR 10 5.441 -11.674 -5.361
59 HA THR 10 HA THR 10 6.252 -8.859 -5.685
60 HB THR 10 HB THR 10 3.743 -8.538 -4.895
61 HG1 THR 10 HG1 THR 10 2.910 -10.507 -4.722
62 HG21 THR 10 3HG2 THR 10 4.482 -9.343 -7.711
63 HG22 THR 10 1HG2 THR 10 4.697 -7.738 -7.013
64 HG23 THR 10 2HG2 THR 10 3.074 -8.392 -7.240
65 H GLU 11 H GLU 11 6.299 -7.507 -3.902
66 HA GLU 11 HA GLU 11 5.995 -8.824 -1.283
67 HB2 GLU 11 2HB GLU 11 7.881 -7.531 -0.453
68 HB3 GLU 11 3HB GLU 11 8.367 -8.485 -1.847
69 HG2 GLU 11 2HG GLU 11 8.578 -6.638 -3.209
70 HG3 GLU 11 3HG GLU 11 7.504 -5.654 -2.216
71 H GLU 12 H GLU 12 5.167 -7.593 0.408
72 HA GLU 12 HA GLU 12 3.547 -5.335 -0.440
73 HB2 GLU 12 2HB GLU 12 3.676 -6.770 2.219
74 HB3 GLU 12 3HB GLU 12 2.507 -5.531 1.784
75 HG2 GLU 12 2HG GLU 12 1.407 -6.919 0.279
76 HG3 GLU 12 3HG GLU 12 2.769 -8.031 0.164
77 H CYS 13 H CYS 13 4.378 -3.362 -0.374
78 HA CYS 13 HA CYS 13 6.561 -2.740 1.445
79 HB2 CYS 13 2HB CYS 13 5.250 -0.992 -0.648
80 HB3 CYS 13 3HB CYS 13 6.760 -0.660 0.195
81 H ILE 14 H ILE 14 6.437 -1.422 3.181
82 HA ILE 14 HA ILE 14 3.770 -0.374 3.864
83 HB ILE 14 HB ILE 14 4.676 -0.372 6.240
84 HG12 ILE 14 2HG1 ILE 14 7.080 -0.780 5.208
85 HG13 ILE 14 3HG1 ILE 14 6.645 -1.433 6.783
86 HG21 ILE 14 1HG2 ILE 14 3.054 -1.976 5.753
87 HG22 ILE 14 2HG2 ILE 14 4.125 -2.866 4.672
88 HG23 ILE 14 3HG2 ILE 14 4.391 -2.916 6.415
89 HD11 ILE 14 3HD1 ILE 14 7.827 -2.920 5.000
90 HD12 ILE 14 1HD1 ILE 14 6.545 -3.585 6.012
91 HD13 ILE 14 2HD1 ILE 14 6.195 -3.092 4.355
92 HA PRO 15 HA PRO 15 5.352 3.730 3.702
93 HB2 PRO 15 2HB PRO 15 3.587 4.944 5.370
94 HB3 PRO 15 3HB PRO 15 3.160 4.417 3.737
95 HG2 PRO 15 2HG PRO 15 2.643 3.068 6.359
96 HG3 PRO 15 3HG PRO 15 1.561 3.261 4.968
97 HD2 PRO 15 2HD PRO 15 2.899 0.960 5.464
98 HD3 PRO 15 3HD PRO 15 2.520 1.508 3.819
99 H GLY 16 H GLY 16 7.349 3.763 4.674
100 HA2 GLY 16 2HA GLY 16 7.985 5.170 6.825
101 HA3 GLY 16 3HA GLY 16 7.524 3.655 7.587
102 H ILE 17 H ILE 17 8.542 1.855 5.702
103 HA ILE 17 HA ILE 17 11.426 2.262 6.110
104 HB ILE 17 HB ILE 17 10.036 -0.354 5.544
105 HG12 ILE 17 2HG1 ILE 17 10.848 0.827 8.209
106 HG13 ILE 17 3HG1 ILE 17 9.196 0.592 7.648
107 HG21 ILE 17 1HG2 ILE 17 12.735 0.158 6.774
108 HG22 ILE 17 2HG2 ILE 17 12.072 -1.380 6.224
109 HG23 ILE 17 3HG2 ILE 17 12.485 -0.129 5.052
110 HD11 ILE 17 3HD1 ILE 17 9.647 -1.848 7.555
111 HD12 ILE 17 1HD1 ILE 17 11.219 -1.536 8.291
112 HD13 ILE 17 2HD1 ILE 17 9.741 -1.155 9.174
113 H TYR 18 H TYR 18 8.974 1.554 3.724
114 HA TYR 18 HA TYR 18 11.014 1.846 1.625
115 HB2 TYR 18 2HB TYR 18 8.663 -0.031 1.387
116 HB3 TYR 18 3HB TYR 18 10.050 0.105 0.312
117 HD1 TYR 18 HD1 TYR 18 12.343 0.018 2.038
118 HD2 TYR 18 HD2 TYR 18 8.680 -2.121 2.368
119 HE1 TYR 18 HE1 TYR 18 13.497 -1.751 3.298
120 HE2 TYR 18 HE2 TYR 18 9.823 -3.896 3.630
121 HH TYR 18 HH TYR 18 12.828 -4.505 3.634
122 H ASN 19 H ASN 19 10.581 3.739 0.701
123 HA ASN 19 HA ASN 19 7.772 4.374 0.076
124 HB2 ASN 19 2HB ASN 19 8.134 6.639 0.514
125 HB3 ASN 19 3HB ASN 19 9.055 5.844 1.787
126 HD21 ASN 19 1HD2 ASN 19 11.369 5.543 1.387
127 HD22 ASN 19 2HD2 ASN 19 12.215 6.756 0.493
128 H VAL 20 H VAL 20 10.837 3.703 -1.157
129 HA VAL 20 HA VAL 20 10.130 4.883 -3.766
130 HB VAL 20 HB VAL 20 12.553 4.777 -4.307
131 HG11 VAL 20 1HG1 VAL 20 11.584 6.430 -1.999
132 HG12 VAL 20 2HG1 VAL 20 13.212 6.625 -2.651
133 HG13 VAL 20 3HG1 VAL 20 11.808 6.901 -3.683
134 HG21 VAL 20 3HG2 VAL 20 14.180 4.144 -2.799
135 HG22 VAL 20 1HG2 VAL 20 13.139 4.416 -1.401
136 HG23 VAL 20 2HG2 VAL 20 12.891 3.001 -2.423
137 H CYS 21 H CYS 21 11.163 3.645 -5.635
138 HA CYS 21 HA CYS 21 11.494 0.802 -5.220
139 HB2 CYS 21 2HB CYS 21 9.685 0.309 -6.959
140 HB3 CYS 21 3HB CYS 21 9.137 0.741 -5.343
141 H VAL 22 H VAL 22 12.605 -0.190 -6.865
142 HA VAL 22 HA VAL 22 13.186 1.398 -9.268
143 HB VAL 22 HB VAL 22 15.161 0.267 -7.326
144 HG11 VAL 22 1HG1 VAL 22 15.942 -0.872 -9.189
145 HG12 VAL 22 2HG1 VAL 22 15.467 0.413 -10.301
146 HG13 VAL 22 3HG1 VAL 22 16.860 0.632 -9.241
147 HG21 VAL 22 3HG2 VAL 22 14.441 2.729 -7.529
148 HG22 VAL 22 1HG2 VAL 22 16.166 2.368 -7.454
149 HG23 VAL 22 2HG2 VAL 22 15.410 2.742 -9.003
150 H HIS 23 H HIS 23 13.358 0.251 -11.133
151 HA HIS 23 HA HIS 23 13.214 -2.684 -10.927
152 HB2 HIS 23 2HB HIS 23 11.025 -1.955 -11.552
153 HB3 HIS 23 3HB HIS 23 11.671 -0.839 -12.752
154 HD1 HIS 23 HD1 HIS 23 10.252 -1.976 -14.604
155 HD2 HIS 23 HD2 HIS 23 13.024 -4.480 -12.787
156 HE1 HIS 23 HE1 HIS 23 10.392 -4.008 -16.080
157 H TYR 24 H TYR 24 14.989 -3.557 -11.747
158 HA TYR 24 HA TYR 24 16.415 -2.147 -13.890
159 HB2 TYR 24 2HB TYR 24 17.651 -2.745 -11.792
160 HB3 TYR 24 3HB TYR 24 17.402 -4.442 -12.186
161 HD1 TYR 24 HD1 TYR 24 18.306 -5.247 -14.472
162 HD2 TYR 24 HD2 TYR 24 19.527 -1.627 -12.600
163 HE1 TYR 24 HE1 TYR 24 20.348 -5.233 -15.844
164 HE2 TYR 24 HE2 TYR 24 21.571 -1.602 -13.968
165 HH TYR 24 HH TYR 24 22.990 -3.283 -15.186
166 H LYS 25 H LYS 25 16.018 -2.812 -15.883
167 HA LYS 25 HA LYS 25 15.601 -5.690 -16.353
168 HB2 LYS 25 2HB LYS 25 13.578 -4.005 -16.589
169 HB3 LYS 25 3HB LYS 25 14.324 -3.669 -18.146
170 HG2 LYS 25 2HG LYS 25 13.828 -6.500 -17.373
171 HG3 LYS 25 3HG LYS 25 12.471 -5.502 -17.901
172 HD2 LYS 25 2HD LYS 25 15.019 -5.741 -19.485
173 HD3 LYS 25 3HD LYS 25 13.661 -6.850 -19.696
174 HE2 LYS 25 2HE LYS 25 13.383 -3.860 -19.899
175 HE3 LYS 25 3HE LYS 25 13.763 -4.882 -21.285
176 HZ1 LYS 25 3HZ LYS 25 11.312 -4.958 -19.617
177 HZ2 LYS 25 1HZ LYS 25 11.695 -6.140 -20.765
178 HZ3 LYS 25 2HZ LYS 25 11.430 -4.542 -21.252
179 H SER 26 H SER 26 17.237 -6.480 -17.486
180 HA SER 26 HA SER 26 18.316 -4.888 -19.707
181 HB2 SER 26 2HB SER 26 19.850 -6.219 -17.487
182 HB3 SER 26 3HB SER 26 20.592 -5.951 -19.065
183 HG SER 26 HG SER 26 20.481 -3.804 -18.773
184 H GLU 27 H GLU 27 19.489 -6.196 -21.309
185 HA GLU 27 HA GLU 27 18.018 -8.574 -21.925
186 HB2 GLU 27 2HB GLU 27 20.494 -7.585 -23.333
187 HB3 GLU 27 3HB GLU 27 19.213 -8.595 -23.988
188 HG2 GLU 27 2HG GLU 27 17.654 -6.666 -23.695
189 HG3 GLU 27 3HG GLU 27 19.052 -5.681 -23.267
190 H ASP 28 H ASP 28 20.808 -7.930 -20.124
191 HA ASP 28 HA ASP 28 21.834 -10.659 -20.474
192 HB2 ASP 28 2HB ASP 28 23.227 -8.352 -20.480
193 HB3 ASP 28 3HB ASP 28 23.296 -8.731 -18.761
194 H GLU 29 H GLU 29 20.252 -8.553 -18.235
195 HA GLU 29 HA GLU 29 19.743 -10.742 -16.445
196 HB2 GLU 29 2HB GLU 29 20.786 -9.889 -14.489
197 HB3 GLU 29 3HB GLU 29 22.011 -9.879 -15.750
198 HG2 GLU 29 2HG GLU 29 21.372 -7.438 -16.113
199 HG3 GLU 29 3HG GLU 29 20.524 -7.560 -14.572
200 H GLU 30 H GLU 30 18.341 -10.036 -14.592
201 HA GLU 30 HA GLU 30 17.000 -7.495 -14.863
202 HB2 GLU 30 2HB GLU 30 15.810 -8.681 -16.578
203 HB3 GLU 30 3HB GLU 30 15.595 -10.081 -15.536
204 HG2 GLU 30 2HG GLU 30 14.095 -8.856 -14.113
205 HG3 GLU 30 3HG GLU 30 14.391 -7.373 -15.018
206 H TYR 31 H TYR 31 16.511 -6.817 -12.889
207 HA TYR 31 HA TYR 31 15.440 -8.610 -10.897
208 HB2 TYR 31 2HB TYR 31 17.166 -8.192 -9.224
209 HB3 TYR 31 3HB TYR 31 17.868 -8.960 -10.643
210 HD1 TYR 31 HD2 TYR 31 17.441 -5.685 -8.949
211 HD2 TYR 31 HD1 TYR 31 19.643 -7.944 -11.804
212 HE1 TYR 31 HE2 TYR 31 19.091 -3.867 -9.107
213 HE2 TYR 31 HE1 TYR 31 21.298 -6.133 -11.970
214 HH TYR 31 HH TYR 31 22.104 -4.247 -10.619
215 H LYS 32 H LYS 32 14.839 -7.443 -8.895
216 HA LYS 32 HA LYS 32 14.583 -4.544 -9.239
217 HB2 LYS 32 2HB LYS 32 12.285 -6.401 -8.591
218 HB3 LYS 32 3HB LYS 32 12.207 -4.644 -8.569
219 HG2 LYS 32 2HG LYS 32 12.341 -4.480 -10.877
220 HG3 LYS 32 3HG LYS 32 13.032 -6.095 -11.050
221 HD2 LYS 32 2HD LYS 32 10.723 -6.819 -9.998
222 HD3 LYS 32 3HD LYS 32 10.198 -5.266 -10.653
223 HE2 LYS 32 2HE LYS 32 10.531 -5.921 -12.831
224 HE3 LYS 32 3HE LYS 32 11.756 -7.112 -12.398
225 HZ1 LYS 32 3HZ LYS 32 9.992 -8.451 -12.902
226 HZ2 LYS 32 1HZ LYS 32 8.832 -7.352 -12.347
227 HZ3 LYS 32 2HZ LYS 32 9.737 -8.256 -11.241
228 H SER 33 H SER 33 14.868 -3.418 -7.403
229 HA SER 33 HA SER 33 14.278 -4.437 -4.811
230 HB2 SER 33 2HB SER 33 17.103 -4.553 -5.806
231 HB3 SER 33 3HB SER 33 16.795 -4.205 -4.105
232 HG SER 33 HG SER 33 16.957 -6.395 -4.265
233 H CYS 34 H CYS 34 14.326 -2.846 -3.243
234 HA CYS 34 HA CYS 34 15.713 -0.431 -3.355
235 HB2 CYS 34 2HB CYS 34 13.773 -0.427 -5.295
236 HB3 CYS 34 3HB CYS 34 12.942 0.342 -3.947
237 H GLY 35 H GLY 35 14.012 1.349 -2.161
238 HA2 GLY 35 2HA GLY 35 12.227 0.454 -0.256
239 HA3 GLY 35 3HA GLY 35 13.816 0.270 0.472
240 H ILE 36 H ILE 36 15.197 2.226 0.517
241 HA ILE 36 HA ILE 36 13.534 4.609 0.985
242 HB ILE 36 HB ILE 36 15.622 5.346 2.331
243 HG12 ILE 36 2HG1 ILE 36 16.021 2.346 2.278
244 HG13 ILE 36 3HG1 ILE 36 17.087 3.532 1.533
245 HG21 ILE 36 1HG2 ILE 36 13.246 4.131 3.001
246 HG22 ILE 36 2HG2 ILE 36 14.447 3.163 3.853
247 HG23 ILE 36 3HG2 ILE 36 14.366 4.904 4.123
248 HD11 ILE 36 3HD1 ILE 36 17.904 2.659 3.696
249 HD12 ILE 36 1HD1 ILE 36 17.697 4.410 3.673
250 HD13 ILE 36 2HD1 ILE 36 16.504 3.391 4.479
251 H GLN 37 H GLN 37 14.042 6.538 0.054
252 HA GLN 37 HA GLN 37 15.341 6.636 -2.375
253 HB2 GLN 37 2HB GLN 37 13.766 8.355 -1.407
254 HB3 GLN 37 3HB GLN 37 15.124 8.973 -0.477
255 HG2 GLN 37 2HG GLN 37 15.494 10.324 -2.199
256 HG3 GLN 37 3HG GLN 37 16.122 8.902 -3.031
257 HE21 GLN 37 1HE2 GLN 37 14.411 7.568 -4.143
258 HE22 GLN 37 2HE2 GLN 37 13.189 8.434 -5.003
259 H GLU 38 H GLU 38 16.676 6.842 0.822
260 HA GLU 38 HA GLU 38 19.156 8.033 0.136
261 HB2 GLU 38 2HB GLU 38 18.104 7.778 2.460
262 HB3 GLU 38 3HB GLU 38 18.735 6.137 2.437
263 HG2 GLU 38 2HG GLU 38 20.384 7.281 3.557
264 HG3 GLU 38 3HG GLU 38 20.996 7.270 1.904
265 H GLU 39 H GLU 39 18.029 4.697 0.317
266 HA GLU 39 HA GLU 39 20.651 3.648 -0.336
267 HB2 GLU 39 2HB GLU 39 17.969 2.378 0.177
268 HB3 GLU 39 3HB GLU 39 19.339 1.446 -0.411
269 HG2 GLU 39 2HG GLU 39 20.623 2.069 1.564
270 HG3 GLU 39 3HG GLU 39 19.263 3.024 2.151
271 H CYS 40 H CYS 40 17.706 4.496 -1.950
272 HA CYS 40 HA CYS 40 18.285 3.001 -4.346
273 HB2 CYS 40 2HB CYS 40 16.071 4.569 -3.299
274 HB3 CYS 40 3HB CYS 40 16.387 4.935 -4.992
275 H GLU 41 H GLU 41 18.705 6.284 -3.188
276 HA GLU 41 HA GLU 41 19.425 7.397 -5.713
277 HB2 GLU 41 2HB GLU 41 18.567 8.724 -3.780
278 HB3 GLU 41 3HB GLU 41 20.091 8.433 -2.954
279 HG2 GLU 41 2HG GLU 41 21.244 9.885 -4.261
280 HG3 GLU 41 3HG GLU 41 20.216 9.611 -5.667
281 H ASP 42 H ASP 42 21.044 5.423 -3.477
282 HA ASP 42 HA ASP 42 23.679 6.240 -3.590
283 HB2 ASP 42 2HB ASP 42 22.261 3.837 -2.894
284 HB3 ASP 42 3HB ASP 42 23.723 3.422 -3.785
285 H ALA 43 H ALA 43 21.741 4.724 -6.050
286 HA ALA 43 HA ALA 43 23.882 3.896 -7.733
287 HB1 ALA 43 1HB ALA 43 21.575 2.977 -7.837
288 HB2 ALA 43 2HB ALA 43 21.042 4.506 -8.537
289 HB3 ALA 43 3HB ALA 43 22.203 3.499 -9.401
290 H GLU 44 H GLU 44 25.235 5.781 -7.743
291 HA GLU 44 HA GLU 44 24.406 8.303 -8.680
292 HB2 GLU 44 2HB GLU 44 26.553 7.713 -7.434
293 HB3 GLU 44 3HB GLU 44 27.187 7.182 -8.985
294 HG2 GLU 44 2HG GLU 44 26.887 9.411 -9.896
295 HG3 GLU 44 3HG GLU 44 26.191 9.955 -8.371
296 H GLY 45 H GLY 45 24.132 9.125 -10.671
297 HA2 GLY 45 2HA GLY 45 24.692 9.277 -13.000
298 HA3 GLY 45 3HA GLY 45 25.094 7.566 -12.975
299 H ALA 46 H ALA 46 22.743 6.703 -11.582
300 HA ALA 46 HA ALA 46 20.844 6.891 -13.802
301 HB1 ALA 46 1HB ALA 46 21.314 4.651 -13.316
302 HB2 ALA 46 2HB ALA 46 21.210 4.914 -11.575
303 HB3 ALA 46 3HB ALA 46 19.748 4.947 -12.560
304 H THR 47 H THR 47 18.546 7.069 -13.339
305 HA THR 47 HA THR 47 18.054 8.826 -11.030
306 HB THR 47 HB THR 47 16.376 8.594 -13.532
307 HG1 THR 47 HG1 THR 47 18.475 10.390 -12.843
308 HG21 THR 47 3HG2 THR 47 15.313 9.459 -11.411
309 HG22 THR 47 1HG2 THR 47 15.278 10.567 -12.782
310 HG23 THR 47 2HG2 THR 47 16.449 10.805 -11.485
311 H VAL 48 H VAL 48 16.609 8.270 -9.511
312 HA VAL 48 HA VAL 48 15.182 5.728 -9.863
313 HB VAL 48 HB VAL 48 15.815 7.249 -7.331
314 HG11 VAL 48 1HG1 VAL 48 14.045 6.107 -6.548
315 HG12 VAL 48 2HG1 VAL 48 14.045 4.978 -7.905
316 HG13 VAL 48 3HG1 VAL 48 15.153 4.735 -6.554
317 HG21 VAL 48 3HG2 VAL 48 17.374 5.465 -8.909
318 HG22 VAL 48 1HG2 VAL 48 17.785 6.227 -7.372
319 HG23 VAL 48 2HG2 VAL 48 16.970 4.663 -7.391
320 H LEU 49 H LEU 49 13.096 5.824 -10.334
321 HA LEU 49 HA LEU 49 11.498 8.035 -9.231
322 HB2 LEU 49 2HB LEU 49 12.103 7.999 -11.798
323 HB3 LEU 49 3HB LEU 49 10.776 6.841 -11.860
324 HG LEU 49 HG LEU 49 9.552 8.812 -10.530
325 HD11 LEU 49 1HD1 LEU 49 11.344 10.359 -10.449
326 HD12 LEU 49 2HD1 LEU 49 10.216 10.955 -11.666
327 HD13 LEU 49 3HD1 LEU 49 11.700 10.142 -12.163
328 HD21 LEU 49 3HD2 LEU 49 8.914 9.651 -12.913
329 HD22 LEU 49 1HD2 LEU 49 8.492 8.013 -12.415
330 HD23 LEU 49 2HD2 LEU 49 9.893 8.286 -13.450
331 H CYS 50 H CYS 50 9.631 7.471 -8.272
332 HA CYS 50 HA CYS 50 8.706 4.692 -8.596
333 HB2 CYS 50 2HB CYS 50 9.881 5.340 -6.371
334 HB3 CYS 50 3HB CYS 50 8.387 6.200 -6.017
335 H CYS 51 H CYS 51 6.477 4.334 -8.509
336 HA CYS 51 HA CYS 51 4.870 6.724 -9.059
337 HB2 CYS 51 2HB CYS 51 3.866 3.932 -9.472
338 HB3 CYS 51 3HB CYS 51 3.463 5.403 -10.353
339 HA PRO 52 HA PRO 52 2.634 6.441 -5.290
340 HB2 PRO 52 2HB PRO 52 0.225 7.421 -6.068
341 HB3 PRO 52 3HB PRO 52 1.658 8.438 -5.872
342 HG2 PRO 52 2HG PRO 52 0.481 7.284 -8.372
343 HG3 PRO 52 3HG PRO 52 1.124 8.912 -8.085
344 HD2 PRO 52 2HD PRO 52 2.546 6.986 -9.351
345 HD3 PRO 52 3HD PRO 52 3.311 8.230 -8.342
346 H GLU 53 H GLU 53 1.841 4.583 -8.009
347 HA GLU 53 HA GLU 53 -0.422 3.247 -6.760
348 HB2 GLU 53 2HB GLU 53 0.912 3.056 -9.443
349 HB3 GLU 53 3HB GLU 53 -0.197 1.802 -8.906
350 HG2 GLU 53 2HG GLU 53 -1.989 3.058 -9.307
351 HG3 GLU 53 3HG GLU 53 -1.267 4.485 -8.566
352 H ASP 54 H ASP 54 -0.261 0.687 -7.262
353 HA ASP 54 HA ASP 54 2.051 -0.194 -5.692
354 HB2 ASP 54 2HB ASP 54 0.771 -1.997 -4.952
355 HB3 ASP 54 3HB ASP 54 -0.424 -0.710 -5.090
356 H LEU 55 H LEU 55 3.417 -1.824 -6.361
357 HA LEU 55 HA LEU 55 4.646 -3.049 -7.831
358 HB2 LEU 55 2HB LEU 55 1.951 -3.483 -9.112
359 HB3 LEU 55 3HB LEU 55 3.409 -4.406 -9.471
360 HG LEU 55 HG LEU 55 1.850 -4.389 -6.890
361 HD11 LEU 55 1HD1 LEU 55 2.459 -6.664 -8.764
362 HD12 LEU 55 2HD1 LEU 55 0.973 -5.717 -8.827
363 HD13 LEU 55 3HD1 LEU 55 1.357 -6.660 -7.387
364 HD21 LEU 55 3HD2 LEU 55 4.206 -4.476 -6.362
365 HD22 LEU 55 1HD2 LEU 55 4.460 -5.744 -7.562
366 HD23 LEU 55 2HD2 LEU 55 3.488 -6.070 -6.126
367 H CYS 56 H CYS 56 5.215 -0.630 -8.352
368 HA CYS 56 HA CYS 56 4.598 -0.013 -11.150
369 HB2 CYS 56 2HB CYS 56 4.263 1.803 -9.548
370 HB3 CYS 56 3HB CYS 56 5.935 1.661 -9.014
371 H ASN 57 H ASN 57 7.086 -1.230 -9.135
372 HA ASN 57 HA ASN 57 9.101 -0.805 -11.233
373 HB2 ASN 57 2HB ASN 57 10.783 -1.220 -9.555
374 HB3 ASN 57 3HB ASN 57 9.647 -0.035 -8.916
375 HD21 ASN 57 1HD2 ASN 57 11.417 -2.572 -8.057
376 HD22 ASN 57 2HD2 ASN 57 10.439 -3.238 -6.798
Start of MODEL 17
1 H1 LEU 1 H LEU 1 2.151 -0.365 0.992
2 HA LEU 1 HA LEU 1 1.137 -0.452 -1.749
3 HB2 LEU 1 2HB LEU 1 2.789 1.308 -0.609
4 HB3 LEU 1 3HB LEU 1 3.983 0.141 -1.174
5 HG LEU 1 HG LEU 1 2.854 0.409 -3.471
6 HD11 LEU 1 1HD1 LEU 1 0.918 1.579 -3.201
7 HD12 LEU 1 2HD1 LEU 1 2.018 2.912 -3.551
8 HD13 LEU 1 3HD1 LEU 1 1.561 2.561 -1.884
9 HD21 LEU 1 3HD2 LEU 1 4.974 1.244 -3.451
10 HD22 LEU 1 1HD2 LEU 1 4.672 2.288 -2.062
11 HD23 LEU 1 2HD2 LEU 1 4.080 2.750 -3.658
12 H GLN 2 H GLN 2 2.695 -1.455 -3.383
13 HA GLN 2 HA GLN 2 3.917 -3.904 -2.313
14 HB2 GLN 2 2HB GLN 2 1.746 -3.648 -4.323
15 HB3 GLN 2 3HB GLN 2 2.992 -4.846 -4.647
16 HG2 GLN 2 2HG GLN 2 2.561 -5.809 -2.395
17 HG3 GLN 2 3HG GLN 2 1.210 -4.689 -2.230
18 HE21 GLN 2 1HE2 GLN 2 2.383 -6.682 -4.918
19 HE22 GLN 2 2HE2 GLN 2 0.890 -7.511 -5.181
20 H CYS 3 H CYS 3 5.622 -4.773 -3.551
21 HA CYS 3 HA CYS 3 6.595 -3.115 -5.768
22 HB2 CYS 3 2HB CYS 3 8.473 -4.126 -3.643
23 HB3 CYS 3 3HB CYS 3 8.768 -2.903 -4.875
24 H ASN 4 H ASN 4 7.739 -4.201 -7.343
25 HA ASN 4 HA ASN 4 7.304 -7.032 -7.478
26 HB2 ASN 4 2HB ASN 4 8.720 -5.110 -9.334
27 HB3 ASN 4 3HB ASN 4 8.488 -6.819 -9.687
28 HD21 ASN 4 1HD2 ASN 4 6.764 -3.837 -8.937
29 HD22 ASN 4 2HD2 ASN 4 5.332 -4.231 -9.819
30 H THR 5 H THR 5 8.955 -8.628 -7.836
31 HA THR 5 HA THR 5 11.528 -7.931 -6.576
32 HB THR 5 HB THR 5 11.241 -10.679 -6.270
33 HG1 THR 5 HG1 THR 5 9.167 -11.045 -6.174
34 HG21 THR 5 3HG2 THR 5 12.237 -9.144 -4.653
35 HG22 THR 5 1HG2 THR 5 11.009 -10.147 -3.882
36 HG23 THR 5 2HG2 THR 5 10.647 -8.471 -4.295
37 H LEU 6 H LEU 6 13.310 -9.476 -7.160
38 HA LEU 6 HA LEU 6 13.620 -9.551 -9.970
39 HB2 LEU 6 2HB LEU 6 15.748 -10.556 -9.556
40 HB3 LEU 6 3HB LEU 6 15.471 -9.305 -8.346
41 HG LEU 6 HG LEU 6 14.755 -12.080 -7.594
42 HD11 LEU 6 1HD1 LEU 6 17.066 -12.620 -7.016
43 HD12 LEU 6 2HD1 LEU 6 17.612 -11.139 -7.803
44 HD13 LEU 6 3HD1 LEU 6 16.868 -12.421 -8.758
45 HD21 LEU 6 3HD2 LEU 6 16.066 -11.143 -5.523
46 HD22 LEU 6 1HD2 LEU 6 14.412 -10.628 -5.853
47 HD23 LEU 6 2HD2 LEU 6 15.764 -9.590 -6.305
48 H ASP 7 H ASP 7 12.358 -11.802 -7.683
49 HA ASP 7 HA ASP 7 12.699 -14.140 -9.312
50 HB2 ASP 7 2HB ASP 7 12.476 -14.135 -6.792
51 HB3 ASP 7 3HB ASP 7 10.766 -13.781 -7.019
52 H GLY 8 H GLY 8 10.751 -11.486 -9.616
53 HA2 GLY 8 2HA GLY 8 9.171 -11.159 -11.318
54 HA3 GLY 8 3HA GLY 8 8.996 -12.902 -11.459
55 H GLY 9 H GLY 9 8.834 -12.427 -8.263
56 HA2 GLY 9 2HA GLY 9 5.922 -12.536 -8.295
57 HA3 GLY 9 3HA GLY 9 6.964 -12.890 -6.925
58 H THR 10 H THR 10 4.934 -11.495 -6.185
59 HA THR 10 HA THR 10 5.766 -8.668 -6.198
60 HB THR 10 HB THR 10 3.318 -8.336 -5.363
61 HG1 THR 10 HG1 THR 10 1.906 -9.943 -6.034
62 HG21 THR 10 3HG2 THR 10 2.649 -7.827 -7.539
63 HG22 THR 10 1HG2 THR 10 3.553 -9.170 -8.236
64 HG23 THR 10 2HG2 THR 10 4.408 -7.751 -7.633
65 H GLU 11 H GLU 11 5.885 -7.543 -4.269
66 HA GLU 11 HA GLU 11 5.537 -9.120 -1.808
67 HB2 GLU 11 2HB GLU 11 7.765 -7.128 -2.186
68 HB3 GLU 11 3HB GLU 11 7.576 -8.313 -0.902
69 HG2 GLU 11 2HG GLU 11 7.656 -9.943 -3.042
70 HG3 GLU 11 3HG GLU 11 8.665 -8.616 -3.616
71 H GLU 12 H GLU 12 4.862 -7.996 0.020
72 HA GLU 12 HA GLU 12 3.498 -5.494 -0.551
73 HB2 GLU 12 2HB GLU 12 3.488 -7.134 1.988
74 HB3 GLU 12 3HB GLU 12 2.391 -5.820 1.585
75 HG2 GLU 12 2HG GLU 12 1.702 -7.241 -0.418
76 HG3 GLU 12 3HG GLU 12 2.533 -8.565 0.396
77 H CYS 13 H CYS 13 4.657 -3.691 -0.377
78 HA CYS 13 HA CYS 13 6.800 -3.509 1.592
79 HB2 CYS 13 2HB CYS 13 5.945 -1.618 -0.609
80 HB3 CYS 13 3HB CYS 13 7.322 -1.358 0.456
81 H ILE 14 H ILE 14 6.253 -2.897 3.575
82 HA ILE 14 HA ILE 14 3.863 -1.486 4.188
83 HB ILE 14 HB ILE 14 4.754 -1.359 6.486
84 HG12 ILE 14 2HG1 ILE 14 6.961 -2.842 6.689
85 HG13 ILE 14 3HG1 ILE 14 7.245 -2.191 5.079
86 HG21 ILE 14 1HG2 ILE 14 4.781 -3.746 6.918
87 HG22 ILE 14 2HG2 ILE 14 3.572 -3.361 5.695
88 HG23 ILE 14 3HG2 ILE 14 5.114 -4.070 5.217
89 HD11 ILE 14 3HD1 ILE 14 7.527 -0.934 7.661
90 HD12 ILE 14 1HD1 ILE 14 8.141 -0.433 6.085
91 HD13 ILE 14 2HD1 ILE 14 6.506 0.012 6.578
92 HA PRO 15 HA PRO 15 5.158 2.686 3.634
93 HB2 PRO 15 2HB PRO 15 3.401 3.903 5.308
94 HB3 PRO 15 3HB PRO 15 2.929 3.232 3.743
95 HG2 PRO 15 2HG PRO 15 2.637 2.049 6.477
96 HG3 PRO 15 3HG PRO 15 1.475 2.070 5.138
97 HD2 PRO 15 2HD PRO 15 2.989 -0.098 5.719
98 HD3 PRO 15 3HD PRO 15 2.492 0.303 4.063
99 H GLY 16 H GLY 16 6.260 4.384 4.681
100 HA2 GLY 16 2HA GLY 16 7.127 5.468 6.629
101 HA3 GLY 16 3HA GLY 16 6.944 3.958 7.509
102 H ILE 17 H ILE 17 8.209 2.140 5.966
103 HA ILE 17 HA ILE 17 10.981 2.931 6.300
104 HB ILE 17 HB ILE 17 9.894 0.255 5.423
105 HG12 ILE 17 2HG1 ILE 17 10.632 1.219 8.196
106 HG13 ILE 17 3HG1 ILE 17 8.998 0.900 7.622
107 HG21 ILE 17 1HG2 ILE 17 12.428 0.403 6.881
108 HG22 ILE 17 2HG2 ILE 17 11.996 -0.521 5.443
109 HG23 ILE 17 3HG2 ILE 17 12.454 1.176 5.296
110 HD11 ILE 17 3HD1 ILE 17 9.404 -1.047 8.706
111 HD12 ILE 17 1HD1 ILE 17 10.038 -1.477 7.118
112 HD13 ILE 17 2HD1 ILE 17 11.141 -0.986 8.403
113 H TYR 18 H TYR 18 9.355 1.075 3.727
114 HA TYR 18 HA TYR 18 11.243 2.160 1.791
115 HB2 TYR 18 2HB TYR 18 9.062 0.156 1.229
116 HB3 TYR 18 3HB TYR 18 10.550 0.427 0.329
117 HD1 TYR 18 HD2 TYR 18 12.683 0.294 2.162
118 HD2 TYR 18 HD1 TYR 18 9.044 -1.909 2.243
119 HE1 TYR 18 HE2 TYR 18 13.792 -1.480 3.456
120 HE2 TYR 18 HE1 TYR 18 10.142 -3.688 3.538
121 HH TYR 18 HH TYR 18 12.686 -3.430 5.226
122 H ASN 19 H ASN 19 10.773 3.922 0.674
123 HA ASN 19 HA ASN 19 7.944 4.505 0.084
124 HB2 ASN 19 2HB ASN 19 8.217 6.726 0.591
125 HB3 ASN 19 3HB ASN 19 9.394 6.036 1.705
126 HD21 ASN 19 1HD2 ASN 19 11.484 6.568 1.507
127 HD22 ASN 19 2HD2 ASN 19 12.125 7.586 0.266
128 H VAL 20 H VAL 20 10.975 3.799 -1.183
129 HA VAL 20 HA VAL 20 10.235 4.923 -3.807
130 HB VAL 20 HB VAL 20 12.713 4.632 -4.337
131 HG11 VAL 20 1HG1 VAL 20 11.443 6.678 -2.628
132 HG12 VAL 20 2HG1 VAL 20 13.204 6.720 -2.727
133 HG13 VAL 20 3HG1 VAL 20 12.235 6.838 -4.195
134 HG21 VAL 20 3HG2 VAL 20 14.273 4.465 -2.565
135 HG22 VAL 20 1HG2 VAL 20 13.015 4.658 -1.344
136 HG23 VAL 20 2HG2 VAL 20 13.096 3.178 -2.300
137 H CYS 21 H CYS 21 11.393 3.616 -5.630
138 HA CYS 21 HA CYS 21 11.673 0.795 -5.168
139 HB2 CYS 21 2HB CYS 21 9.816 0.217 -6.807
140 HB3 CYS 21 3HB CYS 21 9.301 0.748 -5.209
141 H VAL 22 H VAL 22 12.825 -0.185 -6.765
142 HA VAL 22 HA VAL 22 13.307 1.344 -9.234
143 HB VAL 22 HB VAL 22 15.333 0.168 -7.361
144 HG11 VAL 22 1HG1 VAL 22 15.531 0.424 -10.334
145 HG12 VAL 22 2HG1 VAL 22 16.963 0.629 -9.324
146 HG13 VAL 22 3HG1 VAL 22 16.066 -0.890 -9.286
147 HG21 VAL 22 3HG2 VAL 22 14.543 2.671 -7.577
148 HG22 VAL 22 1HG2 VAL 22 16.239 2.272 -7.308
149 HG23 VAL 22 2HG2 VAL 22 15.675 2.677 -8.929
150 H HIS 23 H HIS 23 13.451 0.172 -11.092
151 HA HIS 23 HA HIS 23 13.269 -2.758 -10.849
152 HB2 HIS 23 2HB HIS 23 11.073 -1.848 -11.426
153 HB3 HIS 23 3HB HIS 23 11.773 -0.986 -12.793
154 HD1 HIS 23 HD1 HIS 23 9.830 -2.472 -14.036
155 HD2 HIS 23 HD2 HIS 23 13.203 -4.486 -12.682
156 HE1 HIS 23 HE1 HIS 23 9.856 -4.656 -15.283
157 H TYR 24 H TYR 24 15.087 -3.592 -11.628
158 HA TYR 24 HA TYR 24 16.421 -2.262 -13.879
159 HB2 TYR 24 2HB TYR 24 17.717 -2.717 -11.778
160 HB3 TYR 24 3HB TYR 24 17.517 -4.437 -12.088
161 HD1 TYR 24 HD2 TYR 24 18.359 -5.279 -14.410
162 HD2 TYR 24 HD1 TYR 24 19.574 -1.613 -12.626
163 HE1 TYR 24 HE2 TYR 24 20.369 -5.262 -15.828
164 HE2 TYR 24 HE1 TYR 24 21.587 -1.585 -14.039
165 HH TYR 24 HH TYR 24 22.771 -2.656 -15.578
166 H LYS 25 H LYS 25 16.011 -3.047 -15.825
167 HA LYS 25 HA LYS 25 15.682 -5.956 -16.134
168 HB2 LYS 25 2HB LYS 25 13.551 -4.487 -16.345
169 HB3 LYS 25 3HB LYS 25 14.231 -3.999 -17.891
170 HG2 LYS 25 2HG LYS 25 14.390 -6.493 -18.410
171 HG3 LYS 25 3HG LYS 25 13.324 -6.720 -17.022
172 HD2 LYS 25 2HD LYS 25 11.904 -6.619 -18.903
173 HD3 LYS 25 3HD LYS 25 11.770 -5.041 -18.124
174 HE2 LYS 25 2HE LYS 25 11.961 -4.785 -20.530
175 HE3 LYS 25 3HE LYS 25 13.385 -4.126 -19.728
176 HZ1 LYS 25 3HZ LYS 25 13.809 -5.526 -21.752
177 HZ2 LYS 25 1HZ LYS 25 13.310 -6.866 -20.848
178 HZ3 LYS 25 2HZ LYS 25 14.666 -5.977 -20.365
179 H SER 26 H SER 26 17.314 -6.728 -17.285
180 HA SER 26 HA SER 26 18.237 -5.207 -19.623
181 HB2 SER 26 2HB SER 26 19.915 -6.367 -17.409
182 HB3 SER 26 3HB SER 26 20.581 -6.121 -19.024
183 HG SER 26 HG SER 26 20.981 -4.288 -17.818
184 H GLU 27 H GLU 27 19.407 -6.544 -21.203
185 HA GLU 27 HA GLU 27 18.027 -9.012 -21.643
186 HB2 GLU 27 2HB GLU 27 19.417 -9.141 -23.696
187 HB3 GLU 27 3HB GLU 27 18.557 -7.616 -23.537
188 HG2 GLU 27 2HG GLU 27 20.547 -6.487 -22.853
189 HG3 GLU 27 3HG GLU 27 21.435 -8.006 -22.758
190 H ASP 28 H ASP 28 20.852 -8.153 -19.990
191 HA ASP 28 HA ASP 28 21.989 -10.848 -20.243
192 HB2 ASP 28 2HB ASP 28 23.276 -8.493 -20.421
193 HB3 ASP 28 3HB ASP 28 23.412 -8.762 -18.685
194 H GLU 29 H GLU 29 20.390 -8.705 -18.050
195 HA GLU 29 HA GLU 29 20.047 -10.824 -16.139
196 HB2 GLU 29 2HB GLU 29 21.095 -9.789 -14.255
197 HB3 GLU 29 3HB GLU 29 22.286 -9.865 -15.546
198 HG2 GLU 29 2HG GLU 29 21.567 -7.467 -16.086
199 HG3 GLU 29 3HG GLU 29 20.811 -7.483 -14.494
200 H GLU 30 H GLU 30 18.677 -10.094 -14.274
201 HA GLU 30 HA GLU 30 17.211 -7.631 -14.616
202 HB2 GLU 30 2HB GLU 30 16.111 -9.130 -16.242
203 HB3 GLU 30 3HB GLU 30 15.788 -10.277 -14.950
204 HG2 GLU 30 2HG GLU 30 14.374 -8.647 -13.832
205 HG3 GLU 30 3HG GLU 30 14.720 -7.467 -15.095
206 H TYR 31 H TYR 31 16.763 -6.877 -12.659
207 HA TYR 31 HA TYR 31 15.847 -8.614 -10.544
208 HB2 TYR 31 2HB TYR 31 17.612 -8.018 -8.957
209 HB3 TYR 31 3HB TYR 31 18.285 -8.857 -10.350
210 HD1 TYR 31 HD2 TYR 31 17.833 -5.505 -8.830
211 HD2 TYR 31 HD1 TYR 31 19.954 -7.851 -11.676
212 HE1 TYR 31 HE2 TYR 31 19.410 -3.650 -9.175
213 HE2 TYR 31 HE1 TYR 31 21.538 -6.003 -12.028
214 HH TYR 31 HH TYR 31 21.455 -3.109 -10.044
215 H LYS 32 H LYS 32 15.260 -7.377 -8.582
216 HA LYS 32 HA LYS 32 14.879 -4.510 -9.040
217 HB2 LYS 32 2HB LYS 32 12.702 -6.517 -8.475
218 HB3 LYS 32 3HB LYS 32 12.506 -4.803 -8.131
219 HG2 LYS 32 2HG LYS 32 11.699 -4.671 -10.204
220 HG3 LYS 32 3HG LYS 32 13.386 -4.764 -10.715
221 HD2 LYS 32 2HD LYS 32 12.558 -6.477 -11.961
222 HD3 LYS 32 3HD LYS 32 12.893 -7.372 -10.477
223 HE2 LYS 32 2HE LYS 32 10.715 -8.001 -11.086
224 HE3 LYS 32 3HE LYS 32 10.503 -6.818 -9.796
225 HZ1 LYS 32 3HZ LYS 32 10.156 -5.123 -11.545
226 HZ2 LYS 32 1HZ LYS 32 8.973 -6.332 -11.542
227 HZ3 LYS 32 2HZ LYS 32 10.196 -6.348 -12.710
228 H SER 33 H SER 33 15.131 -3.296 -7.251
229 HA SER 33 HA SER 33 14.651 -4.253 -4.610
230 HB2 SER 33 2HB SER 33 17.416 -4.360 -5.709
231 HB3 SER 33 3HB SER 33 17.225 -3.768 -4.059
232 HG SER 33 HG SER 33 17.486 -6.155 -4.475
233 H CYS 34 H CYS 34 14.779 -2.616 -3.049
234 HA CYS 34 HA CYS 34 15.962 -0.111 -3.373
235 HB2 CYS 34 2HB CYS 34 13.854 -0.318 -5.110
236 HB3 CYS 34 3HB CYS 34 13.091 0.423 -3.707
237 H GLY 35 H GLY 35 14.291 1.588 -2.056
238 HA2 GLY 35 2HA GLY 35 12.836 0.514 0.090
239 HA3 GLY 35 3HA GLY 35 14.501 0.723 0.612
240 H ILE 36 H ILE 36 15.403 2.847 0.638
241 HA ILE 36 HA ILE 36 13.343 4.942 0.850
242 HB ILE 36 HB ILE 36 15.226 6.086 2.253
243 HG12 ILE 36 2HG1 ILE 36 15.960 3.163 2.532
244 HG13 ILE 36 3HG1 ILE 36 16.944 4.388 1.738
245 HG21 ILE 36 1HG2 ILE 36 14.120 5.444 4.166
246 HG22 ILE 36 2HG2 ILE 36 12.940 5.024 2.926
247 HG23 ILE 36 3HG2 ILE 36 13.954 3.769 3.638
248 HD11 ILE 36 3HD1 ILE 36 16.480 3.891 4.615
249 HD12 ILE 36 1HD1 ILE 36 17.946 4.378 3.765
250 HD13 ILE 36 2HD1 ILE 36 16.685 5.565 4.100
251 H GLN 37 H GLN 37 13.970 7.119 0.259
252 HA GLN 37 HA GLN 37 15.067 7.334 -2.273
253 HB2 GLN 37 2HB GLN 37 14.798 9.421 -0.107
254 HB3 GLN 37 3HB GLN 37 15.246 9.790 -1.767
255 HG2 GLN 37 2HG GLN 37 12.798 8.199 -1.455
256 HG3 GLN 37 3HG GLN 37 12.723 9.840 -0.816
257 HE21 GLN 37 1HE2 GLN 37 14.029 8.194 -3.680
258 HE22 GLN 37 2HE2 GLN 37 13.418 9.335 -4.824
259 H GLU 38 H GLU 38 16.633 7.367 0.837
260 HA GLU 38 HA GLU 38 19.123 8.423 -0.109
261 HB2 GLU 38 2HB GLU 38 18.214 7.132 2.443
262 HB3 GLU 38 3HB GLU 38 19.924 7.414 2.150
263 HG2 GLU 38 2HG GLU 38 18.991 9.847 1.574
264 HG3 GLU 38 3HG GLU 38 17.751 9.331 2.715
265 H GLU 39 H GLU 39 17.691 5.263 0.185
266 HA GLU 39 HA GLU 39 20.199 3.882 -0.265
267 HB2 GLU 39 2HB GLU 39 17.368 3.046 0.218
268 HB3 GLU 39 3HB GLU 39 18.488 1.897 -0.500
269 HG2 GLU 39 2HG GLU 39 19.269 3.336 1.988
270 HG3 GLU 39 3HG GLU 39 18.144 1.982 2.081
271 H CYS 40 H CYS 40 17.324 4.787 -2.069
272 HA CYS 40 HA CYS 40 18.024 3.284 -4.409
273 HB2 CYS 40 2HB CYS 40 15.846 5.069 -3.569
274 HB3 CYS 40 3HB CYS 40 16.249 5.184 -5.279
275 H GLU 41 H GLU 41 18.460 6.591 -3.300
276 HA GLU 41 HA GLU 41 19.303 7.722 -5.732
277 HB2 GLU 41 2HB GLU 41 18.679 9.140 -3.886
278 HB3 GLU 41 3HB GLU 41 19.949 8.462 -2.876
279 HG2 GLU 41 2HG GLU 41 21.628 9.588 -4.002
280 HG3 GLU 41 3HG GLU 41 20.632 9.847 -5.433
281 H ASP 42 H ASP 42 20.889 5.636 -3.491
282 HA ASP 42 HA ASP 42 23.563 6.211 -3.862
283 HB2 ASP 42 2HB ASP 42 22.401 4.400 -2.395
284 HB3 ASP 42 3HB ASP 42 22.615 3.362 -3.802
285 H ALA 43 H ALA 43 21.320 4.667 -6.040
286 HA ALA 43 HA ALA 43 23.226 3.548 -7.816
287 HB1 ALA 43 1HB ALA 43 21.392 3.237 -9.335
288 HB2 ALA 43 2HB ALA 43 20.843 2.868 -7.700
289 HB3 ALA 43 3HB ALA 43 20.406 4.402 -8.451
290 H GLU 44 H GLU 44 24.780 5.180 -8.176
291 HA GLU 44 HA GLU 44 24.124 7.743 -9.205
292 HB2 GLU 44 2HB GLU 44 26.748 6.271 -9.479
293 HB3 GLU 44 3HB GLU 44 26.493 8.006 -9.597
294 HG2 GLU 44 2HG GLU 44 26.044 6.361 -7.117
295 HG3 GLU 44 3HG GLU 44 27.484 7.319 -7.455
296 H GLY 45 H GLY 45 24.304 8.554 -11.308
297 HA2 GLY 45 2HA GLY 45 24.829 8.263 -13.646
298 HA3 GLY 45 3HA GLY 45 24.523 6.543 -13.451
299 H ALA 46 H ALA 46 22.280 5.890 -13.012
300 HA ALA 46 HA ALA 46 20.470 7.409 -14.698
301 HB1 ALA 46 1HB ALA 46 20.542 5.045 -15.073
302 HB2 ALA 46 2HB ALA 46 20.205 4.716 -13.373
303 HB3 ALA 46 3HB ALA 46 18.966 5.448 -14.392
304 H THR 47 H THR 47 18.345 8.024 -14.050
305 HA THR 47 HA THR 47 18.261 9.000 -11.320
306 HB THR 47 HB THR 47 17.595 10.453 -13.233
307 HG1 THR 47 HG1 THR 47 15.462 9.940 -11.413
308 HG21 THR 47 3HG2 THR 47 15.542 10.117 -14.393
309 HG22 THR 47 1HG2 THR 47 15.097 8.768 -13.349
310 HG23 THR 47 2HG2 THR 47 16.433 8.598 -14.488
311 H VAL 48 H VAL 48 16.824 8.399 -9.754
312 HA VAL 48 HA VAL 48 15.304 5.941 -10.284
313 HB VAL 48 HB VAL 48 16.195 7.126 -7.650
314 HG11 VAL 48 1HG1 VAL 48 14.373 4.905 -8.349
315 HG12 VAL 48 2HG1 VAL 48 15.526 4.605 -7.047
316 HG13 VAL 48 3HG1 VAL 48 14.395 5.954 -6.931
317 HG21 VAL 48 3HG2 VAL 48 17.706 5.767 -9.497
318 HG22 VAL 48 1HG2 VAL 48 18.050 5.882 -7.771
319 HG23 VAL 48 2HG2 VAL 48 17.181 4.486 -8.406
320 H LEU 49 H LEU 49 13.187 6.127 -10.542
321 HA LEU 49 HA LEU 49 11.761 8.232 -9.058
322 HB2 LEU 49 2HB LEU 49 11.780 9.051 -11.249
323 HB3 LEU 49 3HB LEU 49 11.529 7.450 -11.943
324 HG LEU 49 HG LEU 49 9.337 8.485 -10.256
325 HD11 LEU 49 1HD1 LEU 49 10.352 9.925 -12.625
326 HD12 LEU 49 2HD1 LEU 49 9.420 10.512 -11.248
327 HD13 LEU 49 3HD1 LEU 49 8.611 9.647 -12.555
328 HD21 LEU 49 3HD2 LEU 49 8.467 6.694 -11.253
329 HD22 LEU 49 1HD2 LEU 49 9.783 6.614 -12.425
330 HD23 LEU 49 2HD2 LEU 49 8.397 7.663 -12.726
331 H CYS 50 H CYS 50 9.988 7.593 -7.981
332 HA CYS 50 HA CYS 50 8.962 4.882 -8.512
333 HB2 CYS 50 2HB CYS 50 10.305 5.117 -6.382
334 HB3 CYS 50 3HB CYS 50 9.051 6.205 -5.798
335 H CYS 51 H CYS 51 6.736 4.546 -8.250
336 HA CYS 51 HA CYS 51 5.145 6.999 -8.461
337 HB2 CYS 51 2HB CYS 51 3.992 4.291 -8.972
338 HB3 CYS 51 3HB CYS 51 3.630 5.828 -9.752
339 HA PRO 52 HA PRO 52 3.266 6.469 -4.526
340 HB2 PRO 52 2HB PRO 52 0.834 7.582 -4.993
341 HB3 PRO 52 3HB PRO 52 2.316 8.535 -4.851
342 HG2 PRO 52 2HG PRO 52 0.874 7.630 -7.314
343 HG3 PRO 52 3HG PRO 52 1.601 9.209 -6.959
344 HD2 PRO 52 2HD PRO 52 2.828 7.354 -8.504
345 HD3 PRO 52 3HD PRO 52 3.728 8.486 -7.474
346 H GLU 53 H GLU 53 2.087 4.924 -7.325
347 HA GLU 53 HA GLU 53 -0.088 3.549 -5.988
348 HB2 GLU 53 2HB GLU 53 1.047 3.472 -8.772
349 HB3 GLU 53 3HB GLU 53 -0.113 2.267 -8.230
350 HG2 GLU 53 2HG GLU 53 -1.416 3.861 -9.299
351 HG3 GLU 53 3HG GLU 53 -1.596 4.245 -7.588
352 H ASP 54 H ASP 54 -0.072 1.030 -6.674
353 HA ASP 54 HA ASP 54 2.285 -0.051 -5.320
354 HB2 ASP 54 2HB ASP 54 0.828 -2.171 -5.286
355 HB3 ASP 54 3HB ASP 54 0.323 -0.818 -4.278
356 H LEU 55 H LEU 55 3.551 -1.685 -6.176
357 HA LEU 55 HA LEU 55 4.677 -2.818 -7.794
358 HB2 LEU 55 2HB LEU 55 1.928 -2.997 -9.017
359 HB3 LEU 55 3HB LEU 55 3.328 -3.937 -9.529
360 HG LEU 55 HG LEU 55 1.919 -4.119 -6.867
361 HD11 LEU 55 1HD1 LEU 55 1.080 -6.179 -7.578
362 HD12 LEU 55 2HD1 LEU 55 2.193 -6.266 -8.943
363 HD13 LEU 55 3HD1 LEU 55 0.855 -5.117 -8.968
364 HD21 LEU 55 3HD2 LEU 55 3.448 -5.932 -6.365
365 HD22 LEU 55 1HD2 LEU 55 4.347 -4.443 -6.660
366 HD23 LEU 55 2HD2 LEU 55 4.275 -5.691 -7.905
367 H CYS 56 H CYS 56 5.379 -0.410 -8.103
368 HA CYS 56 HA CYS 56 4.709 0.524 -10.800
369 HB2 CYS 56 2HB CYS 56 4.533 2.179 -9.001
370 HB3 CYS 56 3HB CYS 56 6.217 1.901 -8.568
371 H ASN 57 H ASN 57 7.176 -1.037 -9.016
372 HA ASN 57 HA ASN 57 9.120 -0.554 -11.173
373 HB2 ASN 57 2HB ASN 57 10.873 -1.006 -9.629
374 HB3 ASN 57 3HB ASN 57 9.753 0.067 -8.794
375 HD21 ASN 57 1HD2 ASN 57 11.720 -2.226 -8.090
376 HD22 ASN 57 2HD2 ASN 57 10.827 -3.149 -6.935
Start of MODEL 18
1 H1 LEU 1 H LEU 1 1.443 0.413 0.508
2 HA LEU 1 HA LEU 1 1.260 0.218 -2.361
3 HB2 LEU 1 2HB LEU 1 2.741 1.733 -0.591
4 HB3 LEU 1 3HB LEU 1 3.926 0.617 -1.266
5 HG LEU 1 HG LEU 1 3.851 2.768 -2.459
6 HD11 LEU 1 1HD1 LEU 1 4.217 0.374 -3.515
7 HD12 LEU 1 2HD1 LEU 1 4.189 1.831 -4.508
8 HD13 LEU 1 3HD1 LEU 1 2.756 0.808 -4.404
9 HD21 LEU 1 3HD2 LEU 1 1.136 1.980 -3.470
10 HD22 LEU 1 1HD2 LEU 1 1.974 3.523 -3.638
11 HD23 LEU 1 2HD2 LEU 1 1.341 3.031 -2.067
12 H GLN 2 H GLN 2 2.519 -1.107 -3.705
13 HA GLN 2 HA GLN 2 3.808 -3.403 -2.397
14 HB2 GLN 2 2HB GLN 2 1.578 -3.385 -4.346
15 HB3 GLN 2 3HB GLN 2 2.839 -4.579 -4.621
16 HG2 GLN 2 2HG GLN 2 2.526 -5.333 -2.261
17 HG3 GLN 2 3HG GLN 2 1.132 -4.258 -2.168
18 HE21 GLN 2 1HE2 GLN 2 2.466 -6.837 -4.202
19 HE22 GLN 2 2HE2 GLN 2 0.950 -7.599 -4.529
20 H CYS 3 H CYS 3 5.522 -4.359 -3.532
21 HA CYS 3 HA CYS 3 6.429 -2.957 -5.948
22 HB2 CYS 3 2HB CYS 3 8.336 -3.710 -3.740
23 HB3 CYS 3 3HB CYS 3 8.629 -2.661 -5.123
24 H ASN 4 H ASN 4 7.654 -4.185 -7.382
25 HA ASN 4 HA ASN 4 7.169 -7.003 -7.289
26 HB2 ASN 4 2HB ASN 4 8.754 -5.296 -9.218
27 HB3 ASN 4 3HB ASN 4 8.463 -7.019 -9.438
28 HD21 ASN 4 1HD2 ASN 4 6.868 -3.901 -9.090
29 HD22 ASN 4 2HD2 ASN 4 5.456 -4.318 -9.995
30 H THR 5 H THR 5 8.877 -8.631 -7.586
31 HA THR 5 HA THR 5 11.353 -7.906 -6.159
32 HB THR 5 HB THR 5 11.371 -9.990 -5.009
33 HG1 THR 5 HG1 THR 5 10.229 -11.686 -5.645
34 HG21 THR 5 3HG2 THR 5 8.494 -9.099 -4.897
35 HG22 THR 5 1HG2 THR 5 9.812 -8.186 -4.165
36 HG23 THR 5 2HG2 THR 5 9.457 -9.821 -3.608
37 H LEU 6 H LEU 6 13.235 -9.148 -6.693
38 HA LEU 6 HA LEU 6 13.527 -9.611 -9.467
39 HB2 LEU 6 2HB LEU 6 15.765 -10.022 -9.032
40 HB3 LEU 6 3HB LEU 6 15.290 -8.929 -7.733
41 HG LEU 6 HG LEU 6 14.909 -11.249 -6.471
42 HD11 LEU 6 1HD1 LEU 6 16.784 -11.833 -8.716
43 HD12 LEU 6 2HD1 LEU 6 15.519 -12.841 -8.013
44 HD13 LEU 6 3HD1 LEU 6 17.036 -12.600 -7.148
45 HD21 LEU 6 3HD2 LEU 6 16.491 -10.370 -5.185
46 HD22 LEU 6 1HD2 LEU 6 16.810 -9.192 -6.459
47 HD23 LEU 6 2HD2 LEU 6 17.728 -10.697 -6.400
48 H ASP 7 H ASP 7 12.528 -11.614 -6.866
49 HA ASP 7 HA ASP 7 13.211 -14.120 -8.087
50 HB2 ASP 7 2HB ASP 7 12.857 -13.653 -5.585
51 HB3 ASP 7 3HB ASP 7 11.134 -13.735 -5.940
52 H GLY 8 H GLY 8 10.949 -11.824 -8.831
53 HA2 GLY 8 2HA GLY 8 9.442 -12.040 -10.641
54 HA3 GLY 8 3HA GLY 8 9.396 -13.774 -10.364
55 H GLY 9 H GLY 9 9.109 -12.687 -7.367
56 HA2 GLY 9 2HA GLY 9 6.188 -12.845 -7.466
57 HA3 GLY 9 3HA GLY 9 7.189 -13.050 -6.036
58 H THR 10 H THR 10 5.155 -11.555 -5.526
59 HA THR 10 HA THR 10 6.015 -8.756 -5.855
60 HB THR 10 HB THR 10 3.547 -8.350 -5.053
61 HG1 THR 10 HG1 THR 10 2.338 -10.080 -5.033
62 HG21 THR 10 3HG2 THR 10 3.997 -9.377 -7.851
63 HG22 THR 10 1HG2 THR 10 4.583 -7.812 -7.291
64 HG23 THR 10 2HG2 THR 10 2.851 -8.146 -7.322
65 H GLU 11 H GLU 11 6.125 -7.407 -4.076
66 HA GLU 11 HA GLU 11 5.797 -8.694 -1.447
67 HB2 GLU 11 2HB GLU 11 7.774 -7.517 -0.645
68 HB3 GLU 11 3HB GLU 11 8.179 -8.530 -2.023
69 HG2 GLU 11 2HG GLU 11 8.481 -6.721 -3.434
70 HG3 GLU 11 3HG GLU 11 7.531 -5.641 -2.414
71 H GLU 12 H GLU 12 5.074 -7.396 0.243
72 HA GLU 12 HA GLU 12 3.603 -5.039 -0.608
73 HB2 GLU 12 2HB GLU 12 2.623 -5.139 1.677
74 HB3 GLU 12 3HB GLU 12 2.400 -6.619 0.754
75 HG2 GLU 12 2HG GLU 12 3.386 -7.806 2.332
76 HG3 GLU 12 3HG GLU 12 4.829 -6.797 2.243
77 H CYS 13 H CYS 13 4.562 -3.125 -0.565
78 HA CYS 13 HA CYS 13 6.793 -2.640 1.244
79 HB2 CYS 13 2HB CYS 13 5.639 -1.094 -1.076
80 HB3 CYS 13 3HB CYS 13 6.899 -0.437 -0.037
81 H ILE 14 H ILE 14 6.331 -1.963 3.227
82 HA ILE 14 HA ILE 14 3.870 -0.619 3.855
83 HB ILE 14 HB ILE 14 4.787 -0.494 6.159
84 HG12 ILE 14 2HG1 ILE 14 7.149 -1.984 4.994
85 HG13 ILE 14 3HG1 ILE 14 7.177 -0.291 5.475
86 HG21 ILE 14 1HG2 ILE 14 3.609 -2.524 5.083
87 HG22 ILE 14 2HG2 ILE 14 5.201 -3.279 5.144
88 HG23 ILE 14 3HG2 ILE 14 4.424 -2.738 6.632
89 HD11 ILE 14 3HD1 ILE 14 8.152 -1.854 7.137
90 HD12 ILE 14 1HD1 ILE 14 6.832 -0.866 7.762
91 HD13 ILE 14 2HD1 ILE 14 6.549 -2.557 7.346
92 HA PRO 15 HA PRO 15 5.200 3.546 3.343
93 HB2 PRO 15 2HB PRO 15 3.464 4.765 5.038
94 HB3 PRO 15 3HB PRO 15 2.977 4.113 3.468
95 HG2 PRO 15 2HG PRO 15 2.689 2.907 6.193
96 HG3 PRO 15 3HG PRO 15 1.520 2.952 4.860
97 HD2 PRO 15 2HD PRO 15 3.017 0.763 5.413
98 HD3 PRO 15 3HD PRO 15 2.514 1.185 3.763
99 H GLY 16 H GLY 16 7.274 2.924 4.456
100 HA2 GLY 16 2HA GLY 16 7.801 4.748 6.571
101 HA3 GLY 16 3HA GLY 16 7.725 3.104 7.187
102 H ILE 17 H ILE 17 9.070 1.498 5.851
103 HA ILE 17 HA ILE 17 11.741 2.645 5.610
104 HB ILE 17 HB ILE 17 10.880 -0.250 5.582
105 HG12 ILE 17 2HG1 ILE 17 10.499 1.030 7.729
106 HG13 ILE 17 3HG1 ILE 17 11.567 -0.362 7.866
107 HG21 ILE 17 1HG2 ILE 17 13.634 0.948 5.846
108 HG22 ILE 17 2HG2 ILE 17 13.231 -0.768 5.873
109 HG23 ILE 17 3HG2 ILE 17 12.994 0.171 4.399
110 HD11 ILE 17 3HD1 ILE 17 12.458 2.502 7.632
111 HD12 ILE 17 1HD1 ILE 17 12.386 1.564 9.124
112 HD13 ILE 17 2HD1 ILE 17 13.501 1.096 7.840
113 H TYR 18 H TYR 18 9.249 1.189 3.663
114 HA TYR 18 HA TYR 18 10.998 1.425 1.302
115 HB2 TYR 18 2HB TYR 18 8.576 -0.360 1.457
116 HB3 TYR 18 3HB TYR 18 9.887 -0.401 0.284
117 HD1 TYR 18 HD2 TYR 18 12.181 -0.184 2.268
118 HD2 TYR 18 HD1 TYR 18 8.676 -2.596 2.229
119 HE1 TYR 18 HE2 TYR 18 13.340 -1.880 3.621
120 HE2 TYR 18 HE1 TYR 18 9.825 -4.298 3.583
121 HH TYR 18 HH TYR 18 11.650 -4.731 4.836
122 H ASN 19 H ASN 19 10.466 3.533 0.788
123 HA ASN 19 HA ASN 19 7.640 4.042 0.139
124 HB2 ASN 19 2HB ASN 19 7.942 6.307 0.626
125 HB3 ASN 19 3HB ASN 19 8.918 5.510 1.856
126 HD21 ASN 19 1HD2 ASN 19 11.212 5.391 1.512
127 HD22 ASN 19 2HD2 ASN 19 12.004 6.614 0.582
128 H VAL 20 H VAL 20 10.672 3.465 -1.192
129 HA VAL 20 HA VAL 20 9.888 4.718 -3.743
130 HB VAL 20 HB VAL 20 12.302 4.629 -4.348
131 HG11 VAL 20 1HG1 VAL 20 11.629 6.745 -3.695
132 HG12 VAL 20 2HG1 VAL 20 11.318 6.245 -2.031
133 HG13 VAL 20 3HG1 VAL 20 12.976 6.427 -2.603
134 HG21 VAL 20 3HG2 VAL 20 12.615 2.846 -2.393
135 HG22 VAL 20 1HG2 VAL 20 13.936 3.866 -2.964
136 HG23 VAL 20 2HG2 VAL 20 13.055 4.301 -1.499
137 H CYS 21 H CYS 21 11.008 3.534 -5.655
138 HA CYS 21 HA CYS 21 11.263 0.674 -5.323
139 HB2 CYS 21 2HB CYS 21 9.495 0.270 -7.123
140 HB3 CYS 21 3HB CYS 21 8.908 0.673 -5.513
141 H VAL 22 H VAL 22 12.378 -0.299 -6.985
142 HA VAL 22 HA VAL 22 13.077 1.363 -9.304
143 HB VAL 22 HB VAL 22 14.956 0.097 -7.353
144 HG11 VAL 22 1HG1 VAL 22 15.742 -1.014 -9.236
145 HG12 VAL 22 2HG1 VAL 22 15.359 0.331 -10.312
146 HG13 VAL 22 3HG1 VAL 22 16.725 0.449 -9.202
147 HG21 VAL 22 3HG2 VAL 22 16.064 2.164 -7.424
148 HG22 VAL 22 1HG2 VAL 22 15.298 2.620 -8.946
149 HG23 VAL 22 2HG2 VAL 22 14.350 2.577 -7.459
150 H HIS 23 H HIS 23 13.255 0.288 -11.209
151 HA HIS 23 HA HIS 23 12.961 -2.643 -11.125
152 HB2 HIS 23 2HB HIS 23 10.874 -1.586 -11.846
153 HB3 HIS 23 3HB HIS 23 11.737 -0.713 -13.108
154 HD1 HIS 23 HD1 HIS 23 9.873 -2.014 -14.616
155 HD2 HIS 23 HD2 HIS 23 12.928 -4.312 -12.989
156 HE1 HIS 23 HE1 HIS 23 9.885 -4.151 -15.941
157 H TYR 24 H TYR 24 14.805 -3.531 -11.773
158 HA TYR 24 HA TYR 24 16.390 -2.185 -13.844
159 HB2 TYR 24 2HB TYR 24 17.486 -2.762 -11.670
160 HB3 TYR 24 3HB TYR 24 17.220 -4.463 -12.037
161 HD1 TYR 24 HD2 TYR 24 18.222 -5.322 -14.277
162 HD2 TYR 24 HD1 TYR 24 19.450 -1.728 -12.359
163 HE1 TYR 24 HE2 TYR 24 20.342 -5.389 -15.522
164 HE2 TYR 24 HE1 TYR 24 21.573 -1.784 -13.601
165 HH TYR 24 HH TYR 24 22.672 -4.492 -15.241
166 H LYS 25 H LYS 25 16.123 -2.882 -15.848
167 HA LYS 25 HA LYS 25 15.694 -5.760 -16.297
168 HB2 LYS 25 2HB LYS 25 13.594 -4.493 -16.639
169 HB3 LYS 25 3HB LYS 25 14.405 -3.506 -17.848
170 HG2 LYS 25 2HG LYS 25 14.766 -5.494 -19.226
171 HG3 LYS 25 3HG LYS 25 13.938 -6.477 -18.015
172 HD2 LYS 25 2HD LYS 25 12.269 -6.053 -19.576
173 HD3 LYS 25 3HD LYS 25 11.982 -4.819 -18.347
174 HE2 LYS 25 2HE LYS 25 13.789 -4.165 -20.618
175 HE3 LYS 25 3HE LYS 25 12.053 -4.225 -20.922
176 HZ1 LYS 25 3HZ LYS 25 12.316 -2.779 -18.610
177 HZ2 LYS 25 1HZ LYS 25 11.987 -2.161 -20.150
178 HZ3 LYS 25 2HZ LYS 25 13.581 -2.225 -19.588
179 H SER 26 H SER 26 17.390 -6.566 -17.326
180 HA SER 26 HA SER 26 18.595 -4.999 -19.502
181 HB2 SER 26 2HB SER 26 19.993 -6.362 -17.211
182 HB3 SER 26 3HB SER 26 20.817 -6.093 -18.747
183 HG SER 26 HG SER 26 21.201 -4.354 -17.375
184 H GLU 27 H GLU 27 19.815 -6.321 -21.050
185 HA GLU 27 HA GLU 27 18.344 -8.681 -21.734
186 HB2 GLU 27 2HB GLU 27 19.702 -8.742 -23.725
187 HB3 GLU 27 3HB GLU 27 19.221 -7.079 -23.420
188 HG2 GLU 27 2HG GLU 27 21.479 -6.810 -22.275
189 HG3 GLU 27 3HG GLU 27 21.908 -8.345 -23.028
190 H ASP 28 H ASP 28 21.065 -8.069 -19.816
191 HA ASP 28 HA ASP 28 22.072 -10.810 -20.122
192 HB2 ASP 28 2HB ASP 28 23.483 -8.508 -20.049
193 HB3 ASP 28 3HB ASP 28 23.482 -8.915 -18.336
194 H GLU 29 H GLU 29 20.410 -8.692 -17.954
195 HA GLU 29 HA GLU 29 19.802 -10.879 -16.192
196 HB2 GLU 29 2HB GLU 29 20.765 -10.043 -14.191
197 HB3 GLU 29 3HB GLU 29 22.044 -10.021 -15.396
198 HG2 GLU 29 2HG GLU 29 21.353 -7.568 -15.765
199 HG3 GLU 29 3HG GLU 29 20.536 -7.729 -14.212
200 H GLU 30 H GLU 30 18.320 -10.164 -14.406
201 HA GLU 30 HA GLU 30 17.008 -7.615 -14.745
202 HB2 GLU 30 2HB GLU 30 15.929 -8.887 -16.514
203 HB3 GLU 30 3HB GLU 30 15.562 -10.189 -15.392
204 HG2 GLU 30 2HG GLU 30 14.125 -8.646 -14.117
205 HG3 GLU 30 3HG GLU 30 14.443 -7.397 -15.320
206 H TYR 31 H TYR 31 16.443 -6.923 -12.797
207 HA TYR 31 HA TYR 31 15.274 -8.697 -10.843
208 HB2 TYR 31 2HB TYR 31 16.933 -8.268 -9.097
209 HB3 TYR 31 3HB TYR 31 17.676 -9.076 -10.473
210 HD1 TYR 31 HD2 TYR 31 17.244 -5.760 -8.861
211 HD2 TYR 31 HD1 TYR 31 19.514 -8.116 -11.581
212 HE1 TYR 31 HE2 TYR 31 18.931 -3.976 -8.989
213 HE2 TYR 31 HE1 TYR 31 21.209 -6.339 -11.716
214 HH TYR 31 HH TYR 31 21.347 -3.764 -9.547
215 H LYS 32 H LYS 32 14.595 -7.515 -8.876
216 HA LYS 32 HA LYS 32 14.385 -4.615 -9.239
217 HB2 LYS 32 2HB LYS 32 12.035 -6.434 -8.675
218 HB3 LYS 32 3HB LYS 32 11.983 -4.677 -8.698
219 HG2 LYS 32 2HG LYS 32 12.201 -4.567 -10.995
220 HG3 LYS 32 3HG LYS 32 12.918 -6.176 -11.107
221 HD2 LYS 32 2HD LYS 32 10.515 -6.815 -10.084
222 HD3 LYS 32 3HD LYS 32 10.079 -5.361 -10.983
223 HE2 LYS 32 2HE LYS 32 10.574 -6.303 -13.012
224 HE3 LYS 32 3HE LYS 32 11.773 -7.402 -12.331
225 HZ1 LYS 32 3HZ LYS 32 9.900 -8.679 -12.989
226 HZ2 LYS 32 1HZ LYS 32 8.821 -7.654 -12.185
227 HZ3 LYS 32 2HZ LYS 32 9.885 -8.624 -11.299
228 H SER 33 H SER 33 14.602 -3.488 -7.396
229 HA SER 33 HA SER 33 13.875 -4.483 -4.831
230 HB2 SER 33 2HB SER 33 16.703 -4.758 -5.732
231 HB3 SER 33 3HB SER 33 16.421 -4.232 -4.073
232 HG SER 33 HG SER 33 15.040 -6.114 -3.876
233 H CYS 34 H CYS 34 13.994 -2.904 -3.218
234 HA CYS 34 HA CYS 34 15.395 -0.498 -3.355
235 HB2 CYS 34 2HB CYS 34 13.427 -0.484 -5.265
236 HB3 CYS 34 3HB CYS 34 12.618 0.288 -3.905
237 H GLY 35 H GLY 35 13.755 1.296 -2.124
238 HA2 GLY 35 2HA GLY 35 11.962 0.483 -0.214
239 HA3 GLY 35 3HA GLY 35 13.536 0.162 0.498
240 H ILE 36 H ILE 36 15.034 1.981 0.687
241 HA ILE 36 HA ILE 36 13.561 4.459 1.250
242 HB ILE 36 HB ILE 36 15.757 5.020 2.505
243 HG12 ILE 36 2HG1 ILE 36 15.975 2.006 2.350
244 HG13 ILE 36 3HG1 ILE 36 17.050 3.141 1.542
245 HG21 ILE 36 1HG2 ILE 36 13.372 4.110 3.311
246 HG22 ILE 36 2HG2 ILE 36 14.392 2.790 3.881
247 HG23 ILE 36 3HG2 ILE 36 14.701 4.439 4.422
248 HD11 ILE 36 3HD1 ILE 36 17.984 2.192 3.618
249 HD12 ILE 36 1HD1 ILE 36 17.860 3.951 3.649
250 HD13 ILE 36 2HD1 ILE 36 16.683 2.968 4.522
251 H GLN 37 H GLN 37 13.944 6.271 0.140
252 HA GLN 37 HA GLN 37 15.278 6.355 -2.260
253 HB2 GLN 37 2HB GLN 37 13.646 8.052 -1.380
254 HB3 GLN 37 3HB GLN 37 14.952 8.723 -0.414
255 HG2 GLN 37 2HG GLN 37 15.355 10.056 -2.140
256 HG3 GLN 37 3HG GLN 37 16.030 8.637 -2.940
257 HE21 GLN 37 1HE2 GLN 37 14.383 7.264 -4.090
258 HE22 GLN 37 2HE2 GLN 37 13.164 8.097 -4.988
259 H GLU 38 H GLU 38 16.552 6.866 0.958
260 HA GLU 38 HA GLU 38 18.983 8.085 0.316
261 HB2 GLU 38 2HB GLU 38 18.269 7.986 2.603
262 HB3 GLU 38 3HB GLU 38 18.237 6.228 2.575
263 HG2 GLU 38 2HG GLU 38 20.550 6.057 2.636
264 HG3 GLU 38 3HG GLU 38 20.784 7.713 2.081
265 H GLU 39 H GLU 39 18.053 4.682 0.383
266 HA GLU 39 HA GLU 39 20.731 3.814 -0.307
267 HB2 GLU 39 2HB GLU 39 18.133 2.330 0.085
268 HB3 GLU 39 3HB GLU 39 19.625 1.540 -0.407
269 HG2 GLU 39 2HG GLU 39 19.439 3.187 2.093
270 HG3 GLU 39 3HG GLU 39 19.027 1.473 2.057
271 H CYS 40 H CYS 40 17.544 3.996 -1.838
272 HA CYS 40 HA CYS 40 18.249 2.782 -4.274
273 HB2 CYS 40 2HB CYS 40 15.981 4.226 -3.190
274 HB3 CYS 40 3HB CYS 40 16.268 4.664 -4.871
275 H GLU 41 H GLU 41 18.853 5.937 -3.008
276 HA GLU 41 HA GLU 41 19.360 7.186 -5.546
277 HB2 GLU 41 2HB GLU 41 18.617 8.454 -3.542
278 HB3 GLU 41 3HB GLU 41 20.157 8.096 -2.775
279 HG2 GLU 41 2HG GLU 41 21.320 9.545 -4.105
280 HG3 GLU 41 3HG GLU 41 20.171 9.419 -5.436
281 H ASP 42 H ASP 42 20.991 4.888 -3.856
282 HA ASP 42 HA ASP 42 23.644 5.643 -3.773
283 HB2 ASP 42 2HB ASP 42 22.240 3.037 -4.144
284 HB3 ASP 42 3HB ASP 42 23.978 3.089 -4.429
285 H ALA 43 H ALA 43 21.812 4.357 -6.520
286 HA ALA 43 HA ALA 43 23.841 4.056 -8.367
287 HB1 ALA 43 1HB ALA 43 21.108 5.130 -9.035
288 HB2 ALA 43 2HB ALA 43 22.181 4.182 -10.066
289 HB3 ALA 43 3HB ALA 43 21.426 3.436 -8.657
290 H GLU 44 H GLU 44 25.266 5.414 -9.215
291 HA GLU 44 HA GLU 44 24.909 8.277 -8.883
292 HB2 GLU 44 2HB GLU 44 27.079 7.437 -8.323
293 HB3 GLU 44 3HB GLU 44 27.216 6.597 -9.861
294 HG2 GLU 44 2HG GLU 44 28.568 8.674 -9.693
295 HG3 GLU 44 3HG GLU 44 27.445 8.641 -11.051
296 H GLY 45 H GLY 45 24.280 9.641 -10.431
297 HA2 GLY 45 2HA GLY 45 24.152 10.501 -12.616
298 HA3 GLY 45 3HA GLY 45 24.647 8.934 -13.239
299 H ALA 46 H ALA 46 22.761 7.308 -11.962
300 HA ALA 46 HA ALA 46 20.508 7.723 -13.679
301 HB1 ALA 46 1HB ALA 46 19.679 5.632 -12.803
302 HB2 ALA 46 2HB ALA 46 21.401 5.482 -13.156
303 HB3 ALA 46 3HB ALA 46 20.857 5.679 -11.490
304 H THR 47 H THR 47 18.264 7.719 -12.912
305 HA THR 47 HA THR 47 17.980 9.243 -10.404
306 HB THR 47 HB THR 47 17.469 10.549 -12.469
307 HG1 THR 47 HG1 THR 47 16.278 11.483 -10.987
308 HG21 THR 47 3HG2 THR 47 15.046 8.777 -12.728
309 HG22 THR 47 1HG2 THR 47 16.504 8.550 -13.693
310 HG23 THR 47 2HG2 THR 47 15.586 10.050 -13.823
311 H VAL 48 H VAL 48 16.387 8.677 -8.976
312 HA VAL 48 HA VAL 48 15.064 6.108 -9.497
313 HB VAL 48 HB VAL 48 15.461 7.516 -6.854
314 HG11 VAL 48 1HG1 VAL 48 13.511 5.971 -7.012
315 HG12 VAL 48 2HG1 VAL 48 14.638 4.668 -7.396
316 HG13 VAL 48 3HG1 VAL 48 14.726 5.479 -5.832
317 HG21 VAL 48 3HG2 VAL 48 16.910 5.065 -7.090
318 HG22 VAL 48 1HG2 VAL 48 17.332 6.121 -8.438
319 HG23 VAL 48 2HG2 VAL 48 17.522 6.690 -6.779
320 H LEU 49 H LEU 49 12.995 6.159 -10.045
321 HA LEU 49 HA LEU 49 11.281 8.261 -8.902
322 HB2 LEU 49 2HB LEU 49 11.972 8.416 -11.422
323 HB3 LEU 49 3HB LEU 49 10.750 7.162 -11.627
324 HG LEU 49 HG LEU 49 9.313 8.960 -10.246
325 HD11 LEU 49 1HD1 LEU 49 9.869 11.189 -11.356
326 HD12 LEU 49 2HD1 LEU 49 11.461 10.498 -11.668
327 HD13 LEU 49 3HD1 LEU 49 10.887 10.675 -10.010
328 HD21 LEU 49 3HD2 LEU 49 8.335 8.230 -12.175
329 HD22 LEU 49 1HD2 LEU 49 9.781 8.507 -13.146
330 HD23 LEU 49 2HD2 LEU 49 8.768 9.869 -12.665
331 H CYS 50 H CYS 50 9.432 7.576 -8.006
332 HA CYS 50 HA CYS 50 8.586 4.802 -8.531
333 HB2 CYS 50 2HB CYS 50 9.710 5.296 -6.254
334 HB3 CYS 50 3HB CYS 50 8.214 6.137 -5.860
335 H CYS 51 H CYS 51 6.360 4.383 -8.484
336 HA CYS 51 HA CYS 51 4.705 6.762 -8.925
337 HB2 CYS 51 2HB CYS 51 3.761 3.976 -9.483
338 HB3 CYS 51 3HB CYS 51 3.343 5.479 -10.299
339 HA PRO 52 HA PRO 52 2.452 6.245 -5.190
340 HB2 PRO 52 2HB PRO 52 0.036 7.235 -5.934
341 HB3 PRO 52 3HB PRO 52 1.453 8.258 -5.670
342 HG2 PRO 52 2HG PRO 52 0.312 7.227 -8.239
343 HG3 PRO 52 3HG PRO 52 0.931 8.845 -7.859
344 HD2 PRO 52 2HD PRO 52 2.388 7.010 -9.216
345 HD3 PRO 52 3HD PRO 52 3.128 8.207 -8.133
346 H GLU 53 H GLU 53 1.700 4.532 -8.015
347 HA GLU 53 HA GLU 53 -0.580 3.123 -6.909
348 HB2 GLU 53 2HB GLU 53 -0.754 2.033 -9.005
349 HB3 GLU 53 3HB GLU 53 -0.312 3.697 -9.363
350 HG2 GLU 53 2HG GLU 53 2.098 2.844 -9.439
351 HG3 GLU 53 3HG GLU 53 1.384 1.235 -9.519
352 H ASP 54 H ASP 54 -0.370 0.578 -7.452
353 HA ASP 54 HA ASP 54 1.888 -0.320 -5.808
354 HB2 ASP 54 2HB ASP 54 0.447 -2.468 -5.706
355 HB3 ASP 54 3HB ASP 54 -0.088 -1.057 -4.798
356 H LEU 55 H LEU 55 3.369 -1.756 -6.534
357 HA LEU 55 HA LEU 55 4.615 -2.979 -7.990
358 HB2 LEU 55 2HB LEU 55 1.958 -3.627 -9.256
359 HB3 LEU 55 3HB LEU 55 3.463 -4.520 -9.465
360 HG LEU 55 HG LEU 55 1.926 -4.281 -6.879
361 HD11 LEU 55 1HD1 LEU 55 0.677 -5.602 -8.454
362 HD12 LEU 55 2HD1 LEU 55 1.417 -6.670 -7.263
363 HD13 LEU 55 3HD1 LEU 55 2.116 -6.530 -8.876
364 HD21 LEU 55 3HD2 LEU 55 4.414 -5.784 -7.659
365 HD22 LEU 55 1HD2 LEU 55 3.460 -6.170 -6.226
366 HD23 LEU 55 2HD2 LEU 55 4.223 -4.587 -6.377
367 H CYS 56 H CYS 56 5.003 -0.543 -8.612
368 HA CYS 56 HA CYS 56 4.274 -0.082 -11.414
369 HB2 CYS 56 2HB CYS 56 3.852 1.761 -9.847
370 HB3 CYS 56 3HB CYS 56 5.554 1.776 -9.397
371 H ASN 57 H ASN 57 6.886 -1.048 -9.424
372 HA ASN 57 HA ASN 57 8.855 -0.476 -11.519
373 HB2 ASN 57 2HB ASN 57 10.550 -0.842 -9.882
374 HB3 ASN 57 3HB ASN 57 9.310 0.140 -9.107
375 HD21 ASN 57 1HD2 ASN 57 11.343 -2.291 -8.561
376 HD22 ASN 57 2HD2 ASN 57 10.463 -3.184 -7.372
Start of MODEL 19
1 H1 LEU 1 H LEU 1 2.133 0.115 0.977
2 HA LEU 1 HA LEU 1 1.582 0.205 -1.890
3 HB2 LEU 1 2HB LEU 1 3.286 1.630 -0.240
4 HB3 LEU 1 3HB LEU 1 4.358 0.525 -1.098
5 HG LEU 1 HG LEU 1 4.175 2.734 -2.179
6 HD11 LEU 1 1HD1 LEU 1 4.315 1.865 -4.268
7 HD12 LEU 1 2HD1 LEU 1 2.847 0.905 -4.091
8 HD13 LEU 1 3HD1 LEU 1 4.354 0.354 -3.359
9 HD21 LEU 1 3HD2 LEU 1 1.329 1.972 -2.803
10 HD22 LEU 1 1HD2 LEU 1 2.158 3.480 -3.192
11 HD23 LEU 1 2HD2 LEU 1 1.780 3.089 -1.514
12 H GLN 2 H GLN 2 2.606 -1.131 -3.391
13 HA GLN 2 HA GLN 2 3.931 -3.512 -2.274
14 HB2 GLN 2 2HB GLN 2 1.596 -3.292 -4.061
15 HB3 GLN 2 3HB GLN 2 2.807 -4.465 -4.562
16 HG2 GLN 2 2HG GLN 2 2.373 -4.808 -1.786
17 HG3 GLN 2 3HG GLN 2 0.799 -4.715 -2.575
18 HE21 GLN 2 1HE2 GLN 2 1.132 -5.908 -4.923
19 HE22 GLN 2 2HE2 GLN 2 1.623 -7.553 -4.732
20 H CYS 3 H CYS 3 5.535 -4.490 -3.560
21 HA CYS 3 HA CYS 3 6.422 -2.958 -5.904
22 HB2 CYS 3 2HB CYS 3 8.357 -3.993 -3.837
23 HB3 CYS 3 3HB CYS 3 8.676 -2.878 -5.161
24 H ASN 4 H ASN 4 7.742 -4.137 -7.388
25 HA ASN 4 HA ASN 4 6.974 -6.894 -7.597
26 HB2 ASN 4 2HB ASN 4 8.737 -5.131 -9.305
27 HB3 ASN 4 3HB ASN 4 8.385 -6.813 -9.692
28 HD21 ASN 4 1HD2 ASN 4 6.813 -3.728 -8.980
29 HD22 ASN 4 2HD2 ASN 4 5.461 -3.976 -10.026
30 H THR 5 H THR 5 8.674 -8.558 -8.200
31 HA THR 5 HA THR 5 11.071 -8.240 -6.517
32 HB THR 5 HB THR 5 10.906 -10.483 -5.724
33 HG1 THR 5 HG1 THR 5 9.030 -10.715 -7.786
34 HG21 THR 5 3HG2 THR 5 8.851 -10.440 -4.456
35 HG22 THR 5 1HG2 THR 5 8.128 -9.307 -5.597
36 HG23 THR 5 2HG2 THR 5 9.480 -8.798 -4.585
37 H LEU 6 H LEU 6 12.873 -9.643 -7.105
38 HA LEU 6 HA LEU 6 13.376 -9.604 -9.889
39 HB2 LEU 6 2HB LEU 6 15.493 -10.567 -9.370
40 HB3 LEU 6 3HB LEU 6 15.100 -9.391 -8.117
41 HG LEU 6 HG LEU 6 14.379 -12.196 -7.536
42 HD11 LEU 6 1HD1 LEU 6 16.716 -12.687 -6.825
43 HD12 LEU 6 2HD1 LEU 6 17.236 -11.260 -7.720
44 HD13 LEU 6 3HD1 LEU 6 16.492 -12.612 -8.573
45 HD21 LEU 6 3HD2 LEU 6 14.782 -9.747 -6.155
46 HD22 LEU 6 1HD2 LEU 6 15.947 -10.923 -5.545
47 HD23 LEU 6 2HD2 LEU 6 14.223 -11.294 -5.517
48 H ASP 7 H ASP 7 11.951 -11.933 -7.804
49 HA ASP 7 HA ASP 7 12.425 -14.173 -9.577
50 HB2 ASP 7 2HB ASP 7 12.225 -14.271 -7.009
51 HB3 ASP 7 3HB ASP 7 10.488 -14.149 -7.273
52 H GLY 8 H GLY 8 10.557 -11.580 -9.902
53 HA2 GLY 8 2HA GLY 8 8.903 -11.237 -11.514
54 HA3 GLY 8 3HA GLY 8 8.684 -12.977 -11.625
55 H GLY 9 H GLY 9 8.612 -12.579 -8.453
56 HA2 GLY 9 2HA GLY 9 5.707 -12.572 -8.388
57 HA3 GLY 9 3HA GLY 9 6.781 -12.947 -7.049
58 H THR 10 H THR 10 4.802 -11.498 -6.263
59 HA THR 10 HA THR 10 5.671 -8.685 -6.343
60 HB THR 10 HB THR 10 3.311 -8.276 -5.385
61 HG1 THR 10 HG1 THR 10 1.864 -10.019 -6.237
62 HG21 THR 10 3HG2 THR 10 2.329 -8.227 -7.620
63 HG22 THR 10 1HG2 THR 10 3.603 -9.289 -8.217
64 HG23 THR 10 2HG2 THR 10 3.998 -7.662 -7.662
65 H GLU 11 H GLU 11 5.920 -7.529 -4.442
66 HA GLU 11 HA GLU 11 5.720 -9.054 -1.935
67 HB2 GLU 11 2HB GLU 11 7.836 -8.108 -1.174
68 HB3 GLU 11 3HB GLU 11 8.066 -9.025 -2.655
69 HG2 GLU 11 2HG GLU 11 8.392 -7.111 -3.937
70 HG3 GLU 11 3HG GLU 11 7.660 -6.062 -2.725
71 H GLU 12 H GLU 12 5.241 -7.862 -0.081
72 HA GLU 12 HA GLU 12 3.891 -5.346 -0.608
73 HB2 GLU 12 2HB GLU 12 3.034 -5.568 1.679
74 HB3 GLU 12 3HB GLU 12 2.749 -7.028 0.743
75 HG2 GLU 12 2HG GLU 12 4.809 -7.990 1.802
76 HG3 GLU 12 3HG GLU 12 4.826 -6.586 2.869
77 H CYS 13 H CYS 13 4.836 -3.445 -0.348
78 HA CYS 13 HA CYS 13 7.318 -3.274 1.184
79 HB2 CYS 13 2HB CYS 13 6.002 -1.523 -0.873
80 HB3 CYS 13 3HB CYS 13 7.279 -0.886 0.158
81 H ILE 14 H ILE 14 7.524 -2.186 3.055
82 HA ILE 14 HA ILE 14 5.203 -1.461 4.518
83 HB ILE 14 HB ILE 14 8.046 -0.721 5.201
84 HG12 ILE 14 2HG1 ILE 14 6.542 -3.275 5.812
85 HG13 ILE 14 3HG1 ILE 14 7.911 -3.121 4.716
86 HG21 ILE 14 1HG2 ILE 14 6.354 -1.455 7.403
87 HG22 ILE 14 2HG2 ILE 14 7.222 0.052 7.112
88 HG23 ILE 14 3HG2 ILE 14 5.603 -0.173 6.452
89 HD11 ILE 14 3HD1 ILE 14 8.977 -3.895 6.561
90 HD12 ILE 14 1HD1 ILE 14 9.076 -2.164 6.880
91 HD13 ILE 14 2HD1 ILE 14 7.840 -3.139 7.676
92 HA PRO 15 HA PRO 15 4.803 2.670 2.906
93 HB2 PRO 15 2HB PRO 15 2.728 3.393 4.500
94 HB3 PRO 15 3HB PRO 15 2.535 2.351 3.085
95 HG2 PRO 15 2HG PRO 15 2.736 1.601 5.976
96 HG3 PRO 15 3HG PRO 15 1.644 0.970 4.730
97 HD2 PRO 15 2HD PRO 15 3.874 -0.350 5.517
98 HD3 PRO 15 3HD PRO 15 3.248 -0.436 3.857
99 H GLY 16 H GLY 16 5.785 1.700 6.001
100 HA2 GLY 16 2HA GLY 16 6.146 4.477 6.908
101 HA3 GLY 16 3HA GLY 16 6.226 3.051 7.933
102 H ILE 17 H ILE 17 7.859 1.942 5.470
103 HA ILE 17 HA ILE 17 10.413 3.166 6.291
104 HB ILE 17 HB ILE 17 9.925 0.266 5.599
105 HG12 ILE 17 2HG1 ILE 17 10.657 1.583 8.224
106 HG13 ILE 17 3HG1 ILE 17 9.091 0.884 7.827
107 HG21 ILE 17 1HG2 ILE 17 12.286 1.838 5.460
108 HG22 ILE 17 2HG2 ILE 17 12.454 0.706 6.801
109 HG23 ILE 17 3HG2 ILE 17 12.097 0.107 5.182
110 HD11 ILE 17 3HD1 ILE 17 9.852 -0.965 8.790
111 HD12 ILE 17 1HD1 ILE 17 10.834 -1.182 7.341
112 HD13 ILE 17 2HD1 ILE 17 11.520 -0.393 8.762
113 H TYR 18 H TYR 18 9.260 0.926 3.763
114 HA TYR 18 HA TYR 18 11.040 2.095 1.826
115 HB2 TYR 18 2HB TYR 18 8.847 0.065 1.371
116 HB3 TYR 18 3HB TYR 18 10.204 0.412 0.306
117 HD1 TYR 18 HD2 TYR 18 12.404 0.538 2.326
118 HD2 TYR 18 HD1 TYR 18 9.176 -2.198 1.889
119 HE1 TYR 18 HE2 TYR 18 13.733 -1.200 3.450
120 HE2 TYR 18 HE1 TYR 18 10.495 -3.944 3.013
121 HH TYR 18 HH TYR 18 12.367 -4.155 4.516
122 H ASN 19 H ASN 19 10.602 3.889 0.746
123 HA ASN 19 HA ASN 19 7.788 4.503 0.116
124 HB2 ASN 19 2HB ASN 19 8.142 6.777 0.509
125 HB3 ASN 19 3HB ASN 19 9.075 6.012 1.793
126 HD21 ASN 19 1HD2 ASN 19 11.342 5.950 1.623
127 HD22 ASN 19 2HD2 ASN 19 12.193 7.058 0.607
128 H VAL 20 H VAL 20 10.846 3.804 -1.112
129 HA VAL 20 HA VAL 20 10.134 4.933 -3.741
130 HB VAL 20 HB VAL 20 12.587 4.743 -4.267
131 HG11 VAL 20 1HG1 VAL 20 13.206 6.754 -2.863
132 HG12 VAL 20 2HG1 VAL 20 11.735 6.904 -3.826
133 HG13 VAL 20 3HG1 VAL 20 11.627 6.588 -2.094
134 HG21 VAL 20 3HG2 VAL 20 14.177 4.298 -2.639
135 HG22 VAL 20 1HG2 VAL 20 13.060 4.626 -1.315
136 HG23 VAL 20 2HG2 VAL 20 12.905 3.140 -2.252
137 H CYS 21 H CYS 21 11.269 3.648 -5.567
138 HA CYS 21 HA CYS 21 11.554 0.817 -5.097
139 HB2 CYS 21 2HB CYS 21 9.760 0.280 -6.829
140 HB3 CYS 21 3HB CYS 21 9.194 0.771 -5.236
141 H VAL 22 H VAL 22 12.624 -0.237 -6.750
142 HA VAL 22 HA VAL 22 13.271 1.331 -9.149
143 HB VAL 22 HB VAL 22 15.198 0.123 -7.202
144 HG11 VAL 22 1HG1 VAL 22 15.522 0.300 -10.173
145 HG12 VAL 22 2HG1 VAL 22 16.917 0.462 -9.104
146 HG13 VAL 22 3HG1 VAL 22 15.952 -1.015 -9.079
147 HG21 VAL 22 3HG2 VAL 22 16.314 2.197 -7.378
148 HG22 VAL 22 1HG2 VAL 22 15.435 2.632 -8.843
149 HG23 VAL 22 2HG2 VAL 22 14.596 2.584 -7.293
150 H HIS 23 H HIS 23 13.430 0.178 -11.014
151 HA HIS 23 HA HIS 23 13.161 -2.749 -10.807
152 HB2 HIS 23 2HB HIS 23 11.023 -1.928 -11.489
153 HB3 HIS 23 3HB HIS 23 11.747 -0.838 -12.668
154 HD1 HIS 23 HD1 HIS 23 10.355 -1.896 -14.578
155 HD2 HIS 23 HD2 HIS 23 12.912 -4.550 -12.661
156 HE1 HIS 23 HE1 HIS 23 10.437 -3.932 -16.050
157 H TYR 24 H TYR 24 14.978 -3.645 -11.516
158 HA TYR 24 HA TYR 24 16.464 -2.340 -13.685
159 HB2 TYR 24 2HB TYR 24 17.639 -2.871 -11.529
160 HB3 TYR 24 3HB TYR 24 17.395 -4.578 -11.879
161 HD1 TYR 24 HD2 TYR 24 18.318 -5.409 -14.177
162 HD2 TYR 24 HD1 TYR 24 19.573 -1.821 -12.264
163 HE1 TYR 24 HE2 TYR 24 20.393 -5.438 -15.496
164 HE2 TYR 24 HE1 TYR 24 21.651 -1.840 -13.580
165 HH TYR 24 HH TYR 24 22.506 -2.764 -15.658
166 H LYS 25 H LYS 25 16.111 -3.085 -15.658
167 HA LYS 25 HA LYS 25 15.689 -5.977 -16.020
168 HB2 LYS 25 2HB LYS 25 13.567 -4.733 -16.305
169 HB3 LYS 25 3HB LYS 25 14.320 -3.768 -17.568
170 HG2 LYS 25 2HG LYS 25 14.770 -6.031 -18.719
171 HG3 LYS 25 3HG LYS 25 13.544 -6.656 -17.613
172 HD2 LYS 25 2HD LYS 25 12.352 -6.085 -19.549
173 HD3 LYS 25 3HD LYS 25 12.074 -4.734 -18.448
174 HE2 LYS 25 2HE LYS 25 12.553 -3.759 -20.538
175 HE3 LYS 25 3HE LYS 25 14.029 -3.591 -19.590
176 HZ1 LYS 25 3HZ LYS 25 14.775 -4.348 -21.629
177 HZ2 LYS 25 1HZ LYS 25 13.480 -5.416 -21.840
178 HZ3 LYS 25 2HZ LYS 25 14.699 -5.774 -20.723
179 H SER 26 H SER 26 17.344 -6.799 -17.103
180 HA SER 26 HA SER 26 18.431 -5.293 -19.379
181 HB2 SER 26 2HB SER 26 19.963 -6.525 -17.099
182 HB3 SER 26 3HB SER 26 20.712 -6.288 -18.678
183 HG SER 26 HG SER 26 19.971 -4.029 -18.433
184 H GLU 27 H GLU 27 19.618 -6.654 -20.919
185 HA GLU 27 HA GLU 27 18.182 -9.075 -21.436
186 HB2 GLU 27 2HB GLU 27 20.656 -8.146 -22.882
187 HB3 GLU 27 3HB GLU 27 19.358 -9.159 -23.497
188 HG2 GLU 27 2HG GLU 27 17.843 -7.145 -23.170
189 HG3 GLU 27 3HG GLU 27 19.322 -6.210 -22.957
190 H ASP 28 H ASP 28 20.956 -8.318 -19.655
191 HA ASP 28 HA ASP 28 22.021 -11.044 -19.885
192 HB2 ASP 28 2HB ASP 28 23.373 -8.706 -19.961
193 HB3 ASP 28 3HB ASP 28 23.449 -9.043 -18.234
194 H GLU 29 H GLU 29 20.394 -8.873 -17.742
195 HA GLU 29 HA GLU 29 19.900 -10.997 -15.871
196 HB2 GLU 29 2HB GLU 29 20.924 -10.065 -13.945
197 HB3 GLU 29 3HB GLU 29 22.155 -10.069 -15.200
198 HG2 GLU 29 2HG GLU 29 21.392 -7.644 -15.636
199 HG3 GLU 29 3HG GLU 29 20.658 -7.760 -14.038
200 H GLU 30 H GLU 30 18.473 -10.241 -14.060
201 HA GLU 30 HA GLU 30 17.107 -7.727 -14.429
202 HB2 GLU 30 2HB GLU 30 16.017 -9.116 -16.133
203 HB3 GLU 30 3HB GLU 30 15.641 -10.327 -14.915
204 HG2 GLU 30 2HG GLU 30 14.281 -8.617 -13.727
205 HG3 GLU 30 3HG GLU 30 14.559 -7.526 -15.083
206 H TYR 31 H TYR 31 16.597 -6.991 -12.482
207 HA TYR 31 HA TYR 31 15.516 -8.728 -10.446
208 HB2 TYR 31 2HB TYR 31 17.225 -8.219 -8.765
209 HB3 TYR 31 3HB TYR 31 17.926 -9.073 -10.135
210 HD1 TYR 31 HD2 TYR 31 17.525 -5.702 -8.633
211 HD2 TYR 31 HD1 TYR 31 19.719 -8.145 -11.339
212 HE1 TYR 31 HE2 TYR 31 19.195 -3.913 -8.885
213 HE2 TYR 31 HE1 TYR 31 21.395 -6.364 -11.598
214 HH TYR 31 HH TYR 31 22.212 -4.403 -10.298
215 H LYS 32 H LYS 32 14.886 -7.503 -8.488
216 HA LYS 32 HA LYS 32 14.620 -4.617 -8.923
217 HB2 LYS 32 2HB LYS 32 12.325 -6.466 -8.245
218 HB3 LYS 32 3HB LYS 32 12.237 -4.710 -8.273
219 HG2 LYS 32 2HG LYS 32 11.401 -5.157 -10.334
220 HG3 LYS 32 3HG LYS 32 13.116 -5.063 -10.741
221 HD2 LYS 32 2HD LYS 32 13.302 -7.317 -11.069
222 HD3 LYS 32 3HD LYS 32 12.031 -7.701 -9.906
223 HE2 LYS 32 2HE LYS 32 11.182 -6.217 -12.311
224 HE3 LYS 32 3HE LYS 32 11.727 -7.872 -12.580
225 HZ1 LYS 32 3HZ LYS 32 9.689 -8.477 -11.981
226 HZ2 LYS 32 1HZ LYS 32 9.298 -6.934 -11.410
227 HZ3 LYS 32 2HZ LYS 32 10.089 -8.035 -10.398
228 H SER 33 H SER 33 14.882 -3.434 -7.121
229 HA SER 33 HA SER 33 14.267 -4.372 -4.504
230 HB2 SER 33 2HB SER 33 16.346 -4.862 -3.613
231 HB3 SER 33 3HB SER 33 16.533 -5.502 -5.246
232 HG SER 33 HG SER 33 18.201 -4.222 -5.299
233 H CYS 34 H CYS 34 14.365 -2.742 -2.958
234 HA CYS 34 HA CYS 34 15.726 -0.319 -3.179
235 HB2 CYS 34 2HB CYS 34 13.738 -0.389 -5.067
236 HB3 CYS 34 3HB CYS 34 12.930 0.406 -3.720
237 H GLY 35 H GLY 35 14.064 1.483 -1.983
238 HA2 GLY 35 2HA GLY 35 12.342 0.601 0.004
239 HA3 GLY 35 3HA GLY 35 13.960 0.506 0.683
240 H ILE 36 H ILE 36 15.257 2.498 0.658
241 HA ILE 36 HA ILE 36 13.525 4.847 1.040
242 HB ILE 36 HB ILE 36 15.575 5.710 2.348
243 HG12 ILE 36 2HG1 ILE 36 16.132 2.738 2.457
244 HG13 ILE 36 3HG1 ILE 36 17.089 3.898 1.542
245 HG21 ILE 36 1HG2 ILE 36 14.445 5.190 4.220
246 HG22 ILE 36 2HG2 ILE 36 13.271 4.502 3.100
247 HG23 ILE 36 3HG2 ILE 36 14.465 3.461 3.875
248 HD11 ILE 36 3HD1 ILE 36 17.218 5.065 3.924
249 HD12 ILE 36 1HD1 ILE 36 16.978 3.400 4.451
250 HD13 ILE 36 2HD1 ILE 36 18.346 3.809 3.416
251 H GLN 37 H GLN 37 13.984 6.764 0.050
252 HA GLN 37 HA GLN 37 15.248 6.803 -2.402
253 HB2 GLN 37 2HB GLN 37 13.642 8.515 -1.530
254 HB3 GLN 37 3HB GLN 37 14.951 9.182 -0.564
255 HG2 GLN 37 2HG GLN 37 15.346 10.517 -2.292
256 HG3 GLN 37 3HG GLN 37 16.036 9.100 -3.082
257 HE21 GLN 37 1HE2 GLN 37 14.402 7.709 -4.234
258 HE22 GLN 37 2HE2 GLN 37 13.187 8.531 -5.146
259 H GLU 38 H GLU 38 16.617 7.134 0.765
260 HA GLU 38 HA GLU 38 19.053 8.379 0.023
261 HB2 GLU 38 2HB GLU 38 18.146 6.800 2.407
262 HB3 GLU 38 3HB GLU 38 19.837 7.247 2.233
263 HG2 GLU 38 2HG GLU 38 18.774 8.874 3.604
264 HG3 GLU 38 3HG GLU 38 19.132 9.620 2.048
265 H GLU 39 H GLU 39 18.028 5.014 0.289
266 HA GLU 39 HA GLU 39 20.671 4.032 -0.385
267 HB2 GLU 39 2HB GLU 39 19.933 1.963 0.246
268 HB3 GLU 39 3HB GLU 39 18.794 2.952 1.150
269 HG2 GLU 39 2HG GLU 39 17.175 2.692 -0.710
270 HG3 GLU 39 3HG GLU 39 18.306 1.583 -1.484
271 H CYS 40 H CYS 40 17.617 4.643 -1.948
272 HA CYS 40 HA CYS 40 18.204 3.144 -4.319
273 HB2 CYS 40 2HB CYS 40 15.996 4.745 -3.289
274 HB3 CYS 40 3HB CYS 40 16.272 5.014 -5.007
275 H GLU 41 H GLU 41 18.429 6.534 -3.353
276 HA GLU 41 HA GLU 41 19.268 7.436 -5.942
277 HB2 GLU 41 2HB GLU 41 18.110 8.796 -4.079
278 HB3 GLU 41 3HB GLU 41 19.713 8.930 -3.370
279 HG2 GLU 41 2HG GLU 41 19.465 9.640 -6.225
280 HG3 GLU 41 3HG GLU 41 18.704 10.726 -5.064
281 H ASP 42 H ASP 42 20.788 5.651 -3.613
282 HA ASP 42 HA ASP 42 23.317 6.703 -3.296
283 HB2 ASP 42 2HB ASP 42 22.335 4.564 -2.293
284 HB3 ASP 42 3HB ASP 42 22.836 3.766 -3.781
285 H ALA 43 H ALA 43 21.906 5.194 -6.104
286 HA ALA 43 HA ALA 43 24.273 4.644 -7.532
287 HB1 ALA 43 1HB ALA 43 22.235 3.626 -8.234
288 HB2 ALA 43 2HB ALA 43 21.467 5.196 -8.477
289 HB3 ALA 43 3HB ALA 43 22.778 4.682 -9.539
290 H GLU 44 H GLU 44 25.565 5.868 -8.793
291 HA GLU 44 HA GLU 44 25.122 8.752 -8.744
292 HB2 GLU 44 2HB GLU 44 27.445 8.945 -9.430
293 HB3 GLU 44 3HB GLU 44 27.315 7.872 -8.044
294 HG2 GLU 44 2HG GLU 44 27.359 5.952 -9.669
295 HG3 GLU 44 3HG GLU 44 27.781 7.125 -10.915
296 H GLY 45 H GLY 45 24.459 9.881 -10.455
297 HA2 GLY 45 2HA GLY 45 24.327 10.475 -12.723
298 HA3 GLY 45 3HA GLY 45 24.957 8.891 -13.151
299 H ALA 46 H ALA 46 23.184 7.232 -11.832
300 HA ALA 46 HA ALA 46 20.958 7.302 -13.617
301 HB1 ALA 46 1HB ALA 46 21.907 5.482 -11.467
302 HB2 ALA 46 2HB ALA 46 20.222 5.367 -11.978
303 HB3 ALA 46 3HB ALA 46 21.518 5.138 -13.153
304 H THR 47 H THR 47 18.701 7.255 -12.956
305 HA THR 47 HA THR 47 18.195 8.876 -10.546
306 HB THR 47 HB THR 47 16.417 8.989 -12.966
307 HG1 THR 47 HG1 THR 47 17.640 10.712 -13.726
308 HG21 THR 47 3HG2 THR 47 16.941 11.282 -11.153
309 HG22 THR 47 1HG2 THR 47 15.995 9.939 -10.515
310 HG23 THR 47 2HG2 THR 47 15.450 10.795 -11.957
311 H VAL 48 H VAL 48 16.492 8.311 -9.253
312 HA VAL 48 HA VAL 48 15.145 5.781 -9.934
313 HB VAL 48 HB VAL 48 16.481 5.520 -7.957
314 HG11 VAL 48 1HG1 VAL 48 15.001 7.882 -6.804
315 HG12 VAL 48 2HG1 VAL 48 16.228 6.913 -5.985
316 HG13 VAL 48 3HG1 VAL 48 16.668 7.902 -7.378
317 HG21 VAL 48 3HG2 VAL 48 13.602 5.854 -7.121
318 HG22 VAL 48 1HG2 VAL 48 14.245 4.464 -7.995
319 HG23 VAL 48 2HG2 VAL 48 14.810 4.816 -6.362
320 H LEU 49 H LEU 49 13.027 5.828 -10.283
321 HA LEU 49 HA LEU 49 11.454 8.037 -9.138
322 HB2 LEU 49 2HB LEU 49 11.700 8.588 -11.425
323 HB3 LEU 49 3HB LEU 49 11.392 6.928 -11.931
324 HG LEU 49 HG LEU 49 9.158 8.155 -10.493
325 HD11 LEU 49 1HD1 LEU 49 9.325 10.157 -11.498
326 HD12 LEU 49 2HD1 LEU 49 8.693 9.295 -12.900
327 HD13 LEU 49 3HD1 LEU 49 10.429 9.562 -12.738
328 HD21 LEU 49 3HD2 LEU 49 9.669 6.393 -12.812
329 HD22 LEU 49 1HD2 LEU 49 8.184 7.343 -12.847
330 HD23 LEU 49 2HD2 LEU 49 8.494 6.241 -11.505
331 H CYS 50 H CYS 50 9.619 7.465 -8.135
332 HA CYS 50 HA CYS 50 8.654 4.704 -8.492
333 HB2 CYS 50 2HB CYS 50 9.892 5.309 -6.281
334 HB3 CYS 50 3HB CYS 50 8.402 6.154 -5.875
335 H CYS 51 H CYS 51 6.424 4.368 -8.357
336 HA CYS 51 HA CYS 51 4.831 6.787 -8.819
337 HB2 CYS 51 2HB CYS 51 3.796 4.010 -9.263
338 HB3 CYS 51 3HB CYS 51 3.370 5.502 -10.094
339 HA PRO 52 HA PRO 52 2.685 6.454 -5.002
340 HB2 PRO 52 2HB PRO 52 0.268 7.472 -5.701
341 HB3 PRO 52 3HB PRO 52 1.715 8.470 -5.522
342 HG2 PRO 52 2HG PRO 52 0.466 7.376 -8.012
343 HG3 PRO 52 3HG PRO 52 1.132 8.992 -7.712
344 HD2 PRO 52 2HD PRO 52 2.502 7.076 -9.048
345 HD3 PRO 52 3HD PRO 52 3.304 8.293 -8.035
346 H GLU 53 H GLU 53 1.804 4.657 -7.735
347 HA GLU 53 HA GLU 53 -0.429 3.310 -6.437
348 HB2 GLU 53 2HB GLU 53 0.794 3.164 -9.179
349 HB3 GLU 53 3HB GLU 53 -0.339 1.938 -8.626
350 HG2 GLU 53 2HG GLU 53 -1.663 3.442 -9.794
351 HG3 GLU 53 3HG GLU 53 -1.909 3.885 -8.105
352 H ASP 54 H ASP 54 -0.312 0.766 -7.026
353 HA ASP 54 HA ASP 54 2.024 -0.186 -5.547
354 HB2 ASP 54 2HB ASP 54 0.632 -2.357 -5.513
355 HB3 ASP 54 3HB ASP 54 0.060 -0.995 -4.552
356 H LEU 55 H LEU 55 3.393 -1.781 -6.299
357 HA LEU 55 HA LEU 55 4.616 -2.939 -7.826
358 HB2 LEU 55 2HB LEU 55 1.963 -3.241 -9.226
359 HB3 LEU 55 3HB LEU 55 3.410 -4.202 -9.528
360 HG LEU 55 HG LEU 55 1.694 -4.215 -7.050
361 HD11 LEU 55 1HD1 LEU 55 1.239 -6.499 -7.648
362 HD12 LEU 55 2HD1 LEU 55 2.340 -6.400 -9.022
363 HD13 LEU 55 3HD1 LEU 55 0.850 -5.457 -9.017
364 HD21 LEU 55 3HD2 LEU 55 4.328 -5.570 -7.602
365 HD22 LEU 55 1HD2 LEU 55 3.241 -6.012 -6.285
366 HD23 LEU 55 2HD2 LEU 55 3.968 -4.405 -6.327
367 H CYS 56 H CYS 56 5.287 -0.545 -8.193
368 HA CYS 56 HA CYS 56 4.682 0.307 -10.933
369 HB2 CYS 56 2HB CYS 56 4.428 2.008 -9.191
370 HB3 CYS 56 3HB CYS 56 6.098 1.763 -8.690
371 H ASN 57 H ASN 57 7.125 -1.158 -9.031
372 HA ASN 57 HA ASN 57 9.115 -0.716 -11.156
373 HB2 ASN 57 2HB ASN 57 10.838 -1.092 -9.546
374 HB3 ASN 57 3HB ASN 57 9.692 0.023 -8.807
375 HD21 ASN 57 1HD2 ASN 57 11.561 -2.534 -8.181
376 HD22 ASN 57 2HD2 ASN 57 10.669 -3.270 -6.898
Start of MODEL 20
1 H1 LEU 1 H LEU 1 1.205 -0.440 0.593
2 HA LEU 1 HA LEU 1 1.398 0.015 -2.310
3 HB2 LEU 1 2HB LEU 1 2.668 1.315 -0.208
4 HB3 LEU 1 3HB LEU 1 3.896 0.233 -0.861
5 HG LEU 1 HG LEU 1 3.965 2.528 -1.803
6 HD11 LEU 1 1HD1 LEU 1 4.289 1.842 -4.074
7 HD12 LEU 1 2HD1 LEU 1 3.256 0.431 -3.847
8 HD13 LEU 1 3HD1 LEU 1 4.809 0.529 -3.017
9 HD21 LEU 1 3HD2 LEU 1 2.265 3.368 -3.192
10 HD22 LEU 1 1HD2 LEU 1 1.432 2.759 -1.762
11 HD23 LEU 1 2HD2 LEU 1 1.430 1.815 -3.252
12 H GLN 2 H GLN 2 2.489 -1.413 -3.581
13 HA GLN 2 HA GLN 2 3.666 -3.763 -2.252
14 HB2 GLN 2 2HB GLN 2 1.871 -3.673 -4.676
15 HB3 GLN 2 3HB GLN 2 2.840 -5.079 -4.254
16 HG2 GLN 2 2HG GLN 2 1.675 -5.212 -2.096
17 HG3 GLN 2 3HG GLN 2 0.678 -3.836 -2.568
18 HE21 GLN 2 1HE2 GLN 2 1.764 -6.696 -4.355
19 HE22 GLN 2 2HE2 GLN 2 0.182 -7.250 -4.771
20 H CYS 3 H CYS 3 5.414 -4.767 -3.312
21 HA CYS 3 HA CYS 3 6.588 -3.258 -5.546
22 HB2 CYS 3 2HB CYS 3 8.286 -4.370 -3.324
23 HB3 CYS 3 3HB CYS 3 8.716 -3.173 -4.541
24 H ASN 4 H ASN 4 7.728 -4.450 -7.044
25 HA ASN 4 HA ASN 4 7.123 -7.263 -7.118
26 HB2 ASN 4 2HB ASN 4 8.695 -5.516 -9.025
27 HB3 ASN 4 3HB ASN 4 8.250 -7.192 -9.331
28 HD21 ASN 4 1HD2 ASN 4 6.940 -3.987 -8.698
29 HD22 ASN 4 2HD2 ASN 4 5.451 -4.231 -9.541
30 H THR 5 H THR 5 8.855 -8.850 -7.735
31 HA THR 5 HA THR 5 11.389 -8.267 -6.352
32 HB THR 5 HB THR 5 11.428 -10.581 -5.501
33 HG1 THR 5 HG1 THR 5 9.753 -11.941 -5.845
34 HG21 THR 5 3HG2 THR 5 10.105 -10.174 -3.645
35 HG22 THR 5 1HG2 THR 5 8.820 -9.429 -4.594
36 HG23 THR 5 2HG2 THR 5 10.320 -8.550 -4.297
37 H LEU 6 H LEU 6 13.202 -9.577 -7.033
38 HA LEU 6 HA LEU 6 13.373 -9.828 -9.841
39 HB2 LEU 6 2HB LEU 6 15.597 -10.406 -9.524
40 HB3 LEU 6 3HB LEU 6 15.231 -9.390 -8.133
41 HG LEU 6 HG LEU 6 15.302 -12.405 -8.077
42 HD11 LEU 6 1HD1 LEU 6 17.518 -11.546 -8.522
43 HD12 LEU 6 2HD1 LEU 6 17.419 -12.117 -6.857
44 HD13 LEU 6 3HD1 LEU 6 17.364 -10.388 -7.200
45 HD21 LEU 6 3HD2 LEU 6 13.915 -11.727 -6.331
46 HD22 LEU 6 1HD2 LEU 6 14.868 -10.278 -6.009
47 HD23 LEU 6 2HD2 LEU 6 15.502 -11.865 -5.572
48 H ASP 7 H ASP 7 12.272 -11.961 -7.410
49 HA ASP 7 HA ASP 7 12.810 -14.408 -8.809
50 HB2 ASP 7 2HB ASP 7 12.414 -14.037 -6.264
51 HB3 ASP 7 3HB ASP 7 10.706 -14.120 -6.686
52 H GLY 8 H GLY 8 10.703 -11.928 -9.396
53 HA2 GLY 8 2HA GLY 8 9.185 -11.895 -11.200
54 HA3 GLY 8 3HA GLY 8 9.066 -13.646 -11.102
55 H GLY 9 H GLY 9 8.803 -12.830 -8.009
56 HA2 GLY 9 2HA GLY 9 5.879 -12.880 -8.132
57 HA3 GLY 9 3HA GLY 9 6.863 -13.246 -6.723
58 H THR 10 H THR 10 4.870 -11.734 -6.097
59 HA THR 10 HA THR 10 5.884 -8.965 -6.094
60 HB THR 10 HB THR 10 3.377 -8.485 -5.457
61 HG1 THR 10 HG1 THR 10 1.982 -9.980 -6.519
62 HG21 THR 10 3HG2 THR 10 4.518 -7.642 -7.459
63 HG22 THR 10 1HG2 THR 10 2.862 -8.128 -7.821
64 HG23 THR 10 2HG2 THR 10 4.208 -9.172 -8.280
65 H GLU 11 H GLU 11 5.805 -7.789 -4.166
66 HA GLU 11 HA GLU 11 5.181 -9.330 -1.739
67 HB2 GLU 11 2HB GLU 11 7.151 -8.429 -0.635
68 HB3 GLU 11 3HB GLU 11 7.619 -9.300 -2.089
69 HG2 GLU 11 2HG GLU 11 8.202 -7.375 -3.219
70 HG3 GLU 11 3HG GLU 11 7.206 -6.347 -2.190
71 H GLU 12 H GLU 12 4.412 -8.150 0.023
72 HA GLU 12 HA GLU 12 3.182 -5.620 -0.692
73 HB2 GLU 12 2HB GLU 12 2.942 -7.274 1.827
74 HB3 GLU 12 3HB GLU 12 1.978 -5.855 1.442
75 HG2 GLU 12 2HG GLU 12 1.232 -7.121 -0.633
76 HG3 GLU 12 3HG GLU 12 1.937 -8.547 0.125
77 H CYS 13 H CYS 13 4.213 -3.774 -0.362
78 HA CYS 13 HA CYS 13 6.371 -3.624 1.582
79 HB2 CYS 13 2HB CYS 13 5.369 -1.571 -0.402
80 HB3 CYS 13 3HB CYS 13 6.816 -1.415 0.588
81 H ILE 14 H ILE 14 6.119 -2.858 3.567
82 HA ILE 14 HA ILE 14 3.621 -1.905 4.513
83 HB ILE 14 HB ILE 14 4.911 -1.365 6.614
84 HG12 ILE 14 2HG1 ILE 14 7.194 -2.763 5.218
85 HG13 ILE 14 3HG1 ILE 14 7.082 -1.010 5.329
86 HG21 ILE 14 1HG2 ILE 14 5.119 -3.648 7.262
87 HG22 ILE 14 2HG2 ILE 14 3.781 -3.544 6.118
88 HG23 ILE 14 3HG2 ILE 14 5.346 -4.164 5.591
89 HD11 ILE 14 3HD1 ILE 14 8.530 -1.826 7.052
90 HD12 ILE 14 1HD1 ILE 14 7.050 -1.216 7.791
91 HD13 ILE 14 2HD1 ILE 14 7.296 -2.954 7.613
92 HA PRO 15 HA PRO 15 3.910 2.405 3.667
93 HB2 PRO 15 2HB PRO 15 2.256 3.343 5.605
94 HB3 PRO 15 3HB PRO 15 1.669 2.501 4.166
95 HG2 PRO 15 2HG PRO 15 2.106 1.444 6.933
96 HG3 PRO 15 3HG PRO 15 0.751 1.156 5.826
97 HD2 PRO 15 2HD PRO 15 2.757 -0.630 6.169
98 HD3 PRO 15 3HD PRO 15 1.909 -0.433 4.622
99 H GLY 16 H GLY 16 5.061 0.973 6.523
100 HA2 GLY 16 2HA GLY 16 5.899 3.434 7.799
101 HA3 GLY 16 3HA GLY 16 6.257 1.801 8.340
102 H ILE 17 H ILE 17 7.495 0.741 6.118
103 HA ILE 17 HA ILE 17 9.890 2.444 5.879
104 HB ILE 17 HB ILE 17 9.954 -0.553 5.669
105 HG12 ILE 17 2HG1 ILE 17 10.385 1.078 8.182
106 HG13 ILE 17 3HG1 ILE 17 8.977 0.070 7.864
107 HG21 ILE 17 1HG2 ILE 17 11.887 1.641 5.661
108 HG22 ILE 17 2HG2 ILE 17 12.322 0.303 6.723
109 HG23 ILE 17 3HG2 ILE 17 12.021 0.007 5.011
110 HD11 ILE 17 3HD1 ILE 17 11.454 -0.659 9.019
111 HD12 ILE 17 1HD1 ILE 17 10.036 -1.664 8.722
112 HD13 ILE 17 2HD1 ILE 17 11.289 -1.520 7.489
113 H TYR 18 H TYR 18 11.170 2.131 3.920
114 HA TYR 18 HA TYR 18 11.432 2.034 1.663
115 HB2 TYR 18 2HB TYR 18 9.139 0.069 1.635
116 HB3 TYR 18 3HB TYR 18 10.418 0.241 0.438
117 HD1 TYR 18 HD1 TYR 18 12.801 0.408 2.193
118 HD2 TYR 18 HD2 TYR 18 9.388 -2.123 2.404
119 HE1 TYR 18 HE1 TYR 18 14.138 -1.286 3.373
120 HE2 TYR 18 HE2 TYR 18 10.715 -3.824 3.586
121 HH TYR 18 HH TYR 18 12.998 -3.627 5.137
122 H ASN 19 H ASN 19 10.887 3.899 0.739
123 HA ASN 19 HA ASN 19 8.029 4.422 0.243
124 HB2 ASN 19 2HB ASN 19 8.929 6.893 0.117
125 HB3 ASN 19 3HB ASN 19 8.567 6.155 1.675
126 HD21 ASN 19 1HD2 ASN 19 10.896 7.676 -0.216
127 HD22 ASN 19 2HD2 ASN 19 12.259 7.430 0.817
128 H VAL 20 H VAL 20 11.063 3.858 -1.123
129 HA VAL 20 HA VAL 20 10.193 4.974 -3.709
130 HB VAL 20 HB VAL 20 12.617 4.880 -4.350
131 HG11 VAL 20 1HG1 VAL 20 11.465 6.676 -2.290
132 HG12 VAL 20 2HG1 VAL 20 13.195 6.808 -2.614
133 HG13 VAL 20 3HG1 VAL 20 12.032 7.037 -3.921
134 HG21 VAL 20 3HG2 VAL 20 13.074 3.243 -2.381
135 HG22 VAL 20 1HG2 VAL 20 14.299 4.430 -2.829
136 HG23 VAL 20 2HG2 VAL 20 13.260 4.719 -1.434
137 H CYS 21 H CYS 21 11.260 3.741 -5.600
138 HA CYS 21 HA CYS 21 11.617 0.904 -5.151
139 HB2 CYS 21 2HB CYS 21 9.820 0.362 -6.870
140 HB3 CYS 21 3HB CYS 21 9.250 0.858 -5.280
141 H VAL 22 H VAL 22 12.674 -0.131 -6.828
142 HA VAL 22 HA VAL 22 13.309 1.472 -9.207
143 HB VAL 22 HB VAL 22 15.229 0.310 -7.245
144 HG11 VAL 22 1HG1 VAL 22 15.926 -0.962 -9.077
145 HG12 VAL 22 2HG1 VAL 22 15.601 0.341 -10.222
146 HG13 VAL 22 3HG1 VAL 22 16.972 0.456 -9.119
147 HG21 VAL 22 3HG2 VAL 22 16.316 2.356 -7.439
148 HG22 VAL 22 1HG2 VAL 22 15.639 2.674 -9.036
149 HG23 VAL 22 2HG2 VAL 22 14.616 2.796 -7.605
150 H HIS 23 H HIS 23 13.450 0.346 -11.088
151 HA HIS 23 HA HIS 23 13.144 -2.581 -10.917
152 HB2 HIS 23 2HB HIS 23 11.056 -1.568 -11.648
153 HB3 HIS 23 3HB HIS 23 11.900 -0.675 -12.910
154 HD1 HIS 23 HD1 HIS 23 10.111 -1.948 -14.481
155 HD2 HIS 23 HD2 HIS 23 13.066 -4.303 -12.755
156 HE1 HIS 23 HE1 HIS 23 10.123 -4.087 -15.803
157 H TYR 24 H TYR 24 14.953 -3.524 -11.581
158 HA TYR 24 HA TYR 24 16.548 -2.238 -13.682
159 HB2 TYR 24 2HB TYR 24 17.640 -2.823 -11.500
160 HB3 TYR 24 3HB TYR 24 17.350 -4.520 -11.868
161 HD1 TYR 24 HD2 TYR 24 18.304 -5.353 -14.161
162 HD2 TYR 24 HD1 TYR 24 19.642 -1.852 -12.147
163 HE1 TYR 24 HE2 TYR 24 20.417 -5.447 -15.416
164 HE2 TYR 24 HE1 TYR 24 21.759 -1.935 -13.397
165 HH TYR 24 HH TYR 24 22.971 -4.413 -14.798
166 H LYS 25 H LYS 25 16.244 -2.950 -15.675
167 HA LYS 25 HA LYS 25 15.763 -5.824 -16.089
168 HB2 LYS 25 2HB LYS 25 13.672 -4.543 -16.409
169 HB3 LYS 25 3HB LYS 25 14.473 -3.564 -17.631
170 HG2 LYS 25 2HG LYS 25 14.736 -5.480 -19.064
171 HG3 LYS 25 3HG LYS 25 14.086 -6.545 -17.815
172 HD2 LYS 25 2HD LYS 25 12.234 -6.219 -19.150
173 HD3 LYS 25 3HD LYS 25 12.018 -4.952 -17.940
174 HE2 LYS 25 2HE LYS 25 12.565 -3.271 -19.408
175 HE3 LYS 25 3HE LYS 25 13.549 -4.328 -20.419
176 HZ1 LYS 25 3HZ LYS 25 11.823 -4.674 -21.740
177 HZ2 LYS 25 1HZ LYS 25 10.926 -3.552 -20.847
178 HZ3 LYS 25 2HZ LYS 25 10.862 -5.194 -20.449
179 H SER 26 H SER 26 17.433 -6.661 -17.137
180 HA SER 26 HA SER 26 18.611 -5.138 -19.358
181 HB2 SER 26 2HB SER 26 20.052 -6.472 -17.075
182 HB3 SER 26 3HB SER 26 20.846 -6.203 -18.626
183 HG SER 26 HG SER 26 21.247 -4.303 -17.821
184 H GLU 27 H GLU 27 19.792 -6.492 -20.904
185 HA GLU 27 HA GLU 27 18.308 -8.864 -21.510
186 HB2 GLU 27 2HB GLU 27 19.663 -8.980 -23.516
187 HB3 GLU 27 3HB GLU 27 19.129 -7.325 -23.259
188 HG2 GLU 27 2HG GLU 27 21.303 -6.727 -22.379
189 HG3 GLU 27 3HG GLU 27 21.847 -8.396 -22.538
190 H ASP 28 H ASP 28 21.061 -8.218 -19.653
191 HA ASP 28 HA ASP 28 22.062 -10.965 -19.924
192 HB2 ASP 28 2HB ASP 28 23.487 -8.686 -19.940
193 HB3 ASP 28 3HB ASP 28 23.489 -9.007 -18.208
194 H GLU 29 H GLU 29 20.437 -8.806 -17.768
195 HA GLU 29 HA GLU 29 19.856 -10.960 -15.957
196 HB2 GLU 29 2HB GLU 29 20.833 -10.051 -13.977
197 HB3 GLU 29 3HB GLU 29 22.101 -10.133 -15.192
198 HG2 GLU 29 2HG GLU 29 21.621 -7.703 -15.676
199 HG3 GLU 29 3HG GLU 29 20.624 -7.707 -14.222
200 H GLU 30 H GLU 30 18.404 -10.212 -14.161
201 HA GLU 30 HA GLU 30 17.098 -7.664 -14.509
202 HB2 GLU 30 2HB GLU 30 15.991 -8.940 -16.258
203 HB3 GLU 30 3HB GLU 30 15.632 -10.235 -15.124
204 HG2 GLU 30 2HG GLU 30 14.110 -8.851 -13.915
205 HG3 GLU 30 3HG GLU 30 14.583 -7.431 -14.846
206 H TYR 31 H TYR 31 16.556 -6.955 -12.560
207 HA TYR 31 HA TYR 31 15.401 -8.710 -10.581
208 HB2 TYR 31 2HB TYR 31 17.081 -8.267 -8.855
209 HB3 TYR 31 3HB TYR 31 17.802 -9.097 -10.229
210 HD1 TYR 31 HD1 TYR 31 17.398 -5.749 -8.673
211 HD2 TYR 31 HD2 TYR 31 19.643 -8.171 -11.355
212 HE1 TYR 31 HE1 TYR 31 19.095 -3.977 -8.842
213 HE2 TYR 31 HE2 TYR 31 21.347 -6.407 -11.531
214 HH TYR 31 HH TYR 31 21.912 -4.330 -10.975
215 H LYS 32 H LYS 32 14.752 -7.510 -8.613
216 HA LYS 32 HA LYS 32 14.499 -4.617 -9.044
217 HB2 LYS 32 2HB LYS 32 12.256 -6.540 -8.418
218 HB3 LYS 32 3HB LYS 32 12.120 -4.798 -8.213
219 HG2 LYS 32 2HG LYS 32 11.913 -4.420 -10.420
220 HG3 LYS 32 3HG LYS 32 13.057 -5.693 -10.855
221 HD2 LYS 32 2HD LYS 32 11.438 -7.340 -10.824
222 HD3 LYS 32 3HD LYS 32 10.387 -6.431 -9.736
223 HE2 LYS 32 2HE LYS 32 10.257 -4.760 -11.744
224 HE3 LYS 32 3HE LYS 32 10.763 -6.161 -12.687
225 HZ1 LYS 32 3HZ LYS 32 8.247 -5.674 -11.284
226 HZ2 LYS 32 1HZ LYS 32 8.816 -7.267 -11.323
227 HZ3 LYS 32 2HZ LYS 32 8.527 -6.436 -12.768
228 H SER 33 H SER 33 14.810 -3.419 -7.260
229 HA SER 33 HA SER 33 14.253 -4.319 -4.621
230 HB2 SER 33 2HB SER 33 16.395 -4.719 -3.751
231 HB3 SER 33 3HB SER 33 16.431 -5.545 -5.309
232 HG SER 33 HG SER 33 18.293 -4.279 -5.020
233 H CYS 34 H CYS 34 14.472 -2.679 -3.075
234 HA CYS 34 HA CYS 34 15.835 -0.270 -3.397
235 HB2 CYS 34 2HB CYS 34 13.750 -0.342 -5.174
236 HB3 CYS 34 3HB CYS 34 13.018 0.469 -3.793
237 H GLY 35 H GLY 35 14.287 1.560 -2.121
238 HA2 GLY 35 2HA GLY 35 12.677 0.676 -0.022
239 HA3 GLY 35 3HA GLY 35 14.337 0.646 0.554
240 H ILE 36 H ILE 36 15.559 2.662 0.456
241 HA ILE 36 HA ILE 36 13.784 4.983 0.819
242 HB ILE 36 HB ILE 36 15.882 5.901 2.057
243 HG12 ILE 36 2HG1 ILE 36 16.355 2.917 2.244
244 HG13 ILE 36 3HG1 ILE 36 17.376 4.058 1.376
245 HG21 ILE 36 1HG2 ILE 36 14.361 3.681 3.399
246 HG22 ILE 36 2HG2 ILE 36 15.003 5.155 4.122
247 HG23 ILE 36 3HG2 ILE 36 13.637 5.241 3.009
248 HD11 ILE 36 3HD1 ILE 36 17.263 5.140 3.890
249 HD12 ILE 36 1HD1 ILE 36 17.288 3.405 4.204
250 HD13 ILE 36 2HD1 ILE 36 18.570 4.147 3.247
251 H GLN 37 H GLN 37 14.259 6.927 -0.152
252 HA GLN 37 HA GLN 37 15.410 6.954 -2.653
253 HB2 GLN 37 2HB GLN 37 13.914 8.714 -1.788
254 HB3 GLN 37 3HB GLN 37 15.205 9.287 -0.740
255 HG2 GLN 37 2HG GLN 37 14.989 10.677 -2.719
256 HG3 GLN 37 3HG GLN 37 16.550 9.859 -2.680
257 HE21 GLN 37 1HE2 GLN 37 13.370 8.657 -3.647
258 HE22 GLN 37 2HE2 GLN 37 13.815 8.266 -5.269
259 H GLU 38 H GLU 38 16.935 7.344 0.460
260 HA GLU 38 HA GLU 38 19.385 8.432 -0.461
261 HB2 GLU 38 2HB GLU 38 18.719 6.874 2.040
262 HB3 GLU 38 3HB GLU 38 20.269 7.651 1.748
263 HG2 GLU 38 2HG GLU 38 17.588 8.953 2.105
264 HG3 GLU 38 3HG GLU 38 19.015 9.099 3.129
265 H GLU 39 H GLU 39 18.219 5.143 0.028
266 HA GLU 39 HA GLU 39 20.785 3.990 -0.662
267 HB2 GLU 39 2HB GLU 39 18.094 2.806 0.003
268 HB3 GLU 39 3HB GLU 39 19.451 1.820 -0.524
269 HG2 GLU 39 2HG GLU 39 19.843 3.685 1.758
270 HG3 GLU 39 3HG GLU 39 18.943 2.193 2.020
271 H CYS 40 H CYS 40 17.805 4.811 -2.222
272 HA CYS 40 HA CYS 40 18.275 3.151 -4.538
273 HB2 CYS 40 2HB CYS 40 16.114 4.818 -3.514
274 HB3 CYS 40 3HB CYS 40 16.360 5.034 -5.244
275 H GLU 41 H GLU 41 18.865 6.446 -3.555
276 HA GLU 41 HA GLU 41 19.523 7.350 -6.215
277 HB2 GLU 41 2HB GLU 41 18.560 8.809 -4.380
278 HB3 GLU 41 3HB GLU 41 20.138 8.739 -3.608
279 HG2 GLU 41 2HG GLU 41 19.715 10.781 -4.977
280 HG3 GLU 41 3HG GLU 41 21.169 9.882 -5.407
281 H ASP 42 H ASP 42 21.054 5.361 -4.128
282 HA ASP 42 HA ASP 42 23.673 6.269 -3.928
283 HB2 ASP 42 2HB ASP 42 22.299 3.689 -3.729
284 HB3 ASP 42 3HB ASP 42 23.971 3.551 -4.266
285 H ALA 43 H ALA 43 21.947 5.019 -6.662
286 HA ALA 43 HA ALA 43 24.257 4.402 -8.240
287 HB1 ALA 43 1HB ALA 43 21.678 3.678 -8.421
288 HB2 ALA 43 2HB ALA 43 21.709 4.980 -9.610
289 HB3 ALA 43 3HB ALA 43 22.805 3.608 -9.776
290 H GLU 44 H GLU 44 25.613 5.936 -8.896
291 HA GLU 44 HA GLU 44 24.723 8.658 -9.297
292 HB2 GLU 44 2HB GLU 44 26.956 7.931 -8.267
293 HB3 GLU 44 3HB GLU 44 27.467 7.582 -9.913
294 HG2 GLU 44 2HG GLU 44 26.943 9.943 -10.503
295 HG3 GLU 44 3HG GLU 44 26.638 10.247 -8.793
296 H GLY 45 H GLY 45 24.167 9.556 -11.175
297 HA2 GLY 45 2HA GLY 45 24.580 9.932 -13.524
298 HA3 GLY 45 3HA GLY 45 25.022 8.237 -13.669
299 H ALA 46 H ALA 46 22.857 7.105 -12.271
300 HA ALA 46 HA ALA 46 20.789 7.404 -14.301
301 HB1 ALA 46 1HB ALA 46 20.818 5.188 -14.078
302 HB2 ALA 46 2HB ALA 46 21.703 5.273 -12.554
303 HB3 ALA 46 3HB ALA 46 19.947 5.431 -12.563
304 H THR 47 H THR 47 18.508 7.458 -13.664
305 HA THR 47 HA THR 47 18.121 9.086 -11.239
306 HB THR 47 HB THR 47 16.225 9.054 -13.577
307 HG1 THR 47 HG1 THR 47 18.555 9.728 -14.021
308 HG21 THR 47 3HG2 THR 47 16.491 10.512 -11.056
309 HG22 THR 47 1HG2 THR 47 15.079 10.282 -12.086
310 HG23 THR 47 2HG2 THR 47 16.241 11.557 -12.453
311 H VAL 48 H VAL 48 16.777 8.376 -9.701
312 HA VAL 48 HA VAL 48 15.289 5.898 -10.224
313 HB VAL 48 HB VAL 48 16.108 7.137 -7.593
314 HG11 VAL 48 1HG1 VAL 48 14.307 5.966 -6.884
315 HG12 VAL 48 2HG1 VAL 48 14.310 4.898 -8.289
316 HG13 VAL 48 3HG1 VAL 48 15.441 4.619 -6.965
317 HG21 VAL 48 3HG2 VAL 48 17.232 4.594 -7.900
318 HG22 VAL 48 1HG2 VAL 48 17.473 5.409 -9.445
319 HG23 VAL 48 2HG2 VAL 48 18.066 6.146 -7.957
320 H LEU 49 H LEU 49 13.177 6.060 -10.536
321 HA LEU 49 HA LEU 49 11.697 8.178 -9.127
322 HB2 LEU 49 2HB LEU 49 12.125 8.368 -11.722
323 HB3 LEU 49 3HB LEU 49 10.778 7.233 -11.797
324 HG LEU 49 HG LEU 49 9.644 9.061 -10.239
325 HD11 LEU 49 1HD1 LEU 49 11.340 10.631 -9.987
326 HD12 LEU 49 2HD1 LEU 49 10.338 11.313 -11.268
327 HD13 LEU 49 3HD1 LEU 49 11.849 10.498 -11.671
328 HD21 LEU 49 3HD2 LEU 49 8.469 8.580 -12.136
329 HD22 LEU 49 1HD2 LEU 49 9.864 8.805 -13.193
330 HD23 LEU 49 2HD2 LEU 49 9.019 10.208 -12.536
331 H CYS 50 H CYS 50 9.859 7.568 -8.128
332 HA CYS 50 HA CYS 50 8.890 4.827 -8.607
333 HB2 CYS 50 2HB CYS 50 10.171 5.149 -6.439
334 HB3 CYS 50 3HB CYS 50 8.861 6.205 -5.922
335 H CYS 51 H CYS 51 6.662 4.476 -8.415
336 HA CYS 51 HA CYS 51 5.055 6.909 -8.719
337 HB2 CYS 51 2HB CYS 51 3.943 4.186 -9.230
338 HB3 CYS 51 3HB CYS 51 3.600 5.707 -10.047
339 HA PRO 52 HA PRO 52 3.034 6.414 -4.851
340 HB2 PRO 52 2HB PRO 52 0.597 7.460 -5.428
341 HB3 PRO 52 3HB PRO 52 2.050 8.451 -5.253
342 HG2 PRO 52 2HG PRO 52 0.719 7.462 -7.746
343 HG3 PRO 52 3HG PRO 52 1.397 9.064 -7.399
344 HD2 PRO 52 2HD PRO 52 2.721 7.208 -8.860
345 HD3 PRO 52 3HD PRO 52 3.557 8.381 -7.822
346 H GLU 53 H GLU 53 2.054 4.741 -7.632
347 HA GLU 53 HA GLU 53 -0.169 3.366 -6.372
348 HB2 GLU 53 2HB GLU 53 1.098 3.293 -9.088
349 HB3 GLU 53 3HB GLU 53 0.031 1.990 -8.583
350 HG2 GLU 53 2HG GLU 53 -1.254 3.560 -9.822
351 HG3 GLU 53 3HG GLU 53 -1.727 3.684 -8.128
352 H ASP 54 H ASP 54 -0.057 0.826 -6.963
353 HA ASP 54 HA ASP 54 2.283 -0.143 -5.487
354 HB2 ASP 54 2HB ASP 54 0.990 -1.910 -4.724
355 HB3 ASP 54 3HB ASP 54 -0.211 -0.628 -4.856
356 H LEU 55 H LEU 55 3.624 -1.730 -6.264
357 HA LEU 55 HA LEU 55 4.776 -2.939 -7.807
358 HB2 LEU 55 2HB LEU 55 2.064 -3.314 -9.067
359 HB3 LEU 55 3HB LEU 55 3.500 -4.288 -9.377
360 HG LEU 55 HG LEU 55 1.946 -4.155 -6.793
361 HD11 LEU 55 1HD1 LEU 55 1.511 -6.549 -7.315
362 HD12 LEU 55 2HD1 LEU 55 2.221 -6.284 -8.907
363 HD13 LEU 55 3HD1 LEU 55 0.757 -5.419 -8.440
364 HD21 LEU 55 3HD2 LEU 55 4.233 -4.461 -6.226
365 HD22 LEU 55 1HD2 LEU 55 4.471 -5.616 -7.538
366 HD23 LEU 55 2HD2 LEU 55 3.469 -6.049 -6.153
367 H CYS 56 H CYS 56 5.295 -0.473 -8.273
368 HA CYS 56 HA CYS 56 4.614 0.184 -11.047
369 HB2 CYS 56 2HB CYS 56 4.279 1.961 -9.396
370 HB3 CYS 56 3HB CYS 56 5.967 1.845 -8.911
371 H ASN 57 H ASN 57 7.164 -1.017 -9.098
372 HA ASN 57 HA ASN 57 9.163 -0.458 -11.169
373 HB2 ASN 57 2HB ASN 57 10.827 -1.134 -9.513
374 HB3 ASN 57 3HB ASN 57 9.767 0.103 -8.844
375 HD21 ASN 57 1HD2 ASN 57 11.387 -2.428 -7.921
376 HD22 ASN 57 2HD2 ASN 57 10.316 -3.135 -6.764
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