Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
568907 | 2md8 RC | 19473 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 26.451 9.034 6.318
2 H2 GLY 1 HT2 GLY 1 26.010 10.325 7.320
3 H3 GLY 1 HT3 GLY 1 24.850 9.573 6.348
4 HA2 GLY 1 HA1 GLY 1 26.293 8.300 8.601
5 HA3 GLY 1 HA2 GLY 1 24.636 8.888 8.656
6 H ALA 2 HN ALA 2 23.033 7.562 8.035
7 HA ALA 2 HA ALA 2 23.770 5.107 6.574
8 HB1 ALA 2 HB1 ALA 2 21.891 5.236 8.932
9 HB2 ALA 2 HB2 ALA 2 23.535 4.605 8.973
10 HB3 ALA 2 HB3 ALA 2 22.304 3.796 8.001
11 H MET 3 HN MET 3 22.328 7.801 6.103
12 HA MET 3 HA MET 3 20.732 8.573 4.699
13 HB2 MET 3 HB2 MET 3 21.230 6.695 3.224
14 HB3 MET 3 HB1 MET 3 20.153 5.658 4.151
15 HG2 MET 3 HG2 MET 3 19.100 6.399 2.094
16 HG3 MET 3 HG1 MET 3 18.250 7.028 3.503
17 HE1 MET 3 HE1 MET 3 21.068 9.544 0.857
18 HE2 MET 3 HE2 MET 3 20.726 7.837 0.588
19 HE3 MET 3 HE3 MET 3 21.658 8.338 1.998
20 H GLY 4 HN GLY 4 19.414 5.710 6.365
21 HA2 GLY 4 HA2 GLY 4 17.903 6.719 8.291
22 HA3 GLY 4 HA1 GLY 4 16.943 7.178 6.890
23 H MET 5 HN MET 5 15.779 5.595 8.718
24 HA MET 5 HA MET 5 16.072 2.821 7.912
25 HB2 MET 5 HB2 MET 5 15.714 3.476 10.299
26 HB3 MET 5 HB1 MET 5 14.116 4.060 9.859
27 HG2 MET 5 HG2 MET 5 13.470 1.807 9.182
28 HG3 MET 5 HG1 MET 5 15.073 1.216 9.615
29 HE1 MET 5 HE1 MET 5 16.005 1.126 12.072
30 HE2 MET 5 HE2 MET 5 15.118 1.674 13.493
31 HE3 MET 5 HE3 MET 5 15.686 2.845 12.305
32 H ARG 6 HN ARG 6 15.470 3.467 5.675
33 HA ARG 6 HA ARG 6 12.544 3.531 5.344
34 HB2 ARG 6 HB2 ARG 6 14.637 4.958 3.696
35 HB3 ARG 6 HB1 ARG 6 12.947 4.826 3.235
36 HG2 ARG 6 HG2 ARG 6 13.881 6.104 5.795
37 HG3 ARG 6 HG1 ARG 6 13.605 6.992 4.297
38 HD2 ARG 6 HD2 ARG 6 11.274 6.287 4.289
39 HD3 ARG 6 HD1 ARG 6 11.538 5.347 5.756
40 HE ARG 6 HE ARG 6 12.298 7.873 6.435
41 HH11 ARG 6 HH11 ARG 6 9.393 6.493 5.067
42 HH12 ARG 6 HH12 ARG 6 8.334 7.633 5.834
43 HH21 ARG 6 HH21 ARG 6 10.905 9.380 7.444
44 HH22 ARG 6 HH22 ARG 6 9.196 9.284 7.167
45 H ASN 7 HN ASN 7 13.629 1.134 5.506
46 HA ASN 7 HA ASN 7 13.628 0.210 2.708
47 HB2 ASN 7 HB2 ASN 7 15.100 -0.989 5.065
48 HB3 ASN 7 HB1 ASN 7 14.889 -1.809 3.525
49 HD21 ASN 7 HD21 ASN 7 16.513 0.762 5.207
50 HD22 ASN 7 HD22 ASN 7 17.657 1.122 3.961
51 H LEU 8 HN LEU 8 11.321 0.284 3.002
52 HA LEU 8 HA LEU 8 10.122 -1.548 4.901
53 HB2 LEU 8 HB2 LEU 8 8.834 0.170 2.782
54 HB3 LEU 8 HB1 LEU 8 7.999 -0.673 4.073
55 HG LEU 8 HG LEU 8 9.992 1.558 4.493
56 HD11 LEU 8 HD11 LEU 8 8.053 2.923 5.079
57 HD12 LEU 8 HD12 LEU 8 6.981 1.600 4.617
58 HD13 LEU 8 HD13 LEU 8 7.987 2.388 3.399
59 HD21 LEU 8 HD21 LEU 8 9.138 1.550 6.786
60 HD22 LEU 8 HD22 LEU 8 9.885 0.011 6.362
61 HD23 LEU 8 HD23 LEU 8 8.129 0.156 6.402
62 H ASP 9 HN ASP 9 11.446 -3.263 3.656
63 HA ASP 9 HA ASP 9 9.805 -4.323 1.458
64 HB2 ASP 9 HB2 ASP 9 12.159 -3.817 0.872
65 HB3 ASP 9 HB1 ASP 9 12.692 -4.923 2.129
66 H GLU 10 HN GLU 10 10.133 -4.560 4.636
67 HA GLU 10 HA GLU 10 10.240 -7.422 4.951
68 HB2 GLU 10 HB2 GLU 10 9.472 -5.300 6.962
69 HB3 GLU 10 HB1 GLU 10 9.886 -6.973 7.318
70 HG2 GLU 10 HG2 GLU 10 12.148 -6.554 6.402
71 HG3 GLU 10 HG1 GLU 10 11.715 -4.859 6.209
72 H CYS 11 HN CYS 11 8.065 -5.547 3.650
73 HA CYS 11 HA CYS 11 5.590 -6.151 4.760
74 HB2 CYS 11 HB2 CYS 11 5.942 -4.431 3.086
75 HB3 CYS 11 HB1 CYS 11 6.414 -5.637 1.904
76 H GLU 12 HN GLU 12 5.194 -8.219 5.301
77 HA GLU 12 HA GLU 12 5.811 -10.504 3.802
78 HB2 GLU 12 HB2 GLU 12 5.226 -10.585 6.175
79 HB3 GLU 12 HB1 GLU 12 3.595 -10.050 5.797
80 HG2 GLU 12 HG2 GLU 12 3.288 -12.111 4.455
81 HG3 GLU 12 HG1 GLU 12 4.869 -12.656 5.013
82 H VAL 13 HN VAL 13 3.158 -8.246 3.665
83 HA VAL 13 HA VAL 13 1.290 -9.890 2.376
84 HB VAL 13 HB VAL 13 1.544 -6.887 2.354
85 HG11 VAL 13 HG11 VAL 13 -0.719 -8.673 1.485
86 HG12 VAL 13 HG12 VAL 13 0.188 -7.535 0.488
87 HG13 VAL 13 HG13 VAL 13 -0.876 -6.941 1.763
88 HG21 VAL 13 HG21 VAL 13 -0.203 -6.990 4.072
89 HG22 VAL 13 HG22 VAL 13 1.262 -7.829 4.575
90 HG23 VAL 13 HG23 VAL 13 -0.136 -8.751 4.024
91 H CYS 14 HN CYS 14 3.648 -7.569 1.038
92 HA CYS 14 HA CYS 14 2.912 -7.990 -1.652
93 HB2 CYS 14 HB2 CYS 14 5.345 -6.884 -0.317
94 HB3 CYS 14 HB1 CYS 14 5.391 -7.228 -2.044
95 H ARG 15 HN ARG 15 4.977 -9.752 0.511
96 HA ARG 15 HA ARG 15 6.179 -11.407 -1.496
97 HB2 ARG 15 HB2 ARG 15 5.828 -11.895 1.465
98 HB3 ARG 15 HB1 ARG 15 6.881 -12.814 0.397
99 HG2 ARG 15 HG2 ARG 15 8.270 -10.884 0.028
100 HG3 ARG 15 HG1 ARG 15 7.157 -9.870 0.952
101 HD2 ARG 15 HD2 ARG 15 7.611 -11.223 2.949
102 HD3 ARG 15 HD1 ARG 15 8.746 -12.201 2.024
103 HE ARG 15 HE ARG 15 9.662 -9.645 1.722
104 HH11 ARG 15 HH11 ARG 15 8.938 -11.698 4.463
105 HH12 ARG 15 HH12 ARG 15 10.113 -10.945 5.495
106 HH21 ARG 15 HH21 ARG 15 11.207 -8.652 3.077
107 HH22 ARG 15 HH22 ARG 15 11.408 -9.216 4.708
108 H ASP 16 HN ASP 16 3.415 -11.607 0.627
109 HA ASP 16 HA ASP 16 2.542 -14.183 -0.189
110 HB2 ASP 16 HB2 ASP 16 1.926 -13.048 1.951
111 HB3 ASP 16 HB1 ASP 16 0.920 -11.938 1.032
112 H GLY 17 HN GLY 17 2.630 -11.315 -1.859
113 HA2 GLY 17 HA2 GLY 17 1.902 -10.924 -4.036
114 HA3 GLY 17 HA1 GLY 17 0.898 -12.363 -3.929
115 H GLY 18 HN GLY 18 0.692 -10.065 -1.402
116 HA2 GLY 18 HA2 GLY 18 -2.072 -9.589 -1.826
117 HA3 GLY 18 HA1 GLY 18 -1.050 -8.772 -0.658
118 H GLU 19 HN GLU 19 -3.055 -7.448 -1.955
119 HA GLU 19 HA GLU 19 -2.010 -6.051 -4.259
120 HB2 GLU 19 HB2 GLU 19 -4.548 -5.655 -2.665
121 HB3 GLU 19 HB1 GLU 19 -4.176 -4.861 -4.189
122 HG2 GLU 19 HG2 GLU 19 -4.233 -6.937 -5.365
123 HG3 GLU 19 HG1 GLU 19 -4.363 -7.844 -3.860
124 H LEU 20 HN LEU 20 -1.830 -3.722 -4.339
125 HA LEU 20 HA LEU 20 -1.130 -2.508 -1.744
126 HB2 LEU 20 HB2 LEU 20 0.772 -3.174 -3.373
127 HB3 LEU 20 HB1 LEU 20 0.218 -1.833 -4.352
128 HG LEU 20 HG LEU 20 1.103 -1.503 -1.482
129 HD11 LEU 20 HD11 LEU 20 2.951 -2.415 -2.781
130 HD12 LEU 20 HD12 LEU 20 3.238 -0.717 -2.396
131 HD13 LEU 20 HD13 LEU 20 2.712 -1.178 -4.015
132 HD21 LEU 20 HD21 LEU 20 -0.292 0.305 -2.427
133 HD22 LEU 20 HD22 LEU 20 0.868 0.487 -3.743
134 HD23 LEU 20 HD23 LEU 20 1.356 0.830 -2.085
135 H PHE 21 HN PHE 21 -2.229 -0.650 -1.327
136 HA PHE 21 HA PHE 21 -3.646 0.598 -3.596
137 HB2 PHE 21 HB2 PHE 21 -4.607 0.360 -0.732
138 HB3 PHE 21 HB1 PHE 21 -5.488 1.122 -2.055
139 HD1 PHE 21 HD2 PHE 21 -6.061 -0.376 -4.082
140 HD2 PHE 21 HD1 PHE 21 -4.915 -1.895 -0.266
141 HE1 PHE 21 HE2 PHE 21 -7.075 -2.546 -4.639
142 HE2 PHE 21 HE1 PHE 21 -5.926 -4.065 -0.826
143 HZ PHE 21 HZ PHE 21 -7.007 -4.390 -3.012
144 H CYS 22 HN CYS 22 -1.344 1.683 -3.379
145 HA CYS 22 HA CYS 22 -1.839 4.297 -2.226
146 HB2 CYS 22 HB2 CYS 22 0.229 2.416 -1.187
147 HB3 CYS 22 HB1 CYS 22 0.659 4.118 -1.317
148 H CYS 23 HN CYS 23 -0.641 5.934 -3.182
149 HA CYS 23 HA CYS 23 0.441 5.539 -5.758
150 HB2 CYS 23 HB2 CYS 23 1.132 7.897 -4.004
151 HB3 CYS 23 HB1 CYS 23 0.912 7.862 -5.754
152 H ASP 24 HN ASP 24 2.770 6.081 -6.350
153 HA ASP 24 HA ASP 24 4.579 4.427 -5.037
154 HB2 ASP 24 HB2 ASP 24 5.021 5.173 -7.294
155 HB3 ASP 24 HB1 ASP 24 5.122 6.849 -6.765
156 H THR 25 HN THR 25 4.258 7.952 -4.791
157 HA THR 25 HA THR 25 6.216 8.409 -2.869
158 HB THR 25 HB THR 25 3.609 9.907 -3.142
159 HG1 THR 25 HG1 THR 25 4.786 11.174 -4.661
160 HG21 THR 25 HG21 THR 25 4.934 10.478 -1.146
161 HG22 THR 25 HG22 THR 25 4.880 11.809 -2.301
162 HG23 THR 25 HG23 THR 25 6.327 10.807 -2.178
163 H CYS 26 HN CYS 26 2.789 7.640 -2.455
164 HA CYS 26 HA CYS 26 2.777 7.832 0.365
165 HB2 CYS 26 HB2 CYS 26 0.900 6.353 -1.492
166 HB3 CYS 26 HB1 CYS 26 0.575 6.721 0.200
167 H SER 27 HN SER 27 3.435 5.213 -1.869
168 HA SER 27 HA SER 27 3.436 3.133 0.078
169 HB2 SER 27 HB2 SER 27 3.095 2.770 -2.362
170 HB3 SER 27 HB1 SER 27 4.775 3.218 -2.638
171 HG SER 27 HG SER 27 4.991 1.114 -2.440
172 H ARG 28 HN ARG 28 5.875 5.290 -1.263
173 HA ARG 28 HA ARG 28 8.178 4.014 -0.319
174 HB2 ARG 28 HB2 ARG 28 7.574 6.905 -0.885
175 HB3 ARG 28 HB1 ARG 28 9.170 6.357 -0.403
176 HG2 ARG 28 HG2 ARG 28 9.329 4.969 -2.366
177 HG3 ARG 28 HG1 ARG 28 7.681 5.389 -2.832
178 HD2 ARG 28 HD2 ARG 28 9.272 6.695 -4.111
179 HD3 ARG 28 HD1 ARG 28 8.353 7.738 -3.027
180 HE ARG 28 HE ARG 28 10.726 6.962 -1.741
181 HH11 ARG 28 HH11 ARG 28 9.629 8.971 -4.389
182 HH12 ARG 28 HH12 ARG 28 10.986 10.049 -4.302
183 HH21 ARG 28 HH21 ARG 28 12.500 8.400 -1.603
184 HH22 ARG 28 HH22 ARG 28 12.616 9.729 -2.713
185 H VAL 29 HN VAL 29 5.826 5.922 1.328
186 HA VAL 29 HA VAL 29 7.626 6.188 3.623
187 HB VAL 29 HB VAL 29 6.031 7.955 4.439
188 HG11 VAL 29 HG11 VAL 29 6.917 9.669 2.897
189 HG12 VAL 29 HG12 VAL 29 7.470 8.381 1.823
190 HG13 VAL 29 HG13 VAL 29 8.152 8.535 3.443
191 HG21 VAL 29 HG21 VAL 29 4.539 9.000 2.855
192 HG22 VAL 29 HG22 VAL 29 4.113 7.297 3.020
193 HG23 VAL 29 HG23 VAL 29 5.005 7.850 1.605
194 H PHE 30 HN PHE 30 4.320 5.171 2.766
195 HA PHE 30 HA PHE 30 4.143 4.048 5.493
196 HB2 PHE 30 HB2 PHE 30 1.790 4.998 3.855
197 HB3 PHE 30 HB1 PHE 30 1.777 4.471 5.531
198 HD1 PHE 30 HD2 PHE 30 3.857 5.931 6.834
199 HD2 PHE 30 HD1 PHE 30 1.253 7.219 3.715
200 HE1 PHE 30 HE2 PHE 30 4.145 8.265 7.554
201 HE2 PHE 30 HE1 PHE 30 1.541 9.552 4.438
202 HZ PHE 30 HZ PHE 30 2.987 10.072 6.357
203 H HIS 31 HN HIS 31 5.167 2.676 3.198
204 HA HIS 31 HA HIS 31 3.463 1.137 1.713
205 HB2 HIS 31 HB2 HIS 31 5.940 1.177 1.514
206 HB3 HIS 31 HB1 HIS 31 6.044 0.174 2.953
207 HD1 HIS 31 HD1 HIS 31 4.698 -0.021 -0.615
208 HD2 HIS 31 HD2 HIS 31 5.974 -2.474 2.492
209 HE1 HIS 31 HE1 HIS 31 4.816 -2.374 -1.556
210 H GLU 32 HN GLU 32 4.658 0.353 4.959
211 HA GLU 32 HA GLU 32 3.551 -2.220 5.107
212 HB2 GLU 32 HB2 GLU 32 4.239 -0.268 7.308
213 HB3 GLU 32 HB1 GLU 32 3.893 -1.974 7.558
214 HG2 GLU 32 HG2 GLU 32 6.135 -0.946 5.838
215 HG3 GLU 32 HG1 GLU 32 6.313 -1.406 7.530
216 H ASP 33 HN ASP 33 2.307 0.922 5.998
217 HA ASP 33 HA ASP 33 -0.077 -0.103 7.230
218 HB2 ASP 33 HB2 ASP 33 1.209 2.110 7.711
219 HB3 ASP 33 HB1 ASP 33 0.301 2.736 6.341
220 H CYS 34 HN CYS 34 0.927 0.835 4.084
221 HA CYS 34 HA CYS 34 -1.606 1.484 2.979
222 HB2 CYS 34 HB2 CYS 34 1.084 0.821 1.823
223 HB3 CYS 34 HB1 CYS 34 -0.322 1.017 0.778
224 H HIS 35 HN HIS 35 -0.421 -1.448 4.008
225 HA HIS 35 HA HIS 35 -2.109 -2.922 2.097
226 HB2 HIS 35 HB2 HIS 35 0.140 -3.910 3.858
227 HB3 HIS 35 HB1 HIS 35 -0.872 -4.942 2.857
228 HD1 HIS 35 HD1 HIS 35 -0.345 -5.000 0.310
229 HD2 HIS 35 HD2 HIS 35 1.982 -2.331 2.485
230 HE1 HIS 35 HE1 HIS 35 1.605 -4.376 -1.175
231 H ILE 36 HN ILE 36 -2.625 -1.442 4.799
232 HA ILE 36 HA ILE 36 -4.161 -3.645 6.003
233 HB ILE 36 HB ILE 36 -2.667 -1.489 7.507
234 HG12 ILE 36 HG12 ILE 36 -2.212 -4.479 7.401
235 HG13 ILE 36 HG11 ILE 36 -1.219 -3.274 6.590
236 HG21 ILE 36 HG21 ILE 36 -3.400 -2.663 9.530
237 HG22 ILE 36 HG22 ILE 36 -4.348 -3.771 8.540
238 HG23 ILE 36 HG23 ILE 36 -4.771 -2.060 8.599
239 HD11 ILE 36 HD11 ILE 36 -0.547 -2.360 8.728
240 HD12 ILE 36 HD12 ILE 36 -0.194 -4.085 8.651
241 HD13 ILE 36 HD13 ILE 36 -1.587 -3.508 9.566
242 HA PRO 37 HA PRO 37 -5.829 -4.138 6.904
243 HB2 PRO 37 HB2 PRO 37 -8.413 -4.596 6.330
244 HB3 PRO 37 HB1 PRO 37 -7.932 -3.725 7.796
245 HG2 PRO 37 HG2 PRO 37 -8.959 -2.651 5.199
246 HG3 PRO 37 HG1 PRO 37 -9.358 -2.155 6.855
247 HD2 PRO 37 HD2 PRO 37 -7.564 -0.837 5.230
248 HD3 PRO 37 HD1 PRO 37 -7.532 -0.782 7.003
249 HA PRO 38 HA PRO 38 -5.412 -5.643 2.720
250 HB2 PRO 38 HB2 PRO 38 -4.589 -8.129 3.278
251 HB3 PRO 38 HB1 PRO 38 -3.563 -6.726 3.594
252 HG2 PRO 38 HG2 PRO 38 -5.146 -8.383 5.493
253 HG3 PRO 38 HG1 PRO 38 -3.587 -7.579 5.734
254 HD2 PRO 38 HD2 PRO 38 -6.098 -6.629 6.580
255 HD3 PRO 38 HD1 PRO 38 -4.594 -5.688 6.505
256 H VAL 39 HN VAL 39 -8.070 -5.691 3.994
257 HA VAL 39 HA VAL 39 -9.151 -8.055 2.660
258 HB VAL 39 HB VAL 39 -9.056 -8.737 4.956
259 HG11 VAL 39 HG11 VAL 39 -10.179 -7.470 6.752
260 HG12 VAL 39 HG12 VAL 39 -10.466 -6.155 5.611
261 HG13 VAL 39 HG13 VAL 39 -8.816 -6.604 6.045
262 HG21 VAL 39 HG21 VAL 39 -11.427 -9.106 5.463
263 HG22 VAL 39 HG22 VAL 39 -11.069 -9.385 3.758
264 HG23 VAL 39 HG23 VAL 39 -11.867 -7.895 4.260
265 H GLU 40 HN GLU 40 -10.564 -7.447 1.219
266 HA GLU 40 HA GLU 40 -12.123 -6.289 0.046
267 HB2 GLU 40 HB2 GLU 40 -13.221 -5.740 2.811
268 HB3 GLU 40 HB1 GLU 40 -14.112 -5.570 1.304
269 HG2 GLU 40 HG2 GLU 40 -13.075 -8.099 2.553
270 HG3 GLU 40 HG1 GLU 40 -14.755 -7.624 2.305
271 H ALA 41 HN ALA 41 -9.872 -4.820 0.236
272 HA ALA 41 HA ALA 41 -10.753 -2.108 0.944
273 HB1 ALA 41 HB1 ALA 41 -8.681 -2.848 2.017
274 HB2 ALA 41 HB2 ALA 41 -8.390 -1.495 0.925
275 HB3 ALA 41 HB3 ALA 41 -7.960 -3.133 0.434
276 H GLU 42 HN GLU 42 -11.468 -0.914 -0.664
277 HA GLU 42 HA GLU 42 -11.725 0.082 -2.672
278 HB2 GLU 42 HB2 GLU 42 -8.857 -0.761 -3.119
279 HB3 GLU 42 HB1 GLU 42 -9.727 0.457 -4.043
280 HG2 GLU 42 HG2 GLU 42 -8.904 0.579 -1.156
281 HG3 GLU 42 HG1 GLU 42 -8.335 1.583 -2.488
282 H ARG 43 HN ARG 43 -9.561 -1.525 -4.638
283 HA ARG 43 HA ARG 43 -9.655 -3.129 -6.229
284 HB2 ARG 43 HB2 ARG 43 -11.861 -4.244 -4.506
285 HB3 ARG 43 HB1 ARG 43 -11.227 -5.052 -5.929
286 HG2 ARG 43 HG2 ARG 43 -9.045 -5.225 -4.890
287 HG3 ARG 43 HG1 ARG 43 -9.631 -4.344 -3.475
288 HD2 ARG 43 HD2 ARG 43 -11.260 -6.098 -3.048
289 HD3 ARG 43 HD1 ARG 43 -10.713 -6.972 -4.473
290 HE ARG 43 HE ARG 43 -8.445 -6.838 -3.094
291 HH11 ARG 43 HH11 ARG 43 -11.699 -7.610 -2.058
292 HH12 ARG 43 HH12 ARG 43 -11.189 -8.680 -0.790
293 HH21 ARG 43 HH21 ARG 43 -7.759 -8.238 -1.419
294 HH22 ARG 43 HH22 ARG 43 -8.938 -9.028 -0.419
295 H THR 44 HN THR 44 -11.832 -0.766 -6.018
296 HA THR 44 HA THR 44 -12.943 -1.443 -8.611
297 HB THR 44 HB THR 44 -14.838 -0.808 -6.338
298 HG1 THR 44 HG1 THR 44 -13.866 -3.207 -7.376
299 HG21 THR 44 HG21 THR 44 -15.355 -1.629 -9.202
300 HG22 THR 44 HG22 THR 44 -15.598 -0.015 -8.536
301 HG23 THR 44 HG23 THR 44 -16.584 -1.361 -7.968
302 HA PRO 45 HA PRO 45 -11.583 -0.719 -9.734
303 HB2 PRO 45 HB2 PRO 45 -9.882 1.355 -10.765
304 HB3 PRO 45 HB1 PRO 45 -11.151 0.468 -11.615
305 HG2 PRO 45 HG2 PRO 45 -11.281 3.151 -11.036
306 HG3 PRO 45 HG1 PRO 45 -12.702 2.114 -11.280
307 HD2 PRO 45 HD2 PRO 45 -11.436 3.011 -8.705
308 HD3 PRO 45 HD1 PRO 45 -13.158 2.915 -9.143
309 H TRP 46 HN TRP 46 -9.740 2.100 -8.590
310 HA TRP 46 HA TRP 46 -8.292 0.565 -6.651
311 HB2 TRP 46 HB2 TRP 46 -7.070 -0.037 -8.739
312 HB3 TRP 46 HB1 TRP 46 -6.776 1.672 -9.035
313 HD1 TRP 46 HD1 TRP 46 -5.673 -1.202 -6.764
314 HE1 TRP 46 HE1 TRP 46 -3.473 -0.540 -5.600
315 HE3 TRP 46 HE3 TRP 46 -5.415 3.691 -8.238
316 HZ2 TRP 46 HZ2 TRP 46 -1.850 1.753 -5.346
317 HZ3 TRP 46 HZ3 TRP 46 -3.505 5.047 -7.491
318 HH2 TRP 46 HH2 TRP 46 -1.761 4.096 -6.075
319 H ASN 47 HN ASN 47 -7.814 1.901 -5.014
320 HA ASN 47 HA ASN 47 -7.385 4.732 -5.582
321 HB2 ASN 47 HB2 ASN 47 -9.446 3.632 -3.664
322 HB3 ASN 47 HB1 ASN 47 -8.830 5.277 -3.549
323 HD21 ASN 47 HD21 ASN 47 -10.819 3.079 -5.326
324 HD22 ASN 47 HD22 ASN 47 -11.560 4.257 -6.357
325 H CYS 48 HN CYS 48 -6.151 5.804 -4.069
326 HA CYS 48 HA CYS 48 -4.452 4.122 -2.430
327 HB2 CYS 48 HB2 CYS 48 -3.375 5.823 -3.750
328 HB3 CYS 48 HB1 CYS 48 -4.453 7.061 -3.133
329 H ILE 49 HN ILE 49 -5.099 3.623 -0.441
330 HA ILE 49 HA ILE 49 -7.383 4.736 0.728
331 HB ILE 49 HB ILE 49 -6.705 3.508 2.817
332 HG12 ILE 49 HG12 ILE 49 -4.368 2.690 1.071
333 HG13 ILE 49 HG11 ILE 49 -4.294 3.534 2.613
334 HG21 ILE 49 HG21 ILE 49 -8.173 2.505 1.198
335 HG22 ILE 49 HG22 ILE 49 -7.054 1.282 1.800
336 HG23 ILE 49 HG23 ILE 49 -6.804 1.999 0.210
337 HD11 ILE 49 HD11 ILE 49 -5.214 1.547 3.718
338 HD12 ILE 49 HD12 ILE 49 -3.692 1.220 2.893
339 HD13 ILE 49 HD13 ILE 49 -5.214 0.705 2.168
340 H PHE 50 HN PHE 50 -4.018 5.629 1.105
341 HA PHE 50 HA PHE 50 -4.527 7.313 3.361
342 HB2 PHE 50 HB2 PHE 50 -2.195 6.883 1.549
343 HB3 PHE 50 HB1 PHE 50 -2.252 8.369 2.499
344 HD1 PHE 50 HD2 PHE 50 -2.107 4.692 2.679
345 HD2 PHE 50 HD1 PHE 50 -1.952 8.345 4.864
346 HE1 PHE 50 HE2 PHE 50 -1.302 3.474 4.654
347 HE2 PHE 50 HE1 PHE 50 -1.145 7.133 6.842
348 HZ PHE 50 HZ PHE 50 -0.820 4.697 6.745
349 H CYS 51 HN CYS 51 -4.226 7.885 -0.136
350 HA CYS 51 HA CYS 51 -4.639 10.688 0.093
351 HB2 CYS 51 HB2 CYS 51 -4.743 8.761 -2.212
352 HB3 CYS 51 HB1 CYS 51 -5.254 10.432 -2.418
353 H ARG 52 HN ARG 52 -6.779 7.934 -0.170
354 HA ARG 52 HA ARG 52 -9.152 9.368 -0.735
355 HB2 ARG 52 HB2 ARG 52 -9.069 6.975 -1.080
356 HB3 ARG 52 HB1 ARG 52 -8.717 6.700 0.621
357 HG2 ARG 52 HG2 ARG 52 -10.935 7.585 1.206
358 HG3 ARG 52 HG1 ARG 52 -11.287 7.800 -0.510
359 HD2 ARG 52 HD2 ARG 52 -11.145 5.425 -0.886
360 HD3 ARG 52 HD1 ARG 52 -10.601 5.155 0.771
361 HE ARG 52 HE ARG 52 -13.050 6.464 0.905
362 HH11 ARG 52 HH11 ARG 52 -11.827 3.351 -0.197
363 HH12 ARG 52 HH12 ARG 52 -13.332 2.536 0.121
364 HH21 ARG 52 HH21 ARG 52 -15.002 5.356 1.313
365 HH22 ARG 52 HH22 ARG 52 -15.112 3.658 0.973
366 H MET 53 HN MET 53 -7.438 8.634 2.237
367 HA MET 53 HA MET 53 -9.664 9.748 3.790
368 HB2 MET 53 HB2 MET 53 -7.267 8.155 4.721
369 HB3 MET 53 HB1 MET 53 -8.547 8.758 5.764
370 HG2 MET 53 HG2 MET 53 -8.826 6.729 3.561
371 HG3 MET 53 HG1 MET 53 -8.910 6.432 5.296
372 HE1 MET 53 HE1 MET 53 -12.593 5.822 4.077
373 HE2 MET 53 HE2 MET 53 -11.199 5.127 4.905
374 HE3 MET 53 HE3 MET 53 -11.118 5.469 3.177
375 H LYS 54 HN LYS 54 -7.584 11.252 2.223
376 HA LYS 54 HA LYS 54 -6.515 13.247 2.390
377 HB2 LYS 54 HB2 LYS 54 -7.940 13.359 5.053
378 HB3 LYS 54 HB1 LYS 54 -7.128 14.717 4.293
379 HG2 LYS 54 HG2 LYS 54 -8.678 14.636 2.428
380 HG3 LYS 54 HG1 LYS 54 -9.481 13.233 3.137
381 HD2 LYS 54 HD2 LYS 54 -9.270 15.947 4.439
382 HD3 LYS 54 HD1 LYS 54 -10.675 15.365 3.550
383 HE2 LYS 54 HE2 LYS 54 -10.914 13.518 5.150
384 HE3 LYS 54 HE1 LYS 54 -9.511 14.112 6.038
385 HZ1 LYS 54 HZ1 LYS 54 -12.046 15.599 5.631
386 HZ2 LYS 54 HZ2 LYS 54 -10.705 16.148 6.505
387 HZ3 LYS 54 HZ3 LYS 54 -11.585 14.814 7.056
388 H GLU 55 HN GLU 55 -5.447 14.568 4.656
389 HA GLU 55 HA GLU 55 -3.589 14.674 5.942
390 HB2 GLU 55 HB2 GLU 55 -4.228 11.764 6.435
391 HB3 GLU 55 HB1 GLU 55 -3.058 12.698 7.353
392 HG2 GLU 55 HG2 GLU 55 -6.032 13.138 7.220
393 HG3 GLU 55 HG1 GLU 55 -5.097 12.552 8.595
394 H SER 56 HN SER 56 -3.125 14.366 3.253
395 HA SER 56 HA SER 56 -0.544 13.010 3.312
396 HB2 SER 56 HB2 SER 56 -2.231 11.472 2.247
397 HB3 SER 56 HB1 SER 56 -2.471 12.689 0.997
398 HG SER 56 HG SER 56 0.002 11.429 1.620
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 21.408 -0.351 -5.838
2 H2 GLY 1 HT2 GLY 1 19.914 0.170 -5.243
3 H3 GLY 1 HT3 GLY 1 21.273 1.156 -5.081
4 HA2 GLY 1 HA1 GLY 1 21.415 1.421 -7.471
5 HA3 GLY 1 HA2 GLY 1 20.006 0.386 -7.645
6 H ALA 2 HN ALA 2 19.762 2.738 -8.806
7 HA ALA 2 HA ALA 2 18.438 4.543 -6.893
8 HB1 ALA 2 HB1 ALA 2 20.283 5.536 -8.164
9 HB2 ALA 2 HB2 ALA 2 18.743 6.297 -8.561
10 HB3 ALA 2 HB3 ALA 2 19.463 5.133 -9.672
11 H MET 3 HN MET 3 17.574 2.075 -8.755
12 HA MET 3 HA MET 3 15.452 3.220 -10.309
13 HB2 MET 3 HB2 MET 3 16.528 1.093 -10.946
14 HB3 MET 3 HB1 MET 3 15.896 0.345 -9.486
15 HG2 MET 3 HG2 MET 3 13.604 0.800 -10.292
16 HG3 MET 3 HG1 MET 3 14.291 1.428 -11.789
17 HE1 MET 3 HE1 MET 3 14.614 -2.964 -10.405
18 HE2 MET 3 HE2 MET 3 13.804 -1.688 -9.496
19 HE3 MET 3 HE3 MET 3 15.560 -1.673 -9.663
20 H GLY 4 HN GLY 4 15.603 1.356 -7.290
21 HA2 GLY 4 HA2 GLY 4 13.937 2.626 -5.680
22 HA3 GLY 4 HA1 GLY 4 12.778 1.924 -6.800
23 H MET 5 HN MET 5 12.828 1.361 -4.054
24 HA MET 5 HA MET 5 14.170 -1.141 -3.611
25 HB2 MET 5 HB2 MET 5 13.676 0.498 -1.794
26 HB3 MET 5 HB1 MET 5 11.966 0.149 -1.994
27 HG2 MET 5 HG2 MET 5 12.327 -2.154 -1.346
28 HG3 MET 5 HG1 MET 5 14.060 -1.865 -1.214
29 HE1 MET 5 HE1 MET 5 13.125 -2.302 2.524
30 HE2 MET 5 HE2 MET 5 14.196 -2.791 1.212
31 HE3 MET 5 HE3 MET 5 12.481 -3.197 1.148
32 H ARG 6 HN ARG 6 13.509 -2.950 -4.566
33 HA ARG 6 HA ARG 6 10.610 -3.368 -4.890
34 HB2 ARG 6 HB2 ARG 6 12.817 -4.441 -6.659
35 HB3 ARG 6 HB1 ARG 6 11.090 -4.690 -6.888
36 HG2 ARG 6 HG2 ARG 6 12.548 -2.057 -7.039
37 HG3 ARG 6 HG1 ARG 6 11.916 -2.987 -8.397
38 HD2 ARG 6 HD2 ARG 6 9.660 -2.660 -7.649
39 HD3 ARG 6 HD1 ARG 6 10.214 -1.907 -6.157
40 HE ARG 6 HE ARG 6 10.644 -0.699 -8.810
41 HH11 ARG 6 HH11 ARG 6 9.798 -0.438 -5.418
42 HH12 ARG 6 HH12 ARG 6 9.459 1.259 -5.508
43 HH21 ARG 6 HH21 ARG 6 10.227 1.544 -8.912
44 HH22 ARG 6 HH22 ARG 6 9.708 2.384 -7.485
45 H ASN 7 HN ASN 7 13.428 -4.461 -3.419
46 HA ASN 7 HA ASN 7 12.567 -7.202 -3.117
47 HB2 ASN 7 HB2 ASN 7 14.868 -5.602 -2.032
48 HB3 ASN 7 HB1 ASN 7 14.478 -7.176 -1.357
49 HD21 ASN 7 HD21 ASN 7 14.841 -9.022 -2.572
50 HD22 ASN 7 HD22 ASN 7 15.775 -9.006 -4.029
51 H LEU 8 HN LEU 8 10.443 -6.344 -2.370
52 HA LEU 8 HA LEU 8 10.337 -5.355 0.348
53 HB2 LEU 8 HB2 LEU 8 8.099 -6.157 -1.512
54 HB3 LEU 8 HB1 LEU 8 7.925 -5.276 -0.005
55 HG LEU 8 HG LEU 8 9.451 -4.230 -2.391
56 HD11 LEU 8 HD11 LEU 8 7.535 -2.782 -2.783
57 HD12 LEU 8 HD12 LEU 8 6.651 -3.592 -1.490
58 HD13 LEU 8 HD13 LEU 8 7.097 -4.482 -2.946
59 HD21 LEU 8 HD21 LEU 8 8.494 -2.892 0.136
60 HD22 LEU 8 HD22 LEU 8 9.291 -2.088 -1.217
61 HD23 LEU 8 HD23 LEU 8 10.165 -3.286 -0.265
62 H ASP 9 HN ASP 9 11.052 -6.930 1.665
63 HA ASP 9 HA ASP 9 9.736 -9.558 1.515
64 HB2 ASP 9 HB2 ASP 9 12.146 -9.705 1.226
65 HB3 ASP 9 HB1 ASP 9 12.400 -8.824 2.730
66 H GLU 10 HN GLU 10 10.420 -6.833 3.578
67 HA GLU 10 HA GLU 10 9.717 -8.051 6.047
68 HB2 GLU 10 HB2 GLU 10 9.677 -5.154 5.192
69 HB3 GLU 10 HB1 GLU 10 9.459 -5.709 6.844
70 HG2 GLU 10 HG2 GLU 10 11.691 -6.559 6.917
71 HG3 GLU 10 HG1 GLU 10 11.923 -6.223 5.202
72 H CYS 11 HN CYS 11 8.023 -6.239 3.588
73 HA CYS 11 HA CYS 11 5.456 -6.433 4.830
74 HB2 CYS 11 HB2 CYS 11 6.101 -4.666 3.198
75 HB3 CYS 11 HB1 CYS 11 6.205 -5.895 1.949
76 H GLU 12 HN GLU 12 5.031 -8.539 5.283
77 HA GLU 12 HA GLU 12 5.734 -10.703 3.602
78 HB2 GLU 12 HB2 GLU 12 3.850 -10.532 5.947
79 HB3 GLU 12 HB1 GLU 12 4.310 -12.040 5.164
80 HG2 GLU 12 HG2 GLU 12 6.619 -11.695 5.755
81 HG3 GLU 12 HG1 GLU 12 6.242 -10.110 6.427
82 H VAL 13 HN VAL 13 2.922 -8.696 3.869
83 HA VAL 13 HA VAL 13 1.168 -10.377 2.431
84 HB VAL 13 HB VAL 13 0.188 -8.632 3.719
85 HG11 VAL 13 HG11 VAL 13 0.530 -6.292 3.348
86 HG12 VAL 13 HG12 VAL 13 1.601 -6.624 1.990
87 HG13 VAL 13 HG13 VAL 13 2.087 -7.068 3.625
88 HG21 VAL 13 HG21 VAL 13 -1.261 -7.538 2.107
89 HG22 VAL 13 HG22 VAL 13 -0.990 -9.222 1.657
90 HG23 VAL 13 HG23 VAL 13 -0.137 -7.933 0.809
91 H CYS 14 HN CYS 14 3.437 -7.837 1.389
92 HA CYS 14 HA CYS 14 2.817 -8.030 -1.370
93 HB2 CYS 14 HB2 CYS 14 5.077 -6.929 0.207
94 HB3 CYS 14 HB1 CYS 14 5.394 -7.301 -1.483
95 H ARG 15 HN ARG 15 5.041 -9.730 0.728
96 HA ARG 15 HA ARG 15 6.352 -11.273 -1.219
97 HB2 ARG 15 HB2 ARG 15 7.213 -11.064 1.033
98 HB3 ARG 15 HB1 ARG 15 5.777 -11.832 1.690
99 HG2 ARG 15 HG2 ARG 15 6.388 -13.935 0.698
100 HG3 ARG 15 HG1 ARG 15 7.758 -13.189 -0.128
101 HD2 ARG 15 HD2 ARG 15 8.878 -12.773 1.923
102 HD3 ARG 15 HD1 ARG 15 7.443 -13.171 2.863
103 HE ARG 15 HE ARG 15 7.854 -15.503 1.725
104 HH11 ARG 15 HH11 ARG 15 10.314 -13.303 2.937
105 HH12 ARG 15 HH12 ARG 15 11.355 -14.587 3.469
106 HH21 ARG 15 HH21 ARG 15 9.249 -17.164 2.416
107 HH22 ARG 15 HH22 ARG 15 10.762 -16.766 3.166
108 H ASP 16 HN ASP 16 3.351 -11.785 0.561
109 HA ASP 16 HA ASP 16 2.780 -14.320 -0.615
110 HB2 ASP 16 HB2 ASP 16 1.239 -12.351 1.021
111 HB3 ASP 16 HB1 ASP 16 0.371 -13.640 0.196
112 H GLY 17 HN GLY 17 2.809 -11.293 -1.969
113 HA2 GLY 17 HA2 GLY 17 2.345 -10.920 -4.253
114 HA3 GLY 17 HA1 GLY 17 1.210 -12.261 -4.218
115 H GLY 18 HN GLY 18 0.827 -10.207 -1.579
116 HA2 GLY 18 HA2 GLY 18 -1.746 -9.349 -2.325
117 HA3 GLY 18 HA1 GLY 18 -0.804 -8.713 -0.987
118 H GLU 19 HN GLU 19 -2.548 -7.317 -2.838
119 HA GLU 19 HA GLU 19 -0.787 -5.808 -4.576
120 HB2 GLU 19 HB2 GLU 19 -3.755 -5.583 -4.058
121 HB3 GLU 19 HB1 GLU 19 -2.866 -4.637 -5.248
122 HG2 GLU 19 HG2 GLU 19 -2.231 -6.707 -6.401
123 HG3 GLU 19 HG1 GLU 19 -3.170 -7.630 -5.228
124 H LEU 20 HN LEU 20 -1.298 -3.336 -4.581
125 HA LEU 20 HA LEU 20 -0.756 -2.439 -1.827
126 HB2 LEU 20 HB2 LEU 20 1.051 -2.563 -3.770
127 HB3 LEU 20 HB1 LEU 20 0.338 -1.029 -4.215
128 HG LEU 20 HG LEU 20 1.451 -1.574 -1.466
129 HD11 LEU 20 HD11 LEU 20 3.207 -1.892 -3.131
130 HD12 LEU 20 HD12 LEU 20 3.465 -0.407 -2.214
131 HD13 LEU 20 HD13 LEU 20 2.816 -0.330 -3.852
132 HD21 LEU 20 HD21 LEU 20 1.533 0.851 -1.314
133 HD22 LEU 20 HD22 LEU 20 -0.112 0.315 -1.663
134 HD23 LEU 20 HD23 LEU 20 0.887 0.996 -2.947
135 H PHE 21 HN PHE 21 -2.052 -0.836 -1.076
136 HA PHE 21 HA PHE 21 -3.850 0.433 -3.027
137 HB2 PHE 21 HB2 PHE 21 -4.212 -0.070 -0.061
138 HB3 PHE 21 HB1 PHE 21 -5.332 0.874 -1.040
139 HD1 PHE 21 HD2 PHE 21 -6.504 -0.249 -2.974
140 HD2 PHE 21 HD1 PHE 21 -4.328 -2.429 -0.028
141 HE1 PHE 21 HE2 PHE 21 -7.668 -2.309 -3.638
142 HE2 PHE 21 HE1 PHE 21 -5.492 -4.491 -0.694
143 HZ PHE 21 HZ PHE 21 -7.161 -4.432 -2.499
144 H CYS 22 HN CYS 22 -1.527 1.578 -3.110
145 HA CYS 22 HA CYS 22 -2.031 4.236 -2.094
146 HB2 CYS 22 HB2 CYS 22 0.152 2.510 -1.037
147 HB3 CYS 22 HB1 CYS 22 0.547 4.194 -1.369
148 H CYS 23 HN CYS 23 -0.697 5.834 -3.124
149 HA CYS 23 HA CYS 23 0.158 5.210 -5.767
150 HB2 CYS 23 HB2 CYS 23 0.962 7.692 -4.251
151 HB3 CYS 23 HB1 CYS 23 0.659 7.516 -5.979
152 H ASP 24 HN ASP 24 2.461 5.673 -6.516
153 HA ASP 24 HA ASP 24 4.290 4.036 -5.205
154 HB2 ASP 24 HB2 ASP 24 4.544 4.693 -7.559
155 HB3 ASP 24 HB1 ASP 24 4.885 6.348 -7.068
156 H THR 25 HN THR 25 4.051 7.585 -5.143
157 HA THR 25 HA THR 25 6.176 8.093 -3.402
158 HB THR 25 HB THR 25 3.625 9.695 -3.633
159 HG1 THR 25 HG1 THR 25 5.799 9.338 -5.386
160 HG21 THR 25 HG21 THR 25 5.098 11.602 -3.176
161 HG22 THR 25 HG22 THR 25 6.469 10.504 -3.020
162 HG23 THR 25 HG23 THR 25 5.143 10.429 -1.861
163 H CYS 26 HN CYS 26 2.711 7.699 -2.718
164 HA CYS 26 HA CYS 26 2.834 8.077 0.050
165 HB2 CYS 26 HB2 CYS 26 0.854 6.435 -1.545
166 HB3 CYS 26 HB1 CYS 26 0.603 7.043 0.090
167 H SER 27 HN SER 27 3.259 5.188 -1.911
168 HA SER 27 HA SER 27 3.198 3.314 0.200
169 HB2 SER 27 HB2 SER 27 2.852 2.662 -2.120
170 HB3 SER 27 HB1 SER 27 4.485 3.177 -2.534
171 HG SER 27 HG SER 27 4.866 1.128 -2.163
172 H ARG 28 HN ARG 28 5.782 5.240 -1.220
173 HA ARG 28 HA ARG 28 7.980 3.843 -0.242
174 HB2 ARG 28 HB2 ARG 28 7.623 6.780 -0.795
175 HB3 ARG 28 HB1 ARG 28 9.176 6.053 -0.409
176 HG2 ARG 28 HG2 ARG 28 9.024 4.648 -2.387
177 HG3 ARG 28 HG1 ARG 28 7.444 5.336 -2.767
178 HD2 ARG 28 HD2 ARG 28 8.536 7.578 -2.868
179 HD3 ARG 28 HD1 ARG 28 10.092 6.770 -2.687
180 HE ARG 28 HE ARG 28 8.296 6.099 -4.927
181 HH11 ARG 28 HH11 ARG 28 11.399 7.243 -3.746
182 HH12 ARG 28 HH12 ARG 28 12.124 7.256 -5.319
183 HH21 ARG 28 HH21 ARG 28 9.251 6.103 -6.976
184 HH22 ARG 28 HH22 ARG 28 10.911 6.586 -7.160
185 H VAL 29 HN VAL 29 5.887 6.127 1.384
186 HA VAL 29 HA VAL 29 7.713 6.175 3.664
187 HB VAL 29 HB VAL 29 6.208 8.028 4.511
188 HG11 VAL 29 HG11 VAL 29 7.644 8.414 1.885
189 HG12 VAL 29 HG12 VAL 29 8.380 8.451 3.489
190 HG13 VAL 29 HG13 VAL 29 7.221 9.696 3.021
191 HG21 VAL 29 HG21 VAL 29 5.183 7.920 1.676
192 HG22 VAL 29 HG22 VAL 29 4.813 9.166 2.867
193 HG23 VAL 29 HG23 VAL 29 4.256 7.511 3.117
194 H PHE 30 HN PHE 30 4.427 5.185 2.815
195 HA PHE 30 HA PHE 30 4.179 4.129 5.564
196 HB2 PHE 30 HB2 PHE 30 1.870 5.090 3.866
197 HB3 PHE 30 HB1 PHE 30 1.806 4.553 5.538
198 HD1 PHE 30 HD2 PHE 30 3.682 5.954 7.014
199 HD2 PHE 30 HD1 PHE 30 1.529 7.344 3.611
200 HE1 PHE 30 HE2 PHE 30 3.991 8.275 7.767
201 HE2 PHE 30 HE1 PHE 30 1.847 9.663 4.357
202 HZ PHE 30 HZ PHE 30 2.977 10.138 6.445
203 H HIS 31 HN HIS 31 5.283 2.630 3.484
204 HA HIS 31 HA HIS 31 3.611 1.255 1.796
205 HB2 HIS 31 HB2 HIS 31 6.084 1.147 1.748
206 HB3 HIS 31 HB1 HIS 31 6.043 0.118 3.175
207 HD1 HIS 31 HD1 HIS 31 4.633 0.026 -0.386
208 HD2 HIS 31 HD2 HIS 31 6.094 -2.488 2.590
209 HE1 HIS 31 HE1 HIS 31 4.658 -2.313 -1.366
210 H GLU 32 HN GLU 32 4.487 0.314 5.108
211 HA GLU 32 HA GLU 32 3.233 -2.214 4.983
212 HB2 GLU 32 HB2 GLU 32 3.821 -0.531 7.428
213 HB3 GLU 32 HB1 GLU 32 3.435 -2.245 7.434
214 HG2 GLU 32 HG2 GLU 32 5.764 -2.101 7.706
215 HG3 GLU 32 HG1 GLU 32 5.509 -2.589 6.032
216 H ASP 33 HN ASP 33 2.215 0.845 6.401
217 HA ASP 33 HA ASP 33 -0.342 -0.011 7.226
218 HB2 ASP 33 HB2 ASP 33 0.978 2.098 7.908
219 HB3 ASP 33 HB1 ASP 33 0.281 2.824 6.468
220 H CYS 34 HN CYS 34 0.887 0.993 4.165
221 HA CYS 34 HA CYS 34 -1.568 1.746 2.953
222 HB2 CYS 34 HB2 CYS 34 1.169 1.078 1.949
223 HB3 CYS 34 HB1 CYS 34 -0.162 1.246 0.807
224 H HIS 35 HN HIS 35 -0.521 -1.263 3.954
225 HA HIS 35 HA HIS 35 -2.216 -2.608 1.951
226 HB2 HIS 35 HB2 HIS 35 -0.130 -3.772 3.804
227 HB3 HIS 35 HB1 HIS 35 -1.148 -4.712 2.719
228 HD1 HIS 35 HD1 HIS 35 -0.378 -4.881 0.265
229 HD2 HIS 35 HD2 HIS 35 1.811 -2.176 2.531
230 HE1 HIS 35 HE1 HIS 35 1.669 -4.300 -1.102
231 H ILE 36 HN ILE 36 -2.603 -1.209 4.810
232 HA ILE 36 HA ILE 36 -4.373 -3.316 5.855
233 HB ILE 36 HB ILE 36 -2.625 -1.580 7.601
234 HG12 ILE 36 HG12 ILE 36 -2.258 -4.512 6.950
235 HG13 ILE 36 HG11 ILE 36 -1.307 -3.214 6.238
236 HG21 ILE 36 HG21 ILE 36 -4.711 -2.328 8.629
237 HG22 ILE 36 HG22 ILE 36 -3.315 -3.101 9.381
238 HG23 ILE 36 HG23 ILE 36 -4.309 -3.999 8.235
239 HD11 ILE 36 HD11 ILE 36 -1.430 -3.886 9.169
240 HD12 ILE 36 HD12 ILE 36 -0.445 -2.624 8.428
241 HD13 ILE 36 HD13 ILE 36 -0.128 -4.320 8.062
242 HA PRO 37 HA PRO 37 -6.078 -3.704 6.519
243 HB2 PRO 37 HB2 PRO 37 -8.737 -3.601 6.213
244 HB3 PRO 37 HB1 PRO 37 -7.979 -3.176 7.759
245 HG2 PRO 37 HG2 PRO 37 -9.008 -1.381 5.588
246 HG3 PRO 37 HG1 PRO 37 -9.193 -1.229 7.345
247 HD2 PRO 37 HD2 PRO 37 -7.317 0.136 5.865
248 HD3 PRO 37 HD1 PRO 37 -7.146 -0.233 7.592
249 HA PRO 38 HA PRO 38 -5.964 -4.196 2.103
250 HB2 PRO 38 HB2 PRO 38 -6.375 -6.894 2.008
251 HB3 PRO 38 HB1 PRO 38 -4.823 -6.153 2.415
252 HG2 PRO 38 HG2 PRO 38 -6.923 -7.280 4.225
253 HG3 PRO 38 HG1 PRO 38 -5.157 -7.423 4.331
254 HD2 PRO 38 HD2 PRO 38 -6.570 -5.687 5.864
255 HD3 PRO 38 HD1 PRO 38 -4.921 -5.336 5.303
256 H VAL 39 HN VAL 39 -8.603 -5.462 4.035
257 HA VAL 39 HA VAL 39 -10.436 -4.852 1.825
258 HB VAL 39 HB VAL 39 -10.759 -7.288 3.589
259 HG11 VAL 39 HG11 VAL 39 -12.863 -6.376 2.818
260 HG12 VAL 39 HG12 VAL 39 -12.523 -7.886 1.973
261 HG13 VAL 39 HG13 VAL 39 -12.273 -6.343 1.157
262 HG21 VAL 39 HG21 VAL 39 -10.217 -8.628 1.616
263 HG22 VAL 39 HG22 VAL 39 -8.859 -7.608 2.095
264 HG23 VAL 39 HG23 VAL 39 -9.859 -7.156 0.714
265 H GLU 40 HN GLU 40 -10.834 -2.897 2.966
266 HA GLU 40 HA GLU 40 -11.864 -2.903 5.627
267 HB2 GLU 40 HB2 GLU 40 -12.578 -0.548 5.053
268 HB3 GLU 40 HB1 GLU 40 -10.862 -0.874 4.862
269 HG2 GLU 40 HG2 GLU 40 -11.114 -1.049 2.473
270 HG3 GLU 40 HG1 GLU 40 -12.862 -0.878 2.615
271 H ALA 41 HN ALA 41 -13.320 -2.695 2.419
272 HA ALA 41 HA ALA 41 -15.723 -3.981 3.391
273 HB1 ALA 41 HB1 ALA 41 -16.220 -1.619 3.791
274 HB2 ALA 41 HB2 ALA 41 -17.233 -2.271 2.503
275 HB3 ALA 41 HB3 ALA 41 -15.849 -1.252 2.108
276 H GLU 42 HN GLU 42 -14.761 -2.020 0.589
277 HA GLU 42 HA GLU 42 -15.141 -4.370 -1.115
278 HB2 GLU 42 HB2 GLU 42 -14.865 -2.778 -3.011
279 HB3 GLU 42 HB1 GLU 42 -16.223 -2.383 -1.973
280 HG2 GLU 42 HG2 GLU 42 -13.569 -1.058 -1.596
281 HG3 GLU 42 HG1 GLU 42 -14.695 -0.501 -2.829
282 H ARG 43 HN ARG 43 -13.388 -4.458 -2.950
283 HA ARG 43 HA ARG 43 -10.740 -3.753 -2.019
284 HB2 ARG 43 HB2 ARG 43 -9.865 -5.919 -1.733
285 HB3 ARG 43 HB1 ARG 43 -11.405 -5.971 -0.894
286 HG2 ARG 43 HG2 ARG 43 -10.930 -7.022 -3.680
287 HG3 ARG 43 HG1 ARG 43 -10.927 -8.001 -2.215
288 HD2 ARG 43 HD2 ARG 43 -13.269 -6.353 -3.153
289 HD3 ARG 43 HD1 ARG 43 -13.065 -8.068 -3.502
290 HE ARG 43 HE ARG 43 -12.923 -8.124 -0.872
291 HH11 ARG 43 HH11 ARG 43 -15.119 -6.312 -2.911
292 HH12 ARG 43 HH12 ARG 43 -16.417 -6.352 -1.761
293 HH21 ARG 43 HH21 ARG 43 -14.638 -8.198 0.629
294 HH22 ARG 43 HH22 ARG 43 -16.144 -7.424 0.251
295 H THR 44 HN THR 44 -9.244 -3.728 -3.671
296 HA THR 44 HA THR 44 -8.391 -3.611 -5.749
297 HB THR 44 HB THR 44 -8.818 -5.354 -7.369
298 HG1 THR 44 HG1 THR 44 -11.217 -5.623 -5.964
299 HG21 THR 44 HG21 THR 44 -8.409 -7.353 -6.027
300 HG22 THR 44 HG22 THR 44 -8.941 -6.499 -4.580
301 HG23 THR 44 HG23 THR 44 -7.478 -5.984 -5.419
302 HA PRO 45 HA PRO 45 -8.026 -3.774 -8.056
303 HB2 PRO 45 HB2 PRO 45 -7.689 -1.334 -9.613
304 HB3 PRO 45 HB1 PRO 45 -7.806 -3.006 -10.178
305 HG2 PRO 45 HG2 PRO 45 -9.756 -1.181 -10.633
306 HG3 PRO 45 HG1 PRO 45 -10.101 -2.911 -10.403
307 HD2 PRO 45 HD2 PRO 45 -10.316 -0.657 -8.419
308 HD3 PRO 45 HD1 PRO 45 -11.457 -1.984 -8.742
309 H TRP 46 HN TRP 46 -8.094 -0.209 -7.934
310 HA TRP 46 HA TRP 46 -5.959 -0.322 -5.914
311 HB2 TRP 46 HB2 TRP 46 -4.937 0.049 -8.138
312 HB3 TRP 46 HB1 TRP 46 -5.985 1.440 -8.385
313 HD1 TRP 46 HD1 TRP 46 -2.979 0.323 -6.259
314 HE1 TRP 46 HE1 TRP 46 -1.732 2.425 -5.450
315 HE3 TRP 46 HE3 TRP 46 -6.240 3.888 -7.925
316 HZ2 TRP 46 HZ2 TRP 46 -2.093 5.225 -5.507
317 HZ3 TRP 46 HZ3 TRP 46 -5.717 6.254 -7.508
318 HH2 TRP 46 HH2 TRP 46 -3.686 6.907 -6.325
319 H ASN 47 HN ASN 47 -5.952 1.365 -4.425
320 HA ASN 47 HA ASN 47 -7.546 3.700 -4.688
321 HB2 ASN 47 HB2 ASN 47 -9.330 1.993 -4.251
322 HB3 ASN 47 HB1 ASN 47 -8.554 1.631 -2.714
323 HD21 ASN 47 HD21 ASN 47 -10.334 4.002 -4.539
324 HD22 ASN 47 HD22 ASN 47 -10.826 4.963 -3.186
325 H CYS 48 HN CYS 48 -5.959 4.964 -3.884
326 HA CYS 48 HA CYS 48 -4.236 4.097 -1.770
327 HB2 CYS 48 HB2 CYS 48 -3.433 5.632 -3.516
328 HB3 CYS 48 HB1 CYS 48 -4.580 6.849 -2.981
329 H ILE 49 HN ILE 49 -5.086 3.822 0.163
330 HA ILE 49 HA ILE 49 -7.359 5.116 1.154
331 HB ILE 49 HB ILE 49 -6.642 4.234 3.400
332 HG12 ILE 49 HG12 ILE 49 -4.310 3.172 1.780
333 HG13 ILE 49 HG11 ILE 49 -4.223 4.310 3.119
334 HG21 ILE 49 HG21 ILE 49 -8.092 2.944 1.968
335 HG22 ILE 49 HG22 ILE 49 -6.940 1.867 2.754
336 HG23 ILE 49 HG23 ILE 49 -6.711 2.320 1.067
337 HD11 ILE 49 HD11 ILE 49 -3.548 2.151 3.883
338 HD12 ILE 49 HD12 ILE 49 -5.019 1.416 3.249
339 HD13 ILE 49 HD13 ILE 49 -5.109 2.539 4.605
340 H PHE 50 HN PHE 50 -3.983 6.033 1.327
341 HA PHE 50 HA PHE 50 -4.381 8.002 3.367
342 HB2 PHE 50 HB2 PHE 50 -2.110 7.459 1.458
343 HB3 PHE 50 HB1 PHE 50 -2.101 8.853 2.535
344 HD1 PHE 50 HD2 PHE 50 -2.061 5.183 2.376
345 HD2 PHE 50 HD1 PHE 50 -1.736 8.603 4.889
346 HE1 PHE 50 HE2 PHE 50 -1.176 3.771 4.177
347 HE2 PHE 50 HE1 PHE 50 -0.845 7.191 6.692
348 HZ PHE 50 HZ PHE 50 -0.662 4.790 6.394
349 H CYS 51 HN CYS 51 -4.285 8.106 -0.171
350 HA CYS 51 HA CYS 51 -4.666 10.947 -0.245
351 HB2 CYS 51 HB2 CYS 51 -4.763 8.795 -2.343
352 HB3 CYS 51 HB1 CYS 51 -5.274 10.439 -2.707
353 H ARG 52 HN ARG 52 -6.729 8.169 -0.039
354 HA ARG 52 HA ARG 52 -9.121 9.512 -0.823
355 HB2 ARG 52 HB2 ARG 52 -8.661 6.972 -0.742
356 HB3 ARG 52 HB1 ARG 52 -9.035 7.101 0.972
357 HG2 ARG 52 HG2 ARG 52 -11.234 8.076 0.361
358 HG3 ARG 52 HG1 ARG 52 -10.853 7.758 -1.333
359 HD2 ARG 52 HD2 ARG 52 -12.137 5.921 -0.664
360 HD3 ARG 52 HD1 ARG 52 -10.473 5.343 -0.615
361 HE ARG 52 HE ARG 52 -11.737 6.327 1.843
362 HH11 ARG 52 HH11 ARG 52 -10.264 3.698 0.036
363 HH12 ARG 52 HH12 ARG 52 -10.332 2.590 1.381
364 HH21 ARG 52 HH21 ARG 52 -11.797 4.866 3.585
365 HH22 ARG 52 HH22 ARG 52 -11.216 3.241 3.365
366 H MET 53 HN MET 53 -7.408 9.005 2.185
367 HA MET 53 HA MET 53 -9.476 10.214 3.796
368 HB2 MET 53 HB2 MET 53 -6.624 9.423 4.421
369 HB3 MET 53 HB1 MET 53 -7.703 10.159 5.595
370 HG2 MET 53 HG2 MET 53 -8.173 7.541 4.189
371 HG3 MET 53 HG1 MET 53 -7.585 7.734 5.840
372 HE1 MET 53 HE1 MET 53 -9.482 6.196 6.821
373 HE2 MET 53 HE2 MET 53 -10.050 5.907 5.176
374 HE3 MET 53 HE3 MET 53 -11.192 6.381 6.433
375 H LYS 54 HN LYS 54 -9.361 12.043 2.089
376 HA LYS 54 HA LYS 54 -7.272 13.934 2.176
377 HB2 LYS 54 HB2 LYS 54 -10.191 14.447 1.565
378 HB3 LYS 54 HB1 LYS 54 -8.828 15.451 1.094
379 HG2 LYS 54 HG2 LYS 54 -7.994 13.682 -0.348
380 HG3 LYS 54 HG1 LYS 54 -9.327 12.636 0.147
381 HD2 LYS 54 HD2 LYS 54 -9.837 13.620 -1.997
382 HD3 LYS 54 HD1 LYS 54 -10.918 14.291 -0.775
383 HE2 LYS 54 HE2 LYS 54 -10.118 16.047 -2.255
384 HE3 LYS 54 HE1 LYS 54 -9.492 16.286 -0.626
385 HZ1 LYS 54 HZ1 LYS 54 -7.389 15.363 -1.306
386 HZ2 LYS 54 HZ2 LYS 54 -7.802 16.633 -2.342
387 HZ3 LYS 54 HZ3 LYS 54 -7.986 15.031 -2.853
388 H GLU 55 HN GLU 55 -10.440 13.906 3.756
389 HA GLU 55 HA GLU 55 -9.341 15.682 5.823
390 HB2 GLU 55 HB2 GLU 55 -12.141 15.698 4.678
391 HB3 GLU 55 HB1 GLU 55 -11.607 16.665 6.045
392 HG2 GLU 55 HG2 GLU 55 -10.057 17.869 4.633
393 HG3 GLU 55 HG1 GLU 55 -10.484 16.851 3.258
394 H SER 56 HN SER 56 -8.833 13.850 7.055
395 HA SER 56 HA SER 56 -11.055 12.864 8.615
396 HB2 SER 56 HB2 SER 56 -10.786 11.253 6.676
397 HB3 SER 56 HB1 SER 56 -9.184 10.876 7.307
398 HG SER 56 HG SER 56 -10.146 9.533 8.585
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 21.283 -3.610 5.705
2 H2 GLY 1 HT2 GLY 1 19.720 -3.041 5.403
3 H3 GLY 1 HT3 GLY 1 20.687 -2.282 6.560
4 HA2 GLY 1 HA1 GLY 1 22.239 -1.575 4.862
5 HA3 GLY 1 HA2 GLY 1 21.240 -2.365 3.652
6 H ALA 2 HN ALA 2 22.051 0.547 4.501
7 HA ALA 2 HA ALA 2 19.344 1.640 4.072
8 HB1 ALA 2 HB1 ALA 2 20.002 1.950 6.427
9 HB2 ALA 2 HB2 ALA 2 19.821 3.483 5.574
10 HB3 ALA 2 HB3 ALA 2 21.430 2.839 5.895
11 H MET 3 HN MET 3 21.781 1.058 2.362
12 HA MET 3 HA MET 3 22.318 3.797 1.422
13 HB2 MET 3 HB2 MET 3 24.304 2.478 2.012
14 HB3 MET 3 HB1 MET 3 23.830 1.239 0.861
15 HG2 MET 3 HG2 MET 3 24.142 2.762 -0.977
16 HG3 MET 3 HG1 MET 3 24.478 4.087 0.135
17 HE1 MET 3 HE1 MET 3 26.350 3.232 -2.338
18 HE2 MET 3 HE2 MET 3 27.941 3.397 -1.596
19 HE3 MET 3 HE3 MET 3 26.690 4.598 -1.277
20 H GLY 4 HN GLY 4 21.484 0.545 0.269
21 HA2 GLY 4 HA2 GLY 4 20.060 1.797 -1.969
22 HA3 GLY 4 HA1 GLY 4 21.279 0.584 -2.334
23 H MET 5 HN MET 5 19.344 0.314 0.534
24 HA MET 5 HA MET 5 18.099 -2.080 -0.614
25 HB2 MET 5 HB2 MET 5 19.372 -2.426 1.444
26 HB3 MET 5 HB1 MET 5 18.399 -1.223 2.271
27 HG2 MET 5 HG2 MET 5 17.745 -3.508 2.844
28 HG3 MET 5 HG1 MET 5 16.438 -2.614 2.068
29 HE1 MET 5 HE1 MET 5 15.834 -6.275 0.840
30 HE2 MET 5 HE2 MET 5 15.144 -4.879 1.665
31 HE3 MET 5 HE3 MET 5 16.451 -5.790 2.417
32 H ARG 6 HN ARG 6 16.440 -1.088 -1.754
33 HA ARG 6 HA ARG 6 14.325 0.060 -0.060
34 HB2 ARG 6 HB2 ARG 6 15.008 0.798 -2.914
35 HB3 ARG 6 HB1 ARG 6 13.613 1.397 -2.026
36 HG2 ARG 6 HG2 ARG 6 15.113 2.452 -0.398
37 HG3 ARG 6 HG1 ARG 6 16.503 1.868 -1.314
38 HD2 ARG 6 HD2 ARG 6 15.754 3.161 -3.256
39 HD3 ARG 6 HD1 ARG 6 14.376 3.749 -2.327
40 HE ARG 6 HE ARG 6 16.858 4.309 -1.034
41 HH11 ARG 6 HH11 ARG 6 14.735 5.379 -3.600
42 HH12 ARG 6 HH12 ARG 6 15.257 7.030 -3.522
43 HH21 ARG 6 HH21 ARG 6 17.558 6.488 -0.928
44 HH22 ARG 6 HH22 ARG 6 16.859 7.663 -1.995
45 H ASN 7 HN ASN 7 14.756 -2.652 -0.617
46 HA ASN 7 HA ASN 7 12.756 -3.382 -2.613
47 HB2 ASN 7 HB2 ASN 7 14.867 -4.643 -2.607
48 HB3 ASN 7 HB1 ASN 7 14.598 -5.105 -0.931
49 HD21 ASN 7 HD21 ASN 7 13.571 -5.582 -4.238
50 HD22 ASN 7 HD22 ASN 7 12.699 -7.048 -3.950
51 H LEU 8 HN LEU 8 10.897 -4.530 -2.102
52 HA LEU 8 HA LEU 8 9.836 -3.965 0.522
53 HB2 LEU 8 HB2 LEU 8 8.511 -5.463 -1.734
54 HB3 LEU 8 HB1 LEU 8 7.728 -4.672 -0.378
55 HG LEU 8 HG LEU 8 9.187 -3.295 -2.635
56 HD11 LEU 8 HD11 LEU 8 6.968 -2.423 -3.198
57 HD12 LEU 8 HD12 LEU 8 6.264 -3.433 -1.935
58 HD13 LEU 8 HD13 LEU 8 7.051 -4.178 -3.325
59 HD21 LEU 8 HD21 LEU 8 9.486 -2.075 -0.558
60 HD22 LEU 8 HD22 LEU 8 7.749 -2.127 -0.257
61 HD23 LEU 8 HD23 LEU 8 8.380 -1.213 -1.628
62 H ASP 9 HN ASP 9 11.550 -5.389 1.429
63 HA ASP 9 HA ASP 9 11.218 -8.246 0.981
64 HB2 ASP 9 HB2 ASP 9 13.489 -7.226 0.986
65 HB3 ASP 9 HB1 ASP 9 13.266 -6.818 2.684
66 H GLU 10 HN GLU 10 10.868 -5.865 3.544
67 HA GLU 10 HA GLU 10 10.402 -7.896 5.554
68 HB2 GLU 10 HB2 GLU 10 10.168 -4.894 5.728
69 HB3 GLU 10 HB1 GLU 10 10.107 -6.005 7.088
70 HG2 GLU 10 HG2 GLU 10 12.410 -6.710 6.569
71 HG3 GLU 10 HG1 GLU 10 12.458 -5.506 5.282
72 H CYS 11 HN CYS 11 8.569 -7.064 3.159
73 HA CYS 11 HA CYS 11 6.106 -6.631 4.694
74 HB2 CYS 11 HB2 CYS 11 6.746 -5.023 2.860
75 HB3 CYS 11 HB1 CYS 11 6.494 -6.334 1.723
76 H GLU 12 HN GLU 12 5.560 -8.650 5.316
77 HA GLU 12 HA GLU 12 5.912 -11.035 3.964
78 HB2 GLU 12 HB2 GLU 12 5.280 -10.777 6.353
79 HB3 GLU 12 HB1 GLU 12 3.659 -10.339 5.841
80 HG2 GLU 12 HG2 GLU 12 3.623 -12.613 6.500
81 HG3 GLU 12 HG1 GLU 12 3.477 -12.561 4.743
82 H VAL 13 HN VAL 13 3.242 -8.768 3.830
83 HA VAL 13 HA VAL 13 1.532 -10.453 2.325
84 HB VAL 13 HB VAL 13 0.571 -8.739 3.698
85 HG11 VAL 13 HG11 VAL 13 2.375 -7.117 3.585
86 HG12 VAL 13 HG12 VAL 13 0.817 -6.376 3.228
87 HG13 VAL 13 HG13 VAL 13 1.938 -6.742 1.919
88 HG21 VAL 13 HG21 VAL 13 -0.975 -7.699 2.145
89 HG22 VAL 13 HG22 VAL 13 -0.665 -9.371 1.675
90 HG23 VAL 13 HG23 VAL 13 0.115 -8.050 0.803
91 H CYS 14 HN CYS 14 3.866 -7.948 1.388
92 HA CYS 14 HA CYS 14 3.130 -7.918 -1.348
93 HB2 CYS 14 HB2 CYS 14 5.443 -6.935 0.214
94 HB3 CYS 14 HB1 CYS 14 5.725 -7.218 -1.498
95 H ARG 15 HN ARG 15 5.154 -10.013 0.553
96 HA ARG 15 HA ARG 15 6.496 -11.329 -1.568
97 HB2 ARG 15 HB2 ARG 15 5.660 -12.492 1.093
98 HB3 ARG 15 HB1 ARG 15 6.878 -13.152 0.015
99 HG2 ARG 15 HG2 ARG 15 8.299 -11.225 0.402
100 HG3 ARG 15 HG1 ARG 15 7.056 -10.500 1.426
101 HD2 ARG 15 HD2 ARG 15 7.202 -12.543 2.878
102 HD3 ARG 15 HD1 ARG 15 8.594 -13.045 1.926
103 HE ARG 15 HE ARG 15 9.486 -10.714 2.679
104 HH11 ARG 15 HH11 ARG 15 7.563 -12.938 4.597
105 HH12 ARG 15 HH12 ARG 15 8.253 -12.415 6.105
106 HH21 ARG 15 HH21 ARG 15 10.356 -10.018 4.667
107 HH22 ARG 15 HH22 ARG 15 9.820 -10.753 6.149
108 H ASP 16 HN ASP 16 3.431 -11.794 0.036
109 HA ASP 16 HA ASP 16 2.745 -14.163 -1.424
110 HB2 ASP 16 HB2 ASP 16 1.939 -13.693 0.877
111 HB3 ASP 16 HB1 ASP 16 0.985 -12.357 0.247
112 H GLY 17 HN GLY 17 2.620 -10.850 -2.086
113 HA2 GLY 17 HA2 GLY 17 2.053 -9.911 -4.156
114 HA3 GLY 17 HA1 GLY 17 1.157 -11.372 -4.547
115 H GLY 18 HN GLY 18 0.675 -9.808 -1.501
116 HA2 GLY 18 HA2 GLY 18 -2.100 -9.512 -1.875
117 HA3 GLY 18 HA1 GLY 18 -1.163 -8.799 -0.576
118 H GLU 19 HN GLU 19 -3.225 -7.382 -1.403
119 HA GLU 19 HA GLU 19 -2.790 -5.678 -3.620
120 HB2 GLU 19 HB2 GLU 19 -4.664 -5.710 -1.312
121 HB3 GLU 19 HB1 GLU 19 -4.467 -4.198 -2.181
122 HG2 GLU 19 HG2 GLU 19 -6.323 -5.276 -3.124
123 HG3 GLU 19 HG1 GLU 19 -5.007 -5.448 -4.281
124 H LEU 20 HN LEU 20 -2.138 -3.580 -3.745
125 HA LEU 20 HA LEU 20 -1.054 -2.313 -1.323
126 HB2 LEU 20 HB2 LEU 20 0.626 -3.213 -3.091
127 HB3 LEU 20 HB1 LEU 20 0.068 -1.887 -4.089
128 HG LEU 20 HG LEU 20 1.229 -1.440 -1.340
129 HD11 LEU 20 HD11 LEU 20 3.355 -0.950 -2.455
130 HD12 LEU 20 HD12 LEU 20 2.670 -1.475 -3.993
131 HD13 LEU 20 HD13 LEU 20 2.882 -2.634 -2.682
132 HD21 LEU 20 HD21 LEU 20 0.982 0.363 -3.753
133 HD22 LEU 20 HD22 LEU 20 1.651 0.800 -2.181
134 HD23 LEU 20 HD23 LEU 20 -0.063 0.409 -2.331
135 H PHE 21 HN PHE 21 -2.186 -0.470 -0.914
136 HA PHE 21 HA PHE 21 -3.846 0.589 -3.115
137 HB2 PHE 21 HB2 PHE 21 -4.311 0.673 -0.123
138 HB3 PHE 21 HB1 PHE 21 -5.355 1.426 -1.321
139 HD1 PHE 21 HD2 PHE 21 -6.179 -0.252 -3.223
140 HD2 PHE 21 HD1 PHE 21 -4.908 -1.390 0.683
141 HE1 PHE 21 HE2 PHE 21 -7.436 -2.356 -3.430
142 HE2 PHE 21 HE1 PHE 21 -6.163 -3.497 0.476
143 HZ PHE 21 HZ PHE 21 -7.490 -3.945 -1.549
144 H CYS 22 HN CYS 22 -1.430 1.630 -3.289
145 HA CYS 22 HA CYS 22 -1.706 4.330 -2.208
146 HB2 CYS 22 HB2 CYS 22 0.702 2.569 -1.722
147 HB3 CYS 22 HB1 CYS 22 0.653 4.297 -1.397
148 H CYS 23 HN CYS 23 -0.632 5.904 -3.383
149 HA CYS 23 HA CYS 23 0.361 5.381 -5.981
150 HB2 CYS 23 HB2 CYS 23 1.126 7.789 -4.324
151 HB3 CYS 23 HB1 CYS 23 0.909 7.694 -6.073
152 H ASP 24 HN ASP 24 2.729 5.885 -6.598
153 HA ASP 24 HA ASP 24 4.450 4.140 -5.297
154 HB2 ASP 24 HB2 ASP 24 4.947 4.900 -7.536
155 HB3 ASP 24 HB1 ASP 24 5.143 6.557 -6.974
156 H THR 25 HN THR 25 4.288 7.672 -4.942
157 HA THR 25 HA THR 25 6.307 7.923 -3.012
158 HB THR 25 HB THR 25 3.876 9.695 -3.270
159 HG1 THR 25 HG1 THR 25 4.616 10.091 -5.214
160 HG21 THR 25 HG21 THR 25 5.285 10.149 -1.319
161 HG22 THR 25 HG22 THR 25 5.408 11.450 -2.503
162 HG23 THR 25 HG23 THR 25 6.703 10.260 -2.362
163 H CYS 26 HN CYS 26 2.798 7.565 -2.661
164 HA CYS 26 HA CYS 26 2.711 7.722 0.143
165 HB2 CYS 26 HB2 CYS 26 0.812 6.317 -1.748
166 HB3 CYS 26 HB1 CYS 26 0.448 6.782 -0.087
167 H SER 27 HN SER 27 3.315 5.076 -2.047
168 HA SER 27 HA SER 27 3.095 2.969 -0.146
169 HB2 SER 27 HB2 SER 27 2.942 2.617 -2.596
170 HB3 SER 27 HB1 SER 27 4.643 3.046 -2.751
171 HG SER 27 HG SER 27 4.446 0.810 -2.671
172 H ARG 28 HN ARG 28 5.699 5.103 -1.138
173 HA ARG 28 HA ARG 28 7.790 3.534 -0.003
174 HB2 ARG 28 HB2 ARG 28 7.692 6.416 -0.875
175 HB3 ARG 28 HB1 ARG 28 9.158 5.608 -0.338
176 HG2 ARG 28 HG2 ARG 28 8.979 4.033 -2.188
177 HG3 ARG 28 HG1 ARG 28 7.489 4.813 -2.718
178 HD2 ARG 28 HD2 ARG 28 8.790 6.939 -2.942
179 HD3 ARG 28 HD1 ARG 28 10.253 6.008 -2.632
180 HE ARG 28 HE ARG 28 8.474 5.620 -4.963
181 HH11 ARG 28 HH11 ARG 28 11.651 5.442 -3.480
182 HH12 ARG 28 HH12 ARG 28 12.450 5.023 -4.961
183 HH21 ARG 28 HH21 ARG 28 9.521 5.055 -6.886
184 HH22 ARG 28 HH22 ARG 28 11.234 4.783 -6.898
185 H VAL 29 HN VAL 29 5.699 6.042 1.192
186 HA VAL 29 HA VAL 29 7.413 6.501 3.491
187 HB VAL 29 HB VAL 29 5.742 8.264 4.098
188 HG11 VAL 29 HG11 VAL 29 7.761 8.843 2.922
189 HG12 VAL 29 HG12 VAL 29 6.423 9.777 2.254
190 HG13 VAL 29 HG13 VAL 29 7.044 8.377 1.381
191 HG21 VAL 29 HG21 VAL 29 4.601 7.626 1.381
192 HG22 VAL 29 HG22 VAL 29 4.121 8.958 2.432
193 HG23 VAL 29 HG23 VAL 29 3.813 7.292 2.920
194 H PHE 30 HN PHE 30 4.208 5.144 2.815
195 HA PHE 30 HA PHE 30 4.180 4.190 5.607
196 HB2 PHE 30 HB2 PHE 30 1.708 5.004 4.065
197 HB3 PHE 30 HB1 PHE 30 1.792 4.513 5.752
198 HD1 PHE 30 HD2 PHE 30 3.775 6.046 7.002
199 HD2 PHE 30 HD1 PHE 30 1.189 7.232 3.829
200 HE1 PHE 30 HE2 PHE 30 4.025 8.398 7.676
201 HE2 PHE 30 HE1 PHE 30 1.444 9.583 4.499
202 HZ PHE 30 HZ PHE 30 2.835 10.169 6.415
203 H HIS 31 HN HIS 31 5.292 2.577 3.882
204 HA HIS 31 HA HIS 31 3.634 1.047 2.226
205 HB2 HIS 31 HB2 HIS 31 6.156 1.158 2.162
206 HB3 HIS 31 HB1 HIS 31 6.165 0.061 3.538
207 HD1 HIS 31 HD1 HIS 31 4.655 0.067 0.008
208 HD2 HIS 31 HD2 HIS 31 6.386 -2.488 2.798
209 HE1 HIS 31 HE1 HIS 31 4.790 -2.210 -1.092
210 H GLU 32 HN GLU 32 4.622 0.525 5.595
211 HA GLU 32 HA GLU 32 3.613 -2.097 5.821
212 HB2 GLU 32 HB2 GLU 32 3.995 0.015 7.953
213 HB3 GLU 32 HB1 GLU 32 3.592 -1.660 8.288
214 HG2 GLU 32 HG2 GLU 32 5.896 -1.491 8.645
215 HG3 GLU 32 HG1 GLU 32 5.730 -2.270 7.074
216 H ASP 33 HN ASP 33 2.216 1.024 6.666
217 HA ASP 33 HA ASP 33 -0.268 -0.051 7.554
218 HB2 ASP 33 HB2 ASP 33 0.605 2.746 6.862
219 HB3 ASP 33 HB1 ASP 33 -1.025 2.373 7.410
220 H CYS 34 HN CYS 34 0.984 0.822 4.486
221 HA CYS 34 HA CYS 34 -1.336 1.513 3.095
222 HB2 CYS 34 HB2 CYS 34 0.997 1.741 2.231
223 HB3 CYS 34 HB1 CYS 34 1.036 -0.007 1.999
224 H HIS 35 HN HIS 35 -0.067 -1.611 4.006
225 HA HIS 35 HA HIS 35 -1.912 -3.006 2.244
226 HB2 HIS 35 HB2 HIS 35 0.195 -4.053 4.141
227 HB3 HIS 35 HB1 HIS 35 -0.767 -5.046 3.048
228 HD1 HIS 35 HD1 HIS 35 -0.095 -5.013 0.521
229 HD2 HIS 35 HD2 HIS 35 2.146 -2.468 2.926
230 HE1 HIS 35 HE1 HIS 35 1.903 -4.300 -0.858
231 H ILE 36 HN ILE 36 -3.236 -1.520 4.120
232 HA ILE 36 HA ILE 36 -4.476 -3.645 5.739
233 HB ILE 36 HB ILE 36 -4.254 -0.725 6.502
234 HG12 ILE 36 HG12 ILE 36 -2.954 -3.164 7.737
235 HG13 ILE 36 HG11 ILE 36 -2.127 -1.954 6.763
236 HG21 ILE 36 HG21 ILE 36 -6.350 -1.696 7.241
237 HG22 ILE 36 HG22 ILE 36 -5.285 -1.425 8.620
238 HG23 ILE 36 HG23 ILE 36 -5.487 -3.052 7.969
239 HD11 ILE 36 HD11 ILE 36 -3.456 -1.472 9.421
240 HD12 ILE 36 HD12 ILE 36 -2.616 -0.262 8.453
241 HD13 ILE 36 HD13 ILE 36 -1.722 -1.620 9.137
242 HA PRO 37 HA PRO 37 -6.226 -4.544 6.182
243 HB2 PRO 37 HB2 PRO 37 -8.038 -5.840 4.297
244 HB3 PRO 37 HB1 PRO 37 -8.270 -5.526 6.021
245 HG2 PRO 37 HG2 PRO 37 -9.677 -4.245 4.086
246 HG3 PRO 37 HG1 PRO 37 -9.278 -3.492 5.641
247 HD2 PRO 37 HD2 PRO 37 -7.955 -3.147 2.973
248 HD3 PRO 37 HD1 PRO 37 -8.359 -1.925 4.198
249 HA PRO 38 HA PRO 38 -3.304 -6.623 3.565
250 HB2 PRO 38 HB2 PRO 38 -2.972 -8.908 4.974
251 HB3 PRO 38 HB1 PRO 38 -2.325 -7.354 5.515
252 HG2 PRO 38 HG2 PRO 38 -4.810 -8.781 6.382
253 HG3 PRO 38 HG1 PRO 38 -3.612 -7.920 7.368
254 HD2 PRO 38 HD2 PRO 38 -6.002 -6.824 6.640
255 HD3 PRO 38 HD1 PRO 38 -4.538 -5.857 6.915
256 H VAL 39 HN VAL 39 -5.363 -6.755 2.097
257 HA VAL 39 HA VAL 39 -6.290 -9.510 1.809
258 HB VAL 39 HB VAL 39 -7.813 -8.550 0.066
259 HG11 VAL 39 HG11 VAL 39 -9.273 -7.390 1.679
260 HG12 VAL 39 HG12 VAL 39 -7.928 -7.318 2.817
261 HG13 VAL 39 HG13 VAL 39 -8.596 -8.878 2.336
262 HG21 VAL 39 HG21 VAL 39 -8.081 -6.129 -0.057
263 HG22 VAL 39 HG22 VAL 39 -6.448 -6.597 -0.534
264 HG23 VAL 39 HG23 VAL 39 -6.738 -5.912 1.065
265 H GLU 40 HN GLU 40 -6.245 -10.543 -0.300
266 HA GLU 40 HA GLU 40 -4.158 -9.532 -2.101
267 HB2 GLU 40 HB2 GLU 40 -3.165 -11.742 -2.293
268 HB3 GLU 40 HB1 GLU 40 -3.159 -11.237 -0.610
269 HG2 GLU 40 HG2 GLU 40 -5.277 -13.029 -1.759
270 HG3 GLU 40 HG1 GLU 40 -3.772 -13.641 -1.082
271 H ALA 41 HN ALA 41 -7.179 -9.782 -2.090
272 HA ALA 41 HA ALA 41 -7.451 -10.996 -4.717
273 HB1 ALA 41 HB1 ALA 41 -9.058 -11.966 -2.360
274 HB2 ALA 41 HB2 ALA 41 -7.823 -12.878 -3.228
275 HB3 ALA 41 HB3 ALA 41 -9.320 -12.425 -4.040
276 H GLU 42 HN GLU 42 -7.871 -8.363 -3.075
277 HA GLU 42 HA GLU 42 -10.504 -7.763 -4.259
278 HB2 GLU 42 HB2 GLU 42 -9.574 -7.010 -1.483
279 HB3 GLU 42 HB1 GLU 42 -10.981 -6.307 -2.270
280 HG2 GLU 42 HG2 GLU 42 -12.009 -8.520 -2.404
281 HG3 GLU 42 HG1 GLU 42 -10.603 -9.220 -1.604
282 H ARG 43 HN ARG 43 -8.605 -7.119 -5.806
283 HA ARG 43 HA ARG 43 -7.497 -4.508 -5.100
284 HB2 ARG 43 HB2 ARG 43 -6.163 -4.823 -7.220
285 HB3 ARG 43 HB1 ARG 43 -5.828 -5.952 -5.922
286 HG2 ARG 43 HG2 ARG 43 -7.424 -7.542 -7.104
287 HG3 ARG 43 HG1 ARG 43 -7.306 -6.442 -8.481
288 HD2 ARG 43 HD2 ARG 43 -5.692 -8.328 -8.585
289 HD3 ARG 43 HD1 ARG 43 -4.920 -6.741 -8.576
290 HE ARG 43 HE ARG 43 -5.179 -7.806 -5.939
291 HH11 ARG 43 HH11 ARG 43 -3.230 -8.070 -8.845
292 HH12 ARG 43 HH12 ARG 43 -1.799 -8.530 -7.981
293 HH21 ARG 43 HH21 ARG 43 -3.343 -8.371 -4.817
294 HH22 ARG 43 HH22 ARG 43 -1.856 -8.701 -5.666
295 H THR 44 HN THR 44 -10.296 -4.856 -5.721
296 HA THR 44 HA THR 44 -10.483 -2.626 -7.506
297 HB THR 44 HB THR 44 -10.494 -4.471 -9.133
298 HG1 THR 44 HG1 THR 44 -11.793 -3.175 -10.149
299 HG21 THR 44 HG21 THR 44 -12.402 -6.029 -9.227
300 HG22 THR 44 HG22 THR 44 -12.970 -5.409 -7.677
301 HG23 THR 44 HG23 THR 44 -11.430 -6.261 -7.775
302 HA PRO 45 HA PRO 45 -11.772 -1.066 -8.018
303 HB2 PRO 45 HB2 PRO 45 -12.360 1.004 -6.019
304 HB3 PRO 45 HB1 PRO 45 -12.951 0.854 -7.677
305 HG2 PRO 45 HG2 PRO 45 -14.560 0.463 -5.553
306 HG3 PRO 45 HG1 PRO 45 -14.748 -0.463 -7.060
307 HD2 PRO 45 HD2 PRO 45 -13.431 -1.281 -4.484
308 HD3 PRO 45 HD1 PRO 45 -14.522 -2.212 -5.534
309 H TRP 46 HN TRP 46 -9.839 0.176 -8.071
310 HA TRP 46 HA TRP 46 -8.104 -0.294 -5.746
311 HB2 TRP 46 HB2 TRP 46 -7.361 -1.221 -7.956
312 HB3 TRP 46 HB1 TRP 46 -7.299 0.424 -8.581
313 HD1 TRP 46 HD1 TRP 46 -5.465 -1.939 -6.196
314 HE1 TRP 46 HE1 TRP 46 -3.137 -0.967 -5.690
315 HE3 TRP 46 HE3 TRP 46 -5.978 2.626 -8.460
316 HZ2 TRP 46 HZ2 TRP 46 -1.711 1.418 -6.179
317 HZ3 TRP 46 HZ3 TRP 46 -4.079 4.191 -8.392
318 HH2 TRP 46 HH2 TRP 46 -1.994 3.600 -7.275
319 H ASN 47 HN ASN 47 -7.608 1.389 -4.493
320 HA ASN 47 HA ASN 47 -7.379 4.057 -5.628
321 HB2 ASN 47 HB2 ASN 47 -9.318 3.363 -3.406
322 HB3 ASN 47 HB1 ASN 47 -8.815 5.002 -3.783
323 HD21 ASN 47 HD21 ASN 47 -9.483 5.936 -5.734
324 HD22 ASN 47 HD22 ASN 47 -10.853 5.326 -6.594
325 H CYS 48 HN CYS 48 -6.064 5.421 -4.406
326 HA CYS 48 HA CYS 48 -4.399 4.173 -2.412
327 HB2 CYS 48 HB2 CYS 48 -3.402 5.784 -3.957
328 HB3 CYS 48 HB1 CYS 48 -4.524 7.029 -3.422
329 H ILE 49 HN ILE 49 -5.169 3.870 -0.438
330 HA ILE 49 HA ILE 49 -7.481 5.070 0.580
331 HB ILE 49 HB ILE 49 -6.732 4.170 2.818
332 HG12 ILE 49 HG12 ILE 49 -4.425 3.107 1.164
333 HG13 ILE 49 HG11 ILE 49 -4.311 4.287 2.461
334 HG21 ILE 49 HG21 ILE 49 -7.026 1.812 2.141
335 HG22 ILE 49 HG22 ILE 49 -6.831 2.297 0.459
336 HG23 ILE 49 HG23 ILE 49 -8.196 2.897 1.395
337 HD11 ILE 49 HD11 ILE 49 -3.609 2.104 3.216
338 HD12 ILE 49 HD12 ILE 49 -5.164 1.418 2.745
339 HD13 ILE 49 HD13 ILE 49 -5.079 2.600 4.051
340 H PHE 50 HN PHE 50 -4.121 6.020 0.895
341 HA PHE 50 HA PHE 50 -4.630 7.890 2.999
342 HB2 PHE 50 HB2 PHE 50 -2.249 7.636 1.143
343 HB3 PHE 50 HB1 PHE 50 -2.321 8.704 2.542
344 HD1 PHE 50 HD1 PHE 50 -2.749 7.633 4.826
345 HD2 PHE 50 HD2 PHE 50 -1.549 5.420 1.390
346 HE1 PHE 50 HE1 PHE 50 -1.997 5.798 6.274
347 HE2 PHE 50 HE2 PHE 50 -0.796 3.583 2.835
348 HZ PHE 50 HZ PHE 50 -1.023 3.766 5.279
349 H CYS 51 HN CYS 51 -4.393 8.131 -0.521
350 HA CYS 51 HA CYS 51 -4.640 10.989 -0.476
351 HB2 CYS 51 HB2 CYS 51 -4.660 8.948 -2.678
352 HB3 CYS 51 HB1 CYS 51 -5.078 10.629 -2.998
353 H ARG 52 HN ARG 52 -6.880 8.284 -0.960
354 HA ARG 52 HA ARG 52 -9.050 10.042 -1.666
355 HB2 ARG 52 HB2 ARG 52 -8.979 7.096 -1.027
356 HB3 ARG 52 HB1 ARG 52 -10.446 7.957 -1.464
357 HG2 ARG 52 HG2 ARG 52 -8.000 7.634 -3.195
358 HG3 ARG 52 HG1 ARG 52 -9.518 6.752 -3.360
359 HD2 ARG 52 HD2 ARG 52 -9.691 8.428 -4.967
360 HD3 ARG 52 HD1 ARG 52 -10.600 9.074 -3.605
361 HE ARG 52 HE ARG 52 -7.791 9.838 -3.911
362 HH11 ARG 52 HH11 ARG 52 -11.176 10.721 -4.111
363 HH12 ARG 52 HH12 ARG 52 -10.858 12.425 -4.146
364 HH21 ARG 52 HH21 ARG 52 -7.374 12.086 -3.953
365 HH22 ARG 52 HH22 ARG 52 -8.698 13.202 -4.043
366 H MET 53 HN MET 53 -7.826 8.608 1.255
367 HA MET 53 HA MET 53 -9.971 9.972 2.728
368 HB2 MET 53 HB2 MET 53 -10.422 7.539 2.704
369 HB3 MET 53 HB1 MET 53 -8.839 7.246 3.408
370 HG2 MET 53 HG2 MET 53 -10.641 7.124 5.057
371 HG3 MET 53 HG1 MET 53 -9.476 8.394 5.431
372 HE1 MET 53 HE1 MET 53 -11.217 9.433 7.162
373 HE2 MET 53 HE2 MET 53 -12.380 8.169 6.763
374 HE3 MET 53 HE3 MET 53 -12.875 9.861 6.740
375 H LYS 54 HN LYS 54 -8.515 11.694 3.022
376 HA LYS 54 HA LYS 54 -6.336 11.122 4.922
377 HB2 LYS 54 HB2 LYS 54 -5.288 13.235 4.077
378 HB3 LYS 54 HB1 LYS 54 -5.382 11.950 2.881
379 HG2 LYS 54 HG2 LYS 54 -7.303 13.016 1.846
380 HG3 LYS 54 HG1 LYS 54 -7.290 14.275 3.081
381 HD2 LYS 54 HD2 LYS 54 -6.252 15.081 1.034
382 HD3 LYS 54 HD1 LYS 54 -5.059 14.978 2.328
383 HE2 LYS 54 HE2 LYS 54 -4.259 12.850 1.426
384 HE3 LYS 54 HE1 LYS 54 -5.462 12.939 0.140
385 HZ1 LYS 54 HZ1 LYS 54 -3.260 14.884 0.576
386 HZ2 LYS 54 HZ2 LYS 54 -4.399 14.944 -0.672
387 HZ3 LYS 54 HZ3 LYS 54 -3.283 13.679 -0.609
388 H GLU 55 HN GLU 55 -9.048 11.495 5.669
389 HA GLU 55 HA GLU 55 -9.269 14.251 6.583
390 HB2 GLU 55 HB2 GLU 55 -11.216 11.969 6.937
391 HB3 GLU 55 HB1 GLU 55 -11.531 13.670 7.241
392 HG2 GLU 55 HG2 GLU 55 -10.959 12.415 4.569
393 HG3 GLU 55 HG1 GLU 55 -12.525 12.974 5.151
394 H SER 56 HN SER 56 -7.839 14.483 8.247
395 HA SER 56 HA SER 56 -8.618 13.202 10.736
396 HB2 SER 56 HB2 SER 56 -6.756 11.820 9.710
397 HB3 SER 56 HB1 SER 56 -5.711 13.229 9.882
398 HG SER 56 HG SER 56 -5.355 12.335 11.774
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 13.802 7.383 -6.328
2 H2 GLY 1 HT2 GLY 1 13.290 8.153 -4.912
3 H3 GLY 1 HT3 GLY 1 12.343 8.235 -6.306
4 HA2 GLY 1 HA1 GLY 1 12.920 5.795 -4.731
5 HA3 GLY 1 HA2 GLY 1 11.396 6.667 -4.750
6 H ALA 2 HN ALA 2 11.712 3.939 -5.374
7 HA ALA 2 HA ALA 2 11.009 2.379 -6.857
8 HB1 ALA 2 HB1 ALA 2 9.086 3.926 -7.116
9 HB2 ALA 2 HB2 ALA 2 9.433 2.988 -8.568
10 HB3 ALA 2 HB3 ALA 2 9.921 4.680 -8.474
11 H MET 3 HN MET 3 13.578 2.713 -7.057
12 HA MET 3 HA MET 3 14.513 3.589 -9.618
13 HB2 MET 3 HB2 MET 3 15.905 3.569 -7.544
14 HB3 MET 3 HB1 MET 3 15.897 1.814 -7.599
15 HG2 MET 3 HG2 MET 3 17.040 1.887 -9.769
16 HG3 MET 3 HG1 MET 3 17.073 3.646 -9.681
17 HE1 MET 3 HE1 MET 3 19.394 0.838 -6.848
18 HE2 MET 3 HE2 MET 3 18.380 0.292 -8.183
19 HE3 MET 3 HE3 MET 3 17.643 1.026 -6.759
20 H GLY 4 HN GLY 4 13.176 0.683 -8.385
21 HA2 GLY 4 HA2 GLY 4 12.422 -0.777 -10.341
22 HA3 GLY 4 HA1 GLY 4 14.137 -0.829 -10.729
23 H MET 5 HN MET 5 12.727 -0.891 -7.515
24 HA MET 5 HA MET 5 13.652 -3.664 -7.207
25 HB2 MET 5 HB2 MET 5 13.997 -1.423 -5.203
26 HB3 MET 5 HB1 MET 5 14.423 -3.106 -4.932
27 HG2 MET 5 HG2 MET 5 16.096 -2.982 -6.689
28 HG3 MET 5 HG1 MET 5 15.651 -1.308 -7.009
29 HE1 MET 5 HE1 MET 5 16.749 0.462 -3.683
30 HE2 MET 5 HE2 MET 5 15.166 -0.260 -3.966
31 HE3 MET 5 HE3 MET 5 15.961 0.653 -5.249
32 H ARG 6 HN ARG 6 12.109 -4.963 -6.470
33 HA ARG 6 HA ARG 6 10.022 -3.831 -4.744
34 HB2 ARG 6 HB2 ARG 6 9.668 -5.652 -7.111
35 HB3 ARG 6 HB1 ARG 6 8.473 -5.576 -5.828
36 HG2 ARG 6 HG2 ARG 6 9.379 -3.200 -7.434
37 HG3 ARG 6 HG1 ARG 6 7.960 -4.175 -7.817
38 HD2 ARG 6 HD2 ARG 6 7.164 -2.303 -6.616
39 HD3 ARG 6 HD1 ARG 6 7.135 -3.651 -5.484
40 HE ARG 6 HE ARG 6 9.565 -2.137 -5.338
41 HH11 ARG 6 HH11 ARG 6 6.236 -2.270 -4.257
42 HH12 ARG 6 HH12 ARG 6 6.517 -1.269 -2.869
43 HH21 ARG 6 HH21 ARG 6 9.943 -0.861 -3.493
44 HH22 ARG 6 HH22 ARG 6 8.632 -0.484 -2.419
45 H ASN 7 HN ASN 7 12.301 -4.990 -3.777
46 HA ASN 7 HA ASN 7 11.413 -7.661 -2.923
47 HB2 ASN 7 HB2 ASN 7 13.694 -7.564 -3.885
48 HB3 ASN 7 HB1 ASN 7 14.153 -6.409 -2.641
49 HD21 ASN 7 HD21 ASN 7 13.263 -9.732 -3.272
50 HD22 ASN 7 HD22 ASN 7 13.879 -10.378 -1.792
51 H LEU 8 HN LEU 8 9.964 -7.115 -1.377
52 HA LEU 8 HA LEU 8 10.954 -5.553 0.899
53 HB2 LEU 8 HB2 LEU 8 8.169 -6.279 0.023
54 HB3 LEU 8 HB1 LEU 8 8.511 -5.621 1.607
55 HG LEU 8 HG LEU 8 7.749 -3.814 0.307
56 HD11 LEU 8 HD11 LEU 8 9.734 -3.327 1.667
57 HD12 LEU 8 HD12 LEU 8 9.601 -2.287 0.250
58 HD13 LEU 8 HD13 LEU 8 10.750 -3.623 0.255
59 HD21 LEU 8 HD21 LEU 8 9.713 -4.598 -1.835
60 HD22 LEU 8 HD22 LEU 8 8.632 -3.205 -1.870
61 HD23 LEU 8 HD23 LEU 8 7.968 -4.839 -1.894
62 H ASP 9 HN ASP 9 11.865 -6.776 2.384
63 HA ASP 9 HA ASP 9 11.122 -9.582 2.589
64 HB2 ASP 9 HB2 ASP 9 13.525 -8.882 2.474
65 HB3 ASP 9 HB1 ASP 9 13.324 -8.123 4.051
66 H GLU 10 HN GLU 10 10.587 -6.612 4.205
67 HA GLU 10 HA GLU 10 9.893 -7.881 6.727
68 HB2 GLU 10 HB2 GLU 10 9.828 -5.002 5.817
69 HB3 GLU 10 HB1 GLU 10 9.362 -5.536 7.425
70 HG2 GLU 10 HG2 GLU 10 12.081 -5.913 6.200
71 HG3 GLU 10 HG1 GLU 10 11.644 -4.631 7.330
72 H CYS 11 HN CYS 11 8.447 -7.206 3.798
73 HA CYS 11 HA CYS 11 5.778 -6.881 4.977
74 HB2 CYS 11 HB2 CYS 11 6.614 -5.148 3.352
75 HB3 CYS 11 HB1 CYS 11 6.592 -6.391 2.114
76 H GLU 12 HN GLU 12 5.282 -8.976 5.420
77 HA GLU 12 HA GLU 12 5.846 -11.204 3.809
78 HB2 GLU 12 HB2 GLU 12 5.232 -11.242 6.234
79 HB3 GLU 12 HB1 GLU 12 3.577 -10.874 5.774
80 HG2 GLU 12 HG2 GLU 12 3.790 -13.225 6.208
81 HG3 GLU 12 HG1 GLU 12 3.492 -12.968 4.489
82 H VAL 13 HN VAL 13 3.227 -8.918 3.818
83 HA VAL 13 HA VAL 13 1.456 -10.476 2.254
84 HB VAL 13 HB VAL 13 0.480 -8.817 3.631
85 HG11 VAL 13 HG11 VAL 13 0.880 -6.454 3.429
86 HG12 VAL 13 HG12 VAL 13 2.027 -6.732 2.123
87 HG13 VAL 13 HG13 VAL 13 2.391 -7.299 3.752
88 HG21 VAL 13 HG21 VAL 13 -0.668 -9.201 1.516
89 HG22 VAL 13 HG22 VAL 13 0.265 -7.899 0.774
90 HG23 VAL 13 HG23 VAL 13 -0.879 -7.538 2.067
91 H CYS 14 HN CYS 14 3.818 -7.940 1.413
92 HA CYS 14 HA CYS 14 3.217 -7.874 -1.345
93 HB2 CYS 14 HB2 CYS 14 5.527 -7.067 0.326
94 HB3 CYS 14 HB1 CYS 14 5.852 -7.337 -1.380
95 H ARG 15 HN ARG 15 5.263 -9.926 0.591
96 HA ARG 15 HA ARG 15 6.553 -11.309 -1.505
97 HB2 ARG 15 HB2 ARG 15 7.392 -11.340 0.778
98 HB3 ARG 15 HB1 ARG 15 5.933 -12.152 1.326
99 HG2 ARG 15 HG2 ARG 15 6.526 -14.098 -0.051
100 HG3 ARG 15 HG1 ARG 15 8.020 -13.286 -0.522
101 HD2 ARG 15 HD2 ARG 15 7.232 -13.913 2.316
102 HD3 ARG 15 HD1 ARG 15 8.303 -14.913 1.336
103 HE ARG 15 HE ARG 15 9.861 -13.041 1.294
104 HH11 ARG 15 HH11 ARG 15 7.296 -12.902 3.690
105 HH12 ARG 15 HH12 ARG 15 8.199 -11.864 4.761
106 HH21 ARG 15 HH21 ARG 15 11.035 -11.706 2.715
107 HH22 ARG 15 HH22 ARG 15 10.311 -11.181 4.205
108 H ASP 16 HN ASP 16 3.569 -11.882 0.259
109 HA ASP 16 HA ASP 16 2.926 -14.313 -1.085
110 HB2 ASP 16 HB2 ASP 16 2.066 -13.743 1.153
111 HB3 ASP 16 HB1 ASP 16 1.145 -12.415 0.462
112 H GLY 17 HN GLY 17 2.916 -11.145 -2.151
113 HA2 GLY 17 HA2 GLY 17 2.296 -10.399 -4.282
114 HA3 GLY 17 HA1 GLY 17 1.341 -11.863 -4.492
115 H GLY 18 HN GLY 18 0.956 -10.140 -1.584
116 HA2 GLY 18 HA2 GLY 18 -1.793 -9.755 -1.871
117 HA3 GLY 18 HA1 GLY 18 -0.783 -8.991 -0.662
118 H GLU 19 HN GLU 19 -2.747 -7.526 -1.304
119 HA GLU 19 HA GLU 19 -2.335 -5.956 -3.697
120 HB2 GLU 19 HB2 GLU 19 -4.429 -5.790 -1.525
121 HB3 GLU 19 HB1 GLU 19 -4.459 -4.891 -3.038
122 HG2 GLU 19 HG2 GLU 19 -4.717 -6.878 -4.309
123 HG3 GLU 19 HG1 GLU 19 -4.407 -7.889 -2.899
124 H LEU 20 HN LEU 20 -2.306 -3.638 -3.644
125 HA LEU 20 HA LEU 20 -1.273 -2.408 -1.196
126 HB2 LEU 20 HB2 LEU 20 0.579 -3.225 -2.763
127 HB3 LEU 20 HB1 LEU 20 0.018 -2.015 -3.898
128 HG LEU 20 HG LEU 20 0.930 -1.294 -1.113
129 HD11 LEU 20 HD11 LEU 20 2.606 -1.299 -3.627
130 HD12 LEU 20 HD12 LEU 20 2.732 -2.494 -2.338
131 HD13 LEU 20 HD13 LEU 20 3.113 -0.806 -2.011
132 HD21 LEU 20 HD21 LEU 20 0.738 0.305 -3.670
133 HD22 LEU 20 HD22 LEU 20 1.268 0.907 -2.101
134 HD23 LEU 20 HD23 LEU 20 -0.400 0.381 -2.326
135 H PHE 21 HN PHE 21 -2.335 -0.500 -0.855
136 HA PHE 21 HA PHE 21 -3.868 0.579 -3.143
137 HB2 PHE 21 HB2 PHE 21 -4.609 0.645 -0.202
138 HB3 PHE 21 HB1 PHE 21 -5.575 1.303 -1.520
139 HD1 PHE 21 HD2 PHE 21 -6.525 -0.285 -3.236
140 HD2 PHE 21 HD1 PHE 21 -4.748 -1.624 0.398
141 HE1 PHE 21 HE2 PHE 21 -7.631 -2.465 -3.500
142 HE2 PHE 21 HE1 PHE 21 -5.854 -3.805 0.136
143 HZ PHE 21 HZ PHE 21 -7.294 -4.228 -1.812
144 H CYS 22 HN CYS 22 -1.611 1.735 -3.294
145 HA CYS 22 HA CYS 22 -1.956 4.395 -2.183
146 HB2 CYS 22 HB2 CYS 22 0.202 2.525 -1.316
147 HB3 CYS 22 HB1 CYS 22 0.607 4.226 -1.510
148 H CYS 23 HN CYS 23 -0.599 5.987 -3.170
149 HA CYS 23 HA CYS 23 0.313 5.460 -5.838
150 HB2 CYS 23 HB2 CYS 23 1.099 7.883 -4.224
151 HB3 CYS 23 HB1 CYS 23 0.792 7.770 -5.957
152 H ASP 24 HN ASP 24 2.649 5.861 -6.479
153 HA ASP 24 HA ASP 24 4.351 4.122 -5.183
154 HB2 ASP 24 HB2 ASP 24 4.873 4.827 -7.412
155 HB3 ASP 24 HB1 ASP 24 5.044 6.504 -6.901
156 H THR 25 HN THR 25 4.319 7.667 -4.827
157 HA THR 25 HA THR 25 6.375 7.790 -2.919
158 HB THR 25 HB THR 25 4.049 9.697 -3.195
159 HG1 THR 25 HG1 THR 25 5.033 10.455 -4.922
160 HG21 THR 25 HG21 THR 25 6.829 10.081 -2.080
161 HG22 THR 25 HG22 THR 25 5.338 10.019 -1.141
162 HG23 THR 25 HG23 THR 25 5.616 11.344 -2.271
163 H CYS 26 HN CYS 26 2.860 7.576 -2.527
164 HA CYS 26 HA CYS 26 2.808 7.723 0.276
165 HB2 CYS 26 HB2 CYS 26 0.863 6.344 -1.591
166 HB3 CYS 26 HB1 CYS 26 0.532 6.814 0.075
167 H SER 27 HN SER 27 3.121 5.003 -1.941
168 HA SER 27 HA SER 27 3.011 2.928 -0.032
169 HB2 SER 27 HB2 SER 27 4.496 2.961 -2.668
170 HB3 SER 27 HB1 SER 27 3.944 1.539 -1.785
171 HG SER 27 HG SER 27 2.579 2.251 -3.564
172 H ARG 28 HN ARG 28 5.596 5.007 -1.148
173 HA ARG 28 HA ARG 28 7.705 3.479 0.017
174 HB2 ARG 28 HB2 ARG 28 7.485 6.226 -1.157
175 HB3 ARG 28 HB1 ARG 28 8.962 5.712 -0.353
176 HG2 ARG 28 HG2 ARG 28 9.501 4.224 -1.991
177 HG3 ARG 28 HG1 ARG 28 7.818 3.933 -2.430
178 HD2 ARG 28 HD2 ARG 28 9.129 5.168 -4.153
179 HD3 ARG 28 HD1 ARG 28 7.683 6.007 -3.593
180 HE ARG 28 HE ARG 28 9.927 6.837 -2.086
181 HH11 ARG 28 HH11 ARG 28 8.507 7.132 -5.283
182 HH12 ARG 28 HH12 ARG 28 9.172 8.720 -5.558
183 HH21 ARG 28 HH21 ARG 28 10.783 8.927 -2.454
184 HH22 ARG 28 HH22 ARG 28 10.460 9.732 -3.960
185 H VAL 29 HN VAL 29 5.747 6.201 1.059
186 HA VAL 29 HA VAL 29 7.413 6.680 3.360
187 HB VAL 29 HB VAL 29 4.744 7.917 2.690
188 HG11 VAL 29 HG11 VAL 29 5.359 8.172 5.033
189 HG12 VAL 29 HG12 VAL 29 5.471 9.715 4.188
190 HG13 VAL 29 HG13 VAL 29 6.935 8.808 4.562
191 HG21 VAL 29 HG21 VAL 29 7.537 8.872 2.076
192 HG22 VAL 29 HG22 VAL 29 6.060 9.797 1.817
193 HG23 VAL 29 HG23 VAL 29 6.343 8.316 0.903
194 H PHE 30 HN PHE 30 4.287 5.160 2.715
195 HA PHE 30 HA PHE 30 4.282 4.231 5.517
196 HB2 PHE 30 HB2 PHE 30 1.807 5.047 3.979
197 HB3 PHE 30 HB1 PHE 30 1.871 4.476 5.640
198 HD1 PHE 30 HD2 PHE 30 3.309 5.918 7.276
199 HD2 PHE 30 HD1 PHE 30 1.759 7.317 3.563
200 HE1 PHE 30 HE2 PHE 30 3.535 8.238 8.057
201 HE2 PHE 30 HE1 PHE 30 1.989 9.639 4.343
202 HZ PHE 30 HZ PHE 30 2.772 10.100 6.615
203 H HIS 31 HN HIS 31 5.390 2.632 3.729
204 HA HIS 31 HA HIS 31 3.898 1.153 1.965
205 HB2 HIS 31 HB2 HIS 31 6.377 1.080 2.215
206 HB3 HIS 31 HB1 HIS 31 6.166 0.088 3.652
207 HD1 HIS 31 HD1 HIS 31 5.273 -0.102 -0.070
208 HD2 HIS 31 HD2 HIS 31 6.222 -2.539 3.161
209 HE1 HIS 31 HE1 HIS 31 5.425 -2.465 -0.978
210 H GLU 32 HN GLU 32 4.427 0.424 5.398
211 HA GLU 32 HA GLU 32 3.184 -2.123 5.321
212 HB2 GLU 32 HB2 GLU 32 3.471 -0.303 7.710
213 HB3 GLU 32 HB1 GLU 32 3.314 -2.055 7.723
214 HG2 GLU 32 HG2 GLU 32 5.481 -2.338 6.801
215 HG3 GLU 32 HG1 GLU 32 5.627 -0.615 6.456
216 H ASP 33 HN ASP 33 2.101 1.097 6.047
217 HA ASP 33 HA ASP 33 -0.481 0.398 7.018
218 HB2 ASP 33 HB2 ASP 33 0.513 3.030 5.916
219 HB3 ASP 33 HB1 ASP 33 -0.933 2.798 6.893
220 H CYS 34 HN CYS 34 0.907 0.896 3.923
221 HA CYS 34 HA CYS 34 -1.515 1.527 2.535
222 HB2 CYS 34 HB2 CYS 34 1.288 0.871 1.678
223 HB3 CYS 34 HB1 CYS 34 -0.007 1.093 0.503
224 H HIS 35 HN HIS 35 -0.380 -1.319 3.814
225 HA HIS 35 HA HIS 35 -1.812 -2.939 1.815
226 HB2 HIS 35 HB2 HIS 35 0.111 -3.789 3.994
227 HB3 HIS 35 HB1 HIS 35 -0.739 -4.894 2.917
228 HD1 HIS 35 HD1 HIS 35 0.068 -4.942 0.400
229 HD2 HIS 35 HD2 HIS 35 2.251 -2.450 2.907
230 HE1 HIS 35 HE1 HIS 35 2.178 -4.331 -0.857
231 H ILE 36 HN ILE 36 -2.860 -1.185 4.029
232 HA ILE 36 HA ILE 36 -4.608 -3.198 5.264
233 HB ILE 36 HB ILE 36 -3.511 -0.739 6.640
234 HG12 ILE 36 HG12 ILE 36 -2.970 -3.665 7.192
235 HG13 ILE 36 HG11 ILE 36 -1.847 -2.556 6.412
236 HG21 ILE 36 HG21 ILE 36 -4.656 -1.596 8.633
237 HG22 ILE 36 HG22 ILE 36 -5.344 -2.901 7.666
238 HG23 ILE 36 HG23 ILE 36 -5.786 -1.228 7.330
239 HD11 ILE 36 HD11 ILE 36 -1.766 -1.216 8.459
240 HD12 ILE 36 HD12 ILE 36 -1.268 -2.884 8.741
241 HD13 ILE 36 HD13 ILE 36 -2.874 -2.347 9.235
242 HA PRO 37 HA PRO 37 -6.317 -3.690 5.510
243 HB2 PRO 37 HB2 PRO 37 -8.948 -3.989 4.757
244 HB3 PRO 37 HB1 PRO 37 -8.423 -3.364 6.323
245 HG2 PRO 37 HG2 PRO 37 -9.772 -1.961 4.206
246 HG3 PRO 37 HG1 PRO 37 -9.290 -1.348 5.795
247 HD2 PRO 37 HD2 PRO 37 -7.962 -1.030 3.178
248 HD3 PRO 37 HD1 PRO 37 -7.807 -0.050 4.652
249 HA PRO 38 HA PRO 38 -5.880 -5.533 1.438
250 HB2 PRO 38 HB2 PRO 38 -5.642 -8.113 2.223
251 HB3 PRO 38 HB1 PRO 38 -4.324 -6.947 2.392
252 HG2 PRO 38 HG2 PRO 38 -6.258 -7.944 4.444
253 HG3 PRO 38 HG1 PRO 38 -4.522 -7.619 4.605
254 HD2 PRO 38 HD2 PRO 38 -6.478 -5.898 5.468
255 HD3 PRO 38 HD1 PRO 38 -4.853 -5.374 4.979
256 H VAL 39 HN VAL 39 -8.123 -4.899 1.023
257 HA VAL 39 HA VAL 39 -10.255 -6.629 1.817
258 HB VAL 39 HB VAL 39 -11.635 -5.186 0.266
259 HG11 VAL 39 HG11 VAL 39 -10.012 -3.847 2.426
260 HG12 VAL 39 HG12 VAL 39 -11.515 -4.745 2.643
261 HG13 VAL 39 HG13 VAL 39 -11.518 -3.222 1.753
262 HG21 VAL 39 HG21 VAL 39 -9.051 -3.635 0.056
263 HG22 VAL 39 HG22 VAL 39 -10.628 -3.095 -0.518
264 HG23 VAL 39 HG23 VAL 39 -9.851 -4.493 -1.260
265 H GLU 40 HN GLU 40 -9.354 -8.589 0.975
266 HA GLU 40 HA GLU 40 -8.857 -9.025 -1.772
267 HB2 GLU 40 HB2 GLU 40 -9.522 -11.067 0.355
268 HB3 GLU 40 HB1 GLU 40 -8.723 -11.381 -1.179
269 HG2 GLU 40 HG2 GLU 40 -6.795 -10.130 -0.496
270 HG3 GLU 40 HG1 GLU 40 -7.604 -9.613 0.984
271 H ALA 41 HN ALA 41 -11.765 -9.044 0.095
272 HA ALA 41 HA ALA 41 -13.235 -10.579 -1.895
273 HB1 ALA 41 HB1 ALA 41 -15.145 -10.333 -0.422
274 HB2 ALA 41 HB2 ALA 41 -14.255 -9.192 0.582
275 HB3 ALA 41 HB3 ALA 41 -13.742 -10.876 0.495
276 H GLU 42 HN GLU 42 -12.339 -7.383 -1.346
277 HA GLU 42 HA GLU 42 -14.559 -6.321 -2.949
278 HB2 GLU 42 HB2 GLU 42 -12.344 -4.804 -1.547
279 HB3 GLU 42 HB1 GLU 42 -13.749 -4.105 -2.333
280 HG2 GLU 42 HG2 GLU 42 -13.800 -5.863 0.107
281 HG3 GLU 42 HG1 GLU 42 -13.969 -4.110 0.092
282 H ARG 43 HN ARG 43 -11.091 -5.547 -2.761
283 HA ARG 43 HA ARG 43 -9.534 -5.095 -4.341
284 HB2 ARG 43 HB2 ARG 43 -9.985 -7.566 -4.700
285 HB3 ARG 43 HB1 ARG 43 -10.994 -7.098 -6.061
286 HG2 ARG 43 HG2 ARG 43 -9.213 -6.494 -7.350
287 HG3 ARG 43 HG1 ARG 43 -8.209 -6.074 -5.960
288 HD2 ARG 43 HD2 ARG 43 -8.988 -8.872 -6.763
289 HD3 ARG 43 HD1 ARG 43 -7.430 -8.114 -7.099
290 HE ARG 43 HE ARG 43 -7.659 -7.844 -4.422
291 HH11 ARG 43 HH11 ARG 43 -7.997 -10.611 -6.549
292 HH12 ARG 43 HH12 ARG 43 -7.449 -11.749 -5.359
293 HH21 ARG 43 HH21 ARG 43 -6.938 -9.322 -2.858
294 HH22 ARG 43 HH22 ARG 43 -6.831 -11.019 -3.257
295 H THR 44 HN THR 44 -12.027 -3.604 -4.310
296 HA THR 44 HA THR 44 -11.578 -1.812 -6.358
297 HB THR 44 HB THR 44 -12.398 -3.536 -7.911
298 HG1 THR 44 HG1 THR 44 -14.598 -1.949 -8.086
299 HG21 THR 44 HG21 THR 44 -14.764 -4.249 -7.836
300 HG22 THR 44 HG22 THR 44 -14.936 -3.440 -6.279
301 HG23 THR 44 HG23 THR 44 -13.842 -4.813 -6.443
302 HA PRO 45 HA PRO 45 -12.486 -0.095 -7.215
303 HB2 PRO 45 HB2 PRO 45 -12.489 2.516 -6.562
304 HB3 PRO 45 HB1 PRO 45 -13.945 1.716 -7.176
305 HG2 PRO 45 HG2 PRO 45 -13.195 2.392 -4.354
306 HG3 PRO 45 HG1 PRO 45 -14.764 2.568 -5.172
307 HD2 PRO 45 HD2 PRO 45 -14.135 0.476 -3.513
308 HD3 PRO 45 HD1 PRO 45 -15.321 0.364 -4.826
309 H TRP 46 HN TRP 46 -10.314 0.362 -7.521
310 HA TRP 46 HA TRP 46 -8.621 0.255 -5.185
311 HB2 TRP 46 HB2 TRP 46 -8.038 -0.929 -7.333
312 HB3 TRP 46 HB1 TRP 46 -7.787 0.650 -8.074
313 HD1 TRP 46 HD1 TRP 46 -6.233 -1.748 -5.541
314 HE1 TRP 46 HE1 TRP 46 -3.809 -1.017 -5.070
315 HE3 TRP 46 HE3 TRP 46 -6.215 2.698 -8.073
316 HZ2 TRP 46 HZ2 TRP 46 -2.120 1.152 -5.690
317 HZ3 TRP 46 HZ3 TRP 46 -4.153 4.041 -8.080
318 HH2 TRP 46 HH2 TRP 46 -2.150 3.284 -6.912
319 H ASN 47 HN ASN 47 -8.041 1.971 -4.079
320 HA ASN 47 HA ASN 47 -7.361 4.439 -5.417
321 HB2 ASN 47 HB2 ASN 47 -9.881 4.478 -4.959
322 HB3 ASN 47 HB1 ASN 47 -9.468 4.511 -3.248
323 HD21 ASN 47 HD21 ASN 47 -9.473 6.264 -6.234
324 HD22 ASN 47 HD22 ASN 47 -9.101 7.814 -5.562
325 H CYS 48 HN CYS 48 -5.865 5.578 -4.278
326 HA CYS 48 HA CYS 48 -4.445 4.335 -2.190
327 HB2 CYS 48 HB2 CYS 48 -3.364 5.915 -3.675
328 HB3 CYS 48 HB1 CYS 48 -4.458 7.193 -3.173
329 H ILE 49 HN ILE 49 -5.109 4.059 -0.196
330 HA ILE 49 HA ILE 49 -7.379 5.199 0.937
331 HB ILE 49 HB ILE 49 -6.463 4.361 3.141
332 HG12 ILE 49 HG12 ILE 49 -4.234 3.320 1.370
333 HG13 ILE 49 HG11 ILE 49 -4.068 4.588 2.579
334 HG21 ILE 49 HG21 ILE 49 -7.961 3.009 1.839
335 HG22 ILE 49 HG22 ILE 49 -6.689 1.980 2.498
336 HG23 ILE 49 HG23 ILE 49 -6.641 2.467 0.804
337 HD11 ILE 49 HD11 ILE 49 -4.681 2.974 4.319
338 HD12 ILE 49 HD12 ILE 49 -3.237 2.497 3.427
339 HD13 ILE 49 HD13 ILE 49 -4.779 1.713 3.089
340 H PHE 50 HN PHE 50 -4.022 6.245 1.155
341 HA PHE 50 HA PHE 50 -4.525 8.142 3.229
342 HB2 PHE 50 HB2 PHE 50 -2.201 7.657 1.380
343 HB3 PHE 50 HB1 PHE 50 -2.235 9.063 2.444
344 HD1 PHE 50 HD1 PHE 50 -2.103 8.812 4.847
345 HD2 PHE 50 HD2 PHE 50 -1.951 5.417 2.281
346 HE1 PHE 50 HE1 PHE 50 -1.299 7.440 6.714
347 HE2 PHE 50 HE2 PHE 50 -1.147 4.040 4.150
348 HZ PHE 50 HZ PHE 50 -0.825 5.057 6.374
349 H CYS 51 HN CYS 51 -4.193 8.393 -0.295
350 HA CYS 51 HA CYS 51 -4.615 11.220 -0.276
351 HB2 CYS 51 HB2 CYS 51 -4.600 9.178 -2.496
352 HB3 CYS 51 HB1 CYS 51 -4.933 10.883 -2.782
353 H ARG 52 HN ARG 52 -6.687 8.421 -0.400
354 HA ARG 52 HA ARG 52 -9.041 9.706 -1.273
355 HB2 ARG 52 HB2 ARG 52 -8.792 7.246 -1.152
356 HB3 ARG 52 HB1 ARG 52 -8.769 7.345 0.604
357 HG2 ARG 52 HG2 ARG 52 -10.949 6.647 -0.198
358 HG3 ARG 52 HG1 ARG 52 -11.050 8.226 0.583
359 HD2 ARG 52 HD2 ARG 52 -10.970 9.300 -1.628
360 HD3 ARG 52 HD1 ARG 52 -10.936 7.711 -2.385
361 HE ARG 52 HE ARG 52 -13.177 7.570 -0.925
362 HH11 ARG 52 HH11 ARG 52 -11.975 10.071 -3.061
363 HH12 ARG 52 HH12 ARG 52 -13.553 10.573 -3.573
364 HH21 ARG 52 HH21 ARG 52 -15.255 8.220 -1.595
365 HH22 ARG 52 HH22 ARG 52 -15.429 9.508 -2.742
366 H MET 53 HN MET 53 -7.517 9.380 1.865
367 HA MET 53 HA MET 53 -9.675 10.733 3.243
368 HB2 MET 53 HB2 MET 53 -6.933 9.855 4.170
369 HB3 MET 53 HB1 MET 53 -8.110 10.643 5.206
370 HG2 MET 53 HG2 MET 53 -9.640 8.797 4.929
371 HG3 MET 53 HG1 MET 53 -8.528 8.015 3.807
372 HE1 MET 53 HE1 MET 53 -9.126 9.175 7.495
373 HE2 MET 53 HE2 MET 53 -7.599 9.971 7.117
374 HE3 MET 53 HE3 MET 53 -7.641 8.660 8.294
375 H LYS 54 HN LYS 54 -7.246 11.703 1.261
376 HA LYS 54 HA LYS 54 -6.105 13.614 0.840
377 HB2 LYS 54 HB2 LYS 54 -8.162 14.810 2.706
378 HB3 LYS 54 HB1 LYS 54 -7.044 15.744 1.722
379 HG2 LYS 54 HG2 LYS 54 -8.055 14.963 -0.298
380 HG3 LYS 54 HG1 LYS 54 -9.052 13.809 0.590
381 HD2 LYS 54 HD2 LYS 54 -10.311 15.818 -0.087
382 HD3 LYS 54 HD1 LYS 54 -10.252 15.617 1.663
383 HE2 LYS 54 HE2 LYS 54 -8.446 17.263 1.791
384 HE3 LYS 54 HE1 LYS 54 -8.494 17.456 0.040
385 HZ1 LYS 54 HZ1 LYS 54 -10.739 18.298 0.217
386 HZ2 LYS 54 HZ2 LYS 54 -9.704 19.213 1.193
387 HZ3 LYS 54 HZ3 LYS 54 -10.732 18.066 1.892
388 H GLU 55 HN GLU 55 -5.381 11.869 3.103
389 HA GLU 55 HA GLU 55 -3.734 13.781 4.596
390 HB2 GLU 55 HB2 GLU 55 -5.391 11.566 5.811
391 HB3 GLU 55 HB1 GLU 55 -4.113 12.413 6.666
392 HG2 GLU 55 HG2 GLU 55 -5.355 14.524 6.360
393 HG3 GLU 55 HG1 GLU 55 -6.655 13.613 5.595
394 H SER 56 HN SER 56 -1.757 13.246 3.981
395 HA SER 56 HA SER 56 -0.914 10.471 4.351
396 HB2 SER 56 HB2 SER 56 -1.288 10.956 1.896
397 HB3 SER 56 HB1 SER 56 -0.018 12.172 2.007
398 HG SER 56 HG SER 56 0.672 9.691 2.995
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 18.217 3.741 -13.143
2 H2 GLY 1 HT2 GLY 1 17.037 3.015 -12.178
3 H3 GLY 1 HT3 GLY 1 18.263 2.076 -12.861
4 HA2 GLY 1 HA1 GLY 1 18.650 2.474 -10.499
5 HA3 GLY 1 HA2 GLY 1 19.923 3.136 -11.515
6 H ALA 2 HN ALA 2 19.919 4.187 -9.149
7 HA ALA 2 HA ALA 2 19.777 6.082 -7.910
8 HB1 ALA 2 HB1 ALA 2 19.199 7.386 -10.569
9 HB2 ALA 2 HB2 ALA 2 20.803 7.052 -9.918
10 HB3 ALA 2 HB3 ALA 2 19.743 8.203 -9.104
11 H MET 3 HN MET 3 17.503 4.561 -7.786
12 HA MET 3 HA MET 3 15.405 6.625 -7.636
13 HB2 MET 3 HB2 MET 3 13.731 5.031 -8.308
14 HB3 MET 3 HB1 MET 3 14.998 5.062 -9.525
15 HG2 MET 3 HG2 MET 3 15.947 3.012 -8.570
16 HG3 MET 3 HG1 MET 3 14.644 2.979 -7.383
17 HE1 MET 3 HE1 MET 3 12.049 2.960 -8.144
18 HE2 MET 3 HE2 MET 3 11.514 2.570 -9.776
19 HE3 MET 3 HE3 MET 3 12.268 4.128 -9.446
20 H GLY 4 HN GLY 4 17.353 4.670 -5.916
21 HA2 GLY 4 HA2 GLY 4 17.278 4.424 -3.576
22 HA3 GLY 4 HA1 GLY 4 15.546 4.720 -3.627
23 H MET 5 HN MET 5 15.837 2.806 -2.070
24 HA MET 5 HA MET 5 16.104 0.254 -3.440
25 HB2 MET 5 HB2 MET 5 15.680 0.968 -0.538
26 HB3 MET 5 HB1 MET 5 15.748 -0.685 -1.130
27 HG2 MET 5 HG2 MET 5 17.965 1.329 -1.416
28 HG3 MET 5 HG1 MET 5 17.874 0.097 -0.160
29 HE1 MET 5 HE1 MET 5 20.742 -1.250 -2.445
30 HE2 MET 5 HE2 MET 5 20.266 -0.813 -0.804
31 HE3 MET 5 HE3 MET 5 20.397 0.433 -2.044
32 H ARG 6 HN ARG 6 14.395 -0.530 -4.459
33 HA ARG 6 HA ARG 6 11.726 0.069 -3.376
34 HB2 ARG 6 HB2 ARG 6 12.609 -0.554 -6.192
35 HB3 ARG 6 HB1 ARG 6 10.923 -0.528 -5.699
36 HG2 ARG 6 HG2 ARG 6 12.812 1.807 -5.473
37 HG3 ARG 6 HG1 ARG 6 11.668 1.556 -6.791
38 HD2 ARG 6 HD2 ARG 6 10.653 3.080 -5.277
39 HD3 ARG 6 HD1 ARG 6 9.839 1.533 -5.070
40 HE ARG 6 HE ARG 6 12.011 2.251 -3.234
41 HH11 ARG 6 HH11 ARG 6 8.588 1.751 -3.786
42 HH12 ARG 6 HH12 ARG 6 8.214 1.614 -2.097
43 HH21 ARG 6 HH21 ARG 6 11.515 2.079 -1.021
44 HH22 ARG 6 HH22 ARG 6 9.874 1.795 -0.525
45 H ASN 7 HN ASN 7 13.312 -1.934 -2.288
46 HA ASN 7 HA ASN 7 12.110 -4.429 -3.222
47 HB2 ASN 7 HB2 ASN 7 13.724 -5.555 -1.802
48 HB3 ASN 7 HB1 ASN 7 14.566 -4.351 -2.767
49 HD21 ASN 7 HD21 ASN 7 13.783 -5.427 0.385
50 HD22 ASN 7 HD22 ASN 7 14.616 -4.178 1.257
51 H LEU 8 HN LEU 8 10.517 -5.421 -2.131
52 HA LEU 8 HA LEU 8 9.552 -4.095 0.311
53 HB2 LEU 8 HB2 LEU 8 7.967 -5.839 -1.569
54 HB3 LEU 8 HB1 LEU 8 7.344 -4.814 -0.290
55 HG LEU 8 HG LEU 8 8.693 -3.821 -2.802
56 HD11 LEU 8 HD11 LEU 8 6.465 -3.057 -3.452
57 HD12 LEU 8 HD12 LEU 8 5.784 -3.847 -2.029
58 HD13 LEU 8 HD13 LEU 8 6.539 -4.812 -3.297
59 HD21 LEU 8 HD21 LEU 8 9.023 -2.318 -0.921
60 HD22 LEU 8 HD22 LEU 8 7.291 -2.329 -0.590
61 HD23 LEU 8 HD23 LEU 8 7.898 -1.620 -2.086
62 H ASP 9 HN ASP 9 11.072 -5.394 1.540
63 HA ASP 9 HA ASP 9 10.491 -8.260 1.586
64 HB2 ASP 9 HB2 ASP 9 12.884 -6.675 2.482
65 HB3 ASP 9 HB1 ASP 9 12.661 -8.372 2.900
66 H GLU 10 HN GLU 10 10.401 -5.401 3.577
67 HA GLU 10 HA GLU 10 9.982 -6.806 6.031
68 HB2 GLU 10 HB2 GLU 10 9.164 -3.980 5.333
69 HB3 GLU 10 HB1 GLU 10 9.283 -4.658 6.948
70 HG2 GLU 10 HG2 GLU 10 11.714 -4.977 6.565
71 HG3 GLU 10 HG1 GLU 10 11.537 -4.122 5.034
72 H CYS 11 HN CYS 11 7.983 -5.414 3.527
73 HA CYS 11 HA CYS 11 5.492 -6.035 4.750
74 HB2 CYS 11 HB2 CYS 11 5.829 -4.244 3.090
75 HB3 CYS 11 HB1 CYS 11 6.161 -5.461 1.868
76 H GLU 12 HN GLU 12 5.318 -8.149 5.256
77 HA GLU 12 HA GLU 12 6.176 -10.299 3.652
78 HB2 GLU 12 HB2 GLU 12 4.122 -10.258 5.862
79 HB3 GLU 12 HB1 GLU 12 4.937 -11.689 5.240
80 HG2 GLU 12 HG2 GLU 12 7.057 -10.894 6.033
81 HG3 GLU 12 HG1 GLU 12 6.344 -9.359 6.520
82 H VAL 13 HN VAL 13 3.137 -8.595 3.930
83 HA VAL 13 HA VAL 13 1.531 -10.496 2.618
84 HB VAL 13 HB VAL 13 0.547 -8.776 4.011
85 HG11 VAL 13 HG11 VAL 13 2.062 -6.952 3.496
86 HG12 VAL 13 HG12 VAL 13 0.380 -6.468 3.286
87 HG13 VAL 13 HG13 VAL 13 1.375 -6.830 1.877
88 HG21 VAL 13 HG21 VAL 13 -1.305 -8.090 2.573
89 HG22 VAL 13 HG22 VAL 13 -0.862 -9.776 2.295
90 HG23 VAL 13 HG23 VAL 13 -0.361 -8.532 1.151
91 H CYS 14 HN CYS 14 3.538 -7.886 1.335
92 HA CYS 14 HA CYS 14 2.533 -8.035 -1.310
93 HB2 CYS 14 HB2 CYS 14 4.914 -6.844 -0.028
94 HB3 CYS 14 HB1 CYS 14 5.052 -7.198 -1.746
95 H ARG 15 HN ARG 15 4.932 -9.869 0.439
96 HA ARG 15 HA ARG 15 5.981 -11.289 -1.782
97 HB2 ARG 15 HB2 ARG 15 5.835 -11.951 1.149
98 HB3 ARG 15 HB1 ARG 15 6.581 -13.029 -0.022
99 HG2 ARG 15 HG2 ARG 15 8.173 -11.257 -0.618
100 HG3 ARG 15 HG1 ARG 15 7.435 -10.211 0.599
101 HD2 ARG 15 HD2 ARG 15 8.060 -11.727 2.355
102 HD3 ARG 15 HD1 ARG 15 8.648 -12.905 1.186
103 HE ARG 15 HE ARG 15 10.160 -10.709 0.673
104 HH11 ARG 15 HH11 ARG 15 9.431 -12.528 3.567
105 HH12 ARG 15 HH12 ARG 15 10.958 -12.195 4.320
106 HH21 ARG 15 HH21 ARG 15 12.195 -10.271 1.660
107 HH22 ARG 15 HH22 ARG 15 12.516 -10.908 3.248
108 H ASP 16 HN ASP 16 3.250 -11.782 0.354
109 HA ASP 16 HA ASP 16 2.477 -14.309 -0.670
110 HB2 ASP 16 HB2 ASP 16 1.023 -12.179 0.880
111 HB3 ASP 16 HB1 ASP 16 0.195 -13.628 0.325
112 H GLY 17 HN GLY 17 2.321 -11.203 -1.987
113 HA2 GLY 17 HA2 GLY 17 1.691 -10.855 -4.252
114 HA3 GLY 17 HA1 GLY 17 0.567 -12.201 -4.115
115 H GLY 18 HN GLY 18 0.507 -10.100 -1.447
116 HA2 GLY 18 HA2 GLY 18 -2.160 -9.285 -1.930
117 HA3 GLY 18 HA1 GLY 18 -1.094 -8.650 -0.686
118 H GLU 19 HN GLU 19 -3.004 -7.414 -2.690
119 HA GLU 19 HA GLU 19 -1.349 -5.987 -4.531
120 HB2 GLU 19 HB2 GLU 19 -4.250 -5.613 -3.777
121 HB3 GLU 19 HB1 GLU 19 -3.441 -4.778 -5.100
122 HG2 GLU 19 HG2 GLU 19 -2.921 -7.022 -6.078
123 HG3 GLU 19 HG1 GLU 19 -3.954 -7.729 -4.839
124 H LEU 20 HN LEU 20 -0.958 -3.791 -4.605
125 HA LEU 20 HA LEU 20 -0.592 -2.571 -1.981
126 HB2 LEU 20 HB2 LEU 20 1.063 -2.819 -4.088
127 HB3 LEU 20 HB1 LEU 20 0.340 -1.279 -4.494
128 HG LEU 20 HG LEU 20 1.766 -1.854 -1.891
129 HD11 LEU 20 HD11 LEU 20 3.307 -2.021 -3.760
130 HD12 LEU 20 HD12 LEU 20 3.604 -0.535 -2.857
131 HD13 LEU 20 HD13 LEU 20 2.740 -0.475 -4.392
132 HD21 LEU 20 HD21 LEU 20 0.122 -0.022 -1.777
133 HD22 LEU 20 HD22 LEU 20 0.916 0.761 -3.144
134 HD23 LEU 20 HD23 LEU 20 1.777 0.560 -1.618
135 H PHE 21 HN PHE 21 -1.572 -0.627 -1.393
136 HA PHE 21 HA PHE 21 -3.579 0.414 -3.292
137 HB2 PHE 21 HB2 PHE 21 -3.844 0.140 -0.283
138 HB3 PHE 21 HB1 PHE 21 -5.040 0.873 -1.347
139 HD1 PHE 21 HD2 PHE 21 -6.135 -0.573 -3.109
140 HD2 PHE 21 HD1 PHE 21 -3.804 -2.179 0.074
141 HE1 PHE 21 HE2 PHE 21 -7.178 -2.772 -3.457
142 HE2 PHE 21 HE1 PHE 21 -4.848 -4.375 -0.271
143 HZ PHE 21 HZ PHE 21 -6.510 -4.680 -2.058
144 H CYS 22 HN CYS 22 -1.195 1.581 -3.419
145 HA CYS 22 HA CYS 22 -1.627 4.203 -2.247
146 HB2 CYS 22 HB2 CYS 22 0.760 2.481 -1.578
147 HB3 CYS 22 HB1 CYS 22 0.788 4.233 -1.414
148 H CYS 23 HN CYS 23 -0.642 5.848 -3.397
149 HA CYS 23 HA CYS 23 0.467 5.391 -5.959
150 HB2 CYS 23 HB2 CYS 23 1.042 7.876 -4.351
151 HB3 CYS 23 HB1 CYS 23 0.729 7.728 -6.083
152 H ASP 24 HN ASP 24 2.780 5.954 -6.557
153 HA ASP 24 HA ASP 24 4.570 4.318 -5.212
154 HB2 ASP 24 HB2 ASP 24 4.910 5.162 -7.523
155 HB3 ASP 24 HB1 ASP 24 5.294 6.750 -6.866
156 H THR 25 HN THR 25 4.274 7.847 -4.982
157 HA THR 25 HA THR 25 6.305 8.278 -3.108
158 HB THR 25 HB THR 25 3.769 9.894 -3.390
159 HG1 THR 25 HG1 THR 25 5.948 9.520 -5.081
160 HG21 THR 25 HG21 THR 25 5.224 11.767 -2.736
161 HG22 THR 25 HG22 THR 25 6.568 10.643 -2.538
162 HG23 THR 25 HG23 THR 25 5.159 10.527 -1.484
163 H CYS 26 HN CYS 26 2.822 7.778 -2.631
164 HA CYS 26 HA CYS 26 2.820 8.012 0.172
165 HB2 CYS 26 HB2 CYS 26 0.924 6.416 -1.566
166 HB3 CYS 26 HB1 CYS 26 0.596 7.019 0.056
167 H SER 27 HN SER 27 3.409 5.319 -1.984
168 HA SER 27 HA SER 27 3.266 3.250 -0.053
169 HB2 SER 27 HB2 SER 27 3.077 2.952 -2.534
170 HB3 SER 27 HB1 SER 27 4.802 3.280 -2.660
171 HG SER 27 HG SER 27 4.694 1.118 -2.541
172 H ARG 28 HN ARG 28 5.869 5.328 -1.207
173 HA ARG 28 HA ARG 28 7.994 3.856 -0.074
174 HB2 ARG 28 HB2 ARG 28 7.759 6.750 -0.868
175 HB3 ARG 28 HB1 ARG 28 9.258 6.030 -0.298
176 HG2 ARG 28 HG2 ARG 28 9.177 4.438 -2.174
177 HG3 ARG 28 HG1 ARG 28 7.710 5.229 -2.756
178 HD2 ARG 28 HD2 ARG 28 8.982 7.350 -2.916
179 HD3 ARG 28 HD1 ARG 28 10.442 6.471 -2.467
180 HE ARG 28 HE ARG 28 8.881 5.847 -4.904
181 HH11 ARG 28 HH11 ARG 28 11.952 6.420 -3.286
182 HH12 ARG 28 HH12 ARG 28 12.897 6.103 -4.706
183 HH21 ARG 28 HH21 ARG 28 10.133 5.454 -6.762
184 HH22 ARG 28 HH22 ARG 28 11.861 5.611 -6.690
185 H VAL 29 HN VAL 29 5.757 6.146 1.260
186 HA VAL 29 HA VAL 29 7.438 6.549 3.603
187 HB VAL 29 HB VAL 29 4.765 7.828 3.054
188 HG11 VAL 29 HG11 VAL 29 5.556 9.526 4.627
189 HG12 VAL 29 HG12 VAL 29 7.042 8.610 4.866
190 HG13 VAL 29 HG13 VAL 29 5.497 7.930 5.375
191 HG21 VAL 29 HG21 VAL 29 7.518 8.842 2.362
192 HG22 VAL 29 HG22 VAL 29 6.021 9.766 2.229
193 HG23 VAL 29 HG23 VAL 29 6.274 8.343 1.217
194 H PHE 30 HN PHE 30 4.193 5.275 2.803
195 HA PHE 30 HA PHE 30 4.157 4.079 5.502
196 HB2 PHE 30 HB2 PHE 30 1.749 5.222 4.073
197 HB3 PHE 30 HB1 PHE 30 1.758 4.473 5.662
198 HD1 PHE 30 HD2 PHE 30 3.333 5.608 7.425
199 HD2 PHE 30 HD1 PHE 30 1.865 7.522 3.914
200 HE1 PHE 30 HE2 PHE 30 3.747 7.804 8.452
201 HE2 PHE 30 HE1 PHE 30 2.284 9.720 4.936
202 HZ PHE 30 HZ PHE 30 3.133 9.865 7.228
203 H HIS 31 HN HIS 31 5.117 2.579 3.504
204 HA HIS 31 HA HIS 31 3.239 1.171 1.954
205 HB2 HIS 31 HB2 HIS 31 5.700 1.223 1.544
206 HB3 HIS 31 HB1 HIS 31 5.911 0.159 2.928
207 HD1 HIS 31 HD1 HIS 31 4.085 0.097 -0.439
208 HD2 HIS 31 HD2 HIS 31 5.930 -2.430 2.299
209 HE1 HIS 31 HE1 HIS 31 4.065 -2.220 -1.469
210 H GLU 32 HN GLU 32 4.614 0.473 5.139
211 HA GLU 32 HA GLU 32 3.604 -2.162 5.324
212 HB2 GLU 32 HB2 GLU 32 4.413 -0.230 7.507
213 HB3 GLU 32 HB1 GLU 32 4.144 -1.953 7.737
214 HG2 GLU 32 HG2 GLU 32 6.004 -2.503 6.348
215 HG3 GLU 32 HG1 GLU 32 6.191 -0.826 5.842
216 H ASP 33 HN ASP 33 2.436 0.918 6.586
217 HA ASP 33 HA ASP 33 0.026 -0.134 7.681
218 HB2 ASP 33 HB2 ASP 33 0.847 2.681 6.980
219 HB3 ASP 33 HB1 ASP 33 -0.687 2.289 7.747
220 H CYS 34 HN CYS 34 0.981 0.838 4.533
221 HA CYS 34 HA CYS 34 -1.431 1.622 3.376
222 HB2 CYS 34 HB2 CYS 34 0.819 1.807 2.313
223 HB3 CYS 34 HB1 CYS 34 0.792 0.066 2.047
224 H HIS 35 HN HIS 35 -0.229 -1.549 4.154
225 HA HIS 35 HA HIS 35 -2.363 -2.831 2.619
226 HB2 HIS 35 HB2 HIS 35 -0.042 -4.049 4.127
227 HB3 HIS 35 HB1 HIS 35 -1.192 -4.934 3.128
228 HD1 HIS 35 HD1 HIS 35 -0.617 -5.112 0.645
229 HD2 HIS 35 HD2 HIS 35 1.621 -2.241 2.647
230 HE1 HIS 35 HE1 HIS 35 1.230 -4.419 -0.936
231 H ILE 36 HN ILE 36 -2.624 -1.292 5.214
232 HA ILE 36 HA ILE 36 -4.109 -3.377 6.664
233 HB ILE 36 HB ILE 36 -2.649 -1.038 7.909
234 HG12 ILE 36 HG12 ILE 36 -2.087 -4.011 8.030
235 HG13 ILE 36 HG11 ILE 36 -1.115 -2.809 7.189
236 HG21 ILE 36 HG21 ILE 36 -4.236 -3.256 9.198
237 HG22 ILE 36 HG22 ILE 36 -4.722 -1.565 9.076
238 HG23 ILE 36 HG23 ILE 36 -3.322 -2.012 10.051
239 HD11 ILE 36 HD11 ILE 36 -0.574 -1.759 9.328
240 HD12 ILE 36 HD12 ILE 36 -0.095 -3.454 9.294
241 HD13 ILE 36 HD13 ILE 36 -1.548 -2.967 10.164
242 HA PRO 37 HA PRO 37 -5.807 -3.870 7.441
243 HB2 PRO 37 HB2 PRO 37 -8.337 -4.403 6.714
244 HB3 PRO 37 HB1 PRO 37 -7.972 -3.468 8.174
245 HG2 PRO 37 HG2 PRO 37 -8.800 -2.498 5.456
246 HG3 PRO 37 HG1 PRO 37 -9.379 -1.977 7.052
247 HD2 PRO 37 HD2 PRO 37 -7.496 -0.614 5.616
248 HD3 PRO 37 HD1 PRO 37 -7.577 -0.591 7.389
249 HA PRO 38 HA PRO 38 -5.013 -5.818 3.492
250 HB2 PRO 38 HB2 PRO 38 -6.108 -8.298 4.654
251 HB3 PRO 38 HB1 PRO 38 -4.488 -7.973 4.032
252 HG2 PRO 38 HG2 PRO 38 -4.955 -8.248 6.663
253 HG3 PRO 38 HG1 PRO 38 -3.740 -7.114 6.040
254 HD2 PRO 38 HD2 PRO 38 -6.511 -6.561 7.047
255 HD3 PRO 38 HD1 PRO 38 -5.013 -5.633 7.293
256 H VAL 39 HN VAL 39 -6.674 -4.738 2.360
257 HA VAL 39 HA VAL 39 -9.296 -6.042 2.285
258 HB VAL 39 HB VAL 39 -9.149 -3.574 2.672
259 HG11 VAL 39 HG11 VAL 39 -7.274 -3.022 1.275
260 HG12 VAL 39 HG12 VAL 39 -8.688 -2.108 0.751
261 HG13 VAL 39 HG13 VAL 39 -8.158 -3.517 -0.167
262 HG21 VAL 39 HG21 VAL 39 -11.205 -4.533 1.832
263 HG22 VAL 39 HG22 VAL 39 -10.607 -4.416 0.177
264 HG23 VAL 39 HG23 VAL 39 -10.928 -2.952 1.103
265 H GLU 40 HN GLU 40 -6.695 -6.926 1.009
266 HA GLU 40 HA GLU 40 -6.968 -6.551 -1.799
267 HB2 GLU 40 HB2 GLU 40 -5.282 -8.636 -1.687
268 HB3 GLU 40 HB1 GLU 40 -4.777 -6.975 -1.423
269 HG2 GLU 40 HG2 GLU 40 -3.812 -8.430 0.244
270 HG3 GLU 40 HG1 GLU 40 -4.943 -7.309 0.995
271 H ALA 41 HN ALA 41 -8.294 -8.806 0.434
272 HA ALA 41 HA ALA 41 -8.964 -10.778 -1.560
273 HB1 ALA 41 HB1 ALA 41 -8.614 -11.388 0.802
274 HB2 ALA 41 HB2 ALA 41 -10.188 -11.896 0.194
275 HB3 ALA 41 HB3 ALA 41 -10.061 -10.477 1.231
276 H GLU 42 HN GLU 42 -10.125 -7.754 -0.891
277 HA GLU 42 HA GLU 42 -12.891 -8.396 -1.617
278 HB2 GLU 42 HB2 GLU 42 -11.654 -5.771 -0.767
279 HB3 GLU 42 HB1 GLU 42 -13.357 -6.031 -1.096
280 HG2 GLU 42 HG2 GLU 42 -11.767 -7.345 1.093
281 HG3 GLU 42 HG1 GLU 42 -12.899 -6.009 1.290
282 H ARG 43 HN ARG 43 -9.963 -7.343 -2.959
283 HA ARG 43 HA ARG 43 -9.319 -6.586 -4.988
284 HB2 ARG 43 HB2 ARG 43 -11.913 -7.904 -5.779
285 HB3 ARG 43 HB1 ARG 43 -10.727 -7.306 -6.933
286 HG2 ARG 43 HG2 ARG 43 -9.047 -8.820 -5.904
287 HG3 ARG 43 HG1 ARG 43 -10.332 -9.485 -4.895
288 HD2 ARG 43 HD2 ARG 43 -11.537 -10.208 -6.882
289 HD3 ARG 43 HD1 ARG 43 -10.291 -9.499 -7.909
290 HE ARG 43 HE ARG 43 -9.269 -11.419 -6.035
291 HH11 ARG 43 HH11 ARG 43 -10.735 -11.011 -9.184
292 HH12 ARG 43 HH12 ARG 43 -10.079 -12.488 -9.820
293 HH21 ARG 43 HH21 ARG 43 -8.413 -13.361 -6.862
294 HH22 ARG 43 HH22 ARG 43 -8.770 -13.831 -8.494
295 H THR 44 HN THR 44 -9.506 -4.433 -4.203
296 HA THR 44 HA THR 44 -11.752 -2.803 -4.471
297 HB THR 44 HB THR 44 -8.870 -1.917 -4.625
298 HG1 THR 44 HG1 THR 44 -10.550 -2.637 -2.448
299 HG21 THR 44 HG21 THR 44 -9.706 0.162 -3.642
300 HG22 THR 44 HG22 THR 44 -11.350 -0.475 -3.660
301 HG23 THR 44 HG23 THR 44 -10.508 -0.161 -5.178
302 HA PRO 45 HA PRO 45 -8.877 -4.292 -6.110
303 HB2 PRO 45 HB2 PRO 45 -7.309 -4.551 -8.242
304 HB3 PRO 45 HB1 PRO 45 -8.935 -5.255 -8.228
305 HG2 PRO 45 HG2 PRO 45 -7.955 -2.757 -9.555
306 HG3 PRO 45 HG1 PRO 45 -9.131 -3.956 -10.137
307 HD2 PRO 45 HD2 PRO 45 -9.751 -1.512 -8.910
308 HD3 PRO 45 HD1 PRO 45 -10.863 -2.874 -9.138
309 H TRP 46 HN TRP 46 -8.518 -1.062 -7.066
310 HA TRP 46 HA TRP 46 -6.049 -0.839 -5.553
311 HB2 TRP 46 HB2 TRP 46 -5.338 -1.214 -7.935
312 HB3 TRP 46 HB1 TRP 46 -6.223 0.242 -8.381
313 HD1 TRP 46 HD1 TRP 46 -3.041 -0.908 -6.638
314 HE1 TRP 46 HE1 TRP 46 -1.484 1.110 -6.300
315 HE3 TRP 46 HE3 TRP 46 -6.224 2.829 -8.090
316 HZ2 TRP 46 HZ2 TRP 46 -1.588 3.913 -6.604
317 HZ3 TRP 46 HZ3 TRP 46 -5.411 5.151 -8.037
318 HH2 TRP 46 HH2 TRP 46 -3.143 5.680 -7.310
319 H ASN 47 HN ASN 47 -6.098 0.913 -4.322
320 HA ASN 47 HA ASN 47 -6.915 3.458 -5.237
321 HB2 ASN 47 HB2 ASN 47 -9.181 2.563 -4.831
322 HB3 ASN 47 HB1 ASN 47 -8.728 2.169 -3.177
323 HD21 ASN 47 HD21 ASN 47 -9.412 4.739 -5.428
324 HD22 ASN 47 HD22 ASN 47 -9.644 5.979 -4.244
325 H CYS 48 HN CYS 48 -5.737 4.901 -4.130
326 HA CYS 48 HA CYS 48 -4.073 4.004 -1.984
327 HB2 CYS 48 HB2 CYS 48 -3.339 5.668 -3.678
328 HB3 CYS 48 HB1 CYS 48 -4.507 6.809 -3.030
329 H ILE 49 HN ILE 49 -5.053 3.563 -0.131
330 HA ILE 49 HA ILE 49 -7.438 4.666 0.795
331 HB ILE 49 HB ILE 49 -6.815 3.725 3.030
332 HG12 ILE 49 HG12 ILE 49 -4.285 2.902 1.579
333 HG13 ILE 49 HG11 ILE 49 -4.388 4.043 2.916
334 HG21 ILE 49 HG21 ILE 49 -8.021 2.378 1.436
335 HG22 ILE 49 HG22 ILE 49 -6.843 1.373 2.280
336 HG23 ILE 49 HG23 ILE 49 -6.520 1.916 0.636
337 HD11 ILE 49 HD11 ILE 49 -4.995 1.100 3.011
338 HD12 ILE 49 HD12 ILE 49 -5.209 2.221 4.355
339 HD13 ILE 49 HD13 ILE 49 -3.597 1.919 3.708
340 H PHE 50 HN PHE 50 -4.158 5.790 1.203
341 HA PHE 50 HA PHE 50 -4.797 7.634 3.297
342 HB2 PHE 50 HB2 PHE 50 -2.400 7.590 1.443
343 HB3 PHE 50 HB1 PHE 50 -2.548 8.563 2.905
344 HD1 PHE 50 HD1 PHE 50 -2.938 7.302 5.115
345 HD2 PHE 50 HD2 PHE 50 -1.511 5.440 1.559
346 HE1 PHE 50 HE1 PHE 50 -2.061 5.435 6.446
347 HE2 PHE 50 HE2 PHE 50 -0.634 3.572 2.891
348 HZ PHE 50 HZ PHE 50 -0.908 3.565 5.335
349 H CYS 51 HN CYS 51 -4.234 7.991 -0.211
350 HA CYS 51 HA CYS 51 -4.757 10.771 -0.255
351 HB2 CYS 51 HB2 CYS 51 -4.707 8.656 -2.387
352 HB3 CYS 51 HB1 CYS 51 -5.259 10.281 -2.762
353 H ARG 52 HN ARG 52 -6.828 7.982 -0.294
354 HA ARG 52 HA ARG 52 -9.152 9.252 -1.283
355 HB2 ARG 52 HB2 ARG 52 -8.903 6.820 -1.270
356 HB3 ARG 52 HB1 ARG 52 -8.874 6.816 0.486
357 HG2 ARG 52 HG2 ARG 52 -11.161 7.549 0.581
358 HG3 ARG 52 HG1 ARG 52 -11.209 7.748 -1.171
359 HD2 ARG 52 HD2 ARG 52 -12.298 5.683 -0.550
360 HD3 ARG 52 HD1 ARG 52 -10.815 5.337 -1.435
361 HE ARG 52 HE ARG 52 -10.562 5.322 1.450
362 HH11 ARG 52 HH11 ARG 52 -11.121 3.454 -1.455
363 HH12 ARG 52 HH12 ARG 52 -10.716 1.940 -0.713
364 HH21 ARG 52 HH21 ARG 52 -10.027 3.328 2.429
365 HH22 ARG 52 HH22 ARG 52 -10.093 1.868 1.494
366 H MET 53 HN MET 53 -7.587 9.326 1.788
367 HA MET 53 HA MET 53 -10.029 10.444 3.005
368 HB2 MET 53 HB2 MET 53 -7.691 9.175 4.445
369 HB3 MET 53 HB1 MET 53 -9.187 9.739 5.175
370 HG2 MET 53 HG2 MET 53 -8.858 7.433 3.274
371 HG3 MET 53 HG1 MET 53 -9.220 7.347 4.996
372 HE1 MET 53 HE1 MET 53 -11.504 8.185 6.061
373 HE2 MET 53 HE2 MET 53 -12.848 8.835 5.124
374 HE3 MET 53 HE3 MET 53 -11.354 9.758 5.278
375 H LYS 54 HN LYS 54 -7.828 11.797 1.438
376 HA LYS 54 HA LYS 54 -6.574 13.466 3.443
377 HB2 LYS 54 HB2 LYS 54 -6.435 13.442 0.437
378 HB3 LYS 54 HB1 LYS 54 -5.721 14.735 1.390
379 HG2 LYS 54 HG2 LYS 54 -4.379 13.040 2.600
380 HG3 LYS 54 HG1 LYS 54 -5.020 11.810 1.513
381 HD2 LYS 54 HD2 LYS 54 -4.046 12.969 -0.395
382 HD3 LYS 54 HD1 LYS 54 -3.446 14.243 0.668
383 HE2 LYS 54 HE2 LYS 54 -2.638 11.336 0.738
384 HE3 LYS 54 HE1 LYS 54 -1.670 12.666 0.107
385 HZ1 LYS 54 HZ1 LYS 54 -0.974 12.081 2.329
386 HZ2 LYS 54 HZ2 LYS 54 -2.534 12.325 2.929
387 HZ3 LYS 54 HZ3 LYS 54 -1.645 13.634 2.334
388 H GLU 55 HN GLU 55 -8.752 14.124 0.687
389 HA GLU 55 HA GLU 55 -10.295 15.745 0.328
390 HB2 GLU 55 HB2 GLU 55 -10.505 15.301 3.276
391 HB3 GLU 55 HB1 GLU 55 -11.399 16.623 2.545
392 HG2 GLU 55 HG2 GLU 55 -12.783 14.654 2.781
393 HG3 GLU 55 HG1 GLU 55 -12.548 15.057 1.084
394 H SER 56 HN SER 56 -8.251 16.956 -0.278
395 HA SER 56 HA SER 56 -8.296 19.500 1.175
396 HB2 SER 56 HB2 SER 56 -6.236 18.163 1.764
397 HB3 SER 56 HB1 SER 56 -5.756 18.275 0.073
398 HG SER 56 HG SER 56 -6.118 20.404 1.921
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 17.267 5.317 -10.424
2 H2 GLY 1 HT2 GLY 1 18.137 4.903 -11.814
3 H3 GLY 1 HT3 GLY 1 18.829 4.687 -10.286
4 HA2 GLY 1 HA1 GLY 1 16.456 3.244 -11.314
5 HA3 GLY 1 HA2 GLY 1 18.082 2.583 -11.216
6 H ALA 2 HN ALA 2 15.962 1.337 -9.962
7 HA ALA 2 HA ALA 2 16.235 2.078 -7.130
8 HB1 ALA 2 HB1 ALA 2 14.260 0.202 -8.434
9 HB2 ALA 2 HB2 ALA 2 13.951 1.885 -8.002
10 HB3 ALA 2 HB3 ALA 2 14.268 0.695 -6.741
11 H MET 3 HN MET 3 17.281 -0.204 -9.423
12 HA MET 3 HA MET 3 18.588 -2.044 -9.338
13 HB2 MET 3 HB2 MET 3 18.944 -1.234 -6.457
14 HB3 MET 3 HB1 MET 3 19.777 -2.596 -7.191
15 HG2 MET 3 HG2 MET 3 19.995 0.287 -8.009
16 HG3 MET 3 HG1 MET 3 21.209 -0.661 -7.153
17 HE1 MET 3 HE1 MET 3 21.931 0.990 -9.711
18 HE2 MET 3 HE2 MET 3 22.881 -0.166 -10.641
19 HE3 MET 3 HE3 MET 3 23.097 -0.049 -8.897
20 H GLY 4 HN GLY 4 17.167 -2.260 -6.078
21 HA2 GLY 4 HA2 GLY 4 16.518 -5.007 -6.374
22 HA3 GLY 4 HA1 GLY 4 15.923 -3.941 -5.107
23 H MET 5 HN MET 5 14.424 -2.143 -6.249
24 HA MET 5 HA MET 5 12.447 -1.634 -7.215
25 HB2 MET 5 HB2 MET 5 13.596 -2.293 -9.301
26 HB3 MET 5 HB1 MET 5 13.032 -3.943 -9.075
27 HG2 MET 5 HG2 MET 5 10.722 -3.186 -9.262
28 HG3 MET 5 HG1 MET 5 11.282 -1.526 -9.466
29 HE1 MET 5 HE1 MET 5 9.292 -2.812 -11.503
30 HE2 MET 5 HE2 MET 5 10.005 -2.343 -13.045
31 HE3 MET 5 HE3 MET 5 9.967 -1.197 -11.705
32 H ARG 6 HN ARG 6 10.805 -1.958 -5.903
33 HA ARG 6 HA ARG 6 9.204 -2.936 -4.636
34 HB2 ARG 6 HB2 ARG 6 9.289 -5.027 -6.820
35 HB3 ARG 6 HB1 ARG 6 8.036 -4.912 -5.593
36 HG2 ARG 6 HG2 ARG 6 7.459 -2.665 -6.441
37 HG3 ARG 6 HG1 ARG 6 8.663 -2.867 -7.714
38 HD2 ARG 6 HD2 ARG 6 6.254 -4.631 -7.274
39 HD3 ARG 6 HD1 ARG 6 6.391 -3.369 -8.497
40 HE ARG 6 HE ARG 6 8.527 -5.194 -8.774
41 HH11 ARG 6 HH11 ARG 6 5.064 -4.983 -9.268
42 HH12 ARG 6 HH12 ARG 6 5.053 -6.134 -10.564
43 HH21 ARG 6 HH21 ARG 6 8.508 -6.715 -10.482
44 HH22 ARG 6 HH22 ARG 6 7.008 -7.120 -11.251
45 H ASN 7 HN ASN 7 11.831 -3.355 -3.914
46 HA ASN 7 HA ASN 7 12.279 -6.091 -3.165
47 HB2 ASN 7 HB2 ASN 7 14.158 -4.542 -3.565
48 HB3 ASN 7 HB1 ASN 7 13.623 -3.544 -2.220
49 HD21 ASN 7 HD21 ASN 7 13.632 -7.061 -2.256
50 HD22 ASN 7 HD22 ASN 7 14.843 -7.245 -1.037
51 H LEU 8 HN LEU 8 10.403 -6.635 -2.063
52 HA LEU 8 HA LEU 8 9.940 -5.246 0.489
53 HB2 LEU 8 HB2 LEU 8 7.852 -6.528 -1.267
54 HB3 LEU 8 HB1 LEU 8 7.571 -5.576 0.179
55 HG LEU 8 HG LEU 8 8.819 -4.473 -2.337
56 HD11 LEU 8 HD11 LEU 8 5.965 -4.304 -1.395
57 HD12 LEU 8 HD12 LEU 8 6.552 -5.170 -2.814
58 HD13 LEU 8 HD13 LEU 8 6.655 -3.411 -2.750
59 HD21 LEU 8 HD21 LEU 8 7.697 -3.128 0.117
60 HD22 LEU 8 HD22 LEU 8 8.296 -2.306 -1.324
61 HD23 LEU 8 HD23 LEU 8 9.401 -3.246 -0.323
62 H ASP 9 HN ASP 9 11.325 -6.833 1.441
63 HA ASP 9 HA ASP 9 10.359 -9.593 1.447
64 HB2 ASP 9 HB2 ASP 9 12.915 -8.302 2.343
65 HB3 ASP 9 HB1 ASP 9 12.478 -9.908 2.915
66 H GLU 10 HN GLU 10 10.659 -6.812 3.500
67 HA GLU 10 HA GLU 10 10.066 -8.144 5.943
68 HB2 GLU 10 HB2 GLU 10 9.875 -5.227 5.179
69 HB3 GLU 10 HB1 GLU 10 9.679 -5.841 6.814
70 HG2 GLU 10 HG2 GLU 10 11.953 -6.659 6.813
71 HG3 GLU 10 HG1 GLU 10 12.160 -6.142 5.142
72 H CYS 11 HN CYS 11 8.170 -6.465 3.518
73 HA CYS 11 HA CYS 11 5.695 -6.668 4.935
74 HB2 CYS 11 HB2 CYS 11 6.212 -4.925 3.239
75 HB3 CYS 11 HB1 CYS 11 6.198 -6.167 2.001
76 H GLU 12 HN GLU 12 5.009 -8.653 5.386
77 HA GLU 12 HA GLU 12 5.685 -10.958 3.905
78 HB2 GLU 12 HB2 GLU 12 5.054 -10.748 6.376
79 HB3 GLU 12 HB1 GLU 12 3.385 -10.743 5.828
80 HG2 GLU 12 HG2 GLU 12 4.033 -12.958 6.531
81 HG3 GLU 12 HG1 GLU 12 3.720 -12.933 4.798
82 H VAL 13 HN VAL 13 2.930 -8.805 3.838
83 HA VAL 13 HA VAL 13 1.247 -10.557 2.365
84 HB VAL 13 HB VAL 13 0.228 -8.832 3.687
85 HG11 VAL 13 HG11 VAL 13 0.425 -6.484 3.188
86 HG12 VAL 13 HG12 VAL 13 1.532 -6.833 1.864
87 HG13 VAL 13 HG13 VAL 13 2.011 -7.169 3.528
88 HG21 VAL 13 HG21 VAL 13 -1.294 -7.832 2.049
89 HG22 VAL 13 HG22 VAL 13 -1.003 -9.541 1.715
90 HG23 VAL 13 HG23 VAL 13 -0.195 -8.303 0.753
91 H CYS 14 HN CYS 14 3.418 -7.894 1.397
92 HA CYS 14 HA CYS 14 2.814 -8.094 -1.368
93 HB2 CYS 14 HB2 CYS 14 5.076 -6.909 0.187
94 HB3 CYS 14 HB1 CYS 14 5.224 -7.082 -1.558
95 H ARG 15 HN ARG 15 5.050 -9.710 0.745
96 HA ARG 15 HA ARG 15 6.511 -11.163 -1.167
97 HB2 ARG 15 HB2 ARG 15 7.125 -10.955 1.216
98 HB3 ARG 15 HB1 ARG 15 5.748 -11.959 1.645
99 HG2 ARG 15 HG2 ARG 15 6.746 -13.806 0.343
100 HG3 ARG 15 HG1 ARG 15 8.165 -12.792 0.057
101 HD2 ARG 15 HD2 ARG 15 8.417 -12.573 2.521
102 HD3 ARG 15 HD1 ARG 15 7.105 -13.732 2.714
103 HE ARG 15 HE ARG 15 9.391 -14.599 1.128
104 HH11 ARG 15 HH11 ARG 15 7.678 -14.653 4.182
105 HH12 ARG 15 HH12 ARG 15 8.588 -15.992 4.813
106 HH21 ARG 15 HH21 ARG 15 10.604 -16.351 1.961
107 HH22 ARG 15 HH22 ARG 15 10.261 -16.953 3.549
108 H ASP 16 HN ASP 16 3.451 -11.761 0.438
109 HA ASP 16 HA ASP 16 2.959 -14.322 -0.677
110 HB2 ASP 16 HB2 ASP 16 1.798 -13.618 1.319
111 HB3 ASP 16 HB1 ASP 16 1.110 -12.231 0.490
112 H GLY 17 HN GLY 17 2.946 -11.242 -2.048
113 HA2 GLY 17 HA2 GLY 17 2.617 -10.883 -4.374
114 HA3 GLY 17 HA1 GLY 17 1.508 -12.249 -4.399
115 H GLY 18 HN GLY 18 1.067 -10.178 -1.751
116 HA2 GLY 18 HA2 GLY 18 -1.539 -9.427 -2.467
117 HA3 GLY 18 HA1 GLY 18 -0.583 -8.702 -1.184
118 H GLU 19 HN GLU 19 -2.394 -7.330 -2.867
119 HA GLU 19 HA GLU 19 -0.723 -5.891 -4.774
120 HB2 GLU 19 HB2 GLU 19 -3.705 -6.012 -4.338
121 HB3 GLU 19 HB1 GLU 19 -2.945 -4.906 -5.479
122 HG2 GLU 19 HG2 GLU 19 -2.059 -6.732 -6.752
123 HG3 GLU 19 HG1 GLU 19 -2.602 -7.893 -5.546
124 H LEU 20 HN LEU 20 -1.102 -3.518 -4.934
125 HA LEU 20 HA LEU 20 -0.764 -2.403 -2.240
126 HB2 LEU 20 HB2 LEU 20 1.036 -2.331 -4.097
127 HB3 LEU 20 HB1 LEU 20 0.031 -1.095 -4.827
128 HG LEU 20 HG LEU 20 0.252 0.243 -2.727
129 HD11 LEU 20 HD11 LEU 20 2.067 -0.371 -1.185
130 HD12 LEU 20 HD12 LEU 20 2.268 -1.896 -2.044
131 HD13 LEU 20 HD13 LEU 20 0.765 -1.558 -1.185
132 HD21 LEU 20 HD21 LEU 20 2.789 -0.513 -4.179
133 HD22 LEU 20 HD22 LEU 20 2.590 0.916 -3.167
134 HD23 LEU 20 HD23 LEU 20 1.645 0.745 -4.646
135 H PHE 21 HN PHE 21 -2.033 -0.724 -1.535
136 HA PHE 21 HA PHE 21 -4.108 0.222 -3.409
137 HB2 PHE 21 HB2 PHE 21 -4.355 -0.171 -0.408
138 HB3 PHE 21 HB1 PHE 21 -5.624 0.442 -1.468
139 HD1 PHE 21 HD2 PHE 21 -6.497 -1.082 -3.303
140 HD2 PHE 21 HD1 PHE 21 -4.058 -2.479 -0.101
141 HE1 PHE 21 HE2 PHE 21 -7.271 -3.380 -3.717
142 HE2 PHE 21 HE1 PHE 21 -4.833 -4.777 -0.512
143 HZ PHE 21 HZ PHE 21 -6.380 -5.238 -2.376
144 H CYS 22 HN CYS 22 -1.642 1.458 -3.227
145 HA CYS 22 HA CYS 22 -2.440 4.122 -2.489
146 HB2 CYS 22 HB2 CYS 22 -0.446 4.476 -1.013
147 HB3 CYS 22 HB1 CYS 22 -1.639 3.373 -0.333
148 H CYS 23 HN CYS 23 -0.947 5.728 -3.333
149 HA CYS 23 HA CYS 23 0.200 5.037 -5.817
150 HB2 CYS 23 HB2 CYS 23 0.945 7.528 -4.306
151 HB3 CYS 23 HB1 CYS 23 0.712 7.319 -6.043
152 H ASP 24 HN ASP 24 2.528 5.379 -6.422
153 HA ASP 24 HA ASP 24 4.215 3.743 -4.936
154 HB2 ASP 24 HB2 ASP 24 4.932 5.915 -6.918
155 HB3 ASP 24 HB1 ASP 24 6.097 4.777 -6.254
156 H THR 25 HN THR 25 4.136 7.292 -5.035
157 HA THR 25 HA THR 25 6.194 7.766 -3.207
158 HB THR 25 HB THR 25 3.737 9.472 -3.635
159 HG1 THR 25 HG1 THR 25 5.894 10.246 -5.053
160 HG21 THR 25 HG21 THR 25 6.555 10.203 -2.835
161 HG22 THR 25 HG22 THR 25 5.165 10.153 -1.752
162 HG23 THR 25 HG23 THR 25 5.217 11.327 -3.066
163 H CYS 26 HN CYS 26 2.700 7.494 -2.718
164 HA CYS 26 HA CYS 26 2.654 7.961 0.040
165 HB2 CYS 26 HB2 CYS 26 0.757 6.323 -1.660
166 HB3 CYS 26 HB1 CYS 26 0.404 6.953 -0.050
167 H SER 27 HN SER 27 3.113 4.995 -1.810
168 HA SER 27 HA SER 27 3.050 3.263 0.457
169 HB2 SER 27 HB2 SER 27 2.629 2.633 -1.974
170 HB3 SER 27 HB1 SER 27 4.380 2.680 -2.187
171 HG SER 27 HG SER 27 2.851 0.987 -0.515
172 H ARG 28 HN ARG 28 5.579 4.981 -1.287
173 HA ARG 28 HA ARG 28 7.778 3.584 -0.230
174 HB2 ARG 28 HB2 ARG 28 7.481 6.338 -1.388
175 HB3 ARG 28 HB1 ARG 28 9.031 5.735 -0.818
176 HG2 ARG 28 HG2 ARG 28 9.013 3.971 -2.433
177 HG3 ARG 28 HG1 ARG 28 7.358 4.359 -2.908
178 HD2 ARG 28 HD2 ARG 28 8.093 6.532 -3.720
179 HD3 ARG 28 HD1 ARG 28 9.744 6.174 -3.223
180 HE ARG 28 HE ARG 28 8.876 4.153 -4.961
181 HH11 ARG 28 HH11 ARG 28 9.624 7.570 -5.024
182 HH12 ARG 28 HH12 ARG 28 10.178 7.548 -6.669
183 HH21 ARG 28 HH21 ARG 28 9.576 4.129 -7.132
184 HH22 ARG 28 HH22 ARG 28 10.148 5.593 -7.868
185 H VAL 29 HN VAL 29 5.813 6.139 1.057
186 HA VAL 29 HA VAL 29 7.662 6.491 3.278
187 HB VAL 29 HB VAL 29 6.091 8.306 4.007
188 HG11 VAL 29 HG11 VAL 29 8.117 8.780 2.743
189 HG12 VAL 29 HG12 VAL 29 6.818 9.872 2.265
190 HG13 VAL 29 HG13 VAL 29 7.250 8.509 1.231
191 HG21 VAL 29 HG21 VAL 29 4.075 7.488 2.869
192 HG22 VAL 29 HG22 VAL 29 4.834 7.810 1.310
193 HG23 VAL 29 HG23 VAL 29 4.464 9.144 2.401
194 H PHE 30 HN PHE 30 4.326 5.394 2.685
195 HA PHE 30 HA PHE 30 4.363 4.247 5.405
196 HB2 PHE 30 HB2 PHE 30 1.839 5.206 4.051
197 HB3 PHE 30 HB1 PHE 30 2.061 4.757 5.737
198 HD1 PHE 30 HD2 PHE 30 4.265 6.247 6.692
199 HD2 PHE 30 HD1 PHE 30 1.312 7.445 3.863
200 HE1 PHE 30 HE2 PHE 30 4.663 8.603 7.275
201 HE2 PHE 30 HE1 PHE 30 1.714 9.802 4.440
202 HZ PHE 30 HZ PHE 30 3.327 10.393 6.136
203 H HIS 31 HN HIS 31 5.292 2.508 3.876
204 HA HIS 31 HA HIS 31 3.563 1.180 2.078
205 HB2 HIS 31 HB2 HIS 31 6.051 1.060 2.000
206 HB3 HIS 31 HB1 HIS 31 6.013 0.066 3.451
207 HD1 HIS 31 HD1 HIS 31 4.622 -0.087 -0.120
208 HD2 HIS 31 HD2 HIS 31 5.959 -2.556 2.949
209 HE1 HIS 31 HE1 HIS 31 4.608 -2.450 -1.041
210 H GLU 32 HN GLU 32 4.521 0.460 5.414
211 HA GLU 32 HA GLU 32 3.244 -2.038 5.586
212 HB2 GLU 32 HB2 GLU 32 3.654 -0.122 7.882
213 HB3 GLU 32 HB1 GLU 32 3.522 -1.871 7.968
214 HG2 GLU 32 HG2 GLU 32 5.777 -1.604 8.189
215 HG3 GLU 32 HG1 GLU 32 5.650 -1.797 6.442
216 H ASP 33 HN ASP 33 2.200 1.170 6.551
217 HA ASP 33 HA ASP 33 -0.368 0.474 7.466
218 HB2 ASP 33 HB2 ASP 33 0.786 3.075 6.488
219 HB3 ASP 33 HB1 ASP 33 -0.880 2.943 7.042
220 H CYS 34 HN CYS 34 0.886 0.904 4.285
221 HA CYS 34 HA CYS 34 -1.523 1.540 2.938
222 HB2 CYS 34 HB2 CYS 34 0.670 1.885 1.907
223 HB3 CYS 34 HB1 CYS 34 0.969 0.153 1.916
224 H HIS 35 HN HIS 35 -0.325 -1.356 4.313
225 HA HIS 35 HA HIS 35 -2.318 -2.949 2.849
226 HB2 HIS 35 HB2 HIS 35 -0.015 -3.957 4.530
227 HB3 HIS 35 HB1 HIS 35 -1.066 -4.914 3.491
228 HD1 HIS 35 HD1 HIS 35 -0.540 -4.873 0.923
229 HD2 HIS 35 HD2 HIS 35 1.931 -2.463 3.240
230 HE1 HIS 35 HE1 HIS 35 1.398 -4.197 -0.560
231 H ILE 36 HN ILE 36 -2.741 -1.100 5.156
232 HA ILE 36 HA ILE 36 -4.041 -3.060 6.927
233 HB ILE 36 HB ILE 36 -2.780 -0.444 7.779
234 HG12 ILE 36 HG12 ILE 36 -2.045 -3.316 8.393
235 HG13 ILE 36 HG11 ILE 36 -1.121 -2.192 7.403
236 HG21 ILE 36 HG21 ILE 36 -3.434 -1.092 10.056
237 HG22 ILE 36 HG22 ILE 36 -4.280 -2.496 9.405
238 HG23 ILE 36 HG23 ILE 36 -4.836 -0.870 9.009
239 HD11 ILE 36 HD11 ILE 36 -0.735 -0.791 9.372
240 HD12 ILE 36 HD12 ILE 36 -0.128 -2.430 9.596
241 HD13 ILE 36 HD13 ILE 36 -1.641 -1.939 10.355
242 HA PRO 37 HA PRO 37 -5.693 -3.547 7.885
243 HB2 PRO 37 HB2 PRO 37 -8.329 -4.073 6.730
244 HB3 PRO 37 HB1 PRO 37 -7.857 -3.983 8.432
245 HG2 PRO 37 HG2 PRO 37 -9.421 -2.115 7.258
246 HG3 PRO 37 HG1 PRO 37 -8.290 -1.725 8.568
247 HD2 PRO 37 HD2 PRO 37 -7.967 -1.340 5.607
248 HD3 PRO 37 HD1 PRO 37 -7.550 -0.235 6.938
249 HA PRO 38 HA PRO 38 -4.601 -5.856 4.231
250 HB2 PRO 38 HB2 PRO 38 -4.234 -8.284 5.348
251 HB3 PRO 38 HB1 PRO 38 -3.101 -6.951 5.607
252 HG2 PRO 38 HG2 PRO 38 -5.294 -7.949 7.387
253 HG3 PRO 38 HG1 PRO 38 -3.643 -7.460 7.816
254 HD2 PRO 38 HD2 PRO 38 -5.814 -5.836 8.140
255 HD3 PRO 38 HD1 PRO 38 -4.178 -5.219 7.832
256 H VAL 39 HN VAL 39 -7.037 -5.396 3.775
257 HA VAL 39 HA VAL 39 -8.970 -7.391 4.249
258 HB VAL 39 HB VAL 39 -8.900 -5.408 1.963
259 HG11 VAL 39 HG11 VAL 39 -11.347 -5.646 1.990
260 HG12 VAL 39 HG12 VAL 39 -11.196 -6.911 3.209
261 HG13 VAL 39 HG13 VAL 39 -10.530 -7.158 1.596
262 HG21 VAL 39 HG21 VAL 39 -10.081 -5.130 4.725
263 HG22 VAL 39 HG22 VAL 39 -10.284 -3.980 3.406
264 HG23 VAL 39 HG23 VAL 39 -8.686 -4.257 4.094
265 H GLU 40 HN GLU 40 -6.653 -6.880 1.677
266 HA GLU 40 HA GLU 40 -5.779 -8.224 0.081
267 HB2 GLU 40 HB2 GLU 40 -7.404 -10.400 1.408
268 HB3 GLU 40 HB1 GLU 40 -6.228 -10.670 0.130
269 HG2 GLU 40 HG2 GLU 40 -4.451 -9.826 1.561
270 HG3 GLU 40 HG1 GLU 40 -5.621 -9.498 2.837
271 H ALA 41 HN ALA 41 -9.214 -8.979 0.569
272 HA ALA 41 HA ALA 41 -9.703 -8.966 -2.291
273 HB1 ALA 41 HB1 ALA 41 -12.015 -9.411 -1.694
274 HB2 ALA 41 HB2 ALA 41 -11.665 -9.092 0.003
275 HB3 ALA 41 HB3 ALA 41 -10.949 -10.491 -0.797
276 H GLU 42 HN GLU 42 -12.167 -7.604 -2.353
277 HA GLU 42 HA GLU 42 -12.990 -5.535 -2.785
278 HB2 GLU 42 HB2 GLU 42 -11.464 -4.922 -0.255
279 HB3 GLU 42 HB1 GLU 42 -12.516 -3.760 -1.052
280 HG2 GLU 42 HG2 GLU 42 -13.329 -6.421 0.093
281 HG3 GLU 42 HG1 GLU 42 -13.680 -4.831 0.769
282 H ARG 43 HN ARG 43 -11.372 -5.876 -4.618
283 HA ARG 43 HA ARG 43 -9.206 -3.894 -4.500
284 HB2 ARG 43 HB2 ARG 43 -9.585 -6.301 -6.283
285 HB3 ARG 43 HB1 ARG 43 -8.287 -5.130 -6.474
286 HG2 ARG 43 HG2 ARG 43 -7.353 -5.701 -4.363
287 HG3 ARG 43 HG1 ARG 43 -8.751 -6.694 -3.948
288 HD2 ARG 43 HD2 ARG 43 -6.866 -7.232 -6.235
289 HD3 ARG 43 HD1 ARG 43 -6.785 -8.015 -4.658
290 HE ARG 43 HE ARG 43 -9.339 -8.470 -5.501
291 HH11 ARG 43 HH11 ARG 43 -6.170 -9.054 -6.866
292 HH12 ARG 43 HH12 ARG 43 -6.664 -10.493 -7.709
293 HH21 ARG 43 HH21 ARG 43 -9.991 -10.357 -6.609
294 HH22 ARG 43 HH22 ARG 43 -8.841 -11.229 -7.568
295 H THR 44 HN THR 44 -12.108 -3.465 -5.063
296 HA THR 44 HA THR 44 -11.696 -1.549 -7.127
297 HB THR 44 HB THR 44 -12.089 -3.549 -8.525
298 HG1 THR 44 HG1 THR 44 -13.222 -2.378 -9.889
299 HG21 THR 44 HG21 THR 44 -13.535 -4.844 -7.070
300 HG22 THR 44 HG22 THR 44 -14.344 -4.551 -8.610
301 HG23 THR 44 HG23 THR 44 -14.793 -3.615 -7.186
302 HA PRO 45 HA PRO 45 -12.511 0.152 -7.904
303 HB2 PRO 45 HB2 PRO 45 -12.778 2.618 -6.356
304 HB3 PRO 45 HB1 PRO 45 -13.322 2.275 -8.003
305 HG2 PRO 45 HG2 PRO 45 -15.053 2.617 -5.943
306 HG3 PRO 45 HG1 PRO 45 -15.390 1.520 -7.303
307 HD2 PRO 45 HD2 PRO 45 -14.372 0.870 -4.549
308 HD3 PRO 45 HD1 PRO 45 -15.611 0.037 -5.516
309 H TRP 46 HN TRP 46 -10.372 1.034 -7.895
310 HA TRP 46 HA TRP 46 -8.864 0.371 -5.508
311 HB2 TRP 46 HB2 TRP 46 -7.988 -0.248 -7.749
312 HB3 TRP 46 HB1 TRP 46 -7.919 1.458 -8.180
313 HD1 TRP 46 HD1 TRP 46 -6.163 -1.141 -5.985
314 HE1 TRP 46 HE1 TRP 46 -3.845 -0.236 -5.325
315 HE3 TRP 46 HE3 TRP 46 -6.601 3.610 -7.834
316 HZ2 TRP 46 HZ2 TRP 46 -2.398 2.186 -5.561
317 HZ3 TRP 46 HZ3 TRP 46 -4.706 5.155 -7.576
318 HH2 TRP 46 HH2 TRP 46 -2.652 4.457 -6.463
319 H ASN 47 HN ASN 47 -8.154 1.832 -4.034
320 HA ASN 47 HA ASN 47 -8.258 4.673 -4.697
321 HB2 ASN 47 HB2 ASN 47 -10.515 3.976 -3.882
322 HB3 ASN 47 HB1 ASN 47 -9.776 3.472 -2.369
323 HD21 ASN 47 HD21 ASN 47 -11.013 4.891 -1.183
324 HD22 ASN 47 HD22 ASN 47 -10.741 6.603 -1.202
325 H CYS 48 HN CYS 48 -6.625 5.764 -3.757
326 HA CYS 48 HA CYS 48 -4.845 4.408 -1.936
327 HB2 CYS 48 HB2 CYS 48 -3.893 5.866 -3.646
328 HB3 CYS 48 HB1 CYS 48 -4.814 7.232 -3.035
329 H ILE 49 HN ILE 49 -5.514 4.175 0.070
330 HA ILE 49 HA ILE 49 -7.442 5.695 1.368
331 HB ILE 49 HB ILE 49 -6.551 4.683 3.499
332 HG12 ILE 49 HG12 ILE 49 -4.622 3.327 1.592
333 HG13 ILE 49 HG11 ILE 49 -4.186 4.497 2.833
334 HG21 ILE 49 HG21 ILE 49 -7.225 2.392 2.886
335 HG22 ILE 49 HG22 ILE 49 -7.137 2.836 1.182
336 HG23 ILE 49 HG23 ILE 49 -8.318 3.613 2.236
337 HD11 ILE 49 HD11 ILE 49 -5.383 1.779 3.309
338 HD12 ILE 49 HD12 ILE 49 -4.944 2.948 4.555
339 HD13 ILE 49 HD13 ILE 49 -3.695 2.231 3.537
340 H PHE 50 HN PHE 50 -3.961 6.186 1.236
341 HA PHE 50 HA PHE 50 -3.897 8.053 3.395
342 HB2 PHE 50 HB2 PHE 50 -1.878 7.728 1.165
343 HB3 PHE 50 HB1 PHE 50 -1.610 8.522 2.715
344 HD1 PHE 50 HD1 PHE 50 -2.147 6.988 4.815
345 HD2 PHE 50 HD2 PHE 50 -1.156 5.570 0.927
346 HE1 PHE 50 HE1 PHE 50 -1.431 4.852 5.783
347 HE2 PHE 50 HE2 PHE 50 -0.441 3.433 1.889
348 HZ PHE 50 HZ PHE 50 -0.576 3.066 4.317
349 H CYS 51 HN CYS 51 -3.952 8.400 -0.139
350 HA CYS 51 HA CYS 51 -3.718 11.187 -0.212
351 HB2 CYS 51 HB2 CYS 51 -4.768 9.134 -2.111
352 HB3 CYS 51 HB1 CYS 51 -5.151 10.821 -2.427
353 H ARG 52 HN ARG 52 -6.498 9.120 0.332
354 HA ARG 52 HA ARG 52 -8.367 11.286 0.004
355 HB2 ARG 52 HB2 ARG 52 -8.867 8.511 1.075
356 HB3 ARG 52 HB1 ARG 52 -10.078 9.654 0.508
357 HG2 ARG 52 HG2 ARG 52 -7.947 8.335 -1.160
358 HG3 ARG 52 HG1 ARG 52 -9.664 7.947 -1.158
359 HD2 ARG 52 HD2 ARG 52 -10.167 10.204 -1.987
360 HD3 ARG 52 HD1 ARG 52 -8.442 10.577 -1.995
361 HE ARG 52 HE ARG 52 -9.151 8.243 -3.534
362 HH11 ARG 52 HH11 ARG 52 -8.778 11.732 -3.613
363 HH12 ARG 52 HH12 ARG 52 -8.535 11.787 -5.328
364 HH21 ARG 52 HH21 ARG 52 -8.842 8.331 -5.794
365 HH22 ARG 52 HH22 ARG 52 -8.586 9.863 -6.565
366 H MET 53 HN MET 53 -6.392 10.245 2.527
367 HA MET 53 HA MET 53 -8.093 10.840 4.730
368 HB2 MET 53 HB2 MET 53 -5.077 10.816 4.522
369 HB3 MET 53 HB1 MET 53 -5.945 11.081 6.025
370 HG2 MET 53 HG2 MET 53 -6.961 8.871 5.828
371 HG3 MET 53 HG1 MET 53 -6.090 8.605 4.320
372 HE1 MET 53 HE1 MET 53 -4.135 8.924 8.489
373 HE2 MET 53 HE2 MET 53 -5.873 8.943 8.193
374 HE3 MET 53 HE3 MET 53 -4.878 10.311 7.695
375 H LYS 54 HN LYS 54 -6.258 12.751 2.532
376 HA LYS 54 HA LYS 54 -6.069 15.124 4.080
377 HB2 LYS 54 HB2 LYS 54 -6.145 14.850 1.073
378 HB3 LYS 54 HB1 LYS 54 -5.573 16.245 1.970
379 HG2 LYS 54 HG2 LYS 54 -3.770 14.873 2.923
380 HG3 LYS 54 HG1 LYS 54 -4.320 13.508 1.953
381 HD2 LYS 54 HD2 LYS 54 -3.560 16.142 0.718
382 HD3 LYS 54 HD1 LYS 54 -2.362 14.897 1.056
383 HE2 LYS 54 HE2 LYS 54 -3.004 14.666 -1.225
384 HE3 LYS 54 HE1 LYS 54 -3.724 13.325 -0.342
385 HZ1 LYS 54 HZ1 LYS 54 -5.194 15.812 -1.021
386 HZ2 LYS 54 HZ2 LYS 54 -5.843 14.365 -0.432
387 HZ3 LYS 54 HZ3 LYS 54 -5.202 14.429 -1.991
388 H GLU 55 HN GLU 55 -8.648 13.621 2.405
389 HA GLU 55 HA GLU 55 -10.075 16.026 1.762
390 HB2 GLU 55 HB2 GLU 55 -11.215 13.236 1.823
391 HB3 GLU 55 HB1 GLU 55 -11.779 14.610 0.887
392 HG2 GLU 55 HG2 GLU 55 -9.265 13.021 0.465
393 HG3 GLU 55 HG1 GLU 55 -10.677 13.095 -0.585
394 H SER 56 HN SER 56 -11.237 17.161 3.139
395 HA SER 56 HA SER 56 -12.665 15.763 5.281
396 HB2 SER 56 HB2 SER 56 -11.142 18.363 5.614
397 HB3 SER 56 HB1 SER 56 -12.135 17.587 6.848
398 HG SER 56 HG SER 56 -10.544 15.709 6.134
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 14.281 1.385 -15.070
2 H2 GLY 1 HT2 GLY 1 12.617 1.228 -14.828
3 H3 GLY 1 HT3 GLY 1 13.294 0.837 -16.327
4 HA2 GLY 1 HA1 GLY 1 12.770 -1.164 -15.112
5 HA3 GLY 1 HA2 GLY 1 14.503 -1.000 -15.351
6 H ALA 2 HN ALA 2 15.180 0.811 -13.390
7 HA ALA 2 HA ALA 2 15.327 -0.935 -11.151
8 HB1 ALA 2 HB1 ALA 2 16.643 0.827 -10.109
9 HB2 ALA 2 HB2 ALA 2 16.148 1.959 -11.369
10 HB3 ALA 2 HB3 ALA 2 17.153 0.569 -11.778
11 H MET 3 HN MET 3 13.230 1.719 -11.976
12 HA MET 3 HA MET 3 12.316 2.156 -9.283
13 HB2 MET 3 HB2 MET 3 11.274 3.087 -11.956
14 HB3 MET 3 HB1 MET 3 10.510 3.506 -10.430
15 HG2 MET 3 HG2 MET 3 12.580 4.574 -9.690
16 HG3 MET 3 HG1 MET 3 13.334 4.168 -11.228
17 HE1 MET 3 HE1 MET 3 13.283 7.063 -10.004
18 HE2 MET 3 HE2 MET 3 12.848 8.059 -11.391
19 HE3 MET 3 HE3 MET 3 14.004 6.740 -11.580
20 H GLY 4 HN GLY 4 11.694 -0.153 -11.664
21 HA2 GLY 4 HA2 GLY 4 9.067 -0.844 -10.586
22 HA3 GLY 4 HA1 GLY 4 9.868 -1.622 -11.948
23 H MET 5 HN MET 5 12.090 -1.227 -9.550
24 HA MET 5 HA MET 5 11.640 -3.953 -8.542
25 HB2 MET 5 HB2 MET 5 13.714 -3.742 -9.806
26 HB3 MET 5 HB1 MET 5 14.215 -2.386 -8.806
27 HG2 MET 5 HG2 MET 5 15.358 -4.441 -8.174
28 HG3 MET 5 HG1 MET 5 14.347 -3.834 -6.864
29 HE1 MET 5 HE1 MET 5 14.013 -7.641 -6.260
30 HE2 MET 5 HE2 MET 5 14.308 -6.064 -5.531
31 HE3 MET 5 HE3 MET 5 15.451 -6.723 -6.700
32 H ARG 6 HN ARG 6 10.575 -3.736 -6.675
33 HA ARG 6 HA ARG 6 11.467 -1.685 -4.786
34 HB2 ARG 6 HB2 ARG 6 8.912 -3.275 -4.973
35 HB3 ARG 6 HB1 ARG 6 9.317 -2.282 -3.580
36 HG2 ARG 6 HG2 ARG 6 9.379 -0.301 -4.975
37 HG3 ARG 6 HG1 ARG 6 9.052 -1.277 -6.407
38 HD2 ARG 6 HD2 ARG 6 6.877 -1.855 -5.593
39 HD3 ARG 6 HD1 ARG 6 7.206 -1.105 -4.033
40 HE ARG 6 HE ARG 6 7.517 0.953 -5.725
41 HH11 ARG 6 HH11 ARG 6 4.972 -1.428 -5.428
42 HH12 ARG 6 HH12 ARG 6 3.719 -0.341 -5.935
43 HH21 ARG 6 HH21 ARG 6 5.883 2.398 -6.395
44 HH22 ARG 6 HH22 ARG 6 4.234 1.840 -6.475
45 H ASN 7 HN ASN 7 12.943 -2.350 -3.402
46 HA ASN 7 HA ASN 7 13.255 -5.114 -2.669
47 HB2 ASN 7 HB2 ASN 7 15.222 -3.668 -2.876
48 HB3 ASN 7 HB1 ASN 7 14.603 -2.615 -1.611
49 HD21 ASN 7 HD21 ASN 7 14.426 -6.129 -1.502
50 HD22 ASN 7 HD22 ASN 7 15.545 -6.319 -0.200
51 H LEU 8 HN LEU 8 11.549 -5.852 -1.554
52 HA LEU 8 HA LEU 8 10.828 -4.493 0.948
53 HB2 LEU 8 HB2 LEU 8 8.901 -5.739 -1.007
54 HB3 LEU 8 HB1 LEU 8 8.480 -4.968 0.510
55 HG LEU 8 HG LEU 8 9.797 -3.509 -1.774
56 HD11 LEU 8 HD11 LEU 8 6.878 -3.704 -1.066
57 HD12 LEU 8 HD12 LEU 8 7.653 -4.320 -2.527
58 HD13 LEU 8 HD13 LEU 8 7.573 -2.583 -2.237
59 HD21 LEU 8 HD21 LEU 8 8.361 -2.541 0.695
60 HD22 LEU 8 HD22 LEU 8 9.012 -1.519 -0.587
61 HD23 LEU 8 HD23 LEU 8 10.101 -2.482 0.413
62 H ASP 9 HN ASP 9 11.922 -5.977 2.211
63 HA ASP 9 HA ASP 9 11.256 -8.812 1.864
64 HB2 ASP 9 HB2 ASP 9 13.228 -9.361 3.019
65 HB3 ASP 9 HB1 ASP 9 13.686 -7.966 2.048
66 H GLU 10 HN GLU 10 10.816 -6.125 3.993
67 HA GLU 10 HA GLU 10 10.173 -7.697 6.305
68 HB2 GLU 10 HB2 GLU 10 11.165 -5.498 6.580
69 HB3 GLU 10 HB1 GLU 10 9.825 -4.754 5.731
70 HG2 GLU 10 HG2 GLU 10 8.311 -5.406 7.516
71 HG3 GLU 10 HG1 GLU 10 9.641 -6.194 8.364
72 H CYS 11 HN CYS 11 8.379 -5.906 3.860
73 HA CYS 11 HA CYS 11 5.824 -6.362 4.959
74 HB2 CYS 11 HB2 CYS 11 6.374 -4.602 3.296
75 HB3 CYS 11 HB1 CYS 11 6.575 -5.858 2.085
76 H GLU 12 HN GLU 12 5.458 -8.440 5.464
77 HA GLU 12 HA GLU 12 6.075 -10.717 3.989
78 HB2 GLU 12 HB2 GLU 12 5.444 -10.716 6.361
79 HB3 GLU 12 HB1 GLU 12 3.807 -10.250 5.925
80 HG2 GLU 12 HG2 GLU 12 3.690 -12.391 4.598
81 HG3 GLU 12 HG1 GLU 12 5.194 -12.852 5.396
82 H VAL 13 HN VAL 13 3.160 -8.745 4.023
83 HA VAL 13 HA VAL 13 1.551 -10.472 2.524
84 HB VAL 13 HB VAL 13 0.522 -8.784 3.857
85 HG11 VAL 13 HG11 VAL 13 0.709 -6.412 3.381
86 HG12 VAL 13 HG12 VAL 13 1.852 -6.754 2.084
87 HG13 VAL 13 HG13 VAL 13 2.279 -7.114 3.757
88 HG21 VAL 13 HG21 VAL 13 -1.050 -7.785 2.309
89 HG22 VAL 13 HG22 VAL 13 -0.689 -9.442 1.821
90 HG23 VAL 13 HG23 VAL 13 0.051 -8.088 0.966
91 H CYS 14 HN CYS 14 3.825 -7.991 1.473
92 HA CYS 14 HA CYS 14 3.010 -7.983 -1.237
93 HB2 CYS 14 HB2 CYS 14 5.351 -6.993 0.262
94 HB3 CYS 14 HB1 CYS 14 5.618 -7.326 -1.446
95 H ARG 15 HN ARG 15 5.011 -10.129 0.621
96 HA ARG 15 HA ARG 15 6.272 -11.498 -1.510
97 HB2 ARG 15 HB2 ARG 15 5.386 -12.600 1.157
98 HB3 ARG 15 HB1 ARG 15 6.518 -13.370 0.060
99 HG2 ARG 15 HG2 ARG 15 8.081 -11.507 0.389
100 HG3 ARG 15 HG1 ARG 15 6.943 -10.776 1.528
101 HD2 ARG 15 HD2 ARG 15 7.049 -12.854 2.881
102 HD3 ARG 15 HD1 ARG 15 8.280 -13.464 1.781
103 HE ARG 15 HE ARG 15 8.940 -10.921 2.974
104 HH11 ARG 15 HH11 ARG 15 9.058 -14.405 3.314
105 HH12 ARG 15 HH12 ARG 15 10.397 -14.381 4.415
106 HH21 ARG 15 HH21 ARG 15 10.693 -10.884 4.457
107 HH22 ARG 15 HH22 ARG 15 11.320 -12.384 5.070
108 H ASP 16 HN ASP 16 3.169 -11.820 0.074
109 HA ASP 16 HA ASP 16 2.383 -14.128 -1.456
110 HB2 ASP 16 HB2 ASP 16 0.849 -12.315 0.413
111 HB3 ASP 16 HB1 ASP 16 0.169 -13.753 -0.340
112 H GLY 17 HN GLY 17 2.794 -11.059 -2.347
113 HA2 GLY 17 HA2 GLY 17 2.151 -9.932 -4.250
114 HA3 GLY 17 HA1 GLY 17 1.149 -11.317 -4.668
115 H GLY 18 HN GLY 18 0.801 -9.743 -1.595
116 HA2 GLY 18 HA2 GLY 18 -1.941 -9.263 -1.903
117 HA3 GLY 18 HA1 GLY 18 -0.917 -8.546 -0.673
118 H GLU 19 HN GLU 19 -3.142 -7.450 -2.289
119 HA GLU 19 HA GLU 19 -2.205 -5.665 -4.236
120 HB2 GLU 19 HB2 GLU 19 -4.679 -5.860 -2.580
121 HB3 GLU 19 HB1 GLU 19 -4.378 -4.378 -3.475
122 HG2 GLU 19 HG2 GLU 19 -5.818 -5.920 -4.697
123 HG3 GLU 19 HG1 GLU 19 -4.314 -5.606 -5.556
124 H LEU 20 HN LEU 20 -1.617 -3.556 -4.186
125 HA LEU 20 HA LEU 20 -0.994 -2.413 -1.542
126 HB2 LEU 20 HB2 LEU 20 0.839 -3.077 -3.276
127 HB3 LEU 20 HB1 LEU 20 0.325 -1.640 -4.131
128 HG LEU 20 HG LEU 20 1.299 -1.586 -1.275
129 HD11 LEU 20 HD11 LEU 20 3.445 -0.832 -2.192
130 HD12 LEU 20 HD12 LEU 20 2.849 -1.128 -3.825
131 HD13 LEU 20 HD13 LEU 20 3.058 -2.475 -2.708
132 HD21 LEU 20 HD21 LEU 20 1.062 0.586 -3.363
133 HD22 LEU 20 HD22 LEU 20 1.646 0.782 -1.711
134 HD23 LEU 20 HD23 LEU 20 -0.039 0.350 -2.004
135 H PHE 21 HN PHE 21 -2.181 -0.626 -1.049
136 HA PHE 21 HA PHE 21 -3.779 0.528 -3.241
137 HB2 PHE 21 HB2 PHE 21 -4.377 0.647 -0.276
138 HB3 PHE 21 HB1 PHE 21 -5.462 1.069 -1.598
139 HD1 PHE 21 HD2 PHE 21 -6.030 -0.865 -3.261
140 HD2 PHE 21 HD1 PHE 21 -4.495 -1.450 0.673
141 HE1 PHE 21 HE2 PHE 21 -6.894 -3.166 -3.264
142 HE2 PHE 21 HE1 PHE 21 -5.354 -3.752 0.669
143 HZ PHE 21 HZ PHE 21 -6.556 -4.612 -1.297
144 H CYS 22 HN CYS 22 -1.402 1.643 -3.292
145 HA CYS 22 HA CYS 22 -1.812 4.309 -2.191
146 HB2 CYS 22 HB2 CYS 22 0.584 2.590 -1.528
147 HB3 CYS 22 HB1 CYS 22 0.549 4.333 -1.294
148 H CYS 23 HN CYS 23 -0.751 5.929 -3.327
149 HA CYS 23 HA CYS 23 0.314 5.476 -5.898
150 HB2 CYS 23 HB2 CYS 23 1.098 7.845 -4.198
151 HB3 CYS 23 HB1 CYS 23 0.825 7.787 -5.937
152 H ASP 24 HN ASP 24 2.663 5.873 -6.519
153 HA ASP 24 HA ASP 24 4.338 4.079 -5.214
154 HB2 ASP 24 HB2 ASP 24 4.773 4.824 -7.501
155 HB3 ASP 24 HB1 ASP 24 5.138 6.446 -6.920
156 H THR 25 HN THR 25 4.302 7.610 -4.961
157 HA THR 25 HA THR 25 6.368 7.909 -3.105
158 HB THR 25 HB THR 25 5.076 10.060 -2.514
159 HG1 THR 25 HG1 THR 25 3.226 10.417 -3.548
160 HG21 THR 25 HG21 THR 25 5.822 9.525 -5.394
161 HG22 THR 25 HG22 THR 25 6.939 9.990 -4.112
162 HG23 THR 25 HG23 THR 25 5.686 11.113 -4.639
163 H CYS 26 HN CYS 26 2.873 7.651 -2.599
164 HA CYS 26 HA CYS 26 2.904 7.843 0.206
165 HB2 CYS 26 HB2 CYS 26 0.893 6.411 -1.545
166 HB3 CYS 26 HB1 CYS 26 0.620 6.982 0.098
167 H SER 27 HN SER 27 3.259 5.132 -1.979
168 HA SER 27 HA SER 27 3.016 3.051 -0.075
169 HB2 SER 27 HB2 SER 27 2.765 2.674 -2.489
170 HB3 SER 27 HB1 SER 27 4.452 3.113 -2.744
171 HG SER 27 HG SER 27 4.504 0.953 -2.631
172 H ARG 28 HN ARG 28 5.738 4.959 -1.237
173 HA ARG 28 HA ARG 28 7.736 3.293 -0.088
174 HB2 ARG 28 HB2 ARG 28 7.756 6.099 -1.169
175 HB3 ARG 28 HB1 ARG 28 9.201 5.327 -0.526
176 HG2 ARG 28 HG2 ARG 28 9.236 3.718 -2.228
177 HG3 ARG 28 HG1 ARG 28 7.566 4.047 -2.692
178 HD2 ARG 28 HD2 ARG 28 9.112 4.967 -4.324
179 HD3 ARG 28 HD1 ARG 28 8.227 6.252 -3.505
180 HE ARG 28 HE ARG 28 10.761 5.693 -2.286
181 HH11 ARG 28 HH11 ARG 28 9.178 7.372 -4.903
182 HH12 ARG 28 HH12 ARG 28 10.394 8.602 -5.039
183 HH21 ARG 28 HH21 ARG 28 12.389 7.306 -2.454
184 HH22 ARG 28 HH22 ARG 28 12.226 8.563 -3.639
185 H VAL 29 HN VAL 29 5.847 5.963 1.066
186 HA VAL 29 HA VAL 29 7.574 6.367 3.362
187 HB VAL 29 HB VAL 29 4.972 7.752 2.717
188 HG11 VAL 29 HG11 VAL 29 7.202 8.516 4.595
189 HG12 VAL 29 HG12 VAL 29 5.629 7.882 5.073
190 HG13 VAL 29 HG13 VAL 29 5.743 9.453 4.278
191 HG21 VAL 29 HG21 VAL 29 6.599 8.117 0.942
192 HG22 VAL 29 HG22 VAL 29 7.803 8.606 2.135
193 HG23 VAL 29 HG23 VAL 29 6.362 9.589 1.885
194 H PHE 30 HN PHE 30 4.278 5.195 2.694
195 HA PHE 30 HA PHE 30 4.176 4.252 5.496
196 HB2 PHE 30 HB2 PHE 30 1.768 5.026 3.840
197 HB3 PHE 30 HB1 PHE 30 1.800 4.624 5.552
198 HD1 PHE 30 HD2 PHE 30 3.293 6.211 7.035
199 HD2 PHE 30 HD1 PHE 30 1.720 7.232 3.212
200 HE1 PHE 30 HE2 PHE 30 3.509 8.600 7.585
201 HE2 PHE 30 HE1 PHE 30 1.934 9.619 3.755
202 HZ PHE 30 HZ PHE 30 2.827 10.303 5.944
203 H HIS 31 HN HIS 31 5.301 2.573 3.731
204 HA HIS 31 HA HIS 31 3.604 1.055 2.113
205 HB2 HIS 31 HB2 HIS 31 6.127 1.111 2.043
206 HB3 HIS 31 HB1 HIS 31 6.116 0.036 3.435
207 HD1 HIS 31 HD1 HIS 31 4.603 0.014 -0.094
208 HD2 HIS 31 HD2 HIS 31 6.285 -2.531 2.737
209 HE1 HIS 31 HE1 HIS 31 4.717 -2.282 -1.165
210 H GLU 32 HN GLU 32 4.705 0.421 5.436
211 HA GLU 32 HA GLU 32 3.533 -2.151 5.584
212 HB2 GLU 32 HB2 GLU 32 4.414 -0.218 7.722
213 HB3 GLU 32 HB1 GLU 32 3.823 -1.838 8.073
214 HG2 GLU 32 HG2 GLU 32 6.235 -1.150 6.409
215 HG3 GLU 32 HG1 GLU 32 6.245 -1.786 8.053
216 H ASP 33 HN ASP 33 2.457 1.027 6.584
217 HA ASP 33 HA ASP 33 0.013 0.170 7.753
218 HB2 ASP 33 HB2 ASP 33 0.828 2.891 6.726
219 HB3 ASP 33 HB1 ASP 33 -0.595 2.569 7.710
220 H CYS 34 HN CYS 34 1.024 0.846 4.533
221 HA CYS 34 HA CYS 34 -1.455 1.530 3.381
222 HB2 CYS 34 HB2 CYS 34 0.786 1.871 2.309
223 HB3 CYS 34 HB1 CYS 34 0.861 0.135 2.030
224 H HIS 35 HN HIS 35 0.042 -1.536 4.121
225 HA HIS 35 HA HIS 35 -1.975 -3.003 2.618
226 HB2 HIS 35 HB2 HIS 35 0.352 -4.003 4.265
227 HB3 HIS 35 HB1 HIS 35 -0.709 -5.008 3.285
228 HD1 HIS 35 HD1 HIS 35 -0.200 -5.108 0.742
229 HD2 HIS 35 HD2 HIS 35 2.111 -2.360 2.831
230 HE1 HIS 35 HE1 HIS 35 1.708 -4.469 -0.793
231 H ILE 36 HN ILE 36 -2.707 -1.410 4.966
232 HA ILE 36 HA ILE 36 -4.041 -3.564 6.458
233 HB ILE 36 HB ILE 36 -3.002 -0.991 7.668
234 HG12 ILE 36 HG12 ILE 36 -2.118 -3.856 8.078
235 HG13 ILE 36 HG11 ILE 36 -1.210 -2.611 7.231
236 HG21 ILE 36 HG21 ILE 36 -3.779 -1.919 9.799
237 HG22 ILE 36 HG22 ILE 36 -4.457 -3.304 8.944
238 HG23 ILE 36 HG23 ILE 36 -5.109 -1.690 8.664
239 HD11 ILE 36 HD11 ILE 36 -1.911 -2.620 10.157
240 HD12 ILE 36 HD12 ILE 36 -1.035 -1.341 9.320
241 HD13 ILE 36 HD13 ILE 36 -0.328 -2.950 9.454
242 HA PRO 37 HA PRO 37 -5.984 -4.149 7.215
243 HB2 PRO 37 HB2 PRO 37 -8.132 -4.583 5.242
244 HB3 PRO 37 HB1 PRO 37 -8.165 -4.790 7.000
245 HG2 PRO 37 HG2 PRO 37 -9.459 -2.766 5.807
246 HG3 PRO 37 HG1 PRO 37 -8.663 -2.556 7.379
247 HD2 PRO 37 HD2 PRO 37 -7.709 -1.756 4.652
248 HD3 PRO 37 HD1 PRO 37 -7.651 -0.844 6.176
249 HA PRO 38 HA PRO 38 -3.558 -6.214 4.120
250 HB2 PRO 38 HB2 PRO 38 -4.383 -8.747 5.375
251 HB3 PRO 38 HB1 PRO 38 -2.773 -8.038 5.229
252 HG2 PRO 38 HG2 PRO 38 -4.063 -8.137 7.585
253 HG3 PRO 38 HG1 PRO 38 -3.004 -6.781 7.150
254 HD2 PRO 38 HD2 PRO 38 -5.999 -6.936 7.106
255 HD3 PRO 38 HD1 PRO 38 -4.943 -5.606 7.627
256 H VAL 39 HN VAL 39 -5.472 -5.568 2.657
257 HA VAL 39 HA VAL 39 -6.870 -6.081 0.934
258 HB VAL 39 HB VAL 39 -5.669 -8.849 1.011
259 HG11 VAL 39 HG11 VAL 39 -6.702 -7.182 -1.278
260 HG12 VAL 39 HG12 VAL 39 -7.550 -8.531 -0.525
261 HG13 VAL 39 HG13 VAL 39 -6.042 -8.813 -1.394
262 HG21 VAL 39 HG21 VAL 39 -3.850 -7.245 1.119
263 HG22 VAL 39 HG22 VAL 39 -4.528 -6.358 -0.246
264 HG23 VAL 39 HG23 VAL 39 -3.910 -7.993 -0.477
265 H GLU 40 HN GLU 40 -8.280 -6.026 3.076
266 HA GLU 40 HA GLU 40 -9.552 -8.517 3.743
267 HB2 GLU 40 HB2 GLU 40 -9.196 -6.840 5.472
268 HB3 GLU 40 HB1 GLU 40 -10.139 -5.668 4.567
269 HG2 GLU 40 HG2 GLU 40 -12.120 -7.158 4.843
270 HG3 GLU 40 HG1 GLU 40 -11.138 -8.169 5.903
271 H ALA 41 HN ALA 41 -11.182 -5.466 2.920
272 HA ALA 41 HA ALA 41 -12.813 -6.946 0.966
273 HB1 ALA 41 HB1 ALA 41 -13.869 -4.907 2.924
274 HB2 ALA 41 HB2 ALA 41 -14.063 -6.653 3.069
275 HB3 ALA 41 HB3 ALA 41 -14.806 -5.793 1.721
276 H GLU 42 HN GLU 42 -11.390 -3.902 1.961
277 HA GLU 42 HA GLU 42 -12.303 -2.496 -0.394
278 HB2 GLU 42 HB2 GLU 42 -10.383 -1.759 1.819
279 HB3 GLU 42 HB1 GLU 42 -10.708 -0.708 0.448
280 HG2 GLU 42 HG2 GLU 42 -12.836 -1.720 2.315
281 HG3 GLU 42 HG1 GLU 42 -11.998 -0.182 2.517
282 H ARG 43 HN ARG 43 -11.150 -4.670 -1.384
283 HA ARG 43 HA ARG 43 -8.371 -4.007 -2.041
284 HB2 ARG 43 HB2 ARG 43 -8.137 -6.239 -2.870
285 HB3 ARG 43 HB1 ARG 43 -8.935 -6.328 -1.308
286 HG2 ARG 43 HG2 ARG 43 -11.093 -6.605 -2.440
287 HG3 ARG 43 HG1 ARG 43 -10.267 -6.554 -3.999
288 HD2 ARG 43 HD2 ARG 43 -9.921 -8.606 -1.819
289 HD3 ARG 43 HD1 ARG 43 -10.677 -8.847 -3.391
290 HE ARG 43 HE ARG 43 -7.956 -7.968 -3.593
291 HH11 ARG 43 HH11 ARG 43 -10.040 -10.748 -3.225
292 HH12 ARG 43 HH12 ARG 43 -8.828 -11.887 -3.711
293 HH21 ARG 43 HH21 ARG 43 -6.341 -9.446 -4.235
294 HH22 ARG 43 HH22 ARG 43 -6.722 -11.143 -4.313
295 H THR 44 HN THR 44 -11.069 -2.906 -3.099
296 HA THR 44 HA THR 44 -10.178 -2.312 -5.708
297 HB THR 44 HB THR 44 -10.927 -4.638 -6.146
298 HG1 THR 44 HG1 THR 44 -11.811 -4.074 -8.021
299 HG21 THR 44 HG21 THR 44 -13.336 -5.169 -6.080
300 HG22 THR 44 HG22 THR 44 -13.640 -3.621 -5.292
301 HG23 THR 44 HG23 THR 44 -12.677 -4.851 -4.476
302 HA PRO 45 HA PRO 45 -11.003 -1.331 -7.517
303 HB2 PRO 45 HB2 PRO 45 -10.987 1.583 -7.720
304 HB3 PRO 45 HB1 PRO 45 -11.690 0.397 -8.828
305 HG2 PRO 45 HG2 PRO 45 -13.204 2.068 -7.320
306 HG3 PRO 45 HG1 PRO 45 -13.734 0.433 -7.780
307 HD2 PRO 45 HD2 PRO 45 -12.557 1.382 -5.181
308 HD3 PRO 45 HD1 PRO 45 -13.927 0.285 -5.461
309 H TRP 46 HN TRP 46 -8.862 -0.462 -8.203
310 HA TRP 46 HA TRP 46 -7.061 -0.327 -6.015
311 HB2 TRP 46 HB2 TRP 46 -6.574 -1.258 -8.351
312 HB3 TRP 46 HB1 TRP 46 -6.412 0.415 -8.876
313 HD1 TRP 46 HD1 TRP 46 -4.646 -2.265 -6.825
314 HE1 TRP 46 HE1 TRP 46 -2.246 -1.496 -6.323
315 HE3 TRP 46 HE3 TRP 46 -4.941 2.543 -8.560
316 HZ2 TRP 46 HZ2 TRP 46 -0.680 0.830 -6.623
317 HZ3 TRP 46 HZ3 TRP 46 -2.943 3.971 -8.409
318 HH2 TRP 46 HH2 TRP 46 -0.859 3.131 -7.461
319 H ASN 47 HN ASN 47 -7.403 1.454 -4.741
320 HA ASN 47 HA ASN 47 -6.628 4.019 -5.914
321 HB2 ASN 47 HB2 ASN 47 -9.092 3.532 -4.225
322 HB3 ASN 47 HB1 ASN 47 -8.395 5.130 -4.463
323 HD21 ASN 47 HD21 ASN 47 -8.519 6.098 -6.496
324 HD22 ASN 47 HD22 ASN 47 -9.634 5.547 -7.699
325 H CYS 48 HN CYS 48 -5.545 5.373 -4.521
326 HA CYS 48 HA CYS 48 -4.176 4.149 -2.344
327 HB2 CYS 48 HB2 CYS 48 -3.103 5.797 -3.781
328 HB3 CYS 48 HB1 CYS 48 -4.279 7.012 -3.312
329 H ILE 49 HN ILE 49 -5.204 3.729 -0.514
330 HA ILE 49 HA ILE 49 -7.620 4.847 0.296
331 HB ILE 49 HB ILE 49 -7.103 3.879 2.571
332 HG12 ILE 49 HG12 ILE 49 -4.593 2.948 1.157
333 HG13 ILE 49 HG11 ILE 49 -4.668 4.066 2.512
334 HG21 ILE 49 HG21 ILE 49 -8.371 2.614 0.992
335 HG22 ILE 49 HG22 ILE 49 -7.211 1.530 1.759
336 HG23 ILE 49 HG23 ILE 49 -6.914 2.129 0.128
337 HD11 ILE 49 HD11 ILE 49 -5.570 2.281 3.920
338 HD12 ILE 49 HD12 ILE 49 -3.994 1.865 3.248
339 HD13 ILE 49 HD13 ILE 49 -5.460 1.165 2.560
340 H PHE 50 HN PHE 50 -4.347 5.863 1.062
341 HA PHE 50 HA PHE 50 -5.154 7.625 3.166
342 HB2 PHE 50 HB2 PHE 50 -2.576 7.532 1.585
343 HB3 PHE 50 HB1 PHE 50 -2.839 8.521 3.015
344 HD1 PHE 50 HD1 PHE 50 -3.485 7.288 5.182
345 HD2 PHE 50 HD2 PHE 50 -1.773 5.365 1.788
346 HE1 PHE 50 HE1 PHE 50 -2.778 5.413 6.603
347 HE2 PHE 50 HE2 PHE 50 -1.068 3.487 3.205
348 HZ PHE 50 HZ PHE 50 -1.571 3.507 5.617
349 H CYS 51 HN CYS 51 -4.301 8.120 -0.263
350 HA CYS 51 HA CYS 51 -4.770 10.917 -0.211
351 HB2 CYS 51 HB2 CYS 51 -4.623 8.904 -2.446
352 HB3 CYS 51 HB1 CYS 51 -5.099 10.566 -2.763
353 H ARG 52 HN ARG 52 -6.874 8.155 -0.520
354 HA ARG 52 HA ARG 52 -9.105 9.785 -1.414
355 HB2 ARG 52 HB2 ARG 52 -8.922 6.842 -0.778
356 HB3 ARG 52 HB1 ARG 52 -10.375 7.640 -1.355
357 HG2 ARG 52 HG2 ARG 52 -7.768 7.490 -2.858
358 HG3 ARG 52 HG1 ARG 52 -9.157 6.437 -3.122
359 HD2 ARG 52 HD2 ARG 52 -9.287 8.097 -4.794
360 HD3 ARG 52 HD1 ARG 52 -10.491 8.542 -3.588
361 HE ARG 52 HE ARG 52 -7.830 9.789 -3.559
362 HH11 ARG 52 HH11 ARG 52 -11.295 10.067 -3.961
363 HH12 ARG 52 HH12 ARG 52 -11.305 11.791 -3.803
364 HH21 ARG 52 HH21 ARG 52 -7.829 12.057 -3.367
365 HH22 ARG 52 HH22 ARG 52 -9.325 12.928 -3.462
366 H MET 53 HN MET 53 -7.686 9.271 1.478
367 HA MET 53 HA MET 53 -8.269 9.588 3.652
368 HB2 MET 53 HB2 MET 53 -10.673 10.892 2.370
369 HB3 MET 53 HB1 MET 53 -10.334 10.948 4.093
370 HG2 MET 53 HG2 MET 53 -8.251 12.125 3.661
371 HG3 MET 53 HG1 MET 53 -8.551 12.036 1.926
372 HE1 MET 53 HE1 MET 53 -11.096 14.499 4.890
373 HE2 MET 53 HE2 MET 53 -9.715 13.500 5.349
374 HE3 MET 53 HE3 MET 53 -11.207 12.741 4.793
375 H LYS 54 HN LYS 54 -8.861 7.055 2.598
376 HA LYS 54 HA LYS 54 -11.504 6.250 3.267
377 HB2 LYS 54 HB2 LYS 54 -8.967 4.748 2.707
378 HB3 LYS 54 HB1 LYS 54 -10.382 3.903 3.315
379 HG2 LYS 54 HG2 LYS 54 -10.327 5.568 0.800
380 HG3 LYS 54 HG1 LYS 54 -10.185 3.808 0.859
381 HD2 LYS 54 HD2 LYS 54 -12.398 3.705 1.961
382 HD3 LYS 54 HD1 LYS 54 -12.539 5.453 1.789
383 HE2 LYS 54 HE2 LYS 54 -13.771 4.407 0.017
384 HE3 LYS 54 HE1 LYS 54 -12.342 5.173 -0.671
385 HZ1 LYS 54 HZ1 LYS 54 -11.262 3.000 -0.699
386 HZ2 LYS 54 HZ2 LYS 54 -12.685 2.995 -1.610
387 HZ3 LYS 54 HZ3 LYS 54 -12.665 2.272 -0.076
388 H GLU 55 HN GLU 55 -8.430 5.458 4.910
389 HA GLU 55 HA GLU 55 -7.984 4.859 7.058
390 HB2 GLU 55 HB2 GLU 55 -10.324 6.675 7.675
391 HB3 GLU 55 HB1 GLU 55 -9.143 6.106 8.840
392 HG2 GLU 55 HG2 GLU 55 -8.549 7.881 6.482
393 HG3 GLU 55 HG1 GLU 55 -8.745 8.417 8.148
394 H SER 56 HN SER 56 -8.935 2.798 6.086
395 HA SER 56 HA SER 56 -11.603 2.076 6.854
396 HB2 SER 56 HB2 SER 56 -9.439 0.294 5.715
397 HB3 SER 56 HB1 SER 56 -11.181 0.018 5.677
398 HG SER 56 HG SER 56 -11.185 2.145 4.489
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 17.095 6.085 8.330
2 H2 GLY 1 HT2 GLY 1 16.665 4.647 9.107
3 H3 GLY 1 HT3 GLY 1 15.493 5.550 8.289
4 HA2 GLY 1 HA1 GLY 1 17.806 4.182 7.035
5 HA3 GLY 1 HA2 GLY 1 16.146 3.606 7.010
6 H ALA 2 HN ALA 2 15.096 4.019 5.212
7 HA ALA 2 HA ALA 2 14.423 4.935 3.249
8 HB1 ALA 2 HB1 ALA 2 14.172 7.353 3.156
9 HB2 ALA 2 HB2 ALA 2 15.248 7.534 4.543
10 HB3 ALA 2 HB3 ALA 2 13.686 6.741 4.739
11 H MET 3 HN MET 3 16.964 3.851 3.143
12 HA MET 3 HA MET 3 18.222 5.610 1.160
13 HB2 MET 3 HB2 MET 3 19.491 5.845 3.260
14 HB3 MET 3 HB1 MET 3 19.730 4.103 3.305
15 HG2 MET 3 HG2 MET 3 20.939 4.269 1.141
16 HG3 MET 3 HG1 MET 3 20.801 6.022 1.250
17 HE1 MET 3 HE1 MET 3 23.247 3.392 4.147
18 HE2 MET 3 HE2 MET 3 22.400 2.783 2.725
19 HE3 MET 3 HE3 MET 3 21.485 3.373 4.111
20 H GLY 4 HN GLY 4 19.017 2.427 2.566
21 HA2 GLY 4 HA2 GLY 4 19.216 1.443 -0.211
22 HA3 GLY 4 HA1 GLY 4 20.195 0.859 1.123
23 H MET 5 HN MET 5 17.456 1.046 2.670
24 HA MET 5 HA MET 5 16.823 -1.734 2.215
25 HB2 MET 5 HB2 MET 5 15.761 0.306 4.160
26 HB3 MET 5 HB1 MET 5 15.100 -1.318 4.039
27 HG2 MET 5 HG2 MET 5 17.306 -2.240 4.577
28 HG3 MET 5 HG1 MET 5 17.938 -0.602 4.739
29 HE1 MET 5 HE1 MET 5 18.835 -1.259 7.191
30 HE2 MET 5 HE2 MET 5 18.169 -2.877 6.973
31 HE3 MET 5 HE3 MET 5 17.802 -1.962 8.436
32 H ARG 6 HN ARG 6 16.289 -0.941 -0.070
33 HA ARG 6 HA ARG 6 13.535 -0.008 -0.320
34 HB2 ARG 6 HB2 ARG 6 15.520 -0.753 -2.481
35 HB3 ARG 6 HB1 ARG 6 13.975 0.053 -2.722
36 HG2 ARG 6 HG2 ARG 6 16.337 1.178 -1.227
37 HG3 ARG 6 HG1 ARG 6 15.833 1.620 -2.858
38 HD2 ARG 6 HD2 ARG 6 13.710 2.451 -1.983
39 HD3 ARG 6 HD1 ARG 6 14.194 1.990 -0.352
40 HE ARG 6 HE ARG 6 16.136 3.706 -1.457
41 HH11 ARG 6 HH11 ARG 6 12.873 3.726 -0.200
42 HH12 ARG 6 HH12 ARG 6 12.915 5.402 0.247
43 HH21 ARG 6 HH21 ARG 6 16.205 5.914 -0.862
44 HH22 ARG 6 HH22 ARG 6 14.814 6.649 -0.131
45 H ASN 7 HN ASN 7 15.250 -2.845 -0.016
46 HA ASN 7 HA ASN 7 13.358 -4.525 -1.429
47 HB2 ASN 7 HB2 ASN 7 14.749 -6.394 -0.551
48 HB3 ASN 7 HB1 ASN 7 15.685 -5.214 -1.462
49 HD21 ASN 7 HD21 ASN 7 16.519 -7.154 0.595
50 HD22 ASN 7 HD22 ASN 7 17.295 -6.223 1.828
51 H LEU 8 HN LEU 8 11.670 -3.448 -0.071
52 HA LEU 8 HA LEU 8 11.458 -4.248 2.684
53 HB2 LEU 8 HB2 LEU 8 9.467 -2.902 0.865
54 HB3 LEU 8 HB1 LEU 8 9.269 -3.112 2.594
55 HG LEU 8 HG LEU 8 11.421 -1.461 1.261
56 HD11 LEU 8 HD11 LEU 8 9.202 -0.461 1.080
57 HD12 LEU 8 HD12 LEU 8 10.236 0.452 2.175
58 HD13 LEU 8 HD13 LEU 8 8.989 -0.614 2.823
59 HD21 LEU 8 HD21 LEU 8 10.776 -1.903 4.170
60 HD22 LEU 8 HD22 LEU 8 11.890 -0.683 3.558
61 HD23 LEU 8 HD23 LEU 8 12.243 -2.393 3.325
62 H ASP 9 HN ASP 9 11.760 -6.547 1.688
63 HA ASP 9 HA ASP 9 9.230 -7.740 0.898
64 HB2 ASP 9 HB2 ASP 9 12.035 -8.839 1.088
65 HB3 ASP 9 HB1 ASP 9 10.636 -9.824 0.674
66 H GLU 10 HN GLU 10 10.251 -6.716 3.653
67 HA GLU 10 HA GLU 10 9.837 -8.990 5.355
68 HB2 GLU 10 HB2 GLU 10 11.146 -7.112 6.178
69 HB3 GLU 10 HB1 GLU 10 9.799 -6.016 5.918
70 HG2 GLU 10 HG2 GLU 10 8.506 -7.236 7.615
71 HG3 GLU 10 HG1 GLU 10 9.902 -8.274 7.899
72 H CYS 11 HN CYS 11 7.979 -6.477 3.877
73 HA CYS 11 HA CYS 11 5.489 -6.860 5.086
74 HB2 CYS 11 HB2 CYS 11 6.073 -4.981 3.606
75 HB3 CYS 11 HB1 CYS 11 6.180 -6.082 2.244
76 H GLU 12 HN GLU 12 4.713 -8.859 5.338
77 HA GLU 12 HA GLU 12 5.375 -11.060 3.729
78 HB2 GLU 12 HB2 GLU 12 4.652 -11.219 6.091
79 HB3 GLU 12 HB1 GLU 12 3.027 -10.758 5.599
80 HG2 GLU 12 HG2 GLU 12 2.960 -12.770 4.147
81 HG3 GLU 12 HG1 GLU 12 4.515 -13.252 4.823
82 H VAL 13 HN VAL 13 2.605 -8.882 3.718
83 HA VAL 13 HA VAL 13 0.972 -10.487 2.082
84 HB VAL 13 HB VAL 13 -0.012 -8.740 3.420
85 HG11 VAL 13 HG11 VAL 13 1.477 -6.792 1.680
86 HG12 VAL 13 HG12 VAL 13 1.817 -7.143 3.373
87 HG13 VAL 13 HG13 VAL 13 0.295 -6.379 2.920
88 HG21 VAL 13 HG21 VAL 13 -0.330 -8.072 0.501
89 HG22 VAL 13 HG22 VAL 13 -1.470 -7.692 1.792
90 HG23 VAL 13 HG23 VAL 13 -1.168 -9.374 1.348
91 H CYS 14 HN CYS 14 3.220 -7.833 1.287
92 HA CYS 14 HA CYS 14 2.728 -7.890 -1.492
93 HB2 CYS 14 HB2 CYS 14 4.980 -6.872 0.196
94 HB3 CYS 14 HB1 CYS 14 5.159 -6.926 -1.554
95 H ARG 15 HN ARG 15 4.919 -9.668 0.566
96 HA ARG 15 HA ARG 15 6.384 -10.968 -1.473
97 HB2 ARG 15 HB2 ARG 15 7.189 -10.874 0.813
98 HB3 ARG 15 HB1 ARG 15 5.793 -11.782 1.373
99 HG2 ARG 15 HG2 ARG 15 6.552 -13.729 0.114
100 HG3 ARG 15 HG1 ARG 15 7.959 -12.819 -0.443
101 HD2 ARG 15 HD2 ARG 15 8.673 -12.524 1.886
102 HD3 ARG 15 HD1 ARG 15 7.279 -13.460 2.424
103 HE ARG 15 HE ARG 15 8.750 -15.000 0.587
104 HH11 ARG 15 HH11 ARG 15 9.017 -13.711 3.832
105 HH12 ARG 15 HH12 ARG 15 10.074 -14.973 4.381
106 HH21 ARG 15 HH21 ARG 15 10.126 -16.666 1.305
107 HH22 ARG 15 HH22 ARG 15 10.691 -16.668 2.945
108 H ASP 16 HN ASP 16 3.428 -11.763 0.244
109 HA ASP 16 HA ASP 16 3.023 -14.289 -0.995
110 HB2 ASP 16 HB2 ASP 16 2.018 -13.670 1.160
111 HB3 ASP 16 HB1 ASP 16 1.053 -12.436 0.362
112 H GLY 17 HN GLY 17 2.638 -11.113 -2.123
113 HA2 GLY 17 HA2 GLY 17 2.183 -10.654 -4.410
114 HA3 GLY 17 HA1 GLY 17 1.233 -12.131 -4.489
115 H GLY 18 HN GLY 18 0.685 -10.173 -1.747
116 HA2 GLY 18 HA2 GLY 18 -2.011 -9.627 -2.449
117 HA3 GLY 18 HA1 GLY 18 -1.150 -8.967 -1.070
118 H GLU 19 HN GLU 19 -2.866 -7.295 -2.137
119 HA GLU 19 HA GLU 19 -1.747 -5.819 -4.355
120 HB2 GLU 19 HB2 GLU 19 -4.159 -5.246 -2.638
121 HB3 GLU 19 HB1 GLU 19 -3.722 -4.366 -4.095
122 HG2 GLU 19 HG2 GLU 19 -4.607 -7.219 -3.856
123 HG3 GLU 19 HG1 GLU 19 -5.434 -5.890 -4.664
124 H LEU 20 HN LEU 20 -1.672 -3.425 -4.210
125 HA LEU 20 HA LEU 20 -0.757 -2.470 -1.587
126 HB2 LEU 20 HB2 LEU 20 1.027 -2.971 -3.441
127 HB3 LEU 20 HB1 LEU 20 0.449 -1.476 -4.147
128 HG LEU 20 HG LEU 20 1.476 -1.634 -1.316
129 HD11 LEU 20 HD11 LEU 20 3.241 -2.382 -2.806
130 HD12 LEU 20 HD12 LEU 20 3.599 -0.768 -2.189
131 HD13 LEU 20 HD13 LEU 20 2.996 -0.972 -3.834
132 HD21 LEU 20 HD21 LEU 20 1.187 0.685 -3.230
133 HD22 LEU 20 HD22 LEU 20 1.776 0.763 -1.569
134 HD23 LEU 20 HD23 LEU 20 0.098 0.323 -1.891
135 H PHE 21 HN PHE 21 -1.933 -0.765 -0.949
136 HA PHE 21 HA PHE 21 -3.770 0.383 -2.936
137 HB2 PHE 21 HB2 PHE 21 -4.017 0.285 0.088
138 HB3 PHE 21 HB1 PHE 21 -5.239 0.890 -1.027
139 HD1 PHE 21 HD2 PHE 21 -6.212 -0.751 -2.725
140 HD2 PHE 21 HD1 PHE 21 -3.955 -1.974 0.672
141 HE1 PHE 21 HE2 PHE 21 -7.142 -3.018 -2.922
142 HE2 PHE 21 HE1 PHE 21 -4.881 -4.243 0.476
143 HZ PHE 21 HZ PHE 21 -6.478 -4.764 -1.324
144 H CYS 22 HN CYS 22 -1.367 1.499 -3.131
145 HA CYS 22 HA CYS 22 -1.759 4.186 -2.091
146 HB2 CYS 22 HB2 CYS 22 0.672 2.503 -1.466
147 HB3 CYS 22 HB1 CYS 22 0.637 4.254 -1.288
148 H CYS 23 HN CYS 23 -0.467 5.763 -3.159
149 HA CYS 23 HA CYS 23 0.348 5.156 -5.837
150 HB2 CYS 23 HB2 CYS 23 1.013 7.678 -4.307
151 HB3 CYS 23 HB1 CYS 23 0.776 7.493 -6.045
152 H ASP 24 HN ASP 24 2.633 5.823 -6.568
153 HA ASP 24 HA ASP 24 4.576 4.274 -5.346
154 HB2 ASP 24 HB2 ASP 24 4.819 5.104 -7.630
155 HB3 ASP 24 HB1 ASP 24 4.953 6.756 -7.041
156 H THR 25 HN THR 25 4.091 7.772 -5.052
157 HA THR 25 HA THR 25 6.148 8.254 -3.205
158 HB THR 25 HB THR 25 3.566 9.806 -3.441
159 HG1 THR 25 HG1 THR 25 4.262 10.020 -5.451
160 HG21 THR 25 HG21 THR 25 4.967 10.437 -1.532
161 HG22 THR 25 HG22 THR 25 4.952 11.710 -2.753
162 HG23 THR 25 HG23 THR 25 6.348 10.641 -2.609
163 H CYS 26 HN CYS 26 2.696 7.622 -2.710
164 HA CYS 26 HA CYS 26 2.689 7.946 0.080
165 HB2 CYS 26 HB2 CYS 26 0.812 6.343 -1.668
166 HB3 CYS 26 HB1 CYS 26 0.478 6.870 -0.020
167 H SER 27 HN SER 27 3.275 5.126 -1.943
168 HA SER 27 HA SER 27 3.210 3.216 0.169
169 HB2 SER 27 HB2 SER 27 2.928 2.652 -2.247
170 HB3 SER 27 HB1 SER 27 4.633 3.016 -2.495
171 HG SER 27 HG SER 27 4.738 0.921 -2.101
172 H ARG 28 HN ARG 28 5.711 5.211 -1.259
173 HA ARG 28 HA ARG 28 7.927 3.827 -0.181
174 HB2 ARG 28 HB2 ARG 28 7.535 6.568 -1.331
175 HB3 ARG 28 HB1 ARG 28 9.088 6.075 -0.669
176 HG2 ARG 28 HG2 ARG 28 9.445 4.499 -2.319
177 HG3 ARG 28 HG1 ARG 28 7.728 4.363 -2.701
178 HD2 ARG 28 HD2 ARG 28 8.867 5.516 -4.484
179 HD3 ARG 28 HD1 ARG 28 7.786 6.629 -3.655
180 HE ARG 28 HE ARG 28 10.228 6.979 -2.452
181 HH11 ARG 28 HH11 ARG 28 8.963 7.175 -5.710
182 HH12 ARG 28 HH12 ARG 28 10.100 8.389 -6.218
183 HH21 ARG 28 HH21 ARG 28 11.727 8.590 -3.111
184 HH22 ARG 28 HH22 ARG 28 11.668 9.198 -4.733
185 H VAL 29 HN VAL 29 5.784 6.211 1.131
186 HA VAL 29 HA VAL 29 7.602 6.679 3.360
187 HB VAL 29 HB VAL 29 5.901 8.391 4.087
188 HG11 VAL 29 HG11 VAL 29 7.937 9.008 2.921
189 HG12 VAL 29 HG12 VAL 29 6.596 10.018 2.377
190 HG13 VAL 29 HG13 VAL 29 7.167 8.688 1.366
191 HG21 VAL 29 HG21 VAL 29 3.970 7.504 2.875
192 HG22 VAL 29 HG22 VAL 29 4.767 7.855 1.342
193 HG23 VAL 29 HG23 VAL 29 4.302 9.173 2.415
194 H PHE 30 HN PHE 30 4.346 5.375 2.753
195 HA PHE 30 HA PHE 30 4.417 4.300 5.500
196 HB2 PHE 30 HB2 PHE 30 1.909 5.281 4.121
197 HB3 PHE 30 HB1 PHE 30 2.050 4.698 5.774
198 HD1 PHE 30 HD2 PHE 30 4.030 6.072 7.100
199 HD2 PHE 30 HD1 PHE 30 1.591 7.552 3.933
200 HE1 PHE 30 HE2 PHE 30 4.415 8.374 7.876
201 HE2 PHE 30 HE1 PHE 30 1.981 9.852 4.710
202 HZ PHE 30 HZ PHE 30 3.334 10.272 6.680
203 H HIS 31 HN HIS 31 5.373 2.685 3.684
204 HA HIS 31 HA HIS 31 3.601 1.201 2.113
205 HB2 HIS 31 HB2 HIS 31 6.070 1.149 1.880
206 HB3 HIS 31 HB1 HIS 31 6.172 0.233 3.377
207 HD1 HIS 31 HD1 HIS 31 4.703 -0.150 -0.133
208 HD2 HIS 31 HD2 HIS 31 6.054 -2.439 3.070
209 HE1 HIS 31 HE1 HIS 31 4.703 -2.563 -0.920
210 H GLU 32 HN GLU 32 4.701 0.605 5.446
211 HA GLU 32 HA GLU 32 3.543 -1.992 5.571
212 HB2 GLU 32 HB2 GLU 32 4.419 -0.152 7.802
213 HB3 GLU 32 HB1 GLU 32 4.040 -1.860 7.983
214 HG2 GLU 32 HG2 GLU 32 5.890 -2.456 6.542
215 HG3 GLU 32 HG1 GLU 32 6.243 -0.754 6.253
216 H ASP 33 HN ASP 33 2.539 1.194 6.654
217 HA ASP 33 HA ASP 33 0.118 0.367 7.886
218 HB2 ASP 33 HB2 ASP 33 0.970 3.048 6.785
219 HB3 ASP 33 HB1 ASP 33 -0.512 2.790 7.697
220 H CYS 34 HN CYS 34 1.066 0.899 4.639
221 HA CYS 34 HA CYS 34 -1.359 1.688 3.470
222 HB2 CYS 34 HB2 CYS 34 0.896 1.807 2.395
223 HB3 CYS 34 HB1 CYS 34 0.840 0.056 2.192
224 H HIS 35 HN HIS 35 -0.172 -1.466 4.397
225 HA HIS 35 HA HIS 35 -2.284 -2.793 2.864
226 HB2 HIS 35 HB2 HIS 35 -0.094 -4.061 4.519
227 HB3 HIS 35 HB1 HIS 35 -1.138 -4.863 3.346
228 HD1 HIS 35 HD1 HIS 35 -0.481 -4.620 0.825
229 HD2 HIS 35 HD2 HIS 35 1.943 -2.503 3.455
230 HE1 HIS 35 HE1 HIS 35 1.544 -3.882 -0.500
231 H ILE 36 HN ILE 36 -2.602 -1.153 5.378
232 HA ILE 36 HA ILE 36 -4.181 -3.132 6.860
233 HB ILE 36 HB ILE 36 -2.500 -0.955 8.118
234 HG12 ILE 36 HG12 ILE 36 -2.186 -3.966 8.245
235 HG13 ILE 36 HG11 ILE 36 -1.166 -2.877 7.311
236 HG21 ILE 36 HG21 ILE 36 -3.213 -1.924 10.254
237 HG22 ILE 36 HG22 ILE 36 -4.256 -3.052 9.388
238 HG23 ILE 36 HG23 ILE 36 -4.583 -1.321 9.320
239 HD11 ILE 36 HD11 ILE 36 -0.399 -1.820 9.365
240 HD12 ILE 36 HD12 ILE 36 -0.097 -3.557 9.390
241 HD13 ILE 36 HD13 ILE 36 -1.443 -2.884 10.309
242 HA PRO 37 HA PRO 37 -5.893 -3.590 6.827
243 HB2 PRO 37 HB2 PRO 37 -8.511 -3.676 6.376
244 HB3 PRO 37 HB1 PRO 37 -7.887 -3.136 7.947
245 HG2 PRO 37 HG2 PRO 37 -8.988 -1.529 5.679
246 HG3 PRO 37 HG1 PRO 37 -9.158 -1.273 7.425
247 HD2 PRO 37 HD2 PRO 37 -7.324 0.015 5.724
248 HD3 PRO 37 HD1 PRO 37 -7.287 0.013 7.497
249 HA PRO 38 HA PRO 38 -5.866 -4.109 2.386
250 HB2 PRO 38 HB2 PRO 38 -5.752 -6.795 2.270
251 HB3 PRO 38 HB1 PRO 38 -4.376 -5.821 2.803
252 HG2 PRO 38 HG2 PRO 38 -6.324 -7.400 4.418
253 HG3 PRO 38 HG1 PRO 38 -4.588 -7.157 4.677
254 HD2 PRO 38 HD2 PRO 38 -6.616 -5.794 6.011
255 HD3 PRO 38 HD1 PRO 38 -4.931 -5.251 5.883
256 H VAL 39 HN VAL 39 -7.797 -3.522 1.498
257 HA VAL 39 HA VAL 39 -10.227 -4.925 2.112
258 HB VAL 39 HB VAL 39 -11.253 -3.419 0.393
259 HG11 VAL 39 HG11 VAL 39 -10.980 -1.367 1.730
260 HG12 VAL 39 HG12 VAL 39 -9.615 -2.111 2.563
261 HG13 VAL 39 HG13 VAL 39 -11.232 -2.793 2.736
262 HG21 VAL 39 HG21 VAL 39 -8.490 -2.211 0.284
263 HG22 VAL 39 HG22 VAL 39 -9.938 -1.578 -0.500
264 HG23 VAL 39 HG23 VAL 39 -9.258 -3.123 -1.013
265 H GLU 40 HN GLU 40 -11.334 -6.358 0.892
266 HA GLU 40 HA GLU 40 -9.853 -7.595 -1.312
267 HB2 GLU 40 HB2 GLU 40 -10.525 -8.982 0.648
268 HB3 GLU 40 HB1 GLU 40 -12.208 -8.638 0.284
269 HG2 GLU 40 HG2 GLU 40 -11.556 -10.846 -0.489
270 HG3 GLU 40 HG1 GLU 40 -12.010 -9.804 -1.837
271 H ALA 41 HN ALA 41 -12.387 -5.485 -0.772
272 HA ALA 41 HA ALA 41 -14.007 -6.334 -3.029
273 HB1 ALA 41 HB1 ALA 41 -14.316 -3.920 -1.252
274 HB2 ALA 41 HB2 ALA 41 -15.077 -5.489 -0.984
275 HB3 ALA 41 HB3 ALA 41 -15.501 -4.534 -2.405
276 H GLU 42 HN GLU 42 -11.212 -4.604 -2.721
277 HA GLU 42 HA GLU 42 -11.753 -3.104 -5.186
278 HB2 GLU 42 HB2 GLU 42 -10.326 -1.998 -2.755
279 HB3 GLU 42 HB1 GLU 42 -10.452 -1.188 -4.312
280 HG2 GLU 42 HG2 GLU 42 -12.879 -1.106 -4.077
281 HG3 GLU 42 HG1 GLU 42 -12.759 -1.919 -2.520
282 H ARG 43 HN ARG 43 -10.663 -5.093 -5.967
283 HA ARG 43 HA ARG 43 -7.807 -5.272 -5.448
284 HB2 ARG 43 HB2 ARG 43 -9.510 -6.893 -7.353
285 HB3 ARG 43 HB1 ARG 43 -7.855 -7.247 -6.879
286 HG2 ARG 43 HG2 ARG 43 -10.241 -7.253 -5.043
287 HG3 ARG 43 HG1 ARG 43 -9.465 -8.676 -5.733
288 HD2 ARG 43 HD2 ARG 43 -8.227 -6.692 -3.831
289 HD3 ARG 43 HD1 ARG 43 -8.714 -8.344 -3.458
290 HE ARG 43 HE ARG 43 -6.467 -7.576 -5.200
291 HH11 ARG 43 HH11 ARG 43 -8.135 -9.981 -3.268
292 HH12 ARG 43 HH12 ARG 43 -6.770 -11.059 -3.227
293 HH21 ARG 43 HH21 ARG 43 -4.682 -8.996 -5.154
294 HH22 ARG 43 HH22 ARG 43 -4.826 -10.516 -4.317
295 H THR 44 HN THR 44 -9.955 -4.665 -8.213
296 HA THR 44 HA THR 44 -7.760 -3.210 -9.494
297 HB THR 44 HB THR 44 -8.608 -4.146 -11.716
298 HG1 THR 44 HG1 THR 44 -9.421 -6.484 -11.002
299 HG21 THR 44 HG21 THR 44 -7.248 -5.995 -9.750
300 HG22 THR 44 HG22 THR 44 -6.463 -4.845 -10.834
301 HG23 THR 44 HG23 THR 44 -7.302 -6.248 -11.494
302 HA PRO 45 HA PRO 45 -7.275 -1.611 -10.385
303 HB2 PRO 45 HB2 PRO 45 -7.219 1.060 -10.150
304 HB3 PRO 45 HB1 PRO 45 -7.682 0.281 -11.673
305 HG2 PRO 45 HG2 PRO 45 -9.432 1.454 -9.534
306 HG3 PRO 45 HG1 PRO 45 -9.554 1.622 -11.300
307 HD2 PRO 45 HD2 PRO 45 -11.065 -0.143 -9.851
308 HD3 PRO 45 HD1 PRO 45 -10.605 -0.413 -11.544
309 H TRP 46 HN TRP 46 -5.775 -0.226 -8.854
310 HA TRP 46 HA TRP 46 -6.439 -0.953 -6.164
311 HB2 TRP 46 HB2 TRP 46 -4.247 0.189 -5.604
312 HB3 TRP 46 HB1 TRP 46 -4.117 -1.122 -6.771
313 HD1 TRP 46 HD1 TRP 46 -3.385 -0.493 -9.242
314 HE1 TRP 46 HE1 TRP 46 -2.317 1.618 -10.258
315 HE3 TRP 46 HE3 TRP 46 -4.237 2.784 -5.402
316 HZ2 TRP 46 HZ2 TRP 46 -1.893 4.313 -9.530
317 HZ3 TRP 46 HZ3 TRP 46 -3.468 5.109 -5.648
318 HH2 TRP 46 HH2 TRP 46 -2.320 5.855 -7.667
319 H ASN 47 HN ASN 47 -6.227 0.681 -4.360
320 HA ASN 47 HA ASN 47 -7.220 3.333 -5.105
321 HB2 ASN 47 HB2 ASN 47 -9.217 1.978 -4.636
322 HB3 ASN 47 HB1 ASN 47 -8.548 1.510 -3.077
323 HD21 ASN 47 HD21 ASN 47 -9.992 4.060 -4.930
324 HD22 ASN 47 HD22 ASN 47 -10.341 5.106 -3.597
325 H CYS 48 HN CYS 48 -5.906 4.764 -4.153
326 HA CYS 48 HA CYS 48 -4.195 3.962 -1.992
327 HB2 CYS 48 HB2 CYS 48 -3.389 5.523 -3.717
328 HB3 CYS 48 HB1 CYS 48 -4.606 6.695 -3.226
329 H ILE 49 HN ILE 49 -5.141 3.645 -0.097
330 HA ILE 49 HA ILE 49 -7.465 4.912 0.813
331 HB ILE 49 HB ILE 49 -6.799 4.085 3.095
332 HG12 ILE 49 HG12 ILE 49 -4.418 2.997 1.567
333 HG13 ILE 49 HG11 ILE 49 -4.374 4.173 2.873
334 HG21 ILE 49 HG21 ILE 49 -8.206 2.757 1.662
335 HG22 ILE 49 HG22 ILE 49 -7.064 1.701 2.493
336 HG23 ILE 49 HG23 ILE 49 -6.803 2.127 0.804
337 HD11 ILE 49 HD11 ILE 49 -5.204 1.293 3.090
338 HD12 ILE 49 HD12 ILE 49 -5.241 2.466 4.406
339 HD13 ILE 49 HD13 ILE 49 -3.703 2.010 3.676
340 H PHE 50 HN PHE 50 -4.142 5.921 0.975
341 HA PHE 50 HA PHE 50 -4.576 7.877 3.022
342 HB2 PHE 50 HB2 PHE 50 -2.297 7.545 1.057
343 HB3 PHE 50 HB1 PHE 50 -2.320 8.737 2.357
344 HD1 PHE 50 HD1 PHE 50 -2.540 7.902 4.741
345 HD2 PHE 50 HD2 PHE 50 -1.593 5.344 1.474
346 HE1 PHE 50 HE1 PHE 50 -1.674 6.225 6.312
347 HE2 PHE 50 HE2 PHE 50 -0.727 3.662 3.042
348 HZ PHE 50 HZ PHE 50 -0.771 4.098 5.462
349 H CYS 51 HN CYS 51 -4.383 8.007 -0.527
350 HA CYS 51 HA CYS 51 -4.869 10.837 -0.568
351 HB2 CYS 51 HB2 CYS 51 -4.816 8.734 -2.725
352 HB3 CYS 51 HB1 CYS 51 -5.280 10.398 -3.059
353 H ARG 52 HN ARG 52 -6.815 7.980 -0.561
354 HA ARG 52 HA ARG 52 -9.265 9.068 -1.420
355 HB2 ARG 52 HB2 ARG 52 -8.752 6.647 -1.163
356 HB3 ARG 52 HB1 ARG 52 -8.776 6.856 0.581
357 HG2 ARG 52 HG2 ARG 52 -11.135 7.484 0.473
358 HG3 ARG 52 HG1 ARG 52 -11.107 7.269 -1.281
359 HD2 ARG 52 HD2 ARG 52 -10.374 4.918 -0.905
360 HD3 ARG 52 HD1 ARG 52 -10.632 5.165 0.818
361 HE ARG 52 HE ARG 52 -13.021 5.793 -0.056
362 HH11 ARG 52 HH11 ARG 52 -10.918 3.216 -1.114
363 HH12 ARG 52 HH12 ARG 52 -12.213 2.160 -1.589
364 HH21 ARG 52 HH21 ARG 52 -14.746 4.413 -0.666
365 HH22 ARG 52 HH22 ARG 52 -14.396 2.844 -1.316
366 H MET 53 HN MET 53 -7.560 9.125 1.609
367 HA MET 53 HA MET 53 -9.801 10.506 2.910
368 HB2 MET 53 HB2 MET 53 -7.364 9.139 4.079
369 HB3 MET 53 HB1 MET 53 -8.537 10.040 5.028
370 HG2 MET 53 HG2 MET 53 -10.246 8.480 4.586
371 HG3 MET 53 HG1 MET 53 -9.311 7.704 3.309
372 HE1 MET 53 HE1 MET 53 -8.083 7.445 7.759
373 HE2 MET 53 HE2 MET 53 -9.458 8.401 7.207
374 HE3 MET 53 HE3 MET 53 -7.821 8.867 6.749
375 H LYS 54 HN LYS 54 -9.603 12.655 2.477
376 HA LYS 54 HA LYS 54 -7.044 13.928 2.197
377 HB2 LYS 54 HB2 LYS 54 -8.314 15.992 1.892
378 HB3 LYS 54 HB1 LYS 54 -8.978 14.700 0.905
379 HG2 LYS 54 HG2 LYS 54 -10.781 14.381 2.501
380 HG3 LYS 54 HG1 LYS 54 -10.092 15.621 3.549
381 HD2 LYS 54 HD2 LYS 54 -10.390 17.266 1.732
382 HD3 LYS 54 HD1 LYS 54 -11.158 16.015 0.754
383 HE2 LYS 54 HE2 LYS 54 -12.144 16.947 3.449
384 HE3 LYS 54 HE1 LYS 54 -12.773 17.511 1.905
385 HZ1 LYS 54 HZ1 LYS 54 -13.371 15.178 1.406
386 HZ2 LYS 54 HZ2 LYS 54 -14.190 15.808 2.741
387 HZ3 LYS 54 HZ3 LYS 54 -12.898 14.744 2.972
388 H GLU 55 HN GLU 55 -8.139 12.708 4.826
389 HA GLU 55 HA GLU 55 -6.984 14.728 6.544
390 HB2 GLU 55 HB2 GLU 55 -9.340 15.346 6.584
391 HB3 GLU 55 HB1 GLU 55 -9.796 13.686 6.937
392 HG2 GLU 55 HG2 GLU 55 -9.929 15.033 8.930
393 HG3 GLU 55 HG1 GLU 55 -8.649 13.833 9.091
394 H SER 56 HN SER 56 -6.225 13.866 8.503
395 HA SER 56 HA SER 56 -6.511 10.987 8.902
396 HB2 SER 56 HB2 SER 56 -3.818 12.359 8.671
397 HB3 SER 56 HB1 SER 56 -4.084 10.661 9.067
398 HG SER 56 HG SER 56 -5.410 11.076 6.853
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 13.576 5.378 5.594
2 H2 GLY 1 HT2 GLY 1 14.742 6.383 6.292
3 H3 GLY 1 HT3 GLY 1 14.893 4.702 6.410
4 HA2 GLY 1 HA1 GLY 1 15.208 4.516 4.037
5 HA3 GLY 1 HA2 GLY 1 15.012 6.257 3.889
6 H ALA 2 HN ALA 2 16.779 7.442 3.897
7 HA ALA 2 HA ALA 2 18.868 8.221 4.271
8 HB1 ALA 2 HB1 ALA 2 20.154 7.464 6.188
9 HB2 ALA 2 HB2 ALA 2 19.085 6.077 6.382
10 HB3 ALA 2 HB3 ALA 2 18.467 7.708 6.636
11 H MET 3 HN MET 3 19.349 4.728 4.831
12 HA MET 3 HA MET 3 21.704 4.736 3.191
13 HB2 MET 3 HB2 MET 3 21.576 3.250 5.114
14 HB3 MET 3 HB1 MET 3 20.164 2.450 4.435
15 HG2 MET 3 HG2 MET 3 21.544 1.690 2.538
16 HG3 MET 3 HG1 MET 3 22.952 2.423 3.301
17 HE1 MET 3 HE1 MET 3 22.654 -0.692 2.379
18 HE2 MET 3 HE2 MET 3 23.519 -1.445 3.717
19 HE3 MET 3 HE3 MET 3 24.126 0.048 3.004
20 H GLY 4 HN GLY 4 18.633 2.924 2.921
21 HA2 GLY 4 HA2 GLY 4 18.964 3.081 -0.009
22 HA3 GLY 4 HA1 GLY 4 18.559 1.563 0.776
23 H MET 5 HN MET 5 17.272 3.886 -1.011
24 HA MET 5 HA MET 5 14.760 4.247 0.339
25 HB2 MET 5 HB2 MET 5 14.028 5.330 -1.720
26 HB3 MET 5 HB1 MET 5 15.610 5.931 -1.251
27 HG2 MET 5 HG2 MET 5 16.646 4.433 -2.901
28 HG3 MET 5 HG1 MET 5 15.042 3.899 -3.397
29 HE1 MET 5 HE1 MET 5 16.276 6.122 -6.398
30 HE2 MET 5 HE2 MET 5 15.677 4.534 -5.923
31 HE3 MET 5 HE3 MET 5 17.263 5.076 -5.377
32 H ARG 6 HN ARG 6 12.721 3.452 -0.498
33 HA ARG 6 HA ARG 6 11.322 1.734 -0.975
34 HB2 ARG 6 HB2 ARG 6 12.175 2.207 -3.282
35 HB3 ARG 6 HB1 ARG 6 13.396 0.968 -3.040
36 HG2 ARG 6 HG2 ARG 6 11.532 -0.667 -2.674
37 HG3 ARG 6 HG1 ARG 6 10.415 0.601 -3.183
38 HD2 ARG 6 HD2 ARG 6 11.003 -0.912 -5.026
39 HD3 ARG 6 HD1 ARG 6 11.515 0.743 -5.338
40 HE ARG 6 HE ARG 6 13.784 0.015 -4.673
41 HH11 ARG 6 HH11 ARG 6 11.469 -2.404 -5.718
42 HH12 ARG 6 HH12 ARG 6 12.687 -3.523 -6.233
43 HH21 ARG 6 HH21 ARG 6 15.380 -1.452 -5.353
44 HH22 ARG 6 HH22 ARG 6 14.913 -2.980 -6.033
45 H ASN 7 HN ASN 7 12.906 1.346 1.191
46 HA ASN 7 HA ASN 7 14.138 -1.272 1.032
47 HB2 ASN 7 HB2 ASN 7 14.542 -0.920 3.504
48 HB3 ASN 7 HB1 ASN 7 15.294 0.265 2.446
49 HD21 ASN 7 HD21 ASN 7 14.502 2.390 2.429
50 HD22 ASN 7 HD22 ASN 7 13.457 2.982 3.679
51 H LEU 8 HN LEU 8 11.983 -2.008 0.243
52 HA LEU 8 HA LEU 8 10.008 -2.427 2.362
53 HB2 LEU 8 HB2 LEU 8 9.704 -3.007 -0.575
54 HB3 LEU 8 HB1 LEU 8 8.430 -2.826 0.616
55 HG LEU 8 HG LEU 8 10.232 -0.615 -0.375
56 HD11 LEU 8 HD11 LEU 8 8.659 -1.314 -2.073
57 HD12 LEU 8 HD12 LEU 8 8.202 0.260 -1.423
58 HD13 LEU 8 HD13 LEU 8 7.329 -1.188 -0.922
59 HD21 LEU 8 HD21 LEU 8 9.576 -0.264 1.936
60 HD22 LEU 8 HD22 LEU 8 7.884 -0.524 1.511
61 HD23 LEU 8 HD23 LEU 8 8.749 0.874 0.872
62 H ASP 9 HN ASP 9 12.601 -3.901 1.753
63 HA ASP 9 HA ASP 9 11.821 -6.565 1.002
64 HB2 ASP 9 HB2 ASP 9 14.159 -7.153 1.455
65 HB3 ASP 9 HB1 ASP 9 14.051 -5.715 0.447
66 H GLU 10 HN GLU 10 10.175 -6.057 2.915
67 HA GLU 10 HA GLU 10 10.811 -7.853 5.033
68 HB2 GLU 10 HB2 GLU 10 10.439 -6.177 6.867
69 HB3 GLU 10 HB1 GLU 10 11.950 -5.979 5.990
70 HG2 GLU 10 HG2 GLU 10 10.921 -4.182 4.666
71 HG3 GLU 10 HG1 GLU 10 9.445 -4.356 5.612
72 H CYS 11 HN CYS 11 8.725 -6.003 3.168
73 HA CYS 11 HA CYS 11 6.335 -6.321 4.691
74 HB2 CYS 11 HB2 CYS 11 6.630 -4.541 3.040
75 HB3 CYS 11 HB1 CYS 11 6.785 -5.733 1.764
76 H GLU 12 HN GLU 12 5.835 -8.354 5.192
77 HA GLU 12 HA GLU 12 6.459 -10.615 3.632
78 HB2 GLU 12 HB2 GLU 12 4.415 -10.369 5.836
79 HB3 GLU 12 HB1 GLU 12 5.144 -11.858 5.256
80 HG2 GLU 12 HG2 GLU 12 6.513 -9.609 6.707
81 HG3 GLU 12 HG1 GLU 12 6.186 -11.231 7.316
82 H VAL 13 HN VAL 13 3.613 -8.619 3.919
83 HA VAL 13 HA VAL 13 1.853 -10.366 2.561
84 HB VAL 13 HB VAL 13 0.936 -8.672 3.990
85 HG11 VAL 13 HG11 VAL 13 2.043 -6.624 2.093
86 HG12 VAL 13 HG12 VAL 13 2.684 -6.990 3.693
87 HG13 VAL 13 HG13 VAL 13 1.067 -6.314 3.528
88 HG21 VAL 13 HG21 VAL 13 0.232 -8.067 1.127
89 HG22 VAL 13 HG22 VAL 13 -0.752 -7.677 2.537
90 HG23 VAL 13 HG23 VAL 13 -0.454 -9.363 2.108
91 H CYS 14 HN CYS 14 4.111 -7.914 1.428
92 HA CYS 14 HA CYS 14 3.212 -7.844 -1.250
93 HB2 CYS 14 HB2 CYS 14 5.620 -6.985 0.193
94 HB3 CYS 14 HB1 CYS 14 5.904 -7.426 -1.487
95 H ARG 15 HN ARG 15 5.322 -10.026 0.499
96 HA ARG 15 HA ARG 15 6.332 -11.425 -1.750
97 HB2 ARG 15 HB2 ARG 15 5.869 -12.651 0.959
98 HB3 ARG 15 HB1 ARG 15 7.076 -13.102 -0.233
99 HG2 ARG 15 HG2 ARG 15 8.125 -10.843 0.144
100 HG3 ARG 15 HG1 ARG 15 7.031 -10.662 1.518
101 HD2 ARG 15 HD2 ARG 15 7.974 -13.049 2.130
102 HD3 ARG 15 HD1 ARG 15 9.332 -12.513 1.147
103 HE ARG 15 HE ARG 15 8.453 -11.385 3.706
104 HH11 ARG 15 HH11 ARG 15 10.723 -11.327 1.036
105 HH12 ARG 15 HH12 ARG 15 11.926 -10.448 1.918
106 HH21 ARG 15 HH21 ARG 15 10.032 -10.253 4.874
107 HH22 ARG 15 HH22 ARG 15 11.540 -9.838 4.109
108 H ASP 16 HN ASP 16 3.495 -11.735 0.241
109 HA ASP 16 HA ASP 16 2.542 -14.179 -0.858
110 HB2 ASP 16 HB2 ASP 16 1.831 -13.426 1.345
111 HB3 ASP 16 HB1 ASP 16 1.121 -11.974 0.655
112 H GLY 17 HN GLY 17 2.706 -11.053 -2.082
113 HA2 GLY 17 HA2 GLY 17 2.072 -10.398 -4.240
114 HA3 GLY 17 HA1 GLY 17 0.970 -11.770 -4.308
115 H GLY 18 HN GLY 18 0.885 -9.889 -1.468
116 HA2 GLY 18 HA2 GLY 18 -1.810 -9.250 -1.627
117 HA3 GLY 18 HA1 GLY 18 -0.652 -8.453 -0.579
118 H GLU 19 HN GLU 19 -2.915 -7.308 -1.911
119 HA GLU 19 HA GLU 19 -1.839 -5.787 -4.138
120 HB2 GLU 19 HB2 GLU 19 -4.601 -5.815 -2.907
121 HB3 GLU 19 HB1 GLU 19 -4.146 -4.969 -4.383
122 HG2 GLU 19 HG2 GLU 19 -3.689 -7.019 -5.506
123 HG3 GLU 19 HG1 GLU 19 -3.883 -7.939 -4.016
124 H LEU 20 HN LEU 20 -1.694 -3.564 -4.177
125 HA LEU 20 HA LEU 20 -1.309 -2.412 -1.504
126 HB2 LEU 20 HB2 LEU 20 0.510 -2.777 -3.458
127 HB3 LEU 20 HB1 LEU 20 -0.074 -1.187 -3.906
128 HG LEU 20 HG LEU 20 0.985 -1.844 -1.156
129 HD11 LEU 20 HD11 LEU 20 2.415 -0.657 -3.532
130 HD12 LEU 20 HD12 LEU 20 2.747 -2.216 -2.777
131 HD13 LEU 20 HD13 LEU 20 3.049 -0.722 -1.889
132 HD21 LEU 20 HD21 LEU 20 0.536 0.785 -2.572
133 HD22 LEU 20 HD22 LEU 20 1.212 0.576 -0.957
134 HD23 LEU 20 HD23 LEU 20 -0.463 0.127 -1.277
135 H PHE 21 HN PHE 21 -2.389 -0.571 -0.961
136 HA PHE 21 HA PHE 21 -4.137 0.585 -3.040
137 HB2 PHE 21 HB2 PHE 21 -4.540 0.512 -0.032
138 HB3 PHE 21 HB1 PHE 21 -5.646 1.242 -1.192
139 HD1 PHE 21 HD2 PHE 21 -6.782 -0.249 -2.887
140 HD2 PHE 21 HD1 PHE 21 -4.640 -1.791 0.460
141 HE1 PHE 21 HE2 PHE 21 -7.930 -2.409 -3.145
142 HE2 PHE 21 HE1 PHE 21 -5.785 -3.952 0.199
143 HZ PHE 21 HZ PHE 21 -7.431 -4.263 -1.604
144 H CYS 22 HN CYS 22 -1.637 1.552 -3.088
145 HA CYS 22 HA CYS 22 -1.970 4.297 -2.231
146 HB2 CYS 22 HB2 CYS 22 0.032 2.449 -1.008
147 HB3 CYS 22 HB1 CYS 22 0.504 4.120 -1.298
148 H CYS 23 HN CYS 23 -0.545 5.748 -3.251
149 HA CYS 23 HA CYS 23 0.424 5.015 -5.825
150 HB2 CYS 23 HB2 CYS 23 1.197 7.514 -4.312
151 HB3 CYS 23 HB1 CYS 23 1.038 7.304 -6.057
152 H ASP 24 HN ASP 24 2.795 5.635 -6.449
153 HA ASP 24 HA ASP 24 4.603 3.981 -5.119
154 HB2 ASP 24 HB2 ASP 24 5.191 6.420 -6.815
155 HB3 ASP 24 HB1 ASP 24 6.393 5.239 -6.316
156 H THR 25 HN THR 25 4.224 7.508 -4.880
157 HA THR 25 HA THR 25 6.242 7.965 -2.989
158 HB THR 25 HB THR 25 4.852 10.056 -2.494
159 HG1 THR 25 HG1 THR 25 3.201 10.357 -4.198
160 HG21 THR 25 HG21 THR 25 5.367 11.069 -4.667
161 HG22 THR 25 HG22 THR 25 5.595 9.465 -5.362
162 HG23 THR 25 HG23 THR 25 6.692 10.048 -4.112
163 H CYS 26 HN CYS 26 2.750 7.595 -2.590
164 HA CYS 26 HA CYS 26 2.647 7.823 0.192
165 HB2 CYS 26 HB2 CYS 26 0.794 6.270 -1.633
166 HB3 CYS 26 HB1 CYS 26 0.409 6.838 -0.012
167 H SER 27 HN SER 27 3.201 5.035 -1.885
168 HA SER 27 HA SER 27 3.000 3.077 0.171
169 HB2 SER 27 HB2 SER 27 2.658 2.526 -2.191
170 HB3 SER 27 HB1 SER 27 4.331 2.953 -2.546
171 HG SER 27 HG SER 27 4.499 0.841 -2.251
172 H ARG 28 HN ARG 28 5.678 4.895 -1.243
173 HA ARG 28 HA ARG 28 7.774 3.337 -0.229
174 HB2 ARG 28 HB2 ARG 28 7.577 6.191 -1.121
175 HB3 ARG 28 HB1 ARG 28 9.085 5.540 -0.493
176 HG2 ARG 28 HG2 ARG 28 9.238 3.960 -2.255
177 HG3 ARG 28 HG1 ARG 28 7.588 4.293 -2.784
178 HD2 ARG 28 HD2 ARG 28 9.254 5.346 -4.245
179 HD3 ARG 28 HD1 ARG 28 8.222 6.534 -3.448
180 HE ARG 28 HE ARG 28 10.212 6.646 -1.799
181 HH11 ARG 28 HH11 ARG 28 10.450 6.182 -5.259
182 HH12 ARG 28 HH12 ARG 28 11.997 6.959 -5.382
183 HH21 ARG 28 HH21 ARG 28 12.224 7.691 -1.954
184 HH22 ARG 28 HH22 ARG 28 13.011 7.812 -3.498
185 H VAL 29 HN VAL 29 5.815 5.760 1.289
186 HA VAL 29 HA VAL 29 7.654 5.850 3.559
187 HB VAL 29 HB VAL 29 6.251 7.818 4.308
188 HG11 VAL 29 HG11 VAL 29 7.349 9.349 2.738
189 HG12 VAL 29 HG12 VAL 29 7.702 7.990 1.668
190 HG13 VAL 29 HG13 VAL 29 8.439 8.069 3.269
191 HG21 VAL 29 HG21 VAL 29 4.268 7.360 2.956
192 HG22 VAL 29 HG22 VAL 29 5.210 7.600 1.484
193 HG23 VAL 29 HG23 VAL 29 4.936 8.950 2.586
194 H PHE 30 HN PHE 30 4.246 5.162 2.799
195 HA PHE 30 HA PHE 30 3.946 4.236 5.594
196 HB2 PHE 30 HB2 PHE 30 1.630 4.937 3.800
197 HB3 PHE 30 HB1 PHE 30 1.652 4.792 5.551
198 HD1 PHE 30 HD2 PHE 30 3.620 6.483 6.555
199 HD2 PHE 30 HD1 PHE 30 1.226 7.090 3.086
200 HE1 PHE 30 HE2 PHE 30 3.950 8.910 6.757
201 HE2 PHE 30 HE1 PHE 30 1.560 9.520 3.281
202 HZ PHE 30 HZ PHE 30 2.819 10.443 5.102
203 H HIS 31 HN HIS 31 5.117 2.565 3.751
204 HA HIS 31 HA HIS 31 3.562 1.135 1.998
205 HB2 HIS 31 HB2 HIS 31 6.075 1.078 2.297
206 HB3 HIS 31 HB1 HIS 31 5.809 -0.073 3.599
207 HD1 HIS 31 HD1 HIS 31 4.457 0.098 0.011
208 HD2 HIS 31 HD2 HIS 31 6.363 -2.493 2.646
209 HE1 HIS 31 HE1 HIS 31 4.754 -2.096 -1.226
210 H GLU 32 HN GLU 32 4.169 0.320 5.410
211 HA GLU 32 HA GLU 32 2.865 -2.188 5.297
212 HB2 GLU 32 HB2 GLU 32 3.474 -0.388 7.644
213 HB3 GLU 32 HB1 GLU 32 2.900 -2.046 7.786
214 HG2 GLU 32 HG2 GLU 32 4.885 -2.905 6.820
215 HG3 GLU 32 HG1 GLU 32 5.419 -1.299 6.331
216 H ASP 33 HN ASP 33 1.832 0.969 6.497
217 HA ASP 33 HA ASP 33 -0.798 0.208 7.172
218 HB2 ASP 33 HB2 ASP 33 0.434 2.884 6.565
219 HB3 ASP 33 HB1 ASP 33 -1.265 2.712 6.993
220 H CYS 34 HN CYS 34 0.690 0.950 4.171
221 HA CYS 34 HA CYS 34 -1.738 1.583 2.777
222 HB2 CYS 34 HB2 CYS 34 1.118 1.174 1.980
223 HB3 CYS 34 HB1 CYS 34 -0.141 1.272 0.750
224 H HIS 35 HN HIS 35 -0.494 -1.304 3.888
225 HA HIS 35 HA HIS 35 -1.750 -2.840 1.712
226 HB2 HIS 35 HB2 HIS 35 0.241 -3.612 3.835
227 HB3 HIS 35 HB1 HIS 35 -0.678 -4.823 2.949
228 HD1 HIS 35 HD1 HIS 35 0.007 -5.253 0.483
229 HD2 HIS 35 HD2 HIS 35 2.148 -2.220 2.341
230 HE1 HIS 35 HE1 HIS 35 1.963 -4.733 -1.034
231 H ILE 36 HN ILE 36 -2.716 -1.454 4.460
232 HA ILE 36 HA ILE 36 -4.584 -3.631 5.066
233 HB ILE 36 HB ILE 36 -4.431 -3.070 7.498
234 HG12 ILE 36 HG12 ILE 36 -1.925 -1.620 6.629
235 HG13 ILE 36 HG11 ILE 36 -3.380 -0.864 7.268
236 HG21 ILE 36 HG21 ILE 36 -1.938 -4.152 6.195
237 HG22 ILE 36 HG22 ILE 36 -3.383 -5.067 6.620
238 HG23 ILE 36 HG23 ILE 36 -2.381 -4.365 7.888
239 HD11 ILE 36 HD11 ILE 36 -1.672 -1.002 8.969
240 HD12 ILE 36 HD12 ILE 36 -1.557 -2.747 8.742
241 HD13 ILE 36 HD13 ILE 36 -3.035 -2.037 9.390
242 HA PRO 37 HA PRO 37 -6.165 -3.985 6.367
243 HB2 PRO 37 HB2 PRO 37 -8.979 -3.809 5.776
244 HB3 PRO 37 HB1 PRO 37 -8.203 -3.943 7.357
245 HG2 PRO 37 HG2 PRO 37 -9.558 -1.718 6.481
246 HG3 PRO 37 HG1 PRO 37 -8.299 -1.694 7.729
247 HD2 PRO 37 HD2 PRO 37 -8.108 -0.981 4.826
248 HD3 PRO 37 HD1 PRO 37 -7.344 -0.208 6.232
249 HA PRO 38 HA PRO 38 -6.402 -5.646 2.198
250 HB2 PRO 38 HB2 PRO 38 -6.754 -8.291 3.375
251 HB3 PRO 38 HB1 PRO 38 -5.375 -7.651 2.477
252 HG2 PRO 38 HG2 PRO 38 -5.271 -8.190 5.135
253 HG3 PRO 38 HG1 PRO 38 -4.317 -6.902 4.373
254 HD2 PRO 38 HD2 PRO 38 -6.872 -6.695 5.936
255 HD3 PRO 38 HD1 PRO 38 -5.432 -5.651 5.983
256 H VAL 39 HN VAL 39 -8.712 -4.518 2.819
257 HA VAL 39 HA VAL 39 -10.810 -6.553 2.738
258 HB VAL 39 HB VAL 39 -11.110 -4.857 4.444
259 HG11 VAL 39 HG11 VAL 39 -9.859 -3.025 3.530
260 HG12 VAL 39 HG12 VAL 39 -11.508 -2.491 3.853
261 HG13 VAL 39 HG13 VAL 39 -11.004 -2.851 2.202
262 HG21 VAL 39 HG21 VAL 39 -13.119 -5.745 3.398
263 HG22 VAL 39 HG22 VAL 39 -13.072 -4.460 2.192
264 HG23 VAL 39 HG23 VAL 39 -13.349 -4.067 3.887
265 H GLU 40 HN GLU 40 -11.673 -7.101 0.852
266 HA GLU 40 HA GLU 40 -10.854 -5.669 -1.523
267 HB2 GLU 40 HB2 GLU 40 -11.984 -7.575 -2.709
268 HB3 GLU 40 HB1 GLU 40 -10.684 -8.051 -1.625
269 HG2 GLU 40 HG2 GLU 40 -12.254 -8.755 0.039
270 HG3 GLU 40 HG1 GLU 40 -13.602 -8.131 -0.908
271 H ALA 41 HN ALA 41 -13.049 -4.751 0.450
272 HA ALA 41 HA ALA 41 -15.474 -4.705 -1.033
273 HB1 ALA 41 HB1 ALA 41 -15.432 -4.396 1.396
274 HB2 ALA 41 HB2 ALA 41 -16.228 -3.048 0.586
275 HB3 ALA 41 HB3 ALA 41 -14.580 -2.866 1.187
276 H GLU 42 HN GLU 42 -12.596 -2.811 -1.073
277 HA GLU 42 HA GLU 42 -13.752 -1.151 -3.208
278 HB2 GLU 42 HB2 GLU 42 -11.872 -0.201 -1.031
279 HB3 GLU 42 HB1 GLU 42 -12.364 0.751 -2.424
280 HG2 GLU 42 HG2 GLU 42 -14.697 0.619 -1.662
281 HG3 GLU 42 HG1 GLU 42 -14.161 -0.275 -0.241
282 H ARG 43 HN ARG 43 -12.483 -3.486 -3.717
283 HA ARG 43 HA ARG 43 -9.651 -3.254 -3.976
284 HB2 ARG 43 HB2 ARG 43 -10.803 -5.425 -3.733
285 HB3 ARG 43 HB1 ARG 43 -11.557 -5.190 -5.303
286 HG2 ARG 43 HG2 ARG 43 -9.287 -5.135 -6.315
287 HG3 ARG 43 HG1 ARG 43 -8.628 -5.554 -4.731
288 HD2 ARG 43 HD2 ARG 43 -10.021 -7.595 -4.733
289 HD3 ARG 43 HD1 ARG 43 -10.571 -7.186 -6.357
290 HE ARG 43 HE ARG 43 -7.701 -7.333 -6.086
291 HH11 ARG 43 HH11 ARG 43 -10.629 -9.155 -6.731
292 HH12 ARG 43 HH12 ARG 43 -9.803 -10.421 -7.582
293 HH21 ARG 43 HH21 ARG 43 -6.621 -8.976 -7.211
294 HH22 ARG 43 HH22 ARG 43 -7.508 -10.321 -7.854
295 H THR 44 HN THR 44 -12.330 -2.315 -5.922
296 HA THR 44 HA THR 44 -10.484 -1.742 -8.139
297 HB THR 44 HB THR 44 -12.199 -3.456 -8.718
298 HG1 THR 44 HG1 THR 44 -13.096 -1.470 -10.341
299 HG21 THR 44 HG21 THR 44 -14.159 -1.197 -8.289
300 HG22 THR 44 HG22 THR 44 -14.040 -2.662 -7.319
301 HG23 THR 44 HG23 THR 44 -14.539 -2.761 -9.006
302 HA PRO 45 HA PRO 45 -10.598 -0.688 -9.965
303 HB2 PRO 45 HB2 PRO 45 -9.462 1.495 -11.038
304 HB3 PRO 45 HB1 PRO 45 -11.175 1.120 -11.290
305 HG2 PRO 45 HG2 PRO 45 -9.910 3.090 -9.425
306 HG3 PRO 45 HG1 PRO 45 -11.392 3.253 -10.393
307 HD2 PRO 45 HD2 PRO 45 -11.312 2.619 -7.694
308 HD3 PRO 45 HD1 PRO 45 -12.671 2.261 -8.777
309 H TRP 46 HN TRP 46 -9.424 1.289 -7.393
310 HA TRP 46 HA TRP 46 -7.019 -0.149 -7.075
311 HB2 TRP 46 HB2 TRP 46 -6.168 1.025 -8.983
312 HB3 TRP 46 HB1 TRP 46 -6.839 2.551 -8.427
313 HD1 TRP 46 HD1 TRP 46 -4.219 0.020 -7.035
314 HE1 TRP 46 HE1 TRP 46 -2.254 1.383 -6.088
315 HE3 TRP 46 HE3 TRP 46 -6.000 4.720 -7.946
316 HZ2 TRP 46 HZ2 TRP 46 -1.559 4.112 -5.772
317 HZ3 TRP 46 HZ3 TRP 46 -4.629 6.651 -7.295
318 HH2 TRP 46 HH2 TRP 46 -2.457 6.354 -6.233
319 H ASN 47 HN ASN 47 -7.642 3.322 -6.683
320 HA ASN 47 HA ASN 47 -8.176 4.620 -4.912
321 HB2 ASN 47 HB2 ASN 47 -8.889 1.989 -3.606
322 HB3 ASN 47 HB1 ASN 47 -9.207 3.568 -2.892
323 HD21 ASN 47 HD21 ASN 47 -10.990 1.375 -3.815
324 HD22 ASN 47 HD22 ASN 47 -12.106 2.145 -4.895
325 H CYS 48 HN CYS 48 -6.595 5.691 -3.943
326 HA CYS 48 HA CYS 48 -4.657 4.213 -2.307
327 HB2 CYS 48 HB2 CYS 48 -3.646 5.705 -3.939
328 HB3 CYS 48 HB1 CYS 48 -4.609 7.052 -3.352
329 H ILE 49 HN ILE 49 -5.213 4.019 -0.260
330 HA ILE 49 HA ILE 49 -7.375 5.433 0.870
331 HB ILE 49 HB ILE 49 -6.731 4.360 3.024
332 HG12 ILE 49 HG12 ILE 49 -4.478 3.173 1.379
333 HG13 ILE 49 HG11 ILE 49 -4.297 4.316 2.705
334 HG21 ILE 49 HG21 ILE 49 -6.917 2.590 0.590
335 HG22 ILE 49 HG22 ILE 49 -8.251 3.232 1.543
336 HG23 ILE 49 HG23 ILE 49 -7.158 2.044 2.246
337 HD11 ILE 49 HD11 ILE 49 -5.276 2.639 4.225
338 HD12 ILE 49 HD12 ILE 49 -3.776 2.107 3.469
339 HD13 ILE 49 HD13 ILE 49 -5.322 1.495 2.882
340 H PHE 50 HN PHE 50 -3.899 5.940 1.076
341 HA PHE 50 HA PHE 50 -4.130 7.859 3.182
342 HB2 PHE 50 HB2 PHE 50 -1.903 6.854 1.495
343 HB3 PHE 50 HB1 PHE 50 -1.700 8.438 2.247
344 HD1 PHE 50 HD2 PHE 50 -2.162 4.843 2.883
345 HD2 PHE 50 HD1 PHE 50 -1.481 8.673 4.623
346 HE1 PHE 50 HE2 PHE 50 -1.603 3.772 5.023
347 HE2 PHE 50 HE1 PHE 50 -0.922 7.604 6.763
348 HZ PHE 50 HZ PHE 50 -0.984 5.154 6.967
349 H CYS 51 HN CYS 51 -4.190 8.065 -0.318
350 HA CYS 51 HA CYS 51 -3.869 10.896 -0.394
351 HB2 CYS 51 HB2 CYS 51 -4.693 8.823 -2.360
352 HB3 CYS 51 HB1 CYS 51 -5.176 10.483 -2.689
353 H ARG 52 HN ARG 52 -6.551 8.792 0.228
354 HA ARG 52 HA ARG 52 -8.623 10.697 -0.163
355 HB2 ARG 52 HB2 ARG 52 -8.493 8.166 1.473
356 HB3 ARG 52 HB1 ARG 52 -9.952 9.132 1.306
357 HG2 ARG 52 HG2 ARG 52 -9.919 8.770 -1.110
358 HG3 ARG 52 HG1 ARG 52 -8.451 7.804 -0.945
359 HD2 ARG 52 HD2 ARG 52 -9.592 6.128 0.284
360 HD3 ARG 52 HD1 ARG 52 -11.015 7.149 0.486
361 HE ARG 52 HE ARG 52 -10.559 6.769 -2.258
362 HH11 ARG 52 HH11 ARG 52 -11.476 4.901 0.554
363 HH12 ARG 52 HH12 ARG 52 -12.532 3.837 -0.334
364 HH21 ARG 52 HH21 ARG 52 -11.925 5.360 -3.435
365 HH22 ARG 52 HH22 ARG 52 -12.781 4.102 -2.602
366 H MET 53 HN MET 53 -6.210 10.425 2.155
367 HA MET 53 HA MET 53 -7.546 12.469 3.774
368 HB2 MET 53 HB2 MET 53 -6.368 11.490 5.798
369 HB3 MET 53 HB1 MET 53 -7.720 10.557 5.176
370 HG2 MET 53 HG2 MET 53 -6.152 9.055 4.045
371 HG3 MET 53 HG1 MET 53 -4.804 9.986 4.696
372 HE1 MET 53 HE1 MET 53 -5.393 6.772 5.010
373 HE2 MET 53 HE2 MET 53 -4.863 6.525 6.675
374 HE3 MET 53 HE3 MET 53 -3.914 7.539 5.589
375 H LYS 54 HN LYS 54 -6.039 13.209 1.775
376 HA LYS 54 HA LYS 54 -3.794 14.500 3.005
377 HB2 LYS 54 HB2 LYS 54 -2.857 12.264 2.369
378 HB3 LYS 54 HB1 LYS 54 -3.257 12.621 0.696
379 HG2 LYS 54 HG2 LYS 54 -0.910 13.032 1.107
380 HG3 LYS 54 HG1 LYS 54 -1.741 14.546 0.746
381 HD2 LYS 54 HD2 LYS 54 -0.164 14.808 2.604
382 HD3 LYS 54 HD1 LYS 54 -1.827 15.085 3.120
383 HE2 LYS 54 HE2 LYS 54 -1.921 12.811 4.029
384 HE3 LYS 54 HE1 LYS 54 -0.255 12.539 3.517
385 HZ1 LYS 54 HZ1 LYS 54 -0.428 13.121 5.868
386 HZ2 LYS 54 HZ2 LYS 54 -1.129 14.605 5.464
387 HZ3 LYS 54 HZ3 LYS 54 0.465 14.272 5.011
388 H GLU 55 HN GLU 55 -5.034 13.550 -0.182
389 HA GLU 55 HA GLU 55 -4.846 16.360 -1.026
390 HB2 GLU 55 HB2 GLU 55 -4.861 13.810 -2.647
391 HB3 GLU 55 HB1 GLU 55 -4.976 15.412 -3.356
392 HG2 GLU 55 HG2 GLU 55 -2.668 14.364 -1.728
393 HG3 GLU 55 HG1 GLU 55 -2.710 14.541 -3.481
394 H SER 56 HN SER 56 -6.740 17.365 -0.836
395 HA SER 56 HA SER 56 -9.207 15.827 -1.033
396 HB2 SER 56 HB2 SER 56 -8.804 18.717 -0.222
397 HB3 SER 56 HB1 SER 56 -10.289 17.780 -0.055
398 HG SER 56 HG SER 56 -8.671 18.018 1.814
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 15.250 3.694 5.173
2 H2 GLY 1 HT2 GLY 1 13.636 3.257 5.425
3 H3 GLY 1 HT3 GLY 1 14.007 4.628 4.509
4 HA2 GLY 1 HA1 GLY 1 15.071 3.240 2.830
5 HA3 GLY 1 HA2 GLY 1 14.624 1.824 3.773
6 H ALA 2 HN ALA 2 13.524 1.150 1.811
7 HA ALA 2 HA ALA 2 11.642 0.725 0.618
8 HB1 ALA 2 HB1 ALA 2 10.245 2.183 2.859
9 HB2 ALA 2 HB2 ALA 2 10.645 0.466 2.841
10 HB3 ALA 2 HB3 ALA 2 9.485 1.113 1.680
11 H MET 3 HN MET 3 13.122 3.246 0.151
12 HA MET 3 HA MET 3 10.942 4.836 -1.039
13 HB2 MET 3 HB2 MET 3 13.728 5.673 -0.216
14 HB3 MET 3 HB1 MET 3 12.621 6.694 -1.122
15 HG2 MET 3 HG2 MET 3 11.051 6.692 0.715
16 HG3 MET 3 HG1 MET 3 12.068 5.569 1.615
17 HE1 MET 3 HE1 MET 3 13.304 9.909 0.629
18 HE2 MET 3 HE2 MET 3 11.770 9.195 0.135
19 HE3 MET 3 HE3 MET 3 13.277 8.623 -0.575
20 H GLY 4 HN GLY 4 14.398 4.184 -1.637
21 HA2 GLY 4 HA2 GLY 4 13.811 4.085 -4.518
22 HA3 GLY 4 HA1 GLY 4 15.407 4.277 -3.802
23 H MET 5 HN MET 5 13.379 1.993 -2.333
24 HA MET 5 HA MET 5 14.552 -0.243 -3.811
25 HB2 MET 5 HB2 MET 5 16.009 0.174 -1.883
26 HB3 MET 5 HB1 MET 5 14.625 0.098 -0.804
27 HG2 MET 5 HG2 MET 5 14.289 -2.252 -1.436
28 HG3 MET 5 HG1 MET 5 15.720 -2.162 -2.461
29 HE1 MET 5 HE1 MET 5 16.943 -4.370 0.519
30 HE2 MET 5 HE2 MET 5 16.872 -4.218 -1.236
31 HE3 MET 5 HE3 MET 5 15.383 -4.377 -0.302
32 H ARG 6 HN ARG 6 12.826 -1.318 -4.531
33 HA ARG 6 HA ARG 6 10.362 -1.319 -2.990
34 HB2 ARG 6 HB2 ARG 6 11.083 -2.161 -5.776
35 HB3 ARG 6 HB1 ARG 6 9.576 -2.695 -5.051
36 HG2 ARG 6 HG2 ARG 6 10.359 0.198 -5.244
37 HG3 ARG 6 HG1 ARG 6 9.446 -0.643 -6.497
38 HD2 ARG 6 HD2 ARG 6 8.614 -0.304 -3.613
39 HD3 ARG 6 HD1 ARG 6 7.961 0.576 -4.993
40 HE ARG 6 HE ARG 6 7.749 -2.334 -5.043
41 HH11 ARG 6 HH11 ARG 6 6.174 0.743 -4.472
42 HH12 ARG 6 HH12 ARG 6 4.572 0.099 -4.651
43 HH21 ARG 6 HH21 ARG 6 5.641 -3.184 -5.274
44 HH22 ARG 6 HH22 ARG 6 4.267 -2.136 -5.103
45 H ASN 7 HN ASN 7 13.062 -3.354 -3.463
46 HA ASN 7 HA ASN 7 11.752 -5.831 -2.875
47 HB2 ASN 7 HB2 ASN 7 13.906 -5.860 -4.021
48 HB3 ASN 7 HB1 ASN 7 14.671 -5.053 -2.655
49 HD21 ASN 7 HD21 ASN 7 13.207 -8.041 -3.760
50 HD22 ASN 7 HD22 ASN 7 13.904 -9.049 -2.541
51 H LEU 8 HN LEU 8 10.530 -5.626 -1.067
52 HA LEU 8 HA LEU 8 11.954 -4.947 1.407
53 HB2 LEU 8 HB2 LEU 8 9.016 -4.685 0.784
54 HB3 LEU 8 HB1 LEU 8 9.774 -4.265 2.309
55 HG LEU 8 HG LEU 8 10.336 -2.936 -0.345
56 HD11 LEU 8 HD11 LEU 8 9.195 -1.012 0.590
57 HD12 LEU 8 HD12 LEU 8 8.829 -1.924 2.055
58 HD13 LEU 8 HD13 LEU 8 8.119 -2.408 0.514
59 HD21 LEU 8 HD21 LEU 8 11.585 -1.305 1.005
60 HD22 LEU 8 HD22 LEU 8 12.295 -2.916 1.073
61 HD23 LEU 8 HD23 LEU 8 11.341 -2.316 2.429
62 H ASP 9 HN ASP 9 11.736 -6.240 3.173
63 HA ASP 9 HA ASP 9 10.671 -8.923 2.596
64 HB2 ASP 9 HB2 ASP 9 13.072 -8.112 4.229
65 HB3 ASP 9 HB1 ASP 9 12.403 -9.740 4.232
66 H GLU 10 HN GLU 10 10.336 -6.215 4.562
67 HA GLU 10 HA GLU 10 9.385 -7.665 6.881
68 HB2 GLU 10 HB2 GLU 10 9.319 -4.708 6.267
69 HB3 GLU 10 HB1 GLU 10 8.902 -5.440 7.811
70 HG2 GLU 10 HG2 GLU 10 11.213 -6.309 7.966
71 HG3 GLU 10 HG1 GLU 10 11.604 -5.435 6.487
72 H CYS 11 HN CYS 11 8.177 -6.876 3.915
73 HA CYS 11 HA CYS 11 5.426 -6.641 4.903
74 HB2 CYS 11 HB2 CYS 11 6.221 -4.862 3.342
75 HB3 CYS 11 HB1 CYS 11 6.426 -6.097 2.110
76 H GLU 12 HN GLU 12 5.020 -8.758 5.320
77 HA GLU 12 HA GLU 12 5.748 -10.886 3.603
78 HB2 GLU 12 HB2 GLU 12 3.651 -10.802 5.766
79 HB3 GLU 12 HB1 GLU 12 4.305 -12.259 5.029
80 HG2 GLU 12 HG2 GLU 12 6.537 -11.647 5.858
81 HG3 GLU 12 HG1 GLU 12 5.833 -10.241 6.654
82 H VAL 13 HN VAL 13 3.012 -8.773 3.756
83 HA VAL 13 HA VAL 13 1.276 -10.377 2.206
84 HB VAL 13 HB VAL 13 0.260 -8.702 3.539
85 HG11 VAL 13 HG11 VAL 13 1.790 -6.633 1.992
86 HG12 VAL 13 HG12 VAL 13 2.126 -7.139 3.646
87 HG13 VAL 13 HG13 VAL 13 0.609 -6.331 3.262
88 HG21 VAL 13 HG21 VAL 13 -1.116 -7.488 1.936
89 HG22 VAL 13 HG22 VAL 13 -0.865 -9.157 1.422
90 HG23 VAL 13 HG23 VAL 13 0.043 -7.852 0.658
91 H CYS 14 HN CYS 14 3.601 -7.817 1.306
92 HA CYS 14 HA CYS 14 3.009 -7.905 -1.464
93 HB2 CYS 14 HB2 CYS 14 5.308 -6.944 0.154
94 HB3 CYS 14 HB1 CYS 14 5.595 -7.249 -1.554
95 H ARG 15 HN ARG 15 5.076 -9.780 0.611
96 HA ARG 15 HA ARG 15 6.419 -11.238 -1.400
97 HB2 ARG 15 HB2 ARG 15 7.183 -11.063 0.947
98 HB3 ARG 15 HB1 ARG 15 5.817 -12.050 1.444
99 HG2 ARG 15 HG2 ARG 15 6.672 -13.913 0.142
100 HG3 ARG 15 HG1 ARG 15 8.037 -12.930 -0.389
101 HD2 ARG 15 HD2 ARG 15 8.711 -12.667 1.978
102 HD3 ARG 15 HD1 ARG 15 7.401 -13.753 2.440
103 HE ARG 15 HE ARG 15 9.081 -14.959 0.490
104 HH11 ARG 15 HH11 ARG 15 8.951 -14.140 3.892
105 HH12 ARG 15 HH12 ARG 15 10.001 -15.434 4.369
106 HH21 ARG 15 HH21 ARG 15 10.467 -16.652 1.109
107 HH22 ARG 15 HH22 ARG 15 10.871 -16.863 2.782
108 H ASP 16 HN ASP 16 3.449 -11.769 0.395
109 HA ASP 16 HA ASP 16 2.782 -14.231 -0.854
110 HB2 ASP 16 HB2 ASP 16 1.848 -13.603 1.304
111 HB3 ASP 16 HB1 ASP 16 1.063 -12.203 0.588
112 H GLY 17 HN GLY 17 2.698 -11.030 -1.967
113 HA2 GLY 17 HA2 GLY 17 2.254 -10.454 -4.214
114 HA3 GLY 17 HA1 GLY 17 1.257 -11.895 -4.362
115 H GLY 18 HN GLY 18 0.663 -10.129 -1.548
116 HA2 GLY 18 HA2 GLY 18 -2.005 -9.540 -2.183
117 HA3 GLY 18 HA1 GLY 18 -1.113 -8.872 -0.830
118 H GLU 19 HN GLU 19 -3.054 -7.467 -2.225
119 HA GLU 19 HA GLU 19 -1.898 -5.794 -4.236
120 HB2 GLU 19 HB2 GLU 19 -4.486 -5.593 -2.693
121 HB3 GLU 19 HB1 GLU 19 -4.045 -4.526 -4.019
122 HG2 GLU 19 HG2 GLU 19 -3.958 -6.427 -5.534
123 HG3 GLU 19 HG1 GLU 19 -4.367 -7.511 -4.207
124 H LEU 20 HN LEU 20 -1.585 -3.539 -4.113
125 HA LEU 20 HA LEU 20 -0.939 -2.557 -1.412
126 HB2 LEU 20 HB2 LEU 20 0.974 -3.082 -3.024
127 HB3 LEU 20 HB1 LEU 20 0.408 -1.729 -3.980
128 HG LEU 20 HG LEU 20 1.155 -1.366 -1.088
129 HD11 LEU 20 HD11 LEU 20 3.404 -0.753 -1.811
130 HD12 LEU 20 HD12 LEU 20 3.011 -1.220 -3.465
131 HD13 LEU 20 HD13 LEU 20 3.058 -2.439 -2.194
132 HD21 LEU 20 HD21 LEU 20 -0.061 0.451 -2.219
133 HD22 LEU 20 HD22 LEU 20 1.191 0.504 -3.461
134 HD23 LEU 20 HD23 LEU 20 1.585 0.922 -1.795
135 H PHE 21 HN PHE 21 -2.107 -0.831 -0.810
136 HA PHE 21 HA PHE 21 -3.726 0.457 -2.900
137 HB2 PHE 21 HB2 PHE 21 -4.237 0.156 0.071
138 HB3 PHE 21 HB1 PHE 21 -5.289 1.027 -1.045
139 HD1 PHE 21 HD2 PHE 21 -6.014 -0.390 -3.180
140 HD2 PHE 21 HD1 PHE 21 -4.743 -2.037 0.539
141 HE1 PHE 21 HE2 PHE 21 -7.191 -2.486 -3.706
142 HE2 PHE 21 HE1 PHE 21 -5.917 -4.134 0.014
143 HZ PHE 21 HZ PHE 21 -7.121 -4.359 -2.154
144 H CYS 22 HN CYS 22 -1.478 1.611 -3.085
145 HA CYS 22 HA CYS 22 -1.874 4.266 -2.017
146 HB2 CYS 22 HB2 CYS 22 0.279 2.476 -1.039
147 HB3 CYS 22 HB1 CYS 22 0.742 4.135 -1.406
148 H CYS 23 HN CYS 23 -0.676 5.862 -3.135
149 HA CYS 23 HA CYS 23 0.204 5.269 -5.768
150 HB2 CYS 23 HB2 CYS 23 1.004 7.736 -4.214
151 HB3 CYS 23 HB1 CYS 23 0.730 7.583 -5.950
152 H ASP 24 HN ASP 24 2.522 5.874 -6.490
153 HA ASP 24 HA ASP 24 4.312 4.095 -5.316
154 HB2 ASP 24 HB2 ASP 24 4.582 4.908 -7.608
155 HB3 ASP 24 HB1 ASP 24 4.940 6.525 -7.008
156 H THR 25 HN THR 25 4.213 7.633 -4.977
157 HA THR 25 HA THR 25 6.348 7.793 -3.136
158 HB THR 25 HB THR 25 4.081 9.737 -3.594
159 HG1 THR 25 HG1 THR 25 5.128 10.116 -5.392
160 HG21 THR 25 HG21 THR 25 5.215 10.165 -1.469
161 HG22 THR 25 HG22 THR 25 5.603 11.418 -2.648
162 HG23 THR 25 HG23 THR 25 6.775 10.151 -2.290
163 H CYS 26 HN CYS 26 2.829 7.660 -2.661
164 HA CYS 26 HA CYS 26 2.816 7.944 0.123
165 HB2 CYS 26 HB2 CYS 26 0.873 6.396 -1.606
166 HB3 CYS 26 HB1 CYS 26 0.567 6.958 0.034
167 H SER 27 HN SER 27 3.289 5.124 -1.911
168 HA SER 27 HA SER 27 3.180 3.222 0.209
169 HB2 SER 27 HB2 SER 27 2.827 2.683 -2.217
170 HB3 SER 27 HB1 SER 27 4.556 2.920 -2.469
171 HG SER 27 HG SER 27 3.374 1.032 -0.703
172 H ARG 28 HN ARG 28 5.690 5.239 -1.150
173 HA ARG 28 HA ARG 28 7.919 3.829 -0.149
174 HB2 ARG 28 HB2 ARG 28 7.565 6.743 -0.821
175 HB3 ARG 28 HB1 ARG 28 9.110 6.022 -0.402
176 HG2 ARG 28 HG2 ARG 28 8.945 4.551 -2.348
177 HG3 ARG 28 HG1 ARG 28 7.398 5.293 -2.770
178 HD2 ARG 28 HD2 ARG 28 8.576 7.492 -2.873
179 HD3 ARG 28 HD1 ARG 28 10.095 6.629 -2.653
180 HE ARG 28 HE ARG 28 8.355 5.926 -4.913
181 HH11 ARG 28 HH11 ARG 28 11.335 7.339 -3.729
182 HH12 ARG 28 HH12 ARG 28 12.098 7.334 -5.284
183 HH21 ARG 28 HH21 ARG 28 9.340 5.946 -6.943
184 HH22 ARG 28 HH22 ARG 28 10.963 6.540 -7.120
185 H VAL 29 HN VAL 29 5.825 6.263 1.245
186 HA VAL 29 HA VAL 29 7.579 6.592 3.526
187 HB VAL 29 HB VAL 29 5.854 8.272 4.279
188 HG11 VAL 29 HG11 VAL 29 6.546 9.941 2.602
189 HG12 VAL 29 HG12 VAL 29 7.159 8.636 1.584
190 HG13 VAL 29 HG13 VAL 29 7.891 8.945 3.159
191 HG21 VAL 29 HG21 VAL 29 4.760 7.804 1.507
192 HG22 VAL 29 HG22 VAL 29 4.255 9.068 2.629
193 HG23 VAL 29 HG23 VAL 29 3.953 7.373 3.015
194 H PHE 30 HN PHE 30 4.375 5.211 2.864
195 HA PHE 30 HA PHE 30 4.446 4.101 5.595
196 HB2 PHE 30 HB2 PHE 30 1.948 5.147 4.244
197 HB3 PHE 30 HB1 PHE 30 2.055 4.457 5.857
198 HD1 PHE 30 HD2 PHE 30 3.871 5.704 7.405
199 HD2 PHE 30 HD1 PHE 30 1.813 7.438 4.101
200 HE1 PHE 30 HE2 PHE 30 4.266 7.949 8.334
201 HE2 PHE 30 HE1 PHE 30 2.209 9.680 5.027
202 HZ PHE 30 HZ PHE 30 3.394 9.933 7.164
203 H HIS 31 HN HIS 31 5.388 2.621 3.583
204 HA HIS 31 HA HIS 31 3.736 1.261 1.867
205 HB2 HIS 31 HB2 HIS 31 6.196 1.126 1.883
206 HB3 HIS 31 HB1 HIS 31 6.128 0.152 3.341
207 HD1 HIS 31 HD1 HIS 31 5.168 -0.069 -0.346
208 HD2 HIS 31 HD2 HIS 31 5.925 -2.491 2.946
209 HE1 HIS 31 HE1 HIS 31 5.255 -2.453 -1.210
210 H GLU 32 HN GLU 32 4.539 0.278 5.193
211 HA GLU 32 HA GLU 32 3.130 -2.165 5.098
212 HB2 GLU 32 HB2 GLU 32 4.238 -0.450 7.269
213 HB3 GLU 32 HB1 GLU 32 3.152 -1.765 7.699
214 HG2 GLU 32 HG2 GLU 32 5.546 -2.209 5.958
215 HG3 GLU 32 HG1 GLU 32 5.653 -2.238 7.716
216 H ASP 33 HN ASP 33 2.227 1.031 6.250
217 HA ASP 33 HA ASP 33 -0.345 0.327 7.200
218 HB2 ASP 33 HB2 ASP 33 0.723 2.990 6.257
219 HB3 ASP 33 HB1 ASP 33 -0.808 2.766 7.096
220 H CYS 34 HN CYS 34 0.931 0.967 4.076
221 HA CYS 34 HA CYS 34 -1.530 1.652 2.795
222 HB2 CYS 34 HB2 CYS 34 1.204 0.886 1.789
223 HB3 CYS 34 HB1 CYS 34 -0.140 1.215 0.696
224 H HIS 35 HN HIS 35 -0.387 -1.249 3.981
225 HA HIS 35 HA HIS 35 -2.045 -2.785 2.087
226 HB2 HIS 35 HB2 HIS 35 0.077 -3.753 4.019
227 HB3 HIS 35 HB1 HIS 35 -0.894 -4.793 2.984
228 HD1 HIS 35 HD1 HIS 35 -0.208 -4.930 0.471
229 HD2 HIS 35 HD2 HIS 35 2.065 -2.281 2.728
230 HE1 HIS 35 HE1 HIS 35 1.822 -4.353 -0.929
231 H ILE 36 HN ILE 36 -2.477 -1.153 4.771
232 HA ILE 36 HA ILE 36 -4.119 -3.212 6.091
233 HB ILE 36 HB ILE 36 -2.566 -0.980 7.419
234 HG12 ILE 36 HG12 ILE 36 -2.189 -3.980 7.539
235 HG13 ILE 36 HG11 ILE 36 -1.157 -2.857 6.661
236 HG21 ILE 36 HG21 ILE 36 -3.320 -1.946 9.531
237 HG22 ILE 36 HG22 ILE 36 -4.294 -3.122 8.649
238 HG23 ILE 36 HG23 ILE 36 -4.682 -1.404 8.551
239 HD11 ILE 36 HD11 ILE 36 -1.552 -2.931 9.642
240 HD12 ILE 36 HD12 ILE 36 -0.519 -1.802 8.767
241 HD13 ILE 36 HD13 ILE 36 -0.145 -3.524 8.760
242 HA PRO 37 HA PRO 37 -5.654 -3.549 7.119
243 HB2 PRO 37 HB2 PRO 37 -8.335 -3.867 7.176
244 HB3 PRO 37 HB1 PRO 37 -7.464 -2.966 8.425
245 HG2 PRO 37 HG2 PRO 37 -9.188 -1.977 6.241
246 HG3 PRO 37 HG1 PRO 37 -8.809 -1.236 7.803
247 HD2 PRO 37 HD2 PRO 37 -7.666 -0.624 5.261
248 HD3 PRO 37 HD1 PRO 37 -7.211 0.040 6.841
249 HA PRO 38 HA PRO 38 -6.149 -5.610 3.196
250 HB2 PRO 38 HB2 PRO 38 -6.061 -8.170 4.074
251 HB3 PRO 38 HB1 PRO 38 -4.624 -7.144 3.987
252 HG2 PRO 38 HG2 PRO 38 -6.330 -7.825 6.352
253 HG3 PRO 38 HG1 PRO 38 -4.561 -7.725 6.237
254 HD2 PRO 38 HD2 PRO 38 -6.098 -5.732 7.290
255 HD3 PRO 38 HD1 PRO 38 -4.552 -5.432 6.469
256 H VAL 39 HN VAL 39 -8.430 -4.636 3.418
257 HA VAL 39 HA VAL 39 -10.518 -6.443 4.246
258 HB VAL 39 HB VAL 39 -12.049 -4.676 3.402
259 HG11 VAL 39 HG11 VAL 39 -11.400 -2.962 5.054
260 HG12 VAL 39 HG12 VAL 39 -9.830 -3.751 5.221
261 HG13 VAL 39 HG13 VAL 39 -11.300 -4.600 5.699
262 HG21 VAL 39 HG21 VAL 39 -9.499 -3.208 2.732
263 HG22 VAL 39 HG22 VAL 39 -11.131 -2.545 2.647
264 HG23 VAL 39 HG23 VAL 39 -10.653 -3.853 1.564
265 H GLU 40 HN GLU 40 -12.460 -5.968 2.303
266 HA GLU 40 HA GLU 40 -12.133 -7.984 0.465
267 HB2 GLU 40 HB2 GLU 40 -14.012 -6.934 -0.777
268 HB3 GLU 40 HB1 GLU 40 -14.309 -7.033 0.953
269 HG2 GLU 40 HG2 GLU 40 -13.749 -4.695 1.214
270 HG3 GLU 40 HG1 GLU 40 -13.358 -4.579 -0.500
271 H ALA 41 HN ALA 41 -11.619 -8.077 -1.734
272 HA ALA 41 HA ALA 41 -9.685 -6.039 -2.562
273 HB1 ALA 41 HB1 ALA 41 -8.958 -8.392 -2.496
274 HB2 ALA 41 HB2 ALA 41 -8.855 -7.700 -4.114
275 HB3 ALA 41 HB3 ALA 41 -10.181 -8.786 -3.704
276 H GLU 42 HN GLU 42 -12.733 -5.998 -2.767
277 HA GLU 42 HA GLU 42 -13.160 -6.014 -5.633
278 HB2 GLU 42 HB2 GLU 42 -15.032 -5.437 -3.330
279 HB3 GLU 42 HB1 GLU 42 -15.512 -5.377 -5.018
280 HG2 GLU 42 HG2 GLU 42 -16.198 -7.476 -4.429
281 HG3 GLU 42 HG1 GLU 42 -14.600 -7.812 -5.086
282 H ARG 43 HN ARG 43 -11.445 -3.970 -4.139
283 HA ARG 43 HA ARG 43 -12.724 -1.463 -4.625
284 HB2 ARG 43 HB2 ARG 43 -9.803 -2.164 -4.232
285 HB3 ARG 43 HB1 ARG 43 -10.399 -0.518 -4.407
286 HG2 ARG 43 HG2 ARG 43 -11.831 -0.856 -2.430
287 HG3 ARG 43 HG1 ARG 43 -11.136 -2.462 -2.231
288 HD2 ARG 43 HD2 ARG 43 -9.038 -1.607 -1.652
289 HD3 ARG 43 HD1 ARG 43 -9.407 -0.013 -2.314
290 HE ARG 43 HE ARG 43 -11.216 -0.124 -0.403
291 HH11 ARG 43 HH11 ARG 43 -7.841 -1.064 -0.234
292 HH12 ARG 43 HH12 ARG 43 -7.700 -0.692 1.451
293 HH21 ARG 43 HH21 ARG 43 -11.042 0.336 1.788
294 HH22 ARG 43 HH22 ARG 43 -9.527 0.122 2.615
295 H THR 44 HN THR 44 -10.183 -3.256 -6.317
296 HA THR 44 HA THR 44 -9.658 -3.527 -8.478
297 HB THR 44 HB THR 44 -11.552 -3.630 -10.108
298 HG1 THR 44 HG1 THR 44 -12.754 -2.069 -8.426
299 HG21 THR 44 HG21 THR 44 -12.633 -5.560 -9.042
300 HG22 THR 44 HG22 THR 44 -11.936 -5.092 -7.493
301 HG23 THR 44 HG23 THR 44 -10.885 -5.594 -8.816
302 HA PRO 45 HA PRO 45 -8.144 -3.263 -9.199
303 HB2 PRO 45 HB2 PRO 45 -6.126 -2.397 -10.689
304 HB3 PRO 45 HB1 PRO 45 -7.622 -2.964 -11.447
305 HG2 PRO 45 HG2 PRO 45 -6.594 -0.193 -11.141
306 HG3 PRO 45 HG1 PRO 45 -7.665 -0.870 -12.387
307 HD2 PRO 45 HD2 PRO 45 -8.404 0.603 -10.028
308 HD3 PRO 45 HD1 PRO 45 -9.477 -0.092 -11.259
309 H TRP 46 HN TRP 46 -7.972 -0.029 -8.235
310 HA TRP 46 HA TRP 46 -5.890 -0.430 -6.318
311 HB2 TRP 46 HB2 TRP 46 -4.462 -0.212 -8.269
312 HB3 TRP 46 HB1 TRP 46 -5.348 1.205 -8.811
313 HD1 TRP 46 HD1 TRP 46 -2.651 0.126 -6.337
314 HE1 TRP 46 HE1 TRP 46 -1.459 2.231 -5.449
315 HE3 TRP 46 HE3 TRP 46 -5.723 3.699 -8.329
316 HZ2 TRP 46 HZ2 TRP 46 -1.794 5.034 -5.574
317 HZ3 TRP 46 HZ3 TRP 46 -5.216 6.067 -7.899
318 HH2 TRP 46 HH2 TRP 46 -3.292 6.718 -6.549
319 H ASN 47 HN ASN 47 -5.996 1.107 -4.732
320 HA ASN 47 HA ASN 47 -7.130 3.709 -5.220
321 HB2 ASN 47 HB2 ASN 47 -9.176 2.402 -4.827
322 HB3 ASN 47 HB1 ASN 47 -8.503 1.782 -3.322
323 HD21 ASN 47 HD21 ASN 47 -9.843 4.554 -4.938
324 HD22 ASN 47 HD22 ASN 47 -10.142 5.486 -3.513
325 H CYS 48 HN CYS 48 -5.922 5.086 -4.073
326 HA CYS 48 HA CYS 48 -4.185 4.055 -1.995
327 HB2 CYS 48 HB2 CYS 48 -3.269 5.628 -3.624
328 HB3 CYS 48 HB1 CYS 48 -4.462 6.832 -3.162
329 H ILE 49 HN ILE 49 -5.080 3.754 -0.082
330 HA ILE 49 HA ILE 49 -7.417 4.980 0.842
331 HB ILE 49 HB ILE 49 -6.747 4.122 3.108
332 HG12 ILE 49 HG12 ILE 49 -4.346 3.072 1.583
333 HG13 ILE 49 HG11 ILE 49 -4.311 4.294 2.848
334 HG21 ILE 49 HG21 ILE 49 -6.716 2.235 0.760
335 HG22 ILE 49 HG22 ILE 49 -8.117 2.774 1.684
336 HG23 ILE 49 HG23 ILE 49 -6.910 1.730 2.436
337 HD11 ILE 49 HD11 ILE 49 -3.604 2.166 3.719
338 HD12 ILE 49 HD12 ILE 49 -5.100 1.411 3.168
339 HD13 ILE 49 HD13 ILE 49 -5.143 2.626 4.447
340 H PHE 50 HN PHE 50 -4.061 5.932 1.186
341 HA PHE 50 HA PHE 50 -4.538 7.863 3.224
342 HB2 PHE 50 HB2 PHE 50 -2.235 7.311 1.376
343 HB3 PHE 50 HB1 PHE 50 -2.247 8.754 2.386
344 HD1 PHE 50 HD2 PHE 50 -2.108 5.101 2.367
345 HD2 PHE 50 HD1 PHE 50 -1.977 8.604 4.780
346 HE1 PHE 50 HE2 PHE 50 -1.242 3.771 4.241
347 HE2 PHE 50 HE1 PHE 50 -1.106 7.277 6.658
348 HZ PHE 50 HZ PHE 50 -0.789 4.906 6.442
349 H CYS 51 HN CYS 51 -4.295 8.076 -0.315
350 HA CYS 51 HA CYS 51 -4.759 10.906 -0.308
351 HB2 CYS 51 HB2 CYS 51 -4.727 8.836 -2.498
352 HB3 CYS 51 HB1 CYS 51 -5.211 10.499 -2.811
353 H ARG 52 HN ARG 52 -6.751 8.062 -0.354
354 HA ARG 52 HA ARG 52 -9.147 9.364 -1.196
355 HB2 ARG 52 HB2 ARG 52 -8.782 6.914 -1.383
356 HB3 ARG 52 HB1 ARG 52 -8.813 6.794 0.369
357 HG2 ARG 52 HG2 ARG 52 -10.934 6.104 -0.394
358 HG3 ARG 52 HG1 ARG 52 -11.153 7.720 0.280
359 HD2 ARG 52 HD2 ARG 52 -11.172 8.689 -1.927
360 HD3 ARG 52 HD1 ARG 52 -10.773 7.134 -2.651
361 HE ARG 52 HE ARG 52 -13.221 7.191 -1.110
362 HH11 ARG 52 HH11 ARG 52 -11.765 7.574 -4.273
363 HH12 ARG 52 HH12 ARG 52 -13.229 7.205 -5.131
364 HH21 ARG 52 HH21 ARG 52 -15.152 6.717 -2.238
365 HH22 ARG 52 HH22 ARG 52 -15.155 6.719 -3.972
366 H MET 53 HN MET 53 -7.590 8.698 1.852
367 HA MET 53 HA MET 53 -7.783 9.600 3.917
368 HB2 MET 53 HB2 MET 53 -9.568 11.620 2.550
369 HB3 MET 53 HB1 MET 53 -8.924 11.778 4.179
370 HG2 MET 53 HG2 MET 53 -6.657 11.796 3.290
371 HG3 MET 53 HG1 MET 53 -7.293 11.613 1.656
372 HE1 MET 53 HE1 MET 53 -5.256 13.874 2.331
373 HE2 MET 53 HE2 MET 53 -6.000 15.263 1.542
374 HE3 MET 53 HE3 MET 53 -6.014 13.688 0.750
375 H LYS 54 HN LYS 54 -9.939 7.803 2.604
376 HA LYS 54 HA LYS 54 -11.713 7.767 4.914
377 HB2 LYS 54 HB2 LYS 54 -12.714 7.904 2.054
378 HB3 LYS 54 HB1 LYS 54 -13.715 7.563 3.456
379 HG2 LYS 54 HG2 LYS 54 -13.294 9.773 4.343
380 HG3 LYS 54 HG1 LYS 54 -12.188 10.124 3.015
381 HD2 LYS 54 HD2 LYS 54 -14.338 11.154 2.598
382 HD3 LYS 54 HD1 LYS 54 -14.054 9.869 1.425
383 HE2 LYS 54 HE2 LYS 54 -16.357 9.838 2.260
384 HE3 LYS 54 HE1 LYS 54 -15.489 8.369 2.699
385 HZ1 LYS 54 HZ1 LYS 54 -15.186 9.201 4.912
386 HZ2 LYS 54 HZ2 LYS 54 -16.828 9.288 4.526
387 HZ3 LYS 54 HZ3 LYS 54 -15.883 10.687 4.509
388 H GLU 55 HN GLU 55 -12.968 5.720 4.981
389 HA GLU 55 HA GLU 55 -11.393 3.510 3.997
390 HB2 GLU 55 HB2 GLU 55 -13.971 3.541 5.576
391 HB3 GLU 55 HB1 GLU 55 -13.046 2.098 5.191
392 HG2 GLU 55 HG2 GLU 55 -12.169 4.396 6.921
393 HG3 GLU 55 HG1 GLU 55 -12.585 2.766 7.447
394 H SER 56 HN SER 56 -11.590 3.240 1.854
395 HA SER 56 HA SER 56 -14.302 2.784 0.817
396 HB2 SER 56 HB2 SER 56 -13.297 4.918 -0.030
397 HB3 SER 56 HB1 SER 56 -11.977 3.980 -0.724
398 HG SER 56 HG SER 56 -13.388 3.029 -2.129
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 17.721 -0.623 5.390
2 H2 GLY 1 HT2 GLY 1 18.059 -1.007 3.779
3 H3 GLY 1 HT3 GLY 1 18.619 0.447 4.435
4 HA2 GLY 1 HA1 GLY 1 20.074 -0.728 5.935
5 HA3 GLY 1 HA2 GLY 1 19.468 -2.253 5.309
6 H ALA 2 HN ALA 2 21.496 -2.932 4.614
7 HA ALA 2 HA ALA 2 23.149 -1.261 2.956
8 HB1 ALA 2 HB1 ALA 2 24.656 -3.161 2.880
9 HB2 ALA 2 HB2 ALA 2 23.417 -4.201 3.580
10 HB3 ALA 2 HB3 ALA 2 24.106 -2.886 4.534
11 H MET 3 HN MET 3 20.490 -3.235 2.372
12 HA MET 3 HA MET 3 21.276 -3.764 -0.409
13 HB2 MET 3 HB2 MET 3 20.290 -5.576 1.082
14 HB3 MET 3 HB1 MET 3 18.774 -4.694 1.007
15 HG2 MET 3 HG2 MET 3 18.713 -4.973 -1.410
16 HG3 MET 3 HG1 MET 3 20.253 -5.827 -1.358
17 HE1 MET 3 HE1 MET 3 19.829 -7.562 1.372
18 HE2 MET 3 HE2 MET 3 20.607 -8.130 -0.105
19 HE3 MET 3 HE3 MET 3 19.308 -9.072 0.625
20 H GLY 4 HN GLY 4 20.125 -1.268 1.181
21 HA2 GLY 4 HA2 GLY 4 19.319 0.603 -0.196
22 HA3 GLY 4 HA1 GLY 4 18.206 -0.537 -0.942
23 H MET 5 HN MET 5 17.007 1.608 -0.051
24 HA MET 5 HA MET 5 16.135 1.136 2.700
25 HB2 MET 5 HB2 MET 5 16.742 3.430 1.981
26 HB3 MET 5 HB1 MET 5 15.433 3.389 0.809
27 HG2 MET 5 HG2 MET 5 13.796 3.276 2.556
28 HG3 MET 5 HG1 MET 5 15.053 3.111 3.780
29 HE1 MET 5 HE1 MET 5 13.969 5.118 5.179
30 HE2 MET 5 HE2 MET 5 12.707 5.243 3.954
31 HE3 MET 5 HE3 MET 5 13.578 6.686 4.473
32 H ARG 6 HN ARG 6 15.049 0.829 -0.579
33 HA ARG 6 HA ARG 6 12.349 0.170 0.362
34 HB2 ARG 6 HB2 ARG 6 12.453 1.948 -1.328
35 HB3 ARG 6 HB1 ARG 6 13.292 0.862 -2.425
36 HG2 ARG 6 HG2 ARG 6 11.173 0.693 -3.231
37 HG3 ARG 6 HG1 ARG 6 11.166 -0.633 -2.071
38 HD2 ARG 6 HD2 ARG 6 10.080 2.141 -1.615
39 HD3 ARG 6 HD1 ARG 6 9.129 0.694 -1.922
40 HE ARG 6 HE ARG 6 10.770 0.346 0.364
41 HH11 ARG 6 HH11 ARG 6 7.830 1.816 -0.775
42 HH12 ARG 6 HH12 ARG 6 7.131 1.977 0.806
43 HH21 ARG 6 HH21 ARG 6 9.876 0.540 2.470
44 HH22 ARG 6 HH22 ARG 6 8.303 1.245 2.662
45 H ASN 7 HN ASN 7 12.933 -1.931 1.055
46 HA ASN 7 HA ASN 7 13.207 -3.824 -1.186
47 HB2 ASN 7 HB2 ASN 7 14.101 -4.217 1.683
48 HB3 ASN 7 HB1 ASN 7 14.159 -5.446 0.429
49 HD21 ASN 7 HD21 ASN 7 15.611 -2.572 1.689
50 HD22 ASN 7 HD22 ASN 7 17.017 -2.599 0.682
51 H LEU 8 HN LEU 8 11.472 -5.028 -1.537
52 HA LEU 8 HA LEU 8 9.264 -4.906 0.336
53 HB2 LEU 8 HB2 LEU 8 9.385 -6.375 -2.293
54 HB3 LEU 8 HB1 LEU 8 7.948 -5.903 -1.406
55 HG LEU 8 HG LEU 8 9.875 -4.060 -2.822
56 HD11 LEU 8 HD11 LEU 8 7.964 -3.548 -4.236
57 HD12 LEU 8 HD12 LEU 8 6.988 -4.724 -3.355
58 HD13 LEU 8 HD13 LEU 8 8.371 -5.261 -4.306
59 HD21 LEU 8 HD21 LEU 8 8.344 -2.257 -2.198
60 HD22 LEU 8 HD22 LEU 8 9.086 -3.003 -0.784
61 HD23 LEU 8 HD23 LEU 8 7.420 -3.388 -1.212
62 H ASP 9 HN ASP 9 11.593 -6.297 1.143
63 HA ASP 9 HA ASP 9 10.882 -9.136 1.043
64 HB2 ASP 9 HB2 ASP 9 13.207 -8.488 0.501
65 HB3 ASP 9 HB1 ASP 9 13.372 -7.788 2.108
66 H GLU 10 HN GLU 10 10.968 -6.402 3.113
67 HA GLU 10 HA GLU 10 10.582 -7.927 5.544
68 HB2 GLU 10 HB2 GLU 10 10.425 -5.701 6.619
69 HB3 GLU 10 HB1 GLU 10 11.891 -5.886 5.668
70 HG2 GLU 10 HG2 GLU 10 10.791 -4.645 3.824
71 HG3 GLU 10 HG1 GLU 10 9.413 -4.371 4.887
72 H CYS 11 HN CYS 11 8.721 -7.210 3.023
73 HA CYS 11 HA CYS 11 6.280 -6.683 4.566
74 HB2 CYS 11 HB2 CYS 11 6.942 -5.089 2.732
75 HB3 CYS 11 HB1 CYS 11 6.709 -6.398 1.592
76 H GLU 12 HN GLU 12 5.703 -8.730 5.187
77 HA GLU 12 HA GLU 12 6.024 -11.064 3.684
78 HB2 GLU 12 HB2 GLU 12 5.629 -11.115 6.084
79 HB3 GLU 12 HB1 GLU 12 4.024 -10.440 5.849
80 HG2 GLU 12 HG2 GLU 12 3.433 -12.464 4.536
81 HG3 GLU 12 HG1 GLU 12 4.996 -13.146 4.981
82 H VAL 13 HN VAL 13 3.414 -8.738 3.813
83 HA VAL 13 HA VAL 13 1.548 -10.327 2.403
84 HB VAL 13 HB VAL 13 0.716 -8.568 3.779
85 HG11 VAL 13 HG11 VAL 13 2.614 -7.061 3.665
86 HG12 VAL 13 HG12 VAL 13 1.104 -6.216 3.331
87 HG13 VAL 13 HG13 VAL 13 2.186 -6.641 2.007
88 HG21 VAL 13 HG21 VAL 13 -0.778 -7.399 2.258
89 HG22 VAL 13 HG22 VAL 13 -0.604 -9.088 1.787
90 HG23 VAL 13 HG23 VAL 13 0.254 -7.830 0.898
91 H CYS 14 HN CYS 14 4.008 -8.002 1.357
92 HA CYS 14 HA CYS 14 3.262 -7.995 -1.374
93 HB2 CYS 14 HB2 CYS 14 5.639 -7.174 0.168
94 HB3 CYS 14 HB1 CYS 14 5.945 -7.604 -1.509
95 H ARG 15 HN ARG 15 5.166 -10.177 0.577
96 HA ARG 15 HA ARG 15 6.226 -11.743 -1.540
97 HB2 ARG 15 HB2 ARG 15 5.674 -12.367 1.352
98 HB3 ARG 15 HB1 ARG 15 6.368 -13.547 0.253
99 HG2 ARG 15 HG2 ARG 15 8.273 -12.063 -0.135
100 HG3 ARG 15 HG1 ARG 15 7.573 -10.891 0.988
101 HD2 ARG 15 HD2 ARG 15 7.769 -12.423 2.811
102 HD3 ARG 15 HD1 ARG 15 8.219 -13.735 1.730
103 HE ARG 15 HE ARG 15 10.134 -11.756 1.407
104 HH11 ARG 15 HH11 ARG 15 8.957 -13.828 3.973
105 HH12 ARG 15 HH12 ARG 15 10.480 -13.883 4.801
106 HH21 ARG 15 HH21 ARG 15 12.152 -11.836 2.487
107 HH22 ARG 15 HH22 ARG 15 12.296 -12.763 3.952
108 H ASP 16 HN ASP 16 3.261 -11.836 0.301
109 HA ASP 16 HA ASP 16 2.217 -14.188 -0.925
110 HB2 ASP 16 HB2 ASP 16 1.449 -13.433 1.269
111 HB3 ASP 16 HB1 ASP 16 0.829 -11.946 0.565
112 H GLY 17 HN GLY 17 2.724 -11.109 -2.105
113 HA2 GLY 17 HA2 GLY 17 2.151 -10.197 -4.159
114 HA3 GLY 17 HA1 GLY 17 1.101 -11.581 -4.443
115 H GLY 18 HN GLY 18 0.800 -9.878 -1.487
116 HA2 GLY 18 HA2 GLY 18 -1.940 -9.401 -1.788
117 HA3 GLY 18 HA1 GLY 18 -0.910 -8.687 -0.561
118 H GLU 19 HN GLU 19 -3.026 -7.314 -1.622
119 HA GLU 19 HA GLU 19 -2.224 -5.729 -3.872
120 HB2 GLU 19 HB2 GLU 19 -4.607 -6.413 -3.273
121 HB3 GLU 19 HB1 GLU 19 -4.534 -5.180 -2.021
122 HG2 GLU 19 HG2 GLU 19 -5.618 -4.437 -4.125
123 HG3 GLU 19 HG1 GLU 19 -4.239 -3.451 -3.634
124 H LEU 20 HN LEU 20 -1.860 -3.507 -3.884
125 HA LEU 20 HA LEU 20 -0.971 -2.391 -1.303
126 HB2 LEU 20 HB2 LEU 20 0.767 -3.015 -3.108
127 HB3 LEU 20 HB1 LEU 20 0.146 -1.641 -3.997
128 HG LEU 20 HG LEU 20 1.188 -1.331 -1.188
129 HD11 LEU 20 HD11 LEU 20 2.788 -1.156 -3.744
130 HD12 LEU 20 HD12 LEU 20 2.948 -2.406 -2.512
131 HD13 LEU 20 HD13 LEU 20 3.355 -0.734 -2.130
132 HD21 LEU 20 HD21 LEU 20 1.013 0.580 -3.521
133 HD22 LEU 20 HD22 LEU 20 1.562 0.963 -1.890
134 HD23 LEU 20 HD23 LEU 20 -0.121 0.514 -2.171
135 H PHE 21 HN PHE 21 -2.118 -0.648 -0.691
136 HA PHE 21 HA PHE 21 -3.921 0.537 -2.694
137 HB2 PHE 21 HB2 PHE 21 -4.147 0.601 0.330
138 HB3 PHE 21 HB1 PHE 21 -5.361 1.149 -0.822
139 HD1 PHE 21 HD2 PHE 21 -6.308 -0.634 -2.448
140 HD2 PHE 21 HD1 PHE 21 -4.217 -1.564 1.148
141 HE1 PHE 21 HE2 PHE 21 -7.303 -2.884 -2.447
142 HE2 PHE 21 HE1 PHE 21 -5.208 -3.813 1.147
143 HZ PHE 21 HZ PHE 21 -6.753 -4.474 -0.652
144 H CYS 22 HN CYS 22 -1.537 1.607 -3.015
145 HA CYS 22 HA CYS 22 -1.827 4.323 -2.055
146 HB2 CYS 22 HB2 CYS 22 0.291 2.482 -1.057
147 HB3 CYS 22 HB1 CYS 22 0.747 4.149 -1.390
148 H CYS 23 HN CYS 23 -0.425 5.818 -3.121
149 HA CYS 23 HA CYS 23 0.414 5.081 -5.768
150 HB2 CYS 23 HB2 CYS 23 1.138 7.652 -4.359
151 HB3 CYS 23 HB1 CYS 23 0.860 7.388 -6.082
152 H ASP 24 HN ASP 24 2.761 5.794 -6.436
153 HA ASP 24 HA ASP 24 4.605 4.180 -5.112
154 HB2 ASP 24 HB2 ASP 24 5.047 6.547 -6.934
155 HB3 ASP 24 HB1 ASP 24 6.364 5.554 -6.324
156 H THR 25 HN THR 25 4.173 7.711 -4.863
157 HA THR 25 HA THR 25 6.227 8.183 -3.020
158 HB THR 25 HB THR 25 3.634 9.718 -3.122
159 HG1 THR 25 HG1 THR 25 5.776 9.611 -4.971
160 HG21 THR 25 HG21 THR 25 5.060 11.625 -2.585
161 HG22 THR 25 HG22 THR 25 6.481 10.580 -2.601
162 HG23 THR 25 HG23 THR 25 5.235 10.356 -1.373
163 H CYS 26 HN CYS 26 2.765 7.674 -2.507
164 HA CYS 26 HA CYS 26 2.762 7.916 0.277
165 HB2 CYS 26 HB2 CYS 26 0.834 6.303 -1.399
166 HB3 CYS 26 HB1 CYS 26 0.505 7.111 0.134
167 H SER 27 HN SER 27 3.196 5.117 -1.816
168 HA SER 27 HA SER 27 3.140 3.169 0.253
169 HB2 SER 27 HB2 SER 27 2.765 2.662 -2.153
170 HB3 SER 27 HB1 SER 27 4.467 2.999 -2.463
171 HG SER 27 HG SER 27 4.364 0.838 -2.182
172 H ARG 28 HN ARG 28 5.656 5.177 -1.141
173 HA ARG 28 HA ARG 28 7.880 3.736 -0.187
174 HB2 ARG 28 HB2 ARG 28 7.478 6.573 -1.063
175 HB3 ARG 28 HB1 ARG 28 9.024 6.038 -0.423
176 HG2 ARG 28 HG2 ARG 28 9.278 4.439 -2.179
177 HG3 ARG 28 HG1 ARG 28 7.636 4.739 -2.754
178 HD2 ARG 28 HD2 ARG 28 9.304 5.859 -4.153
179 HD3 ARG 28 HD1 ARG 28 8.241 7.014 -3.350
180 HE ARG 28 HE ARG 28 10.294 6.938 -1.653
181 HH11 ARG 28 HH11 ARG 28 10.263 7.188 -5.150
182 HH12 ARG 28 HH12 ARG 28 11.701 8.154 -5.208
183 HH21 ARG 28 HH21 ARG 28 12.178 8.202 -1.736
184 HH22 ARG 28 HH22 ARG 28 12.785 8.740 -3.271
185 H VAL 29 HN VAL 29 5.805 6.096 1.302
186 HA VAL 29 HA VAL 29 7.635 6.350 3.554
187 HB VAL 29 HB VAL 29 6.046 8.101 4.374
188 HG11 VAL 29 HG11 VAL 29 8.070 8.678 3.163
189 HG12 VAL 29 HG12 VAL 29 6.759 9.771 2.718
190 HG13 VAL 29 HG13 VAL 29 7.231 8.469 1.626
191 HG21 VAL 29 HG21 VAL 29 4.805 7.763 1.646
192 HG22 VAL 29 HG22 VAL 29 4.413 9.015 2.823
193 HG23 VAL 29 HG23 VAL 29 4.046 7.327 3.175
194 H PHE 30 HN PHE 30 4.365 5.152 2.864
195 HA PHE 30 HA PHE 30 4.358 4.024 5.593
196 HB2 PHE 30 HB2 PHE 30 1.889 4.931 4.101
197 HB3 PHE 30 HB1 PHE 30 1.972 4.352 5.759
198 HD1 PHE 30 HD2 PHE 30 4.092 5.851 6.980
199 HD2 PHE 30 HD1 PHE 30 1.235 7.126 4.089
200 HE1 PHE 30 HE2 PHE 30 4.334 8.169 7.764
201 HE2 PHE 30 HE1 PHE 30 1.475 9.444 4.875
202 HZ PHE 30 HZ PHE 30 3.024 9.964 6.712
203 H HIS 31 HN HIS 31 5.426 2.503 3.656
204 HA HIS 31 HA HIS 31 3.820 1.075 1.929
205 HB2 HIS 31 HB2 HIS 31 6.331 1.019 2.073
206 HB3 HIS 31 HB1 HIS 31 6.167 -0.089 3.427
207 HD1 HIS 31 HD1 HIS 31 4.746 -0.032 -0.144
208 HD2 HIS 31 HD2 HIS 31 6.567 -2.584 2.589
209 HE1 HIS 31 HE1 HIS 31 5.002 -2.271 -1.309
210 H GLU 32 HN GLU 32 4.468 0.378 5.347
211 HA GLU 32 HA GLU 32 3.271 -2.192 5.319
212 HB2 GLU 32 HB2 GLU 32 3.634 -0.328 7.672
213 HB3 GLU 32 HB1 GLU 32 3.270 -2.041 7.768
214 HG2 GLU 32 HG2 GLU 32 5.537 -1.958 8.197
215 HG3 GLU 32 HG1 GLU 32 5.474 -2.364 6.484
216 H ASP 33 HN ASP 33 2.114 0.994 6.276
217 HA ASP 33 HA ASP 33 -0.482 0.150 7.058
218 HB2 ASP 33 HB2 ASP 33 0.583 2.868 6.286
219 HB3 ASP 33 HB1 ASP 33 -1.039 2.594 6.907
220 H CYS 34 HN CYS 34 0.966 0.921 4.042
221 HA CYS 34 HA CYS 34 -1.446 1.536 2.638
222 HB2 CYS 34 HB2 CYS 34 1.382 0.966 1.790
223 HB3 CYS 34 HB1 CYS 34 0.095 1.223 0.613
224 H HIS 35 HN HIS 35 -0.289 -1.348 3.813
225 HA HIS 35 HA HIS 35 -1.571 -2.896 1.663
226 HB2 HIS 35 HB2 HIS 35 0.415 -3.676 3.784
227 HB3 HIS 35 HB1 HIS 35 -0.506 -4.877 2.883
228 HD1 HIS 35 HD1 HIS 35 0.114 -5.188 0.353
229 HD2 HIS 35 HD2 HIS 35 2.382 -2.355 2.370
230 HE1 HIS 35 HE1 HIS 35 2.111 -4.693 -1.120
231 H ILE 36 HN ILE 36 -2.659 -1.390 4.182
232 HA ILE 36 HA ILE 36 -4.640 -3.437 4.759
233 HB ILE 36 HB ILE 36 -4.590 -2.775 7.224
234 HG12 ILE 36 HG12 ILE 36 -1.768 -1.974 6.508
235 HG13 ILE 36 HG11 ILE 36 -3.054 -0.854 6.942
236 HG21 ILE 36 HG21 ILE 36 -3.974 -4.985 6.499
237 HG22 ILE 36 HG22 ILE 36 -2.868 -4.453 7.765
238 HG23 ILE 36 HG23 ILE 36 -2.353 -4.431 6.079
239 HD11 ILE 36 HD11 ILE 36 -1.930 -3.006 8.721
240 HD12 ILE 36 HD12 ILE 36 -3.183 -1.844 9.157
241 HD13 ILE 36 HD13 ILE 36 -1.545 -1.288 8.811
242 HA PRO 37 HA PRO 37 -6.262 -3.695 5.790
243 HB2 PRO 37 HB2 PRO 37 -8.963 -3.519 5.847
244 HB3 PRO 37 HB1 PRO 37 -7.948 -3.012 7.204
245 HG2 PRO 37 HG2 PRO 37 -9.494 -1.381 5.316
246 HG3 PRO 37 HG1 PRO 37 -8.858 -0.954 6.911
247 HD2 PRO 37 HD2 PRO 37 -7.758 -0.342 4.304
248 HD3 PRO 37 HD1 PRO 37 -7.177 0.179 5.899
249 HA PRO 38 HA PRO 38 -7.141 -4.861 1.524
250 HB2 PRO 38 HB2 PRO 38 -7.019 -7.547 1.911
251 HB3 PRO 38 HB1 PRO 38 -5.582 -6.532 1.736
252 HG2 PRO 38 HG2 PRO 38 -6.846 -7.624 4.215
253 HG3 PRO 38 HG1 PRO 38 -5.128 -7.479 3.806
254 HD2 PRO 38 HD2 PRO 38 -6.417 -5.735 5.457
255 HD3 PRO 38 HD1 PRO 38 -5.034 -5.272 4.443
256 H VAL 39 HN VAL 39 -9.308 -3.968 1.997
257 HA VAL 39 HA VAL 39 -11.357 -5.494 3.182
258 HB VAL 39 HB VAL 39 -11.675 -3.290 1.138
259 HG11 VAL 39 HG11 VAL 39 -13.875 -2.967 2.145
260 HG12 VAL 39 HG12 VAL 39 -13.586 -4.321 3.235
261 HG13 VAL 39 HG13 VAL 39 -13.711 -4.598 1.499
262 HG21 VAL 39 HG21 VAL 39 -11.922 -1.790 3.071
263 HG22 VAL 39 HG22 VAL 39 -10.318 -2.518 3.002
264 HG23 VAL 39 HG23 VAL 39 -11.513 -3.125 4.148
265 H GLU 40 HN GLU 40 -11.814 -7.450 2.448
266 HA GLU 40 HA GLU 40 -11.752 -8.204 -0.297
267 HB2 GLU 40 HB2 GLU 40 -11.390 -9.744 1.658
268 HB3 GLU 40 HB1 GLU 40 -13.106 -9.619 2.008
269 HG2 GLU 40 HG2 GLU 40 -12.553 -11.668 0.804
270 HG3 GLU 40 HG1 GLU 40 -13.650 -10.637 -0.113
271 H ALA 41 HN ALA 41 -13.083 -6.547 -1.183
272 HA ALA 41 HA ALA 41 -15.772 -7.244 -1.645
273 HB1 ALA 41 HB1 ALA 41 -16.122 -6.377 0.627
274 HB2 ALA 41 HB2 ALA 41 -16.920 -5.369 -0.579
275 HB3 ALA 41 HB3 ALA 41 -15.404 -4.840 0.149
276 H GLU 42 HN GLU 42 -13.163 -4.968 -1.708
277 HA GLU 42 HA GLU 42 -13.736 -4.346 -4.467
278 HB2 GLU 42 HB2 GLU 42 -13.631 -1.894 -4.130
279 HB3 GLU 42 HB1 GLU 42 -15.048 -2.617 -3.381
280 HG2 GLU 42 HG2 GLU 42 -13.973 -2.506 -1.204
281 HG3 GLU 42 HG1 GLU 42 -12.524 -1.827 -1.944
282 H ARG 43 HN ARG 43 -11.733 -5.854 -3.545
283 HA ARG 43 HA ARG 43 -9.388 -4.307 -2.857
284 HB2 ARG 43 HB2 ARG 43 -10.078 -6.711 -2.105
285 HB3 ARG 43 HB1 ARG 43 -9.357 -7.205 -3.629
286 HG2 ARG 43 HG2 ARG 43 -7.274 -5.970 -2.861
287 HG3 ARG 43 HG1 ARG 43 -8.037 -5.919 -1.267
288 HD2 ARG 43 HD2 ARG 43 -6.654 -7.844 -1.289
289 HD3 ARG 43 HD1 ARG 43 -8.315 -8.415 -1.447
290 HE ARG 43 HE ARG 43 -6.542 -8.096 -3.780
291 HH11 ARG 43 HH11 ARG 43 -8.795 -10.032 -1.904
292 HH12 ARG 43 HH12 ARG 43 -8.803 -11.333 -3.047
293 HH21 ARG 43 HH21 ARG 43 -6.569 -9.796 -5.270
294 HH22 ARG 43 HH22 ARG 43 -7.536 -11.205 -4.963
295 H THR 44 HN THR 44 -10.419 -3.507 -5.303
296 HA THR 44 HA THR 44 -8.219 -3.674 -7.046
297 HB THR 44 HB THR 44 -9.177 -6.010 -7.332
298 HG1 THR 44 HG1 THR 44 -7.963 -5.445 -9.025
299 HG21 THR 44 HG21 THR 44 -11.543 -5.521 -7.195
300 HG22 THR 44 HG22 THR 44 -11.181 -6.220 -8.772
301 HG23 THR 44 HG23 THR 44 -11.443 -4.485 -8.618
302 HA PRO 45 HA PRO 45 -7.892 -3.316 -9.181
303 HB2 PRO 45 HB2 PRO 45 -7.307 -0.839 -10.534
304 HB3 PRO 45 HB1 PRO 45 -7.822 -2.375 -11.241
305 HG2 PRO 45 HG2 PRO 45 -9.358 -0.100 -11.229
306 HG3 PRO 45 HG1 PRO 45 -10.018 -1.748 -11.318
307 HD2 PRO 45 HD2 PRO 45 -9.775 0.071 -8.938
308 HD3 PRO 45 HD1 PRO 45 -11.117 -0.998 -9.402
309 H TRP 46 HN TRP 46 -7.916 0.152 -8.351
310 HA TRP 46 HA TRP 46 -5.783 -0.221 -6.432
311 HB2 TRP 46 HB2 TRP 46 -4.478 0.002 -8.475
312 HB3 TRP 46 HB1 TRP 46 -5.392 1.430 -8.945
313 HD1 TRP 46 HD1 TRP 46 -2.691 0.306 -6.453
314 HE1 TRP 46 HE1 TRP 46 -1.436 2.394 -5.615
315 HE3 TRP 46 HE3 TRP 46 -5.610 3.917 -8.596
316 HZ2 TRP 46 HZ2 TRP 46 -1.668 5.199 -5.832
317 HZ3 TRP 46 HZ3 TRP 46 -5.024 6.278 -8.231
318 HH2 TRP 46 HH2 TRP 46 -3.094 6.903 -6.877
319 H ASN 47 HN ASN 47 -6.207 1.036 -4.757
320 HA ASN 47 HA ASN 47 -7.333 3.700 -5.172
321 HB2 ASN 47 HB2 ASN 47 -8.493 1.612 -3.309
322 HB3 ASN 47 HB1 ASN 47 -8.876 3.325 -3.206
323 HD21 ASN 47 HD21 ASN 47 -10.157 4.263 -4.785
324 HD22 ASN 47 HD22 ASN 47 -11.098 3.321 -5.891
325 H CYS 48 HN CYS 48 -5.917 5.047 -4.201
326 HA CYS 48 HA CYS 48 -4.253 4.103 -2.029
327 HB2 CYS 48 HB2 CYS 48 -3.334 5.638 -3.740
328 HB3 CYS 48 HB1 CYS 48 -4.486 6.868 -3.247
329 H ILE 49 HN ILE 49 -5.218 3.856 -0.145
330 HA ILE 49 HA ILE 49 -7.626 4.971 0.651
331 HB ILE 49 HB ILE 49 -6.908 4.366 3.016
332 HG12 ILE 49 HG12 ILE 49 -4.493 3.302 1.528
333 HG13 ILE 49 HG11 ILE 49 -4.493 4.592 2.722
334 HG21 ILE 49 HG21 ILE 49 -7.030 1.933 2.555
335 HG22 ILE 49 HG22 ILE 49 -6.842 2.282 0.837
336 HG23 ILE 49 HG23 ILE 49 -8.257 2.872 1.707
337 HD11 ILE 49 HD11 ILE 49 -3.685 2.522 3.673
338 HD12 ILE 49 HD12 ILE 49 -5.187 1.712 3.225
339 HD13 ILE 49 HD13 ILE 49 -5.204 3.001 4.430
340 H PHE 50 HN PHE 50 -4.376 6.217 1.123
341 HA PHE 50 HA PHE 50 -5.215 8.259 2.945
342 HB2 PHE 50 HB2 PHE 50 -2.646 7.964 1.381
343 HB3 PHE 50 HB1 PHE 50 -2.925 9.181 2.622
344 HD1 PHE 50 HD1 PHE 50 -3.525 8.330 4.975
345 HD2 PHE 50 HD2 PHE 50 -1.809 5.874 1.947
346 HE1 PHE 50 HE1 PHE 50 -2.772 6.742 6.692
347 HE2 PHE 50 HE2 PHE 50 -1.060 4.283 3.661
348 HZ PHE 50 HZ PHE 50 -1.540 4.718 6.037
349 H CYS 51 HN CYS 51 -4.265 8.312 -0.515
350 HA CYS 51 HA CYS 51 -4.786 11.066 -0.849
351 HB2 CYS 51 HB2 CYS 51 -4.589 8.797 -2.814
352 HB3 CYS 51 HB1 CYS 51 -5.020 10.419 -3.337
353 H ARG 52 HN ARG 52 -6.857 8.235 -1.091
354 HA ARG 52 HA ARG 52 -9.065 9.752 -2.158
355 HB2 ARG 52 HB2 ARG 52 -8.690 7.313 -2.624
356 HB3 ARG 52 HB1 ARG 52 -9.102 6.981 -0.950
357 HG2 ARG 52 HG2 ARG 52 -11.025 6.535 -2.267
358 HG3 ARG 52 HG1 ARG 52 -11.334 8.020 -1.368
359 HD2 ARG 52 HD2 ARG 52 -10.391 7.923 -4.234
360 HD3 ARG 52 HD1 ARG 52 -12.075 8.094 -3.748
361 HE ARG 52 HE ARG 52 -11.358 10.210 -2.637
362 HH11 ARG 52 HH11 ARG 52 -9.501 8.894 -5.298
363 HH12 ARG 52 HH12 ARG 52 -8.873 10.432 -5.788
364 HH21 ARG 52 HH21 ARG 52 -10.522 12.235 -3.276
365 HH22 ARG 52 HH22 ARG 52 -9.444 12.332 -4.632
366 H MET 53 HN MET 53 -7.681 9.366 0.843
367 HA MET 53 HA MET 53 -8.226 9.948 2.968
368 HB2 MET 53 HB2 MET 53 -8.976 12.036 1.706
369 HB3 MET 53 HB1 MET 53 -10.608 11.393 1.796
370 HG2 MET 53 HG2 MET 53 -10.498 11.430 4.232
371 HG3 MET 53 HG1 MET 53 -8.853 12.058 4.150
372 HE1 MET 53 HE1 MET 53 -11.953 13.032 1.853
373 HE2 MET 53 HE2 MET 53 -12.621 14.357 2.803
374 HE3 MET 53 HE3 MET 53 -12.619 12.719 3.455
375 H LYS 54 HN LYS 54 -9.151 7.505 1.909
376 HA LYS 54 HA LYS 54 -11.725 7.140 3.288
377 HB2 LYS 54 HB2 LYS 54 -11.809 6.769 0.828
378 HB3 LYS 54 HB1 LYS 54 -10.593 5.512 0.999
379 HG2 LYS 54 HG2 LYS 54 -12.151 4.238 2.423
380 HG3 LYS 54 HG1 LYS 54 -13.372 5.485 2.163
381 HD2 LYS 54 HD2 LYS 54 -13.393 5.038 -0.206
382 HD3 LYS 54 HD1 LYS 54 -12.060 3.895 -0.039
383 HE2 LYS 54 HE2 LYS 54 -14.198 2.733 -0.253
384 HE3 LYS 54 HE1 LYS 54 -13.467 2.438 1.323
385 HZ1 LYS 54 HZ1 LYS 54 -15.828 2.879 1.511
386 HZ2 LYS 54 HZ2 LYS 54 -15.640 4.382 0.765
387 HZ3 LYS 54 HZ3 LYS 54 -14.940 4.096 2.278
388 H GLU 55 HN GLU 55 -10.238 6.996 5.170
389 HA GLU 55 HA GLU 55 -9.354 4.219 5.513
390 HB2 GLU 55 HB2 GLU 55 -7.617 6.353 5.382
391 HB3 GLU 55 HB1 GLU 55 -7.889 6.196 7.110
392 HG2 GLU 55 HG2 GLU 55 -6.929 4.001 5.286
393 HG3 GLU 55 HG1 GLU 55 -5.918 4.962 6.360
394 H SER 56 HN SER 56 -10.817 3.403 6.859
395 HA SER 56 HA SER 56 -11.988 5.106 8.921
396 HB2 SER 56 HB2 SER 56 -12.778 2.311 8.061
397 HB3 SER 56 HB1 SER 56 -13.687 3.375 9.134
398 HG SER 56 HG SER 56 -14.561 3.568 7.105
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 17.771 2.983 -0.514
2 H2 GLY 1 HT2 GLY 1 18.671 4.025 -1.496
3 H3 GLY 1 HT3 GLY 1 17.577 4.657 -0.374
4 HA2 GLY 1 HA1 GLY 1 19.869 4.877 0.392
5 HA3 GLY 1 HA2 GLY 1 18.891 3.878 1.455
6 H ALA 2 HN ALA 2 20.912 2.997 2.220
7 HA ALA 2 HA ALA 2 22.635 1.562 0.427
8 HB1 ALA 2 HB1 ALA 2 23.836 0.898 2.438
9 HB2 ALA 2 HB2 ALA 2 22.525 1.513 3.441
10 HB3 ALA 2 HB3 ALA 2 23.484 2.624 2.466
11 H MET 3 HN MET 3 19.848 0.768 2.349
12 HA MET 3 HA MET 3 20.294 -2.087 2.223
13 HB2 MET 3 HB2 MET 3 19.031 -1.096 4.092
14 HB3 MET 3 HB1 MET 3 17.809 -0.526 2.967
15 HG2 MET 3 HG2 MET 3 17.336 -2.874 2.353
16 HG3 MET 3 HG1 MET 3 18.476 -3.391 3.592
17 HE1 MET 3 HE1 MET 3 18.065 -3.185 6.183
18 HE2 MET 3 HE2 MET 3 16.747 -2.250 6.888
19 HE3 MET 3 HE3 MET 3 18.011 -1.436 5.968
20 H GLY 4 HN GLY 4 18.789 0.363 0.332
21 HA2 GLY 4 HA2 GLY 4 18.724 -0.551 -2.092
22 HA3 GLY 4 HA1 GLY 4 17.520 -1.634 -1.404
23 H MET 5 HN MET 5 15.857 -0.866 -2.669
24 HA MET 5 HA MET 5 14.860 1.784 -1.879
25 HB2 MET 5 HB2 MET 5 15.803 1.900 -4.156
26 HB3 MET 5 HB1 MET 5 14.742 0.593 -4.657
27 HG2 MET 5 HG2 MET 5 12.797 1.994 -4.205
28 HG3 MET 5 HG1 MET 5 13.862 3.304 -3.695
29 HE1 MET 5 HE1 MET 5 15.688 4.257 -7.007
30 HE2 MET 5 HE2 MET 5 16.255 3.113 -5.793
31 HE3 MET 5 HE3 MET 5 15.481 4.616 -5.293
32 H ARG 6 HN ARG 6 14.055 -1.333 -3.370
33 HA ARG 6 HA ARG 6 11.360 -1.114 -2.228
34 HB2 ARG 6 HB2 ARG 6 12.443 -2.890 -4.418
35 HB3 ARG 6 HB1 ARG 6 10.829 -3.051 -3.741
36 HG2 ARG 6 HG2 ARG 6 10.366 -0.710 -4.434
37 HG3 ARG 6 HG1 ARG 6 11.939 -0.686 -5.234
38 HD2 ARG 6 HD2 ARG 6 11.263 -2.508 -6.681
39 HD3 ARG 6 HD1 ARG 6 9.720 -2.635 -5.838
40 HE ARG 6 HE ARG 6 10.338 -0.076 -7.082
41 HH11 ARG 6 HH11 ARG 6 8.628 -3.125 -7.238
42 HH12 ARG 6 HH12 ARG 6 7.512 -2.587 -8.451
43 HH21 ARG 6 HH21 ARG 6 8.867 0.641 -8.694
44 HH22 ARG 6 HH22 ARG 6 7.648 -0.444 -9.282
45 H ASN 7 HN ASN 7 12.360 -1.520 -0.146
46 HA ASN 7 HA ASN 7 13.422 -4.140 0.399
47 HB2 ASN 7 HB2 ASN 7 13.274 -3.306 2.811
48 HB3 ASN 7 HB1 ASN 7 14.337 -2.414 1.730
49 HD21 ASN 7 HD21 ASN 7 11.408 -2.326 3.585
50 HD22 ASN 7 HD22 ASN 7 11.095 -0.636 3.394
51 H LEU 8 HN LEU 8 11.349 -4.964 -0.676
52 HA LEU 8 HA LEU 8 9.005 -4.941 1.050
53 HB2 LEU 8 HB2 LEU 8 9.547 -5.741 -1.773
54 HB3 LEU 8 HB1 LEU 8 8.134 -6.384 -0.964
55 HG LEU 8 HG LEU 8 7.204 -4.180 -0.681
56 HD11 LEU 8 HD11 LEU 8 8.307 -2.170 -1.500
57 HD12 LEU 8 HD12 LEU 8 9.736 -3.115 -1.920
58 HD13 LEU 8 HD13 LEU 8 9.258 -2.942 -0.232
59 HD21 LEU 8 HD21 LEU 8 8.298 -4.529 -3.465
60 HD22 LEU 8 HD22 LEU 8 6.930 -3.512 -3.012
61 HD23 LEU 8 HD23 LEU 8 6.828 -5.262 -2.822
62 H ASP 9 HN ASP 9 11.505 -6.422 1.654
63 HA ASP 9 HA ASP 9 10.650 -9.216 1.577
64 HB2 ASP 9 HB2 ASP 9 12.835 -9.765 2.462
65 HB3 ASP 9 HB1 ASP 9 13.036 -8.638 1.126
66 H GLU 10 HN GLU 10 10.684 -6.504 3.618
67 HA GLU 10 HA GLU 10 10.175 -7.987 6.059
68 HB2 GLU 10 HB2 GLU 10 9.973 -5.722 7.070
69 HB3 GLU 10 HB1 GLU 10 11.495 -5.948 6.215
70 HG2 GLU 10 HG2 GLU 10 10.454 -4.787 4.252
71 HG3 GLU 10 HG1 GLU 10 9.083 -4.413 5.292
72 H CYS 11 HN CYS 11 8.493 -7.245 3.409
73 HA CYS 11 HA CYS 11 5.932 -6.788 4.774
74 HB2 CYS 11 HB2 CYS 11 6.708 -5.133 3.034
75 HB3 CYS 11 HB1 CYS 11 6.578 -6.418 1.849
76 H GLU 12 HN GLU 12 5.398 -8.905 5.298
77 HA GLU 12 HA GLU 12 5.899 -11.119 3.638
78 HB2 GLU 12 HB2 GLU 12 4.398 -12.371 5.110
79 HB3 GLU 12 HB1 GLU 12 5.515 -11.379 6.032
80 HG2 GLU 12 HG2 GLU 12 3.761 -9.740 6.403
81 HG3 GLU 12 HG1 GLU 12 2.638 -10.713 5.456
82 H VAL 13 HN VAL 13 3.274 -8.852 3.744
83 HA VAL 13 HA VAL 13 1.454 -10.449 2.261
84 HB VAL 13 HB VAL 13 0.611 -8.678 3.675
85 HG11 VAL 13 HG11 VAL 13 2.491 -7.114 3.370
86 HG12 VAL 13 HG12 VAL 13 0.912 -6.354 3.206
87 HG13 VAL 13 HG13 VAL 13 1.864 -6.723 1.770
88 HG21 VAL 13 HG21 VAL 13 -0.985 -7.683 2.173
89 HG22 VAL 13 HG22 VAL 13 -0.687 -9.353 1.688
90 HG23 VAL 13 HG23 VAL 13 0.057 -8.027 0.794
91 H CYS 14 HN CYS 14 3.815 -7.943 1.346
92 HA CYS 14 HA CYS 14 3.221 -7.929 -1.410
93 HB2 CYS 14 HB2 CYS 14 5.533 -7.115 0.248
94 HB3 CYS 14 HB1 CYS 14 5.891 -7.474 -1.435
95 H ARG 15 HN ARG 15 5.232 -9.970 0.578
96 HA ARG 15 HA ARG 15 6.466 -11.442 -1.497
97 HB2 ARG 15 HB2 ARG 15 7.299 -11.365 0.827
98 HB3 ARG 15 HB1 ARG 15 5.887 -12.271 1.351
99 HG2 ARG 15 HG2 ARG 15 6.609 -14.150 -0.074
100 HG3 ARG 15 HG1 ARG 15 8.068 -13.244 -0.482
101 HD2 ARG 15 HD2 ARG 15 8.663 -13.169 1.904
102 HD3 ARG 15 HD1 ARG 15 7.229 -14.122 2.277
103 HE ARG 15 HE ARG 15 9.412 -15.147 0.568
104 HH11 ARG 15 HH11 ARG 15 7.138 -15.563 3.206
105 HH12 ARG 15 HH12 ARG 15 7.603 -17.206 3.509
106 HH21 ARG 15 HH21 ARG 15 10.029 -17.304 0.988
107 HH22 ARG 15 HH22 ARG 15 9.240 -18.192 2.255
108 H ASP 16 HN ASP 16 3.522 -11.914 0.372
109 HA ASP 16 HA ASP 16 2.816 -14.384 -0.838
110 HB2 ASP 16 HB2 ASP 16 1.983 -13.665 1.367
111 HB3 ASP 16 HB1 ASP 16 1.069 -12.375 0.597
112 H GLY 17 HN GLY 17 2.655 -11.181 -1.969
113 HA2 GLY 17 HA2 GLY 17 2.093 -10.636 -4.205
114 HA3 GLY 17 HA1 GLY 17 1.084 -12.073 -4.274
115 H GLY 18 HN GLY 18 0.769 -10.141 -1.489
116 HA2 GLY 18 HA2 GLY 18 -1.949 -9.572 -1.902
117 HA3 GLY 18 HA1 GLY 18 -0.932 -8.840 -0.679
118 H GLU 19 HN GLU 19 -2.911 -7.390 -1.771
119 HA GLU 19 HA GLU 19 -1.937 -5.816 -3.988
120 HB2 GLU 19 HB2 GLU 19 -4.423 -5.638 -2.288
121 HB3 GLU 19 HB1 GLU 19 -4.070 -4.539 -3.613
122 HG2 GLU 19 HG2 GLU 19 -4.319 -7.520 -3.902
123 HG3 GLU 19 HG1 GLU 19 -5.626 -6.375 -4.199
124 H LEU 20 HN LEU 20 -1.708 -3.534 -3.893
125 HA LEU 20 HA LEU 20 -1.039 -2.453 -1.237
126 HB2 LEU 20 HB2 LEU 20 0.899 -3.097 -2.863
127 HB3 LEU 20 HB1 LEU 20 0.419 -1.666 -3.749
128 HG LEU 20 HG LEU 20 1.302 -1.671 -0.858
129 HD11 LEU 20 HD11 LEU 20 2.819 -0.867 -3.340
130 HD12 LEU 20 HD12 LEU 20 3.113 -2.318 -2.381
131 HD13 LEU 20 HD13 LEU 20 3.386 -0.725 -1.676
132 HD21 LEU 20 HD21 LEU 20 1.469 0.742 -1.132
133 HD22 LEU 20 HD22 LEU 20 -0.181 0.197 -1.437
134 HD23 LEU 20 HD23 LEU 20 0.875 0.613 -2.786
135 H PHE 21 HN PHE 21 -2.170 -0.616 -0.807
136 HA PHE 21 HA PHE 21 -3.661 0.545 -3.068
137 HB2 PHE 21 HB2 PHE 21 -4.390 0.475 -0.128
138 HB3 PHE 21 HB1 PHE 21 -5.369 1.191 -1.407
139 HD1 PHE 21 HD2 PHE 21 -6.070 -0.393 -3.344
140 HD2 PHE 21 HD1 PHE 21 -4.721 -1.749 0.465
141 HE1 PHE 21 HE2 PHE 21 -7.156 -2.565 -3.731
142 HE2 PHE 21 HE1 PHE 21 -5.808 -3.921 0.076
143 HZ PHE 21 HZ PHE 21 -7.026 -4.331 -2.017
144 H CYS 22 HN CYS 22 -1.383 1.692 -3.144
145 HA CYS 22 HA CYS 22 -1.836 4.378 -2.159
146 HB2 CYS 22 HB2 CYS 22 0.365 2.622 -1.142
147 HB3 CYS 22 HB1 CYS 22 0.678 4.340 -1.350
148 H CYS 23 HN CYS 23 -0.527 5.963 -3.205
149 HA CYS 23 HA CYS 23 0.322 5.331 -5.863
150 HB2 CYS 23 HB2 CYS 23 1.045 7.871 -4.410
151 HB3 CYS 23 HB1 CYS 23 0.710 7.646 -6.126
152 H ASP 24 HN ASP 24 2.591 6.031 -6.620
153 HA ASP 24 HA ASP 24 4.514 4.405 -5.490
154 HB2 ASP 24 HB2 ASP 24 4.909 6.926 -7.115
155 HB3 ASP 24 HB1 ASP 24 6.187 5.773 -6.755
156 H THR 25 HN THR 25 4.141 7.905 -5.009
157 HA THR 25 HA THR 25 6.246 8.216 -3.171
158 HB THR 25 HB THR 25 3.707 9.846 -3.401
159 HG1 THR 25 HG1 THR 25 4.964 9.783 -5.347
160 HG21 THR 25 HG21 THR 25 4.882 10.234 -1.286
161 HG22 THR 25 HG22 THR 25 4.997 11.637 -2.347
162 HG23 THR 25 HG23 THR 25 6.374 10.550 -2.172
163 H CYS 26 HN CYS 26 2.770 7.734 -2.645
164 HA CYS 26 HA CYS 26 2.837 7.931 0.154
165 HB2 CYS 26 HB2 CYS 26 0.819 6.421 -1.516
166 HB3 CYS 26 HB1 CYS 26 0.561 7.139 0.071
167 H SER 27 HN SER 27 3.117 5.154 -2.008
168 HA SER 27 HA SER 27 2.987 3.113 -0.073
169 HB2 SER 27 HB2 SER 27 4.452 3.151 -2.721
170 HB3 SER 27 HB1 SER 27 4.042 1.709 -1.794
171 HG SER 27 HG SER 27 2.505 2.062 -3.398
172 H ARG 28 HN ARG 28 5.631 5.119 -1.196
173 HA ARG 28 HA ARG 28 7.712 3.531 -0.099
174 HB2 ARG 28 HB2 ARG 28 7.597 6.401 -1.006
175 HB3 ARG 28 HB1 ARG 28 9.078 5.624 -0.460
176 HG2 ARG 28 HG2 ARG 28 9.019 4.074 -2.271
177 HG3 ARG 28 HG1 ARG 28 7.403 4.601 -2.741
178 HD2 ARG 28 HD2 ARG 28 8.297 6.825 -3.269
179 HD3 ARG 28 HD1 ARG 28 9.913 6.271 -2.832
180 HE ARG 28 HE ARG 28 9.473 4.541 -4.687
181 HH11 ARG 28 HH11 ARG 28 8.350 7.852 -4.721
182 HH12 ARG 28 HH12 ARG 28 8.335 7.961 -6.452
183 HH21 ARG 28 HH21 ARG 28 9.442 4.682 -6.966
184 HH22 ARG 28 HH22 ARG 28 8.955 6.164 -7.725
185 H VAL 29 HN VAL 29 5.673 6.054 1.154
186 HA VAL 29 HA VAL 29 7.392 6.468 3.449
187 HB VAL 29 HB VAL 29 4.724 7.755 2.898
188 HG11 VAL 29 HG11 VAL 29 7.008 8.548 4.701
189 HG12 VAL 29 HG12 VAL 29 5.445 7.914 5.214
190 HG13 VAL 29 HG13 VAL 29 5.541 9.488 4.427
191 HG21 VAL 29 HG21 VAL 29 5.983 9.651 2.010
192 HG22 VAL 29 HG22 VAL 29 6.267 8.197 1.054
193 HG23 VAL 29 HG23 VAL 29 7.485 8.748 2.202
194 H PHE 30 HN PHE 30 4.148 5.167 2.769
195 HA PHE 30 HA PHE 30 4.108 4.186 5.558
196 HB2 PHE 30 HB2 PHE 30 1.686 4.989 3.936
197 HB3 PHE 30 HB1 PHE 30 1.704 4.464 5.613
198 HD1 PHE 30 HD2 PHE 30 3.138 5.930 7.237
199 HD2 PHE 30 HD1 PHE 30 1.671 7.252 3.461
200 HE1 PHE 30 HE2 PHE 30 3.383 8.265 7.963
201 HE2 PHE 30 HE1 PHE 30 1.917 9.590 4.184
202 HZ PHE 30 HZ PHE 30 2.674 10.103 6.453
203 H HIS 31 HN HIS 31 5.232 2.614 3.659
204 HA HIS 31 HA HIS 31 3.708 1.050 2.010
205 HB2 HIS 31 HB2 HIS 31 6.226 1.061 2.262
206 HB3 HIS 31 HB1 HIS 31 6.019 -0.010 3.639
207 HD1 HIS 31 HD1 HIS 31 5.019 -0.027 -0.065
208 HD2 HIS 31 HD2 HIS 31 6.244 -2.584 2.970
209 HE1 HIS 31 HE1 HIS 31 5.281 -2.315 -1.124
210 H GLU 32 HN GLU 32 4.312 0.484 5.468
211 HA GLU 32 HA GLU 32 3.102 -2.069 5.560
212 HB2 GLU 32 HB2 GLU 32 3.482 -0.046 7.772
213 HB3 GLU 32 HB1 GLU 32 3.087 -1.743 8.004
214 HG2 GLU 32 HG2 GLU 32 5.605 -0.694 6.733
215 HG3 GLU 32 HG1 GLU 32 5.458 -1.273 8.390
216 H ASP 33 HN ASP 33 1.888 1.159 6.293
217 HA ASP 33 HA ASP 33 -0.711 0.317 7.101
218 HB2 ASP 33 HB2 ASP 33 0.441 2.978 6.309
219 HB3 ASP 33 HB1 ASP 33 -1.272 2.791 6.664
220 H CYS 34 HN CYS 34 0.779 0.931 4.075
221 HA CYS 34 HA CYS 34 -1.617 1.482 2.607
222 HB2 CYS 34 HB2 CYS 34 1.231 0.908 1.819
223 HB3 CYS 34 HB1 CYS 34 -0.040 1.150 0.621
224 H HIS 35 HN HIS 35 -0.413 -1.354 3.884
225 HA HIS 35 HA HIS 35 -1.708 -2.974 1.790
226 HB2 HIS 35 HB2 HIS 35 0.326 -3.726 3.886
227 HB3 HIS 35 HB1 HIS 35 -0.554 -4.914 2.933
228 HD1 HIS 35 HD1 HIS 35 0.123 -5.149 0.416
229 HD2 HIS 35 HD2 HIS 35 2.285 -2.318 2.553
230 HE1 HIS 35 HE1 HIS 35 2.151 -4.592 -0.987
231 H ILE 36 HN ILE 36 -1.857 -2.046 5.123
232 HA ILE 36 HA ILE 36 -4.098 -3.896 5.544
233 HB ILE 36 HB ILE 36 -1.953 -3.258 7.582
234 HG12 ILE 36 HG12 ILE 36 -2.484 -5.839 6.090
235 HG13 ILE 36 HG11 ILE 36 -1.142 -4.744 5.777
236 HG21 ILE 36 HG21 ILE 36 -3.032 -4.940 8.972
237 HG22 ILE 36 HG22 ILE 36 -4.265 -5.186 7.737
238 HG23 ILE 36 HG23 ILE 36 -4.155 -3.638 8.577
239 HD11 ILE 36 HD11 ILE 36 -1.625 -6.284 8.316
240 HD12 ILE 36 HD12 ILE 36 -0.290 -5.166 8.034
241 HD13 ILE 36 HD13 ILE 36 -0.418 -6.644 7.082
242 HA PRO 37 HA PRO 37 -5.702 -4.216 6.644
243 HB2 PRO 37 HB2 PRO 37 -8.304 -3.642 6.912
244 HB3 PRO 37 HB1 PRO 37 -7.209 -3.630 8.304
245 HG2 PRO 37 HG2 PRO 37 -8.331 -1.346 6.739
246 HG3 PRO 37 HG1 PRO 37 -8.024 -1.472 8.480
247 HD2 PRO 37 HD2 PRO 37 -6.367 -0.216 6.616
248 HD3 PRO 37 HD1 PRO 37 -5.897 -0.710 8.253
249 HA PRO 38 HA PRO 38 -6.508 -3.740 2.265
250 HB2 PRO 38 HB2 PRO 38 -6.552 -6.339 1.597
251 HB3 PRO 38 HB1 PRO 38 -5.050 -5.508 2.018
252 HG2 PRO 38 HG2 PRO 38 -6.758 -7.299 3.704
253 HG3 PRO 38 HG1 PRO 38 -4.992 -7.255 3.557
254 HD2 PRO 38 HD2 PRO 38 -6.364 -6.086 5.616
255 HD3 PRO 38 HD1 PRO 38 -4.791 -5.511 5.037
256 H VAL 39 HN VAL 39 -8.590 -5.170 4.557
257 HA VAL 39 HA VAL 39 -10.692 -5.524 2.529
258 HB VAL 39 HB VAL 39 -10.717 -6.574 5.360
259 HG11 VAL 39 HG11 VAL 39 -12.508 -8.030 4.541
260 HG12 VAL 39 HG12 VAL 39 -12.420 -7.242 2.966
261 HG13 VAL 39 HG13 VAL 39 -12.926 -6.324 4.385
262 HG21 VAL 39 HG21 VAL 39 -9.967 -8.014 2.821
263 HG22 VAL 39 HG22 VAL 39 -10.170 -8.763 4.402
264 HG23 VAL 39 HG23 VAL 39 -8.877 -7.595 4.140
265 H GLU 40 HN GLU 40 -9.820 -3.775 5.415
266 HA GLU 40 HA GLU 40 -12.544 -2.764 5.671
267 HB2 GLU 40 HB2 GLU 40 -11.230 -3.666 7.650
268 HB3 GLU 40 HB1 GLU 40 -10.245 -2.213 7.539
269 HG2 GLU 40 HG2 GLU 40 -11.954 -1.938 9.216
270 HG3 GLU 40 HG1 GLU 40 -12.248 -0.844 7.866
271 H ALA 41 HN ALA 41 -9.396 -1.722 4.639
272 HA ALA 41 HA ALA 41 -10.202 1.084 4.779
273 HB1 ALA 41 HB1 ALA 41 -7.907 1.612 4.184
274 HB2 ALA 41 HB2 ALA 41 -7.555 -0.100 3.947
275 HB3 ALA 41 HB3 ALA 41 -7.954 0.506 5.555
276 H GLU 42 HN GLU 42 -9.720 -1.478 2.486
277 HA GLU 42 HA GLU 42 -10.719 0.257 0.369
278 HB2 GLU 42 HB2 GLU 42 -8.000 -0.407 0.589
279 HB3 GLU 42 HB1 GLU 42 -8.634 -1.459 -0.669
280 HG2 GLU 42 HG2 GLU 42 -8.833 1.541 -0.594
281 HG3 GLU 42 HG1 GLU 42 -7.752 0.589 -1.611
282 H ARG 43 HN ARG 43 -11.557 -0.968 -1.468
283 HA ARG 43 HA ARG 43 -11.998 -3.815 -0.897
284 HB2 ARG 43 HB2 ARG 43 -14.093 -1.763 -1.581
285 HB3 ARG 43 HB1 ARG 43 -14.355 -3.481 -1.818
286 HG2 ARG 43 HG2 ARG 43 -13.637 -2.252 0.834
287 HG3 ARG 43 HG1 ARG 43 -15.291 -2.555 0.303
288 HD2 ARG 43 HD2 ARG 43 -14.565 -4.369 1.718
289 HD3 ARG 43 HD1 ARG 43 -14.731 -4.955 0.064
290 HE ARG 43 HE ARG 43 -12.069 -4.119 0.908
291 HH11 ARG 43 HH11 ARG 43 -14.311 -6.759 0.383
292 HH12 ARG 43 HH12 ARG 43 -13.066 -7.958 0.240
293 HH21 ARG 43 HH21 ARG 43 -10.418 -5.693 0.717
294 HH22 ARG 43 HH22 ARG 43 -10.849 -7.354 0.444
295 H THR 44 HN THR 44 -10.214 -2.390 -2.731
296 HA THR 44 HA THR 44 -9.305 -2.708 -4.771
297 HB THR 44 HB THR 44 -9.842 -4.776 -6.029
298 HG1 THR 44 HG1 THR 44 -12.106 -4.686 -4.524
299 HG21 THR 44 HG21 THR 44 -9.517 -5.181 -3.060
300 HG22 THR 44 HG22 THR 44 -8.220 -4.864 -4.211
301 HG23 THR 44 HG23 THR 44 -9.135 -6.367 -4.306
302 HA PRO 45 HA PRO 45 -9.151 -3.744 -7.267
303 HB2 PRO 45 HB2 PRO 45 -8.268 -2.095 -9.247
304 HB3 PRO 45 HB1 PRO 45 -9.497 -3.344 -9.486
305 HG2 PRO 45 HG2 PRO 45 -9.837 -0.399 -9.061
306 HG3 PRO 45 HG1 PRO 45 -10.689 -1.482 -10.185
307 HD2 PRO 45 HD2 PRO 45 -11.790 -0.674 -7.850
308 HD3 PRO 45 HD1 PRO 45 -12.110 -2.277 -8.543
309 H TRP 46 HN TRP 46 -8.864 -0.163 -7.335
310 HA TRP 46 HA TRP 46 -6.627 -0.318 -5.496
311 HB2 TRP 46 HB2 TRP 46 -5.588 -0.784 -7.697
312 HB3 TRP 46 HB1 TRP 46 -6.245 0.726 -8.313
313 HD1 TRP 46 HD1 TRP 46 -3.484 -0.638 -6.065
314 HE1 TRP 46 HE1 TRP 46 -1.768 1.227 -5.627
315 HE3 TRP 46 HE3 TRP 46 -6.003 3.293 -8.158
316 HZ2 TRP 46 HZ2 TRP 46 -1.517 4.000 -6.103
317 HZ3 TRP 46 HZ3 TRP 46 -4.951 5.516 -8.125
318 HH2 TRP 46 HH2 TRP 46 -2.756 5.862 -7.120
319 H ASN 47 HN ASN 47 -6.970 1.251 -4.116
320 HA ASN 47 HA ASN 47 -7.309 3.968 -5.113
321 HB2 ASN 47 HB2 ASN 47 -9.179 2.605 -3.182
322 HB3 ASN 47 HB1 ASN 47 -8.908 4.339 -3.080
323 HD21 ASN 47 HD21 ASN 47 -8.685 4.833 -5.875
324 HD22 ASN 47 HD22 ASN 47 -10.255 4.611 -6.566
325 H CYS 48 HN CYS 48 -5.985 5.335 -4.031
326 HA CYS 48 HA CYS 48 -4.261 4.254 -2.002
327 HB2 CYS 48 HB2 CYS 48 -3.393 5.831 -3.665
328 HB3 CYS 48 HB1 CYS 48 -4.512 7.060 -3.095
329 H ILE 49 HN ILE 49 -5.094 3.944 -0.062
330 HA ILE 49 HA ILE 49 -7.374 5.190 0.957
331 HB ILE 49 HB ILE 49 -6.684 4.251 3.171
332 HG12 ILE 49 HG12 ILE 49 -4.278 3.286 1.600
333 HG13 ILE 49 HG11 ILE 49 -4.255 4.430 2.935
334 HG21 ILE 49 HG21 ILE 49 -6.647 2.435 0.767
335 HG22 ILE 49 HG22 ILE 49 -8.051 2.940 1.706
336 HG23 ILE 49 HG23 ILE 49 -6.839 1.881 2.427
337 HD11 ILE 49 HD11 ILE 49 -3.531 2.263 3.682
338 HD12 ILE 49 HD12 ILE 49 -5.012 1.524 3.074
339 HD13 ILE 49 HD13 ILE 49 -5.082 2.656 4.425
340 H PHE 50 HN PHE 50 -4.003 6.115 1.212
341 HA PHE 50 HA PHE 50 -4.474 8.052 3.262
342 HB2 PHE 50 HB2 PHE 50 -2.138 7.434 1.483
343 HB3 PHE 50 HB1 PHE 50 -2.153 8.907 2.452
344 HD1 PHE 50 HD2 PHE 50 -2.115 5.232 2.574
345 HD2 PHE 50 HD1 PHE 50 -1.923 8.840 4.826
346 HE1 PHE 50 HE2 PHE 50 -1.376 3.963 4.543
347 HE2 PHE 50 HE1 PHE 50 -1.184 7.577 6.797
348 HZ PHE 50 HZ PHE 50 -0.911 5.139 6.661
349 H CYS 51 HN CYS 51 -4.136 8.257 -0.287
350 HA CYS 51 HA CYS 51 -4.447 11.084 -0.329
351 HB2 CYS 51 HB2 CYS 51 -4.639 8.967 -2.447
352 HB3 CYS 51 HB1 CYS 51 -5.117 10.624 -2.799
353 H ARG 52 HN ARG 52 -6.699 8.415 -0.260
354 HA ARG 52 HA ARG 52 -9.040 9.842 -0.906
355 HB2 ARG 52 HB2 ARG 52 -8.606 7.442 0.880
356 HB3 ARG 52 HB1 ARG 52 -10.198 8.074 0.485
357 HG2 ARG 52 HG2 ARG 52 -8.209 7.131 -1.568
358 HG3 ARG 52 HG1 ARG 52 -9.480 6.119 -0.880
359 HD2 ARG 52 HD2 ARG 52 -9.965 8.718 -2.333
360 HD3 ARG 52 HD1 ARG 52 -10.075 7.123 -3.078
361 HE ARG 52 HE ARG 52 -11.823 6.714 -1.254
362 HH11 ARG 52 HH11 ARG 52 -11.256 9.852 -2.725
363 HH12 ARG 52 HH12 ARG 52 -12.903 10.368 -2.513
364 HH21 ARG 52 HH21 ARG 52 -13.971 7.411 -0.978
365 HH22 ARG 52 HH22 ARG 52 -14.441 8.990 -1.531
366 H MET 53 HN MET 53 -7.106 9.646 1.975
367 HA MET 53 HA MET 53 -9.041 11.059 3.597
368 HB2 MET 53 HB2 MET 53 -6.170 10.312 4.190
369 HB3 MET 53 HB1 MET 53 -7.305 10.994 5.347
370 HG2 MET 53 HG2 MET 53 -7.524 8.320 3.986
371 HG3 MET 53 HG1 MET 53 -7.106 8.616 5.673
372 HE1 MET 53 HE1 MET 53 -10.657 6.980 5.882
373 HE2 MET 53 HE2 MET 53 -8.968 6.869 6.378
374 HE3 MET 53 HE3 MET 53 -9.410 6.619 4.689
375 H LYS 54 HN LYS 54 -6.725 11.871 1.317
376 HA LYS 54 HA LYS 54 -6.171 14.491 2.474
377 HB2 LYS 54 HB2 LYS 54 -5.213 13.290 -0.133
378 HB3 LYS 54 HB1 LYS 54 -4.699 14.834 0.527
379 HG2 LYS 54 HG2 LYS 54 -4.175 12.103 1.681
380 HG3 LYS 54 HG1 LYS 54 -3.001 13.200 0.951
381 HD2 LYS 54 HD2 LYS 54 -4.551 13.687 3.498
382 HD3 LYS 54 HD1 LYS 54 -2.851 13.237 3.389
383 HE2 LYS 54 HE2 LYS 54 -2.352 15.325 2.241
384 HE3 LYS 54 HE1 LYS 54 -4.057 15.768 2.271
385 HZ1 LYS 54 HZ1 LYS 54 -2.854 16.873 4.032
386 HZ2 LYS 54 HZ2 LYS 54 -2.314 15.393 4.645
387 HZ3 LYS 54 HZ3 LYS 54 -3.958 15.776 4.696
388 H GLU 55 HN GLU 55 -8.349 12.998 0.340
389 HA GLU 55 HA GLU 55 -8.970 15.324 -1.215
390 HB2 GLU 55 HB2 GLU 55 -10.522 12.759 -0.822
391 HB3 GLU 55 HB1 GLU 55 -10.931 14.013 -1.982
392 HG2 GLU 55 HG2 GLU 55 -8.760 13.649 -3.093
393 HG3 GLU 55 HG1 GLU 55 -8.434 12.333 -1.966
394 H SER 56 HN SER 56 -9.148 16.750 0.640
395 HA SER 56 HA SER 56 -11.577 16.486 2.227
396 HB2 SER 56 HB2 SER 56 -9.425 18.612 2.386
397 HB3 SER 56 HB1 SER 56 -10.684 18.290 3.575
398 HG SER 56 HG SER 56 -9.719 16.153 3.776
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 20.912 0.810 -1.578
2 H2 GLY 1 HT2 GLY 1 21.178 0.596 -3.231
3 H3 GLY 1 HT3 GLY 1 19.847 1.492 -2.697
4 HA2 GLY 1 HA1 GLY 1 22.693 2.245 -2.342
5 HA3 GLY 1 HA2 GLY 1 21.587 2.954 -3.511
6 H ALA 2 HN ALA 2 22.914 4.514 -1.639
7 HA ALA 2 HA ALA 2 21.173 4.955 0.635
8 HB1 ALA 2 HB1 ALA 2 22.775 6.673 1.279
9 HB2 ALA 2 HB2 ALA 2 23.594 6.516 -0.275
10 HB3 ALA 2 HB3 ALA 2 23.608 5.173 0.869
11 H MET 3 HN MET 3 20.894 5.722 -2.517
12 HA MET 3 HA MET 3 20.018 8.447 -2.330
13 HB2 MET 3 HB2 MET 3 20.848 7.443 -4.440
14 HB3 MET 3 HB1 MET 3 19.451 6.378 -4.465
15 HG2 MET 3 HG2 MET 3 19.072 8.197 -5.971
16 HG3 MET 3 HG1 MET 3 17.985 8.361 -4.594
17 HE1 MET 3 HE1 MET 3 18.581 10.695 -6.668
18 HE2 MET 3 HE2 MET 3 18.764 12.074 -5.586
19 HE3 MET 3 HE3 MET 3 17.497 10.883 -5.292
20 H GLY 4 HN GLY 4 18.319 5.355 -2.823
21 HA2 GLY 4 HA2 GLY 4 15.929 6.593 -1.595
22 HA3 GLY 4 HA1 GLY 4 15.831 5.460 -2.938
23 H MET 5 HN MET 5 16.398 5.840 0.465
24 HA MET 5 HA MET 5 16.831 2.968 0.804
25 HB2 MET 5 HB2 MET 5 17.076 5.267 2.752
26 HB3 MET 5 HB1 MET 5 17.383 3.582 3.154
27 HG2 MET 5 HG2 MET 5 19.228 3.492 1.630
28 HG3 MET 5 HG1 MET 5 18.863 5.108 1.028
29 HE1 MET 5 HE1 MET 5 18.183 6.694 3.738
30 HE2 MET 5 HE2 MET 5 19.162 7.301 2.403
31 HE3 MET 5 HE3 MET 5 19.778 7.377 4.054
32 H ARG 6 HN ARG 6 14.362 3.333 -0.026
33 HA ARG 6 HA ARG 6 12.759 2.887 2.395
34 HB2 ARG 6 HB2 ARG 6 11.916 4.445 -0.054
35 HB3 ARG 6 HB1 ARG 6 10.806 3.905 1.195
36 HG2 ARG 6 HG2 ARG 6 13.073 5.855 1.522
37 HG3 ARG 6 HG1 ARG 6 11.348 6.223 1.529
38 HD2 ARG 6 HD2 ARG 6 12.912 4.654 3.570
39 HD3 ARG 6 HD1 ARG 6 12.099 6.198 3.793
40 HE ARG 6 HE ARG 6 10.020 4.697 3.180
41 HH11 ARG 6 HH11 ARG 6 12.744 3.927 5.246
42 HH12 ARG 6 HH12 ARG 6 11.824 2.893 6.290
43 HH21 ARG 6 HH21 ARG 6 8.808 3.319 4.556
44 HH22 ARG 6 HH22 ARG 6 9.591 2.546 5.898
45 H ASN 7 HN ASN 7 13.961 0.839 1.129
46 HA ASN 7 HA ASN 7 11.887 -0.362 -0.557
47 HB2 ASN 7 HB2 ASN 7 14.718 -1.267 -0.006
48 HB3 ASN 7 HB1 ASN 7 13.566 -2.158 -0.986
49 HD21 ASN 7 HD21 ASN 7 15.576 0.675 -0.792
50 HD22 ASN 7 HD22 ASN 7 15.457 1.115 -2.461
51 H LEU 8 HN LEU 8 10.350 -1.184 0.654
52 HA LEU 8 HA LEU 8 11.024 -2.625 3.104
53 HB2 LEU 8 HB2 LEU 8 8.361 -1.766 1.968
54 HB3 LEU 8 HB1 LEU 8 8.555 -2.648 3.464
55 HG LEU 8 HG LEU 8 8.201 -0.437 4.125
56 HD11 LEU 8 HD11 LEU 8 10.083 -1.459 5.281
57 HD12 LEU 8 HD12 LEU 8 10.266 0.290 5.154
58 HD13 LEU 8 HD13 LEU 8 11.189 -0.772 4.092
59 HD21 LEU 8 HD21 LEU 8 10.194 0.443 2.047
60 HD22 LEU 8 HD22 LEU 8 9.377 1.498 3.200
61 HD23 LEU 8 HD23 LEU 8 8.444 0.643 1.972
62 H ASP 9 HN ASP 9 11.932 -4.510 2.106
63 HA ASP 9 HA ASP 9 10.266 -5.937 0.193
64 HB2 ASP 9 HB2 ASP 9 12.225 -7.236 -0.295
65 HB3 ASP 9 HB1 ASP 9 12.723 -5.549 -0.226
66 H GLU 10 HN GLU 10 10.776 -5.798 3.469
67 HA GLU 10 HA GLU 10 10.475 -8.651 3.934
68 HB2 GLU 10 HB2 GLU 10 10.668 -6.374 5.907
69 HB3 GLU 10 HB1 GLU 10 10.650 -8.081 6.320
70 HG2 GLU 10 HG2 GLU 10 12.733 -8.374 5.028
71 HG3 GLU 10 HG1 GLU 10 12.762 -6.635 4.742
72 H CYS 11 HN CYS 11 8.558 -6.107 3.202
73 HA CYS 11 HA CYS 11 6.204 -6.561 4.635
74 HB2 CYS 11 HB2 CYS 11 6.511 -4.636 3.171
75 HB3 CYS 11 HB1 CYS 11 6.662 -5.686 1.776
76 H GLU 12 HN GLU 12 5.641 -8.633 4.960
77 HA GLU 12 HA GLU 12 6.173 -10.726 3.161
78 HB2 GLU 12 HB2 GLU 12 4.574 -10.496 5.669
79 HB3 GLU 12 HB1 GLU 12 4.484 -11.963 4.704
80 HG2 GLU 12 HG2 GLU 12 6.986 -10.765 5.868
81 HG3 GLU 12 HG1 GLU 12 6.124 -12.177 6.482
82 H VAL 13 HN VAL 13 3.347 -8.716 3.655
83 HA VAL 13 HA VAL 13 1.557 -10.387 2.256
84 HB VAL 13 HB VAL 13 0.699 -8.701 3.752
85 HG11 VAL 13 HG11 VAL 13 2.458 -7.029 3.425
86 HG12 VAL 13 HG12 VAL 13 0.841 -6.340 3.309
87 HG13 VAL 13 HG13 VAL 13 1.777 -6.644 1.846
88 HG21 VAL 13 HG21 VAL 13 -0.051 -8.060 0.910
89 HG22 VAL 13 HG22 VAL 13 -1.009 -7.687 2.343
90 HG23 VAL 13 HG23 VAL 13 -0.724 -9.367 1.885
91 H CYS 14 HN CYS 14 3.735 -7.792 1.223
92 HA CYS 14 HA CYS 14 2.934 -7.683 -1.470
93 HB2 CYS 14 HB2 CYS 14 5.331 -6.905 0.062
94 HB3 CYS 14 HB1 CYS 14 5.611 -7.227 -1.643
95 H ARG 15 HN ARG 15 5.174 -9.749 0.240
96 HA ARG 15 HA ARG 15 6.191 -11.078 -2.057
97 HB2 ARG 15 HB2 ARG 15 6.190 -11.944 0.833
98 HB3 ARG 15 HB1 ARG 15 7.157 -12.666 -0.446
99 HG2 ARG 15 HG2 ARG 15 8.297 -10.504 -0.762
100 HG3 ARG 15 HG1 ARG 15 7.366 -9.846 0.583
101 HD2 ARG 15 HD2 ARG 15 9.500 -10.487 1.429
102 HD3 ARG 15 HD1 ARG 15 8.320 -11.658 2.017
103 HE ARG 15 HE ARG 15 9.813 -12.322 -0.411
104 HH11 ARG 15 HH11 ARG 15 9.268 -12.848 3.016
105 HH12 ARG 15 HH12 ARG 15 10.204 -14.310 3.060
106 HH21 ARG 15 HH21 ARG 15 11.027 -14.246 -0.355
107 HH22 ARG 15 HH22 ARG 15 11.190 -15.116 1.139
108 H ASP 16 HN ASP 16 3.583 -11.719 0.201
109 HA ASP 16 HA ASP 16 2.896 -14.258 -0.901
110 HB2 ASP 16 HB2 ASP 16 1.585 -12.362 1.008
111 HB3 ASP 16 HB1 ASP 16 0.647 -13.687 0.328
112 H GLY 17 HN GLY 17 2.634 -11.231 -2.202
113 HA2 GLY 17 HA2 GLY 17 1.744 -10.736 -4.304
114 HA3 GLY 17 HA1 GLY 17 0.814 -12.227 -4.233
115 H GLY 18 HN GLY 18 0.675 -10.187 -1.502
116 HA2 GLY 18 HA2 GLY 18 -2.117 -9.808 -1.677
117 HA3 GLY 18 HA1 GLY 18 -1.038 -8.996 -0.557
118 H GLU 19 HN GLU 19 -2.961 -7.455 -1.238
119 HA GLU 19 HA GLU 19 -2.371 -6.047 -3.722
120 HB2 GLU 19 HB2 GLU 19 -4.667 -5.752 -1.782
121 HB3 GLU 19 HB1 GLU 19 -4.544 -4.971 -3.356
122 HG2 GLU 19 HG2 GLU 19 -4.686 -7.050 -4.491
123 HG3 GLU 19 HG1 GLU 19 -4.515 -7.951 -2.987
124 H LEU 20 HN LEU 20 -1.868 -3.891 -3.833
125 HA LEU 20 HA LEU 20 -0.971 -2.652 -1.312
126 HB2 LEU 20 HB2 LEU 20 0.703 -3.311 -3.174
127 HB3 LEU 20 HB1 LEU 20 0.042 -1.957 -4.064
128 HG LEU 20 HG LEU 20 1.265 -1.644 -1.321
129 HD11 LEU 20 HD11 LEU 20 3.297 -0.889 -2.478
130 HD12 LEU 20 HD12 LEU 20 2.588 -1.368 -4.020
131 HD13 LEU 20 HD13 LEU 20 2.951 -2.589 -2.801
132 HD21 LEU 20 HD21 LEU 20 1.468 0.679 -1.940
133 HD22 LEU 20 HD22 LEU 20 -0.211 0.175 -2.145
134 HD23 LEU 20 HD23 LEU 20 0.838 0.346 -3.552
135 H PHE 21 HN PHE 21 -1.909 -0.752 -0.746
136 HA PHE 21 HA PHE 21 -3.780 0.418 -2.710
137 HB2 PHE 21 HB2 PHE 21 -4.030 0.422 0.312
138 HB3 PHE 21 HB1 PHE 21 -5.229 1.004 -0.842
139 HD1 PHE 21 HD2 PHE 21 -5.660 -0.943 -2.767
140 HD2 PHE 21 HD1 PHE 21 -4.620 -1.551 1.319
141 HE1 PHE 21 HE2 PHE 21 -6.665 -3.187 -2.844
142 HE2 PHE 21 HE1 PHE 21 -5.621 -3.793 1.241
143 HZ PHE 21 HZ PHE 21 -6.646 -4.612 -0.838
144 H CYS 22 HN CYS 22 -1.402 1.492 -3.036
145 HA CYS 22 HA CYS 22 -1.719 4.192 -2.055
146 HB2 CYS 22 HB2 CYS 22 0.375 2.377 -0.997
147 HB3 CYS 22 HB1 CYS 22 0.877 4.018 -1.393
148 H CYS 23 HN CYS 23 -0.208 5.704 -3.030
149 HA CYS 23 HA CYS 23 0.497 5.011 -5.745
150 HB2 CYS 23 HB2 CYS 23 1.181 7.601 -4.346
151 HB3 CYS 23 HB1 CYS 23 0.896 7.333 -6.067
152 H ASP 24 HN ASP 24 2.790 5.919 -6.472
153 HA ASP 24 HA ASP 24 4.766 4.335 -5.314
154 HB2 ASP 24 HB2 ASP 24 5.064 6.853 -6.964
155 HB3 ASP 24 HB1 ASP 24 6.383 5.752 -6.584
156 H THR 25 HN THR 25 4.205 7.813 -4.919
157 HA THR 25 HA THR 25 6.266 8.293 -3.072
158 HB THR 25 HB THR 25 3.633 9.767 -3.201
159 HG1 THR 25 HG1 THR 25 5.778 9.649 -4.990
160 HG21 THR 25 HG21 THR 25 5.089 10.387 -1.332
161 HG22 THR 25 HG22 THR 25 4.979 11.694 -2.510
162 HG23 THR 25 HG23 THR 25 6.416 10.674 -2.459
163 H CYS 26 HN CYS 26 2.828 7.609 -2.580
164 HA CYS 26 HA CYS 26 2.851 7.836 0.223
165 HB2 CYS 26 HB2 CYS 26 0.921 6.255 -1.485
166 HB3 CYS 26 HB1 CYS 26 0.609 6.939 0.108
167 H SER 27 HN SER 27 3.384 5.118 -1.927
168 HA SER 27 HA SER 27 3.260 3.093 0.062
169 HB2 SER 27 HB2 SER 27 2.969 2.687 -2.378
170 HB3 SER 27 HB1 SER 27 4.684 3.023 -2.610
171 HG SER 27 HG SER 27 5.085 1.054 -2.031
172 H ARG 28 HN ARG 28 5.816 5.191 -1.103
173 HA ARG 28 HA ARG 28 7.980 3.695 -0.034
174 HB2 ARG 28 HB2 ARG 28 7.674 6.528 -0.968
175 HB3 ARG 28 HB1 ARG 28 9.174 5.971 -0.240
176 HG2 ARG 28 HG2 ARG 28 9.419 4.291 -1.968
177 HG3 ARG 28 HG1 ARG 28 7.875 4.770 -2.677
178 HD2 ARG 28 HD2 ARG 28 9.776 5.736 -3.887
179 HD3 ARG 28 HD1 ARG 28 8.754 6.976 -3.161
180 HE ARG 28 HE ARG 28 10.459 7.159 -1.387
181 HH11 ARG 28 HH11 ARG 28 11.398 5.672 -4.420
182 HH12 ARG 28 HH12 ARG 28 13.063 6.131 -4.280
183 HH21 ARG 28 HH21 ARG 28 12.652 7.777 -1.203
184 HH22 ARG 28 HH22 ARG 28 13.770 7.358 -2.464
185 H VAL 29 HN VAL 29 5.782 6.000 1.320
186 HA VAL 29 HA VAL 29 7.541 6.387 3.618
187 HB VAL 29 HB VAL 29 5.958 8.231 4.248
188 HG11 VAL 29 HG11 VAL 29 8.075 8.685 3.159
189 HG12 VAL 29 HG12 VAL 29 6.835 9.772 2.533
190 HG13 VAL 29 HG13 VAL 29 7.353 8.383 1.578
191 HG21 VAL 29 HG21 VAL 29 4.896 7.761 1.464
192 HG22 VAL 29 HG22 VAL 29 4.468 9.098 2.531
193 HG23 VAL 29 HG23 VAL 29 4.020 7.448 2.959
194 H PHE 30 HN PHE 30 4.265 5.240 2.855
195 HA PHE 30 HA PHE 30 4.101 4.319 5.658
196 HB2 PHE 30 HB2 PHE 30 1.725 5.195 4.003
197 HB3 PHE 30 HB1 PHE 30 1.731 4.749 5.704
198 HD1 PHE 30 HD2 PHE 30 3.764 6.239 6.959
199 HD2 PHE 30 HD1 PHE 30 1.270 7.434 3.717
200 HE1 PHE 30 HE2 PHE 30 4.091 8.598 7.575
201 HE2 PHE 30 HE1 PHE 30 1.606 9.793 4.328
202 HZ PHE 30 HZ PHE 30 2.943 10.382 6.264
203 H HIS 31 HN HIS 31 5.181 2.720 3.729
204 HA HIS 31 HA HIS 31 3.571 1.245 2.067
205 HB2 HIS 31 HB2 HIS 31 6.094 1.200 2.253
206 HB3 HIS 31 HB1 HIS 31 5.891 0.068 3.583
207 HD1 HIS 31 HD1 HIS 31 4.472 0.207 0.015
208 HD2 HIS 31 HD2 HIS 31 6.301 -2.407 2.684
209 HE1 HIS 31 HE1 HIS 31 4.693 -2.011 -1.191
210 H GLU 32 HN GLU 32 4.161 0.638 5.521
211 HA GLU 32 HA GLU 32 3.030 -1.969 5.494
212 HB2 GLU 32 HB2 GLU 32 3.296 -0.088 7.848
213 HB3 GLU 32 HB1 GLU 32 2.962 -1.809 7.941
214 HG2 GLU 32 HG2 GLU 32 5.211 -1.694 8.427
215 HG3 GLU 32 HG1 GLU 32 5.211 -2.078 6.706
216 H ASP 33 HN ASP 33 1.781 1.208 6.390
217 HA ASP 33 HA ASP 33 -0.802 0.300 7.144
218 HB2 ASP 33 HB2 ASP 33 0.223 3.028 6.359
219 HB3 ASP 33 HB1 ASP 33 -1.422 2.739 6.915
220 H CYS 34 HN CYS 34 0.705 1.073 4.155
221 HA CYS 34 HA CYS 34 -1.649 1.528 2.618
222 HB2 CYS 34 HB2 CYS 34 1.186 0.813 1.862
223 HB3 CYS 34 HB1 CYS 34 -0.072 1.151 0.674
224 H HIS 35 HN HIS 35 -0.467 -1.257 4.037
225 HA HIS 35 HA HIS 35 -1.934 -2.947 2.110
226 HB2 HIS 35 HB2 HIS 35 0.277 -3.693 4.034
227 HB3 HIS 35 HB1 HIS 35 -0.659 -4.857 3.103
228 HD1 HIS 35 HD1 HIS 35 -0.077 -5.092 0.578
229 HD2 HIS 35 HD2 HIS 35 2.104 -2.184 2.588
230 HE1 HIS 35 HE1 HIS 35 1.855 -4.472 -0.936
231 H ILE 36 HN ILE 36 -2.674 -1.311 4.663
232 HA ILE 36 HA ILE 36 -4.020 -3.533 6.045
233 HB ILE 36 HB ILE 36 -2.882 -1.052 7.337
234 HG12 ILE 36 HG12 ILE 36 -2.027 -3.948 7.547
235 HG13 ILE 36 HG11 ILE 36 -1.159 -2.687 6.681
236 HG21 ILE 36 HG21 ILE 36 -4.936 -1.776 8.420
237 HG22 ILE 36 HG22 ILE 36 -3.545 -2.103 9.453
238 HG23 ILE 36 HG23 ILE 36 -4.305 -3.416 8.555
239 HD11 ILE 36 HD11 ILE 36 -0.775 -1.508 8.781
240 HD12 ILE 36 HD12 ILE 36 -0.139 -3.151 8.835
241 HD13 ILE 36 HD13 ILE 36 -1.655 -2.765 9.648
242 HA PRO 37 HA PRO 37 -5.570 -4.304 6.426
243 HB2 PRO 37 HB2 PRO 37 -8.124 -5.016 6.036
244 HB3 PRO 37 HB1 PRO 37 -7.606 -4.228 7.535
245 HG2 PRO 37 HG2 PRO 37 -9.042 -3.083 5.183
246 HG3 PRO 37 HG1 PRO 37 -9.264 -2.742 6.907
247 HD2 PRO 37 HD2 PRO 37 -7.817 -1.168 5.132
248 HD3 PRO 37 HD1 PRO 37 -7.655 -1.130 6.899
249 HA PRO 38 HA PRO 38 -5.295 -5.542 2.157
250 HB2 PRO 38 HB2 PRO 38 -5.591 -8.338 2.887
251 HB3 PRO 38 HB1 PRO 38 -4.144 -7.480 2.359
252 HG2 PRO 38 HG2 PRO 38 -4.468 -8.412 4.893
253 HG3 PRO 38 HG1 PRO 38 -3.494 -6.981 4.502
254 HD2 PRO 38 HD2 PRO 38 -6.295 -7.136 5.574
255 HD3 PRO 38 HD1 PRO 38 -4.969 -6.043 6.034
256 H VAL 39 HN VAL 39 -7.767 -4.652 2.427
257 HA VAL 39 HA VAL 39 -9.538 -6.832 1.552
258 HB VAL 39 HB VAL 39 -11.430 -5.388 2.208
259 HG11 VAL 39 HG11 VAL 39 -9.404 -5.906 4.379
260 HG12 VAL 39 HG12 VAL 39 -10.618 -7.037 3.780
261 HG13 VAL 39 HG13 VAL 39 -11.117 -5.585 4.647
262 HG21 VAL 39 HG21 VAL 39 -10.991 -3.407 3.626
263 HG22 VAL 39 HG22 VAL 39 -10.431 -3.205 1.966
264 HG23 VAL 39 HG23 VAL 39 -9.274 -3.555 3.248
265 H GLU 40 HN GLU 40 -10.532 -6.711 -0.394
266 HA GLU 40 HA GLU 40 -9.559 -4.674 -2.220
267 HB2 GLU 40 HB2 GLU 40 -10.646 -6.061 -3.965
268 HB3 GLU 40 HB1 GLU 40 -9.504 -6.972 -2.986
269 HG2 GLU 40 HG2 GLU 40 -11.308 -7.957 -1.727
270 HG3 GLU 40 HG1 GLU 40 -12.487 -6.969 -2.588
271 H ALA 41 HN ALA 41 -12.223 -5.124 -0.248
272 HA ALA 41 HA ALA 41 -14.360 -4.109 -1.724
273 HB1 ALA 41 HB1 ALA 41 -13.788 -3.701 1.212
274 HB2 ALA 41 HB2 ALA 41 -14.614 -5.090 0.506
275 HB3 ALA 41 HB3 ALA 41 -15.349 -3.490 0.421
276 H GLU 42 HN GLU 42 -14.445 -2.291 -2.821
277 HA GLU 42 HA GLU 42 -14.335 -0.105 -3.413
278 HB2 GLU 42 HB2 GLU 42 -13.728 0.378 -0.492
279 HB3 GLU 42 HB1 GLU 42 -14.197 1.606 -1.659
280 HG2 GLU 42 HG2 GLU 42 -16.374 0.612 -1.903
281 HG3 GLU 42 HG1 GLU 42 -15.908 -0.741 -0.870
282 H ARG 43 HN ARG 43 -11.846 -1.903 -3.008
283 HA ARG 43 HA ARG 43 -9.876 0.254 -3.354
284 HB2 ARG 43 HB2 ARG 43 -9.452 -2.263 -1.734
285 HB3 ARG 43 HB1 ARG 43 -8.226 -1.056 -2.083
286 HG2 ARG 43 HG2 ARG 43 -9.490 0.603 -0.815
287 HG3 ARG 43 HG1 ARG 43 -10.725 -0.609 -0.464
288 HD2 ARG 43 HD2 ARG 43 -8.989 -1.987 0.642
289 HD3 ARG 43 HD1 ARG 43 -7.828 -0.687 0.370
290 HE ARG 43 HE ARG 43 -10.232 0.050 1.817
291 HH11 ARG 43 HH11 ARG 43 -6.908 -1.012 2.016
292 HH12 ARG 43 HH12 ARG 43 -6.673 -0.411 3.624
293 HH21 ARG 43 HH21 ARG 43 -9.938 0.834 3.943
294 HH22 ARG 43 HH22 ARG 43 -8.396 0.663 4.717
295 H THR 44 HN THR 44 -11.215 -1.189 -5.375
296 HA THR 44 HA THR 44 -8.966 -2.708 -6.491
297 HB THR 44 HB THR 44 -10.604 -4.344 -5.751
298 HG1 THR 44 HG1 THR 44 -10.066 -5.358 -7.511
299 HG21 THR 44 HG21 THR 44 -12.563 -2.850 -7.496
300 HG22 THR 44 HG22 THR 44 -12.607 -2.973 -5.737
301 HG23 THR 44 HG23 THR 44 -12.866 -4.407 -6.730
302 HA PRO 45 HA PRO 45 -8.339 -3.563 -8.256
303 HB2 PRO 45 HB2 PRO 45 -6.603 -2.944 -10.204
304 HB3 PRO 45 HB1 PRO 45 -8.182 -3.659 -10.575
305 HG2 PRO 45 HG2 PRO 45 -7.315 -0.794 -10.723
306 HG3 PRO 45 HG1 PRO 45 -8.290 -1.730 -11.879
307 HD2 PRO 45 HD2 PRO 45 -9.359 -0.010 -10.020
308 HD3 PRO 45 HD1 PRO 45 -10.224 -1.407 -10.691
309 H TRP 46 HN TRP 46 -7.983 -0.203 -7.981
310 HA TRP 46 HA TRP 46 -5.719 -0.487 -6.202
311 HB2 TRP 46 HB2 TRP 46 -4.612 -0.174 -8.384
312 HB3 TRP 46 HB1 TRP 46 -5.584 1.261 -8.681
313 HD1 TRP 46 HD1 TRP 46 -2.750 0.043 -6.359
314 HE1 TRP 46 HE1 TRP 46 -1.402 2.098 -5.589
315 HE3 TRP 46 HE3 TRP 46 -5.650 3.730 -8.407
316 HZ2 TRP 46 HZ2 TRP 46 -1.555 4.906 -5.822
317 HZ3 TRP 46 HZ3 TRP 46 -4.971 6.073 -8.088
318 HH2 TRP 46 HH2 TRP 46 -2.968 6.647 -6.823
319 H ASN 47 HN ASN 47 -5.775 1.054 -4.603
320 HA ASN 47 HA ASN 47 -7.255 3.499 -4.920
321 HB2 ASN 47 HB2 ASN 47 -9.073 1.879 -4.467
322 HB3 ASN 47 HB1 ASN 47 -8.264 1.406 -2.978
323 HD21 ASN 47 HD21 ASN 47 -10.126 3.842 -4.579
324 HD22 ASN 47 HD22 ASN 47 -10.501 4.772 -3.167
325 H CYS 48 HN CYS 48 -5.701 4.772 -4.102
326 HA CYS 48 HA CYS 48 -4.102 3.967 -1.852
327 HB2 CYS 48 HB2 CYS 48 -3.114 5.363 -3.597
328 HB3 CYS 48 HB1 CYS 48 -4.305 6.621 -3.291
329 H ILE 49 HN ILE 49 -5.143 3.810 0.009
330 HA ILE 49 HA ILE 49 -7.439 5.197 0.757
331 HB ILE 49 HB ILE 49 -6.863 4.502 3.112
332 HG12 ILE 49 HG12 ILE 49 -4.485 3.234 1.722
333 HG13 ILE 49 HG11 ILE 49 -4.420 4.526 2.914
334 HG21 ILE 49 HG21 ILE 49 -7.174 2.096 2.635
335 HG22 ILE 49 HG22 ILE 49 -6.859 2.420 0.931
336 HG23 ILE 49 HG23 ILE 49 -8.265 3.132 1.719
337 HD11 ILE 49 HD11 ILE 49 -5.372 1.712 3.390
338 HD12 ILE 49 HD12 ILE 49 -5.338 3.002 4.594
339 HD13 ILE 49 HD13 ILE 49 -3.831 2.400 3.903
340 H PHE 50 HN PHE 50 -4.066 6.079 1.161
341 HA PHE 50 HA PHE 50 -4.585 8.150 3.044
342 HB2 PHE 50 HB2 PHE 50 -2.214 7.483 1.315
343 HB3 PHE 50 HB1 PHE 50 -2.251 8.956 2.285
344 HD1 PHE 50 HD1 PHE 50 -2.183 8.853 4.713
345 HD2 PHE 50 HD2 PHE 50 -2.078 5.306 2.354
346 HE1 PHE 50 HE1 PHE 50 -1.416 7.575 6.667
347 HE2 PHE 50 HE2 PHE 50 -1.321 4.026 4.308
348 HZ PHE 50 HZ PHE 50 -1.074 5.179 6.511
349 H CYS 51 HN CYS 51 -4.294 8.091 -0.484
350 HA CYS 51 HA CYS 51 -4.605 10.936 -0.690
351 HB2 CYS 51 HB2 CYS 51 -4.578 8.707 -2.706
352 HB3 CYS 51 HB1 CYS 51 -5.019 10.349 -3.170
353 H ARG 52 HN ARG 52 -6.768 8.194 -0.650
354 HA ARG 52 HA ARG 52 -9.017 9.680 -1.644
355 HB2 ARG 52 HB2 ARG 52 -8.867 7.001 -0.253
356 HB3 ARG 52 HB1 ARG 52 -10.331 7.683 -0.944
357 HG2 ARG 52 HG2 ARG 52 -7.830 7.012 -2.479
358 HG3 ARG 52 HG1 ARG 52 -9.293 6.025 -2.414
359 HD2 ARG 52 HD2 ARG 52 -10.572 7.813 -3.441
360 HD3 ARG 52 HD1 ARG 52 -9.153 8.857 -3.446
361 HE ARG 52 HE ARG 52 -8.746 6.389 -4.849
362 HH11 ARG 52 HH11 ARG 52 -9.980 9.651 -5.106
363 HH12 ARG 52 HH12 ARG 52 -9.766 9.736 -6.826
364 HH21 ARG 52 HH21 ARG 52 -8.480 6.492 -7.122
365 HH22 ARG 52 HH22 ARG 52 -8.905 7.944 -7.971
366 H MET 53 HN MET 53 -7.654 8.942 1.475
367 HA MET 53 HA MET 53 -9.887 10.358 2.776
368 HB2 MET 53 HB2 MET 53 -7.801 8.590 4.078
369 HB3 MET 53 HB1 MET 53 -9.233 9.262 4.843
370 HG2 MET 53 HG2 MET 53 -10.667 7.874 3.524
371 HG3 MET 53 HG1 MET 53 -9.305 7.304 2.561
372 HE1 MET 53 HE1 MET 53 -9.733 4.764 2.902
373 HE2 MET 53 HE2 MET 53 -11.242 5.225 3.689
374 HE3 MET 53 HE3 MET 53 -10.172 4.048 4.453
375 H LYS 54 HN LYS 54 -7.752 11.671 1.351
376 HA LYS 54 HA LYS 54 -5.790 12.592 3.220
377 HB2 LYS 54 HB2 LYS 54 -5.377 12.520 0.773
378 HB3 LYS 54 HB1 LYS 54 -6.572 13.791 0.555
379 HG2 LYS 54 HG2 LYS 54 -5.182 15.272 1.985
380 HG3 LYS 54 HG1 LYS 54 -3.958 14.002 2.035
381 HD2 LYS 54 HD2 LYS 54 -3.368 15.618 0.343
382 HD3 LYS 54 HD1 LYS 54 -3.809 14.093 -0.429
383 HE2 LYS 54 HE2 LYS 54 -6.020 14.976 -0.947
384 HE3 LYS 54 HE1 LYS 54 -5.630 16.484 -0.122
385 HZ1 LYS 54 HZ1 LYS 54 -3.862 16.848 -1.750
386 HZ2 LYS 54 HZ2 LYS 54 -5.378 16.728 -2.492
387 HZ3 LYS 54 HZ3 LYS 54 -4.302 15.427 -2.557
388 H GLU 55 HN GLU 55 -8.678 14.027 1.752
389 HA GLU 55 HA GLU 55 -9.363 15.441 4.106
390 HB2 GLU 55 HB2 GLU 55 -7.492 16.885 3.324
391 HB3 GLU 55 HB1 GLU 55 -8.355 17.138 1.813
392 HG2 GLU 55 HG2 GLU 55 -10.246 18.076 3.188
393 HG3 GLU 55 HG1 GLU 55 -9.145 18.040 4.563
394 H SER 56 HN SER 56 -11.513 15.683 4.053
395 HA SER 56 HA SER 56 -12.881 16.547 1.701
396 HB2 SER 56 HB2 SER 56 -12.535 14.004 1.408
397 HB3 SER 56 HB1 SER 56 -13.711 13.827 2.708
398 HG SER 56 HG SER 56 -14.569 15.578 0.816
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 19.442 -4.877 -0.163
2 H2 GLY 1 HT2 GLY 1 19.701 -5.732 1.269
3 H3 GLY 1 HT3 GLY 1 19.705 -6.548 -0.212
4 HA2 GLY 1 HA1 GLY 1 21.952 -6.258 0.589
5 HA3 GLY 1 HA2 GLY 1 21.687 -5.360 -0.899
6 H ALA 2 HN ALA 2 23.651 -4.229 -0.021
7 HA ALA 2 HA ALA 2 22.903 -2.213 1.997
8 HB1 ALA 2 HB1 ALA 2 25.665 -3.097 1.164
9 HB2 ALA 2 HB2 ALA 2 24.809 -3.639 2.607
10 HB3 ALA 2 HB3 ALA 2 25.275 -1.946 2.440
11 H MET 3 HN MET 3 22.717 -2.419 -1.134
12 HA MET 3 HA MET 3 24.184 -0.055 -1.939
13 HB2 MET 3 HB2 MET 3 23.884 -1.876 -3.540
14 HB3 MET 3 HB1 MET 3 22.138 -1.733 -3.408
15 HG2 MET 3 HG2 MET 3 22.931 -0.720 -5.455
16 HG3 MET 3 HG1 MET 3 22.240 0.499 -4.386
17 HE1 MET 3 HE1 MET 3 23.359 2.369 -5.891
18 HE2 MET 3 HE2 MET 3 24.102 1.150 -6.927
19 HE3 MET 3 HE3 MET 3 25.085 2.445 -6.244
20 H GLY 4 HN GLY 4 20.980 -0.923 -0.917
21 HA2 GLY 4 HA2 GLY 4 20.319 1.854 -0.524
22 HA3 GLY 4 HA1 GLY 4 19.356 1.068 -1.770
23 H MET 5 HN MET 5 18.497 2.151 0.795
24 HA MET 5 HA MET 5 17.925 -0.090 2.500
25 HB2 MET 5 HB2 MET 5 18.210 2.248 3.345
26 HB3 MET 5 HB1 MET 5 16.706 2.675 2.543
27 HG2 MET 5 HG2 MET 5 15.513 1.044 3.931
28 HG3 MET 5 HG1 MET 5 17.023 0.655 4.753
29 HE1 MET 5 HE1 MET 5 15.035 2.618 7.493
30 HE2 MET 5 HE2 MET 5 15.927 1.144 7.121
31 HE3 MET 5 HE3 MET 5 14.401 1.479 6.304
32 H ARG 6 HN ARG 6 16.930 -1.446 0.902
33 HA ARG 6 HA ARG 6 14.134 -0.700 0.350
34 HB2 ARG 6 HB2 ARG 6 15.964 -2.360 -1.387
35 HB3 ARG 6 HB1 ARG 6 14.271 -2.034 -1.714
36 HG2 ARG 6 HG2 ARG 6 14.798 0.370 -1.890
37 HG3 ARG 6 HG1 ARG 6 16.506 -0.018 -1.652
38 HD2 ARG 6 HD2 ARG 6 16.422 -1.464 -3.644
39 HD3 ARG 6 HD1 ARG 6 14.743 -0.995 -3.894
40 HE ARG 6 HE ARG 6 16.435 1.285 -3.769
41 HH11 ARG 6 HH11 ARG 6 15.499 -1.361 -5.846
42 HH12 ARG 6 HH12 ARG 6 15.822 -0.504 -7.318
43 HH21 ARG 6 HH21 ARG 6 16.880 2.431 -5.703
44 HH22 ARG 6 HH22 ARG 6 16.609 1.660 -7.236
45 H ASN 7 HN ASN 7 15.834 -2.507 2.322
46 HA ASN 7 HA ASN 7 14.576 -5.073 1.895
47 HB2 ASN 7 HB2 ASN 7 16.879 -4.880 2.853
48 HB3 ASN 7 HB1 ASN 7 16.178 -4.152 4.292
49 HD21 ASN 7 HD21 ASN 7 14.789 -6.809 2.433
50 HD22 ASN 7 HD22 ASN 7 14.943 -7.994 3.684
51 H LEU 8 HN LEU 8 12.456 -4.043 1.896
52 HA LEU 8 HA LEU 8 11.378 -3.689 4.610
53 HB2 LEU 8 HB2 LEU 8 10.209 -2.834 1.958
54 HB3 LEU 8 HB1 LEU 8 9.503 -2.526 3.533
55 HG LEU 8 HG LEU 8 12.153 -1.418 2.600
56 HD11 LEU 8 HD11 LEU 8 10.321 -0.484 1.308
57 HD12 LEU 8 HD12 LEU 8 10.977 0.716 2.420
58 HD13 LEU 8 HD13 LEU 8 9.456 -0.091 2.795
59 HD21 LEU 8 HD21 LEU 8 10.480 -0.828 5.038
60 HD22 LEU 8 HD22 LEU 8 11.942 0.037 4.564
61 HD23 LEU 8 HD23 LEU 8 12.031 -1.667 5.012
62 H ASP 9 HN ASP 9 11.980 -6.230 3.586
63 HA ASP 9 HA ASP 9 9.579 -7.331 2.405
64 HB2 ASP 9 HB2 ASP 9 12.191 -8.651 3.154
65 HB3 ASP 9 HB1 ASP 9 10.869 -9.434 2.295
66 H GLU 10 HN GLU 10 10.012 -6.355 5.296
67 HA GLU 10 HA GLU 10 9.322 -8.580 6.926
68 HB2 GLU 10 HB2 GLU 10 10.209 -6.391 7.761
69 HB3 GLU 10 HB1 GLU 10 8.678 -5.651 7.326
70 HG2 GLU 10 HG2 GLU 10 8.754 -6.105 9.688
71 HG3 GLU 10 HG1 GLU 10 7.529 -7.105 8.912
72 H CYS 11 HN CYS 11 7.684 -6.383 4.842
73 HA CYS 11 HA CYS 11 5.009 -6.997 5.500
74 HB2 CYS 11 HB2 CYS 11 5.749 -4.995 4.256
75 HB3 CYS 11 HB1 CYS 11 6.216 -6.017 2.911
76 H GLU 12 HN GLU 12 4.585 -9.153 5.570
77 HA GLU 12 HA GLU 12 5.575 -11.075 3.761
78 HB2 GLU 12 HB2 GLU 12 3.281 -11.107 5.698
79 HB3 GLU 12 HB1 GLU 12 3.715 -12.508 4.729
80 HG2 GLU 12 HG2 GLU 12 5.606 -11.103 6.597
81 HG3 GLU 12 HG1 GLU 12 4.638 -12.508 7.041
82 H VAL 13 HN VAL 13 2.706 -9.086 3.754
83 HA VAL 13 HA VAL 13 1.245 -10.614 1.893
84 HB VAL 13 HB VAL 13 0.077 -9.059 3.291
85 HG11 VAL 13 HG11 VAL 13 0.285 -6.656 3.078
86 HG12 VAL 13 HG12 VAL 13 1.564 -6.862 1.883
87 HG13 VAL 13 HG13 VAL 13 1.821 -7.384 3.549
88 HG21 VAL 13 HG21 VAL 13 -0.051 -8.153 0.425
89 HG22 VAL 13 HG22 VAL 13 -1.283 -7.861 1.654
90 HG23 VAL 13 HG23 VAL 13 -0.934 -9.510 1.128
91 H CYS 14 HN CYS 14 3.548 -7.940 1.443
92 HA CYS 14 HA CYS 14 3.146 -7.733 -1.355
93 HB2 CYS 14 HB2 CYS 14 5.278 -6.846 0.523
94 HB3 CYS 14 HB1 CYS 14 5.646 -6.874 -1.197
95 H ARG 15 HN ARG 15 5.083 -9.812 0.638
96 HA ARG 15 HA ARG 15 6.684 -10.883 -1.447
97 HB2 ARG 15 HB2 ARG 15 5.946 -12.052 1.234
98 HB3 ARG 15 HB1 ARG 15 7.188 -12.691 0.164
99 HG2 ARG 15 HG2 ARG 15 8.420 -10.573 0.363
100 HG3 ARG 15 HG1 ARG 15 7.189 -9.984 1.482
101 HD2 ARG 15 HD2 ARG 15 9.062 -10.804 2.748
102 HD3 ARG 15 HD1 ARG 15 7.700 -11.901 2.968
103 HE ARG 15 HE ARG 15 9.752 -12.526 0.965
104 HH11 ARG 15 HH11 ARG 15 8.140 -13.283 3.992
105 HH12 ARG 15 HH12 ARG 15 8.805 -14.890 4.072
106 HH21 ARG 15 HH21 ARG 15 10.622 -14.632 1.087
107 HH22 ARG 15 HH22 ARG 15 10.217 -15.651 2.432
108 H ASP 16 HN ASP 16 3.596 -11.751 -0.028
109 HA ASP 16 HA ASP 16 3.215 -14.089 -1.617
110 HB2 ASP 16 HB2 ASP 16 1.996 -13.788 0.474
111 HB3 ASP 16 HB1 ASP 16 1.213 -12.345 -0.161
112 H GLY 17 HN GLY 17 3.071 -10.782 -2.307
113 HA2 GLY 17 HA2 GLY 17 2.795 -9.884 -4.463
114 HA3 GLY 17 HA1 GLY 17 1.941 -11.346 -4.939
115 H GLY 18 HN GLY 18 1.019 -9.968 -1.963
116 HA2 GLY 18 HA2 GLY 18 -1.657 -9.606 -2.681
117 HA3 GLY 18 HA1 GLY 18 -0.897 -8.949 -1.245
118 H GLU 19 HN GLU 19 -2.929 -7.662 -2.650
119 HA GLU 19 HA GLU 19 -1.833 -5.746 -4.464
120 HB2 GLU 19 HB2 GLU 19 -4.534 -5.812 -3.107
121 HB3 GLU 19 HB1 GLU 19 -4.083 -4.751 -4.438
122 HG2 GLU 19 HG2 GLU 19 -3.560 -6.891 -5.729
123 HG3 GLU 19 HG1 GLU 19 -4.453 -7.724 -4.460
124 H LEU 20 HN LEU 20 -1.630 -3.544 -4.177
125 HA LEU 20 HA LEU 20 -1.257 -2.694 -1.381
126 HB2 LEU 20 HB2 LEU 20 0.783 -3.173 -2.899
127 HB3 LEU 20 HB1 LEU 20 0.340 -1.694 -3.726
128 HG LEU 20 HG LEU 20 0.845 -1.719 -0.761
129 HD11 LEU 20 HD11 LEU 20 2.901 -1.293 -2.932
130 HD12 LEU 20 HD12 LEU 20 2.800 -2.715 -1.896
131 HD13 LEU 20 HD13 LEU 20 3.159 -1.137 -1.194
132 HD21 LEU 20 HD21 LEU 20 1.390 0.627 -1.153
133 HD22 LEU 20 HD22 LEU 20 -0.236 0.258 -1.729
134 HD23 LEU 20 HD23 LEU 20 1.092 0.422 -2.877
135 H PHE 21 HN PHE 21 -2.492 -0.977 -0.832
136 HA PHE 21 HA PHE 21 -4.013 0.313 -2.984
137 HB2 PHE 21 HB2 PHE 21 -4.545 0.299 0.003
138 HB3 PHE 21 HB1 PHE 21 -5.622 0.931 -1.241
139 HD1 PHE 21 HD2 PHE 21 -6.548 -0.695 -2.967
140 HD2 PHE 21 HD1 PHE 21 -4.623 -1.959 0.620
141 HE1 PHE 21 HE2 PHE 21 -7.576 -2.918 -3.197
142 HE2 PHE 21 HE1 PHE 21 -5.647 -4.181 0.387
143 HZ PHE 21 HZ PHE 21 -7.122 -4.661 -1.520
144 H CYS 22 HN CYS 22 -1.596 1.350 -3.037
145 HA CYS 22 HA CYS 22 -2.028 4.080 -2.153
146 HB2 CYS 22 HB2 CYS 22 0.147 2.328 -1.070
147 HB3 CYS 22 HB1 CYS 22 0.465 4.041 -1.311
148 H CYS 23 HN CYS 23 -0.832 5.594 -3.322
149 HA CYS 23 HA CYS 23 0.158 4.922 -5.872
150 HB2 CYS 23 HB2 CYS 23 0.982 7.395 -4.354
151 HB3 CYS 23 HB1 CYS 23 0.708 7.217 -6.088
152 H ASP 24 HN ASP 24 2.493 5.351 -6.566
153 HA ASP 24 HA ASP 24 4.151 3.558 -5.237
154 HB2 ASP 24 HB2 ASP 24 4.862 5.768 -7.167
155 HB3 ASP 24 HB1 ASP 24 6.018 4.570 -6.594
156 H THR 25 HN THR 25 4.242 7.110 -5.107
157 HA THR 25 HA THR 25 6.395 7.250 -3.283
158 HB THR 25 HB THR 25 4.220 9.318 -3.584
159 HG1 THR 25 HG1 THR 25 6.120 8.418 -5.383
160 HG21 THR 25 HG21 THR 25 5.790 9.742 -1.776
161 HG22 THR 25 HG22 THR 25 6.077 10.876 -3.095
162 HG23 THR 25 HG23 THR 25 7.149 9.495 -2.871
163 H CYS 26 HN CYS 26 2.872 7.370 -2.813
164 HA CYS 26 HA CYS 26 2.843 7.722 -0.037
165 HB2 CYS 26 HB2 CYS 26 0.860 6.206 -1.756
166 HB3 CYS 26 HB1 CYS 26 0.557 6.788 -0.125
167 H SER 27 HN SER 27 3.143 4.853 -2.004
168 HA SER 27 HA SER 27 2.908 2.943 0.072
169 HB2 SER 27 HB2 SER 27 2.571 2.366 -2.280
170 HB3 SER 27 HB1 SER 27 4.261 2.732 -2.625
171 HG SER 27 HG SER 27 3.563 0.839 -0.659
172 H ARG 28 HN ARG 28 5.628 4.801 -1.158
173 HA ARG 28 HA ARG 28 7.570 3.092 0.094
174 HB2 ARG 28 HB2 ARG 28 7.804 5.789 -1.223
175 HB3 ARG 28 HB1 ARG 28 9.177 4.907 -0.564
176 HG2 ARG 28 HG2 ARG 28 8.599 3.024 -2.103
177 HG3 ARG 28 HG1 ARG 28 7.392 4.078 -2.841
178 HD2 ARG 28 HD2 ARG 28 9.375 4.191 -4.164
179 HD3 ARG 28 HD1 ARG 28 9.208 5.716 -3.297
180 HE ARG 28 HE ARG 28 10.851 3.800 -1.927
181 HH11 ARG 28 HH11 ARG 28 10.836 6.327 -4.359
182 HH12 ARG 28 HH12 ARG 28 12.541 6.623 -4.238
183 HH21 ARG 28 HH21 ARG 28 13.094 4.197 -1.772
184 HH22 ARG 28 HH22 ARG 28 13.820 5.421 -2.765
185 H VAL 29 HN VAL 29 5.927 6.073 0.892
186 HA VAL 29 HA VAL 29 7.676 6.584 3.124
187 HB VAL 29 HB VAL 29 6.104 8.466 3.645
188 HG11 VAL 29 HG11 VAL 29 8.113 8.817 2.335
189 HG12 VAL 29 HG12 VAL 29 6.799 9.808 1.697
190 HG13 VAL 29 HG13 VAL 29 7.270 8.323 0.866
191 HG21 VAL 29 HG21 VAL 29 4.478 9.105 1.933
192 HG22 VAL 29 HG22 VAL 29 4.075 7.543 2.647
193 HG23 VAL 29 HG23 VAL 29 4.819 7.619 1.050
194 H PHE 30 HN PHE 30 4.418 5.288 2.679
195 HA PHE 30 HA PHE 30 4.485 4.510 5.521
196 HB2 PHE 30 HB2 PHE 30 2.001 5.418 4.051
197 HB3 PHE 30 HB1 PHE 30 2.102 4.932 5.740
198 HD1 PHE 30 HD2 PHE 30 4.008 6.327 7.076
199 HD2 PHE 30 HD1 PHE 30 1.847 7.671 3.660
200 HE1 PHE 30 HE2 PHE 30 4.440 8.662 7.721
201 HE2 PHE 30 HE1 PHE 30 2.279 10.006 4.302
202 HZ PHE 30 HZ PHE 30 3.584 10.496 6.336
203 H HIS 31 HN HIS 31 5.433 2.738 3.925
204 HA HIS 31 HA HIS 31 3.805 1.197 2.296
205 HB2 HIS 31 HB2 HIS 31 6.295 1.077 2.429
206 HB3 HIS 31 HB1 HIS 31 6.135 0.210 3.948
207 HD1 HIS 31 HD1 HIS 31 5.491 -0.234 0.239
208 HD2 HIS 31 HD2 HIS 31 5.710 -2.470 3.736
209 HE1 HIS 31 HE1 HIS 31 5.464 -2.669 -0.468
210 H GLU 32 HN GLU 32 4.493 0.766 5.752
211 HA GLU 32 HA GLU 32 3.269 -1.775 5.951
212 HB2 GLU 32 HB2 GLU 32 4.943 -0.915 7.550
213 HB3 GLU 32 HB1 GLU 32 3.783 0.281 8.105
214 HG2 GLU 32 HG2 GLU 32 2.308 -1.538 8.860
215 HG3 GLU 32 HG1 GLU 32 3.533 -2.705 8.361
216 H ASP 33 HN ASP 33 2.171 1.487 6.651
217 HA ASP 33 HA ASP 33 -0.386 0.706 7.632
218 HB2 ASP 33 HB2 ASP 33 0.718 3.355 6.718
219 HB3 ASP 33 HB1 ASP 33 -0.924 3.164 7.326
220 H CYS 34 HN CYS 34 0.922 1.255 4.498
221 HA CYS 34 HA CYS 34 -1.532 1.768 3.146
222 HB2 CYS 34 HB2 CYS 34 1.247 1.071 2.285
223 HB3 CYS 34 HB1 CYS 34 -0.068 1.015 1.114
224 H HIS 35 HN HIS 35 -0.401 -1.020 4.591
225 HA HIS 35 HA HIS 35 -2.078 -2.689 2.826
226 HB2 HIS 35 HB2 HIS 35 0.084 -3.568 4.758
227 HB3 HIS 35 HB1 HIS 35 -0.898 -4.639 3.763
228 HD1 HIS 35 HD1 HIS 35 -0.256 -4.818 1.235
229 HD2 HIS 35 HD2 HIS 35 2.075 -2.171 3.429
230 HE1 HIS 35 HE1 HIS 35 1.751 -4.272 -0.205
231 H ILE 36 HN ILE 36 -2.674 -0.848 5.185
232 HA ILE 36 HA ILE 36 -4.321 -2.774 6.682
233 HB ILE 36 HB ILE 36 -2.877 -0.403 7.888
234 HG12 ILE 36 HG12 ILE 36 -2.389 -3.363 8.277
235 HG13 ILE 36 HG11 ILE 36 -1.361 -2.276 7.350
236 HG21 ILE 36 HG21 ILE 36 -3.721 -1.214 10.023
237 HG22 ILE 36 HG22 ILE 36 -4.567 -2.525 9.201
238 HG23 ILE 36 HG23 ILE 36 -5.049 -0.853 8.921
239 HD11 ILE 36 HD11 ILE 36 -1.893 -2.125 10.307
240 HD12 ILE 36 HD12 ILE 36 -0.887 -1.007 9.390
241 HD13 ILE 36 HD13 ILE 36 -0.416 -2.699 9.533
242 HA PRO 37 HA PRO 37 -6.086 -2.971 7.669
243 HB2 PRO 37 HB2 PRO 37 -8.638 -3.464 6.989
244 HB3 PRO 37 HB1 PRO 37 -8.228 -2.310 8.270
245 HG2 PRO 37 HG2 PRO 37 -8.957 -1.787 5.408
246 HG3 PRO 37 HG1 PRO 37 -9.511 -0.952 6.872
247 HD2 PRO 37 HD2 PRO 37 -7.527 0.002 5.255
248 HD3 PRO 37 HD1 PRO 37 -7.624 0.348 6.993
249 HA PRO 38 HA PRO 38 -5.383 -5.522 4.056
250 HB2 PRO 38 HB2 PRO 38 -5.929 -7.845 5.744
251 HB3 PRO 38 HB1 PRO 38 -4.415 -7.354 4.982
252 HG2 PRO 38 HG2 PRO 38 -4.797 -7.238 7.659
253 HG3 PRO 38 HG1 PRO 38 -3.754 -6.097 6.789
254 HD2 PRO 38 HD2 PRO 38 -6.559 -5.721 7.782
255 HD3 PRO 38 HD1 PRO 38 -5.186 -4.590 7.819
256 H VAL 39 HN VAL 39 -7.528 -4.651 3.333
257 HA VAL 39 HA VAL 39 -9.872 -6.206 3.794
258 HB VAL 39 HB VAL 39 -10.783 -4.873 1.818
259 HG11 VAL 39 HG11 VAL 39 -11.221 -4.241 4.116
260 HG12 VAL 39 HG12 VAL 39 -10.923 -2.797 3.147
261 HG13 VAL 39 HG13 VAL 39 -9.663 -3.421 4.213
262 HG21 VAL 39 HG21 VAL 39 -9.518 -2.902 1.142
263 HG22 VAL 39 HG22 VAL 39 -8.629 -4.374 0.753
264 HG23 VAL 39 HG23 VAL 39 -8.166 -3.409 2.153
265 H GLU 40 HN GLU 40 -9.210 -8.318 3.314
266 HA GLU 40 HA GLU 40 -8.111 -9.024 0.777
267 HB2 GLU 40 HB2 GLU 40 -9.345 -10.765 2.923
268 HB3 GLU 40 HB1 GLU 40 -8.389 -11.341 1.566
269 HG2 GLU 40 HG2 GLU 40 -6.424 -10.307 2.402
270 HG3 GLU 40 HG1 GLU 40 -7.336 -9.425 3.627
271 H ALA 41 HN ALA 41 -11.337 -8.868 2.115
272 HA ALA 41 HA ALA 41 -12.414 -10.163 -0.293
273 HB1 ALA 41 HB1 ALA 41 -13.169 -11.074 1.850
274 HB2 ALA 41 HB2 ALA 41 -14.505 -10.381 0.932
275 HB3 ALA 41 HB3 ALA 41 -13.818 -9.496 2.292
276 H GLU 42 HN GLU 42 -12.075 -7.121 1.241
277 HA GLU 42 HA GLU 42 -14.029 -5.929 -0.619
278 HB2 GLU 42 HB2 GLU 42 -13.010 -4.848 2.019
279 HB3 GLU 42 HB1 GLU 42 -14.142 -4.027 0.953
280 HG2 GLU 42 HG2 GLU 42 -15.784 -5.758 1.291
281 HG3 GLU 42 HG1 GLU 42 -14.645 -6.691 2.260
282 H ARG 43 HN ARG 43 -11.514 -6.611 -1.525
283 HA ARG 43 HA ARG 43 -9.788 -4.286 -1.399
284 HB2 ARG 43 HB2 ARG 43 -8.348 -5.658 -2.961
285 HB3 ARG 43 HB1 ARG 43 -8.629 -6.347 -1.369
286 HG2 ARG 43 HG2 ARG 43 -10.304 -7.847 -2.295
287 HG3 ARG 43 HG1 ARG 43 -10.075 -7.130 -3.893
288 HD2 ARG 43 HD2 ARG 43 -7.789 -7.886 -3.948
289 HD3 ARG 43 HD1 ARG 43 -7.912 -8.488 -2.296
290 HE ARG 43 HE ARG 43 -9.833 -9.891 -3.504
291 HH11 ARG 43 HH11 ARG 43 -6.589 -9.172 -4.587
292 HH12 ARG 43 HH12 ARG 43 -6.353 -10.720 -5.336
293 HH21 ARG 43 HH21 ARG 43 -9.544 -11.926 -4.494
294 HH22 ARG 43 HH22 ARG 43 -8.040 -12.292 -5.281
295 H THR 44 HN THR 44 -12.135 -3.506 -2.434
296 HA THR 44 HA THR 44 -11.401 -2.393 -4.917
297 HB THR 44 HB THR 44 -11.906 -4.609 -5.813
298 HG1 THR 44 HG1 THR 44 -14.184 -3.268 -6.655
299 HG21 THR 44 HG21 THR 44 -14.656 -4.236 -4.623
300 HG22 THR 44 HG22 THR 44 -13.443 -5.401 -4.092
301 HG23 THR 44 HG23 THR 44 -14.167 -5.549 -5.692
302 HA PRO 45 HA PRO 45 -12.413 -1.198 -6.565
303 HB2 PRO 45 HB2 PRO 45 -12.352 1.504 -6.739
304 HB3 PRO 45 HB1 PRO 45 -13.772 0.558 -7.211
305 HG2 PRO 45 HG2 PRO 45 -13.240 2.027 -4.645
306 HG3 PRO 45 HG1 PRO 45 -14.720 1.998 -5.633
307 HD2 PRO 45 HD2 PRO 45 -14.432 0.481 -3.406
308 HD3 PRO 45 HD1 PRO 45 -15.374 -0.064 -4.809
309 H TRP 46 HN TRP 46 -10.311 -0.315 -7.125
310 HA TRP 46 HA TRP 46 -8.522 -0.309 -4.859
311 HB2 TRP 46 HB2 TRP 46 -7.987 -1.471 -7.029
312 HB3 TRP 46 HB1 TRP 46 -7.872 0.111 -7.793
313 HD1 TRP 46 HD1 TRP 46 -5.928 -2.297 -5.618
314 HE1 TRP 46 HE1 TRP 46 -3.544 -1.392 -5.257
315 HE3 TRP 46 HE3 TRP 46 -6.530 2.392 -7.577
316 HZ2 TRP 46 HZ2 TRP 46 -2.118 0.998 -5.726
317 HZ3 TRP 46 HZ3 TRP 46 -4.606 3.925 -7.579
318 HH2 TRP 46 HH2 TRP 46 -2.448 3.241 -6.675
319 H ASN 47 HN ASN 47 -7.874 1.463 -3.811
320 HA ASN 47 HA ASN 47 -7.343 3.920 -5.215
321 HB2 ASN 47 HB2 ASN 47 -9.869 3.855 -4.660
322 HB3 ASN 47 HB1 ASN 47 -9.372 4.060 -2.986
323 HD21 ASN 47 HD21 ASN 47 -10.955 5.824 -4.613
324 HD22 ASN 47 HD22 ASN 47 -10.109 7.334 -4.692
325 H CYS 48 HN CYS 48 -6.067 5.329 -4.013
326 HA CYS 48 HA CYS 48 -4.506 4.128 -1.928
327 HB2 CYS 48 HB2 CYS 48 -3.448 5.541 -3.584
328 HB3 CYS 48 HB1 CYS 48 -4.512 6.877 -3.184
329 H ILE 49 HN ILE 49 -5.147 4.050 0.104
330 HA ILE 49 HA ILE 49 -7.418 5.348 1.091
331 HB ILE 49 HB ILE 49 -6.645 4.590 3.357
332 HG12 ILE 49 HG12 ILE 49 -4.321 3.467 1.768
333 HG13 ILE 49 HG11 ILE 49 -4.226 4.722 2.998
334 HG21 ILE 49 HG21 ILE 49 -6.885 2.188 2.837
335 HG22 ILE 49 HG22 ILE 49 -6.697 2.562 1.125
336 HG23 ILE 49 HG23 ILE 49 -8.079 3.194 2.017
337 HD11 ILE 49 HD11 ILE 49 -4.983 1.843 3.413
338 HD12 ILE 49 HD12 ILE 49 -5.026 3.085 4.663
339 HD13 ILE 49 HD13 ILE 49 -3.491 2.636 3.920
340 H PHE 50 HN PHE 50 -4.035 6.307 1.256
341 HA PHE 50 HA PHE 50 -4.481 8.351 3.206
342 HB2 PHE 50 HB2 PHE 50 -2.195 7.776 1.325
343 HB3 PHE 50 HB1 PHE 50 -2.202 9.187 2.381
344 HD1 PHE 50 HD1 PHE 50 -2.104 8.914 4.821
345 HD2 PHE 50 HD2 PHE 50 -1.849 5.575 2.187
346 HE1 PHE 50 HE1 PHE 50 -1.202 7.543 6.648
347 HE2 PHE 50 HE2 PHE 50 -0.948 4.201 4.012
348 HZ PHE 50 HZ PHE 50 -0.703 5.192 6.286
349 H CYS 51 HN CYS 51 -4.271 8.316 -0.322
350 HA CYS 51 HA CYS 51 -4.397 11.133 -0.581
351 HB2 CYS 51 HB2 CYS 51 -4.682 8.856 -2.504
352 HB3 CYS 51 HB1 CYS 51 -5.090 10.492 -3.013
353 H ARG 52 HN ARG 52 -6.831 8.699 -0.160
354 HA ARG 52 HA ARG 52 -9.032 10.236 -1.104
355 HB2 ARG 52 HB2 ARG 52 -8.995 7.993 0.926
356 HB3 ARG 52 HB1 ARG 52 -10.428 8.628 0.132
357 HG2 ARG 52 HG2 ARG 52 -9.608 7.862 -2.017
358 HG3 ARG 52 HG1 ARG 52 -8.124 7.280 -1.258
359 HD2 ARG 52 HD2 ARG 52 -9.563 5.405 -1.559
360 HD3 ARG 52 HD1 ARG 52 -9.539 5.782 0.159
361 HE ARG 52 HE ARG 52 -11.701 7.075 -1.158
362 HH11 ARG 52 HH11 ARG 52 -10.669 3.995 0.131
363 HH12 ARG 52 HH12 ARG 52 -12.281 3.404 0.368
364 HH21 ARG 52 HH21 ARG 52 -13.824 6.317 -0.847
365 HH22 ARG 52 HH22 ARG 52 -14.085 4.740 -0.171
366 H MET 53 HN MET 53 -7.173 10.275 1.799
367 HA MET 53 HA MET 53 -9.273 11.667 3.285
368 HB2 MET 53 HB2 MET 53 -6.576 10.635 4.177
369 HB3 MET 53 HB1 MET 53 -7.716 11.469 5.222
370 HG2 MET 53 HG2 MET 53 -9.351 9.681 4.846
371 HG3 MET 53 HG1 MET 53 -8.177 8.837 3.834
372 HE1 MET 53 HE1 MET 53 -5.360 7.976 6.421
373 HE2 MET 53 HE2 MET 53 -5.456 9.398 5.384
374 HE3 MET 53 HE3 MET 53 -5.898 7.812 4.749
375 H LYS 54 HN LYS 54 -5.901 12.144 2.274
376 HA LYS 54 HA LYS 54 -5.741 14.736 3.458
377 HB2 LYS 54 HB2 LYS 54 -3.570 14.911 2.343
378 HB3 LYS 54 HB1 LYS 54 -3.732 13.374 3.178
379 HG2 LYS 54 HG2 LYS 54 -4.231 12.271 1.053
380 HG3 LYS 54 HG1 LYS 54 -4.080 13.816 0.216
381 HD2 LYS 54 HD2 LYS 54 -1.888 12.447 1.774
382 HD3 LYS 54 HD1 LYS 54 -2.046 12.442 0.017
383 HE2 LYS 54 HE2 LYS 54 -1.814 14.880 -0.008
384 HE3 LYS 54 HE1 LYS 54 -1.671 14.889 1.749
385 HZ1 LYS 54 HZ1 LYS 54 0.218 13.607 -0.147
386 HZ2 LYS 54 HZ2 LYS 54 0.341 13.549 1.536
387 HZ3 LYS 54 HZ3 LYS 54 0.488 15.023 0.731
388 H GLU 55 HN GLU 55 -5.608 16.746 2.427
389 HA GLU 55 HA GLU 55 -6.318 16.910 -0.386
390 HB2 GLU 55 HB2 GLU 55 -8.484 16.857 0.831
391 HB3 GLU 55 HB1 GLU 55 -7.974 18.265 1.752
392 HG2 GLU 55 HG2 GLU 55 -9.497 18.827 -0.085
393 HG3 GLU 55 HG1 GLU 55 -7.926 19.611 -0.241
394 H SER 56 HN SER 56 -4.677 18.104 -1.096
395 HA SER 56 HA SER 56 -4.202 20.699 0.151
396 HB2 SER 56 HB2 SER 56 -1.964 18.758 -0.488
397 HB3 SER 56 HB1 SER 56 -1.783 20.384 0.175
398 HG SER 56 HG SER 56 -3.502 19.006 1.691
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 22.899 10.700 -5.077
2 H2 GLY 1 HT2 GLY 1 22.123 10.733 -3.579
3 H3 GLY 1 HT3 GLY 1 21.327 11.306 -4.956
4 HA2 GLY 1 HA1 GLY 1 20.502 9.128 -4.336
5 HA3 GLY 1 HA2 GLY 1 21.279 9.113 -5.912
6 H ALA 2 HN ALA 2 20.928 6.787 -4.571
7 HA ALA 2 HA ALA 2 22.013 4.875 -4.023
8 HB1 ALA 2 HB1 ALA 2 23.415 5.464 -5.958
9 HB2 ALA 2 HB2 ALA 2 24.318 4.593 -4.718
10 HB3 ALA 2 HB3 ALA 2 24.507 6.338 -4.884
11 H MET 3 HN MET 3 21.792 7.168 -2.054
12 HA MET 3 HA MET 3 24.041 6.607 -0.270
13 HB2 MET 3 HB2 MET 3 23.329 8.948 -0.544
14 HB3 MET 3 HB1 MET 3 21.720 8.529 0.027
15 HG2 MET 3 HG2 MET 3 22.699 7.873 2.196
16 HG3 MET 3 HG1 MET 3 24.274 8.404 1.614
17 HE1 MET 3 HE1 MET 3 20.657 9.451 2.608
18 HE2 MET 3 HE2 MET 3 20.738 10.090 0.965
19 HE3 MET 3 HE3 MET 3 20.670 11.194 2.338
20 H GLY 4 HN GLY 4 20.503 6.475 -0.302
21 HA2 GLY 4 HA2 GLY 4 20.376 4.012 1.069
22 HA3 GLY 4 HA1 GLY 4 20.108 5.326 2.208
23 H MET 5 HN MET 5 18.401 3.147 0.839
24 HA MET 5 HA MET 5 16.125 4.923 0.341
25 HB2 MET 5 HB2 MET 5 15.389 3.525 -1.545
26 HB3 MET 5 HB1 MET 5 16.957 4.248 -1.870
27 HG2 MET 5 HG2 MET 5 18.065 2.165 -1.354
28 HG3 MET 5 HG1 MET 5 16.526 1.430 -0.910
29 HE1 MET 5 HE1 MET 5 18.522 0.068 -2.946
30 HE2 MET 5 HE2 MET 5 17.406 -0.455 -4.207
31 HE3 MET 5 HE3 MET 5 16.954 -0.611 -2.509
32 H ARG 6 HN ARG 6 14.168 4.118 1.089
33 HA ARG 6 HA ARG 6 14.439 1.735 2.764
34 HB2 ARG 6 HB2 ARG 6 13.632 3.899 3.775
35 HB3 ARG 6 HB1 ARG 6 12.178 3.737 2.796
36 HG2 ARG 6 HG2 ARG 6 11.642 1.641 3.902
37 HG3 ARG 6 HG1 ARG 6 13.123 1.748 4.851
38 HD2 ARG 6 HD2 ARG 6 11.312 2.480 6.219
39 HD3 ARG 6 HD1 ARG 6 12.283 3.889 5.797
40 HE ARG 6 HE ARG 6 10.446 4.049 3.926
41 HH11 ARG 6 HH11 ARG 6 10.045 3.235 7.303
42 HH12 ARG 6 HH12 ARG 6 8.446 3.900 7.408
43 HH21 ARG 6 HH21 ARG 6 8.338 4.904 4.047
44 HH22 ARG 6 HH22 ARG 6 7.477 4.857 5.559
45 H ASN 7 HN ASN 7 14.352 0.410 0.827
46 HA ASN 7 HA ASN 7 11.647 0.081 -0.250
47 HB2 ASN 7 HB2 ASN 7 13.558 0.157 -1.856
48 HB3 ASN 7 HB1 ASN 7 14.208 -1.293 -1.098
49 HD21 ASN 7 HD21 ASN 7 10.802 -0.635 -1.712
50 HD22 ASN 7 HD22 ASN 7 10.580 -1.910 -2.855
51 H LEU 8 HN LEU 8 10.485 -1.012 1.204
52 HA LEU 8 HA LEU 8 11.672 -3.019 2.885
53 HB2 LEU 8 HB2 LEU 8 8.794 -2.173 2.588
54 HB3 LEU 8 HB1 LEU 8 9.433 -3.191 3.865
55 HG LEU 8 HG LEU 8 10.243 -0.318 3.411
56 HD11 LEU 8 HD11 LEU 8 7.911 -0.462 4.074
57 HD12 LEU 8 HD12 LEU 8 8.899 0.178 5.386
58 HD13 LEU 8 HD13 LEU 8 8.348 -1.496 5.434
59 HD21 LEU 8 HD21 LEU 8 11.226 -0.522 5.650
60 HD22 LEU 8 HD22 LEU 8 11.971 -1.627 4.496
61 HD23 LEU 8 HD23 LEU 8 10.803 -2.234 5.669
62 H ASP 9 HN ASP 9 12.127 -4.960 1.977
63 HA ASP 9 HA ASP 9 10.124 -6.180 0.223
64 HB2 ASP 9 HB2 ASP 9 13.000 -6.888 0.806
65 HB3 ASP 9 HB1 ASP 9 11.928 -7.928 -0.122
66 H GLU 10 HN GLU 10 10.723 -5.917 3.369
67 HA GLU 10 HA GLU 10 10.301 -8.706 4.115
68 HB2 GLU 10 HB2 GLU 10 10.820 -6.233 5.772
69 HB3 GLU 10 HB1 GLU 10 10.621 -7.852 6.433
70 HG2 GLU 10 HG2 GLU 10 12.599 -8.619 5.402
71 HG3 GLU 10 HG1 GLU 10 12.723 -7.173 4.405
72 H CYS 11 HN CYS 11 8.293 -7.446 2.711
73 HA CYS 11 HA CYS 11 6.174 -6.921 4.674
74 HB2 CYS 11 HB2 CYS 11 6.599 -5.190 2.932
75 HB3 CYS 11 HB1 CYS 11 6.226 -6.380 1.700
76 H GLU 12 HN GLU 12 5.423 -8.889 5.220
77 HA GLU 12 HA GLU 12 5.648 -11.198 3.684
78 HB2 GLU 12 HB2 GLU 12 3.758 -10.591 5.953
79 HB3 GLU 12 HB1 GLU 12 4.055 -12.197 5.305
80 HG2 GLU 12 HG2 GLU 12 6.404 -12.025 5.940
81 HG3 GLU 12 HG1 GLU 12 6.110 -10.411 6.584
82 H VAL 13 HN VAL 13 3.015 -8.883 3.922
83 HA VAL 13 HA VAL 13 1.161 -10.465 2.483
84 HB VAL 13 HB VAL 13 0.303 -8.726 3.873
85 HG11 VAL 13 HG11 VAL 13 1.732 -6.745 2.125
86 HG12 VAL 13 HG12 VAL 13 2.223 -7.215 3.752
87 HG13 VAL 13 HG13 VAL 13 0.693 -6.381 3.499
88 HG21 VAL 13 HG21 VAL 13 -0.133 -7.939 1.000
89 HG22 VAL 13 HG22 VAL 13 -1.193 -7.566 2.359
90 HG23 VAL 13 HG23 VAL 13 -0.977 -9.238 1.841
91 H CYS 14 HN CYS 14 3.427 -7.904 1.466
92 HA CYS 14 HA CYS 14 2.667 -7.989 -1.264
93 HB2 CYS 14 HB2 CYS 14 5.037 -6.932 0.208
94 HB3 CYS 14 HB1 CYS 14 5.122 -7.085 -1.541
95 H ARG 15 HN ARG 15 4.943 -9.779 0.667
96 HA ARG 15 HA ARG 15 6.248 -11.149 -1.440
97 HB2 ARG 15 HB2 ARG 15 7.206 -11.053 0.785
98 HB3 ARG 15 HB1 ARG 15 5.810 -11.878 1.459
99 HG2 ARG 15 HG2 ARG 15 6.396 -13.884 0.190
100 HG3 ARG 15 HG1 ARG 15 7.815 -13.055 -0.452
101 HD2 ARG 15 HD2 ARG 15 8.734 -12.826 1.769
102 HD3 ARG 15 HD1 ARG 15 7.276 -13.519 2.477
103 HE ARG 15 HE ARG 15 8.375 -15.342 0.631
104 HH11 ARG 15 HH11 ARG 15 9.028 -13.973 3.788
105 HH12 ARG 15 HH12 ARG 15 9.881 -15.372 4.360
106 HH21 ARG 15 HH21 ARG 15 9.508 -17.177 1.366
107 HH22 ARG 15 HH22 ARG 15 10.166 -17.194 2.972
108 H ASP 16 HN ASP 16 3.411 -11.841 0.506
109 HA ASP 16 HA ASP 16 2.772 -14.325 -0.663
110 HB2 ASP 16 HB2 ASP 16 1.864 -13.551 1.487
111 HB3 ASP 16 HB1 ASP 16 0.964 -12.288 0.659
112 H GLY 17 HN GLY 17 2.569 -11.177 -1.910
113 HA2 GLY 17 HA2 GLY 17 2.062 -10.797 -4.212
114 HA3 GLY 17 HA1 GLY 17 0.960 -12.164 -4.161
115 H GLY 18 HN GLY 18 0.718 -10.164 -1.455
116 HA2 GLY 18 HA2 GLY 18 -1.949 -9.459 -1.901
117 HA3 GLY 18 HA1 GLY 18 -0.895 -8.733 -0.703
118 H GLU 19 HN GLU 19 -2.939 -7.462 -2.263
119 HA GLU 19 HA GLU 19 -1.662 -5.997 -4.381
120 HB2 GLU 19 HB2 GLU 19 -4.384 -5.647 -3.119
121 HB3 GLU 19 HB1 GLU 19 -3.837 -4.866 -4.598
122 HG2 GLU 19 HG2 GLU 19 -3.511 -7.132 -5.583
123 HG3 GLU 19 HG1 GLU 19 -4.265 -7.808 -4.142
124 H LEU 20 HN LEU 20 -1.553 -3.685 -4.467
125 HA LEU 20 HA LEU 20 -1.012 -2.470 -1.839
126 HB2 LEU 20 HB2 LEU 20 0.931 -3.137 -3.439
127 HB3 LEU 20 HB1 LEU 20 0.427 -1.751 -4.379
128 HG LEU 20 HG LEU 20 1.174 -1.503 -1.472
129 HD11 LEU 20 HD11 LEU 20 3.058 -2.517 -2.665
130 HD12 LEU 20 HD12 LEU 20 3.410 -0.848 -2.211
131 HD13 LEU 20 HD13 LEU 20 2.981 -1.238 -3.877
132 HD21 LEU 20 HD21 LEU 20 1.185 0.486 -3.743
133 HD22 LEU 20 HD22 LEU 20 1.584 0.811 -2.056
134 HD23 LEU 20 HD23 LEU 20 -0.063 0.364 -2.499
135 H PHE 21 HN PHE 21 -2.203 -0.681 -1.449
136 HA PHE 21 HA PHE 21 -3.608 0.525 -3.744
137 HB2 PHE 21 HB2 PHE 21 -4.531 0.289 -0.864
138 HB3 PHE 21 HB1 PHE 21 -5.433 1.073 -2.160
139 HD1 PHE 21 HD2 PHE 21 -5.988 -0.407 -4.229
140 HD2 PHE 21 HD1 PHE 21 -4.879 -1.958 -0.414
141 HE1 PHE 21 HE2 PHE 21 -7.043 -2.555 -4.794
142 HE2 PHE 21 HE1 PHE 21 -5.936 -4.105 -0.981
143 HZ PHE 21 HZ PHE 21 -6.959 -4.422 -3.212
144 H CYS 22 HN CYS 22 -1.275 1.614 -3.499
145 HA CYS 22 HA CYS 22 -1.767 4.225 -2.301
146 HB2 CYS 22 HB2 CYS 22 0.643 2.516 -1.627
147 HB3 CYS 22 HB1 CYS 22 0.477 4.217 -1.205
148 H CYS 23 HN CYS 23 -0.613 5.894 -3.301
149 HA CYS 23 HA CYS 23 0.402 5.454 -5.919
150 HB2 CYS 23 HB2 CYS 23 0.972 7.918 -4.273
151 HB3 CYS 23 HB1 CYS 23 0.726 7.798 -6.015
152 H ASP 24 HN ASP 24 2.706 6.309 -6.514
153 HA ASP 24 HA ASP 24 4.596 4.586 -5.443
154 HB2 ASP 24 HB2 ASP 24 5.049 7.227 -6.847
155 HB3 ASP 24 HB1 ASP 24 6.315 6.051 -6.521
156 H THR 25 HN THR 25 4.229 8.044 -4.754
157 HA THR 25 HA THR 25 6.280 8.170 -2.821
158 HB THR 25 HB THR 25 3.859 9.959 -3.042
159 HG1 THR 25 HG1 THR 25 4.838 10.103 -4.995
160 HG21 THR 25 HG21 THR 25 5.128 10.241 -0.957
161 HG22 THR 25 HG22 THR 25 5.293 11.646 -2.007
162 HG23 THR 25 HG23 THR 25 6.604 10.473 -1.892
163 H CYS 26 HN CYS 26 2.781 7.765 -2.534
164 HA CYS 26 HA CYS 26 2.611 7.750 0.260
165 HB2 CYS 26 HB2 CYS 26 0.843 6.305 -1.729
166 HB3 CYS 26 HB1 CYS 26 0.404 6.759 -0.084
167 H SER 27 HN SER 27 3.322 5.220 -2.050
168 HA SER 27 HA SER 27 3.244 3.035 -0.233
169 HB2 SER 27 HB2 SER 27 3.081 2.779 -2.693
170 HB3 SER 27 HB1 SER 27 4.758 3.295 -2.844
171 HG SER 27 HG SER 27 5.258 1.294 -2.533
172 H ARG 28 HN ARG 28 5.702 5.360 -1.125
173 HA ARG 28 HA ARG 28 7.878 3.880 0.005
174 HB2 ARG 28 HB2 ARG 28 7.560 6.708 -0.951
175 HB3 ARG 28 HB1 ARG 28 9.045 6.146 -0.201
176 HG2 ARG 28 HG2 ARG 28 9.380 4.528 -1.938
177 HG3 ARG 28 HG1 ARG 28 7.807 4.906 -2.647
178 HD2 ARG 28 HD2 ARG 28 9.695 5.972 -3.839
179 HD3 ARG 28 HD1 ARG 28 8.536 7.133 -3.189
180 HE ARG 28 HE ARG 28 10.528 6.805 -1.279
181 HH11 ARG 28 HH11 ARG 28 10.238 7.998 -4.553
182 HH12 ARG 28 HH12 ARG 28 11.532 9.142 -4.385
183 HH21 ARG 28 HH21 ARG 28 12.205 8.342 -1.034
184 HH22 ARG 28 HH22 ARG 28 12.646 9.341 -2.382
185 H VAL 29 HN VAL 29 5.758 6.463 1.078
186 HA VAL 29 HA VAL 29 7.283 6.832 3.498
187 HB VAL 29 HB VAL 29 5.566 8.543 4.074
188 HG11 VAL 29 HG11 VAL 29 7.616 9.160 2.936
189 HG12 VAL 29 HG12 VAL 29 6.273 10.128 2.330
190 HG13 VAL 29 HG13 VAL 29 6.888 8.780 1.374
191 HG21 VAL 29 HG21 VAL 29 4.499 7.932 1.321
192 HG22 VAL 29 HG22 VAL 29 3.975 9.247 2.374
193 HG23 VAL 29 HG23 VAL 29 3.682 7.570 2.840
194 H PHE 30 HN PHE 30 4.188 5.350 2.605
195 HA PHE 30 HA PHE 30 4.064 4.318 5.365
196 HB2 PHE 30 HB2 PHE 30 1.607 5.094 3.787
197 HB3 PHE 30 HB1 PHE 30 1.683 4.591 5.468
198 HD1 PHE 30 HD2 PHE 30 3.622 6.229 6.733
199 HD2 PHE 30 HD1 PHE 30 0.933 7.264 3.593
200 HE1 PHE 30 HE2 PHE 30 3.730 8.587 7.415
201 HE2 PHE 30 HE1 PHE 30 1.040 9.625 4.281
202 HZ PHE 30 HZ PHE 30 2.441 10.285 6.189
203 H HIS 31 HN HIS 31 5.248 2.752 3.563
204 HA HIS 31 HA HIS 31 3.577 1.182 1.951
205 HB2 HIS 31 HB2 HIS 31 6.058 1.222 1.748
206 HB3 HIS 31 HB1 HIS 31 6.161 0.290 3.238
207 HD1 HIS 31 HD1 HIS 31 4.699 -0.094 -0.282
208 HD2 HIS 31 HD2 HIS 31 6.115 -2.379 2.895
209 HE1 HIS 31 HE1 HIS 31 4.705 -2.503 -1.074
210 H GLU 32 HN GLU 32 4.639 0.674 5.307
211 HA GLU 32 HA GLU 32 3.651 -1.987 5.429
212 HB2 GLU 32 HB2 GLU 32 5.440 -1.004 6.908
213 HB3 GLU 32 HB1 GLU 32 4.167 -0.134 7.754
214 HG2 GLU 32 HG2 GLU 32 3.115 -2.282 8.331
215 HG3 GLU 32 HG1 GLU 32 4.447 -3.120 7.536
216 H ASP 33 HN ASP 33 2.407 1.139 6.440
217 HA ASP 33 HA ASP 33 -0.013 0.143 7.551
218 HB2 ASP 33 HB2 ASP 33 0.880 2.886 6.698
219 HB3 ASP 33 HB1 ASP 33 -0.758 2.589 7.272
220 H CYS 34 HN CYS 34 1.043 0.815 4.353
221 HA CYS 34 HA CYS 34 -1.370 1.395 3.063
222 HB2 CYS 34 HB2 CYS 34 0.941 1.531 2.059
223 HB3 CYS 34 HB1 CYS 34 0.899 -0.222 1.895
224 H HIS 35 HN HIS 35 -0.242 -1.547 4.428
225 HA HIS 35 HA HIS 35 -2.282 -3.085 2.960
226 HB2 HIS 35 HB2 HIS 35 0.011 -4.197 4.589
227 HB3 HIS 35 HB1 HIS 35 -1.010 -5.064 3.442
228 HD1 HIS 35 HD1 HIS 35 -0.440 -4.729 0.877
229 HD2 HIS 35 HD2 HIS 35 2.038 -2.677 3.507
230 HE1 HIS 35 HE1 HIS 35 1.548 -3.941 -0.478
231 H ILE 36 HN ILE 36 -2.198 -1.340 5.592
232 HA ILE 36 HA ILE 36 -3.765 -3.205 7.229
233 HB ILE 36 HB ILE 36 -1.515 -1.487 8.302
234 HG12 ILE 36 HG12 ILE 36 -1.767 -4.501 8.209
235 HG13 ILE 36 HG11 ILE 36 -0.759 -3.544 7.130
236 HG21 ILE 36 HG21 ILE 36 -3.401 -1.594 9.839
237 HG22 ILE 36 HG22 ILE 36 -2.027 -2.501 10.469
238 HG23 ILE 36 HG23 ILE 36 -3.389 -3.354 9.746
239 HD11 ILE 36 HD11 ILE 36 -0.449 -3.739 10.117
240 HD12 ILE 36 HD12 ILE 36 0.567 -2.791 9.031
241 HD13 ILE 36 HD13 ILE 36 0.551 -4.550 8.910
242 HA PRO 37 HA PRO 37 -5.487 -3.342 8.007
243 HB2 PRO 37 HB2 PRO 37 -8.124 -2.999 7.707
244 HB3 PRO 37 HB1 PRO 37 -7.299 -2.500 9.195
245 HG2 PRO 37 HG2 PRO 37 -8.180 -0.838 6.857
246 HG3 PRO 37 HG1 PRO 37 -8.318 -0.490 8.593
247 HD2 PRO 37 HD2 PRO 37 -6.339 0.520 6.970
248 HD3 PRO 37 HD1 PRO 37 -6.175 0.304 8.724
249 HA PRO 38 HA PRO 38 -5.845 -4.553 3.734
250 HB2 PRO 38 HB2 PRO 38 -7.151 -6.936 4.065
251 HB3 PRO 38 HB1 PRO 38 -5.418 -6.724 4.337
252 HG2 PRO 38 HG2 PRO 38 -7.658 -6.790 6.317
253 HG3 PRO 38 HG1 PRO 38 -6.039 -7.505 6.432
254 HD2 PRO 38 HD2 PRO 38 -6.695 -5.193 7.682
255 HD3 PRO 38 HD1 PRO 38 -5.061 -5.503 7.057
256 H VAL 39 HN VAL 39 -7.282 -2.975 3.000
257 HA VAL 39 HA VAL 39 -10.090 -3.142 3.469
258 HB VAL 39 HB VAL 39 -10.207 -1.366 1.656
259 HG11 VAL 39 HG11 VAL 39 -9.224 0.363 3.109
260 HG12 VAL 39 HG12 VAL 39 -8.428 -0.899 4.047
261 HG13 VAL 39 HG13 VAL 39 -10.189 -0.802 4.015
262 HG21 VAL 39 HG21 VAL 39 -8.135 -1.964 0.478
263 HG22 VAL 39 HG22 VAL 39 -7.200 -1.500 1.899
264 HG23 VAL 39 HG23 VAL 39 -8.117 -0.284 1.010
265 H GLU 40 HN GLU 40 -10.460 -5.317 2.828
266 HA GLU 40 HA GLU 40 -10.000 -6.255 0.191
267 HB2 GLU 40 HB2 GLU 40 -11.978 -7.263 2.247
268 HB3 GLU 40 HB1 GLU 40 -11.424 -8.143 0.831
269 HG2 GLU 40 HG2 GLU 40 -9.174 -8.221 1.727
270 HG3 GLU 40 HG1 GLU 40 -9.678 -7.264 3.121
271 H ALA 41 HN ALA 41 -12.423 -4.277 1.586
272 HA ALA 41 HA ALA 41 -14.424 -4.807 -0.432
273 HB1 ALA 41 HB1 ALA 41 -15.697 -3.035 0.639
274 HB2 ALA 41 HB2 ALA 41 -14.294 -2.587 1.608
275 HB3 ALA 41 HB3 ALA 41 -15.068 -4.152 1.848
276 H GLU 42 HN GLU 42 -11.556 -3.185 -0.439
277 HA GLU 42 HA GLU 42 -12.477 -1.267 -2.480
278 HB2 GLU 42 HB2 GLU 42 -10.398 -0.915 -0.320
279 HB3 GLU 42 HB1 GLU 42 -10.509 0.145 -1.713
280 HG2 GLU 42 HG2 GLU 42 -12.778 -0.319 0.193
281 HG3 GLU 42 HG1 GLU 42 -11.608 0.990 0.359
282 H ARG 43 HN ARG 43 -11.657 -3.883 -3.113
283 HA ARG 43 HA ARG 43 -8.871 -3.659 -3.964
284 HB2 ARG 43 HB2 ARG 43 -10.799 -5.978 -4.198
285 HB3 ARG 43 HB1 ARG 43 -9.103 -6.017 -4.659
286 HG2 ARG 43 HG2 ARG 43 -8.454 -5.590 -2.349
287 HG3 ARG 43 HG1 ARG 43 -10.154 -5.532 -1.881
288 HD2 ARG 43 HD2 ARG 43 -9.271 -7.700 -1.339
289 HD3 ARG 43 HD1 ARG 43 -10.406 -7.862 -2.677
290 HE ARG 43 HE ARG 43 -7.769 -7.550 -3.672
291 HH11 ARG 43 HH11 ARG 43 -9.864 -9.884 -2.106
292 HH12 ARG 43 HH12 ARG 43 -9.006 -11.259 -2.717
293 HH21 ARG 43 HH21 ARG 43 -6.647 -9.357 -4.485
294 HH22 ARG 43 HH22 ARG 43 -7.177 -10.958 -4.085
295 H THR 44 HN THR 44 -11.803 -2.774 -5.171
296 HA THR 44 HA THR 44 -10.707 -2.566 -7.837
297 HB THR 44 HB THR 44 -11.806 -4.737 -7.953
298 HG1 THR 44 HG1 THR 44 -12.373 -4.154 -9.890
299 HG21 THR 44 HG21 THR 44 -14.325 -3.281 -7.145
300 HG22 THR 44 HG22 THR 44 -13.443 -4.442 -6.156
301 HG23 THR 44 HG23 THR 44 -14.222 -4.969 -7.646
302 HA PRO 45 HA PRO 45 -11.150 -1.707 -9.735
303 HB2 PRO 45 HB2 PRO 45 -10.502 1.122 -10.192
304 HB3 PRO 45 HB1 PRO 45 -11.252 -0.044 -11.294
305 HG2 PRO 45 HG2 PRO 45 -12.654 2.003 -10.224
306 HG3 PRO 45 HG1 PRO 45 -13.393 0.415 -10.542
307 HD2 PRO 45 HD2 PRO 45 -12.380 1.544 -7.947
308 HD3 PRO 45 HD1 PRO 45 -13.880 0.648 -8.276
309 H TRP 46 HN TRP 46 -10.027 1.301 -8.207
310 HA TRP 46 HA TRP 46 -8.038 0.041 -6.631
311 HB2 TRP 46 HB2 TRP 46 -6.971 -0.079 -8.932
312 HB3 TRP 46 HB1 TRP 46 -6.984 1.680 -8.958
313 HD1 TRP 46 HD1 TRP 46 -5.405 -1.229 -6.964
314 HE1 TRP 46 HE1 TRP 46 -3.189 -0.407 -5.943
315 HE3 TRP 46 HE3 TRP 46 -5.662 3.690 -8.348
316 HZ2 TRP 46 HZ2 TRP 46 -1.742 2.013 -5.763
317 HZ3 TRP 46 HZ3 TRP 46 -3.817 5.188 -7.714
318 HH2 TRP 46 HH2 TRP 46 -1.899 4.367 -6.450
319 H ASN 47 HN ASN 47 -6.877 1.653 -5.333
320 HA ASN 47 HA ASN 47 -7.602 4.412 -5.490
321 HB2 ASN 47 HB2 ASN 47 -8.976 4.538 -3.479
322 HB3 ASN 47 HB1 ASN 47 -9.727 3.404 -4.599
323 HD21 ASN 47 HD21 ASN 47 -9.540 1.169 -4.183
324 HD22 ASN 47 HD22 ASN 47 -9.218 0.578 -2.591
325 H CYS 48 HN CYS 48 -6.593 5.647 -3.780
326 HA CYS 48 HA CYS 48 -4.525 4.156 -2.313
327 HB2 CYS 48 HB2 CYS 48 -3.607 5.842 -3.809
328 HB3 CYS 48 HB1 CYS 48 -4.663 7.065 -3.122
329 H ILE 49 HN ILE 49 -5.111 3.760 -0.299
330 HA ILE 49 HA ILE 49 -7.358 4.922 0.907
331 HB ILE 49 HB ILE 49 -6.576 3.833 3.026
332 HG12 ILE 49 HG12 ILE 49 -4.292 2.897 1.268
333 HG13 ILE 49 HG11 ILE 49 -4.159 3.957 2.665
334 HG21 ILE 49 HG21 ILE 49 -6.706 2.147 0.529
335 HG22 ILE 49 HG22 ILE 49 -8.057 2.664 1.537
336 HG23 ILE 49 HG23 ILE 49 -6.867 1.528 2.171
337 HD11 ILE 49 HD11 ILE 49 -5.014 1.075 2.681
338 HD12 ILE 49 HD12 ILE 49 -4.963 2.129 4.095
339 HD13 ILE 49 HD13 ILE 49 -3.475 1.723 3.241
340 H PHE 50 HN PHE 50 -3.953 5.771 1.116
341 HA PHE 50 HA PHE 50 -4.340 7.537 3.338
342 HB2 PHE 50 HB2 PHE 50 -2.012 7.375 1.414
343 HB3 PHE 50 HB1 PHE 50 -2.031 8.286 2.923
344 HD1 PHE 50 HD1 PHE 50 -2.651 6.892 5.052
345 HD2 PHE 50 HD2 PHE 50 -1.167 5.226 1.426
346 HE1 PHE 50 HE1 PHE 50 -1.857 4.926 6.281
347 HE2 PHE 50 HE2 PHE 50 -0.376 3.253 2.656
348 HZ PHE 50 HZ PHE 50 -0.852 3.032 5.046
349 H CYS 51 HN CYS 51 -4.282 7.955 -0.165
350 HA CYS 51 HA CYS 51 -4.398 10.803 -0.033
351 HB2 CYS 51 HB2 CYS 51 -4.819 8.802 -2.225
352 HB3 CYS 51 HB1 CYS 51 -5.332 10.465 -2.468
353 H ARG 52 HN ARG 52 -6.734 8.254 0.202
354 HA ARG 52 HA ARG 52 -9.013 9.974 -0.106
355 HB2 ARG 52 HB2 ARG 52 -9.190 7.602 -0.639
356 HB3 ARG 52 HB1 ARG 52 -8.770 7.176 1.013
357 HG2 ARG 52 HG2 ARG 52 -10.822 8.013 1.845
358 HG3 ARG 52 HG1 ARG 52 -11.206 8.792 0.309
359 HD2 ARG 52 HD2 ARG 52 -12.484 6.735 0.605
360 HD3 ARG 52 HD1 ARG 52 -11.381 6.618 -0.762
361 HE ARG 52 HE ARG 52 -10.470 5.540 1.792
362 HH11 ARG 52 HH11 ARG 52 -11.776 4.966 -1.396
363 HH12 ARG 52 HH12 ARG 52 -11.361 3.278 -1.414
364 HH21 ARG 52 HH21 ARG 52 -9.895 3.337 1.784
365 HH22 ARG 52 HH22 ARG 52 -10.251 2.360 0.397
366 H MET 53 HN MET 53 -6.804 9.292 2.391
367 HA MET 53 HA MET 53 -8.533 9.916 4.593
368 HB2 MET 53 HB2 MET 53 -5.515 9.815 4.378
369 HB3 MET 53 HB1 MET 53 -6.377 10.144 5.874
370 HG2 MET 53 HG2 MET 53 -7.426 7.965 5.783
371 HG3 MET 53 HG1 MET 53 -6.645 7.632 4.239
372 HE1 MET 53 HE1 MET 53 -5.719 5.340 5.202
373 HE2 MET 53 HE2 MET 53 -6.501 5.669 6.747
374 HE3 MET 53 HE3 MET 53 -4.798 5.208 6.701
375 H LYS 54 HN LYS 54 -9.520 11.858 4.124
376 HA LYS 54 HA LYS 54 -8.031 14.186 3.371
377 HB2 LYS 54 HB2 LYS 54 -10.423 13.775 2.756
378 HB3 LYS 54 HB1 LYS 54 -10.852 14.017 4.444
379 HG2 LYS 54 HG2 LYS 54 -9.982 16.305 4.330
380 HG3 LYS 54 HG1 LYS 54 -9.591 16.063 2.626
381 HD2 LYS 54 HD2 LYS 54 -12.344 15.915 3.858
382 HD3 LYS 54 HD1 LYS 54 -11.714 17.249 2.891
383 HE2 LYS 54 HE2 LYS 54 -11.514 15.786 0.959
384 HE3 LYS 54 HE1 LYS 54 -12.052 14.411 1.922
385 HZ1 LYS 54 HZ1 LYS 54 -14.188 15.417 2.185
386 HZ2 LYS 54 HZ2 LYS 54 -13.812 15.379 0.537
387 HZ3 LYS 54 HZ3 LYS 54 -13.683 16.829 1.400
388 H GLU 55 HN GLU 55 -6.527 14.692 4.882
389 HA GLU 55 HA GLU 55 -7.514 15.322 7.582
390 HB2 GLU 55 HB2 GLU 55 -5.989 13.334 7.494
391 HB3 GLU 55 HB1 GLU 55 -4.737 14.370 6.832
392 HG2 GLU 55 HG2 GLU 55 -4.686 15.666 8.881
393 HG3 GLU 55 HG1 GLU 55 -5.997 14.694 9.547
394 H SER 56 HN SER 56 -7.937 17.290 6.086
395 HA SER 56 HA SER 56 -5.709 18.979 5.486
396 HB2 SER 56 HB2 SER 56 -8.642 19.712 5.680
397 HB3 SER 56 HB1 SER 56 -7.381 20.633 4.864
398 HG SER 56 HG SER 56 -7.106 18.624 3.569
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 18.672 -0.865 -15.201
2 H2 GLY 1 HT2 GLY 1 17.309 -0.246 -14.424
3 H3 GLY 1 HT3 GLY 1 17.292 -1.826 -15.027
4 HA2 GLY 1 HA1 GLY 1 17.558 -1.850 -12.641
5 HA3 GLY 1 HA2 GLY 1 18.987 -2.481 -13.444
6 H ALA 2 HN ALA 2 19.717 -1.898 -11.153
7 HA ALA 2 HA ALA 2 21.108 -0.702 -9.827
8 HB1 ALA 2 HB1 ALA 2 22.626 0.889 -10.855
9 HB2 ALA 2 HB2 ALA 2 21.616 0.952 -12.298
10 HB3 ALA 2 HB3 ALA 2 22.453 -0.540 -11.875
11 H MET 3 HN MET 3 18.254 0.121 -10.173
12 HA MET 3 HA MET 3 18.535 2.866 -9.125
13 HB2 MET 3 HB2 MET 3 16.366 3.427 -10.076
14 HB3 MET 3 HB1 MET 3 17.454 2.875 -11.343
15 HG2 MET 3 HG2 MET 3 16.382 0.701 -11.352
16 HG3 MET 3 HG1 MET 3 15.335 1.193 -10.024
17 HE1 MET 3 HE1 MET 3 14.565 4.177 -10.796
18 HE2 MET 3 HE2 MET 3 13.411 2.971 -10.228
19 HE3 MET 3 HE3 MET 3 13.072 3.897 -11.688
20 H GLY 4 HN GLY 4 17.916 -0.211 -8.312
21 HA2 GLY 4 HA2 GLY 4 17.183 -0.842 -6.128
22 HA3 GLY 4 HA1 GLY 4 16.149 0.582 -6.103
23 H MET 5 HN MET 5 15.470 -2.225 -5.608
24 HA MET 5 HA MET 5 13.570 -2.634 -7.822
25 HB2 MET 5 HB2 MET 5 13.571 -5.030 -7.203
26 HB3 MET 5 HB1 MET 5 15.158 -4.461 -7.705
27 HG2 MET 5 HG2 MET 5 15.880 -4.338 -5.404
28 HG3 MET 5 HG1 MET 5 14.274 -4.801 -4.850
29 HE1 MET 5 HE1 MET 5 16.556 -7.910 -4.035
30 HE2 MET 5 HE2 MET 5 15.470 -6.695 -3.361
31 HE3 MET 5 HE3 MET 5 17.039 -6.216 -4.007
32 H ARG 6 HN ARG 6 11.470 -3.465 -7.257
33 HA ARG 6 HA ARG 6 10.596 -2.509 -4.636
34 HB2 ARG 6 HB2 ARG 6 9.043 -3.263 -7.111
35 HB3 ARG 6 HB1 ARG 6 8.290 -2.808 -5.590
36 HG2 ARG 6 HG2 ARG 6 10.161 -1.042 -7.153
37 HG3 ARG 6 HG1 ARG 6 8.404 -0.974 -7.257
38 HD2 ARG 6 HD2 ARG 6 9.079 0.741 -5.758
39 HD3 ARG 6 HD1 ARG 6 8.373 -0.542 -4.782
40 HE ARG 6 HE ARG 6 11.235 -0.718 -5.033
41 HH11 ARG 6 HH11 ARG 6 8.607 0.737 -3.231
42 HH12 ARG 6 HH12 ARG 6 9.557 0.983 -1.800
43 HH21 ARG 6 HH21 ARG 6 12.483 -0.396 -3.136
44 HH22 ARG 6 HH22 ARG 6 11.753 0.355 -1.751
45 H ASN 7 HN ASN 7 12.050 -4.684 -4.354
46 HA ASN 7 HA ASN 7 10.165 -6.908 -3.971
47 HB2 ASN 7 HB2 ASN 7 12.199 -7.500 -5.212
48 HB3 ASN 7 HB1 ASN 7 13.195 -6.880 -3.902
49 HD21 ASN 7 HD21 ASN 7 10.249 -8.807 -3.575
50 HD22 ASN 7 HD22 ASN 7 11.021 -10.171 -2.846
51 H LEU 8 HN LEU 8 9.265 -6.912 -2.030
52 HA LEU 8 HA LEU 8 10.743 -5.719 0.205
53 HB2 LEU 8 HB2 LEU 8 7.797 -6.170 -0.221
54 HB3 LEU 8 HB1 LEU 8 8.472 -5.659 1.311
55 HG LEU 8 HG LEU 8 7.657 -3.699 0.320
56 HD11 LEU 8 HD11 LEU 8 9.593 -2.321 -0.088
57 HD12 LEU 8 HD12 LEU 8 10.585 -3.752 -0.365
58 HD13 LEU 8 HD13 LEU 8 9.909 -3.443 1.235
59 HD21 LEU 8 HD21 LEU 8 8.101 -2.995 -1.961
60 HD22 LEU 8 HD22 LEU 8 7.301 -4.567 -1.931
61 HD23 LEU 8 HD23 LEU 8 9.033 -4.463 -2.247
62 H ASP 9 HN ASP 9 11.534 -7.007 1.720
63 HA ASP 9 HA ASP 9 10.798 -9.837 1.664
64 HB2 ASP 9 HB2 ASP 9 13.094 -8.398 2.994
65 HB3 ASP 9 HB1 ASP 9 12.809 -10.128 3.109
66 H GLU 10 HN GLU 10 10.683 -7.037 3.715
67 HA GLU 10 HA GLU 10 10.119 -8.533 6.106
68 HB2 GLU 10 HB2 GLU 10 9.879 -5.564 5.595
69 HB3 GLU 10 HB1 GLU 10 9.885 -6.351 7.168
70 HG2 GLU 10 HG2 GLU 10 12.160 -7.084 6.832
71 HG3 GLU 10 HG1 GLU 10 12.166 -6.405 5.207
72 H CYS 11 HN CYS 11 8.305 -6.474 3.874
73 HA CYS 11 HA CYS 11 5.773 -6.897 5.085
74 HB2 CYS 11 HB2 CYS 11 6.198 -4.993 3.650
75 HB3 CYS 11 HB1 CYS 11 6.571 -6.045 2.302
76 H GLU 12 HN GLU 12 5.227 -8.976 5.375
77 HA GLU 12 HA GLU 12 5.795 -11.077 3.577
78 HB2 GLU 12 HB2 GLU 12 3.759 -10.900 5.790
79 HB3 GLU 12 HB1 GLU 12 4.200 -12.382 4.956
80 HG2 GLU 12 HG2 GLU 12 6.484 -12.175 5.755
81 HG3 GLU 12 HG1 GLU 12 6.076 -10.658 6.555
82 H VAL 13 HN VAL 13 3.296 -8.730 3.728
83 HA VAL 13 HA VAL 13 1.296 -10.107 2.286
84 HB VAL 13 HB VAL 13 1.779 -7.132 2.446
85 HG11 VAL 13 HG11 VAL 13 -0.644 -6.976 1.987
86 HG12 VAL 13 HG12 VAL 13 -0.676 -8.718 1.719
87 HG13 VAL 13 HG13 VAL 13 0.267 -7.677 0.652
88 HG21 VAL 13 HG21 VAL 13 0.121 -8.940 4.192
89 HG22 VAL 13 HG22 VAL 13 0.130 -7.179 4.270
90 HG23 VAL 13 HG23 VAL 13 1.591 -8.085 4.658
91 H CYS 14 HN CYS 14 3.810 -7.799 1.279
92 HA CYS 14 HA CYS 14 3.211 -7.906 -1.475
93 HB2 CYS 14 HB2 CYS 14 5.583 -7.051 0.121
94 HB3 CYS 14 HB1 CYS 14 5.764 -7.251 -1.616
95 H ARG 15 HN ARG 15 5.044 -9.970 0.615
96 HA ARG 15 HA ARG 15 6.370 -11.432 -1.448
97 HB2 ARG 15 HB2 ARG 15 5.768 -12.202 1.409
98 HB3 ARG 15 HB1 ARG 15 6.850 -13.078 0.332
99 HG2 ARG 15 HG2 ARG 15 8.324 -11.165 0.205
100 HG3 ARG 15 HG1 ARG 15 7.214 -10.218 1.193
101 HD2 ARG 15 HD2 ARG 15 8.990 -10.974 2.594
102 HD3 ARG 15 HD1 ARG 15 7.541 -11.882 3.017
103 HE ARG 15 HE ARG 15 8.784 -13.478 1.203
104 HH11 ARG 15 HH11 ARG 15 9.862 -11.912 4.147
105 HH12 ARG 15 HH12 ARG 15 10.965 -13.190 4.567
106 HH21 ARG 15 HH21 ARG 15 10.252 -15.139 1.749
107 HH22 ARG 15 HH22 ARG 15 11.194 -15.011 3.201
108 H ASP 16 HN ASP 16 3.387 -11.853 0.366
109 HA ASP 16 HA ASP 16 2.631 -14.283 -0.910
110 HB2 ASP 16 HB2 ASP 16 1.699 -13.679 1.246
111 HB3 ASP 16 HB1 ASP 16 1.004 -12.209 0.579
112 H GLY 17 HN GLY 17 2.658 -11.059 -1.947
113 HA2 GLY 17 HA2 GLY 17 2.245 -10.422 -4.187
114 HA3 GLY 17 HA1 GLY 17 1.184 -11.815 -4.359
115 H GLY 18 HN GLY 18 0.768 -10.006 -1.508
116 HA2 GLY 18 HA2 GLY 18 -1.893 -9.292 -2.081
117 HA3 GLY 18 HA1 GLY 18 -0.930 -8.675 -0.749
118 H GLU 19 HN GLU 19 -2.868 -7.377 -2.583
119 HA GLU 19 HA GLU 19 -1.393 -5.639 -4.291
120 HB2 GLU 19 HB2 GLU 19 -4.223 -5.633 -3.290
121 HB3 GLU 19 HB1 GLU 19 -3.596 -4.328 -4.291
122 HG2 GLU 19 HG2 GLU 19 -3.678 -7.240 -5.047
123 HG3 GLU 19 HG1 GLU 19 -4.794 -5.996 -5.608
124 H LEU 20 HN LEU 20 -1.036 -3.442 -4.089
125 HA LEU 20 HA LEU 20 -0.819 -2.491 -1.312
126 HB2 LEU 20 HB2 LEU 20 1.249 -2.870 -2.828
127 HB3 LEU 20 HB1 LEU 20 0.729 -1.422 -3.662
128 HG LEU 20 HG LEU 20 1.314 -1.476 -0.702
129 HD11 LEU 20 HD11 LEU 20 3.315 -2.145 -1.953
130 HD12 LEU 20 HD12 LEU 20 3.498 -0.541 -1.244
131 HD13 LEU 20 HD13 LEU 20 3.159 -0.712 -2.965
132 HD21 LEU 20 HD21 LEU 20 1.148 0.780 -2.702
133 HD22 LEU 20 HD22 LEU 20 1.551 0.938 -0.995
134 HD23 LEU 20 HD23 LEU 20 -0.058 0.395 -1.473
135 H PHE 21 HN PHE 21 -2.124 -0.833 -0.776
136 HA PHE 21 HA PHE 21 -3.620 0.417 -2.966
137 HB2 PHE 21 HB2 PHE 21 -4.289 0.133 -0.025
138 HB3 PHE 21 HB1 PHE 21 -5.294 0.989 -1.196
139 HD1 PHE 21 HD2 PHE 21 -6.086 -0.343 -3.255
140 HD2 PHE 21 HD1 PHE 21 -4.567 -2.168 0.286
141 HE1 PHE 21 HE2 PHE 21 -7.154 -2.463 -3.888
142 HE2 PHE 21 HE1 PHE 21 -5.629 -4.291 -0.355
143 HZ PHE 21 HZ PHE 21 -6.923 -4.438 -2.444
144 H CYS 22 HN CYS 22 -1.400 1.608 -3.064
145 HA CYS 22 HA CYS 22 -1.896 4.287 -2.091
146 HB2 CYS 22 HB2 CYS 22 0.354 2.594 -1.074
147 HB3 CYS 22 HB1 CYS 22 0.617 4.319 -1.296
148 H CYS 23 HN CYS 23 -0.686 5.872 -3.229
149 HA CYS 23 HA CYS 23 0.191 5.216 -5.848
150 HB2 CYS 23 HB2 CYS 23 0.957 7.746 -4.392
151 HB3 CYS 23 HB1 CYS 23 0.641 7.529 -6.114
152 H ASP 24 HN ASP 24 2.450 5.818 -6.652
153 HA ASP 24 HA ASP 24 4.396 4.247 -5.463
154 HB2 ASP 24 HB2 ASP 24 4.753 4.840 -7.713
155 HB3 ASP 24 HB1 ASP 24 4.581 6.557 -7.381
156 H THR 25 HN THR 25 3.962 7.765 -5.118
157 HA THR 25 HA THR 25 6.149 8.150 -3.375
158 HB THR 25 HB THR 25 3.616 9.788 -3.457
159 HG1 THR 25 HG1 THR 25 5.744 9.538 -5.266
160 HG21 THR 25 HG21 THR 25 5.115 11.638 -2.847
161 HG22 THR 25 HG22 THR 25 6.469 10.512 -2.776
162 HG23 THR 25 HG23 THR 25 5.134 10.362 -1.632
163 H CYS 26 HN CYS 26 2.690 7.684 -2.746
164 HA CYS 26 HA CYS 26 2.806 7.942 0.044
165 HB2 CYS 26 HB2 CYS 26 0.768 6.407 -1.580
166 HB3 CYS 26 HB1 CYS 26 0.535 7.092 0.027
167 H SER 27 HN SER 27 3.175 5.123 -2.042
168 HA SER 27 HA SER 27 2.915 3.177 0.012
169 HB2 SER 27 HB2 SER 27 3.930 1.639 -1.686
170 HB3 SER 27 HB1 SER 27 2.538 2.544 -2.278
171 HG SER 27 HG SER 27 3.807 3.180 -3.808
172 H ARG 28 HN ARG 28 5.618 5.010 -1.223
173 HA ARG 28 HA ARG 28 7.694 3.405 -0.183
174 HB2 ARG 28 HB2 ARG 28 7.601 6.337 -0.870
175 HB3 ARG 28 HB1 ARG 28 9.074 5.487 -0.431
176 HG2 ARG 28 HG2 ARG 28 8.892 4.078 -2.372
177 HG3 ARG 28 HG1 ARG 28 7.325 4.784 -2.780
178 HD2 ARG 28 HD2 ARG 28 8.455 6.996 -2.965
179 HD3 ARG 28 HD1 ARG 28 9.998 6.177 -2.740
180 HE ARG 28 HE ARG 28 8.327 5.227 -4.926
181 HH11 ARG 28 HH11 ARG 28 10.997 7.251 -3.917
182 HH12 ARG 28 HH12 ARG 28 11.691 7.348 -5.501
183 HH21 ARG 28 HH21 ARG 28 9.224 5.355 -7.007
184 HH22 ARG 28 HH22 ARG 28 10.679 6.266 -7.268
185 H VAL 29 HN VAL 29 5.754 5.959 1.195
186 HA VAL 29 HA VAL 29 7.553 6.196 3.466
187 HB VAL 29 HB VAL 29 6.002 8.067 4.173
188 HG11 VAL 29 HG11 VAL 29 6.945 9.624 2.516
189 HG12 VAL 29 HG12 VAL 29 7.425 8.247 1.523
190 HG13 VAL 29 HG13 VAL 29 8.143 8.479 3.116
191 HG21 VAL 29 HG21 VAL 29 4.956 7.691 1.369
192 HG22 VAL 29 HG22 VAL 29 4.570 9.027 2.451
193 HG23 VAL 29 HG23 VAL 29 4.052 7.390 2.852
194 H PHE 30 HN PHE 30 4.241 5.141 2.792
195 HA PHE 30 HA PHE 30 4.131 4.220 5.598
196 HB2 PHE 30 HB2 PHE 30 1.690 4.941 3.976
197 HB3 PHE 30 HB1 PHE 30 1.796 4.656 5.708
198 HD1 PHE 30 HD2 PHE 30 3.782 6.312 6.751
199 HD2 PHE 30 HD1 PHE 30 1.189 7.135 3.470
200 HE1 PHE 30 HE2 PHE 30 4.059 8.725 7.137
201 HE2 PHE 30 HE1 PHE 30 1.472 9.548 3.852
202 HZ PHE 30 HZ PHE 30 2.821 10.356 5.676
203 H HIS 31 HN HIS 31 5.253 2.578 3.788
204 HA HIS 31 HA HIS 31 3.716 1.087 2.064
205 HB2 HIS 31 HB2 HIS 31 6.195 1.021 2.261
206 HB3 HIS 31 HB1 HIS 31 6.022 0.058 3.720
207 HD1 HIS 31 HD1 HIS 31 5.238 -0.200 -0.008
208 HD2 HIS 31 HD2 HIS 31 5.940 -2.602 3.308
209 HE1 HIS 31 HE1 HIS 31 5.430 -2.574 -0.875
210 H GLU 32 HN GLU 32 4.308 0.410 5.511
211 HA GLU 32 HA GLU 32 3.051 -2.137 5.446
212 HB2 GLU 32 HB2 GLU 32 3.562 -0.336 7.816
213 HB3 GLU 32 HB1 GLU 32 3.190 -2.052 7.885
214 HG2 GLU 32 HG2 GLU 32 5.270 -2.512 6.636
215 HG3 GLU 32 HG1 GLU 32 5.652 -0.793 6.703
216 H ASP 33 HN ASP 33 1.989 1.068 6.408
217 HA ASP 33 HA ASP 33 -0.617 0.265 7.235
218 HB2 ASP 33 HB2 ASP 33 0.549 2.949 6.515
219 HB3 ASP 33 HB1 ASP 33 -1.131 2.752 7.003
220 H CYS 34 HN CYS 34 0.833 0.993 4.206
221 HA CYS 34 HA CYS 34 -1.572 1.531 2.768
222 HB2 CYS 34 HB2 CYS 34 1.252 0.907 1.954
223 HB3 CYS 34 HB1 CYS 34 -0.033 1.098 0.760
224 H HIS 35 HN HIS 35 -0.385 -1.291 4.082
225 HA HIS 35 HA HIS 35 -1.905 -2.927 2.157
226 HB2 HIS 35 HB2 HIS 35 0.157 -3.773 4.208
227 HB3 HIS 35 HB1 HIS 35 -0.771 -4.883 3.208
228 HD1 HIS 35 HD1 HIS 35 -0.100 -5.022 0.658
229 HD2 HIS 35 HD2 HIS 35 2.206 -2.429 2.943
230 HE1 HIS 35 HE1 HIS 35 1.946 -4.471 -0.729
231 H ILE 36 HN ILE 36 -2.793 -1.163 4.447
232 HA ILE 36 HA ILE 36 -4.475 -3.172 5.793
233 HB ILE 36 HB ILE 36 -3.297 -0.695 7.080
234 HG12 ILE 36 HG12 ILE 36 -2.713 -3.627 7.556
235 HG13 ILE 36 HG11 ILE 36 -1.629 -2.468 6.796
236 HG21 ILE 36 HG21 ILE 36 -5.546 -1.213 7.896
237 HG22 ILE 36 HG22 ILE 36 -4.327 -1.487 9.140
238 HG23 ILE 36 HG23 ILE 36 -5.027 -2.855 8.279
239 HD11 ILE 36 HD11 ILE 36 -1.489 -1.226 8.888
240 HD12 ILE 36 HD12 ILE 36 -0.999 -2.904 9.100
241 HD13 ILE 36 HD13 ILE 36 -2.588 -2.375 9.647
242 HA PRO 37 HA PRO 37 -6.420 -3.291 6.870
243 HB2 PRO 37 HB2 PRO 37 -8.838 -3.676 5.245
244 HB3 PRO 37 HB1 PRO 37 -8.685 -3.529 7.001
245 HG2 PRO 37 HG2 PRO 37 -9.789 -1.587 5.503
246 HG3 PRO 37 HG1 PRO 37 -8.821 -1.220 6.943
247 HD2 PRO 37 HD2 PRO 37 -8.026 -1.121 4.052
248 HD3 PRO 37 HD1 PRO 37 -7.686 0.042 5.353
249 HA PRO 38 HA PRO 38 -4.995 -6.135 3.768
250 HB2 PRO 38 HB2 PRO 38 -5.335 -8.386 5.490
251 HB3 PRO 38 HB1 PRO 38 -3.855 -7.477 5.181
252 HG2 PRO 38 HG2 PRO 38 -5.215 -7.545 7.599
253 HG3 PRO 38 HG1 PRO 38 -4.042 -6.310 7.117
254 HD2 PRO 38 HD2 PRO 38 -7.028 -6.202 7.093
255 HD3 PRO 38 HD1 PRO 38 -5.850 -4.921 7.448
256 H VAL 39 HN VAL 39 -7.838 -5.510 3.754
257 HA VAL 39 HA VAL 39 -9.275 -7.997 3.520
258 HB VAL 39 HB VAL 39 -10.094 -5.192 2.725
259 HG11 VAL 39 HG11 VAL 39 -11.346 -6.924 1.508
260 HG12 VAL 39 HG12 VAL 39 -12.367 -6.043 2.644
261 HG13 VAL 39 HG13 VAL 39 -11.796 -7.662 3.045
262 HG21 VAL 39 HG21 VAL 39 -9.658 -5.479 5.134
263 HG22 VAL 39 HG22 VAL 39 -10.824 -6.802 5.169
264 HG23 VAL 39 HG23 VAL 39 -11.358 -5.165 4.790
265 H GLU 40 HN GLU 40 -7.879 -5.583 1.343
266 HA GLU 40 HA GLU 40 -7.434 -5.600 -0.888
267 HB2 GLU 40 HB2 GLU 40 -5.951 -7.435 -0.112
268 HB3 GLU 40 HB1 GLU 40 -7.238 -8.587 -0.420
269 HG2 GLU 40 HG2 GLU 40 -7.158 -8.029 -2.802
270 HG3 GLU 40 HG1 GLU 40 -5.842 -6.899 -2.484
271 H ALA 41 HN ALA 41 -9.830 -5.024 -0.836
272 HA ALA 41 HA ALA 41 -11.851 -6.895 -1.307
273 HB1 ALA 41 HB1 ALA 41 -11.838 -3.974 -2.051
274 HB2 ALA 41 HB2 ALA 41 -12.249 -4.628 -0.465
275 HB3 ALA 41 HB3 ALA 41 -13.258 -5.002 -1.861
276 H GLU 42 HN GLU 42 -11.845 -8.248 -2.949
277 HA GLU 42 HA GLU 42 -12.160 -9.043 -5.045
278 HB2 GLU 42 HB2 GLU 42 -12.365 -6.157 -5.915
279 HB3 GLU 42 HB1 GLU 42 -12.905 -7.562 -6.821
280 HG2 GLU 42 HG2 GLU 42 -14.028 -6.606 -4.197
281 HG3 GLU 42 HG1 GLU 42 -14.772 -6.407 -5.782
282 H ARG 43 HN ARG 43 -9.535 -7.479 -4.047
283 HA ARG 43 HA ARG 43 -7.369 -7.316 -4.685
284 HB2 ARG 43 HB2 ARG 43 -8.166 -9.283 -6.837
285 HB3 ARG 43 HB1 ARG 43 -6.516 -8.873 -6.392
286 HG2 ARG 43 HG2 ARG 43 -6.950 -9.748 -4.121
287 HG3 ARG 43 HG1 ARG 43 -8.557 -10.243 -4.654
288 HD2 ARG 43 HD2 ARG 43 -5.929 -11.195 -5.783
289 HD3 ARG 43 HD1 ARG 43 -6.999 -12.114 -4.725
290 HE ARG 43 HE ARG 43 -8.542 -11.415 -6.888
291 HH11 ARG 43 HH11 ARG 43 -5.577 -13.204 -6.384
292 HH12 ARG 43 HH12 ARG 43 -5.809 -14.226 -7.764
293 HH21 ARG 43 HH21 ARG 43 -8.852 -12.758 -8.711
294 HH22 ARG 43 HH22 ARG 43 -7.673 -13.972 -9.094
295 H THR 44 HN THR 44 -9.736 -5.944 -6.326
296 HA THR 44 HA THR 44 -7.986 -4.431 -8.069
297 HB THR 44 HB THR 44 -9.728 -4.770 -9.979
298 HG1 THR 44 HG1 THR 44 -10.168 -7.068 -8.351
299 HG21 THR 44 HG21 THR 44 -7.407 -5.491 -10.181
300 HG22 THR 44 HG22 THR 44 -8.486 -6.702 -10.872
301 HG23 THR 44 HG23 THR 44 -7.769 -6.964 -9.283
302 HA PRO 45 HA PRO 45 -8.330 -3.100 -9.674
303 HB2 PRO 45 HB2 PRO 45 -8.570 -0.302 -10.033
304 HB3 PRO 45 HB1 PRO 45 -9.242 -1.566 -11.068
305 HG2 PRO 45 HG2 PRO 45 -10.720 0.234 -9.517
306 HG3 PRO 45 HG1 PRO 45 -11.333 -1.270 -10.239
307 HD2 PRO 45 HD2 PRO 45 -10.430 -0.738 -7.432
308 HD3 PRO 45 HD1 PRO 45 -11.740 -1.786 -8.019
309 H TRP 46 HN TRP 46 -8.462 0.025 -8.047
310 HA TRP 46 HA TRP 46 -6.259 -0.444 -6.314
311 HB2 TRP 46 HB2 TRP 46 -4.972 -0.293 -8.400
312 HB3 TRP 46 HB1 TRP 46 -5.779 1.213 -8.811
313 HD1 TRP 46 HD1 TRP 46 -3.123 -0.185 -6.413
314 HE1 TRP 46 HE1 TRP 46 -1.713 1.777 -5.531
315 HE3 TRP 46 HE3 TRP 46 -5.803 3.700 -8.390
316 HZ2 TRP 46 HZ2 TRP 46 -1.739 4.600 -5.651
317 HZ3 TRP 46 HZ3 TRP 46 -5.039 5.998 -7.959
318 HH2 TRP 46 HH2 TRP 46 -3.052 6.438 -6.619
319 H ASN 47 HN ASN 47 -6.117 1.183 -4.791
320 HA ASN 47 HA ASN 47 -7.179 3.801 -5.279
321 HB2 ASN 47 HB2 ASN 47 -8.904 3.798 -3.583
322 HB3 ASN 47 HB1 ASN 47 -9.237 2.458 -4.673
323 HD21 ASN 47 HD21 ASN 47 -8.413 3.399 -1.472
324 HD22 ASN 47 HD22 ASN 47 -8.487 1.826 -0.756
325 H CYS 48 HN CYS 48 -6.247 5.278 -3.881
326 HA CYS 48 HA CYS 48 -4.291 4.156 -2.013
327 HB2 CYS 48 HB2 CYS 48 -3.419 5.725 -3.669
328 HB3 CYS 48 HB1 CYS 48 -4.566 6.946 -3.145
329 H ILE 49 HN ILE 49 -5.000 3.917 -0.035
330 HA ILE 49 HA ILE 49 -7.318 5.103 1.001
331 HB ILE 49 HB ILE 49 -6.471 4.307 3.243
332 HG12 ILE 49 HG12 ILE 49 -4.210 3.196 1.561
333 HG13 ILE 49 HG11 ILE 49 -4.060 4.493 2.740
334 HG21 ILE 49 HG21 ILE 49 -6.699 1.909 2.660
335 HG22 ILE 49 HG22 ILE 49 -6.600 2.344 0.956
336 HG23 ILE 49 HG23 ILE 49 -7.943 2.926 1.935
337 HD11 ILE 49 HD11 ILE 49 -3.274 2.423 3.668
338 HD12 ILE 49 HD12 ILE 49 -4.811 1.640 3.301
339 HD13 ILE 49 HD13 ILE 49 -4.742 2.932 4.501
340 H PHE 50 HN PHE 50 -3.943 6.101 1.199
341 HA PHE 50 HA PHE 50 -4.443 8.046 3.231
342 HB2 PHE 50 HB2 PHE 50 -2.083 7.417 1.489
343 HB3 PHE 50 HB1 PHE 50 -2.106 8.891 2.459
344 HD1 PHE 50 HD1 PHE 50 -2.079 8.795 4.878
345 HD2 PHE 50 HD2 PHE 50 -1.933 5.237 2.542
346 HE1 PHE 50 HE1 PHE 50 -1.386 7.527 6.864
347 HE2 PHE 50 HE2 PHE 50 -1.238 3.964 4.527
348 HZ PHE 50 HZ PHE 50 -0.966 5.111 6.692
349 H CYS 51 HN CYS 51 -4.263 8.188 -0.304
350 HA CYS 51 HA CYS 51 -4.507 11.034 -0.367
351 HB2 CYS 51 HB2 CYS 51 -4.761 8.887 -2.451
352 HB3 CYS 51 HB1 CYS 51 -5.253 10.539 -2.813
353 H ARG 52 HN ARG 52 -6.746 8.385 -0.180
354 HA ARG 52 HA ARG 52 -9.048 10.084 -0.628
355 HB2 ARG 52 HB2 ARG 52 -8.973 7.662 -1.286
356 HB3 ARG 52 HB1 ARG 52 -8.938 7.248 0.419
357 HG2 ARG 52 HG2 ARG 52 -11.162 6.965 -0.323
358 HG3 ARG 52 HG1 ARG 52 -11.133 8.425 0.665
359 HD2 ARG 52 HD2 ARG 52 -10.929 8.472 -2.341
360 HD3 ARG 52 HD1 ARG 52 -12.467 8.541 -1.487
361 HE ARG 52 HE ARG 52 -11.112 10.564 -0.357
362 HH11 ARG 52 HH11 ARG 52 -11.637 9.675 -3.698
363 HH12 ARG 52 HH12 ARG 52 -11.583 11.312 -4.275
364 HH21 ARG 52 HH21 ARG 52 -11.050 12.728 -1.116
365 HH22 ARG 52 HH22 ARG 52 -11.246 13.044 -2.813
366 H MET 53 HN MET 53 -6.929 9.513 1.839
367 HA MET 53 HA MET 53 -6.821 9.921 4.060
368 HB2 MET 53 HB2 MET 53 -9.281 11.571 3.455
369 HB3 MET 53 HB1 MET 53 -8.460 11.574 5.010
370 HG2 MET 53 HG2 MET 53 -6.415 12.371 3.908
371 HG3 MET 53 HG1 MET 53 -7.274 12.410 2.370
372 HE1 MET 53 HE1 MET 53 -8.624 13.426 5.957
373 HE2 MET 53 HE2 MET 53 -8.234 15.145 5.965
374 HE3 MET 53 HE3 MET 53 -6.940 13.947 5.947
375 H LYS 54 HN LYS 54 -8.287 7.629 3.041
376 HA LYS 54 HA LYS 54 -9.534 5.884 3.719
377 HB2 LYS 54 HB2 LYS 54 -9.084 7.191 6.393
378 HB3 LYS 54 HB1 LYS 54 -9.942 5.669 6.216
379 HG2 LYS 54 HG2 LYS 54 -7.954 4.671 5.191
380 HG3 LYS 54 HG1 LYS 54 -7.092 6.198 5.389
381 HD2 LYS 54 HD2 LYS 54 -6.548 4.579 7.162
382 HD3 LYS 54 HD1 LYS 54 -7.305 6.039 7.801
383 HE2 LYS 54 HE2 LYS 54 -8.193 4.014 8.863
384 HE3 LYS 54 HE1 LYS 54 -9.439 4.881 7.971
385 HZ1 LYS 54 HZ1 LYS 54 -8.005 2.442 7.076
386 HZ2 LYS 54 HZ2 LYS 54 -9.113 3.301 6.134
387 HZ3 LYS 54 HZ3 LYS 54 -9.625 2.541 7.552
388 H GLU 55 HN GLU 55 -11.611 5.284 5.030
389 HA GLU 55 HA GLU 55 -13.489 7.447 5.339
390 HB2 GLU 55 HB2 GLU 55 -13.618 6.946 2.909
391 HB3 GLU 55 HB1 GLU 55 -14.043 5.285 3.298
392 HG2 GLU 55 HG2 GLU 55 -16.022 6.188 4.537
393 HG3 GLU 55 HG1 GLU 55 -15.636 7.769 3.865
394 H SER 56 HN SER 56 -14.375 6.991 7.216
395 HA SER 56 HA SER 56 -15.677 4.469 7.659
396 HB2 SER 56 HB2 SER 56 -13.267 4.090 8.366
397 HB3 SER 56 HB1 SER 56 -13.526 5.300 9.622
398 HG SER 56 HG SER 56 -14.527 3.855 10.760
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 20.230 -3.287 -3.352
2 H2 GLY 1 HT2 GLY 1 20.933 -1.979 -2.544
3 H3 GLY 1 HT3 GLY 1 20.404 -1.801 -4.138
4 HA2 GLY 1 HA1 GLY 1 18.117 -2.166 -3.447
5 HA3 GLY 1 HA2 GLY 1 18.676 -2.320 -1.789
6 H ALA 2 HN ALA 2 17.623 -0.601 -0.939
7 HA ALA 2 HA ALA 2 17.193 1.525 -0.317
8 HB1 ALA 2 HB1 ALA 2 19.613 1.774 -0.168
9 HB2 ALA 2 HB2 ALA 2 18.859 3.268 -0.725
10 HB3 ALA 2 HB3 ALA 2 19.684 2.215 -1.874
11 H MET 3 HN MET 3 18.589 2.453 -3.442
12 HA MET 3 HA MET 3 15.993 3.614 -4.147
13 HB2 MET 3 HB2 MET 3 17.903 5.128 -4.258
14 HB3 MET 3 HB1 MET 3 18.734 4.030 -5.351
15 HG2 MET 3 HG2 MET 3 16.978 4.377 -7.025
16 HG3 MET 3 HG1 MET 3 16.171 5.500 -5.933
17 HE1 MET 3 HE1 MET 3 16.210 7.261 -8.021
18 HE2 MET 3 HE2 MET 3 17.078 6.059 -8.975
19 HE3 MET 3 HE3 MET 3 17.700 7.704 -8.855
20 H GLY 4 HN GLY 4 14.715 2.643 -5.559
21 HA2 GLY 4 HA2 GLY 4 14.475 1.773 -7.819
22 HA3 GLY 4 HA1 GLY 4 15.962 0.871 -7.562
23 H MET 5 HN MET 5 15.926 -1.027 -6.383
24 HA MET 5 HA MET 5 13.560 -2.540 -6.664
25 HB2 MET 5 HB2 MET 5 15.810 -3.533 -6.768
26 HB3 MET 5 HB1 MET 5 16.050 -3.162 -5.067
27 HG2 MET 5 HG2 MET 5 14.103 -4.621 -4.540
28 HG3 MET 5 HG1 MET 5 14.061 -5.087 -6.238
29 HE1 MET 5 HE1 MET 5 15.988 -5.257 -2.860
30 HE2 MET 5 HE2 MET 5 17.168 -4.422 -3.871
31 HE3 MET 5 HE3 MET 5 17.490 -6.063 -3.313
32 H ARG 6 HN ARG 6 11.820 -2.508 -5.407
33 HA ARG 6 HA ARG 6 11.869 -1.513 -2.717
34 HB2 ARG 6 HB2 ARG 6 9.724 -2.983 -4.261
35 HB3 ARG 6 HB1 ARG 6 9.500 -2.300 -2.661
36 HG2 ARG 6 HG2 ARG 6 10.256 -0.686 -5.085
37 HG3 ARG 6 HG1 ARG 6 8.599 -0.919 -4.527
38 HD2 ARG 6 HD2 ARG 6 9.242 1.146 -3.630
39 HD3 ARG 6 HD1 ARG 6 9.403 0.012 -2.295
40 HE ARG 6 HE ARG 6 11.794 0.597 -3.862
41 HH11 ARG 6 HH11 ARG 6 9.951 1.079 -0.927
42 HH12 ARG 6 HH12 ARG 6 11.288 1.733 -0.039
43 HH21 ARG 6 HH21 ARG 6 13.562 1.483 -2.694
44 HH22 ARG 6 HH22 ARG 6 13.339 1.957 -1.040
45 H ASN 7 HN ASN 7 12.730 -2.671 -1.105
46 HA ASN 7 HA ASN 7 13.041 -5.517 -1.281
47 HB2 ASN 7 HB2 ASN 7 13.466 -3.653 1.066
48 HB3 ASN 7 HB1 ASN 7 13.921 -5.348 1.029
49 HD21 ASN 7 HD21 ASN 7 14.664 -2.159 -0.112
50 HD22 ASN 7 HD22 ASN 7 16.225 -2.540 -0.743
51 H LEU 8 HN LEU 8 11.204 -6.653 -1.258
52 HA LEU 8 HA LEU 8 9.028 -5.886 0.516
53 HB2 LEU 8 HB2 LEU 8 9.162 -8.143 -1.480
54 HB3 LEU 8 HB1 LEU 8 7.720 -7.541 -0.683
55 HG LEU 8 HG LEU 8 9.394 -5.990 -2.663
56 HD11 LEU 8 HD11 LEU 8 8.204 -7.808 -3.735
57 HD12 LEU 8 HD12 LEU 8 7.475 -6.259 -4.156
58 HD13 LEU 8 HD13 LEU 8 6.700 -7.302 -2.966
59 HD21 LEU 8 HD21 LEU 8 7.559 -4.372 -2.600
60 HD22 LEU 8 HD22 LEU 8 8.338 -4.538 -1.028
61 HD23 LEU 8 HD23 LEU 8 6.780 -5.308 -1.325
62 H ASP 9 HN ASP 9 11.495 -6.890 1.596
63 HA ASP 9 HA ASP 9 11.092 -9.654 2.310
64 HB2 ASP 9 HB2 ASP 9 13.342 -8.700 1.816
65 HB3 ASP 9 HB1 ASP 9 13.205 -7.722 3.271
66 H GLU 10 HN GLU 10 10.357 -6.567 3.620
67 HA GLU 10 HA GLU 10 10.023 -7.605 6.327
68 HB2 GLU 10 HB2 GLU 10 9.732 -4.823 5.183
69 HB3 GLU 10 HB1 GLU 10 9.501 -5.231 6.876
70 HG2 GLU 10 HG2 GLU 10 12.068 -5.751 5.419
71 HG3 GLU 10 HG1 GLU 10 11.725 -4.226 6.236
72 H CYS 11 HN CYS 11 8.306 -7.115 3.489
73 HA CYS 11 HA CYS 11 5.732 -6.757 4.855
74 HB2 CYS 11 HB2 CYS 11 6.500 -5.091 3.107
75 HB3 CYS 11 HB1 CYS 11 6.324 -6.373 1.925
76 H GLU 12 HN GLU 12 5.232 -8.860 5.372
77 HA GLU 12 HA GLU 12 5.705 -11.109 3.774
78 HB2 GLU 12 HB2 GLU 12 5.134 -11.049 6.239
79 HB3 GLU 12 HB1 GLU 12 3.461 -10.800 5.763
80 HG2 GLU 12 HG2 GLU 12 3.761 -13.108 6.252
81 HG3 GLU 12 HG1 GLU 12 3.564 -12.942 4.508
82 H VAL 13 HN VAL 13 3.030 -8.847 3.897
83 HA VAL 13 HA VAL 13 1.244 -10.410 2.358
84 HB VAL 13 HB VAL 13 0.302 -8.714 3.728
85 HG11 VAL 13 HG11 VAL 13 2.254 -7.199 3.718
86 HG12 VAL 13 HG12 VAL 13 0.714 -6.375 3.509
87 HG13 VAL 13 HG13 VAL 13 1.764 -6.641 2.119
88 HG21 VAL 13 HG21 VAL 13 -0.879 -9.153 1.634
89 HG22 VAL 13 HG22 VAL 13 0.030 -7.856 0.855
90 HG23 VAL 13 HG23 VAL 13 -1.095 -7.484 2.162
91 H CYS 14 HN CYS 14 3.568 -7.860 1.440
92 HA CYS 14 HA CYS 14 2.917 -7.844 -1.308
93 HB2 CYS 14 HB2 CYS 14 5.234 -6.964 0.312
94 HB3 CYS 14 HB1 CYS 14 5.537 -7.248 -1.394
95 H ARG 15 HN ARG 15 5.084 -9.783 0.617
96 HA ARG 15 HA ARG 15 6.368 -11.200 -1.439
97 HB2 ARG 15 HB2 ARG 15 7.154 -11.169 0.871
98 HB3 ARG 15 HB1 ARG 15 5.706 -12.016 1.392
99 HG2 ARG 15 HG2 ARG 15 6.388 -13.963 0.073
100 HG3 ARG 15 HG1 ARG 15 7.866 -13.113 -0.395
101 HD2 ARG 15 HD2 ARG 15 8.501 -12.935 1.959
102 HD3 ARG 15 HD1 ARG 15 7.026 -13.779 2.421
103 HE ARG 15 HE ARG 15 8.912 -15.152 0.649
104 HH11 ARG 15 HH11 ARG 15 7.368 -14.846 3.782
105 HH12 ARG 15 HH12 ARG 15 8.014 -16.348 4.381
106 HH21 ARG 15 HH21 ARG 15 9.742 -17.139 1.432
107 HH22 ARG 15 HH22 ARG 15 9.341 -17.660 3.040
108 H ASP 16 HN ASP 16 3.379 -11.775 0.315
109 HA ASP 16 HA ASP 16 2.716 -14.210 -0.974
110 HB2 ASP 16 HB2 ASP 16 1.754 -13.581 1.177
111 HB3 ASP 16 HB1 ASP 16 0.964 -12.191 0.445
112 H GLY 17 HN GLY 17 2.657 -11.005 -2.074
113 HA2 GLY 17 HA2 GLY 17 2.151 -10.395 -4.302
114 HA3 GLY 17 HA1 GLY 17 1.131 -11.822 -4.437
115 H GLY 18 HN GLY 18 0.810 -9.944 -1.609
116 HA2 GLY 18 HA2 GLY 18 -1.903 -9.345 -2.028
117 HA3 GLY 18 HA1 GLY 18 -0.881 -8.647 -0.783
118 H GLU 19 HN GLU 19 -2.855 -7.178 -1.950
119 HA GLU 19 HA GLU 19 -1.750 -5.630 -4.134
120 HB2 GLU 19 HB2 GLU 19 -4.353 -5.317 -2.632
121 HB3 GLU 19 HB1 GLU 19 -3.916 -4.488 -4.121
122 HG2 GLU 19 HG2 GLU 19 -3.767 -6.680 -5.249
123 HG3 GLU 19 HG1 GLU 19 -4.321 -7.446 -3.761
124 H LEU 20 HN LEU 20 -1.250 -3.463 -4.058
125 HA LEU 20 HA LEU 20 -0.830 -2.366 -1.357
126 HB2 LEU 20 HB2 LEU 20 1.099 -2.853 -3.078
127 HB3 LEU 20 HB1 LEU 20 0.568 -1.350 -3.804
128 HG LEU 20 HG LEU 20 1.519 -1.648 -0.950
129 HD11 LEU 20 HD11 LEU 20 2.914 -0.490 -3.361
130 HD12 LEU 20 HD12 LEU 20 3.308 -2.021 -2.578
131 HD13 LEU 20 HD13 LEU 20 3.528 -0.501 -1.708
132 HD21 LEU 20 HD21 LEU 20 1.554 0.779 -0.924
133 HD22 LEU 20 HD22 LEU 20 -0.074 0.194 -1.268
134 HD23 LEU 20 HD23 LEU 20 0.930 0.828 -2.572
135 H PHE 21 HN PHE 21 -2.092 -0.690 -0.823
136 HA PHE 21 HA PHE 21 -3.680 0.537 -2.970
137 HB2 PHE 21 HB2 PHE 21 -4.202 0.381 0.010
138 HB3 PHE 21 HB1 PHE 21 -5.278 1.128 -1.171
139 HD1 PHE 21 HD2 PHE 21 -5.503 -0.642 -3.338
140 HD2 PHE 21 HD1 PHE 21 -5.053 -1.610 0.785
141 HE1 PHE 21 HE2 PHE 21 -6.577 -2.816 -3.736
142 HE2 PHE 21 HE1 PHE 21 -6.128 -3.789 0.390
143 HZ PHE 21 HZ PHE 21 -6.891 -4.389 -1.870
144 H CYS 22 HN CYS 22 -1.405 1.715 -3.134
145 HA CYS 22 HA CYS 22 -1.837 4.369 -2.060
146 HB2 CYS 22 HB2 CYS 22 0.381 2.588 -1.153
147 HB3 CYS 22 HB1 CYS 22 0.729 4.299 -1.373
148 H CYS 23 HN CYS 23 -0.748 5.990 -3.205
149 HA CYS 23 HA CYS 23 0.258 5.485 -5.805
150 HB2 CYS 23 HB2 CYS 23 1.040 7.917 -4.211
151 HB3 CYS 23 HB1 CYS 23 0.679 7.797 -5.931
152 H ASP 24 HN ASP 24 2.544 5.811 -6.502
153 HA ASP 24 HA ASP 24 4.292 4.155 -5.181
154 HB2 ASP 24 HB2 ASP 24 4.865 6.427 -7.071
155 HB3 ASP 24 HB1 ASP 24 6.134 5.373 -6.455
156 H THR 25 HN THR 25 4.218 7.702 -4.932
157 HA THR 25 HA THR 25 6.318 8.000 -3.116
158 HB THR 25 HB THR 25 3.846 9.718 -3.087
159 HG1 THR 25 HG1 THR 25 5.850 9.442 -5.061
160 HG21 THR 25 HG21 THR 25 6.770 10.371 -2.711
161 HG22 THR 25 HG22 THR 25 5.601 10.159 -1.409
162 HG23 THR 25 HG23 THR 25 5.418 11.491 -2.549
163 H CYS 26 HN CYS 26 2.842 7.610 -2.545
164 HA CYS 26 HA CYS 26 2.918 7.765 0.259
165 HB2 CYS 26 HB2 CYS 26 0.908 6.330 -1.493
166 HB3 CYS 26 HB1 CYS 26 0.643 6.871 0.161
167 H SER 27 HN SER 27 3.183 5.055 -1.979
168 HA SER 27 HA SER 27 3.154 2.975 -0.072
169 HB2 SER 27 HB2 SER 27 4.533 2.998 -2.765
170 HB3 SER 27 HB1 SER 27 3.977 1.585 -1.871
171 HG SER 27 HG SER 27 2.570 2.352 -3.607
172 H ARG 28 HN ARG 28 5.694 5.051 -1.297
173 HA ARG 28 HA ARG 28 7.849 3.486 -0.296
174 HB2 ARG 28 HB2 ARG 28 7.636 6.294 -1.334
175 HB3 ARG 28 HB1 ARG 28 9.154 5.637 -0.733
176 HG2 ARG 28 HG2 ARG 28 9.209 3.979 -2.427
177 HG3 ARG 28 HG1 ARG 28 7.547 4.322 -2.908
178 HD2 ARG 28 HD2 ARG 28 9.167 5.268 -4.480
179 HD3 ARG 28 HD1 ARG 28 8.205 6.519 -3.695
180 HE ARG 28 HE ARG 28 10.254 6.684 -2.149
181 HH11 ARG 28 HH11 ARG 28 10.411 5.875 -5.554
182 HH12 ARG 28 HH12 ARG 28 11.956 6.625 -5.787
183 HH21 ARG 28 HH21 ARG 28 12.279 7.659 -2.446
184 HH22 ARG 28 HH22 ARG 28 13.020 7.645 -4.014
185 H VAL 29 HN VAL 29 5.820 5.921 1.108
186 HA VAL 29 HA VAL 29 7.700 6.217 3.328
187 HB VAL 29 HB VAL 29 6.220 8.121 4.043
188 HG11 VAL 29 HG11 VAL 29 7.087 9.638 2.299
189 HG12 VAL 29 HG12 VAL 29 7.523 8.232 1.326
190 HG13 VAL 29 HG13 VAL 29 8.307 8.506 2.883
191 HG21 VAL 29 HG21 VAL 29 4.712 9.075 2.380
192 HG22 VAL 29 HG22 VAL 29 4.196 7.451 2.834
193 HG23 VAL 29 HG23 VAL 29 5.027 7.716 1.302
194 H PHE 30 HN PHE 30 4.319 5.284 2.713
195 HA PHE 30 HA PHE 30 4.214 4.378 5.527
196 HB2 PHE 30 HB2 PHE 30 1.781 5.042 3.872
197 HB3 PHE 30 HB1 PHE 30 1.882 4.829 5.614
198 HD1 PHE 30 HD2 PHE 30 4.014 6.533 6.455
199 HD2 PHE 30 HD1 PHE 30 1.112 7.210 3.411
200 HE1 PHE 30 HE2 PHE 30 4.281 8.959 6.744
201 HE2 PHE 30 HE1 PHE 30 1.381 9.638 3.695
202 HZ PHE 30 HZ PHE 30 2.872 10.524 5.336
203 H HIS 31 HN HIS 31 5.320 2.740 3.611
204 HA HIS 31 HA HIS 31 3.715 1.221 1.988
205 HB2 HIS 31 HB2 HIS 31 6.208 1.171 2.061
206 HB3 HIS 31 HB1 HIS 31 6.108 0.186 3.513
207 HD1 HIS 31 HD1 HIS 31 4.980 -0.028 -0.146
208 HD2 HIS 31 HD2 HIS 31 6.104 -2.450 3.038
209 HE1 HIS 31 HE1 HIS 31 5.104 -2.390 -1.055
210 H GLU 32 HN GLU 32 4.496 0.548 5.395
211 HA GLU 32 HA GLU 32 3.276 -2.008 5.406
212 HB2 GLU 32 HB2 GLU 32 3.937 -0.146 7.689
213 HB3 GLU 32 HB1 GLU 32 3.441 -1.823 7.880
214 HG2 GLU 32 HG2 GLU 32 5.404 -2.580 6.702
215 HG3 GLU 32 HG1 GLU 32 5.884 -0.916 6.375
216 H ASP 33 HN ASP 33 2.165 1.190 6.380
217 HA ASP 33 HA ASP 33 -0.407 0.309 7.253
218 HB2 ASP 33 HB2 ASP 33 0.662 3.035 6.536
219 HB3 ASP 33 HB1 ASP 33 -0.993 2.770 7.071
220 H CYS 34 HN CYS 34 0.975 1.102 4.206
221 HA CYS 34 HA CYS 34 -1.424 1.716 2.821
222 HB2 CYS 34 HB2 CYS 34 1.345 0.942 1.963
223 HB3 CYS 34 HB1 CYS 34 0.051 1.131 0.781
224 H HIS 35 HN HIS 35 -0.416 -1.166 4.142
225 HA HIS 35 HA HIS 35 -1.991 -2.719 2.195
226 HB2 HIS 35 HB2 HIS 35 0.077 -3.681 4.184
227 HB3 HIS 35 HB1 HIS 35 -0.885 -4.727 3.145
228 HD1 HIS 35 HD1 HIS 35 -0.195 -4.843 0.620
229 HD2 HIS 35 HD2 HIS 35 2.113 -2.279 2.933
230 HE1 HIS 35 HE1 HIS 35 1.846 -4.273 -0.765
231 H ILE 36 HN ILE 36 -2.244 -1.264 5.176
232 HA ILE 36 HA ILE 36 -4.442 -2.994 5.976
233 HB ILE 36 HB ILE 36 -3.608 -3.019 8.371
234 HG12 ILE 36 HG12 ILE 36 -0.948 -2.495 7.040
235 HG13 ILE 36 HG11 ILE 36 -1.824 -1.326 8.021
236 HG21 ILE 36 HG21 ILE 36 -3.663 -5.024 7.002
237 HG22 ILE 36 HG22 ILE 36 -2.248 -5.020 8.055
238 HG23 ILE 36 HG23 ILE 36 -2.074 -4.632 6.342
239 HD11 ILE 36 HD11 ILE 36 -0.762 -3.975 8.970
240 HD12 ILE 36 HD12 ILE 36 -1.614 -2.786 9.955
241 HD13 ILE 36 HD13 ILE 36 -0.036 -2.397 9.272
242 HA PRO 37 HA PRO 37 -6.074 -3.069 7.119
243 HB2 PRO 37 HB2 PRO 37 -8.583 -1.654 6.891
244 HB3 PRO 37 HB1 PRO 37 -7.979 -2.600 8.256
245 HG2 PRO 37 HG2 PRO 37 -8.319 0.115 8.316
246 HG3 PRO 37 HG1 PRO 37 -7.148 -0.755 9.324
247 HD2 PRO 37 HD2 PRO 37 -6.703 0.751 6.768
248 HD3 PRO 37 HD1 PRO 37 -5.708 0.712 8.241
249 HA PRO 38 HA PRO 38 -6.534 -3.054 2.672
250 HB2 PRO 38 HB2 PRO 38 -7.650 -5.742 2.919
251 HB3 PRO 38 HB1 PRO 38 -6.128 -5.231 2.185
252 HG2 PRO 38 HG2 PRO 38 -6.245 -6.643 4.502
253 HG3 PRO 38 HG1 PRO 38 -4.944 -5.498 4.127
254 HD2 PRO 38 HD2 PRO 38 -7.331 -5.141 5.900
255 HD3 PRO 38 HD1 PRO 38 -5.662 -4.573 6.120
256 H VAL 39 HN VAL 39 -8.194 -1.982 1.777
257 HA VAL 39 HA VAL 39 -10.885 -2.250 2.669
258 HB VAL 39 HB VAL 39 -11.472 -0.850 0.704
259 HG11 VAL 39 HG11 VAL 39 -9.135 0.132 2.336
260 HG12 VAL 39 HG12 VAL 39 -10.837 0.203 2.795
261 HG13 VAL 39 HG13 VAL 39 -10.251 1.154 1.429
262 HG21 VAL 39 HG21 VAL 39 -9.687 0.069 -0.696
263 HG22 VAL 39 HG22 VAL 39 -9.808 -1.681 -0.871
264 HG23 VAL 39 HG23 VAL 39 -8.518 -0.980 0.105
265 H GLU 40 HN GLU 40 -12.635 -3.255 1.624
266 HA GLU 40 HA GLU 40 -11.757 -5.431 -0.147
267 HB2 GLU 40 HB2 GLU 40 -12.544 -6.009 2.199
268 HB3 GLU 40 HB1 GLU 40 -14.147 -5.497 1.692
269 HG2 GLU 40 HG2 GLU 40 -13.876 -7.915 1.560
270 HG3 GLU 40 HG1 GLU 40 -14.179 -7.203 -0.026
271 H ALA 41 HN ALA 41 -13.227 -6.193 -1.722
272 HA ALA 41 HA ALA 41 -14.719 -6.048 -3.405
273 HB1 ALA 41 HB1 ALA 41 -16.405 -5.744 -1.654
274 HB2 ALA 41 HB2 ALA 41 -16.802 -4.852 -3.121
275 HB3 ALA 41 HB3 ALA 41 -16.151 -4.001 -1.721
276 H GLU 42 HN GLU 42 -14.680 -2.670 -2.273
277 HA GLU 42 HA GLU 42 -14.350 -1.808 -5.027
278 HB2 GLU 42 HB2 GLU 42 -14.772 -0.244 -2.475
279 HB3 GLU 42 HB1 GLU 42 -14.661 0.475 -4.076
280 HG2 GLU 42 HG2 GLU 42 -16.726 -1.547 -3.244
281 HG3 GLU 42 HG1 GLU 42 -16.979 0.197 -3.290
282 H ARG 43 HN ARG 43 -12.149 -3.045 -4.638
283 HA ARG 43 HA ARG 43 -10.138 -0.967 -4.053
284 HB2 ARG 43 HB2 ARG 43 -8.672 -2.530 -3.099
285 HB3 ARG 43 HB1 ARG 43 -10.236 -2.952 -2.429
286 HG2 ARG 43 HG2 ARG 43 -8.938 -4.362 -4.753
287 HG3 ARG 43 HG1 ARG 43 -8.858 -4.900 -3.078
288 HD2 ARG 43 HD2 ARG 43 -11.302 -5.110 -3.041
289 HD3 ARG 43 HD1 ARG 43 -11.365 -4.596 -4.726
290 HE ARG 43 HE ARG 43 -9.660 -6.859 -4.317
291 HH11 ARG 43 HH11 ARG 43 -12.974 -5.855 -4.875
292 HH12 ARG 43 HH12 ARG 43 -13.472 -7.406 -5.468
293 HH21 ARG 43 HH21 ARG 43 -10.314 -8.888 -5.111
294 HH22 ARG 43 HH22 ARG 43 -11.963 -9.133 -5.593
295 H THR 44 HN THR 44 -11.602 -2.020 -6.518
296 HA THR 44 HA THR 44 -9.263 -2.836 -8.104
297 HB THR 44 HB THR 44 -10.989 -3.708 -9.742
298 HG1 THR 44 HG1 THR 44 -12.668 -2.376 -8.425
299 HG21 THR 44 HG21 THR 44 -11.543 -5.733 -8.403
300 HG22 THR 44 HG22 THR 44 -10.930 -4.910 -6.969
301 HG23 THR 44 HG23 THR 44 -9.842 -5.280 -8.306
302 HA PRO 45 HA PRO 45 -8.358 -2.778 -9.840
303 HB2 PRO 45 HB2 PRO 45 -6.707 -0.899 -11.248
304 HB3 PRO 45 HB1 PRO 45 -7.599 -2.273 -11.913
305 HG2 PRO 45 HG2 PRO 45 -8.177 0.369 -12.452
306 HG3 PRO 45 HG1 PRO 45 -9.341 -0.968 -12.587
307 HD2 PRO 45 HD2 PRO 45 -8.983 1.018 -10.364
308 HD3 PRO 45 HD1 PRO 45 -10.482 0.367 -11.066
309 H TRP 46 HN TRP 46 -7.900 0.570 -8.892
310 HA TRP 46 HA TRP 46 -5.991 -0.164 -6.856
311 HB2 TRP 46 HB2 TRP 46 -4.437 0.025 -8.687
312 HB3 TRP 46 HB1 TRP 46 -5.201 1.502 -9.262
313 HD1 TRP 46 HD1 TRP 46 -2.748 0.236 -6.609
314 HE1 TRP 46 HE1 TRP 46 -1.503 2.261 -5.610
315 HE3 TRP 46 HE3 TRP 46 -5.430 4.006 -8.799
316 HZ2 TRP 46 HZ2 TRP 46 -1.655 5.079 -5.732
317 HZ3 TRP 46 HZ3 TRP 46 -4.814 6.335 -8.307
318 HH2 TRP 46 HH2 TRP 46 -2.965 6.859 -6.804
319 H ASN 47 HN ASN 47 -6.119 1.229 -5.161
320 HA ASN 47 HA ASN 47 -6.878 3.985 -5.604
321 HB2 ASN 47 HB2 ASN 47 -8.678 3.986 -3.945
322 HB3 ASN 47 HB1 ASN 47 -9.062 2.860 -5.240
323 HD21 ASN 47 HD21 ASN 47 -9.988 3.040 -2.450
324 HD22 ASN 47 HD22 ASN 47 -9.666 1.491 -1.754
325 H CYS 48 HN CYS 48 -5.968 5.348 -4.106
326 HA CYS 48 HA CYS 48 -4.128 4.102 -2.214
327 HB2 CYS 48 HB2 CYS 48 -3.266 5.874 -3.672
328 HB3 CYS 48 HB1 CYS 48 -4.466 6.993 -3.048
329 H ILE 49 HN ILE 49 -4.956 3.612 -0.296
330 HA ILE 49 HA ILE 49 -7.411 4.568 0.651
331 HB ILE 49 HB ILE 49 -6.773 3.574 2.857
332 HG12 ILE 49 HG12 ILE 49 -4.223 2.825 1.404
333 HG13 ILE 49 HG11 ILE 49 -4.346 3.968 2.736
334 HG21 ILE 49 HG21 ILE 49 -6.481 1.896 0.374
335 HG22 ILE 49 HG22 ILE 49 -7.956 2.236 1.277
336 HG23 ILE 49 HG23 ILE 49 -6.693 1.238 1.995
337 HD11 ILE 49 HD11 ILE 49 -4.921 1.018 2.851
338 HD12 ILE 49 HD12 ILE 49 -5.123 2.148 4.190
339 HD13 ILE 49 HD13 ILE 49 -3.519 1.848 3.525
340 H PHE 50 HN PHE 50 -4.176 5.799 1.138
341 HA PHE 50 HA PHE 50 -4.955 7.580 3.239
342 HB2 PHE 50 HB2 PHE 50 -2.489 7.312 1.551
343 HB3 PHE 50 HB1 PHE 50 -2.714 8.717 2.592
344 HD1 PHE 50 HD2 PHE 50 -2.182 5.098 2.487
345 HD2 PHE 50 HD1 PHE 50 -2.629 8.506 5.005
346 HE1 PHE 50 HE2 PHE 50 -1.327 3.802 4.388
347 HE2 PHE 50 HE1 PHE 50 -1.768 7.210 6.908
348 HZ PHE 50 HZ PHE 50 -1.170 4.893 6.645
349 H CYS 51 HN CYS 51 -4.231 8.104 -0.238
350 HA CYS 51 HA CYS 51 -4.839 10.863 -0.130
351 HB2 CYS 51 HB2 CYS 51 -4.626 8.937 -2.437
352 HB3 CYS 51 HB1 CYS 51 -5.050 10.628 -2.675
353 H ARG 52 HN ARG 52 -6.874 8.050 -0.589
354 HA ARG 52 HA ARG 52 -9.108 9.607 -1.566
355 HB2 ARG 52 HB2 ARG 52 -8.924 6.719 -0.694
356 HB3 ARG 52 HB1 ARG 52 -10.353 7.455 -1.399
357 HG2 ARG 52 HG2 ARG 52 -7.727 7.455 -2.840
358 HG3 ARG 52 HG1 ARG 52 -8.824 6.077 -2.916
359 HD2 ARG 52 HD2 ARG 52 -9.620 8.898 -3.629
360 HD3 ARG 52 HD1 ARG 52 -9.046 7.715 -4.802
361 HE ARG 52 HE ARG 52 -11.224 6.706 -3.260
362 HH11 ARG 52 HH11 ARG 52 -10.445 8.788 -5.965
363 HH12 ARG 52 HH12 ARG 52 -11.978 8.560 -6.742
364 HH21 ARG 52 HH21 ARG 52 -13.239 6.407 -4.290
365 HH22 ARG 52 HH22 ARG 52 -13.566 7.215 -5.791
366 H MET 53 HN MET 53 -7.777 9.099 1.440
367 HA MET 53 HA MET 53 -10.371 9.436 2.803
368 HB2 MET 53 HB2 MET 53 -9.266 7.369 3.455
369 HB3 MET 53 HB1 MET 53 -7.787 8.240 3.827
370 HG2 MET 53 HG2 MET 53 -9.012 9.444 5.615
371 HG3 MET 53 HG1 MET 53 -10.410 8.420 5.286
372 HE1 MET 53 HE1 MET 53 -8.995 7.076 8.712
373 HE2 MET 53 HE2 MET 53 -10.396 7.762 7.892
374 HE3 MET 53 HE3 MET 53 -8.957 8.747 8.152
375 H LYS 54 HN LYS 54 -6.946 10.314 3.006
376 HA LYS 54 HA LYS 54 -7.294 12.301 4.997
377 HB2 LYS 54 HB2 LYS 54 -5.156 11.099 4.518
378 HB3 LYS 54 HB1 LYS 54 -5.023 12.009 3.022
379 HG2 LYS 54 HG2 LYS 54 -4.895 14.091 4.298
380 HG3 LYS 54 HG1 LYS 54 -5.032 13.173 5.800
381 HD2 LYS 54 HD2 LYS 54 -2.966 11.957 5.213
382 HD3 LYS 54 HD1 LYS 54 -2.818 12.947 3.761
383 HE2 LYS 54 HE2 LYS 54 -1.377 13.818 5.499
384 HE3 LYS 54 HE1 LYS 54 -2.680 14.960 5.177
385 HZ1 LYS 54 HZ1 LYS 54 -2.331 14.725 7.534
386 HZ2 LYS 54 HZ2 LYS 54 -2.548 13.050 7.447
387 HZ3 LYS 54 HZ3 LYS 54 -3.844 14.089 7.129
388 H GLU 55 HN GLU 55 -6.206 12.781 1.648
389 HA GLU 55 HA GLU 55 -6.383 14.515 0.213
390 HB2 GLU 55 HB2 GLU 55 -8.755 13.780 0.234
391 HB3 GLU 55 HB1 GLU 55 -9.069 14.932 1.524
392 HG2 GLU 55 HG2 GLU 55 -9.785 15.785 -0.641
393 HG3 GLU 55 HG1 GLU 55 -8.508 16.776 0.058
394 H SER 56 HN SER 56 -4.671 15.569 1.309
395 HA SER 56 HA SER 56 -5.496 18.101 2.514
396 HB2 SER 56 HB2 SER 56 -4.938 16.411 4.328
397 HB3 SER 56 HB1 SER 56 -3.290 16.401 3.704
398 HG SER 56 HG SER 56 -3.057 18.522 4.280
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 24.341 0.612 -4.526
2 H2 GLY 1 HT2 GLY 1 24.784 1.545 -5.866
3 H3 GLY 1 HT3 GLY 1 25.236 -0.081 -5.783
4 HA2 GLY 1 HA1 GLY 1 23.392 0.202 -7.305
5 HA3 GLY 1 HA2 GLY 1 22.938 -0.774 -5.915
6 H ALA 2 HN ALA 2 20.769 -0.303 -6.079
7 HA ALA 2 HA ALA 2 18.846 0.772 -5.553
8 HB1 ALA 2 HB1 ALA 2 19.961 1.262 -3.433
9 HB2 ALA 2 HB2 ALA 2 18.901 2.585 -3.920
10 HB3 ALA 2 HB3 ALA 2 20.645 2.730 -4.129
11 H MET 3 HN MET 3 19.438 1.166 -8.061
12 HA MET 3 HA MET 3 19.492 3.978 -8.738
13 HB2 MET 3 HB2 MET 3 20.478 2.228 -10.217
14 HB3 MET 3 HB1 MET 3 18.865 1.586 -10.487
15 HG2 MET 3 HG2 MET 3 18.200 3.732 -11.482
16 HG3 MET 3 HG1 MET 3 19.846 4.323 -11.263
17 HE1 MET 3 HE1 MET 3 18.412 4.422 -14.060
18 HE2 MET 3 HE2 MET 3 19.677 3.820 -15.131
19 HE3 MET 3 HE3 MET 3 20.085 4.931 -13.824
20 H GLY 4 HN GLY 4 17.156 1.328 -8.837
21 HA2 GLY 4 HA2 GLY 4 14.991 3.087 -8.153
22 HA3 GLY 4 HA1 GLY 4 14.919 2.541 -9.825
23 H MET 5 HN MET 5 16.048 0.790 -6.974
24 HA MET 5 HA MET 5 14.077 -1.295 -7.609
25 HB2 MET 5 HB2 MET 5 15.589 -2.878 -6.511
26 HB3 MET 5 HB1 MET 5 16.402 -2.031 -7.819
27 HG2 MET 5 HG2 MET 5 17.458 -0.543 -6.191
28 HG3 MET 5 HG1 MET 5 16.665 -1.415 -4.883
29 HE1 MET 5 HE1 MET 5 18.352 -4.943 -5.113
30 HE2 MET 5 HE2 MET 5 16.854 -4.441 -5.895
31 HE3 MET 5 HE3 MET 5 17.200 -3.933 -4.242
32 H ARG 6 HN ARG 6 12.820 -2.190 -6.009
33 HA ARG 6 HA ARG 6 13.011 -0.943 -3.351
34 HB2 ARG 6 HB2 ARG 6 10.552 -1.113 -3.173
35 HB3 ARG 6 HB1 ARG 6 11.052 -0.057 -4.485
36 HG2 ARG 6 HG2 ARG 6 10.598 -1.810 -6.099
37 HG3 ARG 6 HG1 ARG 6 10.153 -2.913 -4.798
38 HD2 ARG 6 HD2 ARG 6 8.157 -2.013 -5.809
39 HD3 ARG 6 HD1 ARG 6 8.322 -1.385 -4.171
40 HE ARG 6 HE ARG 6 9.483 0.534 -5.704
41 HH11 ARG 6 HH11 ARG 6 6.378 -1.085 -5.819
42 HH12 ARG 6 HH12 ARG 6 5.541 0.289 -6.466
43 HH21 ARG 6 HH21 ARG 6 8.384 2.346 -6.573
44 HH22 ARG 6 HH22 ARG 6 6.682 2.240 -6.903
45 H ASN 7 HN ASN 7 13.156 -2.321 -1.676
46 HA ASN 7 HA ASN 7 12.894 -5.182 -2.279
47 HB2 ASN 7 HB2 ASN 7 14.468 -3.710 -0.169
48 HB3 ASN 7 HB1 ASN 7 14.202 -5.445 -0.102
49 HD21 ASN 7 HD21 ASN 7 14.361 -5.844 -2.961
50 HD22 ASN 7 HD22 ASN 7 16.027 -5.669 -3.385
51 H LEU 8 HN LEU 8 10.809 -5.665 -1.921
52 HA LEU 8 HA LEU 8 9.582 -4.825 0.597
53 HB2 LEU 8 HB2 LEU 8 8.291 -6.314 -1.683
54 HB3 LEU 8 HB1 LEU 8 7.486 -5.487 -0.364
55 HG LEU 8 HG LEU 8 9.050 -4.174 -2.588
56 HD11 LEU 8 HD11 LEU 8 6.880 -3.284 -3.267
57 HD12 LEU 8 HD12 LEU 8 6.097 -4.219 -1.993
58 HD13 LEU 8 HD13 LEU 8 6.908 -5.045 -3.323
59 HD21 LEU 8 HD21 LEU 8 8.279 -2.064 -1.640
60 HD22 LEU 8 HD22 LEU 8 9.281 -2.948 -0.492
61 HD23 LEU 8 HD23 LEU 8 7.529 -2.930 -0.300
62 H ASP 9 HN ASP 9 11.263 -6.335 1.541
63 HA ASP 9 HA ASP 9 10.587 -9.169 1.238
64 HB2 ASP 9 HB2 ASP 9 12.956 -8.456 0.926
65 HB3 ASP 9 HB1 ASP 9 12.984 -7.950 2.611
66 H GLU 10 HN GLU 10 10.611 -6.572 3.561
67 HA GLU 10 HA GLU 10 9.969 -8.367 5.750
68 HB2 GLU 10 HB2 GLU 10 10.159 -5.358 5.643
69 HB3 GLU 10 HB1 GLU 10 9.787 -6.274 7.095
70 HG2 GLU 10 HG2 GLU 10 11.977 -7.455 6.784
71 HG3 GLU 10 HG1 GLU 10 12.338 -6.283 5.517
72 H CYS 11 HN CYS 11 8.290 -7.345 3.238
73 HA CYS 11 HA CYS 11 5.815 -6.869 4.743
74 HB2 CYS 11 HB2 CYS 11 6.402 -5.176 3.018
75 HB3 CYS 11 HB1 CYS 11 6.308 -6.435 1.795
76 H GLU 12 HN GLU 12 5.138 -8.859 5.261
77 HA GLU 12 HA GLU 12 5.425 -11.193 3.764
78 HB2 GLU 12 HB2 GLU 12 4.831 -11.091 6.171
79 HB3 GLU 12 HB1 GLU 12 3.234 -10.510 5.727
80 HG2 GLU 12 HG2 GLU 12 2.874 -12.617 4.477
81 HG3 GLU 12 HG1 GLU 12 4.422 -13.197 5.093
82 H VAL 13 HN VAL 13 3.081 -8.634 3.602
83 HA VAL 13 HA VAL 13 1.094 -10.076 2.179
84 HB VAL 13 HB VAL 13 1.524 -7.096 2.384
85 HG11 VAL 13 HG11 VAL 13 -0.875 -6.956 1.809
86 HG12 VAL 13 HG12 VAL 13 -0.878 -8.693 1.508
87 HG13 VAL 13 HG13 VAL 13 0.104 -7.626 0.504
88 HG21 VAL 13 HG21 VAL 13 -0.225 -7.222 4.122
89 HG22 VAL 13 HG22 VAL 13 1.247 -8.087 4.561
90 HG23 VAL 13 HG23 VAL 13 -0.171 -8.980 4.010
91 H CYS 14 HN CYS 14 3.497 -7.634 1.139
92 HA CYS 14 HA CYS 14 2.881 -7.940 -1.618
93 HB2 CYS 14 HB2 CYS 14 5.245 -6.763 -0.183
94 HB3 CYS 14 HB1 CYS 14 5.177 -6.854 -1.940
95 H ARG 15 HN ARG 15 4.974 -9.584 0.585
96 HA ARG 15 HA ARG 15 6.541 -11.045 -1.236
97 HB2 ARG 15 HB2 ARG 15 7.057 -10.957 1.136
98 HB3 ARG 15 HB1 ARG 15 5.537 -11.744 1.526
99 HG2 ARG 15 HG2 ARG 15 6.345 -13.746 0.277
100 HG3 ARG 15 HG1 ARG 15 7.915 -12.950 0.139
101 HD2 ARG 15 HD2 ARG 15 8.070 -12.815 2.567
102 HD3 ARG 15 HD1 ARG 15 6.488 -13.573 2.720
103 HE ARG 15 HE ARG 15 8.921 -14.909 1.712
104 HH11 ARG 15 HH11 ARG 15 5.700 -15.052 3.086
105 HH12 ARG 15 HH12 ARG 15 5.809 -16.738 3.474
106 HH21 ARG 15 HH21 ARG 15 9.045 -17.132 2.200
107 HH22 ARG 15 HH22 ARG 15 7.704 -17.924 2.968
108 H ASP 16 HN ASP 16 3.377 -11.659 0.197
109 HA ASP 16 HA ASP 16 2.915 -14.069 -1.259
110 HB2 ASP 16 HB2 ASP 16 1.801 -13.605 0.873
111 HB3 ASP 16 HB1 ASP 16 0.986 -12.218 0.162
112 H GLY 17 HN GLY 17 2.839 -10.817 -2.140
113 HA2 GLY 17 HA2 GLY 17 2.384 -9.977 -4.286
114 HA3 GLY 17 HA1 GLY 17 1.489 -11.449 -4.647
115 H GLY 18 HN GLY 18 0.850 -9.942 -1.661
116 HA2 GLY 18 HA2 GLY 18 -1.884 -9.593 -2.150
117 HA3 GLY 18 HA1 GLY 18 -0.997 -8.931 -0.793
118 H GLU 19 HN GLU 19 -2.965 -7.442 -1.550
119 HA GLU 19 HA GLU 19 -2.418 -5.730 -3.778
120 HB2 GLU 19 HB2 GLU 19 -4.491 -5.648 -1.597
121 HB3 GLU 19 HB1 GLU 19 -4.425 -4.481 -2.912
122 HG2 GLU 19 HG2 GLU 19 -4.841 -7.452 -3.168
123 HG3 GLU 19 HG1 GLU 19 -6.054 -6.191 -3.399
124 H LEU 20 HN LEU 20 -1.985 -3.558 -3.773
125 HA LEU 20 HA LEU 20 -0.962 -2.388 -1.271
126 HB2 LEU 20 HB2 LEU 20 0.698 -3.158 -3.161
127 HB3 LEU 20 HB1 LEU 20 0.161 -1.700 -3.969
128 HG LEU 20 HG LEU 20 1.388 -1.706 -1.208
129 HD11 LEU 20 HD11 LEU 20 2.702 -1.224 -3.882
130 HD12 LEU 20 HD12 LEU 20 2.992 -2.595 -2.811
131 HD13 LEU 20 HD13 LEU 20 3.451 -0.968 -2.305
132 HD21 LEU 20 HD21 LEU 20 1.001 0.515 -3.219
133 HD22 LEU 20 HD22 LEU 20 1.736 0.662 -1.623
134 HD23 LEU 20 HD23 LEU 20 0.023 0.267 -1.772
135 H PHE 21 HN PHE 21 -2.046 -0.548 -0.760
136 HA PHE 21 HA PHE 21 -3.829 0.542 -2.840
137 HB2 PHE 21 HB2 PHE 21 -4.174 0.774 0.158
138 HB3 PHE 21 HB1 PHE 21 -5.368 1.134 -1.086
139 HD1 PHE 21 HD2 PHE 21 -6.039 -0.865 -2.615
140 HD2 PHE 21 HD1 PHE 21 -4.221 -1.285 1.216
141 HE1 PHE 21 HE2 PHE 21 -6.909 -3.159 -2.456
142 HE2 PHE 21 HE1 PHE 21 -5.092 -3.579 1.373
143 HZ PHE 21 HZ PHE 21 -6.417 -4.519 -0.428
144 H CYS 22 HN CYS 22 -1.336 1.548 -2.977
145 HA CYS 22 HA CYS 22 -1.649 4.284 -2.016
146 HB2 CYS 22 HB2 CYS 22 0.715 2.518 -1.344
147 HB3 CYS 22 HB1 CYS 22 0.711 4.266 -1.139
148 H CYS 23 HN CYS 23 -0.565 5.807 -3.276
149 HA CYS 23 HA CYS 23 0.349 5.137 -5.868
150 HB2 CYS 23 HB2 CYS 23 1.145 7.645 -4.373
151 HB3 CYS 23 HB1 CYS 23 0.915 7.444 -6.110
152 H ASP 24 HN ASP 24 2.710 5.814 -6.567
153 HA ASP 24 HA ASP 24 4.471 4.002 -5.367
154 HB2 ASP 24 HB2 ASP 24 5.111 6.419 -7.071
155 HB3 ASP 24 HB1 ASP 24 6.275 5.173 -6.639
156 H THR 25 HN THR 25 4.378 7.534 -5.044
157 HA THR 25 HA THR 25 6.444 7.707 -3.136
158 HB THR 25 HB THR 25 4.144 9.628 -3.519
159 HG1 THR 25 HG1 THR 25 5.453 10.588 -5.078
160 HG21 THR 25 HG21 THR 25 6.931 10.029 -2.419
161 HG22 THR 25 HG22 THR 25 5.434 10.058 -1.488
162 HG23 THR 25 HG23 THR 25 5.745 11.307 -2.692
163 H CYS 26 HN CYS 26 2.919 7.537 -2.777
164 HA CYS 26 HA CYS 26 2.815 7.788 0.014
165 HB2 CYS 26 HB2 CYS 26 0.924 6.291 -1.812
166 HB3 CYS 26 HB1 CYS 26 0.560 6.836 -0.179
167 H SER 27 HN SER 27 3.308 5.015 -2.068
168 HA SER 27 HA SER 27 3.127 3.007 -0.077
169 HB2 SER 27 HB2 SER 27 2.955 2.486 -2.470
170 HB3 SER 27 HB1 SER 27 4.619 3.009 -2.718
171 HG SER 27 HG SER 27 5.326 1.186 -1.899
172 H ARG 28 HN ARG 28 5.717 5.091 -1.171
173 HA ARG 28 HA ARG 28 7.791 3.585 0.079
174 HB2 ARG 28 HB2 ARG 28 7.691 6.362 -1.074
175 HB3 ARG 28 HB1 ARG 28 9.153 5.659 -0.394
176 HG2 ARG 28 HG2 ARG 28 9.192 3.946 -2.051
177 HG3 ARG 28 HG1 ARG 28 7.594 4.404 -2.641
178 HD2 ARG 28 HD2 ARG 28 9.256 5.251 -4.154
179 HD3 ARG 28 HD1 ARG 28 8.522 6.604 -3.294
180 HE ARG 28 HE ARG 28 10.895 5.682 -2.007
181 HH11 ARG 28 HH11 ARG 28 9.730 7.618 -4.684
182 HH12 ARG 28 HH12 ARG 28 11.144 8.625 -4.732
183 HH21 ARG 28 HH21 ARG 28 12.752 7.011 -2.065
184 HH22 ARG 28 HH22 ARG 28 12.861 8.281 -3.247
185 H VAL 29 HN VAL 29 5.755 6.270 1.029
186 HA VAL 29 HA VAL 29 7.343 6.758 3.396
187 HB VAL 29 HB VAL 29 5.706 8.553 3.882
188 HG11 VAL 29 HG11 VAL 29 6.891 8.570 1.108
189 HG12 VAL 29 HG12 VAL 29 7.724 9.009 2.601
190 HG13 VAL 29 HG13 VAL 29 6.381 9.993 2.019
191 HG21 VAL 29 HG21 VAL 29 4.500 7.753 1.236
192 HG22 VAL 29 HG22 VAL 29 4.063 9.169 2.192
193 HG23 VAL 29 HG23 VAL 29 3.744 7.550 2.814
194 H PHE 30 HN PHE 30 4.310 5.170 2.598
195 HA PHE 30 HA PHE 30 4.186 4.225 5.378
196 HB2 PHE 30 HB2 PHE 30 1.812 5.316 3.846
197 HB3 PHE 30 HB1 PHE 30 1.711 4.468 5.383
198 HD1 PHE 30 HD2 PHE 30 3.079 5.517 7.348
199 HD2 PHE 30 HD1 PHE 30 1.948 7.619 3.821
200 HE1 PHE 30 HE2 PHE 30 3.360 7.653 8.533
201 HE2 PHE 30 HE1 PHE 30 2.233 9.757 5.003
202 HZ PHE 30 HZ PHE 30 2.896 9.765 7.381
203 H HIS 31 HN HIS 31 5.261 2.528 3.822
204 HA HIS 31 HA HIS 31 3.579 1.105 2.043
205 HB2 HIS 31 HB2 HIS 31 6.058 1.093 1.908
206 HB3 HIS 31 HB1 HIS 31 6.106 0.132 3.381
207 HD1 HIS 31 HD1 HIS 31 4.707 -0.168 -0.172
208 HD2 HIS 31 HD2 HIS 31 6.059 -2.521 2.982
209 HE1 HIS 31 HE1 HIS 31 4.764 -2.555 -1.028
210 H GLU 32 HN GLU 32 4.616 0.390 5.380
211 HA GLU 32 HA GLU 32 3.407 -2.194 5.365
212 HB2 GLU 32 HB2 GLU 32 5.299 -1.591 6.845
213 HB3 GLU 32 HB1 GLU 32 4.237 -0.501 7.724
214 HG2 GLU 32 HG2 GLU 32 2.813 -2.428 8.317
215 HG3 GLU 32 HG1 GLU 32 3.972 -3.489 7.519
216 H ASP 33 HN ASP 33 2.522 0.948 6.645
217 HA ASP 33 HA ASP 33 0.085 0.213 7.850
218 HB2 ASP 33 HB2 ASP 33 1.031 2.869 6.754
219 HB3 ASP 33 HB1 ASP 33 -0.451 2.666 7.680
220 H CYS 34 HN CYS 34 0.997 0.717 4.588
221 HA CYS 34 HA CYS 34 -1.510 1.413 3.483
222 HB2 CYS 34 HB2 CYS 34 0.799 1.611 2.405
223 HB3 CYS 34 HB1 CYS 34 0.670 -0.112 2.062
224 H HIS 35 HN HIS 35 -0.109 -1.625 4.458
225 HA HIS 35 HA HIS 35 -2.236 -3.107 3.075
226 HB2 HIS 35 HB2 HIS 35 0.122 -4.272 4.566
227 HB3 HIS 35 HB1 HIS 35 -0.941 -5.095 3.433
228 HD1 HIS 35 HD1 HIS 35 -0.491 -4.636 0.849
229 HD2 HIS 35 HD2 HIS 35 2.146 -2.789 3.478
230 HE1 HIS 35 HE1 HIS 35 1.486 -3.868 -0.534
231 H ILE 36 HN ILE 36 -2.020 -1.529 5.842
232 HA ILE 36 HA ILE 36 -3.479 -3.553 7.383
233 HB ILE 36 HB ILE 36 -1.268 -1.827 8.500
234 HG12 ILE 36 HG12 ILE 36 -1.386 -4.830 8.133
235 HG13 ILE 36 HG11 ILE 36 -0.455 -3.725 7.128
236 HG21 ILE 36 HG21 ILE 36 -1.634 -3.070 10.582
237 HG22 ILE 36 HG22 ILE 36 -2.999 -3.901 9.837
238 HG23 ILE 36 HG23 ILE 36 -3.066 -2.159 10.101
239 HD11 ILE 36 HD11 ILE 36 -0.044 -4.197 10.073
240 HD12 ILE 36 HD12 ILE 36 0.895 -3.101 9.059
241 HD13 ILE 36 HD13 ILE 36 0.952 -4.840 8.767
242 HA PRO 37 HA PRO 37 -5.189 -3.826 7.693
243 HB2 PRO 37 HB2 PRO 37 -7.820 -3.589 7.908
244 HB3 PRO 37 HB1 PRO 37 -6.791 -3.392 9.335
245 HG2 PRO 37 HG2 PRO 37 -8.138 -1.312 7.658
246 HG3 PRO 37 HG1 PRO 37 -7.915 -1.365 9.417
247 HD2 PRO 37 HD2 PRO 37 -6.320 0.053 7.599
248 HD3 PRO 37 HD1 PRO 37 -5.895 -0.325 9.279
249 HA PRO 38 HA PRO 38 -6.143 -3.493 3.358
250 HB2 PRO 38 HB2 PRO 38 -6.365 -6.086 2.746
251 HB3 PRO 38 HB1 PRO 38 -4.813 -5.381 3.221
252 HG2 PRO 38 HG2 PRO 38 -6.734 -7.007 4.838
253 HG3 PRO 38 HG1 PRO 38 -4.964 -7.080 4.800
254 HD2 PRO 38 HD2 PRO 38 -6.443 -5.756 6.732
255 HD3 PRO 38 HD1 PRO 38 -4.751 -5.394 6.332
256 H VAL 39 HN VAL 39 -8.359 -4.318 5.684
257 HA VAL 39 HA VAL 39 -10.462 -5.295 3.998
258 HB VAL 39 HB VAL 39 -11.917 -5.078 5.939
259 HG11 VAL 39 HG11 VAL 39 -10.741 -6.611 7.438
260 HG12 VAL 39 HG12 VAL 39 -9.221 -6.234 6.630
261 HG13 VAL 39 HG13 VAL 39 -10.510 -7.051 5.747
262 HG21 VAL 39 HG21 VAL 39 -11.123 -3.005 6.876
263 HG22 VAL 39 HG22 VAL 39 -9.559 -3.727 7.236
264 HG23 VAL 39 HG23 VAL 39 -10.997 -4.274 8.094
265 H GLU 40 HN GLU 40 -12.413 -4.207 3.517
266 HA GLU 40 HA GLU 40 -13.547 -2.529 2.504
267 HB2 GLU 40 HB2 GLU 40 -13.475 -1.727 4.965
268 HB3 GLU 40 HB1 GLU 40 -12.263 -0.581 4.409
269 HG2 GLU 40 HG2 GLU 40 -14.403 0.494 4.432
270 HG3 GLU 40 HG1 GLU 40 -13.892 0.278 2.758
271 H ALA 41 HN ALA 41 -10.850 -3.228 1.662
272 HA ALA 41 HA ALA 41 -10.264 -0.817 0.113
273 HB1 ALA 41 HB1 ALA 41 -8.152 -2.386 1.590
274 HB2 ALA 41 HB2 ALA 41 -8.729 -0.773 2.015
275 HB3 ALA 41 HB3 ALA 41 -7.867 -1.031 0.497
276 H GLU 42 HN GLU 42 -10.102 -4.274 0.522
277 HA GLU 42 HA GLU 42 -8.921 -4.756 -2.074
278 HB2 GLU 42 HB2 GLU 42 -10.263 -6.655 -0.132
279 HB3 GLU 42 HB1 GLU 42 -9.393 -7.135 -1.579
280 HG2 GLU 42 HG2 GLU 42 -7.331 -6.250 -0.666
281 HG3 GLU 42 HG1 GLU 42 -8.185 -5.694 0.772
282 H ARG 43 HN ARG 43 -10.835 -3.164 -2.737
283 HA ARG 43 HA ARG 43 -13.211 -4.791 -3.360
284 HB2 ARG 43 HB2 ARG 43 -13.087 -1.782 -3.136
285 HB3 ARG 43 HB1 ARG 43 -14.527 -2.762 -3.362
286 HG2 ARG 43 HG2 ARG 43 -14.034 -3.831 -1.146
287 HG3 ARG 43 HG1 ARG 43 -12.777 -2.614 -0.922
288 HD2 ARG 43 HD2 ARG 43 -15.735 -2.150 -1.256
289 HD3 ARG 43 HD1 ARG 43 -14.770 -1.883 0.195
290 HE ARG 43 HE ARG 43 -13.879 -0.349 -2.064
291 HH11 ARG 43 HH11 ARG 43 -15.991 -0.432 0.728
292 HH12 ARG 43 HH12 ARG 43 -16.290 1.281 0.698
293 HH21 ARG 43 HH21 ARG 43 -14.262 1.909 -2.077
294 HH22 ARG 43 HH22 ARG 43 -15.302 2.604 -0.875
295 H THR 44 HN THR 44 -10.546 -4.022 -4.787
296 HA THR 44 HA THR 44 -9.754 -3.765 -6.865
297 HB THR 44 HB THR 44 -11.306 -4.445 -8.803
298 HG1 THR 44 HG1 THR 44 -13.159 -4.241 -7.002
299 HG21 THR 44 HG21 THR 44 -9.630 -5.940 -7.923
300 HG22 THR 44 HG22 THR 44 -11.119 -6.841 -8.205
301 HG23 THR 44 HG23 THR 44 -10.671 -6.366 -6.567
302 HA PRO 45 HA PRO 45 -9.253 -3.608 -8.806
303 HB2 PRO 45 HB2 PRO 45 -8.092 -2.175 -10.739
304 HB3 PRO 45 HB1 PRO 45 -9.691 -2.896 -10.973
305 HG2 PRO 45 HG2 PRO 45 -8.949 -0.064 -10.410
306 HG3 PRO 45 HG1 PRO 45 -10.254 -0.706 -11.427
307 HD2 PRO 45 HD2 PRO 45 -10.522 0.239 -8.789
308 HD3 PRO 45 HD1 PRO 45 -11.715 -0.729 -9.677
309 H TRP 46 HN TRP 46 -8.695 -0.208 -8.090
310 HA TRP 46 HA TRP 46 -6.480 -0.738 -6.384
311 HB2 TRP 46 HB2 TRP 46 -5.360 -0.927 -8.611
312 HB3 TRP 46 HB1 TRP 46 -5.898 0.703 -8.993
313 HD1 TRP 46 HD1 TRP 46 -3.419 -1.172 -6.747
314 HE1 TRP 46 HE1 TRP 46 -1.604 0.477 -5.973
315 HE3 TRP 46 HE3 TRP 46 -5.422 3.160 -8.589
316 HZ2 TRP 46 HZ2 TRP 46 -1.088 3.251 -6.126
317 HZ3 TRP 46 HZ3 TRP 46 -4.203 5.267 -8.231
318 HH2 TRP 46 HH2 TRP 46 -2.083 5.311 -7.027
319 H ASN 47 HN ASN 47 -5.956 1.120 -5.143
320 HA ASN 47 HA ASN 47 -7.034 3.699 -5.679
321 HB2 ASN 47 HB2 ASN 47 -9.142 2.593 -5.097
322 HB3 ASN 47 HB1 ASN 47 -8.429 1.969 -3.617
323 HD21 ASN 47 HD21 ASN 47 -9.809 2.918 -2.221
324 HD22 ASN 47 HD22 ASN 47 -9.923 4.631 -1.990
325 H CYS 48 HN CYS 48 -6.184 5.222 -4.225
326 HA CYS 48 HA CYS 48 -4.325 4.123 -2.229
327 HB2 CYS 48 HB2 CYS 48 -3.351 5.647 -3.922
328 HB3 CYS 48 HB1 CYS 48 -4.450 6.912 -3.395
329 H ILE 49 HN ILE 49 -5.402 3.853 -0.396
330 HA ILE 49 HA ILE 49 -7.712 5.229 0.368
331 HB ILE 49 HB ILE 49 -7.270 4.299 2.672
332 HG12 ILE 49 HG12 ILE 49 -4.860 3.097 1.283
333 HG13 ILE 49 HG11 ILE 49 -4.827 4.260 2.600
334 HG21 ILE 49 HG21 ILE 49 -8.651 3.093 1.127
335 HG22 ILE 49 HG22 ILE 49 -7.607 1.943 1.961
336 HG23 ILE 49 HG23 ILE 49 -7.240 2.429 0.307
337 HD11 ILE 49 HD11 ILE 49 -5.856 2.609 4.075
338 HD12 ILE 49 HD12 ILE 49 -4.338 2.025 3.392
339 HD13 ILE 49 HD13 ILE 49 -5.875 1.444 2.749
340 H PHE 50 HN PHE 50 -4.329 5.898 1.076
341 HA PHE 50 HA PHE 50 -4.905 7.808 3.112
342 HB2 PHE 50 HB2 PHE 50 -2.376 7.411 1.498
343 HB3 PHE 50 HB1 PHE 50 -2.518 8.460 2.904
344 HD1 PHE 50 HD1 PHE 50 -3.374 7.299 5.090
345 HD2 PHE 50 HD2 PHE 50 -1.666 5.233 1.781
346 HE1 PHE 50 HE1 PHE 50 -2.830 5.407 6.559
347 HE2 PHE 50 HE2 PHE 50 -1.123 3.337 3.245
348 HZ PHE 50 HZ PHE 50 -1.706 3.418 5.636
349 H CYS 51 HN CYS 51 -4.401 8.035 -0.374
350 HA CYS 51 HA CYS 51 -4.311 10.873 -0.427
351 HB2 CYS 51 HB2 CYS 51 -4.627 8.747 -2.489
352 HB3 CYS 51 HB1 CYS 51 -5.156 10.369 -2.914
353 H ARG 52 HN ARG 52 -6.927 8.584 -0.255
354 HA ARG 52 HA ARG 52 -8.909 10.568 -0.963
355 HB2 ARG 52 HB2 ARG 52 -9.320 7.856 0.300
356 HB3 ARG 52 HB1 ARG 52 -10.567 8.877 -0.399
357 HG2 ARG 52 HG2 ARG 52 -9.152 8.679 -2.566
358 HG3 ARG 52 HG1 ARG 52 -8.449 7.275 -1.758
359 HD2 ARG 52 HD2 ARG 52 -11.316 7.749 -2.521
360 HD3 ARG 52 HD1 ARG 52 -10.248 6.452 -3.048
361 HE ARG 52 HE ARG 52 -10.412 6.140 -0.337
362 HH11 ARG 52 HH11 ARG 52 -12.707 6.259 -2.969
363 HH12 ARG 52 HH12 ARG 52 -13.892 5.291 -2.155
364 HH21 ARG 52 HH21 ARG 52 -11.976 4.855 0.745
365 HH22 ARG 52 HH22 ARG 52 -13.481 4.502 -0.042
366 H MET 53 HN MET 53 -7.592 9.108 1.946
367 HA MET 53 HA MET 53 -9.370 10.402 3.758
368 HB2 MET 53 HB2 MET 53 -6.642 9.157 4.143
369 HB3 MET 53 HB1 MET 53 -7.576 9.840 5.463
370 HG2 MET 53 HG2 MET 53 -8.519 7.600 3.690
371 HG3 MET 53 HG1 MET 53 -7.759 7.384 5.266
372 HE1 MET 53 HE1 MET 53 -9.823 5.927 6.053
373 HE2 MET 53 HE2 MET 53 -10.608 6.150 4.490
374 HE3 MET 53 HE3 MET 53 -11.498 6.474 5.976
375 H LYS 54 HN LYS 54 -6.240 11.174 2.390
376 HA LYS 54 HA LYS 54 -6.402 13.843 3.625
377 HB2 LYS 54 HB2 LYS 54 -4.507 12.435 4.449
378 HB3 LYS 54 HB1 LYS 54 -3.900 12.360 2.800
379 HG2 LYS 54 HG2 LYS 54 -3.864 14.910 2.881
380 HG3 LYS 54 HG1 LYS 54 -4.058 14.732 4.624
381 HD2 LYS 54 HD2 LYS 54 -1.722 14.942 4.158
382 HD3 LYS 54 HD1 LYS 54 -2.032 13.267 4.621
383 HE2 LYS 54 HE2 LYS 54 -0.519 13.446 2.678
384 HE3 LYS 54 HE1 LYS 54 -2.006 12.582 2.297
385 HZ1 LYS 54 HZ1 LYS 54 -2.874 14.569 1.260
386 HZ2 LYS 54 HZ2 LYS 54 -1.384 14.171 0.566
387 HZ3 LYS 54 HZ3 LYS 54 -1.485 15.440 1.678
388 H GLU 55 HN GLU 55 -7.771 14.163 1.614
389 HA GLU 55 HA GLU 55 -6.374 14.223 -0.891
390 HB2 GLU 55 HB2 GLU 55 -8.450 15.372 -1.726
391 HB3 GLU 55 HB1 GLU 55 -8.703 13.777 -1.035
392 HG2 GLU 55 HG2 GLU 55 -9.536 14.749 1.005
393 HG3 GLU 55 HG1 GLU 55 -9.180 16.370 0.411
394 H SER 56 HN SER 56 -4.749 15.598 -1.023
395 HA SER 56 HA SER 56 -5.217 18.391 -0.227
396 HB2 SER 56 HB2 SER 56 -2.526 17.026 -0.453
397 HB3 SER 56 HB1 SER 56 -2.886 18.585 0.289
398 HG SER 56 HG SER 56 -4.224 17.349 1.806
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 12.004 3.652 -13.670
2 H2 GLY 1 HT2 GLY 1 10.917 2.401 -13.988
3 H3 GLY 1 HT3 GLY 1 12.139 2.762 -15.097
4 HA2 GLY 1 HA1 GLY 1 12.551 1.710 -12.357
5 HA3 GLY 1 HA2 GLY 1 12.679 0.773 -13.839
6 H ALA 2 HN ALA 2 14.824 0.569 -12.457
7 HA ALA 2 HA ALA 2 17.075 0.840 -12.401
8 HB1 ALA 2 HB1 ALA 2 18.180 1.577 -14.436
9 HB2 ALA 2 HB2 ALA 2 16.663 2.244 -15.040
10 HB3 ALA 2 HB3 ALA 2 16.835 0.503 -14.821
11 H MET 3 HN MET 3 15.668 2.701 -10.903
12 HA MET 3 HA MET 3 17.536 4.955 -10.983
13 HB2 MET 3 HB2 MET 3 15.519 5.722 -12.164
14 HB3 MET 3 HB1 MET 3 14.534 5.275 -10.779
15 HG2 MET 3 HG2 MET 3 15.723 6.931 -9.412
16 HG3 MET 3 HG1 MET 3 16.675 7.393 -10.822
17 HE1 MET 3 HE1 MET 3 14.551 7.306 -13.180
18 HE2 MET 3 HE2 MET 3 15.712 8.610 -12.935
19 HE3 MET 3 HE3 MET 3 14.004 8.984 -13.174
20 H GLY 4 HN GLY 4 14.709 3.721 -9.202
21 HA2 GLY 4 HA2 GLY 4 16.196 4.215 -6.704
22 HA3 GLY 4 HA1 GLY 4 14.444 4.141 -6.831
23 H MET 5 HN MET 5 16.556 2.594 -5.267
24 HA MET 5 HA MET 5 15.892 -0.107 -6.212
25 HB2 MET 5 HB2 MET 5 18.068 0.829 -4.328
26 HB3 MET 5 HB1 MET 5 17.763 -0.850 -4.753
27 HG2 MET 5 HG2 MET 5 18.335 -0.439 -7.041
28 HG3 MET 5 HG1 MET 5 18.463 1.292 -6.744
29 HE1 MET 5 HE1 MET 5 20.851 1.359 -7.887
30 HE2 MET 5 HE2 MET 5 20.716 -0.366 -8.225
31 HE3 MET 5 HE3 MET 5 22.172 0.272 -7.458
32 H ARG 6 HN ARG 6 13.741 0.568 -5.277
33 HA ARG 6 HA ARG 6 13.572 0.511 -2.383
34 HB2 ARG 6 HB2 ARG 6 11.498 0.839 -4.549
35 HB3 ARG 6 HB1 ARG 6 11.095 0.757 -2.841
36 HG2 ARG 6 HG2 ARG 6 12.995 2.788 -3.967
37 HG3 ARG 6 HG1 ARG 6 11.255 3.059 -3.843
38 HD2 ARG 6 HD2 ARG 6 11.344 2.766 -1.448
39 HD3 ARG 6 HD1 ARG 6 13.054 2.356 -1.527
40 HE ARG 6 HE ARG 6 13.048 4.787 -2.624
41 HH11 ARG 6 HH11 ARG 6 11.503 3.598 0.292
42 HH12 ARG 6 HH12 ARG 6 11.639 5.113 1.129
43 HH21 ARG 6 HH21 ARG 6 13.218 6.774 -1.524
44 HH22 ARG 6 HH22 ARG 6 12.600 6.924 0.090
45 H ASN 7 HN ASN 7 14.084 -1.514 -1.721
46 HA ASN 7 HA ASN 7 12.464 -3.726 -2.764
47 HB2 ASN 7 HB2 ASN 7 14.927 -4.060 -2.688
48 HB3 ASN 7 HB1 ASN 7 14.876 -3.841 -0.941
49 HD21 ASN 7 HD21 ASN 7 13.907 -5.913 -3.593
50 HD22 ASN 7 HD22 ASN 7 13.640 -7.333 -2.639
51 H LEU 8 HN LEU 8 10.680 -4.150 -1.713
52 HA LEU 8 HA LEU 8 10.373 -3.235 1.034
53 HB2 LEU 8 HB2 LEU 8 8.357 -4.366 -0.908
54 HB3 LEU 8 HB1 LEU 8 7.980 -3.809 0.706
55 HG LEU 8 HG LEU 8 7.307 -2.068 -0.715
56 HD11 LEU 8 HD11 LEU 8 8.575 -1.289 1.211
57 HD12 LEU 8 HD12 LEU 8 8.750 -0.203 -0.167
58 HD13 LEU 8 HD13 LEU 8 10.053 -1.314 0.251
59 HD21 LEU 8 HD21 LEU 8 8.384 -2.786 -2.759
60 HD22 LEU 8 HD22 LEU 8 9.955 -2.291 -2.129
61 HD23 LEU 8 HD23 LEU 8 8.715 -1.080 -2.455
62 H ASP 9 HN ASP 9 11.813 -4.778 1.866
63 HA ASP 9 HA ASP 9 11.361 -7.597 1.500
64 HB2 ASP 9 HB2 ASP 9 13.293 -7.885 2.965
65 HB3 ASP 9 HB1 ASP 9 13.640 -6.658 1.752
66 H GLU 10 HN GLU 10 10.894 -5.232 4.029
67 HA GLU 10 HA GLU 10 10.252 -7.009 6.098
68 HB2 GLU 10 HB2 GLU 10 9.367 -5.014 7.255
69 HB3 GLU 10 HB1 GLU 10 10.961 -4.754 6.564
70 HG2 GLU 10 HG2 GLU 10 9.903 -3.609 4.648
71 HG3 GLU 10 HG1 GLU 10 8.339 -3.798 5.441
72 H CYS 11 HN CYS 11 8.326 -5.750 3.519
73 HA CYS 11 HA CYS 11 5.805 -6.230 4.777
74 HB2 CYS 11 HB2 CYS 11 6.243 -4.532 2.993
75 HB3 CYS 11 HB1 CYS 11 6.405 -5.851 1.848
76 H GLU 12 HN GLU 12 5.510 -8.284 5.365
77 HA GLU 12 HA GLU 12 6.334 -10.570 3.938
78 HB2 GLU 12 HB2 GLU 12 5.856 -10.563 6.346
79 HB3 GLU 12 HB1 GLU 12 4.162 -10.245 6.011
80 HG2 GLU 12 HG2 GLU 12 4.031 -12.411 4.829
81 HG3 GLU 12 HG1 GLU 12 5.697 -12.734 5.310
82 H VAL 13 HN VAL 13 3.365 -8.722 3.982
83 HA VAL 13 HA VAL 13 1.763 -10.646 2.684
84 HB VAL 13 HB VAL 13 0.816 -8.864 4.063
85 HG11 VAL 13 HG11 VAL 13 1.517 -7.001 1.810
86 HG12 VAL 13 HG12 VAL 13 2.332 -7.064 3.371
87 HG13 VAL 13 HG13 VAL 13 0.636 -6.599 3.283
88 HG21 VAL 13 HG21 VAL 13 -1.055 -8.250 2.587
89 HG22 VAL 13 HG22 VAL 13 -0.633 -9.959 2.476
90 HG23 VAL 13 HG23 VAL 13 -0.129 -8.841 1.212
91 H CYS 14 HN CYS 14 3.764 -8.014 1.422
92 HA CYS 14 HA CYS 14 2.816 -8.143 -1.234
93 HB2 CYS 14 HB2 CYS 14 5.183 -6.999 0.103
94 HB3 CYS 14 HB1 CYS 14 5.372 -7.364 -1.608
95 H ARG 15 HN ARG 15 5.166 -10.025 0.524
96 HA ARG 15 HA ARG 15 6.332 -11.354 -1.675
97 HB2 ARG 15 HB2 ARG 15 5.942 -12.352 1.145
98 HB3 ARG 15 HB1 ARG 15 7.028 -13.054 -0.044
99 HG2 ARG 15 HG2 ARG 15 8.295 -10.938 -0.082
100 HG3 ARG 15 HG1 ARG 15 7.239 -10.319 1.191
101 HD2 ARG 15 HD2 ARG 15 7.918 -12.206 2.624
102 HD3 ARG 15 HD1 ARG 15 9.018 -12.744 1.362
103 HE ARG 15 HE ARG 15 9.295 -10.208 2.852
104 HH11 ARG 15 HH11 ARG 15 10.678 -12.848 1.009
105 HH12 ARG 15 HH12 ARG 15 12.313 -12.416 1.377
106 HH21 ARG 15 HH21 ARG 15 11.446 -9.648 3.351
107 HH22 ARG 15 HH22 ARG 15 12.753 -10.585 2.696
108 H ASP 16 HN ASP 16 3.480 -11.930 0.249
109 HA ASP 16 HA ASP 16 2.857 -14.474 -0.893
110 HB2 ASP 16 HB2 ASP 16 2.094 -13.737 1.361
111 HB3 ASP 16 HB1 ASP 16 1.049 -12.551 0.593
112 H GLY 17 HN GLY 17 2.620 -11.316 -2.016
113 HA2 GLY 17 HA2 GLY 17 1.940 -10.787 -4.221
114 HA3 GLY 17 HA1 GLY 17 0.864 -12.176 -4.196
115 H GLY 18 HN GLY 18 0.902 -10.104 -1.446
116 HA2 GLY 18 HA2 GLY 18 -1.832 -9.481 -1.611
117 HA3 GLY 18 HA1 GLY 18 -0.668 -8.692 -0.564
118 H GLU 19 HN GLU 19 -2.841 -7.417 -1.829
119 HA GLU 19 HA GLU 19 -1.815 -6.034 -4.153
120 HB2 GLU 19 HB2 GLU 19 -4.398 -5.746 -2.622
121 HB3 GLU 19 HB1 GLU 19 -4.022 -4.915 -4.125
122 HG2 GLU 19 HG2 GLU 19 -3.969 -6.963 -5.334
123 HG3 GLU 19 HG1 GLU 19 -4.067 -7.904 -3.846
124 H LEU 20 HN LEU 20 -1.804 -3.701 -4.282
125 HA LEU 20 HA LEU 20 -1.037 -2.442 -1.725
126 HB2 LEU 20 HB2 LEU 20 0.799 -3.021 -3.427
127 HB3 LEU 20 HB1 LEU 20 0.114 -1.756 -4.425
128 HG LEU 20 HG LEU 20 1.054 -1.205 -1.614
129 HD11 LEU 20 HD11 LEU 20 3.191 -0.517 -2.516
130 HD12 LEU 20 HD12 LEU 20 2.688 -0.976 -4.143
131 HD13 LEU 20 HD13 LEU 20 2.904 -2.215 -2.907
132 HD21 LEU 20 HD21 LEU 20 0.789 0.571 -4.044
133 HD22 LEU 20 HD22 LEU 20 1.236 1.071 -2.413
134 HD23 LEU 20 HD23 LEU 20 -0.387 0.464 -2.732
135 H PHE 21 HN PHE 21 -2.164 -0.627 -1.224
136 HA PHE 21 HA PHE 21 -3.844 0.519 -3.359
137 HB2 PHE 21 HB2 PHE 21 -4.592 0.072 -0.461
138 HB3 PHE 21 HB1 PHE 21 -5.603 0.889 -1.654
139 HD1 PHE 21 HD2 PHE 21 -6.399 -0.410 -3.663
140 HD2 PHE 21 HD1 PHE 21 -4.570 -2.273 -0.297
141 HE1 PHE 21 HE2 PHE 21 -7.358 -2.568 -4.337
142 HE2 PHE 21 HE1 PHE 21 -5.532 -4.432 -0.971
143 HZ PHE 21 HZ PHE 21 -6.863 -4.593 -3.043
144 H CYS 22 HN CYS 22 -1.511 1.734 -3.085
145 HA CYS 22 HA CYS 22 -2.439 4.358 -2.425
146 HB2 CYS 22 HB2 CYS 22 -0.608 4.965 -0.918
147 HB3 CYS 22 HB1 CYS 22 -1.581 3.668 -0.234
148 H CYS 23 HN CYS 23 -0.636 6.003 -2.999
149 HA CYS 23 HA CYS 23 0.255 5.347 -5.637
150 HB2 CYS 23 HB2 CYS 23 1.139 7.784 -4.102
151 HB3 CYS 23 HB1 CYS 23 0.877 7.617 -5.836
152 H ASP 24 HN ASP 24 2.576 5.640 -6.318
153 HA ASP 24 HA ASP 24 4.271 3.958 -4.883
154 HB2 ASP 24 HB2 ASP 24 4.916 6.062 -6.948
155 HB3 ASP 24 HB1 ASP 24 6.109 4.941 -6.306
156 H THR 25 HN THR 25 4.222 7.506 -4.993
157 HA THR 25 HA THR 25 6.336 7.980 -3.229
158 HB THR 25 HB THR 25 3.869 9.699 -3.475
159 HG1 THR 25 HG1 THR 25 5.989 10.326 -5.102
160 HG21 THR 25 HG21 THR 25 6.768 10.360 -2.943
161 HG22 THR 25 HG22 THR 25 5.464 10.386 -1.755
162 HG23 THR 25 HG23 THR 25 5.458 11.532 -3.097
163 H CYS 26 HN CYS 26 2.871 7.602 -2.613
164 HA CYS 26 HA CYS 26 2.984 8.023 0.173
165 HB2 CYS 26 HB2 CYS 26 0.934 6.508 -1.459
166 HB3 CYS 26 HB1 CYS 26 0.696 7.138 0.173
167 H SER 27 HN SER 27 3.406 5.177 -1.824
168 HA SER 27 HA SER 27 3.303 3.252 0.257
169 HB2 SER 27 HB2 SER 27 3.011 2.719 -2.145
170 HB3 SER 27 HB1 SER 27 4.701 3.127 -2.429
171 HG SER 27 HG SER 27 5.023 1.095 -2.008
172 H ARG 28 HN ARG 28 5.832 5.244 -1.125
173 HA ARG 28 HA ARG 28 8.046 3.933 -0.019
174 HB2 ARG 28 HB2 ARG 28 7.566 6.737 -0.957
175 HB3 ARG 28 HB1 ARG 28 9.117 6.259 -0.280
176 HG2 ARG 28 HG2 ARG 28 9.538 4.751 -2.024
177 HG3 ARG 28 HG1 ARG 28 7.855 4.764 -2.555
178 HD2 ARG 28 HD2 ARG 28 9.405 6.055 -4.020
179 HD3 ARG 28 HD1 ARG 28 8.062 6.995 -3.377
180 HE ARG 28 HE ARG 28 9.999 7.495 -1.588
181 HH11 ARG 28 HH11 ARG 28 9.975 7.590 -5.084
182 HH12 ARG 28 HH12 ARG 28 11.147 8.865 -5.183
183 HH21 ARG 28 HH21 ARG 28 11.514 9.191 -1.707
184 HH22 ARG 28 HH22 ARG 28 12.018 9.783 -3.261
185 H VAL 29 HN VAL 29 5.778 6.166 1.390
186 HA VAL 29 HA VAL 29 7.511 6.471 3.720
187 HB VAL 29 HB VAL 29 5.857 8.223 4.445
188 HG11 VAL 29 HG11 VAL 29 7.975 8.797 3.402
189 HG12 VAL 29 HG12 VAL 29 6.705 9.895 2.856
190 HG13 VAL 29 HG13 VAL 29 7.261 8.593 1.801
191 HG21 VAL 29 HG21 VAL 29 3.946 7.487 3.114
192 HG22 VAL 29 HG22 VAL 29 4.831 7.853 1.633
193 HG23 VAL 29 HG23 VAL 29 4.378 9.154 2.733
194 H PHE 30 HN PHE 30 4.414 5.071 2.815
195 HA PHE 30 HA PHE 30 4.264 3.917 5.510
196 HB2 PHE 30 HB2 PHE 30 1.923 5.236 4.120
197 HB3 PHE 30 HB1 PHE 30 1.831 4.329 5.624
198 HD1 PHE 30 HD2 PHE 30 3.456 5.223 7.526
199 HD2 PHE 30 HD1 PHE 30 2.054 7.527 4.229
200 HE1 PHE 30 HE2 PHE 30 3.884 7.289 8.790
201 HE2 PHE 30 HE1 PHE 30 2.477 9.593 5.494
202 HZ PHE 30 HZ PHE 30 3.395 9.474 7.771
203 H HIS 31 HN HIS 31 5.198 2.496 3.452
204 HA HIS 31 HA HIS 31 3.441 1.217 1.730
205 HB2 HIS 31 HB2 HIS 31 5.882 1.109 1.542
206 HB3 HIS 31 HB1 HIS 31 5.953 0.118 2.990
207 HD1 HIS 31 HD1 HIS 31 4.348 -0.117 -0.482
208 HD2 HIS 31 HD2 HIS 31 6.090 -2.489 2.455
209 HE1 HIS 31 HE1 HIS 31 4.453 -2.470 -1.424
210 H GLU 32 HN GLU 32 4.397 0.261 5.003
211 HA GLU 32 HA GLU 32 3.264 -2.314 4.939
212 HB2 GLU 32 HB2 GLU 32 3.562 -0.580 7.395
213 HB3 GLU 32 HB1 GLU 32 3.500 -2.333 7.340
214 HG2 GLU 32 HG2 GLU 32 5.747 -1.860 7.689
215 HG3 GLU 32 HG1 GLU 32 5.655 -2.173 5.958
216 H ASP 33 HN ASP 33 2.047 0.754 6.125
217 HA ASP 33 HA ASP 33 -0.487 -0.175 6.969
218 HB2 ASP 33 HB2 ASP 33 0.593 1.911 7.755
219 HB3 ASP 33 HB1 ASP 33 0.339 2.613 6.168
220 H CYS 34 HN CYS 34 0.776 0.714 3.879
221 HA CYS 34 HA CYS 34 -1.606 1.366 2.517
222 HB2 CYS 34 HB2 CYS 34 1.071 0.327 1.620
223 HB3 CYS 34 HB1 CYS 34 -0.240 0.558 0.469
224 H HIS 35 HN HIS 35 -0.696 -1.585 3.859
225 HA HIS 35 HA HIS 35 -2.363 -3.088 1.941
226 HB2 HIS 35 HB2 HIS 35 -0.245 -4.153 3.821
227 HB3 HIS 35 HB1 HIS 35 -1.182 -5.106 2.675
228 HD1 HIS 35 HD1 HIS 35 -0.417 -5.033 0.187
229 HD2 HIS 35 HD2 HIS 35 1.755 -2.559 2.718
230 HE1 HIS 35 HE1 HIS 35 1.631 -4.307 -1.109
231 H ILE 36 HN ILE 36 -2.799 -1.551 4.697
232 HA ILE 36 HA ILE 36 -4.242 -3.759 6.009
233 HB ILE 36 HB ILE 36 -2.650 -1.607 7.400
234 HG12 ILE 36 HG12 ILE 36 -2.131 -4.581 7.169
235 HG13 ILE 36 HG11 ILE 36 -1.235 -3.324 6.325
236 HG21 ILE 36 HG21 ILE 36 -4.146 -3.963 8.539
237 HG22 ILE 36 HG22 ILE 36 -4.648 -2.276 8.643
238 HG23 ILE 36 HG23 ILE 36 -3.175 -2.811 9.453
239 HD11 ILE 36 HD11 ILE 36 -0.009 -4.149 8.255
240 HD12 ILE 36 HD12 ILE 36 -1.351 -3.705 9.309
241 HD13 ILE 36 HD13 ILE 36 -0.444 -2.451 8.463
242 HA PRO 37 HA PRO 37 -5.853 -4.265 5.477
243 HB2 PRO 37 HB2 PRO 37 -8.641 -4.234 5.168
244 HB3 PRO 37 HB1 PRO 37 -7.763 -4.789 6.596
245 HG2 PRO 37 HG2 PRO 37 -9.461 -2.549 6.434
246 HG3 PRO 37 HG1 PRO 37 -8.365 -2.944 7.768
247 HD2 PRO 37 HD2 PRO 37 -7.978 -1.045 5.497
248 HD3 PRO 37 HD1 PRO 37 -7.400 -0.934 7.174
249 HA PRO 38 HA PRO 38 -6.008 -3.810 1.135
250 HB2 PRO 38 HB2 PRO 38 -7.730 -6.180 0.790
251 HB3 PRO 38 HB1 PRO 38 -6.086 -5.888 0.221
252 HG2 PRO 38 HG2 PRO 38 -6.585 -7.578 2.241
253 HG3 PRO 38 HG1 PRO 38 -5.129 -6.564 2.207
254 HD2 PRO 38 HD2 PRO 38 -7.659 -6.196 3.772
255 HD3 PRO 38 HD1 PRO 38 -5.975 -5.915 4.268
256 H VAL 39 HN VAL 39 -9.153 -5.422 1.209
257 HA VAL 39 HA VAL 39 -10.361 -2.940 0.193
258 HB VAL 39 HB VAL 39 -11.758 -4.421 -1.330
259 HG11 VAL 39 HG11 VAL 39 -10.010 -4.524 -3.065
260 HG12 VAL 39 HG12 VAL 39 -8.794 -4.189 -1.832
261 HG13 VAL 39 HG13 VAL 39 -10.025 -2.982 -2.210
262 HG21 VAL 39 HG21 VAL 39 -9.551 -6.386 -0.734
263 HG22 VAL 39 HG22 VAL 39 -10.782 -6.566 -1.985
264 HG23 VAL 39 HG23 VAL 39 -11.246 -6.563 -0.282
265 H GLU 40 HN GLU 40 -10.602 -3.563 2.800
266 HA GLU 40 HA GLU 40 -13.085 -5.023 3.187
267 HB2 GLU 40 HB2 GLU 40 -11.279 -3.642 5.182
268 HB3 GLU 40 HB1 GLU 40 -12.676 -4.627 5.593
269 HG2 GLU 40 HG2 GLU 40 -10.233 -5.606 4.133
270 HG3 GLU 40 HG1 GLU 40 -10.554 -5.828 5.852
271 H ALA 41 HN ALA 41 -12.456 -2.077 2.092
272 HA ALA 41 HA ALA 41 -14.960 -0.994 3.093
273 HB1 ALA 41 HB1 ALA 41 -13.982 1.127 3.785
274 HB2 ALA 41 HB2 ALA 41 -12.369 0.513 3.422
275 HB3 ALA 41 HB3 ALA 41 -13.315 -0.209 4.723
276 H GLU 42 HN GLU 42 -14.418 -1.921 0.551
277 HA GLU 42 HA GLU 42 -14.693 -1.360 -1.638
278 HB2 GLU 42 HB2 GLU 42 -15.614 1.245 -0.416
279 HB3 GLU 42 HB1 GLU 42 -15.839 0.797 -2.101
280 HG2 GLU 42 HG2 GLU 42 -16.939 -0.759 0.227
281 HG3 GLU 42 HG1 GLU 42 -17.839 0.460 -0.675
282 H ARG 43 HN ARG 43 -12.353 -1.478 -1.922
283 HA ARG 43 HA ARG 43 -11.177 1.156 -2.476
284 HB2 ARG 43 HB2 ARG 43 -9.845 -1.055 -0.903
285 HB3 ARG 43 HB1 ARG 43 -9.019 0.377 -1.504
286 HG2 ARG 43 HG2 ARG 43 -10.405 1.801 -0.132
287 HG3 ARG 43 HG1 ARG 43 -11.338 0.408 0.414
288 HD2 ARG 43 HD2 ARG 43 -9.334 -0.521 1.464
289 HD3 ARG 43 HD1 ARG 43 -8.398 0.868 0.908
290 HE ARG 43 HE ARG 43 -10.585 1.815 2.370
291 HH11 ARG 43 HH11 ARG 43 -7.644 -0.012 2.930
292 HH12 ARG 43 HH12 ARG 43 -7.447 0.572 4.552
293 HH21 ARG 43 HH21 ARG 43 -10.340 2.555 4.513
294 HH22 ARG 43 HH22 ARG 43 -8.987 2.011 5.455
295 H THR 44 HN THR 44 -12.268 -0.547 -4.377
296 HA THR 44 HA THR 44 -9.851 -1.582 -5.715
297 HB THR 44 HB THR 44 -11.434 -3.388 -5.101
298 HG1 THR 44 HG1 THR 44 -11.813 -3.493 -7.800
299 HG21 THR 44 HG21 THR 44 -13.601 -3.561 -6.222
300 HG22 THR 44 HG22 THR 44 -13.345 -1.987 -6.970
301 HG23 THR 44 HG23 THR 44 -13.523 -2.112 -5.222
302 HA PRO 45 HA PRO 45 -9.399 -2.380 -7.690
303 HB2 PRO 45 HB2 PRO 45 -7.914 -0.967 -9.746
304 HB3 PRO 45 HB1 PRO 45 -8.798 -2.491 -9.878
305 HG2 PRO 45 HG2 PRO 45 -9.591 -0.199 -11.114
306 HG3 PRO 45 HG1 PRO 45 -10.722 -1.465 -10.588
307 HD2 PRO 45 HD2 PRO 45 -10.035 1.133 -9.248
308 HD3 PRO 45 HD1 PRO 45 -11.620 0.359 -9.459
309 H TRP 46 HN TRP 46 -8.197 0.914 -8.307
310 HA TRP 46 HA TRP 46 -6.215 0.497 -6.167
311 HB2 TRP 46 HB2 TRP 46 -5.057 0.606 -8.320
312 HB3 TRP 46 HB1 TRP 46 -5.902 2.092 -8.732
313 HD1 TRP 46 HD1 TRP 46 -3.083 0.789 -6.472
314 HE1 TRP 46 HE1 TRP 46 -1.639 2.786 -5.726
315 HE3 TRP 46 HE3 TRP 46 -5.932 4.602 -8.354
316 HZ2 TRP 46 HZ2 TRP 46 -1.703 5.602 -5.913
317 HZ3 TRP 46 HZ3 TRP 46 -5.162 6.917 -8.031
318 HH2 TRP 46 HH2 TRP 46 -3.091 7.403 -6.835
319 H ASN 47 HN ASN 47 -6.772 1.650 -4.468
320 HA ASN 47 HA ASN 47 -7.494 4.452 -4.874
321 HB2 ASN 47 HB2 ASN 47 -9.018 2.493 -3.148
322 HB3 ASN 47 HB1 ASN 47 -9.140 4.237 -2.948
323 HD21 ASN 47 HD21 ASN 47 -9.975 1.513 -4.902
324 HD22 ASN 47 HD22 ASN 47 -11.080 2.339 -5.947
325 H CYS 48 HN CYS 48 -5.836 5.472 -4.000
326 HA CYS 48 HA CYS 48 -4.225 4.427 -1.915
327 HB2 CYS 48 HB2 CYS 48 -3.350 6.050 -3.542
328 HB3 CYS 48 HB1 CYS 48 -4.484 7.260 -2.958
329 H ILE 49 HN ILE 49 -5.071 4.069 0.009
330 HA ILE 49 HA ILE 49 -7.312 5.284 1.100
331 HB ILE 49 HB ILE 49 -6.635 4.309 3.250
332 HG12 ILE 49 HG12 ILE 49 -4.040 3.642 1.824
333 HG13 ILE 49 HG11 ILE 49 -4.220 4.773 3.162
334 HG21 ILE 49 HG21 ILE 49 -7.713 2.906 1.597
335 HG22 ILE 49 HG22 ILE 49 -6.510 1.970 2.482
336 HG23 ILE 49 HG23 ILE 49 -6.157 2.542 0.853
337 HD11 ILE 49 HD11 ILE 49 -4.911 2.924 4.608
338 HD12 ILE 49 HD12 ILE 49 -3.307 2.668 3.921
339 HD13 ILE 49 HD13 ILE 49 -4.698 1.805 3.262
340 H PHE 50 HN PHE 50 -4.023 6.373 1.088
341 HA PHE 50 HA PHE 50 -4.398 8.332 3.146
342 HB2 PHE 50 HB2 PHE 50 -2.214 8.090 1.062
343 HB3 PHE 50 HB1 PHE 50 -2.186 9.178 2.450
344 HD1 PHE 50 HD1 PHE 50 -2.197 8.186 4.766
345 HD2 PHE 50 HD2 PHE 50 -1.549 5.854 1.264
346 HE1 PHE 50 HE1 PHE 50 -1.168 6.424 6.132
347 HE2 PHE 50 HE2 PHE 50 -0.523 4.089 2.626
348 HZ PHE 50 HZ PHE 50 -0.444 4.334 5.090
349 H CYS 51 HN CYS 51 -4.175 8.491 -0.415
350 HA CYS 51 HA CYS 51 -4.662 11.314 -0.445
351 HB2 CYS 51 HB2 CYS 51 -4.534 9.254 -2.646
352 HB3 CYS 51 HB1 CYS 51 -4.891 10.949 -2.955
353 H ARG 52 HN ARG 52 -6.670 8.461 -0.752
354 HA ARG 52 HA ARG 52 -8.914 9.936 -1.791
355 HB2 ARG 52 HB2 ARG 52 -8.413 7.485 -2.258
356 HB3 ARG 52 HB1 ARG 52 -8.960 7.155 -0.620
357 HG2 ARG 52 HG2 ARG 52 -10.729 6.728 -2.218
358 HG3 ARG 52 HG1 ARG 52 -11.159 8.079 -1.166
359 HD2 ARG 52 HD2 ARG 52 -10.470 9.653 -2.914
360 HD3 ARG 52 HD1 ARG 52 -10.045 8.302 -3.962
361 HE ARG 52 HE ARG 52 -12.580 7.744 -3.540
362 HH11 ARG 52 HH11 ARG 52 -11.098 10.857 -4.144
363 HH12 ARG 52 HH12 ARG 52 -12.498 11.520 -4.923
364 HH21 ARG 52 HH21 ARG 52 -14.429 8.609 -4.567
365 HH22 ARG 52 HH22 ARG 52 -14.404 10.240 -5.161
366 H MET 53 HN MET 53 -7.577 9.332 1.251
367 HA MET 53 HA MET 53 -9.972 10.435 2.549
368 HB2 MET 53 HB2 MET 53 -8.208 8.219 3.626
369 HB3 MET 53 HB1 MET 53 -9.451 9.040 4.555
370 HG2 MET 53 HG2 MET 53 -11.161 8.198 3.060
371 HG3 MET 53 HG1 MET 53 -9.932 7.428 2.059
372 HE1 MET 53 HE1 MET 53 -11.633 7.515 5.584
373 HE2 MET 53 HE2 MET 53 -9.925 7.598 6.017
374 HE3 MET 53 HE3 MET 53 -10.862 6.155 6.399
375 H LYS 54 HN LYS 54 -8.069 12.104 1.684
376 HA LYS 54 HA LYS 54 -6.172 12.502 3.864
377 HB2 LYS 54 HB2 LYS 54 -5.139 14.214 2.390
378 HB3 LYS 54 HB1 LYS 54 -5.161 12.601 1.699
379 HG2 LYS 54 HG2 LYS 54 -7.087 13.229 0.314
380 HG3 LYS 54 HG1 LYS 54 -7.024 14.860 0.990
381 HD2 LYS 54 HD2 LYS 54 -4.732 15.107 0.128
382 HD3 LYS 54 HD1 LYS 54 -4.832 13.495 -0.575
383 HE2 LYS 54 HE2 LYS 54 -6.688 14.234 -1.994
384 HE3 LYS 54 HE1 LYS 54 -6.585 15.846 -1.289
385 HZ1 LYS 54 HZ1 LYS 54 -5.443 15.757 -3.404
386 HZ2 LYS 54 HZ2 LYS 54 -4.458 14.496 -2.865
387 HZ3 LYS 54 HZ3 LYS 54 -4.327 16.029 -2.163
388 H GLU 55 HN GLU 55 -8.525 12.918 4.860
389 HA GLU 55 HA GLU 55 -8.800 15.845 4.974
390 HB2 GLU 55 HB2 GLU 55 -10.806 14.174 4.507
391 HB3 GLU 55 HB1 GLU 55 -10.777 14.006 6.256
392 HG2 GLU 55 HG2 GLU 55 -12.388 15.679 5.567
393 HG3 GLU 55 HG1 GLU 55 -11.085 16.406 6.508
394 H SER 56 HN SER 56 -6.753 14.147 6.168
395 HA SER 56 HA SER 56 -7.335 14.290 9.030
396 HB2 SER 56 HB2 SER 56 -6.437 12.158 8.074
397 HB3 SER 56 HB1 SER 56 -4.971 13.020 7.614
398 HG SER 56 HG SER 56 -5.909 12.311 10.163
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 7.635 -1.835 -11.560
2 H2 GLY 1 HT2 GLY 1 6.346 -1.712 -12.648
3 H3 GLY 1 HT3 GLY 1 7.724 -2.594 -13.068
4 HA2 GLY 1 HA1 GLY 1 5.899 -4.060 -12.464
5 HA3 GLY 1 HA2 GLY 1 7.273 -4.226 -11.380
6 H ALA 2 HN ALA 2 4.739 -5.051 -10.624
7 HA ALA 2 HA ALA 2 3.390 -3.082 -9.064
8 HB1 ALA 2 HB1 ALA 2 2.300 -5.155 -9.814
9 HB2 ALA 2 HB2 ALA 2 2.203 -4.960 -8.066
10 HB3 ALA 2 HB3 ALA 2 3.364 -6.089 -8.763
11 H MET 3 HN MET 3 5.786 -5.579 -8.328
12 HA MET 3 HA MET 3 6.238 -4.303 -5.709
13 HB2 MET 3 HB2 MET 3 5.586 -6.685 -5.602
14 HB3 MET 3 HB1 MET 3 6.957 -7.099 -6.619
15 HG2 MET 3 HG2 MET 3 8.487 -6.299 -4.894
16 HG3 MET 3 HG1 MET 3 7.117 -5.864 -3.876
17 HE1 MET 3 HE1 MET 3 8.186 -7.285 -1.886
18 HE2 MET 3 HE2 MET 3 9.541 -7.724 -2.925
19 HE3 MET 3 HE3 MET 3 8.663 -8.975 -2.045
20 H GLY 4 HN GLY 4 7.907 -2.950 -5.779
21 HA2 GLY 4 HA2 GLY 4 10.104 -3.554 -7.651
22 HA3 GLY 4 HA1 GLY 4 9.690 -1.947 -7.075
23 H MET 5 HN MET 5 11.433 -1.276 -6.013
24 HA MET 5 HA MET 5 12.839 -3.144 -4.255
25 HB2 MET 5 HB2 MET 5 14.590 -1.370 -4.162
26 HB3 MET 5 HB1 MET 5 14.273 -1.967 -5.784
27 HG2 MET 5 HG2 MET 5 12.890 0.008 -6.230
28 HG3 MET 5 HG1 MET 5 13.247 0.612 -4.614
29 HE1 MET 5 HE1 MET 5 15.286 2.990 -6.999
30 HE2 MET 5 HE2 MET 5 14.061 2.911 -5.731
31 HE3 MET 5 HE3 MET 5 13.719 2.253 -7.331
32 H ARG 6 HN ARG 6 10.454 -2.600 -3.240
33 HA ARG 6 HA ARG 6 11.023 -0.710 -1.051
34 HB2 ARG 6 HB2 ARG 6 8.275 -1.350 -2.136
35 HB3 ARG 6 HB1 ARG 6 8.678 -0.148 -0.920
36 HG2 ARG 6 HG2 ARG 6 9.475 -0.066 -3.821
37 HG3 ARG 6 HG1 ARG 6 8.198 0.885 -3.064
38 HD2 ARG 6 HD2 ARG 6 9.820 2.017 -1.672
39 HD3 ARG 6 HD1 ARG 6 11.114 1.002 -2.307
40 HE ARG 6 HE ARG 6 9.650 2.556 -4.267
41 HH11 ARG 6 HH11 ARG 6 12.458 2.327 -2.196
42 HH12 ARG 6 HH12 ARG 6 13.364 3.515 -3.079
43 HH21 ARG 6 HH21 ARG 6 10.841 4.112 -5.439
44 HH22 ARG 6 HH22 ARG 6 12.448 4.527 -4.925
45 H ASN 7 HN ASN 7 11.785 -2.223 0.372
46 HA ASN 7 HA ASN 7 9.869 -4.312 1.178
47 HB2 ASN 7 HB2 ASN 7 12.892 -4.394 1.298
48 HB3 ASN 7 HB1 ASN 7 11.830 -5.615 1.982
49 HD21 ASN 7 HD21 ASN 7 13.133 -4.264 -0.944
50 HD22 ASN 7 HD22 ASN 7 12.607 -5.530 -1.999
51 H LEU 8 HN LEU 8 8.907 -2.800 2.598
52 HA LEU 8 HA LEU 8 10.516 -1.634 4.695
53 HB2 LEU 8 HB2 LEU 8 7.633 -1.461 3.925
54 HB3 LEU 8 HB1 LEU 8 8.133 -0.948 5.521
55 HG LEU 8 HG LEU 8 7.975 0.972 4.079
56 HD11 LEU 8 HD11 LEU 8 10.156 1.933 4.360
57 HD12 LEU 8 HD12 LEU 8 10.882 0.337 4.520
58 HD13 LEU 8 HD13 LEU 8 9.774 0.929 5.758
59 HD21 LEU 8 HD21 LEU 8 8.263 -0.131 1.925
60 HD22 LEU 8 HD22 LEU 8 9.972 -0.388 2.276
61 HD23 LEU 8 HD23 LEU 8 9.346 1.250 2.089
62 H ASP 9 HN ASP 9 11.052 -2.665 6.411
63 HA ASP 9 HA ASP 9 11.277 -4.307 7.990
64 HB2 ASP 9 HB2 ASP 9 9.421 -2.729 8.779
65 HB3 ASP 9 HB1 ASP 9 8.304 -4.013 8.334
66 H GLU 10 HN GLU 10 10.609 -5.242 5.280
67 HA GLU 10 HA GLU 10 10.245 -7.186 4.169
68 HB2 GLU 10 HB2 GLU 10 10.258 -8.398 6.932
69 HB3 GLU 10 HB1 GLU 10 10.272 -9.316 5.433
70 HG2 GLU 10 HG2 GLU 10 12.392 -8.225 4.828
71 HG3 GLU 10 HG1 GLU 10 12.387 -7.406 6.387
72 H CYS 11 HN CYS 11 8.305 -6.520 3.382
73 HA CYS 11 HA CYS 11 5.857 -6.749 4.856
74 HB2 CYS 11 HB2 CYS 11 6.364 -4.975 3.183
75 HB3 CYS 11 HB1 CYS 11 6.324 -6.196 1.925
76 H GLU 12 HN GLU 12 5.160 -8.751 5.267
77 HA GLU 12 HA GLU 12 5.738 -11.006 3.672
78 HB2 GLU 12 HB2 GLU 12 3.763 -10.584 5.900
79 HB3 GLU 12 HB1 GLU 12 4.033 -12.144 5.132
80 HG2 GLU 12 HG2 GLU 12 6.080 -10.507 6.611
81 HG3 GLU 12 HG1 GLU 12 5.292 -11.974 7.192
82 H VAL 13 HN VAL 13 3.032 -8.787 3.741
83 HA VAL 13 HA VAL 13 1.316 -10.473 2.227
84 HB VAL 13 HB VAL 13 0.346 -8.720 3.580
85 HG11 VAL 13 HG11 VAL 13 2.145 -7.079 3.354
86 HG12 VAL 13 HG12 VAL 13 0.554 -6.386 3.049
87 HG13 VAL 13 HG13 VAL 13 1.625 -6.759 1.700
88 HG21 VAL 13 HG21 VAL 13 -0.882 -9.461 1.592
89 HG22 VAL 13 HG22 VAL 13 -0.126 -8.169 0.660
90 HG23 VAL 13 HG23 VAL 13 -1.219 -7.775 1.987
91 H CYS 14 HN CYS 14 3.567 -7.868 1.323
92 HA CYS 14 HA CYS 14 3.008 -8.047 -1.458
93 HB2 CYS 14 HB2 CYS 14 5.253 -6.885 0.142
94 HB3 CYS 14 HB1 CYS 14 5.421 -7.043 -1.602
95 H ARG 15 HN ARG 15 5.027 -9.806 0.723
96 HA ARG 15 HA ARG 15 6.621 -11.225 -1.102
97 HB2 ARG 15 HB2 ARG 15 7.033 -11.221 1.306
98 HB3 ARG 15 HB1 ARG 15 5.524 -12.076 1.582
99 HG2 ARG 15 HG2 ARG 15 6.426 -13.992 0.317
100 HG3 ARG 15 HG1 ARG 15 7.964 -13.138 0.174
101 HD2 ARG 15 HD2 ARG 15 8.143 -13.056 2.613
102 HD3 ARG 15 HD1 ARG 15 6.606 -13.905 2.757
103 HE ARG 15 HE ARG 15 8.513 -15.370 1.205
104 HH11 ARG 15 HH11 ARG 15 7.528 -14.599 4.485
105 HH12 ARG 15 HH12 ARG 15 8.201 -16.054 5.154
106 HH21 ARG 15 HH21 ARG 15 9.395 -17.277 2.093
107 HH22 ARG 15 HH22 ARG 15 9.259 -17.574 3.796
108 H ASP 16 HN ASP 16 3.365 -11.792 0.114
109 HA ASP 16 HA ASP 16 2.991 -14.173 -1.473
110 HB2 ASP 16 HB2 ASP 16 1.305 -12.569 0.397
111 HB3 ASP 16 HB1 ASP 16 0.497 -13.629 -0.753
112 H GLY 17 HN GLY 17 3.082 -10.958 -2.224
113 HA2 GLY 17 HA2 GLY 17 2.625 -9.919 -4.248
114 HA3 GLY 17 HA1 GLY 17 1.803 -11.381 -4.776
115 H GLY 18 HN GLY 18 0.931 -10.029 -1.742
116 HA2 GLY 18 HA2 GLY 18 -1.778 -9.718 -2.339
117 HA3 GLY 18 HA1 GLY 18 -0.958 -8.998 -0.967
118 H GLU 19 HN GLU 19 -2.939 -7.535 -1.837
119 HA GLU 19 HA GLU 19 -2.246 -5.878 -4.086
120 HB2 GLU 19 HB2 GLU 19 -4.558 -5.823 -2.145
121 HB3 GLU 19 HB1 GLU 19 -4.408 -4.752 -3.531
122 HG2 GLU 19 HG2 GLU 19 -4.464 -6.665 -5.033
123 HG3 GLU 19 HG1 GLU 19 -4.572 -7.755 -3.650
124 H LEU 20 HN LEU 20 -2.090 -3.602 -3.998
125 HA LEU 20 HA LEU 20 -1.314 -2.473 -1.400
126 HB2 LEU 20 HB2 LEU 20 0.614 -3.190 -2.963
127 HB3 LEU 20 HB1 LEU 20 0.128 -1.837 -3.965
128 HG LEU 20 HG LEU 20 0.808 -1.420 -1.066
129 HD11 LEU 20 HD11 LEU 20 2.689 -2.632 -2.074
130 HD12 LEU 20 HD12 LEU 20 3.109 -0.958 -1.711
131 HD13 LEU 20 HD13 LEU 20 2.758 -1.439 -3.370
132 HD21 LEU 20 HD21 LEU 20 1.375 0.813 -1.823
133 HD22 LEU 20 HD22 LEU 20 -0.269 0.411 -2.319
134 HD23 LEU 20 HD23 LEU 20 1.047 0.360 -3.495
135 H PHE 21 HN PHE 21 -2.444 -0.647 -1.002
136 HA PHE 21 HA PHE 21 -4.047 0.417 -3.234
137 HB2 PHE 21 HB2 PHE 21 -4.602 0.624 -0.262
138 HB3 PHE 21 HB1 PHE 21 -5.704 1.043 -1.573
139 HD1 PHE 21 HD2 PHE 21 -6.020 -1.002 -3.315
140 HD2 PHE 21 HD1 PHE 21 -5.008 -1.370 0.808
141 HE1 PHE 21 HE2 PHE 21 -6.900 -3.298 -3.306
142 HE2 PHE 21 HE1 PHE 21 -5.884 -3.669 0.818
143 HZ PHE 21 HZ PHE 21 -6.834 -4.633 -1.239
144 H CYS 22 HN CYS 22 -1.540 1.438 -3.185
145 HA CYS 22 HA CYS 22 -1.956 4.195 -2.329
146 HB2 CYS 22 HB2 CYS 22 0.424 2.554 -1.423
147 HB3 CYS 22 HB1 CYS 22 0.203 4.278 -1.140
148 H CYS 23 HN CYS 23 -0.777 5.682 -3.530
149 HA CYS 23 HA CYS 23 0.383 4.916 -5.997
150 HB2 CYS 23 HB2 CYS 23 0.994 7.526 -4.619
151 HB3 CYS 23 HB1 CYS 23 0.790 7.216 -6.344
152 H ASP 24 HN ASP 24 2.732 5.612 -6.567
153 HA ASP 24 HA ASP 24 4.479 3.947 -5.187
154 HB2 ASP 24 HB2 ASP 24 5.188 6.360 -6.872
155 HB3 ASP 24 HB1 ASP 24 6.305 5.084 -6.405
156 H THR 25 HN THR 25 4.225 7.486 -4.977
157 HA THR 25 HA THR 25 6.239 7.798 -3.026
158 HB THR 25 HB THR 25 3.906 9.626 -3.609
159 HG1 THR 25 HG1 THR 25 4.900 9.851 -5.465
160 HG21 THR 25 HG21 THR 25 6.615 10.194 -2.398
161 HG22 THR 25 HG22 THR 25 5.086 10.165 -1.522
162 HG23 THR 25 HG23 THR 25 5.371 11.391 -2.756
163 H CYS 26 HN CYS 26 2.715 7.580 -2.797
164 HA CYS 26 HA CYS 26 2.477 7.903 -0.030
165 HB2 CYS 26 HB2 CYS 26 0.714 6.281 -1.879
166 HB3 CYS 26 HB1 CYS 26 0.251 6.926 -0.305
167 H SER 27 HN SER 27 3.176 5.074 -1.985
168 HA SER 27 HA SER 27 2.911 3.154 0.105
169 HB2 SER 27 HB2 SER 27 2.716 2.602 -2.304
170 HB3 SER 27 HB1 SER 27 4.422 2.979 -2.514
171 HG SER 27 HG SER 27 4.134 0.758 -2.257
172 H ARG 28 HN ARG 28 5.599 5.018 -1.226
173 HA ARG 28 HA ARG 28 7.685 3.551 -0.041
174 HB2 ARG 28 HB2 ARG 28 7.511 6.393 -1.011
175 HB3 ARG 28 HB1 ARG 28 9.000 5.700 -0.384
176 HG2 ARG 28 HG2 ARG 28 9.014 4.042 -2.137
177 HG3 ARG 28 HG1 ARG 28 7.452 4.612 -2.728
178 HD2 ARG 28 HD2 ARG 28 9.195 5.512 -4.124
179 HD3 ARG 28 HD1 ARG 28 8.479 6.818 -3.180
180 HE ARG 28 HE ARG 28 10.662 5.917 -1.735
181 HH11 ARG 28 HH11 ARG 28 10.085 7.340 -4.880
182 HH12 ARG 28 HH12 ARG 28 11.631 8.123 -4.949
183 HH21 ARG 28 HH21 ARG 28 12.701 6.947 -1.823
184 HH22 ARG 28 HH22 ARG 28 13.126 7.892 -3.216
185 H VAL 29 HN VAL 29 5.706 6.179 1.152
186 HA VAL 29 HA VAL 29 7.437 6.567 3.440
187 HB VAL 29 HB VAL 29 4.829 7.946 2.811
188 HG11 VAL 29 HG11 VAL 29 7.051 8.673 4.715
189 HG12 VAL 29 HG12 VAL 29 5.447 8.094 5.162
190 HG13 VAL 29 HG13 VAL 29 5.630 9.658 4.369
191 HG21 VAL 29 HG21 VAL 29 6.230 9.794 2.000
192 HG22 VAL 29 HG22 VAL 29 6.445 8.330 1.039
193 HG23 VAL 29 HG23 VAL 29 7.663 8.792 2.228
194 H PHE 30 HN PHE 30 4.236 5.219 2.759
195 HA PHE 30 HA PHE 30 4.178 4.243 5.543
196 HB2 PHE 30 HB2 PHE 30 1.725 5.122 4.004
197 HB3 PHE 30 HB1 PHE 30 1.792 4.590 5.677
198 HD1 PHE 30 HD2 PHE 30 3.277 6.040 7.264
199 HD2 PHE 30 HD1 PHE 30 1.719 7.388 3.533
200 HE1 PHE 30 HE2 PHE 30 3.559 8.373 7.989
201 HE2 PHE 30 HE1 PHE 30 2.009 9.722 4.256
202 HZ PHE 30 HZ PHE 30 2.810 10.224 6.499
203 H HIS 31 HN HIS 31 5.250 2.531 3.931
204 HA HIS 31 HA HIS 31 3.535 1.121 2.185
205 HB2 HIS 31 HB2 HIS 31 6.019 1.124 2.038
206 HB3 HIS 31 HB1 HIS 31 6.070 0.116 3.478
207 HD1 HIS 31 HD1 HIS 31 4.680 -0.063 -0.087
208 HD2 HIS 31 HD2 HIS 31 6.027 -2.521 2.989
209 HE1 HIS 31 HE1 HIS 31 4.761 -2.420 -1.028
210 H GLU 32 HN GLU 32 4.656 0.339 5.478
211 HA GLU 32 HA GLU 32 3.394 -2.174 5.644
212 HB2 GLU 32 HB2 GLU 32 4.021 -0.211 7.854
213 HB3 GLU 32 HB1 GLU 32 3.622 -1.905 8.086
214 HG2 GLU 32 HG2 GLU 32 5.645 -2.615 7.113
215 HG3 GLU 32 HG1 GLU 32 5.987 -1.006 6.471
216 H ASP 33 HN ASP 33 2.447 0.987 6.805
217 HA ASP 33 HA ASP 33 -0.069 0.336 7.825
218 HB2 ASP 33 HB2 ASP 33 0.997 2.945 6.749
219 HB3 ASP 33 HB1 ASP 33 -0.524 2.791 7.622
220 H CYS 34 HN CYS 34 0.977 0.811 4.575
221 HA CYS 34 HA CYS 34 -1.513 1.559 3.443
222 HB2 CYS 34 HB2 CYS 34 0.609 1.960 2.283
223 HB3 CYS 34 HB1 CYS 34 0.876 0.225 2.149
224 H HIS 35 HN HIS 35 -0.116 -1.492 4.344
225 HA HIS 35 HA HIS 35 -2.201 -2.966 2.900
226 HB2 HIS 35 HB2 HIS 35 0.123 -4.047 4.511
227 HB3 HIS 35 HB1 HIS 35 -0.942 -4.974 3.462
228 HD1 HIS 35 HD1 HIS 35 -0.453 -4.860 0.886
229 HD2 HIS 35 HD2 HIS 35 2.043 -2.503 3.229
230 HE1 HIS 35 HE1 HIS 35 1.494 -4.196 -0.586
231 H ILE 36 HN ILE 36 -2.251 -1.301 5.540
232 HA ILE 36 HA ILE 36 -3.680 -3.314 7.145
233 HB ILE 36 HB ILE 36 -1.941 -1.063 8.181
234 HG12 ILE 36 HG12 ILE 36 -1.613 -4.066 8.357
235 HG13 ILE 36 HG11 ILE 36 -0.668 -2.989 7.335
236 HG21 ILE 36 HG21 ILE 36 -3.526 -3.115 9.724
237 HG22 ILE 36 HG22 ILE 36 -3.919 -1.402 9.583
238 HG23 ILE 36 HG23 ILE 36 -2.445 -1.902 10.412
239 HD11 ILE 36 HD11 ILE 36 -0.716 -2.962 10.346
240 HD12 ILE 36 HD12 ILE 36 0.251 -1.908 9.313
241 HD13 ILE 36 HD13 ILE 36 0.556 -3.646 9.335
242 HA PRO 37 HA PRO 37 -5.134 -3.577 8.501
243 HB2 PRO 37 HB2 PRO 37 -8.000 -3.668 8.081
244 HB3 PRO 37 HB1 PRO 37 -7.114 -3.580 9.609
245 HG2 PRO 37 HG2 PRO 37 -8.661 -1.547 8.647
246 HG3 PRO 37 HG1 PRO 37 -7.259 -1.293 9.706
247 HD2 PRO 37 HD2 PRO 37 -7.460 -1.012 6.723
248 HD3 PRO 37 HD1 PRO 37 -6.638 0.037 7.902
249 HA PRO 38 HA PRO 38 -5.371 -6.055 4.749
250 HB2 PRO 38 HB2 PRO 38 -6.006 -8.258 6.631
251 HB3 PRO 38 HB1 PRO 38 -4.716 -8.144 5.429
252 HG2 PRO 38 HG2 PRO 38 -4.184 -7.926 8.041
253 HG3 PRO 38 HG1 PRO 38 -3.320 -6.949 6.837
254 HD2 PRO 38 HD2 PRO 38 -5.547 -6.154 8.682
255 HD3 PRO 38 HD1 PRO 38 -4.108 -5.234 8.185
256 H VAL 39 HN VAL 39 -7.279 -5.286 3.871
257 HA VAL 39 HA VAL 39 -9.813 -5.998 5.093
258 HB VAL 39 HB VAL 39 -10.784 -4.491 3.356
259 HG11 VAL 39 HG11 VAL 39 -9.934 -2.427 4.360
260 HG12 VAL 39 HG12 VAL 39 -8.578 -3.319 5.045
261 HG13 VAL 39 HG13 VAL 39 -10.222 -3.665 5.581
262 HG21 VAL 39 HG21 VAL 39 -9.073 -4.765 1.640
263 HG22 VAL 39 HG22 VAL 39 -7.888 -3.984 2.685
264 HG23 VAL 39 HG23 VAL 39 -9.262 -3.066 2.072
265 H GLU 40 HN GLU 40 -11.628 -6.636 3.645
266 HA GLU 40 HA GLU 40 -10.817 -8.235 1.332
267 HB2 GLU 40 HB2 GLU 40 -12.126 -10.160 2.116
268 HB3 GLU 40 HB1 GLU 40 -10.824 -9.779 3.235
269 HG2 GLU 40 HG2 GLU 40 -12.400 -8.652 4.706
270 HG3 GLU 40 HG1 GLU 40 -13.709 -8.995 3.578
271 H ALA 41 HN ALA 41 -12.759 -5.907 2.536
272 HA ALA 41 HA ALA 41 -14.895 -6.510 0.608
273 HB1 ALA 41 HB1 ALA 41 -15.702 -6.943 2.887
274 HB2 ALA 41 HB2 ALA 41 -16.564 -5.612 2.113
275 HB3 ALA 41 HB3 ALA 41 -15.327 -5.275 3.325
276 H GLU 42 HN GLU 42 -12.959 -4.085 2.237
277 HA GLU 42 HA GLU 42 -14.063 -2.046 0.429
278 HB2 GLU 42 HB2 GLU 42 -12.531 -1.726 3.015
279 HB3 GLU 42 HB1 GLU 42 -13.021 -0.393 1.979
280 HG2 GLU 42 HG2 GLU 42 -15.383 -1.096 2.295
281 HG3 GLU 42 HG1 GLU 42 -14.821 -2.299 3.455
282 H ARG 43 HN ARG 43 -12.170 -0.210 0.241
283 HA ARG 43 HA ARG 43 -10.369 0.391 -0.983
284 HB2 ARG 43 HB2 ARG 43 -9.220 -1.978 0.475
285 HB3 ARG 43 HB1 ARG 43 -8.260 -1.025 -0.642
286 HG2 ARG 43 HG2 ARG 43 -7.776 -0.186 1.495
287 HG3 ARG 43 HG1 ARG 43 -8.856 0.992 0.757
288 HD2 ARG 43 HD2 ARG 43 -10.742 -0.006 1.996
289 HD3 ARG 43 HD1 ARG 43 -9.622 -1.126 2.766
290 HE ARG 43 HE ARG 43 -8.885 1.624 3.117
291 HH11 ARG 43 HH11 ARG 43 -10.925 -0.929 4.363
292 HH12 ARG 43 HH12 ARG 43 -10.999 -0.266 5.960
293 HH21 ARG 43 HH21 ARG 43 -8.991 2.515 5.219
294 HH22 ARG 43 HH22 ARG 43 -9.899 1.693 6.449
295 H THR 44 HN THR 44 -11.866 -0.279 -2.754
296 HA THR 44 HA THR 44 -10.406 -2.016 -4.564
297 HB THR 44 HB THR 44 -11.931 -3.597 -3.526
298 HG1 THR 44 HG1 THR 44 -12.421 -4.446 -5.404
299 HG21 THR 44 HG21 THR 44 -13.637 -2.089 -2.696
300 HG22 THR 44 HG22 THR 44 -14.380 -3.324 -3.714
301 HG23 THR 44 HG23 THR 44 -14.128 -1.696 -4.344
302 HA PRO 45 HA PRO 45 -10.701 -2.755 -6.596
303 HB2 PRO 45 HB2 PRO 45 -9.621 -2.069 -8.953
304 HB3 PRO 45 HB1 PRO 45 -11.346 -2.448 -8.809
305 HG2 PRO 45 HG2 PRO 45 -9.994 0.230 -8.928
306 HG3 PRO 45 HG1 PRO 45 -11.472 -0.320 -9.752
307 HD2 PRO 45 HD2 PRO 45 -11.473 1.175 -7.445
308 HD3 PRO 45 HD1 PRO 45 -12.786 0.079 -7.914
309 H TRP 46 HN TRP 46 -9.562 0.393 -6.068
310 HA TRP 46 HA TRP 46 -6.946 -0.604 -5.307
311 HB2 TRP 46 HB2 TRP 46 -6.693 0.080 -7.689
312 HB3 TRP 46 HB1 TRP 46 -7.267 1.687 -7.272
313 HD1 TRP 46 HD1 TRP 46 -4.346 -0.635 -6.177
314 HE1 TRP 46 HE1 TRP 46 -2.255 0.833 -5.867
315 HE3 TRP 46 HE3 TRP 46 -6.412 3.930 -7.195
316 HZ2 TRP 46 HZ2 TRP 46 -1.575 3.575 -6.046
317 HZ3 TRP 46 HZ3 TRP 46 -4.973 5.921 -7.115
318 HH2 TRP 46 HH2 TRP 46 -2.611 5.748 -6.553
319 H ASN 47 HN ASN 47 -7.999 2.704 -5.944
320 HA ASN 47 HA ASN 47 -8.455 4.485 -4.619
321 HB2 ASN 47 HB2 ASN 47 -9.508 2.297 -2.819
322 HB3 ASN 47 HB1 ASN 47 -9.726 4.011 -2.491
323 HD21 ASN 47 HD21 ASN 47 -11.947 3.880 -2.616
324 HD22 ASN 47 HD22 ASN 47 -12.782 3.662 -4.113
325 H CYS 48 HN CYS 48 -6.378 5.253 -4.213
326 HA CYS 48 HA CYS 48 -4.684 4.203 -2.197
327 HB2 CYS 48 HB2 CYS 48 -3.739 5.564 -3.964
328 HB3 CYS 48 HB1 CYS 48 -4.723 6.939 -3.480
329 H ILE 49 HN ILE 49 -5.354 4.071 -0.188
330 HA ILE 49 HA ILE 49 -7.369 5.615 0.971
331 HB ILE 49 HB ILE 49 -6.497 4.707 3.169
332 HG12 ILE 49 HG12 ILE 49 -4.543 3.340 1.300
333 HG13 ILE 49 HG11 ILE 49 -4.146 4.472 2.587
334 HG21 ILE 49 HG21 ILE 49 -7.182 2.396 2.640
335 HG22 ILE 49 HG22 ILE 49 -7.089 2.781 0.922
336 HG23 ILE 49 HG23 ILE 49 -8.266 3.601 1.946
337 HD11 ILE 49 HD11 ILE 49 -3.660 2.194 3.247
338 HD12 ILE 49 HD12 ILE 49 -5.335 1.732 2.944
339 HD13 ILE 49 HD13 ILE 49 -4.954 2.866 4.241
340 H PHE 50 HN PHE 50 -3.888 6.106 0.935
341 HA PHE 50 HA PHE 50 -3.965 8.119 2.967
342 HB2 PHE 50 HB2 PHE 50 -1.785 7.373 1.011
343 HB3 PHE 50 HB1 PHE 50 -1.597 8.573 2.291
344 HD1 PHE 50 HD1 PHE 50 -2.374 7.698 4.694
345 HD2 PHE 50 HD2 PHE 50 -1.103 5.235 1.462
346 HE1 PHE 50 HE1 PHE 50 -1.751 5.934 6.283
347 HE2 PHE 50 HE2 PHE 50 -0.490 3.463 3.047
348 HZ PHE 50 HZ PHE 50 -1.004 3.780 5.494
349 H CYS 51 HN CYS 51 -4.199 8.163 -0.529
350 HA CYS 51 HA CYS 51 -4.002 11.010 -0.711
351 HB2 CYS 51 HB2 CYS 51 -4.808 8.839 -2.598
352 HB3 CYS 51 HB1 CYS 51 -5.285 10.492 -2.970
353 H ARG 52 HN ARG 52 -6.505 8.794 0.123
354 HA ARG 52 HA ARG 52 -8.629 10.713 -0.336
355 HB2 ARG 52 HB2 ARG 52 -8.716 7.992 0.982
356 HB3 ARG 52 HB1 ARG 52 -10.110 8.958 0.522
357 HG2 ARG 52 HG2 ARG 52 -9.543 8.740 -1.815
358 HG3 ARG 52 HG1 ARG 52 -8.064 7.869 -1.399
359 HD2 ARG 52 HD2 ARG 52 -9.760 6.289 -2.070
360 HD3 ARG 52 HD1 ARG 52 -9.440 6.109 -0.346
361 HE ARG 52 HE ARG 52 -11.729 7.692 -1.305
362 HH11 ARG 52 HH11 ARG 52 -10.441 5.051 0.609
363 HH12 ARG 52 HH12 ARG 52 -11.956 4.706 1.373
364 HH21 ARG 52 HH21 ARG 52 -13.719 7.235 -0.290
365 HH22 ARG 52 HH22 ARG 52 -13.817 5.944 0.869
366 H MET 53 HN MET 53 -6.806 9.387 2.367
367 HA MET 53 HA MET 53 -8.492 10.791 4.285
368 HB2 MET 53 HB2 MET 53 -6.132 8.947 4.711
369 HB3 MET 53 HB1 MET 53 -7.084 9.669 6.000
370 HG2 MET 53 HG2 MET 53 -9.051 8.479 5.265
371 HG3 MET 53 HG1 MET 53 -8.166 7.815 3.892
372 HE1 MET 53 HE1 MET 53 -7.306 6.734 8.297
373 HE2 MET 53 HE2 MET 53 -8.548 7.875 7.781
374 HE3 MET 53 HE3 MET 53 -6.842 8.284 7.598
375 H LYS 54 HN LYS 54 -5.434 11.148 2.731
376 HA LYS 54 HA LYS 54 -4.798 13.412 4.506
377 HB2 LYS 54 HB2 LYS 54 -2.846 11.514 3.183
378 HB3 LYS 54 HB1 LYS 54 -2.411 12.920 4.141
379 HG2 LYS 54 HG2 LYS 54 -3.386 11.909 6.122
380 HG3 LYS 54 HG1 LYS 54 -3.917 10.521 5.169
381 HD2 LYS 54 HD2 LYS 54 -1.864 10.033 6.419
382 HD3 LYS 54 HD1 LYS 54 -1.600 9.951 4.677
383 HE2 LYS 54 HE2 LYS 54 0.244 11.099 5.791
384 HE3 LYS 54 HE1 LYS 54 -0.625 12.192 4.715
385 HZ1 LYS 54 HZ1 LYS 54 -1.858 12.975 6.714
386 HZ2 LYS 54 HZ2 LYS 54 -0.209 13.335 6.732
387 HZ3 LYS 54 HZ3 LYS 54 -0.805 12.062 7.673
388 H GLU 55 HN GLU 55 -2.763 14.559 3.174
389 HA GLU 55 HA GLU 55 -3.548 14.838 0.382
390 HB2 GLU 55 HB2 GLU 55 -4.800 16.568 1.632
391 HB3 GLU 55 HB1 GLU 55 -3.283 17.190 2.264
392 HG2 GLU 55 HG2 GLU 55 -2.571 17.761 0.001
393 HG3 GLU 55 HG1 GLU 55 -4.091 17.133 -0.635
394 H SER 56 HN SER 56 -1.712 14.207 -0.538
395 HA SER 56 HA SER 56 0.834 15.241 0.483
396 HB2 SER 56 HB2 SER 56 0.562 12.760 0.172
397 HB3 SER 56 HB1 SER 56 0.367 13.044 -1.555
398 HG SER 56 HG SER 56 2.651 13.374 0.062