Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
627135 | 5xek RC | 36072 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 HN GLU 1 -13.098 2.369 1.370
2 HA GLU 1 HA GLU 1 -13.114 -0.117 -0.172
3 HB2 GLU 1 2HB GLU 1 -11.215 2.236 -0.225
4 HB3 GLU 1 3HB GLU 1 -11.089 0.820 -1.261
5 HG2 GLU 1 2HG GLU 1 -13.621 2.390 -1.235
6 HG3 GLU 1 3HG GLU 1 -12.226 3.002 -2.121
7 H GLU 2 HN GLU 2 -11.839 -1.819 0.275
8 HA GLU 2 HA GLU 2 -9.772 -1.507 2.344
9 HB2 GLU 2 2HB GLU 2 -11.651 -3.866 2.157
10 HB3 GLU 2 3HB GLU 2 -10.432 -3.580 3.390
11 HG2 GLU 2 2HG GLU 2 -12.293 -1.378 3.203
12 HG3 GLU 2 3HG GLU 2 -13.113 -2.908 3.512
13 H GLU 3 HN GLU 3 -8.843 -4.086 2.422
14 HA GLU 3 HA GLU 3 -7.404 -5.512 1.387
15 HB2 GLU 3 2HB GLU 3 -8.718 -5.023 -1.254
16 HB3 GLU 3 3HB GLU 3 -8.099 -6.523 -0.578
17 HG2 GLU 3 2HG GLU 3 -9.977 -6.812 0.794
18 HG3 GLU 3 3HG GLU 3 -10.503 -5.145 0.565
19 H CYS 4 HN CYS 4 -5.497 -5.540 0.148
20 HA CYS 4 HA CYS 4 -4.239 -3.064 -0.202
21 HB2 CYS 4 2HB CYS 4 -3.065 -5.226 0.186
22 HB3 CYS 4 3HB CYS 4 -3.459 -5.701 -1.463
23 H CYS 5 HN CYS 5 -3.834 -1.786 -1.956
24 HA CYS 5 HA CYS 5 -5.490 -2.301 -4.315
25 HB2 CYS 5 2HB CYS 5 -4.478 0.123 -2.952
26 HB3 CYS 5 3HB CYS 5 -4.542 0.205 -4.709
27 HG CYS 5 HG CYS 5 -7.322 -0.589 -4.708
28 H ILE 6 HN ILE 6 -2.888 -3.615 -3.780
29 HA ILE 6 HA ILE 6 -1.638 -2.948 -6.339
30 HB ILE 6 HB ILE 6 -0.251 -2.962 -3.679
31 HG12 ILE 6 2HG1 ILE 6 -0.160 -1.160 -6.107
32 HG13 ILE 6 3HG1 ILE 6 -0.922 -0.803 -4.561
33 HG21 ILE 6 1HG2 ILE 6 1.889 -2.954 -5.130
34 HG22 ILE 6 2HG2 ILE 6 1.114 -4.494 -4.761
35 HG23 ILE 6 3HG2 ILE 6 0.876 -3.743 -6.338
36 HD11 ILE 6 1HD1 ILE 6 1.545 -1.244 -3.691
37 HD12 ILE 6 2HD1 ILE 6 1.927 -0.733 -5.335
38 HD13 ILE 6 3HD1 ILE 6 1.009 0.331 -4.271
39 H CYS 7 HN CYS 7 -0.892 -5.079 -3.579
40 HA CYS 7 HA CYS 7 -0.694 -7.323 -5.454
41 HB2 CYS 7 2HB CYS 7 0.747 -8.364 -3.953
42 HB3 CYS 7 3HB CYS 7 1.146 -6.663 -3.734
43 H MET 8 HN MET 8 -3.009 -5.961 -3.637
44 HA MET 8 HA MET 8 -4.865 -6.679 -2.497
45 HB2 MET 8 2HB MET 8 -4.861 -8.972 -4.443
46 HB3 MET 8 3HB MET 8 -6.237 -8.099 -3.781
47 HG2 MET 8 2HG MET 8 -4.915 -6.110 -5.070
48 HG3 MET 8 3HG MET 8 -4.552 -7.495 -6.096
49 HE1 MET 8 1HE MET 8 -8.051 -4.947 -6.546
50 HE2 MET 8 2HE MET 8 -6.798 -4.725 -5.323
51 HE3 MET 8 3HE MET 8 -6.357 -4.833 -7.029
52 H ASP 9 HN ASP 9 -2.695 -7.469 -1.083
53 HA ASP 9 HA ASP 9 -2.141 -10.061 -0.535
54 HB2 ASP 9 2HB ASP 9 -1.659 -7.696 0.745
55 HB3 ASP 9 3HB ASP 9 -2.696 -8.516 1.910
56 H GLY 10 HN GLY 10 -5.142 -8.412 0.103
57 HA2 GLY 10 1HA GLY 10 -7.017 -10.153 0.096
58 HA3 GLY 10 2HA GLY 10 -6.166 -10.805 1.488
59 H ARG 11 HN ARG 11 -5.459 -8.000 2.324
60 HA ARG 11 HA ARG 11 -8.020 -6.827 2.993
61 HB2 ARG 11 2HB ARG 11 -7.678 -6.945 5.414
62 HB3 ARG 11 3HB ARG 11 -7.790 -8.553 4.714
63 HG2 ARG 11 2HG ARG 11 -5.103 -7.328 5.103
64 HG3 ARG 11 3HG ARG 11 -5.964 -7.992 6.494
65 HD2 ARG 11 2HD ARG 11 -6.217 -10.125 5.243
66 HD3 ARG 11 3HD ARG 11 -5.216 -9.446 3.961
67 HE ARG 11 HE ARG 11 -3.722 -9.172 6.236
68 HH11 ARG 11 1HH1 ARG 11 -5.239 -11.823 4.565
69 HH12 ARG 11 2HH1 ARG 11 -4.067 -12.990 5.080
70 HH21 ARG 11 1HH2 ARG 11 -2.172 -10.699 6.921
71 HH22 ARG 11 2HH2 ARG 11 -2.323 -12.349 6.422
72 H ALA 12 HN ALA 12 -7.842 -4.721 3.906
73 HA ALA 12 HA ALA 12 -5.291 -3.439 3.265
74 HB1 ALA 12 1HB ALA 12 -6.634 -1.324 3.446
75 HB2 ALA 12 2HB ALA 12 -7.137 -2.429 2.165
76 HB3 ALA 12 3HB ALA 12 -8.062 -2.336 3.664
77 H ASP 13 HN ASP 13 -3.908 -3.222 4.893
78 HA ASP 13 HA ASP 13 -4.821 -3.131 7.637
79 HB2 ASP 13 2HB ASP 13 -2.392 -3.825 6.280
80 HB3 ASP 13 3HB ASP 13 -2.042 -2.602 7.499
81 H LEU 14 HN LEU 14 -4.082 -0.898 5.183
82 HA LEU 14 HA LEU 14 -4.404 1.305 7.054
83 HB2 LEU 14 2HB LEU 14 -1.874 0.592 5.851
84 HB3 LEU 14 3HB LEU 14 -2.378 2.210 5.366
85 HG LEU 14 HG LEU 14 -2.291 1.383 8.253
86 HD11 LEU 14 1HD1 LEU 14 -0.051 2.742 6.777
87 HD12 LEU 14 2HD1 LEU 14 -0.075 1.013 7.123
88 HD13 LEU 14 3HD1 LEU 14 -0.068 2.177 8.448
89 HD21 LEU 14 1HD2 LEU 14 -1.940 4.099 7.015
90 HD22 LEU 14 2HD2 LEU 14 -2.293 3.699 8.696
91 HD23 LEU 14 3HD2 LEU 14 -3.520 3.450 7.453
92 H ILE 15 HN ILE 15 -6.316 1.877 6.105
93 HA ILE 15 HA ILE 15 -6.467 2.242 3.228
94 HB ILE 15 HB ILE 15 -8.581 2.880 5.284
95 HG12 ILE 15 2HG1 ILE 15 -9.235 0.510 3.917
96 HG13 ILE 15 3HG1 ILE 15 -7.553 0.329 4.404
97 HG21 ILE 15 1HG2 ILE 15 -8.961 3.930 3.140
98 HG22 ILE 15 2HG2 ILE 15 -8.720 2.392 2.313
99 HG23 ILE 15 3HG2 ILE 15 -10.113 2.615 3.371
100 HD11 ILE 15 1HD1 ILE 15 -8.258 0.947 6.723
101 HD12 ILE 15 2HD1 ILE 15 -9.929 0.847 6.166
102 HD13 ILE 15 3HD1 ILE 15 -8.897 -0.583 6.124
103 H LEU 16 HN LEU 16 -5.131 3.972 2.769
104 HA LEU 16 HA LEU 16 -4.878 6.357 4.130
105 HB2 LEU 16 2HB LEU 16 -4.585 5.585 1.265
106 HB3 LEU 16 3HB LEU 16 -4.490 7.288 1.709
107 HG LEU 16 HG LEU 16 -2.724 5.152 2.894
108 HD11 LEU 16 1HD1 LEU 16 -1.556 5.133 1.012
109 HD12 LEU 16 2HD1 LEU 16 -1.262 6.861 1.203
110 HD13 LEU 16 3HD1 LEU 16 -2.655 6.302 0.279
111 HD21 LEU 16 1HD2 LEU 16 -2.519 8.162 2.864
112 HD22 LEU 16 2HD2 LEU 16 -1.362 7.048 3.594
113 HD23 LEU 16 3HD2 LEU 16 -2.997 7.175 4.245
114 HA PRO 17 HA PRO 17 -8.574 8.664 3.616
115 HB2 PRO 17 2HB PRO 17 -7.624 11.186 3.293
116 HB3 PRO 17 3HB PRO 17 -7.580 10.333 4.841
117 HG2 PRO 17 2HG PRO 17 -5.404 10.702 2.819
118 HG3 PRO 17 3HG PRO 17 -5.322 10.827 4.585
119 HD2 PRO 17 2HD PRO 17 -4.494 8.628 3.241
120 HD3 PRO 17 3HD PRO 17 -5.200 8.543 4.868
121 H CYS 18 HN CYS 18 -6.542 8.080 1.083
122 HA CYS 18 HA CYS 18 -8.092 9.706 -0.812
123 HB2 CYS 18 2HB CYS 18 -5.692 10.039 -0.978
124 HB3 CYS 18 3HB CYS 18 -5.432 8.305 -1.138
125 H ALA 19 HN ALA 19 -8.211 6.750 0.519
126 HA ALA 19 HA ALA 19 -9.562 4.969 -0.041
127 HB1 ALA 19 1HB ALA 19 -10.409 6.763 -1.858
128 HB2 ALA 19 2HB ALA 19 -9.692 5.555 -2.926
129 HB3 ALA 19 3HB ALA 19 -10.967 5.091 -1.801
130 H HIS 20 HN HIS 20 -6.536 5.583 -0.782
131 HA HIS 20 HA HIS 20 -6.092 3.205 -2.444
132 HB2 HIS 20 2HB HIS 20 -4.490 5.666 -1.869
133 HB3 HIS 20 3HB HIS 20 -3.651 4.192 -2.344
134 HD2 HIS 20 2HD HIS 20 -5.854 3.284 -4.682
135 HE1 HIS 20 1HE HIS 20 -4.772 7.005 -6.409
136 HE2 HIS 20 2HE HIS 20 -5.914 4.791 -6.784
137 H SER 21 HN SER 21 -6.264 1.534 -0.998
138 HA SER 21 HA SER 21 -4.915 1.602 1.546
139 HB2 SER 21 2HB SER 21 -5.653 -1.050 0.988
140 HB3 SER 21 3HB SER 21 -6.533 0.111 1.980
141 HG SER 21 HG SER 21 -7.828 0.590 0.304
142 H PHE 22 HN PHE 22 -3.368 -0.087 2.192
143 HA PHE 22 HA PHE 22 -1.864 -1.445 0.159
144 HB2 PHE 22 2HB PHE 22 -0.503 0.793 1.672
145 HB3 PHE 22 3HB PHE 22 0.249 -0.288 0.503
146 HD1 PHE 22 1HD PHE 22 -1.730 2.696 0.984
147 HD2 PHE 22 2HD PHE 22 -0.357 -0.126 -1.892
148 HE1 PHE 22 1HE PHE 22 -2.289 4.270 -0.821
149 HE2 PHE 22 2HE PHE 22 -0.913 1.446 -3.702
150 HZ PHE 22 HZ PHE 22 -1.880 3.647 -3.168
151 H CYS 23 HN CYS 23 -1.808 -3.349 1.181
152 HA CYS 23 HA CYS 23 -1.890 -3.879 3.869
153 HB2 CYS 23 2HB CYS 23 -1.147 -6.083 3.372
154 HB3 CYS 23 3HB CYS 23 -2.041 -5.535 1.957
155 H GLN 24 HN GLN 24 -0.224 -4.677 5.343
156 HA GLN 24 HA GLN 24 1.810 -2.847 5.785
157 HB2 GLN 24 2HB GLN 24 1.260 -5.609 6.789
158 HB3 GLN 24 3HB GLN 24 2.795 -4.848 7.183
159 HG2 GLN 24 2HG GLN 24 0.498 -3.119 7.651
160 HG3 GLN 24 3HG GLN 24 0.469 -4.604 8.602
161 HE21 GLN 24 1HE2 GLN 24 1.427 -1.490 8.633
162 HE22 GLN 24 2HE2 GLN 24 2.720 -1.583 9.776
163 H LYS 25 HN LYS 25 2.129 -6.159 4.504
164 HA LYS 25 HA LYS 25 4.762 -6.407 4.060
165 HB2 LYS 25 2HB LYS 25 2.492 -7.632 3.044
166 HB3 LYS 25 3HB LYS 25 3.325 -7.057 1.605
167 HG2 LYS 25 2HG LYS 25 4.288 -8.993 3.679
168 HG3 LYS 25 3HG LYS 25 4.126 -9.224 1.936
169 HD2 LYS 25 2HD LYS 25 5.883 -7.328 1.768
170 HD3 LYS 25 3HD LYS 25 6.216 -7.709 3.459
171 HE2 LYS 25 2HE LYS 25 6.181 -9.827 1.329
172 HE3 LYS 25 3HE LYS 25 7.627 -8.879 1.674
173 HZ1 LYS 25 1HZ LYS 25 6.209 -10.771 3.446
174 HZ2 LYS 25 2HZ LYS 25 7.278 -9.616 4.065
175 HZ3 LYS 25 3HZ LYS 25 7.834 -10.785 2.975
176 H CYS 26 HN CYS 26 2.661 -4.973 1.554
177 HA CYS 26 HA CYS 26 4.729 -3.982 -0.039
178 HB2 CYS 26 2HB CYS 26 1.892 -2.980 0.280
179 HB3 CYS 26 3HB CYS 26 2.986 -2.480 -1.005
180 H ILE 27 HN ILE 27 2.877 -2.400 2.541
181 HA ILE 27 HA ILE 27 4.017 0.146 2.318
182 HB ILE 27 HB ILE 27 2.369 -1.257 4.250
183 HG12 ILE 27 2HG1 ILE 27 2.737 1.652 3.507
184 HG13 ILE 27 3HG1 ILE 27 1.543 0.542 2.842
185 HG21 ILE 27 1HG2 ILE 27 4.295 -0.965 5.713
186 HG22 ILE 27 2HG2 ILE 27 4.337 0.756 5.330
187 HG23 ILE 27 3HG2 ILE 27 2.965 0.082 6.210
188 HD11 ILE 27 1HD1 ILE 27 0.417 1.916 4.391
189 HD12 ILE 27 2HD1 ILE 27 0.607 0.342 5.165
190 HD13 ILE 27 3HD1 ILE 27 1.663 1.679 5.616
191 H ASP 28 HN ASP 28 5.325 -2.794 3.503
192 HA ASP 28 HA ASP 28 7.426 -1.454 5.022
193 HB2 ASP 28 2HB ASP 28 6.215 -4.066 5.057
194 HB3 ASP 28 3HB ASP 28 7.960 -4.220 4.864
195 H LYS 29 HN LYS 29 6.872 -2.120 1.865
196 HA LYS 29 HA LYS 29 9.710 -2.642 1.277
197 HB2 LYS 29 2HB LYS 29 7.512 -3.998 0.362
198 HB3 LYS 29 3HB LYS 29 7.794 -2.852 -0.943
199 HG2 LYS 29 2HG LYS 29 10.312 -3.857 -0.358
200 HG3 LYS 29 3HG LYS 29 9.239 -5.254 -0.249
201 HD2 LYS 29 2HD LYS 29 8.281 -4.446 -2.489
202 HD3 LYS 29 3HD LYS 29 9.724 -3.434 -2.587
203 HE2 LYS 29 2HE LYS 29 11.144 -5.389 -2.441
204 HE3 LYS 29 3HE LYS 29 9.737 -6.427 -2.216
205 HZ1 LYS 29 1HZ LYS 29 9.001 -5.937 -4.420
206 HZ2 LYS 29 2HZ LYS 29 10.618 -6.425 -4.509
207 HZ3 LYS 29 3HZ LYS 29 10.222 -4.786 -4.641
208 H TRP 30 HN TRP 30 7.135 -0.382 0.983
209 HA TRP 30 HA TRP 30 8.645 1.221 -0.956
210 HB2 TRP 30 2HB TRP 30 5.813 1.568 0.053
211 HB3 TRP 30 3HB TRP 30 6.587 2.543 -1.194
212 HD1 TRP 30 1HD TRP 30 4.248 -0.181 -0.935
213 HE1 TRP 30 1HE TRP 30 4.155 -1.582 -3.092
214 HE3 TRP 30 3HE TRP 30 8.539 1.476 -3.163
215 HZ2 TRP 30 2HZ TRP 30 5.697 -1.938 -5.429
216 HZ3 TRP 30 3HZ TRP 30 9.159 0.555 -5.359
217 HH2 TRP 30 2HH TRP 30 7.766 -1.117 -6.466
218 H SER 31 HN SER 31 9.279 3.325 -0.521
219 HA SER 31 HA SER 31 10.020 3.894 2.141
220 HB2 SER 31 2HB SER 31 10.293 5.190 -0.485
221 HB3 SER 31 3HB SER 31 10.230 6.315 0.871
222 HG SER 31 HG SER 31 12.243 4.707 0.090
223 H ASP 32 HN ASP 32 7.524 5.301 0.039
224 HA ASP 32 HA ASP 32 5.626 6.469 0.496
225 HB2 ASP 32 2HB ASP 32 4.552 5.013 1.846
226 HB3 ASP 32 3HB ASP 32 5.992 4.703 2.812
227 H ARG 33 HN ARG 33 6.029 8.588 0.352
228 HA ARG 33 HA ARG 33 6.886 9.980 2.793
229 HB2 ARG 33 2HB ARG 33 7.983 10.349 0.008
230 HB3 ARG 33 3HB ARG 33 8.150 11.576 1.257
231 HG2 ARG 33 2HG ARG 33 9.113 9.514 2.620
232 HG3 ARG 33 3HG ARG 33 9.475 8.941 0.991
233 HD2 ARG 33 2HD ARG 33 10.795 10.859 0.519
234 HD3 ARG 33 3HD ARG 33 10.237 11.681 1.974
235 HE ARG 33 HE ARG 33 11.776 10.497 3.206
236 HH11 ARG 33 1HH1 ARG 33 11.531 9.138 0.011
237 HH12 ARG 33 2HH1 ARG 33 12.910 8.107 0.201
238 HH21 ARG 33 1HH2 ARG 33 13.594 9.146 3.469
239 HH22 ARG 33 2HH2 ARG 33 14.083 8.112 2.169
240 H HIS 34 HN HIS 34 5.946 11.966 3.152
241 HA HIS 34 HA HIS 34 4.521 13.738 2.892
242 HB2 HIS 34 2HB HIS 34 5.323 13.268 0.302
243 HB3 HIS 34 3HB HIS 34 3.572 13.123 0.188
244 HD2 HIS 34 2HD HIS 34 5.779 15.828 2.078
245 HE1 HIS 34 1HE HIS 34 2.873 17.759 -0.334
246 HE2 HIS 34 2HE HIS 34 4.813 18.076 1.241
247 H ARG 35 HN ARG 35 3.785 10.930 3.605
248 HA ARG 35 HA ARG 35 1.932 9.593 3.878
249 HB2 ARG 35 2HB ARG 35 0.174 10.710 5.073
250 HB3 ARG 35 3HB ARG 35 1.703 11.445 5.537
251 HG2 ARG 35 2HG ARG 35 1.241 13.418 4.449
252 HG3 ARG 35 3HG ARG 35 0.103 12.659 3.335
253 HD2 ARG 35 2HD ARG 35 -1.324 12.230 5.440
254 HD3 ARG 35 3HD ARG 35 -0.298 13.446 6.199
255 HE ARG 35 HE ARG 35 -1.443 15.050 5.049
256 HH11 ARG 35 1HH1 ARG 35 -1.936 11.983 3.476
257 HH12 ARG 35 2HH1 ARG 35 -3.094 12.602 2.345
258 HH21 ARG 35 1HH2 ARG 35 -2.966 15.876 3.566
259 HH22 ARG 35 2HH2 ARG 35 -3.678 14.817 2.397
260 H ASN 36 HN ASN 36 2.335 10.423 1.128
261 HA ASN 36 HA ASN 36 -0.433 10.670 0.171
262 HB2 ASN 36 2HB ASN 36 0.425 11.510 -1.878
263 HB3 ASN 36 3HB ASN 36 1.345 12.313 -0.610
264 HD21 ASN 36 1HD2 ASN 36 2.361 12.306 -3.084
265 HD22 ASN 36 2HD2 ASN 36 3.716 11.237 -3.192
266 H CYS 37 HN CYS 37 -0.337 9.611 -2.287
267 HA CYS 37 HA CYS 37 0.362 6.789 -1.806
268 HB2 CYS 37 2HB CYS 37 -1.528 6.833 -3.853
269 HB3 CYS 37 3HB CYS 37 -1.811 6.381 -2.176
270 HA PRO 38 HA PRO 38 3.058 6.969 -5.279
271 HB2 PRO 38 2HB PRO 38 3.089 4.337 -5.943
272 HB3 PRO 38 3HB PRO 38 3.921 4.978 -4.522
273 HG2 PRO 38 2HG PRO 38 1.267 3.607 -4.704
274 HG3 PRO 38 3HG PRO 38 2.559 3.388 -3.510
275 HD2 PRO 38 2HD PRO 38 0.356 4.879 -3.013
276 HD3 PRO 38 3HD PRO 38 1.943 5.257 -2.312
277 H ILE 39 HN ILE 39 -0.136 5.577 -5.539
278 HA ILE 39 HA ILE 39 -0.090 5.358 -8.405
279 HB ILE 39 HB ILE 39 -2.575 5.410 -6.710
280 HG12 ILE 39 2HG1 ILE 39 -0.390 3.444 -6.734
281 HG13 ILE 39 3HG1 ILE 39 -1.664 3.698 -5.547
282 HG21 ILE 39 1HG2 ILE 39 -2.558 5.398 -9.286
283 HG22 ILE 39 2HG2 ILE 39 -2.042 3.720 -9.125
284 HG23 ILE 39 3HG2 ILE 39 -3.586 4.236 -8.447
285 HD11 ILE 39 1HD1 ILE 39 -1.647 1.967 -7.967
286 HD12 ILE 39 2HD1 ILE 39 -2.156 1.600 -6.319
287 HD13 ILE 39 3HD1 ILE 39 -3.177 2.595 -7.356
288 H CYS 40 HN CYS 40 -0.656 7.864 -6.153
289 HA CYS 40 HA CYS 40 -2.129 9.473 -8.110
290 HB2 CYS 40 2HB CYS 40 -1.706 9.663 -5.148
291 HB3 CYS 40 3HB CYS 40 -2.150 11.102 -6.059
292 H ARG 41 HN ARG 41 0.643 9.833 -5.893
293 HA ARG 41 HA ARG 41 1.651 12.222 -6.738
294 HB2 ARG 41 2HB ARG 41 3.652 11.639 -5.726
295 HB3 ARG 41 3HB ARG 41 2.521 10.540 -4.950
296 HG2 ARG 41 2HG ARG 41 4.196 9.087 -5.449
297 HG3 ARG 41 3HG ARG 41 3.238 8.951 -6.925
298 HD2 ARG 41 2HD ARG 41 5.140 9.415 -8.002
299 HD3 ARG 41 3HD ARG 41 4.882 11.076 -7.471
300 HE ARG 41 HE ARG 41 6.219 9.769 -5.423
301 HH11 ARG 41 1HH1 ARG 41 6.790 10.637 -8.746
302 HH12 ARG 41 2HH1 ARG 41 8.506 10.773 -8.551
303 HH21 ARG 41 1HH2 ARG 41 8.477 9.946 -5.154
304 HH22 ARG 41 2HH2 ARG 41 9.464 10.380 -6.509
305 H LEU 42 HN LEU 42 1.767 9.158 -8.403
306 HA LEU 42 HA LEU 42 3.582 10.187 -10.435
307 HB2 LEU 42 2HB LEU 42 4.141 8.060 -10.664
308 HB3 LEU 42 3HB LEU 42 2.969 7.638 -9.416
309 HG LEU 42 HG LEU 42 1.253 7.505 -11.291
310 HD11 LEU 42 1HD1 LEU 42 1.870 8.115 -13.328
311 HD12 LEU 42 2HD1 LEU 42 3.026 6.784 -13.355
312 HD13 LEU 42 3HD1 LEU 42 3.528 8.375 -12.785
313 HD21 LEU 42 1HD2 LEU 42 2.899 5.639 -10.179
314 HD22 LEU 42 2HD2 LEU 42 3.206 5.412 -11.901
315 HD23 LEU 42 3HD2 LEU 42 1.562 5.286 -11.274
Start of MODEL 2
1 H1 GLU 1 HN GLU 1 -15.740 -4.411 5.137
2 HA GLU 1 HA GLU 1 -13.186 -3.510 5.220
3 HB2 GLU 1 2HB GLU 1 -12.533 -5.962 4.678
4 HB3 GLU 1 3HB GLU 1 -13.487 -5.632 6.118
5 HG2 GLU 1 2HG GLU 1 -15.453 -6.444 5.142
6 HG3 GLU 1 3HG GLU 1 -14.771 -6.388 3.518
7 H GLU 2 HN GLU 2 -11.325 -3.730 3.856
8 HA GLU 2 HA GLU 2 -11.898 -3.973 0.988
9 HB2 GLU 2 2HB GLU 2 -9.925 -1.903 1.727
10 HB3 GLU 2 3HB GLU 2 -11.123 -1.912 0.440
11 HG2 GLU 2 2HG GLU 2 -11.923 -0.245 1.784
12 HG3 GLU 2 3HG GLU 2 -12.819 -1.633 2.397
13 H GLU 3 HN GLU 3 -9.745 -3.969 -0.277
14 HA GLU 3 HA GLU 3 -7.695 -5.434 1.246
15 HB2 GLU 3 2HB GLU 3 -8.389 -6.134 -1.595
16 HB3 GLU 3 3HB GLU 3 -7.475 -7.077 -0.426
17 HG2 GLU 3 2HG GLU 3 -9.316 -7.966 0.502
18 HG3 GLU 3 3HG GLU 3 -10.249 -6.480 0.336
19 H CYS 4 HN CYS 4 -5.553 -5.266 0.457
20 HA CYS 4 HA CYS 4 -4.668 -2.788 -0.267
21 HB2 CYS 4 2HB CYS 4 -3.245 -4.680 0.536
22 HB3 CYS 4 3HB CYS 4 -3.326 -5.373 -1.080
23 H CYS 5 HN CYS 5 -3.823 -1.885 -2.220
24 HA CYS 5 HA CYS 5 -5.370 -2.699 -4.567
25 HB2 CYS 5 2HB CYS 5 -5.652 -0.389 -4.018
26 HB3 CYS 5 3HB CYS 5 -3.914 -0.148 -3.870
27 HG CYS 5 HG CYS 5 -4.024 -1.111 -6.832
28 H ILE 6 HN ILE 6 -2.051 -1.941 -3.588
29 HA ILE 6 HA ILE 6 -0.876 -2.452 -6.114
30 HB ILE 6 HB ILE 6 0.437 -2.637 -3.401
31 HG12 ILE 6 2HG1 ILE 6 0.266 -0.264 -5.270
32 HG13 ILE 6 3HG1 ILE 6 -0.717 -0.463 -3.822
33 HG21 ILE 6 1HG2 ILE 6 2.505 -2.388 -4.513
34 HG22 ILE 6 2HG2 ILE 6 1.622 -3.627 -5.406
35 HG23 ILE 6 3HG2 ILE 6 1.721 -1.984 -6.039
36 HD11 ILE 6 1HD1 ILE 6 1.092 1.001 -3.317
37 HD12 ILE 6 2HD1 ILE 6 1.383 -0.531 -2.494
38 HD13 ILE 6 3HD1 ILE 6 2.268 -0.141 -3.968
39 H CYS 7 HN CYS 7 -0.865 -4.410 -3.129
40 HA CYS 7 HA CYS 7 0.135 -6.721 -4.503
41 HB2 CYS 7 2HB CYS 7 -1.119 -6.718 -1.764
42 HB3 CYS 7 3HB CYS 7 0.116 -7.800 -2.397
43 H MET 8 HN MET 8 -3.002 -5.584 -3.400
44 HA MET 8 HA MET 8 -5.091 -6.549 -3.495
45 HB2 MET 8 2HB MET 8 -4.078 -5.906 -5.998
46 HB3 MET 8 3HB MET 8 -4.740 -7.519 -6.219
47 HG2 MET 8 2HG MET 8 -6.848 -6.613 -5.098
48 HG3 MET 8 3HG MET 8 -6.152 -5.018 -5.373
49 HE1 MET 8 1HE MET 8 -8.273 -4.451 -8.376
50 HE2 MET 8 2HE MET 8 -8.417 -4.494 -6.619
51 HE3 MET 8 3HE MET 8 -7.038 -3.691 -7.372
52 H ASP 9 HN ASP 9 -3.397 -8.341 -2.278
53 HA ASP 9 HA ASP 9 -4.402 -10.903 -3.317
54 HB2 ASP 9 2HB ASP 9 -1.641 -10.257 -2.294
55 HB3 ASP 9 3HB ASP 9 -2.257 -11.907 -2.349
56 H GLY 10 HN GLY 10 -3.096 -9.216 -0.471
57 HA2 GLY 10 1HA GLY 10 -4.344 -11.151 1.308
58 HA3 GLY 10 2HA GLY 10 -3.323 -9.802 1.784
59 H ARG 11 HN ARG 11 -4.246 -7.927 2.430
60 HA ARG 11 HA ARG 11 -6.998 -7.319 1.813
61 HB2 ARG 11 2HB ARG 11 -7.843 -7.338 4.050
62 HB3 ARG 11 3HB ARG 11 -7.124 -8.913 3.744
63 HG2 ARG 11 2HG ARG 11 -6.309 -8.478 5.830
64 HG3 ARG 11 3HG ARG 11 -5.011 -7.812 4.837
65 HD2 ARG 11 2HD ARG 11 -5.448 -5.693 5.461
66 HD3 ARG 11 3HD ARG 11 -7.194 -5.943 5.446
67 HE ARG 11 HE ARG 11 -5.544 -5.954 7.714
68 HH11 ARG 11 1HH1 ARG 11 -8.154 -7.773 6.300
69 HH12 ARG 11 2HH1 ARG 11 -8.773 -8.318 7.824
70 HH21 ARG 11 1HH2 ARG 11 -6.350 -6.663 9.726
71 HH22 ARG 11 2HH2 ARG 11 -7.747 -7.686 9.772
72 H ALA 12 HN ALA 12 -7.588 -5.362 3.516
73 HA ALA 12 HA ALA 12 -5.371 -3.453 3.175
74 HB1 ALA 12 1HB ALA 12 -7.270 -2.845 1.841
75 HB2 ALA 12 2HB ALA 12 -8.347 -2.981 3.231
76 HB3 ALA 12 3HB ALA 12 -7.132 -1.703 3.179
77 H ASP 13 HN ASP 13 -4.333 -3.067 5.014
78 HA ASP 13 HA ASP 13 -5.820 -3.152 7.544
79 HB2 ASP 13 2HB ASP 13 -3.626 -4.492 7.067
80 HB3 ASP 13 3HB ASP 13 -2.833 -2.948 7.372
81 H LEU 14 HN LEU 14 -4.475 -0.990 5.316
82 HA LEU 14 HA LEU 14 -4.946 1.230 7.143
83 HB2 LEU 14 2HB LEU 14 -2.454 0.460 7.056
84 HB3 LEU 14 3HB LEU 14 -2.452 1.283 5.498
85 HG LEU 14 HG LEU 14 -3.228 2.634 8.076
86 HD11 LEU 14 1HD1 LEU 14 -0.688 1.708 7.416
87 HD12 LEU 14 2HD1 LEU 14 -1.097 2.920 8.631
88 HD13 LEU 14 3HD1 LEU 14 -0.673 3.420 6.994
89 HD21 LEU 14 1HD2 LEU 14 -2.390 4.597 6.525
90 HD22 LEU 14 2HD2 LEU 14 -4.045 3.994 6.433
91 HD23 LEU 14 3HD2 LEU 14 -2.848 3.470 5.248
92 H ILE 15 HN ILE 15 -6.260 2.588 6.137
93 HA ILE 15 HA ILE 15 -6.197 2.708 3.200
94 HB ILE 15 HB ILE 15 -8.404 3.597 5.061
95 HG12 ILE 15 2HG1 ILE 15 -9.120 1.414 3.348
96 HG13 ILE 15 3HG1 ILE 15 -7.658 0.988 4.232
97 HG21 ILE 15 1HG2 ILE 15 -8.227 3.409 2.060
98 HG22 ILE 15 2HG2 ILE 15 -9.738 3.621 2.943
99 HG23 ILE 15 3HG2 ILE 15 -8.483 4.856 3.036
100 HD11 ILE 15 1HD1 ILE 15 -8.730 0.867 6.203
101 HD12 ILE 15 2HD1 ILE 15 -9.814 2.206 5.822
102 HD13 ILE 15 3HD1 ILE 15 -10.134 0.599 5.170
103 H LEU 16 HN LEU 16 -4.728 4.266 2.724
104 HA LEU 16 HA LEU 16 -4.056 6.532 4.090
105 HB2 LEU 16 2HB LEU 16 -4.100 5.835 1.199
106 HB3 LEU 16 3HB LEU 16 -3.768 7.506 1.653
107 HG LEU 16 HG LEU 16 -2.179 5.170 2.698
108 HD11 LEU 16 1HD1 LEU 16 -1.205 4.973 0.718
109 HD12 LEU 16 2HD1 LEU 16 -0.668 6.647 0.846
110 HD13 LEU 16 3HD1 LEU 16 -2.200 6.272 0.059
111 HD21 LEU 16 1HD2 LEU 16 -0.579 6.828 3.334
112 HD22 LEU 16 2HD2 LEU 16 -2.151 7.323 3.961
113 HD23 LEU 16 3HD2 LEU 16 -1.491 8.099 2.520
114 HA PRO 17 HA PRO 17 -7.370 9.407 3.979
115 HB2 PRO 17 2HB PRO 17 -6.079 11.764 3.590
116 HB3 PRO 17 3HB PRO 17 -6.010 10.870 5.114
117 HG2 PRO 17 2HG PRO 17 -4.020 10.961 2.879
118 HG3 PRO 17 3HG PRO 17 -3.740 11.022 4.629
119 HD2 PRO 17 2HD PRO 17 -3.401 8.761 3.178
120 HD3 PRO 17 3HD PRO 17 -3.943 8.739 4.868
121 H CYS 18 HN CYS 18 -5.735 8.578 1.243
122 HA CYS 18 HA CYS 18 -7.151 10.501 -0.467
123 HB2 CYS 18 2HB CYS 18 -5.641 9.827 -2.245
124 HB3 CYS 18 3HB CYS 18 -4.710 10.264 -0.815
125 H ALA 19 HN ALA 19 -7.658 7.558 0.851
126 HA ALA 19 HA ALA 19 -9.382 6.080 0.455
127 HB1 ALA 19 1HB ALA 19 -10.081 8.083 -1.230
128 HB2 ALA 19 2HB ALA 19 -9.809 6.763 -2.369
129 HB3 ALA 19 3HB ALA 19 -10.971 6.569 -1.056
130 H HIS 20 HN HIS 20 -6.776 5.332 0.275
131 HA HIS 20 HA HIS 20 -6.917 3.214 -1.727
132 HB2 HIS 20 2HB HIS 20 -4.717 5.253 -1.527
133 HB3 HIS 20 3HB HIS 20 -4.407 3.645 -2.176
134 HD2 HIS 20 2HD HIS 20 -7.071 3.359 -4.067
135 HE1 HIS 20 1HE HIS 20 -5.681 6.956 -5.834
136 HE2 HIS 20 2HE HIS 20 -7.250 4.999 -6.058
137 H SER 21 HN SER 21 -6.556 1.342 -0.753
138 HA SER 21 HA SER 21 -5.426 1.263 1.900
139 HB2 SER 21 2HB SER 21 -5.849 -1.251 1.606
140 HB3 SER 21 3HB SER 21 -7.261 -0.195 1.592
141 HG SER 21 HG SER 21 -7.231 -1.767 -0.120
142 H PHE 22 HN PHE 22 -3.629 -0.033 2.528
143 HA PHE 22 HA PHE 22 -1.857 -1.095 0.519
144 HB2 PHE 22 2HB PHE 22 -0.973 1.288 2.163
145 HB3 PHE 22 3HB PHE 22 0.046 0.353 1.073
146 HD1 PHE 22 1HD PHE 22 -0.355 0.439 -1.368
147 HD2 PHE 22 2HD PHE 22 -2.424 2.973 1.355
148 HE1 PHE 22 1HE PHE 22 -0.990 1.916 -3.230
149 HE2 PHE 22 2HE PHE 22 -3.064 4.454 -0.503
150 HZ PHE 22 HZ PHE 22 -2.347 3.926 -2.799
151 H CYS 23 HN CYS 23 -2.092 -3.013 1.687
152 HA CYS 23 HA CYS 23 -1.924 -3.471 4.368
153 HB2 CYS 23 2HB CYS 23 -1.267 -5.713 3.873
154 HB3 CYS 23 3HB CYS 23 -2.300 -5.180 2.550
155 H GLN 24 HN GLN 24 -0.349 -3.685 5.904
156 HA GLN 24 HA GLN 24 1.857 -2.107 5.927
157 HB2 GLN 24 2HB GLN 24 0.772 -3.730 7.741
158 HB3 GLN 24 3HB GLN 24 2.140 -4.739 7.290
159 HG2 GLN 24 2HG GLN 24 2.731 -3.426 9.199
160 HG3 GLN 24 3HG GLN 24 3.650 -2.857 7.807
161 HE21 GLN 24 1HE2 GLN 24 3.956 -0.764 8.127
162 HE22 GLN 24 2HE2 GLN 24 2.727 0.388 8.508
163 H LYS 25 HN LYS 25 1.725 -5.474 4.836
164 HA LYS 25 HA LYS 25 4.270 -6.194 4.441
165 HB2 LYS 25 2HB LYS 25 2.384 -6.417 2.113
166 HB3 LYS 25 3HB LYS 25 3.589 -7.572 2.666
167 HG2 LYS 25 2HG LYS 25 0.900 -6.971 3.841
168 HG3 LYS 25 3HG LYS 25 1.532 -8.511 3.255
169 HD2 LYS 25 2HD LYS 25 3.032 -8.679 5.113
170 HD3 LYS 25 3HD LYS 25 2.647 -7.038 5.638
171 HE2 LYS 25 2HE LYS 25 1.407 -8.406 7.070
172 HE3 LYS 25 3HE LYS 25 0.239 -7.872 5.862
173 HZ1 LYS 25 1HZ LYS 25 1.570 -10.513 6.049
174 HZ2 LYS 25 2HZ LYS 25 0.715 -10.011 4.678
175 HZ3 LYS 25 3HZ LYS 25 -0.084 -10.176 6.160
176 H CYS 26 HN CYS 26 2.537 -4.405 1.883
177 HA CYS 26 HA CYS 26 4.928 -3.730 0.504
178 HB2 CYS 26 2HB CYS 26 3.409 -2.169 -0.775
179 HB3 CYS 26 3HB CYS 26 2.915 -3.859 -0.771
180 H ILE 27 HN ILE 27 2.781 -1.941 2.680
181 HA ILE 27 HA ILE 27 3.944 0.571 2.504
182 HB ILE 27 HB ILE 27 2.198 -0.797 4.387
183 HG12 ILE 27 2HG1 ILE 27 2.513 2.090 3.537
184 HG13 ILE 27 3HG1 ILE 27 1.437 0.903 2.807
185 HG21 ILE 27 1HG2 ILE 27 3.990 -0.363 5.965
186 HG22 ILE 27 2HG2 ILE 27 4.048 1.326 5.464
187 HG23 ILE 27 3HG2 ILE 27 2.622 0.700 6.291
188 HD11 ILE 27 1HD1 ILE 27 -0.049 1.967 4.140
189 HD12 ILE 27 2HD1 ILE 27 0.534 0.768 5.296
190 HD13 ILE 27 3HD1 ILE 27 1.171 2.413 5.334
191 H ASP 28 HN ASP 28 5.217 -2.307 3.839
192 HA ASP 28 HA ASP 28 7.271 -0.824 5.328
193 HB2 ASP 28 2HB ASP 28 5.817 -2.992 6.113
194 HB3 ASP 28 3HB ASP 28 7.269 -3.768 5.484
195 H LYS 29 HN LYS 29 6.774 -3.091 2.701
196 HA LYS 29 HA LYS 29 9.471 -3.770 2.244
197 HB2 LYS 29 2HB LYS 29 7.556 -5.014 1.297
198 HB3 LYS 29 3HB LYS 29 7.195 -3.644 0.255
199 HG2 LYS 29 2HG LYS 29 9.463 -3.914 -0.754
200 HG3 LYS 29 3HG LYS 29 9.636 -5.401 0.182
201 HD2 LYS 29 2HD LYS 29 7.533 -6.223 -0.904
202 HD3 LYS 29 3HD LYS 29 7.586 -4.801 -1.949
203 HE2 LYS 29 2HE LYS 29 10.147 -6.010 -2.005
204 HE3 LYS 29 3HE LYS 29 8.952 -7.286 -2.235
205 HZ1 LYS 29 1HZ LYS 29 8.189 -5.096 -3.792
206 HZ2 LYS 29 2HZ LYS 29 8.708 -6.619 -4.315
207 HZ3 LYS 29 3HZ LYS 29 9.832 -5.375 -4.086
208 H TRP 30 HN TRP 30 7.431 -1.176 0.969
209 HA TRP 30 HA TRP 30 9.365 -0.160 -0.842
210 HB2 TRP 30 2HB TRP 30 6.847 0.965 0.360
211 HB3 TRP 30 3HB TRP 30 7.881 1.946 -0.675
212 HD1 TRP 30 1HD TRP 30 5.304 -0.815 -0.791
213 HE1 TRP 30 1HE TRP 30 4.765 -1.374 -3.245
214 HE3 TRP 30 3HE TRP 30 9.008 1.873 -3.068
215 HZ2 TRP 30 2HZ TRP 30 5.776 -0.756 -5.807
216 HZ3 TRP 30 3HZ TRP 30 9.153 1.835 -5.524
217 HH2 TRP 30 2HH TRP 30 7.570 0.547 -6.864
218 H SER 31 HN SER 31 10.205 2.135 -0.643
219 HA SER 31 HA SER 31 11.159 2.612 2.105
220 HB2 SER 31 2HB SER 31 12.774 3.417 -0.291
221 HB3 SER 31 3HB SER 31 13.314 3.067 1.351
222 HG SER 31 HG SER 31 13.851 1.372 -0.065
223 H ASP 32 HN ASP 32 8.859 3.736 0.565
224 HA ASP 32 HA ASP 32 9.507 6.552 1.028
225 HB2 ASP 32 2HB ASP 32 7.738 6.296 -1.249
226 HB3 ASP 32 3HB ASP 32 9.244 7.198 -1.100
227 H ARG 33 HN ARG 33 8.151 7.142 2.583
228 HA ARG 33 HA ARG 33 5.305 6.498 2.277
229 HB2 ARG 33 2HB ARG 33 5.251 6.237 4.825
230 HB3 ARG 33 3HB ARG 33 5.916 4.905 3.889
231 HG2 ARG 33 2HG ARG 33 7.415 5.120 5.635
232 HG3 ARG 33 3HG ARG 33 8.195 6.024 4.336
233 HD2 ARG 33 2HD ARG 33 7.817 8.049 5.332
234 HD3 ARG 33 3HD ARG 33 6.373 7.487 6.172
235 HE ARG 33 HE ARG 33 7.691 6.784 7.922
236 HH11 ARG 33 1HH1 ARG 33 9.689 7.615 5.196
237 HH12 ARG 33 2HH1 ARG 33 11.170 7.540 6.092
238 HH21 ARG 33 1HH2 ARG 33 9.633 6.683 9.114
239 HH22 ARG 33 2HH2 ARG 33 11.137 7.010 8.321
240 H HIS 34 HN HIS 34 3.876 8.029 3.121
241 HA HIS 34 HA HIS 34 4.655 10.256 4.670
242 HB2 HIS 34 2HB HIS 34 4.862 10.512 1.727
243 HB3 HIS 34 3HB HIS 34 4.060 11.837 2.564
244 HD2 HIS 34 2HD HIS 34 6.500 11.031 5.099
245 HE1 HIS 34 1HE HIS 34 8.758 13.302 2.317
246 HE2 HIS 34 2HE HIS 34 8.708 12.293 4.624
247 H ARG 35 HN ARG 35 2.586 10.789 1.922
248 HA ARG 35 HA ARG 35 0.165 9.844 3.001
249 HB2 ARG 35 2HB ARG 35 -0.871 11.953 3.688
250 HB3 ARG 35 3HB ARG 35 0.530 11.582 4.685
251 HG2 ARG 35 2HG ARG 35 1.223 13.648 4.278
252 HG3 ARG 35 3HG ARG 35 1.560 13.120 2.627
253 HD2 ARG 35 2HD ARG 35 -1.161 13.624 2.624
254 HD3 ARG 35 3HD ARG 35 -0.494 14.912 3.627
255 HE ARG 35 HE ARG 35 -0.292 14.693 0.816
256 HH11 ARG 35 1HH1 ARG 35 1.540 15.630 3.625
257 HH12 ARG 35 2HH1 ARG 35 2.537 16.754 2.761
258 HH21 ARG 35 1HH2 ARG 35 1.013 16.170 -0.332
259 HH22 ARG 35 2HH2 ARG 35 2.235 17.061 0.511
260 H ASN 36 HN ASN 36 1.621 10.067 0.490
261 HA ASN 36 HA ASN 36 -0.371 11.554 -1.096
262 HB2 ASN 36 2HB ASN 36 1.360 11.813 -2.829
263 HB3 ASN 36 3HB ASN 36 1.860 12.539 -1.304
264 HD21 ASN 36 1HD2 ASN 36 3.659 11.825 -0.312
265 HD22 ASN 36 2HD2 ASN 36 4.667 10.559 -0.918
266 H CYS 37 HN CYS 37 1.630 8.649 -0.907
267 HA CYS 37 HA CYS 37 1.292 6.537 -1.691
268 HB2 CYS 37 2HB CYS 37 -0.840 5.825 -1.675
269 HB3 CYS 37 3HB CYS 37 -1.268 7.489 -1.287
270 HA PRO 38 HA PRO 38 2.623 6.840 -5.870
271 HB2 PRO 38 2HB PRO 38 2.439 4.231 -6.596
272 HB3 PRO 38 3HB PRO 38 3.701 4.842 -5.520
273 HG2 PRO 38 2HG PRO 38 1.149 3.435 -4.839
274 HG3 PRO 38 3HG PRO 38 2.770 3.199 -4.163
275 HD2 PRO 38 2HD PRO 38 0.860 4.640 -2.896
276 HD3 PRO 38 3HD PRO 38 2.589 5.021 -2.762
277 H ILE 39 HN ILE 39 -0.214 4.726 -5.408
278 HA ILE 39 HA ILE 39 -1.294 4.501 -7.834
279 HB ILE 39 HB ILE 39 -2.801 5.346 -5.359
280 HG12 ILE 39 2HG1 ILE 39 -1.650 3.259 -5.029
281 HG13 ILE 39 3HG1 ILE 39 -3.355 2.902 -5.279
282 HG21 ILE 39 1HG2 ILE 39 -3.772 4.409 -8.040
283 HG22 ILE 39 2HG2 ILE 39 -4.738 4.216 -6.578
284 HG23 ILE 39 3HG2 ILE 39 -4.271 5.829 -7.119
285 HD11 ILE 39 1HD1 ILE 39 -1.043 2.434 -7.111
286 HD12 ILE 39 2HD1 ILE 39 -2.276 1.303 -6.550
287 HD13 ILE 39 3HD1 ILE 39 -2.688 2.540 -7.737
288 H CYS 40 HN CYS 40 -2.615 7.170 -5.912
289 HA CYS 40 HA CYS 40 -3.687 8.675 -7.886
290 HB2 CYS 40 2HB CYS 40 -2.183 9.757 -5.494
291 HB3 CYS 40 3HB CYS 40 -3.353 10.654 -6.455
292 H ARG 41 HN ARG 41 -0.361 9.139 -6.678
293 HA ARG 41 HA ARG 41 0.531 11.095 -8.337
294 HB2 ARG 41 2HB ARG 41 2.528 10.591 -7.458
295 HB3 ARG 41 3HB ARG 41 1.719 9.276 -6.618
296 HG2 ARG 41 2HG ARG 41 3.513 8.230 -7.634
297 HG3 ARG 41 3HG ARG 41 2.186 7.916 -8.755
298 HD2 ARG 41 2HD ARG 41 3.090 9.188 -10.380
299 HD3 ARG 41 3HD ARG 41 3.679 10.401 -9.243
300 HE ARG 41 HE ARG 41 5.185 8.019 -9.009
301 HH11 ARG 41 1HH1 ARG 41 4.709 10.762 -11.099
302 HH12 ARG 41 2HH1 ARG 41 6.317 10.716 -11.742
303 HH21 ARG 41 1HH2 ARG 41 7.304 7.947 -9.849
304 HH22 ARG 41 2HH2 ARG 41 7.792 9.113 -11.031
305 H LEU 42 HN LEU 42 -0.022 7.733 -9.160
306 HA LEU 42 HA LEU 42 0.213 6.565 -11.117
307 HB2 LEU 42 2HB LEU 42 -1.209 9.081 -11.671
308 HB3 LEU 42 3HB LEU 42 -0.596 8.233 -13.089
309 HG LEU 42 HG LEU 42 -2.416 6.999 -11.025
310 HD11 LEU 42 1HD1 LEU 42 -3.041 8.903 -13.003
311 HD12 LEU 42 2HD1 LEU 42 -4.151 7.947 -12.022
312 HD13 LEU 42 3HD1 LEU 42 -3.619 7.343 -13.591
313 HD21 LEU 42 1HD2 LEU 42 -2.094 5.964 -13.787
314 HD22 LEU 42 2HD2 LEU 42 -2.418 5.102 -12.282
315 HD23 LEU 42 3HD2 LEU 42 -0.785 5.668 -12.642
Start of MODEL 3
1 H1 GLU 1 HN GLU 1 -13.859 -2.665 6.605
2 HA GLU 1 HA GLU 1 -11.336 -3.780 6.084
3 HB2 GLU 1 2HB GLU 1 -14.075 -5.028 5.799
4 HB3 GLU 1 3HB GLU 1 -12.558 -5.917 5.810
5 HG2 GLU 1 2HG GLU 1 -12.317 -4.545 8.111
6 HG3 GLU 1 3HG GLU 1 -14.070 -4.717 8.029
7 H GLU 2 HN GLU 2 -10.299 -3.329 4.231
8 HA GLU 2 HA GLU 2 -11.701 -3.942 1.715
9 HB2 GLU 2 2HB GLU 2 -9.482 -1.956 1.710
10 HB3 GLU 2 3HB GLU 2 -10.892 -2.066 0.665
11 HG2 GLU 2 2HG GLU 2 -10.768 -1.013 3.476
12 HG3 GLU 2 3HG GLU 2 -11.124 -0.117 1.999
13 H GLU 3 HN GLU 3 -9.512 -3.639 0.016
14 HA GLU 3 HA GLU 3 -7.559 -5.596 1.008
15 HB2 GLU 3 2HB GLU 3 -8.712 -5.725 -1.775
16 HB3 GLU 3 3HB GLU 3 -7.695 -6.912 -0.971
17 HG2 GLU 3 2HG GLU 3 -9.458 -7.956 -0.142
18 HG3 GLU 3 3HG GLU 3 -10.084 -6.462 0.553
19 H CYS 4 HN CYS 4 -5.487 -5.221 0.428
20 HA CYS 4 HA CYS 4 -4.460 -2.838 -0.193
21 HB2 CYS 4 2HB CYS 4 -3.188 -4.982 0.271
22 HB3 CYS 4 3HB CYS 4 -3.329 -5.341 -1.447
23 H CYS 5 HN CYS 5 -3.869 -1.635 -2.000
24 HA CYS 5 HA CYS 5 -5.377 -2.293 -4.435
25 HB2 CYS 5 2HB CYS 5 -5.499 -0.018 -2.996
26 HB3 CYS 5 3HB CYS 5 -4.197 0.407 -4.100
27 HG CYS 5 HG CYS 5 -5.818 -0.255 -6.390
28 H ILE 6 HN ILE 6 -2.601 -3.181 -3.542
29 HA ILE 6 HA ILE 6 -1.194 -2.337 -5.990
30 HB ILE 6 HB ILE 6 -0.061 -2.817 -3.241
31 HG12 ILE 6 2HG1 ILE 6 0.115 -0.495 -5.175
32 HG13 ILE 6 3HG1 ILE 6 -0.854 -0.548 -3.705
33 HG21 ILE 6 1HG2 ILE 6 2.173 -2.555 -4.271
34 HG22 ILE 6 2HG2 ILE 6 1.344 -4.026 -4.780
35 HG23 ILE 6 3HG2 ILE 6 1.416 -2.635 -5.863
36 HD11 ILE 6 1HD1 ILE 6 1.283 -0.835 -2.429
37 HD12 ILE 6 2HD1 ILE 6 2.139 -0.499 -3.934
38 HD13 ILE 6 3HD1 ILE 6 1.080 0.722 -3.230
39 H CYS 7 HN CYS 7 -0.848 -4.838 -3.466
40 HA CYS 7 HA CYS 7 -0.040 -6.781 -5.446
41 HB2 CYS 7 2HB CYS 7 0.186 -8.303 -3.501
42 HB3 CYS 7 3HB CYS 7 1.074 -6.797 -3.290
43 H MET 8 HN MET 8 -2.960 -5.728 -4.090
44 HA MET 8 HA MET 8 -5.086 -6.562 -4.031
45 HB2 MET 8 2HB MET 8 -3.925 -7.201 -6.659
46 HB3 MET 8 3HB MET 8 -5.358 -8.133 -6.245
47 HG2 MET 8 2HG MET 8 -6.730 -6.322 -6.300
48 HG3 MET 8 3HG MET 8 -5.455 -5.203 -5.826
49 HE1 MET 8 1HE MET 8 -7.396 -6.970 -8.335
50 HE2 MET 8 2HE MET 8 -6.950 -6.290 -9.901
51 HE3 MET 8 3HE MET 8 -6.029 -7.636 -9.229
52 H ASP 9 HN ASP 9 -2.899 -8.231 -2.820
53 HA ASP 9 HA ASP 9 -4.415 -10.751 -2.722
54 HB2 ASP 9 2HB ASP 9 -2.012 -10.641 -3.910
55 HB3 ASP 9 3HB ASP 9 -1.486 -10.867 -2.245
56 H GLY 10 HN GLY 10 -5.043 -8.848 -0.953
57 HA2 GLY 10 1HA GLY 10 -4.752 -10.026 1.529
58 HA3 GLY 10 2HA GLY 10 -3.450 -8.852 1.411
59 H ARG 11 HN ARG 11 -5.491 -8.713 3.329
60 HA ARG 11 HA ARG 11 -7.593 -6.978 2.576
61 HB2 ARG 11 2HB ARG 11 -6.418 -7.927 5.137
62 HB3 ARG 11 3HB ARG 11 -7.400 -6.469 5.195
63 HG2 ARG 11 2HG ARG 11 -9.245 -7.685 5.175
64 HG3 ARG 11 3HG ARG 11 -8.769 -8.426 3.646
65 HD2 ARG 11 2HD ARG 11 -8.027 -10.310 4.641
66 HD3 ARG 11 3HD ARG 11 -7.381 -9.444 6.033
67 HE ARG 11 HE ARG 11 -10.007 -9.252 6.465
68 HH11 ARG 11 1HH1 ARG 11 -8.026 -11.971 5.569
69 HH12 ARG 11 2HH1 ARG 11 -9.035 -13.134 6.362
70 HH21 ARG 11 1HH2 ARG 11 -11.343 -10.773 7.514
71 HH22 ARG 11 2HH2 ARG 11 -10.923 -12.452 7.468
72 H ALA 12 HN ALA 12 -7.716 -4.831 4.088
73 HA ALA 12 HA ALA 12 -5.347 -3.247 3.335
74 HB1 ALA 12 1HB ALA 12 -7.047 -2.374 2.036
75 HB2 ALA 12 2HB ALA 12 -8.266 -2.603 3.291
76 HB3 ALA 12 3HB ALA 12 -7.073 -1.313 3.446
77 H ASP 13 HN ASP 13 -4.318 -3.676 5.343
78 HA ASP 13 HA ASP 13 -5.525 -3.113 7.848
79 HB2 ASP 13 2HB ASP 13 -3.434 -4.545 7.331
80 HB3 ASP 13 3HB ASP 13 -2.559 -3.016 7.360
81 H LEU 14 HN LEU 14 -4.116 -1.138 5.424
82 HA LEU 14 HA LEU 14 -4.327 1.184 7.216
83 HB2 LEU 14 2HB LEU 14 -1.985 0.194 5.956
84 HB3 LEU 14 3HB LEU 14 -2.414 1.717 5.179
85 HG LEU 14 HG LEU 14 -0.807 2.056 6.980
86 HD11 LEU 14 1HD1 LEU 14 -3.465 3.133 7.878
87 HD12 LEU 14 2HD1 LEU 14 -2.639 3.721 6.435
88 HD13 LEU 14 3HD1 LEU 14 -1.873 3.881 8.015
89 HD21 LEU 14 1HD2 LEU 14 -2.947 0.852 8.733
90 HD22 LEU 14 2HD2 LEU 14 -1.505 1.681 9.323
91 HD23 LEU 14 3HD2 LEU 14 -1.348 0.183 8.402
92 H ILE 15 HN ILE 15 -5.995 2.339 6.515
93 HA ILE 15 HA ILE 15 -6.464 2.536 3.617
94 HB ILE 15 HB ILE 15 -8.402 3.158 5.846
95 HG12 ILE 15 2HG1 ILE 15 -8.920 0.854 4.092
96 HG13 ILE 15 3HG1 ILE 15 -7.526 0.660 5.148
97 HG21 ILE 15 1HG2 ILE 15 -9.972 3.647 4.264
98 HG22 ILE 15 2HG2 ILE 15 -8.524 4.181 3.414
99 HG23 ILE 15 3HG2 ILE 15 -9.231 2.608 3.047
100 HD11 ILE 15 1HD1 ILE 15 -9.209 -0.201 6.438
101 HD12 ILE 15 2HD1 ILE 15 -9.175 1.474 6.994
102 HD13 ILE 15 3HD1 ILE 15 -10.404 0.952 5.841
103 H LEU 16 HN LEU 16 -4.994 4.205 3.206
104 HA LEU 16 HA LEU 16 -4.647 6.554 4.611
105 HB2 LEU 16 2HB LEU 16 -4.362 5.811 1.738
106 HB3 LEU 16 3HB LEU 16 -4.204 7.504 2.204
107 HG LEU 16 HG LEU 16 -2.539 5.311 3.422
108 HD11 LEU 16 1HD1 LEU 16 -0.838 6.638 1.795
109 HD12 LEU 16 2HD1 LEU 16 -2.305 6.653 0.817
110 HD13 LEU 16 3HD1 LEU 16 -1.633 5.121 1.375
111 HD21 LEU 16 1HD2 LEU 16 -2.761 7.443 4.662
112 HD22 LEU 16 2HD2 LEU 16 -2.113 8.293 3.259
113 HD23 LEU 16 3HD2 LEU 16 -1.113 7.122 4.121
114 HA PRO 17 HA PRO 17 -8.230 9.034 4.099
115 HB2 PRO 17 2HB PRO 17 -7.170 11.513 3.786
116 HB3 PRO 17 3HB PRO 17 -7.163 10.654 5.331
117 HG2 PRO 17 2HG PRO 17 -4.973 10.933 3.309
118 HG3 PRO 17 3HG PRO 17 -4.886 11.048 5.076
119 HD2 PRO 17 2HD PRO 17 -4.155 8.819 3.723
120 HD3 PRO 17 3HD PRO 17 -4.864 8.760 5.350
121 H CYS 18 HN CYS 18 -6.211 8.386 1.564
122 HA CYS 18 HA CYS 18 -7.642 10.114 -0.327
123 HB2 CYS 18 2HB CYS 18 -5.216 10.194 -0.501
124 HB3 CYS 18 3HB CYS 18 -5.145 8.443 -0.675
125 H ALA 19 HN ALA 19 -7.917 7.112 0.985
126 HA ALA 19 HA ALA 19 -9.409 5.438 0.467
127 HB1 ALA 19 1HB ALA 19 -10.985 5.832 -1.063
128 HB2 ALA 19 2HB ALA 19 -10.192 7.392 -1.293
129 HB3 ALA 19 3HB ALA 19 -9.805 6.041 -2.357
130 H HIS 20 HN HIS 20 -6.451 5.616 -0.121
131 HA HIS 20 HA HIS 20 -6.294 3.392 -2.049
132 HB2 HIS 20 2HB HIS 20 -4.448 5.684 -1.491
133 HB3 HIS 20 3HB HIS 20 -3.794 4.176 -2.120
134 HD2 HIS 20 2HD HIS 20 -6.057 3.524 -4.380
135 HE1 HIS 20 1HE HIS 20 -5.133 7.397 -5.845
136 HE2 HIS 20 2HE HIS 20 -6.263 5.201 -6.339
137 H SER 21 HN SER 21 -6.512 1.694 -0.635
138 HA SER 21 HA SER 21 -5.224 1.510 1.871
139 HB2 SER 21 2HB SER 21 -5.650 -1.071 1.327
140 HB3 SER 21 3HB SER 21 -6.963 0.018 1.776
141 HG SER 21 HG SER 21 -7.796 -0.337 -0.107
142 H PHE 22 HN PHE 22 -3.571 -0.100 2.458
143 HA PHE 22 HA PHE 22 -1.786 -1.074 0.436
144 HB2 PHE 22 2HB PHE 22 -0.868 1.191 2.220
145 HB3 PHE 22 3HB PHE 22 0.185 0.229 1.187
146 HD1 PHE 22 1HD PHE 22 -0.328 0.234 -1.328
147 HD2 PHE 22 2HD PHE 22 -1.874 3.109 1.402
148 HE1 PHE 22 1HE PHE 22 -0.751 1.777 -3.198
149 HE2 PHE 22 2HE PHE 22 -2.302 4.656 -0.462
150 HZ PHE 22 HZ PHE 22 -1.740 3.990 -2.767
151 H CYS 23 HN CYS 23 -2.022 -3.060 1.415
152 HA CYS 23 HA CYS 23 -2.018 -3.729 4.062
153 HB2 CYS 23 2HB CYS 23 -1.410 -5.932 3.428
154 HB3 CYS 23 3HB CYS 23 -2.285 -5.266 2.053
155 H GLN 24 HN GLN 24 -0.483 -4.265 5.613
156 HA GLN 24 HA GLN 24 1.669 -2.678 6.011
157 HB2 GLN 24 2HB GLN 24 0.938 -5.385 6.970
158 HB3 GLN 24 3HB GLN 24 2.605 -4.891 7.227
159 HG2 GLN 24 2HG GLN 24 0.699 -2.830 7.973
160 HG3 GLN 24 3HG GLN 24 0.470 -4.334 8.864
161 HE21 GLN 24 1HE2 GLN 24 3.178 -2.332 7.731
162 HE22 GLN 24 2HE2 GLN 24 4.055 -2.377 9.219
163 H LYS 25 HN LYS 25 1.993 -6.013 4.779
164 HA LYS 25 HA LYS 25 4.586 -6.230 4.213
165 HB2 LYS 25 2HB LYS 25 2.157 -7.197 2.904
166 HB3 LYS 25 3HB LYS 25 3.537 -7.114 1.817
167 HG2 LYS 25 2HG LYS 25 3.671 -8.471 4.492
168 HG3 LYS 25 3HG LYS 25 3.166 -9.305 3.021
169 HD2 LYS 25 2HD LYS 25 5.641 -7.782 2.714
170 HD3 LYS 25 3HD LYS 25 5.749 -9.070 3.916
171 HE2 LYS 25 2HE LYS 25 5.333 -10.730 2.363
172 HE3 LYS 25 3HE LYS 25 4.522 -9.629 1.250
173 HZ1 LYS 25 1HZ LYS 25 6.470 -8.956 0.349
174 HZ2 LYS 25 2HZ LYS 25 6.973 -10.494 0.846
175 HZ3 LYS 25 3HZ LYS 25 7.347 -9.136 1.784
176 H CYS 26 HN CYS 26 2.356 -4.746 1.853
177 HA CYS 26 HA CYS 26 4.319 -3.809 0.105
178 HB2 CYS 26 2HB CYS 26 1.477 -3.028 0.652
179 HB3 CYS 26 3HB CYS 26 2.450 -2.052 -0.443
180 H ILE 27 HN ILE 27 2.798 -2.240 2.891
181 HA ILE 27 HA ILE 27 3.929 0.295 2.607
182 HB ILE 27 HB ILE 27 2.536 -1.155 4.687
183 HG12 ILE 27 2HG1 ILE 27 2.890 1.814 4.230
184 HG13 ILE 27 3HG1 ILE 27 1.719 0.812 3.380
185 HG21 ILE 27 1HG2 ILE 27 4.795 0.650 5.528
186 HG22 ILE 27 2HG2 ILE 27 3.443 0.223 6.575
187 HG23 ILE 27 3HG2 ILE 27 4.530 -1.033 5.984
188 HD11 ILE 27 1HD1 ILE 27 0.428 1.716 5.035
189 HD12 ILE 27 2HD1 ILE 27 0.933 0.207 5.794
190 HD13 ILE 27 3HD1 ILE 27 1.740 1.718 6.213
191 H ASP 28 HN ASP 28 5.300 -2.688 3.740
192 HA ASP 28 HA ASP 28 7.488 -1.663 5.186
193 HB2 ASP 28 2HB ASP 28 6.566 -4.105 4.969
194 HB3 ASP 28 3HB ASP 28 7.693 -4.210 3.619
195 H LYS 29 HN LYS 29 7.029 -2.362 1.763
196 HA LYS 29 HA LYS 29 9.755 -1.845 1.052
197 HB2 LYS 29 2HB LYS 29 7.333 -1.860 -0.754
198 HB3 LYS 29 3HB LYS 29 9.014 -2.057 -1.236
199 HG2 LYS 29 2HG LYS 29 9.025 -4.139 0.222
200 HG3 LYS 29 3HG LYS 29 7.267 -3.980 0.264
201 HD2 LYS 29 2HD LYS 29 7.588 -3.787 -2.357
202 HD3 LYS 29 3HD LYS 29 9.063 -4.686 -1.999
203 HE2 LYS 29 2HE LYS 29 6.324 -5.528 -1.070
204 HE3 LYS 29 3HE LYS 29 7.062 -6.093 -2.569
205 HZ1 LYS 29 1HZ LYS 29 8.921 -6.956 -1.228
206 HZ2 LYS 29 2HZ LYS 29 7.447 -7.689 -0.845
207 HZ3 LYS 29 3HZ LYS 29 8.097 -6.512 0.182
208 H TRP 30 HN TRP 30 6.749 -0.108 0.219
209 HA TRP 30 HA TRP 30 8.288 2.304 -0.299
210 HB2 TRP 30 2HB TRP 30 6.302 3.195 -1.269
211 HB3 TRP 30 3HB TRP 30 6.394 1.512 -1.782
212 HD1 TRP 30 1HD TRP 30 4.451 -0.090 -1.052
213 HE1 TRP 30 1HE TRP 30 2.206 0.277 0.151
214 HE3 TRP 30 3HE TRP 30 5.196 4.685 0.619
215 HZ2 TRP 30 2HZ TRP 30 0.920 2.319 1.616
216 HZ3 TRP 30 3HZ TRP 30 3.409 5.772 1.914
217 HH2 TRP 30 2HH TRP 30 1.316 4.613 2.400
218 H SER 31 HN SER 31 8.674 3.759 1.222
219 HA SER 31 HA SER 31 6.633 4.402 3.189
220 HB2 SER 31 2HB SER 31 7.991 2.578 4.219
221 HB3 SER 31 3HB SER 31 9.419 3.602 4.063
222 HG SER 31 HG SER 31 8.431 3.742 6.141
223 H ASP 32 HN ASP 32 6.441 6.498 2.677
224 HA ASP 32 HA ASP 32 8.817 8.185 2.985
225 HB2 ASP 32 2HB ASP 32 6.861 8.373 0.684
226 HB3 ASP 32 3HB ASP 32 8.123 9.552 1.033
227 H ARG 33 HN ARG 33 7.814 8.557 5.072
228 HA ARG 33 HA ARG 33 5.336 9.439 5.693
229 HB2 ARG 33 2HB ARG 33 8.035 10.063 6.748
230 HB3 ARG 33 3HB ARG 33 6.735 11.138 7.243
231 HG2 ARG 33 2HG ARG 33 5.483 8.956 7.845
232 HG3 ARG 33 3HG ARG 33 7.088 8.224 7.794
233 HD2 ARG 33 2HD ARG 33 7.836 9.410 9.613
234 HD3 ARG 33 3HD ARG 33 6.706 10.737 9.346
235 HE ARG 33 HE ARG 33 5.223 8.469 10.010
236 HH11 ARG 33 1HH1 ARG 33 7.545 10.613 11.470
237 HH12 ARG 33 2HH1 ARG 33 6.939 10.388 13.077
238 HH21 ARG 33 1HH2 ARG 33 4.414 8.165 12.121
239 HH22 ARG 33 2HH2 ARG 33 5.158 8.994 13.446
240 H HIS 34 HN HIS 34 4.257 10.637 4.177
241 HA HIS 34 HA HIS 34 4.981 13.457 4.047
242 HB2 HIS 34 2HB HIS 34 5.008 11.590 1.743
243 HB3 HIS 34 3HB HIS 34 4.254 13.158 1.471
244 HD2 HIS 34 2HD HIS 34 7.754 11.599 1.781
245 HE1 HIS 34 1HE HIS 34 8.256 15.801 1.489
246 HE2 HIS 34 2HE HIS 34 9.395 13.557 1.379
247 H ARG 35 HN ARG 35 2.713 11.576 2.081
248 HA ARG 35 HA ARG 35 0.400 11.731 3.487
249 HB2 ARG 35 2HB ARG 35 1.242 14.386 2.590
250 HB3 ARG 35 3HB ARG 35 -0.390 13.968 2.085
251 HG2 ARG 35 2HG ARG 35 -0.028 13.251 4.830
252 HG3 ARG 35 3HG ARG 35 0.456 14.930 4.581
253 HD2 ARG 35 2HD ARG 35 -1.707 15.323 3.424
254 HD3 ARG 35 3HD ARG 35 -2.184 13.676 3.838
255 HE ARG 35 HE ARG 35 -1.511 14.796 6.227
256 HH11 ARG 35 1HH1 ARG 35 -3.703 15.644 3.660
257 HH12 ARG 35 2HH1 ARG 35 -4.830 16.440 4.709
258 HH21 ARG 35 1HH2 ARG 35 -2.987 15.840 7.619
259 HH22 ARG 35 2HH2 ARG 35 -4.422 16.551 6.960
260 H ASN 36 HN ASN 36 2.016 12.027 0.451
261 HA ASN 36 HA ASN 36 -0.326 11.442 -1.136
262 HB2 ASN 36 2HB ASN 36 1.477 11.181 -2.970
263 HB3 ASN 36 3HB ASN 36 1.218 12.782 -2.284
264 HD21 ASN 36 1HD2 ASN 36 3.401 10.175 -2.698
265 HD22 ASN 36 2HD2 ASN 36 4.762 10.897 -1.916
266 H CYS 37 HN CYS 37 -0.200 9.580 -2.725
267 HA CYS 37 HA CYS 37 0.826 7.181 -1.350
268 HB2 CYS 37 2HB CYS 37 -1.294 6.533 -3.167
269 HB3 CYS 37 3HB CYS 37 -1.224 6.293 -1.425
270 HA PRO 38 HA PRO 38 3.095 6.102 -4.948
271 HB2 PRO 38 2HB PRO 38 2.894 3.395 -4.930
272 HB3 PRO 38 3HB PRO 38 3.884 4.292 -3.772
273 HG2 PRO 38 2HG PRO 38 1.137 3.150 -3.434
274 HG3 PRO 38 3HG PRO 38 2.507 3.120 -2.309
275 HD2 PRO 38 2HD PRO 38 0.457 4.871 -2.062
276 HD3 PRO 38 3HD PRO 38 2.119 5.273 -1.581
277 H ILE 39 HN ILE 39 -0.173 4.863 -4.640
278 HA ILE 39 HA ILE 39 -0.376 4.003 -7.370
279 HB ILE 39 HB ILE 39 -2.413 4.384 -5.186
280 HG12 ILE 39 2HG1 ILE 39 -0.665 2.363 -5.587
281 HG13 ILE 39 3HG1 ILE 39 -2.249 2.142 -4.853
282 HG21 ILE 39 1HG2 ILE 39 -3.725 4.890 -7.024
283 HG22 ILE 39 2HG2 ILE 39 -2.826 3.815 -8.092
284 HG23 ILE 39 3HG2 ILE 39 -3.926 3.144 -6.888
285 HD11 ILE 39 1HD1 ILE 39 -3.122 1.145 -6.720
286 HD12 ILE 39 2HD1 ILE 39 -1.977 1.928 -7.808
287 HD13 ILE 39 3HD1 ILE 39 -1.449 0.591 -6.785
288 H CYS 40 HN CYS 40 -0.622 6.995 -5.753
289 HA CYS 40 HA CYS 40 -2.366 8.226 -7.712
290 HB2 CYS 40 2HB CYS 40 -1.164 8.992 -5.131
291 HB3 CYS 40 3HB CYS 40 -1.316 10.306 -6.293
292 H ARG 41 HN ARG 41 0.904 7.477 -7.493
293 HA ARG 41 HA ARG 41 2.163 9.682 -8.652
294 HB2 ARG 41 2HB ARG 41 2.760 6.765 -8.488
295 HB3 ARG 41 3HB ARG 41 3.697 7.739 -9.614
296 HG2 ARG 41 2HG ARG 41 3.994 9.291 -7.514
297 HG3 ARG 41 3HG ARG 41 3.639 7.798 -6.644
298 HD2 ARG 41 2HD ARG 41 5.468 7.054 -8.600
299 HD3 ARG 41 3HD ARG 41 6.052 8.613 -8.019
300 HE ARG 41 HE ARG 41 6.590 7.629 -6.020
301 HH11 ARG 41 1HH1 ARG 41 4.502 5.505 -7.821
302 HH12 ARG 41 2HH1 ARG 41 4.701 4.173 -6.731
303 HH21 ARG 41 1HH2 ARG 41 6.861 5.883 -4.578
304 HH22 ARG 41 2HH2 ARG 41 6.043 4.389 -4.887
305 H LEU 42 HN LEU 42 0.464 6.966 -10.130
306 HA LEU 42 HA LEU 42 0.521 8.423 -12.685
307 HB2 LEU 42 2HB LEU 42 0.366 5.987 -13.649
308 HB3 LEU 42 3HB LEU 42 1.921 6.722 -13.265
309 HG LEU 42 HG LEU 42 0.712 5.173 -11.079
310 HD11 LEU 42 1HD1 LEU 42 1.088 3.026 -11.982
311 HD12 LEU 42 2HD1 LEU 42 1.841 3.686 -13.434
312 HD13 LEU 42 3HD1 LEU 42 0.109 3.888 -13.169
313 HD21 LEU 42 1HD2 LEU 42 3.383 4.525 -12.075
314 HD22 LEU 42 2HD2 LEU 42 2.852 4.971 -10.453
315 HD23 LEU 42 3HD2 LEU 42 3.165 6.224 -11.654
Start of MODEL 4
1 H1 GLU 1 HN GLU 1 -14.295 -7.314 3.316
2 HA GLU 1 HA GLU 1 -13.511 -4.728 4.485
3 HB2 GLU 1 2HB GLU 1 -12.150 -7.423 4.600
4 HB3 GLU 1 3HB GLU 1 -11.434 -5.934 5.201
5 HG2 GLU 1 2HG GLU 1 -13.371 -5.695 6.740
6 HG3 GLU 1 3HG GLU 1 -13.927 -7.282 6.208
7 H GLU 2 HN GLU 2 -12.006 -3.472 3.497
8 HA GLU 2 HA GLU 2 -11.577 -3.752 0.739
9 HB2 GLU 2 2HB GLU 2 -9.673 -1.999 1.321
10 HB3 GLU 2 3HB GLU 2 -11.376 -1.560 1.360
11 HG2 GLU 2 2HG GLU 2 -10.328 -2.634 3.878
12 HG3 GLU 2 3HG GLU 2 -9.613 -1.107 3.364
13 H GLU 3 HN GLU 3 -9.397 -3.795 -0.314
14 HA GLU 3 HA GLU 3 -7.494 -5.526 1.098
15 HB2 GLU 3 2HB GLU 3 -8.279 -5.998 -1.775
16 HB3 GLU 3 3HB GLU 3 -7.291 -7.024 -0.745
17 HG2 GLU 3 2HG GLU 3 -9.487 -7.089 0.710
18 HG3 GLU 3 3HG GLU 3 -10.239 -6.699 -0.836
19 H CYS 4 HN CYS 4 -5.337 -5.381 0.383
20 HA CYS 4 HA CYS 4 -4.246 -2.984 -0.103
21 HB2 CYS 4 2HB CYS 4 -3.012 -5.147 0.282
22 HB3 CYS 4 3HB CYS 4 -3.190 -5.480 -1.437
23 H CYS 5 HN CYS 5 -4.077 -1.535 -1.703
24 HA CYS 5 HA CYS 5 -5.600 -1.905 -4.097
25 HB2 CYS 5 2HB CYS 5 -4.251 0.301 -2.730
26 HB3 CYS 5 3HB CYS 5 -4.109 0.391 -4.481
27 HG CYS 5 HG CYS 5 -6.247 1.998 -3.669
28 H ILE 6 HN ILE 6 -2.452 -2.692 -3.208
29 HA ILE 6 HA ILE 6 -1.456 -2.557 -5.964
30 HB ILE 6 HB ILE 6 0.080 -3.229 -3.453
31 HG12 ILE 6 2HG1 ILE 6 -0.414 -0.634 -4.886
32 HG13 ILE 6 3HG1 ILE 6 -0.517 -0.981 -3.163
33 HG21 ILE 6 1HG2 ILE 6 1.473 -2.211 -5.827
34 HG22 ILE 6 2HG2 ILE 6 1.912 -3.511 -4.721
35 HG23 ILE 6 3HG2 ILE 6 0.752 -3.808 -6.015
36 HD11 ILE 6 1HD1 ILE 6 2.103 -1.479 -3.648
37 HD12 ILE 6 2HD1 ILE 6 1.772 -0.176 -4.790
38 HD13 ILE 6 3HD1 ILE 6 1.456 0.056 -3.072
39 H CYS 7 HN CYS 7 -0.954 -4.857 -3.290
40 HA CYS 7 HA CYS 7 -1.016 -7.050 -5.214
41 HB2 CYS 7 2HB CYS 7 -0.055 -8.406 -3.471
42 HB3 CYS 7 3HB CYS 7 0.821 -6.880 -3.526
43 H MET 8 HN MET 8 -3.468 -6.186 -5.193
44 HA MET 8 HA MET 8 -5.264 -6.835 -3.223
45 HB2 MET 8 2HB MET 8 -6.897 -7.246 -5.118
46 HB3 MET 8 3HB MET 8 -6.069 -5.694 -5.137
47 HG2 MET 8 2HG MET 8 -4.933 -6.164 -7.028
48 HG3 MET 8 3HG MET 8 -4.792 -7.879 -6.649
49 HE1 MET 8 1HE MET 8 -5.703 -6.004 -9.382
50 HE2 MET 8 2HE MET 8 -7.433 -6.110 -9.709
51 HE3 MET 8 3HE MET 8 -6.844 -5.089 -8.396
52 H ASP 9 HN ASP 9 -4.696 -8.700 -2.107
53 HA ASP 9 HA ASP 9 -5.562 -11.173 -3.385
54 HB2 ASP 9 2HB ASP 9 -3.017 -10.896 -3.601
55 HB3 ASP 9 3HB ASP 9 -2.966 -11.141 -1.857
56 H GLY 10 HN GLY 10 -4.276 -9.714 -0.403
57 HA2 GLY 10 1HA GLY 10 -5.957 -11.544 1.163
58 HA3 GLY 10 2HA GLY 10 -4.617 -10.595 1.789
59 H ARG 11 HN ARG 11 -5.029 -8.679 2.723
60 HA ARG 11 HA ARG 11 -7.576 -7.347 2.216
61 HB2 ARG 11 2HB ARG 11 -8.059 -7.130 4.616
62 HB3 ARG 11 3HB ARG 11 -8.047 -8.813 4.107
63 HG2 ARG 11 2HG ARG 11 -5.604 -7.558 5.293
64 HG3 ARG 11 3HG ARG 11 -6.904 -8.170 6.319
65 HD2 ARG 11 2HD ARG 11 -6.690 -10.338 4.977
66 HD3 ARG 11 3HD ARG 11 -5.160 -9.681 4.396
67 HE ARG 11 HE ARG 11 -5.659 -10.833 6.945
68 HH11 ARG 11 1HH1 ARG 11 -3.829 -8.347 5.334
69 HH12 ARG 11 2HH1 ARG 11 -2.552 -8.346 6.505
70 HH21 ARG 11 1HH2 ARG 11 -3.984 -10.841 8.493
71 HH22 ARG 11 2HH2 ARG 11 -2.641 -9.765 8.301
72 H ALA 12 HN ALA 12 -7.634 -5.230 3.577
73 HA ALA 12 HA ALA 12 -5.036 -3.926 3.187
74 HB1 ALA 12 1HB ALA 12 -6.449 -1.813 3.382
75 HB2 ALA 12 2HB ALA 12 -6.689 -2.814 1.950
76 HB3 ALA 12 3HB ALA 12 -7.850 -2.880 3.277
77 H ASP 13 HN ASP 13 -3.819 -3.736 4.943
78 HA ASP 13 HA ASP 13 -4.969 -3.801 7.590
79 HB2 ASP 13 2HB ASP 13 -2.562 -4.611 6.555
80 HB3 ASP 13 3HB ASP 13 -2.122 -3.109 7.362
81 H LEU 14 HN LEU 14 -4.418 -1.412 5.327
82 HA LEU 14 HA LEU 14 -4.953 0.666 7.247
83 HB2 LEU 14 2HB LEU 14 -2.285 0.126 6.615
84 HB3 LEU 14 3HB LEU 14 -2.707 1.551 5.668
85 HG LEU 14 HG LEU 14 -3.545 1.725 8.462
86 HD11 LEU 14 1HD1 LEU 14 -0.953 2.322 8.882
87 HD12 LEU 14 2HD1 LEU 14 -0.785 0.944 7.796
88 HD13 LEU 14 3HD1 LEU 14 -1.686 0.773 9.302
89 HD21 LEU 14 1HD2 LEU 14 -2.231 3.896 8.178
90 HD22 LEU 14 2HD2 LEU 14 -3.662 3.676 7.170
91 HD23 LEU 14 3HD2 LEU 14 -2.055 3.427 6.486
92 H ILE 15 HN ILE 15 -5.756 2.552 6.306
93 HA ILE 15 HA ILE 15 -6.068 2.498 3.378
94 HB ILE 15 HB ILE 15 -8.223 3.316 5.329
95 HG12 ILE 15 2HG1 ILE 15 -9.312 1.227 4.098
96 HG13 ILE 15 3HG1 ILE 15 -7.626 0.747 3.932
97 HG21 ILE 15 1HG2 ILE 15 -9.302 2.818 2.806
98 HG22 ILE 15 2HG2 ILE 15 -9.081 4.386 3.580
99 HG23 ILE 15 3HG2 ILE 15 -7.835 3.749 2.507
100 HD11 ILE 15 1HD1 ILE 15 -8.863 1.483 6.567
101 HD12 ILE 15 2HD1 ILE 15 -8.839 -0.163 5.931
102 HD13 ILE 15 3HD1 ILE 15 -7.324 0.674 6.273
103 H LEU 16 HN LEU 16 -4.380 4.027 3.214
104 HA LEU 16 HA LEU 16 -3.918 6.334 4.532
105 HB2 LEU 16 2HB LEU 16 -3.779 5.702 1.611
106 HB3 LEU 16 3HB LEU 16 -3.365 7.313 2.195
107 HG LEU 16 HG LEU 16 -2.011 4.768 3.084
108 HD11 LEU 16 1HD1 LEU 16 -0.291 6.488 1.634
109 HD12 LEU 16 2HD1 LEU 16 -1.737 6.221 0.660
110 HD13 LEU 16 3HD1 LEU 16 -0.795 4.845 1.236
111 HD21 LEU 16 1HD2 LEU 16 -1.912 6.519 4.752
112 HD22 LEU 16 2HD2 LEU 16 -1.364 7.679 3.541
113 HD23 LEU 16 3HD2 LEU 16 -0.332 6.321 3.995
114 HA PRO 17 HA PRO 17 -7.297 9.107 4.141
115 HB2 PRO 17 2HB PRO 17 -6.033 11.500 3.930
116 HB3 PRO 17 3HB PRO 17 -6.101 10.580 5.438
117 HG2 PRO 17 2HG PRO 17 -3.891 10.760 3.426
118 HG3 PRO 17 3HG PRO 17 -3.798 10.793 5.196
119 HD2 PRO 17 2HD PRO 17 -3.253 8.570 3.750
120 HD3 PRO 17 3HD PRO 17 -3.967 8.502 5.374
121 H CYS 18 HN CYS 18 -5.367 8.370 1.577
122 HA CYS 18 HA CYS 18 -6.630 10.300 -0.239
123 HB2 CYS 18 2HB CYS 18 -4.222 10.197 -0.451
124 HB3 CYS 18 3HB CYS 18 -4.273 8.446 -0.627
125 H ALA 19 HN ALA 19 -7.212 7.313 0.968
126 HA ALA 19 HA ALA 19 -8.830 5.789 0.388
127 HB1 ALA 19 1HB ALA 19 -9.599 7.835 -1.125
128 HB2 ALA 19 2HB ALA 19 -9.075 6.743 -2.408
129 HB3 ALA 19 3HB ALA 19 -10.321 6.232 -1.269
130 H HIS 20 HN HIS 20 -5.980 5.468 0.041
131 HA HIS 20 HA HIS 20 -6.015 3.358 -2.009
132 HB2 HIS 20 2HB HIS 20 -3.894 5.439 -1.514
133 HB3 HIS 20 3HB HIS 20 -3.525 3.915 -2.317
134 HD2 HIS 20 2HD HIS 20 -6.374 3.970 -4.156
135 HE1 HIS 20 1HE HIS 20 -4.546 7.438 -5.777
136 HE2 HIS 20 2HE HIS 20 -6.369 5.724 -6.058
137 H SER 21 HN SER 21 -6.173 1.617 -0.696
138 HA SER 21 HA SER 21 -4.862 1.384 1.810
139 HB2 SER 21 2HB SER 21 -5.407 -1.194 1.161
140 HB3 SER 21 3HB SER 21 -6.600 -0.079 1.828
141 HG SER 21 HG SER 21 -7.620 -0.108 -0.006
142 H PHE 22 HN PHE 22 -3.132 0.001 2.398
143 HA PHE 22 HA PHE 22 -1.490 -1.173 0.328
144 HB2 PHE 22 2HB PHE 22 -0.453 1.118 2.010
145 HB3 PHE 22 3HB PHE 22 0.537 0.102 0.966
146 HD1 PHE 22 1HD PHE 22 0.046 0.102 -1.516
147 HD2 PHE 22 2HD PHE 22 -1.565 2.987 1.167
148 HE1 PHE 22 1HE PHE 22 -0.412 1.602 -3.412
149 HE2 PHE 22 2HE PHE 22 -2.027 4.491 -0.725
150 HZ PHE 22 HZ PHE 22 -1.452 3.800 -3.018
151 H CYS 23 HN CYS 23 -1.868 -3.102 1.439
152 HA CYS 23 HA CYS 23 -1.775 -3.735 4.051
153 HB2 CYS 23 2HB CYS 23 -1.249 -5.936 3.460
154 HB3 CYS 23 3HB CYS 23 -1.951 -5.280 1.985
155 H GLN 24 HN GLN 24 -0.231 -4.273 5.610
156 HA GLN 24 HA GLN 24 1.896 -2.639 6.001
157 HB2 GLN 24 2HB GLN 24 1.202 -5.350 6.990
158 HB3 GLN 24 3HB GLN 24 2.852 -4.807 7.267
159 HG2 GLN 24 2HG GLN 24 0.641 -2.959 7.973
160 HG3 GLN 24 3HG GLN 24 0.921 -4.360 9.005
161 HE21 GLN 24 1HE2 GLN 24 1.867 -1.218 8.245
162 HE22 GLN 24 2HE2 GLN 24 3.281 -1.135 9.234
163 H LYS 25 HN LYS 25 2.249 -5.983 4.803
164 HA LYS 25 HA LYS 25 4.873 -6.133 4.254
165 HB2 LYS 25 2HB LYS 25 2.951 -6.961 2.101
166 HB3 LYS 25 3HB LYS 25 4.412 -7.773 2.648
167 HG2 LYS 25 2HG LYS 25 3.161 -8.119 4.857
168 HG3 LYS 25 3HG LYS 25 1.713 -7.694 3.942
169 HD2 LYS 25 2HD LYS 25 3.387 -9.657 2.585
170 HD3 LYS 25 3HD LYS 25 2.810 -10.211 4.158
171 HE2 LYS 25 2HE LYS 25 1.196 -10.873 2.541
172 HE3 LYS 25 3HE LYS 25 0.505 -9.526 3.446
173 HZ1 LYS 25 1HZ LYS 25 0.144 -8.569 1.493
174 HZ2 LYS 25 2HZ LYS 25 1.053 -9.730 0.662
175 HZ3 LYS 25 3HZ LYS 25 1.817 -8.375 1.326
176 H CYS 26 HN CYS 26 2.510 -4.328 2.362
177 HA CYS 26 HA CYS 26 4.511 -3.504 0.429
178 HB2 CYS 26 2HB CYS 26 1.562 -2.995 0.745
179 HB3 CYS 26 3HB CYS 26 2.526 -2.080 -0.410
180 H ILE 27 HN ILE 27 2.839 -2.213 3.218
181 HA ILE 27 HA ILE 27 3.548 0.504 2.845
182 HB ILE 27 HB ILE 27 2.110 -0.999 4.777
183 HG12 ILE 27 2HG1 ILE 27 2.524 1.992 4.612
184 HG13 ILE 27 3HG1 ILE 27 1.436 1.088 3.564
185 HG21 ILE 27 1HG2 ILE 27 2.851 0.002 6.862
186 HG22 ILE 27 2HG2 ILE 27 4.152 -0.937 6.134
187 HG23 ILE 27 3HG2 ILE 27 4.166 0.822 6.020
188 HD11 ILE 27 1HD1 ILE 27 0.398 0.279 5.806
189 HD12 ILE 27 2HD1 ILE 27 1.189 1.712 6.464
190 HD13 ILE 27 3HD1 ILE 27 0.004 1.875 5.169
191 H ASP 28 HN ASP 28 5.302 -2.242 3.924
192 HA ASP 28 HA ASP 28 7.214 -0.992 5.577
193 HB2 ASP 28 2HB ASP 28 6.725 -3.518 5.191
194 HB3 ASP 28 3HB ASP 28 7.867 -3.367 3.859
195 H LYS 29 HN LYS 29 6.903 -1.273 2.116
196 HA LYS 29 HA LYS 29 9.586 -0.244 1.655
197 HB2 LYS 29 2HB LYS 29 7.546 -1.611 0.071
198 HB3 LYS 29 3HB LYS 29 8.298 -0.276 -0.791
199 HG2 LYS 29 2HG LYS 29 10.056 -1.538 -1.232
200 HG3 LYS 29 3HG LYS 29 10.349 -1.759 0.495
201 HD2 LYS 29 2HD LYS 29 10.095 -3.939 -0.247
202 HD3 LYS 29 3HD LYS 29 8.471 -3.545 0.323
203 HE2 LYS 29 2HE LYS 29 7.876 -2.937 -2.022
204 HE3 LYS 29 3HE LYS 29 9.459 -3.527 -2.527
205 HZ1 LYS 29 1HZ LYS 29 8.089 -5.444 -0.929
206 HZ2 LYS 29 2HZ LYS 29 8.735 -5.609 -2.483
207 HZ3 LYS 29 3HZ LYS 29 7.166 -5.009 -2.278
208 H TRP 30 HN TRP 30 6.247 0.713 0.856
209 HA TRP 30 HA TRP 30 7.013 3.314 -0.031
210 HB2 TRP 30 2HB TRP 30 4.283 2.289 0.779
211 HB3 TRP 30 3HB TRP 30 4.606 3.768 -0.123
212 HD1 TRP 30 1HD TRP 30 3.745 0.235 -0.648
213 HE1 TRP 30 1HE TRP 30 4.064 -0.429 -3.115
214 HE3 TRP 30 3HE TRP 30 6.436 4.281 -2.237
215 HZ2 TRP 30 2HZ TRP 30 5.294 0.623 -5.428
216 HZ3 TRP 30 3HZ TRP 30 7.146 4.375 -4.591
217 HH2 TRP 30 2HH TRP 30 6.586 2.583 -6.152
218 H SER 31 HN SER 31 4.734 2.593 2.601
219 HA SER 31 HA SER 31 4.285 3.723 4.534
220 HB2 SER 31 2HB SER 31 6.870 2.690 4.644
221 HB3 SER 31 3HB SER 31 7.041 4.345 5.230
222 HG SER 31 HG SER 31 6.494 2.737 6.858
223 H ASP 32 HN ASP 32 3.310 5.611 3.973
224 HA ASP 32 HA ASP 32 3.066 7.812 3.354
225 HB2 ASP 32 2HB ASP 32 4.946 7.687 5.660
226 HB3 ASP 32 3HB ASP 32 4.728 9.248 4.872
227 H ARG 33 HN ARG 33 6.414 8.394 4.144
228 HA ARG 33 HA ARG 33 8.253 8.849 2.847
229 HB2 ARG 33 2HB ARG 33 7.132 7.053 1.292
230 HB3 ARG 33 3HB ARG 33 6.710 8.452 0.313
231 HG2 ARG 33 2HG ARG 33 8.725 7.586 -0.561
232 HG3 ARG 33 3HG ARG 33 9.146 9.059 0.315
233 HD2 ARG 33 2HD ARG 33 9.244 6.820 2.097
234 HD3 ARG 33 3HD ARG 33 10.200 6.468 0.658
235 HE ARG 33 HE ARG 33 10.778 8.419 2.697
236 HH11 ARG 33 1HH1 ARG 33 11.343 7.437 -0.595
237 HH12 ARG 33 2HH1 ARG 33 12.853 8.277 -0.723
238 HH21 ARG 33 1HH2 ARG 33 12.764 9.528 2.540
239 HH22 ARG 33 2HH2 ARG 33 13.661 9.465 1.061
240 H HIS 34 HN HIS 34 5.374 9.909 1.020
241 HA HIS 34 HA HIS 34 6.247 12.687 1.394
242 HB2 HIS 34 2HB HIS 34 6.265 11.239 -1.080
243 HB3 HIS 34 3HB HIS 34 5.054 12.515 -1.172
244 HD2 HIS 34 2HD HIS 34 8.557 12.916 0.592
245 HE1 HIS 34 1HE HIS 34 8.296 15.628 -2.661
246 HE2 HIS 34 2HE HIS 34 9.714 14.801 -0.751
247 H ARG 35 HN ARG 35 3.997 10.637 2.183
248 HA ARG 35 HA ARG 35 1.898 11.004 3.053
249 HB2 ARG 35 2HB ARG 35 2.716 13.544 2.799
250 HB3 ARG 35 3HB ARG 35 1.463 13.538 1.565
251 HG2 ARG 35 2HG ARG 35 -0.209 12.948 3.155
252 HG3 ARG 35 3HG ARG 35 1.005 12.657 4.403
253 HD2 ARG 35 2HD ARG 35 0.600 15.334 3.088
254 HD3 ARG 35 3HD ARG 35 -0.240 14.848 4.559
255 HE ARG 35 HE ARG 35 2.431 15.772 4.365
256 HH11 ARG 35 1HH1 ARG 35 0.426 13.490 6.066
257 HH12 ARG 35 2HH1 ARG 35 1.421 13.475 7.484
258 HH21 ARG 35 1HH2 ARG 35 3.749 15.760 6.227
259 HH22 ARG 35 2HH2 ARG 35 3.310 14.767 7.575
260 H ASN 36 HN ASN 36 2.775 11.124 -0.228
261 HA ASN 36 HA ASN 36 0.033 10.673 -1.149
262 HB2 ASN 36 2HB ASN 36 1.359 10.612 -3.436
263 HB3 ASN 36 3HB ASN 36 0.977 12.143 -2.653
264 HD21 ASN 36 1HD2 ASN 36 3.480 9.658 -2.240
265 HD22 ASN 36 2HD2 ASN 36 4.815 10.754 -2.303
266 H CYS 37 HN CYS 37 -0.080 8.973 -2.998
267 HA CYS 37 HA CYS 37 1.343 6.551 -2.101
268 HB2 CYS 37 2HB CYS 37 -1.151 6.017 -3.491
269 HB3 CYS 37 3HB CYS 37 -0.598 5.441 -1.922
270 HA PRO 38 HA PRO 38 2.816 5.941 -6.189
271 HB2 PRO 38 2HB PRO 38 2.780 3.234 -6.385
272 HB3 PRO 38 3HB PRO 38 3.948 4.109 -5.389
273 HG2 PRO 38 2HG PRO 38 1.416 2.737 -4.573
274 HG3 PRO 38 3HG PRO 38 3.002 2.723 -3.779
275 HD2 PRO 38 2HD PRO 38 0.960 4.288 -2.931
276 HD3 PRO 38 3HD PRO 38 2.661 4.775 -2.786
277 H ILE 39 HN ILE 39 -0.354 5.297 -5.355
278 HA ILE 39 HA ILE 39 -1.126 4.209 -7.945
279 HB ILE 39 HB ILE 39 -2.920 4.974 -5.642
280 HG12 ILE 39 2HG1 ILE 39 -1.152 3.223 -5.117
281 HG13 ILE 39 3HG1 ILE 39 -2.823 2.728 -4.874
282 HG21 ILE 39 1HG2 ILE 39 -4.498 3.419 -6.736
283 HG22 ILE 39 2HG2 ILE 39 -4.095 4.809 -7.743
284 HG23 ILE 39 3HG2 ILE 39 -3.358 3.242 -8.069
285 HD11 ILE 39 1HD1 ILE 39 -2.704 1.138 -6.439
286 HD12 ILE 39 2HD1 ILE 39 -1.755 2.142 -7.535
287 HD13 ILE 39 3HD1 ILE 39 -0.962 1.290 -6.209
288 H CYS 40 HN CYS 40 -0.717 7.227 -6.477
289 HA CYS 40 HA CYS 40 -2.453 8.507 -8.487
290 HB2 CYS 40 2HB CYS 40 -2.080 10.500 -6.723
291 HB3 CYS 40 3HB CYS 40 -3.408 9.351 -6.601
292 H ARG 41 HN ARG 41 0.616 8.756 -6.731
293 HA ARG 41 HA ARG 41 1.772 10.962 -7.777
294 HB2 ARG 41 2HB ARG 41 2.760 8.384 -6.818
295 HB3 ARG 41 3HB ARG 41 3.847 9.151 -7.965
296 HG2 ARG 41 2HG ARG 41 3.282 11.244 -6.360
297 HG3 ARG 41 3HG ARG 41 3.157 9.909 -5.212
298 HD2 ARG 41 2HD ARG 41 5.374 9.950 -5.046
299 HD3 ARG 41 3HD ARG 41 5.449 9.375 -6.710
300 HE ARG 41 HE ARG 41 5.163 12.069 -6.955
301 HH11 ARG 41 1HH1 ARG 41 7.393 9.995 -5.267
302 HH12 ARG 41 2HH1 ARG 41 8.717 11.106 -5.384
303 HH21 ARG 41 1HH2 ARG 41 6.898 13.540 -7.115
304 HH22 ARG 41 2HH2 ARG 41 8.435 13.123 -6.434
305 H LEU 42 HN LEU 42 1.442 7.843 -9.413
306 HA LEU 42 HA LEU 42 2.450 9.078 -11.884
307 HB2 LEU 42 2HB LEU 42 2.128 6.349 -12.329
308 HB3 LEU 42 3HB LEU 42 3.639 7.219 -12.073
309 HG LEU 42 HG LEU 42 2.033 6.073 -9.801
310 HD11 LEU 42 1HD1 LEU 42 4.351 4.526 -10.360
311 HD12 LEU 42 2HD1 LEU 42 3.373 4.619 -11.824
312 HD13 LEU 42 3HD1 LEU 42 2.663 4.017 -10.326
313 HD21 LEU 42 1HD2 LEU 42 3.887 6.482 -8.491
314 HD22 LEU 42 2HD2 LEU 42 3.899 7.874 -9.574
315 HD23 LEU 42 3HD2 LEU 42 4.987 6.517 -9.869
Start of MODEL 5
1 H1 GLU 1 HN GLU 1 -15.076 -6.865 3.724
2 HA GLU 1 HA GLU 1 -14.115 -4.409 4.449
3 HB2 GLU 1 2HB GLU 1 -12.965 -7.141 4.386
4 HB3 GLU 1 3HB GLU 1 -11.824 -5.817 4.579
5 HG2 GLU 1 2HG GLU 1 -13.602 -5.079 6.413
6 HG3 GLU 1 3HG GLU 1 -13.906 -6.815 6.426
7 H GLU 2 HN GLU 2 -11.514 -4.027 3.952
8 HA GLU 2 HA GLU 2 -11.486 -3.384 1.086
9 HB2 GLU 2 2HB GLU 2 -9.679 -2.186 3.176
10 HB3 GLU 2 3HB GLU 2 -10.061 -1.559 1.578
11 HG2 GLU 2 2HG GLU 2 -11.753 -1.563 4.045
12 HG3 GLU 2 3HG GLU 2 -11.254 -0.201 3.043
13 H GLU 3 HN GLU 3 -9.613 -3.727 -0.158
14 HA GLU 3 HA GLU 3 -7.590 -5.496 1.034
15 HB2 GLU 3 2HB GLU 3 -8.798 -5.909 -1.705
16 HB3 GLU 3 3HB GLU 3 -7.619 -6.938 -0.903
17 HG2 GLU 3 2HG GLU 3 -9.705 -6.851 0.890
18 HG3 GLU 3 3HG GLU 3 -10.512 -6.888 -0.676
19 H CYS 4 HN CYS 4 -5.519 -5.364 0.146
20 HA CYS 4 HA CYS 4 -4.594 -2.895 -0.627
21 HB2 CYS 4 2HB CYS 4 -3.286 -4.986 0.135
22 HB3 CYS 4 3HB CYS 4 -3.258 -5.422 -1.570
23 H CYS 5 HN CYS 5 -4.293 -1.810 -2.507
24 HA CYS 5 HA CYS 5 -5.655 -2.870 -4.856
25 HB2 CYS 5 2HB CYS 5 -6.261 -0.624 -4.224
26 HB3 CYS 5 3HB CYS 5 -4.574 -0.124 -4.205
27 HG CYS 5 HG CYS 5 -6.664 -0.510 -6.822
28 H ILE 6 HN ILE 6 -2.601 -2.971 -3.649
29 HA ILE 6 HA ILE 6 -1.314 -2.785 -6.284
30 HB ILE 6 HB ILE 6 -0.249 -2.602 -3.488
31 HG12 ILE 6 2HG1 ILE 6 0.139 -0.925 -5.977
32 HG13 ILE 6 3HG1 ILE 6 -0.947 -0.546 -4.644
33 HG21 ILE 6 1HG2 ILE 6 2.014 -2.480 -4.946
34 HG22 ILE 6 2HG2 ILE 6 1.444 -3.940 -4.138
35 HG23 ILE 6 3HG2 ILE 6 1.119 -3.698 -5.854
36 HD11 ILE 6 1HD1 ILE 6 1.980 -0.271 -4.847
37 HD12 ILE 6 2HD1 ILE 6 0.794 0.730 -4.008
38 HD13 ILE 6 3HD1 ILE 6 1.342 -0.784 -3.286
39 H CYS 7 HN CYS 7 -1.169 -4.823 -3.357
40 HA CYS 7 HA CYS 7 0.035 -7.006 -4.760
41 HB2 CYS 7 2HB CYS 7 -1.343 -7.196 -2.087
42 HB3 CYS 7 3HB CYS 7 0.000 -8.161 -2.694
43 H MET 8 HN MET 8 -3.181 -6.521 -3.300
44 HA MET 8 HA MET 8 -5.236 -7.231 -4.045
45 HB2 MET 8 2HB MET 8 -3.781 -7.429 -6.343
46 HB3 MET 8 3HB MET 8 -4.248 -9.106 -6.090
47 HG2 MET 8 2HG MET 8 -6.605 -7.842 -5.663
48 HG3 MET 8 3HG MET 8 -5.864 -6.789 -6.866
49 HE1 MET 8 1HE MET 8 -4.185 -8.159 -8.403
50 HE2 MET 8 2HE MET 8 -4.487 -9.794 -8.990
51 HE3 MET 8 3HE MET 8 -5.237 -8.415 -9.795
52 H ASP 9 HN ASP 9 -4.330 -8.323 -1.862
53 HA ASP 9 HA ASP 9 -5.625 -10.686 -1.493
54 HB2 ASP 9 2HB ASP 9 -3.150 -11.118 -2.926
55 HB3 ASP 9 3HB ASP 9 -3.126 -11.957 -1.378
56 H GLY 10 HN GLY 10 -3.002 -8.597 -0.675
57 HA2 GLY 10 1HA GLY 10 -2.628 -9.721 1.972
58 HA3 GLY 10 2HA GLY 10 -1.831 -8.298 1.317
59 H ARG 11 HN ARG 11 -5.285 -8.585 1.140
60 HA ARG 11 HA ARG 11 -6.903 -7.157 1.910
61 HB2 ARG 11 2HB ARG 11 -5.549 -7.632 4.567
62 HB3 ARG 11 3HB ARG 11 -7.248 -7.282 4.278
63 HG2 ARG 11 2HG ARG 11 -5.738 -9.814 3.773
64 HG3 ARG 11 3HG ARG 11 -7.210 -9.562 4.715
65 HD2 ARG 11 2HD ARG 11 -8.255 -8.855 2.464
66 HD3 ARG 11 3HD ARG 11 -6.863 -9.660 1.740
67 HE ARG 11 HE ARG 11 -9.120 -10.906 3.029
68 HH11 ARG 11 1HH1 ARG 11 -5.802 -11.268 2.037
69 HH12 ARG 11 2HH1 ARG 11 -5.869 -12.999 1.990
70 HH21 ARG 11 1HH2 ARG 11 -9.220 -13.184 2.971
71 HH22 ARG 11 2HH2 ARG 11 -7.814 -14.088 2.520
72 H ALA 12 HN ALA 12 -6.923 -5.417 4.121
73 HA ALA 12 HA ALA 12 -4.805 -3.472 3.538
74 HB1 ALA 12 1HB ALA 12 -6.530 -1.662 3.475
75 HB2 ALA 12 2HB ALA 12 -6.575 -2.769 2.103
76 HB3 ALA 12 3HB ALA 12 -7.762 -2.922 3.397
77 H ASP 13 HN ASP 13 -3.919 -2.783 5.363
78 HA ASP 13 HA ASP 13 -5.493 -2.959 7.845
79 HB2 ASP 13 2HB ASP 13 -3.190 -4.205 7.423
80 HB3 ASP 13 3HB ASP 13 -2.524 -2.640 7.884
81 H LEU 14 HN LEU 14 -4.038 -0.803 5.657
82 HA LEU 14 HA LEU 14 -4.520 1.417 7.517
83 HB2 LEU 14 2HB LEU 14 -2.002 0.616 6.388
84 HB3 LEU 14 3HB LEU 14 -2.440 2.224 5.813
85 HG LEU 14 HG LEU 14 -2.410 3.127 7.981
86 HD11 LEU 14 1HD1 LEU 14 -3.577 1.702 9.357
87 HD12 LEU 14 2HD1 LEU 14 -1.930 1.474 9.942
88 HD13 LEU 14 3HD1 LEU 14 -2.654 0.285 8.858
89 HD21 LEU 14 1HD2 LEU 14 -0.183 2.551 6.985
90 HD22 LEU 14 2HD2 LEU 14 -0.171 1.110 8.004
91 HD23 LEU 14 3HD2 LEU 14 -0.191 2.714 8.741
92 H ILE 15 HN ILE 15 -5.913 2.820 6.693
93 HA ILE 15 HA ILE 15 -6.327 2.853 3.784
94 HB ILE 15 HB ILE 15 -8.139 3.867 5.979
95 HG12 ILE 15 2HG1 ILE 15 -8.312 1.399 4.236
96 HG13 ILE 15 3HG1 ILE 15 -7.982 1.427 5.965
97 HG21 ILE 15 1HG2 ILE 15 -8.814 3.505 3.072
98 HG22 ILE 15 2HG2 ILE 15 -9.749 4.331 4.317
99 HG23 ILE 15 3HG2 ILE 15 -8.240 5.035 3.737
100 HD11 ILE 15 1HD1 ILE 15 -10.366 2.817 5.684
101 HD12 ILE 15 2HD1 ILE 15 -10.499 1.454 4.573
102 HD13 ILE 15 3HD1 ILE 15 -10.155 1.171 6.279
103 H LEU 16 HN LEU 16 -6.014 4.655 2.601
104 HA LEU 16 HA LEU 16 -4.763 6.924 3.922
105 HB2 LEU 16 2HB LEU 16 -5.029 6.021 1.082
106 HB3 LEU 16 3HB LEU 16 -4.548 7.676 1.450
107 HG LEU 16 HG LEU 16 -3.063 5.121 1.981
108 HD11 LEU 16 1HD1 LEU 16 -1.358 6.099 0.694
109 HD12 LEU 16 2HD1 LEU 16 -2.084 7.702 0.795
110 HD13 LEU 16 3HD1 LEU 16 -2.853 6.446 -0.174
111 HD21 LEU 16 1HD2 LEU 16 -2.819 7.756 3.381
112 HD22 LEU 16 2HD2 LEU 16 -1.399 6.738 3.128
113 HD23 LEU 16 3HD2 LEU 16 -2.772 6.124 4.051
114 HA PRO 17 HA PRO 17 -8.187 9.664 3.750
115 HB2 PRO 17 2HB PRO 17 -6.982 12.022 3.155
116 HB3 PRO 17 3HB PRO 17 -6.836 11.241 4.734
117 HG2 PRO 17 2HG PRO 17 -4.923 11.229 2.431
118 HG3 PRO 17 3HG PRO 17 -4.589 11.421 4.162
119 HD2 PRO 17 2HD PRO 17 -4.230 9.074 2.862
120 HD3 PRO 17 3HD PRO 17 -4.716 9.156 4.567
121 H CYS 18 HN CYS 18 -6.621 8.686 1.024
122 HA CYS 18 HA CYS 18 -8.319 10.335 -0.732
123 HB2 CYS 18 2HB CYS 18 -6.694 9.858 -2.526
124 HB3 CYS 18 3HB CYS 18 -5.949 10.697 -1.169
125 H ALA 19 HN ALA 19 -8.262 7.433 0.687
126 HA ALA 19 HA ALA 19 -9.607 5.601 0.329
127 HB1 ALA 19 1HB ALA 19 -10.053 6.398 -2.522
128 HB2 ALA 19 2HB ALA 19 -11.109 5.493 -1.437
129 HB3 ALA 19 3HB ALA 19 -10.891 7.229 -1.211
130 H HIS 20 HN HIS 20 -6.853 5.504 0.122
131 HA HIS 20 HA HIS 20 -6.507 3.412 -1.916
132 HB2 HIS 20 2HB HIS 20 -4.752 5.770 -1.339
133 HB3 HIS 20 3HB HIS 20 -4.028 4.270 -1.910
134 HD2 HIS 20 2HD HIS 20 -6.872 3.925 -3.961
135 HE1 HIS 20 1HE HIS 20 -4.815 7.053 -5.956
136 HE2 HIS 20 2HE HIS 20 -6.671 5.357 -6.105
137 H SER 21 HN SER 21 -6.580 1.657 -0.615
138 HA SER 21 HA SER 21 -5.294 1.606 1.957
139 HB2 SER 21 2HB SER 21 -5.889 -0.999 1.462
140 HB3 SER 21 3HB SER 21 -7.041 0.165 2.117
141 HG SER 21 HG SER 21 -6.797 -0.820 -0.506
142 H PHE 22 HN PHE 22 -3.666 0.010 2.555
143 HA PHE 22 HA PHE 22 -2.064 -1.191 0.489
144 HB2 PHE 22 2HB PHE 22 -0.896 1.065 2.132
145 HB3 PHE 22 3HB PHE 22 0.002 0.032 1.024
146 HD1 PHE 22 1HD PHE 22 -2.131 2.919 1.358
147 HD2 PHE 22 2HD PHE 22 -0.462 0.155 -1.415
148 HE1 PHE 22 1HE PHE 22 -2.634 4.469 -0.485
149 HE2 PHE 22 2HE PHE 22 -0.961 1.701 -3.263
150 HZ PHE 22 HZ PHE 22 -2.047 3.862 -2.799
151 H CYS 23 HN CYS 23 -1.996 -3.144 1.424
152 HA CYS 23 HA CYS 23 -2.027 -3.725 4.136
153 HB2 CYS 23 2HB CYS 23 -1.451 -5.955 3.551
154 HB3 CYS 23 3HB CYS 23 -2.384 -5.324 2.197
155 H GLN 24 HN GLN 24 -0.401 -4.396 5.600
156 HA GLN 24 HA GLN 24 1.802 -2.762 5.833
157 HB2 GLN 24 2HB GLN 24 0.823 -4.192 7.636
158 HB3 GLN 24 3HB GLN 24 1.616 -5.582 6.905
159 HG2 GLN 24 2HG GLN 24 3.326 -5.143 8.244
160 HG3 GLN 24 3HG GLN 24 3.664 -3.767 7.194
161 HE21 GLN 24 1HE2 GLN 24 2.997 -1.702 7.833
162 HE22 GLN 24 2HE2 GLN 24 2.616 -1.340 9.479
163 H LYS 25 HN LYS 25 1.663 -6.036 4.469
164 HA LYS 25 HA LYS 25 4.197 -6.723 4.003
165 HB2 LYS 25 2HB LYS 25 2.283 -6.732 1.682
166 HB3 LYS 25 3HB LYS 25 3.519 -7.916 2.083
167 HG2 LYS 25 2HG LYS 25 0.878 -7.467 3.439
168 HG3 LYS 25 3HG LYS 25 1.441 -8.909 2.591
169 HD2 LYS 25 2HD LYS 25 3.256 -9.076 4.344
170 HD3 LYS 25 3HD LYS 25 2.386 -7.828 5.238
171 HE2 LYS 25 2HE LYS 25 1.168 -10.440 4.355
172 HE3 LYS 25 3HE LYS 25 1.868 -10.166 5.950
173 HZ1 LYS 25 1HZ LYS 25 0.124 -8.921 6.599
174 HZ2 LYS 25 2HZ LYS 25 -0.698 -9.792 5.405
175 HZ3 LYS 25 3HZ LYS 25 -0.121 -8.236 5.073
176 H CYS 26 HN CYS 26 2.518 -4.841 1.483
177 HA CYS 26 HA CYS 26 4.915 -4.015 0.235
178 HB2 CYS 26 2HB CYS 26 3.422 -2.402 -0.983
179 HB3 CYS 26 3HB CYS 26 2.898 -4.080 -1.060
180 H ILE 27 HN ILE 27 2.749 -2.437 2.543
181 HA ILE 27 HA ILE 27 3.802 0.114 2.559
182 HB ILE 27 HB ILE 27 2.105 -1.419 4.269
183 HG12 ILE 27 2HG1 ILE 27 2.643 1.555 4.115
184 HG13 ILE 27 3HG1 ILE 27 1.515 0.666 3.099
185 HG21 ILE 27 1HG2 ILE 27 3.951 -1.487 5.845
186 HG22 ILE 27 2HG2 ILE 27 4.137 0.263 5.729
187 HG23 ILE 27 3HG2 ILE 27 2.676 -0.423 6.440
188 HD11 ILE 27 1HD1 ILE 27 0.056 1.453 4.631
189 HD12 ILE 27 2HD1 ILE 27 0.540 -0.019 5.474
190 HD13 ILE 27 3HD1 ILE 27 1.266 1.527 5.912
191 H ASP 28 HN ASP 28 5.153 -2.820 3.833
192 HA ASP 28 HA ASP 28 7.177 -1.438 5.385
193 HB2 ASP 28 2HB ASP 28 6.050 -3.742 5.902
194 HB3 ASP 28 3HB ASP 28 7.252 -4.374 4.780
195 H LYS 29 HN LYS 29 6.773 -2.678 2.209
196 HA LYS 29 HA LYS 29 9.560 -3.038 1.628
197 HB2 LYS 29 2HB LYS 29 7.008 -3.195 0.126
198 HB3 LYS 29 3HB LYS 29 8.448 -2.830 -0.817
199 HG2 LYS 29 2HG LYS 29 8.339 -5.128 -0.935
200 HG3 LYS 29 3HG LYS 29 9.470 -4.872 0.395
201 HD2 LYS 29 2HD LYS 29 7.483 -5.067 1.949
202 HD3 LYS 29 3HD LYS 29 6.560 -5.627 0.552
203 HE2 LYS 29 2HE LYS 29 7.561 -7.645 0.540
204 HE3 LYS 29 3HE LYS 29 9.136 -6.979 0.967
205 HZ1 LYS 29 1HZ LYS 29 8.086 -6.651 3.267
206 HZ2 LYS 29 2HZ LYS 29 8.548 -8.214 2.816
207 HZ3 LYS 29 3HZ LYS 29 6.920 -7.761 2.748
208 H TRP 30 HN TRP 30 7.146 -0.684 0.454
209 HA TRP 30 HA TRP 30 9.099 1.040 -0.679
210 HB2 TRP 30 2HB TRP 30 6.312 1.862 0.130
211 HB3 TRP 30 3HB TRP 30 7.302 2.509 -1.175
212 HD1 TRP 30 1HD TRP 30 4.851 -0.257 -0.381
213 HE1 TRP 30 1HE TRP 30 4.325 -1.570 -2.531
214 HE3 TRP 30 3HE TRP 30 8.414 1.751 -3.449
215 HZ2 TRP 30 2HZ TRP 30 5.294 -1.733 -5.178
216 HZ3 TRP 30 3HZ TRP 30 8.548 0.961 -5.776
217 HH2 TRP 30 2HH TRP 30 7.020 -0.745 -6.620
218 H SER 31 HN SER 31 6.916 1.618 2.088
219 HA SER 31 HA SER 31 7.342 2.588 4.127
220 HB2 SER 31 2HB SER 31 9.801 1.673 3.547
221 HB3 SER 31 3HB SER 31 10.120 3.406 3.461
222 HG SER 31 HG SER 31 9.413 1.826 5.645
223 H ASP 32 HN ASP 32 5.948 4.018 2.500
224 HA ASP 32 HA ASP 32 6.991 6.421 1.512
225 HB2 ASP 32 2HB ASP 32 4.528 7.205 1.856
226 HB3 ASP 32 3HB ASP 32 4.872 5.920 0.701
227 H ARG 33 HN ARG 33 7.604 8.262 2.450
228 HA ARG 33 HA ARG 33 7.270 8.510 5.347
229 HB2 ARG 33 2HB ARG 33 9.100 9.922 3.401
230 HB3 ARG 33 3HB ARG 33 9.001 10.315 5.113
231 HG2 ARG 33 2HG ARG 33 10.304 8.606 5.685
232 HG3 ARG 33 3HG ARG 33 9.429 7.482 4.645
233 HD2 ARG 33 2HD ARG 33 10.706 8.868 2.761
234 HD3 ARG 33 3HD ARG 33 11.842 9.112 4.087
235 HE ARG 33 HE ARG 33 11.055 6.369 3.691
236 HH11 ARG 33 1HH1 ARG 33 13.297 8.882 2.810
237 HH12 ARG 33 2HH1 ARG 33 14.536 7.780 2.307
238 HH21 ARG 33 1HH2 ARG 33 12.679 4.909 3.033
239 HH22 ARG 33 2HH2 ARG 33 14.183 5.520 2.434
240 H HIS 34 HN HIS 34 6.982 10.508 2.412
241 HA HIS 34 HA HIS 34 5.656 12.641 3.776
242 HB2 HIS 34 2HB HIS 34 5.934 12.027 0.829
243 HB3 HIS 34 3HB HIS 34 5.239 13.512 1.473
244 HD2 HIS 34 2HD HIS 34 8.045 13.057 3.758
245 HE1 HIS 34 1HE HIS 34 9.818 14.886 0.366
246 HE2 HIS 34 2HE HIS 34 10.137 14.216 2.772
247 H ARG 35 HN ARG 35 4.618 9.626 3.119
248 HA ARG 35 HA ARG 35 2.579 8.619 3.087
249 HB2 ARG 35 2HB ARG 35 2.237 10.600 4.813
250 HB3 ARG 35 3HB ARG 35 1.164 11.204 3.556
251 HG2 ARG 35 2HG ARG 35 0.406 8.579 3.779
252 HG3 ARG 35 3HG ARG 35 0.795 9.019 5.443
253 HD2 ARG 35 2HD ARG 35 -0.629 11.193 4.467
254 HD3 ARG 35 3HD ARG 35 -1.463 9.790 3.800
255 HE ARG 35 HE ARG 35 -2.220 9.298 5.896
256 HH11 ARG 35 1HH1 ARG 35 0.471 11.491 6.157
257 HH12 ARG 35 2HH1 ARG 35 0.289 11.719 7.865
258 HH21 ARG 35 1HH2 ARG 35 -2.470 9.589 8.146
259 HH22 ARG 35 2HH2 ARG 35 -1.383 10.634 8.996
260 H ASN 36 HN ASN 36 3.711 9.756 0.671
261 HA ASN 36 HA ASN 36 1.341 10.583 -0.837
262 HB2 ASN 36 2HB ASN 36 4.286 10.608 -1.515
263 HB3 ASN 36 3HB ASN 36 3.025 11.010 -2.676
264 HD21 ASN 36 1HD2 ASN 36 2.997 11.783 0.745
265 HD22 ASN 36 2HD2 ASN 36 3.087 13.498 0.549
266 H CYS 37 HN CYS 37 0.211 8.706 -1.159
267 HA CYS 37 HA CYS 37 1.100 6.176 -1.667
268 HB2 CYS 37 2HB CYS 37 -1.038 6.068 -3.203
269 HB3 CYS 37 3HB CYS 37 -1.194 6.281 -1.462
270 HA PRO 38 HA PRO 38 3.204 6.215 -5.528
271 HB2 PRO 38 2HB PRO 38 2.852 3.624 -6.258
272 HB3 PRO 38 3HB PRO 38 3.960 4.119 -4.972
273 HG2 PRO 38 2HG PRO 38 1.179 3.029 -4.762
274 HG3 PRO 38 3HG PRO 38 2.613 2.631 -3.797
275 HD2 PRO 38 2HD PRO 38 0.685 4.314 -2.914
276 HD3 PRO 38 3HD PRO 38 2.393 4.500 -2.468
277 H ILE 39 HN ILE 39 -0.121 5.171 -5.308
278 HA ILE 39 HA ILE 39 -0.601 4.953 -8.106
279 HB ILE 39 HB ILE 39 -2.428 5.229 -5.732
280 HG12 ILE 39 2HG1 ILE 39 -2.989 2.929 -7.227
281 HG13 ILE 39 3HG1 ILE 39 -1.233 3.057 -7.236
282 HG21 ILE 39 1HG2 ILE 39 -3.559 6.383 -7.498
283 HG22 ILE 39 2HG2 ILE 39 -3.185 5.098 -8.645
284 HG23 ILE 39 3HG2 ILE 39 -4.303 4.795 -7.316
285 HD11 ILE 39 1HD1 ILE 39 -1.884 1.704 -5.388
286 HD12 ILE 39 2HD1 ILE 39 -1.310 3.249 -4.757
287 HD13 ILE 39 3HD1 ILE 39 -3.041 2.917 -4.839
288 H CYS 40 HN CYS 40 -2.135 7.288 -5.906
289 HA CYS 40 HA CYS 40 -3.019 9.130 -7.660
290 HB2 CYS 40 2HB CYS 40 -1.786 9.509 -4.942
291 HB3 CYS 40 3HB CYS 40 -2.410 10.879 -5.855
292 H ARG 41 HN ARG 41 0.296 9.009 -6.385
293 HA ARG 41 HA ARG 41 1.463 11.211 -7.388
294 HB2 ARG 41 2HB ARG 41 3.265 10.105 -6.679
295 HB3 ARG 41 3HB ARG 41 2.353 8.601 -6.670
296 HG2 ARG 41 2HG ARG 41 2.951 8.172 -8.965
297 HG3 ARG 41 3HG ARG 41 3.762 9.736 -9.076
298 HD2 ARG 41 2HD ARG 41 5.618 8.613 -8.529
299 HD3 ARG 41 3HD ARG 41 4.964 8.606 -6.891
300 HE ARG 41 HE ARG 41 4.551 6.359 -7.096
301 HH11 ARG 41 1HH1 ARG 41 5.235 7.701 -10.235
302 HH12 ARG 41 2HH1 ARG 41 5.322 6.158 -11.019
303 HH21 ARG 41 1HH2 ARG 41 4.663 4.323 -8.118
304 HH22 ARG 41 2HH2 ARG 41 4.996 4.238 -9.815
305 H LEU 42 HN LEU 42 0.728 8.302 -9.282
306 HA LEU 42 HA LEU 42 1.833 9.122 -11.711
307 HB2 LEU 42 2HB LEU 42 -0.335 7.224 -10.938
308 HB3 LEU 42 3HB LEU 42 -0.094 7.607 -12.641
309 HG LEU 42 HG LEU 42 1.954 6.382 -10.792
310 HD11 LEU 42 1HD1 LEU 42 1.662 4.396 -12.218
311 HD12 LEU 42 2HD1 LEU 42 0.337 5.208 -13.050
312 HD13 LEU 42 3HD1 LEU 42 0.194 4.817 -11.336
313 HD21 LEU 42 1HD2 LEU 42 2.060 7.287 -13.649
314 HD22 LEU 42 2HD2 LEU 42 3.112 6.005 -13.052
315 HD23 LEU 42 3HD2 LEU 42 3.191 7.615 -12.337
Start of MODEL 6
1 H1 GLU 1 HN GLU 1 -15.711 -5.508 4.802
2 HA GLU 1 HA GLU 1 -12.946 -5.606 5.369
3 HB2 GLU 1 2HB GLU 1 -14.945 -7.357 4.126
4 HB3 GLU 1 3HB GLU 1 -13.322 -7.566 3.484
5 HG2 GLU 1 2HG GLU 1 -12.702 -8.716 5.266
6 HG3 GLU 1 3HG GLU 1 -13.231 -7.426 6.345
7 H GLU 2 HN GLU 2 -11.397 -4.532 4.356
8 HA GLU 2 HA GLU 2 -11.746 -3.877 1.512
9 HB2 GLU 2 2HB GLU 2 -10.299 -2.563 3.769
10 HB3 GLU 2 3HB GLU 2 -9.688 -2.339 2.136
11 HG2 GLU 2 2HG GLU 2 -12.558 -1.925 2.334
12 HG3 GLU 2 3HG GLU 2 -11.630 -0.836 3.362
13 H GLU 3 HN GLU 3 -9.475 -3.611 0.404
14 HA GLU 3 HA GLU 3 -7.594 -5.680 1.199
15 HB2 GLU 3 2HB GLU 3 -9.024 -5.738 -1.463
16 HB3 GLU 3 3HB GLU 3 -7.640 -6.737 -1.045
17 HG2 GLU 3 2HG GLU 3 -9.233 -7.382 0.988
18 HG3 GLU 3 3HG GLU 3 -10.462 -6.954 -0.201
19 H CYS 4 HN CYS 4 -5.531 -5.375 0.403
20 HA CYS 4 HA CYS 4 -4.595 -2.867 -0.078
21 HB2 CYS 4 2HB CYS 4 -3.211 -4.908 0.381
22 HB3 CYS 4 3HB CYS 4 -3.403 -5.358 -1.310
23 H CYS 5 HN CYS 5 -3.868 -1.725 -1.938
24 HA CYS 5 HA CYS 5 -5.596 -2.155 -4.252
25 HB2 CYS 5 2HB CYS 5 -5.179 0.103 -4.839
26 HB3 CYS 5 3HB CYS 5 -5.379 0.098 -3.091
27 HG CYS 5 HG CYS 5 -3.347 1.728 -3.044
28 H ILE 6 HN ILE 6 -2.213 -2.097 -3.347
29 HA ILE 6 HA ILE 6 -1.276 -2.319 -6.068
30 HB ILE 6 HB ILE 6 0.235 -2.684 -3.479
31 HG12 ILE 6 2HG1 ILE 6 -0.172 -0.290 -5.273
32 HG13 ILE 6 3HG1 ILE 6 -0.593 -0.440 -3.571
33 HG21 ILE 6 1HG2 ILE 6 1.594 -1.915 -5.991
34 HG22 ILE 6 2HG2 ILE 6 2.157 -2.920 -4.657
35 HG23 ILE 6 3HG2 ILE 6 1.049 -3.586 -5.857
36 HD11 ILE 6 1HD1 ILE 6 1.317 0.652 -3.222
37 HD12 ILE 6 2HD1 ILE 6 2.086 -0.908 -3.523
38 HD13 ILE 6 3HD1 ILE 6 1.942 0.271 -4.826
39 H CYS 7 HN CYS 7 -0.818 -4.436 -3.230
40 HA CYS 7 HA CYS 7 -0.228 -6.707 -4.857
41 HB2 CYS 7 2HB CYS 7 -1.051 -6.995 -1.998
42 HB3 CYS 7 3HB CYS 7 0.226 -7.822 -2.884
43 H MET 8 HN MET 8 -3.080 -5.517 -3.182
44 HA MET 8 HA MET 8 -5.186 -6.439 -2.943
45 HB2 MET 8 2HB MET 8 -5.937 -7.058 -5.467
46 HB3 MET 8 3HB MET 8 -5.851 -5.415 -4.846
47 HG2 MET 8 2HG MET 8 -3.702 -5.081 -5.834
48 HG3 MET 8 3HG MET 8 -3.597 -6.779 -6.293
49 HE1 MET 8 1HE MET 8 -3.965 -6.267 -9.735
50 HE2 MET 8 2HE MET 8 -3.300 -4.750 -9.131
51 HE3 MET 8 3HE MET 8 -2.863 -6.274 -8.358
52 H ASP 9 HN ASP 9 -4.511 -8.346 -1.771
53 HA ASP 9 HA ASP 9 -5.322 -10.761 -3.136
54 HB2 ASP 9 2HB ASP 9 -3.357 -11.982 -2.980
55 HB3 ASP 9 3HB ASP 9 -2.747 -10.387 -3.414
56 H GLY 10 HN GLY 10 -4.001 -9.309 -0.185
57 HA2 GLY 10 1HA GLY 10 -5.490 -11.288 1.405
58 HA3 GLY 10 2HA GLY 10 -4.163 -10.299 1.995
59 H ARG 11 HN ARG 11 -4.572 -8.306 2.842
60 HA ARG 11 HA ARG 11 -7.247 -7.173 2.592
61 HB2 ARG 11 2HB ARG 11 -7.153 -6.815 5.173
62 HB3 ARG 11 3HB ARG 11 -7.710 -8.353 4.529
63 HG2 ARG 11 2HG ARG 11 -6.168 -8.587 6.442
64 HG3 ARG 11 3HG ARG 11 -5.584 -9.375 4.975
65 HD2 ARG 11 2HD ARG 11 -3.747 -8.225 5.986
66 HD3 ARG 11 3HD ARG 11 -4.201 -7.355 4.521
67 HE ARG 11 HE ARG 11 -4.683 -5.542 5.816
68 HH11 ARG 11 1HH1 ARG 11 -4.714 -8.384 7.827
69 HH12 ARG 11 2HH1 ARG 11 -4.939 -7.499 9.300
70 HH21 ARG 11 1HH2 ARG 11 -4.979 -4.366 7.747
71 HH22 ARG 11 2HH2 ARG 11 -5.091 -5.213 9.253
72 H ALA 12 HN ALA 12 -7.173 -5.129 4.299
73 HA ALA 12 HA ALA 12 -4.650 -3.711 3.758
74 HB1 ALA 12 1HB ALA 12 -6.070 -1.646 3.405
75 HB2 ALA 12 2HB ALA 12 -6.126 -2.859 2.125
76 HB3 ALA 12 3HB ALA 12 -7.453 -2.734 3.280
77 H ASP 13 HN ASP 13 -3.833 -2.571 5.422
78 HA ASP 13 HA ASP 13 -5.433 -2.462 7.889
79 HB2 ASP 13 2HB ASP 13 -2.976 -3.588 7.531
80 HB3 ASP 13 3HB ASP 13 -2.533 -1.975 8.082
81 H LEU 14 HN LEU 14 -3.654 -0.585 5.578
82 HA LEU 14 HA LEU 14 -4.299 1.851 7.105
83 HB2 LEU 14 2HB LEU 14 -1.812 0.963 5.872
84 HB3 LEU 14 3HB LEU 14 -2.296 2.579 5.360
85 HG LEU 14 HG LEU 14 -2.138 1.849 8.267
86 HD11 LEU 14 1HD1 LEU 14 0.067 1.669 8.172
87 HD12 LEU 14 2HD1 LEU 14 0.155 3.309 7.531
88 HD13 LEU 14 3HD1 LEU 14 0.046 1.936 6.429
89 HD21 LEU 14 1HD2 LEU 14 -3.309 3.913 7.597
90 HD22 LEU 14 2HD2 LEU 14 -1.837 4.468 6.800
91 HD23 LEU 14 3HD2 LEU 14 -1.859 4.235 8.549
92 H ILE 15 HN ILE 15 -6.142 2.515 6.145
93 HA ILE 15 HA ILE 15 -6.276 2.579 3.220
94 HB ILE 15 HB ILE 15 -8.415 2.964 5.313
95 HG12 ILE 15 2HG1 ILE 15 -9.250 0.936 3.733
96 HG13 ILE 15 3HG1 ILE 15 -7.508 0.727 3.594
97 HG21 ILE 15 1HG2 ILE 15 -8.323 3.884 2.596
98 HG22 ILE 15 2HG2 ILE 15 -9.590 2.672 2.787
99 HG23 ILE 15 3HG2 ILE 15 -9.582 4.108 3.811
100 HD11 ILE 15 1HD1 ILE 15 -8.877 0.961 6.250
101 HD12 ILE 15 2HD1 ILE 15 -8.689 -0.579 5.411
102 HD13 ILE 15 3HD1 ILE 15 -7.265 0.343 5.891
103 H LEU 16 HN LEU 16 -4.818 4.353 2.979
104 HA LEU 16 HA LEU 16 -4.810 6.797 4.151
105 HB2 LEU 16 2HB LEU 16 -4.344 5.923 1.341
106 HB3 LEU 16 3HB LEU 16 -4.369 7.648 1.700
107 HG LEU 16 HG LEU 16 -2.564 5.737 3.160
108 HD11 LEU 16 1HD1 LEU 16 -1.175 5.584 1.438
109 HD12 LEU 16 2HD1 LEU 16 -1.222 7.327 1.174
110 HD13 LEU 16 3HD1 LEU 16 -2.435 6.289 0.425
111 HD21 LEU 16 1HD2 LEU 16 -2.893 7.877 4.228
112 HD22 LEU 16 2HD2 LEU 16 -2.534 8.721 2.721
113 HD23 LEU 16 3HD2 LEU 16 -1.269 7.804 3.540
114 HA PRO 17 HA PRO 17 -8.587 8.901 3.400
115 HB2 PRO 17 2HB PRO 17 -7.739 11.458 3.065
116 HB3 PRO 17 3HB PRO 17 -7.736 10.643 4.633
117 HG2 PRO 17 2HG PRO 17 -5.477 11.070 2.715
118 HG3 PRO 17 3HG PRO 17 -5.493 11.238 4.480
119 HD2 PRO 17 2HD PRO 17 -4.494 9.051 3.234
120 HD3 PRO 17 3HD PRO 17 -5.280 8.969 4.825
121 H CYS 18 HN CYS 18 -6.415 8.338 0.990
122 HA CYS 18 HA CYS 18 -7.889 9.888 -1.024
123 HB2 CYS 18 2HB CYS 18 -5.494 10.213 -1.116
124 HB3 CYS 18 3HB CYS 18 -5.220 8.474 -1.162
125 H ALA 19 HN ALA 19 -8.013 6.938 0.381
126 HA ALA 19 HA ALA 19 -9.344 5.139 -0.171
127 HB1 ALA 19 1HB ALA 19 -10.708 5.190 -1.979
128 HB2 ALA 19 2HB ALA 19 -10.225 6.887 -1.988
129 HB3 ALA 19 3HB ALA 19 -9.431 5.739 -3.066
130 H HIS 20 HN HIS 20 -6.334 5.615 -0.631
131 HA HIS 20 HA HIS 20 -5.846 3.259 -2.330
132 HB2 HIS 20 2HB HIS 20 -4.196 5.705 -1.758
133 HB3 HIS 20 3HB HIS 20 -3.438 4.222 -2.331
134 HD2 HIS 20 2HD HIS 20 -5.838 3.526 -4.575
135 HE1 HIS 20 1HE HIS 20 -4.584 7.222 -6.238
136 HE2 HIS 20 2HE HIS 20 -5.899 5.107 -6.621
137 H SER 21 HN SER 21 -6.080 1.669 -0.780
138 HA SER 21 HA SER 21 -4.719 1.826 1.750
139 HB2 SER 21 2HB SER 21 -5.637 -0.830 0.898
140 HB3 SER 21 3HB SER 21 -6.037 0.091 2.348
141 HG SER 21 HG SER 21 -7.517 -0.270 0.180
142 H PHE 22 HN PHE 22 -3.168 0.190 2.470
143 HA PHE 22 HA PHE 22 -1.665 -1.241 0.465
144 HB2 PHE 22 2HB PHE 22 -0.304 0.967 2.022
145 HB3 PHE 22 3HB PHE 22 0.455 -0.118 0.861
146 HD1 PHE 22 1HD PHE 22 -0.164 0.046 -1.550
147 HD2 PHE 22 2HD PHE 22 -1.416 2.922 1.328
148 HE1 PHE 22 1HE PHE 22 -0.655 1.639 -3.360
149 HE2 PHE 22 2HE PHE 22 -1.910 4.518 -0.478
150 HZ PHE 22 HZ PHE 22 -1.529 3.878 -2.825
151 H CYS 23 HN CYS 23 -1.649 -3.150 1.475
152 HA CYS 23 HA CYS 23 -1.701 -3.568 4.237
153 HB2 CYS 23 2HB CYS 23 -1.174 -5.887 3.744
154 HB3 CYS 23 3HB CYS 23 -2.314 -5.275 2.549
155 H GLN 24 HN GLN 24 -0.169 -3.790 5.781
156 HA GLN 24 HA GLN 24 2.181 -2.503 5.803
157 HB2 GLN 24 2HB GLN 24 1.017 -3.914 7.655
158 HB3 GLN 24 3HB GLN 24 2.083 -5.202 7.110
159 HG2 GLN 24 2HG GLN 24 2.923 -3.898 9.057
160 HG3 GLN 24 3HG GLN 24 4.020 -3.957 7.679
161 HE21 GLN 24 1HE2 GLN 24 1.194 -1.959 8.457
162 HE22 GLN 24 2HE2 GLN 24 1.999 -0.443 8.265
163 H LYS 25 HN LYS 25 1.685 -5.754 4.530
164 HA LYS 25 HA LYS 25 4.198 -6.690 4.135
165 HB2 LYS 25 2HB LYS 25 2.230 -6.780 1.866
166 HB3 LYS 25 3HB LYS 25 3.371 -8.015 2.382
167 HG2 LYS 25 2HG LYS 25 1.919 -7.975 4.574
168 HG3 LYS 25 3HG LYS 25 0.698 -7.321 3.479
169 HD2 LYS 25 2HD LYS 25 0.240 -9.405 2.851
170 HD3 LYS 25 3HD LYS 25 1.847 -9.486 2.125
171 HE2 LYS 25 2HE LYS 25 2.780 -10.396 4.127
172 HE3 LYS 25 3HE LYS 25 1.289 -10.103 5.022
173 HZ1 LYS 25 1HZ LYS 25 1.073 -12.307 4.536
174 HZ2 LYS 25 2HZ LYS 25 1.899 -12.197 3.064
175 HZ3 LYS 25 3HZ LYS 25 0.303 -11.649 3.180
176 H CYS 26 HN CYS 26 2.517 -4.797 1.619
177 HA CYS 26 HA CYS 26 4.882 -4.294 0.145
178 HB2 CYS 26 2HB CYS 26 3.422 -2.531 -0.988
179 HB3 CYS 26 3HB CYS 26 2.855 -4.196 -1.066
180 H ILE 27 HN ILE 27 3.007 -2.325 2.422
181 HA ILE 27 HA ILE 27 4.416 0.057 2.216
182 HB ILE 27 HB ILE 27 2.543 -1.098 4.080
183 HG12 ILE 27 2HG1 ILE 27 3.288 1.801 3.669
184 HG13 ILE 27 3HG1 ILE 27 2.286 0.897 2.538
185 HG21 ILE 27 1HG2 ILE 27 4.682 0.646 5.296
186 HG22 ILE 27 2HG2 ILE 27 3.207 0.099 6.092
187 HG23 ILE 27 3HG2 ILE 27 4.443 -1.069 5.627
188 HD11 ILE 27 1HD1 ILE 27 1.551 1.060 5.429
189 HD12 ILE 27 2HD1 ILE 27 1.151 2.367 4.314
190 HD13 ILE 27 3HD1 ILE 27 0.525 0.742 4.031
191 H ASP 28 HN ASP 28 5.372 -2.943 3.608
192 HA ASP 28 HA ASP 28 7.329 -2.006 5.421
193 HB2 ASP 28 2HB ASP 28 6.416 -4.307 5.455
194 HB3 ASP 28 3HB ASP 28 7.246 -4.642 3.937
195 H LYS 29 HN LYS 29 7.678 -3.338 2.131
196 HA LYS 29 HA LYS 29 10.434 -2.744 1.918
197 HB2 LYS 29 2HB LYS 29 9.187 -4.417 0.529
198 HB3 LYS 29 3HB LYS 29 8.454 -3.076 -0.342
199 HG2 LYS 29 2HG LYS 29 10.491 -2.435 -1.301
200 HG3 LYS 29 3HG LYS 29 11.429 -3.402 -0.161
201 HD2 LYS 29 2HD LYS 29 9.490 -4.657 -2.081
202 HD3 LYS 29 3HD LYS 29 11.157 -4.305 -2.541
203 HE2 LYS 29 2HE LYS 29 11.817 -5.606 -0.442
204 HE3 LYS 29 3HE LYS 29 10.150 -6.180 -0.419
205 HZ1 LYS 29 1HZ LYS 29 11.466 -6.428 -2.976
206 HZ2 LYS 29 2HZ LYS 29 10.518 -7.546 -2.133
207 HZ3 LYS 29 3HZ LYS 29 12.156 -7.368 -1.751
208 H TRP 30 HN TRP 30 7.579 -0.852 1.477
209 HA TRP 30 HA TRP 30 9.071 1.262 0.104
210 HB2 TRP 30 2HB TRP 30 6.114 1.045 0.714
211 HB3 TRP 30 3HB TRP 30 6.876 2.326 -0.225
212 HD1 TRP 30 1HD TRP 30 5.111 -0.836 -0.690
213 HE1 TRP 30 1HE TRP 30 5.466 -1.761 -3.065
214 HE3 TRP 30 3HE TRP 30 9.031 2.113 -2.131
215 HZ2 TRP 30 2HZ TRP 30 7.182 -1.303 -5.260
216 HZ3 TRP 30 3HZ TRP 30 9.971 1.805 -4.384
217 HH2 TRP 30 2HH TRP 30 9.065 0.133 -5.914
218 H SER 31 HN SER 31 10.337 2.068 1.771
219 HA SER 31 HA SER 31 9.846 2.565 4.359
220 HB2 SER 31 2HB SER 31 11.641 3.596 2.445
221 HB3 SER 31 3HB SER 31 10.958 4.994 3.274
222 HG SER 31 HG SER 31 12.665 3.055 4.206
223 H ASP 32 HN ASP 32 8.699 3.942 5.633
224 HA ASP 32 HA ASP 32 6.566 5.440 4.318
225 HB2 ASP 32 2HB ASP 32 5.725 5.655 6.729
226 HB3 ASP 32 3HB ASP 32 5.720 4.043 6.019
227 H ARG 33 HN ARG 33 8.584 6.868 3.707
228 HA ARG 33 HA ARG 33 8.848 8.965 5.761
229 HB2 ARG 33 2HB ARG 33 10.769 7.962 3.682
230 HB3 ARG 33 3HB ARG 33 10.926 9.587 4.336
231 HG2 ARG 33 2HG ARG 33 11.598 8.853 6.380
232 HG3 ARG 33 3HG ARG 33 10.681 7.349 6.264
233 HD2 ARG 33 2HD ARG 33 12.973 6.757 6.142
234 HD3 ARG 33 3HD ARG 33 12.327 6.613 4.508
235 HE ARG 33 HE ARG 33 13.470 9.179 4.963
236 HH11 ARG 33 1HH1 ARG 33 14.256 5.860 4.269
237 HH12 ARG 33 2HH1 ARG 33 15.753 6.242 3.484
238 HH21 ARG 33 1HH2 ARG 33 15.438 9.695 3.931
239 HH22 ARG 33 2HH2 ARG 33 16.424 8.424 3.292
240 H HIS 34 HN HIS 34 7.883 8.198 2.544
241 HA HIS 34 HA HIS 34 7.716 11.000 1.752
242 HB2 HIS 34 2HB HIS 34 6.568 8.945 -0.025
243 HB3 HIS 34 3HB HIS 34 7.664 10.273 -0.396
244 HD2 HIS 34 2HD HIS 34 10.372 9.626 -0.375
245 HE1 HIS 34 1HE HIS 34 9.835 5.497 0.440
246 HE2 HIS 34 2HE HIS 34 11.490 7.307 -0.138
247 H ARG 35 HN ARG 35 5.493 11.090 0.202
248 HA ARG 35 HA ARG 35 3.397 11.156 2.204
249 HB2 ARG 35 2HB ARG 35 2.110 12.370 0.498
250 HB3 ARG 35 3HB ARG 35 3.693 13.091 0.753
251 HG2 ARG 35 2HG ARG 35 4.325 11.504 -1.274
252 HG3 ARG 35 3HG ARG 35 2.603 11.687 -1.614
253 HD2 ARG 35 2HD ARG 35 3.157 14.236 -1.188
254 HD3 ARG 35 3HD ARG 35 4.779 13.715 -1.643
255 HE ARG 35 HE ARG 35 2.812 12.812 -3.497
256 HH11 ARG 35 1HH1 ARG 35 4.702 15.577 -2.546
257 HH12 ARG 35 2HH1 ARG 35 4.667 16.305 -4.117
258 HH21 ARG 35 1HH2 ARG 35 2.760 13.761 -5.571
259 HH22 ARG 35 2HH2 ARG 35 3.561 15.272 -5.837
260 H ASN 36 HN ASN 36 4.481 8.648 0.767
261 HA ASN 36 HA ASN 36 3.670 6.776 -0.305
262 HB2 ASN 36 2HB ASN 36 2.591 7.132 2.211
263 HB3 ASN 36 3HB ASN 36 1.173 6.794 1.222
264 HD21 ASN 36 1HD2 ASN 36 4.511 5.612 1.088
265 HD22 ASN 36 2HD2 ASN 36 4.103 3.937 1.207
266 H CYS 37 HN CYS 37 0.913 5.973 -0.539
267 HA CYS 37 HA CYS 37 -0.845 6.094 -1.979
268 HB2 CYS 37 2HB CYS 37 -0.591 8.667 -0.971
269 HB3 CYS 37 3HB CYS 37 -0.628 8.908 -2.715
270 HA PRO 38 HA PRO 38 2.417 6.563 -5.415
271 HB2 PRO 38 2HB PRO 38 3.104 3.946 -5.643
272 HB3 PRO 38 3HB PRO 38 3.949 5.072 -4.573
273 HG2 PRO 38 2HG PRO 38 1.829 3.064 -3.915
274 HG3 PRO 38 3HG PRO 38 3.320 3.446 -3.035
275 HD2 PRO 38 2HD PRO 38 0.898 4.399 -2.284
276 HD3 PRO 38 3HD PRO 38 2.402 5.311 -2.039
277 H ILE 39 HN ILE 39 0.045 6.942 -6.150
278 HA ILE 39 HA ILE 39 -0.462 5.089 -8.293
279 HB ILE 39 HB ILE 39 -2.438 5.370 -6.037
280 HG12 ILE 39 2HG1 ILE 39 -0.956 3.103 -7.336
281 HG13 ILE 39 3HG1 ILE 39 -1.069 3.515 -5.628
282 HG21 ILE 39 1HG2 ILE 39 -3.586 5.790 -8.162
283 HG22 ILE 39 2HG2 ILE 39 -2.956 4.270 -8.796
284 HG23 ILE 39 3HG2 ILE 39 -4.086 4.260 -7.441
285 HD11 ILE 39 1HD1 ILE 39 -3.282 2.379 -7.320
286 HD12 ILE 39 2HD1 ILE 39 -2.319 1.500 -6.133
287 HD13 ILE 39 3HD1 ILE 39 -3.398 2.792 -5.610
288 H CYS 40 HN CYS 40 -1.646 7.856 -6.424
289 HA CYS 40 HA CYS 40 -2.866 8.992 -8.824
290 HB2 CYS 40 2HB CYS 40 -3.550 10.814 -7.125
291 HB3 CYS 40 3HB CYS 40 -4.310 9.231 -6.995
292 H ARG 41 HN ARG 41 -0.172 9.464 -6.650
293 HA ARG 41 HA ARG 41 0.579 12.059 -7.233
294 HB2 ARG 41 2HB ARG 41 2.784 11.471 -6.507
295 HB3 ARG 41 3HB ARG 41 1.641 10.544 -5.542
296 HG2 ARG 41 2HG ARG 41 2.305 8.562 -6.405
297 HG3 ARG 41 3HG ARG 41 2.665 9.247 -7.991
298 HD2 ARG 41 2HD ARG 41 4.813 9.063 -7.401
299 HD3 ARG 41 3HD ARG 41 4.517 10.463 -6.372
300 HE ARG 41 HE ARG 41 3.824 8.078 -5.018
301 HH11 ARG 41 1HH1 ARG 41 6.577 9.930 -6.071
302 HH12 ARG 41 2HH1 ARG 41 7.617 9.344 -4.816
303 HH21 ARG 41 1HH2 ARG 41 5.183 7.298 -3.360
304 HH22 ARG 41 2HH2 ARG 41 6.823 7.846 -3.274
305 H LEU 42 HN LEU 42 0.653 9.276 -9.257
306 HA LEU 42 HA LEU 42 2.004 10.854 -11.343
307 HB2 LEU 42 2HB LEU 42 3.358 9.138 -11.965
308 HB3 LEU 42 3HB LEU 42 3.238 8.810 -10.238
309 HG LEU 42 HG LEU 42 1.308 7.221 -10.923
310 HD11 LEU 42 1HD1 LEU 42 0.845 7.110 -13.088
311 HD12 LEU 42 2HD1 LEU 42 2.444 6.414 -13.352
312 HD13 LEU 42 3HD1 LEU 42 2.208 8.156 -13.482
313 HD21 LEU 42 1HD2 LEU 42 3.190 5.520 -11.668
314 HD22 LEU 42 2HD2 LEU 42 3.084 6.118 -10.012
315 HD23 LEU 42 3HD2 LEU 42 4.246 6.830 -11.135
Start of MODEL 7
1 H1 GLU 1 HN GLU 1 -14.104 -4.002 6.159
2 HA GLU 1 HA GLU 1 -13.899 -5.545 4.227
3 HB2 GLU 1 2HB GLU 1 -15.853 -3.312 3.663
4 HB3 GLU 1 3HB GLU 1 -15.963 -4.979 3.114
5 HG2 GLU 1 2HG GLU 1 -15.994 -5.561 5.628
6 HG3 GLU 1 3HG GLU 1 -16.407 -3.862 5.849
7 H GLU 2 HN GLU 2 -11.629 -4.352 3.715
8 HA GLU 2 HA GLU 2 -11.866 -3.581 0.903
9 HB2 GLU 2 2HB GLU 2 -9.954 -2.097 2.680
10 HB3 GLU 2 3HB GLU 2 -10.537 -1.659 1.081
11 HG2 GLU 2 2HG GLU 2 -11.705 -0.195 2.384
12 HG3 GLU 2 3HG GLU 2 -12.852 -1.530 2.278
13 H GLU 3 HN GLU 3 -9.556 -3.460 -0.079
14 HA GLU 3 HA GLU 3 -7.720 -5.361 1.152
15 HB2 GLU 3 2HB GLU 3 -9.047 -5.763 -1.525
16 HB3 GLU 3 3HB GLU 3 -7.538 -6.555 -1.094
17 HG2 GLU 3 2HG GLU 3 -8.531 -7.956 0.397
18 HG3 GLU 3 3HG GLU 3 -9.820 -6.815 0.781
19 H CYS 4 HN CYS 4 -5.590 -5.246 0.356
20 HA CYS 4 HA CYS 4 -4.452 -2.872 -0.104
21 HB2 CYS 4 2HB CYS 4 -3.235 -5.041 0.145
22 HB3 CYS 4 3HB CYS 4 -3.564 -5.375 -1.552
23 H CYS 5 HN CYS 5 -3.700 -1.668 -1.915
24 HA CYS 5 HA CYS 5 -5.432 -1.960 -4.276
25 HB2 CYS 5 2HB CYS 5 -5.440 0.171 -2.764
26 HB3 CYS 5 3HB CYS 5 -3.951 0.563 -3.616
27 HG CYS 5 HG CYS 5 -7.063 0.200 -4.983
28 H ILE 6 HN ILE 6 -2.831 -3.303 -3.732
29 HA ILE 6 HA ILE 6 -1.512 -2.493 -6.222
30 HB ILE 6 HB ILE 6 -0.021 -3.051 -3.655
31 HG12 ILE 6 2HG1 ILE 6 -0.413 -0.485 -5.208
32 HG13 ILE 6 3HG1 ILE 6 -1.055 -0.846 -3.609
33 HG21 ILE 6 1HG2 ILE 6 1.017 -2.245 -6.369
34 HG22 ILE 6 2HG2 ILE 6 1.981 -2.523 -4.919
35 HG23 ILE 6 3HG2 ILE 6 1.120 -3.863 -5.675
36 HD11 ILE 6 1HD1 ILE 6 1.450 -1.166 -2.985
37 HD12 ILE 6 2HD1 ILE 6 1.730 -0.194 -4.429
38 HD13 ILE 6 3HD1 ILE 6 0.763 0.452 -3.105
39 H CYS 7 HN CYS 7 -0.901 -4.846 -3.611
40 HA CYS 7 HA CYS 7 -0.426 -6.925 -5.570
41 HB2 CYS 7 2HB CYS 7 0.224 -8.300 -3.673
42 HB3 CYS 7 3HB CYS 7 0.994 -6.721 -3.552
43 H MET 8 HN MET 8 -2.943 -5.929 -3.382
44 HA MET 8 HA MET 8 -5.032 -6.722 -2.949
45 HB2 MET 8 2HB MET 8 -5.255 -8.295 -5.418
46 HB3 MET 8 3HB MET 8 -6.262 -6.982 -4.823
47 HG2 MET 8 2HG MET 8 -4.286 -5.469 -5.509
48 HG3 MET 8 3HG MET 8 -3.774 -6.853 -6.471
49 HE1 MET 8 1HE MET 8 -5.706 -6.590 -9.589
50 HE2 MET 8 2HE MET 8 -4.088 -6.349 -8.929
51 HE3 MET 8 3HE MET 8 -5.007 -7.795 -8.506
52 H ASP 9 HN ASP 9 -2.956 -8.279 -1.892
53 HA ASP 9 HA ASP 9 -4.342 -10.816 -1.618
54 HB2 ASP 9 2HB ASP 9 -2.125 -12.052 -1.884
55 HB3 ASP 9 3HB ASP 9 -2.886 -11.469 -3.362
56 H GLY 10 HN GLY 10 -3.809 -8.478 0.061
57 HA2 GLY 10 1HA GLY 10 -2.771 -9.922 2.363
58 HA3 GLY 10 2HA GLY 10 -1.859 -8.497 1.886
59 H ARG 11 HN ARG 11 -5.291 -8.555 1.415
60 HA ARG 11 HA ARG 11 -6.948 -7.231 2.247
61 HB2 ARG 11 2HB ARG 11 -5.523 -8.265 4.655
62 HB3 ARG 11 3HB ARG 11 -6.742 -7.019 4.884
63 HG2 ARG 11 2HG ARG 11 -8.398 -8.473 4.630
64 HG3 ARG 11 3HG ARG 11 -7.692 -9.127 3.150
65 HD2 ARG 11 2HD ARG 11 -7.679 -10.959 4.565
66 HD3 ARG 11 3HD ARG 11 -6.047 -10.319 4.752
67 HE ARG 11 HE ARG 11 -6.523 -9.863 6.940
68 HH11 ARG 11 1HH1 ARG 11 -9.508 -10.342 5.212
69 HH12 ARG 11 2HH1 ARG 11 -10.492 -10.292 6.636
70 HH21 ARG 11 1HH2 ARG 11 -7.809 -9.794 8.822
71 HH22 ARG 11 2HH2 ARG 11 -9.525 -9.978 8.690
72 H ALA 12 HN ALA 12 -7.326 -5.275 3.880
73 HA ALA 12 HA ALA 12 -5.151 -3.354 3.369
74 HB1 ALA 12 1HB ALA 12 -7.106 -1.659 3.559
75 HB2 ALA 12 2HB ALA 12 -6.898 -2.578 2.069
76 HB3 ALA 12 3HB ALA 12 -8.123 -3.063 3.240
77 H ASP 13 HN ASP 13 -4.055 -3.315 5.263
78 HA ASP 13 HA ASP 13 -5.481 -3.235 7.792
79 HB2 ASP 13 2HB ASP 13 -2.999 -4.211 7.008
80 HB3 ASP 13 3HB ASP 13 -2.609 -2.768 7.940
81 H LEU 14 HN LEU 14 -4.482 -1.019 5.498
82 HA LEU 14 HA LEU 14 -4.886 1.179 7.365
83 HB2 LEU 14 2HB LEU 14 -2.318 0.423 6.540
84 HB3 LEU 14 3HB LEU 14 -2.722 1.852 5.590
85 HG LEU 14 HG LEU 14 -3.234 2.043 8.492
86 HD11 LEU 14 1HD1 LEU 14 -1.221 1.368 9.145
87 HD12 LEU 14 2HD1 LEU 14 -0.553 2.742 8.265
88 HD13 LEU 14 3HD1 LEU 14 -0.676 1.169 7.479
89 HD21 LEU 14 1HD2 LEU 14 -1.865 3.869 6.520
90 HD22 LEU 14 2HD2 LEU 14 -2.400 4.286 8.148
91 HD23 LEU 14 3HD2 LEU 14 -3.587 3.896 6.901
92 H ILE 15 HN ILE 15 -6.378 2.440 6.495
93 HA ILE 15 HA ILE 15 -6.578 2.581 3.562
94 HB ILE 15 HB ILE 15 -8.672 3.098 5.673
95 HG12 ILE 15 2HG1 ILE 15 -7.829 0.718 4.513
96 HG13 ILE 15 3HG1 ILE 15 -9.357 0.985 5.347
97 HG21 ILE 15 1HG2 ILE 15 -8.802 3.413 2.679
98 HG22 ILE 15 2HG2 ILE 15 -10.213 3.383 3.736
99 HG23 ILE 15 3HG2 ILE 15 -9.017 4.669 3.899
100 HD11 ILE 15 1HD1 ILE 15 -8.941 1.384 2.396
101 HD12 ILE 15 2HD1 ILE 15 -9.597 -0.078 3.132
102 HD13 ILE 15 3HD1 ILE 15 -10.468 1.448 3.277
103 H LEU 16 HN LEU 16 -5.348 4.283 2.960
104 HA LEU 16 HA LEU 16 -4.943 6.636 4.423
105 HB2 LEU 16 2HB LEU 16 -4.586 5.850 1.569
106 HB3 LEU 16 3HB LEU 16 -4.437 7.549 2.013
107 HG LEU 16 HG LEU 16 -2.800 5.346 3.260
108 HD11 LEU 16 1HD1 LEU 16 -1.735 5.240 1.303
109 HD12 LEU 16 2HD1 LEU 16 -1.107 6.838 1.702
110 HD13 LEU 16 3HD1 LEU 16 -2.538 6.684 0.684
111 HD21 LEU 16 1HD2 LEU 16 -2.427 8.338 3.222
112 HD22 LEU 16 2HD2 LEU 16 -1.406 7.160 4.045
113 HD23 LEU 16 3HD2 LEU 16 -3.068 7.412 4.578
114 HA PRO 17 HA PRO 17 -8.507 9.114 3.781
115 HB2 PRO 17 2HB PRO 17 -7.435 11.586 3.458
116 HB3 PRO 17 3HB PRO 17 -7.470 10.750 5.015
117 HG2 PRO 17 2HG PRO 17 -5.228 10.995 3.046
118 HG3 PRO 17 3HG PRO 17 -5.186 11.137 4.813
119 HD2 PRO 17 2HD PRO 17 -4.425 8.887 3.513
120 HD3 PRO 17 3HD PRO 17 -5.175 8.853 5.122
121 H CYS 18 HN CYS 18 -6.457 8.390 1.309
122 HA CYS 18 HA CYS 18 -7.843 10.092 -0.645
123 HB2 CYS 18 2HB CYS 18 -5.393 10.184 -0.719
124 HB3 CYS 18 3HB CYS 18 -5.326 8.439 -0.946
125 H ALA 19 HN ALA 19 -8.250 7.187 0.731
126 HA ALA 19 HA ALA 19 -9.644 5.451 0.190
127 HB1 ALA 19 1HB ALA 19 -9.843 6.454 -2.628
128 HB2 ALA 19 2HB ALA 19 -11.016 5.523 -1.696
129 HB3 ALA 19 3HB ALA 19 -10.733 7.221 -1.312
130 H HIS 20 HN HIS 20 -6.689 5.614 -0.287
131 HA HIS 20 HA HIS 20 -6.466 3.372 -2.189
132 HB2 HIS 20 2HB HIS 20 -4.685 5.723 -1.683
133 HB3 HIS 20 3HB HIS 20 -3.967 4.207 -2.221
134 HD2 HIS 20 2HD HIS 20 -6.090 3.360 -4.526
135 HE1 HIS 20 1HE HIS 20 -5.335 7.220 -6.119
136 HE2 HIS 20 2HE HIS 20 -6.320 4.944 -6.559
137 H SER 21 HN SER 21 -6.657 1.696 -0.754
138 HA SER 21 HA SER 21 -5.318 1.623 1.760
139 HB2 SER 21 2HB SER 21 -6.217 -0.546 2.012
140 HB3 SER 21 3HB SER 21 -7.418 0.319 1.053
141 HG SER 21 HG SER 21 -6.051 -0.629 -0.785
142 H PHE 22 HN PHE 22 -3.716 -0.040 2.360
143 HA PHE 22 HA PHE 22 -2.066 -1.188 0.315
144 HB2 PHE 22 2HB PHE 22 -0.941 1.081 1.968
145 HB3 PHE 22 3HB PHE 22 -0.015 0.051 0.881
146 HD1 PHE 22 1HD PHE 22 -2.063 2.973 1.177
147 HD2 PHE 22 2HD PHE 22 -0.554 0.102 -1.580
148 HE1 PHE 22 1HE PHE 22 -2.549 4.509 -0.683
149 HE2 PHE 22 2HE PHE 22 -1.037 1.634 -3.444
150 HZ PHE 22 HZ PHE 22 -2.034 3.841 -2.997
151 H CYS 23 HN CYS 23 -2.074 -3.142 1.276
152 HA CYS 23 HA CYS 23 -2.145 -3.774 3.942
153 HB2 CYS 23 2HB CYS 23 -1.358 -5.956 3.359
154 HB3 CYS 23 3HB CYS 23 -2.316 -5.370 2.002
155 H GLN 24 HN GLN 24 -0.470 -4.630 5.378
156 HA GLN 24 HA GLN 24 1.560 -2.813 5.888
157 HB2 GLN 24 2HB GLN 24 1.024 -5.616 6.778
158 HB3 GLN 24 3HB GLN 24 2.556 -4.865 7.199
159 HG2 GLN 24 2HG GLN 24 -0.014 -3.455 7.763
160 HG3 GLN 24 3HG GLN 24 0.564 -4.725 8.840
161 HE21 GLN 24 1HE2 GLN 24 1.114 -1.527 7.616
162 HE22 GLN 24 2HE2 GLN 24 2.311 -1.066 8.773
163 H LYS 25 HN LYS 25 1.888 -6.069 4.473
164 HA LYS 25 HA LYS 25 4.525 -6.273 4.009
165 HB2 LYS 25 2HB LYS 25 2.141 -7.262 2.698
166 HB3 LYS 25 3HB LYS 25 3.435 -7.010 1.534
167 HG2 LYS 25 2HG LYS 25 3.526 -8.724 4.005
168 HG3 LYS 25 3HG LYS 25 3.529 -9.266 2.325
169 HD2 LYS 25 2HD LYS 25 5.668 -7.726 2.194
170 HD3 LYS 25 3HD LYS 25 5.711 -8.028 3.932
171 HE2 LYS 25 2HE LYS 25 5.370 -10.312 2.037
172 HE3 LYS 25 3HE LYS 25 6.971 -9.618 2.286
173 HZ1 LYS 25 1HZ LYS 25 5.723 -10.030 4.778
174 HZ2 LYS 25 2HZ LYS 25 7.146 -10.722 4.181
175 HZ3 LYS 25 3HZ LYS 25 5.655 -11.467 3.886
176 H CYS 26 HN CYS 26 2.364 -4.759 1.601
177 HA CYS 26 HA CYS 26 4.426 -3.695 0.023
178 HB2 CYS 26 2HB CYS 26 1.546 -2.832 0.339
179 HB3 CYS 26 3HB CYS 26 2.631 -2.202 -0.897
180 H ILE 27 HN ILE 27 2.730 -2.428 2.821
181 HA ILE 27 HA ILE 27 3.699 0.234 2.619
182 HB ILE 27 HB ILE 27 2.092 -1.285 4.482
183 HG12 ILE 27 2HG1 ILE 27 2.376 1.710 4.269
184 HG13 ILE 27 3HG1 ILE 27 1.527 0.763 3.052
185 HG21 ILE 27 1HG2 ILE 27 2.687 -0.086 6.524
186 HG22 ILE 27 2HG2 ILE 27 4.032 -1.071 5.949
187 HG23 ILE 27 3HG2 ILE 27 4.043 0.673 5.689
188 HD11 ILE 27 1HD1 ILE 27 0.623 1.688 5.620
189 HD12 ILE 27 2HD1 ILE 27 -0.296 0.994 4.283
190 HD13 ILE 27 3HD1 ILE 27 0.452 -0.063 5.481
191 H ASP 28 HN ASP 28 5.136 -2.701 3.615
192 HA ASP 28 HA ASP 28 7.177 -1.395 5.232
193 HB2 ASP 28 2HB ASP 28 6.080 -3.725 5.675
194 HB3 ASP 28 3HB ASP 28 7.234 -4.297 4.474
195 H LYS 29 HN LYS 29 6.813 -2.992 2.118
196 HA LYS 29 HA LYS 29 9.600 -2.924 1.473
197 HB2 LYS 29 2HB LYS 29 7.174 -3.941 0.292
198 HB3 LYS 29 3HB LYS 29 8.110 -3.069 -0.913
199 HG2 LYS 29 2HG LYS 29 9.764 -4.602 -0.939
200 HG3 LYS 29 3HG LYS 29 9.617 -4.950 0.785
201 HD2 LYS 29 2HD LYS 29 8.671 -6.872 0.123
202 HD3 LYS 29 3HD LYS 29 7.241 -5.887 -0.199
203 HE2 LYS 29 2HE LYS 29 9.412 -6.487 -2.206
204 HE3 LYS 29 3HE LYS 29 7.877 -7.349 -2.096
205 HZ1 LYS 29 1HZ LYS 29 7.575 -4.495 -2.246
206 HZ2 LYS 29 2HZ LYS 29 6.810 -5.711 -3.139
207 HZ3 LYS 29 3HZ LYS 29 8.336 -5.152 -3.608
208 H TRP 30 HN TRP 30 6.887 -1.286 -0.163
209 HA TRP 30 HA TRP 30 8.452 0.604 -1.487
210 HB2 TRP 30 2HB TRP 30 5.557 0.746 -0.621
211 HB3 TRP 30 3HB TRP 30 6.318 1.896 -1.718
212 HD1 TRP 30 1HD TRP 30 4.342 -1.176 -1.782
213 HE1 TRP 30 1HE TRP 30 4.451 -2.303 -4.093
214 HE3 TRP 30 3HE TRP 30 8.291 1.402 -3.758
215 HZ2 TRP 30 2HZ TRP 30 6.006 -2.124 -6.442
216 HZ3 TRP 30 3HZ TRP 30 9.026 0.862 -6.042
217 HH2 TRP 30 2HH TRP 30 7.907 -0.864 -7.356
218 H SER 31 HN SER 31 6.407 1.163 1.388
219 HA SER 31 HA SER 31 6.666 2.547 3.180
220 HB2 SER 31 2HB SER 31 9.219 1.704 2.682
221 HB3 SER 31 3HB SER 31 9.397 3.453 2.550
222 HG SER 31 HG SER 31 8.949 1.900 4.758
223 H ASP 32 HN ASP 32 5.348 3.608 1.135
224 HA ASP 32 HA ASP 32 6.506 6.117 0.295
225 HB2 ASP 32 2HB ASP 32 4.020 4.600 -0.286
226 HB3 ASP 32 3HB ASP 32 3.943 6.349 -0.474
227 H ARG 33 HN ARG 33 6.803 7.442 2.030
228 HA ARG 33 HA ARG 33 4.378 8.204 3.521
229 HB2 ARG 33 2HB ARG 33 7.202 7.817 4.464
230 HB3 ARG 33 3HB ARG 33 6.116 8.902 5.323
231 HG2 ARG 33 2HG ARG 33 4.791 7.201 6.084
232 HG3 ARG 33 3HG ARG 33 5.185 6.142 4.729
233 HD2 ARG 33 2HD ARG 33 6.280 5.175 6.553
234 HD3 ARG 33 3HD ARG 33 7.545 6.067 5.710
235 HE ARG 33 HE ARG 33 6.325 7.633 7.753
236 HH11 ARG 33 1HH1 ARG 33 8.647 5.105 7.182
237 HH12 ARG 33 2HH1 ARG 33 9.570 5.451 8.607
238 HH21 ARG 33 1HH2 ARG 33 7.530 8.099 9.632
239 HH22 ARG 33 2HH2 ARG 33 8.933 7.154 10.001
240 H HIS 34 HN HIS 34 5.093 9.404 1.100
241 HA HIS 34 HA HIS 34 6.367 11.936 1.811
242 HB2 HIS 34 2HB HIS 34 5.663 10.595 -0.777
243 HB3 HIS 34 3HB HIS 34 5.938 12.333 -0.741
244 HD2 HIS 34 2HD HIS 34 7.925 9.147 -1.108
245 HE1 HIS 34 1HE HIS 34 10.710 12.139 0.031
246 HE2 HIS 34 2HE HIS 34 10.413 9.834 -0.940
247 H ARG 35 HN ARG 35 3.606 11.035 2.648
248 HA ARG 35 HA ARG 35 1.672 12.147 3.152
249 HB2 ARG 35 2HB ARG 35 3.275 14.205 2.842
250 HB3 ARG 35 3HB ARG 35 2.380 14.425 1.344
251 HG2 ARG 35 2HG ARG 35 1.073 15.698 2.661
252 HG3 ARG 35 3HG ARG 35 0.329 14.144 3.041
253 HD2 ARG 35 2HD ARG 35 1.879 13.953 4.982
254 HD3 ARG 35 3HD ARG 35 2.441 15.588 4.633
255 HE ARG 35 HE ARG 35 -0.056 14.829 5.859
256 HH11 ARG 35 1HH1 ARG 35 1.690 17.314 4.158
257 HH12 ARG 35 2HH1 ARG 35 0.690 18.601 4.744
258 HH21 ARG 35 1HH2 ARG 35 -1.380 16.515 6.639
259 HH22 ARG 35 2HH2 ARG 35 -1.056 18.146 6.157
260 H ASN 36 HN ASN 36 2.531 10.848 0.361
261 HA ASN 36 HA ASN 36 -0.131 11.232 -0.820
262 HB2 ASN 36 2HB ASN 36 1.831 10.701 -2.868
263 HB3 ASN 36 3HB ASN 36 0.687 12.035 -2.744
264 HD21 ASN 36 1HD2 ASN 36 3.909 11.148 -2.694
265 HD22 ASN 36 2HD2 ASN 36 4.578 12.623 -2.094
266 H CYS 37 HN CYS 37 -0.022 9.503 -2.893
267 HA CYS 37 HA CYS 37 0.625 6.924 -1.619
268 HB2 CYS 37 2HB CYS 37 -1.385 6.580 -3.610
269 HB3 CYS 37 3HB CYS 37 -1.507 6.310 -1.875
270 HA PRO 38 HA PRO 38 3.106 5.921 -5.101
271 HB2 PRO 38 2HB PRO 38 2.810 3.223 -5.168
272 HB3 PRO 38 3HB PRO 38 3.763 4.055 -3.933
273 HG2 PRO 38 2HG PRO 38 0.964 3.006 -3.778
274 HG3 PRO 38 3HG PRO 38 2.267 2.898 -2.580
275 HD2 PRO 38 2HD PRO 38 0.269 4.717 -2.401
276 HD3 PRO 38 3HD PRO 38 1.913 5.044 -1.818
277 H ILE 39 HN ILE 39 -0.196 5.786 -5.175
278 HA ILE 39 HA ILE 39 -0.228 4.863 -7.974
279 HB ILE 39 HB ILE 39 -2.627 4.895 -6.154
280 HG12 ILE 39 2HG1 ILE 39 -0.603 2.710 -6.632
281 HG13 ILE 39 3HG1 ILE 39 -1.139 3.374 -5.093
282 HG21 ILE 39 1HG2 ILE 39 -3.225 4.860 -8.455
283 HG22 ILE 39 2HG2 ILE 39 -2.024 3.620 -8.813
284 HG23 ILE 39 3HG2 ILE 39 -3.440 3.222 -7.841
285 HD11 ILE 39 1HD1 ILE 39 -2.450 1.394 -6.869
286 HD12 ILE 39 2HD1 ILE 39 -2.286 1.411 -5.112
287 HD13 ILE 39 3HD1 ILE 39 -3.468 2.457 -5.900
288 H CYS 40 HN CYS 40 -0.305 7.559 -6.118
289 HA CYS 40 HA CYS 40 -2.099 8.988 -7.969
290 HB2 CYS 40 2HB CYS 40 -1.560 9.290 -5.056
291 HB3 CYS 40 3HB CYS 40 -1.880 10.755 -5.981
292 H ARG 41 HN ARG 41 1.106 8.529 -7.052
293 HA ARG 41 HA ARG 41 2.185 11.109 -7.397
294 HB2 ARG 41 2HB ARG 41 4.332 9.901 -7.808
295 HB3 ARG 41 3HB ARG 41 3.503 9.404 -6.339
296 HG2 ARG 41 2HG ARG 41 3.753 7.315 -7.037
297 HG3 ARG 41 3HG ARG 41 2.544 7.670 -8.273
298 HD2 ARG 41 2HD ARG 41 4.172 7.052 -9.697
299 HD3 ARG 41 3HD ARG 41 4.763 8.692 -9.432
300 HE ARG 41 HE ARG 41 5.954 7.284 -7.456
301 HH11 ARG 41 1HH1 ARG 41 5.734 6.845 -10.903
302 HH12 ARG 41 2HH1 ARG 41 7.271 6.055 -11.032
303 HH21 ARG 41 1HH2 ARG 41 7.979 6.246 -7.613
304 HH22 ARG 41 2HH2 ARG 41 8.546 5.714 -9.161
305 H LEU 42 HN LEU 42 0.762 9.008 -9.619
306 HA LEU 42 HA LEU 42 2.197 10.199 -11.887
307 HB2 LEU 42 2HB LEU 42 0.885 8.418 -13.178
308 HB3 LEU 42 3HB LEU 42 2.222 7.897 -12.156
309 HG LEU 42 HG LEU 42 -0.541 7.851 -11.037
310 HD11 LEU 42 1HD1 LEU 42 -1.283 6.106 -12.237
311 HD12 LEU 42 2HD1 LEU 42 0.320 5.382 -12.369
312 HD13 LEU 42 3HD1 LEU 42 -0.148 6.691 -13.454
313 HD21 LEU 42 1HD2 LEU 42 0.842 5.555 -10.373
314 HD22 LEU 42 2HD2 LEU 42 0.678 7.001 -9.376
315 HD23 LEU 42 3HD2 LEU 42 2.092 6.799 -10.412
Start of MODEL 8
1 H1 GLU 1 HN GLU 1 -10.405 -6.122 7.560
2 HA GLU 1 HA GLU 1 -11.745 -4.480 6.156
3 HB2 GLU 1 2HB GLU 1 -10.000 -4.007 8.267
4 HB3 GLU 1 3HB GLU 1 -9.532 -2.819 7.059
5 HG2 GLU 1 2HG GLU 1 -12.343 -3.211 8.054
6 HG3 GLU 1 3HG GLU 1 -11.219 -2.005 8.678
7 H GLU 2 HN GLU 2 -11.804 -4.061 4.053
8 HA GLU 2 HA GLU 2 -11.183 -3.509 1.934
9 HB2 GLU 2 2HB GLU 2 -9.317 -1.871 3.617
10 HB3 GLU 2 3HB GLU 2 -9.165 -1.855 1.866
11 HG2 GLU 2 2HG GLU 2 -11.862 -1.399 2.995
12 HG3 GLU 2 3HG GLU 2 -10.668 -0.118 3.194
13 H GLU 3 HN GLU 3 -9.039 -3.304 0.472
14 HA GLU 3 HA GLU 3 -7.182 -5.454 1.186
15 HB2 GLU 3 2HB GLU 3 -8.655 -5.299 -1.450
16 HB3 GLU 3 3HB GLU 3 -7.398 -6.460 -1.044
17 HG2 GLU 3 2HG GLU 3 -8.947 -7.125 0.902
18 HG3 GLU 3 3HG GLU 3 -10.197 -6.277 -0.009
19 H CYS 4 HN CYS 4 -5.125 -5.183 0.445
20 HA CYS 4 HA CYS 4 -4.028 -2.767 -0.007
21 HB2 CYS 4 2HB CYS 4 -2.767 -4.901 0.284
22 HB3 CYS 4 3HB CYS 4 -3.092 -5.280 -1.405
23 H CYS 5 HN CYS 5 -3.612 -1.387 -1.689
24 HA CYS 5 HA CYS 5 -5.336 -1.664 -4.003
25 HB2 CYS 5 2HB CYS 5 -4.056 0.517 -2.578
26 HB3 CYS 5 3HB CYS 5 -3.809 0.655 -4.315
27 HG CYS 5 HG CYS 5 -6.759 0.672 -2.608
28 H ILE 6 HN ILE 6 -2.000 -2.038 -3.192
29 HA ILE 6 HA ILE 6 -1.117 -1.944 -5.959
30 HB ILE 6 HB ILE 6 0.539 -2.799 -3.595
31 HG12 ILE 6 2HG1 ILE 6 -0.237 -0.044 -4.510
32 HG13 ILE 6 3HG1 ILE 6 -0.217 -0.699 -2.876
33 HG21 ILE 6 1HG2 ILE 6 1.447 -1.366 -6.069
34 HG22 ILE 6 2HG2 ILE 6 2.398 -2.312 -4.926
35 HG23 ILE 6 3HG2 ILE 6 1.280 -3.121 -6.023
36 HD11 ILE 6 1HD1 ILE 6 2.376 -0.871 -3.388
37 HD12 ILE 6 2HD1 ILE 6 1.978 0.446 -4.492
38 HD13 ILE 6 3HD1 ILE 6 1.629 0.604 -2.771
39 H CYS 7 HN CYS 7 -0.544 -4.347 -3.391
40 HA CYS 7 HA CYS 7 -0.591 -6.456 -5.410
41 HB2 CYS 7 2HB CYS 7 0.523 -7.829 -3.839
42 HB3 CYS 7 3HB CYS 7 1.247 -6.235 -3.653
43 H MET 8 HN MET 8 -3.080 -5.331 -4.935
44 HA MET 8 HA MET 8 -4.797 -6.184 -3.086
45 HB2 MET 8 2HB MET 8 -6.526 -6.430 -4.837
46 HB3 MET 8 3HB MET 8 -5.550 -4.984 -5.053
47 HG2 MET 8 2HG MET 8 -4.157 -6.437 -6.661
48 HG3 MET 8 3HG MET 8 -5.555 -7.509 -6.650
49 HE1 MET 8 1HE MET 8 -6.124 -7.623 -8.712
50 HE2 MET 8 2HE MET 8 -7.695 -6.823 -8.751
51 HE3 MET 8 3HE MET 8 -6.441 -6.364 -9.905
52 H ASP 9 HN ASP 9 -4.272 -8.070 -2.022
53 HA ASP 9 HA ASP 9 -5.144 -10.513 -3.332
54 HB2 ASP 9 2HB ASP 9 -3.181 -11.695 -3.215
55 HB3 ASP 9 3HB ASP 9 -2.528 -10.084 -3.505
56 H GLY 10 HN GLY 10 -3.847 -9.009 -0.394
57 HA2 GLY 10 1HA GLY 10 -5.399 -10.930 1.212
58 HA3 GLY 10 2HA GLY 10 -4.045 -9.975 1.800
59 H ARG 11 HN ARG 11 -4.612 -8.406 3.135
60 HA ARG 11 HA ARG 11 -7.254 -7.149 2.771
61 HB2 ARG 11 2HB ARG 11 -5.709 -7.403 5.356
62 HB3 ARG 11 3HB ARG 11 -7.343 -6.785 5.159
63 HG2 ARG 11 2HG ARG 11 -8.005 -8.842 5.694
64 HG3 ARG 11 3HG ARG 11 -7.519 -9.287 4.057
65 HD2 ARG 11 2HD ARG 11 -6.117 -10.742 4.995
66 HD3 ARG 11 3HD ARG 11 -5.157 -9.351 5.498
67 HE ARG 11 HE ARG 11 -5.711 -9.888 7.634
68 HH11 ARG 11 1HH1 ARG 11 -8.270 -10.982 5.544
69 HH12 ARG 11 2HH1 ARG 11 -9.209 -11.662 6.832
70 HH21 ARG 11 1HH2 ARG 11 -6.937 -10.779 9.339
71 HH22 ARG 11 2HH2 ARG 11 -8.450 -11.544 8.990
72 H ALA 12 HN ALA 12 -6.989 -5.019 4.471
73 HA ALA 12 HA ALA 12 -4.661 -3.525 3.480
74 HB1 ALA 12 1HB ALA 12 -6.102 -2.555 2.036
75 HB2 ALA 12 2HB ALA 12 -7.517 -2.945 3.014
76 HB3 ALA 12 3HB ALA 12 -6.498 -1.571 3.445
77 H ASP 13 HN ASP 13 -3.595 -3.335 5.384
78 HA ASP 13 HA ASP 13 -4.784 -2.964 7.904
79 HB2 ASP 13 2HB ASP 13 -2.527 -3.787 7.758
80 HB3 ASP 13 3HB ASP 13 -2.000 -2.335 6.913
81 H LEU 14 HN LEU 14 -3.531 -0.662 5.533
82 HA LEU 14 HA LEU 14 -4.709 1.513 7.134
83 HB2 LEU 14 2HB LEU 14 -2.177 1.316 5.605
84 HB3 LEU 14 3HB LEU 14 -3.024 2.861 5.571
85 HG LEU 14 HG LEU 14 -2.923 2.144 8.269
86 HD11 LEU 14 1HD1 LEU 14 -1.275 0.481 7.955
87 HD12 LEU 14 2HD1 LEU 14 -0.428 1.909 8.552
88 HD13 LEU 14 3HD1 LEU 14 -0.359 1.495 6.839
89 HD21 LEU 14 1HD2 LEU 14 -1.013 3.993 6.863
90 HD22 LEU 14 2HD2 LEU 14 -1.657 4.122 8.501
91 HD23 LEU 14 3HD2 LEU 14 -2.714 4.387 7.114
92 H ILE 15 HN ILE 15 -5.973 3.032 6.107
93 HA ILE 15 HA ILE 15 -6.500 2.617 3.244
94 HB ILE 15 HB ILE 15 -8.635 3.085 5.328
95 HG12 ILE 15 2HG1 ILE 15 -8.701 0.631 3.704
96 HG13 ILE 15 3HG1 ILE 15 -7.355 0.718 4.834
97 HG21 ILE 15 1HG2 ILE 15 -9.708 2.179 2.888
98 HG22 ILE 15 2HG2 ILE 15 -9.896 3.765 3.635
99 HG23 ILE 15 3HG2 ILE 15 -8.580 3.477 2.497
100 HD11 ILE 15 1HD1 ILE 15 -8.980 -0.334 6.073
101 HD12 ILE 15 2HD1 ILE 15 -9.183 1.350 6.558
102 HD13 ILE 15 3HD1 ILE 15 -10.283 0.632 5.381
103 H LEU 16 HN LEU 16 -5.121 4.473 2.964
104 HA LEU 16 HA LEU 16 -5.238 6.937 4.064
105 HB2 LEU 16 2HB LEU 16 -4.918 6.136 1.190
106 HB3 LEU 16 3HB LEU 16 -4.804 7.821 1.696
107 HG LEU 16 HG LEU 16 -3.033 5.603 2.721
108 HD11 LEU 16 1HD1 LEU 16 -1.500 6.055 1.116
109 HD12 LEU 16 2HD1 LEU 16 -1.992 7.741 0.960
110 HD13 LEU 16 3HD1 LEU 16 -2.949 6.470 0.200
111 HD21 LEU 16 1HD2 LEU 16 -2.120 8.363 2.899
112 HD22 LEU 16 2HD2 LEU 16 -2.133 7.092 4.121
113 HD23 LEU 16 3HD2 LEU 16 -3.582 8.055 3.836
114 HA PRO 17 HA PRO 17 -9.173 8.763 3.401
115 HB2 PRO 17 2HB PRO 17 -8.504 11.375 3.080
116 HB3 PRO 17 3HB PRO 17 -8.425 10.547 4.640
117 HG2 PRO 17 2HG PRO 17 -6.226 11.142 2.699
118 HG3 PRO 17 3HG PRO 17 -6.230 11.293 4.466
119 HD2 PRO 17 2HD PRO 17 -5.103 9.189 3.186
120 HD3 PRO 17 3HD PRO 17 -5.859 9.039 4.784
121 H CYS 18 HN CYS 18 -6.998 8.375 0.958
122 HA CYS 18 HA CYS 18 -8.626 9.815 -1.020
123 HB2 CYS 18 2HB CYS 18 -6.267 10.373 -1.112
124 HB3 CYS 18 3HB CYS 18 -5.834 8.669 -1.218
125 H ALA 19 HN ALA 19 -8.506 6.874 0.354
126 HA ALA 19 HA ALA 19 -9.655 4.961 -0.219
127 HB1 ALA 19 1HB ALA 19 -10.973 4.871 -2.070
128 HB2 ALA 19 2HB ALA 19 -10.698 6.612 -2.016
129 HB3 ALA 19 3HB ALA 19 -9.754 5.605 -3.112
130 H HIS 20 HN HIS 20 -6.719 5.576 -0.468
131 HA HIS 20 HA HIS 20 -5.994 3.318 -2.219
132 HB2 HIS 20 2HB HIS 20 -4.596 5.915 -1.665
133 HB3 HIS 20 3HB HIS 20 -3.671 4.501 -2.160
134 HD2 HIS 20 2HD HIS 20 -5.633 3.408 -4.535
135 HE1 HIS 20 1HE HIS 20 -5.169 7.304 -6.150
136 HE2 HIS 20 2HE HIS 20 -5.926 4.943 -6.596
137 H SER 21 HN SER 21 -6.127 1.730 -0.649
138 HA SER 21 HA SER 21 -4.773 2.030 1.880
139 HB2 SER 21 2HB SER 21 -6.164 -0.331 0.597
140 HB3 SER 21 3HB SER 21 -5.470 -0.356 2.217
141 HG SER 21 HG SER 21 -7.838 0.639 1.390
142 H PHE 22 HN PHE 22 -3.273 0.214 2.596
143 HA PHE 22 HA PHE 22 -1.653 -1.008 0.557
144 HB2 PHE 22 2HB PHE 22 -0.467 1.176 2.282
145 HB3 PHE 22 3HB PHE 22 0.447 0.112 1.217
146 HD1 PHE 22 1HD PHE 22 0.317 0.356 -1.198
147 HD2 PHE 22 2HD PHE 22 -1.783 2.986 1.409
148 HE1 PHE 22 1HE PHE 22 -0.021 1.927 -3.061
149 HE2 PHE 22 2HE PHE 22 -2.124 4.560 -0.450
150 HZ PHE 22 HZ PHE 22 -1.244 4.032 -2.689
151 H CYS 23 HN CYS 23 -1.607 -2.985 1.419
152 HA CYS 23 HA CYS 23 -1.879 -3.740 4.038
153 HB2 CYS 23 2HB CYS 23 -0.969 -5.875 3.427
154 HB3 CYS 23 3HB CYS 23 -1.868 -5.260 2.045
155 H GLN 24 HN GLN 24 -0.033 -5.030 5.240
156 HA GLN 24 HA GLN 24 1.863 -3.057 6.071
157 HB2 GLN 24 2HB GLN 24 0.786 -4.707 7.607
158 HB3 GLN 24 3HB GLN 24 1.733 -5.976 6.842
159 HG2 GLN 24 2HG GLN 24 3.207 -5.590 8.465
160 HG3 GLN 24 3HG GLN 24 3.662 -4.177 7.515
161 HE21 GLN 24 1HE2 GLN 24 3.825 -2.413 8.677
162 HE22 GLN 24 2HE2 GLN 24 2.878 -2.006 10.062
163 H LYS 25 HN LYS 25 1.971 -5.962 4.105
164 HA LYS 25 HA LYS 25 4.698 -6.417 3.978
165 HB2 LYS 25 2HB LYS 25 2.846 -6.658 1.608
166 HB3 LYS 25 3HB LYS 25 4.296 -7.597 1.941
167 HG2 LYS 25 2HG LYS 25 3.002 -8.346 4.067
168 HG3 LYS 25 3HG LYS 25 1.584 -7.804 3.167
169 HD2 LYS 25 2HD LYS 25 3.514 -9.553 1.747
170 HD3 LYS 25 3HD LYS 25 2.521 -10.294 3.004
171 HE2 LYS 25 2HE LYS 25 0.695 -10.239 1.721
172 HE3 LYS 25 3HE LYS 25 0.977 -8.560 1.262
173 HZ1 LYS 25 1HZ LYS 25 1.213 -9.589 -0.740
174 HZ2 LYS 25 2HZ LYS 25 1.828 -11.020 -0.081
175 HZ3 LYS 25 3HZ LYS 25 2.820 -9.656 -0.213
176 H CYS 26 HN CYS 26 2.906 -4.759 1.381
177 HA CYS 26 HA CYS 26 5.079 -3.659 0.089
178 HB2 CYS 26 2HB CYS 26 2.348 -2.385 0.356
179 HB3 CYS 26 3HB CYS 26 3.526 -2.073 -0.914
180 H ILE 27 HN ILE 27 3.287 -2.401 2.851
181 HA ILE 27 HA ILE 27 4.505 0.144 2.935
182 HB ILE 27 HB ILE 27 2.701 -1.380 4.601
183 HG12 ILE 27 2HG1 ILE 27 3.267 1.588 4.586
184 HG13 ILE 27 3HG1 ILE 27 2.300 0.784 3.356
185 HG21 ILE 27 1HG2 ILE 27 4.774 0.272 6.036
186 HG22 ILE 27 2HG2 ILE 27 3.304 -0.380 6.758
187 HG23 ILE 27 3HG2 ILE 27 4.556 -1.472 6.166
188 HD11 ILE 27 1HD1 ILE 27 1.665 0.748 6.293
189 HD12 ILE 27 2HD1 ILE 27 0.973 1.882 5.132
190 HD13 ILE 27 3HD1 ILE 27 0.658 0.153 4.974
191 H ASP 28 HN ASP 28 5.532 -2.995 4.003
192 HA ASP 28 HA ASP 28 7.708 -1.898 5.601
193 HB2 ASP 28 2HB ASP 28 6.232 -4.110 5.980
194 HB3 ASP 28 3HB ASP 28 7.553 -4.812 5.049
195 H LYS 29 HN LYS 29 7.114 -3.120 2.439
196 HA LYS 29 HA LYS 29 9.930 -3.618 1.896
197 HB2 LYS 29 2HB LYS 29 7.364 -4.117 0.477
198 HB3 LYS 29 3HB LYS 29 8.803 -3.905 -0.512
199 HG2 LYS 29 2HG LYS 29 9.445 -5.686 1.601
200 HG3 LYS 29 3HG LYS 29 7.928 -6.216 0.868
201 HD2 LYS 29 2HD LYS 29 9.372 -7.270 -0.538
202 HD3 LYS 29 3HD LYS 29 9.296 -5.711 -1.362
203 HE2 LYS 29 2HE LYS 29 11.338 -6.175 0.771
204 HE3 LYS 29 3HE LYS 29 11.605 -6.811 -0.851
205 HZ1 LYS 29 1HZ LYS 29 11.301 -4.553 -1.716
206 HZ2 LYS 29 2HZ LYS 29 12.602 -4.646 -0.639
207 HZ3 LYS 29 3HZ LYS 29 11.135 -3.966 -0.138
208 H TRP 30 HN TRP 30 7.512 -1.873 -0.039
209 HA TRP 30 HA TRP 30 9.468 0.312 -0.339
210 HB2 TRP 30 2HB TRP 30 9.362 0.113 -2.564
211 HB3 TRP 30 3HB TRP 30 8.410 -1.353 -2.341
212 HD1 TRP 30 1HD TRP 30 5.686 -1.042 -2.418
213 HE1 TRP 30 1HE TRP 30 4.255 0.666 -3.707
214 HE3 TRP 30 3HE TRP 30 9.288 2.448 -3.414
215 HZ2 TRP 30 2HZ TRP 30 4.608 3.162 -4.978
216 HZ3 TRP 30 3HZ TRP 30 8.659 4.467 -4.672
217 HH2 TRP 30 2HH TRP 30 6.366 4.814 -5.437
218 H SER 31 HN SER 31 8.795 2.132 0.565
219 HA SER 31 HA SER 31 6.333 3.357 0.023
220 HB2 SER 31 2HB SER 31 5.182 3.159 2.158
221 HB3 SER 31 3HB SER 31 5.452 1.551 1.486
222 HG SER 31 HG SER 31 7.356 2.637 3.235
223 H ASP 32 HN ASP 32 5.933 4.909 2.254
224 HA ASP 32 HA ASP 32 8.473 5.981 3.140
225 HB2 ASP 32 2HB ASP 32 7.034 8.238 2.159
226 HB3 ASP 32 3HB ASP 32 8.630 7.666 1.682
227 H ARG 33 HN ARG 33 7.770 5.565 5.224
228 HA ARG 33 HA ARG 33 5.427 5.887 6.469
229 HB2 ARG 33 2HB ARG 33 8.222 6.322 7.314
230 HB3 ARG 33 3HB ARG 33 7.002 7.051 8.351
231 HG2 ARG 33 2HG ARG 33 6.408 5.085 9.209
232 HG3 ARG 33 3HG ARG 33 6.366 4.310 7.624
233 HD2 ARG 33 2HD ARG 33 8.040 3.260 9.036
234 HD3 ARG 33 3HD ARG 33 8.808 4.087 7.680
235 HE ARG 33 HE ARG 33 8.720 5.830 9.876
236 HH11 ARG 33 1HH1 ARG 33 10.290 2.898 8.851
237 HH12 ARG 33 2HH1 ARG 33 11.714 3.174 9.798
238 HH21 ARG 33 1HH2 ARG 33 10.589 6.206 11.128
239 HH22 ARG 33 2HH2 ARG 33 11.883 5.056 11.093
240 H HIS 34 HN HIS 34 4.046 7.438 5.689
241 HA HIS 34 HA HIS 34 3.889 9.893 6.899
242 HB2 HIS 34 2HB HIS 34 5.721 9.902 4.607
243 HB3 HIS 34 3HB HIS 34 4.465 11.133 4.514
244 HD2 HIS 34 2HD HIS 34 5.604 10.496 8.110
245 HE1 HIS 34 1HE HIS 34 7.687 13.925 6.732
246 HE2 HIS 34 2HE HIS 34 7.178 12.459 8.715
247 H ARG 35 HN ARG 35 2.279 7.727 5.886
248 HA ARG 35 HA ARG 35 0.413 7.277 4.613
249 HB2 ARG 35 2HB ARG 35 -0.412 10.084 5.288
250 HB3 ARG 35 3HB ARG 35 -1.393 8.625 5.242
251 HG2 ARG 35 2HG ARG 35 -0.588 7.874 7.298
252 HG3 ARG 35 3HG ARG 35 0.806 8.956 7.249
253 HD2 ARG 35 2HD ARG 35 -1.695 10.410 7.114
254 HD3 ARG 35 3HD ARG 35 -1.604 9.399 8.556
255 HE ARG 35 HE ARG 35 -0.051 11.751 7.982
256 HH11 ARG 35 1HH1 ARG 35 -0.198 8.781 9.792
257 HH12 ARG 35 2HH1 ARG 35 0.884 9.329 11.031
258 HH21 ARG 35 1HH2 ARG 35 1.374 12.485 9.606
259 HH22 ARG 35 2HH2 ARG 35 1.777 11.436 10.924
260 H ASN 36 HN ASN 36 2.334 7.884 2.841
261 HA ASN 36 HA ASN 36 1.532 10.048 1.111
262 HB2 ASN 36 2HB ASN 36 3.819 8.283 1.375
263 HB3 ASN 36 3HB ASN 36 3.302 8.413 -0.303
264 HD21 ASN 36 1HD2 ASN 36 4.624 10.072 2.427
265 HD22 ASN 36 2HD2 ASN 36 5.070 11.520 1.596
266 H CYS 37 HN CYS 37 0.880 9.778 -1.101
267 HA CYS 37 HA CYS 37 -0.670 7.309 -1.520
268 HB2 CYS 37 2HB CYS 37 -1.470 10.010 -1.597
269 HB3 CYS 37 3HB CYS 37 -1.455 9.461 -3.269
270 HA PRO 38 HA PRO 38 2.663 7.214 -4.711
271 HB2 PRO 38 2HB PRO 38 3.009 4.526 -4.579
272 HB3 PRO 38 3HB PRO 38 3.825 5.653 -3.490
273 HG2 PRO 38 2HG PRO 38 1.372 4.004 -3.018
274 HG3 PRO 38 3HG PRO 38 2.746 4.299 -1.937
275 HD2 PRO 38 2HD PRO 38 0.394 5.616 -1.695
276 HD3 PRO 38 3HD PRO 38 1.952 6.362 -1.284
277 H ILE 39 HN ILE 39 -0.397 5.660 -4.287
278 HA ILE 39 HA ILE 39 -0.448 4.626 -7.008
279 HB ILE 39 HB ILE 39 -2.633 4.580 -4.924
280 HG12 ILE 39 2HG1 ILE 39 -0.424 3.362 -4.401
281 HG13 ILE 39 3HG1 ILE 39 -1.918 2.438 -4.275
282 HG21 ILE 39 1HG2 ILE 39 -3.801 4.133 -6.818
283 HG22 ILE 39 2HG2 ILE 39 -2.383 3.549 -7.687
284 HG23 ILE 39 3HG2 ILE 39 -3.185 2.511 -6.509
285 HD11 ILE 39 1HD1 ILE 39 -1.301 1.025 -5.882
286 HD12 ILE 39 2HD1 ILE 39 -0.697 2.319 -6.918
287 HD13 ILE 39 3HD1 ILE 39 0.320 1.670 -5.630
288 H CYS 40 HN CYS 40 -0.414 7.565 -6.261
289 HA CYS 40 HA CYS 40 -2.883 8.356 -7.663
290 HB2 CYS 40 2HB CYS 40 -1.523 9.437 -5.318
291 HB3 CYS 40 3HB CYS 40 -1.843 10.665 -6.538
292 H ARG 41 HN ARG 41 0.586 8.535 -7.597
293 HA ARG 41 HA ARG 41 0.528 10.140 -10.068
294 HB2 ARG 41 2HB ARG 41 3.095 10.382 -9.239
295 HB3 ARG 41 3HB ARG 41 1.822 11.527 -8.841
296 HG2 ARG 41 2HG ARG 41 2.459 9.178 -7.087
297 HG3 ARG 41 3HG ARG 41 3.298 10.724 -6.941
298 HD2 ARG 41 2HD ARG 41 0.730 11.557 -6.958
299 HD3 ARG 41 3HD ARG 41 0.547 9.976 -6.198
300 HE ARG 41 HE ARG 41 1.473 10.855 -4.315
301 HH11 ARG 41 1HH1 ARG 41 2.456 12.797 -7.032
302 HH12 ARG 41 2HH1 ARG 41 3.286 13.968 -6.062
303 HH21 ARG 41 1HH2 ARG 41 2.563 12.389 -3.026
304 HH22 ARG 41 2HH2 ARG 41 3.348 13.735 -3.783
305 H LEU 42 HN LEU 42 0.267 7.229 -9.783
306 HA LEU 42 HA LEU 42 2.661 5.899 -10.395
307 HB2 LEU 42 2HB LEU 42 -0.200 5.309 -10.473
308 HB3 LEU 42 3HB LEU 42 0.733 4.440 -11.689
309 HG LEU 42 HG LEU 42 1.204 4.363 -8.708
310 HD11 LEU 42 1HD1 LEU 42 -0.850 3.206 -9.530
311 HD12 LEU 42 2HD1 LEU 42 0.336 2.144 -8.774
312 HD13 LEU 42 3HD1 LEU 42 0.190 2.191 -10.531
313 HD21 LEU 42 1HD2 LEU 42 2.634 2.336 -9.557
314 HD22 LEU 42 2HD2 LEU 42 3.305 3.968 -9.547
315 HD23 LEU 42 3HD2 LEU 42 2.694 3.274 -11.050
Start of MODEL 9
1 H1 GLU 1 HN GLU 1 -14.433 1.136 0.809
2 HA GLU 1 HA GLU 1 -13.664 -1.269 -0.341
3 HB2 GLU 1 2HB GLU 1 -12.978 1.510 -0.620
4 HB3 GLU 1 3HB GLU 1 -11.522 0.530 -0.716
5 HG2 GLU 1 2HG GLU 1 -13.979 0.324 -2.433
6 HG3 GLU 1 3HG GLU 1 -12.361 0.827 -2.920
7 H GLU 2 HN GLU 2 -12.150 -2.767 0.077
8 HA GLU 2 HA GLU 2 -10.163 -2.195 2.170
9 HB2 GLU 2 2HB GLU 2 -12.334 -3.852 2.541
10 HB3 GLU 2 3HB GLU 2 -11.062 -4.978 2.087
11 HG2 GLU 2 2HG GLU 2 -9.784 -4.494 3.943
12 HG3 GLU 2 3HG GLU 2 -10.543 -2.922 4.185
13 H GLU 3 HN GLU 3 -9.048 -4.823 2.106
14 HA GLU 3 HA GLU 3 -7.408 -5.985 1.040
15 HB2 GLU 3 2HB GLU 3 -8.562 -5.347 -1.636
16 HB3 GLU 3 3HB GLU 3 -7.929 -6.868 -1.023
17 HG2 GLU 3 2HG GLU 3 -9.901 -7.359 0.131
18 HG3 GLU 3 3HG GLU 3 -10.480 -5.697 0.024
19 H CYS 4 HN CYS 4 -5.474 -5.758 -0.200
20 HA CYS 4 HA CYS 4 -4.439 -3.124 -0.208
21 HB2 CYS 4 2HB CYS 4 -3.055 -5.142 0.167
22 HB3 CYS 4 3HB CYS 4 -3.302 -5.606 -1.514
23 H CYS 5 HN CYS 5 -4.025 -1.705 -1.851
24 HA CYS 5 HA CYS 5 -5.501 -2.166 -4.324
25 HB2 CYS 5 2HB CYS 5 -4.243 0.314 -3.142
26 HB3 CYS 5 3HB CYS 5 -5.020 0.277 -4.719
27 HG CYS 5 HG CYS 5 -7.211 -1.001 -2.766
28 H ILE 6 HN ILE 6 -2.832 -3.387 -3.648
29 HA ILE 6 HA ILE 6 -1.497 -2.609 -6.142
30 HB ILE 6 HB ILE 6 -0.186 -2.877 -3.444
31 HG12 ILE 6 2HG1 ILE 6 -0.095 -0.706 -5.551
32 HG13 ILE 6 3HG1 ILE 6 -1.050 -0.652 -4.073
33 HG21 ILE 6 1HG2 ILE 6 1.968 -2.591 -4.736
34 HG22 ILE 6 2HG2 ILE 6 1.194 -4.170 -4.861
35 HG23 ILE 6 3HG2 ILE 6 1.049 -3.011 -6.182
36 HD11 ILE 6 1HD1 ILE 6 1.643 0.139 -4.488
37 HD12 ILE 6 2HD1 ILE 6 0.664 0.260 -3.025
38 HD13 ILE 6 3HD1 ILE 6 1.618 -1.191 -3.331
39 H CYS 7 HN CYS 7 -0.584 -4.845 -3.543
40 HA CYS 7 HA CYS 7 -0.080 -6.950 -5.414
41 HB2 CYS 7 2HB CYS 7 0.671 -8.221 -3.549
42 HB3 CYS 7 3HB CYS 7 1.168 -6.561 -3.241
43 H MET 8 HN MET 8 -2.729 -6.035 -3.348
44 HA MET 8 HA MET 8 -4.740 -7.017 -2.873
45 HB2 MET 8 2HB MET 8 -4.948 -8.222 -5.553
46 HB3 MET 8 3HB MET 8 -6.023 -7.094 -4.738
47 HG2 MET 8 2HG MET 8 -4.719 -5.237 -5.378
48 HG3 MET 8 3HG MET 8 -3.383 -6.262 -5.894
49 HE1 MET 8 1HE MET 8 -6.580 -4.745 -6.320
50 HE2 MET 8 2HE MET 8 -6.506 -4.335 -8.033
51 HE3 MET 8 3HE MET 8 -7.456 -5.722 -7.498
52 H ASP 9 HN ASP 9 -2.992 -8.600 -1.744
53 HA ASP 9 HA ASP 9 -3.968 -11.297 -2.364
54 HB2 ASP 9 2HB ASP 9 -1.128 -10.386 -2.195
55 HB3 ASP 9 3HB ASP 9 -1.533 -11.992 -1.597
56 H GLY 10 HN GLY 10 -4.929 -9.547 -0.384
57 HA2 GLY 10 1HA GLY 10 -4.886 -11.206 1.881
58 HA3 GLY 10 2HA GLY 10 -3.756 -9.887 2.146
59 H ARG 11 HN ARG 11 -4.549 -8.140 3.098
60 HA ARG 11 HA ARG 11 -7.296 -7.315 2.573
61 HB2 ARG 11 2HB ARG 11 -7.957 -7.236 4.856
62 HB3 ARG 11 3HB ARG 11 -7.295 -8.842 4.582
63 HG2 ARG 11 2HG ARG 11 -5.587 -6.645 5.682
64 HG3 ARG 11 3HG ARG 11 -6.651 -7.588 6.728
65 HD2 ARG 11 2HD ARG 11 -4.628 -8.829 4.875
66 HD3 ARG 11 3HD ARG 11 -4.273 -8.409 6.550
67 HE ARG 11 HE ARG 11 -6.521 -9.948 6.696
68 HH11 ARG 11 1HH1 ARG 11 -3.341 -10.358 5.339
69 HH12 ARG 11 2HH1 ARG 11 -3.318 -12.074 5.579
70 HH21 ARG 11 1HH2 ARG 11 -6.502 -12.206 7.017
71 HH22 ARG 11 2HH2 ARG 11 -5.117 -13.124 6.532
72 H ALA 12 HN ALA 12 -7.755 -5.137 3.386
73 HA ALA 12 HA ALA 12 -5.498 -3.403 2.960
74 HB1 ALA 12 1HB ALA 12 -8.428 -2.950 3.407
75 HB2 ALA 12 2HB ALA 12 -7.282 -1.608 3.404
76 HB3 ALA 12 3HB ALA 12 -7.459 -2.621 1.971
77 H ASP 13 HN ASP 13 -4.158 -3.831 4.753
78 HA ASP 13 HA ASP 13 -4.942 -3.731 7.437
79 HB2 ASP 13 2HB ASP 13 -2.245 -2.949 6.314
80 HB3 ASP 13 3HB ASP 13 -2.589 -3.477 7.960
81 H LEU 14 HN LEU 14 -4.133 -1.194 5.172
82 HA LEU 14 HA LEU 14 -4.984 0.784 7.161
83 HB2 LEU 14 2HB LEU 14 -2.330 0.467 6.189
84 HB3 LEU 14 3HB LEU 14 -2.979 1.969 5.538
85 HG LEU 14 HG LEU 14 -3.557 1.806 8.342
86 HD11 LEU 14 1HD1 LEU 14 -1.461 1.607 9.330
87 HD12 LEU 14 2HD1 LEU 14 -0.613 1.782 7.794
88 HD13 LEU 14 3HD1 LEU 14 -1.488 0.293 8.153
89 HD21 LEU 14 1HD2 LEU 14 -2.161 3.620 6.442
90 HD22 LEU 14 2HD2 LEU 14 -1.910 3.855 8.172
91 HD23 LEU 14 3HD2 LEU 14 -3.538 3.932 7.498
92 H ILE 15 HN ILE 15 -5.441 2.934 6.119
93 HA ILE 15 HA ILE 15 -6.183 2.739 3.298
94 HB ILE 15 HB ILE 15 -8.155 3.644 5.396
95 HG12 ILE 15 2HG1 ILE 15 -7.694 1.001 4.088
96 HG13 ILE 15 3HG1 ILE 15 -8.209 1.363 5.731
97 HG21 ILE 15 1HG2 ILE 15 -8.207 4.635 3.046
98 HG22 ILE 15 2HG2 ILE 15 -8.700 3.030 2.508
99 HG23 ILE 15 3HG2 ILE 15 -9.701 3.922 3.654
100 HD11 ILE 15 1HD1 ILE 15 -9.924 1.643 3.275
101 HD12 ILE 15 2HD1 ILE 15 -9.966 0.293 4.410
102 HD13 ILE 15 3HD1 ILE 15 -10.428 1.909 4.944
103 H LEU 16 HN LEU 16 -4.849 4.330 2.608
104 HA LEU 16 HA LEU 16 -4.140 6.653 3.948
105 HB2 LEU 16 2HB LEU 16 -4.351 6.082 1.001
106 HB3 LEU 16 3HB LEU 16 -3.653 7.563 1.652
107 HG LEU 16 HG LEU 16 -2.596 4.755 1.919
108 HD11 LEU 16 1HD1 LEU 16 -1.113 7.142 0.903
109 HD12 LEU 16 2HD1 LEU 16 -2.218 6.266 -0.155
110 HD13 LEU 16 3HD1 LEU 16 -0.846 5.431 0.572
111 HD21 LEU 16 1HD2 LEU 16 -0.694 6.018 3.123
112 HD22 LEU 16 2HD2 LEU 16 -2.149 5.610 4.031
113 HD23 LEU 16 3HD2 LEU 16 -1.917 7.251 3.428
114 HA PRO 17 HA PRO 17 -7.599 9.350 3.795
115 HB2 PRO 17 2HB PRO 17 -6.380 11.761 3.523
116 HB3 PRO 17 3HB PRO 17 -6.349 10.832 5.027
117 HG2 PRO 17 2HG PRO 17 -4.262 11.049 2.892
118 HG3 PRO 17 3HG PRO 17 -4.066 11.076 4.654
119 HD2 PRO 17 2HD PRO 17 -3.578 8.866 3.168
120 HD3 PRO 17 3HD PRO 17 -4.197 8.782 4.829
121 H CYS 18 HN CYS 18 -5.810 8.650 1.119
122 HA CYS 18 HA CYS 18 -7.268 10.535 -0.606
123 HB2 CYS 18 2HB CYS 18 -5.604 9.935 -2.342
124 HB3 CYS 18 3HB CYS 18 -4.859 10.626 -0.905
125 H ALA 19 HN ALA 19 -7.776 7.635 0.631
126 HA ALA 19 HA ALA 19 -9.261 5.985 0.071
127 HB1 ALA 19 1HB ALA 19 -9.527 6.902 -2.744
128 HB2 ALA 19 2HB ALA 19 -10.751 6.286 -1.632
129 HB3 ALA 19 3HB ALA 19 -10.159 7.938 -1.464
130 H HIS 20 HN HIS 20 -6.665 5.362 0.066
131 HA HIS 20 HA HIS 20 -6.496 3.380 -2.067
132 HB2 HIS 20 2HB HIS 20 -4.436 5.510 -1.543
133 HB3 HIS 20 3HB HIS 20 -3.995 3.972 -2.278
134 HD2 HIS 20 2HD HIS 20 -6.125 3.563 -4.561
135 HE1 HIS 20 1HE HIS 20 -5.410 7.599 -5.659
136 HE2 HIS 20 2HE HIS 20 -6.429 5.404 -6.354
137 H SER 21 HN SER 21 -6.630 1.631 -0.778
138 HA SER 21 HA SER 21 -5.362 1.478 1.782
139 HB2 SER 21 2HB SER 21 -5.984 -1.129 1.024
140 HB3 SER 21 3HB SER 21 -7.007 -0.042 1.963
141 HG SER 21 HG SER 21 -8.198 0.366 0.232
142 H PHE 22 HN PHE 22 -3.786 -0.184 2.376
143 HA PHE 22 HA PHE 22 -2.153 -1.377 0.344
144 HB2 PHE 22 2HB PHE 22 -1.002 0.902 1.967
145 HB3 PHE 22 3HB PHE 22 -0.078 -0.167 0.917
146 HD1 PHE 22 1HD PHE 22 -0.749 -0.227 -1.564
147 HD2 PHE 22 2HD PHE 22 -1.919 2.855 1.129
148 HE1 PHE 22 1HE PHE 22 -1.183 1.268 -3.469
149 HE2 PHE 22 2HE PHE 22 -2.357 4.354 -0.773
150 HZ PHE 22 HZ PHE 22 -1.989 3.561 -3.075
151 H CYS 23 HN CYS 23 -1.811 -3.306 1.211
152 HA CYS 23 HA CYS 23 -2.011 -3.928 3.930
153 HB2 CYS 23 2HB CYS 23 -1.276 -6.115 3.352
154 HB3 CYS 23 3HB CYS 23 -2.189 -5.523 1.968
155 H GLN 24 HN GLN 24 -0.489 -4.355 5.522
156 HA GLN 24 HA GLN 24 1.588 -2.674 5.921
157 HB2 GLN 24 2HB GLN 24 0.567 -4.629 7.392
158 HB3 GLN 24 3HB GLN 24 1.998 -5.484 6.832
159 HG2 GLN 24 2HG GLN 24 2.210 -2.768 8.068
160 HG3 GLN 24 3HG GLN 24 2.104 -4.219 9.063
161 HE21 GLN 24 1HE2 GLN 24 4.209 -2.096 7.864
162 HE22 GLN 24 2HE2 GLN 24 5.613 -3.091 7.706
163 H LYS 25 HN LYS 25 2.048 -6.009 4.735
164 HA LYS 25 HA LYS 25 4.663 -6.151 4.235
165 HB2 LYS 25 2HB LYS 25 2.314 -7.292 3.014
166 HB3 LYS 25 3HB LYS 25 3.555 -7.023 1.796
167 HG2 LYS 25 2HG LYS 25 5.048 -8.475 2.811
168 HG3 LYS 25 3HG LYS 25 4.231 -8.381 4.372
169 HD2 LYS 25 2HD LYS 25 2.661 -9.456 2.103
170 HD3 LYS 25 3HD LYS 25 3.973 -10.467 2.713
171 HE2 LYS 25 2HE LYS 25 2.488 -9.373 4.908
172 HE3 LYS 25 3HE LYS 25 1.385 -10.156 3.777
173 HZ1 LYS 25 1HZ LYS 25 3.763 -11.683 4.305
174 HZ2 LYS 25 2HZ LYS 25 2.141 -12.165 4.331
175 HZ3 LYS 25 3HZ LYS 25 2.824 -11.419 5.687
176 H CYS 26 HN CYS 26 2.397 -4.601 1.960
177 HA CYS 26 HA CYS 26 4.457 -3.618 0.260
178 HB2 CYS 26 2HB CYS 26 1.527 -2.947 0.531
179 HB3 CYS 26 3HB CYS 26 2.571 -2.173 -0.657
180 H ILE 27 HN ILE 27 2.489 -2.159 2.821
181 HA ILE 27 HA ILE 27 3.278 0.476 2.613
182 HB ILE 27 HB ILE 27 2.056 -1.163 4.639
183 HG12 ILE 27 2HG1 ILE 27 2.068 1.844 4.328
184 HG13 ILE 27 3HG1 ILE 27 1.080 0.766 3.350
185 HG21 ILE 27 1HG2 ILE 27 4.057 -0.823 5.939
186 HG22 ILE 27 2HG2 ILE 27 4.012 0.910 5.619
187 HG23 ILE 27 3HG2 ILE 27 2.757 0.164 6.607
188 HD11 ILE 27 1HD1 ILE 27 0.321 1.943 5.692
189 HD12 ILE 27 2HD1 ILE 27 -0.439 0.530 4.959
190 HD13 ILE 27 3HD1 ILE 27 0.784 0.322 6.211
191 H ASP 28 HN ASP 28 5.012 -2.244 3.991
192 HA ASP 28 HA ASP 28 7.083 -0.649 5.170
193 HB2 ASP 28 2HB ASP 28 6.337 -3.039 5.821
194 HB3 ASP 28 3HB ASP 28 7.359 -3.564 4.485
195 H LYS 29 HN LYS 29 6.699 -2.487 2.178
196 HA LYS 29 HA LYS 29 9.343 -2.226 1.248
197 HB2 LYS 29 2HB LYS 29 7.207 -3.607 0.392
198 HB3 LYS 29 3HB LYS 29 7.133 -2.260 -0.736
199 HG2 LYS 29 2HG LYS 29 9.692 -2.817 -1.034
200 HG3 LYS 29 3HG LYS 29 9.168 -4.404 -0.468
201 HD2 LYS 29 2HD LYS 29 7.259 -3.670 -2.351
202 HD3 LYS 29 3HD LYS 29 8.793 -3.144 -3.047
203 HE2 LYS 29 2HE LYS 29 8.763 -5.296 -3.798
204 HE3 LYS 29 3HE LYS 29 9.560 -5.547 -2.245
205 HZ1 LYS 29 1HZ LYS 29 7.665 -7.093 -2.810
206 HZ2 LYS 29 2HZ LYS 29 6.627 -5.779 -2.567
207 HZ3 LYS 29 3HZ LYS 29 7.588 -6.344 -1.294
208 H TRP 30 HN TRP 30 6.431 -0.397 0.289
209 HA TRP 30 HA TRP 30 8.058 1.619 -1.000
210 HB2 TRP 30 2HB TRP 30 5.067 1.559 -0.547
211 HB3 TRP 30 3HB TRP 30 5.936 2.648 -1.625
212 HD1 TRP 30 1HD TRP 30 4.421 -0.792 -1.470
213 HE1 TRP 30 1HE TRP 30 4.709 -1.964 -3.743
214 HE3 TRP 30 3HE TRP 30 7.658 2.494 -3.673
215 HZ2 TRP 30 2HZ TRP 30 6.122 -1.551 -6.151
216 HZ3 TRP 30 3HZ TRP 30 8.432 2.032 -5.963
217 HH2 TRP 30 2HH TRP 30 7.678 0.050 -7.175
218 H SER 31 HN SER 31 9.181 2.828 0.434
219 HA SER 31 HA SER 31 7.747 4.737 2.010
220 HB2 SER 31 2HB SER 31 8.742 2.311 3.286
221 HB3 SER 31 3HB SER 31 9.420 3.771 4.007
222 HG SER 31 HG SER 31 7.567 4.089 4.919
223 H ASP 32 HN ASP 32 10.957 3.177 1.981
224 HA ASP 32 HA ASP 32 12.296 5.710 2.225
225 HB2 ASP 32 2HB ASP 32 13.311 3.797 3.276
226 HB3 ASP 32 3HB ASP 32 13.323 2.906 1.756
227 H ARG 33 HN ARG 33 11.271 6.638 0.279
228 HA ARG 33 HA ARG 33 12.972 7.039 -1.800
229 HB2 ARG 33 2HB ARG 33 11.727 4.445 -2.025
230 HB3 ARG 33 3HB ARG 33 11.271 5.462 -3.385
231 HG2 ARG 33 2HG ARG 33 13.420 5.607 -4.176
232 HG3 ARG 33 3HG ARG 33 14.138 5.305 -2.593
233 HD2 ARG 33 2HD ARG 33 12.890 2.972 -2.937
234 HD3 ARG 33 3HD ARG 33 13.136 3.399 -4.630
235 HE ARG 33 HE ARG 33 15.142 2.602 -2.733
236 HH11 ARG 33 1HH1 ARG 33 14.524 4.347 -5.682
237 HH12 ARG 33 2HH1 ARG 33 16.147 4.188 -6.268
238 HH21 ARG 33 1HH2 ARG 33 17.281 2.387 -3.495
239 HH22 ARG 33 2HH2 ARG 33 17.714 3.072 -5.025
240 H HIS 34 HN HIS 34 9.734 6.804 -0.644
241 HA HIS 34 HA HIS 34 8.941 9.324 -1.426
242 HB2 HIS 34 2HB HIS 34 8.651 7.306 -3.561
243 HB3 HIS 34 3HB HIS 34 7.218 8.283 -3.257
244 HD2 HIS 34 2HD HIS 34 9.415 10.949 -2.590
245 HE1 HIS 34 1HE HIS 34 9.789 10.644 -6.804
246 HE2 HIS 34 2HE HIS 34 10.259 12.054 -4.772
247 H ARG 35 HN ARG 35 8.268 8.783 0.789
248 HA ARG 35 HA ARG 35 6.440 6.922 1.591
249 HB2 ARG 35 2HB ARG 35 7.374 9.467 2.563
250 HB3 ARG 35 3HB ARG 35 5.653 9.302 2.879
251 HG2 ARG 35 2HG ARG 35 6.359 6.937 3.765
252 HG3 ARG 35 3HG ARG 35 7.936 7.713 3.930
253 HD2 ARG 35 2HD ARG 35 6.017 9.511 4.954
254 HD3 ARG 35 3HD ARG 35 5.637 7.921 5.615
255 HE ARG 35 HE ARG 35 7.749 9.575 6.419
256 HH11 ARG 35 1HH1 ARG 35 7.129 6.243 5.621
257 HH12 ARG 35 2HH1 ARG 35 8.376 5.628 6.656
258 HH21 ARG 35 1HH2 ARG 35 9.393 8.777 7.785
259 HH22 ARG 35 2HH2 ARG 35 9.663 7.069 7.886
260 H ASN 36 HN ASN 36 5.917 9.547 -0.555
261 HA ASN 36 HA ASN 36 3.179 10.008 -0.225
262 HB2 ASN 36 2HB ASN 36 3.220 10.980 -2.431
263 HB3 ASN 36 3HB ASN 36 4.732 11.385 -1.623
264 HD21 ASN 36 1HD2 ASN 36 6.461 11.186 -2.829
265 HD22 ASN 36 2HD2 ASN 36 6.662 10.100 -4.158
266 H CYS 37 HN CYS 37 1.349 9.160 -1.214
267 HA CYS 37 HA CYS 37 1.161 6.422 -1.496
268 HB2 CYS 37 2HB CYS 37 -0.889 7.456 -1.198
269 HB3 CYS 37 3HB CYS 37 -0.549 8.707 -2.389
270 HA PRO 38 HA PRO 38 2.891 5.458 -5.425
271 HB2 PRO 38 2HB PRO 38 1.585 3.130 -5.916
272 HB3 PRO 38 3HB PRO 38 2.883 3.271 -4.725
273 HG2 PRO 38 2HG PRO 38 -0.081 3.280 -4.305
274 HG3 PRO 38 3HG PRO 38 1.179 2.451 -3.371
275 HD2 PRO 38 2HD PRO 38 0.048 4.772 -2.554
276 HD3 PRO 38 3HD PRO 38 1.737 4.354 -2.197
277 H ILE 39 HN ILE 39 -0.622 4.843 -5.239
278 HA ILE 39 HA ILE 39 -1.177 5.033 -7.955
279 HB ILE 39 HB ILE 39 -2.993 5.867 -5.690
280 HG12 ILE 39 2HG1 ILE 39 -2.292 3.632 -5.251
281 HG13 ILE 39 3HG1 ILE 39 -3.885 3.511 -5.990
282 HG21 ILE 39 1HG2 ILE 39 -3.335 6.006 -8.483
283 HG22 ILE 39 2HG2 ILE 39 -4.328 4.668 -7.912
284 HG23 ILE 39 3HG2 ILE 39 -4.540 6.278 -7.226
285 HD11 ILE 39 1HD1 ILE 39 -2.928 1.978 -7.294
286 HD12 ILE 39 2HD1 ILE 39 -2.248 3.357 -8.160
287 HD13 ILE 39 3HD1 ILE 39 -1.298 2.537 -6.921
288 H CYS 40 HN CYS 40 -2.144 7.566 -5.652
289 HA CYS 40 HA CYS 40 -2.691 9.616 -7.274
290 HB2 CYS 40 2HB CYS 40 -1.021 9.792 -4.757
291 HB3 CYS 40 3HB CYS 40 -1.796 11.166 -5.537
292 H ARG 41 HN ARG 41 0.587 8.594 -6.418
293 HA ARG 41 HA ARG 41 2.127 10.571 -7.479
294 HB2 ARG 41 2HB ARG 41 2.537 7.923 -6.683
295 HB3 ARG 41 3HB ARG 41 3.155 7.998 -8.327
296 HG2 ARG 41 2HG ARG 41 4.496 10.000 -7.628
297 HG3 ARG 41 3HG ARG 41 4.004 9.656 -5.968
298 HD2 ARG 41 2HD ARG 41 6.122 8.646 -6.247
299 HD3 ARG 41 3HD ARG 41 4.944 7.336 -6.304
300 HE ARG 41 HE ARG 41 5.297 8.031 -8.914
301 HH11 ARG 41 1HH1 ARG 41 7.420 7.075 -6.325
302 HH12 ARG 41 2HH1 ARG 41 8.580 6.331 -7.376
303 HH21 ARG 41 1HH2 ARG 41 6.817 7.055 -10.307
304 HH22 ARG 41 2HH2 ARG 41 8.237 6.322 -9.640
305 H LEU 42 HN LEU 42 0.758 7.831 -9.293
306 HA LEU 42 HA LEU 42 0.885 9.474 -11.719
307 HB2 LEU 42 2HB LEU 42 2.163 8.050 -12.881
308 HB3 LEU 42 3HB LEU 42 2.691 7.505 -11.290
309 HG LEU 42 HG LEU 42 0.584 5.879 -11.640
310 HD11 LEU 42 1HD1 LEU 42 -0.176 5.863 -13.721
311 HD12 LEU 42 2HD1 LEU 42 1.406 5.309 -14.263
312 HD13 LEU 42 3HD1 LEU 42 1.044 7.033 -14.219
313 HD21 LEU 42 1HD2 LEU 42 2.537 4.837 -11.064
314 HD22 LEU 42 2HD2 LEU 42 3.473 5.650 -12.317
315 HD23 LEU 42 3HD2 LEU 42 2.396 4.319 -12.743
Start of MODEL 10
1 H1 GLU 1 HN GLU 1 -13.566 -3.388 6.357
2 HA GLU 1 HA GLU 1 -11.836 -4.869 5.677
3 HB2 GLU 1 2HB GLU 1 -14.428 -5.762 5.807
4 HB3 GLU 1 3HB GLU 1 -13.918 -6.346 4.230
5 HG2 GLU 1 2HG GLU 1 -11.990 -6.815 6.385
6 HG3 GLU 1 3HG GLU 1 -13.530 -7.654 6.571
7 H GLU 2 HN GLU 2 -11.438 -2.879 3.928
8 HA GLU 2 HA GLU 2 -11.816 -3.674 1.205
9 HB2 GLU 2 2HB GLU 2 -10.059 -1.545 2.436
10 HB3 GLU 2 3HB GLU 2 -10.294 -1.761 0.706
11 HG2 GLU 2 2HG GLU 2 -12.168 -0.716 2.760
12 HG3 GLU 2 3HG GLU 2 -11.797 -0.100 1.151
13 H GLU 3 HN GLU 3 -10.005 -3.985 -0.316
14 HA GLU 3 HA GLU 3 -7.872 -5.593 0.927
15 HB2 GLU 3 2HB GLU 3 -8.845 -5.835 -1.918
16 HB3 GLU 3 3HB GLU 3 -7.818 -6.953 -1.032
17 HG2 GLU 3 2HG GLU 3 -9.558 -7.890 0.090
18 HG3 GLU 3 3HG GLU 3 -10.522 -6.414 0.054
19 H CYS 4 HN CYS 4 -5.756 -5.369 0.217
20 HA CYS 4 HA CYS 4 -4.779 -2.881 -0.335
21 HB2 CYS 4 2HB CYS 4 -3.424 -4.860 0.352
22 HB3 CYS 4 3HB CYS 4 -3.527 -5.460 -1.300
23 H CYS 5 HN CYS 5 -4.595 -1.582 -2.055
24 HA CYS 5 HA CYS 5 -5.710 -2.506 -4.587
25 HB2 CYS 5 2HB CYS 5 -5.913 -0.116 -3.177
26 HB3 CYS 5 3HB CYS 5 -4.847 0.273 -4.521
27 HG CYS 5 HG CYS 5 -6.943 -1.167 -6.205
28 H ILE 6 HN ILE 6 -3.235 -3.612 -4.009
29 HA ILE 6 HA ILE 6 -1.661 -2.546 -6.221
30 HB ILE 6 HB ILE 6 -0.613 -2.857 -3.416
31 HG12 ILE 6 2HG1 ILE 6 -0.410 -0.610 -5.434
32 HG13 ILE 6 3HG1 ILE 6 -1.530 -0.659 -4.076
33 HG21 ILE 6 1HG2 ILE 6 1.270 -3.699 -4.251
34 HG22 ILE 6 2HG2 ILE 6 0.729 -3.439 -5.910
35 HG23 ILE 6 3HG2 ILE 6 1.529 -2.136 -5.028
36 HD11 ILE 6 1HD1 ILE 6 0.044 -0.061 -2.595
37 HD12 ILE 6 2HD1 ILE 6 1.303 -1.009 -3.388
38 HD13 ILE 6 3HD1 ILE 6 0.857 0.574 -4.026
39 H CYS 7 HN CYS 7 -1.203 -4.933 -3.608
40 HA CYS 7 HA CYS 7 -0.308 -6.894 -5.554
41 HB2 CYS 7 2HB CYS 7 0.147 -8.298 -3.550
42 HB3 CYS 7 3HB CYS 7 0.950 -6.732 -3.493
43 H MET 8 HN MET 8 -3.107 -6.194 -3.607
44 HA MET 8 HA MET 8 -5.220 -7.047 -3.648
45 HB2 MET 8 2HB MET 8 -4.613 -9.092 -5.712
46 HB3 MET 8 3HB MET 8 -5.992 -8.010 -5.571
47 HG2 MET 8 2HG MET 8 -4.123 -6.200 -6.113
48 HG3 MET 8 3HG MET 8 -3.375 -7.596 -6.886
49 HE1 MET 8 1HE MET 8 -4.747 -9.167 -8.571
50 HE2 MET 8 2HE MET 8 -6.259 -9.141 -7.663
51 HE3 MET 8 3HE MET 8 -6.246 -8.685 -9.369
52 H ASP 9 HN ASP 9 -2.632 -8.487 -2.532
53 HA ASP 9 HA ASP 9 -4.140 -10.781 -1.492
54 HB2 ASP 9 2HB ASP 9 -1.258 -10.891 -2.411
55 HB3 ASP 9 3HB ASP 9 -2.151 -12.208 -1.657
56 H GLY 10 HN GLY 10 -4.044 -8.525 -0.071
57 HA2 GLY 10 1HA GLY 10 -2.607 -9.324 2.280
58 HA3 GLY 10 2HA GLY 10 -1.921 -7.889 1.533
59 H ARG 11 HN ARG 11 -5.332 -8.495 1.317
60 HA ARG 11 HA ARG 11 -7.075 -7.132 1.926
61 HB2 ARG 11 2HB ARG 11 -5.836 -7.332 4.667
62 HB3 ARG 11 3HB ARG 11 -7.541 -7.211 4.256
63 HG2 ARG 11 2HG ARG 11 -6.014 -9.550 3.246
64 HG3 ARG 11 3HG ARG 11 -6.449 -9.498 4.955
65 HD2 ARG 11 2HD ARG 11 -8.399 -10.382 4.308
66 HD3 ARG 11 3HD ARG 11 -8.783 -8.761 3.730
67 HE ARG 11 HE ARG 11 -7.516 -9.816 1.618
68 HH11 ARG 11 1HH1 ARG 11 -10.080 -11.034 3.633
69 HH12 ARG 11 2HH1 ARG 11 -10.803 -11.974 2.370
70 HH21 ARG 11 1HH2 ARG 11 -8.458 -11.049 -0.054
71 HH22 ARG 11 2HH2 ARG 11 -9.879 -11.982 0.273
72 H ALA 12 HN ALA 12 -7.149 -5.353 4.217
73 HA ALA 12 HA ALA 12 -5.347 -3.206 3.312
74 HB1 ALA 12 1HB ALA 12 -7.513 -2.751 2.366
75 HB2 ALA 12 2HB ALA 12 -8.285 -2.959 3.938
76 HB3 ALA 12 3HB ALA 12 -7.197 -1.599 3.663
77 H ASP 13 HN ASP 13 -3.988 -2.891 4.956
78 HA ASP 13 HA ASP 13 -5.020 -3.005 7.703
79 HB2 ASP 13 2HB ASP 13 -2.936 -4.335 6.847
80 HB3 ASP 13 3HB ASP 13 -2.106 -2.792 7.026
81 H LEU 14 HN LEU 14 -4.273 -0.803 5.309
82 HA LEU 14 HA LEU 14 -4.352 1.391 7.208
83 HB2 LEU 14 2HB LEU 14 -1.918 0.532 5.997
84 HB3 LEU 14 3HB LEU 14 -2.353 2.107 5.336
85 HG LEU 14 HG LEU 14 -0.902 2.494 7.171
86 HD11 LEU 14 1HD1 LEU 14 -3.422 3.559 7.029
87 HD12 LEU 14 2HD1 LEU 14 -2.117 4.141 8.062
88 HD13 LEU 14 3HD1 LEU 14 -3.323 3.029 8.708
89 HD21 LEU 14 1HD2 LEU 14 -2.684 1.055 9.088
90 HD22 LEU 14 2HD2 LEU 14 -0.971 1.453 9.226
91 HD23 LEU 14 3HD2 LEU 14 -1.491 0.152 8.154
92 H ILE 15 HN ILE 15 -6.084 2.428 6.451
93 HA ILE 15 HA ILE 15 -6.547 2.622 3.581
94 HB ILE 15 HB ILE 15 -8.273 3.745 5.785
95 HG12 ILE 15 2HG1 ILE 15 -8.651 1.077 4.425
96 HG13 ILE 15 3HG1 ILE 15 -7.804 1.244 5.960
97 HG21 ILE 15 1HG2 ILE 15 -10.045 3.478 4.042
98 HG22 ILE 15 2HG2 ILE 15 -8.808 4.670 3.651
99 HG23 ILE 15 3HG2 ILE 15 -8.771 3.079 2.890
100 HD11 ILE 15 1HD1 ILE 15 -10.425 0.733 5.745
101 HD12 ILE 15 2HD1 ILE 15 -9.702 1.574 7.117
102 HD13 ILE 15 3HD1 ILE 15 -10.464 2.495 5.821
103 H LEU 16 HN LEU 16 -5.119 4.101 2.774
104 HA LEU 16 HA LEU 16 -4.298 6.479 3.961
105 HB2 LEU 16 2HB LEU 16 -4.495 5.581 1.110
106 HB3 LEU 16 3HB LEU 16 -3.947 7.207 1.509
107 HG LEU 16 HG LEU 16 -2.611 4.582 2.091
108 HD11 LEU 16 1HD1 LEU 16 -2.341 6.165 -0.025
109 HD12 LEU 16 2HD1 LEU 16 -0.985 5.280 0.671
110 HD13 LEU 16 3HD1 LEU 16 -1.219 6.985 1.061
111 HD21 LEU 16 1HD2 LEU 16 -2.237 5.515 4.143
112 HD22 LEU 16 2HD2 LEU 16 -2.376 7.167 3.542
113 HD23 LEU 16 3HD2 LEU 16 -0.909 6.238 3.235
114 HA PRO 17 HA PRO 17 -7.636 9.308 3.641
115 HB2 PRO 17 2HB PRO 17 -6.344 11.629 3.081
116 HB3 PRO 17 3HB PRO 17 -6.283 10.854 4.669
117 HG2 PRO 17 2HG PRO 17 -4.282 10.774 2.444
118 HG3 PRO 17 3HG PRO 17 -4.011 10.968 4.186
119 HD2 PRO 17 2HD PRO 17 -3.665 8.604 2.913
120 HD3 PRO 17 3HD PRO 17 -4.216 8.710 4.596
121 H CYS 18 HN CYS 18 -5.991 8.271 0.983
122 HA CYS 18 HA CYS 18 -7.455 10.031 -0.864
123 HB2 CYS 18 2HB CYS 18 -5.885 9.147 -2.597
124 HB3 CYS 18 3HB CYS 18 -5.085 10.033 -1.303
125 H ALA 19 HN ALA 19 -8.074 7.339 0.685
126 HA ALA 19 HA ALA 19 -9.593 5.667 0.350
127 HB1 ALA 19 1HB ALA 19 -10.523 7.513 -1.293
128 HB2 ALA 19 2HB ALA 19 -10.002 6.350 -2.513
129 HB3 ALA 19 3HB ALA 19 -11.173 5.872 -1.284
130 H HIS 20 HN HIS 20 -6.770 5.338 -0.109
131 HA HIS 20 HA HIS 20 -6.860 3.066 -1.979
132 HB2 HIS 20 2HB HIS 20 -4.705 5.145 -1.639
133 HB3 HIS 20 3HB HIS 20 -4.376 3.573 -2.362
134 HD2 HIS 20 2HD HIS 20 -7.001 3.377 -4.319
135 HE1 HIS 20 1HE HIS 20 -5.588 7.064 -5.873
136 HE2 HIS 20 2HE HIS 20 -7.147 5.117 -6.228
137 H SER 21 HN SER 21 -6.725 1.265 -0.819
138 HA SER 21 HA SER 21 -5.635 1.183 1.813
139 HB2 SER 21 2HB SER 21 -5.944 -1.349 1.474
140 HB3 SER 21 3HB SER 21 -7.389 -0.342 1.410
141 HG SER 21 HG SER 21 -7.433 -0.534 -0.780
142 H PHE 22 HN PHE 22 -3.877 -0.202 2.515
143 HA PHE 22 HA PHE 22 -1.922 -1.044 0.564
144 HB2 PHE 22 2HB PHE 22 -1.396 1.274 2.423
145 HB3 PHE 22 3HB PHE 22 -0.105 0.343 1.670
146 HD1 PHE 22 1HD PHE 22 0.333 0.513 -0.700
147 HD2 PHE 22 2HD PHE 22 -2.794 2.754 1.121
148 HE1 PHE 22 1HE PHE 22 0.187 1.932 -2.705
149 HE2 PHE 22 2HE PHE 22 -2.946 4.175 -0.881
150 HZ PHE 22 HZ PHE 22 -1.456 3.765 -2.798
151 H CYS 23 HN CYS 23 -1.989 -3.085 1.404
152 HA CYS 23 HA CYS 23 -2.114 -3.835 4.064
153 HB2 CYS 23 2HB CYS 23 -1.391 -6.002 3.374
154 HB3 CYS 23 3HB CYS 23 -2.323 -5.333 2.039
155 H GLN 24 HN GLN 24 -0.586 -4.412 5.619
156 HA GLN 24 HA GLN 24 1.597 -2.753 5.955
157 HB2 GLN 24 2HB GLN 24 0.450 -4.179 7.704
158 HB3 GLN 24 3HB GLN 24 1.399 -5.534 7.110
159 HG2 GLN 24 2HG GLN 24 2.712 -4.853 8.836
160 HG3 GLN 24 3HG GLN 24 3.405 -3.895 7.530
161 HE21 GLN 24 1HE2 GLN 24 3.737 -1.854 8.001
162 HE22 GLN 24 2HE2 GLN 24 2.857 -0.913 9.151
163 H LYS 25 HN LYS 25 1.395 -5.856 4.343
164 HA LYS 25 HA LYS 25 4.132 -6.439 4.160
165 HB2 LYS 25 2HB LYS 25 1.915 -7.130 2.222
166 HB3 LYS 25 3HB LYS 25 3.504 -7.885 2.265
167 HG2 LYS 25 2HG LYS 25 2.223 -7.989 4.851
168 HG3 LYS 25 3HG LYS 25 1.219 -8.720 3.597
169 HD2 LYS 25 2HD LYS 25 2.827 -10.318 3.070
170 HD3 LYS 25 3HD LYS 25 4.135 -9.380 3.793
171 HE2 LYS 25 2HE LYS 25 2.969 -9.753 6.018
172 HE3 LYS 25 3HE LYS 25 1.972 -10.943 5.182
173 HZ1 LYS 25 1HZ LYS 25 3.585 -12.425 5.382
174 HZ2 LYS 25 2HZ LYS 25 4.497 -11.315 6.275
175 HZ3 LYS 25 3HZ LYS 25 4.689 -11.409 4.597
176 H CYS 26 HN CYS 26 2.056 -4.352 2.256
177 HA CYS 26 HA CYS 26 4.060 -3.890 0.229
178 HB2 CYS 26 2HB CYS 26 1.271 -2.969 0.735
179 HB3 CYS 26 3HB CYS 26 2.294 -1.966 -0.288
180 H ILE 27 HN ILE 27 2.597 -2.021 2.872
181 HA ILE 27 HA ILE 27 4.004 0.356 2.508
182 HB ILE 27 HB ILE 27 2.543 -0.894 4.745
183 HG12 ILE 27 2HG1 ILE 27 2.662 1.977 3.810
184 HG13 ILE 27 3HG1 ILE 27 1.631 0.760 3.068
185 HG21 ILE 27 1HG2 ILE 27 4.731 1.114 5.188
186 HG22 ILE 27 2HG2 ILE 27 3.354 0.975 6.280
187 HG23 ILE 27 3HG2 ILE 27 4.432 -0.399 6.043
188 HD11 ILE 27 1HD1 ILE 27 0.190 1.792 4.525
189 HD12 ILE 27 2HD1 ILE 27 0.750 0.424 5.488
190 HD13 ILE 27 3HD1 ILE 27 1.431 2.028 5.756
191 H ASP 28 HN ASP 28 4.956 -2.643 4.041
192 HA ASP 28 HA ASP 28 7.147 -1.838 5.524
193 HB2 ASP 28 2HB ASP 28 6.035 -4.259 4.809
194 HB3 ASP 28 3HB ASP 28 7.621 -4.320 4.045
195 H LYS 29 HN LYS 29 7.139 -2.904 2.122
196 HA LYS 29 HA LYS 29 9.874 -2.277 1.690
197 HB2 LYS 29 2HB LYS 29 7.583 -2.756 -0.217
198 HB3 LYS 29 3HB LYS 29 9.240 -2.493 -0.746
199 HG2 LYS 29 2HG LYS 29 9.934 -4.466 0.567
200 HG3 LYS 29 3HG LYS 29 8.240 -4.751 0.976
201 HD2 LYS 29 2HD LYS 29 7.935 -4.649 -1.636
202 HD3 LYS 29 3HD LYS 29 9.650 -5.069 -1.633
203 HE2 LYS 29 2HE LYS 29 8.871 -7.180 -1.547
204 HE3 LYS 29 3HE LYS 29 8.707 -6.839 0.175
205 HZ1 LYS 29 1HZ LYS 29 6.415 -6.331 -0.116
206 HZ2 LYS 29 2HZ LYS 29 6.700 -7.819 -0.869
207 HZ3 LYS 29 3HZ LYS 29 6.535 -6.417 -1.802
208 H TRP 30 HN TRP 30 7.116 -0.794 0.002
209 HA TRP 30 HA TRP 30 8.507 1.542 -0.693
210 HB2 TRP 30 2HB TRP 30 5.519 1.470 -0.362
211 HB3 TRP 30 3HB TRP 30 6.476 2.340 -1.558
212 HD1 TRP 30 1HD TRP 30 4.327 -0.577 -1.305
213 HE1 TRP 30 1HE TRP 30 4.708 -2.202 -3.265
214 HE3 TRP 30 3HE TRP 30 8.744 1.299 -3.069
215 HZ2 TRP 30 2HZ TRP 30 6.627 -2.632 -5.290
216 HZ3 TRP 30 3HZ TRP 30 9.787 0.223 -5.021
217 HH2 TRP 30 2HH TRP 30 8.749 -1.702 -6.107
218 H SER 31 HN SER 31 7.062 3.721 -0.043
219 HA SER 31 HA SER 31 7.047 5.374 1.531
220 HB2 SER 31 2HB SER 31 5.795 3.113 3.104
221 HB3 SER 31 3HB SER 31 5.767 4.804 3.601
222 HG SER 31 HG SER 31 4.843 5.048 1.313
223 H ASP 32 HN ASP 32 9.480 5.060 1.473
224 HA ASP 32 HA ASP 32 10.468 4.213 4.116
225 HB2 ASP 32 2HB ASP 32 11.537 2.887 2.462
226 HB3 ASP 32 3HB ASP 32 11.812 4.278 1.418
227 H ARG 33 HN ARG 33 9.878 6.874 2.134
228 HA ARG 33 HA ARG 33 11.684 8.547 3.754
229 HB2 ARG 33 2HB ARG 33 12.188 8.351 1.252
230 HB3 ARG 33 3HB ARG 33 10.712 9.273 0.997
231 HG2 ARG 33 2HG ARG 33 12.252 10.952 0.984
232 HG3 ARG 33 3HG ARG 33 11.838 10.927 2.699
233 HD2 ARG 33 2HD ARG 33 13.827 9.107 2.653
234 HD3 ARG 33 3HD ARG 33 14.335 10.160 1.334
235 HE ARG 33 HE ARG 33 13.621 11.564 3.741
236 HH11 ARG 33 1HH1 ARG 33 16.171 9.946 2.010
237 HH12 ARG 33 2HH1 ARG 33 17.442 10.786 2.836
238 HH21 ARG 33 1HH2 ARG 33 15.284 12.677 4.834
239 HH22 ARG 33 2HH2 ARG 33 16.936 12.340 4.443
240 H HIS 34 HN HIS 34 8.809 8.953 1.677
241 HA HIS 34 HA HIS 34 7.691 10.737 3.732
242 HB2 HIS 34 2HB HIS 34 6.127 11.205 1.578
243 HB3 HIS 34 3HB HIS 34 7.603 12.103 1.922
244 HD2 HIS 34 2HD HIS 34 7.317 8.580 0.133
245 HE1 HIS 34 1HE HIS 34 9.365 11.308 -2.390
246 HE2 HIS 34 2HE HIS 34 8.498 8.957 -2.138
247 H ARG 35 HN ARG 35 5.075 10.781 3.118
248 HA ARG 35 HA ARG 35 4.221 7.985 3.492
249 HB2 ARG 35 2HB ARG 35 2.333 8.915 4.828
250 HB3 ARG 35 3HB ARG 35 3.913 9.195 5.546
251 HG2 ARG 35 2HG ARG 35 3.566 11.454 4.058
252 HG3 ARG 35 3HG ARG 35 1.920 11.099 4.585
253 HD2 ARG 35 2HD ARG 35 2.610 11.072 6.890
254 HD3 ARG 35 3HD ARG 35 4.303 11.239 6.425
255 HE ARG 35 HE ARG 35 3.215 13.443 5.358
256 HH11 ARG 35 1HH1 ARG 35 2.957 12.027 8.528
257 HH12 ARG 35 2HH1 ARG 35 2.726 13.545 9.331
258 HH21 ARG 35 1HH2 ARG 35 2.911 15.448 6.403
259 HH22 ARG 35 2HH2 ARG 35 2.699 15.490 8.120
260 H ASN 36 HN ASN 36 4.442 9.747 1.041
261 HA ASN 36 HA ASN 36 1.841 10.429 0.175
262 HB2 ASN 36 2HB ASN 36 3.947 9.620 -1.789
263 HB3 ASN 36 3HB ASN 36 2.815 10.969 -1.853
264 HD21 ASN 36 1HD2 ASN 36 3.362 11.908 0.800
265 HD22 ASN 36 2HD2 ASN 36 4.929 12.636 0.763
266 H CYS 37 HN CYS 37 1.413 9.291 -2.247
267 HA CYS 37 HA CYS 37 1.204 6.403 -1.734
268 HB2 CYS 37 2HB CYS 37 -0.975 7.003 -1.225
269 HB3 CYS 37 3HB CYS 37 -0.982 8.345 -2.364
270 HA PRO 38 HA PRO 38 2.764 5.997 -5.830
271 HB2 PRO 38 2HB PRO 38 1.902 3.481 -6.373
272 HB3 PRO 38 3HB PRO 38 3.242 3.820 -5.271
273 HG2 PRO 38 2HG PRO 38 0.378 3.215 -4.641
274 HG3 PRO 38 3HG PRO 38 1.848 2.612 -3.854
275 HD2 PRO 38 2HD PRO 38 0.356 4.618 -2.813
276 HD3 PRO 38 3HD PRO 38 2.117 4.531 -2.604
277 H ILE 39 HN ILE 39 -0.534 4.683 -5.432
278 HA ILE 39 HA ILE 39 -1.329 4.909 -8.093
279 HB ILE 39 HB ILE 39 -3.059 5.147 -5.629
280 HG12 ILE 39 2HG1 ILE 39 -3.342 2.634 -6.884
281 HG13 ILE 39 3HG1 ILE 39 -1.611 2.940 -6.781
282 HG21 ILE 39 1HG2 ILE 39 -4.759 4.153 -7.326
283 HG22 ILE 39 2HG2 ILE 39 -4.436 5.885 -7.328
284 HG23 ILE 39 3HG2 ILE 39 -3.680 4.847 -8.537
285 HD11 ILE 39 1HD1 ILE 39 -1.581 2.777 -4.534
286 HD12 ILE 39 2HD1 ILE 39 -3.192 3.472 -4.348
287 HD13 ILE 39 3HD1 ILE 39 -3.008 1.786 -4.831
288 H CYS 40 HN CYS 40 -1.004 7.323 -5.636
289 HA CYS 40 HA CYS 40 -2.589 9.280 -7.084
290 HB2 CYS 40 2HB CYS 40 -1.016 9.401 -4.510
291 HB3 CYS 40 3HB CYS 40 -1.802 10.810 -5.216
292 H ARG 41 HN ARG 41 0.804 8.686 -6.268
293 HA ARG 41 HA ARG 41 1.752 11.021 -7.632
294 HB2 ARG 41 2HB ARG 41 3.143 8.587 -6.517
295 HB3 ARG 41 3HB ARG 41 4.003 9.893 -7.321
296 HG2 ARG 41 2HG ARG 41 2.597 11.312 -5.526
297 HG3 ARG 41 3HG ARG 41 2.779 9.794 -4.645
298 HD2 ARG 41 2HD ARG 41 4.766 10.616 -4.020
299 HD3 ARG 41 3HD ARG 41 5.290 10.174 -5.644
300 HE ARG 41 HE ARG 41 5.613 12.393 -6.002
301 HH11 ARG 41 1HH1 ARG 41 3.016 12.031 -3.710
302 HH12 ARG 41 2HH1 ARG 41 2.758 13.735 -3.538
303 HH21 ARG 41 1HH2 ARG 41 5.282 14.639 -5.782
304 HH22 ARG 41 2HH2 ARG 41 4.046 15.218 -4.717
305 H LEU 42 HN LEU 42 0.842 7.871 -8.583
306 HA LEU 42 HA LEU 42 1.879 8.390 -11.279
307 HB2 LEU 42 2HB LEU 42 2.938 6.402 -11.488
308 HB3 LEU 42 3HB LEU 42 3.133 6.620 -9.749
309 HG LEU 42 HG LEU 42 0.795 5.252 -9.829
310 HD11 LEU 42 1HD1 LEU 42 2.467 4.095 -12.050
311 HD12 LEU 42 2HD1 LEU 42 0.992 5.029 -12.297
312 HD13 LEU 42 3HD1 LEU 42 0.927 3.489 -11.441
313 HD21 LEU 42 1HD2 LEU 42 3.301 3.660 -9.953
314 HD22 LEU 42 2HD2 LEU 42 1.968 3.585 -8.800
315 HD23 LEU 42 3HD2 LEU 42 3.154 4.887 -8.695
Start of MODEL 11
1 H1 GLU 1 HN GLU 1 -11.956 2.479 1.406
2 HA GLU 1 HA GLU 1 -13.226 -0.120 0.940
3 HB2 GLU 1 2HB GLU 1 -10.824 0.957 -0.520
4 HB3 GLU 1 3HB GLU 1 -11.952 -0.285 -1.045
5 HG2 GLU 1 2HG GLU 1 -13.709 1.404 -1.253
6 HG3 GLU 1 3HG GLU 1 -12.565 2.647 -0.748
7 H GLU 2 HN GLU 2 -11.863 -2.048 0.868
8 HA GLU 2 HA GLU 2 -9.655 -1.895 2.815
9 HB2 GLU 2 2HB GLU 2 -12.037 -3.425 2.898
10 HB3 GLU 2 3HB GLU 2 -10.718 -4.550 2.603
11 HG2 GLU 2 2HG GLU 2 -9.655 -4.021 4.602
12 HG3 GLU 2 3HG GLU 2 -10.540 -2.508 4.782
13 H GLU 3 HN GLU 3 -8.605 -4.395 2.564
14 HA GLU 3 HA GLU 3 -7.107 -5.608 1.356
15 HB2 GLU 3 2HB GLU 3 -8.534 -4.919 -1.184
16 HB3 GLU 3 3HB GLU 3 -7.792 -6.438 -0.701
17 HG2 GLU 3 2HG GLU 3 -9.600 -7.045 0.628
18 HG3 GLU 3 3HG GLU 3 -10.212 -5.394 0.713
19 H CYS 4 HN CYS 4 -5.221 -5.378 0.129
20 HA CYS 4 HA CYS 4 -4.200 -2.754 -0.059
21 HB2 CYS 4 2HB CYS 4 -2.884 -4.900 0.293
22 HB3 CYS 4 3HB CYS 4 -3.056 -5.185 -1.437
23 H CYS 5 HN CYS 5 -3.636 -1.510 -1.863
24 HA CYS 5 HA CYS 5 -5.339 -1.979 -4.191
25 HB2 CYS 5 2HB CYS 5 -5.307 0.235 -2.928
26 HB3 CYS 5 3HB CYS 5 -3.708 0.491 -3.613
27 HG CYS 5 HG CYS 5 -4.563 0.531 -6.253
28 H ILE 6 HN ILE 6 -2.108 -2.284 -3.219
29 HA ILE 6 HA ILE 6 -1.051 -2.037 -5.930
30 HB ILE 6 HB ILE 6 0.283 -2.459 -3.263
31 HG12 ILE 6 2HG1 ILE 6 0.296 -0.237 -5.310
32 HG13 ILE 6 3HG1 ILE 6 -0.326 -0.173 -3.664
33 HG21 ILE 6 1HG2 ILE 6 1.523 -3.819 -4.764
34 HG22 ILE 6 2HG2 ILE 6 1.482 -2.584 -6.020
35 HG23 ILE 6 3HG2 ILE 6 2.431 -2.321 -4.557
36 HD11 ILE 6 1HD1 ILE 6 2.531 -0.282 -4.565
37 HD12 ILE 6 2HD1 ILE 6 1.718 0.975 -3.632
38 HD13 ILE 6 3HD1 ILE 6 2.045 -0.596 -2.900
39 H CYS 7 HN CYS 7 -1.201 -4.452 -3.319
40 HA CYS 7 HA CYS 7 -0.777 -6.545 -5.351
41 HB2 CYS 7 2HB CYS 7 0.217 -7.924 -3.662
42 HB3 CYS 7 3HB CYS 7 0.985 -6.342 -3.570
43 H MET 8 HN MET 8 -3.304 -5.593 -5.154
44 HA MET 8 HA MET 8 -5.142 -6.394 -3.401
45 HB2 MET 8 2HB MET 8 -6.168 -5.510 -5.234
46 HB3 MET 8 3HB MET 8 -5.120 -6.356 -6.363
47 HG2 MET 8 2HG MET 8 -6.457 -8.186 -6.458
48 HG3 MET 8 3HG MET 8 -7.038 -7.984 -4.807
49 HE1 MET 8 1HE MET 8 -8.754 -6.100 -8.614
50 HE2 MET 8 2HE MET 8 -7.067 -5.831 -8.178
51 HE3 MET 8 3HE MET 8 -7.642 -7.466 -8.506
52 H ASP 9 HN ASP 9 -4.632 -8.166 -2.151
53 HA ASP 9 HA ASP 9 -5.328 -10.733 -3.295
54 HB2 ASP 9 2HB ASP 9 -2.924 -10.654 -3.728
55 HB3 ASP 9 3HB ASP 9 -2.614 -10.276 -2.036
56 H GLY 10 HN GLY 10 -3.668 -9.519 -0.371
57 HA2 GLY 10 1HA GLY 10 -5.342 -11.186 1.304
58 HA3 GLY 10 2HA GLY 10 -4.041 -10.135 1.842
59 H ARG 11 HN ARG 11 -4.730 -8.586 3.142
60 HA ARG 11 HA ARG 11 -7.334 -7.332 2.567
61 HB2 ARG 11 2HB ARG 11 -6.157 -7.822 5.308
62 HB3 ARG 11 3HB ARG 11 -7.713 -7.081 4.957
63 HG2 ARG 11 2HG ARG 11 -8.599 -9.100 5.177
64 HG3 ARG 11 3HG ARG 11 -7.821 -9.518 3.649
65 HD2 ARG 11 2HD ARG 11 -7.062 -11.189 5.054
66 HD3 ARG 11 3HD ARG 11 -5.752 -10.012 5.135
67 HE ARG 11 HE ARG 11 -7.672 -9.565 7.182
68 HH11 ARG 11 1HH1 ARG 11 -5.010 -11.616 6.271
69 HH12 ARG 11 2HH1 ARG 11 -4.582 -12.006 7.904
70 HH21 ARG 11 1HH2 ARG 11 -7.117 -10.071 9.336
71 HH22 ARG 11 2HH2 ARG 11 -5.782 -11.127 9.647
72 H ALA 12 HN ALA 12 -7.442 -5.204 4.032
73 HA ALA 12 HA ALA 12 -5.041 -3.669 3.314
74 HB1 ALA 12 1HB ALA 12 -7.924 -2.903 3.626
75 HB2 ALA 12 2HB ALA 12 -6.641 -1.692 3.630
76 HB3 ALA 12 3HB ALA 12 -6.875 -2.724 2.219
77 H ASP 13 HN ASP 13 -3.765 -2.892 4.860
78 HA ASP 13 HA ASP 13 -4.713 -2.997 7.636
79 HB2 ASP 13 2HB ASP 13 -2.502 -4.124 6.667
80 HB3 ASP 13 3HB ASP 13 -1.845 -2.521 6.988
81 H LEU 14 HN LEU 14 -3.753 -0.844 5.136
82 HA LEU 14 HA LEU 14 -4.122 1.416 6.963
83 HB2 LEU 14 2HB LEU 14 -1.634 0.707 6.202
84 HB3 LEU 14 3HB LEU 14 -2.072 1.780 4.874
85 HG LEU 14 HG LEU 14 -1.113 3.312 6.236
86 HD11 LEU 14 1HD1 LEU 14 -3.580 3.364 7.883
87 HD12 LEU 14 2HD1 LEU 14 -3.746 3.565 6.139
88 HD13 LEU 14 3HD1 LEU 14 -2.736 4.677 7.062
89 HD21 LEU 14 1HD2 LEU 14 -0.881 3.148 8.611
90 HD22 LEU 14 2HD2 LEU 14 -0.507 1.570 7.917
91 HD23 LEU 14 3HD2 LEU 14 -2.069 1.847 8.690
92 H ILE 15 HN ILE 15 -6.019 2.127 6.160
93 HA ILE 15 HA ILE 15 -6.407 2.326 3.280
94 HB ILE 15 HB ILE 15 -8.327 3.112 5.472
95 HG12 ILE 15 2HG1 ILE 15 -8.172 0.504 3.945
96 HG13 ILE 15 3HG1 ILE 15 -7.660 0.723 5.615
97 HG21 ILE 15 1HG2 ILE 15 -8.962 2.339 2.640
98 HG22 ILE 15 2HG2 ILE 15 -9.999 3.144 3.817
99 HG23 ILE 15 3HG2 ILE 15 -8.630 4.005 3.112
100 HD11 ILE 15 1HD1 ILE 15 -10.145 -0.075 4.767
101 HD12 ILE 15 2HD1 ILE 15 -9.737 0.527 6.375
102 HD13 ILE 15 3HD1 ILE 15 -10.377 1.629 5.156
103 H LEU 16 HN LEU 16 -5.121 3.996 2.586
104 HA LEU 16 HA LEU 16 -4.661 6.428 3.820
105 HB2 LEU 16 2HB LEU 16 -4.702 5.572 0.953
106 HB3 LEU 16 3HB LEU 16 -4.418 7.260 1.373
107 HG LEU 16 HG LEU 16 -2.694 4.868 1.942
108 HD11 LEU 16 1HD1 LEU 16 -2.704 6.856 -0.025
109 HD12 LEU 16 2HD1 LEU 16 -1.428 5.686 0.315
110 HD13 LEU 16 3HD1 LEU 16 -1.390 7.277 1.074
111 HD21 LEU 16 1HD2 LEU 16 -2.730 5.956 4.040
112 HD22 LEU 16 2HD2 LEU 16 -2.671 7.554 3.298
113 HD23 LEU 16 3HD2 LEU 16 -1.259 6.499 3.234
114 HA PRO 17 HA PRO 17 -8.329 8.820 3.540
115 HB2 PRO 17 2HB PRO 17 -7.344 11.298 3.033
116 HB3 PRO 17 3HB PRO 17 -7.186 10.505 4.604
117 HG2 PRO 17 2HG PRO 17 -5.189 10.729 2.385
118 HG3 PRO 17 3HG PRO 17 -4.947 10.920 4.131
119 HD2 PRO 17 2HD PRO 17 -4.300 8.646 2.810
120 HD3 PRO 17 3HD PRO 17 -4.861 8.645 4.496
121 H CYS 18 HN CYS 18 -6.555 8.066 0.867
122 HA CYS 18 HA CYS 18 -8.231 9.660 -0.950
123 HB2 CYS 18 2HB CYS 18 -5.841 9.934 -1.326
124 HB3 CYS 18 3HB CYS 18 -5.638 8.191 -1.465
125 H ALA 19 HN ALA 19 -8.346 6.794 0.517
126 HA ALA 19 HA ALA 19 -9.771 5.024 0.137
127 HB1 ALA 19 1HB ALA 19 -10.672 6.752 -1.729
128 HB2 ALA 19 2HB ALA 19 -10.077 5.451 -2.760
129 HB3 ALA 19 3HB ALA 19 -11.289 5.112 -1.524
130 H HIS 20 HN HIS 20 -6.781 5.480 -0.770
131 HA HIS 20 HA HIS 20 -6.520 2.978 -2.295
132 HB2 HIS 20 2HB HIS 20 -4.755 5.405 -2.060
133 HB3 HIS 20 3HB HIS 20 -4.127 3.872 -2.657
134 HD2 HIS 20 2HD HIS 20 -6.585 3.058 -4.656
135 HE1 HIS 20 1HE HIS 20 -5.844 6.837 -6.434
136 HE2 HIS 20 2HE HIS 20 -6.989 4.608 -6.686
137 H SER 21 HN SER 21 -6.544 1.457 -0.687
138 HA SER 21 HA SER 21 -5.130 1.719 1.762
139 HB2 SER 21 2HB SER 21 -5.730 -1.002 0.732
140 HB3 SER 21 3HB SER 21 -6.051 -0.300 2.317
141 HG SER 21 HG SER 21 -7.603 1.056 0.870
142 H PHE 22 HN PHE 22 -3.412 0.170 2.454
143 HA PHE 22 HA PHE 22 -1.676 -0.881 0.403
144 HB2 PHE 22 2HB PHE 22 -0.824 1.476 2.094
145 HB3 PHE 22 3HB PHE 22 0.296 0.465 1.187
146 HD1 PHE 22 1HD PHE 22 -2.113 3.151 1.033
147 HD2 PHE 22 2HD PHE 22 0.199 0.432 -1.287
148 HE1 PHE 22 1HE PHE 22 -2.475 4.548 -0.960
149 HE2 PHE 22 2HE PHE 22 -0.157 1.826 -3.282
150 HZ PHE 22 HZ PHE 22 -1.496 3.888 -3.121
151 H CYS 23 HN CYS 23 -1.892 -2.851 1.432
152 HA CYS 23 HA CYS 23 -1.873 -3.537 4.041
153 HB2 CYS 23 2HB CYS 23 -1.029 -5.684 3.431
154 HB3 CYS 23 3HB CYS 23 -1.958 -5.097 2.055
155 H GLN 24 HN GLN 24 -0.430 -3.810 5.696
156 HA GLN 24 HA GLN 24 1.731 -2.105 5.929
157 HB2 GLN 24 2HB GLN 24 0.466 -3.416 7.748
158 HB3 GLN 24 3HB GLN 24 1.599 -4.718 7.414
159 HG2 GLN 24 2HG GLN 24 2.783 -3.740 9.048
160 HG3 GLN 24 3HG GLN 24 3.322 -2.688 7.741
161 HE21 GLN 24 1HE2 GLN 24 2.261 -0.645 7.483
162 HE22 GLN 24 2HE2 GLN 24 1.546 0.137 8.847
163 H LYS 25 HN LYS 25 1.575 -5.285 4.540
164 HA LYS 25 HA LYS 25 4.324 -5.919 4.604
165 HB2 LYS 25 2HB LYS 25 2.326 -6.794 2.515
166 HB3 LYS 25 3HB LYS 25 3.812 -7.616 2.977
167 HG2 LYS 25 2HG LYS 25 2.280 -7.330 5.322
168 HG3 LYS 25 3HG LYS 25 1.187 -7.895 4.056
169 HD2 LYS 25 2HD LYS 25 3.815 -9.228 4.175
170 HD3 LYS 25 3HD LYS 25 2.742 -9.525 5.544
171 HE2 LYS 25 2HE LYS 25 2.477 -11.199 3.759
172 HE3 LYS 25 3HE LYS 25 0.997 -10.289 4.053
173 HZ1 LYS 25 1HZ LYS 25 1.929 -8.807 2.146
174 HZ2 LYS 25 2HZ LYS 25 1.111 -10.242 1.784
175 HZ3 LYS 25 3HZ LYS 25 2.802 -10.199 1.740
176 H CYS 26 HN CYS 26 2.383 -3.965 2.453
177 HA CYS 26 HA CYS 26 4.500 -3.718 0.490
178 HB2 CYS 26 2HB CYS 26 1.677 -2.785 0.722
179 HB3 CYS 26 3HB CYS 26 2.759 -1.880 -0.332
180 H ILE 27 HN ILE 27 2.902 -1.666 2.900
181 HA ILE 27 HA ILE 27 4.343 0.688 2.365
182 HB ILE 27 HB ILE 27 2.764 -0.309 4.688
183 HG12 ILE 27 2HG1 ILE 27 2.666 2.107 2.876
184 HG13 ILE 27 3HG1 ILE 27 1.552 0.745 2.903
185 HG21 ILE 27 1HG2 ILE 27 4.588 2.088 4.763
186 HG22 ILE 27 2HG2 ILE 27 3.275 1.808 5.905
187 HG23 ILE 27 3HG2 ILE 27 4.626 0.678 5.822
188 HD11 ILE 27 1HD1 ILE 27 1.821 2.985 4.866
189 HD12 ILE 27 2HD1 ILE 27 0.399 2.458 3.965
190 HD13 ILE 27 3HD1 ILE 27 1.016 1.475 5.292
191 H ASP 28 HN ASP 28 5.364 -2.238 3.702
192 HA ASP 28 HA ASP 28 7.521 -1.038 5.260
193 HB2 ASP 28 2HB ASP 28 6.096 -3.149 5.899
194 HB3 ASP 28 3HB ASP 28 7.226 -3.990 4.841
195 H LYS 29 HN LYS 29 7.021 -3.018 2.379
196 HA LYS 29 HA LYS 29 9.814 -3.305 1.817
197 HB2 LYS 29 2HB LYS 29 7.265 -4.008 0.448
198 HB3 LYS 29 3HB LYS 29 8.715 -3.896 -0.541
199 HG2 LYS 29 2HG LYS 29 9.807 -5.586 0.755
200 HG3 LYS 29 3HG LYS 29 8.486 -5.605 1.926
201 HD2 LYS 29 2HD LYS 29 6.986 -6.254 -0.035
202 HD3 LYS 29 3HD LYS 29 8.478 -6.567 -0.924
203 HE2 LYS 29 2HE LYS 29 7.773 -7.825 1.724
204 HE3 LYS 29 3HE LYS 29 7.491 -8.583 0.158
205 HZ1 LYS 29 1HZ LYS 29 9.680 -9.004 1.549
206 HZ2 LYS 29 2HZ LYS 29 10.192 -7.625 0.715
207 HZ3 LYS 29 3HZ LYS 29 9.685 -8.991 -0.143
208 H TRP 30 HN TRP 30 7.550 -2.053 -0.568
209 HA TRP 30 HA TRP 30 9.304 -0.401 -1.878
210 HB2 TRP 30 2HB TRP 30 6.412 0.366 -1.549
211 HB3 TRP 30 3HB TRP 30 7.451 0.570 -2.958
212 HD1 TRP 30 1HD TRP 30 4.915 -1.731 -1.508
213 HE1 TRP 30 1HE TRP 30 4.706 -3.850 -2.957
214 HE3 TRP 30 3HE TRP 30 9.054 -1.117 -4.446
215 HZ2 TRP 30 2HZ TRP 30 6.112 -5.095 -5.065
216 HZ3 TRP 30 3HZ TRP 30 9.551 -2.818 -6.154
217 HH2 TRP 30 2HH TRP 30 8.110 -4.764 -6.455
218 H SER 31 HN SER 31 10.586 1.046 -0.910
219 HA SER 31 HA SER 31 10.072 2.450 1.430
220 HB2 SER 31 2HB SER 31 12.319 2.407 0.751
221 HB3 SER 31 3HB SER 31 11.932 2.953 -0.881
222 HG SER 31 HG SER 31 12.870 4.519 0.725
223 H ASP 32 HN ASP 32 7.959 3.273 1.351
224 HA ASP 32 HA ASP 32 7.155 5.142 -0.672
225 HB2 ASP 32 2HB ASP 32 5.922 4.395 1.987
226 HB3 ASP 32 3HB ASP 32 5.175 5.489 0.825
227 H ARG 33 HN ARG 33 8.336 6.974 -0.756
228 HA ARG 33 HA ARG 33 9.711 8.332 1.111
229 HB2 ARG 33 2HB ARG 33 7.944 9.515 -1.034
230 HB3 ARG 33 3HB ARG 33 9.126 10.441 -0.118
231 HG2 ARG 33 2HG ARG 33 10.862 8.807 -0.958
232 HG3 ARG 33 3HG ARG 33 9.624 8.211 -2.065
233 HD2 ARG 33 2HD ARG 33 10.330 9.801 -3.464
234 HD3 ARG 33 3HD ARG 33 9.493 10.935 -2.403
235 HE ARG 33 HE ARG 33 11.524 11.728 -1.727
236 HH11 ARG 33 1HH1 ARG 33 11.974 8.610 -3.208
237 HH12 ARG 33 2HH1 ARG 33 13.703 8.691 -3.158
238 HH21 ARG 33 1HH2 ARG 33 13.800 11.847 -1.656
239 HH22 ARG 33 2HH2 ARG 33 14.742 10.532 -2.274
240 H HIS 34 HN HIS 34 6.248 8.896 0.476
241 HA HIS 34 HA HIS 34 5.926 9.665 3.284
242 HB2 HIS 34 2HB HIS 34 4.298 11.484 2.363
243 HB3 HIS 34 3HB HIS 34 6.027 11.814 2.406
244 HD2 HIS 34 2HD HIS 34 6.977 12.728 0.047
245 HE1 HIS 34 1HE HIS 34 3.898 11.235 -2.460
246 HE2 HIS 34 2HE HIS 34 6.059 12.525 -2.361
247 H ARG 35 HN ARG 35 3.830 9.358 4.124
248 HA ARG 35 HA ARG 35 2.359 7.257 2.804
249 HB2 ARG 35 2HB ARG 35 1.788 8.682 5.410
250 HB3 ARG 35 3HB ARG 35 1.013 7.206 4.849
251 HG2 ARG 35 2HG ARG 35 2.565 6.097 5.981
252 HG3 ARG 35 3HG ARG 35 3.717 6.621 4.751
253 HD2 ARG 35 2HD ARG 35 3.089 8.495 6.971
254 HD3 ARG 35 3HD ARG 35 4.100 7.095 7.331
255 HE ARG 35 HE ARG 35 4.807 9.392 5.728
256 HH11 ARG 35 1HH1 ARG 35 5.533 6.086 6.543
257 HH12 ARG 35 2HH1 ARG 35 7.182 6.181 6.017
258 HH21 ARG 35 1HH2 ARG 35 6.975 9.530 5.033
259 HH22 ARG 35 2HH2 ARG 35 8.001 8.141 5.159
260 H ASN 36 HN ASN 36 2.221 9.449 1.208
261 HA ASN 36 HA ASN 36 -0.300 10.810 1.732
262 HB2 ASN 36 2HB ASN 36 1.851 11.145 -0.351
263 HB3 ASN 36 3HB ASN 36 0.298 11.964 -0.486
264 HD21 ASN 36 1HD2 ASN 36 -0.247 12.695 2.048
265 HD22 ASN 36 2HD2 ASN 36 0.948 13.798 2.631
266 H CYS 37 HN CYS 37 1.073 9.268 -1.177
267 HA CYS 37 HA CYS 37 -0.898 7.346 -1.548
268 HB2 CYS 37 2HB CYS 37 -1.987 9.855 -1.955
269 HB3 CYS 37 3HB CYS 37 -1.591 9.322 -3.585
270 HA PRO 38 HA PRO 38 2.769 7.167 -4.336
271 HB2 PRO 38 2HB PRO 38 3.270 4.542 -3.857
272 HB3 PRO 38 3HB PRO 38 3.878 5.840 -2.824
273 HG2 PRO 38 2HG PRO 38 1.498 4.066 -2.435
274 HG3 PRO 38 3HG PRO 38 2.715 4.581 -1.252
275 HD2 PRO 38 2HD PRO 38 0.270 5.731 -1.422
276 HD3 PRO 38 3HD PRO 38 1.717 6.634 -0.933
277 H ILE 39 HN ILE 39 -0.347 6.109 -4.379
278 HA ILE 39 HA ILE 39 -0.024 4.369 -6.713
279 HB ILE 39 HB ILE 39 -2.206 4.817 -4.744
280 HG12 ILE 39 2HG1 ILE 39 -0.459 2.839 -5.030
281 HG13 ILE 39 3HG1 ILE 39 -2.103 2.538 -4.476
282 HG21 ILE 39 1HG2 ILE 39 -3.439 5.349 -6.686
283 HG22 ILE 39 2HG2 ILE 39 -2.657 4.077 -7.622
284 HG23 ILE 39 3HG2 ILE 39 -3.792 3.656 -6.339
285 HD11 ILE 39 1HD1 ILE 39 -1.319 0.942 -6.188
286 HD12 ILE 39 2HD1 ILE 39 -2.764 1.831 -6.671
287 HD13 ILE 39 3HD1 ILE 39 -1.190 2.279 -7.331
288 H CYS 40 HN CYS 40 -1.131 7.528 -5.776
289 HA CYS 40 HA CYS 40 -2.396 8.029 -8.344
290 HB2 CYS 40 2HB CYS 40 -2.061 9.649 -5.827
291 HB3 CYS 40 3HB CYS 40 -2.658 10.376 -7.317
292 H ARG 41 HN ARG 41 0.623 8.588 -6.743
293 HA ARG 41 HA ARG 41 1.679 10.770 -8.008
294 HB2 ARG 41 2HB ARG 41 3.858 9.847 -7.611
295 HB3 ARG 41 3HB ARG 41 2.817 9.371 -6.275
296 HG2 ARG 41 2HG ARG 41 2.953 7.181 -6.773
297 HG3 ARG 41 3HG ARG 41 2.963 7.467 -8.514
298 HD2 ARG 41 2HD ARG 41 5.305 8.216 -8.351
299 HD3 ARG 41 3HD ARG 41 5.282 7.854 -6.625
300 HE ARG 41 HE ARG 41 4.552 5.613 -8.259
301 HH11 ARG 41 1HH1 ARG 41 7.217 7.405 -6.914
302 HH12 ARG 41 2HH1 ARG 41 8.312 6.064 -6.962
303 HH21 ARG 41 1HH2 ARG 41 5.985 3.840 -8.325
304 HH22 ARG 41 2HH2 ARG 41 7.610 4.036 -7.765
305 H LEU 42 HN LEU 42 0.851 7.728 -9.404
306 HA LEU 42 HA LEU 42 2.496 7.599 -11.626
307 HB2 LEU 42 2HB LEU 42 -0.395 6.826 -11.303
308 HB3 LEU 42 3HB LEU 42 0.564 6.429 -12.728
309 HG LEU 42 HG LEU 42 1.385 5.547 -9.976
310 HD11 LEU 42 1HD1 LEU 42 -0.864 4.618 -11.566
311 HD12 LEU 42 2HD1 LEU 42 -0.434 4.264 -9.894
312 HD13 LEU 42 3HD1 LEU 42 0.296 3.339 -11.205
313 HD21 LEU 42 1HD2 LEU 42 2.974 4.346 -11.018
314 HD22 LEU 42 2HD2 LEU 42 2.726 5.499 -12.329
315 HD23 LEU 42 3HD2 LEU 42 1.921 3.930 -12.370
Start of MODEL 12
1 H1 GLU 1 HN GLU 1 -14.590 -5.991 5.800
2 HA GLU 1 HA GLU 1 -13.662 -3.670 5.182
3 HB2 GLU 1 2HB GLU 1 -12.423 -5.922 6.326
4 HB3 GLU 1 3HB GLU 1 -11.266 -5.276 5.170
5 HG2 GLU 1 2HG GLU 1 -11.472 -3.067 6.232
6 HG3 GLU 1 3HG GLU 1 -12.569 -3.764 7.422
7 H GLU 2 HN GLU 2 -11.232 -3.373 4.041
8 HA GLU 2 HA GLU 2 -11.816 -3.846 1.201
9 HB2 GLU 2 2HB GLU 2 -10.401 -1.678 2.689
10 HB3 GLU 2 3HB GLU 2 -9.906 -2.019 1.037
11 HG2 GLU 2 2HG GLU 2 -12.283 -1.721 0.342
12 HG3 GLU 2 3HG GLU 2 -12.636 -1.189 1.985
13 H GLU 3 HN GLU 3 -9.547 -3.668 -0.076
14 HA GLU 3 HA GLU 3 -7.591 -5.425 1.220
15 HB2 GLU 3 2HB GLU 3 -8.790 -5.916 -1.512
16 HB3 GLU 3 3HB GLU 3 -7.445 -6.812 -0.821
17 HG2 GLU 3 2HG GLU 3 -9.129 -7.273 1.120
18 HG3 GLU 3 3HG GLU 3 -10.334 -6.879 -0.105
19 H CYS 4 HN CYS 4 -5.492 -5.401 0.228
20 HA CYS 4 HA CYS 4 -4.452 -2.948 -0.340
21 HB2 CYS 4 2HB CYS 4 -3.251 -5.194 0.074
22 HB3 CYS 4 3HB CYS 4 -3.345 -5.409 -1.672
23 H CYS 5 HN CYS 5 -4.213 -1.639 -2.073
24 HA CYS 5 HA CYS 5 -5.706 -2.361 -4.479
25 HB2 CYS 5 2HB CYS 5 -5.861 -0.058 -4.953
26 HB3 CYS 5 3HB CYS 5 -6.044 -0.162 -3.207
27 HG CYS 5 HG CYS 5 -3.214 0.432 -2.856
28 H ILE 6 HN ILE 6 -3.174 -3.605 -4.038
29 HA ILE 6 HA ILE 6 -1.856 -2.792 -6.502
30 HB ILE 6 HB ILE 6 -0.402 -2.915 -3.859
31 HG12 ILE 6 2HG1 ILE 6 -0.996 -0.723 -5.837
32 HG13 ILE 6 3HG1 ILE 6 -1.331 -0.758 -4.109
33 HG21 ILE 6 1HG2 ILE 6 0.813 -2.501 -6.584
34 HG22 ILE 6 2HG2 ILE 6 1.652 -2.683 -5.044
35 HG23 ILE 6 3HG2 ILE 6 0.793 -4.052 -5.747
36 HD11 ILE 6 1HD1 ILE 6 0.537 0.742 -4.806
37 HD12 ILE 6 2HD1 ILE 6 0.963 -0.454 -3.583
38 HD13 ILE 6 3HD1 ILE 6 1.444 -0.700 -5.261
39 H CYS 7 HN CYS 7 -1.067 -4.879 -3.719
40 HA CYS 7 HA CYS 7 -0.367 -7.047 -5.498
41 HB2 CYS 7 2HB CYS 7 0.374 -8.205 -3.525
42 HB3 CYS 7 3HB CYS 7 0.914 -6.533 -3.410
43 H MET 8 HN MET 8 -3.032 -6.136 -3.443
44 HA MET 8 HA MET 8 -5.040 -7.110 -2.976
45 HB2 MET 8 2HB MET 8 -5.001 -8.641 -5.518
46 HB3 MET 8 3HB MET 8 -6.260 -7.619 -4.840
47 HG2 MET 8 2HG MET 8 -4.384 -5.767 -5.378
48 HG3 MET 8 3HG MET 8 -4.040 -6.946 -6.642
49 HE1 MET 8 1HE MET 8 -5.033 -4.673 -8.584
50 HE2 MET 8 2HE MET 8 -6.227 -3.700 -7.724
51 HE3 MET 8 3HE MET 8 -4.687 -4.090 -6.956
52 H ASP 9 HN ASP 9 -2.974 -8.474 -1.797
53 HA ASP 9 HA ASP 9 -4.112 -11.134 -1.614
54 HB2 ASP 9 2HB ASP 9 -2.247 -11.135 -3.391
55 HB3 ASP 9 3HB ASP 9 -1.139 -10.916 -2.039
56 H GLY 10 HN GLY 10 -4.002 -8.849 0.128
57 HA2 GLY 10 1HA GLY 10 -3.048 -10.166 2.495
58 HA3 GLY 10 2HA GLY 10 -2.064 -8.779 2.055
59 H ARG 11 HN ARG 11 -5.406 -8.661 1.246
60 HA ARG 11 HA ARG 11 -7.086 -7.280 1.921
61 HB2 ARG 11 2HB ARG 11 -5.941 -8.307 4.488
62 HB3 ARG 11 3HB ARG 11 -7.185 -7.065 4.541
63 HG2 ARG 11 2HG ARG 11 -8.775 -8.564 4.191
64 HG3 ARG 11 3HG ARG 11 -7.961 -9.164 2.744
65 HD2 ARG 11 2HD ARG 11 -6.932 -10.863 3.859
66 HD3 ARG 11 3HD ARG 11 -6.841 -9.960 5.370
67 HE ARG 11 HE ARG 11 -9.528 -10.526 4.848
68 HH11 ARG 11 1HH1 ARG 11 -6.577 -12.192 5.644
69 HH12 ARG 11 2HH1 ARG 11 -7.378 -13.492 6.463
70 HH21 ARG 11 1HH2 ARG 11 -10.595 -12.232 5.923
71 HH22 ARG 11 2HH2 ARG 11 -9.663 -13.513 6.620
72 H ALA 12 HN ALA 12 -7.489 -5.334 3.641
73 HA ALA 12 HA ALA 12 -5.278 -3.454 3.143
74 HB1 ALA 12 1HB ALA 12 -8.225 -2.917 3.488
75 HB2 ALA 12 2HB ALA 12 -6.986 -1.678 3.276
76 HB3 ALA 12 3HB ALA 12 -7.306 -2.836 1.984
77 H ASP 13 HN ASP 13 -4.071 -3.188 4.904
78 HA ASP 13 HA ASP 13 -5.287 -3.360 7.552
79 HB2 ASP 13 2HB ASP 13 -3.077 -4.501 6.868
80 HB3 ASP 13 3HB ASP 13 -2.365 -2.893 6.992
81 H LEU 14 HN LEU 14 -4.346 -1.013 5.283
82 HA LEU 14 HA LEU 14 -4.885 1.100 7.213
83 HB2 LEU 14 2HB LEU 14 -2.271 0.460 6.440
84 HB3 LEU 14 3HB LEU 14 -2.696 1.904 5.523
85 HG LEU 14 HG LEU 14 -3.162 1.850 8.474
86 HD11 LEU 14 1HD1 LEU 14 -0.696 1.195 7.513
87 HD12 LEU 14 2HD1 LEU 14 -1.006 1.988 9.057
88 HD13 LEU 14 3HD1 LEU 14 -0.584 2.951 7.641
89 HD21 LEU 14 1HD2 LEU 14 -2.749 4.235 8.245
90 HD22 LEU 14 2HD2 LEU 14 -4.002 3.712 7.120
91 HD23 LEU 14 3HD2 LEU 14 -2.366 4.021 6.536
92 H ILE 15 HN ILE 15 -6.216 2.558 6.363
93 HA ILE 15 HA ILE 15 -6.490 2.646 3.434
94 HB ILE 15 HB ILE 15 -8.533 3.601 5.432
95 HG12 ILE 15 2HG1 ILE 15 -8.782 1.001 3.964
96 HG13 ILE 15 3HG1 ILE 15 -7.853 1.064 5.457
97 HG21 ILE 15 1HG2 ILE 15 -9.342 2.650 2.776
98 HG22 ILE 15 2HG2 ILE 15 -9.853 4.076 3.677
99 HG23 ILE 15 3HG2 ILE 15 -8.340 4.101 2.771
100 HD11 ILE 15 1HD1 ILE 15 -10.664 2.087 5.304
101 HD12 ILE 15 2HD1 ILE 15 -10.296 0.391 5.617
102 HD13 ILE 15 3HD1 ILE 15 -9.727 1.636 6.728
103 H LEU 16 HN LEU 16 -5.130 4.243 2.800
104 HA LEU 16 HA LEU 16 -4.522 6.584 4.179
105 HB2 LEU 16 2HB LEU 16 -4.453 5.861 1.270
106 HB3 LEU 16 3HB LEU 16 -3.985 7.467 1.825
107 HG LEU 16 HG LEU 16 -2.644 4.839 2.422
108 HD11 LEU 16 1HD1 LEU 16 -1.378 7.326 1.345
109 HD12 LEU 16 2HD1 LEU 16 -2.237 6.219 0.277
110 HD13 LEU 16 3HD1 LEU 16 -0.849 5.650 1.202
111 HD21 LEU 16 1HD2 LEU 16 -2.566 5.931 4.495
112 HD22 LEU 16 2HD2 LEU 16 -2.338 7.515 3.752
113 HD23 LEU 16 3HD2 LEU 16 -1.032 6.329 3.721
114 HA PRO 17 HA PRO 17 -7.966 9.266 3.728
115 HB2 PRO 17 2HB PRO 17 -6.750 11.674 3.423
116 HB3 PRO 17 3HB PRO 17 -6.789 10.806 4.961
117 HG2 PRO 17 2HG PRO 17 -4.599 10.957 2.927
118 HG3 PRO 17 3HG PRO 17 -4.492 11.055 4.694
119 HD2 PRO 17 2HD PRO 17 -3.916 8.792 3.322
120 HD3 PRO 17 3HD PRO 17 -4.617 8.767 4.953
121 H CYS 18 HN CYS 18 -6.044 8.472 1.175
122 HA CYS 18 HA CYS 18 -7.379 10.303 -0.696
123 HB2 CYS 18 2HB CYS 18 -5.673 9.574 -2.328
124 HB3 CYS 18 3HB CYS 18 -4.950 10.268 -0.881
125 H ALA 19 HN ALA 19 -7.949 7.412 0.635
126 HA ALA 19 HA ALA 19 -9.490 5.801 0.099
127 HB1 ALA 19 1HB ALA 19 -10.947 6.097 -1.627
128 HB2 ALA 19 2HB ALA 19 -10.303 7.735 -1.512
129 HB3 ALA 19 3HB ALA 19 -9.691 6.632 -2.744
130 H HIS 20 HN HIS 20 -6.624 5.540 -0.180
131 HA HIS 20 HA HIS 20 -6.569 3.320 -2.109
132 HB2 HIS 20 2HB HIS 20 -4.429 5.406 -1.661
133 HB3 HIS 20 3HB HIS 20 -4.154 3.901 -2.532
134 HD2 HIS 20 2HD HIS 20 -6.985 4.044 -4.313
135 HE1 HIS 20 1HE HIS 20 -5.263 7.640 -5.762
136 HE2 HIS 20 2HE HIS 20 -7.051 5.902 -6.110
137 H SER 21 HN SER 21 -6.523 1.564 -0.855
138 HA SER 21 HA SER 21 -5.249 1.550 1.722
139 HB2 SER 21 2HB SER 21 -6.836 -0.018 1.983
140 HB3 SER 21 3HB SER 21 -7.070 -0.161 0.240
141 HG SER 21 HG SER 21 -6.063 -1.987 0.384
142 H PHE 22 HN PHE 22 -3.626 -0.074 2.334
143 HA PHE 22 HA PHE 22 -1.983 -1.254 0.301
144 HB2 PHE 22 2HB PHE 22 -0.839 1.047 1.898
145 HB3 PHE 22 3HB PHE 22 0.055 0.019 0.785
146 HD1 PHE 22 1HD PHE 22 -1.923 2.962 1.145
147 HD2 PHE 22 2HD PHE 22 -0.643 0.030 -1.661
148 HE1 PHE 22 1HE PHE 22 -2.479 4.491 -0.700
149 HE2 PHE 22 2HE PHE 22 -1.197 1.554 -3.511
150 HZ PHE 22 HZ PHE 22 -2.116 3.788 -3.033
151 H CYS 23 HN CYS 23 -2.070 -3.176 1.354
152 HA CYS 23 HA CYS 23 -2.067 -3.731 4.024
153 HB2 CYS 23 2HB CYS 23 -1.371 -5.933 3.495
154 HB3 CYS 23 3HB CYS 23 -2.243 -5.360 2.076
155 H GLN 24 HN GLN 24 -0.564 -4.042 5.637
156 HA GLN 24 HA GLN 24 1.523 -2.385 5.982
157 HB2 GLN 24 2HB GLN 24 0.650 -3.923 7.712
158 HB3 GLN 24 3HB GLN 24 1.491 -5.256 6.929
159 HG2 GLN 24 2HG GLN 24 2.848 -4.625 8.727
160 HG3 GLN 24 3HG GLN 24 3.623 -3.951 7.295
161 HE21 GLN 24 1HE2 GLN 24 4.574 -2.147 7.944
162 HE22 GLN 24 2HE2 GLN 24 3.818 -0.874 8.834
163 H LYS 25 HN LYS 25 1.865 -5.687 4.685
164 HA LYS 25 HA LYS 25 4.514 -5.885 4.234
165 HB2 LYS 25 2HB LYS 25 2.152 -7.008 3.047
166 HB3 LYS 25 3HB LYS 25 3.356 -6.721 1.797
167 HG2 LYS 25 2HG LYS 25 4.342 -8.610 2.384
168 HG3 LYS 25 3HG LYS 25 4.739 -7.876 3.940
169 HD2 LYS 25 2HD LYS 25 2.622 -8.656 4.864
170 HD3 LYS 25 3HD LYS 25 2.184 -9.352 3.302
171 HE2 LYS 25 2HE LYS 25 4.728 -10.365 3.940
172 HE3 LYS 25 3HE LYS 25 3.768 -10.474 5.415
173 HZ1 LYS 25 1HZ LYS 25 2.023 -11.575 4.047
174 HZ2 LYS 25 2HZ LYS 25 3.453 -12.467 4.195
175 HZ3 LYS 25 3HZ LYS 25 3.123 -11.632 2.761
176 H CYS 26 HN CYS 26 2.380 -4.644 1.658
177 HA CYS 26 HA CYS 26 4.428 -3.574 0.088
178 HB2 CYS 26 2HB CYS 26 1.503 -2.846 0.283
179 HB3 CYS 26 3HB CYS 26 2.584 -2.188 -0.940
180 H ILE 27 HN ILE 27 2.675 -2.236 2.804
181 HA ILE 27 HA ILE 27 3.455 0.463 2.457
182 HB ILE 27 HB ILE 27 2.065 -1.089 4.474
183 HG12 ILE 27 2HG1 ILE 27 2.090 1.852 3.759
184 HG13 ILE 27 3HG1 ILE 27 1.019 0.630 3.081
185 HG21 ILE 27 1HG2 ILE 27 3.934 -0.641 5.901
186 HG22 ILE 27 2HG2 ILE 27 3.964 1.052 5.413
187 HG23 ILE 27 3HG2 ILE 27 2.616 0.434 6.369
188 HD11 ILE 27 1HD1 ILE 27 0.402 0.293 5.630
189 HD12 ILE 27 2HD1 ILE 27 0.946 1.969 5.718
190 HD13 ILE 27 3HD1 ILE 27 -0.368 1.524 4.630
191 H ASP 28 HN ASP 28 5.017 -2.314 3.855
192 HA ASP 28 HA ASP 28 7.056 -0.772 5.198
193 HB2 ASP 28 2HB ASP 28 6.087 -3.219 5.687
194 HB3 ASP 28 3HB ASP 28 7.447 -3.670 4.663
195 H LYS 29 HN LYS 29 6.542 -2.083 2.070
196 HA LYS 29 HA LYS 29 9.378 -1.980 1.380
197 HB2 LYS 29 2HB LYS 29 8.182 -3.897 0.541
198 HB3 LYS 29 3HB LYS 29 6.943 -2.873 -0.171
199 HG2 LYS 29 2HG LYS 29 8.079 -2.836 -2.065
200 HG3 LYS 29 3HG LYS 29 9.424 -2.045 -1.238
201 HD2 LYS 29 2HD LYS 29 10.112 -4.390 -0.490
202 HD3 LYS 29 3HD LYS 29 8.976 -4.981 -1.705
203 HE2 LYS 29 2HE LYS 29 10.458 -4.629 -3.323
204 HE3 LYS 29 3HE LYS 29 10.639 -2.943 -2.842
205 HZ1 LYS 29 1HZ LYS 29 12.212 -5.286 -1.989
206 HZ2 LYS 29 2HZ LYS 29 12.152 -3.899 -1.023
207 HZ3 LYS 29 3HZ LYS 29 12.757 -3.805 -2.600
208 H TRP 30 HN TRP 30 6.522 -0.951 -0.467
209 HA TRP 30 HA TRP 30 7.972 1.262 -1.587
210 HB2 TRP 30 2HB TRP 30 5.002 0.879 -1.843
211 HB3 TRP 30 3HB TRP 30 6.130 1.576 -3.002
212 HD1 TRP 30 1HD TRP 30 4.827 -1.790 -1.745
213 HE1 TRP 30 1HE TRP 30 5.513 -3.619 -3.421
214 HE3 TRP 30 3HE TRP 30 7.892 0.979 -4.756
215 HZ2 TRP 30 2HZ TRP 30 7.138 -3.856 -5.717
216 HZ3 TRP 30 3HZ TRP 30 8.975 -0.123 -6.670
217 HH2 TRP 30 2HH TRP 30 8.604 -2.491 -7.139
218 H SER 31 HN SER 31 7.498 3.470 -1.349
219 HA SER 31 HA SER 31 7.152 5.345 -0.100
220 HB2 SER 31 2HB SER 31 4.618 3.950 -0.328
221 HB3 SER 31 3HB SER 31 4.690 4.905 1.152
222 HG SER 31 HG SER 31 5.094 6.725 -0.059
223 H ASP 32 HN ASP 32 8.866 4.820 1.362
224 HA ASP 32 HA ASP 32 7.909 4.008 4.030
225 HB2 ASP 32 2HB ASP 32 9.715 2.613 2.605
226 HB3 ASP 32 3HB ASP 32 10.798 3.751 3.402
227 H ARG 33 HN ARG 33 9.675 6.307 2.133
228 HA ARG 33 HA ARG 33 10.945 7.657 4.300
229 HB2 ARG 33 2HB ARG 33 10.385 8.397 1.435
230 HB3 ARG 33 3HB ARG 33 11.140 9.526 2.552
231 HG2 ARG 33 2HG ARG 33 13.079 8.644 1.934
232 HG3 ARG 33 3HG ARG 33 12.619 7.214 2.860
233 HD2 ARG 33 2HD ARG 33 11.969 6.044 0.987
234 HD3 ARG 33 3HD ARG 33 11.645 7.507 0.058
235 HE ARG 33 HE ARG 33 14.098 6.073 0.177
236 HH11 ARG 33 1HH1 ARG 33 12.760 9.275 -0.108
237 HH12 ARG 33 2HH1 ARG 33 14.130 9.911 -0.958
238 HH21 ARG 33 1HH2 ARG 33 15.906 6.900 -0.942
239 HH22 ARG 33 2HH2 ARG 33 15.918 8.559 -1.432
240 H HIS 34 HN HIS 34 8.934 9.528 2.156
241 HA HIS 34 HA HIS 34 7.828 11.023 4.306
242 HB2 HIS 34 2HB HIS 34 7.692 11.063 1.363
243 HB3 HIS 34 3HB HIS 34 6.252 11.671 2.175
244 HD2 HIS 34 2HD HIS 34 10.055 12.579 1.845
245 HE1 HIS 34 1HE HIS 34 7.977 15.896 3.481
246 HE2 HIS 34 2HE HIS 34 10.152 15.077 2.509
247 H ARG 35 HN ARG 35 6.875 8.156 2.664
248 HA ARG 35 HA ARG 35 5.222 6.664 3.245
249 HB2 ARG 35 2HB ARG 35 5.199 8.304 5.432
250 HB3 ARG 35 3HB ARG 35 3.571 8.527 4.809
251 HG2 ARG 35 2HG ARG 35 3.239 6.090 4.860
252 HG3 ARG 35 3HG ARG 35 4.852 5.907 5.553
253 HD2 ARG 35 2HD ARG 35 2.637 7.528 6.799
254 HD3 ARG 35 3HD ARG 35 3.009 5.859 7.230
255 HE ARG 35 HE ARG 35 5.259 7.636 7.432
256 HH11 ARG 35 1HH1 ARG 35 2.465 6.353 9.065
257 HH12 ARG 35 2HH1 ARG 35 3.095 6.649 10.653
258 HH21 ARG 35 1HH2 ARG 35 6.100 8.029 9.516
259 HH22 ARG 35 2HH2 ARG 35 5.163 7.602 10.907
260 H ASN 36 HN ASN 36 5.223 8.710 1.093
261 HA ASN 36 HA ASN 36 2.633 9.696 0.638
262 HB2 ASN 36 2HB ASN 36 4.262 8.900 -1.714
263 HB3 ASN 36 3HB ASN 36 3.437 10.419 -1.378
264 HD21 ASN 36 1HD2 ASN 36 4.479 12.010 -0.215
265 HD22 ASN 36 2HD2 ASN 36 6.177 11.969 0.102
266 H CYS 37 HN CYS 37 1.837 8.843 -1.842
267 HA CYS 37 HA CYS 37 1.205 5.995 -1.424
268 HB2 CYS 37 2HB CYS 37 -0.836 6.981 -0.929
269 HB3 CYS 37 3HB CYS 37 -0.591 8.301 -2.066
270 HA PRO 38 HA PRO 38 2.723 5.356 -5.505
271 HB2 PRO 38 2HB PRO 38 1.442 3.033 -6.082
272 HB3 PRO 38 3HB PRO 38 2.806 3.125 -4.962
273 HG2 PRO 38 2HG PRO 38 -0.127 3.026 -4.370
274 HG3 PRO 38 3HG PRO 38 1.205 2.168 -3.573
275 HD2 PRO 38 2HD PRO 38 0.075 4.395 -2.528
276 HD3 PRO 38 3HD PRO 38 1.791 4.000 -2.302
277 H ILE 39 HN ILE 39 -0.758 4.635 -5.156
278 HA ILE 39 HA ILE 39 -1.468 5.015 -7.823
279 HB ILE 39 HB ILE 39 -3.222 5.644 -5.449
280 HG12 ILE 39 2HG1 ILE 39 -1.934 3.282 -5.783
281 HG13 ILE 39 3HG1 ILE 39 -3.516 3.435 -5.027
282 HG21 ILE 39 1HG2 ILE 39 -4.960 4.713 -7.115
283 HG22 ILE 39 2HG2 ILE 39 -4.364 6.357 -7.341
284 HG23 ILE 39 3HG2 ILE 39 -3.733 5.047 -8.337
285 HD11 ILE 39 1HD1 ILE 39 -3.396 3.094 -7.972
286 HD12 ILE 39 2HD1 ILE 39 -3.064 1.698 -6.945
287 HD13 ILE 39 3HD1 ILE 39 -4.607 2.544 -6.814
288 H CYS 40 HN CYS 40 -0.774 7.322 -5.333
289 HA CYS 40 HA CYS 40 -1.940 9.533 -6.823
290 HB2 CYS 40 2HB CYS 40 -0.482 9.399 -4.180
291 HB3 CYS 40 3HB CYS 40 -1.050 10.901 -4.902
292 H ARG 41 HN ARG 41 1.181 8.120 -6.135
293 HA ARG 41 HA ARG 41 2.827 10.250 -6.919
294 HB2 ARG 41 2HB ARG 41 3.930 8.520 -5.808
295 HB3 ARG 41 3HB ARG 41 3.188 7.276 -6.805
296 HG2 ARG 41 2HG ARG 41 4.803 7.380 -8.347
297 HG3 ARG 41 3HG ARG 41 4.875 9.143 -8.293
298 HD2 ARG 41 2HD ARG 41 6.603 9.133 -6.874
299 HD3 ARG 41 3HD ARG 41 5.873 7.887 -5.863
300 HE ARG 41 HE ARG 41 7.930 7.507 -7.739
301 HH11 ARG 41 1HH1 ARG 41 4.967 6.030 -6.663
302 HH12 ARG 41 2HH1 ARG 41 5.459 4.425 -7.092
303 HH21 ARG 41 1HH2 ARG 41 8.589 5.399 -8.308
304 HH22 ARG 41 2HH2 ARG 41 7.520 4.067 -8.026
305 H LEU 42 HN LEU 42 1.022 7.916 -8.766
306 HA LEU 42 HA LEU 42 2.376 8.554 -11.248
307 HB2 LEU 42 2HB LEU 42 -0.148 6.956 -10.892
308 HB3 LEU 42 3HB LEU 42 0.959 6.933 -12.263
309 HG LEU 42 HG LEU 42 1.869 6.046 -9.549
310 HD11 LEU 42 1HD1 LEU 42 1.101 3.875 -11.298
311 HD12 LEU 42 2HD1 LEU 42 -0.280 4.875 -10.850
312 HD13 LEU 42 3HD1 LEU 42 0.721 4.143 -9.597
313 HD21 LEU 42 1HD2 LEU 42 3.177 4.503 -11.218
314 HD22 LEU 42 2HD2 LEU 42 3.703 6.160 -10.919
315 HD23 LEU 42 3HD2 LEU 42 2.779 5.776 -12.373
Start of MODEL 13
1 H1 GLU 1 HN GLU 1 -13.116 -0.533 -3.319
2 HA GLU 1 HA GLU 1 -13.157 -0.119 -0.699
3 HB2 GLU 1 2HB GLU 1 -14.746 -2.120 -0.490
4 HB3 GLU 1 3HB GLU 1 -15.169 -0.863 -1.645
5 HG2 GLU 1 2HG GLU 1 -13.821 -2.450 -3.286
6 HG3 GLU 1 3HG GLU 1 -14.319 -3.662 -2.105
7 H GLU 2 HN GLU 2 -11.750 -0.586 0.850
8 HA GLU 2 HA GLU 2 -10.125 -1.669 2.044
9 HB2 GLU 2 2HB GLU 2 -12.540 -3.099 2.128
10 HB3 GLU 2 3HB GLU 2 -11.283 -4.312 1.935
11 HG2 GLU 2 2HG GLU 2 -11.955 -3.696 4.302
12 HG3 GLU 2 3HG GLU 2 -10.233 -3.711 3.932
13 H GLU 3 HN GLU 3 -9.170 -4.247 2.072
14 HA GLU 3 HA GLU 3 -7.605 -5.575 1.093
15 HB2 GLU 3 2HB GLU 3 -8.769 -5.088 -1.613
16 HB3 GLU 3 3HB GLU 3 -8.185 -6.586 -0.901
17 HG2 GLU 3 2HG GLU 3 -10.152 -6.898 0.332
18 HG3 GLU 3 3HG GLU 3 -10.672 -5.233 0.085
19 H CYS 4 HN CYS 4 -5.652 -5.529 -0.095
20 HA CYS 4 HA CYS 4 -4.440 -3.016 -0.301
21 HB2 CYS 4 2HB CYS 4 -3.291 -5.250 0.011
22 HB3 CYS 4 3HB CYS 4 -3.512 -5.518 -1.716
23 H CYS 5 HN CYS 5 -4.070 -1.628 -1.960
24 HA CYS 5 HA CYS 5 -5.573 -2.125 -4.425
25 HB2 CYS 5 2HB CYS 5 -5.345 0.120 -2.770
26 HB3 CYS 5 3HB CYS 5 -4.422 0.525 -4.212
27 HG CYS 5 HG CYS 5 -6.835 -0.495 -5.736
28 H ILE 6 HN ILE 6 -3.028 -3.402 -3.967
29 HA ILE 6 HA ILE 6 -1.669 -2.474 -6.367
30 HB ILE 6 HB ILE 6 -0.352 -2.597 -3.665
31 HG12 ILE 6 2HG1 ILE 6 -0.461 -0.526 -5.866
32 HG13 ILE 6 3HG1 ILE 6 -1.228 -0.429 -4.284
33 HG21 ILE 6 1HG2 ILE 6 1.062 -3.915 -5.061
34 HG22 ILE 6 2HG2 ILE 6 0.942 -2.749 -6.378
35 HG23 ILE 6 3HG2 ILE 6 1.808 -2.325 -4.900
36 HD11 ILE 6 1HD1 ILE 6 1.398 -0.796 -3.633
37 HD12 ILE 6 2HD1 ILE 6 1.497 0.197 -5.087
38 HD13 ILE 6 3HD1 ILE 6 0.561 0.755 -3.700
39 H CYS 7 HN CYS 7 -1.355 -4.768 -3.652
40 HA CYS 7 HA CYS 7 -0.558 -6.844 -5.564
41 HB2 CYS 7 2HB CYS 7 0.425 -8.008 -3.772
42 HB3 CYS 7 3HB CYS 7 0.788 -6.318 -3.441
43 H MET 8 HN MET 8 -3.159 -5.842 -3.555
44 HA MET 8 HA MET 8 -5.115 -6.846 -2.895
45 HB2 MET 8 2HB MET 8 -5.157 -8.195 -5.565
46 HB3 MET 8 3HB MET 8 -6.462 -7.391 -4.704
47 HG2 MET 8 2HG MET 8 -5.582 -5.238 -5.234
48 HG3 MET 8 3HG MET 8 -4.114 -5.948 -5.903
49 HE1 MET 8 1HE MET 8 -3.629 -6.169 -7.897
50 HE2 MET 8 2HE MET 8 -4.490 -7.446 -8.756
51 HE3 MET 8 3HE MET 8 -4.600 -5.776 -9.317
52 H ASP 9 HN ASP 9 -3.383 -8.255 -1.612
53 HA ASP 9 HA ASP 9 -4.446 -10.915 -1.619
54 HB2 ASP 9 2HB ASP 9 -2.080 -10.435 -3.133
55 HB3 ASP 9 3HB ASP 9 -1.631 -11.366 -1.707
56 H GLY 10 HN GLY 10 -3.947 -8.490 0.105
57 HA2 GLY 10 1HA GLY 10 -3.104 -9.988 2.455
58 HA3 GLY 10 2HA GLY 10 -2.110 -8.601 2.036
59 H ARG 11 HN ARG 11 -5.519 -8.537 1.395
60 HA ARG 11 HA ARG 11 -7.190 -7.205 2.177
61 HB2 ARG 11 2HB ARG 11 -5.783 -7.737 4.800
62 HB3 ARG 11 3HB ARG 11 -7.379 -7.014 4.651
63 HG2 ARG 11 2HG ARG 11 -6.552 -9.808 4.457
64 HG3 ARG 11 3HG ARG 11 -8.113 -9.110 4.893
65 HD2 ARG 11 2HD ARG 11 -8.532 -8.663 2.493
66 HD3 ARG 11 3HD ARG 11 -7.016 -9.479 2.109
67 HE ARG 11 HE ARG 11 -8.695 -11.153 3.664
68 HH11 ARG 11 1HH1 ARG 11 -8.286 -9.882 0.448
69 HH12 ARG 11 2HH1 ARG 11 -9.074 -11.220 -0.322
70 HH21 ARG 11 1HH2 ARG 11 -9.733 -12.919 2.662
71 HH22 ARG 11 2HH2 ARG 11 -9.898 -12.946 0.939
72 H ALA 12 HN ALA 12 -7.527 -5.193 3.816
73 HA ALA 12 HA ALA 12 -5.404 -3.279 3.101
74 HB1 ALA 12 1HB ALA 12 -7.330 -2.598 1.967
75 HB2 ALA 12 2HB ALA 12 -8.377 -2.961 3.340
76 HB3 ALA 12 3HB ALA 12 -7.292 -1.573 3.402
77 H ASP 13 HN ASP 13 -4.193 -3.695 4.999
78 HA ASP 13 HA ASP 13 -5.300 -3.485 7.608
79 HB2 ASP 13 2HB ASP 13 -2.806 -4.182 6.481
80 HB3 ASP 13 3HB ASP 13 -2.498 -2.837 7.575
81 H LEU 14 HN LEU 14 -4.152 -1.183 5.298
82 HA LEU 14 HA LEU 14 -4.794 0.975 7.169
83 HB2 LEU 14 2HB LEU 14 -2.176 0.306 6.431
84 HB3 LEU 14 3HB LEU 14 -2.584 1.739 5.491
85 HG LEU 14 HG LEU 14 -2.981 1.654 8.465
86 HD11 LEU 14 1HD1 LEU 14 -0.568 1.119 7.573
87 HD12 LEU 14 2HD1 LEU 14 -0.816 2.243 8.908
88 HD13 LEU 14 3HD1 LEU 14 -0.531 2.858 7.281
89 HD21 LEU 14 1HD2 LEU 14 -2.570 4.133 8.106
90 HD22 LEU 14 2HD2 LEU 14 -4.081 3.482 7.471
91 HD23 LEU 14 3HD2 LEU 14 -2.732 3.805 6.381
92 H ILE 15 HN ILE 15 -6.046 2.487 6.276
93 HA ILE 15 HA ILE 15 -6.284 2.520 3.339
94 HB ILE 15 HB ILE 15 -8.379 3.340 5.354
95 HG12 ILE 15 2HG1 ILE 15 -9.284 1.151 3.862
96 HG13 ILE 15 3HG1 ILE 15 -7.630 0.744 4.303
97 HG21 ILE 15 1HG2 ILE 15 -8.447 4.502 3.160
98 HG22 ILE 15 2HG2 ILE 15 -8.624 2.932 2.379
99 HG23 ILE 15 3HG2 ILE 15 -9.872 3.514 3.479
100 HD11 ILE 15 1HD1 ILE 15 -9.948 0.545 5.875
101 HD12 ILE 15 2HD1 ILE 15 -8.281 0.214 6.344
102 HD13 ILE 15 3HD1 ILE 15 -8.960 1.824 6.580
103 H LEU 16 HN LEU 16 -4.903 4.129 2.764
104 HA LEU 16 HA LEU 16 -4.375 6.481 4.149
105 HB2 LEU 16 2HB LEU 16 -4.157 5.665 1.287
106 HB3 LEU 16 3HB LEU 16 -3.875 7.347 1.730
107 HG LEU 16 HG LEU 16 -2.362 5.039 2.937
108 HD11 LEU 16 1HD1 LEU 16 -1.225 4.849 1.044
109 HD12 LEU 16 2HD1 LEU 16 -0.702 6.522 1.229
110 HD13 LEU 16 3HD1 LEU 16 -2.157 6.151 0.305
111 HD21 LEU 16 1HD2 LEU 16 -1.900 8.019 2.895
112 HD22 LEU 16 2HD2 LEU 16 -0.764 6.829 3.530
113 HD23 LEU 16 3HD2 LEU 16 -2.342 7.035 4.291
114 HA PRO 17 HA PRO 17 -7.813 9.148 3.585
115 HB2 PRO 17 2HB PRO 17 -6.613 11.554 3.213
116 HB3 PRO 17 3HB PRO 17 -6.651 10.731 4.777
117 HG2 PRO 17 2HG PRO 17 -4.455 10.838 2.745
118 HG3 PRO 17 3HG PRO 17 -4.355 10.989 4.509
119 HD2 PRO 17 2HD PRO 17 -3.758 8.691 3.207
120 HD3 PRO 17 3HD PRO 17 -4.465 8.709 4.836
121 H CYS 18 HN CYS 18 -5.878 8.291 1.064
122 HA CYS 18 HA CYS 18 -7.196 10.068 -0.866
123 HB2 CYS 18 2HB CYS 18 -5.506 9.232 -2.474
124 HB3 CYS 18 3HB CYS 18 -4.778 9.997 -1.065
125 H ALA 19 HN ALA 19 -7.777 7.206 0.553
126 HA ALA 19 HA ALA 19 -9.323 5.583 0.080
127 HB1 ALA 19 1HB ALA 19 -10.795 5.797 -1.687
128 HB2 ALA 19 2HB ALA 19 -10.276 7.464 -1.436
129 HB3 ALA 19 3HB ALA 19 -9.581 6.515 -2.749
130 H HIS 20 HN HIS 20 -6.511 5.236 -0.223
131 HA HIS 20 HA HIS 20 -6.511 3.042 -2.178
132 HB2 HIS 20 2HB HIS 20 -4.379 5.143 -1.793
133 HB3 HIS 20 3HB HIS 20 -4.064 3.607 -2.596
134 HD2 HIS 20 2HD HIS 20 -6.707 3.491 -4.521
135 HE1 HIS 20 1HE HIS 20 -5.359 7.268 -5.902
136 HE2 HIS 20 2HE HIS 20 -6.901 5.325 -6.335
137 H SER 21 HN SER 21 -6.574 1.341 -0.822
138 HA SER 21 HA SER 21 -5.226 1.288 1.693
139 HB2 SER 21 2HB SER 21 -5.800 -1.356 1.024
140 HB3 SER 21 3HB SER 21 -6.826 -0.268 1.960
141 HG SER 21 HG SER 21 -8.147 -0.740 0.355
142 H PHE 22 HN PHE 22 -3.573 -0.269 2.303
143 HA PHE 22 HA PHE 22 -1.955 -1.463 0.242
144 HB2 PHE 22 2HB PHE 22 -0.793 0.790 1.894
145 HB3 PHE 22 3HB PHE 22 0.086 -0.211 0.743
146 HD1 PHE 22 1HD PHE 22 -0.762 -0.173 -1.697
147 HD2 PHE 22 2HD PHE 22 -1.735 2.782 1.206
148 HE1 PHE 22 1HE PHE 22 -1.318 1.408 -3.499
149 HE2 PHE 22 2HE PHE 22 -2.293 4.369 -0.591
150 HZ PHE 22 HZ PHE 22 -2.086 3.682 -2.947
151 H CYS 23 HN CYS 23 -2.071 -3.406 1.261
152 HA CYS 23 HA CYS 23 -2.096 -4.047 3.895
153 HB2 CYS 23 2HB CYS 23 -1.306 -6.213 3.321
154 HB3 CYS 23 3HB CYS 23 -2.174 -5.625 1.906
155 H GLN 24 HN GLN 24 -0.646 -4.353 5.550
156 HA GLN 24 HA GLN 24 1.372 -2.666 6.038
157 HB2 GLN 24 2HB GLN 24 0.435 -4.512 7.545
158 HB3 GLN 24 3HB GLN 24 1.658 -5.557 6.834
159 HG2 GLN 24 2HG GLN 24 2.376 -2.946 8.117
160 HG3 GLN 24 3HG GLN 24 2.189 -4.426 9.057
161 HE21 GLN 24 1HE2 GLN 24 4.480 -2.568 8.048
162 HE22 GLN 24 2HE2 GLN 24 5.691 -3.700 7.563
163 H LYS 25 HN LYS 25 1.998 -5.937 4.755
164 HA LYS 25 HA LYS 25 4.639 -5.925 4.316
165 HB2 LYS 25 2HB LYS 25 2.631 -6.763 2.215
166 HB3 LYS 25 3HB LYS 25 4.294 -7.321 2.342
167 HG2 LYS 25 2HG LYS 25 3.267 -7.907 4.820
168 HG3 LYS 25 3HG LYS 25 1.906 -8.220 3.740
169 HD2 LYS 25 2HD LYS 25 3.076 -9.845 2.542
170 HD3 LYS 25 3HD LYS 25 4.644 -9.273 3.116
171 HE2 LYS 25 2HE LYS 25 4.280 -10.173 5.278
172 HE3 LYS 25 3HE LYS 25 2.574 -10.469 4.943
173 HZ1 LYS 25 1HZ LYS 25 3.224 -12.523 4.439
174 HZ2 LYS 25 2HZ LYS 25 4.858 -12.098 4.351
175 HZ3 LYS 25 3HZ LYS 25 3.854 -11.876 3.008
176 H CYS 26 HN CYS 26 2.459 -4.803 1.723
177 HA CYS 26 HA CYS 26 4.391 -3.626 0.129
178 HB2 CYS 26 2HB CYS 26 1.473 -2.951 0.499
179 HB3 CYS 26 3HB CYS 26 2.478 -2.192 -0.731
180 H ILE 27 HN ILE 27 2.439 -2.130 2.691
181 HA ILE 27 HA ILE 27 3.334 0.484 2.455
182 HB ILE 27 HB ILE 27 1.988 -1.086 4.491
183 HG12 ILE 27 2HG1 ILE 27 1.943 1.898 4.039
184 HG13 ILE 27 3HG1 ILE 27 1.088 0.766 2.996
185 HG21 ILE 27 1HG2 ILE 27 2.566 0.446 6.376
186 HG22 ILE 27 2HG2 ILE 27 3.871 -0.634 5.890
187 HG23 ILE 27 3HG2 ILE 27 3.900 1.058 5.397
188 HD11 ILE 27 1HD1 ILE 27 0.521 1.573 5.794
189 HD12 ILE 27 2HD1 ILE 27 -0.578 1.341 4.434
190 HD13 ILE 27 3HD1 ILE 27 0.084 -0.057 5.282
191 H ASP 28 HN ASP 28 4.931 -2.303 3.788
192 HA ASP 28 HA ASP 28 7.017 -0.727 5.047
193 HB2 ASP 28 2HB ASP 28 5.988 -3.168 5.635
194 HB3 ASP 28 3HB ASP 28 7.412 -3.636 4.710
195 H LYS 29 HN LYS 29 6.511 -2.610 2.139
196 HA LYS 29 HA LYS 29 9.257 -2.631 1.339
197 HB2 LYS 29 2HB LYS 29 7.141 -4.099 0.596
198 HB3 LYS 29 3HB LYS 29 7.107 -2.904 -0.694
199 HG2 LYS 29 2HG LYS 29 8.783 -3.898 -1.746
200 HG3 LYS 29 3HG LYS 29 9.785 -3.873 -0.293
201 HD2 LYS 29 2HD LYS 29 7.620 -5.912 -0.772
202 HD3 LYS 29 3HD LYS 29 9.302 -6.156 -1.250
203 HE2 LYS 29 2HE LYS 29 9.803 -6.813 0.811
204 HE3 LYS 29 3HE LYS 29 9.258 -5.263 1.449
205 HZ1 LYS 29 1HZ LYS 29 7.931 -7.829 1.454
206 HZ2 LYS 29 2HZ LYS 29 6.935 -6.531 1.022
207 HZ3 LYS 29 3HZ LYS 29 7.752 -6.514 2.504
208 H TRP 30 HN TRP 30 6.533 -0.500 0.857
209 HA TRP 30 HA TRP 30 8.082 1.133 -1.022
210 HB2 TRP 30 2HB TRP 30 5.172 0.917 -0.354
211 HB3 TRP 30 3HB TRP 30 5.785 2.417 -1.043
212 HD1 TRP 30 1HD TRP 30 4.462 -0.865 -2.052
213 HE1 TRP 30 1HE TRP 30 4.862 -1.278 -4.561
214 HE3 TRP 30 3HE TRP 30 7.805 2.892 -2.971
215 HZ2 TRP 30 2HZ TRP 30 6.391 -0.160 -6.652
216 HZ3 TRP 30 3HZ TRP 30 8.689 3.153 -5.253
217 HH2 TRP 30 2HH TRP 30 7.996 1.656 -7.054
218 H SER 31 HN SER 31 9.217 1.274 1.377
219 HA SER 31 HA SER 31 8.365 3.900 2.404
220 HB2 SER 31 2HB SER 31 7.940 1.881 3.947
221 HB3 SER 31 3HB SER 31 9.692 1.822 4.139
222 HG SER 31 HG SER 31 7.928 3.929 4.827
223 H ASP 32 HN ASP 32 10.352 3.137 0.360
224 HA ASP 32 HA ASP 32 12.803 4.092 1.686
225 HB2 ASP 32 2HB ASP 32 12.895 1.833 0.566
226 HB3 ASP 32 3HB ASP 32 12.629 2.657 -0.968
227 H ARG 33 HN ARG 33 10.441 5.593 0.525
228 HA ARG 33 HA ARG 33 11.970 7.265 -1.360
229 HB2 ARG 33 2HB ARG 33 9.331 6.100 -1.586
230 HB3 ARG 33 3HB ARG 33 9.254 7.853 -1.707
231 HG2 ARG 33 2HG ARG 33 10.733 7.874 -3.563
232 HG3 ARG 33 3HG ARG 33 11.130 6.168 -3.343
233 HD2 ARG 33 2HD ARG 33 8.755 5.615 -3.819
234 HD3 ARG 33 3HD ARG 33 8.468 7.319 -4.171
235 HE ARG 33 HE ARG 33 10.602 6.125 -5.701
236 HH11 ARG 33 1HH1 ARG 33 7.188 6.790 -5.532
237 HH12 ARG 33 2HH1 ARG 33 6.950 6.681 -7.244
238 HH21 ARG 33 1HH2 ARG 33 10.300 5.978 -7.957
239 HH22 ARG 33 2HH2 ARG 33 8.720 6.219 -8.622
240 H HIS 34 HN HIS 34 8.866 7.887 0.209
241 HA HIS 34 HA HIS 34 10.070 9.831 2.007
242 HB2 HIS 34 2HB HIS 34 8.303 10.544 -0.307
243 HB3 HIS 34 3HB HIS 34 8.241 11.505 1.168
244 HD2 HIS 34 2HD HIS 34 10.488 11.001 -1.928
245 HE1 HIS 34 1HE HIS 34 12.390 13.826 0.603
246 HE2 HIS 34 2HE HIS 34 12.342 12.789 -1.692
247 H ARG 35 HN ARG 35 6.746 10.047 1.011
248 HA ARG 35 HA ARG 35 5.655 8.224 2.886
249 HB2 ARG 35 2HB ARG 35 4.604 10.128 4.306
250 HB3 ARG 35 3HB ARG 35 6.243 9.600 4.662
251 HG2 ARG 35 2HG ARG 35 6.841 11.541 2.964
252 HG3 ARG 35 3HG ARG 35 5.276 12.151 3.505
253 HD2 ARG 35 2HD ARG 35 6.846 11.224 5.737
254 HD3 ARG 35 3HD ARG 35 7.742 12.415 4.795
255 HE ARG 35 HE ARG 35 5.346 12.865 6.353
256 HH11 ARG 35 1HH1 ARG 35 7.484 14.060 3.880
257 HH12 ARG 35 2HH1 ARG 35 6.996 15.711 4.071
258 HH21 ARG 35 1HH2 ARG 35 4.693 15.036 6.615
259 HH22 ARG 35 2HH2 ARG 35 5.409 16.265 5.628
260 H ASN 36 HN ASN 36 5.373 9.258 0.118
261 HA ASN 36 HA ASN 36 2.565 10.138 0.207
262 HB2 ASN 36 2HB ASN 36 3.215 10.574 -2.356
263 HB3 ASN 36 3HB ASN 36 3.504 11.765 -1.091
264 HD21 ASN 36 1HD2 ASN 36 5.132 8.832 -2.259
265 HD22 ASN 36 2HD2 ASN 36 6.698 9.552 -2.395
266 H CYS 37 HN CYS 37 1.023 9.109 -1.075
267 HA CYS 37 HA CYS 37 1.353 6.320 -1.402
268 HB2 CYS 37 2HB CYS 37 -0.849 6.927 -0.994
269 HB3 CYS 37 3HB CYS 37 -0.786 8.293 -2.103
270 HA PRO 38 HA PRO 38 3.154 6.053 -5.408
271 HB2 PRO 38 2HB PRO 38 2.330 3.555 -6.084
272 HB3 PRO 38 3HB PRO 38 3.603 3.859 -4.895
273 HG2 PRO 38 2HG PRO 38 0.709 3.233 -4.453
274 HG3 PRO 38 3HG PRO 38 2.132 2.605 -3.602
275 HD2 PRO 38 2HD PRO 38 0.578 4.575 -2.584
276 HD3 PRO 38 3HD PRO 38 2.324 4.480 -2.276
277 H ILE 39 HN ILE 39 -0.159 4.726 -5.247
278 HA ILE 39 HA ILE 39 -0.843 4.947 -7.908
279 HB ILE 39 HB ILE 39 -2.537 5.228 -5.436
280 HG12 ILE 39 2HG1 ILE 39 -2.263 3.040 -7.507
281 HG13 ILE 39 3HG1 ILE 39 -1.560 3.019 -5.894
282 HG21 ILE 39 1HG2 ILE 39 -3.377 5.329 -8.320
283 HG22 ILE 39 2HG2 ILE 39 -4.479 4.867 -7.024
284 HG23 ILE 39 3HG2 ILE 39 -3.749 6.473 -7.030
285 HD11 ILE 39 1HD1 ILE 39 -4.136 3.414 -5.266
286 HD12 ILE 39 2HD1 ILE 39 -4.319 2.505 -6.766
287 HD13 ILE 39 3HD1 ILE 39 -3.399 1.820 -5.427
288 H CYS 40 HN CYS 40 -1.879 7.301 -5.434
289 HA CYS 40 HA CYS 40 -2.843 9.278 -7.022
290 HB2 CYS 40 2HB CYS 40 -1.200 9.557 -4.502
291 HB3 CYS 40 3HB CYS 40 -2.066 10.894 -5.251
292 H ARG 41 HN ARG 41 0.529 8.506 -6.454
293 HA ARG 41 HA ARG 41 1.592 10.847 -7.678
294 HB2 ARG 41 2HB ARG 41 2.678 8.991 -6.099
295 HB3 ARG 41 3HB ARG 41 3.158 8.316 -7.649
296 HG2 ARG 41 2HG ARG 41 3.669 11.198 -7.202
297 HG3 ARG 41 3HG ARG 41 4.666 10.041 -6.319
298 HD2 ARG 41 2HD ARG 41 4.994 8.904 -8.604
299 HD3 ARG 41 3HD ARG 41 4.387 10.416 -9.281
300 HE ARG 41 HE ARG 41 6.447 11.300 -8.907
301 HH11 ARG 41 1HH1 ARG 41 5.958 8.689 -6.657
302 HH12 ARG 41 2HH1 ARG 41 7.539 8.821 -5.959
303 HH21 ARG 41 1HH2 ARG 41 8.531 11.484 -7.996
304 HH22 ARG 41 2HH2 ARG 41 9.001 10.411 -6.721
305 H LEU 42 HN LEU 42 0.701 7.649 -8.827
306 HA LEU 42 HA LEU 42 1.612 8.343 -11.528
307 HB2 LEU 42 2HB LEU 42 0.535 5.692 -10.606
308 HB3 LEU 42 3HB LEU 42 1.466 6.037 -12.063
309 HG LEU 42 HG LEU 42 2.641 6.378 -9.319
310 HD11 LEU 42 1HD1 LEU 42 2.474 3.881 -10.987
311 HD12 LEU 42 2HD1 LEU 42 1.938 4.113 -9.323
312 HD13 LEU 42 3HD1 LEU 42 3.660 4.117 -9.703
313 HD21 LEU 42 1HD2 LEU 42 3.655 6.256 -12.125
314 HD22 LEU 42 2HD2 LEU 42 4.699 5.760 -10.794
315 HD23 LEU 42 3HD2 LEU 42 4.044 7.397 -10.838
Start of MODEL 14
1 H1 GLU 1 HN GLU 1 -13.521 -2.733 5.210
2 HA GLU 1 HA GLU 1 -13.942 -5.518 4.391
3 HB2 GLU 1 2HB GLU 1 -15.834 -4.312 3.015
4 HB3 GLU 1 3HB GLU 1 -16.047 -4.656 4.725
5 HG2 GLU 1 2HG GLU 1 -15.814 -2.454 5.340
6 HG3 GLU 1 3HG GLU 1 -14.901 -2.036 3.892
7 H GLU 2 HN GLU 2 -11.568 -3.953 3.668
8 HA GLU 2 HA GLU 2 -11.841 -4.160 0.749
9 HB2 GLU 2 2HB GLU 2 -11.637 -1.746 1.987
10 HB3 GLU 2 3HB GLU 2 -9.941 -2.121 1.713
11 HG2 GLU 2 2HG GLU 2 -11.061 -0.780 -0.081
12 HG3 GLU 2 3HG GLU 2 -10.245 -2.245 -0.623
13 H GLU 3 HN GLU 3 -9.448 -3.934 -0.199
14 HA GLU 3 HA GLU 3 -7.572 -5.438 1.469
15 HB2 GLU 3 2HB GLU 3 -7.950 -6.287 -1.377
16 HB3 GLU 3 3HB GLU 3 -7.273 -7.189 -0.030
17 HG2 GLU 3 2HG GLU 3 -9.240 -8.250 -0.064
18 HG3 GLU 3 3HG GLU 3 -9.804 -6.844 0.837
19 H CYS 4 HN CYS 4 -5.395 -5.626 0.325
20 HA CYS 4 HA CYS 4 -4.356 -3.112 -0.170
21 HB2 CYS 4 2HB CYS 4 -3.062 -5.189 0.417
22 HB3 CYS 4 3HB CYS 4 -3.222 -5.691 -1.263
23 H CYS 5 HN CYS 5 -4.122 -1.828 -1.910
24 HA CYS 5 HA CYS 5 -5.594 -2.508 -4.299
25 HB2 CYS 5 2HB CYS 5 -5.489 -0.206 -3.133
26 HB3 CYS 5 3HB CYS 5 -3.931 -0.027 -3.931
27 HG CYS 5 HG CYS 5 -6.987 -0.339 -5.434
28 H ILE 6 HN ILE 6 -2.638 -3.353 -3.303
29 HA ILE 6 HA ILE 6 -1.451 -3.153 -5.994
30 HB ILE 6 HB ILE 6 -0.014 -3.512 -3.363
31 HG12 ILE 6 2HG1 ILE 6 -0.269 -1.113 -5.187
32 HG13 ILE 6 3HG1 ILE 6 -0.909 -1.262 -3.554
33 HG21 ILE 6 1HG2 ILE 6 1.800 -4.069 -4.517
34 HG22 ILE 6 2HG2 ILE 6 0.790 -4.172 -5.959
35 HG23 ILE 6 3HG2 ILE 6 1.621 -2.666 -5.569
36 HD11 ILE 6 1HD1 ILE 6 1.994 -1.661 -3.854
37 HD12 ILE 6 2HD1 ILE 6 1.387 -0.029 -4.136
38 HD13 ILE 6 3HD1 ILE 6 1.080 -0.830 -2.595
39 H CYS 7 HN CYS 7 -1.504 -5.260 -3.116
40 HA CYS 7 HA CYS 7 -0.636 -7.552 -4.604
41 HB2 CYS 7 2HB CYS 7 -1.835 -7.412 -1.830
42 HB3 CYS 7 3HB CYS 7 -0.963 -8.778 -2.518
43 H MET 8 HN MET 8 -3.700 -6.201 -3.621
44 HA MET 8 HA MET 8 -5.860 -6.937 -3.848
45 HB2 MET 8 2HB MET 8 -4.612 -7.667 -6.498
46 HB3 MET 8 3HB MET 8 -6.345 -7.724 -6.199
47 HG2 MET 8 2HG MET 8 -5.494 -5.192 -5.351
48 HG3 MET 8 3HG MET 8 -4.690 -5.494 -6.890
49 HE1 MET 8 1HE MET 8 -5.394 -5.441 -8.845
50 HE2 MET 8 2HE MET 8 -6.962 -5.995 -9.433
51 HE3 MET 8 3HE MET 8 -6.662 -4.271 -9.214
52 H ASP 9 HN ASP 9 -4.545 -8.742 -2.311
53 HA ASP 9 HA ASP 9 -5.926 -11.202 -2.997
54 HB2 ASP 9 2HB ASP 9 -4.044 -12.108 -3.864
55 HB3 ASP 9 3HB ASP 9 -3.004 -10.896 -3.120
56 H GLY 10 HN GLY 10 -3.746 -9.585 -0.705
57 HA2 GLY 10 1HA GLY 10 -4.641 -11.191 1.511
58 HA3 GLY 10 2HA GLY 10 -3.571 -9.800 1.594
59 H ARG 11 HN ARG 11 -4.352 -7.964 2.414
60 HA ARG 11 HA ARG 11 -7.170 -7.327 2.237
61 HB2 ARG 11 2HB ARG 11 -7.615 -7.232 4.572
62 HB3 ARG 11 3HB ARG 11 -6.915 -8.815 4.258
63 HG2 ARG 11 2HG ARG 11 -5.173 -6.550 5.133
64 HG3 ARG 11 3HG ARG 11 -6.131 -7.450 6.311
65 HD2 ARG 11 2HD ARG 11 -4.667 -9.147 4.434
66 HD3 ARG 11 3HD ARG 11 -3.626 -8.133 5.433
67 HE ARG 11 HE ARG 11 -4.946 -10.452 6.270
68 HH11 ARG 11 1HH1 ARG 11 -4.388 -7.187 7.339
69 HH12 ARG 11 2HH1 ARG 11 -4.488 -7.582 9.023
70 HH21 ARG 11 1HH2 ARG 11 -5.079 -10.985 8.484
71 HH22 ARG 11 2HH2 ARG 11 -4.880 -9.742 9.673
72 H ALA 12 HN ALA 12 -7.216 -5.356 4.233
73 HA ALA 12 HA ALA 12 -5.135 -3.486 3.305
74 HB1 ALA 12 1HB ALA 12 -8.060 -2.925 3.771
75 HB2 ALA 12 2HB ALA 12 -6.838 -1.687 3.472
76 HB3 ALA 12 3HB ALA 12 -7.198 -2.888 2.232
77 H ASP 13 HN ASP 13 -3.810 -3.197 4.982
78 HA ASP 13 HA ASP 13 -4.793 -3.267 7.705
79 HB2 ASP 13 2HB ASP 13 -2.150 -3.310 6.379
80 HB3 ASP 13 3HB ASP 13 -2.198 -2.530 7.958
81 H LEU 14 HN LEU 14 -4.045 -0.909 5.309
82 HA LEU 14 HA LEU 14 -4.802 1.208 7.162
83 HB2 LEU 14 2HB LEU 14 -2.121 0.758 6.362
84 HB3 LEU 14 3HB LEU 14 -2.680 2.222 5.557
85 HG LEU 14 HG LEU 14 -3.170 1.980 8.477
86 HD11 LEU 14 1HD1 LEU 14 -0.935 1.256 8.507
87 HD12 LEU 14 2HD1 LEU 14 -0.866 2.989 8.824
88 HD13 LEU 14 3HD1 LEU 14 -0.469 2.369 7.220
89 HD21 LEU 14 1HD2 LEU 14 -3.996 3.950 7.552
90 HD22 LEU 14 2HD2 LEU 14 -2.603 4.151 6.490
91 HD23 LEU 14 3HD2 LEU 14 -2.439 4.434 8.224
92 H ILE 15 HN ILE 15 -6.233 2.518 6.236
93 HA ILE 15 HA ILE 15 -6.451 2.489 3.303
94 HB ILE 15 HB ILE 15 -8.564 3.371 5.268
95 HG12 ILE 15 2HG1 ILE 15 -8.244 0.699 3.883
96 HG13 ILE 15 3HG1 ILE 15 -8.035 0.996 5.605
97 HG21 ILE 15 1HG2 ILE 15 -8.439 4.015 2.698
98 HG22 ILE 15 2HG2 ILE 15 -9.165 2.419 2.525
99 HG23 ILE 15 3HG2 ILE 15 -9.967 3.650 3.499
100 HD11 ILE 15 1HD1 ILE 15 -10.396 0.336 4.196
101 HD12 ILE 15 2HD1 ILE 15 -10.184 0.613 5.925
102 HD13 ILE 15 3HD1 ILE 15 -10.591 1.958 4.860
103 H LEU 16 HN LEU 16 -4.812 4.086 3.027
104 HA LEU 16 HA LEU 16 -4.463 6.501 4.174
105 HB2 LEU 16 2HB LEU 16 -4.406 5.800 1.249
106 HB3 LEU 16 3HB LEU 16 -3.881 7.366 1.866
107 HG LEU 16 HG LEU 16 -2.646 4.688 2.505
108 HD11 LEU 16 1HD1 LEU 16 -2.331 6.207 0.253
109 HD12 LEU 16 2HD1 LEU 16 -1.149 5.065 0.890
110 HD13 LEU 16 3HD1 LEU 16 -1.018 6.780 1.282
111 HD21 LEU 16 1HD2 LEU 16 -0.864 6.353 3.461
112 HD22 LEU 16 2HD2 LEU 16 -2.246 5.859 4.439
113 HD23 LEU 16 3HD2 LEU 16 -2.255 7.423 3.625
114 HA PRO 17 HA PRO 17 -8.043 8.996 3.686
115 HB2 PRO 17 2HB PRO 17 -6.930 11.464 3.481
116 HB3 PRO 17 3HB PRO 17 -6.982 10.557 4.997
117 HG2 PRO 17 2HG PRO 17 -4.731 10.857 3.047
118 HG3 PRO 17 3HG PRO 17 -4.692 10.916 4.819
119 HD2 PRO 17 2HD PRO 17 -3.963 8.717 3.419
120 HD3 PRO 17 3HD PRO 17 -4.719 8.621 5.022
121 H CYS 18 HN CYS 18 -5.998 8.353 1.188
122 HA CYS 18 HA CYS 18 -7.330 10.177 -0.688
123 HB2 CYS 18 2HB CYS 18 -5.555 9.608 -2.262
124 HB3 CYS 18 3HB CYS 18 -4.865 10.150 -0.736
125 H ALA 19 HN ALA 19 -7.859 7.238 0.563
126 HA ALA 19 HA ALA 19 -9.299 5.568 -0.048
127 HB1 ALA 19 1HB ALA 19 -10.148 7.580 -1.609
128 HB2 ALA 19 2HB ALA 19 -9.607 6.446 -2.848
129 HB3 ALA 19 3HB ALA 19 -10.823 5.951 -1.671
130 H HIS 20 HN HIS 20 -6.614 5.106 -0.119
131 HA HIS 20 HA HIS 20 -6.436 3.097 -2.226
132 HB2 HIS 20 2HB HIS 20 -4.461 5.331 -1.814
133 HB3 HIS 20 3HB HIS 20 -3.982 3.809 -2.556
134 HD2 HIS 20 2HD HIS 20 -6.443 3.363 -4.615
135 HE1 HIS 20 1HE HIS 20 -5.529 7.272 -5.988
136 HE2 HIS 20 2HE HIS 20 -6.775 5.136 -6.469
137 H SER 21 HN SER 21 -6.529 1.422 -0.802
138 HA SER 21 HA SER 21 -5.203 1.335 1.687
139 HB2 SER 21 2HB SER 21 -6.833 -0.256 1.698
140 HB3 SER 21 3HB SER 21 -6.672 -0.581 -0.028
141 HG SER 21 HG SER 21 -5.084 -1.557 2.100
142 H PHE 22 HN PHE 22 -3.458 -0.128 2.301
143 HA PHE 22 HA PHE 22 -1.672 -1.123 0.287
144 HB2 PHE 22 2HB PHE 22 -0.822 1.257 1.952
145 HB3 PHE 22 3HB PHE 22 0.252 0.298 0.940
146 HD1 PHE 22 1HD PHE 22 -0.313 0.168 -1.563
147 HD2 PHE 22 2HD PHE 22 -1.924 3.095 1.075
148 HE1 PHE 22 1HE PHE 22 -0.840 1.607 -3.487
149 HE2 PHE 22 2HE PHE 22 -2.454 4.538 -0.846
150 HZ PHE 22 HZ PHE 22 -1.913 3.795 -3.131
151 H CYS 23 HN CYS 23 -1.883 -3.064 1.393
152 HA CYS 23 HA CYS 23 -1.803 -3.649 4.029
153 HB2 CYS 23 2HB CYS 23 -1.009 -5.818 3.480
154 HB3 CYS 23 3HB CYS 23 -1.921 -5.271 2.077
155 H GLN 24 HN GLN 24 -0.315 -3.869 5.655
156 HA GLN 24 HA GLN 24 1.708 -2.160 6.030
157 HB2 GLN 24 2HB GLN 24 0.785 -4.097 7.544
158 HB3 GLN 24 3HB GLN 24 2.186 -4.971 6.940
159 HG2 GLN 24 2HG GLN 24 2.865 -4.023 8.968
160 HG3 GLN 24 3HG GLN 24 3.577 -3.008 7.714
161 HE21 GLN 24 1HE2 GLN 24 3.657 -1.038 8.550
162 HE22 GLN 24 2HE2 GLN 24 2.334 -0.197 9.273
163 H LYS 25 HN LYS 25 2.318 -5.475 4.852
164 HA LYS 25 HA LYS 25 4.939 -5.492 4.350
165 HB2 LYS 25 2HB LYS 25 2.645 -6.753 3.139
166 HB3 LYS 25 3HB LYS 25 3.874 -6.436 1.922
167 HG2 LYS 25 2HG LYS 25 5.527 -7.579 3.400
168 HG3 LYS 25 3HG LYS 25 4.185 -8.028 4.455
169 HD2 LYS 25 2HD LYS 25 3.189 -9.364 2.773
170 HD3 LYS 25 3HD LYS 25 4.238 -8.697 1.521
171 HE2 LYS 25 2HE LYS 25 5.892 -9.796 3.544
172 HE3 LYS 25 3HE LYS 25 4.648 -10.985 3.165
173 HZ1 LYS 25 1HZ LYS 25 5.707 -11.476 1.301
174 HZ2 LYS 25 2HZ LYS 25 6.938 -10.389 1.704
175 HZ3 LYS 25 3HZ LYS 25 5.625 -9.871 0.774
176 H CYS 26 HN CYS 26 2.629 -4.189 1.960
177 HA CYS 26 HA CYS 26 4.583 -3.113 0.249
178 HB2 CYS 26 2HB CYS 26 1.666 -2.453 0.648
179 HB3 CYS 26 3HB CYS 26 2.652 -1.687 -0.593
180 H ILE 27 HN ILE 27 2.819 -1.727 2.974
181 HA ILE 27 HA ILE 27 3.729 0.929 2.645
182 HB ILE 27 HB ILE 27 2.151 -0.519 4.564
183 HG12 ILE 27 2HG1 ILE 27 2.383 2.465 4.469
184 HG13 ILE 27 3HG1 ILE 27 1.750 1.609 3.067
185 HG21 ILE 27 1HG2 ILE 27 4.184 1.391 5.707
186 HG22 ILE 27 2HG2 ILE 27 2.761 0.803 6.567
187 HG23 ILE 27 3HG2 ILE 27 4.021 -0.327 6.071
188 HD11 ILE 27 1HD1 ILE 27 0.263 2.496 5.150
189 HD12 ILE 27 2HD1 ILE 27 -0.205 1.189 4.061
190 HD13 ILE 27 3HD1 ILE 27 0.546 0.819 5.614
191 H ASP 28 HN ASP 28 5.209 -1.909 3.917
192 HA ASP 28 HA ASP 28 7.274 -0.402 5.320
193 HB2 ASP 28 2HB ASP 28 6.113 -2.829 5.839
194 HB3 ASP 28 3HB ASP 28 7.620 -3.310 5.066
195 H LYS 29 HN LYS 29 6.739 -2.049 2.329
196 HA LYS 29 HA LYS 29 9.529 -2.325 1.665
197 HB2 LYS 29 2HB LYS 29 8.072 -3.941 0.706
198 HB3 LYS 29 3HB LYS 29 6.976 -2.703 0.107
199 HG2 LYS 29 2HG LYS 29 8.066 -2.594 -1.814
200 HG3 LYS 29 3HG LYS 29 9.592 -2.285 -0.981
201 HD2 LYS 29 2HD LYS 29 8.473 -5.060 -1.130
202 HD3 LYS 29 3HD LYS 29 9.375 -4.384 -2.488
203 HE2 LYS 29 2HE LYS 29 11.013 -5.480 -1.259
204 HE3 LYS 29 3HE LYS 29 11.164 -3.807 -0.722
205 HZ1 LYS 29 1HZ LYS 29 10.473 -4.317 1.338
206 HZ2 LYS 29 2HZ LYS 29 10.960 -5.885 0.933
207 HZ3 LYS 29 3HZ LYS 29 9.331 -5.448 0.811
208 H TRP 30 HN TRP 30 7.143 -0.811 -0.446
209 HA TRP 30 HA TRP 30 8.670 0.889 -1.827
210 HB2 TRP 30 2HB TRP 30 5.925 1.397 -0.686
211 HB3 TRP 30 3HB TRP 30 6.699 2.517 -1.803
212 HD1 TRP 30 1HD TRP 30 4.768 -0.704 -1.697
213 HE1 TRP 30 1HE TRP 30 4.434 -1.592 -4.089
214 HE3 TRP 30 3HE TRP 30 7.964 2.423 -4.175
215 HZ2 TRP 30 2HZ TRP 30 5.399 -1.041 -6.683
216 HZ3 TRP 30 3HZ TRP 30 8.201 2.176 -6.612
217 HH2 TRP 30 2HH TRP 30 6.945 0.478 -7.838
218 H SER 31 HN SER 31 7.390 1.606 1.409
219 HA SER 31 HA SER 31 7.900 3.236 2.922
220 HB2 SER 31 2HB SER 31 9.968 1.791 2.915
221 HB3 SER 31 3HB SER 31 10.701 2.957 1.815
222 HG SER 31 HG SER 31 11.214 3.348 4.031
223 H ASP 32 HN ASP 32 6.666 4.551 1.136
224 HA ASP 32 HA ASP 32 7.918 6.353 -0.544
225 HB2 ASP 32 2HB ASP 32 5.304 6.269 0.863
226 HB3 ASP 32 3HB ASP 32 5.807 7.830 0.219
227 H ARG 33 HN ARG 33 7.408 6.537 2.926
228 HA ARG 33 HA ARG 33 8.258 7.910 4.528
229 HB2 ARG 33 2HB ARG 33 10.225 8.282 2.298
230 HB3 ARG 33 3HB ARG 33 10.340 9.287 3.736
231 HG2 ARG 33 2HG ARG 33 10.200 6.307 3.961
232 HG3 ARG 33 3HG ARG 33 11.725 7.124 3.614
233 HD2 ARG 33 2HD ARG 33 11.964 7.737 5.739
234 HD3 ARG 33 3HD ARG 33 10.335 8.409 5.789
235 HE ARG 33 HE ARG 33 10.273 5.577 5.945
236 HH11 ARG 33 1HH1 ARG 33 10.963 8.434 7.812
237 HH12 ARG 33 2HH1 ARG 33 10.575 7.694 9.330
238 HH21 ARG 33 1HH2 ARG 33 9.760 4.592 7.937
239 HH22 ARG 33 2HH2 ARG 33 9.892 5.509 9.400
240 H HIS 34 HN HIS 34 6.498 8.905 2.086
241 HA HIS 34 HA HIS 34 6.693 11.766 2.763
242 HB2 HIS 34 2HB HIS 34 5.914 10.350 0.236
243 HB3 HIS 34 3HB HIS 34 5.307 11.970 0.559
244 HD2 HIS 34 2HD HIS 34 8.988 11.164 1.534
245 HE1 HIS 34 1HE HIS 34 9.026 13.659 -1.898
246 HE2 HIS 34 2HE HIS 34 10.424 12.502 -0.151
247 H ARG 35 HN ARG 35 4.678 8.964 2.730
248 HA ARG 35 HA ARG 35 2.718 8.595 3.873
249 HB2 ARG 35 2HB ARG 35 3.513 10.813 5.117
250 HB3 ARG 35 3HB ARG 35 2.148 11.494 4.242
251 HG2 ARG 35 2HG ARG 35 0.827 10.771 5.861
252 HG3 ARG 35 3HG ARG 35 1.205 9.118 5.373
253 HD2 ARG 35 2HD ARG 35 2.755 8.835 7.037
254 HD3 ARG 35 3HD ARG 35 3.135 10.554 7.121
255 HE ARG 35 HE ARG 35 1.439 10.832 8.646
256 HH11 ARG 35 1HH1 ARG 35 1.204 7.679 7.190
257 HH12 ARG 35 2HH1 ARG 35 0.001 7.112 8.300
258 HH21 ARG 35 1HH2 ARG 35 -0.145 10.097 10.115
259 HH22 ARG 35 2HH2 ARG 35 -0.766 8.489 9.963
260 H ASN 36 HN ASN 36 3.179 10.562 1.182
261 HA ASN 36 HA ASN 36 0.564 11.272 0.472
262 HB2 ASN 36 2HB ASN 36 1.606 11.064 -1.939
263 HB3 ASN 36 3HB ASN 36 2.142 12.331 -0.840
264 HD21 ASN 36 1HD2 ASN 36 3.031 9.074 -0.180
265 HD22 ASN 36 2HD2 ASN 36 4.688 9.202 -0.653
266 H CYS 37 HN CYS 37 2.125 9.086 -1.735
267 HA CYS 37 HA CYS 37 1.095 6.642 -1.273
268 HB2 CYS 37 2HB CYS 37 -1.138 7.133 -1.060
269 HB3 CYS 37 3HB CYS 37 -1.052 8.510 -2.154
270 HA PRO 38 HA PRO 38 3.100 6.075 -5.150
271 HB2 PRO 38 2HB PRO 38 2.363 3.508 -5.642
272 HB3 PRO 38 3HB PRO 38 3.567 3.944 -4.425
273 HG2 PRO 38 2HG PRO 38 0.669 3.287 -4.071
274 HG3 PRO 38 3HG PRO 38 2.059 2.771 -3.100
275 HD2 PRO 38 2HD PRO 38 0.417 4.782 -2.335
276 HD3 PRO 38 3HD PRO 38 2.146 4.759 -1.936
277 H ILE 39 HN ILE 39 -0.187 4.683 -5.035
278 HA ILE 39 HA ILE 39 -0.620 4.953 -7.831
279 HB ILE 39 HB ILE 39 -2.716 4.671 -5.677
280 HG12 ILE 39 2HG1 ILE 39 -1.065 2.594 -7.120
281 HG13 ILE 39 3HG1 ILE 39 -1.159 2.874 -5.385
282 HG21 ILE 39 1HG2 ILE 39 -2.712 4.232 -8.647
283 HG22 ILE 39 2HG2 ILE 39 -3.911 3.487 -7.592
284 HG23 ILE 39 3HG2 ILE 39 -3.788 5.243 -7.685
285 HD11 ILE 39 1HD1 ILE 39 -2.541 1.104 -5.487
286 HD12 ILE 39 2HD1 ILE 39 -3.732 2.342 -5.888
287 HD13 ILE 39 3HD1 ILE 39 -2.973 1.399 -7.171
288 H CYS 40 HN CYS 40 -0.359 7.274 -5.527
289 HA CYS 40 HA CYS 40 -2.431 9.019 -6.634
290 HB2 CYS 40 2HB CYS 40 -0.909 8.905 -4.109
291 HB3 CYS 40 3HB CYS 40 -1.185 10.525 -4.738
292 H ARG 41 HN ARG 41 0.953 8.440 -6.766
293 HA ARG 41 HA ARG 41 1.677 11.067 -7.691
294 HB2 ARG 41 2HB ARG 41 3.889 10.098 -8.073
295 HB3 ARG 41 3HB ARG 41 3.288 9.679 -6.474
296 HG2 ARG 41 2HG ARG 41 3.413 7.504 -6.902
297 HG3 ARG 41 3HG ARG 41 2.570 7.685 -8.441
298 HD2 ARG 41 2HD ARG 41 4.482 7.724 -9.626
299 HD3 ARG 41 3HD ARG 41 5.325 8.695 -8.419
300 HE ARG 41 HE ARG 41 5.144 6.283 -7.227
301 HH11 ARG 41 1HH1 ARG 41 6.261 7.303 -10.363
302 HH12 ARG 41 2HH1 ARG 41 7.422 6.025 -10.510
303 HH21 ARG 41 1HH2 ARG 41 6.669 4.595 -7.409
304 HH22 ARG 41 2HH2 ARG 41 7.652 4.484 -8.829
305 H LEU 42 HN LEU 42 -0.129 10.922 -9.355
306 HA LEU 42 HA LEU 42 1.002 10.669 -11.919
307 HB2 LEU 42 2HB LEU 42 -0.585 8.847 -12.715
308 HB3 LEU 42 3HB LEU 42 0.833 8.347 -11.797
309 HG LEU 42 HG LEU 42 -0.479 7.879 -9.868
310 HD11 LEU 42 1HD1 LEU 42 -2.722 9.225 -11.354
311 HD12 LEU 42 2HD1 LEU 42 -1.995 9.704 -9.821
312 HD13 LEU 42 3HD1 LEU 42 -2.963 8.234 -9.915
313 HD21 LEU 42 1HD2 LEU 42 -1.699 6.046 -10.611
314 HD22 LEU 42 2HD2 LEU 42 -0.539 6.309 -11.912
315 HD23 LEU 42 3HD2 LEU 42 -2.206 6.857 -12.094
Start of MODEL 15
1 H1 GLU 1 HN GLU 1 -14.931 -6.243 3.597
2 HA GLU 1 HA GLU 1 -13.225 -4.089 4.626
3 HB2 GLU 1 2HB GLU 1 -11.738 -5.743 5.412
4 HB3 GLU 1 3HB GLU 1 -13.344 -6.361 5.773
5 HG2 GLU 1 2HG GLU 1 -13.073 -7.545 3.453
6 HG3 GLU 1 3HG GLU 1 -11.356 -7.301 3.771
7 H GLU 2 HN GLU 2 -12.020 -3.008 3.228
8 HA GLU 2 HA GLU 2 -11.751 -3.739 0.512
9 HB2 GLU 2 2HB GLU 2 -9.932 -1.888 0.587
10 HB3 GLU 2 3HB GLU 2 -11.610 -1.449 0.872
11 HG2 GLU 2 2HG GLU 2 -10.111 -2.168 3.283
12 HG3 GLU 2 3HG GLU 2 -9.527 -0.730 2.448
13 H GLU 3 HN GLU 3 -9.384 -3.616 -0.462
14 HA GLU 3 HA GLU 3 -7.536 -5.255 1.101
15 HB2 GLU 3 2HB GLU 3 -8.509 -5.999 -1.663
16 HB3 GLU 3 3HB GLU 3 -7.203 -6.799 -0.802
17 HG2 GLU 3 2HG GLU 3 -8.626 -7.799 0.709
18 HG3 GLU 3 3HG GLU 3 -9.901 -6.609 0.453
19 H CYS 4 HN CYS 4 -5.365 -5.236 0.307
20 HA CYS 4 HA CYS 4 -4.252 -2.878 -0.315
21 HB2 CYS 4 2HB CYS 4 -3.084 -5.104 0.126
22 HB3 CYS 4 3HB CYS 4 -3.221 -5.402 -1.603
23 H CYS 5 HN CYS 5 -3.536 -1.774 -2.175
24 HA CYS 5 HA CYS 5 -5.210 -2.274 -4.533
25 HB2 CYS 5 2HB CYS 5 -4.577 0.074 -3.108
26 HB3 CYS 5 3HB CYS 5 -3.753 0.208 -4.656
27 HG CYS 5 HG CYS 5 -6.535 -0.755 -5.671
28 H ILE 6 HN ILE 6 -2.482 -3.455 -3.681
29 HA ILE 6 HA ILE 6 -1.222 -3.088 -6.312
30 HB ILE 6 HB ILE 6 0.228 -3.190 -3.665
31 HG12 ILE 6 2HG1 ILE 6 0.301 -1.021 -5.762
32 HG13 ILE 6 3HG1 ILE 6 -0.842 -1.003 -4.424
33 HG21 ILE 6 1HG2 ILE 6 1.364 -4.486 -5.430
34 HG22 ILE 6 2HG2 ILE 6 1.380 -3.046 -6.447
35 HG23 ILE 6 3HG2 ILE 6 2.283 -3.065 -4.932
36 HD11 ILE 6 1HD1 ILE 6 2.149 -0.818 -4.308
37 HD12 ILE 6 2HD1 ILE 6 0.954 0.368 -3.782
38 HD13 ILE 6 3HD1 ILE 6 1.154 -1.139 -2.889
39 H CYS 7 HN CYS 7 -1.786 -5.122 -3.511
40 HA CYS 7 HA CYS 7 -1.200 -7.470 -5.178
41 HB2 CYS 7 2HB CYS 7 -0.085 -8.588 -3.364
42 HB3 CYS 7 3HB CYS 7 0.687 -7.024 -3.594
43 H MET 8 HN MET 8 -3.702 -6.717 -5.105
44 HA MET 8 HA MET 8 -5.473 -7.118 -3.157
45 HB2 MET 8 2HB MET 8 -5.550 -8.123 -5.988
46 HB3 MET 8 3HB MET 8 -6.909 -8.379 -4.901
47 HG2 MET 8 2HG MET 8 -7.149 -5.990 -4.593
48 HG3 MET 8 3HG MET 8 -5.739 -5.698 -5.608
49 HE1 MET 8 1HE MET 8 -9.975 -6.423 -6.447
50 HE2 MET 8 2HE MET 8 -9.083 -5.688 -5.115
51 HE3 MET 8 3HE MET 8 -9.404 -4.759 -6.579
52 H ASP 9 HN ASP 9 -4.855 -8.478 -1.504
53 HA ASP 9 HA ASP 9 -5.788 -11.047 -1.415
54 HB2 ASP 9 2HB ASP 9 -3.154 -10.886 -2.709
55 HB3 ASP 9 3HB ASP 9 -3.233 -12.042 -1.382
56 H GLY 10 HN GLY 10 -3.338 -8.789 -0.371
57 HA2 GLY 10 1HA GLY 10 -3.094 -10.086 2.233
58 HA3 GLY 10 2HA GLY 10 -2.170 -8.702 1.669
59 H ARG 11 HN ARG 11 -5.564 -8.578 1.181
60 HA ARG 11 HA ARG 11 -7.165 -7.179 1.995
61 HB2 ARG 11 2HB ARG 11 -5.797 -8.079 4.522
62 HB3 ARG 11 3HB ARG 11 -7.196 -7.014 4.555
63 HG2 ARG 11 2HG ARG 11 -8.245 -9.013 4.778
64 HG3 ARG 11 3HG ARG 11 -8.221 -8.902 3.017
65 HD2 ARG 11 2HD ARG 11 -6.852 -10.659 2.822
66 HD3 ARG 11 3HD ARG 11 -5.799 -10.088 4.115
67 HE ARG 11 HE ARG 11 -8.044 -11.028 5.378
68 HH11 ARG 11 1HH1 ARG 11 -5.667 -12.339 3.200
69 HH12 ARG 11 2HH1 ARG 11 -5.796 -13.952 3.822
70 HH21 ARG 11 1HH2 ARG 11 -8.224 -13.145 6.205
71 HH22 ARG 11 2HH2 ARG 11 -7.251 -14.409 5.531
72 H ALA 12 HN ALA 12 -7.551 -5.130 3.319
73 HA ALA 12 HA ALA 12 -5.262 -3.342 2.887
74 HB1 ALA 12 1HB ALA 12 -7.065 -1.544 3.061
75 HB2 ALA 12 2HB ALA 12 -7.091 -2.581 1.634
76 HB3 ALA 12 3HB ALA 12 -8.226 -2.867 2.953
77 H ASP 13 HN ASP 13 -4.114 -3.476 4.771
78 HA ASP 13 HA ASP 13 -5.466 -3.228 7.329
79 HB2 ASP 13 2HB ASP 13 -3.428 -4.728 6.830
80 HB3 ASP 13 3HB ASP 13 -2.484 -3.242 6.921
81 H LEU 14 HN LEU 14 -4.426 -1.121 4.998
82 HA LEU 14 HA LEU 14 -4.473 1.100 6.876
83 HB2 LEU 14 2HB LEU 14 -2.052 0.160 6.176
84 HB3 LEU 14 3HB LEU 14 -2.336 1.281 4.846
85 HG LEU 14 HG LEU 14 -1.323 2.746 6.217
86 HD11 LEU 14 1HD1 LEU 14 -2.840 4.175 7.125
87 HD12 LEU 14 2HD1 LEU 14 -3.725 2.893 7.951
88 HD13 LEU 14 3HD1 LEU 14 -3.946 3.143 6.218
89 HD21 LEU 14 1HD2 LEU 14 -0.594 1.137 7.830
90 HD22 LEU 14 2HD2 LEU 14 -2.213 1.022 8.524
91 HD23 LEU 14 3HD2 LEU 14 -1.281 2.510 8.700
92 H ILE 15 HN ILE 15 -6.175 2.163 6.074
93 HA ILE 15 HA ILE 15 -6.424 2.482 3.170
94 HB ILE 15 HB ILE 15 -8.483 3.335 5.187
95 HG12 ILE 15 2HG1 ILE 15 -9.316 0.892 4.132
96 HG13 ILE 15 3HG1 ILE 15 -7.624 0.634 4.539
97 HG21 ILE 15 1HG2 ILE 15 -8.891 2.335 2.385
98 HG22 ILE 15 2HG2 ILE 15 -9.996 3.269 3.392
99 HG23 ILE 15 3HG2 ILE 15 -8.544 4.028 2.738
100 HD11 ILE 15 1HD1 ILE 15 -9.851 1.479 6.364
101 HD12 ILE 15 2HD1 ILE 15 -8.894 -0.002 6.422
102 HD13 ILE 15 3HD1 ILE 15 -8.149 1.545 6.818
103 H LEU 16 HN LEU 16 -4.863 4.091 2.854
104 HA LEU 16 HA LEU 16 -4.429 6.397 4.259
105 HB2 LEU 16 2HB LEU 16 -4.349 5.881 1.300
106 HB3 LEU 16 3HB LEU 16 -3.853 7.421 1.998
107 HG LEU 16 HG LEU 16 -2.561 4.725 2.355
108 HD11 LEU 16 1HD1 LEU 16 -2.065 6.129 0.327
109 HD12 LEU 16 2HD1 LEU 16 -0.672 5.719 1.328
110 HD13 LEU 16 3HD1 LEU 16 -1.381 7.331 1.423
111 HD21 LEU 16 1HD2 LEU 16 -0.925 6.356 3.696
112 HD22 LEU 16 2HD2 LEU 16 -2.217 5.442 4.476
113 HD23 LEU 16 3HD2 LEU 16 -2.462 7.140 4.060
114 HA PRO 17 HA PRO 17 -7.950 8.996 3.927
115 HB2 PRO 17 2HB PRO 17 -6.798 11.451 3.802
116 HB3 PRO 17 3HB PRO 17 -6.838 10.483 5.281
117 HG2 PRO 17 2HG PRO 17 -4.618 10.828 3.301
118 HG3 PRO 17 3HG PRO 17 -4.545 10.812 5.073
119 HD2 PRO 17 2HD PRO 17 -3.881 8.661 3.567
120 HD3 PRO 17 3HD PRO 17 -4.608 8.510 5.179
121 H CYS 18 HN CYS 18 -5.965 8.423 1.364
122 HA CYS 18 HA CYS 18 -7.290 10.353 -0.408
123 HB2 CYS 18 2HB CYS 18 -5.568 9.670 -2.069
124 HB3 CYS 18 3HB CYS 18 -4.880 10.353 -0.599
125 H ALA 19 HN ALA 19 -7.773 7.317 0.709
126 HA ALA 19 HA ALA 19 -9.343 5.763 0.064
127 HB1 ALA 19 1HB ALA 19 -9.463 6.940 -2.688
128 HB2 ALA 19 2HB ALA 19 -10.710 6.073 -1.790
129 HB3 ALA 19 3HB ALA 19 -10.276 7.719 -1.330
130 H HIS 20 HN HIS 20 -6.558 5.379 -0.077
131 HA HIS 20 HA HIS 20 -6.441 3.351 -2.195
132 HB2 HIS 20 2HB HIS 20 -4.343 5.428 -1.574
133 HB3 HIS 20 3HB HIS 20 -3.977 3.946 -2.453
134 HD2 HIS 20 2HD HIS 20 -6.212 3.810 -4.679
135 HE1 HIS 20 1HE HIS 20 -5.361 7.892 -5.466
136 HE2 HIS 20 2HE HIS 20 -6.501 5.806 -6.300
137 H SER 21 HN SER 21 -6.287 1.465 -1.188
138 HA SER 21 HA SER 21 -5.266 1.228 1.480
139 HB2 SER 21 2HB SER 21 -5.698 -1.213 1.144
140 HB3 SER 21 3HB SER 21 -7.100 -0.198 0.805
141 HG SER 21 HG SER 21 -6.688 -0.423 -1.391
142 H PHE 22 HN PHE 22 -3.531 -0.213 2.113
143 HA PHE 22 HA PHE 22 -1.602 -1.083 0.183
144 HB2 PHE 22 2HB PHE 22 -0.928 1.281 1.947
145 HB3 PHE 22 3HB PHE 22 0.249 0.359 1.017
146 HD1 PHE 22 1HD PHE 22 -0.116 0.239 -1.526
147 HD2 PHE 22 2HD PHE 22 -1.992 3.106 1.001
148 HE1 PHE 22 1HE PHE 22 -0.521 1.687 -3.474
149 HE2 PHE 22 2HE PHE 22 -2.400 4.557 -0.943
150 HZ PHE 22 HZ PHE 22 -1.666 3.848 -3.184
151 H CYS 23 HN CYS 23 -1.947 -3.050 1.272
152 HA CYS 23 HA CYS 23 -1.922 -3.649 3.912
153 HB2 CYS 23 2HB CYS 23 -1.320 -5.841 3.351
154 HB3 CYS 23 3HB CYS 23 -2.037 -5.220 1.868
155 H GLN 24 HN GLN 24 -0.374 -4.176 5.485
156 HA GLN 24 HA GLN 24 1.703 -2.474 5.900
157 HB2 GLN 24 2HB GLN 24 1.072 -5.201 6.892
158 HB3 GLN 24 3HB GLN 24 2.695 -4.596 7.200
159 HG2 GLN 24 2HG GLN 24 0.732 -2.594 7.836
160 HG3 GLN 24 3HG GLN 24 0.386 -4.103 8.681
161 HE21 GLN 24 1HE2 GLN 24 2.099 -1.269 8.779
162 HE22 GLN 24 2HE2 GLN 24 3.269 -1.694 9.975
163 H LYS 25 HN LYS 25 2.139 -5.812 4.712
164 HA LYS 25 HA LYS 25 4.751 -5.979 4.214
165 HB2 LYS 25 2HB LYS 25 2.842 -6.656 1.988
166 HB3 LYS 25 3HB LYS 25 4.323 -7.487 2.447
167 HG2 LYS 25 2HG LYS 25 3.102 -7.981 4.660
168 HG3 LYS 25 3HG LYS 25 1.639 -7.554 3.767
169 HD2 LYS 25 2HD LYS 25 1.612 -9.528 2.736
170 HD3 LYS 25 3HD LYS 25 3.295 -9.351 2.233
171 HE2 LYS 25 2HE LYS 25 2.820 -10.007 5.077
172 HE3 LYS 25 3HE LYS 25 2.449 -11.270 3.904
173 HZ1 LYS 25 1HZ LYS 25 4.603 -11.735 3.905
174 HZ2 LYS 25 2HZ LYS 25 4.980 -10.371 4.829
175 HZ3 LYS 25 3HZ LYS 25 4.889 -10.252 3.144
176 H CYS 26 HN CYS 26 2.507 -4.367 1.961
177 HA CYS 26 HA CYS 26 4.583 -3.408 0.265
178 HB2 CYS 26 2HB CYS 26 1.672 -2.648 0.543
179 HB3 CYS 26 3HB CYS 26 2.739 -1.954 -0.674
180 H ILE 27 HN ILE 27 2.778 -2.051 2.967
181 HA ILE 27 HA ILE 27 3.731 0.604 2.701
182 HB ILE 27 HB ILE 27 1.983 -0.782 4.449
183 HG12 ILE 27 2HG1 ILE 27 2.610 2.158 4.591
184 HG13 ILE 27 3HG1 ILE 27 1.808 1.466 3.186
185 HG21 ILE 27 1HG2 ILE 27 2.590 0.074 6.623
186 HG22 ILE 27 2HG2 ILE 27 3.907 -0.911 5.990
187 HG23 ILE 27 3HG2 ILE 27 4.025 0.848 5.952
188 HD11 ILE 27 1HD1 ILE 27 0.561 0.651 5.668
189 HD12 ILE 27 2HD1 ILE 27 0.594 2.403 5.469
190 HD13 ILE 27 3HD1 ILE 27 -0.147 1.388 4.232
191 H ASP 28 HN ASP 28 5.205 -2.264 3.789
192 HA ASP 28 HA ASP 28 7.217 -0.829 5.358
193 HB2 ASP 28 2HB ASP 28 6.194 -3.572 5.296
194 HB3 ASP 28 3HB ASP 28 7.952 -3.487 5.377
195 H LYS 29 HN LYS 29 6.807 -2.636 2.387
196 HA LYS 29 HA LYS 29 9.612 -2.749 1.779
197 HB2 LYS 29 2HB LYS 29 7.084 -3.483 0.375
198 HB3 LYS 29 3HB LYS 29 8.538 -3.267 -0.592
199 HG2 LYS 29 2HG LYS 29 9.022 -4.910 1.745
200 HG3 LYS 29 3HG LYS 29 7.750 -5.569 0.713
201 HD2 LYS 29 2HD LYS 29 10.227 -4.586 -0.600
202 HD3 LYS 29 3HD LYS 29 10.322 -6.099 0.304
203 HE2 LYS 29 2HE LYS 29 9.472 -7.142 -1.464
204 HE3 LYS 29 3HE LYS 29 7.969 -6.255 -1.212
205 HZ1 LYS 29 1HZ LYS 29 8.500 -5.702 -3.361
206 HZ2 LYS 29 2HZ LYS 29 10.168 -5.685 -3.079
207 HZ3 LYS 29 3HZ LYS 29 9.203 -4.412 -2.522
208 H TRP 30 HN TRP 30 6.920 -0.641 0.981
209 HA TRP 30 HA TRP 30 8.782 1.089 -0.510
210 HB2 TRP 30 2HB TRP 30 5.789 1.223 -0.776
211 HB3 TRP 30 3HB TRP 30 7.021 1.813 -1.888
212 HD1 TRP 30 1HD TRP 30 4.742 -1.043 -1.367
213 HE1 TRP 30 1HE TRP 30 5.318 -2.966 -2.975
214 HE3 TRP 30 3HE TRP 30 9.306 0.595 -2.989
215 HZ2 TRP 30 2HZ TRP 30 7.428 -3.695 -4.703
216 HZ3 TRP 30 3HZ TRP 30 10.538 -0.775 -4.620
217 HH2 TRP 30 2HH TRP 30 9.617 -2.875 -5.457
218 H SER 31 HN SER 31 8.433 3.407 -0.306
219 HA SER 31 HA SER 31 8.438 5.251 1.043
220 HB2 SER 31 2HB SER 31 5.769 4.243 0.803
221 HB3 SER 31 3HB SER 31 5.969 4.937 2.412
222 HG SER 31 HG SER 31 5.691 6.767 1.426
223 H ASP 32 HN ASP 32 7.452 5.860 3.499
224 HA ASP 32 HA ASP 32 7.982 3.862 5.462
225 HB2 ASP 32 2HB ASP 32 9.969 5.424 6.358
226 HB3 ASP 32 3HB ASP 32 10.248 4.043 5.300
227 H ARG 33 HN ARG 33 8.983 7.209 5.812
228 HA ARG 33 HA ARG 33 6.578 7.695 7.445
229 HB2 ARG 33 2HB ARG 33 9.451 8.426 7.891
230 HB3 ARG 33 3HB ARG 33 8.176 9.418 8.586
231 HG2 ARG 33 2HG ARG 33 7.408 7.682 9.951
232 HG3 ARG 33 3HG ARG 33 8.274 6.455 9.024
233 HD2 ARG 33 2HD ARG 33 9.708 8.640 10.503
234 HD3 ARG 33 3HD ARG 33 9.243 7.133 11.290
235 HE ARG 33 HE ARG 33 10.616 6.487 8.951
236 HH11 ARG 33 1HH1 ARG 33 11.223 8.019 12.018
237 HH12 ARG 33 2HH1 ARG 33 12.892 7.558 12.066
238 HH21 ARG 33 1HH2 ARG 33 12.813 5.874 9.003
239 HH22 ARG 33 2HH2 ARG 33 13.796 6.338 10.351
240 H HIS 34 HN HIS 34 6.804 8.206 4.630
241 HA HIS 34 HA HIS 34 7.025 11.123 4.478
242 HB2 HIS 34 2HB HIS 34 6.925 8.952 2.391
243 HB3 HIS 34 3HB HIS 34 6.706 10.648 1.973
244 HD2 HIS 34 2HD HIS 34 9.332 10.587 4.630
245 HE1 HIS 34 1HE HIS 34 11.437 10.198 0.968
246 HE2 HIS 34 2HE HIS 34 11.633 10.577 3.450
247 H ARG 35 HN ARG 35 4.723 8.508 4.254
248 HA ARG 35 HA ARG 35 2.438 8.584 4.506
249 HB2 ARG 35 2HB ARG 35 3.141 11.111 5.342
250 HB3 ARG 35 3HB ARG 35 2.055 11.442 4.000
251 HG2 ARG 35 2HG ARG 35 1.287 9.510 6.151
252 HG3 ARG 35 3HG ARG 35 1.077 11.249 6.367
253 HD2 ARG 35 2HD ARG 35 -0.091 11.099 4.034
254 HD3 ARG 35 3HD ARG 35 -0.268 9.395 4.452
255 HE ARG 35 HE ARG 35 -1.698 11.612 5.580
256 HH11 ARG 35 1HH1 ARG 35 -0.566 8.369 6.144
257 HH12 ARG 35 2HH1 ARG 35 -1.778 8.012 7.328
258 HH21 ARG 35 1HH2 ARG 35 -3.299 11.154 7.138
259 HH22 ARG 35 2HH2 ARG 35 -3.333 9.597 7.893
260 H ASN 36 HN ASN 36 4.230 9.919 1.947
261 HA ASN 36 HA ASN 36 2.300 10.597 0.072
262 HB2 ASN 36 2HB ASN 36 5.130 9.870 0.037
263 HB3 ASN 36 3HB ASN 36 4.286 9.389 -1.433
264 HD21 ASN 36 1HD2 ASN 36 5.924 11.835 0.052
265 HD22 ASN 36 2HD2 ASN 36 5.382 13.163 -0.910
266 H CYS 37 HN CYS 37 1.639 9.377 -1.866
267 HA CYS 37 HA CYS 37 1.345 6.494 -1.351
268 HB2 CYS 37 2HB CYS 37 -0.794 7.218 -0.794
269 HB3 CYS 37 3HB CYS 37 -0.772 8.519 -1.979
270 HA PRO 38 HA PRO 38 2.821 6.019 -5.472
271 HB2 PRO 38 2HB PRO 38 1.886 3.519 -5.970
272 HB3 PRO 38 3HB PRO 38 3.258 3.837 -4.900
273 HG2 PRO 38 2HG PRO 38 0.394 3.309 -4.203
274 HG3 PRO 38 3HG PRO 38 1.866 2.677 -3.442
275 HD2 PRO 38 2HD PRO 38 0.447 4.729 -2.389
276 HD3 PRO 38 3HD PRO 38 2.209 4.600 -2.218
277 H ILE 39 HN ILE 39 -0.498 4.787 -4.991
278 HA ILE 39 HA ILE 39 -1.299 5.114 -7.673
279 HB ILE 39 HB ILE 39 -3.096 5.151 -5.248
280 HG12 ILE 39 2HG1 ILE 39 -1.422 3.197 -5.470
281 HG13 ILE 39 3HG1 ILE 39 -3.124 2.806 -5.244
282 HG21 ILE 39 1HG2 ILE 39 -3.543 4.637 -8.170
283 HG22 ILE 39 2HG2 ILE 39 -4.660 4.044 -6.941
284 HG23 ILE 39 3HG2 ILE 39 -4.371 5.776 -7.108
285 HD11 ILE 39 1HD1 ILE 39 -3.362 2.011 -7.373
286 HD12 ILE 39 2HD1 ILE 39 -2.047 3.001 -8.010
287 HD13 ILE 39 3HD1 ILE 39 -1.687 1.573 -7.040
288 H CYS 40 HN CYS 40 -0.576 7.424 -5.385
289 HA CYS 40 HA CYS 40 -2.523 9.382 -6.317
290 HB2 CYS 40 2HB CYS 40 -0.530 9.263 -4.095
291 HB3 CYS 40 3HB CYS 40 -1.047 10.842 -4.676
292 H ARG 41 HN ARG 41 0.058 8.181 -7.704
293 HA ARG 41 HA ARG 41 1.269 10.736 -8.486
294 HB2 ARG 41 2HB ARG 41 2.245 7.997 -8.217
295 HB3 ARG 41 3HB ARG 41 2.706 8.738 -9.745
296 HG2 ARG 41 2HG ARG 41 3.822 10.522 -8.637
297 HG3 ARG 41 3HG ARG 41 3.173 10.029 -7.071
298 HD2 ARG 41 2HD ARG 41 4.450 7.761 -8.015
299 HD3 ARG 41 3HD ARG 41 5.514 9.079 -8.498
300 HE ARG 41 HE ARG 41 4.878 9.571 -5.870
301 HH11 ARG 41 1HH1 ARG 41 6.378 6.987 -7.657
302 HH12 ARG 41 2HH1 ARG 41 7.386 6.485 -6.339
303 HH21 ARG 41 1HH2 ARG 41 6.199 8.920 -4.128
304 HH22 ARG 41 2HH2 ARG 41 7.281 7.585 -4.332
305 H LEU 42 HN LEU 42 -1.295 9.127 -9.415
306 HA LEU 42 HA LEU 42 -1.206 10.116 -12.103
307 HB2 LEU 42 2HB LEU 42 -1.233 8.160 -13.322
308 HB3 LEU 42 3HB LEU 42 -0.032 7.817 -12.080
309 HG LEU 42 HG LEU 42 -2.148 6.773 -10.859
310 HD11 LEU 42 1HD1 LEU 42 -3.160 7.391 -13.427
311 HD12 LEU 42 2HD1 LEU 42 -3.956 6.525 -12.113
312 HD13 LEU 42 3HD1 LEU 42 -3.021 5.636 -13.314
313 HD21 LEU 42 1HD2 LEU 42 0.074 5.758 -11.751
314 HD22 LEU 42 2HD2 LEU 42 -0.940 5.161 -13.066
315 HD23 LEU 42 3HD2 LEU 42 -1.293 4.699 -11.400
Start of MODEL 16
1 H1 GLU 1 HN GLU 1 -14.858 -4.635 5.576
2 HA GLU 1 HA GLU 1 -12.618 -6.335 5.124
3 HB2 GLU 1 2HB GLU 1 -15.174 -6.535 3.567
4 HB3 GLU 1 3HB GLU 1 -14.118 -7.823 4.131
5 HG2 GLU 1 2HG GLU 1 -14.963 -6.594 6.457
6 HG3 GLU 1 3HG GLU 1 -16.391 -6.588 5.424
7 H GLU 2 HN GLU 2 -11.318 -4.534 4.128
8 HA GLU 2 HA GLU 2 -11.887 -4.280 1.251
9 HB2 GLU 2 2HB GLU 2 -11.525 -2.249 2.957
10 HB3 GLU 2 3HB GLU 2 -9.842 -2.556 2.548
11 HG2 GLU 2 2HG GLU 2 -10.075 -1.435 0.663
12 HG3 GLU 2 3HG GLU 2 -11.351 -2.534 0.143
13 H GLU 3 HN GLU 3 -9.687 -3.839 0.023
14 HA GLU 3 HA GLU 3 -7.667 -5.763 0.942
15 HB2 GLU 3 2HB GLU 3 -8.500 -5.606 -1.945
16 HB3 GLU 3 3HB GLU 3 -7.541 -6.848 -1.151
17 HG2 GLU 3 2HG GLU 3 -9.760 -7.165 0.245
18 HG3 GLU 3 3HG GLU 3 -10.480 -6.457 -1.200
19 H CYS 4 HN CYS 4 -5.555 -5.456 0.027
20 HA CYS 4 HA CYS 4 -4.668 -2.834 0.003
21 HB2 CYS 4 2HB CYS 4 -3.245 -4.863 0.335
22 HB3 CYS 4 3HB CYS 4 -3.331 -5.156 -1.399
23 H CYS 5 HN CYS 5 -3.560 -1.690 -1.806
24 HA CYS 5 HA CYS 5 -5.163 -1.915 -4.265
25 HB2 CYS 5 2HB CYS 5 -3.829 0.495 -3.020
26 HB3 CYS 5 3HB CYS 5 -4.594 0.501 -4.604
27 HG CYS 5 HG CYS 5 -7.037 0.792 -3.812
28 H ILE 6 HN ILE 6 -2.672 -3.357 -3.594
29 HA ILE 6 HA ILE 6 -1.240 -2.721 -6.039
30 HB ILE 6 HB ILE 6 0.131 -2.700 -3.348
31 HG12 ILE 6 2HG1 ILE 6 -0.007 -0.593 -5.515
32 HG13 ILE 6 3HG1 ILE 6 -0.978 -0.585 -4.047
33 HG21 ILE 6 1HG2 ILE 6 2.219 -2.585 -4.472
34 HG22 ILE 6 2HG2 ILE 6 1.350 -3.961 -5.148
35 HG23 ILE 6 3HG2 ILE 6 1.439 -2.446 -6.047
36 HD11 ILE 6 1HD1 ILE 6 1.073 0.886 -4.067
37 HD12 ILE 6 2HD1 ILE 6 0.900 -0.203 -2.690
38 HD13 ILE 6 3HD1 ILE 6 2.020 -0.600 -3.993
39 H CYS 7 HN CYS 7 -0.605 -4.631 -3.092
40 HA CYS 7 HA CYS 7 0.436 -6.855 -4.435
41 HB2 CYS 7 2HB CYS 7 -0.998 -7.058 -1.796
42 HB3 CYS 7 3HB CYS 7 0.402 -7.966 -2.356
43 H MET 8 HN MET 8 -2.857 -6.077 -3.438
44 HA MET 8 HA MET 8 -4.871 -6.922 -4.073
45 HB2 MET 8 2HB MET 8 -3.398 -8.535 -6.154
46 HB3 MET 8 3HB MET 8 -5.082 -8.028 -6.180
47 HG2 MET 8 2HG MET 8 -3.353 -5.745 -5.960
48 HG3 MET 8 3HG MET 8 -2.891 -6.743 -7.337
49 HE1 MET 8 1HE MET 8 -4.048 -3.709 -8.063
50 HE2 MET 8 2HE MET 8 -3.257 -5.021 -8.938
51 HE3 MET 8 3HE MET 8 -4.805 -4.393 -9.502
52 H ASP 9 HN ASP 9 -2.647 -8.507 -2.483
53 HA ASP 9 HA ASP 9 -4.402 -10.727 -1.871
54 HB2 ASP 9 2HB ASP 9 -2.667 -11.317 -3.784
55 HB3 ASP 9 3HB ASP 9 -1.570 -11.500 -2.419
56 H GLY 10 HN GLY 10 -4.083 -8.792 -0.164
57 HA2 GLY 10 1HA GLY 10 -2.737 -10.013 2.046
58 HA3 GLY 10 2HA GLY 10 -1.885 -8.587 1.473
59 H ARG 11 HN ARG 11 -5.320 -8.673 1.147
60 HA ARG 11 HA ARG 11 -6.957 -7.358 2.029
61 HB2 ARG 11 2HB ARG 11 -5.404 -7.933 4.559
62 HB3 ARG 11 3HB ARG 11 -7.018 -7.235 4.514
63 HG2 ARG 11 2HG ARG 11 -6.138 -10.015 4.061
64 HG3 ARG 11 3HG ARG 11 -7.602 -9.394 4.827
65 HD2 ARG 11 2HD ARG 11 -8.383 -8.715 2.535
66 HD3 ARG 11 3HD ARG 11 -7.011 -9.609 1.882
67 HE ARG 11 HE ARG 11 -8.186 -11.532 2.215
68 HH11 ARG 11 1HH1 ARG 11 -9.502 -9.058 4.283
69 HH12 ARG 11 2HH1 ARG 11 -10.802 -10.047 4.857
70 HH21 ARG 11 1HH2 ARG 11 -9.895 -12.844 2.964
71 HH22 ARG 11 2HH2 ARG 11 -11.025 -12.201 4.106
72 H ALA 12 HN ALA 12 -7.143 -5.437 3.892
73 HA ALA 12 HA ALA 12 -5.015 -3.505 3.246
74 HB1 ALA 12 1HB ALA 12 -6.979 -3.073 1.841
75 HB2 ALA 12 2HB ALA 12 -7.972 -2.911 3.290
76 HB3 ALA 12 3HB ALA 12 -6.678 -1.755 2.974
77 H ASP 13 HN ASP 13 -4.004 -3.248 5.144
78 HA ASP 13 HA ASP 13 -5.469 -3.254 7.641
79 HB2 ASP 13 2HB ASP 13 -3.481 -4.211 8.150
80 HB3 ASP 13 3HB ASP 13 -2.647 -3.418 6.816
81 H LEU 14 HN LEU 14 -4.214 -0.951 5.398
82 HA LEU 14 HA LEU 14 -4.969 1.219 7.241
83 HB2 LEU 14 2HB LEU 14 -2.490 0.764 5.805
84 HB3 LEU 14 3HB LEU 14 -3.196 2.334 5.428
85 HG LEU 14 HG LEU 14 -2.914 3.126 7.581
86 HD11 LEU 14 1HD1 LEU 14 -2.200 1.327 9.398
87 HD12 LEU 14 2HD1 LEU 14 -3.141 0.271 8.345
88 HD13 LEU 14 3HD1 LEU 14 -3.890 1.701 9.055
89 HD21 LEU 14 1HD2 LEU 14 -0.635 2.697 8.198
90 HD22 LEU 14 2HD2 LEU 14 -0.750 2.696 6.438
91 HD23 LEU 14 3HD2 LEU 14 -0.636 1.170 7.315
92 H ILE 15 HN ILE 15 -5.488 3.282 6.052
93 HA ILE 15 HA ILE 15 -6.447 2.955 3.334
94 HB ILE 15 HB ILE 15 -8.370 3.640 5.560
95 HG12 ILE 15 2HG1 ILE 15 -8.287 1.230 3.732
96 HG13 ILE 15 3HG1 ILE 15 -7.810 1.230 5.426
97 HG21 ILE 15 1HG2 ILE 15 -9.339 4.816 3.906
98 HG22 ILE 15 2HG2 ILE 15 -8.452 3.965 2.641
99 HG23 ILE 15 3HG2 ILE 15 -9.888 3.232 3.358
100 HD11 ILE 15 1HD1 ILE 15 -10.336 2.267 5.530
101 HD12 ILE 15 2HD1 ILE 15 -10.454 1.085 4.225
102 HD13 ILE 15 3HD1 ILE 15 -9.899 0.584 5.822
103 H LEU 16 HN LEU 16 -5.294 4.642 2.563
104 HA LEU 16 HA LEU 16 -4.701 7.026 3.855
105 HB2 LEU 16 2HB LEU 16 -4.982 6.356 0.940
106 HB3 LEU 16 3HB LEU 16 -4.467 7.946 1.495
107 HG LEU 16 HG LEU 16 -3.024 5.322 1.765
108 HD11 LEU 16 1HD1 LEU 16 -1.468 6.200 0.340
109 HD12 LEU 16 2HD1 LEU 16 -1.834 7.866 0.785
110 HD13 LEU 16 3HD1 LEU 16 -2.927 6.977 -0.275
111 HD21 LEU 16 1HD2 LEU 16 -2.657 6.213 3.880
112 HD22 LEU 16 2HD2 LEU 16 -2.662 7.875 3.290
113 HD23 LEU 16 3HD2 LEU 16 -1.289 6.821 2.949
114 HA PRO 17 HA PRO 17 -8.358 9.453 3.860
115 HB2 PRO 17 2HB PRO 17 -7.352 11.944 3.469
116 HB3 PRO 17 3HB PRO 17 -7.156 11.056 4.985
117 HG2 PRO 17 2HG PRO 17 -5.228 11.386 2.720
118 HG3 PRO 17 3HG PRO 17 -4.927 11.468 4.465
119 HD2 PRO 17 2HD PRO 17 -4.357 9.269 2.992
120 HD3 PRO 17 3HD PRO 17 -4.864 9.175 4.690
121 H CYS 18 HN CYS 18 -6.653 8.869 1.088
122 HA CYS 18 HA CYS 18 -8.424 10.541 -0.566
123 HB2 CYS 18 2HB CYS 18 -6.789 10.250 -2.367
124 HB3 CYS 18 3HB CYS 18 -6.025 10.929 -0.933
125 H ALA 19 HN ALA 19 -8.509 7.635 0.708
126 HA ALA 19 HA ALA 19 -9.830 5.825 0.210
127 HB1 ALA 19 1HB ALA 19 -10.747 7.654 -1.594
128 HB2 ALA 19 2HB ALA 19 -10.190 6.352 -2.647
129 HB3 ALA 19 3HB ALA 19 -11.384 6.021 -1.392
130 H HIS 20 HN HIS 20 -7.135 5.575 0.244
131 HA HIS 20 HA HIS 20 -6.695 3.524 -1.798
132 HB2 HIS 20 2HB HIS 20 -5.006 5.941 -1.314
133 HB3 HIS 20 3HB HIS 20 -4.212 4.432 -1.752
134 HD2 HIS 20 2HD HIS 20 -6.151 3.394 -4.119
135 HE1 HIS 20 1HE HIS 20 -5.543 7.230 -5.828
136 HE2 HIS 20 2HE HIS 20 -6.371 4.884 -6.222
137 H SER 21 HN SER 21 -6.427 1.710 -0.688
138 HA SER 21 HA SER 21 -5.353 1.757 2.004
139 HB2 SER 21 2HB SER 21 -5.705 -0.891 1.417
140 HB3 SER 21 3HB SER 21 -6.952 0.156 2.093
141 HG SER 21 HG SER 21 -7.864 -0.734 0.318
142 H PHE 22 HN PHE 22 -3.706 0.097 2.627
143 HA PHE 22 HA PHE 22 -1.881 -0.835 0.624
144 HB2 PHE 22 2HB PHE 22 -0.992 1.402 2.457
145 HB3 PHE 22 3HB PHE 22 0.063 0.479 1.392
146 HD1 PHE 22 1HD PHE 22 -2.458 3.096 1.599
147 HD2 PHE 22 2HD PHE 22 -0.024 0.788 -1.020
148 HE1 PHE 22 1HE PHE 22 -2.909 4.692 -0.219
149 HE2 PHE 22 2HE PHE 22 -0.469 2.380 -2.843
150 HZ PHE 22 HZ PHE 22 -1.912 4.335 -2.443
151 H CYS 23 HN CYS 23 -2.177 -2.829 1.603
152 HA CYS 23 HA CYS 23 -2.164 -3.500 4.251
153 HB2 CYS 23 2HB CYS 23 -1.723 -5.702 3.606
154 HB3 CYS 23 3HB CYS 23 -2.415 -4.994 2.150
155 H GLN 24 HN GLN 24 -0.368 -4.772 5.400
156 HA GLN 24 HA GLN 24 1.771 -2.999 5.913
157 HB2 GLN 24 2HB GLN 24 1.126 -5.798 6.787
158 HB3 GLN 24 3HB GLN 24 2.664 -5.061 7.214
159 HG2 GLN 24 2HG GLN 24 0.153 -3.573 7.782
160 HG3 GLN 24 3HG GLN 24 0.604 -4.924 8.820
161 HE21 GLN 24 1HE2 GLN 24 1.538 -1.767 7.656
162 HE22 GLN 24 2HE2 GLN 24 2.673 -1.425 8.913
163 H LYS 25 HN LYS 25 1.664 -6.174 4.317
164 HA LYS 25 HA LYS 25 4.201 -6.771 3.765
165 HB2 LYS 25 2HB LYS 25 1.781 -7.443 2.622
166 HB3 LYS 25 3HB LYS 25 2.673 -6.761 1.269
167 HG2 LYS 25 2HG LYS 25 4.484 -8.332 1.640
168 HG3 LYS 25 3HG LYS 25 3.645 -8.992 3.044
169 HD2 LYS 25 2HD LYS 25 2.059 -10.058 1.763
170 HD3 LYS 25 3HD LYS 25 2.232 -8.928 0.418
171 HE2 LYS 25 2HE LYS 25 3.129 -11.131 -0.144
172 HE3 LYS 25 3HE LYS 25 4.396 -9.904 -0.136
173 HZ1 LYS 25 1HZ LYS 25 4.394 -12.289 1.236
174 HZ2 LYS 25 2HZ LYS 25 4.129 -11.111 2.421
175 HZ3 LYS 25 3HZ LYS 25 5.490 -11.013 1.422
176 H CYS 26 HN CYS 26 2.408 -4.638 1.533
177 HA CYS 26 HA CYS 26 4.733 -3.739 0.198
178 HB2 CYS 26 2HB CYS 26 3.189 -1.946 -0.693
179 HB3 CYS 26 3HB CYS 26 2.658 -3.602 -0.966
180 H ILE 27 HN ILE 27 2.713 -2.264 2.718
181 HA ILE 27 HA ILE 27 4.017 0.183 2.922
182 HB ILE 27 HB ILE 27 2.208 -1.375 4.605
183 HG12 ILE 27 2HG1 ILE 27 2.577 1.606 4.242
184 HG13 ILE 27 3HG1 ILE 27 1.594 0.585 3.198
185 HG21 ILE 27 1HG2 ILE 27 4.027 -1.188 6.205
186 HG22 ILE 27 2HG2 ILE 27 4.119 0.550 5.924
187 HG23 ILE 27 3HG2 ILE 27 2.684 -0.147 6.677
188 HD11 ILE 27 1HD1 ILE 27 -0.115 1.009 4.535
189 HD12 ILE 27 2HD1 ILE 27 0.700 0.072 5.789
190 HD13 ILE 27 3HD1 ILE 27 0.932 1.819 5.701
191 H ASP 28 HN ASP 28 5.108 -2.940 3.782
192 HA ASP 28 HA ASP 28 7.209 -1.858 5.519
193 HB2 ASP 28 2HB ASP 28 5.692 -4.256 5.567
194 HB3 ASP 28 3HB ASP 28 7.365 -4.706 5.245
195 H LYS 29 HN LYS 29 6.662 -3.422 2.449
196 HA LYS 29 HA LYS 29 9.452 -3.931 1.947
197 HB2 LYS 29 2HB LYS 29 7.974 -5.445 0.899
198 HB3 LYS 29 3HB LYS 29 6.952 -4.150 0.287
199 HG2 LYS 29 2HG LYS 29 8.320 -3.711 -1.480
200 HG3 LYS 29 3HG LYS 29 9.772 -4.251 -0.634
201 HD2 LYS 29 2HD LYS 29 8.341 -6.561 -0.778
202 HD3 LYS 29 3HD LYS 29 7.869 -5.765 -2.281
203 HE2 LYS 29 2HE LYS 29 10.669 -5.448 -1.973
204 HE3 LYS 29 3HE LYS 29 10.286 -7.142 -1.668
205 HZ1 LYS 29 1HZ LYS 29 10.261 -5.686 -4.131
206 HZ2 LYS 29 2HZ LYS 29 8.809 -6.513 -3.868
207 HZ3 LYS 29 3HZ LYS 29 10.275 -7.358 -3.867
208 H TRP 30 HN TRP 30 7.223 -2.152 -0.159
209 HA TRP 30 HA TRP 30 8.954 -0.628 -1.542
210 HB2 TRP 30 2HB TRP 30 6.234 0.080 -0.462
211 HB3 TRP 30 3HB TRP 30 7.135 1.205 -1.475
212 HD1 TRP 30 1HD TRP 30 6.232 -2.573 -1.768
213 HE1 TRP 30 1HE TRP 30 5.440 -3.003 -4.179
214 HE3 TRP 30 3HE TRP 30 6.733 2.157 -3.640
215 HZ2 TRP 30 2HZ TRP 30 5.078 -1.531 -6.561
216 HZ3 TRP 30 3HZ TRP 30 6.143 2.563 -5.995
217 HH2 TRP 30 2HH TRP 30 5.333 0.755 -7.423
218 H SER 31 HN SER 31 7.283 0.915 1.194
219 HA SER 31 HA SER 31 7.940 2.746 2.427
220 HB2 SER 31 2HB SER 31 10.347 0.983 2.919
221 HB3 SER 31 3HB SER 31 9.662 2.186 4.013
222 HG SER 31 HG SER 31 8.334 -0.161 3.123
223 H ASP 32 HN ASP 32 8.277 4.045 0.457
224 HA ASP 32 HA ASP 32 11.084 4.501 -0.235
225 HB2 ASP 32 2HB ASP 32 8.769 5.913 -1.526
226 HB3 ASP 32 3HB ASP 32 10.346 5.519 -2.205
227 H ARG 33 HN ARG 33 11.507 5.471 1.874
228 HA ARG 33 HA ARG 33 12.093 7.364 3.022
229 HB2 ARG 33 2HB ARG 33 11.412 8.374 0.494
230 HB3 ARG 33 3HB ARG 33 10.522 9.361 1.647
231 HG2 ARG 33 2HG ARG 33 12.723 9.650 2.875
232 HG3 ARG 33 3HG ARG 33 13.489 8.958 1.443
233 HD2 ARG 33 2HD ARG 33 12.177 10.754 0.143
234 HD3 ARG 33 3HD ARG 33 11.967 11.527 1.714
235 HE ARG 33 HE ARG 33 14.361 11.434 0.141
236 HH11 ARG 33 1HH1 ARG 33 13.093 11.691 3.374
237 HH12 ARG 33 2HH1 ARG 33 14.488 12.507 3.997
238 HH21 ARG 33 1HH2 ARG 33 16.203 12.509 0.949
239 HH22 ARG 33 2HH2 ARG 33 16.257 12.972 2.616
240 H HIS 34 HN HIS 34 8.768 7.840 1.812
241 HA HIS 34 HA HIS 34 7.832 7.808 4.595
242 HB2 HIS 34 2HB HIS 34 7.431 9.953 2.548
243 HB3 HIS 34 3HB HIS 34 6.151 9.635 3.715
244 HD2 HIS 34 2HD HIS 34 8.249 9.175 6.302
245 HE1 HIS 34 1HE HIS 34 9.265 13.209 5.474
246 HE2 HIS 34 2HE HIS 34 9.423 11.323 7.136
247 H ARG 35 HN ARG 35 5.247 7.947 4.452
248 HA ARG 35 HA ARG 35 4.496 5.663 2.794
249 HB2 ARG 35 2HB ARG 35 2.306 6.080 4.284
250 HB3 ARG 35 3HB ARG 35 3.681 5.143 4.850
251 HG2 ARG 35 2HG ARG 35 2.879 6.735 6.529
252 HG3 ARG 35 3HG ARG 35 4.543 7.061 6.042
253 HD2 ARG 35 2HD ARG 35 4.005 9.113 5.378
254 HD3 ARG 35 3HD ARG 35 2.714 8.491 4.351
255 HE ARG 35 HE ARG 35 1.270 9.329 5.890
256 HH11 ARG 35 1HH1 ARG 35 4.198 8.418 7.538
257 HH12 ARG 35 2HH1 ARG 35 3.626 8.906 9.098
258 HH21 ARG 35 1HH2 ARG 35 0.505 9.974 7.939
259 HH22 ARG 35 2HH2 ARG 35 1.525 9.789 9.327
260 H ASN 36 HN ASN 36 4.836 7.848 1.244
261 HA ASN 36 HA ASN 36 2.546 9.470 0.910
262 HB2 ASN 36 2HB ASN 36 4.953 8.832 -0.746
263 HB3 ASN 36 3HB ASN 36 3.596 9.658 -1.508
264 HD21 ASN 36 1HD2 ASN 36 6.468 10.224 -0.245
265 HD22 ASN 36 2HD2 ASN 36 6.229 11.793 0.440
266 H CYS 37 HN CYS 37 1.542 9.448 -1.477
267 HA CYS 37 HA CYS 37 0.401 6.755 -1.808
268 HB2 CYS 37 2HB CYS 37 -1.092 8.737 -1.157
269 HB3 CYS 37 3HB CYS 37 -0.840 9.315 -2.801
270 HA PRO 38 HA PRO 38 2.912 7.391 -5.617
271 HB2 PRO 38 2HB PRO 38 3.639 4.784 -5.828
272 HB3 PRO 38 3HB PRO 38 4.511 5.945 -4.821
273 HG2 PRO 38 2HG PRO 38 2.465 3.912 -4.024
274 HG3 PRO 38 3HG PRO 38 3.989 4.339 -3.224
275 HD2 PRO 38 2HD PRO 38 1.588 5.261 -2.375
276 HD3 PRO 38 3HD PRO 38 3.083 6.207 -2.220
277 H ILE 39 HN ILE 39 0.002 6.060 -4.849
278 HA ILE 39 HA ILE 39 -0.419 4.709 -7.402
279 HB ILE 39 HB ILE 39 -2.334 5.066 -5.094
280 HG12 ILE 39 2HG1 ILE 39 -0.168 3.663 -4.780
281 HG13 ILE 39 3HG1 ILE 39 -1.710 2.964 -4.299
282 HG21 ILE 39 1HG2 ILE 39 -3.619 4.692 -7.027
283 HG22 ILE 39 2HG2 ILE 39 -2.478 3.506 -7.656
284 HG23 ILE 39 3HG2 ILE 39 -3.478 3.113 -6.257
285 HD11 ILE 39 1HD1 ILE 39 -0.247 1.393 -5.509
286 HD12 ILE 39 2HD1 ILE 39 -1.797 1.656 -6.309
287 HD13 ILE 39 3HD1 ILE 39 -0.342 2.440 -6.925
288 H CYS 40 HN CYS 40 -1.124 7.692 -5.788
289 HA CYS 40 HA CYS 40 -3.208 8.471 -7.631
290 HB2 CYS 40 2HB CYS 40 -1.853 9.740 -5.284
291 HB3 CYS 40 3HB CYS 40 -2.740 10.760 -6.411
292 H ARG 41 HN ARG 41 0.231 8.887 -7.290
293 HA ARG 41 HA ARG 41 0.728 11.117 -8.828
294 HB2 ARG 41 2HB ARG 41 2.319 8.548 -8.756
295 HB3 ARG 41 3HB ARG 41 2.911 10.091 -9.355
296 HG2 ARG 41 2HG ARG 41 2.518 11.042 -7.085
297 HG3 ARG 41 3HG ARG 41 2.137 9.410 -6.531
298 HD2 ARG 41 2HD ARG 41 4.323 8.649 -6.928
299 HD3 ARG 41 3HD ARG 41 4.717 10.048 -7.927
300 HE ARG 41 HE ARG 41 4.087 10.644 -5.169
301 HH11 ARG 41 1HH1 ARG 41 6.571 9.913 -7.497
302 HH12 ARG 41 2HH1 ARG 41 7.844 10.616 -6.553
303 HH21 ARG 41 1HH2 ARG 41 5.755 11.571 -3.918
304 HH22 ARG 41 2HH2 ARG 41 7.379 11.557 -4.517
305 H LEU 42 HN LEU 42 -0.653 8.163 -9.807
306 HA LEU 42 HA LEU 42 0.160 7.923 -12.455
307 HB2 LEU 42 2HB LEU 42 -2.364 7.215 -11.011
308 HB3 LEU 42 3HB LEU 42 -2.232 6.969 -12.751
309 HG LEU 42 HG LEU 42 -0.349 5.745 -10.742
310 HD11 LEU 42 1HD1 LEU 42 -1.588 3.715 -10.916
311 HD12 LEU 42 2HD1 LEU 42 -2.671 4.413 -12.120
312 HD13 LEU 42 3HD1 LEU 42 -2.712 4.993 -10.455
313 HD21 LEU 42 1HD2 LEU 42 -0.216 4.163 -12.870
314 HD22 LEU 42 2HD2 LEU 42 0.799 5.595 -12.699
315 HD23 LEU 42 3HD2 LEU 42 -0.658 5.660 -13.690
Start of MODEL 17
1 H1 GLU 1 HN GLU 1 -15.076 -7.029 4.573
2 HA GLU 1 HA GLU 1 -12.961 -5.707 5.029
3 HB2 GLU 1 2HB GLU 1 -11.536 -7.584 5.019
4 HB3 GLU 1 3HB GLU 1 -13.152 -8.239 5.245
5 HG2 GLU 1 2HG GLU 1 -13.187 -8.616 2.736
6 HG3 GLU 1 3HG GLU 1 -11.456 -8.284 2.773
7 H GLU 2 HN GLU 2 -11.684 -4.279 4.072
8 HA GLU 2 HA GLU 2 -11.615 -4.029 1.217
9 HB2 GLU 2 2HB GLU 2 -10.046 -2.136 1.696
10 HB3 GLU 2 3HB GLU 2 -11.602 -2.012 2.506
11 HG2 GLU 2 2HG GLU 2 -9.918 -3.381 4.276
12 HG3 GLU 2 3HG GLU 2 -8.967 -2.048 3.625
13 H GLU 3 HN GLU 3 -9.703 -4.039 -0.094
14 HA GLU 3 HA GLU 3 -7.525 -5.708 0.976
15 HB2 GLU 3 2HB GLU 3 -8.612 -5.899 -1.836
16 HB3 GLU 3 3HB GLU 3 -7.401 -6.933 -1.090
17 HG2 GLU 3 2HG GLU 3 -8.930 -8.197 -0.042
18 HG3 GLU 3 3HG GLU 3 -9.986 -6.828 0.301
19 H CYS 4 HN CYS 4 -5.494 -5.528 -0.259
20 HA CYS 4 HA CYS 4 -4.758 -2.826 -0.616
21 HB2 CYS 4 2HB CYS 4 -3.252 -4.752 0.072
22 HB3 CYS 4 3HB CYS 4 -3.216 -5.215 -1.625
23 H CYS 5 HN CYS 5 -3.928 -1.809 -2.538
24 HA CYS 5 HA CYS 5 -5.497 -2.531 -4.893
25 HB2 CYS 5 2HB CYS 5 -5.737 -0.243 -4.307
26 HB3 CYS 5 3HB CYS 5 -4.003 -0.038 -4.090
27 HG CYS 5 HG CYS 5 -5.615 -0.465 -7.078
28 H ILE 6 HN ILE 6 -2.295 -2.686 -3.708
29 HA ILE 6 HA ILE 6 -1.222 -3.102 -6.414
30 HB ILE 6 HB ILE 6 0.289 -2.675 -3.834
31 HG12 ILE 6 2HG1 ILE 6 0.295 -0.711 -6.079
32 HG13 ILE 6 3HG1 ILE 6 -1.115 -0.758 -5.026
33 HG21 ILE 6 1HG2 ILE 6 1.556 -4.006 -5.405
34 HG22 ILE 6 2HG2 ILE 6 1.234 -2.845 -6.692
35 HG23 ILE 6 3HG2 ILE 6 2.238 -2.382 -5.318
36 HD11 ILE 6 1HD1 ILE 6 0.103 -0.092 -3.167
37 HD12 ILE 6 2HD1 ILE 6 1.645 -0.542 -3.897
38 HD13 ILE 6 3HD1 ILE 6 0.776 0.878 -4.477
39 H CYS 7 HN CYS 7 -1.711 -4.611 -3.298
40 HA CYS 7 HA CYS 7 -0.742 -7.149 -4.437
41 HB2 CYS 7 2HB CYS 7 -0.698 -6.924 -1.501
42 HB3 CYS 7 3HB CYS 7 0.487 -7.629 -2.597
43 H MET 8 HN MET 8 -3.300 -6.564 -4.887
44 HA MET 8 HA MET 8 -5.237 -7.053 -3.001
45 HB2 MET 8 2HB MET 8 -5.166 -6.801 -5.763
46 HB3 MET 8 3HB MET 8 -5.834 -8.408 -5.509
47 HG2 MET 8 2HG MET 8 -7.615 -7.529 -4.181
48 HG3 MET 8 3HG MET 8 -6.893 -5.922 -4.192
49 HE1 MET 8 1HE MET 8 -9.045 -8.418 -5.546
50 HE2 MET 8 2HE MET 8 -9.850 -7.699 -6.940
51 HE3 MET 8 3HE MET 8 -8.346 -8.596 -7.155
52 H ASP 9 HN ASP 9 -4.603 -8.594 -1.493
53 HA ASP 9 HA ASP 9 -5.489 -11.192 -1.837
54 HB2 ASP 9 2HB ASP 9 -3.734 -11.691 -3.346
55 HB3 ASP 9 3HB ASP 9 -2.541 -10.855 -2.358
56 H GLY 10 HN GLY 10 -2.864 -9.352 -0.299
57 HA2 GLY 10 1HA GLY 10 -3.129 -10.836 2.171
58 HA3 GLY 10 2HA GLY 10 -2.047 -9.484 1.874
59 H ARG 11 HN ARG 11 -5.290 -8.935 0.978
60 HA ARG 11 HA ARG 11 -6.879 -7.510 1.768
61 HB2 ARG 11 2HB ARG 11 -5.945 -8.855 4.290
62 HB3 ARG 11 3HB ARG 11 -7.199 -7.622 4.329
63 HG2 ARG 11 2HG ARG 11 -8.514 -9.456 4.154
64 HG3 ARG 11 3HG ARG 11 -8.239 -9.159 2.436
65 HD2 ARG 11 2HD ARG 11 -6.593 -10.848 2.308
66 HD3 ARG 11 3HD ARG 11 -6.473 -10.967 4.063
67 HE ARG 11 HE ARG 11 -9.054 -11.635 3.539
68 HH11 ARG 11 1HH1 ARG 11 -5.969 -12.770 2.394
69 HH12 ARG 11 2HH1 ARG 11 -6.520 -14.390 2.119
70 HH21 ARG 11 1HH2 ARG 11 -9.793 -13.763 3.179
71 HH22 ARG 11 2HH2 ARG 11 -8.696 -14.953 2.565
72 H ALA 12 HN ALA 12 -7.269 -5.518 3.030
73 HA ALA 12 HA ALA 12 -4.787 -3.974 3.233
74 HB1 ALA 12 1HB ALA 12 -6.949 -2.232 3.507
75 HB2 ALA 12 2HB ALA 12 -5.960 -2.490 2.069
76 HB3 ALA 12 3HB ALA 12 -7.449 -3.408 2.291
77 H ASP 13 HN ASP 13 -4.153 -2.946 5.072
78 HA ASP 13 HA ASP 13 -5.819 -3.359 7.468
79 HB2 ASP 13 2HB ASP 13 -3.492 -4.618 7.111
80 HB3 ASP 13 3HB ASP 13 -2.867 -3.100 7.752
81 H LEU 14 HN LEU 14 -4.760 -1.089 5.393
82 HA LEU 14 HA LEU 14 -5.107 1.029 7.351
83 HB2 LEU 14 2HB LEU 14 -2.537 0.280 6.329
84 HB3 LEU 14 3HB LEU 14 -2.952 1.895 5.758
85 HG LEU 14 HG LEU 14 -3.550 1.910 8.488
86 HD11 LEU 14 1HD1 LEU 14 -1.680 1.063 9.624
87 HD12 LEU 14 2HD1 LEU 14 -0.783 0.799 8.129
88 HD13 LEU 14 3HD1 LEU 14 -2.165 -0.224 8.520
89 HD21 LEU 14 1HD2 LEU 14 -1.504 3.087 6.686
90 HD22 LEU 14 2HD2 LEU 14 -1.255 3.235 8.426
91 HD23 LEU 14 3HD2 LEU 14 -2.724 3.876 7.686
92 H ILE 15 HN ILE 15 -6.047 2.829 6.509
93 HA ILE 15 HA ILE 15 -6.516 2.831 3.598
94 HB ILE 15 HB ILE 15 -8.343 3.994 5.701
95 HG12 ILE 15 2HG1 ILE 15 -9.747 1.942 4.636
96 HG13 ILE 15 3HG1 ILE 15 -8.121 1.272 4.551
97 HG21 ILE 15 1HG2 ILE 15 -9.885 3.653 3.542
98 HG22 ILE 15 2HG2 ILE 15 -8.978 5.133 3.851
99 HG23 ILE 15 3HG2 ILE 15 -8.333 3.920 2.747
100 HD11 ILE 15 1HD1 ILE 15 -9.625 2.174 6.986
101 HD12 ILE 15 2HD1 ILE 15 -9.041 0.556 6.595
102 HD13 ILE 15 3HD1 ILE 15 -7.895 1.835 6.994
103 H LEU 16 HN LEU 16 -5.204 4.313 2.736
104 HA LEU 16 HA LEU 16 -4.172 6.560 4.073
105 HB2 LEU 16 2HB LEU 16 -4.385 5.795 1.183
106 HB3 LEU 16 3HB LEU 16 -3.714 7.352 1.666
107 HG LEU 16 HG LEU 16 -2.615 4.604 2.210
108 HD11 LEU 16 1HD1 LEU 16 -0.848 5.211 0.859
109 HD12 LEU 16 2HD1 LEU 16 -1.138 6.937 1.071
110 HD13 LEU 16 3HD1 LEU 16 -2.208 5.982 0.044
111 HD21 LEU 16 1HD2 LEU 16 -2.298 5.671 4.272
112 HD22 LEU 16 2HD2 LEU 16 -1.960 7.228 3.515
113 HD23 LEU 16 3HD2 LEU 16 -0.783 5.919 3.403
114 HA PRO 17 HA PRO 17 -7.310 9.615 3.809
115 HB2 PRO 17 2HB PRO 17 -5.855 11.865 3.368
116 HB3 PRO 17 3HB PRO 17 -5.880 11.026 4.923
117 HG2 PRO 17 2HG PRO 17 -3.840 10.899 2.736
118 HG3 PRO 17 3HG PRO 17 -3.596 11.006 4.488
119 HD2 PRO 17 2HD PRO 17 -3.380 8.675 3.127
120 HD3 PRO 17 3HD PRO 17 -3.959 8.751 4.804
121 H CYS 18 HN CYS 18 -5.683 8.574 1.144
122 HA CYS 18 HA CYS 18 -6.967 10.508 -0.661
123 HB2 CYS 18 2HB CYS 18 -5.433 9.672 -2.388
124 HB3 CYS 18 3HB CYS 18 -4.551 10.253 -0.979
125 H ALA 19 HN ALA 19 -7.759 7.755 0.764
126 HA ALA 19 HA ALA 19 -9.450 6.267 0.344
127 HB1 ALA 19 1HB ALA 19 -9.665 7.104 -2.511
128 HB2 ALA 19 2HB ALA 19 -10.927 6.597 -1.388
129 HB3 ALA 19 3HB ALA 19 -10.210 8.202 -1.242
130 H HIS 20 HN HIS 20 -6.663 5.689 -0.002
131 HA HIS 20 HA HIS 20 -6.895 3.426 -1.861
132 HB2 HIS 20 2HB HIS 20 -4.561 5.328 -1.608
133 HB3 HIS 20 3HB HIS 20 -4.455 3.766 -2.416
134 HD2 HIS 20 2HD HIS 20 -7.439 4.179 -3.989
135 HE1 HIS 20 1HE HIS 20 -5.327 7.360 -5.838
136 HE2 HIS 20 2HE HIS 20 -7.379 5.901 -5.918
137 H SER 21 HN SER 21 -6.616 1.580 -0.817
138 HA SER 21 HA SER 21 -5.473 1.546 1.835
139 HB2 SER 21 2HB SER 21 -6.433 -0.545 2.078
140 HB3 SER 21 3HB SER 21 -7.496 0.159 0.859
141 HG SER 21 HG SER 21 -6.091 -0.882 -0.717
142 H PHE 22 HN PHE 22 -3.819 -0.037 2.459
143 HA PHE 22 HA PHE 22 -2.076 -1.108 0.446
144 HB2 PHE 22 2HB PHE 22 -1.132 1.218 2.134
145 HB3 PHE 22 3HB PHE 22 -0.079 0.194 1.164
146 HD1 PHE 22 1HD PHE 22 -2.667 2.783 1.084
147 HD2 PHE 22 2HD PHE 22 -0.009 0.395 -1.229
148 HE1 PHE 22 1HE PHE 22 -3.060 4.237 -0.862
149 HE2 PHE 22 2HE PHE 22 -0.397 1.845 -3.178
150 HZ PHE 22 HZ PHE 22 -1.923 3.769 -2.996
151 H CYS 23 HN CYS 23 -1.955 -3.071 1.352
152 HA CYS 23 HA CYS 23 -2.058 -3.687 4.060
153 HB2 CYS 23 2HB CYS 23 -1.225 -5.888 3.449
154 HB3 CYS 23 3HB CYS 23 -2.375 -5.331 2.236
155 H GLN 24 HN GLN 24 -0.366 -4.550 5.458
156 HA GLN 24 HA GLN 24 1.743 -2.778 5.838
157 HB2 GLN 24 2HB GLN 24 1.819 -5.633 6.787
158 HB3 GLN 24 3HB GLN 24 2.480 -4.203 7.571
159 HG2 GLN 24 2HG GLN 24 -0.409 -4.984 7.306
160 HG3 GLN 24 3HG GLN 24 0.551 -4.867 8.779
161 HE21 GLN 24 1HE2 GLN 24 -1.026 -3.067 6.236
162 HE22 GLN 24 2HE2 GLN 24 -1.089 -1.559 7.075
163 H LYS 25 HN LYS 25 1.616 -5.817 4.078
164 HA LYS 25 HA LYS 25 4.224 -6.473 3.703
165 HB2 LYS 25 2HB LYS 25 2.271 -6.382 1.405
166 HB3 LYS 25 3HB LYS 25 3.610 -7.498 1.637
167 HG2 LYS 25 2HG LYS 25 2.313 -8.196 3.778
168 HG3 LYS 25 3HG LYS 25 0.938 -7.448 2.964
169 HD2 LYS 25 2HD LYS 25 1.518 -8.894 0.962
170 HD3 LYS 25 3HD LYS 25 2.613 -9.770 2.034
171 HE2 LYS 25 2HE LYS 25 -0.082 -9.391 3.116
172 HE3 LYS 25 3HE LYS 25 -0.028 -10.359 1.643
173 HZ1 LYS 25 1HZ LYS 25 0.498 -12.044 2.973
174 HZ2 LYS 25 2HZ LYS 25 0.815 -11.034 4.292
175 HZ3 LYS 25 3HZ LYS 25 2.023 -11.332 3.147
176 H CYS 26 HN CYS 26 2.532 -4.491 1.270
177 HA CYS 26 HA CYS 26 4.914 -3.521 0.111
178 HB2 CYS 26 2HB CYS 26 3.377 -1.840 -0.982
179 HB3 CYS 26 3HB CYS 26 2.935 -3.527 -1.221
180 H ILE 27 HN ILE 27 2.585 -1.980 2.317
181 HA ILE 27 HA ILE 27 3.622 0.523 2.565
182 HB ILE 27 HB ILE 27 1.846 -1.042 4.060
183 HG12 ILE 27 2HG1 ILE 27 2.652 1.842 4.500
184 HG13 ILE 27 3HG1 ILE 27 1.554 1.287 3.240
185 HG21 ILE 27 1HG2 ILE 27 3.889 0.223 5.880
186 HG22 ILE 27 2HG2 ILE 27 2.411 -0.604 6.366
187 HG23 ILE 27 3HG2 ILE 27 3.718 -1.510 5.603
188 HD11 ILE 27 1HD1 ILE 27 1.113 1.611 6.139
189 HD12 ILE 27 2HD1 ILE 27 0.019 1.880 4.781
190 HD13 ILE 27 3HD1 ILE 27 0.323 0.241 5.360
191 H ASP 28 HN ASP 28 5.024 -2.446 3.702
192 HA ASP 28 HA ASP 28 6.941 -1.188 5.440
193 HB2 ASP 28 2HB ASP 28 5.967 -3.680 5.372
194 HB3 ASP 28 3HB ASP 28 7.415 -3.934 4.402
195 H LYS 29 HN LYS 29 6.940 -2.520 2.168
196 HA LYS 29 HA LYS 29 9.709 -2.257 1.691
197 HB2 LYS 29 2HB LYS 29 7.327 -2.918 0.161
198 HB3 LYS 29 3HB LYS 29 8.456 -1.953 -0.781
199 HG2 LYS 29 2HG LYS 29 10.183 -3.551 -0.518
200 HG3 LYS 29 3HG LYS 29 9.271 -4.431 0.711
201 HD2 LYS 29 2HD LYS 29 8.629 -5.757 -0.976
202 HD3 LYS 29 3HD LYS 29 7.544 -4.436 -1.416
203 HE2 LYS 29 2HE LYS 29 10.370 -4.544 -2.417
204 HE3 LYS 29 3HE LYS 29 9.073 -5.414 -3.235
205 HZ1 LYS 29 1HZ LYS 29 8.586 -2.607 -2.628
206 HZ2 LYS 29 2HZ LYS 29 8.149 -3.512 -3.988
207 HZ3 LYS 29 3HZ LYS 29 9.728 -2.928 -3.834
208 H TRP 30 HN TRP 30 7.121 -0.297 0.214
209 HA TRP 30 HA TRP 30 8.963 1.854 -0.299
210 HB2 TRP 30 2HB TRP 30 7.063 2.971 -1.339
211 HB3 TRP 30 3HB TRP 30 7.144 1.295 -1.875
212 HD1 TRP 30 1HD TRP 30 5.121 -0.277 -1.285
213 HE1 TRP 30 1HE TRP 30 2.795 0.143 -0.266
214 HE3 TRP 30 3HE TRP 30 5.836 4.486 0.427
215 HZ2 TRP 30 2HZ TRP 30 1.442 2.221 1.084
216 HZ3 TRP 30 3HZ TRP 30 3.975 5.620 1.572
217 HH2 TRP 30 2HH TRP 30 1.824 4.509 1.892
218 H SER 31 HN SER 31 9.117 3.800 0.722
219 HA SER 31 HA SER 31 7.238 4.799 2.584
220 HB2 SER 31 2HB SER 31 9.578 3.255 3.673
221 HB3 SER 31 3HB SER 31 8.877 4.590 4.587
222 HG SER 31 HG SER 31 7.259 3.355 5.089
223 H ASP 32 HN ASP 32 8.039 6.753 3.702
224 HA ASP 32 HA ASP 32 10.557 7.886 3.031
225 HB2 ASP 32 2HB ASP 32 8.592 8.116 1.031
226 HB3 ASP 32 3HB ASP 32 8.670 9.694 1.808
227 H ARG 33 HN ARG 33 10.137 10.530 3.277
228 HA ARG 33 HA ARG 33 9.463 10.793 6.038
229 HB2 ARG 33 2HB ARG 33 10.875 12.307 4.087
230 HB3 ARG 33 3HB ARG 33 9.634 13.347 4.773
231 HG2 ARG 33 2HG ARG 33 11.169 13.761 6.344
232 HG3 ARG 33 3HG ARG 33 10.655 12.210 7.012
233 HD2 ARG 33 2HD ARG 33 12.480 11.076 6.078
234 HD3 ARG 33 3HD ARG 33 12.830 12.389 4.953
235 HE ARG 33 HE ARG 33 13.122 13.370 7.552
236 HH11 ARG 33 1HH1 ARG 33 14.625 11.073 5.410
237 HH12 ARG 33 2HH1 ARG 33 16.198 11.245 6.118
238 HH21 ARG 33 1HH2 ARG 33 15.188 13.605 8.492
239 HH22 ARG 33 2HH2 ARG 33 16.516 12.685 7.871
240 H HIS 34 HN HIS 34 7.609 10.776 3.250
241 HA HIS 34 HA HIS 34 5.381 12.055 4.676
242 HB2 HIS 34 2HB HIS 34 6.506 12.775 2.037
243 HB3 HIS 34 3HB HIS 34 4.751 12.670 2.115
244 HD2 HIS 34 2HD HIS 34 5.467 13.943 5.454
245 HE1 HIS 34 1HE HIS 34 5.572 17.422 3.030
246 HE2 HIS 34 2HE HIS 34 5.525 16.528 5.383
247 H ARG 35 HN ARG 35 3.314 11.641 3.086
248 HA ARG 35 HA ARG 35 3.284 8.723 2.697
249 HB2 ARG 35 2HB ARG 35 1.313 10.653 3.791
250 HB3 ARG 35 3HB ARG 35 0.669 9.330 2.827
251 HG2 ARG 35 2HG ARG 35 0.839 7.960 4.552
252 HG3 ARG 35 3HG ARG 35 2.573 8.273 4.659
253 HD2 ARG 35 2HD ARG 35 2.280 10.016 6.189
254 HD3 ARG 35 3HD ARG 35 0.571 10.192 5.797
255 HE ARG 35 HE ARG 35 0.090 8.548 7.314
256 HH11 ARG 35 1HH1 ARG 35 3.495 8.476 6.593
257 HH12 ARG 35 2HH1 ARG 35 3.866 7.319 7.828
258 HH21 ARG 35 1HH2 ARG 35 0.565 7.024 8.944
259 HH22 ARG 35 2HH2 ARG 35 2.198 6.493 9.164
260 H ASN 36 HN ASN 36 4.316 10.046 0.607
261 HA ASN 36 HA ASN 36 2.401 10.933 -1.298
262 HB2 ASN 36 2HB ASN 36 5.220 9.934 -1.760
263 HB3 ASN 36 3HB ASN 36 4.253 10.869 -2.897
264 HD21 ASN 36 1HD2 ASN 36 5.504 12.648 -3.030
265 HD22 ASN 36 2HD2 ASN 36 5.833 13.705 -1.704
266 H CYS 37 HN CYS 37 0.868 9.155 -1.112
267 HA CYS 37 HA CYS 37 1.260 6.504 -1.620
268 HB2 CYS 37 2HB CYS 37 -0.937 7.014 -1.115
269 HB3 CYS 37 3HB CYS 37 -0.990 8.373 -2.232
270 HA PRO 38 HA PRO 38 2.818 6.131 -5.719
271 HB2 PRO 38 2HB PRO 38 2.023 3.591 -6.258
272 HB3 PRO 38 3HB PRO 38 3.354 3.968 -5.158
273 HG2 PRO 38 2HG PRO 38 0.508 3.289 -4.525
274 HG3 PRO 38 3HG PRO 38 1.994 2.725 -3.739
275 HD2 PRO 38 2HD PRO 38 0.451 4.692 -2.698
276 HD3 PRO 38 3HD PRO 38 2.214 4.651 -2.491
277 H ILE 39 HN ILE 39 -0.443 4.731 -5.316
278 HA ILE 39 HA ILE 39 -1.268 4.882 -7.956
279 HB ILE 39 HB ILE 39 -3.042 5.320 -5.553
280 HG12 ILE 39 2HG1 ILE 39 -1.694 3.302 -5.257
281 HG13 ILE 39 3HG1 ILE 39 -3.370 2.875 -5.585
282 HG21 ILE 39 1HG2 ILE 39 -4.711 5.395 -7.010
283 HG22 ILE 39 2HG2 ILE 39 -3.566 5.241 -8.342
284 HG23 ILE 39 3HG2 ILE 39 -4.263 3.797 -7.609
285 HD11 ILE 39 1HD1 ILE 39 -2.160 2.943 -8.081
286 HD12 ILE 39 2HD1 ILE 39 -0.978 2.174 -7.021
287 HD13 ILE 39 3HD1 ILE 39 -2.607 1.514 -7.151
288 H CYS 40 HN CYS 40 -1.059 7.391 -5.541
289 HA CYS 40 HA CYS 40 -2.628 9.295 -7.015
290 HB2 CYS 40 2HB CYS 40 -0.848 9.506 -4.590
291 HB3 CYS 40 3HB CYS 40 -1.618 10.914 -5.313
292 H ARG 41 HN ARG 41 0.671 8.291 -6.957
293 HA ARG 41 HA ARG 41 1.754 10.675 -8.127
294 HB2 ARG 41 2HB ARG 41 3.485 9.620 -7.116
295 HB3 ARG 41 3HB ARG 41 2.760 8.029 -7.309
296 HG2 ARG 41 2HG ARG 41 3.582 7.810 -9.508
297 HG3 ARG 41 3HG ARG 41 4.013 9.519 -9.594
298 HD2 ARG 41 2HD ARG 41 5.739 9.199 -7.922
299 HD3 ARG 41 3HD ARG 41 5.269 7.511 -7.728
300 HE ARG 41 HE ARG 41 5.863 7.612 -10.335
301 HH11 ARG 41 1HH1 ARG 41 7.566 8.780 -7.531
302 HH12 ARG 41 2HH1 ARG 41 9.135 8.577 -8.239
303 HH21 ARG 41 1HH2 ARG 41 7.923 7.340 -11.276
304 HH22 ARG 41 2HH2 ARG 41 9.337 7.760 -10.370
305 H LEU 42 HN LEU 42 0.131 7.893 -9.304
306 HA LEU 42 HA LEU 42 1.199 7.744 -11.905
307 HB2 LEU 42 2HB LEU 42 -1.007 6.607 -10.433
308 HB3 LEU 42 3HB LEU 42 -1.491 7.009 -12.080
309 HG LEU 42 HG LEU 42 0.965 5.372 -11.524
310 HD11 LEU 42 1HD1 LEU 42 -0.187 3.499 -11.128
311 HD12 LEU 42 2HD1 LEU 42 -1.435 3.902 -12.308
312 HD13 LEU 42 3HD1 LEU 42 -1.509 4.578 -10.680
313 HD21 LEU 42 1HD2 LEU 42 0.128 4.472 -13.824
314 HD22 LEU 42 2HD2 LEU 42 0.998 6.003 -13.739
315 HD23 LEU 42 3HD2 LEU 42 -0.760 5.995 -13.880
Start of MODEL 18
1 H1 GLU 1 HN GLU 1 -14.443 -5.245 6.194
2 HA GLU 1 HA GLU 1 -12.412 -6.779 5.420
3 HB2 GLU 1 2HB GLU 1 -13.999 -7.882 3.744
4 HB3 GLU 1 3HB GLU 1 -14.535 -7.787 5.416
5 HG2 GLU 1 2HG GLU 1 -15.606 -5.521 4.522
6 HG3 GLU 1 3HG GLU 1 -15.572 -6.423 3.007
7 H GLU 2 HN GLU 2 -11.452 -4.405 4.553
8 HA GLU 2 HA GLU 2 -11.660 -4.239 1.670
9 HB2 GLU 2 2HB GLU 2 -10.226 -2.661 3.779
10 HB3 GLU 2 3HB GLU 2 -9.788 -2.474 2.088
11 HG2 GLU 2 2HG GLU 2 -11.321 -0.804 2.312
12 HG3 GLU 2 3HG GLU 2 -12.359 -2.122 1.772
13 H GLU 3 HN GLU 3 -9.668 -4.185 0.329
14 HA GLU 3 HA GLU 3 -7.559 -5.966 1.332
15 HB2 GLU 3 2HB GLU 3 -8.936 -6.243 -1.347
16 HB3 GLU 3 3HB GLU 3 -7.556 -7.187 -0.805
17 HG2 GLU 3 2HG GLU 3 -9.078 -7.869 1.159
18 HG3 GLU 3 3HG GLU 3 -10.390 -7.283 0.138
19 H CYS 4 HN CYS 4 -5.516 -5.593 0.524
20 HA CYS 4 HA CYS 4 -4.691 -3.088 -0.088
21 HB2 CYS 4 2HB CYS 4 -3.259 -5.131 0.395
22 HB3 CYS 4 3HB CYS 4 -3.389 -5.517 -1.317
23 H CYS 5 HN CYS 5 -4.090 -1.957 -1.981
24 HA CYS 5 HA CYS 5 -5.795 -2.587 -4.269
25 HB2 CYS 5 2HB CYS 5 -5.974 -0.330 -3.376
26 HB3 CYS 5 3HB CYS 5 -4.242 -0.087 -3.571
27 HG CYS 5 HG CYS 5 -5.521 -0.946 -6.468
28 H ILE 6 HN ILE 6 -2.413 -2.047 -3.437
29 HA ILE 6 HA ILE 6 -1.427 -2.218 -6.100
30 HB ILE 6 HB ILE 6 -0.097 -2.480 -3.414
31 HG12 ILE 6 2HG1 ILE 6 0.021 -0.407 -5.614
32 HG13 ILE 6 3HG1 ILE 6 -0.776 -0.233 -4.055
33 HG21 ILE 6 1HG2 ILE 6 1.474 -3.706 -4.447
34 HG22 ILE 6 2HG2 ILE 6 0.915 -3.248 -6.056
35 HG23 ILE 6 3HG2 ILE 6 1.971 -2.166 -5.148
36 HD11 ILE 6 1HD1 ILE 6 2.054 0.031 -4.773
37 HD12 ILE 6 2HD1 ILE 6 1.122 0.814 -3.496
38 HD13 ILE 6 3HD1 ILE 6 1.734 -0.823 -3.265
39 H CYS 7 HN CYS 7 -0.799 -4.489 -3.426
40 HA CYS 7 HA CYS 7 -0.363 -6.637 -5.308
41 HB2 CYS 7 2HB CYS 7 0.382 -7.917 -3.451
42 HB3 CYS 7 3HB CYS 7 0.970 -6.280 -3.178
43 H MET 8 HN MET 8 -2.878 -5.561 -3.149
44 HA MET 8 HA MET 8 -4.877 -6.522 -2.516
45 HB2 MET 8 2HB MET 8 -5.047 -5.558 -4.927
46 HB3 MET 8 3HB MET 8 -5.146 -7.244 -5.416
47 HG2 MET 8 2HG MET 8 -6.985 -7.133 -3.407
48 HG3 MET 8 3HG MET 8 -7.134 -5.535 -4.135
49 HE1 MET 8 1HE MET 8 -9.041 -5.699 -6.941
50 HE2 MET 8 2HE MET 8 -9.977 -6.303 -5.573
51 HE3 MET 8 3HE MET 8 -8.723 -5.089 -5.317
52 H ASP 9 HN ASP 9 -3.001 -8.341 -1.878
53 HA ASP 9 HA ASP 9 -4.297 -10.876 -2.607
54 HB2 ASP 9 2HB ASP 9 -1.822 -10.215 -3.548
55 HB3 ASP 9 3HB ASP 9 -1.408 -11.055 -2.056
56 H GLY 10 HN GLY 10 -5.188 -9.774 -0.423
57 HA2 GLY 10 1HA GLY 10 -4.770 -11.553 1.628
58 HA3 GLY 10 2HA GLY 10 -3.613 -10.261 1.918
59 H ARG 11 HN ARG 11 -4.297 -8.357 2.773
60 HA ARG 11 HA ARG 11 -7.132 -7.746 2.895
61 HB2 ARG 11 2HB ARG 11 -7.276 -7.649 5.282
62 HB3 ARG 11 3HB ARG 11 -6.665 -9.240 4.851
63 HG2 ARG 11 2HG ARG 11 -4.739 -7.059 5.506
64 HG3 ARG 11 3HG ARG 11 -5.590 -7.898 6.805
65 HD2 ARG 11 2HD ARG 11 -4.799 -10.055 5.706
66 HD3 ARG 11 3HD ARG 11 -3.716 -9.042 4.754
67 HE ARG 11 HE ARG 11 -3.442 -8.482 7.517
68 HH11 ARG 11 1HH1 ARG 11 -2.629 -10.845 5.093
69 HH12 ARG 11 2HH1 ARG 11 -1.211 -11.398 5.921
70 HH21 ARG 11 1HH2 ARG 11 -1.577 -9.201 8.617
71 HH22 ARG 11 2HH2 ARG 11 -0.614 -10.463 7.925
72 H ALA 12 HN ALA 12 -7.474 -5.618 4.090
73 HA ALA 12 HA ALA 12 -5.187 -3.830 3.568
74 HB1 ALA 12 1HB ALA 12 -8.122 -3.228 3.224
75 HB2 ALA 12 2HB ALA 12 -6.800 -2.087 2.973
76 HB3 ALA 12 3HB ALA 12 -6.957 -3.501 1.930
77 H ASP 13 HN ASP 13 -4.356 -3.427 5.535
78 HA ASP 13 HA ASP 13 -6.139 -2.933 7.792
79 HB2 ASP 13 2HB ASP 13 -3.963 -4.382 7.819
80 HB3 ASP 13 3HB ASP 13 -3.147 -2.828 7.965
81 H LEU 14 HN LEU 14 -4.191 -1.236 5.523
82 HA LEU 14 HA LEU 14 -4.611 1.259 7.036
83 HB2 LEU 14 2HB LEU 14 -2.206 0.134 6.057
84 HB3 LEU 14 3HB LEU 14 -2.555 1.559 5.080
85 HG LEU 14 HG LEU 14 -1.144 2.284 6.824
86 HD11 LEU 14 1HD1 LEU 14 -3.809 2.991 7.976
87 HD12 LEU 14 2HD1 LEU 14 -3.367 3.541 6.360
88 HD13 LEU 14 3HD1 LEU 14 -2.380 4.000 7.748
89 HD21 LEU 14 1HD2 LEU 14 -2.404 0.204 8.301
90 HD22 LEU 14 2HD2 LEU 14 -2.567 1.711 9.203
91 HD23 LEU 14 3HD2 LEU 14 -0.970 1.142 8.716
92 H ILE 15 HN ILE 15 -5.892 2.693 6.089
93 HA ILE 15 HA ILE 15 -6.268 2.527 3.169
94 HB ILE 15 HB ILE 15 -8.355 3.407 5.165
95 HG12 ILE 15 2HG1 ILE 15 -9.314 1.115 4.024
96 HG13 ILE 15 3HG1 ILE 15 -7.598 0.744 4.162
97 HG21 ILE 15 1HG2 ILE 15 -9.376 2.558 2.637
98 HG22 ILE 15 2HG2 ILE 15 -9.503 4.136 3.413
99 HG23 ILE 15 3HG2 ILE 15 -8.121 3.770 2.381
100 HD11 ILE 15 1HD1 ILE 15 -9.620 1.198 6.286
101 HD12 ILE 15 2HD1 ILE 15 -8.353 -0.023 6.167
102 HD13 ILE 15 3HD1 ILE 15 -7.941 1.633 6.608
103 H LEU 16 HN LEU 16 -4.612 4.102 2.885
104 HA LEU 16 HA LEU 16 -4.227 6.509 4.041
105 HB2 LEU 16 2HB LEU 16 -4.178 5.809 1.117
106 HB3 LEU 16 3HB LEU 16 -3.640 7.371 1.730
107 HG LEU 16 HG LEU 16 -2.422 4.675 2.319
108 HD11 LEU 16 1HD1 LEU 16 -0.660 6.693 1.284
109 HD12 LEU 16 2HD1 LEU 16 -2.038 6.468 0.206
110 HD13 LEU 16 3HD1 LEU 16 -1.029 5.091 0.645
111 HD21 LEU 16 1HD2 LEU 16 -2.255 7.236 3.727
112 HD22 LEU 16 2HD2 LEU 16 -0.692 6.545 3.290
113 HD23 LEU 16 3HD2 LEU 16 -1.828 5.611 4.266
114 HA PRO 17 HA PRO 17 -7.752 9.078 3.547
115 HB2 PRO 17 2HB PRO 17 -6.599 11.519 3.265
116 HB3 PRO 17 3HB PRO 17 -6.640 10.648 4.802
117 HG2 PRO 17 2HG PRO 17 -4.421 10.864 2.804
118 HG3 PRO 17 3HG PRO 17 -4.347 10.961 4.573
119 HD2 PRO 17 2HD PRO 17 -3.683 8.719 3.209
120 HD3 PRO 17 3HD PRO 17 -4.411 8.672 4.828
121 H CYS 18 HN CYS 18 -5.768 8.341 1.026
122 HA CYS 18 HA CYS 18 -7.083 10.158 -0.867
123 HB2 CYS 18 2HB CYS 18 -5.359 9.569 -2.442
124 HB3 CYS 18 3HB CYS 18 -4.591 9.974 -0.910
125 H ALA 19 HN ALA 19 -7.599 7.209 0.449
126 HA ALA 19 HA ALA 19 -9.149 5.603 -0.084
127 HB1 ALA 19 1HB ALA 19 -10.016 7.574 -1.628
128 HB2 ALA 19 2HB ALA 19 -9.438 6.496 -2.900
129 HB3 ALA 19 3HB ALA 19 -10.659 5.935 -1.757
130 H HIS 20 HN HIS 20 -6.562 4.937 -0.114
131 HA HIS 20 HA HIS 20 -6.455 2.930 -2.221
132 HB2 HIS 20 2HB HIS 20 -4.406 5.089 -1.824
133 HB3 HIS 20 3HB HIS 20 -3.934 3.519 -2.467
134 HD2 HIS 20 2HD HIS 20 -6.760 3.315 -4.376
135 HE1 HIS 20 1HE HIS 20 -4.923 6.620 -6.300
136 HE2 HIS 20 2HE HIS 20 -6.721 4.862 -6.449
137 H SER 21 HN SER 21 -6.500 1.173 -0.955
138 HA SER 21 HA SER 21 -5.381 1.010 1.631
139 HB2 SER 21 2HB SER 21 -5.709 -1.490 1.299
140 HB3 SER 21 3HB SER 21 -7.150 -0.496 1.095
141 HG SER 21 HG SER 21 -5.689 -0.878 -1.206
142 H PHE 22 HN PHE 22 -3.611 -0.317 2.350
143 HA PHE 22 HA PHE 22 -1.643 -1.216 0.455
144 HB2 PHE 22 2HB PHE 22 -1.018 1.150 2.233
145 HB3 PHE 22 3HB PHE 22 0.163 0.264 1.274
146 HD1 PHE 22 1HD PHE 22 -2.145 2.960 1.326
147 HD2 PHE 22 2HD PHE 22 -0.209 0.191 -1.262
148 HE1 PHE 22 1HE PHE 22 -2.602 4.437 -0.588
149 HE2 PHE 22 2HE PHE 22 -0.661 1.664 -3.181
150 HZ PHE 22 HZ PHE 22 -1.859 3.790 -2.845
151 H CYS 23 HN CYS 23 -1.981 -3.180 1.554
152 HA CYS 23 HA CYS 23 -1.988 -3.746 4.207
153 HB2 CYS 23 2HB CYS 23 -1.210 -5.946 3.682
154 HB3 CYS 23 3HB CYS 23 -2.164 -5.393 2.310
155 H GLN 24 HN GLN 24 -0.521 -4.039 5.850
156 HA GLN 24 HA GLN 24 1.532 -2.402 6.290
157 HB2 GLN 24 2HB GLN 24 0.953 -3.800 8.076
158 HB3 GLN 24 3HB GLN 24 1.193 -5.263 7.131
159 HG2 GLN 24 2HG GLN 24 2.964 -5.115 8.703
160 HG3 GLN 24 3HG GLN 24 3.632 -4.767 7.109
161 HE21 GLN 24 1HE2 GLN 24 5.063 -3.205 7.151
162 HE22 GLN 24 2HE2 GLN 24 5.030 -1.810 8.171
163 H LYS 25 HN LYS 25 2.107 -5.681 5.003
164 HA LYS 25 HA LYS 25 4.744 -5.659 4.501
165 HB2 LYS 25 2HB LYS 25 2.647 -6.586 2.529
166 HB3 LYS 25 3HB LYS 25 4.335 -7.080 2.533
167 HG2 LYS 25 2HG LYS 25 2.441 -7.573 4.818
168 HG3 LYS 25 3HG LYS 25 2.759 -8.733 3.526
169 HD2 LYS 25 2HD LYS 25 5.090 -8.841 4.136
170 HD3 LYS 25 3HD LYS 25 4.872 -7.563 5.334
171 HE2 LYS 25 2HE LYS 25 4.864 -9.541 6.583
172 HE3 LYS 25 3HE LYS 25 3.160 -9.120 6.419
173 HZ1 LYS 25 1HZ LYS 25 4.142 -10.803 4.304
174 HZ2 LYS 25 2HZ LYS 25 2.749 -10.958 5.249
175 HZ3 LYS 25 3HZ LYS 25 4.231 -11.528 5.830
176 H CYS 26 HN CYS 26 2.422 -4.528 2.036
177 HA CYS 26 HA CYS 26 4.266 -3.430 0.284
178 HB2 CYS 26 2HB CYS 26 1.388 -2.759 0.862
179 HB3 CYS 26 3HB CYS 26 2.300 -1.894 -0.371
180 H ILE 27 HN ILE 27 2.579 -1.869 2.989
181 HA ILE 27 HA ILE 27 3.512 0.721 2.656
182 HB ILE 27 HB ILE 27 2.202 -0.752 4.729
183 HG12 ILE 27 2HG1 ILE 27 2.532 2.238 4.579
184 HG13 ILE 27 3HG1 ILE 27 1.540 1.361 3.419
185 HG21 ILE 27 1HG2 ILE 27 3.096 0.429 6.693
186 HG22 ILE 27 2HG2 ILE 27 4.287 -0.642 5.959
187 HG23 ILE 27 3HG2 ILE 27 4.382 1.098 5.688
188 HD11 ILE 27 1HD1 ILE 27 -0.041 0.805 4.997
189 HD12 ILE 27 2HD1 ILE 27 1.083 0.998 6.343
190 HD13 ILE 27 3HD1 ILE 27 0.450 2.419 5.512
191 H ASP 28 HN ASP 28 5.142 -2.097 3.892
192 HA ASP 28 HA ASP 28 7.399 -0.523 4.856
193 HB2 ASP 28 2HB ASP 28 6.573 -2.481 6.158
194 HB3 ASP 28 3HB ASP 28 7.044 -3.528 4.820
195 H LYS 29 HN LYS 29 6.496 -2.596 2.195
196 HA LYS 29 HA LYS 29 9.162 -2.862 1.160
197 HB2 LYS 29 2HB LYS 29 6.500 -3.848 0.498
198 HB3 LYS 29 3HB LYS 29 7.419 -3.400 -0.932
199 HG2 LYS 29 2HG LYS 29 8.638 -5.243 -0.801
200 HG3 LYS 29 3HG LYS 29 9.064 -4.908 0.878
201 HD2 LYS 29 2HD LYS 29 6.512 -5.732 1.182
202 HD3 LYS 29 3HD LYS 29 6.979 -6.671 -0.238
203 HE2 LYS 29 2HE LYS 29 8.795 -7.676 0.925
204 HE3 LYS 29 3HE LYS 29 8.620 -6.566 2.285
205 HZ1 LYS 29 1HZ LYS 29 6.808 -7.678 3.081
206 HZ2 LYS 29 2HZ LYS 29 7.659 -8.971 2.399
207 HZ3 LYS 29 3HZ LYS 29 6.354 -8.286 1.569
208 H TRP 30 HN TRP 30 6.255 -1.256 -0.148
209 HA TRP 30 HA TRP 30 7.834 0.323 -1.958
210 HB2 TRP 30 2HB TRP 30 4.899 0.563 -1.265
211 HB3 TRP 30 3HB TRP 30 5.706 1.302 -2.645
212 HD1 TRP 30 1HD TRP 30 4.161 -1.946 -1.481
213 HE1 TRP 30 1HE TRP 30 4.156 -3.630 -3.427
214 HE3 TRP 30 3HE TRP 30 7.104 0.619 -4.783
215 HZ2 TRP 30 2HZ TRP 30 5.254 -3.844 -6.018
216 HZ3 TRP 30 3HZ TRP 30 7.579 -0.396 -6.973
217 HH2 TRP 30 2HH TRP 30 6.673 -2.582 -7.576
218 H SER 31 HN SER 31 9.142 1.181 -0.079
219 HA SER 31 HA SER 31 7.873 3.234 1.515
220 HB2 SER 31 2HB SER 31 9.649 1.860 2.502
221 HB3 SER 31 3HB SER 31 10.786 2.437 1.283
222 HG SER 31 HG SER 31 10.725 3.520 3.447
223 H ASP 32 HN ASP 32 8.573 5.455 1.531
224 HA ASP 32 HA ASP 32 10.107 6.482 -0.675
225 HB2 ASP 32 2HB ASP 32 7.872 8.020 -1.068
226 HB3 ASP 32 3HB ASP 32 8.356 6.665 -2.084
227 H ARG 33 HN ARG 33 10.449 8.796 -0.528
228 HA ARG 33 HA ARG 33 10.917 9.671 2.087
229 HB2 ARG 33 2HB ARG 33 12.002 11.380 1.098
230 HB3 ARG 33 3HB ARG 33 11.697 10.497 -0.392
231 HG2 ARG 33 2HG ARG 33 10.916 12.535 -1.007
232 HG3 ARG 33 3HG ARG 33 9.437 11.868 -0.314
233 HD2 ARG 33 2HD ARG 33 11.065 14.113 0.563
234 HD3 ARG 33 3HD ARG 33 9.392 13.708 0.952
235 HE ARG 33 HE ARG 33 10.720 11.956 2.461
236 HH11 ARG 33 1HH1 ARG 33 11.189 15.372 1.977
237 HH12 ARG 33 2HH1 ARG 33 11.829 15.642 3.564
238 HH21 ARG 33 1HH2 ARG 33 11.562 12.299 4.554
239 HH22 ARG 33 2HH2 ARG 33 12.042 13.893 5.029
240 H HIS 34 HN HIS 34 8.136 9.988 0.025
241 HA HIS 34 HA HIS 34 6.842 11.696 2.046
242 HB2 HIS 34 2HB HIS 34 5.204 11.789 -0.168
243 HB3 HIS 34 3HB HIS 34 6.394 13.010 0.277
244 HD2 HIS 34 2HD HIS 34 6.442 9.731 -1.956
245 HE1 HIS 34 1HE HIS 34 9.015 12.656 -3.633
246 HE2 HIS 34 2HE HIS 34 7.971 10.384 -3.936
247 H ARG 35 HN ARG 35 5.141 10.918 3.128
248 HA ARG 35 HA ARG 35 4.367 8.181 2.756
249 HB2 ARG 35 2HB ARG 35 3.588 10.355 4.673
250 HB3 ARG 35 3HB ARG 35 2.665 8.861 4.603
251 HG2 ARG 35 2HG ARG 35 4.825 7.633 4.987
252 HG3 ARG 35 3HG ARG 35 5.564 9.202 5.314
253 HD2 ARG 35 2HD ARG 35 4.982 8.675 7.440
254 HD3 ARG 35 3HD ARG 35 3.452 9.391 6.933
255 HE ARG 35 HE ARG 35 3.463 6.627 6.358
256 HH11 ARG 35 1HH1 ARG 35 3.261 8.852 9.029
257 HH12 ARG 35 2HH1 ARG 35 2.343 7.773 10.026
258 HH21 ARG 35 1HH2 ARG 35 2.254 5.199 7.662
259 HH22 ARG 35 2HH2 ARG 35 1.771 5.696 9.248
260 H ASN 36 HN ASN 36 3.597 10.742 0.984
261 HA ASN 36 HA ASN 36 0.864 10.996 0.843
262 HB2 ASN 36 2HB ASN 36 3.034 11.177 -1.216
263 HB3 ASN 36 3HB ASN 36 1.351 11.304 -1.717
264 HD21 ASN 36 1HD2 ASN 36 3.288 12.515 1.001
265 HD22 ASN 36 2HD2 ASN 36 2.791 14.162 0.841
266 H CYS 37 HN CYS 37 2.208 9.371 -1.934
267 HA CYS 37 HA CYS 37 1.434 6.761 -1.556
268 HB2 CYS 37 2HB CYS 37 -0.818 7.177 -1.212
269 HB3 CYS 37 3HB CYS 37 -0.837 8.555 -2.308
270 HA PRO 38 HA PRO 38 3.341 6.607 -5.520
271 HB2 PRO 38 2HB PRO 38 2.718 4.053 -6.200
272 HB3 PRO 38 3HB PRO 38 3.937 4.453 -4.983
273 HG2 PRO 38 2HG PRO 38 1.085 3.620 -4.608
274 HG3 PRO 38 3HG PRO 38 2.529 3.099 -3.719
275 HD2 PRO 38 2HD PRO 38 0.812 4.955 -2.750
276 HD3 PRO 38 3HD PRO 38 2.551 4.989 -2.399
277 H ILE 39 HN ILE 39 0.060 5.229 -5.328
278 HA ILE 39 HA ILE 39 -0.564 5.317 -8.039
279 HB ILE 39 HB ILE 39 -2.670 5.924 -6.003
280 HG12 ILE 39 2HG1 ILE 39 -1.005 3.440 -6.198
281 HG13 ILE 39 3HG1 ILE 39 -1.584 4.281 -4.764
282 HG21 ILE 39 1HG2 ILE 39 -2.781 3.862 -8.166
283 HG22 ILE 39 2HG2 ILE 39 -4.092 4.781 -7.428
284 HG23 ILE 39 3HG2 ILE 39 -2.984 5.571 -8.550
285 HD11 ILE 39 1HD1 ILE 39 -3.923 3.536 -5.578
286 HD12 ILE 39 2HD1 ILE 39 -3.020 2.364 -6.540
287 HD13 ILE 39 3HD1 ILE 39 -2.865 2.371 -4.783
288 H CYS 40 HN CYS 40 -1.778 7.632 -5.610
289 HA CYS 40 HA CYS 40 -2.721 9.540 -7.371
290 HB2 CYS 40 2HB CYS 40 -1.495 10.046 -4.651
291 HB3 CYS 40 3HB CYS 40 -2.585 11.128 -5.513
292 H ARG 41 HN ARG 41 0.506 8.682 -6.727
293 HA ARG 41 HA ARG 41 1.674 11.220 -7.431
294 HB2 ARG 41 2HB ARG 41 2.629 8.592 -6.531
295 HB3 ARG 41 3HB ARG 41 3.695 9.387 -7.682
296 HG2 ARG 41 2HG ARG 41 3.651 11.404 -6.212
297 HG3 ARG 41 3HG ARG 41 2.766 10.444 -5.025
298 HD2 ARG 41 2HD ARG 41 4.625 9.427 -4.330
299 HD3 ARG 41 3HD ARG 41 5.134 9.075 -5.981
300 HE ARG 41 HE ARG 41 5.978 11.285 -4.332
301 HH11 ARG 41 1HH1 ARG 41 5.681 10.046 -7.572
302 HH12 ARG 41 2HH1 ARG 41 6.927 11.065 -8.214
303 HH21 ARG 41 1HH2 ARG 41 7.619 12.631 -5.167
304 HH22 ARG 41 2HH2 ARG 41 8.029 12.534 -6.845
305 H LEU 42 HN LEU 42 0.771 8.276 -9.059
306 HA LEU 42 HA LEU 42 2.283 8.781 -11.438
307 HB2 LEU 42 2HB LEU 42 -0.144 7.047 -11.397
308 HB3 LEU 42 3HB LEU 42 1.366 6.836 -12.280
309 HG LEU 42 HG LEU 42 0.823 6.265 -9.375
310 HD11 LEU 42 1HD1 LEU 42 2.162 4.320 -11.118
311 HD12 LEU 42 2HD1 LEU 42 0.491 4.686 -11.548
312 HD13 LEU 42 3HD1 LEU 42 0.876 4.092 -9.932
313 HD21 LEU 42 1HD2 LEU 42 3.261 5.553 -9.372
314 HD22 LEU 42 2HD2 LEU 42 2.941 7.286 -9.319
315 HD23 LEU 42 3HD2 LEU 42 3.439 6.527 -10.831
Start of MODEL 19
1 H1 GLU 1 HN GLU 1 -14.896 -3.211 3.746
2 HA GLU 1 HA GLU 1 -13.810 -5.931 3.467
3 HB2 GLU 1 2HB GLU 1 -16.367 -4.815 2.415
4 HB3 GLU 1 3HB GLU 1 -15.481 -5.949 1.405
5 HG2 GLU 1 2HG GLU 1 -15.494 -7.176 3.868
6 HG3 GLU 1 3HG GLU 1 -17.085 -6.421 3.776
7 H GLU 2 HN GLU 2 -12.131 -3.872 3.216
8 HA GLU 2 HA GLU 2 -11.950 -3.246 0.355
9 HB2 GLU 2 2HB GLU 2 -10.340 -2.091 2.637
10 HB3 GLU 2 3HB GLU 2 -10.370 -1.518 0.975
11 HG2 GLU 2 2HG GLU 2 -13.004 -1.609 2.219
12 HG3 GLU 2 3HG GLU 2 -11.871 -0.533 3.035
13 H GLU 3 HN GLU 3 -9.628 -3.155 -0.487
14 HA GLU 3 HA GLU 3 -7.937 -5.258 0.639
15 HB2 GLU 3 2HB GLU 3 -8.677 -5.208 -2.288
16 HB3 GLU 3 3HB GLU 3 -7.699 -6.411 -1.459
17 HG2 GLU 3 2HG GLU 3 -9.576 -7.254 -0.281
18 HG3 GLU 3 3HG GLU 3 -10.586 -5.905 -0.803
19 H CYS 4 HN CYS 4 -5.760 -5.289 -0.338
20 HA CYS 4 HA CYS 4 -4.606 -2.744 -0.378
21 HB2 CYS 4 2HB CYS 4 -3.430 -4.902 0.142
22 HB3 CYS 4 3HB CYS 4 -3.423 -5.252 -1.583
23 H CYS 5 HN CYS 5 -4.097 -1.325 -1.956
24 HA CYS 5 HA CYS 5 -5.279 -1.765 -4.570
25 HB2 CYS 5 2HB CYS 5 -5.012 0.460 -2.955
26 HB3 CYS 5 3HB CYS 5 -3.795 0.729 -4.198
27 HG CYS 5 HG CYS 5 -6.719 -0.238 -5.467
28 H ILE 6 HN ILE 6 -3.069 -3.416 -4.031
29 HA ILE 6 HA ILE 6 -1.378 -2.693 -6.267
30 HB ILE 6 HB ILE 6 -0.222 -3.059 -3.502
31 HG12 ILE 6 2HG1 ILE 6 -0.172 -0.766 -5.474
32 HG13 ILE 6 3HG1 ILE 6 -0.959 -0.791 -3.899
33 HG21 ILE 6 1HG2 ILE 6 1.244 -4.263 -4.848
34 HG22 ILE 6 2HG2 ILE 6 1.045 -3.166 -6.214
35 HG23 ILE 6 3HG2 ILE 6 1.967 -2.654 -4.800
36 HD11 ILE 6 1HD1 ILE 6 1.887 -0.420 -4.596
37 HD12 ILE 6 2HD1 ILE 6 0.915 0.331 -3.331
38 HD13 ILE 6 3HD1 ILE 6 1.528 -1.308 -3.116
39 H CYS 7 HN CYS 7 -0.725 -4.891 -3.569
40 HA CYS 7 HA CYS 7 -0.205 -7.085 -5.286
41 HB2 CYS 7 2HB CYS 7 -0.026 -8.403 -3.227
42 HB3 CYS 7 3HB CYS 7 0.836 -6.876 -3.075
43 H MET 8 HN MET 8 -2.981 -6.185 -3.285
44 HA MET 8 HA MET 8 -5.138 -6.902 -3.251
45 HB2 MET 8 2HB MET 8 -4.580 -8.027 -5.997
46 HB3 MET 8 3HB MET 8 -6.144 -7.577 -5.330
47 HG2 MET 8 2HG MET 8 -5.066 -5.216 -5.130
48 HG3 MET 8 3HG MET 8 -3.943 -5.840 -6.336
49 HE1 MET 8 1HE MET 8 -4.909 -5.242 -9.232
50 HE2 MET 8 2HE MET 8 -4.365 -6.682 -8.371
51 HE3 MET 8 3HE MET 8 -5.867 -6.722 -9.296
52 H ASP 9 HN ASP 9 -3.677 -8.486 -1.770
53 HA ASP 9 HA ASP 9 -5.024 -10.962 -1.810
54 HB2 ASP 9 2HB ASP 9 -3.122 -12.465 -2.255
55 HB3 ASP 9 3HB ASP 9 -3.513 -11.479 -3.661
56 H GLY 10 HN GLY 10 -4.224 -8.740 -0.047
57 HA2 GLY 10 1HA GLY 10 -3.348 -10.385 2.192
58 HA3 GLY 10 2HA GLY 10 -2.311 -9.029 1.778
59 H ARG 11 HN ARG 11 -5.712 -8.702 1.279
60 HA ARG 11 HA ARG 11 -7.270 -7.332 2.211
61 HB2 ARG 11 2HB ARG 11 -5.929 -8.647 4.480
62 HB3 ARG 11 3HB ARG 11 -6.788 -7.168 4.890
63 HG2 ARG 11 2HG ARG 11 -8.643 -8.368 5.003
64 HG3 ARG 11 3HG ARG 11 -8.538 -8.594 3.257
65 HD2 ARG 11 2HD ARG 11 -8.758 -10.722 4.492
66 HD3 ARG 11 3HD ARG 11 -7.270 -10.624 3.551
67 HE ARG 11 HE ARG 11 -6.443 -9.786 5.948
68 HH11 ARG 11 1HH1 ARG 11 -8.390 -12.518 5.016
69 HH12 ARG 11 2HH1 ARG 11 -7.860 -13.510 6.333
70 HH21 ARG 11 1HH2 ARG 11 -5.737 -11.084 7.686
71 HH22 ARG 11 2HH2 ARG 11 -6.351 -12.694 7.852
72 H ALA 12 HN ALA 12 -7.556 -5.307 3.618
73 HA ALA 12 HA ALA 12 -5.196 -3.584 3.235
74 HB1 ALA 12 1HB ALA 12 -6.806 -2.741 1.793
75 HB2 ALA 12 2HB ALA 12 -8.125 -3.050 2.922
76 HB3 ALA 12 3HB ALA 12 -6.993 -1.731 3.227
77 H ASP 13 HN ASP 13 -4.217 -3.128 5.089
78 HA ASP 13 HA ASP 13 -5.830 -2.917 7.537
79 HB2 ASP 13 2HB ASP 13 -3.893 -4.568 7.405
80 HB3 ASP 13 3HB ASP 13 -2.827 -3.164 7.395
81 H LEU 14 HN LEU 14 -4.184 -1.070 5.251
82 HA LEU 14 HA LEU 14 -4.255 1.258 7.043
83 HB2 LEU 14 2HB LEU 14 -1.923 0.090 6.142
84 HB3 LEU 14 3HB LEU 14 -2.182 1.411 5.004
85 HG LEU 14 HG LEU 14 -0.803 2.329 6.642
86 HD11 LEU 14 1HD1 LEU 14 -3.315 3.170 7.953
87 HD12 LEU 14 2HD1 LEU 14 -3.204 3.417 6.211
88 HD13 LEU 14 3HD1 LEU 14 -2.003 4.137 7.282
89 HD21 LEU 14 1HD2 LEU 14 -2.548 1.357 8.877
90 HD22 LEU 14 2HD2 LEU 14 -0.878 1.919 8.935
91 HD23 LEU 14 3HD2 LEU 14 -1.257 0.352 8.219
92 H ILE 15 HN ILE 15 -6.114 2.093 6.176
93 HA ILE 15 HA ILE 15 -6.298 2.467 3.290
94 HB ILE 15 HB ILE 15 -8.316 3.268 5.384
95 HG12 ILE 15 2HG1 ILE 15 -9.398 1.071 4.273
96 HG13 ILE 15 3HG1 ILE 15 -7.696 0.642 4.143
97 HG21 ILE 15 1HG2 ILE 15 -9.049 4.359 3.534
98 HG22 ILE 15 2HG2 ILE 15 -8.240 3.254 2.425
99 HG23 ILE 15 3HG2 ILE 15 -9.755 2.779 3.193
100 HD11 ILE 15 1HD1 ILE 15 -9.362 0.339 6.354
101 HD12 ILE 15 2HD1 ILE 15 -7.616 0.100 6.284
102 HD13 ILE 15 3HD1 ILE 15 -8.274 1.665 6.762
103 H LEU 16 HN LEU 16 -4.871 4.087 2.784
104 HA LEU 16 HA LEU 16 -4.337 6.400 4.202
105 HB2 LEU 16 2HB LEU 16 -4.293 5.812 1.259
106 HB3 LEU 16 3HB LEU 16 -3.799 7.376 1.903
107 HG LEU 16 HG LEU 16 -2.463 4.708 2.200
108 HD11 LEU 16 1HD1 LEU 16 -0.854 7.088 1.791
109 HD12 LEU 16 2HD1 LEU 16 -2.066 6.866 0.529
110 HD13 LEU 16 3HD1 LEU 16 -0.906 5.583 0.872
111 HD21 LEU 16 1HD2 LEU 16 -2.451 5.396 4.434
112 HD22 LEU 16 2HD2 LEU 16 -2.253 7.095 4.006
113 HD23 LEU 16 3HD2 LEU 16 -0.910 5.971 3.795
114 HA PRO 17 HA PRO 17 -7.839 9.026 3.864
115 HB2 PRO 17 2HB PRO 17 -6.669 11.467 3.664
116 HB3 PRO 17 3HB PRO 17 -6.693 10.534 5.165
117 HG2 PRO 17 2HG PRO 17 -4.504 10.813 3.142
118 HG3 PRO 17 3HG PRO 17 -4.401 10.838 4.913
119 HD2 PRO 17 2HD PRO 17 -3.779 8.648 3.446
120 HD3 PRO 17 3HD PRO 17 -4.482 8.540 5.074
121 H CYS 18 HN CYS 18 -5.903 8.376 1.284
122 HA CYS 18 HA CYS 18 -7.290 10.248 -0.510
123 HB2 CYS 18 2HB CYS 18 -5.547 9.624 -2.169
124 HB3 CYS 18 3HB CYS 18 -4.880 10.350 -0.711
125 H ALA 19 HN ALA 19 -7.841 7.338 0.702
126 HA ALA 19 HA ALA 19 -9.289 5.679 0.077
127 HB1 ALA 19 1HB ALA 19 -10.120 7.657 -1.491
128 HB2 ALA 19 2HB ALA 19 -9.486 6.583 -2.739
129 HB3 ALA 19 3HB ALA 19 -10.741 6.013 -1.639
130 H HIS 20 HN HIS 20 -6.467 5.415 -0.077
131 HA HIS 20 HA HIS 20 -6.290 3.324 -2.132
132 HB2 HIS 20 2HB HIS 20 -4.253 5.469 -1.541
133 HB3 HIS 20 3HB HIS 20 -3.842 3.981 -2.387
134 HD2 HIS 20 2HD HIS 20 -6.297 3.826 -4.502
135 HE1 HIS 20 1HE HIS 20 -5.134 7.762 -5.579
136 HE2 HIS 20 2HE HIS 20 -6.495 5.744 -6.227
137 H SER 21 HN SER 21 -6.351 1.552 -0.876
138 HA SER 21 HA SER 21 -5.146 1.423 1.711
139 HB2 SER 21 2HB SER 21 -5.617 -1.200 0.699
140 HB3 SER 21 3HB SER 21 -6.561 -0.302 1.888
141 HG SER 21 HG SER 21 -7.504 -1.045 -0.302
142 H PHE 22 HN PHE 22 -3.476 -0.114 2.335
143 HA PHE 22 HA PHE 22 -1.716 -1.178 0.329
144 HB2 PHE 22 2HB PHE 22 -0.763 1.124 2.046
145 HB3 PHE 22 3HB PHE 22 0.263 0.137 1.010
146 HD1 PHE 22 1HD PHE 22 -0.140 0.172 -1.474
147 HD2 PHE 22 2HD PHE 22 -1.935 2.961 1.193
148 HE1 PHE 22 1HE PHE 22 -0.592 1.683 -3.363
149 HE2 PHE 22 2HE PHE 22 -2.391 4.476 -0.691
150 HZ PHE 22 HZ PHE 22 -1.720 3.836 -2.973
151 H CYS 23 HN CYS 23 -2.153 -3.101 1.463
152 HA CYS 23 HA CYS 23 -2.091 -3.710 4.081
153 HB2 CYS 23 2HB CYS 23 -1.397 -5.927 3.522
154 HB3 CYS 23 3HB CYS 23 -2.335 -5.325 2.160
155 H GLN 24 HN GLN 24 -0.630 -4.025 5.712
156 HA GLN 24 HA GLN 24 1.510 -2.463 6.089
157 HB2 GLN 24 2HB GLN 24 0.842 -3.747 7.931
158 HB3 GLN 24 3HB GLN 24 1.007 -5.262 7.054
159 HG2 GLN 24 2HG GLN 24 2.753 -4.962 8.742
160 HG3 GLN 24 3HG GLN 24 3.410 -5.081 7.110
161 HE21 GLN 24 1HE2 GLN 24 2.036 -2.441 9.044
162 HE22 GLN 24 2HE2 GLN 24 3.373 -1.365 8.835
163 H LYS 25 HN LYS 25 1.794 -5.777 4.803
164 HA LYS 25 HA LYS 25 4.425 -6.050 4.360
165 HB2 LYS 25 2HB LYS 25 2.211 -6.688 2.405
166 HB3 LYS 25 3HB LYS 25 3.862 -7.272 2.241
167 HG2 LYS 25 2HG LYS 25 3.681 -8.690 4.056
168 HG3 LYS 25 3HG LYS 25 2.332 -7.791 4.754
169 HD2 LYS 25 2HD LYS 25 1.644 -8.779 2.138
170 HD3 LYS 25 3HD LYS 25 2.208 -10.097 3.168
171 HE2 LYS 25 2HE LYS 25 -0.040 -8.166 3.708
172 HE3 LYS 25 3HE LYS 25 -0.154 -9.906 3.456
173 HZ1 LYS 25 1HZ LYS 25 0.666 -8.424 5.830
174 HZ2 LYS 25 2HZ LYS 25 1.464 -9.884 5.526
175 HZ3 LYS 25 3HZ LYS 25 -0.218 -9.861 5.704
176 H CYS 26 HN CYS 26 2.392 -4.733 1.744
177 HA CYS 26 HA CYS 26 4.471 -3.712 0.212
178 HB2 CYS 26 2HB CYS 26 1.613 -2.747 0.441
179 HB3 CYS 26 3HB CYS 26 2.734 -2.248 -0.823
180 H ILE 27 HN ILE 27 2.923 -2.405 3.036
181 HA ILE 27 HA ILE 27 3.804 0.281 2.727
182 HB ILE 27 HB ILE 27 2.265 -1.185 4.629
183 HG12 ILE 27 2HG1 ILE 27 2.807 1.786 4.454
184 HG13 ILE 27 3HG1 ILE 27 1.672 0.923 3.422
185 HG21 ILE 27 1HG2 ILE 27 4.213 -1.254 6.050
186 HG22 ILE 27 2HG2 ILE 27 4.469 0.477 5.837
187 HG23 ILE 27 3HG2 ILE 27 3.051 -0.104 6.708
188 HD11 ILE 27 1HD1 ILE 27 1.300 1.979 6.058
189 HD12 ILE 27 2HD1 ILE 27 0.112 1.310 4.938
190 HD13 ILE 27 3HD1 ILE 27 0.980 0.245 6.043
191 H ASP 28 HN ASP 28 5.270 -2.621 3.937
192 HA ASP 28 HA ASP 28 7.331 -1.385 5.461
193 HB2 ASP 28 2HB ASP 28 6.572 -3.775 5.693
194 HB3 ASP 28 3HB ASP 28 7.403 -4.120 4.179
195 H LYS 29 HN LYS 29 7.086 -2.531 2.129
196 HA LYS 29 HA LYS 29 9.826 -1.754 1.559
197 HB2 LYS 29 2HB LYS 29 8.313 -3.746 0.569
198 HB3 LYS 29 3HB LYS 29 7.985 -2.511 -0.641
199 HG2 LYS 29 2HG LYS 29 10.033 -2.664 -1.534
200 HG3 LYS 29 3HG LYS 29 10.818 -2.829 0.038
201 HD2 LYS 29 2HD LYS 29 9.348 -5.003 -1.454
202 HD3 LYS 29 3HD LYS 29 11.099 -4.852 -1.298
203 HE2 LYS 29 2HE LYS 29 9.916 -4.750 1.300
204 HE3 LYS 29 3HE LYS 29 9.290 -6.155 0.439
205 HZ1 LYS 29 1HZ LYS 29 11.217 -7.195 0.681
206 HZ2 LYS 29 2HZ LYS 29 11.717 -5.950 1.711
207 HZ3 LYS 29 3HZ LYS 29 12.095 -5.888 0.063
208 H TRP 30 HN TRP 30 6.605 -0.923 0.268
209 HA TRP 30 HA TRP 30 7.702 1.520 -0.883
210 HB2 TRP 30 2HB TRP 30 4.804 0.790 -1.044
211 HB3 TRP 30 3HB TRP 30 5.815 1.621 -2.224
212 HD1 TRP 30 1HD TRP 30 4.022 -1.397 -2.108
213 HE1 TRP 30 1HE TRP 30 5.125 -3.295 -3.451
214 HE3 TRP 30 3HE TRP 30 8.723 0.560 -2.567
215 HZ2 TRP 30 2HZ TRP 30 7.654 -3.885 -4.559
216 HZ3 TRP 30 3HZ TRP 30 10.426 -0.735 -3.783
217 HH2 TRP 30 2HH TRP 30 9.900 -2.911 -4.757
218 H SER 31 HN SER 31 6.483 3.565 -0.602
219 HA SER 31 HA SER 31 5.580 5.221 0.678
220 HB2 SER 31 2HB SER 31 4.147 2.834 1.526
221 HB3 SER 31 3HB SER 31 4.309 4.002 2.838
222 HG SER 31 HG SER 31 2.637 4.075 0.787
223 H ASP 32 HN ASP 32 7.343 6.186 1.522
224 HA ASP 32 HA ASP 32 7.925 5.783 4.291
225 HB2 ASP 32 2HB ASP 32 10.503 5.521 3.504
226 HB3 ASP 32 3HB ASP 32 9.472 4.162 3.944
227 H ARG 33 HN ARG 33 9.951 7.190 4.882
228 HA ARG 33 HA ARG 33 10.717 9.324 5.097
229 HB2 ARG 33 2HB ARG 33 10.888 8.722 2.189
230 HB3 ARG 33 3HB ARG 33 11.125 10.394 2.681
231 HG2 ARG 33 2HG ARG 33 12.659 8.720 4.396
232 HG3 ARG 33 3HG ARG 33 12.984 8.273 2.720
233 HD2 ARG 33 2HD ARG 33 12.914 11.163 3.389
234 HD3 ARG 33 3HD ARG 33 14.297 10.228 3.955
235 HE ARG 33 HE ARG 33 14.047 9.567 1.315
236 HH11 ARG 33 1HH1 ARG 33 14.429 12.534 3.097
237 HH12 ARG 33 2HH1 ARG 33 15.283 13.341 1.825
238 HH21 ARG 33 1HH2 ARG 33 15.170 10.620 -0.368
239 HH22 ARG 33 2HH2 ARG 33 15.703 12.252 -0.147
240 H HIS 34 HN HIS 34 9.213 10.188 2.066
241 HA HIS 34 HA HIS 34 7.834 12.380 3.216
242 HB2 HIS 34 2HB HIS 34 7.851 11.098 0.503
243 HB3 HIS 34 3HB HIS 34 6.668 12.348 0.881
244 HD2 HIS 34 2HD HIS 34 10.530 11.991 0.359
245 HE1 HIS 34 1HE HIS 34 9.536 16.115 0.447
246 HE2 HIS 34 2HE HIS 34 11.330 14.419 -0.047
247 H ARG 35 HN ARG 35 7.007 9.070 2.702
248 HA ARG 35 HA ARG 35 5.207 7.853 3.403
249 HB2 ARG 35 2HB ARG 35 5.188 9.940 5.137
250 HB3 ARG 35 3HB ARG 35 3.625 10.156 4.359
251 HG2 ARG 35 2HG ARG 35 2.974 7.907 4.973
252 HG3 ARG 35 3HG ARG 35 4.563 7.621 5.686
253 HD2 ARG 35 2HD ARG 35 4.066 9.623 7.182
254 HD3 ARG 35 3HD ARG 35 2.400 9.486 6.623
255 HE ARG 35 HE ARG 35 2.142 7.746 8.066
256 HH11 ARG 35 1HH1 ARG 35 5.530 8.066 7.331
257 HH12 ARG 35 2HH1 ARG 35 6.019 6.817 8.427
258 HH21 ARG 35 1HH2 ARG 35 2.774 6.099 9.513
259 HH22 ARG 35 2HH2 ARG 35 4.451 5.698 9.667
260 H ASN 36 HN ASN 36 5.324 9.894 0.974
261 HA ASN 36 HA ASN 36 2.706 10.464 0.200
262 HB2 ASN 36 2HB ASN 36 3.638 10.511 -2.131
263 HB3 ASN 36 3HB ASN 36 4.544 11.478 -0.970
264 HD21 ASN 36 1HD2 ASN 36 5.995 11.092 -2.984
265 HD22 ASN 36 2HD2 ASN 36 7.117 9.787 -2.826
266 H CYS 37 HN CYS 37 1.518 9.456 -1.635
267 HA CYS 37 HA CYS 37 1.508 6.539 -1.302
268 HB2 CYS 37 2HB CYS 37 -0.625 7.342 -0.776
269 HB3 CYS 37 3HB CYS 37 -0.597 8.540 -2.067
270 HA PRO 38 HA PRO 38 3.037 5.946 -5.390
271 HB2 PRO 38 2HB PRO 38 2.135 3.420 -5.808
272 HB3 PRO 38 3HB PRO 38 3.493 3.790 -4.740
273 HG2 PRO 38 2HG PRO 38 0.631 3.254 -4.047
274 HG3 PRO 38 3HG PRO 38 2.103 2.666 -3.253
275 HD2 PRO 38 2HD PRO 38 0.653 4.736 -2.283
276 HD3 PRO 38 3HD PRO 38 2.415 4.634 -2.094
277 H ILE 39 HN ILE 39 -0.272 4.696 -4.892
278 HA ILE 39 HA ILE 39 -1.144 4.725 -7.505
279 HB ILE 39 HB ILE 39 -2.804 5.443 -5.086
280 HG12 ILE 39 2HG1 ILE 39 -1.547 3.288 -4.894
281 HG13 ILE 39 3HG1 ILE 39 -3.295 3.090 -4.887
282 HG21 ILE 39 1HG2 ILE 39 -3.482 4.657 -7.893
283 HG22 ILE 39 2HG2 ILE 39 -4.590 4.305 -6.568
284 HG23 ILE 39 3HG2 ILE 39 -4.132 5.973 -6.913
285 HD11 ILE 39 1HD1 ILE 39 -1.686 1.570 -6.343
286 HD12 ILE 39 2HD1 ILE 39 -3.314 2.001 -6.870
287 HD13 ILE 39 3HD1 ILE 39 -1.921 2.883 -7.497
288 H CYS 40 HN CYS 40 -1.791 7.313 -5.131
289 HA CYS 40 HA CYS 40 -2.980 9.211 -6.573
290 HB2 CYS 40 2HB CYS 40 -0.701 9.510 -4.631
291 HB3 CYS 40 3HB CYS 40 -1.482 10.915 -5.349
292 H ARG 41 HN ARG 41 0.374 8.254 -6.949
293 HA ARG 41 HA ARG 41 0.878 10.332 -8.916
294 HB2 ARG 41 2HB ARG 41 2.980 10.062 -8.223
295 HB3 ARG 41 3HB ARG 41 2.477 8.727 -7.197
296 HG2 ARG 41 2HG ARG 41 2.936 7.134 -8.880
297 HG3 ARG 41 3HG ARG 41 3.115 8.385 -10.112
298 HD2 ARG 41 2HD ARG 41 5.242 8.821 -9.531
299 HD3 ARG 41 3HD ARG 41 4.900 8.685 -7.807
300 HE ARG 41 HE ARG 41 4.915 6.165 -9.190
301 HH11 ARG 41 1HH1 ARG 41 6.849 8.549 -7.549
302 HH12 ARG 41 2HH1 ARG 41 8.106 7.432 -7.132
303 HH21 ARG 41 1HH2 ARG 41 6.565 4.685 -8.649
304 HH22 ARG 41 2HH2 ARG 41 7.944 5.235 -7.760
305 H LEU 42 HN LEU 42 0.613 6.798 -8.798
306 HA LEU 42 HA LEU 42 0.364 5.227 -10.429
307 HB2 LEU 42 2HB LEU 42 -1.370 7.483 -11.116
308 HB3 LEU 42 3HB LEU 42 -0.992 6.428 -12.476
309 HG LEU 42 HG LEU 42 -2.150 5.436 -9.876
310 HD11 LEU 42 1HD1 LEU 42 -3.477 7.111 -11.532
311 HD12 LEU 42 2HD1 LEU 42 -4.246 5.853 -10.567
312 HD13 LEU 42 3HD1 LEU 42 -3.862 5.552 -12.262
313 HD21 LEU 42 1HD2 LEU 42 -0.873 3.937 -11.576
314 HD22 LEU 42 2HD2 LEU 42 -2.340 4.098 -12.543
315 HD23 LEU 42 3HD2 LEU 42 -2.421 3.397 -10.925
Start of MODEL 20
1 H1 GLU 1 HN GLU 1 -14.562 -2.167 6.122
2 HA GLU 1 HA GLU 1 -12.414 -3.784 5.653
3 HB2 GLU 1 2HB GLU 1 -15.154 -4.151 5.918
4 HB3 GLU 1 3HB GLU 1 -14.790 -4.835 4.340
5 HG2 GLU 1 2HG GLU 1 -12.925 -6.115 5.505
6 HG3 GLU 1 3HG GLU 1 -13.701 -5.635 7.014
7 H GLU 2 HN GLU 2 -11.008 -3.838 4.040
8 HA GLU 2 HA GLU 2 -11.921 -4.017 1.305
9 HB2 GLU 2 2HB GLU 2 -10.606 -1.583 2.390
10 HB3 GLU 2 3HB GLU 2 -10.074 -2.144 0.810
11 HG2 GLU 2 2HG GLU 2 -11.845 -1.242 -0.151
12 HG3 GLU 2 3HG GLU 2 -12.925 -2.163 0.894
13 H GLU 3 HN GLU 3 -9.800 -3.988 -0.164
14 HA GLU 3 HA GLU 3 -7.733 -5.560 1.225
15 HB2 GLU 3 2HB GLU 3 -8.598 -6.148 -1.597
16 HB3 GLU 3 3HB GLU 3 -7.645 -7.152 -0.514
17 HG2 GLU 3 2HG GLU 3 -9.794 -8.126 -0.665
18 HG3 GLU 3 3HG GLU 3 -9.674 -7.378 0.927
19 H CYS 4 HN CYS 4 -5.628 -5.280 0.541
20 HA CYS 4 HA CYS 4 -4.656 -2.899 -0.179
21 HB2 CYS 4 2HB CYS 4 -3.327 -4.982 0.366
22 HB3 CYS 4 3HB CYS 4 -3.485 -5.435 -1.327
23 H CYS 5 HN CYS 5 -3.920 -1.869 -2.101
24 HA CYS 5 HA CYS 5 -5.574 -2.528 -4.436
25 HB2 CYS 5 2HB CYS 5 -4.824 -0.050 -3.143
26 HB3 CYS 5 3HB CYS 5 -4.388 -0.024 -4.848
27 HG CYS 5 HG CYS 5 -7.531 -0.805 -3.752
28 H ILE 6 HN ILE 6 -2.375 -2.544 -3.294
29 HA ILE 6 HA ILE 6 -1.204 -2.431 -5.967
30 HB ILE 6 HB ILE 6 0.040 -2.616 -3.227
31 HG12 ILE 6 2HG1 ILE 6 -0.102 -0.474 -5.348
32 HG13 ILE 6 3HG1 ILE 6 -0.707 -0.401 -3.697
33 HG21 ILE 6 1HG2 ILE 6 2.216 -2.473 -4.336
34 HG22 ILE 6 2HG2 ILE 6 1.358 -3.946 -4.783
35 HG23 ILE 6 3HG2 ILE 6 1.422 -2.589 -5.906
36 HD11 ILE 6 1HD1 ILE 6 2.183 -0.482 -4.529
37 HD12 ILE 6 2HD1 ILE 6 1.299 0.922 -3.930
38 HD13 ILE 6 3HD1 ILE 6 1.596 -0.453 -2.867
39 H CYS 7 HN CYS 7 -1.049 -4.634 -3.160
40 HA CYS 7 HA CYS 7 -0.140 -6.803 -4.845
41 HB2 CYS 7 2HB CYS 7 -0.972 -7.218 -2.005
42 HB3 CYS 7 3HB CYS 7 0.366 -7.938 -2.897
43 H MET 8 HN MET 8 -3.115 -5.644 -3.533
44 HA MET 8 HA MET 8 -5.245 -6.471 -3.501
45 HB2 MET 8 2HB MET 8 -4.189 -7.489 -6.136
46 HB3 MET 8 3HB MET 8 -5.878 -7.638 -5.668
47 HG2 MET 8 2HG MET 8 -6.316 -5.500 -6.121
48 HG3 MET 8 3HG MET 8 -4.822 -4.937 -5.376
49 HE1 MET 8 1HE MET 8 -6.017 -6.591 -9.111
50 HE2 MET 8 2HE MET 8 -6.875 -5.381 -8.156
51 HE3 MET 8 3HE MET 8 -5.935 -4.888 -9.566
52 H ASP 9 HN ASP 9 -3.311 -8.092 -2.113
53 HA ASP 9 HA ASP 9 -4.875 -10.475 -1.826
54 HB2 ASP 9 2HB ASP 9 -3.551 -11.187 -3.731
55 HB3 ASP 9 3HB ASP 9 -2.065 -10.700 -2.921
56 H GLY 10 HN GLY 10 -4.165 -8.337 -0.124
57 HA2 GLY 10 1HA GLY 10 -2.960 -9.862 2.039
58 HA3 GLY 10 2HA GLY 10 -2.082 -8.420 1.548
59 H ARG 11 HN ARG 11 -5.520 -8.390 1.281
60 HA ARG 11 HA ARG 11 -7.124 -7.151 2.314
61 HB2 ARG 11 2HB ARG 11 -5.507 -8.284 4.524
62 HB3 ARG 11 3HB ARG 11 -6.578 -6.953 4.945
63 HG2 ARG 11 2HG ARG 11 -7.440 -9.481 3.555
64 HG3 ARG 11 3HG ARG 11 -7.600 -9.167 5.283
65 HD2 ARG 11 2HD ARG 11 -8.894 -7.069 4.589
66 HD3 ARG 11 3HD ARG 11 -8.985 -7.810 2.992
67 HE ARG 11 HE ARG 11 -10.483 -8.539 5.318
68 HH11 ARG 11 1HH1 ARG 11 -9.126 -9.727 2.340
69 HH12 ARG 11 2HH1 ARG 11 -10.261 -11.027 2.190
70 HH21 ARG 11 1HH2 ARG 11 -11.984 -10.247 5.130
71 HH22 ARG 11 2HH2 ARG 11 -11.887 -11.322 3.776
72 H ALA 12 HN ALA 12 -7.343 -5.235 4.059
73 HA ALA 12 HA ALA 12 -5.186 -3.310 3.491
74 HB1 ALA 12 1HB ALA 12 -8.156 -2.803 3.424
75 HB2 ALA 12 2HB ALA 12 -6.919 -1.551 3.316
76 HB3 ALA 12 3HB ALA 12 -7.044 -2.777 2.056
77 H ASP 13 HN ASP 13 -4.200 -2.971 5.378
78 HA ASP 13 HA ASP 13 -5.794 -2.850 7.834
79 HB2 ASP 13 2HB ASP 13 -3.331 -4.020 7.264
80 HB3 ASP 13 3HB ASP 13 -2.921 -2.578 8.190
81 H LEU 14 HN LEU 14 -4.064 -0.871 5.625
82 HA LEU 14 HA LEU 14 -4.624 1.465 7.302
83 HB2 LEU 14 2HB LEU 14 -2.007 0.463 6.566
84 HB3 LEU 14 3HB LEU 14 -2.262 2.107 5.986
85 HG LEU 14 HG LEU 14 -2.680 1.304 8.857
86 HD11 LEU 14 1HD1 LEU 14 -0.225 1.451 7.447
87 HD12 LEU 14 2HD1 LEU 14 -0.491 1.222 9.175
88 HD13 LEU 14 3HD1 LEU 14 -0.327 2.850 8.516
89 HD21 LEU 14 1HD2 LEU 14 -1.896 4.033 8.124
90 HD22 LEU 14 2HD2 LEU 14 -3.125 3.467 9.257
91 HD23 LEU 14 3HD2 LEU 14 -3.481 3.537 7.530
92 H ILE 15 HN ILE 15 -6.233 2.259 6.044
93 HA ILE 15 HA ILE 15 -5.782 2.539 3.166
94 HB ILE 15 HB ILE 15 -8.263 2.997 4.823
95 HG12 ILE 15 2HG1 ILE 15 -8.247 0.988 2.673
96 HG13 ILE 15 3HG1 ILE 15 -7.165 0.625 4.013
97 HG21 ILE 15 1HG2 ILE 15 -8.516 4.497 3.070
98 HG22 ILE 15 2HG2 ILE 15 -7.688 3.448 1.921
99 HG23 ILE 15 3HG2 ILE 15 -9.316 3.046 2.466
100 HD11 ILE 15 1HD1 ILE 15 -10.137 0.909 4.016
101 HD12 ILE 15 2HD1 ILE 15 -9.139 -0.415 4.616
102 HD13 ILE 15 3HD1 ILE 15 -9.207 1.108 5.501
103 H LEU 16 HN LEU 16 -5.341 4.430 2.216
104 HA LEU 16 HA LEU 16 -4.738 6.719 3.803
105 HB2 LEU 16 2HB LEU 16 -4.795 6.197 0.847
106 HB3 LEU 16 3HB LEU 16 -4.441 7.794 1.502
107 HG LEU 16 HG LEU 16 -2.824 5.274 1.838
108 HD11 LEU 16 1HD1 LEU 16 -1.605 7.771 0.894
109 HD12 LEU 16 2HD1 LEU 16 -2.801 7.067 -0.195
110 HD13 LEU 16 3HD1 LEU 16 -1.407 6.117 0.317
111 HD21 LEU 16 1HD2 LEU 16 -2.766 7.862 3.327
112 HD22 LEU 16 2HD2 LEU 16 -1.260 7.000 3.013
113 HD23 LEU 16 3HD2 LEU 16 -2.551 6.216 3.922
114 HA PRO 17 HA PRO 17 -8.510 8.961 3.728
115 HB2 PRO 17 2HB PRO 17 -7.618 11.518 3.529
116 HB3 PRO 17 3HB PRO 17 -7.457 10.556 5.003
117 HG2 PRO 17 2HG PRO 17 -5.429 11.111 2.872
118 HG3 PRO 17 3HG PRO 17 -5.228 11.108 4.634
119 HD2 PRO 17 2HD PRO 17 -4.464 9.028 3.078
120 HD3 PRO 17 3HD PRO 17 -5.056 8.812 4.738
121 H CYS 18 HN CYS 18 -6.644 8.604 1.029
122 HA CYS 18 HA CYS 18 -8.428 10.261 -0.630
123 HB2 CYS 18 2HB CYS 18 -6.638 10.073 -2.372
124 HB3 CYS 18 3HB CYS 18 -6.138 10.936 -0.921
125 H ALA 19 HN ALA 19 -8.458 7.326 0.475
126 HA ALA 19 HA ALA 19 -9.545 5.432 -0.212
127 HB1 ALA 19 1HB ALA 19 -10.916 5.466 -2.047
128 HB2 ALA 19 2HB ALA 19 -10.706 7.197 -1.775
129 HB3 ALA 19 3HB ALA 19 -9.769 6.381 -3.025
130 H HIS 20 HN HIS 20 -7.072 4.979 0.092
131 HA HIS 20 HA HIS 20 -6.307 3.277 -2.125
132 HB2 HIS 20 2HB HIS 20 -4.727 5.686 -1.290
133 HB3 HIS 20 3HB HIS 20 -3.895 4.262 -1.905
134 HD2 HIS 20 2HD HIS 20 -5.516 3.487 -4.499
135 HE1 HIS 20 1HE HIS 20 -5.355 7.591 -5.560
136 HE2 HIS 20 2HE HIS 20 -5.841 5.254 -6.360
137 H SER 21 HN SER 21 -6.222 1.419 -1.021
138 HA SER 21 HA SER 21 -5.259 1.294 1.689
139 HB2 SER 21 2HB SER 21 -5.546 -1.251 1.219
140 HB3 SER 21 3HB SER 21 -6.984 -0.233 1.294
141 HG SER 21 HG SER 21 -7.129 -0.271 -0.902
142 H PHE 22 HN PHE 22 -3.565 -0.258 2.344
143 HA PHE 22 HA PHE 22 -1.586 -1.050 0.427
144 HB2 PHE 22 2HB PHE 22 -0.951 1.211 2.333
145 HB3 PHE 22 3HB PHE 22 0.248 0.331 1.392
146 HD1 PHE 22 1HD PHE 22 -2.109 3.020 1.420
147 HD2 PHE 22 2HD PHE 22 0.095 0.420 -1.130
148 HE1 PHE 22 1HE PHE 22 -2.449 4.576 -0.455
149 HE2 PHE 22 2HE PHE 22 -0.240 1.973 -3.009
150 HZ PHE 22 HZ PHE 22 -1.513 4.054 -2.673
151 H CYS 23 HN CYS 23 -1.979 -3.068 1.399
152 HA CYS 23 HA CYS 23 -1.956 -3.716 4.071
153 HB2 CYS 23 2HB CYS 23 -1.455 -5.965 3.424
154 HB3 CYS 23 3HB CYS 23 -2.438 -5.263 2.142
155 H GLN 24 HN GLN 24 -0.455 -4.009 5.632
156 HA GLN 24 HA GLN 24 1.874 -2.665 5.770
157 HB2 GLN 24 2HB GLN 24 0.930 -3.803 7.695
158 HB3 GLN 24 3HB GLN 24 1.308 -5.370 6.993
159 HG2 GLN 24 2HG GLN 24 3.227 -5.323 8.086
160 HG3 GLN 24 3HG GLN 24 3.729 -3.988 7.052
161 HE21 GLN 24 1HE2 GLN 24 3.750 -1.927 7.850
162 HE22 GLN 24 2HE2 GLN 24 3.499 -1.554 9.519
163 H LYS 25 HN LYS 25 1.505 -5.952 4.501
164 HA LYS 25 HA LYS 25 4.014 -6.822 4.108
165 HB2 LYS 25 2HB LYS 25 1.497 -7.194 2.757
166 HB3 LYS 25 3HB LYS 25 2.812 -7.216 1.589
167 HG2 LYS 25 2HG LYS 25 2.675 -8.921 4.068
168 HG3 LYS 25 3HG LYS 25 2.246 -9.452 2.440
169 HD2 LYS 25 2HD LYS 25 4.570 -8.863 1.725
170 HD3 LYS 25 3HD LYS 25 4.956 -8.562 3.420
171 HE2 LYS 25 2HE LYS 25 4.578 -11.100 1.982
172 HE3 LYS 25 3HE LYS 25 5.583 -10.729 3.381
173 HZ1 LYS 25 1HZ LYS 25 2.667 -11.274 3.364
174 HZ2 LYS 25 2HZ LYS 25 3.503 -10.700 4.717
175 HZ3 LYS 25 3HZ LYS 25 3.883 -12.215 4.070
176 H CYS 26 HN CYS 26 2.389 -4.808 1.647
177 HA CYS 26 HA CYS 26 4.833 -4.242 0.287
178 HB2 CYS 26 2HB CYS 26 3.432 -2.617 -1.002
179 HB3 CYS 26 3HB CYS 26 2.785 -4.255 -0.975
180 H ILE 27 HN ILE 27 2.776 -2.449 2.538
181 HA ILE 27 HA ILE 27 4.022 0.028 2.435
182 HB ILE 27 HB ILE 27 2.085 -1.197 4.071
183 HG12 ILE 27 2HG1 ILE 27 3.116 1.649 4.073
184 HG13 ILE 27 3HG1 ILE 27 1.935 0.994 2.942
185 HG21 ILE 27 1HG2 ILE 27 3.973 -1.548 5.673
186 HG22 ILE 27 2HG2 ILE 27 4.144 0.204 5.764
187 HG23 ILE 27 3HG2 ILE 27 2.651 -0.565 6.301
188 HD11 ILE 27 1HD1 ILE 27 0.573 0.437 5.062
189 HD12 ILE 27 2HD1 ILE 27 1.629 1.614 5.844
190 HD13 ILE 27 3HD1 ILE 27 0.624 2.101 4.479
191 H ASP 28 HN ASP 28 5.216 -2.939 3.638
192 HA ASP 28 HA ASP 28 7.235 -1.671 5.317
193 HB2 ASP 28 2HB ASP 28 5.910 -4.032 5.585
194 HB3 ASP 28 3HB ASP 28 7.402 -4.576 4.823
195 H LYS 29 HN LYS 29 6.938 -3.403 2.273
196 HA LYS 29 HA LYS 29 9.750 -3.598 1.799
197 HB2 LYS 29 2HB LYS 29 7.304 -4.405 0.478
198 HB3 LYS 29 3HB LYS 29 8.438 -3.714 -0.675
199 HG2 LYS 29 2HG LYS 29 9.866 -5.480 1.035
200 HG3 LYS 29 3HG LYS 29 8.424 -6.309 0.443
201 HD2 LYS 29 2HD LYS 29 10.138 -4.761 -1.457
202 HD3 LYS 29 3HD LYS 29 10.633 -6.376 -0.946
203 HE2 LYS 29 2HE LYS 29 8.574 -7.318 -1.770
204 HE3 LYS 29 3HE LYS 29 7.946 -5.714 -2.145
205 HZ1 LYS 29 1HZ LYS 29 8.875 -5.859 -4.131
206 HZ2 LYS 29 2HZ LYS 29 9.489 -7.392 -3.767
207 HZ3 LYS 29 3HZ LYS 29 10.409 -6.012 -3.435
208 H TRP 30 HN TRP 30 7.256 -1.259 1.051
209 HA TRP 30 HA TRP 30 9.003 0.270 -0.688
210 HB2 TRP 30 2HB TRP 30 6.154 0.560 0.221
211 HB3 TRP 30 3HB TRP 30 6.983 1.901 -0.563
212 HD1 TRP 30 1HD TRP 30 5.583 -1.586 -1.276
213 HE1 TRP 30 1HE TRP 30 5.425 -1.905 -3.825
214 HE3 TRP 30 3HE TRP 30 8.013 2.655 -2.777
215 HZ2 TRP 30 2HZ TRP 30 6.224 -0.540 -6.163
216 HZ3 TRP 30 3HZ TRP 30 8.274 3.073 -5.188
217 HH2 TRP 30 2HH TRP 30 7.398 1.507 -6.844
218 H SER 31 HN SER 31 8.633 2.833 -0.150
219 HA SER 31 HA SER 31 10.439 3.516 1.770
220 HB2 SER 31 2HB SER 31 9.800 5.726 1.458
221 HB3 SER 31 3HB SER 31 9.147 4.972 0.003
222 HG SER 31 HG SER 31 7.628 6.335 1.077
223 H ASP 32 HN ASP 32 10.475 3.882 3.930
224 HA ASP 32 HA ASP 32 8.723 2.566 5.623
225 HB2 ASP 32 2HB ASP 32 10.302 5.004 6.441
226 HB3 ASP 32 3HB ASP 32 9.852 3.621 7.433
227 H ARG 33 HN ARG 33 7.780 4.030 7.608
228 HA ARG 33 HA ARG 33 5.362 5.044 6.687
229 HB2 ARG 33 2HB ARG 33 6.643 4.674 9.203
230 HB3 ARG 33 3HB ARG 33 5.989 6.306 9.167
231 HG2 ARG 33 2HG ARG 33 4.510 3.715 8.817
232 HG3 ARG 33 3HG ARG 33 4.321 4.916 10.097
233 HD2 ARG 33 2HD ARG 33 3.892 6.334 7.751
234 HD3 ARG 33 3HD ARG 33 3.095 4.787 7.474
235 HE ARG 33 HE ARG 33 1.525 5.347 9.049
236 HH11 ARG 33 1HH1 ARG 33 4.228 7.527 9.284
237 HH12 ARG 33 2HH1 ARG 33 3.437 8.596 10.394
238 HH21 ARG 33 1HH2 ARG 33 0.472 6.747 10.510
239 HH22 ARG 33 2HH2 ARG 33 1.301 8.151 11.091
240 H HIS 34 HN HIS 34 5.803 6.511 4.998
241 HA HIS 34 HA HIS 34 6.938 9.093 5.838
242 HB2 HIS 34 2HB HIS 34 7.442 7.500 3.568
243 HB3 HIS 34 3HB HIS 34 6.537 8.896 2.992
244 HD2 HIS 34 2HD HIS 34 9.093 9.394 5.893
245 HE1 HIS 34 1HE HIS 34 10.692 11.142 2.374
246 HE2 HIS 34 2HE HIS 34 11.014 10.771 4.844
247 H ARG 35 HN ARG 35 4.074 7.498 4.901
248 HA ARG 35 HA ARG 35 1.919 8.207 4.708
249 HB2 ARG 35 2HB ARG 35 2.981 9.928 6.513
250 HB3 ARG 35 3HB ARG 35 2.507 11.053 5.247
251 HG2 ARG 35 2HG ARG 35 0.586 11.039 6.446
252 HG3 ARG 35 3HG ARG 35 0.250 9.671 5.384
253 HD2 ARG 35 2HD ARG 35 0.350 8.183 7.066
254 HD3 ARG 35 3HD ARG 35 1.725 8.987 7.824
255 HE ARG 35 HE ARG 35 0.268 10.099 9.192
256 HH11 ARG 35 1HH1 ARG 35 -1.492 8.781 6.493
257 HH12 ARG 35 2HH1 ARG 35 -3.046 9.195 7.137
258 HH21 ARG 35 1HH2 ARG 35 -1.772 10.650 10.050
259 HH22 ARG 35 2HH2 ARG 35 -3.204 10.259 9.159
260 H ASN 36 HN ASN 36 3.035 7.887 2.380
261 HA ASN 36 HA ASN 36 2.368 10.301 0.825
262 HB2 ASN 36 2HB ASN 36 3.966 9.529 -0.880
263 HB3 ASN 36 3HB ASN 36 4.755 9.783 0.674
264 HD21 ASN 36 1HD2 ASN 36 6.410 8.412 -0.285
265 HD22 ASN 36 2HD2 ASN 36 6.239 6.696 -0.174
266 H CYS 37 HN CYS 37 2.263 9.269 -1.684
267 HA CYS 37 HA CYS 37 0.593 6.915 -1.746
268 HB2 CYS 37 2HB CYS 37 -0.874 8.963 -1.139
269 HB3 CYS 37 3HB CYS 37 -0.636 9.442 -2.817
270 HA PRO 38 HA PRO 38 3.177 7.514 -5.506
271 HB2 PRO 38 2HB PRO 38 3.849 4.891 -5.716
272 HB3 PRO 38 3HB PRO 38 4.727 6.028 -4.686
273 HG2 PRO 38 2HG PRO 38 2.618 4.037 -3.943
274 HG3 PRO 38 3HG PRO 38 4.134 4.425 -3.109
275 HD2 PRO 38 2HD PRO 38 1.738 5.397 -2.305
276 HD3 PRO 38 3HD PRO 38 3.250 6.307 -2.113
277 H ILE 39 HN ILE 39 0.247 6.131 -4.773
278 HA ILE 39 HA ILE 39 -0.149 4.927 -7.409
279 HB ILE 39 HB ILE 39 -1.967 4.999 -4.999
280 HG12 ILE 39 2HG1 ILE 39 0.068 3.093 -6.020
281 HG13 ILE 39 3HG1 ILE 39 -0.424 3.436 -4.365
282 HG21 ILE 39 1HG2 ILE 39 -3.501 3.664 -6.165
283 HG22 ILE 39 2HG2 ILE 39 -3.057 4.935 -7.303
284 HG23 ILE 39 3HG2 ILE 39 -2.354 3.326 -7.461
285 HD11 ILE 39 1HD1 ILE 39 -1.193 1.300 -4.634
286 HD12 ILE 39 2HD1 ILE 39 -2.623 2.227 -5.086
287 HD13 ILE 39 3HD1 ILE 39 -1.588 1.538 -6.336
288 H CYS 40 HN CYS 40 -1.131 7.667 -5.466
289 HA CYS 40 HA CYS 40 -3.277 8.523 -7.109
290 HB2 CYS 40 2HB CYS 40 -1.836 9.509 -4.781
291 HB3 CYS 40 3HB CYS 40 -2.257 10.809 -5.891
292 H ARG 41 HN ARG 41 0.181 9.003 -7.209
293 HA ARG 41 HA ARG 41 0.645 11.193 -8.667
294 HB2 ARG 41 2HB ARG 41 1.766 8.466 -9.341
295 HB3 ARG 41 3HB ARG 41 2.466 10.008 -9.817
296 HG2 ARG 41 2HG ARG 41 2.044 9.254 -6.943
297 HG3 ARG 41 3HG ARG 41 3.512 8.841 -7.832
298 HD2 ARG 41 2HD ARG 41 4.050 11.122 -8.179
299 HD3 ARG 41 3HD ARG 41 2.456 11.651 -7.640
300 HE ARG 41 HE ARG 41 3.752 10.255 -5.561
301 HH11 ARG 41 1HH1 ARG 41 3.873 13.275 -7.289
302 HH12 ARG 41 2HH1 ARG 41 4.546 14.159 -5.959
303 HH21 ARG 41 1HH2 ARG 41 4.638 11.407 -3.803
304 HH22 ARG 41 2HH2 ARG 41 4.981 13.095 -3.978
305 H LEU 42 HN LEU 42 -0.646 8.173 -10.007
306 HA LEU 42 HA LEU 42 -1.321 9.641 -12.470
307 HB2 LEU 42 2HB LEU 42 -1.514 7.295 -13.448
308 HB3 LEU 42 3HB LEU 42 0.101 7.910 -13.107
309 HG LEU 42 HG LEU 42 -1.315 6.147 -11.139
310 HD11 LEU 42 1HD1 LEU 42 -1.381 4.983 -13.290
311 HD12 LEU 42 2HD1 LEU 42 -0.267 4.209 -12.164
312 HD13 LEU 42 3HD1 LEU 42 0.357 5.218 -13.469
313 HD21 LEU 42 1HD2 LEU 42 1.002 7.529 -10.969
314 HD22 LEU 42 2HD2 LEU 42 1.585 5.995 -11.616
315 HD23 LEU 42 3HD2 LEU 42 0.679 6.027 -10.102