Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
16166 | 1znt RC | 6656 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H VAL 1 H1 VAL 1 8.087 6.092 8.441
2 2H VAL 1 H2 VAL 1 6.466 6.064 8.040
3 3H VAL 1 H3 VAL 1 7.628 5.657 6.931
4 HA VAL 1 HA VAL 1 8.126 3.676 7.884
5 HB VAL 1 HB VAL 1 8.263 4.459 10.175
6 1HG1 VAL 1 1HG1 VAL 1 6.157 5.773 10.363
7 2HG1 VAL 1 2HG1 VAL 1 5.222 4.263 10.316
8 3HG1 VAL 1 3HG1 VAL 1 6.333 4.580 11.653
9 1HG2 VAL 1 1HG2 VAL 1 8.157 2.031 9.659
10 2HG2 VAL 1 2HG2 VAL 1 7.540 2.429 11.270
11 3HG2 VAL 1 3HG2 VAL 1 6.405 2.054 9.966
12 H GLY 2 H GLY 2 7.055 2.125 6.928
13 1HA GLY 2 HA3 GLY 2 5.045 0.689 6.579
14 2HA GLY 2 HA2 GLY 2 4.034 2.118 6.826
15 H GLU 3 H GLU 3 7.002 2.383 4.984
16 HA GLU 3 HA GLU 3 5.453 3.276 2.641
17 1HB GLU 3 HB2 GLU 3 7.679 4.084 1.976
18 2HB GLU 3 HB1 GLU 3 7.030 4.791 3.298
19 1HG GLU 3 HG2 GLU 3 9.072 2.788 3.532
20 2HG GLU 3 HG1 GLU 3 9.442 4.372 3.383
21 H CYS 4 H CYS 4 5.354 2.225 0.733
22 HA CYS 4 HA CYS 4 6.331 -0.503 0.601
23 1HB CYS 4 HB2 CYS 4 5.355 1.117 -1.658
24 2HB CYS 4 HB1 CYS 4 5.294 -0.506 -1.493
25 H VAL 5 H VAL 5 7.698 -1.363 -1.053
26 HA VAL 5 HA VAL 5 9.917 0.292 -2.054
27 HB VAL 5 HB VAL 5 9.168 -2.575 -2.744
28 1HG1 VAL 5 1HG1 VAL 5 11.821 -1.039 -2.887
29 2HG1 VAL 5 2HG1 VAL 5 11.599 -2.755 -3.277
30 3HG1 VAL 5 3HG1 VAL 5 10.856 -1.524 -4.296
31 1HG2 VAL 5 1HG2 VAL 5 10.975 -1.498 -0.545
32 2HG2 VAL 5 2HG2 VAL 5 9.491 -2.449 -0.328
33 3HG2 VAL 5 3HG2 VAL 5 10.909 -3.193 -1.064
34 H ARG 6 H ARG 6 7.874 1.588 -2.757
35 HA ARG 6 HA ARG 6 6.515 2.512 -4.327
36 1HB ARG 6 HB2 ARG 6 8.680 1.698 -6.166
37 2HB ARG 6 HB1 ARG 6 7.567 2.855 -6.463
38 1HG ARG 6 HG2 ARG 6 9.637 3.000 -4.464
39 2HG ARG 6 HG1 ARG 6 9.585 3.879 -5.839
40 1HD ARG 6 HD2 ARG 6 8.838 5.412 -4.397
41 2HD ARG 6 HD1 ARG 6 7.413 4.745 -4.834
42 HE ARG 6 HE ARG 6 8.657 3.591 -2.517
43 1HH1 ARG 6 2HH2 ARG 6 6.294 6.015 -3.501
44 2HH1 ARG 6 1HH2 ARG 6 5.515 5.973 -1.955
45 1HH2 ARG 6 2HH1 ARG 6 7.552 3.483 -0.671
46 2HH2 ARG 6 1HH1 ARG 6 6.222 4.549 -0.368
47 H GLY 7 H GLY 7 5.855 0.074 -3.624
48 1HA GLY 7 HA3 GLY 7 3.550 -0.333 -5.031
49 2HA GLY 7 HA2 GLY 7 4.656 -1.328 -5.971
50 H ARG 8 H ARG 8 6.124 -2.236 -3.425
51 HA ARG 8 HA ARG 8 3.939 -3.843 -2.171
52 1HB ARG 8 HB2 ARG 8 6.149 -4.746 -3.792
53 2HB ARG 8 HB1 ARG 8 6.038 -5.543 -2.371
54 1HG ARG 8 HG2 ARG 8 3.537 -5.391 -3.515
55 2HG ARG 8 HG1 ARG 8 4.581 -6.031 -4.596
56 1HD ARG 8 HD2 ARG 8 3.541 -7.751 -3.337
57 2HD ARG 8 HD1 ARG 8 5.151 -7.739 -3.063
58 HE ARG 8 HE ARG 8 4.833 -7.278 -0.838
59 1HH1 ARG 8 2HH2 ARG 8 1.753 -6.688 -2.486
60 2HH1 ARG 8 1HH2 ARG 8 0.906 -6.684 -0.976
61 1HH2 ARG 8 2HH1 ARG 8 3.646 -7.231 0.979
62 2HH2 ARG 8 1HH1 ARG 8 1.934 -6.978 0.905
63 H CYS 9 H CYS 9 4.649 -5.126 -0.384
64 HA CYS 9 HA CYS 9 6.671 -4.033 1.443
65 1HB CYS 9 HB2 CYS 9 3.783 -3.741 1.639
66 2HB CYS 9 HB1 CYS 9 4.507 -4.279 3.001
67 HA PRO 10 HA PRO 10 7.058 -8.202 2.820
68 1HB PRO 10 HB2 PRO 10 5.798 -7.628 5.420
69 2HB PRO 10 HB1 PRO 10 7.179 -8.440 5.106
70 1HG PRO 10 HG2 PRO 10 7.385 -5.979 5.847
71 2HG PRO 10 HG1 PRO 10 8.346 -6.483 4.626
72 1HD PRO 10 HD2 PRO 10 5.876 -5.002 4.415
73 2HD PRO 10 HD1 PRO 10 7.246 -4.768 3.556
74 H SER 11 H SER 11 5.946 -10.174 3.951
75 HA SER 11 HA SER 11 3.924 -10.861 2.074
76 1HB SER 11 HB2 SER 11 4.055 -12.992 3.185
77 2HB SER 11 HB1 SER 11 5.553 -12.412 2.890
78 HG SER 11 HG SER 11 4.191 -12.224 5.277
79 H GLY 12 H GLY 12 2.351 -9.357 2.595
80 1HA GLY 12 HA3 GLY 12 -0.026 -10.533 3.224
81 2HA GLY 12 HA2 GLY 12 0.468 -9.981 4.824
82 H MET 13 H MET 13 1.728 -7.479 3.372
83 HA MET 13 HA MET 13 -0.712 -5.905 3.738
84 1HB MET 13 HB2 MET 13 2.007 -5.034 2.983
85 2HB MET 13 HB1 MET 13 0.787 -4.054 3.450
86 1HG MET 13 HG2 MET 13 1.948 -4.187 5.341
87 2HG MET 13 HG1 MET 13 0.867 -5.390 5.567
88 1HE MET 13 HE1 MET 13 3.522 -4.957 7.270
89 2HE MET 13 HE2 MET 13 2.338 -6.240 7.621
90 3HE MET 13 HE3 MET 13 4.061 -6.643 7.437
91 H CYS 14 H CYS 14 -1.295 -4.138 2.266
92 HA CYS 14 HA CYS 14 -0.791 -4.642 -0.638
93 1HB CYS 14 HB2 CYS 14 -3.214 -3.418 0.499
94 2HB CYS 14 HB1 CYS 14 -2.993 -4.011 -1.006
95 H CYS 15 H CYS 15 -1.000 -2.432 -1.847
96 HA CYS 15 HA CYS 15 0.478 -0.427 -0.185
97 1HB CYS 15 HB2 CYS 15 1.848 -1.757 -1.683
98 2HB CYS 15 HB1 CYS 15 0.996 -1.232 -2.974
99 H SER 16 H SER 16 0.295 1.748 -0.703
100 HA SER 16 HA SER 16 -2.320 2.462 -1.873
101 1HB SER 16 HB2 SER 16 -2.281 4.152 -0.297
102 2HB SER 16 HB1 SER 16 -1.581 2.913 0.505
103 HG SER 16 HG SER 16 -0.518 4.830 0.820
104 H GLN 17 H GLN 17 -2.301 5.022 -2.193
105 HA GLN 17 HA GLN 17 -1.012 5.253 -4.772
106 1HB GLN 17 HB2 GLN 17 -2.841 7.130 -3.404
107 2HB GLN 17 HB1 GLN 17 -2.516 7.078 -5.004
108 1HG GLN 17 HG2 GLN 17 -4.604 6.122 -4.750
109 2HG GLN 17 HG1 GLN 17 -3.583 4.884 -5.054
110 1HE2 GLN 17 1HE2 GLN 17 -4.815 3.148 -4.014
111 2HE2 GLN 17 2HE2 GLN 17 -4.834 3.189 -2.246
112 1HN PFF 18 H PFF 18 -0.169 6.295 -1.622
113 HA PFF 18 HA PFF 18 1.927 8.131 -2.750
114 1HBC PFF 18 HB2 PFF 18 0.745 7.741 0.006
115 2HBC PFF 18 HB3 PFF 18 2.429 8.229 -0.157
116 HD1 PFF 18 HD1 PFF 18 -0.201 9.434 -2.521
117 HD2 PFF 18 HD2 PFF 18 2.294 10.329 0.887
118 HE1 PFF 18 HE1 PFF 18 -0.589 11.840 -2.866
119 HE2 PFF 18 HE2 PFF 18 1.890 12.748 0.535
120 H GLY 19 H GLY 19 1.405 4.868 -2.436
121 1HA GLY 19 HA3 GLY 19 2.717 3.064 -2.128
122 2HA GLY 19 HA2 GLY 19 4.140 4.088 -2.276
123 1HN PFF 20 H PFF 20 1.466 3.907 0.136
124 HA PFF 20 HA PFF 20 3.466 2.985 2.145
125 1HBC PFF 20 HB2 PFF 20 0.981 4.681 2.466
126 2HBC PFF 20 HB3 PFF 20 1.686 3.761 3.785
127 HD1 PFF 20 HD1 PFF 20 2.386 6.505 1.377
128 HD2 PFF 20 HD2 PFF 20 3.645 4.476 4.959
129 HE1 PFF 20 HE1 PFF 20 4.134 8.241 1.752
130 HE2 PFF 20 HE2 PFF 20 5.418 6.171 5.301
131 H CYS 21 H CYS 21 2.433 1.329 3.665
132 HA CYS 21 HA CYS 21 0.408 -0.210 2.101
133 1HB CYS 21 HB2 CYS 21 1.746 -2.128 2.437
134 2HB CYS 21 HB1 CYS 21 2.624 -0.981 1.675
135 H GLY 22 H GLY 22 -0.780 -1.806 3.072
136 1HA GLY 22 HA3 GLY 22 -0.870 -2.430 5.845
137 2HA GLY 22 HA2 GLY 22 -1.911 -1.019 5.544
138 H LYS 23 H LYS 23 -3.570 -2.670 6.261
139 HA LYS 23 HA LYS 23 -4.691 -3.962 3.817
140 1HB LYS 23 HB2 LYS 23 -3.736 -5.407 5.863
141 2HB LYS 23 HB1 LYS 23 -5.309 -5.303 6.292
142 1HG LYS 23 HG2 LYS 23 -5.996 -6.237 4.261
143 2HG LYS 23 HG1 LYS 23 -4.483 -6.144 3.653
144 1HD LYS 23 HD2 LYS 23 -3.774 -7.749 5.318
145 2HD LYS 23 HD1 LYS 23 -5.335 -7.911 5.771
146 1HE LYS 23 HE2 LYS 23 -4.809 -9.685 4.330
147 2HE LYS 23 HE1 LYS 23 -5.855 -8.697 3.557
148 1HZ LYS 23 HZ1 LYS 23 -3.005 -8.617 3.164
149 2HZ LYS 23 HZ2 LYS 23 -4.043 -9.391 2.149
150 3HZ LYS 23 HZ3 LYS 23 -4.109 -7.757 2.318
151 H GLY 24 H GLY 24 -5.132 -1.392 4.728
152 1HA GLY 24 HA3 GLY 24 -8.022 -1.428 5.497
153 2HA GLY 24 HA2 GLY 24 -6.922 -0.098 5.884
154 HA PRO 25 HA PRO 25 -9.887 0.272 2.146
155 1HB PRO 25 HB2 PRO 25 -9.658 3.023 3.199
156 2HB PRO 25 HB1 PRO 25 -10.918 2.339 2.417
157 1HG PRO 25 HG2 PRO 25 -10.955 2.305 4.998
158 2HG PRO 25 HG1 PRO 25 -11.419 0.948 4.216
159 1HD PRO 25 HD2 PRO 25 -8.925 1.440 5.541
160 2HD PRO 25 HD1 PRO 25 -9.711 0.016 5.394
161 H LYS 26 H LYS 26 -7.649 3.137 2.420
162 HA LYS 26 HA LYS 26 -7.207 2.989 -0.430
163 1HB LYS 26 HB2 LYS 26 -5.962 4.630 1.682
164 2HB LYS 26 HB1 LYS 26 -5.649 4.816 0.089
165 1HG LYS 26 HG2 LYS 26 -8.174 5.085 -0.069
166 2HG LYS 26 HG1 LYS 26 -8.033 5.499 1.504
167 1HD LYS 26 HD2 LYS 26 -7.832 7.521 0.461
168 2HD LYS 26 HD1 LYS 26 -6.270 7.101 0.689
169 1HE LYS 26 HE2 LYS 26 -6.340 6.113 -1.565
170 2HE LYS 26 HE1 LYS 26 -7.772 6.873 -1.762
171 1HZ LYS 26 HZ1 LYS 26 -6.350 8.339 -2.707
172 2HZ LYS 26 HZ2 LYS 26 -6.500 8.966 -1.234
173 3HZ LYS 26 HZ3 LYS 26 -5.178 8.077 -1.548
174 H TYR 27 H TYR 27 -5.814 1.019 1.923
175 HA TYR 27 HA TYR 27 -3.204 0.830 0.501
176 1HB TYR 27 HB2 TYR 27 -4.208 -0.671 2.838
177 2HB TYR 27 HB1 TYR 27 -2.702 -0.761 2.212
178 HD1 TYR 27 HD1 TYR 27 -1.261 1.388 2.176
179 HD2 TYR 27 HD2 TYR 27 -4.723 0.789 4.653
180 HE1 TYR 27 HE1 TYR 27 -0.436 3.123 3.770
181 HE2 TYR 27 HE2 TYR 27 -3.840 2.477 6.273
182 HH TYR 27 HH TYR 27 -0.861 4.351 5.734
183 H CYS 28 H CYS 28 -6.076 -1.286 1.338
184 HA CYS 28 HA CYS 28 -5.204 -2.974 -0.989
185 1HB CYS 28 HB2 CYS 28 -5.192 -3.667 1.487
186 2HB CYS 28 HB1 CYS 28 -6.790 -3.920 1.265
187 H GLY 29 H GLY 29 -7.560 -0.699 -0.490
188 1HA GLY 29 HA3 GLY 29 -9.587 -0.367 -1.569
189 2HA GLY 29 HA2 GLY 29 -9.564 -2.017 -2.197
190 H ARG 30 H ARG 30 -8.819 -1.980 1.088
191 HA ARG 30 HA ARG 30 -10.982 -1.753 2.666
192 1HB ARG 30 HB2 ARG 30 -11.944 -3.904 2.866
193 2HB ARG 30 HB1 ARG 30 -12.109 -3.461 1.302
194 1HG ARG 30 HG2 ARG 30 -10.211 -5.398 2.254
195 2HG ARG 30 HG1 ARG 30 -11.614 -5.766 1.503
196 1HD ARG 30 HD2 ARG 30 -9.338 -4.506 0.275
197 2HD ARG 30 HD1 ARG 30 -9.861 -6.026 -0.016
198 HE ARG 30 HE ARG 30 -11.687 -3.875 -0.634
199 1HH1 ARG 30 2HH1 ARG 30 -8.908 -5.372 -2.011
200 2HH1 ARG 30 1HH1 ARG 30 -9.537 -5.306 -3.623
201 1HH2 ARG 30 2HH2 ARG 30 -12.644 -4.124 -2.694
202 2HH2 ARG 30 1HH2 ARG 30 -11.622 -4.609 -4.005
203 1HN NH2 31 1HN NH2 31 -10.615 -3.534 4.695
204 2HN NH2 31 2HN NH2 31 -8.880 -3.671 5.009
205 H1 NAG 32 H1 NAG 32 -7.275 13.992 -2.646
206 H2 NAG 32 H2 NAG 32 -5.974 11.343 -3.359
207 H3 NAG 32 H3 NAG 32 -6.648 12.499 -0.618
208 H4 NAG 32 H4 NAG 32 -3.988 11.871 -1.983
209 H5 NAG 32 H5 NAG 32 -5.339 14.517 -1.276
210 1H6 NAG 32 1H6 NAG 32 -2.998 14.840 -0.972
211 2H6 NAG 32 2H6 NAG 32 -3.388 15.488 -2.571
212 1H8 NAG 32 1H8 NAG 32 -9.901 8.913 -3.799
213 2H8 NAG 32 2H8 NAG 32 -10.239 9.918 -2.365
214 3H8 NAG 32 3H8 NAG 32 -10.258 10.642 -4.005
215 HN2 NAG 32 HN2 NAG 32 -8.788 11.966 -2.501
216 HO1 NAG 32 HO1 NAG 32 -6.255 13.866 -4.974
217 HO3 NAG 32 HO3 NAG 32 -5.209 10.609 -0.167
218 HO6 NAG 32 HO6 NAG 32 -1.513 14.225 -2.632
219 H1 NAG 33 H1 NAG 33 -2.234 11.739 -0.481
220 H2 NAG 33 H2 NAG 33 -3.233 12.101 2.352
221 H3 NAG 33 H3 NAG 33 -0.511 11.013 1.547
222 H4 NAG 33 H4 NAG 33 -2.876 9.528 2.739
223 H5 NAG 33 H5 NAG 33 -1.739 9.487 -0.085
224 1H6 NAG 33 1H6 NAG 33 -3.945 7.809 1.190
225 2H6 NAG 33 2H6 NAG 33 -2.353 7.238 0.652
226 1H8 NAG 33 1H8 NAG 33 0.539 15.652 2.007
227 2H8 NAG 33 2H8 NAG 33 -0.476 15.543 0.549
228 3H8 NAG 33 3H8 NAG 33 -1.202 16.003 2.124
229 HN2 NAG 33 HN2 NAG 33 -2.415 14.138 1.041
230 HO3 NAG 33 HO3 NAG 33 -0.515 12.007 3.480
231 HO6 NAG 33 HO6 NAG 33 -3.622 6.768 -1.003
232 H1 NAG 34 H1 NAG 34 -1.330 8.961 4.371
233 H2 NAG 34 H2 NAG 34 0.231 6.552 3.405
234 H3 NAG 34 H3 NAG 34 -0.558 7.398 6.212
235 H4 NAG 34 H4 NAG 34 2.156 7.297 4.828
236 H5 NAG 34 H5 NAG 34 0.496 9.668 5.734
237 1H6 NAG 34 1H6 NAG 34 2.294 11.022 4.836
238 2H6 NAG 34 2H6 NAG 34 3.159 9.593 4.252
239 1H8 NAG 34 1H8 NAG 34 -4.312 5.878 2.933
240 2H8 NAG 34 2H8 NAG 34 -3.741 4.207 2.609
241 3H8 NAG 34 3H8 NAG 34 -3.843 4.806 4.282
242 HN2 NAG 34 HN2 NAG 34 -2.415 6.452 4.883
243 HO4 NAG 34 HO4 NAG 34 2.619 8.361 6.946
244 HO3 NAG 34 HO3 NAG 34 1.136 5.809 6.529
245 HO6 NAG 34 HO6 NAG 34 3.931 10.522 6.256
Start of MODEL 2
1 1H VAL 1 H1 VAL 1 9.089 6.818 6.880
2 2H VAL 1 H2 VAL 1 7.431 6.930 6.804
3 3H VAL 1 H3 VAL 1 8.300 6.151 5.633
4 HA VAL 1 HA VAL 1 8.898 4.397 7.030
5 HB VAL 1 HB VAL 1 7.430 5.885 9.253
6 1HG1 VAL 1 1HG1 VAL 1 8.977 3.248 9.208
7 2HG1 VAL 1 2HG1 VAL 1 8.353 4.046 10.665
8 3HG1 VAL 1 3HG1 VAL 1 7.226 3.424 9.462
9 1HG2 VAL 1 1HG2 VAL 1 9.600 6.960 8.875
10 2HG2 VAL 1 2HG2 VAL 1 9.704 5.943 10.306
11 3HG2 VAL 1 3HG2 VAL 1 10.401 5.370 8.781
12 H GLY 2 H GLY 2 7.707 2.920 6.170
13 1HA GLY 2 HA3 GLY 2 5.671 1.459 6.246
14 2HA GLY 2 HA2 GLY 2 4.700 2.917 6.476
15 H GLU 3 H GLU 3 7.350 3.190 4.284
16 HA GLU 3 HA GLU 3 5.552 3.712 2.031
17 1HB GLU 3 HB2 GLU 3 7.686 4.302 0.965
18 2HB GLU 3 HB1 GLU 3 7.264 5.224 2.246
19 1HG GLU 3 HG2 GLU 3 9.202 3.129 2.537
20 2HG GLU 3 HG1 GLU 3 9.652 4.620 2.046
21 H CYS 4 H CYS 4 5.620 2.615 0.014
22 HA CYS 4 HA CYS 4 5.992 -0.241 0.467
23 1HB CYS 4 HB2 CYS 4 5.289 0.927 -2.122
24 2HB CYS 4 HB1 CYS 4 4.863 -0.524 -1.503
25 H VAL 5 H VAL 5 7.295 -1.608 -0.524
26 HA VAL 5 HA VAL 5 9.851 -0.758 -1.721
27 HB VAL 5 HB VAL 5 8.681 -3.550 -1.321
28 1HG1 VAL 5 1HG1 VAL 5 11.519 -2.592 -1.948
29 2HG1 VAL 5 2HG1 VAL 5 11.048 -4.266 -1.589
30 3HG1 VAL 5 3HG1 VAL 5 10.463 -3.489 -3.062
31 1HG2 VAL 5 1HG2 VAL 5 10.656 -1.951 0.357
32 2HG2 VAL 5 2HG2 VAL 5 9.018 -2.436 0.842
33 3HG2 VAL 5 3HG2 VAL 5 10.260 -3.667 0.587
34 H ARG 6 H ARG 6 8.695 0.456 -3.359
35 HA ARG 6 HA ARG 6 7.949 0.844 -5.429
36 1HB ARG 6 HB2 ARG 6 10.092 -0.726 -5.665
37 2HB ARG 6 HB1 ARG 6 9.036 -1.636 -6.516
38 1HG ARG 6 HG2 ARG 6 8.765 0.922 -7.401
39 2HG ARG 6 HG1 ARG 6 10.366 0.599 -7.373
40 1HD ARG 6 HD2 ARG 6 9.439 0.077 -9.510
41 2HD ARG 6 HD1 ARG 6 10.026 -1.271 -8.798
42 HE ARG 6 HE ARG 6 7.650 -1.582 -7.965
43 1HH1 ARG 6 2HH2 ARG 6 8.221 -0.364 -11.212
44 2HH1 ARG 6 1HH2 ARG 6 6.525 -0.385 -11.559
45 1HH2 ARG 6 2HH1 ARG 6 5.614 -1.489 -8.391
46 2HH2 ARG 6 1HH1 ARG 6 5.047 -1.022 -9.960
47 H GLY 7 H GLY 7 6.246 -0.281 -3.767
48 1HA GLY 7 HA3 GLY 7 3.835 -0.568 -4.207
49 2HA GLY 7 HA2 GLY 7 4.227 -1.620 -5.559
50 H ARG 8 H ARG 8 6.318 -2.755 -3.188
51 HA ARG 8 HA ARG 8 4.267 -4.548 -1.987
52 1HB ARG 8 HB2 ARG 8 7.071 -5.030 -2.788
53 2HB ARG 8 HB1 ARG 8 6.164 -6.106 -1.961
54 1HG ARG 8 HG2 ARG 8 5.492 -5.206 -4.611
55 2HG ARG 8 HG1 ARG 8 6.324 -6.582 -4.327
56 1HD ARG 8 HD2 ARG 8 4.145 -7.235 -4.704
57 2HD ARG 8 HD1 ARG 8 4.376 -7.386 -3.094
58 HE ARG 8 HE ARG 8 3.214 -4.908 -4.002
59 1HH1 ARG 8 2HH2 ARG 8 2.534 -7.886 -2.202
60 2HH1 ARG 8 1HH2 ARG 8 1.362 -7.058 -1.232
61 1HH2 ARG 8 2HH1 ARG 8 1.874 -3.981 -2.629
62 2HH2 ARG 8 1HH1 ARG 8 1.006 -4.922 -1.463
63 H CYS 9 H CYS 9 5.268 -5.723 -0.009
64 HA CYS 9 HA CYS 9 6.741 -4.268 1.908
65 1HB CYS 9 HB2 CYS 9 3.980 -3.579 1.551
66 2HB CYS 9 HB1 CYS 9 4.258 -4.154 3.054
67 HA PRO 10 HA PRO 10 6.497 -8.276 3.649
68 1HB PRO 10 HB2 PRO 10 5.752 -8.047 6.238
69 2HB PRO 10 HB1 PRO 10 7.247 -7.676 5.693
70 1HG PRO 10 HG2 PRO 10 5.079 -5.840 6.233
71 2HG PRO 10 HG1 PRO 10 6.656 -5.643 6.607
72 1HD PRO 10 HD2 PRO 10 5.706 -4.486 4.488
73 2HD PRO 10 HD1 PRO 10 7.222 -5.093 4.453
74 H SER 11 H SER 11 5.174 -9.870 5.087
75 HA SER 11 HA SER 11 3.635 -11.397 4.001
76 1HB SER 11 HB2 SER 11 2.735 -10.263 6.554
77 2HB SER 11 HB1 SER 11 2.450 -11.777 6.010
78 HG SER 11 HG SER 11 4.231 -11.799 7.369
79 H GLY 12 H GLY 12 2.836 -10.200 2.194
80 1HA GLY 12 HA3 GLY 12 1.032 -9.734 0.782
81 2HA GLY 12 HA2 GLY 12 0.023 -10.519 1.998
82 H MET 13 H MET 13 1.902 -7.464 2.519
83 HA MET 13 HA MET 13 -0.628 -6.011 2.973
84 1HB MET 13 HB2 MET 13 2.165 -5.067 2.800
85 2HB MET 13 HB1 MET 13 0.892 -4.108 3.159
86 1HG MET 13 HG2 MET 13 0.460 -5.422 5.096
87 2HG MET 13 HG1 MET 13 1.753 -6.356 4.742
88 1HE MET 13 HE1 MET 13 1.273 -5.079 7.600
89 2HE MET 13 HE2 MET 13 2.656 -6.128 7.207
90 3HE MET 13 HE3 MET 13 2.927 -4.548 7.978
91 H CYS 14 H CYS 14 -1.016 -3.929 1.858
92 HA CYS 14 HA CYS 14 -0.667 -4.100 -1.106
93 1HB CYS 14 HB2 CYS 14 -2.979 -2.946 0.253
94 2HB CYS 14 HB1 CYS 14 -2.856 -3.498 -1.280
95 H CYS 15 H CYS 15 -1.131 -1.773 -2.047
96 HA CYS 15 HA CYS 15 0.482 0.175 -0.444
97 1HB CYS 15 HB2 CYS 15 1.774 -1.055 -2.120
98 2HB CYS 15 HB1 CYS 15 0.830 -0.446 -3.305
99 H SER 16 H SER 16 -0.016 2.319 -0.642
100 HA SER 16 HA SER 16 -2.774 2.842 -1.365
101 1HB SER 16 HB2 SER 16 -2.505 4.627 0.083
102 2HB SER 16 HB1 SER 16 -1.519 3.504 0.742
103 HG SER 16 HG SER 16 -0.630 5.574 0.704
104 H GLN 17 H GLN 17 -3.035 5.415 -1.799
105 HA GLN 17 HA GLN 17 -2.107 5.793 -4.524
106 1HB GLN 17 HB2 GLN 17 -3.514 7.812 -2.909
107 2HB GLN 17 HB1 GLN 17 -3.583 7.579 -4.524
108 1HG GLN 17 HG2 GLN 17 -5.649 7.026 -3.724
109 2HG GLN 17 HG1 GLN 17 -4.924 5.607 -4.083
110 1HE2 GLN 17 1HE2 GLN 17 -6.523 4.572 -2.668
111 2HE2 GLN 17 2HE2 GLN 17 -5.859 4.352 -1.026
112 1HN PFF 18 H PFF 18 -0.714 6.307 -1.498
113 HA PFF 18 HA PFF 18 0.885 8.651 -2.458
114 1HBC PFF 18 HB2 PFF 18 -0.042 7.952 0.352
115 2HBC PFF 18 HB3 PFF 18 1.049 9.275 -0.061
116 HD1 PFF 18 HD1 PFF 18 0.273 11.239 -1.332
117 HD2 PFF 18 HD2 PFF 18 -2.442 8.088 -0.208
118 HE1 PFF 18 HE1 PFF 18 -1.641 12.603 -2.133
119 HE2 PFF 18 HE2 PFF 18 -4.351 9.450 -1.041
120 H GLY 19 H GLY 19 1.195 5.484 -2.418
121 1HA GLY 19 HA3 GLY 19 3.139 4.215 -2.524
122 2HA GLY 19 HA2 GLY 19 4.071 5.650 -2.085
123 1HN PFF 20 H PFF 20 1.497 4.747 0.142
124 HA PFF 20 HA PFF 20 3.535 3.570 1.985
125 1HBC PFF 20 HB2 PFF 20 0.981 5.116 2.467
126 2HBC PFF 20 HB3 PFF 20 1.804 4.187 3.707
127 HD1 PFF 20 HD1 PFF 20 1.969 7.238 1.643
128 HD2 PFF 20 HD2 PFF 20 3.974 4.857 4.620
129 HE1 PFF 20 HE1 PFF 20 3.391 9.180 2.246
130 HE2 PFF 20 HE2 PFF 20 5.465 6.763 5.142
131 H CYS 21 H CYS 21 2.808 1.740 3.300
132 HA CYS 21 HA CYS 21 0.818 0.161 1.737
133 1HB CYS 21 HB2 CYS 21 2.229 -1.639 1.950
134 2HB CYS 21 HB1 CYS 21 3.208 -0.394 1.549
135 H GLY 22 H GLY 22 -0.353 -1.531 2.694
136 1HA GLY 22 HA3 GLY 22 -0.296 -2.314 5.400
137 2HA GLY 22 HA2 GLY 22 -1.455 -0.971 5.270
138 H LYS 23 H LYS 23 -2.703 -3.137 6.013
139 HA LYS 23 HA LYS 23 -3.857 -4.397 3.557
140 1HB LYS 23 HB2 LYS 23 -4.083 -5.170 6.407
141 2HB LYS 23 HB1 LYS 23 -4.864 -5.930 5.191
142 1HG LYS 23 HG2 LYS 23 -2.794 -6.615 4.261
143 2HG LYS 23 HG1 LYS 23 -1.985 -5.802 5.424
144 1HD LYS 23 HD2 LYS 23 -2.978 -7.232 7.080
145 2HD LYS 23 HD1 LYS 23 -3.716 -8.072 5.889
146 1HE LYS 23 HE2 LYS 23 -0.851 -7.856 6.005
147 2HE LYS 23 HE1 LYS 23 -1.639 -9.065 6.770
148 1HZ LYS 23 HZ1 LYS 23 -0.802 -9.739 4.671
149 2HZ LYS 23 HZ2 LYS 23 -2.450 -9.869 4.719
150 3HZ LYS 23 HZ3 LYS 23 -1.720 -8.625 3.917
151 H GLY 24 H GLY 24 -4.418 -1.722 5.168
152 1HA GLY 24 HA3 GLY 24 -7.274 -2.000 5.739
153 2HA GLY 24 HA2 GLY 24 -6.339 -0.503 5.861
154 HA PRO 25 HA PRO 25 -9.425 -0.971 2.154
155 1HB PRO 25 HB2 PRO 25 -10.303 1.552 3.418
156 2HB PRO 25 HB1 PRO 25 -11.192 0.474 2.572
157 1HG PRO 25 HG2 PRO 25 -11.255 0.331 5.150
158 2HG PRO 25 HG1 PRO 25 -11.175 -1.067 4.309
159 1HD PRO 25 HD2 PRO 25 -9.040 0.279 5.684
160 2HD PRO 25 HD1 PRO 25 -9.269 -1.332 5.538
161 H LYS 26 H LYS 26 -8.079 2.177 3.260
162 HA LYS 26 HA LYS 26 -7.655 3.331 0.711
163 1HB LYS 26 HB2 LYS 26 -6.537 3.769 3.395
164 2HB LYS 26 HB1 LYS 26 -5.880 4.570 2.132
165 1HG LYS 26 HG2 LYS 26 -8.719 4.689 2.416
166 2HG LYS 26 HG1 LYS 26 -7.827 5.610 3.428
167 1HD LYS 26 HD2 LYS 26 -7.408 5.750 0.574
168 2HD LYS 26 HD1 LYS 26 -8.521 6.702 1.296
169 1HE LYS 26 HE2 LYS 26 -6.943 7.827 2.506
170 2HE LYS 26 HE1 LYS 26 -5.828 6.653 2.290
171 1HZ LYS 26 HZ1 LYS 26 -6.670 8.518 0.251
172 2HZ LYS 26 HZ2 LYS 26 -5.314 8.592 1.126
173 3HZ LYS 26 HZ3 LYS 26 -5.496 7.333 0.060
174 H TYR 27 H TYR 27 -5.769 0.826 2.213
175 HA TYR 27 HA TYR 27 -3.377 1.427 0.533
176 1HB TYR 27 HB2 TYR 27 -3.850 -0.599 2.639
177 2HB TYR 27 HB1 TYR 27 -2.427 -0.333 1.883
178 HD1 TYR 27 HD1 TYR 27 -1.143 1.744 2.221
179 HD2 TYR 27 HD2 TYR 27 -4.648 0.790 4.495
180 HE1 TYR 27 HE1 TYR 27 -0.397 3.322 4.015
181 HE2 TYR 27 HE2 TYR 27 -4.000 2.521 6.192
182 HH TYR 27 HH TYR 27 -0.917 4.246 6.040
183 H CYS 28 H CYS 28 -5.824 -1.085 1.191
184 HA CYS 28 HA CYS 28 -4.765 -2.619 -1.079
185 1HB CYS 28 HB2 CYS 28 -5.254 -3.382 1.308
186 2HB CYS 28 HB1 CYS 28 -6.787 -3.579 0.780
187 H GLY 29 H GLY 29 -7.983 -1.277 -0.147
188 1HA GLY 29 HA3 GLY 29 -9.144 -2.293 -2.693
189 2HA GLY 29 HA2 GLY 29 -9.974 -1.348 -1.445
190 H ARG 30 H ARG 30 -8.280 0.684 -1.121
191 HA ARG 30 HA ARG 30 -7.522 2.684 -1.687
192 1HB ARG 30 HB2 ARG 30 -5.539 2.430 -2.708
193 2HB ARG 30 HB1 ARG 30 -5.870 0.889 -2.278
194 1HG ARG 30 HG2 ARG 30 -6.674 0.605 -4.615
195 2HG ARG 30 HG1 ARG 30 -5.872 1.993 -4.928
196 1HD ARG 30 HD2 ARG 30 -4.331 0.343 -5.377
197 2HD ARG 30 HD1 ARG 30 -3.901 0.903 -3.904
198 HE ARG 30 HE ARG 30 -5.694 -1.264 -3.622
199 1HH1 ARG 30 2HH2 ARG 30 -2.289 -0.603 -4.119
200 2HH1 ARG 30 1HH2 ARG 30 -1.866 -2.277 -3.984
201 1HH2 ARG 30 2HH1 ARG 30 -5.144 -3.359 -3.600
202 2HH2 ARG 30 1HH1 ARG 30 -3.481 -3.836 -3.690
203 1HN NH2 31 1HN NH2 31 -9.627 3.140 -5.047
204 2HN NH2 31 2HN NH2 31 -9.577 1.574 -4.245
205 H1 NAG 32 H1 NAG 32 -7.425 14.840 1.126
206 H2 NAG 32 H2 NAG 32 -6.241 12.956 -0.924
207 H3 NAG 32 H3 NAG 32 -5.850 12.893 2.104
208 H4 NAG 32 H4 NAG 32 -3.828 13.650 -0.062
209 H5 NAG 32 H5 NAG 32 -5.338 15.394 1.936
210 1H6 NAG 32 1H6 NAG 32 -4.240 17.231 0.457
211 2H6 NAG 32 2H6 NAG 32 -3.009 16.012 0.098
212 1H8 NAG 32 1H8 NAG 32 -10.078 11.058 -0.391
213 2H8 NAG 32 2H8 NAG 32 -9.477 9.464 0.111
214 3H8 NAG 32 3H8 NAG 32 -9.765 10.723 1.339
215 HN2 NAG 32 HN2 NAG 32 -8.684 12.815 0.521
216 HO1 NAG 32 HO1 NAG 32 -7.457 15.739 -1.203
217 HO3 NAG 32 HO3 NAG 32 -5.703 11.108 0.228
218 HO6 NAG 32 HO6 NAG 32 -2.397 16.062 2.208
219 H1 NAG 33 H1 NAG 33 -2.461 12.048 0.994
220 H2 NAG 33 H2 NAG 33 -1.253 13.180 3.535
221 H3 NAG 33 H3 NAG 33 -0.303 10.735 2.009
222 H4 NAG 33 H4 NAG 33 -1.736 10.712 4.710
223 H5 NAG 33 H5 NAG 33 -2.632 9.961 1.896
224 1H6 NAG 33 1H6 NAG 33 -4.241 9.864 4.472
225 2H6 NAG 33 2H6 NAG 33 -3.634 8.439 3.590
226 1H8 NAG 33 1H8 NAG 33 0.960 16.233 0.751
227 2H8 NAG 33 2H8 NAG 33 1.946 14.779 1.043
228 3H8 NAG 33 3H8 NAG 33 0.774 14.818 -0.315
229 HN2 NAG 33 HN2 NAG 33 0.458 12.797 1.159
230 HO3 NAG 33 HO3 NAG 33 0.748 10.532 4.145
231 HO6 NAG 33 HO6 NAG 33 -5.025 10.485 2.272
232 H1 NAG 34 H1 NAG 34 -1.392 8.620 5.694
233 H2 NAG 34 H2 NAG 34 0.393 6.883 3.951
234 H3 NAG 34 H3 NAG 34 -0.474 6.618 6.862
235 H4 NAG 34 H4 NAG 34 2.228 7.149 5.529
236 H5 NAG 34 H5 NAG 34 0.466 8.863 7.317
237 1H6 NAG 34 1H6 NAG 34 2.166 10.575 6.999
238 2H6 NAG 34 2H6 NAG 34 3.092 9.530 5.910
239 1H8 NAG 34 1H8 NAG 34 -3.682 5.713 1.952
240 2H8 NAG 34 2H8 NAG 34 -3.249 4.335 2.988
241 3H8 NAG 34 3H8 NAG 34 -4.010 5.784 3.713
242 HN2 NAG 34 HN2 NAG 34 -2.126 5.766 5.092
243 HO4 NAG 34 HO4 NAG 34 2.718 7.310 7.891
244 HO3 NAG 34 HO3 NAG 34 1.351 5.132 6.658
245 HO6 NAG 34 HO6 NAG 34 3.838 9.671 8.138
Start of MODEL 3
1 1H VAL 1 H1 VAL 1 7.979 6.770 6.537
2 2H VAL 1 H2 VAL 1 8.397 6.281 5.016
3 3H VAL 1 H3 VAL 1 9.550 6.878 5.998
4 HA VAL 1 HA VAL 1 9.580 4.453 5.748
5 HB VAL 1 HB VAL 1 10.707 5.417 7.597
6 1HG1 VAL 1 1HG1 VAL 1 8.923 6.798 8.640
7 2HG1 VAL 1 2HG1 VAL 1 8.144 5.316 9.240
8 3HG1 VAL 1 3HG1 VAL 1 9.757 5.761 9.798
9 1HG2 VAL 1 1HG2 VAL 1 9.074 3.044 8.586
10 2HG2 VAL 1 2HG2 VAL 1 10.463 2.948 7.477
11 3HG2 VAL 1 3HG2 VAL 1 10.681 3.546 9.131
12 H GLY 2 H GLY 2 8.276 3.040 5.103
13 1HA GLY 2 HA3 GLY 2 6.411 1.369 5.783
14 2HA GLY 2 HA2 GLY 2 5.479 2.798 6.225
15 H GLU 3 H GLU 3 7.533 3.106 3.430
16 HA GLU 3 HA GLU 3 5.207 3.162 1.607
17 1HB GLU 3 HB2 GLU 3 6.760 4.461 0.263
18 2HB GLU 3 HB1 GLU 3 6.418 5.173 1.693
19 1HG GLU 3 HG2 GLU 3 8.890 3.774 1.256
20 2HG GLU 3 HG1 GLU 3 8.737 5.372 0.954
21 H CYS 4 H CYS 4 5.248 1.972 -0.334
22 HA CYS 4 HA CYS 4 6.398 -0.560 0.065
23 1HB CYS 4 HB2 CYS 4 5.209 0.617 -2.350
24 2HB CYS 4 HB1 CYS 4 5.687 -0.943 -2.275
25 H VAL 5 H VAL 5 7.672 -1.789 -1.171
26 HA VAL 5 HA VAL 5 10.332 -0.670 -1.764
27 HB VAL 5 HB VAL 5 9.397 -3.569 -1.738
28 1HG1 VAL 5 1HG1 VAL 5 12.163 -2.292 -1.397
29 2HG1 VAL 5 2HG1 VAL 5 11.800 -4.024 -1.300
30 3HG1 VAL 5 3HG1 VAL 5 11.632 -3.179 -2.839
31 1HG2 VAL 5 1HG2 VAL 5 8.940 -2.621 0.466
32 2HG2 VAL 5 2HG2 VAL 5 10.382 -3.632 0.555
33 3HG2 VAL 5 3HG2 VAL 5 10.547 -1.864 0.509
34 H ARG 6 H ARG 6 8.896 0.398 -3.515
35 HA ARG 6 HA ARG 6 8.418 0.763 -5.745
36 1HB ARG 6 HB2 ARG 6 10.226 -1.445 -6.460
37 2HB ARG 6 HB1 ARG 6 9.777 -0.175 -7.386
38 1HG ARG 6 HG2 ARG 6 11.570 -0.061 -5.140
39 2HG ARG 6 HG1 ARG 6 11.996 0.113 -6.707
40 1HD ARG 6 HD2 ARG 6 11.761 2.270 -6.531
41 2HD ARG 6 HD1 ARG 6 10.186 2.073 -6.146
42 HE ARG 6 HE ARG 6 12.365 2.248 -4.233
43 1HH1 ARG 6 2HH2 ARG 6 8.943 2.776 -4.774
44 2HH1 ARG 6 1HH2 ARG 6 8.579 2.712 -3.082
45 1HH2 ARG 6 2HH1 ARG 6 11.729 1.876 -2.067
46 2HH2 ARG 6 1HH1 ARG 6 10.095 2.222 -1.609
47 H GLY 7 H GLY 7 6.556 -0.180 -4.518
48 1HA GLY 7 HA3 GLY 7 4.420 -0.912 -5.182
49 2HA GLY 7 HA2 GLY 7 5.142 -1.817 -6.504
50 H ARG 8 H ARG 8 6.814 -2.912 -3.791
51 HA ARG 8 HA ARG 8 4.752 -4.970 -3.116
52 1HB ARG 8 HB2 ARG 8 7.679 -5.140 -3.506
53 2HB ARG 8 HB1 ARG 8 6.880 -6.255 -2.620
54 1HG ARG 8 HG2 ARG 8 7.119 -7.179 -4.697
55 2HG ARG 8 HG1 ARG 8 5.551 -6.734 -4.592
56 1HD ARG 8 HD2 ARG 8 6.588 -6.268 -6.737
57 2HD ARG 8 HD1 ARG 8 5.861 -4.978 -6.046
58 HE ARG 8 HE ARG 8 7.823 -3.852 -6.138
59 1HH1 ARG 8 2HH2 ARG 8 8.561 -7.239 -6.562
60 2HH1 ARG 8 1HH2 ARG 8 10.268 -6.969 -6.441
61 1HH2 ARG 8 2HH1 ARG 8 10.000 -3.612 -5.690
62 2HH2 ARG 8 1HH1 ARG 8 11.068 -4.949 -5.956
63 H CYS 9 H CYS 9 5.026 -5.822 -0.829
64 HA CYS 9 HA CYS 9 6.788 -4.480 0.976
65 1HB CYS 9 HB2 CYS 9 4.412 -3.191 0.556
66 2HB CYS 9 HB1 CYS 9 4.152 -4.004 1.948
67 HA PRO 10 HA PRO 10 6.093 -8.329 2.910
68 1HB PRO 10 HB2 PRO 10 6.659 -7.944 5.454
69 2HB PRO 10 HB1 PRO 10 7.792 -7.608 4.327
70 1HG PRO 10 HG2 PRO 10 6.075 -5.720 5.694
71 2HG PRO 10 HG1 PRO 10 7.673 -5.561 5.398
72 1HD PRO 10 HD2 PRO 10 5.851 -4.454 3.828
73 2HD PRO 10 HD1 PRO 10 7.329 -4.870 3.271
74 H SER 11 H SER 11 5.091 -9.474 4.944
75 HA SER 11 HA SER 11 3.159 -10.324 5.821
76 1HB SER 11 HB2 SER 11 3.806 -8.525 7.348
77 2HB SER 11 HB1 SER 11 2.831 -7.472 6.569
78 HG SER 11 HG SER 11 1.089 -8.862 7.043
79 H GLY 12 H GLY 12 2.873 -9.655 3.211
80 1HA GLY 12 HA3 GLY 12 1.370 -9.307 1.436
81 2HA GLY 12 HA2 GLY 12 0.164 -10.035 2.504
82 H MET 13 H MET 13 1.896 -6.902 3.035
83 HA MET 13 HA MET 13 -0.704 -5.529 3.246
84 1HB MET 13 HB2 MET 13 2.053 -4.460 3.290
85 2HB MET 13 HB1 MET 13 0.704 -3.607 3.636
86 1HG MET 13 HG2 MET 13 1.679 -5.833 5.173
87 2HG MET 13 HG1 MET 13 1.807 -4.267 5.620
88 1HE MET 13 HE1 MET 13 0.863 -6.351 7.665
89 2HE MET 13 HE2 MET 13 0.925 -4.609 8.023
90 3HE MET 13 HE3 MET 13 -0.550 -5.537 8.374
91 H CYS 14 H CYS 14 -1.080 -3.515 2.009
92 HA CYS 14 HA CYS 14 -0.420 -3.888 -0.885
93 1HB CYS 14 HB2 CYS 14 -2.819 -2.617 0.256
94 2HB CYS 14 HB1 CYS 14 -2.593 -3.145 -1.273
95 H CYS 15 H CYS 15 -0.171 -1.949 -2.133
96 HA CYS 15 HA CYS 15 0.968 0.298 -0.666
97 1HB CYS 15 HB2 CYS 15 0.762 -0.234 -3.564
98 2HB CYS 15 HB1 CYS 15 1.727 0.876 -2.854
99 H SER 16 H SER 16 -0.100 2.134 -0.223
100 HA SER 16 HA SER 16 -2.810 2.590 -1.117
101 1HB SER 16 HB2 SER 16 -2.725 4.264 0.499
102 2HB SER 16 HB1 SER 16 -1.742 3.111 1.111
103 HG SER 16 HG SER 16 -0.870 5.105 1.345
104 H GLN 17 H GLN 17 -3.297 5.146 -1.440
105 HA GLN 17 HA GLN 17 -1.959 5.972 -3.856
106 1HB GLN 17 HB2 GLN 17 -3.514 7.732 -3.826
107 2HB GLN 17 HB1 GLN 17 -4.304 6.348 -3.465
108 1HG GLN 17 HG2 GLN 17 -4.291 6.952 -1.161
109 2HG GLN 17 HG1 GLN 17 -3.526 8.345 -1.537
110 1HE2 GLN 17 1HE2 GLN 17 -4.690 9.897 -3.097
111 2HE2 GLN 17 2HE2 GLN 17 -6.449 9.869 -2.937
112 1HN PFF 18 H PFF 18 -0.945 6.167 -0.679
113 HA PFF 18 HA PFF 18 0.888 8.428 -1.385
114 1HBC PFF 18 HB2 PFF 18 -0.074 7.321 1.259
115 2HBC PFF 18 HB3 PFF 18 1.595 7.800 1.137
116 HD1 PFF 18 HD1 PFF 18 1.744 9.703 2.482
117 HD2 PFF 18 HD2 PFF 18 -1.228 9.513 -0.640
118 HE1 PFF 18 HE1 PFF 18 1.517 12.173 2.532
119 HE2 PFF 18 HE2 PFF 18 -1.413 11.974 -0.612
120 H GLY 19 H GLY 19 0.623 5.293 -2.175
121 1HA GLY 19 HA3 GLY 19 2.137 3.642 -2.665
122 2HA GLY 19 HA2 GLY 19 3.461 4.759 -2.290
123 1HN PFF 20 H PFF 20 1.018 4.311 0.193
124 HA PFF 20 HA PFF 20 3.210 3.307 1.906
125 1HBC PFF 20 HB2 PFF 20 1.030 5.184 2.181
126 2HBC PFF 20 HB3 PFF 20 0.876 3.938 3.402
127 HD1 PFF 20 HD1 PFF 20 2.353 3.909 5.258
128 HD2 PFF 20 HD2 PFF 20 3.285 6.358 1.861
129 HE1 PFF 20 HE1 PFF 20 4.251 4.938 6.522
130 HE2 PFF 20 HE2 PFF 20 5.131 7.427 3.124
131 H CYS 21 H CYS 21 2.975 1.593 3.387
132 HA CYS 21 HA CYS 21 1.558 -0.623 2.106
133 1HB CYS 21 HB2 CYS 21 3.565 -0.595 4.261
134 2HB CYS 21 HB1 CYS 21 3.048 -1.918 3.455
135 H GLY 22 H GLY 22 -0.541 -1.139 2.801
136 1HA GLY 22 HA3 GLY 22 -0.588 -2.165 5.532
137 2HA GLY 22 HA2 GLY 22 -1.660 -0.782 5.337
138 H LYS 23 H LYS 23 -2.974 -2.845 6.074
139 HA LYS 23 HA LYS 23 -4.173 -4.171 3.667
140 1HB LYS 23 HB2 LYS 23 -4.000 -4.881 6.504
141 2HB LYS 23 HB1 LYS 23 -5.357 -5.324 5.710
142 1HG LYS 23 HG2 LYS 23 -4.176 -6.663 4.245
143 2HG LYS 23 HG1 LYS 23 -2.749 -5.999 4.681
144 1HD LYS 23 HD2 LYS 23 -2.696 -7.130 6.661
145 2HD LYS 23 HD1 LYS 23 -4.300 -7.434 6.623
146 1HE LYS 23 HE2 LYS 23 -3.119 -9.429 6.211
147 2HE LYS 23 HE1 LYS 23 -3.955 -9.008 4.872
148 1HZ LYS 23 HZ1 LYS 23 -1.963 -8.164 3.885
149 2HZ LYS 23 HZ2 LYS 23 -1.111 -8.592 5.225
150 3HZ LYS 23 HZ3 LYS 23 -1.796 -9.728 4.290
151 H GLY 24 H GLY 24 -6.622 -4.358 3.866
152 1HA GLY 24 HA3 GLY 24 -8.714 -3.412 4.187
153 2HA GLY 24 HA2 GLY 24 -8.011 -2.289 5.361
154 HA PRO 25 HA PRO 25 -9.907 -0.526 1.480
155 1HB PRO 25 HB2 PRO 25 -10.518 1.595 3.445
156 2HB PRO 25 HB1 PRO 25 -11.416 1.088 2.178
157 1HG PRO 25 HG2 PRO 25 -11.972 0.116 4.503
158 2HG PRO 25 HG1 PRO 25 -11.969 -0.911 3.233
159 1HD PRO 25 HD2 PRO 25 -9.919 -0.575 5.221
160 2HD PRO 25 HD1 PRO 25 -10.392 -1.966 4.508
161 H LYS 26 H LYS 26 -8.450 2.121 3.511
162 HA LYS 26 HA LYS 26 -7.743 3.583 1.238
163 1HB LYS 26 HB2 LYS 26 -6.725 3.668 4.013
164 2HB LYS 26 HB1 LYS 26 -6.268 4.767 2.895
165 1HG LYS 26 HG2 LYS 26 -9.060 4.511 3.173
166 2HG LYS 26 HG1 LYS 26 -8.311 5.122 4.490
167 1HD LYS 26 HD2 LYS 26 -8.983 6.898 3.059
168 2HD LYS 26 HD1 LYS 26 -7.353 6.846 3.140
169 1HE LYS 26 HE2 LYS 26 -7.445 5.505 1.069
170 2HE LYS 26 HE1 LYS 26 -9.004 5.976 0.953
171 1HZ LYS 26 HZ1 LYS 26 -6.734 7.739 0.923
172 2HZ LYS 26 HZ2 LYS 26 -7.621 7.362 -0.374
173 3HZ LYS 26 HZ3 LYS 26 -8.291 8.263 0.827
174 H TYR 27 H TYR 27 -5.872 1.038 2.748
175 HA TYR 27 HA TYR 27 -3.425 1.794 1.266
176 1HB TYR 27 HB2 TYR 27 -4.078 -0.509 2.987
177 2HB TYR 27 HB1 TYR 27 -2.620 -0.265 2.292
178 HD1 TYR 27 HD1 TYR 27 -1.268 1.778 2.867
179 HD2 TYR 27 HD2 TYR 27 -4.637 0.419 5.152
180 HE1 TYR 27 HE1 TYR 27 -0.358 2.930 4.899
181 HE2 TYR 27 HE2 TYR 27 -3.806 1.724 7.120
182 HH TYR 27 HH TYR 27 -0.866 3.753 6.944
183 H CYS 28 H CYS 28 -5.895 -0.819 1.250
184 HA CYS 28 HA CYS 28 -4.453 -2.010 -1.005
185 1HB CYS 28 HB2 CYS 28 -5.324 -3.084 1.132
186 2HB CYS 28 HB1 CYS 28 -6.755 -3.179 0.350
187 H GLY 29 H GLY 29 -7.650 -0.554 -0.459
188 1HA GLY 29 HA3 GLY 29 -8.297 -0.956 -3.369
189 2HA GLY 29 HA2 GLY 29 -9.450 -0.571 -2.096
190 H ARG 30 H ARG 30 -7.629 1.454 -0.929
191 HA ARG 30 HA ARG 30 -7.067 3.631 -0.949
192 1HB ARG 30 HB2 ARG 30 -7.005 3.378 -3.891
193 2HB ARG 30 HB1 ARG 30 -6.539 4.720 -3.085
194 1HG ARG 30 HG2 ARG 30 -4.729 3.705 -2.188
195 2HG ARG 30 HG1 ARG 30 -5.378 2.214 -2.341
196 1HD ARG 30 HD2 ARG 30 -5.102 2.897 -4.864
197 2HD ARG 30 HD1 ARG 30 -3.803 3.631 -4.199
198 HE ARG 30 HE ARG 30 -2.803 1.586 -3.719
199 1HH1 ARG 30 2HH2 ARG 30 -6.133 1.016 -4.761
200 2HH1 ARG 30 1HH2 ARG 30 -6.024 -0.660 -4.335
201 1HH2 ARG 30 2HH1 ARG 30 -2.857 -0.469 -3.046
202 2HH2 ARG 30 1HH1 ARG 30 -4.226 -1.472 -3.390
203 1HN NH2 31 1HN NH2 31 -10.605 4.407 -2.899
204 2HN NH2 31 2HN NH2 31 -9.557 3.111 -3.489
205 H1 NAG 32 H1 NAG 32 -7.931 14.432 1.114
206 H2 NAG 32 H2 NAG 32 -6.954 12.554 -1.062
207 H3 NAG 32 H3 NAG 32 -6.926 12.075 1.934
208 H4 NAG 32 H4 NAG 32 -4.450 12.681 0.289
209 H5 NAG 32 H5 NAG 32 -5.796 14.791 1.995
210 1H6 NAG 32 1H6 NAG 32 -4.257 16.289 0.757
211 2H6 NAG 32 2H6 NAG 32 -3.568 14.902 -0.091
212 1H8 NAG 32 1H8 NAG 32 -11.207 11.534 0.911
213 2H8 NAG 32 2H8 NAG 32 -11.092 11.045 -0.806
214 3H8 NAG 32 3H8 NAG 32 -11.031 9.818 0.480
215 HN2 NAG 32 HN2 NAG 32 -9.493 12.811 -0.332
216 HO1 NAG 32 HO1 NAG 32 -7.760 15.527 -1.125
217 HO3 NAG 32 HO3 NAG 32 -6.933 10.377 0.380
218 HO6 NAG 32 HO6 NAG 32 -2.342 15.696 1.678
219 H1 NAG 33 H1 NAG 33 -2.850 11.720 1.636
220 H2 NAG 33 H2 NAG 33 -3.534 11.924 4.568
221 H3 NAG 33 H3 NAG 33 -1.000 10.681 3.455
222 H4 NAG 33 H4 NAG 33 -3.330 9.165 4.645
223 H5 NAG 33 H5 NAG 33 -2.673 9.391 1.681
224 1H6 NAG 33 1H6 NAG 33 -4.895 7.984 3.228
225 2H6 NAG 33 2H6 NAG 33 -3.714 7.233 2.127
226 1H8 NAG 33 1H8 NAG 33 -1.386 15.641 4.319
227 2H8 NAG 33 2H8 NAG 33 0.311 15.223 4.663
228 3H8 NAG 33 3H8 NAG 33 -0.278 15.167 2.988
229 HN2 NAG 33 HN2 NAG 33 -2.544 13.916 3.159
230 HO3 NAG 33 HO3 NAG 33 -0.901 11.424 5.527
231 HO6 NAG 33 HO6 NAG 33 -5.231 9.399 1.220
232 H1 NAG 34 H1 NAG 34 -1.601 8.229 5.868
233 H2 NAG 34 H2 NAG 34 0.063 6.176 4.359
234 H3 NAG 34 H3 NAG 34 -0.640 6.634 7.296
235 H4 NAG 34 H4 NAG 34 1.943 6.841 5.678
236 H5 NAG 34 H5 NAG 34 0.317 8.995 7.036
237 1H6 NAG 34 1H6 NAG 34 1.966 10.505 6.066
238 2H6 NAG 34 2H6 NAG 34 2.793 9.162 5.257
239 1H8 NAG 34 1H8 NAG 34 -3.960 4.320 2.902
240 2H8 NAG 34 2H8 NAG 34 -3.832 3.849 4.614
241 3H8 NAG 34 3H8 NAG 34 -4.430 5.478 4.190
242 HN2 NAG 34 HN2 NAG 34 -2.447 5.458 5.875
243 HO4 NAG 34 HO4 NAG 34 2.599 7.649 7.850
244 HO3 NAG 34 HO3 NAG 34 1.191 5.169 7.362
245 HO6 NAG 34 HO6 NAG 34 3.752 9.928 7.258
Start of MODEL 4
1 1H VAL 1 H1 VAL 1 11.633 5.338 5.545
2 2H VAL 1 H2 VAL 1 10.188 6.140 5.726
3 3H VAL 1 H3 VAL 1 10.510 5.305 4.364
4 HA VAL 1 HA VAL 1 10.372 3.224 5.440
5 HB VAL 1 HB VAL 1 9.839 3.082 7.850
6 1HG1 VAL 1 1HG1 VAL 1 12.159 2.808 6.986
7 2HG1 VAL 1 2HG1 VAL 1 12.475 4.527 7.322
8 3HG1 VAL 1 3HG1 VAL 1 12.092 3.419 8.644
9 1HG2 VAL 1 1HG2 VAL 1 10.239 4.965 9.341
10 2HG2 VAL 1 2HG2 VAL 1 10.593 6.047 7.990
11 3HG2 VAL 1 3HG2 VAL 1 8.952 5.397 8.212
12 H GLY 2 H GLY 2 8.230 2.210 6.205
13 1HA GLY 2 HA3 GLY 2 5.926 2.094 6.183
14 2HA GLY 2 HA2 GLY 2 5.848 3.852 6.314
15 H GLU 3 H GLU 3 7.257 4.509 3.949
16 HA GLU 3 HA GLU 3 5.740 4.344 1.684
17 1HB GLU 3 HB2 GLU 3 7.835 4.664 0.556
18 2HB GLU 3 HB1 GLU 3 7.857 5.515 1.949
19 1HG GLU 3 HG2 GLU 3 9.102 3.643 2.937
20 2HG GLU 3 HG1 GLU 3 9.261 3.052 1.423
21 H CYS 4 H CYS 4 5.673 2.972 -0.193
22 HA CYS 4 HA CYS 4 5.906 0.155 0.463
23 1HB CYS 4 HB2 CYS 4 5.342 1.269 -2.204
24 2HB CYS 4 HB1 CYS 4 4.889 -0.187 -1.617
25 H VAL 5 H VAL 5 6.961 -1.500 -0.836
26 HA VAL 5 HA VAL 5 9.733 -0.765 -1.542
27 HB VAL 5 HB VAL 5 8.411 -3.506 -1.460
28 1HG1 VAL 5 1HG1 VAL 5 10.759 -4.288 -1.295
29 2HG1 VAL 5 2HG1 VAL 5 10.523 -3.395 -2.798
30 3HG1 VAL 5 3HG1 VAL 5 11.339 -2.616 -1.426
31 1HG2 VAL 5 1HG2 VAL 5 10.032 -2.047 0.664
32 2HG2 VAL 5 2HG2 VAL 5 8.328 -2.531 0.790
33 3HG2 VAL 5 3HG2 VAL 5 9.588 -3.767 0.713
34 H ARG 6 H ARG 6 8.308 0.545 -3.089
35 HA ARG 6 HA ARG 6 7.811 1.134 -5.255
36 1HB ARG 6 HB2 ARG 6 10.273 -0.465 -5.477
37 2HB ARG 6 HB1 ARG 6 9.648 0.300 -6.778
38 1HG ARG 6 HG2 ARG 6 11.399 1.544 -5.615
39 2HG ARG 6 HG1 ARG 6 10.014 2.378 -5.848
40 1HD ARG 6 HD2 ARG 6 9.402 2.091 -3.616
41 2HD ARG 6 HD1 ARG 6 10.668 1.092 -3.358
42 HE ARG 6 HE ARG 6 11.864 3.420 -4.050
43 1HH1 ARG 6 2HH1 ARG 6 9.581 2.452 -1.544
44 2HH1 ARG 6 1HH1 ARG 6 10.161 3.648 -0.433
45 1HH2 ARG 6 2HH2 ARG 6 12.532 4.966 -2.435
46 2HH2 ARG 6 1HH2 ARG 6 11.722 4.979 -0.904
47 H GLY 7 H GLY 7 6.291 -0.741 -4.312
48 1HA GLY 7 HA3 GLY 7 4.356 -1.459 -5.896
49 2HA GLY 7 HA2 GLY 7 5.554 -2.521 -6.631
50 H ARG 8 H ARG 8 6.592 -2.997 -3.584
51 HA ARG 8 HA ARG 8 4.305 -4.722 -2.751
52 1HB ARG 8 HB2 ARG 8 7.008 -5.491 -3.543
53 2HB ARG 8 HB1 ARG 8 6.416 -6.237 -2.217
54 1HG ARG 8 HG2 ARG 8 5.368 -6.368 -4.883
55 2HG ARG 8 HG1 ARG 8 5.928 -7.613 -3.987
56 1HD ARG 8 HD2 ARG 8 3.392 -6.301 -3.743
57 2HD ARG 8 HD1 ARG 8 3.664 -7.888 -4.015
58 HE ARG 8 HE ARG 8 4.594 -7.853 -1.605
59 1HH1 ARG 8 2HH2 ARG 8 1.641 -6.344 -2.803
60 2HH1 ARG 8 1HH2 ARG 8 0.892 -6.398 -1.242
61 1HH2 ARG 8 2HH1 ARG 8 3.552 -7.716 0.414
62 2HH2 ARG 8 1HH1 ARG 8 1.921 -7.137 0.489
63 H CYS 9 H CYS 9 5.066 -5.868 -0.617
64 HA CYS 9 HA CYS 9 6.692 -4.507 1.240
65 1HB CYS 9 HB2 CYS 9 3.912 -3.766 1.011
66 2HB CYS 9 HB1 CYS 9 4.333 -4.219 2.522
67 HA PRO 10 HA PRO 10 6.386 -8.375 3.300
68 1HB PRO 10 HB2 PRO 10 5.090 -7.183 5.662
69 2HB PRO 10 HB1 PRO 10 6.382 -8.180 5.594
70 1HG PRO 10 HG2 PRO 10 6.835 -5.664 5.904
71 2HG PRO 10 HG1 PRO 10 7.788 -6.479 4.857
72 1HD PRO 10 HD2 PRO 10 5.504 -4.827 4.224
73 2HD PRO 10 HD1 PRO 10 6.935 -4.875 3.438
74 H SER 11 H SER 11 5.000 -9.853 4.819
75 HA SER 11 HA SER 11 3.257 -11.323 3.645
76 1HB SER 11 HB2 SER 11 2.906 -10.594 6.475
77 2HB SER 11 HB1 SER 11 2.673 -12.054 5.779
78 HG SER 11 HG SER 11 4.671 -12.038 6.783
79 H GLY 12 H GLY 12 1.752 -10.513 2.270
80 1HA GLY 12 HA3 GLY 12 -0.358 -9.828 1.588
81 2HA GLY 12 HA2 GLY 12 -0.895 -10.228 3.221
82 H MET 13 H MET 13 1.563 -7.707 2.738
83 HA MET 13 HA MET 13 -0.370 -5.607 3.571
84 1HB MET 13 HB2 MET 13 2.470 -5.398 2.759
85 2HB MET 13 HB1 MET 13 1.581 -4.220 3.458
86 1HG MET 13 HG2 MET 13 2.170 -6.700 4.783
87 2HG MET 13 HG1 MET 13 3.099 -5.369 4.965
88 1HE MET 13 HE1 MET 13 2.775 -3.447 6.544
89 2HE MET 13 HE2 MET 13 1.529 -2.895 5.402
90 3HE MET 13 HE3 MET 13 1.179 -2.956 7.144
91 H CYS 14 H CYS 14 -0.540 -3.628 2.251
92 HA CYS 14 HA CYS 14 -0.170 -4.012 -0.684
93 1HB CYS 14 HB2 CYS 14 -2.662 -2.931 0.404
94 2HB CYS 14 HB1 CYS 14 -2.377 -3.559 -1.077
95 H CYS 15 H CYS 15 -0.545 -1.885 -1.852
96 HA CYS 15 HA CYS 15 0.783 0.283 -0.293
97 1HB CYS 15 HB2 CYS 15 1.984 -0.865 -2.092
98 2HB CYS 15 HB1 CYS 15 0.875 -0.357 -3.179
99 H SER 16 H SER 16 -0.036 2.385 -0.327
100 HA SER 16 HA SER 16 -2.789 2.699 -1.303
101 1HB SER 16 HB2 SER 16 -2.801 4.528 0.149
102 2HB SER 16 HB1 SER 16 -1.911 3.415 0.947
103 HG SER 16 HG SER 16 -0.924 5.363 1.122
104 H GLN 17 H GLN 17 -3.421 4.997 -2.105
105 HA GLN 17 HA GLN 17 -1.959 5.674 -4.460
106 1HB GLN 17 HB2 GLN 17 -3.755 7.456 -2.910
107 2HB GLN 17 HB1 GLN 17 -3.394 7.579 -4.499
108 1HG GLN 17 HG2 GLN 17 -5.389 6.700 -4.731
109 2HG GLN 17 HG1 GLN 17 -4.575 5.298 -4.534
110 1HE2 GLN 17 1HE2 GLN 17 -7.405 6.469 -3.731
111 2HE2 GLN 17 2HE2 GLN 17 -7.532 5.692 -2.154
112 1HN PFF 18 H PFF 18 -1.215 6.299 -1.171
113 HA PFF 18 HA PFF 18 0.264 8.797 -1.820
114 1HBC PFF 18 HB2 PFF 18 -0.320 7.563 0.887
115 2HBC PFF 18 HB3 PFF 18 0.253 9.194 0.539
116 HD1 PFF 18 HD1 PFF 18 -1.284 10.724 -0.877
117 HD2 PFF 18 HD2 PFF 18 -2.675 7.041 0.858
118 HE1 PFF 18 HE1 PFF 18 -3.637 11.408 -1.297
119 HE2 PFF 18 HE2 PFF 18 -5.010 7.692 0.378
120 H GLY 19 H GLY 19 0.834 5.569 -2.114
121 1HA GLY 19 HA3 GLY 19 2.857 4.513 -2.451
122 2HA GLY 19 HA2 GLY 19 3.701 6.002 -2.009
123 1HN PFF 20 H PFF 20 1.400 4.811 0.345
124 HA PFF 20 HA PFF 20 3.643 3.790 2.046
125 1HBC PFF 20 HB2 PFF 20 1.010 5.167 2.631
126 2HBC PFF 20 HB3 PFF 20 1.826 4.195 3.842
127 HD1 PFF 20 HD1 PFF 20 1.996 7.350 1.943
128 HD2 PFF 20 HD2 PFF 20 3.926 4.831 4.845
129 HE1 PFF 20 HE1 PFF 20 3.471 9.235 2.598
130 HE2 PFF 20 HE2 PFF 20 5.500 6.675 5.405
131 H CYS 21 H CYS 21 3.229 1.933 3.357
132 HA CYS 21 HA CYS 21 1.334 0.068 2.039
133 1HB CYS 21 HB2 CYS 21 3.728 -0.314 3.678
134 2HB CYS 21 HB1 CYS 21 2.693 -1.548 3.409
135 H GLY 22 H GLY 22 -0.176 -1.206 3.077
136 1HA GLY 22 HA3 GLY 22 -0.253 -1.521 5.943
137 2HA GLY 22 HA2 GLY 22 -1.469 -0.362 5.408
138 H LYS 23 H LYS 23 -3.022 -1.937 6.170
139 HA LYS 23 HA LYS 23 -3.743 -3.910 4.060
140 1HB LYS 23 HB2 LYS 23 -4.092 -4.281 6.990
141 2HB LYS 23 HB1 LYS 23 -4.757 -5.245 5.851
142 1HG LYS 23 HG2 LYS 23 -2.593 -5.912 5.133
143 2HG LYS 23 HG1 LYS 23 -1.910 -4.919 6.235
144 1HD LYS 23 HD2 LYS 23 -2.924 -6.223 7.988
145 2HD LYS 23 HD1 LYS 23 -3.505 -7.248 6.857
146 1HE LYS 23 HE2 LYS 23 -0.680 -6.773 7.166
147 2HE LYS 23 HE1 LYS 23 -1.438 -7.988 7.952
148 1HZ LYS 23 HZ1 LYS 23 -1.945 -9.047 5.961
149 2HZ LYS 23 HZ2 LYS 23 -1.438 -7.765 5.084
150 3HZ LYS 23 HZ3 LYS 23 -0.342 -8.679 5.895
151 H GLY 24 H GLY 24 -6.235 -4.275 4.233
152 1HA GLY 24 HA3 GLY 24 -8.384 -3.385 4.344
153 2HA GLY 24 HA2 GLY 24 -7.785 -2.146 5.457
154 HA PRO 25 HA PRO 25 -9.626 -0.700 1.450
155 1HB PRO 25 HB2 PRO 25 -10.073 1.636 3.203
156 2HB PRO 25 HB1 PRO 25 -11.022 1.070 2.000
157 1HG PRO 25 HG2 PRO 25 -11.580 0.327 4.406
158 2HG PRO 25 HG1 PRO 25 -11.645 -0.806 3.232
159 1HD PRO 25 HD2 PRO 25 -9.556 -0.402 5.164
160 2HD PRO 25 HD1 PRO 25 -10.092 -1.822 4.563
161 H LYS 26 H LYS 26 -8.083 2.216 2.981
162 HA LYS 26 HA LYS 26 -7.346 3.165 0.438
163 1HB LYS 26 HB2 LYS 26 -6.368 3.954 3.110
164 2HB LYS 26 HB1 LYS 26 -6.081 4.803 1.744
165 1HG LYS 26 HG2 LYS 26 -8.456 5.053 1.445
166 2HG LYS 26 HG1 LYS 26 -8.691 4.290 2.870
167 1HD LYS 26 HD2 LYS 26 -8.873 6.549 3.322
168 2HD LYS 26 HD1 LYS 26 -7.431 6.085 3.930
169 1HE LYS 26 HE2 LYS 26 -6.309 7.012 2.076
170 2HE LYS 26 HE1 LYS 26 -7.733 7.385 1.369
171 1HZ LYS 26 HZ1 LYS 26 -6.738 8.563 3.815
172 2HZ LYS 26 HZ2 LYS 26 -6.878 9.367 2.415
173 3HZ LYS 26 HZ3 LYS 26 -8.216 8.905 3.125
174 H TYR 27 H TYR 27 -5.575 0.907 2.396
175 HA TYR 27 HA TYR 27 -3.063 1.392 0.878
176 1HB TYR 27 HB2 TYR 27 -3.774 -0.613 2.924
177 2HB TYR 27 HB1 TYR 27 -2.294 -0.447 2.253
178 HD1 TYR 27 HD1 TYR 27 -1.037 1.760 2.501
179 HD2 TYR 27 HD2 TYR 27 -4.455 0.643 4.863
180 HE1 TYR 27 HE1 TYR 27 -0.263 3.263 4.339
181 HE2 TYR 27 HE2 TYR 27 -3.728 2.239 6.644
182 HH TYR 27 HH TYR 27 -0.684 4.049 6.433
183 H CYS 28 H CYS 28 -5.599 -1.135 1.223
184 HA CYS 28 HA CYS 28 -4.249 -2.619 -0.920
185 1HB CYS 28 HB2 CYS 28 -5.087 -3.422 1.360
186 2HB CYS 28 HB1 CYS 28 -6.516 -3.611 0.593
187 H GLY 29 H GLY 29 -7.495 -1.227 -0.405
188 1HA GLY 29 HA3 GLY 29 -8.198 -1.940 -3.230
189 2HA GLY 29 HA2 GLY 29 -9.318 -1.417 -1.976
190 H ARG 30 H ARG 30 -7.226 0.727 -1.251
191 HA ARG 30 HA ARG 30 -6.662 2.885 -1.663
192 1HB ARG 30 HB2 ARG 30 -6.869 1.990 -4.452
193 2HB ARG 30 HB1 ARG 30 -6.602 3.566 -4.117
194 1HG ARG 30 HG2 ARG 30 -4.619 3.132 -3.080
195 2HG ARG 30 HG1 ARG 30 -5.001 1.565 -2.827
196 1HD ARG 30 HD2 ARG 30 -4.888 1.727 -5.483
197 2HD ARG 30 HD1 ARG 30 -3.649 2.676 -5.002
198 HE ARG 30 HE ARG 30 -2.564 0.879 -3.969
199 1HH1 ARG 30 2HH2 ARG 30 -5.592 -0.258 -5.369
200 2HH1 ARG 30 1HH2 ARG 30 -5.491 -1.742 -4.481
201 1HH2 ARG 30 2HH1 ARG 30 -2.672 -0.890 -2.734
202 2HH2 ARG 30 1HH1 ARG 30 -3.888 -2.086 -3.032
203 1HN NH2 31 1HN NH2 31 -9.498 2.156 -3.764
204 2HN NH2 31 2HN NH2 31 -10.422 3.542 -3.174
205 H1 NAG 32 H1 NAG 32 -8.496 14.652 1.697
206 H2 NAG 32 H2 NAG 32 -8.067 11.745 0.939
207 H3 NAG 32 H3 NAG 32 -7.010 13.066 3.464
208 H4 NAG 32 H4 NAG 32 -5.505 12.237 0.947
209 H5 NAG 32 H5 NAG 32 -6.190 14.972 2.075
210 1H6 NAG 32 1H6 NAG 32 -3.965 15.206 1.364
211 2H6 NAG 32 2H6 NAG 32 -4.919 15.725 -0.029
212 1H8 NAG 32 1H8 NAG 32 -11.057 11.720 4.528
213 2H8 NAG 32 2H8 NAG 32 -11.949 11.740 2.974
214 3H8 NAG 32 3H8 NAG 32 -11.559 10.194 3.762
215 HN2 NAG 32 HN2 NAG 32 -9.936 13.103 2.774
216 HO1 NAG 32 HO1 NAG 32 -8.745 14.312 -0.730
217 HO3 NAG 32 HO3 NAG 32 -5.869 11.163 3.564
218 HO6 NAG 32 HO6 NAG 32 -4.459 13.790 -1.017
219 H1 NAG 33 H1 NAG 33 -3.830 11.158 1.826
220 H2 NAG 33 H2 NAG 33 -2.169 12.916 3.621
221 H3 NAG 33 H3 NAG 33 -1.210 10.407 2.235
222 H4 NAG 33 H4 NAG 33 -1.845 10.529 5.189
223 H5 NAG 33 H5 NAG 33 -3.619 9.232 3.078
224 1H6 NAG 33 1H6 NAG 33 -3.989 9.651 6.082
225 2H6 NAG 33 2H6 NAG 33 -3.559 8.113 5.318
226 1H8 NAG 33 1H8 NAG 33 0.257 13.717 -0.817
227 2H8 NAG 33 2H8 NAG 33 -1.448 13.274 -1.104
228 3H8 NAG 33 3H8 NAG 33 -1.051 14.768 -0.209
229 HN2 NAG 33 HN2 NAG 33 -2.669 13.338 0.985
230 HO3 NAG 33 HO3 NAG 33 0.327 11.829 2.872
231 HO6 NAG 33 HO6 NAG 33 -5.779 8.470 5.888
232 H1 NAG 34 H1 NAG 34 -1.437 8.430 6.172
233 H2 NAG 34 H2 NAG 34 0.282 6.746 4.298
234 H3 NAG 34 H3 NAG 34 -0.330 6.494 7.277
235 H4 NAG 34 H4 NAG 34 2.213 7.167 5.721
236 H5 NAG 34 H5 NAG 34 0.516 8.795 7.638
237 1H6 NAG 34 1H6 NAG 34 2.082 10.597 7.153
238 2H6 NAG 34 2H6 NAG 34 2.962 9.589 5.993
239 1H8 NAG 34 1H8 NAG 34 -3.363 4.131 3.114
240 2H8 NAG 34 2H8 NAG 34 -3.822 4.831 4.688
241 3H8 NAG 34 3H8 NAG 34 -4.132 5.736 3.180
242 HN2 NAG 34 HN2 NAG 34 -2.106 5.605 5.714
243 HO4 NAG 34 HO4 NAG 34 2.878 7.393 8.042
244 HO3 NAG 34 HO3 NAG 34 1.549 5.113 6.943
245 HO6 NAG 34 HO6 NAG 34 3.944 9.774 8.090
Start of MODEL 5
1 1H VAL 1 H1 VAL 1 6.911 -0.053 5.092
2 2H VAL 1 H2 VAL 1 5.783 -0.245 3.989
3 3H VAL 1 H3 VAL 1 6.384 -1.586 4.733
4 HA VAL 1 HA VAL 1 4.091 -0.840 5.455
5 HB VAL 1 HB VAL 1 4.564 -1.107 7.894
6 1HG1 VAL 1 1HG1 VAL 1 4.084 -2.977 6.338
7 2HG1 VAL 1 2HG1 VAL 1 5.827 -3.188 6.050
8 3HG1 VAL 1 3HG1 VAL 1 5.154 -3.449 7.665
9 1HG2 VAL 1 1HG2 VAL 1 7.469 -1.518 6.997
10 2HG2 VAL 1 2HG2 VAL 1 6.880 -0.170 7.995
11 3HG2 VAL 1 3HG2 VAL 1 6.793 -1.825 8.602
12 H GLY 2 H GLY 2 2.838 0.944 5.931
13 1HA GLY 2 HA3 GLY 2 2.395 3.161 6.449
14 2HA GLY 2 HA2 GLY 2 4.061 3.396 7.027
15 H GLU 3 H GLU 3 5.706 2.962 5.214
16 HA GLU 3 HA GLU 3 4.994 4.252 2.620
17 1HB GLU 3 HB2 GLU 3 7.388 3.828 2.212
18 2HB GLU 3 HB1 GLU 3 7.060 4.918 3.383
19 1HG GLU 3 HG2 GLU 3 8.838 3.812 4.200
20 2HG GLU 3 HG1 GLU 3 7.584 3.108 4.974
21 H CYS 4 H CYS 4 5.410 3.039 0.580
22 HA CYS 4 HA CYS 4 5.203 0.071 0.926
23 1HB CYS 4 HB2 CYS 4 5.133 1.596 -1.585
24 2HB CYS 4 HB1 CYS 4 4.776 0.016 -1.377
25 H VAL 5 H VAL 5 6.624 -1.288 -0.119
26 HA VAL 5 HA VAL 5 9.442 -0.458 0.115
27 HB VAL 5 HB VAL 5 8.223 -3.211 -0.355
28 1HG1 VAL 5 1HG1 VAL 5 10.595 -3.053 -1.112
29 2HG1 VAL 5 2HG1 VAL 5 11.040 -2.325 0.449
30 3HG1 VAL 5 3HG1 VAL 5 10.465 -4.001 0.371
31 1HG2 VAL 5 1HG2 VAL 5 8.795 -3.576 2.035
32 2HG2 VAL 5 2HG2 VAL 5 9.253 -1.865 2.178
33 3HG2 VAL 5 3HG2 VAL 5 7.572 -2.311 1.845
34 H ARG 6 H ARG 6 8.991 0.971 -1.666
35 HA ARG 6 HA ARG 6 9.343 1.678 -3.835
36 1HB ARG 6 HB2 ARG 6 11.052 -0.731 -3.780
37 2HB ARG 6 HB1 ARG 6 11.027 0.288 -5.057
38 1HG ARG 6 HG2 ARG 6 12.867 0.810 -3.733
39 2HG ARG 6 HG1 ARG 6 11.799 2.043 -3.652
40 1HD ARG 6 HD2 ARG 6 11.744 0.132 -1.549
41 2HD ARG 6 HD1 ARG 6 12.970 1.211 -1.556
42 HE ARG 6 HE ARG 6 10.831 2.818 -1.780
43 1HH1 ARG 6 2HH2 ARG 6 11.895 0.572 0.729
44 2HH1 ARG 6 1HH2 ARG 6 10.896 1.349 1.911
45 1HH2 ARG 6 2HH1 ARG 6 9.413 3.527 -0.240
46 2HH2 ARG 6 1HH1 ARG 6 9.552 2.944 1.386
47 H GLY 7 H GLY 7 7.083 0.480 -3.319
48 1HA GLY 7 HA3 GLY 7 5.219 0.305 -4.900
49 2HA GLY 7 HA2 GLY 7 6.234 -0.673 -5.957
50 H ARG 8 H ARG 8 7.007 -2.144 -3.132
51 HA ARG 8 HA ARG 8 4.596 -3.936 -3.221
52 1HB ARG 8 HB2 ARG 8 7.135 -4.607 -3.777
53 2HB ARG 8 HB1 ARG 8 7.101 -4.940 -2.179
54 1HG ARG 8 HG2 ARG 8 4.933 -6.152 -2.832
55 2HG ARG 8 HG1 ARG 8 5.680 -6.240 -4.282
56 1HD ARG 8 HD2 ARG 8 7.520 -7.360 -3.260
57 2HD ARG 8 HD1 ARG 8 6.764 -7.280 -1.815
58 HE ARG 8 HE ARG 8 5.922 -8.922 -4.056
59 1HH1 ARG 8 2HH2 ARG 8 5.667 -8.378 -0.567
60 2HH1 ARG 8 1HH2 ARG 8 5.006 -9.959 -0.312
61 1HH2 ARG 8 2HH1 ARG 8 5.094 -10.963 -3.541
62 2HH2 ARG 8 1HH1 ARG 8 4.700 -11.337 -1.896
63 H CYS 9 H CYS 9 4.827 -5.346 -1.039
64 HA CYS 9 HA CYS 9 6.040 -4.097 1.182
65 1HB CYS 9 HB2 CYS 9 3.399 -3.350 0.731
66 2HB CYS 9 HB1 CYS 9 3.362 -4.369 2.007
67 HA PRO 10 HA PRO 10 6.108 -8.326 2.295
68 1HB PRO 10 HB2 PRO 10 4.974 -8.736 4.712
69 2HB PRO 10 HB1 PRO 10 6.466 -8.100 4.525
70 1HG PRO 10 HG2 PRO 10 4.014 -6.682 5.063
71 2HG PRO 10 HG1 PRO 10 5.493 -6.375 5.683
72 1HD PRO 10 HD2 PRO 10 4.569 -4.939 3.699
73 2HD PRO 10 HD1 PRO 10 6.169 -5.240 3.824
74 H SER 11 H SER 11 5.020 -10.290 2.174
75 HA SER 11 HA SER 11 2.711 -10.090 0.495
76 1HB SER 11 HB2 SER 11 3.960 -12.505 1.633
77 2HB SER 11 HB1 SER 11 2.899 -12.478 0.391
78 HG SER 11 HG SER 11 5.243 -12.551 -0.021
79 H GLY 12 H GLY 12 1.351 -9.047 1.913
80 1HA GLY 12 HA3 GLY 12 -0.934 -10.347 2.848
81 2HA GLY 12 HA2 GLY 12 0.152 -10.337 4.245
82 H MET 13 H MET 13 1.320 -7.637 3.271
83 HA MET 13 HA MET 13 -0.904 -5.827 4.113
84 1HB MET 13 HB2 MET 13 1.970 -5.350 3.566
85 2HB MET 13 HB1 MET 13 0.904 -4.178 3.959
86 1HG MET 13 HG2 MET 13 1.453 -6.391 5.704
87 2HG MET 13 HG1 MET 13 2.275 -4.983 5.804
88 1HE MET 13 HE1 MET 13 0.176 -4.936 9.068
89 2HE MET 13 HE2 MET 13 0.920 -6.346 8.282
90 3HE MET 13 HE3 MET 13 1.816 -4.813 8.391
91 H CYS 14 H CYS 14 -0.999 -3.759 2.680
92 HA CYS 14 HA CYS 14 -0.692 -4.440 -0.204
93 1HB CYS 14 HB2 CYS 14 -3.024 -2.999 0.830
94 2HB CYS 14 HB1 CYS 14 -2.850 -3.778 -0.595
95 H CYS 15 H CYS 15 -0.931 -2.390 -1.568
96 HA CYS 15 HA CYS 15 0.357 -0.054 -0.207
97 1HB CYS 15 HB2 CYS 15 1.880 -1.372 -1.548
98 2HB CYS 15 HB1 CYS 15 0.921 -1.231 -2.863
99 H SER 16 H SER 16 -0.420 1.961 -0.705
100 HA SER 16 HA SER 16 -2.660 2.194 -2.636
101 1HB SER 16 HB2 SER 16 -3.074 4.242 -1.667
102 2HB SER 16 HB1 SER 16 -2.790 3.246 -0.404
103 HG SER 16 HG SER 16 -1.669 4.960 0.130
104 H GLN 17 H GLN 17 -2.528 3.636 -4.392
105 HA GLN 17 HA GLN 17 -0.013 3.942 -5.660
106 1HB GLN 17 HB2 GLN 17 -1.306 5.315 -7.205
107 2HB GLN 17 HB1 GLN 17 -1.869 3.798 -6.980
108 1HG GLN 17 HG2 GLN 17 -3.042 5.719 -5.295
109 2HG GLN 17 HG1 GLN 17 -3.396 5.916 -6.877
110 1HE2 GLN 17 1HE2 GLN 17 -5.259 4.918 -7.613
111 2HE2 GLN 17 2HE2 GLN 17 -5.849 3.439 -6.870
112 1HN PFF 18 H PFF 18 -0.924 5.635 -2.972
113 HA PFF 18 HA PFF 18 0.527 8.112 -3.674
114 1HBC PFF 18 HB2 PFF 18 -0.637 7.055 -1.091
115 2HBC PFF 18 HB3 PFF 18 0.037 8.669 -1.303
116 HD1 PFF 18 HD1 PFF 18 -1.084 10.023 -3.371
117 HD2 PFF 18 HD2 PFF 18 -2.937 6.703 -1.340
118 HE1 PFF 18 HE1 PFF 18 -3.247 10.546 -4.477
119 HE2 PFF 18 HE2 PFF 18 -5.091 7.225 -2.456
120 H GLY 19 H GLY 19 1.420 4.921 -2.978
121 1HA GLY 19 HA3 GLY 19 3.636 4.184 -2.723
122 2HA GLY 19 HA2 GLY 19 4.148 5.808 -2.245
123 1HN PFF 20 H PFF 20 1.308 4.609 -0.603
124 HA PFF 20 HA PFF 20 2.935 4.168 1.836
125 1HBC PFF 20 HB2 PFF 20 0.141 5.270 1.422
126 2HBC PFF 20 HB3 PFF 20 0.959 5.114 2.967
127 HD1 PFF 20 HD1 PFF 20 3.623 6.168 2.524
128 HD2 PFF 20 HD2 PFF 20 -0.128 7.578 0.966
129 HE1 PFF 20 HE1 PFF 20 4.479 8.495 2.577
130 HE2 PFF 20 HE2 PFF 20 0.765 9.889 0.922
131 H CYS 21 H CYS 21 2.261 2.462 3.279
132 HA CYS 21 HA CYS 21 0.389 0.493 2.015
133 1HB CYS 21 HB2 CYS 21 2.089 -0.683 1.348
134 2HB CYS 21 HB1 CYS 21 3.179 0.297 2.067
135 H GLY 22 H GLY 22 -0.410 -1.147 3.173
136 1HA GLY 22 HA3 GLY 22 -0.044 -1.870 5.846
137 2HA GLY 22 HA2 GLY 22 -1.260 -0.569 5.850
138 H LYS 23 H LYS 23 -2.349 -2.863 6.655
139 HA LYS 23 HA LYS 23 -3.509 -4.175 4.254
140 1HB LYS 23 HB2 LYS 23 -2.662 -5.424 6.280
141 2HB LYS 23 HB1 LYS 23 -4.034 -4.968 7.039
142 1HG LYS 23 HG2 LYS 23 -5.352 -6.156 5.548
143 2HG LYS 23 HG1 LYS 23 -4.091 -6.399 4.538
144 1HD LYS 23 HD2 LYS 23 -3.063 -7.796 6.195
145 2HD LYS 23 HD1 LYS 23 -4.369 -7.591 7.155
146 1HE LYS 23 HE2 LYS 23 -4.507 -9.674 6.015
147 2HE LYS 23 HE1 LYS 23 -5.731 -8.697 5.553
148 1HZ LYS 23 HZ1 LYS 23 -3.298 -8.918 4.056
149 2HZ LYS 23 HZ2 LYS 23 -4.629 -9.842 3.713
150 3HZ LYS 23 HZ3 LYS 23 -4.671 -8.200 3.560
151 H GLY 24 H GLY 24 -4.263 -1.530 5.851
152 1HA GLY 24 HA3 GLY 24 -7.082 -1.890 6.367
153 2HA GLY 24 HA2 GLY 24 -6.251 -0.332 6.313
154 HA PRO 25 HA PRO 25 -9.274 -1.424 2.662
155 1HB PRO 25 HB2 PRO 25 -10.499 1.020 3.790
156 2HB PRO 25 HB1 PRO 25 -11.225 -0.212 3.002
157 1HG PRO 25 HG2 PRO 25 -11.304 -0.216 5.583
158 2HG PRO 25 HG1 PRO 25 -11.031 -1.636 4.824
159 1HD PRO 25 HD2 PRO 25 -9.106 0.053 6.129
160 2HD PRO 25 HD1 PRO 25 -9.123 -1.579 6.077
161 H LYS 26 H LYS 26 -8.189 1.901 3.675
162 HA LYS 26 HA LYS 26 -8.030 2.773 0.957
163 1HB LYS 26 HB2 LYS 26 -6.862 3.954 3.391
164 2HB LYS 26 HB1 LYS 26 -6.997 4.712 1.951
165 1HG LYS 26 HG2 LYS 26 -9.456 4.185 2.204
166 2HG LYS 26 HG1 LYS 26 -9.088 4.046 3.789
167 1HD LYS 26 HD2 LYS 26 -9.549 6.206 3.838
168 2HD LYS 26 HD1 LYS 26 -8.019 6.363 3.290
169 1HE LYS 26 HE2 LYS 26 -10.363 6.336 1.612
170 2HE LYS 26 HE1 LYS 26 -9.510 7.676 1.990
171 1HZ LYS 26 HZ1 LYS 26 -8.915 7.013 -0.154
172 2HZ LYS 26 HZ2 LYS 26 -7.639 6.809 0.817
173 3HZ LYS 26 HZ3 LYS 26 -8.586 5.498 0.349
174 H TYR 27 H TYR 27 -5.804 0.831 2.724
175 HA TYR 27 HA TYR 27 -3.523 1.558 0.943
176 1HB TYR 27 HB2 TYR 27 -3.851 -0.483 3.058
177 2HB TYR 27 HB1 TYR 27 -2.477 -0.242 2.210
178 HD1 TYR 27 HD1 TYR 27 -1.473 2.185 2.250
179 HD2 TYR 27 HD2 TYR 27 -4.251 0.608 5.121
180 HE1 TYR 27 HE1 TYR 27 -0.607 3.782 3.968
181 HE2 TYR 27 HE2 TYR 27 -3.458 2.298 6.796
182 HH TYR 27 HH TYR 27 -0.967 4.696 5.998
183 H CYS 28 H CYS 28 -5.849 -1.041 1.618
184 HA CYS 28 HA CYS 28 -4.742 -2.636 -0.560
185 1HB CYS 28 HB2 CYS 28 -5.491 -3.255 1.819
186 2HB CYS 28 HB1 CYS 28 -6.961 -3.450 1.136
187 H GLY 29 H GLY 29 -8.065 -1.415 0.189
188 1HA GLY 29 HA3 GLY 29 -8.885 -2.040 -2.618
189 2HA GLY 29 HA2 GLY 29 -9.956 -1.696 -1.264
190 H ARG 30 H ARG 30 -7.787 0.583 -0.766
191 HA ARG 30 HA ARG 30 -7.337 2.773 -1.316
192 1HB ARG 30 HB2 ARG 30 -8.789 2.296 -3.835
193 2HB ARG 30 HB1 ARG 30 -8.105 3.722 -3.427
194 1HG ARG 30 HG2 ARG 30 -6.448 2.949 -4.640
195 2HG ARG 30 HG1 ARG 30 -6.029 2.238 -3.230
196 1HD ARG 30 HD2 ARG 30 -7.722 0.599 -4.684
197 2HD ARG 30 HD1 ARG 30 -6.397 0.983 -5.559
198 HE ARG 30 HE ARG 30 -6.491 -0.923 -3.516
199 1HH1 ARG 30 2HH2 ARG 30 -4.198 1.533 -4.687
200 2HH1 ARG 30 1HH2 ARG 30 -2.868 0.626 -4.047
201 1HH2 ARG 30 2HH1 ARG 30 -4.735 -1.897 -2.741
202 2HH2 ARG 30 1HH1 ARG 30 -3.159 -1.223 -2.996
203 1HN NH2 31 1HN NH2 31 -10.706 1.880 -2.187
204 2HN NH2 31 2HN NH2 31 -11.436 3.167 -1.221
205 H1 NAG 32 H1 NAG 32 -9.395 12.714 -2.468
206 H2 NAG 32 H2 NAG 32 -7.888 10.345 -3.605
207 H3 NAG 32 H3 NAG 32 -7.891 11.230 -0.688
208 H4 NAG 32 H4 NAG 32 -5.667 11.510 -2.776
209 H5 NAG 32 H5 NAG 32 -7.509 13.601 -1.561
210 1H6 NAG 32 1H6 NAG 32 -6.256 15.022 -3.382
211 2H6 NAG 32 2H6 NAG 32 -4.918 13.903 -3.085
212 1H8 NAG 32 1H8 NAG 32 -11.914 9.225 -1.260
213 2H8 NAG 32 2H8 NAG 32 -11.747 8.505 -2.888
214 3H8 NAG 32 3H8 NAG 32 -11.427 7.522 -1.444
215 HN2 NAG 32 HN2 NAG 32 -10.495 10.536 -2.842
216 HO1 NAG 32 HO1 NAG 32 -9.102 12.846 -4.928
217 HO3 NAG 32 HO3 NAG 32 -7.549 8.981 -1.595
218 HO6 NAG 32 HO6 NAG 32 -4.695 14.767 -1.115
219 H1 NAG 33 H1 NAG 33 -4.215 10.485 -1.280
220 H2 NAG 33 H2 NAG 33 -3.445 12.477 0.860
221 H3 NAG 33 H3 NAG 33 -1.914 9.954 0.203
222 H4 NAG 33 H4 NAG 33 -3.607 10.361 2.719
223 H5 NAG 33 H5 NAG 33 -4.056 8.717 0.181
224 1H6 NAG 33 1H6 NAG 33 -5.870 8.995 2.605
225 2H6 NAG 33 2H6 NAG 33 -4.992 7.522 2.125
226 1H8 NAG 33 1H8 NAG 33 -1.348 14.993 -2.458
227 2H8 NAG 33 2H8 NAG 33 -0.248 13.721 -1.874
228 3H8 NAG 33 3H8 NAG 33 -1.409 13.372 -3.197
229 HN2 NAG 33 HN2 NAG 33 -1.572 11.692 -1.330
230 HO3 NAG 33 HO3 NAG 33 -1.024 10.640 2.272
231 HO6 NAG 33 HO6 NAG 33 -6.504 8.892 0.219
232 H1 NAG 34 H1 NAG 34 -2.760 8.847 4.321
233 H2 NAG 34 H2 NAG 34 -0.742 6.951 3.050
234 H3 NAG 34 H3 NAG 34 -1.290 7.426 5.986
235 H4 NAG 34 H4 NAG 34 1.124 8.078 4.184
236 H5 NAG 34 H5 NAG 34 -0.905 9.786 5.695
237 1H6 NAG 34 1H6 NAG 34 0.310 11.701 4.817
238 2H6 NAG 34 2H6 NAG 34 1.444 10.651 3.955
239 1H8 NAG 34 1H8 NAG 34 -4.928 5.415 3.381
240 2H8 NAG 34 2H8 NAG 34 -4.499 4.499 1.907
241 3H8 NAG 34 3H8 NAG 34 -4.016 3.879 3.513
242 HN2 NAG 34 HN2 NAG 34 -3.036 6.001 4.698
243 HO4 NAG 34 HO4 NAG 34 1.681 8.996 6.392
244 HO3 NAG 34 HO3 NAG 34 0.818 6.339 5.888
245 HO6 NAG 34 HO6 NAG 34 2.214 11.509 5.978
Start of MODEL 6
1 1H VAL 1 H1 VAL 1 5.080 5.950 8.815
2 2H VAL 1 H2 VAL 1 3.858 5.797 7.691
3 3H VAL 1 H3 VAL 1 5.394 5.435 7.272
4 HA VAL 1 HA VAL 1 5.506 3.557 8.631
5 HB VAL 1 HB VAL 1 3.466 2.754 9.797
6 1HG1 VAL 1 1HG1 VAL 1 3.793 4.109 11.773
7 2HG1 VAL 1 2HG1 VAL 1 5.351 3.878 10.969
8 3HG1 VAL 1 3HG1 VAL 1 4.496 5.433 10.835
9 1HG2 VAL 1 1HG2 VAL 1 2.408 5.606 9.417
10 2HG2 VAL 1 2HG2 VAL 1 1.713 4.135 8.697
11 3HG2 VAL 1 3HG2 VAL 1 1.716 4.347 10.446
12 H GLY 2 H GLY 2 5.239 1.681 7.454
13 1HA GLY 2 HA3 GLY 2 4.233 0.240 5.907
14 2HA GLY 2 HA2 GLY 2 2.930 1.397 5.652
15 H GLU 3 H GLU 3 5.891 3.076 5.293
16 HA GLU 3 HA GLU 3 5.834 3.605 2.599
17 1HB GLU 3 HB2 GLU 3 8.039 3.414 4.513
18 2HB GLU 3 HB1 GLU 3 8.320 3.844 2.962
19 1HG GLU 3 HG2 GLU 3 8.104 5.777 4.282
20 2HG GLU 3 HG1 GLU 3 6.871 5.705 3.213
21 H CYS 4 H CYS 4 5.344 2.119 1.102
22 HA CYS 4 HA CYS 4 6.466 -0.503 0.992
23 1HB CYS 4 HB2 CYS 4 5.272 1.094 -1.200
24 2HB CYS 4 HB1 CYS 4 5.448 -0.530 -1.188
25 H VAL 5 H VAL 5 7.744 -1.405 -0.733
26 HA VAL 5 HA VAL 5 10.026 0.236 -1.596
27 HB VAL 5 HB VAL 5 10.214 -2.087 -0.811
28 1HG1 VAL 5 1HG1 VAL 5 9.300 -3.037 -3.545
29 2HG1 VAL 5 2HG1 VAL 5 9.843 -3.988 -2.162
30 3HG1 VAL 5 3HG1 VAL 5 8.312 -3.112 -2.072
31 1HG2 VAL 5 1HG2 VAL 5 11.368 -1.567 -3.579
32 2HG2 VAL 5 2HG2 VAL 5 12.019 -0.957 -2.042
33 3HG2 VAL 5 3HG2 VAL 5 11.994 -2.699 -2.368
34 H ARG 6 H ARG 6 7.990 1.476 -2.446
35 HA ARG 6 HA ARG 6 6.796 2.411 -4.141
36 1HB ARG 6 HB2 ARG 6 9.020 1.494 -5.859
37 2HB ARG 6 HB1 ARG 6 7.991 2.719 -6.185
38 1HG ARG 6 HG2 ARG 6 9.968 2.729 -4.089
39 2HG ARG 6 HG1 ARG 6 10.064 3.587 -5.476
40 1HD ARG 6 HD2 ARG 6 9.371 5.182 -4.063
41 2HD ARG 6 HD1 ARG 6 7.935 4.658 -4.638
42 HE ARG 6 HE ARG 6 8.877 3.454 -2.190
43 1HH1 ARG 6 2HH2 ARG 6 6.680 5.845 -3.535
44 2HH1 ARG 6 1HH2 ARG 6 5.685 5.838 -2.117
45 1HH2 ARG 6 2HH1 ARG 6 7.515 3.373 -0.503
46 2HH2 ARG 6 1HH1 ARG 6 6.156 4.443 -0.409
47 H GLY 7 H GLY 7 6.087 -0.030 -3.403
48 1HA GLY 7 HA3 GLY 7 3.842 -0.474 -4.813
49 2HA GLY 7 HA2 GLY 7 4.953 -1.412 -5.805
50 H ARG 8 H ARG 8 6.442 -2.358 -3.264
51 HA ARG 8 HA ARG 8 4.327 -4.149 -2.164
52 1HB ARG 8 HB2 ARG 8 6.301 -4.880 -3.859
53 2HB ARG 8 HB1 ARG 8 6.968 -5.252 -2.416
54 1HG ARG 8 HG2 ARG 8 5.971 -7.187 -3.035
55 2HG ARG 8 HG1 ARG 8 4.901 -6.539 -1.985
56 1HD ARG 8 HD2 ARG 8 4.628 -6.405 -4.853
57 2HD ARG 8 HD1 ARG 8 3.808 -7.451 -3.903
58 HE ARG 8 HE ARG 8 3.290 -4.635 -4.208
59 1HH1 ARG 8 2HH2 ARG 8 2.361 -7.463 -2.303
60 2HH1 ARG 8 1HH2 ARG 8 1.232 -6.523 -1.386
61 1HH2 ARG 8 2HH1 ARG 8 2.011 -3.536 -2.924
62 2HH2 ARG 8 1HH1 ARG 8 1.041 -4.332 -1.731
63 H CYS 9 H CYS 9 5.077 -5.459 -0.270
64 HA CYS 9 HA CYS 9 6.525 -3.957 1.775
65 1HB CYS 9 HB2 CYS 9 3.667 -3.866 1.360
66 2HB CYS 9 HB1 CYS 9 4.070 -4.361 2.864
67 HA PRO 10 HA PRO 10 6.567 -8.101 3.583
68 1HB PRO 10 HB2 PRO 10 5.895 -7.675 6.147
69 2HB PRO 10 HB1 PRO 10 7.378 -7.300 5.574
70 1HG PRO 10 HG2 PRO 10 5.152 -5.485 5.968
71 2HG PRO 10 HG1 PRO 10 6.711 -5.233 6.385
72 1HD PRO 10 HD2 PRO 10 5.819 -4.229 4.162
73 2HD PRO 10 HD1 PRO 10 7.346 -4.805 4.221
74 H SER 11 H SER 11 5.086 -9.565 4.999
75 HA SER 11 HA SER 11 3.387 -11.018 4.405
76 1HB SER 11 HB2 SER 11 2.344 -8.748 5.975
77 2HB SER 11 HB1 SER 11 1.583 -10.190 5.872
78 HG SER 11 HG SER 11 2.901 -10.159 7.686
79 H GLY 12 H GLY 12 3.749 -9.630 2.204
80 1HA GLY 12 HA3 GLY 12 2.856 -9.209 0.097
81 2HA GLY 12 HA2 GLY 12 1.457 -10.142 0.625
82 H MET 13 H MET 13 1.972 -7.271 2.540
83 HA MET 13 HA MET 13 -0.709 -6.689 2.298
84 1HB MET 13 HB2 MET 13 1.496 -4.883 3.079
85 2HB MET 13 HB1 MET 13 -0.078 -4.498 3.284
86 1HG MET 13 HG2 MET 13 1.068 -6.877 4.422
87 2HG MET 13 HG1 MET 13 1.010 -5.469 5.247
88 1HE MET 13 HE1 MET 13 -0.182 -8.451 6.008
89 2HE MET 13 HE2 MET 13 -0.042 -7.101 7.162
90 3HE MET 13 HE3 MET 13 -1.605 -7.922 6.931
91 H CYS 14 H CYS 14 -1.775 -4.554 1.719
92 HA CYS 14 HA CYS 14 -1.307 -4.171 -1.204
93 1HB CYS 14 HB2 CYS 14 -3.410 -2.885 0.380
94 2HB CYS 14 HB1 CYS 14 -3.366 -3.145 -1.232
95 H CYS 15 H CYS 15 -0.641 -2.126 -2.027
96 HA CYS 15 HA CYS 15 0.132 -0.060 -0.046
97 1HB CYS 15 HB2 CYS 15 1.043 -0.631 -2.793
98 2HB CYS 15 HB1 CYS 15 1.492 0.690 -1.944
99 H SER 16 H SER 16 -0.935 1.907 -0.137
100 HA SER 16 HA SER 16 -2.828 2.591 -2.272
101 1HB SER 16 HB2 SER 16 -2.682 4.780 -1.237
102 2HB SER 16 HB1 SER 16 -2.996 3.658 -0.093
103 HG SER 16 HG SER 16 -1.455 4.808 0.848
104 H GLN 17 H GLN 17 -2.281 4.205 -3.888
105 HA GLN 17 HA GLN 17 0.188 3.435 -5.073
106 1HB GLN 17 HB2 GLN 17 -2.085 5.071 -5.913
107 2HB GLN 17 HB1 GLN 17 -0.750 5.011 -6.852
108 1HG GLN 17 HG2 GLN 17 -2.521 3.337 -7.344
109 2HG GLN 17 HG1 GLN 17 -0.992 2.771 -7.249
110 1HE2 GLN 17 1HE2 GLN 17 -0.553 0.991 -5.904
111 2HE2 GLN 17 2HE2 GLN 17 -1.596 0.649 -4.520
112 1HN PFF 18 H PFF 18 -0.245 5.942 -2.923
113 HA PFF 18 HA PFF 18 2.075 7.538 -3.695
114 1HBC PFF 18 HB2 PFF 18 0.982 6.917 -0.969
115 2HBC PFF 18 HB3 PFF 18 1.914 8.353 -1.419
116 HD1 PFF 18 HD1 PFF 18 0.672 9.823 -3.337
117 HD2 PFF 18 HD2 PFF 18 -1.316 7.001 -0.754
118 HE1 PFF 18 HE1 PFF 18 -1.534 10.676 -4.091
119 HE2 PFF 18 HE2 PFF 18 -3.516 7.841 -1.537
120 H GLY 19 H GLY 19 1.639 4.296 -2.676
121 1HA GLY 19 HA3 GLY 19 3.197 2.625 -2.400
122 2HA GLY 19 HA2 GLY 19 4.494 3.814 -2.323
123 1HN PFF 20 H PFF 20 1.498 3.402 -0.362
124 HA PFF 20 HA PFF 20 3.178 2.865 2.041
125 1HBC PFF 20 HB2 PFF 20 0.596 4.449 1.875
126 2HBC PFF 20 HB3 PFF 20 1.642 4.199 3.262
127 HD1 PFF 20 HD1 PFF 20 4.277 4.858 2.474
128 HD2 PFF 20 HD2 PFF 20 0.604 6.711 1.261
129 HE1 PFF 20 HE1 PFF 20 5.502 6.986 1.999
130 HE2 PFF 20 HE2 PFF 20 1.820 8.857 0.930
131 H CYS 21 H CYS 21 2.456 0.992 3.183
132 HA CYS 21 HA CYS 21 -0.008 -0.210 2.053
133 1HB CYS 21 HB2 CYS 21 1.085 -2.295 2.472
134 2HB CYS 21 HB1 CYS 21 2.084 -1.339 1.602
135 H GLY 22 H GLY 22 -1.140 -1.866 3.124
136 1HA GLY 22 HA3 GLY 22 -0.783 -2.825 5.644
137 2HA GLY 22 HA2 GLY 22 -1.660 -1.325 5.978
138 H LYS 23 H LYS 23 -2.711 -3.737 6.721
139 HA LYS 23 HA LYS 23 -4.572 -4.796 4.763
140 1HB LYS 23 HB2 LYS 23 -3.567 -5.983 6.726
141 2HB LYS 23 HB1 LYS 23 -4.634 -5.208 7.689
142 1HG LYS 23 HG2 LYS 23 -6.370 -6.153 6.144
143 2HG LYS 23 HG1 LYS 23 -5.195 -7.198 5.701
144 1HD LYS 23 HD2 LYS 23 -6.565 -8.168 7.368
145 2HD LYS 23 HD1 LYS 23 -5.039 -7.990 7.922
146 1HE LYS 23 HE2 LYS 23 -6.727 -7.382 9.545
147 2HE LYS 23 HE1 LYS 23 -5.655 -6.186 9.248
148 1HZ LYS 23 HZ1 LYS 23 -7.190 -5.091 7.872
149 2HZ LYS 23 HZ2 LYS 23 -8.264 -6.325 8.056
150 3HZ LYS 23 HZ3 LYS 23 -7.878 -5.358 9.334
151 H GLY 24 H GLY 24 -5.201 -2.265 4.491
152 1HA GLY 24 HA3 GLY 24 -7.879 -2.050 5.785
153 2HA GLY 24 HA2 GLY 24 -6.747 -0.723 6.066
154 HA PRO 25 HA PRO 25 -9.351 -0.685 2.023
155 1HB PRO 25 HB2 PRO 25 -11.102 1.272 2.687
156 2HB PRO 25 HB1 PRO 25 -11.411 -0.317 2.901
157 1HG PRO 25 HG2 PRO 25 -10.518 1.574 4.898
158 2HG PRO 25 HG1 PRO 25 -11.643 0.403 5.078
159 1HD PRO 25 HD2 PRO 25 -9.225 -0.018 5.935
160 2HD PRO 25 HD1 PRO 25 -10.064 -1.251 5.270
161 H LYS 26 H LYS 26 -8.447 2.178 4.030
162 HA LYS 26 HA LYS 26 -7.943 3.916 1.837
163 1HB LYS 26 HB2 LYS 26 -7.066 3.837 4.644
164 2HB LYS 26 HB1 LYS 26 -6.380 4.925 3.637
165 1HG LYS 26 HG2 LYS 26 -9.215 4.753 4.108
166 2HG LYS 26 HG1 LYS 26 -8.242 5.837 4.846
167 1HD LYS 26 HD2 LYS 26 -8.865 5.774 2.034
168 2HD LYS 26 HD1 LYS 26 -9.354 6.916 3.094
169 1HE LYS 26 HE2 LYS 26 -7.670 8.058 2.257
170 2HE LYS 26 HE1 LYS 26 -6.791 7.190 3.326
171 1HZ LYS 26 HZ1 LYS 26 -6.179 5.661 1.585
172 2HZ LYS 26 HZ2 LYS 26 -7.117 6.545 0.547
173 3HZ LYS 26 HZ3 LYS 26 -5.775 7.219 1.227
174 H TYR 27 H TYR 27 -6.110 1.158 2.741
175 HA TYR 27 HA TYR 27 -3.771 2.146 1.177
176 1HB TYR 27 HB2 TYR 27 -4.156 -0.227 2.887
177 2HB TYR 27 HB1 TYR 27 -2.830 0.021 1.967
178 HD1 TYR 27 HD1 TYR 27 -1.858 2.577 2.305
179 HD2 TYR 27 HD2 TYR 27 -3.916 0.166 5.207
180 HE1 TYR 27 HE1 TYR 27 -0.411 3.504 4.100
181 HE2 TYR 27 HE2 TYR 27 -2.662 1.350 7.035
182 HH TYR 27 HH TYR 27 -0.168 3.792 6.300
183 H CYS 28 H CYS 28 -6.012 -0.688 1.427
184 HA CYS 28 HA CYS 28 -4.957 -1.688 -1.067
185 1HB CYS 28 HB2 CYS 28 -5.819 -2.877 1.017
186 2HB CYS 28 HB1 CYS 28 -7.306 -2.724 0.359
187 H GLY 29 H GLY 29 -8.032 -0.172 -0.101
188 1HA GLY 29 HA3 GLY 29 -9.123 -0.262 -2.862
189 2HA GLY 29 HA2 GLY 29 -9.944 0.283 -1.402
190 H ARG 30 H ARG 30 -7.618 1.868 -0.594
191 HA ARG 30 HA ARG 30 -6.797 3.875 -0.518
192 1HB ARG 30 HB2 ARG 30 -5.491 4.578 -2.070
193 2HB ARG 30 HB1 ARG 30 -5.762 3.087 -2.679
194 1HG ARG 30 HG2 ARG 30 -7.259 5.228 -3.765
195 2HG ARG 30 HG1 ARG 30 -5.682 5.124 -4.175
196 1HD ARG 30 HD2 ARG 30 -7.764 3.273 -4.861
197 2HD ARG 30 HD1 ARG 30 -6.826 4.128 -5.889
198 HE ARG 30 HE ARG 30 -4.910 2.745 -5.190
199 1HH1 ARG 30 2HH2 ARG 30 -8.102 1.298 -4.815
200 2HH1 ARG 30 1HH2 ARG 30 -7.402 -0.206 -4.315
201 1HH2 ARG 30 2HH1 ARG 30 -4.166 0.893 -4.354
202 2HH2 ARG 30 1HH1 ARG 30 -5.249 -0.426 -4.060
203 1HN NH2 31 1HN NH2 31 -9.545 3.976 -2.789
204 2HN NH2 31 2HN NH2 31 -10.120 5.514 -2.142
205 H1 NAG 32 H1 NAG 32 -7.020 13.130 -3.312
206 H2 NAG 32 H2 NAG 32 -6.100 10.832 -2.531
207 H3 NAG 32 H3 NAG 32 -5.786 12.060 0.194
208 H4 NAG 32 H4 NAG 32 -3.573 12.020 -1.877
209 H5 NAG 32 H5 NAG 32 -4.671 14.399 -0.326
210 1H6 NAG 32 1H6 NAG 32 -2.534 14.850 -1.316
211 2H6 NAG 32 2H6 NAG 32 -3.765 15.678 -2.279
212 1H8 NAG 32 1H8 NAG 32 -10.285 10.820 -1.341
213 2H8 NAG 32 2H8 NAG 32 -10.007 9.719 0.030
214 3H8 NAG 32 3H8 NAG 32 -9.835 11.477 0.264
215 HN2 NAG 32 HN2 NAG 32 -8.328 12.384 -1.519
216 HO1 NAG 32 HO1 NAG 32 -4.476 13.392 -3.669
217 HO3 NAG 32 HO3 NAG 32 -5.927 9.827 -0.560
218 HO6 NAG 32 HO6 NAG 32 -2.171 13.458 -2.870
219 H1 NAG 33 H1 NAG 33 -2.161 10.800 -0.529
220 H2 NAG 33 H2 NAG 33 -1.228 12.420 1.859
221 H3 NAG 33 H3 NAG 33 -0.096 9.851 0.728
222 H4 NAG 33 H4 NAG 33 -1.535 10.335 3.399
223 H5 NAG 33 H5 NAG 33 -2.276 8.886 0.812
224 1H6 NAG 33 1H6 NAG 33 -3.972 9.329 3.305
225 2H6 NAG 33 2H6 NAG 33 -3.317 7.767 2.768
226 1H8 NAG 33 1H8 NAG 33 1.368 14.334 -1.183
227 2H8 NAG 33 2H8 NAG 33 2.021 12.707 -1.558
228 3H8 NAG 33 3H8 NAG 33 1.032 13.576 -2.757
229 HN2 NAG 33 HN2 NAG 33 0.890 12.638 0.574
230 HO3 NAG 33 HO3 NAG 33 1.105 10.097 2.785
231 HO6 NAG 33 HO6 NAG 33 -4.711 9.400 0.994
232 H1 NAG 34 H1 NAG 34 -0.683 8.797 4.921
233 H2 NAG 34 H2 NAG 34 0.306 6.314 3.503
234 H3 NAG 34 H3 NAG 34 0.446 6.821 6.468
235 H4 NAG 34 H4 NAG 34 2.586 6.713 4.245
236 H5 NAG 34 H5 NAG 34 1.532 8.881 6.070
237 1H6 NAG 34 1H6 NAG 34 3.839 9.219 6.153
238 2H6 NAG 34 2H6 NAG 34 3.281 10.268 4.848
239 1H8 NAG 34 1H8 NAG 34 -3.407 4.507 4.984
240 2H8 NAG 34 2H8 NAG 34 -4.159 5.998 4.335
241 3H8 NAG 34 3H8 NAG 34 -3.937 4.558 3.291
242 HN2 NAG 34 HN2 NAG 34 -1.893 6.286 5.508
243 HO4 NAG 34 HO4 NAG 34 3.993 6.491 5.781
244 HO3 NAG 34 HO3 NAG 34 1.833 4.861 5.957
245 HO6 NAG 34 HO6 NAG 34 4.843 7.875 4.703
Start of MODEL 7
1 1H VAL 1 H1 VAL 1 8.437 6.241 5.994
2 2H VAL 1 H2 VAL 1 8.791 7.544 6.961
3 3H VAL 1 H3 VAL 1 7.588 7.561 5.819
4 HA VAL 1 HA VAL 1 7.634 5.845 8.226
5 HB VAL 1 HB VAL 1 5.707 7.230 9.036
6 1HG1 VAL 1 1HG1 VAL 1 7.135 8.920 9.998
7 2HG1 VAL 1 2HG1 VAL 1 8.014 7.387 9.919
8 3HG1 VAL 1 3HG1 VAL 1 8.370 8.686 8.754
9 1HG2 VAL 1 1HG2 VAL 1 5.162 8.437 6.885
10 2HG2 VAL 1 2HG2 VAL 1 5.478 9.522 8.238
11 3HG2 VAL 1 3HG2 VAL 1 6.714 9.292 6.996
12 H GLY 2 H GLY 2 7.381 4.353 6.188
13 1HA GLY 2 HA3 GLY 2 5.766 2.467 6.514
14 2HA GLY 2 HA2 GLY 2 4.460 3.622 6.273
15 H GLU 3 H GLU 3 7.234 4.069 4.227
16 HA GLU 3 HA GLU 3 5.633 4.060 1.923
17 1HB GLU 3 HB2 GLU 3 8.551 4.108 2.276
18 2HB GLU 3 HB1 GLU 3 7.800 4.402 0.856
19 1HG GLU 3 HG2 GLU 3 8.249 6.467 1.683
20 2HG GLU 3 HG1 GLU 3 6.661 6.246 1.995
21 H CYS 4 H CYS 4 5.780 2.813 -0.034
22 HA CYS 4 HA CYS 4 6.037 -0.043 0.541
23 1HB CYS 4 HB2 CYS 4 5.398 1.157 -2.066
24 2HB CYS 4 HB1 CYS 4 4.998 -0.331 -1.522
25 H VAL 5 H VAL 5 7.132 -1.558 -0.663
26 HA VAL 5 HA VAL 5 9.847 -0.859 -1.561
27 HB VAL 5 HB VAL 5 8.410 -3.553 -1.525
28 1HG1 VAL 5 1HG1 VAL 5 10.722 -4.452 -1.629
29 2HG1 VAL 5 2HG1 VAL 5 10.368 -3.485 -3.064
30 3HG1 VAL 5 3HG1 VAL 5 11.365 -2.803 -1.760
31 1HG2 VAL 5 1HG2 VAL 5 8.594 -2.683 0.762
32 2HG2 VAL 5 2HG2 VAL 5 9.768 -3.980 0.509
33 3HG2 VAL 5 3HG2 VAL 5 10.304 -2.287 0.494
34 H ARG 6 H ARG 6 8.866 0.592 -3.118
35 HA ARG 6 HA ARG 6 8.271 1.243 -5.205
36 1HB ARG 6 HB2 ARG 6 10.316 -0.510 -5.509
37 2HB ARG 6 HB1 ARG 6 9.237 -1.116 -6.574
38 1HG ARG 6 HG2 ARG 6 9.860 1.672 -6.649
39 2HG ARG 6 HG1 ARG 6 10.869 0.611 -7.374
40 1HD ARG 6 HD2 ARG 6 8.098 0.693 -8.099
41 2HD ARG 6 HD1 ARG 6 9.167 1.706 -8.804
42 HE ARG 6 HE ARG 6 10.329 -0.134 -9.754
43 1HH1 ARG 6 2HH2 ARG 6 7.177 -1.028 -8.444
44 2HH1 ARG 6 1HH2 ARG 6 7.014 -2.347 -9.556
45 1HH2 ARG 6 2HH1 ARG 6 9.996 -1.806 -11.170
46 2HH2 ARG 6 1HH1 ARG 6 8.565 -2.775 -11.056
47 H GLY 7 H GLY 7 6.412 0.050 -3.762
48 1HA GLY 7 HA3 GLY 7 4.031 -0.032 -4.407
49 2HA GLY 7 HA2 GLY 7 4.470 -0.970 -5.825
50 H ARG 8 H ARG 8 6.292 -2.508 -3.486
51 HA ARG 8 HA ARG 8 3.997 -4.234 -2.632
52 1HB ARG 8 HB2 ARG 8 6.682 -4.859 -3.654
53 2HB ARG 8 HB1 ARG 8 6.016 -5.876 -2.564
54 1HG ARG 8 HG2 ARG 8 4.967 -5.254 -5.171
55 2HG ARG 8 HG1 ARG 8 5.534 -6.706 -4.682
56 1HD ARG 8 HD2 ARG 8 3.023 -5.498 -4.000
57 2HD ARG 8 HD1 ARG 8 3.268 -6.966 -4.673
58 HE ARG 8 HE ARG 8 4.310 -7.541 -2.397
59 1HH1 ARG 8 2HH2 ARG 8 1.296 -5.816 -2.983
60 2HH1 ARG 8 1HH2 ARG 8 0.720 -6.127 -1.379
61 1HH2 ARG 8 2HH1 ARG 8 3.526 -7.691 -0.262
62 2HH2 ARG 8 1HH1 ARG 8 1.922 -7.138 0.088
63 H CYS 9 H CYS 9 4.798 -5.701 -0.743
64 HA CYS 9 HA CYS 9 6.548 -4.548 1.206
65 1HB CYS 9 HB2 CYS 9 3.765 -3.844 1.174
66 2HB CYS 9 HB1 CYS 9 4.195 -4.546 2.584
67 HA PRO 10 HA PRO 10 6.243 -8.750 2.584
68 1HB PRO 10 HB2 PRO 10 6.511 -8.612 5.222
69 2HB PRO 10 HB1 PRO 10 7.739 -8.175 4.237
70 1HG PRO 10 HG2 PRO 10 5.858 -6.410 5.562
71 2HG PRO 10 HG1 PRO 10 7.480 -6.234 5.483
72 1HD PRO 10 HD2 PRO 10 5.945 -4.951 3.803
73 2HD PRO 10 HD1 PRO 10 7.415 -5.482 3.328
74 H SER 11 H SER 11 5.251 -10.076 4.529
75 HA SER 11 HA SER 11 3.358 -11.355 4.935
76 1HB SER 11 HB2 SER 11 3.381 -8.865 6.523
77 2HB SER 11 HB1 SER 11 2.676 -10.260 6.998
78 HG SER 11 HG SER 11 4.744 -10.153 7.844
79 H GLY 12 H GLY 12 2.593 -10.265 2.693
80 1HA GLY 12 HA3 GLY 12 0.688 -9.853 1.362
81 2HA GLY 12 HA2 GLY 12 -0.232 -10.563 2.691
82 H MET 13 H MET 13 1.697 -7.504 2.861
83 HA MET 13 HA MET 13 -0.836 -6.002 3.320
84 1HB MET 13 HB2 MET 13 1.960 -5.049 3.210
85 2HB MET 13 HB1 MET 13 0.665 -4.151 3.640
86 1HG MET 13 HG2 MET 13 0.310 -5.893 5.389
87 2HG MET 13 HG1 MET 13 1.863 -6.305 5.097
88 1HE MET 13 HE1 MET 13 3.308 -3.501 4.581
89 2HE MET 13 HE2 MET 13 3.909 -3.214 6.226
90 3HE MET 13 HE3 MET 13 3.982 -4.849 5.528
91 H CYS 14 H CYS 14 -1.104 -3.894 2.075
92 HA CYS 14 HA CYS 14 -0.474 -4.269 -0.825
93 1HB CYS 14 HB2 CYS 14 -2.915 -3.039 0.252
94 2HB CYS 14 HB1 CYS 14 -2.629 -3.551 -1.272
95 H CYS 15 H CYS 15 -0.564 -2.128 -2.020
96 HA CYS 15 HA CYS 15 0.741 -0.037 -0.337
97 1HB CYS 15 HB2 CYS 15 2.078 -1.100 -2.055
98 2HB CYS 15 HB1 CYS 15 1.043 -0.600 -3.215
99 H SER 16 H SER 16 0.048 1.991 -0.360
100 HA SER 16 HA SER 16 -2.643 2.661 -1.115
101 1HB SER 16 HB2 SER 16 -1.537 3.581 0.805
102 2HB SER 16 HB1 SER 16 -0.376 4.279 -0.108
103 HG SER 16 HG SER 16 -2.088 5.624 0.706
104 H GLN 17 H GLN 17 -2.689 5.052 -1.919
105 HA GLN 17 HA GLN 17 -1.546 5.201 -4.659
106 1HB GLN 17 HB2 GLN 17 -3.633 6.864 -3.350
107 2HB GLN 17 HB1 GLN 17 -3.186 6.956 -4.919
108 1HG GLN 17 HG2 GLN 17 -5.084 5.766 -5.086
109 2HG GLN 17 HG1 GLN 17 -3.976 4.567 -5.018
110 1HE2 GLN 17 1HE2 GLN 17 -4.021 3.017 -3.314
111 2HE2 GLN 17 2HE2 GLN 17 -5.093 3.255 -1.935
112 1HN PFF 18 H PFF 18 -1.290 6.378 -1.386
113 HA PFF 18 HA PFF 18 0.368 8.700 -2.186
114 1HBC PFF 18 HB2 PFF 18 -0.519 7.664 0.528
115 2HBC PFF 18 HB3 PFF 18 0.404 9.140 0.248
116 HD1 PFF 18 HD1 PFF 18 -0.593 10.992 -1.188
117 HD2 PFF 18 HD2 PFF 18 -2.924 7.686 0.308
118 HE1 PFF 18 HE1 PFF 18 -2.678 12.255 -1.637
119 HE2 PFF 18 HE2 PFF 18 -5.006 8.969 -0.121
120 H GLY 19 H GLY 19 1.066 5.528 -2.170
121 1HA GLY 19 HA3 GLY 19 3.192 4.633 -2.454
122 2HA GLY 19 HA2 GLY 19 3.903 6.092 -1.775
123 1HN PFF 20 H PFF 20 1.584 4.834 0.415
124 HA PFF 20 HA PFF 20 3.697 3.489 2.006
125 1HBC PFF 20 HB2 PFF 20 1.065 4.751 2.816
126 2HBC PFF 20 HB3 PFF 20 2.292 4.121 3.898
127 HD1 PFF 20 HD1 PFF 20 1.413 6.869 1.608
128 HD2 PFF 20 HD2 PFF 20 4.371 5.397 4.344
129 HE1 PFF 20 HE1 PFF 20 2.284 9.181 1.904
130 HE2 PFF 20 HE2 PFF 20 5.261 7.691 4.617
131 H CYS 21 H CYS 21 3.061 1.669 3.375
132 HA CYS 21 HA CYS 21 1.162 -0.085 1.913
133 1HB CYS 21 HB2 CYS 21 3.284 -0.664 3.871
134 2HB CYS 21 HB1 CYS 21 2.319 -1.806 3.214
135 H GLY 22 H GLY 22 -0.405 -1.411 2.898
136 1HA GLY 22 HA3 GLY 22 -0.477 -1.901 5.694
137 2HA GLY 22 HA2 GLY 22 -1.677 -0.646 5.326
138 H LYS 23 H LYS 23 -2.843 -2.768 6.280
139 HA LYS 23 HA LYS 23 -3.884 -4.324 3.944
140 1HB LYS 23 HB2 LYS 23 -4.133 -4.817 6.854
141 2HB LYS 23 HB1 LYS 23 -4.891 -5.709 5.715
142 1HG LYS 23 HG2 LYS 23 -2.797 -6.423 4.858
143 2HG LYS 23 HG1 LYS 23 -2.019 -5.497 5.955
144 1HD LYS 23 HD2 LYS 23 -2.964 -6.806 7.719
145 2HD LYS 23 HD1 LYS 23 -3.718 -7.742 6.613
146 1HE LYS 23 HE2 LYS 23 -0.853 -7.509 6.656
147 2HE LYS 23 HE1 LYS 23 -1.619 -8.650 7.539
148 1HZ LYS 23 HZ1 LYS 23 -0.816 -9.488 5.470
149 2HZ LYS 23 HZ2 LYS 23 -2.456 -9.643 5.590
150 3HZ LYS 23 HZ3 LYS 23 -1.787 -8.460 4.662
151 H GLY 24 H GLY 24 -4.545 -1.521 5.240
152 1HA GLY 24 HA3 GLY 24 -7.443 -1.780 5.698
153 2HA GLY 24 HA2 GLY 24 -6.513 -0.275 5.741
154 HA PRO 25 HA PRO 25 -9.247 -1.153 1.903
155 1HB PRO 25 HB2 PRO 25 -10.762 1.109 2.150
156 2HB PRO 25 HB1 PRO 25 -11.208 -0.367 2.688
157 1HG PRO 25 HG2 PRO 25 -10.074 1.790 4.234
158 2HG PRO 25 HG1 PRO 25 -11.254 0.757 4.690
159 1HD PRO 25 HD2 PRO 25 -8.832 0.349 5.525
160 2HD PRO 25 HD1 PRO 25 -9.764 -0.934 5.135
161 H LYS 26 H LYS 26 -8.153 2.170 2.896
162 HA LYS 26 HA LYS 26 -7.614 3.014 0.225
163 1HB LYS 26 HB2 LYS 26 -6.589 3.923 2.845
164 2HB LYS 26 HB1 LYS 26 -6.209 4.677 1.447
165 1HG LYS 26 HG2 LYS 26 -8.850 4.464 2.577
166 2HG LYS 26 HG1 LYS 26 -7.973 5.836 2.458
167 1HD LYS 26 HD2 LYS 26 -9.275 4.429 0.313
168 2HD LYS 26 HD1 LYS 26 -9.531 5.976 0.770
169 1HE LYS 26 HE2 LYS 26 -7.405 6.596 -0.045
170 2HE LYS 26 HE1 LYS 26 -7.081 5.044 -0.437
171 1HZ LYS 26 HZ1 LYS 26 -8.939 5.158 -2.007
172 2HZ LYS 26 HZ2 LYS 26 -8.945 6.790 -1.747
173 3HZ LYS 26 HZ3 LYS 26 -7.606 6.023 -2.373
174 H TYR 27 H TYR 27 -5.746 0.847 2.208
175 HA TYR 27 HA TYR 27 -3.257 1.383 0.677
176 1HB TYR 27 HB2 TYR 27 -3.922 -0.620 2.742
177 2HB TYR 27 HB1 TYR 27 -2.450 -0.435 2.059
178 HD1 TYR 27 HD1 TYR 27 -1.201 1.750 2.315
179 HD2 TYR 27 HD2 TYR 27 -4.667 0.712 4.618
180 HE1 TYR 27 HE1 TYR 27 -0.421 3.253 4.156
181 HE2 TYR 27 HE2 TYR 27 -3.943 2.313 6.410
182 HH TYR 27 HH TYR 27 -0.849 4.025 6.244
183 H CYS 28 H CYS 28 -5.776 -1.114 1.076
184 HA CYS 28 HA CYS 28 -4.606 -2.560 -1.215
185 1HB CYS 28 HB2 CYS 28 -5.228 -3.440 1.096
186 2HB CYS 28 HB1 CYS 28 -6.731 -3.590 0.475
187 H GLY 29 H GLY 29 -8.095 -2.248 -0.354
188 1HA GLY 29 HA3 GLY 29 -8.799 -2.734 -3.116
189 2HA GLY 29 HA2 GLY 29 -9.909 -2.380 -1.794
190 H ARG 30 H ARG 30 -8.201 0.124 -1.398
191 HA ARG 30 HA ARG 30 -8.188 2.283 -1.728
192 1HB ARG 30 HB2 ARG 30 -7.206 2.950 -3.744
193 2HB ARG 30 HB1 ARG 30 -6.533 1.572 -3.181
194 1HG ARG 30 HG2 ARG 30 -7.959 0.457 -4.925
195 2HG ARG 30 HG1 ARG 30 -8.002 1.943 -5.601
196 1HD ARG 30 HD2 ARG 30 -6.190 0.782 -6.553
197 2HD ARG 30 HD1 ARG 30 -5.576 1.954 -5.595
198 HE ARG 30 HE ARG 30 -5.913 -0.701 -4.466
199 1HH1 ARG 30 2HH2 ARG 30 -3.573 1.878 -5.173
200 2HH1 ARG 30 1HH2 ARG 30 -2.462 1.211 -4.024
201 1HH2 ARG 30 2HH1 ARG 30 -4.484 -1.406 -3.102
202 2HH2 ARG 30 1HH1 ARG 30 -2.968 -0.599 -2.882
203 1HN NH2 31 1HN NH2 31 -11.610 2.589 -3.800
204 2HN NH2 31 2HN NH2 31 -10.788 1.034 -3.775
205 H1 NAG 32 H1 NAG 32 -6.386 16.395 2.181
206 H2 NAG 32 H2 NAG 32 -6.507 14.023 0.273
207 H3 NAG 32 H3 NAG 32 -5.404 14.087 3.108
208 H4 NAG 32 H4 NAG 32 -3.914 13.675 0.501
209 H5 NAG 32 H5 NAG 32 -3.993 16.161 2.260
210 1H6 NAG 32 1H6 NAG 32 -1.840 15.973 1.205
211 2H6 NAG 32 2H6 NAG 32 -2.775 17.185 0.326
212 1H8 NAG 32 1H8 NAG 32 -9.666 12.748 3.328
213 2H8 NAG 32 2H8 NAG 32 -9.761 14.036 4.555
214 3H8 NAG 32 3H8 NAG 32 -10.362 14.349 2.906
215 HN2 NAG 32 HN2 NAG 32 -8.553 13.577 1.304
216 HO1 NAG 32 HO1 NAG 32 -6.747 16.971 -0.267
217 HO3 NAG 32 HO3 NAG 32 -4.906 12.010 2.564
218 HO6 NAG 32 HO6 NAG 32 -1.955 14.618 -0.458
219 H1 NAG 33 H1 NAG 33 -2.441 12.081 1.334
220 H2 NAG 33 H2 NAG 33 -1.148 12.848 3.979
221 H3 NAG 33 H3 NAG 33 -0.437 10.587 2.084
222 H4 NAG 33 H4 NAG 33 -1.646 10.508 4.880
223 H5 NAG 33 H5 NAG 33 -2.934 9.963 2.183
224 1H6 NAG 33 1H6 NAG 33 -3.868 8.502 3.888
225 2H6 NAG 33 2H6 NAG 33 -5.025 9.781 3.506
226 1H8 NAG 33 1H8 NAG 33 2.141 13.658 0.701
227 2H8 NAG 33 2H8 NAG 33 1.194 14.614 -0.465
228 3H8 NAG 33 3H8 NAG 33 1.431 15.231 1.189
229 HN2 NAG 33 HN2 NAG 33 0.848 13.447 2.785
230 HO3 NAG 33 HO3 NAG 33 0.820 10.034 3.913
231 HO6 NAG 33 HO6 NAG 33 -4.318 10.868 5.390
232 H1 NAG 34 H1 NAG 34 -1.439 8.390 5.787
233 H2 NAG 34 H2 NAG 34 0.187 6.576 3.966
234 H3 NAG 34 H3 NAG 34 -0.406 6.436 6.955
235 H4 NAG 34 H4 NAG 34 2.183 7.014 5.438
236 H5 NAG 34 H5 NAG 34 0.417 8.718 7.250
237 1H6 NAG 34 1H6 NAG 34 3.035 9.345 5.799
238 2H6 NAG 34 2H6 NAG 34 2.736 9.445 7.542
239 1H8 NAG 34 1H8 NAG 34 -3.564 4.090 3.111
240 2H8 NAG 34 2H8 NAG 34 -4.087 5.106 4.487
241 3H8 NAG 34 3H8 NAG 34 -4.322 5.675 2.816
242 HN2 NAG 34 HN2 NAG 34 -2.169 5.502 5.424
243 HO4 NAG 34 HO4 NAG 34 3.167 6.493 7.283
244 HO3 NAG 34 HO3 NAG 34 1.384 4.965 6.711
245 HO6 NAG 34 HO6 NAG 34 1.429 10.986 5.507
Start of MODEL 8
1 1H VAL 1 H1 VAL 1 5.334 9.086 5.334
2 2H VAL 1 H2 VAL 1 3.849 8.345 5.456
3 3H VAL 1 H3 VAL 1 5.037 7.729 4.456
4 HA VAL 1 HA VAL 1 6.363 7.001 6.098
5 HB VAL 1 HB VAL 1 6.169 8.916 7.580
6 1HG1 VAL 1 1HG1 VAL 1 3.516 7.736 8.517
7 2HG1 VAL 1 2HG1 VAL 1 4.416 9.035 9.307
8 3HG1 VAL 1 3HG1 VAL 1 3.758 9.301 7.696
9 1HG2 VAL 1 1HG2 VAL 1 7.161 6.767 8.364
10 2HG2 VAL 1 2HG2 VAL 1 6.484 7.760 9.660
11 3HG2 VAL 1 3HG2 VAL 1 5.592 6.342 9.100
12 H GLY 2 H GLY 2 6.082 4.932 7.076
13 1HA GLY 2 HA3 GLY 2 4.992 2.838 7.040
14 2HA GLY 2 HA2 GLY 2 3.427 3.652 6.825
15 H GLU 3 H GLU 3 6.528 2.964 5.151
16 HA GLU 3 HA GLU 3 5.328 3.689 2.543
17 1HB GLU 3 HB2 GLU 3 8.096 2.906 3.222
18 2HB GLU 3 HB1 GLU 3 7.590 3.571 1.818
19 1HG GLU 3 HG2 GLU 3 7.666 4.914 4.371
20 2HG GLU 3 HG1 GLU 3 8.641 5.236 3.101
21 H CYS 4 H CYS 4 5.248 2.254 0.757
22 HA CYS 4 HA CYS 4 5.907 -0.630 1.252
23 1HB CYS 4 HB2 CYS 4 4.819 0.857 -1.061
24 2HB CYS 4 HB1 CYS 4 5.407 -0.659 -1.206
25 H VAL 5 H VAL 5 7.477 -1.416 -0.564
26 HA VAL 5 HA VAL 5 9.844 0.323 -0.819
27 HB VAL 5 HB VAL 5 9.249 -2.339 -2.167
28 1HG1 VAL 5 1HG1 VAL 5 11.884 -0.909 -1.492
29 2HG1 VAL 5 2HG1 VAL 5 11.745 -2.515 -2.235
30 3HG1 VAL 5 3HG1 VAL 5 11.226 -1.088 -3.130
31 1HG2 VAL 5 1HG2 VAL 5 10.632 -3.328 -0.335
32 2HG2 VAL 5 2HG2 VAL 5 10.590 -1.764 0.503
33 3HG2 VAL 5 3HG2 VAL 5 9.095 -2.688 0.243
34 H ARG 6 H ARG 6 7.854 1.690 -1.610
35 HA ARG 6 HA ARG 6 6.357 2.517 -3.072
36 1HB ARG 6 HB2 ARG 6 9.016 3.252 -3.839
37 2HB ARG 6 HB1 ARG 6 7.923 3.504 -5.025
38 1HG ARG 6 HG2 ARG 6 7.999 5.440 -3.707
39 2HG ARG 6 HG1 ARG 6 6.556 4.717 -3.457
40 1HD ARG 6 HD2 ARG 6 7.544 3.761 -1.423
41 2HD ARG 6 HD1 ARG 6 8.778 4.808 -1.641
42 HE ARG 6 HE ARG 6 7.088 5.610 0.023
43 1HH1 ARG 6 2HH1 ARG 6 6.413 6.644 -3.317
44 2HH1 ARG 6 1HH1 ARG 6 5.003 7.466 -2.740
45 1HH2 ARG 6 2HH2 ARG 6 5.298 6.490 0.498
46 2HH2 ARG 6 1HH2 ARG 6 4.404 7.381 -0.688
47 H GLY 7 H GLY 7 6.377 -0.034 -3.201
48 1HA GLY 7 HA3 GLY 7 4.662 -0.476 -5.471
49 2HA GLY 7 HA2 GLY 7 6.221 -1.208 -5.842
50 H ARG 8 H ARG 8 6.819 -2.298 -3.191
51 HA ARG 8 HA ARG 8 4.481 -4.081 -2.699
52 1HB ARG 8 HB2 ARG 8 7.001 -4.792 -3.770
53 2HB ARG 8 HB1 ARG 8 6.809 -5.548 -2.335
54 1HG ARG 8 HG2 ARG 8 4.920 -5.740 -4.499
55 2HG ARG 8 HG1 ARG 8 6.057 -6.871 -4.190
56 1HD ARG 8 HD2 ARG 8 4.307 -7.822 -3.178
57 2HD ARG 8 HD1 ARG 8 4.906 -6.965 -1.923
58 HE ARG 8 HE ARG 8 2.929 -5.634 -3.504
59 1HH1 ARG 8 2HH2 ARG 8 3.384 -7.336 -0.423
60 2HH1 ARG 8 1HH2 ARG 8 1.752 -7.003 0.054
61 1HH2 ARG 8 2HH1 ARG 8 0.868 -5.311 -2.758
62 2HH2 ARG 8 1HH1 ARG 8 0.398 -5.911 -1.203
63 H CYS 9 H CYS 9 4.745 -5.436 -0.730
64 HA CYS 9 HA CYS 9 6.327 -4.416 1.470
65 1HB CYS 9 HB2 CYS 9 4.142 -3.058 1.035
66 2HB CYS 9 HB1 CYS 9 3.421 -4.302 1.810
67 HA PRO 10 HA PRO 10 5.933 -8.574 2.662
68 1HB PRO 10 HB2 PRO 10 4.830 -7.963 5.322
69 2HB PRO 10 HB1 PRO 10 6.122 -8.884 4.932
70 1HG PRO 10 HG2 PRO 10 6.575 -6.491 5.774
71 2HG PRO 10 HG1 PRO 10 7.451 -7.021 4.502
72 1HD PRO 10 HD2 PRO 10 5.082 -5.362 4.423
73 2HD PRO 10 HD1 PRO 10 6.460 -5.148 3.573
74 H SER 11 H SER 11 4.666 -10.415 3.774
75 HA SER 11 HA SER 11 2.696 -11.464 2.480
76 1HB SER 11 HB2 SER 11 2.804 -11.555 5.427
77 2HB SER 11 HB1 SER 11 2.380 -12.758 4.408
78 HG SER 11 HG SER 11 4.503 -13.049 5.067
79 H GLY 12 H GLY 12 0.920 -10.447 1.670
80 1HA GLY 12 HA3 GLY 12 -1.348 -9.954 1.708
81 2HA GLY 12 HA2 GLY 12 -1.345 -10.190 3.456
82 H MET 13 H MET 13 1.046 -7.872 2.964
83 HA MET 13 HA MET 13 -0.820 -5.678 3.604
84 1HB MET 13 HB2 MET 13 2.094 -5.607 3.109
85 2HB MET 13 HB1 MET 13 1.193 -4.405 3.751
86 1HG MET 13 HG2 MET 13 1.632 -6.952 5.014
87 2HG MET 13 HG1 MET 13 2.407 -5.576 5.428
88 1HE MET 13 HE1 MET 13 0.971 -7.532 7.460
89 2HE MET 13 HE2 MET 13 1.858 -6.076 7.975
90 3HE MET 13 HE3 MET 13 0.196 -6.352 8.544
91 H CYS 14 H CYS 14 -0.762 -3.672 2.336
92 HA CYS 14 HA CYS 14 -0.447 -4.123 -0.593
93 1HB CYS 14 HB2 CYS 14 -2.868 -2.912 0.508
94 2HB CYS 14 HB1 CYS 14 -2.644 -3.626 -0.943
95 H CYS 15 H CYS 15 -0.738 -2.013 -1.830
96 HA CYS 15 HA CYS 15 0.598 0.142 -0.311
97 1HB CYS 15 HB2 CYS 15 0.860 -0.725 -3.121
98 2HB CYS 15 HB1 CYS 15 1.678 0.513 -2.438
99 H SER 16 H SER 16 -0.455 2.130 -0.316
100 HA SER 16 HA SER 16 -2.808 2.470 -2.079
101 1HB SER 16 HB2 SER 16 -2.931 4.661 -1.133
102 2HB SER 16 HB1 SER 16 -2.846 3.551 0.063
103 HG SER 16 HG SER 16 -1.575 5.093 0.729
104 H GLN 17 H GLN 17 -2.863 4.222 -3.729
105 HA GLN 17 HA GLN 17 -0.715 3.941 -5.507
106 1HB GLN 17 HB2 GLN 17 -1.960 5.336 -6.886
107 2HB GLN 17 HB1 GLN 17 -3.048 4.463 -6.036
108 1HG GLN 17 HG2 GLN 17 -3.097 6.422 -4.490
109 2HG GLN 17 HG1 GLN 17 -2.412 7.241 -5.726
110 1HE2 GLN 17 1HE2 GLN 17 -3.634 7.500 -7.811
111 2HE2 GLN 17 2HE2 GLN 17 -5.384 7.351 -7.671
112 1HN PFF 18 H PFF 18 -0.718 5.926 -2.816
113 HA PFF 18 HA PFF 18 1.197 7.909 -3.883
114 1HBC PFF 18 HB2 PFF 18 -0.060 7.440 -1.168
115 2HBC PFF 18 HB3 PFF 18 1.072 8.754 -1.537
116 HD1 PFF 18 HD1 PFF 18 -2.376 7.475 -1.998
117 HD2 PFF 18 HD2 PFF 18 0.425 10.560 -3.099
118 HE1 PFF 18 HE1 PFF 18 -4.099 8.553 -3.431
119 HE2 PFF 18 HE2 PFF 18 -1.317 11.640 -4.495
120 H GLY 19 H GLY 19 1.406 4.713 -3.017
121 1HA GLY 19 HA3 GLY 19 3.310 3.429 -2.957
122 2HA GLY 19 HA2 GLY 19 4.306 4.843 -2.656
123 1HN PFF 20 H PFF 20 1.616 4.632 -0.501
124 HA PFF 20 HA PFF 20 3.428 3.939 1.719
125 1HBC PFF 20 HB2 PFF 20 0.559 4.912 1.681
126 2HBC PFF 20 HB3 PFF 20 1.636 4.816 3.071
127 HD1 PFF 20 HD1 PFF 20 4.020 6.031 2.571
128 HD2 PFF 20 HD2 PFF 20 0.203 7.135 0.963
129 HE1 PFF 20 HE1 PFF 20 4.840 8.370 2.238
130 HE2 PFF 20 HE2 PFF 20 0.988 9.478 0.696
131 H CYS 21 H CYS 21 2.797 2.333 3.314
132 HA CYS 21 HA CYS 21 1.445 0.014 2.007
133 1HB CYS 21 HB2 CYS 21 3.755 -0.294 2.473
134 2HB CYS 21 HB1 CYS 21 3.584 0.157 4.033
135 H GLY 22 H GLY 22 -0.117 -1.161 3.034
136 1HA GLY 22 HA3 GLY 22 0.030 -1.626 5.801
137 2HA GLY 22 HA2 GLY 22 -1.285 -0.465 5.578
138 H LYS 23 H LYS 23 -2.089 -2.735 6.645
139 HA LYS 23 HA LYS 23 -2.882 -4.679 4.648
140 1HB LYS 23 HB2 LYS 23 -2.522 -5.201 7.025
141 2HB LYS 23 HB1 LYS 23 -3.846 -4.333 7.430
142 1HG LYS 23 HG2 LYS 23 -4.484 -6.550 7.470
143 2HG LYS 23 HG1 LYS 23 -5.169 -5.900 6.138
144 1HD LYS 23 HD2 LYS 23 -2.828 -6.867 5.268
145 2HD LYS 23 HD1 LYS 23 -3.387 -8.019 6.282
146 1HE LYS 23 HE2 LYS 23 -4.286 -8.665 4.307
147 2HE LYS 23 HE1 LYS 23 -5.515 -7.819 4.971
148 1HZ LYS 23 HZ1 LYS 23 -5.232 -7.196 2.713
149 2HZ LYS 23 HZ2 LYS 23 -4.887 -5.914 3.686
150 3HZ LYS 23 HZ3 LYS 23 -3.664 -6.837 3.025
151 H GLY 24 H GLY 24 -4.230 -1.938 5.889
152 1HA GLY 24 HA3 GLY 24 -7.007 -2.651 5.719
153 2HA GLY 24 HA2 GLY 24 -6.378 -1.066 6.179
154 HA PRO 25 HA PRO 25 -8.825 -1.491 2.138
155 1HB PRO 25 HB2 PRO 25 -10.685 0.415 2.726
156 2HB PRO 25 HB1 PRO 25 -10.881 -1.182 3.005
157 1HG PRO 25 HG2 PRO 25 -10.090 0.841 4.908
158 2HG PRO 25 HG1 PRO 25 -11.105 -0.413 5.160
159 1HD PRO 25 HD2 PRO 25 -8.652 -0.604 5.976
160 2HD PRO 25 HD1 PRO 25 -9.380 -1.923 5.346
161 H LYS 26 H LYS 26 -8.057 1.679 3.751
162 HA LYS 26 HA LYS 26 -7.892 3.162 1.344
163 1HB LYS 26 HB2 LYS 26 -6.455 3.493 3.907
164 2HB LYS 26 HB1 LYS 26 -6.461 4.616 2.721
165 1HG LYS 26 HG2 LYS 26 -8.784 3.773 4.185
166 2HG LYS 26 HG1 LYS 26 -7.986 5.175 4.438
167 1HD LYS 26 HD2 LYS 26 -9.380 4.564 2.002
168 2HD LYS 26 HD1 LYS 26 -10.026 5.453 3.210
169 1HE LYS 26 HE2 LYS 26 -9.362 7.047 1.775
170 2HE LYS 26 HE1 LYS 26 -8.099 6.989 2.809
171 1HZ LYS 26 HZ1 LYS 26 -8.014 5.435 0.420
172 2HZ LYS 26 HZ2 LYS 26 -7.698 7.013 0.328
173 3HZ LYS 26 HZ3 LYS 26 -6.716 6.095 1.258
174 H TYR 27 H TYR 27 -5.665 0.757 2.524
175 HA TYR 27 HA TYR 27 -3.575 1.620 0.578
176 1HB TYR 27 HB2 TYR 27 -3.606 -0.531 2.599
177 2HB TYR 27 HB1 TYR 27 -2.347 -0.175 1.621
178 HD1 TYR 27 HD1 TYR 27 -1.275 2.152 1.758
179 HD2 TYR 27 HD2 TYR 27 -3.873 0.477 4.745
180 HE1 TYR 27 HE1 TYR 27 -0.248 3.629 3.490
181 HE2 TYR 27 HE2 TYR 27 -2.865 2.018 6.457
182 HH TYR 27 HH TYR 27 -0.323 4.374 5.634
183 H CYS 28 H CYS 28 -5.688 -1.133 1.405
184 HA CYS 28 HA CYS 28 -4.667 -2.586 -0.901
185 1HB CYS 28 HB2 CYS 28 -5.132 -3.286 1.527
186 2HB CYS 28 HB1 CYS 28 -6.655 -3.568 1.012
187 H GLY 29 H GLY 29 -7.701 -1.014 -0.119
188 1HA GLY 29 HA3 GLY 29 -8.766 -1.799 -2.820
189 2HA GLY 29 HA2 GLY 29 -9.799 -1.569 -1.409
190 H ARG 30 H ARG 30 -7.578 0.711 -0.949
191 HA ARG 30 HA ARG 30 -7.154 2.873 -1.343
192 1HB ARG 30 HB2 ARG 30 -8.562 2.461 -3.913
193 2HB ARG 30 HB1 ARG 30 -7.880 3.885 -3.493
194 1HG ARG 30 HG2 ARG 30 -6.402 1.419 -3.734
195 2HG ARG 30 HG1 ARG 30 -6.441 2.564 -4.898
196 1HD ARG 30 HD2 ARG 30 -5.280 2.893 -2.276
197 2HD ARG 30 HD1 ARG 30 -4.443 2.797 -3.674
198 HE ARG 30 HE ARG 30 -5.481 4.934 -4.363
199 1HH1 ARG 30 2HH2 ARG 30 -5.293 4.352 -0.873
200 2HH1 ARG 30 1HH2 ARG 30 -5.680 6.008 -0.547
201 1HH2 ARG 30 2HH1 ARG 30 -5.932 6.926 -3.861
202 2HH2 ARG 30 1HH1 ARG 30 -6.034 7.439 -2.210
203 1HN NH2 31 1HN NH2 31 -10.560 2.193 -2.221
204 2HN NH2 31 2HN NH2 31 -11.201 3.489 -1.206
205 H1 NAG 32 H1 NAG 32 -9.041 11.609 -2.305
206 H2 NAG 32 H2 NAG 32 -6.941 10.076 -3.884
207 H3 NAG 32 H3 NAG 32 -7.299 10.328 -0.875
208 H4 NAG 32 H4 NAG 32 -5.079 11.390 -2.669
209 H5 NAG 32 H5 NAG 32 -7.301 12.968 -1.328
210 1H6 NAG 32 1H6 NAG 32 -5.278 14.304 -1.512
211 2H6 NAG 32 2H6 NAG 32 -6.454 14.840 -2.717
212 1H8 NAG 32 1H8 NAG 32 -10.800 7.727 -2.462
213 2H8 NAG 32 2H8 NAG 32 -9.764 6.680 -3.479
214 3H8 NAG 32 3H8 NAG 32 -9.952 6.341 -1.741
215 HN2 NAG 32 HN2 NAG 32 -9.270 9.083 -3.724
216 HO1 NAG 32 HO1 NAG 32 -8.856 12.243 -4.756
217 HO3 NAG 32 HO3 NAG 32 -5.482 9.172 -0.857
218 HO6 NAG 32 HO6 NAG 32 -4.075 13.350 -3.085
219 H1 NAG 33 H1 NAG 33 -3.531 10.536 -1.137
220 H2 NAG 33 H2 NAG 33 -3.556 12.010 1.519
221 H3 NAG 33 H3 NAG 33 -1.542 10.080 0.303
222 H4 NAG 33 H4 NAG 33 -3.314 9.895 2.800
223 H5 NAG 33 H5 NAG 33 -3.328 8.394 0.146
224 1H6 NAG 33 1H6 NAG 33 -5.775 8.288 1.790
225 2H6 NAG 33 2H6 NAG 33 -4.423 7.686 2.722
226 1H8 NAG 33 1H8 NAG 33 -1.220 14.492 -2.502
227 2H8 NAG 33 2H8 NAG 33 -1.432 15.113 -0.848
228 3H8 NAG 33 3H8 NAG 33 -0.164 13.895 -1.198
229 HN2 NAG 33 HN2 NAG 33 -1.550 13.170 0.686
230 HO3 NAG 33 HO3 NAG 33 -0.489 10.406 2.203
231 HO6 NAG 33 HO6 NAG 33 -4.086 6.115 1.280
232 H1 NAG 34 H1 NAG 34 -2.077 8.725 4.370
233 H2 NAG 34 H2 NAG 34 -0.310 6.608 3.120
234 H3 NAG 34 H3 NAG 34 -0.372 7.275 6.065
235 H4 NAG 34 H4 NAG 34 1.804 7.970 4.036
236 H5 NAG 34 H5 NAG 34 -0.260 9.675 5.502
237 1H6 NAG 34 1H6 NAG 34 1.931 10.593 3.584
238 2H6 NAG 34 2H6 NAG 34 1.891 10.924 5.325
239 1H8 NAG 34 1H8 NAG 34 -4.757 5.454 3.987
240 2H8 NAG 34 2H8 NAG 34 -4.127 3.918 3.283
241 3H8 NAG 34 3H8 NAG 34 -3.711 4.395 4.945
242 HN2 NAG 34 HN2 NAG 34 -2.129 5.793 5.235
243 HO4 NAG 34 HO4 NAG 34 2.236 7.539 6.478
244 HO3 NAG 34 HO3 NAG 34 1.696 5.861 5.504
245 HO6 NAG 34 HO6 NAG 34 -0.106 11.747 3.436
Start of MODEL 9
1 1H VAL 1 H1 VAL 1 10.851 4.814 1.113
2 2H VAL 1 H2 VAL 1 11.885 3.805 0.366
3 3H VAL 1 H3 VAL 1 12.290 4.484 1.853
4 HA VAL 1 HA VAL 1 10.043 2.666 1.354
5 HB VAL 1 HB VAL 1 12.167 1.472 1.226
6 1HG1 VAL 1 1HG1 VAL 1 12.679 2.391 4.092
7 2HG1 VAL 1 2HG1 VAL 1 13.616 1.198 3.183
8 3HG1 VAL 1 3HG1 VAL 1 13.613 2.885 2.661
9 1HG2 VAL 1 1HG2 VAL 1 10.697 0.824 3.813
10 2HG2 VAL 1 2HG2 VAL 1 10.126 0.411 2.179
11 3HG2 VAL 1 3HG2 VAL 1 11.637 -0.279 2.800
12 H GLY 2 H GLY 2 8.657 2.430 2.961
13 1HA GLY 2 HA3 GLY 2 7.874 3.279 5.307
14 2HA GLY 2 HA2 GLY 2 8.538 4.823 4.710
15 H GLU 3 H GLU 3 8.012 4.850 2.079
16 HA GLU 3 HA GLU 3 5.260 4.001 1.486
17 1HB GLU 3 HB2 GLU 3 5.642 4.891 -0.541
18 2HB GLU 3 HB1 GLU 3 6.566 5.886 0.367
19 1HG GLU 3 HG2 GLU 3 7.546 3.827 -1.372
20 2HG GLU 3 HG1 GLU 3 7.634 5.433 -1.654
21 H CYS 4 H CYS 4 5.091 2.221 -0.207
22 HA CYS 4 HA CYS 4 6.371 -0.162 0.545
23 1HB CYS 4 HB2 CYS 4 5.103 0.708 -1.955
24 2HB CYS 4 HB1 CYS 4 5.790 -0.771 -1.864
25 H VAL 5 H VAL 5 7.692 -1.544 -0.858
26 HA VAL 5 HA VAL 5 10.254 -0.272 -1.557
27 HB VAL 5 HB VAL 5 9.453 -3.206 -1.687
28 1HG1 VAL 5 1HG1 VAL 5 12.181 -1.818 -1.427
29 2HG1 VAL 5 2HG1 VAL 5 11.912 -3.570 -1.421
30 3HG1 VAL 5 3HG1 VAL 5 11.605 -2.644 -2.887
31 1HG2 VAL 5 1HG2 VAL 5 10.599 -3.398 0.522
32 2HG2 VAL 5 2HG2 VAL 5 10.692 -1.626 0.600
33 3HG2 VAL 5 3HG2 VAL 5 9.116 -2.450 0.611
34 H ARG 6 H ARG 6 8.519 0.802 -3.088
35 HA ARG 6 HA ARG 6 7.771 1.279 -5.192
36 1HB ARG 6 HB2 ARG 6 10.517 0.324 -5.721
37 2HB ARG 6 HB1 ARG 6 9.613 1.084 -6.850
38 1HG ARG 6 HG2 ARG 6 10.729 2.836 -5.989
39 2HG ARG 6 HG1 ARG 6 9.377 2.866 -5.072
40 1HD ARG 6 HD2 ARG 6 10.705 1.541 -3.429
41 2HD ARG 6 HD1 ARG 6 12.007 2.043 -4.277
42 HE ARG 6 HE ARG 6 10.522 3.603 -2.397
43 1HH1 ARG 6 2HH2 ARG 6 12.554 4.003 -5.267
44 2HH1 ARG 6 1HH2 ARG 6 12.885 5.650 -4.847
45 1HH2 ARG 6 2HH1 ARG 6 10.977 5.598 -1.955
46 2HH2 ARG 6 1HH1 ARG 6 11.998 6.546 -2.984
47 H GLY 7 H GLY 7 6.822 -0.937 -4.251
48 1HA GLY 7 HA3 GLY 7 5.160 -1.865 -6.207
49 2HA GLY 7 HA2 GLY 7 6.531 -2.949 -6.434
50 H ARG 8 H ARG 8 7.020 -3.075 -3.373
51 HA ARG 8 HA ARG 8 4.532 -4.501 -2.561
52 1HB ARG 8 HB2 ARG 8 7.263 -5.515 -2.884
53 2HB ARG 8 HB1 ARG 8 6.433 -6.060 -1.586
54 1HG ARG 8 HG2 ARG 8 5.744 -6.455 -4.345
55 2HG ARG 8 HG1 ARG 8 6.154 -7.614 -3.269
56 1HD ARG 8 HD2 ARG 8 3.665 -6.201 -3.428
57 2HD ARG 8 HD1 ARG 8 3.892 -7.815 -3.535
58 HE ARG 8 HE ARG 8 4.640 -7.311 -0.968
59 1HH1 ARG 8 2HH2 ARG 8 1.707 -6.561 -2.787
60 2HH1 ARG 8 1HH2 ARG 8 0.730 -6.659 -1.361
61 1HH2 ARG 8 2HH1 ARG 8 3.274 -7.369 0.785
62 2HH2 ARG 8 1HH1 ARG 8 1.577 -7.095 0.569
63 H CYS 9 H CYS 9 4.453 -5.125 -0.396
64 HA CYS 9 HA CYS 9 6.380 -4.040 1.494
65 1HB CYS 9 HB2 CYS 9 3.651 -3.197 1.398
66 2HB CYS 9 HB1 CYS 9 3.988 -3.917 2.824
67 HA PRO 10 HA PRO 10 6.258 -8.032 3.277
68 1HB PRO 10 HB2 PRO 10 4.806 -7.103 5.670
69 2HB PRO 10 HB1 PRO 10 6.137 -8.045 5.581
70 1HG PRO 10 HG2 PRO 10 6.488 -5.548 6.093
71 2HG PRO 10 HG1 PRO 10 7.501 -6.242 5.017
72 1HD PRO 10 HD2 PRO 10 5.184 -4.619 4.447
73 2HD PRO 10 HD1 PRO 10 6.633 -4.571 3.694
74 H SER 11 H SER 11 4.924 -9.725 4.615
75 HA SER 11 HA SER 11 3.357 -11.197 3.215
76 1HB SER 11 HB2 SER 11 2.815 -10.784 6.077
77 2HB SER 11 HB1 SER 11 2.738 -12.180 5.233
78 HG SER 11 HG SER 11 4.677 -12.118 6.337
79 H GLY 12 H GLY 12 1.863 -10.356 1.843
80 1HA GLY 12 HA3 GLY 12 -0.274 -9.806 1.126
81 2HA GLY 12 HA2 GLY 12 -0.837 -10.373 2.699
82 H MET 13 H MET 13 1.416 -7.633 2.585
83 HA MET 13 HA MET 13 -0.712 -5.717 3.347
84 1HB MET 13 HB2 MET 13 2.099 -5.245 2.526
85 2HB MET 13 HB1 MET 13 1.111 -4.155 3.234
86 1HG MET 13 HG2 MET 13 2.017 -6.555 4.528
87 2HG MET 13 HG1 MET 13 2.705 -5.092 4.756
88 1HE MET 13 HE1 MET 13 2.636 -5.274 7.350
89 2HE MET 13 HE2 MET 13 1.160 -5.725 8.230
90 3HE MET 13 HE3 MET 13 1.943 -6.901 7.147
91 H CYS 14 H CYS 14 -0.942 -3.659 1.984
92 HA CYS 14 HA CYS 14 -0.184 -3.987 -0.881
93 1HB CYS 14 HB2 CYS 14 -2.763 -2.958 0.113
94 2HB CYS 14 HB1 CYS 14 -2.266 -2.920 -1.442
95 H CYS 15 H CYS 15 -0.258 -1.758 -1.975
96 HA CYS 15 HA CYS 15 0.785 0.346 -0.170
97 1HB CYS 15 HB2 CYS 15 0.900 0.165 -3.110
98 2HB CYS 15 HB1 CYS 15 1.839 1.069 -2.125
99 H SER 16 H SER 16 -0.108 2.526 -0.376
100 HA SER 16 HA SER 16 -2.869 2.602 -1.457
101 1HB SER 16 HB2 SER 16 -3.207 4.388 -0.061
102 2HB SER 16 HB1 SER 16 -2.297 3.383 0.849
103 HG SER 16 HG SER 16 -1.410 5.300 1.152
104 H GLN 17 H GLN 17 -3.551 4.748 -2.457
105 HA GLN 17 HA GLN 17 -1.945 5.625 -4.594
106 1HB GLN 17 HB2 GLN 17 -3.980 7.151 -3.076
107 2HB GLN 17 HB1 GLN 17 -3.421 7.551 -4.557
108 1HG GLN 17 HG2 GLN 17 -5.284 6.519 -5.180
109 2HG GLN 17 HG1 GLN 17 -4.297 5.219 -5.134
110 1HE2 GLN 17 1HE2 GLN 17 -7.102 6.674 -3.772
111 2HE2 GLN 17 2HE2 GLN 17 -7.387 5.368 -2.623
112 1HN PFF 18 H PFF 18 -1.256 6.145 -1.261
113 HA PFF 18 HA PFF 18 0.451 8.511 -1.887
114 1HBC PFF 18 HB2 PFF 18 -0.374 7.294 0.750
115 2HBC PFF 18 HB3 PFF 18 0.487 8.815 0.547
116 HD1 PFF 18 HD1 PFF 18 -0.871 10.501 -1.185
117 HD2 PFF 18 HD2 PFF 18 -2.676 7.292 1.051
118 HE1 PFF 18 HE1 PFF 18 -3.125 11.312 -1.827
119 HE2 PFF 18 HE2 PFF 18 -4.914 8.101 0.395
120 H GLY 19 H GLY 19 0.799 5.317 -2.266
121 1HA GLY 19 HA3 GLY 19 2.688 4.032 -2.483
122 2HA GLY 19 HA2 GLY 19 3.675 5.381 -1.915
123 1HN PFF 20 H PFF 20 2.388 5.671 0.645
124 HA PFF 20 HA PFF 20 3.449 3.866 2.474
125 1HBC PFF 20 HB2 PFF 20 0.715 5.199 2.544
126 2HBC PFF 20 HB3 PFF 20 1.633 4.634 3.941
127 HD1 PFF 20 HD1 PFF 20 4.308 5.613 3.546
128 HD2 PFF 20 HD2 PFF 20 0.609 7.588 2.622
129 HE1 PFF 20 HE1 PFF 20 5.311 7.786 4.200
130 HE2 PFF 20 HE2 PFF 20 1.660 9.770 3.107
131 H CYS 21 H CYS 21 2.476 2.084 3.774
132 HA CYS 21 HA CYS 21 0.645 0.460 2.072
133 1HB CYS 21 HB2 CYS 21 2.177 -1.182 1.947
134 2HB CYS 21 HB1 CYS 21 3.114 0.147 1.787
135 H GLY 22 H GLY 22 -0.294 -1.418 2.989
136 1HA GLY 22 HA3 GLY 22 -0.268 -2.239 5.678
137 2HA GLY 22 HA2 GLY 22 -1.403 -0.877 5.581
138 H LYS 23 H LYS 23 -2.804 -2.834 6.296
139 HA LYS 23 HA LYS 23 -3.893 -4.255 3.907
140 1HB LYS 23 HB2 LYS 23 -4.265 -4.821 6.792
141 2HB LYS 23 HB1 LYS 23 -4.949 -5.684 5.586
142 1HG LYS 23 HG2 LYS 23 -2.813 -6.367 4.834
143 2HG LYS 23 HG1 LYS 23 -2.100 -5.458 5.989
144 1HD LYS 23 HD2 LYS 23 -3.137 -6.841 7.666
145 2HD LYS 23 HD1 LYS 23 -3.743 -7.784 6.479
146 1HE LYS 23 HE2 LYS 23 -0.907 -7.363 6.758
147 2HE LYS 23 HE1 LYS 23 -1.658 -8.600 7.515
148 1HZ LYS 23 HZ1 LYS 23 -2.231 -9.574 5.499
149 2HZ LYS 23 HZ2 LYS 23 -1.743 -8.255 4.661
150 3HZ LYS 23 HZ3 LYS 23 -0.625 -9.202 5.402
151 H GLY 24 H GLY 24 -4.538 -1.530 5.469
152 1HA GLY 24 HA3 GLY 24 -7.432 -1.772 5.823
153 2HA GLY 24 HA2 GLY 24 -6.505 -0.269 5.957
154 HA PRO 25 HA PRO 25 -9.412 -0.947 2.151
155 1HB PRO 25 HB2 PRO 25 -10.236 1.728 3.106
156 2HB PRO 25 HB1 PRO 25 -11.131 0.606 2.326
157 1HG PRO 25 HG2 PRO 25 -11.303 0.702 4.901
158 2HG PRO 25 HG1 PRO 25 -11.234 -0.770 4.197
159 1HD PRO 25 HD2 PRO 25 -9.120 0.632 5.543
160 2HD PRO 25 HD1 PRO 25 -9.389 -0.979 5.520
161 H LYS 26 H LYS 26 -8.051 2.363 2.810
162 HA LYS 26 HA LYS 26 -7.587 2.887 0.044
163 1HB LYS 26 HB2 LYS 26 -6.497 4.136 2.497
164 2HB LYS 26 HB1 LYS 26 -6.234 4.732 0.999
165 1HG LYS 26 HG2 LYS 26 -8.564 5.038 0.692
166 2HG LYS 26 HG1 LYS 26 -8.855 4.391 2.163
167 1HD LYS 26 HD2 LYS 26 -9.047 6.698 2.373
168 2HD LYS 26 HD1 LYS 26 -7.681 6.252 3.151
169 1HE LYS 26 HE2 LYS 26 -6.365 7.005 1.351
170 2HE LYS 26 HE1 LYS 26 -7.703 7.346 0.479
171 1HZ LYS 26 HZ1 LYS 26 -6.960 8.692 2.927
172 2HZ LYS 26 HZ2 LYS 26 -6.843 9.389 1.482
173 3HZ LYS 26 HZ3 LYS 26 -8.302 9.039 2.021
174 H TYR 27 H TYR 27 -5.750 0.833 2.121
175 HA TYR 27 HA TYR 27 -3.343 1.081 0.379
176 1HB TYR 27 HB2 TYR 27 -3.793 -0.781 2.612
177 2HB TYR 27 HB1 TYR 27 -2.380 -0.452 1.862
178 HD1 TYR 27 HD1 TYR 27 -1.221 1.783 2.199
179 HD2 TYR 27 HD2 TYR 27 -4.622 0.481 4.470
180 HE1 TYR 27 HE1 TYR 27 -0.442 3.137 4.154
181 HE2 TYR 27 HE2 TYR 27 -3.835 1.845 6.422
182 HH TYR 27 HH TYR 27 -0.829 3.712 6.330
183 H CYS 28 H CYS 28 -5.710 -1.396 1.493
184 HA CYS 28 HA CYS 28 -4.823 -3.070 -0.779
185 1HB CYS 28 HB2 CYS 28 -4.373 -3.298 1.780
186 2HB CYS 28 HB1 CYS 28 -5.809 -4.077 1.765
187 H GLY 29 H GLY 29 -7.664 -1.529 0.258
188 1HA GLY 29 HA3 GLY 29 -9.485 -3.388 -1.165
189 2HA GLY 29 HA2 GLY 29 -9.836 -1.741 -0.593
190 H ARG 30 H ARG 30 -7.556 -3.379 -2.742
191 HA ARG 30 HA ARG 30 -6.430 -1.031 -3.444
192 1HB ARG 30 HB2 ARG 30 -5.466 -3.256 -3.570
193 2HB ARG 30 HB1 ARG 30 -6.211 -3.529 -4.998
194 1HG ARG 30 HG2 ARG 30 -3.899 -3.032 -5.265
195 2HG ARG 30 HG1 ARG 30 -4.852 -1.976 -6.067
196 1HD ARG 30 HD2 ARG 30 -3.829 -1.310 -3.464
197 2HD ARG 30 HD1 ARG 30 -2.941 -1.012 -4.802
198 HE ARG 30 HE ARG 30 -5.239 0.117 -5.482
199 1HH1 ARG 30 2HH2 ARG 30 -3.622 0.577 -2.378
200 2HH1 ARG 30 1HH2 ARG 30 -4.624 1.950 -2.043
201 1HH2 ARG 30 2HH1 ARG 30 -6.415 1.751 -4.964
202 2HH2 ARG 30 1HH1 ARG 30 -6.172 2.597 -3.472
203 1HN NH2 31 1HN NH2 31 -9.035 -2.483 -5.327
204 2HN NH2 31 2HN NH2 31 -9.094 -1.190 -6.519
205 H1 NAG 32 H1 NAG 32 -7.877 14.903 1.368
206 H2 NAG 32 H2 NAG 32 -7.731 12.070 0.280
207 H3 NAG 32 H3 NAG 32 -6.621 13.001 2.937
208 H4 NAG 32 H4 NAG 32 -4.942 12.285 0.512
209 H5 NAG 32 H5 NAG 32 -5.543 15.073 1.550
210 1H6 NAG 32 1H6 NAG 32 -3.331 15.042 0.639
211 2H6 NAG 32 2H6 NAG 32 -4.395 15.757 -0.574
212 1H8 NAG 32 1H8 NAG 32 -11.469 10.561 2.754
213 2H8 NAG 32 2H8 NAG 32 -10.805 11.856 3.783
214 3H8 NAG 32 3H8 NAG 32 -11.642 12.257 2.249
215 HN2 NAG 32 HN2 NAG 32 -9.458 13.358 2.326
216 HO1 NAG 32 HO1 NAG 32 -8.220 14.643 -1.146
217 HO3 NAG 32 HO3 NAG 32 -5.801 10.996 2.930
218 HO6 NAG 32 HO6 NAG 32 -2.995 13.349 -0.590
219 H1 NAG 33 H1 NAG 33 -3.219 11.269 1.668
220 H2 NAG 33 H2 NAG 33 -2.320 12.606 4.242
221 H3 NAG 33 H3 NAG 33 -1.112 10.350 2.600
222 H4 NAG 33 H4 NAG 33 -2.333 10.258 5.390
223 H5 NAG 33 H5 NAG 33 -3.653 9.237 2.844
224 1H6 NAG 33 1H6 NAG 33 -4.644 9.726 5.695
225 2H6 NAG 33 2H6 NAG 33 -4.200 8.142 5.039
226 1H8 NAG 33 1H8 NAG 33 1.048 13.738 1.164
227 2H8 NAG 33 2H8 NAG 33 0.077 14.257 -0.234
228 3H8 NAG 33 3H8 NAG 33 -0.042 15.155 1.300
229 HN2 NAG 33 HN2 NAG 33 -0.430 13.535 3.127
230 HO3 NAG 33 HO3 NAG 33 0.060 10.246 4.691
231 HO6 NAG 33 HO6 NAG 33 -6.468 8.812 5.119
232 H1 NAG 34 H1 NAG 34 -1.834 8.164 6.337
233 H2 NAG 34 H2 NAG 34 -0.140 6.533 4.399
234 H3 NAG 34 H3 NAG 34 -0.556 6.157 7.370
235 H4 NAG 34 H4 NAG 34 1.902 7.040 5.724
236 H5 NAG 34 H5 NAG 34 0.137 8.421 7.790
237 1H6 NAG 34 1H6 NAG 34 1.579 10.351 7.475
238 2H6 NAG 34 2H6 NAG 34 2.553 9.492 6.274
239 1H8 NAG 34 1H8 NAG 34 -3.759 3.980 3.142
240 2H8 NAG 34 2H8 NAG 34 -4.110 4.459 4.821
241 3H8 NAG 34 3H8 NAG 34 -4.550 5.546 3.474
242 HN2 NAG 34 HN2 NAG 34 -2.460 5.361 5.849
243 HO4 NAG 34 HO4 NAG 34 2.597 7.141 8.073
244 HO3 NAG 34 HO3 NAG 34 1.346 4.873 6.860
245 HO6 NAG 34 HO6 NAG 34 3.466 9.569 8.408
Start of MODEL 10
1 1H VAL 1 H1 VAL 1 8.248 8.056 7.197
2 2H VAL 1 H2 VAL 1 6.617 7.703 7.175
3 3H VAL 1 H3 VAL 1 7.545 7.457 5.852
4 HA VAL 1 HA VAL 1 8.692 5.674 6.779
5 HB VAL 1 HB VAL 1 7.133 6.241 9.345
6 1HG1 VAL 1 1HG1 VAL 1 8.624 4.467 10.283
7 2HG1 VAL 1 2HG1 VAL 1 7.545 3.826 9.048
8 3HG1 VAL 1 3HG1 VAL 1 9.253 4.148 8.656
9 1HG2 VAL 1 1HG2 VAL 1 9.415 6.671 10.293
10 2HG2 VAL 1 2HG2 VAL 1 10.083 6.614 8.654
11 3HG2 VAL 1 3HG2 VAL 1 8.934 7.892 9.125
12 H GLY 2 H GLY 2 7.841 3.674 6.290
13 1HA GLY 2 HA3 GLY 2 6.057 2.052 6.121
14 2HA GLY 2 HA2 GLY 2 4.867 3.349 6.245
15 H GLU 3 H GLU 3 7.299 4.464 4.199
16 HA GLU 3 HA GLU 3 5.763 4.401 1.832
17 1HB GLU 3 HB2 GLU 3 8.661 4.796 2.261
18 2HB GLU 3 HB1 GLU 3 7.900 5.087 0.846
19 1HG GLU 3 HG2 GLU 3 8.068 7.141 1.772
20 2HG GLU 3 HG1 GLU 3 6.531 6.705 2.111
21 H CYS 4 H CYS 4 5.360 2.725 0.423
22 HA CYS 4 HA CYS 4 6.608 0.197 0.963
23 1HB CYS 4 HB2 CYS 4 5.116 -0.565 -0.697
24 2HB CYS 4 HB1 CYS 4 4.320 0.546 0.199
25 H VAL 5 H VAL 5 7.288 -1.274 -0.672
26 HA VAL 5 HA VAL 5 9.407 -0.228 -2.467
27 HB VAL 5 HB VAL 5 8.541 -3.097 -1.944
28 1HG1 VAL 5 1HG1 VAL 5 10.811 -3.625 -2.819
29 2HG1 VAL 5 2HG1 VAL 5 9.874 -2.781 -4.051
30 3HG1 VAL 5 3HG1 VAL 5 11.104 -1.902 -3.122
31 1HG2 VAL 5 1HG2 VAL 5 10.747 -1.449 -0.652
32 2HG2 VAL 5 2HG2 VAL 5 9.326 -2.139 0.160
33 3HG2 VAL 5 3HG2 VAL 5 10.566 -3.208 -0.497
34 H ARG 6 H ARG 6 7.247 0.857 -3.161
35 HA ARG 6 HA ARG 6 5.717 1.347 -4.765
36 1HB ARG 6 HB2 ARG 6 7.759 0.113 -6.502
37 2HB ARG 6 HB1 ARG 6 6.671 1.248 -6.945
38 1HG ARG 6 HG2 ARG 6 8.850 1.662 -5.100
39 2HG ARG 6 HG1 ARG 6 8.776 2.261 -6.618
40 1HD ARG 6 HD2 ARG 6 8.161 4.083 -5.510
41 2HD ARG 6 HD1 ARG 6 6.687 3.406 -5.702
42 HE ARG 6 HE ARG 6 7.954 2.668 -3.233
43 1HH1 ARG 6 2HH2 ARG 6 5.925 5.170 -4.659
44 2HH1 ARG 6 1HH2 ARG 6 5.349 5.666 -3.103
45 1HH2 ARG 6 2HH1 ARG 6 7.130 3.294 -1.343
46 2HH2 ARG 6 1HH1 ARG 6 6.020 4.621 -1.258
47 H GLY 7 H GLY 7 5.149 -0.833 -3.479
48 1HA GLY 7 HA3 GLY 7 2.850 -1.955 -4.178
49 2HA GLY 7 HA2 GLY 7 3.842 -2.751 -5.400
50 H ARG 8 H ARG 8 6.093 -2.782 -3.065
51 HA ARG 8 HA ARG 8 4.818 -4.991 -1.555
52 1HB ARG 8 HB2 ARG 8 7.296 -4.937 -3.073
53 2HB ARG 8 HB1 ARG 8 7.289 -5.821 -1.699
54 1HG ARG 8 HG2 ARG 8 5.141 -6.171 -3.549
55 2HG ARG 8 HG1 ARG 8 6.566 -6.897 -3.880
56 1HD ARG 8 HD2 ARG 8 4.921 -8.308 -2.783
57 2HD ARG 8 HD1 ARG 8 6.394 -8.283 -2.078
58 HE ARG 8 HE ARG 8 5.438 -7.682 -0.125
59 1HH1 ARG 8 2HH2 ARG 8 3.197 -6.368 -2.545
60 2HH1 ARG 8 1HH2 ARG 8 1.917 -6.372 -1.378
61 1HH2 ARG 8 2HH1 ARG 8 3.782 -7.634 1.194
62 2HH2 ARG 8 1HH1 ARG 8 2.238 -7.058 0.661
63 H CYS 9 H CYS 9 5.950 -5.774 0.191
64 HA CYS 9 HA CYS 9 7.150 -4.430 2.294
65 1HB CYS 9 HB2 CYS 9 4.645 -3.376 1.551
66 2HB CYS 9 HB1 CYS 9 4.436 -4.182 2.956
67 HA PRO 10 HA PRO 10 6.440 -8.274 4.188
68 1HB PRO 10 HB2 PRO 10 4.567 -7.215 6.202
69 2HB PRO 10 HB1 PRO 10 5.866 -8.181 6.419
70 1HG PRO 10 HG2 PRO 10 6.145 -5.659 6.888
71 2HG PRO 10 HG1 PRO 10 7.356 -6.427 6.105
72 1HD PRO 10 HD2 PRO 10 5.298 -4.772 4.957
73 2HD PRO 10 HD1 PRO 10 6.873 -4.835 4.530
74 H SER 11 H SER 11 4.858 -9.845 5.273
75 HA SER 11 HA SER 11 3.572 -11.421 3.618
76 1HB SER 11 HB2 SER 11 2.249 -12.135 5.524
77 2HB SER 11 HB1 SER 11 3.795 -11.846 5.963
78 HG SER 11 HG SER 11 1.735 -10.032 6.232
79 H GLY 12 H GLY 12 2.353 -10.690 1.930
80 1HA GLY 12 HA3 GLY 12 0.355 -10.313 0.840
81 2HA GLY 12 HA2 GLY 12 -0.440 -10.612 2.386
82 H MET 13 H MET 13 1.659 -7.899 2.728
83 HA MET 13 HA MET 13 -0.631 -6.128 2.902
84 1HB MET 13 HB2 MET 13 2.261 -5.507 2.899
85 2HB MET 13 HB1 MET 13 1.079 -4.450 3.291
86 1HG MET 13 HG2 MET 13 0.443 -5.895 5.098
87 2HG MET 13 HG1 MET 13 1.708 -6.862 4.736
88 1HE MET 13 HE1 MET 13 2.718 -5.311 8.173
89 2HE MET 13 HE2 MET 13 1.057 -5.662 7.644
90 3HE MET 13 HE3 MET 13 2.361 -6.823 7.304
91 H CYS 14 H CYS 14 -0.675 -3.973 1.793
92 HA CYS 14 HA CYS 14 -0.061 -4.154 -1.125
93 1HB CYS 14 HB2 CYS 14 -2.480 -2.984 0.081
94 2HB CYS 14 HB1 CYS 14 -2.213 -3.348 -1.489
95 H CYS 15 H CYS 15 -0.387 -1.801 -2.069
96 HA CYS 15 HA CYS 15 0.687 0.169 -0.114
97 1HB CYS 15 HB2 CYS 15 2.392 -0.707 -1.614
98 2HB CYS 15 HB1 CYS 15 1.578 -0.116 -2.901
99 H SER 16 H SER 16 -0.079 2.215 -0.171
100 HA SER 16 HA SER 16 -2.638 2.652 -1.486
101 1HB SER 16 HB2 SER 16 -2.522 4.720 -0.269
102 2HB SER 16 HB1 SER 16 -2.067 3.515 0.736
103 HG SER 16 HG SER 16 -0.735 5.223 1.021
104 H GLN 17 H GLN 17 -3.105 4.665 -2.771
105 HA GLN 17 HA GLN 17 -1.157 5.109 -4.825
106 1HB GLN 17 HB2 GLN 17 -3.561 6.687 -4.109
107 2HB GLN 17 HB1 GLN 17 -2.731 6.821 -5.509
108 1HG GLN 17 HG2 GLN 17 -4.470 5.541 -6.133
109 2HG GLN 17 HG1 GLN 17 -3.325 4.416 -5.832
110 1HE2 GLN 17 1HE2 GLN 17 -5.651 3.222 -5.842
111 2HE2 GLN 17 2HE2 GLN 17 -6.255 3.021 -4.193
112 1HN PFF 18 H PFF 18 -1.351 6.322 -1.631
113 HA PFF 18 HA PFF 18 0.302 8.705 -2.213
114 1HBC PFF 18 HB2 PFF 18 -0.522 7.489 0.441
115 2HBC PFF 18 HB3 PFF 18 0.206 9.072 0.177
116 HD1 PFF 18 HD1 PFF 18 -1.144 10.609 -1.580
117 HD2 PFF 18 HD2 PFF 18 -2.843 7.406 0.749
118 HE1 PFF 18 HE1 PFF 18 -3.415 11.566 -1.916
119 HE2 PFF 18 HE2 PFF 18 -5.106 8.387 0.439
120 H GLY 19 H GLY 19 0.850 5.366 -2.070
121 1HA GLY 19 HA3 GLY 19 2.935 4.446 -2.455
122 2HA GLY 19 HA2 GLY 19 3.710 5.927 -1.887
123 1HN PFF 20 H PFF 20 1.338 4.554 0.326
124 HA PFF 20 HA PFF 20 3.610 3.638 2.044
125 1HBC PFF 20 HB2 PFF 20 0.880 4.793 2.677
126 2HBC PFF 20 HB3 PFF 20 1.955 4.097 3.870
127 HD1 PFF 20 HD1 PFF 20 1.403 6.970 1.632
128 HD2 PFF 20 HD2 PFF 20 4.022 5.225 4.572
129 HE1 PFF 20 HE1 PFF 20 2.421 9.194 2.047
130 HE2 PFF 20 HE2 PFF 20 5.073 7.437 4.942
131 H CYS 21 H CYS 21 3.265 1.792 3.408
132 HA CYS 21 HA CYS 21 1.767 -0.298 2.040
133 1HB CYS 21 HB2 CYS 21 3.406 -0.411 4.489
134 2HB CYS 21 HB1 CYS 21 2.862 -1.704 3.652
135 H GLY 22 H GLY 22 -0.044 -1.438 2.699
136 1HA GLY 22 HA3 GLY 22 -0.424 -2.179 5.369
137 2HA GLY 22 HA2 GLY 22 -1.567 -0.854 5.062
138 H LYS 23 H LYS 23 -2.875 -3.090 5.572
139 HA LYS 23 HA LYS 23 -3.764 -3.927 2.833
140 1HB LYS 23 HB2 LYS 23 -2.935 -5.687 4.518
141 2HB LYS 23 HB1 LYS 23 -4.424 -5.550 5.175
142 1HG LYS 23 HG2 LYS 23 -5.447 -6.236 3.211
143 2HG LYS 23 HG1 LYS 23 -4.060 -6.081 2.364
144 1HD LYS 23 HD2 LYS 23 -3.134 -7.919 3.597
145 2HD LYS 23 HD1 LYS 23 -4.561 -8.096 4.370
146 1HE LYS 23 HE2 LYS 23 -4.444 -9.673 2.622
147 2HE LYS 23 HE1 LYS 23 -5.612 -8.586 2.274
148 1HZ LYS 23 HZ1 LYS 23 -4.206 -7.488 0.773
149 2HZ LYS 23 HZ2 LYS 23 -2.949 -8.437 1.212
150 3HZ LYS 23 HZ3 LYS 23 -4.216 -9.086 0.384
151 H GLY 24 H GLY 24 -4.471 -1.719 4.884
152 1HA GLY 24 HA3 GLY 24 -7.329 -2.094 5.331
153 2HA GLY 24 HA2 GLY 24 -6.372 -0.661 5.725
154 HA PRO 25 HA PRO 25 -9.485 -0.355 2.229
155 1HB PRO 25 HB2 PRO 25 -10.947 1.677 3.229
156 2HB PRO 25 HB1 PRO 25 -11.202 0.113 3.625
157 1HG PRO 25 HG2 PRO 25 -9.727 2.081 5.154
158 2HG PRO 25 HG1 PRO 25 -10.813 1.002 5.724
159 1HD PRO 25 HD2 PRO 25 -8.290 0.455 5.918
160 2HD PRO 25 HD1 PRO 25 -9.336 -0.749 5.566
161 H LYS 26 H LYS 26 -7.072 1.899 3.206
162 HA LYS 26 HA LYS 26 -7.391 3.085 0.507
163 1HB LYS 26 HB2 LYS 26 -6.529 4.304 3.009
164 2HB LYS 26 HB1 LYS 26 -5.749 4.783 1.657
165 1HG LYS 26 HG2 LYS 26 -8.608 4.834 1.718
166 2HG LYS 26 HG1 LYS 26 -7.774 6.070 2.384
167 1HD LYS 26 HD2 LYS 26 -8.286 6.775 0.265
168 2HD LYS 26 HD1 LYS 26 -6.705 6.371 0.206
169 1HE LYS 26 HE2 LYS 26 -8.537 4.358 -0.568
170 2HE LYS 26 HE1 LYS 26 -8.360 5.609 -1.603
171 1HZ LYS 26 HZ1 LYS 26 -6.926 3.646 -2.019
172 2HZ LYS 26 HZ2 LYS 26 -6.155 5.067 -2.035
173 3HZ LYS 26 HZ3 LYS 26 -6.048 4.119 -0.726
174 H TYR 27 H TYR 27 -5.574 0.808 2.155
175 HA TYR 27 HA TYR 27 -3.046 1.532 0.736
176 1HB TYR 27 HB2 TYR 27 -3.601 -0.605 2.687
177 2HB TYR 27 HB1 TYR 27 -2.145 -0.274 2.026
178 HD1 TYR 27 HD1 TYR 27 -1.155 2.091 2.368
179 HD2 TYR 27 HD2 TYR 27 -4.386 0.482 4.690
180 HE1 TYR 27 HE1 TYR 27 -0.487 3.536 4.291
181 HE2 TYR 27 HE2 TYR 27 -3.801 2.048 6.556
182 HH TYR 27 HH TYR 27 -1.001 4.215 6.385
183 H CYS 28 H CYS 28 -5.392 -1.241 1.062
184 HA CYS 28 HA CYS 28 -4.058 -2.437 -1.254
185 1HB CYS 28 HB2 CYS 28 -5.082 -3.540 0.830
186 2HB CYS 28 HB1 CYS 28 -6.455 -3.536 -0.054
187 H GLY 29 H GLY 29 -4.475 -0.367 -2.287
188 1HA GLY 29 HA3 GLY 29 -5.383 0.787 -4.085
189 2HA GLY 29 HA2 GLY 29 -6.484 -0.569 -4.385
190 H ARG 30 H ARG 30 -8.149 -0.830 -2.702
191 HA ARG 30 HA ARG 30 -9.003 1.448 -1.119
192 1HB ARG 30 HB2 ARG 30 -10.263 0.977 -3.623
193 2HB ARG 30 HB1 ARG 30 -11.359 0.849 -2.418
194 1HG ARG 30 HG2 ARG 30 -9.673 3.108 -2.247
195 2HG ARG 30 HG1 ARG 30 -10.719 3.132 -3.502
196 1HD ARG 30 HD2 ARG 30 -11.518 4.242 -1.479
197 2HD ARG 30 HD1 ARG 30 -12.543 3.134 -2.104
198 HE ARG 30 HE ARG 30 -10.850 2.073 -0.036
199 1HH1 ARG 30 2HH2 ARG 30 -13.856 3.841 -0.399
200 2HH1 ARG 30 1HH2 ARG 30 -14.652 2.877 0.800
201 1HH2 ARG 30 2HH1 ARG 30 -11.992 0.723 1.270
202 2HH2 ARG 30 1HH1 ARG 30 -13.610 1.134 1.732
203 1HN NH2 31 1HN NH2 31 -8.627 -1.885 -1.320
204 2HN NH2 31 2HN NH2 31 -9.816 -2.284 -0.100
205 H1 NAG 32 H1 NAG 32 -7.366 15.955 1.447
206 H2 NAG 32 H2 NAG 32 -7.557 13.008 0.679
207 H3 NAG 32 H3 NAG 32 -6.047 14.290 2.982
208 H4 NAG 32 H4 NAG 32 -4.987 12.903 0.477
209 H5 NAG 32 H5 NAG 32 -4.916 15.822 1.367
210 1H6 NAG 32 1H6 NAG 32 -4.027 16.139 -0.991
211 2H6 NAG 32 2H6 NAG 32 -3.797 14.387 -1.082
212 1H8 NAG 32 1H8 NAG 32 -10.558 12.365 3.671
213 2H8 NAG 32 2H8 NAG 32 -10.710 14.125 3.980
214 3H8 NAG 32 3H8 NAG 32 -11.810 13.318 2.836
215 HN2 NAG 32 HN2 NAG 32 -8.353 13.512 3.369
216 HO1 NAG 32 HO1 NAG 32 -9.180 14.815 0.156
217 HO3 NAG 32 HO3 NAG 32 -5.339 12.109 3.144
218 HO6 NAG 32 HO6 NAG 32 -2.486 16.305 0.527
219 H1 NAG 33 H1 NAG 33 -3.293 11.676 1.244
220 H2 NAG 33 H2 NAG 33 -1.438 13.099 3.158
221 H3 NAG 33 H3 NAG 33 -1.022 10.481 1.684
222 H4 NAG 33 H4 NAG 33 -1.438 10.879 4.662
223 H5 NAG 33 H5 NAG 33 -3.348 9.756 2.561
224 1H6 NAG 33 1H6 NAG 33 -3.684 8.604 4.658
225 2H6 NAG 33 2H6 NAG 33 -5.006 9.747 4.402
226 1H8 NAG 33 1H8 NAG 33 0.309 14.761 -0.581
227 2H8 NAG 33 2H8 NAG 33 0.851 13.375 -1.564
228 3H8 NAG 33 3H8 NAG 33 -0.883 13.803 -1.502
229 HN2 NAG 33 HN2 NAG 33 -1.626 14.000 0.774
230 HO3 NAG 33 HO3 NAG 33 0.842 11.481 2.054
231 HO6 NAG 33 HO6 NAG 33 -3.922 11.187 5.817
232 H1 NAG 34 H1 NAG 34 -1.533 8.773 5.769
233 H2 NAG 34 H2 NAG 34 0.164 6.849 4.131
234 H3 NAG 34 H3 NAG 34 -0.646 6.734 7.065
235 H4 NAG 34 H4 NAG 34 2.046 7.199 5.690
236 H5 NAG 34 H5 NAG 34 0.275 8.974 7.415
237 1H6 NAG 34 1H6 NAG 34 1.980 10.678 7.081
238 2H6 NAG 34 2H6 NAG 34 2.944 9.590 6.069
239 1H8 NAG 34 1H8 NAG 34 -3.767 4.680 4.310
240 2H8 NAG 34 2H8 NAG 34 -4.279 6.049 3.279
241 3H8 NAG 34 3H8 NAG 34 -3.571 4.574 2.547
242 HN2 NAG 34 HN2 NAG 34 -2.498 6.192 5.407
243 HO4 NAG 34 HO4 NAG 34 2.532 7.446 8.063
244 HO3 NAG 34 HO3 NAG 34 1.176 5.247 6.885
245 HO6 NAG 34 HO6 NAG 34 3.556 9.859 8.353
Start of MODEL 11
1 1H VAL 1 H1 VAL 1 10.270 7.309 5.578
2 2H VAL 1 H2 VAL 1 8.683 7.561 6.006
3 3H VAL 1 H3 VAL 1 9.086 6.680 4.671
4 HA VAL 1 HA VAL 1 9.973 4.923 5.914
5 HB VAL 1 HB VAL 1 9.350 6.595 8.389
6 1HG1 VAL 1 1HG1 VAL 1 10.494 4.715 9.567
7 2HG1 VAL 1 2HG1 VAL 1 9.006 4.175 8.791
8 3HG1 VAL 1 3HG1 VAL 1 10.579 3.815 8.040
9 1HG2 VAL 1 1HG2 VAL 1 11.828 6.464 8.720
10 2HG2 VAL 1 2HG2 VAL 1 11.990 5.766 7.100
11 3HG2 VAL 1 3HG2 VAL 1 11.394 7.433 7.317
12 H GLY 2 H GLY 2 8.475 3.592 5.391
13 1HA GLY 2 HA3 GLY 2 6.424 2.302 6.198
14 2HA GLY 2 HA2 GLY 2 5.658 3.870 6.453
15 H GLU 3 H GLU 3 7.631 3.950 3.715
16 HA GLU 3 HA GLU 3 5.397 3.949 1.809
17 1HB GLU 3 HB2 GLU 3 7.145 4.628 0.293
18 2HB GLU 3 HB1 GLU 3 6.969 5.648 1.556
19 1HG GLU 3 HG2 GLU 3 9.106 3.735 1.475
20 2HG GLU 3 HG1 GLU 3 9.271 5.226 0.828
21 H CYS 4 H CYS 4 5.217 2.533 0.015
22 HA CYS 4 HA CYS 4 6.073 -0.134 0.731
23 1HB CYS 4 HB2 CYS 4 4.830 -0.745 -1.198
24 2HB CYS 4 HB1 CYS 4 3.968 0.297 -0.282
25 H VAL 5 H VAL 5 7.008 -1.610 -0.647
26 HA VAL 5 HA VAL 5 9.544 -0.722 -1.861
27 HB VAL 5 HB VAL 5 8.398 -3.530 -1.534
28 1HG1 VAL 5 1HG1 VAL 5 10.786 -4.203 -1.774
29 2HG1 VAL 5 2HG1 VAL 5 10.223 -3.392 -3.236
30 3HG1 VAL 5 3HG1 VAL 5 11.238 -2.514 -2.071
31 1HG2 VAL 5 1HG2 VAL 5 8.681 -2.504 0.672
32 2HG2 VAL 5 2HG2 VAL 5 9.965 -3.683 0.393
33 3HG2 VAL 5 3HG2 VAL 5 10.308 -1.949 0.231
34 H ARG 6 H ARG 6 8.061 0.509 -3.323
35 HA ARG 6 HA ARG 6 7.145 0.947 -5.344
36 1HB ARG 6 HB2 ARG 6 8.506 -0.008 -7.221
37 2HB ARG 6 HB1 ARG 6 9.199 1.033 -6.171
38 1HG ARG 6 HG2 ARG 6 10.778 -0.513 -6.738
39 2HG ARG 6 HG1 ARG 6 10.358 -0.799 -5.186
40 1HD ARG 6 HD2 ARG 6 10.699 -2.712 -6.828
41 2HD ARG 6 HD1 ARG 6 9.596 -2.823 -5.629
42 HE ARG 6 HE ARG 6 7.847 -2.555 -7.085
43 1HH1 ARG 6 2HH2 ARG 6 10.799 -2.495 -8.989
44 2HH1 ARG 6 1HH2 ARG 6 9.923 -2.045 -10.413
45 1HH2 ARG 6 2HH1 ARG 6 6.850 -1.880 -8.801
46 2HH2 ARG 6 1HH1 ARG 6 7.686 -1.695 -10.306
47 H GLY 7 H GLY 7 5.773 -0.766 -4.009
48 1HA GLY 7 HA3 GLY 7 3.563 -1.589 -5.213
49 2HA GLY 7 HA2 GLY 7 4.632 -2.747 -5.978
50 H ARG 8 H ARG 8 6.190 -3.005 -3.263
51 HA ARG 8 HA ARG 8 4.168 -4.846 -2.024
52 1HB ARG 8 HB2 ARG 8 6.830 -5.313 -3.093
53 2HB ARG 8 HB1 ARG 8 6.506 -6.073 -1.684
54 1HG ARG 8 HG2 ARG 8 4.453 -6.306 -3.591
55 2HG ARG 8 HG1 ARG 8 5.844 -7.036 -4.038
56 1HD ARG 8 HD2 ARG 8 4.285 -8.509 -2.921
57 2HD ARG 8 HD1 ARG 8 5.767 -8.473 -2.235
58 HE ARG 8 HE ARG 8 4.848 -7.841 -0.254
59 1HH1 ARG 8 2HH2 ARG 8 2.539 -6.795 -2.729
60 2HH1 ARG 8 1HH2 ARG 8 1.309 -6.586 -1.528
61 1HH2 ARG 8 2HH1 ARG 8 3.232 -7.534 1.124
62 2HH2 ARG 8 1HH1 ARG 8 1.687 -6.985 0.565
63 H CYS 9 H CYS 9 5.055 -5.821 0.013
64 HA CYS 9 HA CYS 9 6.591 -4.504 1.928
65 1HB CYS 9 HB2 CYS 9 4.023 -3.397 1.489
66 2HB CYS 9 HB1 CYS 9 4.042 -4.100 2.963
67 HA PRO 10 HA PRO 10 5.825 -8.315 4.041
68 1HB PRO 10 HB2 PRO 10 4.074 -7.075 6.067
69 2HB PRO 10 HB1 PRO 10 5.284 -8.151 6.284
70 1HG PRO 10 HG2 PRO 10 5.818 -5.665 6.695
71 2HG PRO 10 HG1 PRO 10 6.923 -6.547 5.877
72 1HD PRO 10 HD2 PRO 10 4.973 -4.727 4.781
73 2HD PRO 10 HD1 PRO 10 6.520 -4.928 4.299
74 H SER 11 H SER 11 4.134 -9.798 5.163
75 HA SER 11 HA SER 11 2.580 -11.112 3.381
76 1HB SER 11 HB2 SER 11 1.454 -11.966 5.378
77 2HB SER 11 HB1 SER 11 3.071 -11.889 5.597
78 HG SER 11 HG SER 11 1.313 -9.916 6.392
79 H GLY 12 H GLY 12 1.080 -10.213 2.022
80 1HA GLY 12 HA3 GLY 12 -1.110 -9.685 1.468
81 2HA GLY 12 HA2 GLY 12 -1.506 -9.644 3.186
82 H MET 13 H MET 13 1.084 -7.485 2.653
83 HA MET 13 HA MET 13 -0.702 -5.184 2.895
84 1HB MET 13 HB2 MET 13 2.215 -5.254 2.416
85 2HB MET 13 HB1 MET 13 1.355 -3.983 2.975
86 1HG MET 13 HG2 MET 13 1.586 -6.435 4.447
87 2HG MET 13 HG1 MET 13 2.629 -5.196 4.658
88 1HE MET 13 HE1 MET 13 0.596 -5.341 7.984
89 2HE MET 13 HE2 MET 13 1.037 -6.713 6.942
90 3HE MET 13 HE3 MET 13 2.225 -5.431 7.279
91 H CYS 14 H CYS 14 -0.505 -3.270 1.486
92 HA CYS 14 HA CYS 14 0.585 -3.648 -1.248
93 1HB CYS 14 HB2 CYS 14 -2.125 -2.604 -0.714
94 2HB CYS 14 HB1 CYS 14 -1.372 -2.593 -2.163
95 H CYS 15 H CYS 15 0.571 -1.374 -2.355
96 HA CYS 15 HA CYS 15 1.417 0.777 -0.555
97 1HB CYS 15 HB2 CYS 15 0.695 0.833 -3.420
98 2HB CYS 15 HB1 CYS 15 1.566 1.953 -2.610
99 H SER 16 H SER 16 0.259 2.817 -0.358
100 HA SER 16 HA SER 16 -2.575 2.840 -1.238
101 1HB SER 16 HB2 SER 16 -2.848 4.702 0.032
102 2HB SER 16 HB1 SER 16 -1.929 3.739 0.978
103 HG SER 16 HG SER 16 -1.015 5.620 1.163
104 H GLN 17 H GLN 17 -3.272 4.670 -2.561
105 HA GLN 17 HA GLN 17 -1.552 5.652 -4.590
106 1HB GLN 17 HB2 GLN 17 -3.349 7.234 -4.912
107 2HB GLN 17 HB1 GLN 17 -3.860 5.683 -4.863
108 1HG GLN 17 HG2 GLN 17 -3.938 7.036 -2.393
109 2HG GLN 17 HG1 GLN 17 -5.001 7.584 -3.506
110 1HE2 GLN 17 1HE2 GLN 17 -6.999 6.922 -2.642
111 2HE2 GLN 17 2HE2 GLN 17 -7.296 5.200 -2.389
112 1HN PFF 18 H PFF 18 -1.181 6.304 -1.306
113 HA PFF 18 HA PFF 18 0.220 8.854 -1.910
114 1HBC PFF 18 HB2 PFF 18 -0.547 7.919 0.851
115 2HBC PFF 18 HB3 PFF 18 -0.164 9.543 0.292
116 HD1 PFF 18 HD1 PFF 18 -2.774 7.281 1.132
117 HD2 PFF 18 HD2 PFF 18 -1.864 10.499 -1.577
118 HE1 PFF 18 HE1 PFF 18 -5.173 7.535 0.631
119 HE2 PFF 18 HE2 PFF 18 -4.285 10.774 -2.057
120 H GLY 19 H GLY 19 0.961 5.765 -2.114
121 1HA GLY 19 HA3 GLY 19 3.066 4.856 -2.262
122 2HA GLY 19 HA2 GLY 19 3.754 6.310 -1.537
123 1HN PFF 20 H PFF 20 2.210 6.121 0.942
124 HA PFF 20 HA PFF 20 3.635 4.342 2.604
125 1HBC PFF 20 HB2 PFF 20 0.880 5.550 2.789
126 2HBC PFF 20 HB3 PFF 20 1.543 4.518 4.056
127 HD1 PFF 20 HD1 PFF 20 1.775 7.845 2.516
128 HD2 PFF 20 HD2 PFF 20 3.626 5.086 5.260
129 HE1 PFF 20 HE1 PFF 20 3.083 9.705 3.507
130 HE2 PFF 20 HE2 PFF 20 4.958 6.946 6.226
131 H CYS 21 H CYS 21 3.206 2.228 3.483
132 HA CYS 21 HA CYS 21 1.388 0.625 1.730
133 1HB CYS 21 HB2 CYS 21 2.908 -0.964 1.686
134 2HB CYS 21 HB1 CYS 21 3.939 0.280 1.928
135 H GLY 22 H GLY 22 0.220 -1.177 2.623
136 1HA GLY 22 HA3 GLY 22 0.185 -1.814 5.401
137 2HA GLY 22 HA2 GLY 22 -1.061 -0.594 5.102
138 H LYS 23 H LYS 23 -2.002 -2.840 6.037
139 HA LYS 23 HA LYS 23 -2.761 -4.646 3.863
140 1HB LYS 23 HB2 LYS 23 -2.176 -5.108 6.393
141 2HB LYS 23 HB1 LYS 23 -3.794 -4.973 6.574
142 1HG LYS 23 HG2 LYS 23 -2.745 -6.805 4.652
143 2HG LYS 23 HG1 LYS 23 -2.819 -7.243 6.224
144 1HD LYS 23 HD2 LYS 23 -4.922 -7.757 6.055
145 2HD LYS 23 HD1 LYS 23 -5.277 -6.314 5.379
146 1HE LYS 23 HE2 LYS 23 -4.333 -8.605 3.905
147 2HE LYS 23 HE1 LYS 23 -5.891 -8.115 3.943
148 1HZ LYS 23 HZ1 LYS 23 -5.070 -7.291 1.974
149 2HZ LYS 23 HZ2 LYS 23 -5.089 -5.998 3.009
150 3HZ LYS 23 HZ3 LYS 23 -3.680 -6.808 2.681
151 H GLY 24 H GLY 24 -4.090 -2.047 5.357
152 1HA GLY 24 HA3 GLY 24 -6.890 -2.822 5.289
153 2HA GLY 24 HA2 GLY 24 -6.269 -1.247 5.793
154 HA PRO 25 HA PRO 25 -9.026 -1.528 1.920
155 1HB PRO 25 HB2 PRO 25 -9.896 0.989 3.202
156 2HB PRO 25 HB1 PRO 25 -10.776 -0.047 2.296
157 1HG PRO 25 HG2 PRO 25 -10.896 -0.303 4.862
158 2HG PRO 25 HG1 PRO 25 -10.793 -1.666 3.967
159 1HD PRO 25 HD2 PRO 25 -8.701 -0.386 5.459
160 2HD PRO 25 HD1 PRO 25 -8.912 -1.987 5.214
161 H LYS 26 H LYS 26 -7.899 1.799 2.813
162 HA LYS 26 HA LYS 26 -7.508 2.571 0.110
163 1HB LYS 26 HB2 LYS 26 -6.450 3.741 2.613
164 2HB LYS 26 HB1 LYS 26 -6.393 4.480 1.158
165 1HG LYS 26 HG2 LYS 26 -8.805 4.392 1.074
166 2HG LYS 26 HG1 LYS 26 -8.802 3.784 2.590
167 1HD LYS 26 HD2 LYS 26 -9.269 6.057 2.762
168 2HD LYS 26 HD1 LYS 26 -7.759 5.832 3.342
169 1HE LYS 26 HE2 LYS 26 -6.842 6.598 1.294
170 2HE LYS 26 HE1 LYS 26 -8.344 6.784 0.679
171 1HZ LYS 26 HZ1 LYS 26 -7.397 8.899 1.467
172 2HZ LYS 26 HZ2 LYS 26 -8.800 8.546 2.140
173 3HZ LYS 26 HZ3 LYS 26 -7.371 8.277 2.952
174 H TYR 27 H TYR 27 -5.500 0.472 1.880
175 HA TYR 27 HA TYR 27 -3.209 1.077 0.069
176 1HB TYR 27 HB2 TYR 27 -3.317 -0.960 2.181
177 2HB TYR 27 HB1 TYR 27 -2.000 -0.404 1.390
178 HD1 TYR 27 HD1 TYR 27 -0.994 1.821 1.906
179 HD2 TYR 27 HD2 TYR 27 -4.225 0.091 4.150
180 HE1 TYR 27 HE1 TYR 27 -0.369 3.208 3.880
181 HE2 TYR 27 HE2 TYR 27 -3.608 1.521 6.116
182 HH TYR 27 HH TYR 27 -0.865 3.771 6.103
183 H CYS 28 H CYS 28 -5.139 -1.696 1.252
184 HA CYS 28 HA CYS 28 -4.492 -3.132 -1.265
185 1HB CYS 28 HB2 CYS 28 -3.363 -3.342 1.052
186 2HB CYS 28 HB1 CYS 28 -4.636 -4.303 1.403
187 H GLY 29 H GLY 29 -7.190 -2.040 0.400
188 1HA GLY 29 HA3 GLY 29 -8.900 -4.152 -0.874
189 2HA GLY 29 HA2 GLY 29 -9.484 -2.770 0.065
190 H ARG 30 H ARG 30 -7.498 -0.997 -1.217
191 HA ARG 30 HA ARG 30 -6.744 0.055 -2.975
192 1HB ARG 30 HB2 ARG 30 -6.393 -2.188 -3.894
193 2HB ARG 30 HB1 ARG 30 -7.826 -2.107 -4.673
194 1HG ARG 30 HG2 ARG 30 -6.425 -1.531 -6.320
195 2HG ARG 30 HG1 ARG 30 -6.842 -0.060 -5.745
196 1HD ARG 30 HD2 ARG 30 -4.349 -1.419 -5.412
197 2HD ARG 30 HD1 ARG 30 -4.596 0.069 -6.037
198 HE ARG 30 HE ARG 30 -4.104 -0.552 -3.315
199 1HH1 ARG 30 2HH2 ARG 30 -6.161 1.848 -4.896
200 2HH1 ARG 30 1HH2 ARG 30 -5.612 3.068 -3.796
201 1HH2 ARG 30 2HH1 ARG 30 -3.441 1.043 -2.106
202 2HH2 ARG 30 1HH1 ARG 30 -4.133 2.623 -2.266
203 1HN NH2 31 1HN NH2 31 -10.126 -0.871 -3.470
204 2HN NH2 31 2HN NH2 31 -10.564 0.675 -4.207
205 H1 NAG 32 H1 NAG 32 -8.790 13.085 -1.299
206 H2 NAG 32 H2 NAG 32 -8.048 10.883 -0.169
207 H3 NAG 32 H3 NAG 32 -7.476 12.422 2.320
208 H4 NAG 32 H4 NAG 32 -5.350 12.063 0.191
209 H5 NAG 32 H5 NAG 32 -6.330 14.646 1.464
210 1H6 NAG 32 1H6 NAG 32 -4.214 14.902 0.359
211 2H6 NAG 32 2H6 NAG 32 -5.455 15.646 -0.656
212 1H8 NAG 32 1H8 NAG 32 -11.480 12.104 2.722
213 2H8 NAG 32 2H8 NAG 32 -12.157 11.790 1.094
214 3H8 NAG 32 3H8 NAG 32 -12.063 10.478 2.292
215 HN2 NAG 32 HN2 NAG 32 -9.936 12.896 0.907
216 HO1 NAG 32 HO1 NAG 32 -6.270 13.190 -1.738
217 HO3 NAG 32 HO3 NAG 32 -6.232 10.644 2.595
218 HO6 NAG 32 HO6 NAG 32 -3.921 13.352 -1.047
219 H1 NAG 33 H1 NAG 33 -3.849 11.001 1.478
220 H2 NAG 33 H2 NAG 33 -2.878 12.588 3.877
221 H3 NAG 33 H3 NAG 33 -1.624 10.242 2.420
222 H4 NAG 33 H4 NAG 33 -2.778 10.285 5.236
223 H5 NAG 33 H5 NAG 33 -4.070 9.022 2.785
224 1H6 NAG 33 1H6 NAG 33 -5.077 9.578 5.613
225 2H6 NAG 33 2H6 NAG 33 -4.488 8.008 5.050
226 1H8 NAG 33 1H8 NAG 33 -0.935 14.066 -0.842
227 2H8 NAG 33 2H8 NAG 33 -0.799 14.952 0.697
228 3H8 NAG 33 3H8 NAG 33 0.188 13.482 0.409
229 HN2 NAG 33 HN2 NAG 33 -0.984 13.300 2.533
230 HO3 NAG 33 HO3 NAG 33 -0.432 10.340 4.505
231 HO6 NAG 33 HO6 NAG 33 -6.796 8.422 5.105
232 H1 NAG 34 H1 NAG 34 -2.234 8.232 6.261
233 H2 NAG 34 H2 NAG 34 -0.219 6.738 4.513
234 H3 NAG 34 H3 NAG 34 -1.034 6.359 7.422
235 H4 NAG 34 H4 NAG 34 1.553 7.318 6.114
236 H5 NAG 34 H5 NAG 34 -0.461 8.811 7.817
237 1H6 NAG 34 1H6 NAG 34 0.965 10.739 7.455
238 2H6 NAG 34 2H6 NAG 34 2.029 9.825 6.379
239 1H8 NAG 34 1H8 NAG 34 -3.600 4.035 2.772
240 2H8 NAG 34 2H8 NAG 34 -3.990 4.223 4.496
241 3H8 NAG 34 3H8 NAG 34 -4.505 5.471 3.326
242 HN2 NAG 34 HN2 NAG 34 -2.646 5.419 5.717
243 HO4 NAG 34 HO4 NAG 34 1.970 7.628 8.464
244 HO3 NAG 34 HO3 NAG 34 0.987 5.180 7.217
245 HO6 NAG 34 HO6 NAG 34 2.828 10.086 8.539
Start of MODEL 12
1 1H VAL 1 H1 VAL 1 7.619 9.914 1.007
2 2H VAL 1 H2 VAL 1 6.857 11.033 1.975
3 3H VAL 1 H3 VAL 1 6.871 9.389 2.303
4 HA VAL 1 HA VAL 1 9.444 10.644 1.988
5 HB VAL 1 HB VAL 1 9.529 11.368 4.395
6 1HG1 VAL 1 1HG1 VAL 1 9.430 12.920 2.488
7 2HG1 VAL 1 2HG1 VAL 1 7.654 12.933 2.571
8 3HG1 VAL 1 3HG1 VAL 1 8.613 13.555 3.923
9 1HG2 VAL 1 1HG2 VAL 1 6.476 11.492 4.194
10 2HG2 VAL 1 2HG2 VAL 1 7.352 10.269 5.148
11 3HG2 VAL 1 3HG2 VAL 1 7.504 11.984 5.542
12 H GLY 2 H GLY 2 9.057 8.191 1.388
13 1HA GLY 2 HA3 GLY 2 10.748 6.552 2.857
14 2HA GLY 2 HA2 GLY 2 9.200 6.419 3.720
15 H GLU 3 H GLU 3 7.328 6.241 2.094
16 HA GLU 3 HA GLU 3 6.017 4.803 1.049
17 1HB GLU 3 HB2 GLU 3 8.127 5.611 -0.823
18 2HB GLU 3 HB1 GLU 3 6.769 4.863 -1.339
19 1HG GLU 3 HG2 GLU 3 6.513 7.193 -1.573
20 2HG GLU 3 HG1 GLU 3 5.460 6.645 -0.451
21 H CYS 4 H CYS 4 5.594 3.009 -0.383
22 HA CYS 4 HA CYS 4 6.132 0.550 0.718
23 1HB CYS 4 HB2 CYS 4 5.537 1.112 -2.128
24 2HB CYS 4 HB1 CYS 4 5.273 -0.312 -1.372
25 H VAL 5 H VAL 5 6.979 -1.468 -0.555
26 HA VAL 5 HA VAL 5 9.775 -1.068 -1.435
27 HB VAL 5 HB VAL 5 8.120 -3.613 -1.326
28 1HG1 VAL 5 1HG1 VAL 5 10.352 -4.701 -1.363
29 2HG1 VAL 5 2HG1 VAL 5 10.115 -3.749 -2.829
30 3HG1 VAL 5 3HG1 VAL 5 11.132 -3.116 -1.518
31 1HG2 VAL 5 1HG2 VAL 5 8.352 -2.690 0.943
32 2HG2 VAL 5 2HG2 VAL 5 9.404 -4.095 0.741
33 3HG2 VAL 5 3HG2 VAL 5 10.092 -2.459 0.684
34 H ARG 6 H ARG 6 8.441 0.472 -2.873
35 HA ARG 6 HA ARG 6 7.844 1.230 -4.896
36 1HB ARG 6 HB2 ARG 6 9.662 -0.847 -5.922
37 2HB ARG 6 HB1 ARG 6 9.335 0.606 -6.592
38 1HG ARG 6 HG2 ARG 6 10.843 0.173 -4.176
39 2HG ARG 6 HG1 ARG 6 11.458 0.683 -5.601
40 1HD ARG 6 HD2 ARG 6 11.356 2.681 -4.727
41 2HD ARG 6 HD1 ARG 6 9.760 2.606 -5.062
42 HE ARG 6 HE ARG 6 9.816 1.561 -2.571
43 1HH1 ARG 6 2HH2 ARG 6 11.174 4.586 -3.727
44 2HH1 ARG 6 1HH2 ARG 6 11.053 5.278 -2.143
45 1HH2 ARG 6 2HH1 ARG 6 9.673 2.487 -0.678
46 2HH2 ARG 6 1HH1 ARG 6 10.222 4.115 -0.455
47 H GLY 7 H GLY 7 6.124 -0.361 -3.808
48 1HA GLY 7 HA3 GLY 7 3.884 -0.725 -4.951
49 2HA GLY 7 HA2 GLY 7 4.729 -1.811 -6.052
50 H ARG 8 H ARG 8 6.316 -2.710 -3.367
51 HA ARG 8 HA ARG 8 4.168 -4.580 -2.455
52 1HB ARG 8 HB2 ARG 8 7.008 -4.952 -3.157
53 2HB ARG 8 HB1 ARG 8 6.332 -5.949 -2.054
54 1HG ARG 8 HG2 ARG 8 5.546 -5.683 -4.809
55 2HG ARG 8 HG1 ARG 8 6.215 -7.005 -4.121
56 1HD ARG 8 HD2 ARG 8 3.520 -6.071 -3.850
57 2HD ARG 8 HD1 ARG 8 4.018 -7.558 -4.309
58 HE ARG 8 HE ARG 8 4.818 -7.774 -1.887
59 1HH1 ARG 8 2HH2 ARG 8 1.782 -6.374 -2.972
60 2HH1 ARG 8 1HH2 ARG 8 1.055 -6.533 -1.408
61 1HH2 ARG 8 2HH1 ARG 8 3.828 -7.738 0.170
62 2HH2 ARG 8 1HH1 ARG 8 2.165 -7.272 0.297
63 H CYS 9 H CYS 9 4.979 -5.718 -0.366
64 HA CYS 9 HA CYS 9 6.698 -4.413 1.421
65 1HB CYS 9 HB2 CYS 9 4.000 -3.533 1.433
66 2HB CYS 9 HB1 CYS 9 4.344 -4.262 2.853
67 HA PRO 10 HA PRO 10 6.594 -8.329 3.398
68 1HB PRO 10 HB2 PRO 10 5.433 -7.226 5.871
69 2HB PRO 10 HB1 PRO 10 6.739 -8.191 5.693
70 1HG PRO 10 HG2 PRO 10 7.154 -5.673 6.048
71 2HG PRO 10 HG1 PRO 10 8.061 -6.438 4.926
72 1HD PRO 10 HD2 PRO 10 5.708 -4.824 4.473
73 2HD PRO 10 HD1 PRO 10 7.091 -4.818 3.605
74 H SER 11 H SER 11 5.318 -9.887 4.913
75 HA SER 11 HA SER 11 3.665 -11.451 3.907
76 1HB SER 11 HB2 SER 11 3.102 -10.387 6.591
77 2HB SER 11 HB1 SER 11 2.836 -11.908 6.059
78 HG SER 11 HG SER 11 4.774 -11.835 7.183
79 H GLY 12 H GLY 12 2.382 -10.707 2.281
80 1HA GLY 12 HA3 GLY 12 0.294 -10.421 1.325
81 2HA GLY 12 HA2 GLY 12 -0.375 -10.640 2.940
82 H MET 13 H MET 13 1.686 -7.875 2.981
83 HA MET 13 HA MET 13 -0.658 -6.160 3.216
84 1HB MET 13 HB2 MET 13 2.223 -5.478 3.141
85 2HB MET 13 HB1 MET 13 1.028 -4.435 3.533
86 1HG MET 13 HG2 MET 13 1.636 -6.833 5.009
87 2HG MET 13 HG1 MET 13 2.075 -5.332 5.480
88 1HE MET 13 HE1 MET 13 1.117 -6.036 7.893
89 2HE MET 13 HE2 MET 13 -0.573 -6.542 8.119
90 3HE MET 13 HE3 MET 13 0.549 -7.575 7.202
91 H CYS 14 H CYS 14 -0.745 -4.000 2.048
92 HA CYS 14 HA CYS 14 -0.329 -4.395 -0.887
93 1HB CYS 14 HB2 CYS 14 -2.610 -2.983 0.277
94 2HB CYS 14 HB1 CYS 14 -2.495 -3.739 -1.166
95 H CYS 15 H CYS 15 -0.508 -2.172 -2.055
96 HA CYS 15 HA CYS 15 0.919 -0.101 -0.429
97 1HB CYS 15 HB2 CYS 15 2.260 -1.237 -2.106
98 2HB CYS 15 HB1 CYS 15 1.238 -0.760 -3.288
99 H SER 16 H SER 16 0.127 1.970 -0.468
100 HA SER 16 HA SER 16 -2.600 2.279 -1.462
101 1HB SER 16 HB2 SER 16 -2.566 4.196 -0.070
102 2HB SER 16 HB1 SER 16 -1.820 3.013 0.774
103 HG SER 16 HG SER 16 -0.728 4.832 1.089
104 H GLN 17 H GLN 17 -3.375 4.206 -2.597
105 HA GLN 17 HA GLN 17 -1.565 5.228 -4.603
106 1HB GLN 17 HB2 GLN 17 -4.224 6.187 -3.738
107 2HB GLN 17 HB1 GLN 17 -3.445 6.655 -5.095
108 1HG GLN 17 HG2 GLN 17 -4.792 5.086 -5.949
109 2HG GLN 17 HG1 GLN 17 -3.473 4.179 -5.623
110 1HE2 GLN 17 1HE2 GLN 17 -5.616 2.657 -5.933
111 2HE2 GLN 17 2HE2 GLN 17 -6.344 2.238 -4.388
112 1HN PFF 18 H PFF 18 -1.568 5.823 -1.307
113 HA PFF 18 HA PFF 18 -0.465 8.563 -1.635
114 1HBC PFF 18 HB2 PFF 18 -1.091 6.896 0.830
115 2HBC PFF 18 HB3 PFF 18 -0.394 8.519 0.848
116 HD1 PFF 18 HD1 PFF 18 -1.844 10.246 -0.739
117 HD2 PFF 18 HD2 PFF 18 -3.385 6.708 1.165
118 HE1 PFF 18 HE1 PFF 18 -4.114 11.236 -0.744
119 HE2 PFF 18 HE2 PFF 18 -5.650 7.738 1.236
120 H GLY 19 H GLY 19 0.561 5.353 -1.945
121 1HA GLY 19 HA3 GLY 19 2.718 4.740 -2.490
122 2HA GLY 19 HA2 GLY 19 3.348 6.242 -1.814
123 1HN PFF 20 H PFF 20 1.310 4.671 0.500
124 HA PFF 20 HA PFF 20 3.730 3.556 1.878
125 1HBC PFF 20 HB2 PFF 20 1.115 4.641 3.024
126 2HBC PFF 20 HB3 PFF 20 2.412 3.889 3.911
127 HD1 PFF 20 HD1 PFF 20 1.594 6.895 1.880
128 HD2 PFF 20 HD2 PFF 20 4.515 4.997 4.409
129 HE1 PFF 20 HE1 PFF 20 2.773 9.058 2.129
130 HE2 PFF 20 HE2 PFF 20 5.718 7.159 4.629
131 H CYS 21 H CYS 21 3.040 1.640 3.405
132 HA CYS 21 HA CYS 21 1.115 0.003 1.814
133 1HB CYS 21 HB2 CYS 21 2.527 -1.780 1.992
134 2HB CYS 21 HB1 CYS 21 3.472 -0.528 1.538
135 H GLY 22 H GLY 22 -0.186 -1.517 2.741
136 1HA GLY 22 HA3 GLY 22 -0.312 -2.282 5.469
137 2HA GLY 22 HA2 GLY 22 -1.310 -0.825 5.235
138 H LYS 23 H LYS 23 -2.936 -2.693 5.874
139 HA LYS 23 HA LYS 23 -3.945 -3.908 3.332
140 1HB LYS 23 HB2 LYS 23 -3.194 -5.499 4.995
141 2HB LYS 23 HB1 LYS 23 -4.260 -4.921 6.089
142 1HG LYS 23 HG2 LYS 23 -6.038 -5.832 5.013
143 2HG LYS 23 HG1 LYS 23 -5.226 -5.966 3.603
144 1HD LYS 23 HD2 LYS 23 -4.611 -7.583 5.906
145 2HD LYS 23 HD1 LYS 23 -5.615 -8.088 4.721
146 1HE LYS 23 HE2 LYS 23 -2.830 -7.457 4.315
147 2HE LYS 23 HE1 LYS 23 -3.414 -8.977 4.440
148 1HZ LYS 23 HZ1 LYS 23 -4.120 -7.144 2.343
149 2HZ LYS 23 HZ2 LYS 23 -3.025 -8.345 2.195
150 3HZ LYS 23 HZ3 LYS 23 -4.616 -8.715 2.448
151 H GLY 24 H GLY 24 -4.625 -1.361 5.098
152 1HA GLY 24 HA3 GLY 24 -7.507 -1.694 5.472
153 2HA GLY 24 HA2 GLY 24 -6.612 -0.179 5.659
154 HA PRO 25 HA PRO 25 -9.323 -0.442 1.688
155 1HB PRO 25 HB2 PRO 25 -10.520 1.881 3.058
156 2HB PRO 25 HB1 PRO 25 -11.240 0.789 2.080
157 1HG PRO 25 HG2 PRO 25 -11.527 0.502 4.627
158 2HG PRO 25 HG1 PRO 25 -11.260 -0.839 3.733
159 1HD PRO 25 HD2 PRO 25 -9.348 0.617 5.324
160 2HD PRO 25 HD1 PRO 25 -9.470 -1.003 5.158
161 H LYS 26 H LYS 26 -7.703 2.261 3.386
162 HA LYS 26 HA LYS 26 -7.309 3.785 0.934
163 1HB LYS 26 HB2 LYS 26 -6.338 4.069 3.688
164 2HB LYS 26 HB1 LYS 26 -5.785 5.030 2.488
165 1HG LYS 26 HG2 LYS 26 -8.058 5.724 2.059
166 2HG LYS 26 HG1 LYS 26 -8.535 4.850 3.354
167 1HD LYS 26 HD2 LYS 26 -7.448 6.246 4.826
168 2HD LYS 26 HD1 LYS 26 -6.549 6.917 3.639
169 1HE LYS 26 HE2 LYS 26 -8.530 7.948 2.756
170 2HE LYS 26 HE1 LYS 26 -9.388 7.323 3.998
171 1HZ LYS 26 HZ1 LYS 26 -7.166 9.086 4.411
172 2HZ LYS 26 HZ2 LYS 26 -8.683 9.663 4.271
173 3HZ LYS 26 HZ3 LYS 26 -8.287 8.660 5.529
174 H TYR 27 H TYR 27 -5.755 0.991 2.091
175 HA TYR 27 HA TYR 27 -3.313 1.641 0.490
176 1HB TYR 27 HB2 TYR 27 -3.677 -0.408 2.572
177 2HB TYR 27 HB1 TYR 27 -2.316 -0.181 1.699
178 HD1 TYR 27 HD1 TYR 27 -4.494 1.553 4.125
179 HD2 TYR 27 HD2 TYR 27 -0.645 1.387 2.290
180 HE1 TYR 27 HE1 TYR 27 -3.486 2.765 6.089
181 HE2 TYR 27 HE2 TYR 27 0.324 2.681 4.215
182 HH TYR 27 HH TYR 27 -0.210 3.924 6.112
183 H CYS 28 H CYS 28 -5.654 -1.011 1.166
184 HA CYS 28 HA CYS 28 -4.281 -2.553 -0.858
185 1HB CYS 28 HB2 CYS 28 -5.205 -3.288 1.374
186 2HB CYS 28 HB1 CYS 28 -6.639 -3.448 0.608
187 H GLY 29 H GLY 29 -4.831 -0.861 -2.376
188 1HA GLY 29 HA3 GLY 29 -5.706 -0.448 -4.521
189 2HA GLY 29 HA2 GLY 29 -6.719 -1.900 -4.378
190 H ARG 30 H ARG 30 -8.465 -1.724 -2.787
191 HA ARG 30 HA ARG 30 -9.092 0.773 -1.652
192 1HB ARG 30 HB2 ARG 30 -10.238 0.870 -3.924
193 2HB ARG 30 HB1 ARG 30 -11.383 -0.084 -3.256
194 1HG ARG 30 HG2 ARG 30 -12.237 1.995 -2.985
195 2HG ARG 30 HG1 ARG 30 -11.583 1.676 -1.522
196 1HD ARG 30 HD2 ARG 30 -10.256 3.267 -3.525
197 2HD ARG 30 HD1 ARG 30 -11.123 3.913 -2.300
198 HE ARG 30 HE ARG 30 -9.386 2.547 -0.867
199 1HH1 ARG 30 2HH2 ARG 30 -8.695 4.786 -3.503
200 2HH1 ARG 30 1HH2 ARG 30 -6.990 4.663 -3.224
201 1HH2 ARG 30 2HH1 ARG 30 -7.217 2.359 -0.708
202 2HH2 ARG 30 1HH1 ARG 30 -6.183 3.336 -1.696
203 1HN NH2 31 1HN NH2 31 -8.952 -2.444 -1.223
204 2HN NH2 31 2HN NH2 31 -10.196 -2.576 0.004
205 H1 NAG 32 H1 NAG 32 -7.520 15.799 2.867
206 H2 NAG 32 H2 NAG 32 -7.839 13.141 1.449
207 H3 NAG 32 H3 NAG 32 -6.210 13.632 3.972
208 H4 NAG 32 H4 NAG 32 -5.125 13.142 1.161
209 H5 NAG 32 H5 NAG 32 -5.225 15.762 2.697
210 1H6 NAG 32 1H6 NAG 32 -4.298 16.666 0.531
211 2H6 NAG 32 2H6 NAG 32 -4.003 14.997 0.013
212 1H8 NAG 32 1H8 NAG 32 -10.407 13.279 5.459
213 2H8 NAG 32 2H8 NAG 32 -11.370 13.088 3.963
214 3H8 NAG 32 3H8 NAG 32 -10.969 11.669 4.954
215 HN2 NAG 32 HN2 NAG 32 -9.384 14.355 3.462
216 HO1 NAG 32 HO1 NAG 32 -8.328 16.005 0.509
217 HO3 NAG 32 HO3 NAG 32 -7.281 11.577 3.128
218 HO6 NAG 32 HO6 NAG 32 -2.785 14.850 2.077
219 H1 NAG 33 H1 NAG 33 -3.382 11.788 1.734
220 H2 NAG 33 H2 NAG 33 -1.655 12.840 4.013
221 H3 NAG 33 H3 NAG 33 -1.094 10.549 2.091
222 H4 NAG 33 H4 NAG 33 -1.713 10.554 5.088
223 H5 NAG 33 H5 NAG 33 -3.402 9.725 2.697
224 1H6 NAG 33 1H6 NAG 33 -4.064 9.747 5.669
225 2H6 NAG 33 2H6 NAG 33 -3.974 8.308 4.620
226 1H8 NAG 33 1H8 NAG 33 0.910 13.994 0.327
227 2H8 NAG 33 2H8 NAG 33 -0.259 14.123 -1.011
228 3H8 NAG 33 3H8 NAG 33 -0.357 15.270 0.347
229 HN2 NAG 33 HN2 NAG 33 -0.267 13.921 2.460
230 HO3 NAG 33 HO3 NAG 33 0.492 10.321 3.946
231 HO6 NAG 33 HO6 NAG 33 -5.512 10.528 3.872
232 H1 NAG 34 H1 NAG 34 -1.247 8.469 6.023
233 H2 NAG 34 H2 NAG 34 0.368 6.760 4.082
234 H3 NAG 34 H3 NAG 34 -0.077 6.519 7.086
235 H4 NAG 34 H4 NAG 34 2.391 7.241 5.445
236 H5 NAG 34 H5 NAG 34 0.712 8.922 7.332
237 1H6 NAG 34 1H6 NAG 34 2.233 10.729 6.756
238 2H6 NAG 34 2H6 NAG 34 3.117 9.695 5.625
239 1H8 NAG 34 1H8 NAG 34 -3.926 6.045 3.380
240 2H8 NAG 34 2H8 NAG 34 -3.478 4.385 2.881
241 3H8 NAG 34 3H8 NAG 34 -3.693 4.778 4.613
242 HN2 NAG 34 HN2 NAG 34 -2.162 6.031 5.587
243 HO4 NAG 34 HO4 NAG 34 3.102 7.567 7.736
244 HO3 NAG 34 HO3 NAG 34 1.840 5.232 6.686
245 HO6 NAG 34 HO6 NAG 34 4.110 9.972 7.719
Start of MODEL 13
1 1H VAL 1 H1 VAL 1 7.617 8.052 7.625
2 2H VAL 1 H2 VAL 1 6.005 7.636 7.753
3 3H VAL 1 H3 VAL 1 6.827 7.428 6.328
4 HA VAL 1 HA VAL 1 8.059 5.689 7.050
5 HB VAL 1 HB VAL 1 7.896 4.848 9.395
6 1HG1 VAL 1 1HG1 VAL 1 9.580 6.364 10.244
7 2HG1 VAL 1 2HG1 VAL 1 9.829 6.128 8.508
8 3HG1 VAL 1 3HG1 VAL 1 9.103 7.637 9.111
9 1HG2 VAL 1 1HG2 VAL 1 5.870 6.088 10.169
10 2HG2 VAL 1 2HG2 VAL 1 7.278 6.383 11.190
11 3HG2 VAL 1 3HG2 VAL 1 6.764 7.621 10.039
12 H GLY 2 H GLY 2 7.220 3.892 6.462
13 1HA GLY 2 HA3 GLY 2 5.450 2.042 6.961
14 2HA GLY 2 HA2 GLY 2 4.273 3.349 6.834
15 H GLU 3 H GLU 3 7.093 3.354 4.707
16 HA GLU 3 HA GLU 3 5.401 3.624 2.429
17 1HB GLU 3 HB2 GLU 3 8.336 3.529 2.778
18 2HB GLU 3 HB1 GLU 3 7.582 3.985 1.403
19 1HG GLU 3 HG2 GLU 3 8.208 5.930 2.442
20 2HG GLU 3 HG1 GLU 3 6.593 5.812 2.654
21 H CYS 4 H CYS 4 5.861 2.500 0.352
22 HA CYS 4 HA CYS 4 6.555 -0.396 0.736
23 1HB CYS 4 HB2 CYS 4 4.936 0.916 -1.343
24 2HB CYS 4 HB1 CYS 4 5.347 -0.665 -1.352
25 H VAL 5 H VAL 5 7.618 -1.453 -0.907
26 HA VAL 5 HA VAL 5 9.990 -0.071 -1.958
27 HB VAL 5 HB VAL 5 9.155 -3.000 -2.167
28 1HG1 VAL 5 1HG1 VAL 5 11.838 -1.590 -2.602
29 2HG1 VAL 5 2HG1 VAL 5 11.584 -3.347 -2.606
30 3HG1 VAL 5 3HG1 VAL 5 10.853 -2.356 -3.869
31 1HG2 VAL 5 1HG2 VAL 5 10.823 -3.340 -0.356
32 2HG2 VAL 5 2HG2 VAL 5 10.995 -1.580 -0.197
33 3HG2 VAL 5 3HG2 VAL 5 9.451 -2.370 0.186
34 H ARG 6 H ARG 6 8.513 1.292 -3.184
35 HA ARG 6 HA ARG 6 7.585 2.043 -5.120
36 1HB ARG 6 HB2 ARG 6 8.716 1.303 -7.189
37 2HB ARG 6 HB1 ARG 6 9.676 1.969 -6.048
38 1HG ARG 6 HG2 ARG 6 10.913 0.300 -6.938
39 2HG ARG 6 HG1 ARG 6 10.396 -0.290 -5.505
40 1HD ARG 6 HD2 ARG 6 10.010 -2.074 -6.762
41 2HD ARG 6 HD1 ARG 6 8.578 -1.317 -6.974
42 HE ARG 6 HE ARG 6 10.736 -1.452 -8.884
43 1HH1 ARG 6 2HH2 ARG 6 7.366 -0.528 -8.393
44 2HH1 ARG 6 1HH2 ARG 6 7.084 -0.404 -10.097
45 1HH2 ARG 6 2HH1 ARG 6 10.265 -1.275 -11.039
46 2HH2 ARG 6 1HH1 ARG 6 8.677 -0.814 -11.552
47 H GLY 7 H GLY 7 6.210 0.214 -3.853
48 1HA GLY 7 HA3 GLY 7 3.865 -0.055 -4.801
49 2HA GLY 7 HA2 GLY 7 4.574 -1.059 -6.056
50 H ARG 8 H ARG 8 6.299 -2.311 -3.533
51 HA ARG 8 HA ARG 8 3.957 -3.829 -2.457
52 1HB ARG 8 HB2 ARG 8 6.333 -4.837 -3.754
53 2HB ARG 8 HB1 ARG 8 5.988 -5.574 -2.338
54 1HG ARG 8 HG2 ARG 8 4.319 -5.483 -4.668
55 2HG ARG 8 HG1 ARG 8 5.010 -6.814 -4.021
56 1HD ARG 8 HD2 ARG 8 2.744 -5.391 -2.986
57 2HD ARG 8 HD1 ARG 8 2.757 -6.921 -3.556
58 HE ARG 8 HE ARG 8 4.400 -6.807 -1.258
59 1HH1 ARG 8 2HH2 ARG 8 1.002 -6.851 -2.176
60 2HH1 ARG 8 1HH2 ARG 8 0.530 -7.521 -0.650
61 1HH2 ARG 8 2HH1 ARG 8 3.704 -7.596 0.664
62 2HH2 ARG 8 1HH1 ARG 8 2.025 -7.933 0.920
63 H CYS 9 H CYS 9 4.135 -4.744 -0.494
64 HA CYS 9 HA CYS 9 6.231 -3.724 1.377
65 1HB CYS 9 HB2 CYS 9 3.843 -2.926 1.543
66 2HB CYS 9 HB1 CYS 9 3.426 -4.448 1.963
67 HA PRO 10 HA PRO 10 6.557 -8.230 2.133
68 1HB PRO 10 HB2 PRO 10 6.593 -7.715 5.014
69 2HB PRO 10 HB1 PRO 10 7.666 -8.549 4.107
70 1HG PRO 10 HG2 PRO 10 8.319 -6.176 4.936
71 2HG PRO 10 HG1 PRO 10 8.758 -6.624 3.427
72 1HD PRO 10 HD2 PRO 10 6.461 -5.027 4.175
73 2HD PRO 10 HD1 PRO 10 7.505 -4.734 2.954
74 H SER 11 H SER 11 5.413 -9.977 3.497
75 HA SER 11 HA SER 11 3.531 -11.065 4.217
76 1HB SER 11 HB2 SER 11 4.221 -9.586 6.064
77 2HB SER 11 HB1 SER 11 3.023 -8.552 5.659
78 HG SER 11 HG SER 11 2.491 -10.115 7.298
79 H GLY 12 H GLY 12 1.157 -10.527 5.011
80 1HA GLY 12 HA3 GLY 12 -0.474 -10.335 2.590
81 2HA GLY 12 HA2 GLY 12 -1.058 -10.586 4.237
82 H MET 13 H MET 13 0.831 -7.874 2.872
83 HA MET 13 HA MET 13 -1.293 -5.946 3.747
84 1HB MET 13 HB2 MET 13 1.583 -5.512 3.176
85 2HB MET 13 HB1 MET 13 0.532 -4.364 3.672
86 1HG MET 13 HG2 MET 13 1.224 -6.650 5.267
87 2HG MET 13 HG1 MET 13 1.954 -5.198 5.429
88 1HE MET 13 HE1 MET 13 0.879 -6.695 7.905
89 2HE MET 13 HE2 MET 13 1.611 -5.074 7.998
90 3HE MET 13 HE3 MET 13 0.037 -5.385 8.766
91 H CYS 14 H CYS 14 -1.348 -3.927 2.310
92 HA CYS 14 HA CYS 14 -0.778 -4.478 -0.558
93 1HB CYS 14 HB2 CYS 14 -3.143 -3.004 0.376
94 2HB CYS 14 HB1 CYS 14 -2.853 -3.622 -1.108
95 H CYS 15 H CYS 15 -0.771 -2.264 -1.777
96 HA CYS 15 HA CYS 15 0.470 -0.192 -0.041
97 1HB CYS 15 HB2 CYS 15 1.242 -1.300 -2.657
98 2HB CYS 15 HB1 CYS 15 1.850 0.107 -2.095
99 H SER 16 H SER 16 0.124 1.968 -0.542
100 HA SER 16 HA SER 16 -2.249 2.533 -2.223
101 1HB SER 16 HB2 SER 16 -2.315 4.521 -0.990
102 2HB SER 16 HB1 SER 16 -1.996 3.343 0.095
103 HG SER 16 HG SER 16 -0.752 5.087 0.529
104 H GLN 17 H GLN 17 -2.284 4.294 -3.801
105 HA GLN 17 HA GLN 17 0.066 4.826 -5.288
106 1HB GLN 17 HB2 GLN 17 -2.569 6.128 -5.061
107 2HB GLN 17 HB1 GLN 17 -1.407 6.805 -5.989
108 1HG GLN 17 HG2 GLN 17 -2.774 5.508 -7.363
109 2HG GLN 17 HG1 GLN 17 -1.309 4.792 -7.279
110 1HE2 GLN 17 1HE2 GLN 17 -2.234 2.741 -7.995
111 2HE2 GLN 17 2HE2 GLN 17 -3.126 1.810 -6.805
112 1HN PFF 18 H PFF 18 -0.806 6.076 -2.194
113 HA PFF 18 HA PFF 18 0.908 8.460 -2.453
114 1HBC PFF 18 HB2 PFF 18 -0.297 7.247 0.052
115 2HBC PFF 18 HB3 PFF 18 0.316 8.885 -0.168
116 HD1 PFF 18 HD1 PFF 18 -0.857 10.336 -2.010
117 HD2 PFF 18 HD2 PFF 18 -2.589 6.754 -0.357
118 HE1 PFF 18 HE1 PFF 18 -3.039 10.912 -3.034
119 HE2 PFF 18 HE2 PFF 18 -4.780 7.353 -1.353
120 H GLY 19 H GLY 19 1.480 5.150 -2.241
121 1HA GLY 19 HA3 GLY 19 3.617 4.250 -2.272
122 2HA GLY 19 HA2 GLY 19 4.266 5.675 -1.457
123 1HN PFF 20 H PFF 20 1.440 4.428 0.195
124 HA PFF 20 HA PFF 20 3.329 3.422 2.279
125 1HBC PFF 20 HB2 PFF 20 0.634 4.788 2.424
126 2HBC PFF 20 HB3 PFF 20 1.420 3.999 3.784
127 HD1 PFF 20 HD1 PFF 20 1.646 6.896 1.497
128 HD2 PFF 20 HD2 PFF 20 3.339 4.892 4.912
129 HE1 PFF 20 HE1 PFF 20 3.065 8.878 1.961
130 HE2 PFF 20 HE2 PFF 20 4.760 6.865 5.366
131 H CYS 21 H CYS 21 2.594 1.807 3.725
132 HA CYS 21 HA CYS 21 1.268 -0.415 2.268
133 1HB CYS 21 HB2 CYS 21 3.506 -0.737 2.901
134 2HB CYS 21 HB1 CYS 21 3.256 -0.237 4.435
135 H GLY 22 H GLY 22 -0.433 -1.554 3.078
136 1HA GLY 22 HA3 GLY 22 -0.632 -2.189 5.806
137 2HA GLY 22 HA2 GLY 22 -1.821 -0.908 5.520
138 H LYS 23 H LYS 23 -2.637 -3.431 6.344
139 HA LYS 23 HA LYS 23 -3.952 -4.590 3.911
140 1HB LYS 23 HB2 LYS 23 -2.819 -6.081 5.536
141 2HB LYS 23 HB1 LYS 23 -3.959 -5.703 6.644
142 1HG LYS 23 HG2 LYS 23 -5.604 -6.431 4.908
143 2HG LYS 23 HG1 LYS 23 -4.329 -7.150 4.185
144 1HD LYS 23 HD2 LYS 23 -5.500 -8.708 5.536
145 2HD LYS 23 HD1 LYS 23 -3.980 -8.496 6.095
146 1HE LYS 23 HE2 LYS 23 -5.675 -8.554 7.836
147 2HE LYS 23 HE1 LYS 23 -4.728 -7.224 7.877
148 1HZ LYS 23 HZ1 LYS 23 -6.410 -5.949 6.856
149 2HZ LYS 23 HZ2 LYS 23 -7.354 -7.287 6.719
150 3HZ LYS 23 HZ3 LYS 23 -7.010 -6.664 8.203
151 H GLY 24 H GLY 24 -4.975 -2.280 4.078
152 1HA GLY 24 HA3 GLY 24 -7.661 -2.685 5.203
153 2HA GLY 24 HA2 GLY 24 -6.775 -1.283 5.832
154 HA PRO 25 HA PRO 25 -9.535 -0.893 1.928
155 1HB PRO 25 HB2 PRO 25 -10.283 1.524 3.461
156 2HB PRO 25 HB1 PRO 25 -11.204 0.641 2.442
157 1HG PRO 25 HG2 PRO 25 -11.406 0.154 4.970
158 2HG PRO 25 HG1 PRO 25 -11.376 -1.121 3.950
159 1HD PRO 25 HD2 PRO 25 -9.234 -0.138 5.591
160 2HD PRO 25 HD1 PRO 25 -9.552 -1.690 5.195
161 H LYS 26 H LYS 26 -8.036 2.119 3.351
162 HA LYS 26 HA LYS 26 -7.627 3.168 0.731
163 1HB LYS 26 HB2 LYS 26 -6.470 4.060 3.289
164 2HB LYS 26 HB1 LYS 26 -6.555 4.941 1.916
165 1HG LYS 26 HG2 LYS 26 -9.035 4.536 2.099
166 2HG LYS 26 HG1 LYS 26 -8.706 4.206 3.665
167 1HD LYS 26 HD2 LYS 26 -8.994 6.357 3.995
168 2HD LYS 26 HD1 LYS 26 -7.499 6.521 3.357
169 1HE LYS 26 HE2 LYS 26 -9.937 6.710 1.828
170 2HE LYS 26 HE1 LYS 26 -9.063 8.000 2.317
171 1HZ LYS 26 HZ1 LYS 26 -8.569 7.642 0.121
172 2HZ LYS 26 HZ2 LYS 26 -7.245 7.230 0.988
173 3HZ LYS 26 HZ3 LYS 26 -8.256 6.044 0.364
174 H TYR 27 H TYR 27 -5.756 0.836 2.362
175 HA TYR 27 HA TYR 27 -3.280 1.520 0.833
176 1HB TYR 27 HB2 TYR 27 -3.892 -0.628 2.775
177 2HB TYR 27 HB1 TYR 27 -2.435 -0.378 2.081
178 HD1 TYR 27 HD1 TYR 27 -1.194 1.789 2.464
179 HD2 TYR 27 HD2 TYR 27 -4.614 0.542 4.756
180 HE1 TYR 27 HE1 TYR 27 -0.646 3.481 4.221
181 HE2 TYR 27 HE2 TYR 27 -4.150 2.373 6.406
182 HH TYR 27 HH TYR 27 -1.307 4.471 6.132
183 H CYS 28 H CYS 28 -5.825 -0.923 1.144
184 HA CYS 28 HA CYS 28 -4.712 -2.410 -1.122
185 1HB CYS 28 HB2 CYS 28 -5.601 -3.199 1.159
186 2HB CYS 28 HB1 CYS 28 -7.050 -3.223 0.406
187 H GLY 29 H GLY 29 -7.929 -0.933 -0.376
188 1HA GLY 29 HA3 GLY 29 -8.706 -1.282 -3.246
189 2HA GLY 29 HA2 GLY 29 -9.794 -0.968 -1.900
190 H ARG 30 H ARG 30 -7.497 1.090 -1.135
191 HA ARG 30 HA ARG 30 -6.861 3.270 -1.472
192 1HB ARG 30 HB2 ARG 30 -8.203 3.110 -4.094
193 2HB ARG 30 HB1 ARG 30 -7.423 4.434 -3.542
194 1HG ARG 30 HG2 ARG 30 -5.786 3.596 -4.744
195 2HG ARG 30 HG1 ARG 30 -5.490 2.782 -3.359
196 1HD ARG 30 HD2 ARG 30 -7.225 1.370 -5.001
197 2HD ARG 30 HD1 ARG 30 -5.813 1.680 -5.761
198 HE ARG 30 HE ARG 30 -6.209 -0.366 -3.933
199 1HH1 ARG 30 2HH2 ARG 30 -3.703 2.067 -4.525
200 2HH1 ARG 30 1HH2 ARG 30 -2.487 1.022 -3.870
201 1HH2 ARG 30 2HH1 ARG 30 -4.564 -1.543 -3.103
202 2HH2 ARG 30 1HH1 ARG 30 -2.950 -0.915 -3.106
203 1HN NH2 31 1HN NH2 31 -10.231 2.741 -2.603
204 2HN NH2 31 2HN NH2 31 -10.915 4.005 -1.575
205 H1 NAG 32 H1 NAG 32 -8.854 13.786 -1.239
206 H2 NAG 32 H2 NAG 32 -7.942 10.892 -1.474
207 H3 NAG 32 H3 NAG 32 -7.613 12.855 0.831
208 H4 NAG 32 H4 NAG 32 -5.605 11.557 -1.067
209 H5 NAG 32 H5 NAG 32 -6.543 14.437 -0.733
210 1H6 NAG 32 1H6 NAG 32 -4.139 14.326 -1.363
211 2H6 NAG 32 2H6 NAG 32 -5.144 14.904 -2.701
212 1H8 NAG 32 1H8 NAG 32 -11.466 10.455 1.463
213 2H8 NAG 32 2H8 NAG 32 -12.133 10.491 -0.198
214 3H8 NAG 32 3H8 NAG 32 -11.679 8.941 0.545
215 HN2 NAG 32 HN2 NAG 32 -10.293 12.092 -0.069
216 HO1 NAG 32 HO1 NAG 32 -8.780 13.097 -3.596
217 HO3 NAG 32 HO3 NAG 32 -6.381 11.169 1.628
218 HO6 NAG 32 HO6 NAG 32 -5.149 12.747 -3.487
219 H1 NAG 33 H1 NAG 33 -3.625 11.245 -0.080
220 H2 NAG 33 H2 NAG 33 -3.157 12.703 2.537
221 H3 NAG 33 H3 NAG 33 -1.497 10.544 1.171
222 H4 NAG 33 H4 NAG 33 -3.142 10.311 3.738
223 H5 NAG 33 H5 NAG 33 -3.603 9.199 0.941
224 1H6 NAG 33 1H6 NAG 33 -5.376 9.000 3.408
225 2H6 NAG 33 2H6 NAG 33 -4.488 7.655 2.667
226 1H8 NAG 33 1H8 NAG 33 -1.334 14.992 -1.017
227 2H8 NAG 33 2H8 NAG 33 -1.432 16.326 0.160
228 3H8 NAG 33 3H8 NAG 33 -0.170 15.082 0.347
229 HN2 NAG 33 HN2 NAG 33 -1.199 12.833 0.288
230 HO3 NAG 33 HO3 NAG 33 -0.541 10.658 3.328
231 HO6 NAG 33 HO6 NAG 33 -6.398 9.278 1.310
232 H1 NAG 34 H1 NAG 34 -2.271 8.581 4.994
233 H2 NAG 34 H2 NAG 34 -0.206 6.857 3.557
234 H3 NAG 34 H3 NAG 34 -1.190 6.974 6.445
235 H4 NAG 34 H4 NAG 34 1.485 7.585 5.106
236 H5 NAG 34 H5 NAG 34 -0.513 9.380 6.530
237 1H6 NAG 34 1H6 NAG 34 0.995 11.188 5.896
238 2H6 NAG 34 2H6 NAG 34 2.056 10.065 5.029
239 1H8 NAG 34 1H8 NAG 34 -4.444 5.333 3.366
240 2H8 NAG 34 2H8 NAG 34 -4.058 5.007 1.652
241 3H8 NAG 34 3H8 NAG 34 -3.591 3.832 2.903
242 HN2 NAG 34 HN2 NAG 34 -2.669 5.677 4.790
243 HO4 NAG 34 HO4 NAG 34 1.848 8.237 7.406
244 HO3 NAG 34 HO3 NAG 34 0.812 5.716 6.547
245 HO6 NAG 34 HO6 NAG 34 2.725 10.704 7.191
Start of MODEL 14
1 1H VAL 1 H1 VAL 1 9.145 9.896 0.553
2 2H VAL 1 H2 VAL 1 8.236 8.936 1.569
3 3H VAL 1 H3 VAL 1 9.152 8.252 0.381
4 HA VAL 1 HA VAL 1 11.145 8.755 1.365
5 HB VAL 1 HB VAL 1 10.588 10.946 2.248
6 1HG1 VAL 1 1HG1 VAL 1 8.322 10.530 3.191
7 2HG1 VAL 1 2HG1 VAL 1 9.053 9.555 4.486
8 3HG1 VAL 1 3HG1 VAL 1 9.417 11.278 4.356
9 1HG2 VAL 1 1HG2 VAL 1 12.547 9.701 3.131
10 2HG2 VAL 1 2HG2 VAL 1 11.865 10.838 4.304
11 3HG2 VAL 1 3HG2 VAL 1 11.548 9.106 4.479
12 H GLY 2 H GLY 2 11.892 6.921 2.226
13 1HA GLY 2 HA3 GLY 2 11.938 4.911 3.403
14 2HA GLY 2 HA2 GLY 2 10.425 5.336 4.226
15 H GLU 3 H GLU 3 8.610 5.570 2.751
16 HA GLU 3 HA GLU 3 6.883 4.348 1.855
17 1HB GLU 3 HB2 GLU 3 6.793 4.902 -0.381
18 2HB GLU 3 HB1 GLU 3 7.604 6.089 0.393
19 1HG GLU 3 HG2 GLU 3 8.916 4.167 -1.269
20 2HG GLU 3 HG1 GLU 3 8.384 5.604 -1.833
21 H CYS 4 H CYS 4 5.987 2.860 0.252
22 HA CYS 4 HA CYS 4 6.243 0.263 0.812
23 1HB CYS 4 HB2 CYS 4 5.706 1.403 -1.864
24 2HB CYS 4 HB1 CYS 4 5.342 -0.131 -1.439
25 H VAL 5 H VAL 5 6.818 -1.649 -0.716
26 HA VAL 5 HA VAL 5 9.646 -1.528 -1.593
27 HB VAL 5 HB VAL 5 7.649 -3.812 -1.720
28 1HG1 VAL 5 1HG1 VAL 5 9.519 -4.070 -3.368
29 2HG1 VAL 5 2HG1 VAL 5 10.688 -3.721 -2.079
30 3HG1 VAL 5 3HG1 VAL 5 9.700 -5.192 -2.021
31 1HG2 VAL 5 1HG2 VAL 5 9.909 -3.243 0.239
32 2HG2 VAL 5 2HG2 VAL 5 8.180 -3.170 0.620
33 3HG2 VAL 5 3HG2 VAL 5 8.921 -4.716 0.187
34 H ARG 6 H ARG 6 8.614 0.366 -2.802
35 HA ARG 6 HA ARG 6 8.017 1.479 -4.645
36 1HB ARG 6 HB2 ARG 6 9.780 -0.605 -5.719
37 2HB ARG 6 HB1 ARG 6 9.227 0.621 -6.646
38 1HG ARG 6 HG2 ARG 6 11.241 1.384 -5.937
39 2HG ARG 6 HG1 ARG 6 10.183 2.128 -4.940
40 1HD ARG 6 HD2 ARG 6 11.352 -0.256 -3.966
41 2HD ARG 6 HD1 ARG 6 12.335 1.044 -4.066
42 HE ARG 6 HE ARG 6 10.318 0.623 -2.080
43 1HH1 ARG 6 2HH2 ARG 6 12.185 3.254 -3.485
44 2HH1 ARG 6 1HH2 ARG 6 12.043 4.149 -2.008
45 1HH2 ARG 6 2HH1 ARG 6 10.204 1.808 -0.345
46 2HH2 ARG 6 1HH1 ARG 6 10.966 3.363 -0.302
47 H GLY 7 H GLY 7 6.129 0.088 -3.690
48 1HA GLY 7 HA3 GLY 7 3.834 0.160 -4.548
49 2HA GLY 7 HA2 GLY 7 4.364 -0.619 -6.018
50 H ARG 8 H ARG 8 5.948 -2.382 -3.619
51 HA ARG 8 HA ARG 8 3.597 -4.165 -3.037
52 1HB ARG 8 HB2 ARG 8 6.439 -4.710 -3.598
53 2HB ARG 8 HB1 ARG 8 5.629 -5.698 -2.580
54 1HG ARG 8 HG2 ARG 8 5.143 -6.846 -4.370
55 2HG ARG 8 HG1 ARG 8 4.030 -5.685 -4.651
56 1HD ARG 8 HD2 ARG 8 6.671 -5.381 -5.706
57 2HD ARG 8 HD1 ARG 8 5.587 -6.303 -6.508
58 HE ARG 8 HE ARG 8 4.165 -4.356 -6.764
59 1HH1 ARG 8 2HH2 ARG 8 7.491 -3.631 -5.845
60 2HH1 ARG 8 1HH2 ARG 8 7.502 -2.171 -6.776
61 1HH2 ARG 8 2HH1 ARG 8 4.325 -2.454 -7.959
62 2HH2 ARG 8 1HH1 ARG 8 5.792 -1.534 -7.917
63 H CYS 9 H CYS 9 4.100 -5.361 -0.820
64 HA CYS 9 HA CYS 9 6.080 -4.085 0.822
65 1HB CYS 9 HB2 CYS 9 3.288 -3.514 1.222
66 2HB CYS 9 HB1 CYS 9 4.021 -4.096 2.560
67 HA PRO 10 HA PRO 10 6.136 -8.276 2.234
68 1HB PRO 10 HB2 PRO 10 6.922 -8.099 4.774
69 2HB PRO 10 HB1 PRO 10 7.941 -7.693 3.564
70 1HG PRO 10 HG2 PRO 10 6.374 -5.888 5.204
71 2HG PRO 10 HG1 PRO 10 7.942 -5.720 4.780
72 1HD PRO 10 HD2 PRO 10 6.063 -4.464 3.450
73 2HD PRO 10 HD1 PRO 10 7.421 -4.965 2.694
74 H SER 11 H SER 11 5.241 -9.831 3.893
75 HA SER 11 HA SER 11 3.313 -10.865 4.629
76 1HB SER 11 HB2 SER 11 3.902 -9.427 6.516
77 2HB SER 11 HB1 SER 11 2.831 -8.309 5.996
78 HG SER 11 HG SER 11 2.054 -9.837 7.590
79 H GLY 12 H GLY 12 0.865 -10.121 5.180
80 1HA GLY 12 HA3 GLY 12 -0.449 -10.062 2.591
81 2HA GLY 12 HA2 GLY 12 -1.260 -9.975 4.155
82 H MET 13 H MET 13 1.123 -7.517 3.052
83 HA MET 13 HA MET 13 -0.982 -5.476 3.572
84 1HB MET 13 HB2 MET 13 1.922 -5.123 3.141
85 2HB MET 13 HB1 MET 13 0.872 -3.991 3.675
86 1HG MET 13 HG2 MET 13 1.614 -6.356 5.133
87 2HG MET 13 HG1 MET 13 2.164 -4.853 5.460
88 1HE MET 13 HE1 MET 13 1.688 -5.130 8.016
89 2HE MET 13 HE2 MET 13 0.105 -5.656 8.634
90 3HE MET 13 HE3 MET 13 1.099 -6.775 7.671
91 H CYS 14 H CYS 14 -1.073 -3.606 2.139
92 HA CYS 14 HA CYS 14 -0.354 -4.147 -0.706
93 1HB CYS 14 HB2 CYS 14 -2.955 -3.015 0.066
94 2HB CYS 14 HB1 CYS 14 -2.530 -3.727 -1.341
95 H CYS 15 H CYS 15 -0.189 -2.090 -1.947
96 HA CYS 15 HA CYS 15 0.756 0.119 -0.177
97 1HB CYS 15 HB2 CYS 15 2.306 -0.969 -1.699
98 2HB CYS 15 HB1 CYS 15 1.398 -0.530 -2.984
99 H SER 16 H SER 16 0.394 2.368 -0.896
100 HA SER 16 HA SER 16 -2.031 2.706 -2.631
101 1HB SER 16 HB2 SER 16 -2.639 4.461 -1.286
102 2HB SER 16 HB1 SER 16 -2.052 3.413 -0.180
103 HG SER 16 HG SER 16 -1.142 5.226 0.412
104 H GLN 17 H GLN 17 -2.163 4.872 -3.698
105 HA GLN 17 HA GLN 17 0.027 5.531 -5.373
106 1HB GLN 17 HB2 GLN 17 -2.373 7.031 -4.511
107 2HB GLN 17 HB1 GLN 17 -1.322 7.628 -5.610
108 1HG GLN 17 HG2 GLN 17 -1.800 5.817 -7.066
109 2HG GLN 17 HG1 GLN 17 -2.828 5.191 -5.962
110 1HE2 GLN 17 1HE2 GLN 17 -2.853 6.863 -8.800
111 2HE2 GLN 17 2HE2 GLN 17 -4.341 7.757 -8.503
112 1HN PFF 18 H PFF 18 -0.317 6.245 -1.987
113 HA PFF 18 HA PFF 18 1.382 8.674 -2.205
114 1HBC PFF 18 HB2 PFF 18 0.007 7.327 0.126
115 2HBC PFF 18 HB3 PFF 18 0.873 8.859 0.213
116 HD1 PFF 18 HD1 PFF 18 0.027 10.749 -1.424
117 HD2 PFF 18 HD2 PFF 18 -2.273 7.214 -0.545
118 HE1 PFF 18 HE1 PFF 18 -1.911 11.698 -2.653
119 HE2 PFF 18 HE2 PFF 18 -4.226 8.195 -1.716
120 H GLY 19 H GLY 19 1.988 5.413 -2.328
121 1HA GLY 19 HA3 GLY 19 4.009 4.304 -2.037
122 2HA GLY 19 HA2 GLY 19 4.736 5.794 -1.416
123 1HN PFF 20 H PFF 20 1.791 4.919 0.221
124 HA PFF 20 HA PFF 20 3.388 3.798 2.474
125 1HBC PFF 20 HB2 PFF 20 0.605 5.027 2.312
126 2HBC PFF 20 HB3 PFF 20 1.392 4.469 3.781
127 HD1 PFF 20 HD1 PFF 20 4.029 5.549 3.783
128 HD2 PFF 20 HD2 PFF 20 0.476 7.399 2.232
129 HE1 PFF 20 HE1 PFF 20 4.845 7.765 4.561
130 HE2 PFF 20 HE2 PFF 20 1.334 9.617 2.910
131 H CYS 21 H CYS 21 2.365 1.905 3.609
132 HA CYS 21 HA CYS 21 0.354 0.480 1.970
133 1HB CYS 21 HB2 CYS 21 1.685 -1.457 1.919
134 2HB CYS 21 HB1 CYS 21 2.594 -0.246 1.308
135 H GLY 22 H GLY 22 -0.525 -1.427 2.985
136 1HA GLY 22 HA3 GLY 22 -0.139 -2.204 5.675
137 2HA GLY 22 HA2 GLY 22 -1.377 -0.935 5.676
138 H LYS 23 H LYS 23 -2.351 -3.212 6.552
139 HA LYS 23 HA LYS 23 -3.150 -5.053 4.525
140 1HB LYS 23 HB2 LYS 23 -2.996 -5.592 6.895
141 2HB LYS 23 HB1 LYS 23 -4.278 -4.637 7.230
142 1HG LYS 23 HG2 LYS 23 -5.102 -6.773 7.258
143 2HG LYS 23 HG1 LYS 23 -5.614 -6.140 5.841
144 1HD LYS 23 HD2 LYS 23 -3.236 -7.351 5.346
145 2HD LYS 23 HD1 LYS 23 -4.132 -8.407 6.212
146 1HE LYS 23 HE2 LYS 23 -4.654 -8.950 4.076
147 2HE LYS 23 HE1 LYS 23 -5.904 -7.995 4.514
148 1HZ LYS 23 HZ1 LYS 23 -4.961 -6.177 3.376
149 2HZ LYS 23 HZ2 LYS 23 -3.628 -7.105 3.018
150 3HZ LYS 23 HZ3 LYS 23 -5.083 -7.446 2.342
151 H GLY 24 H GLY 24 -4.590 -2.325 5.733
152 1HA GLY 24 HA3 GLY 24 -7.284 -3.124 5.384
153 2HA GLY 24 HA2 GLY 24 -6.787 -1.503 5.872
154 HA PRO 25 HA PRO 25 -9.061 -1.870 1.655
155 1HB PRO 25 HB2 PRO 25 -10.788 0.005 3.144
156 2HB PRO 25 HB1 PRO 25 -11.208 -1.079 1.997
157 1HG PRO 25 HG2 PRO 25 -11.578 -1.730 4.468
158 2HG PRO 25 HG1 PRO 25 -10.992 -2.870 3.455
159 1HD PRO 25 HD2 PRO 25 -9.521 -1.292 5.359
160 2HD PRO 25 HD1 PRO 25 -9.284 -2.863 4.977
161 H LYS 26 H LYS 26 -8.319 1.024 3.694
162 HA LYS 26 HA LYS 26 -8.260 2.851 1.524
163 1HB LYS 26 HB2 LYS 26 -7.093 2.827 4.224
164 2HB LYS 26 HB1 LYS 26 -6.591 3.984 3.187
165 1HG LYS 26 HG2 LYS 26 -9.349 3.558 3.900
166 2HG LYS 26 HG1 LYS 26 -8.414 4.728 4.554
167 1HD LYS 26 HD2 LYS 26 -9.242 4.598 1.794
168 2HD LYS 26 HD1 LYS 26 -9.789 5.673 2.896
169 1HE LYS 26 HE2 LYS 26 -8.324 6.992 1.910
170 2HE LYS 26 HE1 LYS 26 -7.301 6.292 2.974
171 1HZ LYS 26 HZ1 LYS 26 -6.528 4.811 1.246
172 2HZ LYS 26 HZ2 LYS 26 -7.568 5.483 0.211
173 3HZ LYS 26 HZ3 LYS 26 -6.351 6.409 0.856
174 H TYR 27 H TYR 27 -5.960 0.412 2.284
175 HA TYR 27 HA TYR 27 -4.110 1.583 0.239
176 1HB TYR 27 HB2 TYR 27 -3.691 -0.863 1.828
177 2HB TYR 27 HB1 TYR 27 -2.583 -0.010 0.985
178 HD1 TYR 27 HD1 TYR 27 -1.691 2.171 1.834
179 HD2 TYR 27 HD2 TYR 27 -4.306 -0.358 4.104
180 HE1 TYR 27 HE1 TYR 27 -0.811 3.171 3.953
181 HE2 TYR 27 HE2 TYR 27 -3.637 0.867 6.198
182 HH TYR 27 HH TYR 27 -1.160 3.406 6.174
183 H CYS 28 H CYS 28 -5.717 -1.488 1.204
184 HA CYS 28 HA CYS 28 -4.868 -2.678 -1.258
185 1HB CYS 28 HB2 CYS 28 -5.176 -3.554 1.143
186 2HB CYS 28 HB1 CYS 28 -6.693 -3.922 0.664
187 H GLY 29 H GLY 29 -7.799 -1.082 -0.381
188 1HA GLY 29 HA3 GLY 29 -8.902 -1.749 -3.078
189 2HA GLY 29 HA2 GLY 29 -9.938 -1.426 -1.677
190 H ARG 30 H ARG 30 -6.946 0.325 -1.849
191 HA ARG 30 HA ARG 30 -6.377 2.448 -1.937
192 1HB ARG 30 HB2 ARG 30 -6.672 1.972 -4.250
193 2HB ARG 30 HB1 ARG 30 -8.262 2.347 -4.219
194 1HG ARG 30 HG2 ARG 30 -7.018 4.057 -5.272
195 2HG ARG 30 HG1 ARG 30 -7.741 4.620 -3.920
196 1HD ARG 30 HD2 ARG 30 -5.654 4.360 -2.745
197 2HD ARG 30 HD1 ARG 30 -4.951 3.917 -4.151
198 HE ARG 30 HE ARG 30 -4.963 6.117 -4.927
199 1HH1 ARG 30 2HH2 ARG 30 -6.995 5.890 -2.064
200 2HH1 ARG 30 1HH2 ARG 30 -7.288 7.597 -2.085
201 1HH2 ARG 30 2HH1 ARG 30 -5.367 8.228 -4.854
202 2HH2 ARG 30 1HH1 ARG 30 -6.392 8.883 -3.622
203 1HN NH2 31 1HN NH2 31 -9.871 2.162 -1.495
204 2HN NH2 31 2HN NH2 31 -10.041 3.720 -0.704
205 H1 NAG 32 H1 NAG 32 -8.281 13.763 -1.041
206 H2 NAG 32 H2 NAG 32 -6.669 11.555 -2.346
207 H3 NAG 32 H3 NAG 32 -6.995 11.972 0.645
208 H4 NAG 32 H4 NAG 32 -4.537 12.408 -1.135
209 H5 NAG 32 H5 NAG 32 -6.441 14.335 0.261
210 1H6 NAG 32 1H6 NAG 32 -4.924 15.987 -1.157
211 2H6 NAG 32 2H6 NAG 32 -3.671 14.779 -0.838
212 1H8 NAG 32 1H8 NAG 32 -10.311 9.218 -0.775
213 2H8 NAG 32 2H8 NAG 32 -10.789 10.029 -2.295
214 3H8 NAG 32 3H8 NAG 32 -10.102 8.392 -2.344
215 HN2 NAG 32 HN2 NAG 32 -9.341 11.531 -0.992
216 HO1 NAG 32 HO1 NAG 32 -7.639 14.302 -3.371
217 HO3 NAG 32 HO3 NAG 32 -5.180 10.406 0.271
218 HO6 NAG 32 HO6 NAG 32 -3.790 15.285 1.285
219 H1 NAG 33 H1 NAG 33 -3.103 11.193 0.265
220 H2 NAG 33 H2 NAG 33 -2.832 12.445 3.008
221 H3 NAG 33 H3 NAG 33 -1.192 10.165 1.865
222 H4 NAG 33 H4 NAG 33 -3.266 9.920 4.106
223 H5 NAG 33 H5 NAG 33 -3.266 9.005 1.199
224 1H6 NAG 33 1H6 NAG 33 -5.580 8.820 3.154
225 2H6 NAG 33 2H6 NAG 33 -4.493 7.474 2.801
226 1H8 NAG 33 1H8 NAG 33 0.719 14.471 1.493
227 2H8 NAG 33 2H8 NAG 33 -0.026 14.378 -0.137
228 3H8 NAG 33 3H8 NAG 33 -0.317 15.793 0.904
229 HN2 NAG 33 HN2 NAG 33 -0.507 12.312 1.176
230 HO3 NAG 33 HO3 NAG 33 -0.618 10.179 4.157
231 HO6 NAG 33 HO6 NAG 33 -6.036 8.863 0.835
232 H1 NAG 34 H1 NAG 34 -2.660 8.017 5.355
233 H2 NAG 34 H2 NAG 34 -0.506 6.401 3.929
234 H3 NAG 34 H3 NAG 34 -1.498 6.112 6.765
235 H4 NAG 34 H4 NAG 34 1.183 7.072 5.577
236 H5 NAG 34 H5 NAG 34 -1.021 8.434 7.193
237 1H6 NAG 34 1H6 NAG 34 0.359 10.432 7.057
238 2H6 NAG 34 2H6 NAG 34 1.592 9.580 6.114
239 1H8 NAG 34 1H8 NAG 34 -3.832 4.070 1.702
240 2H8 NAG 34 2H8 NAG 34 -4.015 3.682 3.434
241 3H8 NAG 34 3H8 NAG 34 -4.700 5.205 2.778
242 HN2 NAG 34 HN2 NAG 34 -3.075 5.232 4.896
243 HO4 NAG 34 HO4 NAG 34 1.401 7.323 8.014
244 HO3 NAG 34 HO3 NAG 34 0.558 4.957 6.698
245 HO6 NAG 34 HO6 NAG 34 2.038 9.820 8.395
Start of MODEL 15
1 1H VAL 1 H1 VAL 1 9.965 2.717 5.028
2 2H VAL 1 H2 VAL 1 11.079 1.904 4.230
3 3H VAL 1 H3 VAL 1 10.912 1.660 5.905
4 HA VAL 1 HA VAL 1 9.171 0.883 3.667
5 HB VAL 1 HB VAL 1 10.224 -0.760 6.013
6 1HG1 VAL 1 1HG1 VAL 1 9.280 -2.667 4.674
7 2HG1 VAL 1 2HG1 VAL 1 8.023 -1.588 5.282
8 3HG1 VAL 1 3HG1 VAL 1 8.524 -1.491 3.579
9 1HG2 VAL 1 1HG2 VAL 1 12.012 -0.262 4.391
10 2HG2 VAL 1 2HG2 VAL 1 11.489 -1.934 4.199
11 3HG2 VAL 1 3HG2 VAL 1 10.938 -0.706 3.042
12 H GLY 2 H GLY 2 7.123 1.107 3.825
13 1HA GLY 2 HA3 GLY 2 5.083 1.209 5.524
14 2HA GLY 2 HA2 GLY 2 6.100 2.499 6.221
15 H GLU 3 H GLU 3 7.321 3.624 4.090
16 HA GLU 3 HA GLU 3 5.456 4.271 1.924
17 1HB GLU 3 HB2 GLU 3 7.223 5.336 1.025
18 2HB GLU 3 HB1 GLU 3 7.547 5.537 2.613
19 1HG GLU 3 HG2 GLU 3 8.903 3.725 0.847
20 2HG GLU 3 HG1 GLU 3 9.529 5.101 1.464
21 H CYS 4 H CYS 4 5.566 3.086 -0.124
22 HA CYS 4 HA CYS 4 5.622 0.301 0.489
23 1HB CYS 4 HB2 CYS 4 5.461 1.441 -2.218
24 2HB CYS 4 HB1 CYS 4 4.916 -0.018 -1.727
25 H VAL 5 H VAL 5 6.713 -1.426 -0.584
26 HA VAL 5 HA VAL 5 9.614 -0.986 -0.921
27 HB VAL 5 HB VAL 5 8.018 -3.577 -0.856
28 1HG1 VAL 5 1HG1 VAL 5 10.248 -3.809 -1.979
29 2HG1 VAL 5 2HG1 VAL 5 11.017 -2.988 -0.605
30 3HG1 VAL 5 3HG1 VAL 5 10.257 -4.577 -0.392
31 1HG2 VAL 5 1HG2 VAL 5 7.880 -2.396 1.310
32 2HG2 VAL 5 2HG2 VAL 5 8.941 -3.804 1.433
33 3HG2 VAL 5 3HG2 VAL 5 9.640 -2.176 1.310
34 H ARG 6 H ARG 6 8.516 0.359 -2.740
35 HA ARG 6 HA ARG 6 8.531 0.838 -4.966
36 1HB ARG 6 HB2 ARG 6 10.685 -1.184 -4.863
37 2HB ARG 6 HB1 ARG 6 10.453 -0.154 -6.110
38 1HG ARG 6 HG2 ARG 6 12.023 0.958 -4.984
39 2HG ARG 6 HG1 ARG 6 10.681 1.618 -4.327
40 1HD ARG 6 HD2 ARG 6 11.668 -0.584 -2.897
41 2HD ARG 6 HD1 ARG 6 12.686 0.694 -2.924
42 HE ARG 6 HE ARG 6 9.983 1.239 -2.028
43 1HH1 ARG 6 2HH2 ARG 6 13.340 0.947 -0.985
44 2HH1 ARG 6 1HH2 ARG 6 12.929 1.512 0.600
45 1HH2 ARG 6 2HH1 ARG 6 9.561 1.825 -0.041
46 2HH2 ARG 6 1HH1 ARG 6 10.832 1.998 1.123
47 H GLY 7 H GLY 7 6.609 -0.746 -4.226
48 1HA GLY 7 HA3 GLY 7 4.888 -1.399 -6.039
49 2HA GLY 7 HA2 GLY 7 6.069 -2.606 -6.540
50 H ARG 8 H ARG 8 6.571 -2.946 -3.345
51 HA ARG 8 HA ARG 8 4.053 -4.479 -2.817
52 1HB ARG 8 HB2 ARG 8 6.785 -5.432 -3.028
53 2HB ARG 8 HB1 ARG 8 6.019 -5.927 -1.673
54 1HG ARG 8 HG2 ARG 8 5.236 -6.483 -4.376
55 2HG ARG 8 HG1 ARG 8 5.739 -7.573 -3.269
56 1HD ARG 8 HD2 ARG 8 3.183 -6.275 -3.365
57 2HD ARG 8 HD1 ARG 8 3.475 -7.877 -3.490
58 HE ARG 8 HE ARG 8 4.268 -7.425 -0.953
59 1HH1 ARG 8 2HH2 ARG 8 1.270 -6.640 -2.652
60 2HH1 ARG 8 1HH2 ARG 8 0.350 -6.738 -1.188
61 1HH2 ARG 8 2HH1 ARG 8 2.968 -7.445 0.862
62 2HH2 ARG 8 1HH1 ARG 8 1.265 -7.171 0.705
63 H CYS 9 H CYS 9 4.317 -5.388 -0.469
64 HA CYS 9 HA CYS 9 6.149 -4.116 1.226
65 1HB CYS 9 HB2 CYS 9 3.476 -3.130 1.275
66 2HB CYS 9 HB1 CYS 9 3.875 -3.778 2.720
67 HA PRO 10 HA PRO 10 5.996 -7.964 3.269
68 1HB PRO 10 HB2 PRO 10 4.623 -6.879 5.649
69 2HB PRO 10 HB1 PRO 10 5.904 -7.890 5.584
70 1HG PRO 10 HG2 PRO 10 6.380 -5.386 5.957
71 2HG PRO 10 HG1 PRO 10 7.345 -6.190 4.913
72 1HD PRO 10 HD2 PRO 10 5.141 -4.448 4.278
73 2HD PRO 10 HD1 PRO 10 6.563 -4.578 3.484
74 H SER 11 H SER 11 4.698 -9.617 4.603
75 HA SER 11 HA SER 11 2.800 -10.861 3.048
76 1HB SER 11 HB2 SER 11 2.378 -12.083 5.144
77 2HB SER 11 HB1 SER 11 3.976 -11.909 4.857
78 HG SER 11 HG SER 11 2.513 -10.189 6.444
79 H GLY 12 H GLY 12 0.833 -10.109 2.424
80 1HA GLY 12 HA3 GLY 12 -1.455 -9.795 2.784
81 2HA GLY 12 HA2 GLY 12 -1.162 -9.616 4.513
82 H MET 13 H MET 13 0.976 -7.428 3.038
83 HA MET 13 HA MET 13 -0.974 -5.237 3.441
84 1HB MET 13 HB2 MET 13 1.884 -5.130 2.747
85 2HB MET 13 HB1 MET 13 0.949 -3.849 3.135
86 1HG MET 13 HG2 MET 13 0.527 -4.964 5.274
87 2HG MET 13 HG1 MET 13 1.722 -6.002 4.875
88 1HE MET 13 HE1 MET 13 3.353 -3.972 7.754
89 2HE MET 13 HE2 MET 13 1.646 -4.453 7.618
90 3HE MET 13 HE3 MET 13 2.932 -5.601 7.177
91 H CYS 14 H CYS 14 -1.090 -3.461 1.903
92 HA CYS 14 HA CYS 14 -0.408 -4.118 -0.924
93 1HB CYS 14 HB2 CYS 14 -2.800 -2.602 -0.078
94 2HB CYS 14 HB1 CYS 14 -2.352 -2.937 -1.612
95 H CYS 15 H CYS 15 -0.133 -2.061 -2.158
96 HA CYS 15 HA CYS 15 1.033 0.149 -0.543
97 1HB CYS 15 HB2 CYS 15 2.225 -0.837 -2.467
98 2HB CYS 15 HB1 CYS 15 1.031 -0.339 -3.463
99 H SER 16 H SER 16 0.292 2.393 -1.127
100 HA SER 16 HA SER 16 -2.503 2.461 -2.197
101 1HB SER 16 HB2 SER 16 -2.996 3.930 -0.525
102 2HB SER 16 HB1 SER 16 -1.934 2.977 0.269
103 HG SER 16 HG SER 16 -1.345 5.024 0.739
104 H GLN 17 H GLN 17 -3.195 4.626 -2.888
105 HA GLN 17 HA GLN 17 -1.755 5.925 -4.860
106 1HB GLN 17 HB2 GLN 17 -4.162 5.916 -4.277
107 2HB GLN 17 HB1 GLN 17 -3.867 6.965 -3.060
108 1HG GLN 17 HG2 GLN 17 -2.925 7.917 -5.492
109 2HG GLN 17 HG1 GLN 17 -4.536 7.649 -5.525
110 1HE2 GLN 17 1HE2 GLN 17 -2.002 9.517 -4.035
111 2HE2 GLN 17 2HE2 GLN 17 -3.115 10.756 -3.415
112 1HN PFF 18 H PFF 18 -1.064 6.119 -1.458
113 HA PFF 18 HA PFF 18 0.207 8.799 -1.770
114 1HBC PFF 18 HB2 PFF 18 -0.367 7.017 0.627
115 2HBC PFF 18 HB3 PFF 18 0.645 8.430 0.747
116 HD1 PFF 18 HD1 PFF 18 -2.821 7.267 0.335
117 HD2 PFF 18 HD2 PFF 18 -0.205 10.680 0.122
118 HE1 PFF 18 HE1 PFF 18 -4.688 8.652 -0.551
119 HE2 PFF 18 HE2 PFF 18 -2.067 12.057 -0.753
120 H GLY 19 H GLY 19 1.082 5.644 -2.532
121 1HA GLY 19 HA3 GLY 19 3.190 4.670 -2.788
122 2HA GLY 19 HA2 GLY 19 3.957 6.190 -2.293
123 1HN PFF 20 H PFF 20 1.465 4.914 -0.240
124 HA PFF 20 HA PFF 20 3.445 3.993 1.791
125 1HBC PFF 20 HB2 PFF 20 0.946 5.672 1.921
126 2HBC PFF 20 HB3 PFF 20 1.337 4.620 3.267
127 HD1 PFF 20 HD1 PFF 20 3.148 4.928 4.680
128 HD2 PFF 20 HD2 PFF 20 2.569 7.593 1.398
129 HE1 PFF 20 HE1 PFF 20 4.930 6.431 5.607
130 HE2 PFF 20 HE2 PFF 20 4.225 9.169 2.360
131 H CYS 21 H CYS 21 2.680 2.211 3.175
132 HA CYS 21 HA CYS 21 0.677 0.532 1.709
133 1HB CYS 21 HB2 CYS 21 2.203 -1.183 1.684
134 2HB CYS 21 HB1 CYS 21 3.098 0.118 1.267
135 H GLY 22 H GLY 22 -0.176 -1.305 2.779
136 1HA GLY 22 HA3 GLY 22 0.240 -1.984 5.488
137 2HA GLY 22 HA2 GLY 22 -1.039 -0.764 5.477
138 H LYS 23 H LYS 23 -1.718 -3.101 6.485
139 HA LYS 23 HA LYS 23 -2.695 -4.989 4.453
140 1HB LYS 23 HB2 LYS 23 -3.170 -6.361 6.377
141 2HB LYS 23 HB1 LYS 23 -1.600 -5.922 6.273
142 1HG LYS 23 HG2 LYS 23 -1.735 -4.553 8.062
143 2HG LYS 23 HG1 LYS 23 -3.351 -4.373 7.913
144 1HD LYS 23 HD2 LYS 23 -2.470 -6.977 8.583
145 2HD LYS 23 HD1 LYS 23 -2.302 -5.853 9.756
146 1HE LYS 23 HE2 LYS 23 -4.359 -6.978 10.027
147 2HE LYS 23 HE1 LYS 23 -4.636 -5.410 9.664
148 1HZ LYS 23 HZ1 LYS 23 -5.136 -5.973 7.450
149 2HZ LYS 23 HZ2 LYS 23 -4.789 -7.551 7.756
150 3HZ LYS 23 HZ3 LYS 23 -6.093 -6.834 8.460
151 H GLY 24 H GLY 24 -4.180 -2.932 3.828
152 1HA GLY 24 HA3 GLY 24 -6.672 -4.177 3.922
153 2HA GLY 24 HA2 GLY 24 -6.755 -2.958 5.199
154 HA PRO 25 HA PRO 25 -8.269 -1.563 0.912
155 1HB PRO 25 HB2 PRO 25 -10.438 -0.668 2.696
156 2HB PRO 25 HB1 PRO 25 -10.535 -1.203 1.156
157 1HG PRO 25 HG2 PRO 25 -11.096 -2.867 3.044
158 2HG PRO 25 HG1 PRO 25 -10.207 -3.412 1.787
159 1HD PRO 25 HD2 PRO 25 -9.264 -2.634 4.395
160 2HD PRO 25 HD1 PRO 25 -8.732 -3.876 3.478
161 H LYS 26 H LYS 26 -7.968 0.172 4.027
162 HA LYS 26 HA LYS 26 -8.055 2.822 3.159
163 1HB LYS 26 HB2 LYS 26 -6.380 1.437 5.175
164 2HB LYS 26 HB1 LYS 26 -6.145 3.029 4.892
165 1HG LYS 26 HG2 LYS 26 -8.636 1.885 5.785
166 2HG LYS 26 HG1 LYS 26 -7.599 2.701 6.748
167 1HD LYS 26 HD2 LYS 26 -9.190 3.805 4.616
168 2HD LYS 26 HD1 LYS 26 -9.280 4.196 6.199
169 1HE LYS 26 HE2 LYS 26 -8.068 5.935 5.639
170 2HE LYS 26 HE1 LYS 26 -6.815 4.887 5.661
171 1HZ LYS 26 HZ1 LYS 26 -6.761 6.165 3.725
172 2HZ LYS 26 HZ2 LYS 26 -7.024 4.623 3.259
173 3HZ LYS 26 HZ3 LYS 26 -8.267 5.770 3.351
174 H TYR 27 H TYR 27 -5.558 0.460 2.734
175 HA TYR 27 HA TYR 27 -3.812 2.368 1.265
176 1HB TYR 27 HB2 TYR 27 -3.390 -0.358 2.362
177 2HB TYR 27 HB1 TYR 27 -2.276 0.441 1.474
178 HD1 TYR 27 HD1 TYR 27 -1.176 2.456 2.272
179 HD2 TYR 27 HD2 TYR 27 -3.825 0.191 4.755
180 HE1 TYR 27 HE1 TYR 27 -0.175 3.528 4.299
181 HE2 TYR 27 HE2 TYR 27 -2.999 1.472 6.759
182 HH TYR 27 HH TYR 27 -0.439 3.960 6.453
183 H CYS 28 H CYS 28 -5.315 -0.881 1.067
184 HA CYS 28 HA CYS 28 -4.297 -1.410 -1.509
185 1HB CYS 28 HB2 CYS 28 -5.161 -2.852 0.431
186 2HB CYS 28 HB1 CYS 28 -6.612 -2.761 -0.313
187 H GLY 29 H GLY 29 -7.211 0.293 -0.585
188 1HA GLY 29 HA3 GLY 29 -7.738 0.742 -3.495
189 2HA GLY 29 HA2 GLY 29 -9.069 0.524 -2.346
190 H ARG 30 H ARG 30 -6.080 2.136 -1.439
191 HA ARG 30 HA ARG 30 -5.851 3.962 -0.136
192 1HB ARG 30 HB2 ARG 30 -5.832 5.938 -1.332
193 2HB ARG 30 HB1 ARG 30 -5.396 4.744 -2.358
194 1HG ARG 30 HG2 ARG 30 -6.972 5.270 -3.775
195 2HG ARG 30 HG1 ARG 30 -8.101 5.355 -2.599
196 1HD ARG 30 HD2 ARG 30 -6.214 7.489 -3.065
197 2HD ARG 30 HD1 ARG 30 -7.698 7.479 -3.748
198 HE ARG 30 HE ARG 30 -8.109 7.107 -1.063
199 1HH1 ARG 30 2HH2 ARG 30 -6.435 9.724 -2.737
200 2HH1 ARG 30 1HH2 ARG 30 -7.061 10.906 -1.637
201 1HH2 ARG 30 2HH1 ARG 30 -9.022 8.723 0.130
202 2HH2 ARG 30 1HH1 ARG 30 -8.480 10.357 -0.064
203 1HN NH2 31 1HN NH2 31 -9.458 4.006 1.057
204 2HN NH2 31 2HN NH2 31 -8.435 2.696 0.473
205 H1 NAG 32 H1 NAG 32 -10.763 11.500 2.558
206 H2 NAG 32 H2 NAG 32 -8.809 9.181 2.321
207 H3 NAG 32 H3 NAG 32 -8.686 11.570 4.198
208 H4 NAG 32 H4 NAG 32 -7.013 10.564 1.842
209 H5 NAG 32 H5 NAG 32 -8.717 13.046 2.319
210 1H6 NAG 32 1H6 NAG 32 -6.882 13.761 0.937
211 2H6 NAG 32 2H6 NAG 32 -8.255 13.462 -0.131
212 1H8 NAG 32 1H8 NAG 32 -11.054 6.338 5.207
213 2H8 NAG 32 2H8 NAG 32 -10.845 7.843 6.140
214 3H8 NAG 32 3H8 NAG 32 -12.129 7.719 4.898
215 HN2 NAG 32 HN2 NAG 32 -10.824 9.751 4.487
216 HO1 NAG 32 HO1 NAG 32 -11.313 10.585 0.547
217 HO3 NAG 32 HO3 NAG 32 -6.695 10.401 4.622
218 HO6 NAG 32 HO6 NAG 32 -5.817 12.331 -0.050
219 H1 NAG 33 H1 NAG 33 -4.803 10.991 1.892
220 H2 NAG 33 H2 NAG 33 -3.893 12.350 4.459
221 H3 NAG 33 H3 NAG 33 -2.285 10.814 2.391
222 H4 NAG 33 H4 NAG 33 -2.996 10.006 5.221
223 H5 NAG 33 H5 NAG 33 -4.120 8.900 2.615
224 1H6 NAG 33 1H6 NAG 33 -4.866 8.492 5.575
225 2H6 NAG 33 2H6 NAG 33 -4.059 7.291 4.569
226 1H8 NAG 33 1H8 NAG 33 -3.390 15.089 -0.072
227 2H8 NAG 33 2H8 NAG 33 -3.329 15.747 1.582
228 3H8 NAG 33 3H8 NAG 33 -1.948 14.804 0.934
229 HN2 NAG 33 HN2 NAG 33 -2.639 13.909 3.104
230 HO3 NAG 33 HO3 NAG 33 -0.831 10.820 4.277
231 HO6 NAG 33 HO6 NAG 33 -6.632 8.433 4.179
232 H1 NAG 34 H1 NAG 34 -1.769 8.335 5.901
233 H2 NAG 34 H2 NAG 34 0.046 6.903 3.906
234 H3 NAG 34 H3 NAG 34 -0.484 6.703 6.916
235 H4 NAG 34 H4 NAG 34 1.904 7.583 5.227
236 H5 NAG 34 H5 NAG 34 0.185 9.112 7.191
237 1H6 NAG 34 1H6 NAG 34 1.535 11.029 6.500
238 2H6 NAG 34 2H6 NAG 34 2.419 10.038 5.325
239 1H8 NAG 34 1H8 NAG 34 -4.313 5.419 3.359
240 2H8 NAG 34 2H8 NAG 34 -3.469 4.029 2.682
241 3H8 NAG 34 3H8 NAG 34 -3.576 4.193 4.446
242 HN2 NAG 34 HN2 NAG 34 -2.288 5.692 5.415
243 HO4 NAG 34 HO4 NAG 34 2.675 7.952 7.483
244 HO3 NAG 34 HO3 NAG 34 1.517 5.501 6.592
245 HO6 NAG 34 HO6 NAG 34 3.539 10.401 7.322
Start of MODEL 16
1 1H VAL 1 H1 VAL 1 6.211 7.679 6.415
2 2H VAL 1 H2 VAL 1 7.366 7.388 5.237
3 3H VAL 1 H3 VAL 1 7.753 8.266 6.554
4 HA VAL 1 HA VAL 1 8.581 5.946 6.449
5 HB VAL 1 HB VAL 1 8.072 5.405 8.814
6 1HG1 VAL 1 1HG1 VAL 1 8.908 8.301 8.331
7 2HG1 VAL 1 2HG1 VAL 1 9.327 7.268 9.705
8 3HG1 VAL 1 3HG1 VAL 1 9.942 6.872 8.094
9 1HG2 VAL 1 1HG2 VAL 1 6.899 7.009 10.218
10 2HG2 VAL 1 2HG2 VAL 1 6.475 8.014 8.830
11 3HG2 VAL 1 3HG2 VAL 1 5.776 6.384 9.010
12 H GLY 2 H GLY 2 8.114 3.940 5.987
13 1HA GLY 2 HA3 GLY 2 6.803 1.853 6.166
14 2HA GLY 2 HA2 GLY 2 5.337 2.820 6.372
15 H GLU 3 H GLU 3 7.814 3.705 4.050
16 HA GLU 3 HA GLU 3 5.803 3.738 1.923
17 1HB GLU 3 HB2 GLU 3 7.733 4.792 0.730
18 2HB GLU 3 HB1 GLU 3 6.989 5.630 1.919
19 1HG GLU 3 HG2 GLU 3 9.511 4.326 2.336
20 2HG GLU 3 HG1 GLU 3 9.406 5.878 1.836
21 H CYS 4 H CYS 4 5.940 2.721 -0.085
22 HA CYS 4 HA CYS 4 6.691 -0.003 0.427
23 1HB CYS 4 HB2 CYS 4 5.685 1.061 -2.123
24 2HB CYS 4 HB1 CYS 4 5.548 -0.465 -1.559
25 H VAL 5 H VAL 5 7.844 -1.416 -0.776
26 HA VAL 5 HA VAL 5 10.352 -0.559 -2.044
27 HB VAL 5 HB VAL 5 9.122 -3.342 -1.765
28 1HG1 VAL 5 1HG1 VAL 5 10.808 -3.196 -3.585
29 2HG1 VAL 5 2HG1 VAL 5 11.947 -2.408 -2.469
30 3HG1 VAL 5 3HG1 VAL 5 11.447 -4.090 -2.203
31 1HG2 VAL 5 1HG2 VAL 5 10.792 -3.622 0.050
32 2HG2 VAL 5 2HG2 VAL 5 11.214 -1.902 -0.082
33 3HG2 VAL 5 3HG2 VAL 5 9.592 -2.390 0.450
34 H ARG 6 H ARG 6 9.199 0.765 -3.534
35 HA ARG 6 HA ARG 6 8.487 1.309 -5.616
36 1HB ARG 6 HB2 ARG 6 10.492 -0.520 -5.930
37 2HB ARG 6 HB1 ARG 6 9.354 -1.079 -6.960
38 1HG ARG 6 HG2 ARG 6 10.445 1.586 -7.020
39 2HG ARG 6 HG1 ARG 6 10.847 0.399 -8.067
40 1HD ARG 6 HD2 ARG 6 8.300 1.734 -7.919
41 2HD ARG 6 HD1 ARG 6 9.363 1.821 -9.157
42 HE ARG 6 HE ARG 6 7.597 -0.355 -8.534
43 1HH1 ARG 6 2HH2 ARG 6 10.138 0.731 -10.719
44 2HH1 ARG 6 1HH2 ARG 6 9.821 -0.537 -11.855
45 1HH2 ARG 6 2HH1 ARG 6 7.223 -1.928 -10.054
46 2HH2 ARG 6 1HH1 ARG 6 8.196 -2.019 -11.484
47 H GLY 7 H GLY 7 6.712 0.189 -4.015
48 1HA GLY 7 HA3 GLY 7 4.304 0.121 -4.585
49 2HA GLY 7 HA2 GLY 7 4.679 -0.944 -5.930
50 H ARG 8 H ARG 8 6.520 -2.304 -3.415
51 HA ARG 8 HA ARG 8 4.120 -3.711 -2.293
52 1HB ARG 8 HB2 ARG 8 6.492 -4.780 -3.618
53 2HB ARG 8 HB1 ARG 8 5.982 -5.590 -2.294
54 1HG ARG 8 HG2 ARG 8 4.505 -5.187 -4.720
55 2HG ARG 8 HG1 ARG 8 5.044 -6.615 -4.140
56 1HD ARG 8 HD2 ARG 8 2.807 -5.094 -3.191
57 2HD ARG 8 HD1 ARG 8 2.791 -6.625 -3.759
58 HE ARG 8 HE ARG 8 4.287 -6.794 -1.450
59 1HH1 ARG 8 2HH2 ARG 8 0.939 -5.997 -2.266
60 2HH1 ARG 8 1HH2 ARG 8 0.409 -6.363 -0.659
61 1HH2 ARG 8 2HH1 ARG 8 3.477 -7.105 0.592
62 2HH2 ARG 8 1HH1 ARG 8 1.775 -6.959 0.877
63 H CYS 9 H CYS 9 4.554 -4.959 -0.404
64 HA CYS 9 HA CYS 9 7.045 -4.484 1.044
65 1HB CYS 9 HB2 CYS 9 4.333 -4.023 2.041
66 2HB CYS 9 HB1 CYS 9 5.352 -4.817 3.040
67 HA PRO 10 HA PRO 10 6.675 -9.033 1.609
68 1HB PRO 10 HB2 PRO 10 6.383 -8.483 4.489
69 2HB PRO 10 HB1 PRO 10 7.306 -9.610 3.750
70 1HG PRO 10 HG2 PRO 10 8.471 -7.462 4.571
71 2HG PRO 10 HG1 PRO 10 8.894 -8.038 3.102
72 1HD PRO 10 HD2 PRO 10 7.062 -5.881 3.677
73 2HD PRO 10 HD1 PRO 10 8.192 -5.930 2.498
74 H SER 11 H SER 11 5.169 -10.644 2.900
75 HA SER 11 HA SER 11 2.635 -10.221 1.726
76 1HB SER 11 HB2 SER 11 3.592 -12.407 2.263
77 2HB SER 11 HB1 SER 11 3.189 -12.206 3.833
78 HG SER 11 HG SER 11 1.610 -13.353 2.612
79 H GLY 12 H GLY 12 0.607 -10.837 3.057
80 1HA GLY 12 HA3 GLY 12 -1.150 -10.011 4.334
81 2HA GLY 12 HA2 GLY 12 0.065 -9.690 5.567
82 H MET 13 H MET 13 1.330 -7.579 3.601
83 HA MET 13 HA MET 13 -0.618 -5.391 4.182
84 1HB MET 13 HB2 MET 13 2.176 -5.232 3.231
85 2HB MET 13 HB1 MET 13 1.271 -4.004 3.814
86 1HG MET 13 HG2 MET 13 1.288 -5.021 5.960
87 2HG MET 13 HG1 MET 13 2.213 -6.232 5.373
88 1HE MET 13 HE1 MET 13 4.746 -4.470 7.718
89 2HE MET 13 HE2 MET 13 3.010 -4.738 7.994
90 3HE MET 13 HE3 MET 13 4.008 -6.026 7.274
91 H CYS 14 H CYS 14 -0.882 -3.647 2.600
92 HA CYS 14 HA CYS 14 -0.299 -4.367 -0.249
93 1HB CYS 14 HB2 CYS 14 -2.763 -3.008 0.594
94 2HB CYS 14 HB1 CYS 14 -2.412 -3.641 -0.871
95 H CYS 15 H CYS 15 -0.114 -2.432 -1.668
96 HA CYS 15 HA CYS 15 1.093 -0.204 -0.137
97 1HB CYS 15 HB2 CYS 15 2.351 -1.362 -1.878
98 2HB CYS 15 HB1 CYS 15 1.304 -0.818 -3.007
99 H SER 16 H SER 16 0.308 1.892 -0.231
100 HA SER 16 HA SER 16 -2.452 2.160 -1.143
101 1HB SER 16 HB2 SER 16 -2.406 4.088 0.206
102 2HB SER 16 HB1 SER 16 -1.529 2.987 1.034
103 HG SER 16 HG SER 16 -0.525 4.959 1.110
104 H GLN 17 H GLN 17 -3.234 4.161 -2.168
105 HA GLN 17 HA GLN 17 -1.698 5.057 -4.394
106 1HB GLN 17 HB2 GLN 17 -3.468 6.380 -4.870
107 2HB GLN 17 HB1 GLN 17 -4.135 5.054 -4.189
108 1HG GLN 17 HG2 GLN 17 -3.744 7.525 -2.778
109 2HG GLN 17 HG1 GLN 17 -5.159 7.106 -3.476
110 1HE2 GLN 17 1HE2 GLN 17 -5.651 4.561 -2.769
111 2HE2 GLN 17 2HE2 GLN 17 -5.569 4.373 -0.997
112 1HN PFF 18 H PFF 18 -1.038 5.717 -1.195
113 HA PFF 18 HA PFF 18 0.318 8.251 -2.000
114 1HBC PFF 18 HB2 PFF 18 -0.802 7.287 0.641
115 2HBC PFF 18 HB3 PFF 18 0.541 8.451 0.590
116 HD1 PFF 18 HD1 PFF 18 0.333 10.588 -0.773
117 HD2 PFF 18 HD2 PFF 18 -2.998 8.070 0.198
118 HE1 PFF 18 HE1 PFF 18 -1.220 12.302 -1.689
119 HE2 PFF 18 HE2 PFF 18 -4.563 9.742 -0.828
120 H GLY 19 H GLY 19 0.901 5.018 -2.013
121 1HA GLY 19 HA3 GLY 19 2.967 4.081 -2.464
122 2HA GLY 19 HA2 GLY 19 3.768 5.572 -1.962
123 1HN PFF 20 H PFF 20 1.506 4.170 0.358
124 HA PFF 20 HA PFF 20 3.856 3.195 1.929
125 1HBC PFF 20 HB2 PFF 20 1.204 4.364 2.859
126 2HBC PFF 20 HB3 PFF 20 2.505 3.772 3.864
127 HD1 PFF 20 HD1 PFF 20 1.450 6.566 1.729
128 HD2 PFF 20 HD2 PFF 20 4.722 4.889 3.952
129 HE1 PFF 20 HE1 PFF 20 2.551 8.798 1.804
130 HE2 PFF 20 HE2 PFF 20 5.905 7.065 3.842
131 H CYS 21 H CYS 21 3.534 1.432 3.374
132 HA CYS 21 HA CYS 21 1.786 -0.637 2.188
133 1HB CYS 21 HB2 CYS 21 3.916 -0.777 4.220
134 2HB CYS 21 HB1 CYS 21 3.137 -2.067 3.589
135 H GLY 22 H GLY 22 -0.192 -1.218 3.110
136 1HA GLY 22 HA3 GLY 22 -0.435 -1.426 5.998
137 2HA GLY 22 HA2 GLY 22 -1.295 -0.034 5.342
138 H LYS 23 H LYS 23 -3.292 -0.773 5.818
139 HA LYS 23 HA LYS 23 -4.238 -3.404 4.748
140 1HB LYS 23 HB2 LYS 23 -4.818 -2.071 7.345
141 2HB LYS 23 HB1 LYS 23 -5.517 -3.458 6.843
142 1HG LYS 23 HG2 LYS 23 -2.686 -3.251 7.307
143 2HG LYS 23 HG1 LYS 23 -3.725 -3.762 8.458
144 1HD LYS 23 HD2 LYS 23 -4.383 -5.554 6.923
145 2HD LYS 23 HD1 LYS 23 -3.123 -5.112 5.982
146 1HE LYS 23 HE2 LYS 23 -1.598 -5.607 7.697
147 2HE LYS 23 HE1 LYS 23 -2.816 -5.879 8.751
148 1HZ LYS 23 HZ1 LYS 23 -1.884 -7.918 7.959
149 2HZ LYS 23 HZ2 LYS 23 -3.468 -7.781 7.525
150 3HZ LYS 23 HZ3 LYS 23 -2.287 -7.473 6.428
151 H GLY 24 H GLY 24 -6.666 -3.529 4.964
152 1HA GLY 24 HA3 GLY 24 -8.802 -2.870 4.507
153 2HA GLY 24 HA2 GLY 24 -8.347 -1.277 5.132
154 HA PRO 25 HA PRO 25 -9.651 -1.113 0.599
155 1HB PRO 25 HB2 PRO 25 -11.105 1.157 1.791
156 2HB PRO 25 HB1 PRO 25 -11.575 0.161 0.585
157 1HG PRO 25 HG2 PRO 25 -12.527 -0.261 2.952
158 2HG PRO 25 HG1 PRO 25 -12.093 -1.556 2.057
159 1HD PRO 25 HD2 PRO 25 -10.594 -0.314 4.186
160 2HD PRO 25 HD1 PRO 25 -10.737 -1.912 3.876
161 H LYS 26 H LYS 26 -8.851 1.551 2.865
162 HA LYS 26 HA LYS 26 -8.065 3.386 0.909
163 1HB LYS 26 HB2 LYS 26 -8.349 3.458 3.573
164 2HB LYS 26 HB1 LYS 26 -6.732 3.657 3.456
165 1HG LYS 26 HG2 LYS 26 -8.564 5.324 1.995
166 2HG LYS 26 HG1 LYS 26 -8.049 5.727 3.492
167 1HD LYS 26 HD2 LYS 26 -5.801 5.796 2.667
168 2HD LYS 26 HD1 LYS 26 -6.364 5.478 1.167
169 1HE LYS 26 HE2 LYS 26 -7.500 7.524 1.095
170 2HE LYS 26 HE1 LYS 26 -7.154 7.817 2.665
171 1HZ LYS 26 HZ1 LYS 26 -5.153 7.629 0.601
172 2HZ LYS 26 HZ2 LYS 26 -5.704 9.077 1.240
173 3HZ LYS 26 HZ3 LYS 26 -4.910 8.050 2.193
174 H TYR 27 H TYR 27 -5.945 0.953 2.489
175 HA TYR 27 HA TYR 27 -3.743 1.894 0.692
176 1HB TYR 27 HB2 TYR 27 -3.757 -0.222 2.734
177 2HB TYR 27 HB1 TYR 27 -2.500 0.084 1.738
178 HD1 TYR 27 HD1 TYR 27 -4.602 2.191 3.995
179 HD2 TYR 27 HD2 TYR 27 -0.682 1.199 2.594
180 HE1 TYR 27 HE1 TYR 27 -3.595 3.334 5.968
181 HE2 TYR 27 HE2 TYR 27 0.310 2.541 4.458
182 HH TYR 27 HH TYR 27 -0.168 3.924 6.240
183 H CYS 28 H CYS 28 -5.721 -1.054 1.343
184 HA CYS 28 HA CYS 28 -4.316 -2.391 -0.823
185 1HB CYS 28 HB2 CYS 28 -5.054 -3.304 1.411
186 2HB CYS 28 HB1 CYS 28 -6.548 -3.460 0.770
187 H GLY 29 H GLY 29 -7.605 -1.103 -0.425
188 1HA GLY 29 HA3 GLY 29 -8.560 -2.226 -2.993
189 2HA GLY 29 HA2 GLY 29 -9.382 -1.036 -1.970
190 H ARG 30 H ARG 30 -7.258 0.715 -1.661
191 HA ARG 30 HA ARG 30 -5.956 2.337 -2.370
192 1HB ARG 30 HB2 ARG 30 -4.306 1.762 -3.741
193 2HB ARG 30 HB1 ARG 30 -4.881 0.287 -3.342
194 1HG ARG 30 HG2 ARG 30 -6.119 0.701 -5.611
195 2HG ARG 30 HG1 ARG 30 -4.701 1.463 -5.884
196 1HD ARG 30 HD2 ARG 30 -4.356 -0.716 -6.578
197 2HD ARG 30 HD1 ARG 30 -3.590 -0.600 -5.140
198 HE ARG 30 HE ARG 30 -5.209 -1.941 -4.086
199 1HH1 ARG 30 2HH2 ARG 30 -6.077 -1.398 -7.459
200 2HH1 ARG 30 1HH2 ARG 30 -7.291 -2.632 -7.405
201 1HH2 ARG 30 2HH1 ARG 30 -6.685 -3.516 -4.121
202 2HH2 ARG 30 1HH1 ARG 30 -7.630 -3.813 -5.542
203 1HN NH2 31 1HN NH2 31 -8.478 3.230 -5.409
204 2HN NH2 31 2HN NH2 31 -8.395 1.566 -4.829
205 H1 NAG 32 H1 NAG 32 -7.018 14.217 3.126
206 H2 NAG 32 H2 NAG 32 -7.239 11.974 1.085
207 H3 NAG 32 H3 NAG 32 -5.366 12.201 3.434
208 H4 NAG 32 H4 NAG 32 -4.399 12.466 0.603
209 H5 NAG 32 H5 NAG 32 -4.874 14.909 2.313
210 1H6 NAG 32 1H6 NAG 32 -4.554 16.124 0.285
211 2H6 NAG 32 2H6 NAG 32 -4.741 14.677 -0.713
212 1H8 NAG 32 1H8 NAG 32 -9.240 11.222 5.372
213 2H8 NAG 32 2H8 NAG 32 -9.791 10.042 4.144
214 3H8 NAG 32 3H8 NAG 32 -8.696 9.532 5.453
215 HN2 NAG 32 HN2 NAG 32 -8.893 12.048 3.071
216 HO1 NAG 32 HO1 NAG 32 -8.456 14.782 1.144
217 HO3 NAG 32 HO3 NAG 32 -5.379 10.241 2.918
218 HO6 NAG 32 HO6 NAG 32 -2.574 14.976 1.099
219 H1 NAG 33 H1 NAG 33 -2.492 11.334 1.455
220 H2 NAG 33 H2 NAG 33 -1.114 12.796 3.749
221 H3 NAG 33 H3 NAG 33 -0.179 10.331 2.242
222 H4 NAG 33 H4 NAG 33 -1.156 10.422 5.127
223 H5 NAG 33 H5 NAG 33 -2.498 9.322 2.614
224 1H6 NAG 33 1H6 NAG 33 -3.684 9.591 5.403
225 2H6 NAG 33 2H6 NAG 33 -2.917 8.104 4.837
226 1H8 NAG 33 1H8 NAG 33 0.476 15.847 0.545
227 2H8 NAG 33 2H8 NAG 33 1.642 14.547 0.909
228 3H8 NAG 33 3H8 NAG 33 0.411 14.330 -0.382
229 HN2 NAG 33 HN2 NAG 33 0.444 12.441 1.303
230 HO3 NAG 33 HO3 NAG 33 1.206 10.291 4.158
231 HO6 NAG 33 HO6 NAG 33 -5.380 8.959 4.385
232 H1 NAG 34 H1 NAG 34 -0.453 8.461 6.144
233 H2 NAG 34 H2 NAG 34 0.913 6.584 4.198
234 H3 NAG 34 H3 NAG 34 0.515 6.440 7.196
235 H4 NAG 34 H4 NAG 34 2.997 6.734 5.417
236 H5 NAG 34 H5 NAG 34 1.750 8.711 7.327
237 1H6 NAG 34 1H6 NAG 34 3.512 10.157 6.792
238 2H6 NAG 34 2H6 NAG 34 3.897 9.324 5.288
239 1H8 NAG 34 1H8 NAG 34 -3.082 4.555 3.046
240 2H8 NAG 34 2H8 NAG 34 -3.424 5.434 4.573
241 3H8 NAG 34 3H8 NAG 34 -3.416 6.297 3.016
242 HN2 NAG 34 HN2 NAG 34 -1.591 5.850 5.669
243 HO4 NAG 34 HO4 NAG 34 3.868 5.856 7.153
244 HO3 NAG 34 HO3 NAG 34 2.018 4.713 6.856
245 HO6 NAG 34 HO6 NAG 34 4.234 7.836 7.577
Start of MODEL 17
1 1H VAL 1 H1 VAL 1 6.548 8.419 5.620
2 2H VAL 1 H2 VAL 1 7.093 9.094 7.006
3 3H VAL 1 H3 VAL 1 5.546 8.481 6.942
4 HA VAL 1 HA VAL 1 7.911 6.835 6.464
5 HB VAL 1 HB VAL 1 7.629 5.928 8.761
6 1HG1 VAL 1 1HG1 VAL 1 8.923 7.665 9.828
7 2HG1 VAL 1 2HG1 VAL 1 9.405 7.552 8.129
8 3HG1 VAL 1 3HG1 VAL 1 8.368 8.889 8.681
9 1HG2 VAL 1 1HG2 VAL 1 5.965 8.447 9.291
10 2HG2 VAL 1 2HG2 VAL 1 5.345 6.778 9.302
11 3HG2 VAL 1 3HG2 VAL 1 6.550 7.285 10.486
12 H GLY 2 H GLY 2 7.457 4.887 5.893
13 1HA GLY 2 HA3 GLY 2 6.086 2.764 6.313
14 2HA GLY 2 HA2 GLY 2 4.656 3.767 6.085
15 H GLU 3 H GLU 3 7.343 4.530 4.038
16 HA GLU 3 HA GLU 3 5.760 4.441 1.719
17 1HB GLU 3 HB2 GLU 3 8.654 4.847 2.137
18 2HB GLU 3 HB1 GLU 3 7.859 5.188 0.752
19 1HG GLU 3 HG2 GLU 3 8.096 7.200 1.771
20 2HG GLU 3 HG1 GLU 3 6.541 6.784 2.052
21 H CYS 4 H CYS 4 5.273 2.676 0.505
22 HA CYS 4 HA CYS 4 6.217 0.149 1.231
23 1HB CYS 4 HB2 CYS 4 4.885 -0.602 -0.564
24 2HB CYS 4 HB1 CYS 4 4.108 0.637 0.161
25 H VAL 5 H VAL 5 6.821 -1.540 -0.546
26 HA VAL 5 HA VAL 5 9.620 -0.853 -1.084
27 HB VAL 5 HB VAL 5 8.216 -3.516 -1.473
28 1HG1 VAL 5 1HG1 VAL 5 10.496 -4.427 -1.029
29 2HG1 VAL 5 2HG1 VAL 5 10.555 -3.365 -2.430
30 3HG1 VAL 5 3HG1 VAL 5 11.130 -2.781 -0.858
31 1HG2 VAL 5 1HG2 VAL 5 9.517 -2.382 1.033
32 2HG2 VAL 5 2HG2 VAL 5 7.815 -2.853 0.843
33 3HG2 VAL 5 3HG2 VAL 5 9.072 -4.085 0.804
34 H ARG 6 H ARG 6 8.126 0.624 -2.596
35 HA ARG 6 HA ARG 6 7.863 1.513 -4.660
36 1HB ARG 6 HB2 ARG 6 10.066 -0.341 -5.274
37 2HB ARG 6 HB1 ARG 6 9.542 0.817 -6.300
38 1HG ARG 6 HG2 ARG 6 11.264 1.853 -5.276
39 2HG ARG 6 HG1 ARG 6 9.982 2.393 -4.420
40 1HD ARG 6 HD2 ARG 6 11.205 0.138 -3.294
41 2HD ARG 6 HD1 ARG 6 12.173 1.453 -3.339
42 HE ARG 6 HE ARG 6 9.573 1.663 -2.018
43 1HH1 ARG 6 2HH2 ARG 6 13.051 1.946 -1.623
44 2HH1 ARG 6 1HH2 ARG 6 12.864 2.419 0.032
45 1HH2 ARG 6 2HH1 ARG 6 9.433 2.188 0.064
46 2HH2 ARG 6 1HH1 ARG 6 10.867 2.552 0.963
47 H GLY 7 H GLY 7 6.002 0.001 -3.902
48 1HA GLY 7 HA3 GLY 7 3.975 -0.334 -5.199
49 2HA GLY 7 HA2 GLY 7 4.900 -1.214 -6.410
50 H ARG 8 H ARG 8 6.006 -2.293 -3.374
51 HA ARG 8 HA ARG 8 4.024 -4.495 -3.179
52 1HB ARG 8 HB2 ARG 8 6.963 -4.592 -3.600
53 2HB ARG 8 HB1 ARG 8 6.151 -5.855 -2.955
54 1HG ARG 8 HG2 ARG 8 5.059 -6.300 -4.894
55 2HG ARG 8 HG1 ARG 8 5.291 -4.790 -5.472
56 1HD ARG 8 HD2 ARG 8 7.301 -6.852 -5.323
57 2HD ARG 8 HD1 ARG 8 6.628 -6.281 -6.697
58 HE ARG 8 HE ARG 8 8.877 -5.243 -5.446
59 1HH1 ARG 8 2HH2 ARG 8 6.108 -4.006 -7.270
60 2HH1 ARG 8 1HH2 ARG 8 6.890 -2.478 -7.505
61 1HH2 ARG 8 2HH1 ARG 8 9.661 -3.198 -5.661
62 2HH2 ARG 8 1HH1 ARG 8 8.811 -2.042 -6.632
63 H CYS 9 H CYS 9 4.434 -5.727 -1.036
64 HA CYS 9 HA CYS 9 5.664 -4.060 1.067
65 1HB CYS 9 HB2 CYS 9 2.863 -4.990 0.813
66 2HB CYS 9 HB1 CYS 9 3.502 -4.523 2.241
67 HA PRO 10 HA PRO 10 6.334 -8.236 2.698
68 1HB PRO 10 HB2 PRO 10 6.656 -7.699 5.283
69 2HB PRO 10 HB1 PRO 10 7.816 -7.281 4.212
70 1HG PRO 10 HG2 PRO 10 5.821 -5.552 5.394
71 2HG PRO 10 HG1 PRO 10 7.397 -5.209 5.138
72 1HD PRO 10 HD2 PRO 10 5.511 -4.400 3.466
73 2HD PRO 10 HD1 PRO 10 7.045 -4.660 2.969
74 H SER 11 H SER 11 5.290 -9.734 4.200
75 HA SER 11 HA SER 11 3.347 -10.897 4.688
76 1HB SER 11 HB2 SER 11 3.607 -9.406 6.613
77 2HB SER 11 HB1 SER 11 2.535 -8.367 5.950
78 HG SER 11 HG SER 11 1.643 -9.897 7.453
79 H GLY 12 H GLY 12 0.812 -10.364 4.928
80 1HA GLY 12 HA3 GLY 12 -0.169 -10.320 2.184
81 2HA GLY 12 HA2 GLY 12 -1.169 -10.399 3.634
82 H MET 13 H MET 13 1.072 -7.679 2.967
83 HA MET 13 HA MET 13 -1.281 -5.864 3.271
84 1HB MET 13 HB2 MET 13 1.625 -5.352 3.471
85 2HB MET 13 HB1 MET 13 0.477 -4.199 3.615
86 1HG MET 13 HG2 MET 13 -0.450 -5.538 5.446
87 2HG MET 13 HG1 MET 13 0.929 -6.411 5.391
88 1HE MET 13 HE1 MET 13 3.693 -4.008 6.573
89 2HE MET 13 HE2 MET 13 3.294 -5.687 6.142
90 3HE MET 13 HE3 MET 13 3.245 -4.415 4.901
91 H CYS 14 H CYS 14 -1.086 -3.757 2.015
92 HA CYS 14 HA CYS 14 -0.307 -4.284 -0.821
93 1HB CYS 14 HB2 CYS 14 -2.744 -2.844 -0.024
94 2HB CYS 14 HB1 CYS 14 -2.391 -3.525 -1.466
95 H CYS 15 H CYS 15 -0.047 -2.185 -2.050
96 HA CYS 15 HA CYS 15 0.970 -0.072 -0.226
97 1HB CYS 15 HB2 CYS 15 2.546 -0.912 -1.822
98 2HB CYS 15 HB1 CYS 15 1.596 -0.453 -3.069
99 H SER 16 H SER 16 -0.055 1.788 -0.020
100 HA SER 16 HA SER 16 -2.522 2.411 -1.398
101 1HB SER 16 HB2 SER 16 -2.479 4.334 -0.076
102 2HB SER 16 HB1 SER 16 -1.798 3.204 0.886
103 HG SER 16 HG SER 16 -0.716 5.109 1.017
104 H GLN 17 H GLN 17 -2.896 4.298 -2.712
105 HA GLN 17 HA GLN 17 -0.681 4.802 -4.570
106 1HB GLN 17 HB2 GLN 17 -3.557 5.360 -4.577
107 2HB GLN 17 HB1 GLN 17 -2.568 6.051 -5.678
108 1HG GLN 17 HG2 GLN 17 -3.536 3.986 -6.485
109 2HG GLN 17 HG1 GLN 17 -1.903 3.949 -6.485
110 1HE2 GLN 17 1HE2 GLN 17 -0.797 2.247 -5.417
111 2HE2 GLN 17 2HE2 GLN 17 -1.634 1.246 -4.242
112 1HN PFF 18 H PFF 18 -1.275 6.019 -1.607
113 HA PFF 18 HA PFF 18 0.046 8.598 -2.260
114 1HBC PFF 18 HB2 PFF 18 -0.644 7.385 0.437
115 2HBC PFF 18 HB3 PFF 18 -0.007 9.001 0.133
116 HD1 PFF 18 HD1 PFF 18 -2.971 7.044 0.575
117 HD2 PFF 18 HD2 PFF 18 -1.450 10.564 -1.390
118 HE1 PFF 18 HE1 PFF 18 -5.292 7.879 0.269
119 HE2 PFF 18 HE2 PFF 18 -3.774 11.387 -1.709
120 H GLY 19 H GLY 19 0.826 5.269 -1.922
121 1HA GLY 19 HA3 GLY 19 2.997 4.610 -2.512
122 2HA GLY 19 HA2 GLY 19 3.679 6.031 -1.729
123 1HN PFF 20 H PFF 20 1.347 4.330 0.297
124 HA PFF 20 HA PFF 20 3.712 3.457 1.917
125 1HBC PFF 20 HB2 PFF 20 0.941 4.400 2.699
126 2HBC PFF 20 HB3 PFF 20 2.203 3.896 3.806
127 HD1 PFF 20 HD1 PFF 20 1.191 6.502 1.391
128 HD2 PFF 20 HD2 PFF 20 4.133 5.345 4.284
129 HE1 PFF 20 HE1 PFF 20 1.844 8.894 1.677
130 HE2 PFF 20 HE2 PFF 20 4.879 7.697 4.463
131 H CYS 21 H CYS 21 3.478 1.558 3.310
132 HA CYS 21 HA CYS 21 1.757 -0.523 2.063
133 1HB CYS 21 HB2 CYS 21 3.888 -0.578 4.086
134 2HB CYS 21 HB1 CYS 21 2.923 -1.876 3.858
135 H GLY 22 H GLY 22 -0.144 -1.362 2.891
136 1HA GLY 22 HA3 GLY 22 -0.267 -1.808 5.726
137 2HA GLY 22 HA2 GLY 22 -1.401 -0.529 5.272
138 H LYS 23 H LYS 23 -2.473 -2.776 6.346
139 HA LYS 23 HA LYS 23 -3.366 -4.470 4.116
140 1HB LYS 23 HB2 LYS 23 -2.789 -5.440 6.267
141 2HB LYS 23 HB1 LYS 23 -3.995 -4.617 7.000
142 1HG LYS 23 HG2 LYS 23 -4.640 -6.843 6.742
143 2HG LYS 23 HG1 LYS 23 -5.589 -5.904 5.801
144 1HD LYS 23 HD2 LYS 23 -3.318 -7.146 4.610
145 2HD LYS 23 HD1 LYS 23 -4.649 -8.056 4.873
146 1HE LYS 23 HE2 LYS 23 -5.920 -6.572 3.502
147 2HE LYS 23 HE1 LYS 23 -4.574 -5.691 3.221
148 1HZ LYS 23 HZ1 LYS 23 -5.002 -8.403 2.379
149 2HZ LYS 23 HZ2 LYS 23 -4.898 -7.085 1.387
150 3HZ LYS 23 HZ3 LYS 23 -3.579 -7.621 2.216
151 H GLY 24 H GLY 24 -4.394 -1.695 5.456
152 1HA GLY 24 HA3 GLY 24 -7.261 -2.157 5.530
153 2HA GLY 24 HA2 GLY 24 -6.472 -0.583 5.698
154 HA PRO 25 HA PRO 25 -8.694 -1.450 1.530
155 1HB PRO 25 HB2 PRO 25 -10.739 0.297 1.864
156 2HB PRO 25 HB1 PRO 25 -10.848 -1.290 2.235
157 1HG PRO 25 HG2 PRO 25 -10.363 0.901 4.058
158 2HG PRO 25 HG1 PRO 25 -11.337 -0.387 4.299
159 1HD PRO 25 HD2 PRO 25 -8.958 -0.385 5.345
160 2HD PRO 25 HD1 PRO 25 -9.574 -1.783 4.766
161 H LYS 26 H LYS 26 -8.099 1.629 3.302
162 HA LYS 26 HA LYS 26 -7.790 3.361 1.088
163 1HB LYS 26 HB2 LYS 26 -6.358 3.388 3.663
164 2HB LYS 26 HB1 LYS 26 -6.491 4.646 2.630
165 1HG LYS 26 HG2 LYS 26 -8.991 4.234 2.977
166 2HG LYS 26 HG1 LYS 26 -8.472 3.588 4.384
167 1HD LYS 26 HD2 LYS 26 -8.886 5.749 4.970
168 2HD LYS 26 HD1 LYS 26 -7.276 5.771 4.695
169 1HE LYS 26 HE2 LYS 26 -7.663 6.609 2.495
170 2HE LYS 26 HE1 LYS 26 -9.273 6.585 2.769
171 1HZ LYS 26 HZ1 LYS 26 -8.550 8.781 3.041
172 2HZ LYS 26 HZ2 LYS 26 -8.919 8.203 4.533
173 3HZ LYS 26 HZ3 LYS 26 -7.348 8.305 4.032
174 H TYR 27 H TYR 27 -5.622 0.880 2.335
175 HA TYR 27 HA TYR 27 -3.374 1.784 0.648
176 1HB TYR 27 HB2 TYR 27 -3.674 -0.630 2.330
177 2HB TYR 27 HB1 TYR 27 -2.302 -0.152 1.584
178 HD1 TYR 27 HD1 TYR 27 -0.934 1.671 2.374
179 HD2 TYR 27 HD2 TYR 27 -4.512 0.447 4.392
180 HE1 TYR 27 HE1 TYR 27 -0.205 2.927 4.401
181 HE2 TYR 27 HE2 TYR 27 -3.838 1.820 6.388
182 HH TYR 27 HH TYR 27 -0.802 3.667 6.425
183 H CYS 28 H CYS 28 -5.642 -0.993 0.948
184 HA CYS 28 HA CYS 28 -4.358 -2.240 -1.322
185 1HB CYS 28 HB2 CYS 28 -5.303 -3.195 0.864
186 2HB CYS 28 HB1 CYS 28 -6.718 -3.278 0.051
187 H GLY 29 H GLY 29 -5.070 -0.202 -2.507
188 1HA GLY 29 HA3 GLY 29 -5.865 0.297 -4.645
189 2HA GLY 29 HA2 GLY 29 -6.743 -1.232 -4.648
190 H ARG 30 H ARG 30 -8.229 -0.581 -2.219
191 HA ARG 30 HA ARG 30 -9.962 0.488 -1.306
192 1HB ARG 30 HB2 ARG 30 -9.547 2.638 -3.303
193 2HB ARG 30 HB1 ARG 30 -10.658 2.707 -2.108
194 1HG ARG 30 HG2 ARG 30 -9.097 2.932 -0.497
195 2HG ARG 30 HG1 ARG 30 -7.931 2.236 -1.404
196 1HD ARG 30 HD2 ARG 30 -8.949 4.903 -1.836
197 2HD ARG 30 HD1 ARG 30 -7.511 4.566 -1.139
198 HE ARG 30 HE ARG 30 -8.110 4.489 -3.923
199 1HH1 ARG 30 2HH1 ARG 30 -5.614 3.462 -1.629
200 2HH1 ARG 30 1HH1 ARG 30 -4.710 2.708 -2.899
201 1HH2 ARG 30 2HH2 ARG 30 -7.021 3.304 -5.358
202 2HH2 ARG 30 1HH2 ARG 30 -5.486 2.618 -4.944
203 1HN NH2 31 1HN NH2 31 -11.712 -0.029 -5.004
204 2HN NH2 31 2HN NH2 31 -10.078 0.641 -4.891
205 H1 NAG 32 H1 NAG 32 -7.834 14.832 1.393
206 H2 NAG 32 H2 NAG 32 -7.468 12.116 0.101
207 H3 NAG 32 H3 NAG 32 -6.705 12.878 2.956
208 H4 NAG 32 H4 NAG 32 -4.918 12.414 0.531
209 H5 NAG 32 H5 NAG 32 -5.592 15.018 1.919
210 1H6 NAG 32 1H6 NAG 32 -3.323 15.233 1.444
211 2H6 NAG 32 2H6 NAG 32 -4.085 15.894 -0.001
212 1H8 NAG 32 1H8 NAG 32 -11.110 12.154 3.183
213 2H8 NAG 32 2H8 NAG 32 -11.554 11.698 1.511
214 3H8 NAG 32 3H8 NAG 32 -11.311 10.441 2.743
215 HN2 NAG 32 HN2 NAG 32 -9.668 13.187 1.438
216 HO1 NAG 32 HO1 NAG 32 -7.937 14.932 -1.086
217 HO3 NAG 32 HO3 NAG 32 -7.261 10.656 1.994
218 HO6 NAG 32 HO6 NAG 32 -3.538 14.047 -1.093
219 H1 NAG 33 H1 NAG 33 -3.480 11.126 1.513
220 H2 NAG 33 H2 NAG 33 -1.873 12.566 3.610
221 H3 NAG 33 H3 NAG 33 -1.028 10.035 2.176
222 H4 NAG 33 H4 NAG 33 -2.073 10.048 5.025
223 H5 NAG 33 H5 NAG 33 -3.581 9.179 2.535
224 1H6 NAG 33 1H6 NAG 33 -4.464 9.298 5.446
225 2H6 NAG 33 2H6 NAG 33 -4.269 7.823 4.465
226 1H8 NAG 33 1H8 NAG 33 -0.072 14.413 0.018
227 2H8 NAG 33 2H8 NAG 33 1.103 13.195 -0.547
228 3H8 NAG 33 3H8 NAG 33 -0.620 13.041 -0.987
229 HN2 NAG 33 HN2 NAG 33 -2.005 13.210 0.997
230 HO3 NAG 33 HO3 NAG 33 0.564 11.248 3.083
231 HO6 NAG 33 HO6 NAG 33 -5.757 9.961 3.451
232 H1 NAG 34 H1 NAG 34 -1.671 7.938 5.945
233 H2 NAG 34 H2 NAG 34 0.082 6.330 4.051
234 H3 NAG 34 H3 NAG 34 -0.492 6.115 7.041
235 H4 NAG 34 H4 NAG 34 2.001 6.830 5.419
236 H5 NAG 34 H5 NAG 34 0.247 8.463 7.309
237 1H6 NAG 34 1H6 NAG 34 2.760 9.140 5.708
238 2H6 NAG 34 2H6 NAG 34 2.468 9.422 7.432
239 1H8 NAG 34 1H8 NAG 34 -3.997 4.901 2.315
240 2H8 NAG 34 2H8 NAG 34 -3.568 3.649 3.501
241 3H8 NAG 34 3H8 NAG 34 -4.291 5.190 4.053
242 HN2 NAG 34 HN2 NAG 34 -2.278 5.080 5.413
243 HO4 NAG 34 HO4 NAG 34 3.100 6.427 7.230
244 HO3 NAG 34 HO3 NAG 34 1.392 4.754 6.766
245 HO6 NAG 34 HO6 NAG 34 0.874 10.524 5.332
Start of MODEL 18
1 1H VAL 1 H1 VAL 1 2.653 2.198 6.335
2 2H VAL 1 H2 VAL 1 1.686 2.763 7.535
3 3H VAL 1 H3 VAL 1 1.461 1.242 6.940
4 HA VAL 1 HA VAL 1 3.911 2.131 8.291
5 HB VAL 1 HB VAL 1 3.111 0.581 10.155
6 1HG1 VAL 1 1HG1 VAL 1 1.629 3.212 9.704
7 2HG1 VAL 1 2HG1 VAL 1 1.948 2.415 11.253
8 3HG1 VAL 1 3HG1 VAL 1 3.297 3.044 10.296
9 1HG2 VAL 1 1HG2 VAL 1 0.709 0.396 10.513
10 2HG2 VAL 1 2HG2 VAL 1 0.340 1.200 8.985
11 3HG2 VAL 1 3HG2 VAL 1 1.097 -0.408 8.993
12 H GLY 2 H GLY 2 5.373 1.153 7.247
13 1HA GLY 2 HA3 GLY 2 6.653 -1.017 6.987
14 2HA GLY 2 HA2 GLY 2 5.104 -1.766 6.529
15 H GLU 3 H GLU 3 6.547 1.355 5.688
16 HA GLU 3 HA GLU 3 5.198 1.552 3.348
17 1HB GLU 3 HB2 GLU 3 7.563 2.912 4.422
18 2HB GLU 3 HB1 GLU 3 7.013 3.333 2.943
19 1HG GLU 3 HG2 GLU 3 6.117 4.560 4.953
20 2HG GLU 3 HG1 GLU 3 5.082 4.161 3.754
21 H CYS 4 H CYS 4 5.624 1.751 1.183
22 HA CYS 4 HA CYS 4 6.607 -0.879 0.538
23 1HB CYS 4 HB2 CYS 4 5.334 1.123 -1.218
24 2HB CYS 4 HB1 CYS 4 5.358 -0.495 -1.435
25 H VAL 5 H VAL 5 7.700 -1.463 -1.400
26 HA VAL 5 HA VAL 5 9.928 0.239 -2.293
27 HB VAL 5 HB VAL 5 9.001 -2.455 -3.361
28 1HG1 VAL 5 1HG1 VAL 5 11.389 -2.649 -4.065
29 2HG1 VAL 5 2HG1 VAL 5 10.658 -1.239 -4.829
30 3HG1 VAL 5 3HG1 VAL 5 11.719 -1.029 -3.422
31 1HG2 VAL 5 1HG2 VAL 5 9.464 -2.741 -0.984
32 2HG2 VAL 5 2HG2 VAL 5 10.805 -3.404 -1.914
33 3HG2 VAL 5 3HG2 VAL 5 10.975 -1.818 -1.134
34 H ARG 6 H ARG 6 7.834 1.645 -2.597
35 HA ARG 6 HA ARG 6 6.499 2.917 -3.930
36 1HB ARG 6 HB2 ARG 6 8.522 2.301 -5.992
37 2HB ARG 6 HB1 ARG 6 7.561 3.621 -5.939
38 1HG ARG 6 HG2 ARG 6 9.674 3.040 -4.065
39 2HG ARG 6 HG1 ARG 6 9.747 4.180 -5.232
40 1HD ARG 6 HD2 ARG 6 9.285 5.451 -3.449
41 2HD ARG 6 HD1 ARG 6 7.778 5.173 -4.012
42 HE ARG 6 HE ARG 6 8.747 3.395 -1.941
43 1HH1 ARG 6 2HH2 ARG 6 6.673 6.145 -2.638
44 2HH1 ARG 6 1HH2 ARG 6 5.767 5.927 -1.178
45 1HH2 ARG 6 2HH1 ARG 6 7.497 3.080 -0.199
46 2HH2 ARG 6 1HH1 ARG 6 6.232 4.194 0.199
47 H GLY 7 H GLY 7 5.702 0.439 -3.630
48 1HA GLY 7 HA3 GLY 7 3.376 0.381 -5.128
49 2HA GLY 7 HA2 GLY 7 4.452 -0.619 -6.102
50 H ARG 8 H ARG 8 5.780 -1.868 -3.669
51 HA ARG 8 HA ARG 8 3.460 -3.246 -2.398
52 1HB ARG 8 HB2 ARG 8 5.608 -4.351 -4.022
53 2HB ARG 8 HB1 ARG 8 5.301 -5.172 -2.644
54 1HG ARG 8 HG2 ARG 8 3.411 -4.684 -4.755
55 2HG ARG 8 HG1 ARG 8 4.088 -6.128 -4.403
56 1HD ARG 8 HD2 ARG 8 2.073 -4.751 -2.892
57 2HD ARG 8 HD1 ARG 8 1.956 -6.234 -3.566
58 HE ARG 8 HE ARG 8 3.952 -6.225 -1.532
59 1HH1 ARG 8 2HH2 ARG 8 0.474 -6.509 -1.986
60 2HH1 ARG 8 1HH2 ARG 8 0.279 -7.268 -0.441
61 1HH2 ARG 8 2HH1 ARG 8 3.614 -7.120 0.402
62 2HH2 ARG 8 1HH1 ARG 8 2.024 -7.607 0.886
63 H CYS 9 H CYS 9 3.742 -4.036 -0.350
64 HA CYS 9 HA CYS 9 6.302 -3.538 1.058
65 1HB CYS 9 HB2 CYS 9 4.276 -4.678 2.601
66 2HB CYS 9 HB1 CYS 9 4.987 -3.219 2.785
67 HA PRO 10 HA PRO 10 6.643 -8.110 1.000
68 1HB PRO 10 HB2 PRO 10 7.503 -8.680 3.448
69 2HB PRO 10 HB1 PRO 10 8.496 -7.920 2.397
70 1HG PRO 10 HG2 PRO 10 6.959 -6.704 4.534
71 2HG PRO 10 HG1 PRO 10 8.522 -6.413 4.159
72 1HD PRO 10 HD2 PRO 10 6.613 -4.825 3.294
73 2HD PRO 10 HD1 PRO 10 7.975 -5.050 2.421
74 H SER 11 H SER 11 5.787 -10.032 2.293
75 HA SER 11 HA SER 11 4.091 -11.251 3.207
76 1HB SER 11 HB2 SER 11 5.144 -10.083 5.096
77 2HB SER 11 HB1 SER 11 3.915 -9.008 5.102
78 HG SER 11 HG SER 11 3.676 -10.827 6.540
79 H GLY 12 H GLY 12 1.916 -10.936 4.506
80 1HA GLY 12 HA3 GLY 12 -0.103 -10.619 2.473
81 2HA GLY 12 HA2 GLY 12 -0.396 -10.951 4.179
82 H MET 13 H MET 13 1.327 -7.999 3.387
83 HA MET 13 HA MET 13 -0.993 -6.365 4.294
84 1HB MET 13 HB2 MET 13 1.816 -5.601 3.817
85 2HB MET 13 HB1 MET 13 0.651 -4.644 4.447
86 1HG MET 13 HG2 MET 13 1.708 -7.003 5.710
87 2HG MET 13 HG1 MET 13 2.051 -5.470 6.159
88 1HE MET 13 HE1 MET 13 0.122 -6.692 9.269
89 2HE MET 13 HE2 MET 13 1.292 -7.593 8.277
90 3HE MET 13 HE3 MET 13 1.598 -5.888 8.687
91 H CYS 14 H CYS 14 -1.114 -4.167 3.022
92 HA CYS 14 HA CYS 14 -0.750 -4.612 0.100
93 1HB CYS 14 HB2 CYS 14 -3.153 -3.326 1.096
94 2HB CYS 14 HB1 CYS 14 -2.919 -4.170 -0.282
95 H CYS 15 H CYS 15 -1.204 -2.370 -1.049
96 HA CYS 15 HA CYS 15 0.383 -0.340 0.469
97 1HB CYS 15 HB2 CYS 15 1.753 -1.857 -0.885
98 2HB CYS 15 HB1 CYS 15 0.969 -1.376 -2.235
99 H SER 16 H SER 16 -0.150 1.810 0.053
100 HA SER 16 HA SER 16 -2.329 2.358 -1.866
101 1HB SER 16 HB2 SER 16 -2.225 4.526 -0.899
102 2HB SER 16 HB1 SER 16 -2.213 3.438 0.319
103 HG SER 16 HG SER 16 -0.780 4.940 0.824
104 H GLN 17 H GLN 17 -2.009 4.419 -3.379
105 HA GLN 17 HA GLN 17 0.256 3.765 -5.036
106 1HB GLN 17 HB2 GLN 17 -0.732 4.978 -6.581
107 2HB GLN 17 HB1 GLN 17 -2.021 4.472 -5.714
108 1HG GLN 17 HG2 GLN 17 -0.920 7.063 -5.259
109 2HG GLN 17 HG1 GLN 17 -1.985 6.827 -6.475
110 1HE2 GLN 17 1HE2 GLN 17 -3.591 8.219 -5.709
111 2HE2 GLN 17 2HE2 GLN 17 -4.501 7.810 -4.267
112 1HN PFF 18 H PFF 18 -0.032 5.880 -2.385
113 HA PFF 18 HA PFF 18 2.369 7.446 -3.161
114 1HBC PFF 18 HB2 PFF 18 0.570 7.386 -0.720
115 2HBC PFF 18 HB3 PFF 18 2.125 8.214 -0.713
116 HD1 PFF 18 HD1 PFF 18 -1.095 8.065 -2.671
117 HD2 PFF 18 HD2 PFF 18 2.351 10.399 -1.542
118 HE1 PFF 18 HE1 PFF 18 -1.894 9.942 -4.081
119 HE2 PFF 18 HE2 PFF 18 1.486 12.307 -2.868
120 H GLY 19 H GLY 19 1.862 4.267 -2.305
121 1HA GLY 19 HA3 GLY 19 3.388 2.673 -1.786
122 2HA GLY 19 HA2 GLY 19 4.636 3.891 -1.669
123 1HN PFF 20 H PFF 20 1.625 3.949 0.228
124 HA PFF 20 HA PFF 20 3.239 3.468 2.705
125 1HBC PFF 20 HB2 PFF 20 1.500 5.517 2.178
126 2HBC PFF 20 HB3 PFF 20 0.416 4.365 2.917
127 HD1 PFF 20 HD1 PFF 20 3.751 5.994 3.401
128 HD2 PFF 20 HD2 PFF 20 0.505 4.003 5.370
129 HE1 PFF 20 HE1 PFF 20 4.581 6.827 5.586
130 HE2 PFF 20 HE2 PFF 20 1.340 4.814 7.558
131 H CYS 21 H CYS 21 2.564 1.856 4.143
132 HA CYS 21 HA CYS 21 1.038 -0.273 2.692
133 1HB CYS 21 HB2 CYS 21 3.388 -0.536 3.363
134 2HB CYS 21 HB1 CYS 21 2.917 -0.581 4.926
135 H GLY 22 H GLY 22 -0.607 -1.518 3.607
136 1HA GLY 22 HA3 GLY 22 -1.151 -1.792 6.359
137 2HA GLY 22 HA2 GLY 22 -2.199 -0.498 5.735
138 H LYS 23 H LYS 23 -3.770 -2.383 6.485
139 HA LYS 23 HA LYS 23 -4.475 -3.791 3.936
140 1HB LYS 23 HB2 LYS 23 -5.038 -4.722 6.682
141 2HB LYS 23 HB1 LYS 23 -5.624 -5.429 5.331
142 1HG LYS 23 HG2 LYS 23 -3.331 -5.777 4.608
143 2HG LYS 23 HG1 LYS 23 -2.841 -5.242 6.071
144 1HD LYS 23 HD2 LYS 23 -2.814 -7.581 6.098
145 2HD LYS 23 HD1 LYS 23 -4.000 -7.068 7.097
146 1HE LYS 23 HE2 LYS 23 -4.763 -8.904 5.818
147 2HE LYS 23 HE1 LYS 23 -5.621 -7.567 5.435
148 1HZ LYS 23 HZ1 LYS 23 -4.375 -7.289 3.474
149 2HZ LYS 23 HZ2 LYS 23 -3.400 -8.531 3.893
150 3HZ LYS 23 HZ3 LYS 23 -4.971 -8.823 3.498
151 H GLY 24 H GLY 24 -5.276 -1.199 5.529
152 1HA GLY 24 HA3 GLY 24 -8.200 -1.288 5.457
153 2HA GLY 24 HA2 GLY 24 -7.197 0.155 5.675
154 HA PRO 25 HA PRO 25 -9.611 -0.520 1.683
155 1HB PRO 25 HB2 PRO 25 -10.615 2.036 1.513
156 2HB PRO 25 HB1 PRO 25 -11.395 0.747 2.143
157 1HG PRO 25 HG2 PRO 25 -9.957 2.794 3.575
158 2HG PRO 25 HG1 PRO 25 -11.338 2.049 4.028
159 1HD PRO 25 HD2 PRO 25 -9.107 1.295 5.099
160 2HD PRO 25 HD1 PRO 25 -10.228 0.164 4.735
161 H LYS 26 H LYS 26 -7.935 2.641 2.144
162 HA LYS 26 HA LYS 26 -7.123 2.728 -0.648
163 1HB LYS 26 HB2 LYS 26 -6.680 4.378 1.718
164 2HB LYS 26 HB1 LYS 26 -5.593 4.528 0.509
165 1HG LYS 26 HG2 LYS 26 -8.413 5.043 0.283
166 2HG LYS 26 HG1 LYS 26 -7.242 6.182 0.296
167 1HD LYS 26 HD2 LYS 26 -7.929 4.395 -1.827
168 2HD LYS 26 HD1 LYS 26 -7.765 6.019 -1.898
169 1HE LYS 26 HE2 LYS 26 -5.535 4.219 -1.635
170 2HE LYS 26 HE1 LYS 26 -6.022 4.841 -3.064
171 1HZ LYS 26 HZ1 LYS 26 -4.222 6.084 -2.353
172 2HZ LYS 26 HZ2 LYS 26 -5.542 7.034 -2.216
173 3HZ LYS 26 HZ3 LYS 26 -4.857 6.337 -0.878
174 H TYR 27 H TYR 27 -5.851 0.798 1.817
175 HA TYR 27 HA TYR 27 -3.130 0.852 0.561
176 1HB TYR 27 HB2 TYR 27 -4.079 -0.758 2.840
177 2HB TYR 27 HB1 TYR 27 -2.534 -0.547 2.353
178 HD1 TYR 27 HD1 TYR 27 -1.527 1.859 2.480
179 HD2 TYR 27 HD2 TYR 27 -5.127 0.639 4.445
180 HE1 TYR 27 HE1 TYR 27 -1.227 3.658 4.180
181 HE2 TYR 27 HE2 TYR 27 -4.779 2.401 6.191
182 HH TYR 27 HH TYR 27 -2.069 4.688 6.126
183 H CYS 28 H CYS 28 -5.889 -1.310 1.321
184 HA CYS 28 HA CYS 28 -4.811 -3.273 -0.594
185 1HB CYS 28 HB2 CYS 28 -5.574 -3.499 1.889
186 2HB CYS 28 HB1 CYS 28 -7.028 -3.789 1.204
187 H GLY 29 H GLY 29 -6.839 -0.755 -1.127
188 1HA GLY 29 HA3 GLY 29 -8.348 -0.377 -2.842
189 2HA GLY 29 HA2 GLY 29 -7.927 -1.962 -3.525
190 H ARG 30 H ARG 30 -9.171 -1.168 -0.342
191 HA ARG 30 HA ARG 30 -10.836 -2.085 0.984
192 1HB ARG 30 HB2 ARG 30 -12.490 -1.121 -0.103
193 2HB ARG 30 HB1 ARG 30 -12.148 -1.783 -1.556
194 1HG ARG 30 HG2 ARG 30 -13.548 -3.175 0.517
195 2HG ARG 30 HG1 ARG 30 -14.297 -2.375 -0.694
196 1HD ARG 30 HD2 ARG 30 -13.307 -4.967 -0.691
197 2HD ARG 30 HD1 ARG 30 -14.387 -4.292 -1.713
198 HE ARG 30 HE ARG 30 -11.871 -3.370 -2.457
199 1HH1 ARG 30 2HH1 ARG 30 -13.571 -6.442 -2.552
200 2HH1 ARG 30 1HH1 ARG 30 -12.461 -7.080 -3.718
201 1HH2 ARG 30 2HH2 ARG 30 -10.523 -4.209 -3.866
202 2HH2 ARG 30 1HH2 ARG 30 -10.743 -5.821 -4.458
203 1HN NH2 31 1HN NH2 31 -9.661 -5.603 -0.284
204 2HN NH2 31 2HN NH2 31 -9.050 -4.143 -1.033
205 H1 NAG 32 H1 NAG 32 -7.258 12.772 -3.223
206 H2 NAG 32 H2 NAG 32 -5.034 11.339 -4.707
207 H3 NAG 32 H3 NAG 32 -5.645 11.074 -1.745
208 H4 NAG 32 H4 NAG 32 -3.288 12.547 -2.990
209 H5 NAG 32 H5 NAG 32 -5.806 13.762 -1.759
210 1H6 NAG 32 1H6 NAG 32 -4.737 15.889 -2.765
211 2H6 NAG 32 2H6 NAG 32 -3.204 15.009 -2.702
212 1H8 NAG 32 1H8 NAG 32 -7.875 7.208 -4.169
213 2H8 NAG 32 2H8 NAG 32 -8.873 8.592 -3.654
214 3H8 NAG 32 3H8 NAG 32 -8.239 8.505 -5.323
215 HN2 NAG 32 HN2 NAG 32 -7.622 10.617 -4.579
216 HO1 NAG 32 HO1 NAG 32 -6.719 13.789 -5.438
217 HO3 NAG 32 HO3 NAG 32 -4.623 9.391 -2.730
218 HO6 NAG 32 HO6 NAG 32 -3.314 15.038 -0.515
219 H1 NAG 33 H1 NAG 33 -2.234 11.082 -1.431
220 H2 NAG 33 H2 NAG 33 -2.250 12.522 1.213
221 H3 NAG 33 H3 NAG 33 -0.426 10.203 0.496
222 H4 NAG 33 H4 NAG 33 -2.828 10.253 2.385
223 H5 NAG 33 H5 NAG 33 -2.320 8.980 -0.337
224 1H6 NAG 33 1H6 NAG 33 -4.959 8.517 0.240
225 2H6 NAG 33 2H6 NAG 33 -4.231 8.205 1.817
226 1H8 NAG 33 1H8 NAG 33 0.337 15.794 -0.835
227 2H8 NAG 33 2H8 NAG 33 1.373 14.436 -0.331
228 3H8 NAG 33 3H8 NAG 33 0.587 14.426 -1.946
229 HN2 NAG 33 HN2 NAG 33 0.213 12.318 -0.442
230 HO3 NAG 33 HO3 NAG 33 -0.050 10.495 2.767
231 HO6 NAG 33 HO6 NAG 33 -2.861 6.678 0.738
232 H1 NAG 34 H1 NAG 34 -2.265 9.057 4.176
233 H2 NAG 34 H2 NAG 34 -0.440 6.638 3.815
234 H3 NAG 34 H3 NAG 34 -1.940 7.855 6.185
235 H4 NAG 34 H4 NAG 34 1.022 7.504 5.521
236 H5 NAG 34 H5 NAG 34 -0.734 9.966 5.856
237 1H6 NAG 34 1H6 NAG 34 1.270 11.207 5.226
238 2H6 NAG 34 2H6 NAG 34 2.187 9.706 5.005
239 1H8 NAG 34 1H8 NAG 34 -4.009 4.121 2.200
240 2H8 NAG 34 2H8 NAG 34 -4.451 4.693 3.826
241 3H8 NAG 34 3H8 NAG 34 -4.828 5.709 2.414
242 HN2 NAG 34 HN2 NAG 34 -3.234 6.264 4.735
243 HO4 NAG 34 HO4 NAG 34 1.028 8.753 7.611
244 HO3 NAG 34 HO3 NAG 34 -0.483 6.374 7.201
245 HO6 NAG 34 HO6 NAG 34 2.509 10.833 7.043