NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
616836 |
5x35   |
36051 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 THR 1 H1 THR 1 -9.708 6.001 -2.588
2 H2 THR 1 H2 THR 1 -8.840 7.434 -2.366
3 H3 THR 1 H3 THR 1 -8.935 6.311 -1.109
4 HA THR 1 HA THR 1 -7.682 4.748 -2.398
5 HB THR 1 HB THR 1 -6.532 5.717 -4.446
6 HG21 THR 1 HG21 THR 1 -8.295 3.980 -4.569
7 HG22 THR 1 HG22 THR 1 -8.431 5.081 -5.933
8 HG23 THR 1 HG23 THR 1 -9.534 5.233 -4.576
9 H GLN 2 H GLN 2 -5.330 4.805 -2.373
10 HA GLN 2 HA GLN 2 -4.426 6.879 -0.546
11 HB2 GLN 2 HB2 GLN 2 -4.102 4.477 0.023
12 HB3 GLN 2 HB3 GLN 2 -3.062 4.316 -1.385
13 HG2 GLN 2 HG2 GLN 2 -1.773 4.539 0.670
14 HG3 GLN 2 HG3 GLN 2 -1.490 5.894 -0.426
15 HE21 GLN 2 HE21 GLN 2 -2.891 4.894 2.548
16 HE22 GLN 2 HE22 GLN 2 -3.193 6.469 3.192
17 H SER 3 H SER 3 -2.580 8.076 -0.910
18 HA SER 3 HA SER 3 -2.130 8.726 -3.682
19 HB2 SER 3 HB2 SER 3 -1.070 10.012 -1.171
20 HB3 SER 3 HB3 SER 3 -1.137 10.719 -2.791
21 HG SER 3 HG SER 3 -2.911 10.957 -0.981
22 H HIS 4 H HIS 4 0.219 9.404 -4.155
23 HA HIS 4 HA HIS 4 1.841 7.076 -4.142
24 HB2 HIS 4 HB2 HIS 4 1.745 9.010 -5.883
25 HB3 HIS 4 HB3 HIS 4 2.815 9.866 -4.785
26 HD1 HIS 4 HD1 HIS 4 4.737 9.859 -6.541
27 HD2 HIS 4 HD2 HIS 4 3.421 6.101 -5.446
28 HE1 HIS 4 HE1 HIS 4 6.354 8.259 -7.573
29 HE2 HIS 4 HE2 HIS 4 5.215 6.030 -7.235
30 H TYR 5 H TYR 5 3.372 6.447 -2.725
31 HA TYR 5 HA TYR 5 4.769 6.340 -1.023
32 HB2 TYR 5 HB2 TYR 5 4.783 9.352 -1.182
33 HB3 TYR 5 HB3 TYR 5 5.638 8.506 0.101
34 HD1 TYR 5 HD1 TYR 5 5.464 8.997 -3.562
35 HD2 TYR 5 HD2 TYR 5 7.704 7.416 -0.316
36 HE1 TYR 5 HE1 TYR 5 7.378 8.645 -5.058
37 HE2 TYR 5 HE2 TYR 5 9.626 7.064 -1.801
38 HH TYR 5 HH TYR 5 10.133 6.819 -4.084
39 H GLY 6 H GLY 6 1.773 6.707 -0.782
40 HA2 GLY 6 HA2 GLY 6 1.721 7.030 2.128
41 HA3 GLY 6 HA3 GLY 6 0.315 6.984 1.062
42 H GLN 7 H GLN 7 0.605 5.364 3.370
43 HA GLN 7 HA GLN 7 1.406 2.724 2.572
44 HB2 GLN 7 HB2 GLN 7 1.404 3.697 4.978
45 HB3 GLN 7 HB3 GLN 7 -0.337 3.466 4.905
46 HG2 GLN 7 HG2 GLN 7 -0.078 1.083 4.683
47 HG3 GLN 7 HG3 GLN 7 1.678 1.249 4.622
48 HE21 GLN 7 HE21 GLN 7 0.182 -0.315 6.555
49 HE22 GLN 7 HE22 GLN 7 0.514 0.393 8.087
50 H CYS 8 H CYS 8 0.204 1.580 1.221
51 HA CYS 8 HA CYS 8 -2.514 2.293 0.687
52 HB2 CYS 8 HB2 CYS 8 -2.352 0.257 -0.884
53 HB3 CYS 8 HB3 CYS 8 -1.373 1.675 -1.241
54 H GLY 9 H GLY 9 -1.141 -0.867 1.575
55 HA2 GLY 9 HA2 GLY 9 -3.149 -1.255 3.541
56 HA3 GLY 9 HA3 GLY 9 -3.597 -2.044 2.039
57 H GLY 10 H GLY 10 -1.266 -1.864 4.569
58 HA2 GLY 10 HA2 GLY 10 -0.316 -4.545 3.881
59 HA3 GLY 10 HA3 GLY 10 0.466 -3.442 5.016
60 H ILE 11 H ILE 11 0.119 -5.808 6.098
61 HA ILE 11 HA ILE 11 -2.433 -6.341 7.156
62 HB ILE 11 HB ILE 11 0.299 -7.183 8.188
63 HG12 ILE 11 HG12 ILE 11 -1.699 -8.664 6.455
64 HG13 ILE 11 HG13 ILE 11 -0.216 -7.918 5.881
65 HG21 ILE 11 HG21 ILE 11 -1.393 -7.375 9.949
66 HG22 ILE 11 HG22 ILE 11 -0.888 -8.969 9.391
67 HG23 ILE 11 HG23 ILE 11 -2.430 -8.301 8.860
68 HD11 ILE 11 HD11 ILE 11 1.089 -9.474 7.232
69 HD12 ILE 11 HD12 ILE 11 0.016 -10.327 6.119
70 HD13 ILE 11 HD13 ILE 11 -0.402 -10.205 7.829
71 H GLY 12 H GLY 12 -3.514 -5.326 8.679
72 HA2 GLY 12 HA2 GLY 12 -3.678 -4.438 10.912
73 HA3 GLY 12 HA3 GLY 12 -2.039 -3.829 10.732
74 H TYR 13 H TYR 13 -3.176 -3.127 7.861
75 HA TYR 13 HA TYR 13 -4.019 -0.452 8.714
76 HB2 TYR 13 HB2 TYR 13 -1.999 -0.740 7.209
77 HB3 TYR 13 HB3 TYR 13 -3.089 -1.353 5.975
78 HD1 TYR 13 HD1 TYR 13 -2.140 1.608 7.930
79 HD2 TYR 13 HD2 TYR 13 -4.419 0.150 4.663
80 HE1 TYR 13 HE1 TYR 13 -2.505 3.917 7.167
81 HE2 TYR 13 HE2 TYR 13 -4.795 2.454 3.897
82 HH TYR 13 HH TYR 13 -3.025 5.054 5.055
83 H SER 14 H SER 14 -6.065 0.255 8.232
84 HA SER 14 HA SER 14 -7.729 -1.494 6.569
85 HB2 SER 14 HB2 SER 14 -9.564 -0.832 8.224
86 HB3 SER 14 HB3 SER 14 -8.342 -1.971 8.788
87 HG SER 14 HG SER 14 -8.317 -0.580 10.363
88 H GLY 15 H GLY 15 -6.329 1.173 6.102
89 HA2 GLY 15 HA2 GLY 15 -8.614 2.959 5.730
90 HA3 GLY 15 HA3 GLY 15 -6.920 3.409 5.591
91 HA PRO 16 HA PRO 16 -8.370 3.191 1.256
92 HB2 PRO 16 HB2 PRO 16 -6.539 4.963 0.282
93 HB3 PRO 16 HB3 PRO 16 -8.058 5.461 1.029
94 HG2 PRO 16 HG2 PRO 16 -5.318 5.382 2.197
95 HG3 PRO 16 HG3 PRO 16 -6.593 6.597 2.398
96 HD2 PRO 16 HD2 PRO 16 -6.024 4.692 4.247
97 HD3 PRO 16 HD3 PRO 16 -7.642 5.392 4.046
98 H THR 17 H THR 17 -7.727 1.146 0.781
99 HA THR 17 HA THR 17 -4.956 0.387 0.697
100 HB THR 17 HB THR 17 -5.971 -1.834 0.034
101 HG1 THR 17 HG1 THR 17 -8.086 -2.009 -0.070
102 HG21 THR 17 HG21 THR 17 -6.993 -0.550 2.571
103 HG22 THR 17 HG22 THR 17 -5.389 -1.235 2.371
104 HG23 THR 17 HG23 THR 17 -6.815 -2.279 2.279
105 H VAL 18 H VAL 18 -7.336 1.366 -1.600
106 HA VAL 18 HA VAL 18 -5.871 0.212 -3.809
107 HB VAL 18 HB VAL 18 -8.305 2.037 -3.850
108 HG11 VAL 18 HG11 VAL 18 -7.078 0.401 -6.076
109 HG12 VAL 18 HG12 VAL 18 -7.044 2.157 -5.943
110 HG13 VAL 18 HG13 VAL 18 -8.580 1.320 -6.179
111 HG21 VAL 18 HG21 VAL 18 -8.794 -0.102 -2.788
112 HG22 VAL 18 HG22 VAL 18 -8.117 -0.958 -4.175
113 HG23 VAL 18 HG23 VAL 18 -9.580 0.003 -4.364
114 H CYS 19 H CYS 19 -4.283 1.199 -4.784
115 HA CYS 19 HA CYS 19 -3.494 3.817 -3.978
116 HB2 CYS 19 HB2 CYS 19 -2.345 1.921 -6.011
117 HB3 CYS 19 HB3 CYS 19 -1.607 3.454 -5.555
118 H ALA 20 H ALA 20 -3.078 5.571 -5.355
119 HA ALA 20 HA ALA 20 -5.189 6.204 -7.092
120 HB1 ALA 20 HB1 ALA 20 -4.005 7.838 -5.705
121 HB2 ALA 20 HB2 ALA 20 -4.027 8.295 -7.405
122 HB3 ALA 20 HB3 ALA 20 -2.560 7.616 -6.692
123 H SER 21 H SER 21 -4.699 7.189 -9.325
124 HA SER 21 HA SER 21 -3.936 5.107 -10.986
125 HB2 SER 21 HB2 SER 21 -4.278 6.959 -12.713
126 HB3 SER 21 HB3 SER 21 -5.643 6.532 -11.676
127 HG SER 21 HG SER 21 -5.472 8.731 -11.706
128 H GLY 22 H GLY 22 -1.985 4.505 -11.522
129 HA2 GLY 22 HA2 GLY 22 0.069 4.881 -12.636
130 HA3 GLY 22 HA3 GLY 22 0.059 6.533 -12.034
131 H THR 23 H THR 23 -0.832 4.282 -9.658
132 HA THR 23 HA THR 23 1.924 4.016 -8.740
133 HB THR 23 HB THR 23 1.271 4.565 -6.421
134 HG1 THR 23 HG1 THR 23 -1.279 4.824 -7.599
135 HG21 THR 23 HG21 THR 23 2.085 6.415 -7.789
136 HG22 THR 23 HG22 THR 23 0.856 6.975 -6.653
137 HG23 THR 23 HG23 THR 23 0.443 6.732 -8.349
138 H THR 24 H THR 24 2.322 2.069 -7.675
139 HA THR 24 HA THR 24 0.037 0.258 -7.617
140 HB THR 24 HB THR 24 1.784 -1.575 -7.884
141 HG1 THR 24 HG1 THR 24 3.419 0.668 -7.928
142 HG21 THR 24 HG21 THR 24 1.975 -1.250 -10.327
143 HG22 THR 24 HG22 THR 24 1.473 0.429 -10.129
144 HG23 THR 24 HG23 THR 24 0.354 -0.877 -9.741
145 H CYS 25 H CYS 25 -0.202 -1.102 -5.796
146 HA CYS 25 HA CYS 25 0.978 -0.061 -3.396
147 HB2 CYS 25 HB2 CYS 25 -1.403 -0.754 -3.369
148 HB3 CYS 25 HB3 CYS 25 -0.940 -2.399 -3.789
149 H GLN 26 H GLN 26 3.081 -0.498 -3.297
150 HA GLN 26 HA GLN 26 4.029 -3.177 -3.871
151 HB2 GLN 26 HB2 GLN 26 5.549 -0.634 -3.257
152 HB3 GLN 26 HB3 GLN 26 6.297 -2.172 -3.662
153 HG2 GLN 26 HG2 GLN 26 5.047 -2.077 -5.851
154 HG3 GLN 26 HG3 GLN 26 4.579 -0.443 -5.423
155 HE21 GLN 26 HE21 GLN 26 5.643 0.393 -7.217
156 HE22 GLN 26 HE22 GLN 26 7.352 0.539 -7.314
157 H VAL 27 H VAL 27 4.443 -4.591 -2.354
158 HA VAL 27 HA VAL 27 3.968 -3.847 0.390
159 HB VAL 27 HB VAL 27 4.720 -6.574 -0.707
160 HG11 VAL 27 HG11 VAL 27 3.350 -5.794 1.852
161 HG12 VAL 27 HG12 VAL 27 4.996 -6.400 1.686
162 HG13 VAL 27 HG13 VAL 27 3.629 -7.444 1.299
163 HG21 VAL 27 HG21 VAL 27 1.967 -5.405 -0.320
164 HG22 VAL 27 HG22 VAL 27 2.308 -7.090 -0.714
165 HG23 VAL 27 HG23 VAL 27 2.726 -5.814 -1.859
166 H LEU 28 H LEU 28 5.675 -2.697 1.121
167 HA LEU 28 HA LEU 28 8.394 -3.418 0.534
168 HB2 LEU 28 HB2 LEU 28 7.419 -1.513 2.664
169 HB3 LEU 28 HB3 LEU 28 9.023 -1.584 1.972
170 HG LEU 28 HG LEU 28 6.504 -0.594 0.639
171 HD11 LEU 28 HD11 LEU 28 7.519 0.970 2.170
172 HD12 LEU 28 HD12 LEU 28 7.723 1.510 0.505
173 HD13 LEU 28 HD13 LEU 28 9.073 0.776 1.370
174 HD21 LEU 28 HD21 LEU 28 9.254 -0.910 -0.557
175 HD22 LEU 28 HD22 LEU 28 7.897 -0.060 -1.291
176 HD23 LEU 28 HD23 LEU 28 7.801 -1.805 -1.028
177 H ASN 29 H ASN 29 6.159 -3.770 3.173
178 HA ASN 29 HA ASN 29 7.774 -5.886 4.335
179 HB2 ASN 29 HB2 ASN 29 6.622 -3.576 5.965
180 HB3 ASN 29 HB3 ASN 29 7.371 -5.021 6.624
181 HD21 ASN 29 HD21 ASN 29 7.861 -1.928 5.248
182 HD22 ASN 29 HD22 ASN 29 9.545 -1.823 5.503
183 HA PRO 30 HA PRO 30 3.771 -7.788 4.648
184 HB2 PRO 30 HB2 PRO 30 4.107 -8.131 7.592
185 HB3 PRO 30 HB3 PRO 30 3.733 -9.338 6.358
186 HG2 PRO 30 HG2 PRO 30 6.161 -9.232 7.408
187 HG3 PRO 30 HG3 PRO 30 5.951 -9.518 5.671
188 HD2 PRO 30 HD2 PRO 30 6.734 -7.013 7.098
189 HD3 PRO 30 HD3 PRO 30 7.369 -7.673 5.580
190 H TYR 31 H TYR 31 4.474 -5.402 7.150
191 HA TYR 31 HA TYR 31 1.591 -4.878 7.404
192 HB2 TYR 31 HB2 TYR 31 3.836 -3.679 9.014
193 HB3 TYR 31 HB3 TYR 31 2.121 -3.679 9.400
194 HD1 TYR 31 HD1 TYR 31 5.232 -5.392 9.729
195 HD2 TYR 31 HD2 TYR 31 1.026 -5.925 9.938
196 HE1 TYR 31 HE1 TYR 31 5.568 -7.441 11.019
197 HE2 TYR 31 HE2 TYR 31 1.346 -7.982 11.237
198 HH TYR 31 HH TYR 31 4.342 -8.781 12.603
199 H TYR 32 H TYR 32 4.574 -3.491 6.205
200 HA TYR 32 HA TYR 32 3.104 -1.026 5.694
201 HB2 TYR 32 HB2 TYR 32 5.354 -0.821 6.916
202 HB3 TYR 32 HB3 TYR 32 6.088 -1.308 5.395
203 HD1 TYR 32 HD1 TYR 32 6.450 0.225 3.666
204 HD2 TYR 32 HD2 TYR 32 3.895 1.277 6.879
205 HE1 TYR 32 HE1 TYR 32 6.308 2.520 2.783
206 HE2 TYR 32 HE2 TYR 32 3.741 3.577 6.032
207 HH TYR 32 HH TYR 32 5.023 5.085 4.624
208 H SER 33 H SER 33 2.244 -0.884 3.810
209 HA SER 33 HA SER 33 3.736 -1.841 1.492
210 HB2 SER 33 HB2 SER 33 0.729 -1.848 1.929
211 HB3 SER 33 HB3 SER 33 1.553 -2.450 0.493
212 HG SER 33 HG SER 33 2.672 -3.662 2.535
213 H GLN 34 H GLN 34 3.785 -0.283 -0.204
214 HA GLN 34 HA GLN 34 2.584 2.294 0.519
215 HB2 GLN 34 HB2 GLN 34 4.906 2.258 1.254
216 HB3 GLN 34 HB3 GLN 34 5.432 1.791 -0.348
217 HG2 GLN 34 HG2 GLN 34 4.770 3.922 -1.241
218 HG3 GLN 34 HG3 GLN 34 4.070 4.390 0.310
219 HE21 GLN 34 HE21 GLN 34 5.445 4.929 2.020
220 HE22 GLN 34 HE22 GLN 34 7.095 5.309 1.761
221 H CYS 35 H CYS 35 1.786 3.464 -1.132
222 HA CYS 35 HA CYS 35 1.524 2.240 -3.708
223 HB2 CYS 35 HB2 CYS 35 0.735 4.997 -2.745
224 HB3 CYS 35 HB3 CYS 35 0.318 4.327 -4.318
225 H LEU 36 H LEU 36 3.145 2.183 -5.013
226 HA LEU 36 HA LEU 36 4.767 4.573 -5.419
227 HB2 LEU 36 HB2 LEU 36 5.658 1.707 -5.304
228 HB3 LEU 36 HB3 LEU 36 6.657 3.034 -5.864
229 HG LEU 36 HG LEU 36 5.508 2.849 -3.089
230 HD11 LEU 36 HD11 LEU 36 7.771 2.255 -2.401
231 HD12 LEU 36 HD12 LEU 36 8.272 2.220 -4.097
232 HD13 LEU 36 HD13 LEU 36 7.097 1.047 -3.495
233 HD21 LEU 36 HD21 LEU 36 7.123 4.630 -2.618
234 HD22 LEU 36 HD22 LEU 36 5.953 5.123 -3.836
235 HD23 LEU 36 HD23 LEU 36 7.586 4.657 -4.318
236 H1 MAN 101 H1 MAN 101 -6.654 7.200 -6.189
237 H2 MAN 101 H2 MAN 101 -8.138 9.732 -5.450
238 H3 MAN 101 H3 MAN 101 -8.774 9.810 -7.673
239 H4 MAN 101 H4 MAN 101 -6.345 8.066 -8.265
240 H5 MAN 101 H5 MAN 101 -9.259 7.380 -8.711
241 H61 MAN 101 H61 MAN 101 -8.556 5.129 -8.412
242 H62 MAN 101 H62 MAN 101 -6.951 5.566 -7.805
243 HO2 MAN 101 HO2 MAN 101 -6.060 10.428 -6.142
244 HO3 MAN 101 HO3 MAN 101 -6.995 10.752 -8.826
245 HO4 MAN 101 HO4 MAN 101 -7.391 8.036 -10.322
246 HO6 MAN 101 HO6 MAN 101 -7.303 4.937 -10.175
Start of MODEL 2
1 H1 THR 1 H1 THR 1 -8.538 8.220 -2.928
2 H2 THR 1 H2 THR 1 -8.957 6.987 -1.865
3 H3 THR 1 H3 THR 1 -9.494 6.965 -3.465
4 HA THR 1 HA THR 1 -7.597 5.466 -3.081
5 HB THR 1 HB THR 1 -6.184 6.538 -4.962
6 HG21 THR 1 HG21 THR 1 -7.956 4.789 -5.230
7 HG22 THR 1 HG22 THR 1 -7.909 5.881 -6.601
8 HG23 THR 1 HG23 THR 1 -9.171 6.058 -5.376
9 H GLN 2 H GLN 2 -5.406 5.210 -2.549
10 HA GLN 2 HA GLN 2 -4.405 7.181 -0.678
11 HB2 GLN 2 HB2 GLN 2 -4.361 4.747 -0.156
12 HB3 GLN 2 HB3 GLN 2 -3.284 4.488 -1.517
13 HG2 GLN 2 HG2 GLN 2 -2.057 4.502 0.583
14 HG3 GLN 2 HG3 GLN 2 -1.584 5.860 -0.436
15 HE21 GLN 2 HE21 GLN 2 -3.209 4.892 2.450
16 HE22 GLN 2 HE22 GLN 2 -3.352 6.465 3.140
17 H SER 3 H SER 3 -2.427 8.253 -0.912
18 HA SER 3 HA SER 3 -1.795 8.920 -3.659
19 HB2 SER 3 HB2 SER 3 -0.735 10.058 -1.071
20 HB3 SER 3 HB3 SER 3 -0.472 10.724 -2.684
21 HG SER 3 HG SER 3 -2.977 10.387 -1.388
22 H HIS 4 H HIS 4 0.461 9.241 -4.320
23 HA HIS 4 HA HIS 4 2.086 6.961 -4.177
24 HB2 HIS 4 HB2 HIS 4 2.068 8.779 -5.966
25 HB3 HIS 4 HB3 HIS 4 2.943 9.799 -4.838
26 HD1 HIS 4 HD1 HIS 4 5.288 9.937 -5.632
27 HD2 HIS 4 HD2 HIS 4 3.715 6.134 -6.142
28 HE1 HIS 4 HE1 HIS 4 7.124 8.589 -6.675
29 HE2 HIS 4 HE2 HIS 4 6.054 6.387 -7.217
30 H TYR 5 H TYR 5 3.555 6.341 -2.701
31 HA TYR 5 HA TYR 5 4.910 6.224 -0.934
32 HB2 TYR 5 HB2 TYR 5 4.886 9.227 -1.048
33 HB3 TYR 5 HB3 TYR 5 5.603 8.405 0.327
34 HD1 TYR 5 HD1 TYR 5 5.923 9.146 -3.235
35 HD2 TYR 5 HD2 TYR 5 7.663 7.151 0.081
36 HE1 TYR 5 HE1 TYR 5 8.036 8.938 -4.469
37 HE2 TYR 5 HE2 TYR 5 9.780 6.934 -1.140
38 HH TYR 5 HH TYR 5 10.428 8.700 -3.903
39 H GLY 6 H GLY 6 1.845 6.676 -0.806
40 HA2 GLY 6 HA2 GLY 6 1.671 7.040 2.079
41 HA3 GLY 6 HA3 GLY 6 0.319 6.928 0.951
42 H GLN 7 H GLN 7 0.488 5.440 3.324
43 HA GLN 7 HA GLN 7 1.321 2.770 2.569
44 HB2 GLN 7 HB2 GLN 7 1.593 3.535 4.948
45 HB3 GLN 7 HB3 GLN 7 -0.160 3.681 5.031
46 HG2 GLN 7 HG2 GLN 7 -0.440 1.303 4.773
47 HG3 GLN 7 HG3 GLN 7 1.296 1.089 4.553
48 HE21 GLN 7 HE21 GLN 7 1.389 -0.367 6.388
49 HE22 GLN 7 HE22 GLN 7 1.290 0.259 7.962
50 H CYS 8 H CYS 8 0.111 1.804 1.182
51 HA CYS 8 HA CYS 8 -2.649 2.376 0.828
52 HB2 CYS 8 HB2 CYS 8 -2.474 0.391 -0.773
53 HB3 CYS 8 HB3 CYS 8 -1.531 1.832 -1.129
54 H GLY 9 H GLY 9 -1.033 -0.656 1.724
55 HA2 GLY 9 HA2 GLY 9 -2.948 -1.188 3.714
56 HA3 GLY 9 HA3 GLY 9 -3.391 -2.023 2.235
57 H GLY 10 H GLY 10 -1.162 -1.763 4.813
58 HA2 GLY 10 HA2 GLY 10 0.072 -4.290 4.029
59 HA3 GLY 10 HA3 GLY 10 0.668 -3.204 5.289
60 H ILE 11 H ILE 11 0.470 -5.639 6.226
61 HA ILE 11 HA ILE 11 -2.073 -6.469 7.065
62 HB ILE 11 HB ILE 11 0.638 -6.999 8.328
63 HG12 ILE 11 HG12 ILE 11 -1.045 -8.720 6.488
64 HG13 ILE 11 HG13 ILE 11 0.363 -7.790 5.988
65 HG21 ILE 11 HG21 ILE 11 -2.001 -8.393 8.814
66 HG22 ILE 11 HG22 ILE 11 -1.133 -7.382 9.968
67 HG23 ILE 11 HG23 ILE 11 -0.437 -8.917 9.440
68 HD11 ILE 11 HD11 ILE 11 0.355 -10.061 7.965
69 HD12 ILE 11 HD12 ILE 11 1.772 -9.149 7.436
70 HD13 ILE 11 HD13 ILE 11 0.888 -10.145 6.284
71 H GLY 12 H GLY 12 -3.424 -5.439 8.315
72 HA2 GLY 12 HA2 GLY 12 -3.959 -4.742 10.567
73 HA3 GLY 12 HA3 GLY 12 -2.377 -3.982 10.647
74 H TYR 13 H TYR 13 -3.053 -3.129 7.719
75 HA TYR 13 HA TYR 13 -4.202 -0.599 8.611
76 HB2 TYR 13 HB2 TYR 13 -2.081 -0.666 7.237
77 HB3 TYR 13 HB3 TYR 13 -3.040 -1.273 5.893
78 HD1 TYR 13 HD1 TYR 13 -4.555 0.212 4.690
79 HD2 TYR 13 HD2 TYR 13 -2.254 1.634 7.960
80 HE1 TYR 13 HE1 TYR 13 -5.065 2.507 4.033
81 HE2 TYR 13 HE2 TYR 13 -2.755 3.953 7.318
82 HH TYR 13 HH TYR 13 -5.176 4.788 5.251
83 H SER 14 H SER 14 -6.334 -0.200 8.318
84 HA SER 14 HA SER 14 -7.767 -1.859 6.370
85 HB2 SER 14 HB2 SER 14 -9.709 -1.477 7.966
86 HB3 SER 14 HB3 SER 14 -8.400 -2.503 8.560
87 HG SER 14 HG SER 14 -8.653 -1.164 10.173
88 H GLY 15 H GLY 15 -6.543 0.871 6.083
89 HA2 GLY 15 HA2 GLY 15 -8.883 2.584 5.714
90 HA3 GLY 15 HA3 GLY 15 -7.201 3.078 5.540
91 HA PRO 16 HA PRO 16 -8.743 2.649 1.253
92 HB2 PRO 16 HB2 PRO 16 -7.227 4.639 0.184
93 HB3 PRO 16 HB3 PRO 16 -8.789 4.920 0.963
94 HG2 PRO 16 HG2 PRO 16 -6.036 5.327 2.031
95 HG3 PRO 16 HG3 PRO 16 -7.493 6.301 2.283
96 HD2 PRO 16 HD2 PRO 16 -6.504 4.489 4.095
97 HD3 PRO 16 HD3 PRO 16 -8.203 4.996 4.022
98 H THR 17 H THR 17 -7.827 0.792 0.638
99 HA THR 17 HA THR 17 -4.981 0.519 0.655
100 HB THR 17 HB THR 17 -5.517 -1.863 0.052
101 HG1 THR 17 HG1 THR 17 -7.448 -2.125 -0.701
102 HG21 THR 17 HG21 THR 17 -5.219 -1.119 2.399
103 HG22 THR 17 HG22 THR 17 -6.403 -2.423 2.273
104 HG23 THR 17 HG23 THR 17 -6.938 -0.756 2.485
105 H VAL 18 H VAL 18 -7.445 1.279 -1.551
106 HA VAL 18 HA VAL 18 -6.038 0.424 -3.912
107 HB VAL 18 HB VAL 18 -8.392 2.334 -3.664
108 HG11 VAL 18 HG11 VAL 18 -7.175 2.650 -5.772
109 HG12 VAL 18 HG12 VAL 18 -8.753 1.916 -6.056
110 HG13 VAL 18 HG13 VAL 18 -7.298 0.921 -6.104
111 HG21 VAL 18 HG21 VAL 18 -8.901 0.077 -2.855
112 HG22 VAL 18 HG22 VAL 18 -8.339 -0.591 -4.395
113 HG23 VAL 18 HG23 VAL 18 -9.763 0.443 -4.349
114 H CYS 19 H CYS 19 -4.311 1.401 -4.658
115 HA CYS 19 HA CYS 19 -3.546 4.025 -3.827
116 HB2 CYS 19 HB2 CYS 19 -2.335 2.130 -5.835
117 HB3 CYS 19 HB3 CYS 19 -1.603 3.640 -5.307
118 H ALA 20 H ALA 20 -3.040 5.746 -5.263
119 HA ALA 20 HA ALA 20 -5.126 6.367 -7.031
120 HB1 ALA 20 HB1 ALA 20 -3.879 8.413 -7.467
121 HB2 ALA 20 HB2 ALA 20 -2.450 7.723 -6.699
122 HB3 ALA 20 HB3 ALA 20 -3.889 8.055 -5.739
123 H SER 21 H SER 21 -4.651 7.203 -9.258
124 HA SER 21 HA SER 21 -4.027 5.090 -10.905
125 HB2 SER 21 HB2 SER 21 -4.216 7.045 -12.613
126 HB3 SER 21 HB3 SER 21 -5.627 6.591 -11.647
127 HG SER 21 HG SER 21 -3.789 8.673 -11.134
128 H GLY 22 H GLY 22 -2.092 4.368 -11.466
129 HA2 GLY 22 HA2 GLY 22 -0.060 4.718 -12.644
130 HA3 GLY 22 HA3 GLY 22 0.067 6.301 -11.893
131 H THR 23 H THR 23 -0.922 4.537 -9.405
132 HA THR 23 HA THR 23 1.834 3.828 -8.705
133 HB THR 23 HB THR 23 1.340 4.444 -6.359
134 HG1 THR 23 HG1 THR 23 -1.225 4.858 -7.431
135 HG21 THR 23 HG21 THR 23 2.305 6.139 -7.836
136 HG22 THR 23 HG22 THR 23 1.221 6.869 -6.646
137 HG23 THR 23 HG23 THR 23 0.682 6.645 -8.309
138 H THR 24 H THR 24 2.192 1.869 -7.764
139 HA THR 24 HA THR 24 -0.153 0.132 -7.548
140 HB THR 24 HB THR 24 1.536 -1.750 -7.704
141 HG1 THR 24 HG1 THR 24 3.282 0.412 -7.774
142 HG21 THR 24 HG21 THR 24 1.425 0.164 -10.040
143 HG22 THR 24 HG22 THR 24 0.232 -1.076 -9.661
144 HG23 THR 24 HG23 THR 24 1.867 -1.540 -10.141
145 H CYS 25 H CYS 25 -0.461 -1.077 -5.664
146 HA CYS 25 HA CYS 25 0.796 -0.004 -3.327
147 HB2 CYS 25 HB2 CYS 25 -1.592 -0.644 -3.264
148 HB3 CYS 25 HB3 CYS 25 -1.166 -2.309 -3.625
149 H GLN 26 H GLN 26 2.845 -0.545 -3.090
150 HA GLN 26 HA GLN 26 3.642 -3.273 -3.699
151 HB2 GLN 26 HB2 GLN 26 5.315 -0.822 -3.178
152 HB3 GLN 26 HB3 GLN 26 5.937 -2.410 -3.593
153 HG2 GLN 26 HG2 GLN 26 4.715 -2.271 -5.747
154 HG3 GLN 26 HG3 GLN 26 4.246 -0.628 -5.322
155 HE21 GLN 26 HE21 GLN 26 5.324 0.272 -7.049
156 HE22 GLN 26 HE22 GLN 26 7.041 0.353 -7.119
157 H VAL 27 H VAL 27 3.798 -4.610 -2.150
158 HA VAL 27 HA VAL 27 3.737 -3.846 0.608
159 HB VAL 27 HB VAL 27 4.220 -6.570 -0.670
160 HG11 VAL 27 HG11 VAL 27 3.419 -5.891 2.154
161 HG12 VAL 27 HG12 VAL 27 4.981 -6.525 1.635
162 HG13 VAL 27 HG13 VAL 27 3.528 -7.515 1.476
163 HG21 VAL 27 HG21 VAL 27 2.067 -5.664 -1.335
164 HG22 VAL 27 HG22 VAL 27 1.657 -5.355 0.355
165 HG23 VAL 27 HG23 VAL 27 1.849 -7.011 -0.214
166 H LEU 28 H LEU 28 5.551 -2.805 1.231
167 HA LEU 28 HA LEU 28 8.173 -3.612 0.265
168 HB2 LEU 28 HB2 LEU 28 7.534 -1.581 2.405
169 HB3 LEU 28 HB3 LEU 28 9.043 -1.754 1.535
170 HG LEU 28 HG LEU 28 6.429 -0.700 0.467
171 HD11 LEU 28 HD11 LEU 28 9.121 0.584 0.810
172 HD12 LEU 28 HD12 LEU 28 7.714 0.831 1.838
173 HD13 LEU 28 HD13 LEU 28 7.675 1.352 0.152
174 HD21 LEU 28 HD21 LEU 28 7.607 -0.295 -1.631
175 HD22 LEU 28 HD22 LEU 28 7.484 -2.021 -1.283
176 HD23 LEU 28 HD23 LEU 28 9.012 -1.167 -1.018
177 H ASN 29 H ASN 29 6.305 -3.613 3.185
178 HA ASN 29 HA ASN 29 8.037 -5.674 4.333
179 HB2 ASN 29 HB2 ASN 29 6.757 -3.322 5.786
180 HB3 ASN 29 HB3 ASN 29 7.542 -4.689 6.563
181 HD21 ASN 29 HD21 ASN 29 7.997 -1.758 4.772
182 HD22 ASN 29 HD22 ASN 29 9.685 -1.595 5.068
183 HA PRO 30 HA PRO 30 4.129 -7.734 4.736
184 HB2 PRO 30 HB2 PRO 30 4.515 -8.013 7.676
185 HB3 PRO 30 HB3 PRO 30 4.207 -9.263 6.465
186 HG2 PRO 30 HG2 PRO 30 6.629 -9.000 7.503
187 HG3 PRO 30 HG3 PRO 30 6.432 -9.329 5.773
188 HD2 PRO 30 HD2 PRO 30 7.048 -6.740 7.149
189 HD3 PRO 30 HD3 PRO 30 7.747 -7.387 5.656
190 H TYR 31 H TYR 31 4.802 -5.321 7.231
191 HA TYR 31 HA TYR 31 1.926 -4.847 7.451
192 HB2 TYR 31 HB2 TYR 31 4.158 -3.751 9.186
193 HB3 TYR 31 HB3 TYR 31 2.428 -3.598 9.469
194 HD1 TYR 31 HD1 TYR 31 1.102 -5.604 10.070
195 HD2 TYR 31 HD2 TYR 31 5.337 -5.738 9.791
196 HE1 TYR 31 HE1 TYR 31 1.108 -7.727 11.292
197 HE2 TYR 31 HE2 TYR 31 5.355 -7.863 11.027
198 HH TYR 31 HH TYR 31 3.848 -9.080 12.633
199 H TYR 32 H TYR 32 4.851 -3.385 6.235
200 HA TYR 32 HA TYR 32 3.308 -0.957 5.740
201 HB2 TYR 32 HB2 TYR 32 5.599 -0.654 6.831
202 HB3 TYR 32 HB3 TYR 32 6.279 -1.253 5.336
203 HD1 TYR 32 HD1 TYR 32 6.814 0.207 3.626
204 HD2 TYR 32 HD2 TYR 32 3.965 1.401 6.537
205 HE1 TYR 32 HE1 TYR 32 6.692 2.432 2.585
206 HE2 TYR 32 HE2 TYR 32 3.836 3.634 5.516
207 HH TYR 32 HH TYR 32 5.225 5.090 4.090
208 H SER 33 H SER 33 2.305 -0.892 3.907
209 HA SER 33 HA SER 33 3.666 -1.817 1.488
210 HB2 SER 33 HB2 SER 33 0.693 -1.592 2.067
211 HB3 SER 33 HB3 SER 33 1.389 -2.182 0.565
212 HG SER 33 HG SER 33 0.717 -3.827 2.054
213 H GLN 34 H GLN 34 3.761 -0.265 -0.169
214 HA GLN 34 HA GLN 34 2.743 2.396 0.553
215 HB2 GLN 34 HB2 GLN 34 5.115 2.200 1.142
216 HB3 GLN 34 HB3 GLN 34 5.485 1.720 -0.504
217 HG2 GLN 34 HG2 GLN 34 4.823 3.894 -1.316
218 HG3 GLN 34 HG3 GLN 34 4.346 4.378 0.313
219 HE21 GLN 34 HE21 GLN 34 5.971 4.774 1.836
220 HE22 GLN 34 HE22 GLN 34 7.597 5.080 1.355
221 H CYS 35 H CYS 35 1.926 3.557 -1.105
222 HA CYS 35 HA CYS 35 1.505 2.264 -3.627
223 HB2 CYS 35 HB2 CYS 35 0.826 5.074 -2.743
224 HB3 CYS 35 HB3 CYS 35 0.320 4.339 -4.257
225 H LEU 36 H LEU 36 3.139 2.083 -4.919
226 HA LEU 36 HA LEU 36 4.631 4.489 -5.621
227 HB2 LEU 36 HB2 LEU 36 5.694 1.688 -5.319
228 HB3 LEU 36 HB3 LEU 36 6.571 2.972 -6.120
229 HG LEU 36 HG LEU 36 5.748 3.004 -3.216
230 HD11 LEU 36 HD11 LEU 36 8.112 2.618 -2.756
231 HD12 LEU 36 HD12 LEU 36 8.436 2.475 -4.484
232 HD13 LEU 36 HD13 LEU 36 7.422 1.279 -3.672
233 HD21 LEU 36 HD21 LEU 36 7.297 4.912 -3.079
234 HD22 LEU 36 HD22 LEU 36 5.953 5.245 -4.164
235 HD23 LEU 36 HD23 LEU 36 7.537 4.833 -4.823
236 H1 MAN 101 H1 MAN 101 -6.312 8.296 -6.758
237 H2 MAN 101 H2 MAN 101 -7.855 10.557 -5.555
238 H3 MAN 101 H3 MAN 101 -9.120 10.642 -7.531
239 H4 MAN 101 H4 MAN 101 -6.544 9.814 -8.938
240 H5 MAN 101 H5 MAN 101 -9.180 8.304 -9.123
241 H61 MAN 101 H61 MAN 101 -6.212 7.678 -9.012
242 H62 MAN 101 H62 MAN 101 -7.314 7.432 -10.373
243 HO2 MAN 101 HO2 MAN 101 -6.128 11.630 -6.546
244 HO3 MAN 101 HO3 MAN 101 -8.096 12.331 -8.719
245 HO4 MAN 101 HO4 MAN 101 -9.115 10.560 -9.959
246 HO6 MAN 101 HO6 MAN 101 -8.403 6.112 -8.375
Start of MODEL 3
1 H1 THR 1 H1 THR 1 -8.532 7.675 -2.299
2 H2 THR 1 H2 THR 1 -8.650 6.293 -1.366
3 H3 THR 1 H3 THR 1 -9.308 6.301 -2.917
4 HA THR 1 HA THR 1 -7.239 5.107 -2.886
5 HB THR 1 HB THR 1 -5.908 6.577 -4.456
6 HG21 THR 1 HG21 THR 1 -7.626 6.383 -6.254
7 HG22 THR 1 HG22 THR 1 -8.862 6.148 -5.014
8 HG23 THR 1 HG23 THR 1 -7.593 4.952 -5.227
9 H GLN 2 H GLN 2 -5.129 4.960 -2.310
10 HA GLN 2 HA GLN 2 -4.202 6.801 -0.285
11 HB2 GLN 2 HB2 GLN 2 -3.921 4.319 -0.030
12 HB3 GLN 2 HB3 GLN 2 -2.868 4.336 -1.437
13 HG2 GLN 2 HG2 GLN 2 -1.473 4.314 0.503
14 HG3 GLN 2 HG3 GLN 2 -1.369 5.906 -0.234
15 HE21 GLN 2 HE21 GLN 2 -4.001 4.694 1.731
16 HE22 GLN 2 HE22 GLN 2 -3.799 5.780 3.039
17 H SER 3 H SER 3 -2.370 8.040 -0.583
18 HA SER 3 HA SER 3 -1.868 8.754 -3.330
19 HB2 SER 3 HB2 SER 3 -0.796 9.964 -0.780
20 HB3 SER 3 HB3 SER 3 -0.775 10.693 -2.390
21 HG SER 3 HG SER 3 -3.153 9.832 -1.177
22 H HIS 4 H HIS 4 0.336 9.122 -4.051
23 HA HIS 4 HA HIS 4 1.975 6.862 -3.974
24 HB2 HIS 4 HB2 HIS 4 1.805 8.662 -5.752
25 HB3 HIS 4 HB3 HIS 4 2.746 9.695 -4.696
26 HD1 HIS 4 HD1 HIS 4 4.891 9.926 -5.952
27 HD2 HIS 4 HD2 HIS 4 3.596 5.997 -5.783
28 HE1 HIS 4 HE1 HIS 4 6.639 8.600 -7.132
29 HE2 HIS 4 HE2 HIS 4 5.701 6.292 -7.249
30 H TYR 5 H TYR 5 3.595 6.271 -2.637
31 HA TYR 5 HA TYR 5 5.083 6.201 -0.999
32 HB2 TYR 5 HB2 TYR 5 4.985 9.190 -1.201
33 HB3 TYR 5 HB3 TYR 5 5.828 8.430 0.145
34 HD1 TYR 5 HD1 TYR 5 7.953 7.568 -0.120
35 HD2 TYR 5 HD2 TYR 5 5.739 8.648 -3.558
36 HE1 TYR 5 HE1 TYR 5 9.985 7.301 -1.490
37 HE2 TYR 5 HE2 TYR 5 7.756 8.387 -4.947
38 HH TYR 5 HH TYR 5 10.603 6.884 -3.805
39 H GLY 6 H GLY 6 2.042 6.558 -0.588
40 HA2 GLY 6 HA2 GLY 6 2.178 6.816 2.327
41 HA3 GLY 6 HA3 GLY 6 0.713 6.890 1.348
42 H GLN 7 H GLN 7 1.096 5.188 3.603
43 HA GLN 7 HA GLN 7 1.647 2.543 2.665
44 HB2 GLN 7 HB2 GLN 7 1.888 3.362 5.095
45 HB3 GLN 7 HB3 GLN 7 0.133 3.254 5.182
46 HG2 GLN 7 HG2 GLN 7 0.260 0.861 4.655
47 HG3 GLN 7 HG3 GLN 7 2.014 0.972 4.600
48 HE21 GLN 7 HE21 GLN 7 -0.736 0.835 6.578
49 HE22 GLN 7 HE22 GLN 7 0.054 0.698 8.102
50 H CYS 8 H CYS 8 0.349 1.623 1.265
51 HA CYS 8 HA CYS 8 -2.329 2.457 0.832
52 HB2 CYS 8 HB2 CYS 8 -2.269 0.437 -0.774
53 HB3 CYS 8 HB3 CYS 8 -1.230 1.818 -1.108
54 H GLY 9 H GLY 9 -1.125 -0.778 1.646
55 HA2 GLY 9 HA2 GLY 9 -3.172 -1.032 3.611
56 HA3 GLY 9 HA3 GLY 9 -3.590 -1.867 2.131
57 H GLY 10 H GLY 10 -0.967 -1.537 4.439
58 HA2 GLY 10 HA2 GLY 10 -0.073 -4.233 3.883
59 HA3 GLY 10 HA3 GLY 10 0.615 -3.131 5.079
60 H ILE 11 H ILE 11 0.373 -5.485 6.137
61 HA ILE 11 HA ILE 11 -2.145 -6.326 7.016
62 HB ILE 11 HB ILE 11 0.559 -6.736 8.342
63 HG12 ILE 11 HG12 ILE 11 -1.025 -8.524 6.473
64 HG13 ILE 11 HG13 ILE 11 0.408 -7.604 6.039
65 HG21 ILE 11 HG21 ILE 11 -0.483 -8.648 9.488
66 HG22 ILE 11 HG22 ILE 11 -2.045 -8.203 8.801
67 HG23 ILE 11 HG23 ILE 11 -1.245 -7.122 9.942
68 HD11 ILE 11 HD11 ILE 11 0.933 -9.944 6.389
69 HD12 ILE 11 HD12 ILE 11 0.286 -9.863 8.028
70 HD13 ILE 11 HD13 ILE 11 1.728 -8.939 7.601
71 H GLY 12 H GLY 12 -3.535 -5.312 8.249
72 HA2 GLY 12 HA2 GLY 12 -4.102 -4.533 10.454
73 HA3 GLY 12 HA3 GLY 12 -2.529 -3.751 10.533
74 H TYR 13 H TYR 13 -3.384 -3.155 7.505
75 HA TYR 13 HA TYR 13 -4.730 -0.642 8.236
76 HB2 TYR 13 HB2 TYR 13 -2.404 -0.636 7.135
77 HB3 TYR 13 HB3 TYR 13 -3.207 -1.215 5.688
78 HD1 TYR 13 HD1 TYR 13 -2.397 1.631 7.722
79 HD2 TYR 13 HD2 TYR 13 -4.909 0.301 4.569
80 HE1 TYR 13 HE1 TYR 13 -2.804 3.959 7.087
81 HE2 TYR 13 HE2 TYR 13 -5.347 2.644 3.930
82 HH TYR 13 HH TYR 13 -3.487 5.226 5.209
83 H SER 14 H SER 14 -6.792 -0.361 7.495
84 HA SER 14 HA SER 14 -7.681 -2.028 5.258
85 HB2 SER 14 HB2 SER 14 -9.888 -2.242 6.493
86 HB3 SER 14 HB3 SER 14 -8.533 -3.144 7.178
87 HG SER 14 HG SER 14 -9.630 -0.684 8.041
88 H GLY 15 H GLY 15 -7.094 0.997 6.086
89 HA2 GLY 15 HA2 GLY 15 -9.538 2.349 5.386
90 HA3 GLY 15 HA3 GLY 15 -7.959 3.073 5.598
91 HA PRO 16 HA PRO 16 -8.483 3.496 1.117
92 HB2 PRO 16 HB2 PRO 16 -6.433 5.301 0.812
93 HB3 PRO 16 HB3 PRO 16 -8.092 5.739 1.218
94 HG2 PRO 16 HG2 PRO 16 -5.712 5.498 2.987
95 HG3 PRO 16 HG3 PRO 16 -7.056 6.648 3.065
96 HD2 PRO 16 HD2 PRO 16 -6.821 4.465 4.707
97 HD3 PRO 16 HD3 PRO 16 -8.371 5.206 4.265
98 H THR 17 H THR 17 -7.801 1.399 0.845
99 HA THR 17 HA THR 17 -5.045 0.656 0.922
100 HB THR 17 HB THR 17 -6.088 -1.559 0.186
101 HG1 THR 17 HG1 THR 17 -8.281 -1.686 0.212
102 HG21 THR 17 HG21 THR 17 -5.486 -1.056 2.532
103 HG22 THR 17 HG22 THR 17 -6.973 -2.001 2.441
104 HG23 THR 17 HG23 THR 17 -7.049 -0.267 2.750
105 H VAL 18 H VAL 18 -7.413 1.498 -1.474
106 HA VAL 18 HA VAL 18 -5.889 0.435 -3.688
107 HB VAL 18 HB VAL 18 -8.316 2.269 -3.697
108 HG11 VAL 18 HG11 VAL 18 -8.576 1.620 -6.053
109 HG12 VAL 18 HG12 VAL 18 -7.063 0.719 -5.965
110 HG13 VAL 18 HG13 VAL 18 -7.058 2.473 -5.776
111 HG21 VAL 18 HG21 VAL 18 -8.123 -0.710 -4.143
112 HG22 VAL 18 HG22 VAL 18 -9.593 0.260 -4.263
113 HG23 VAL 18 HG23 VAL 18 -8.780 0.075 -2.709
114 H CYS 19 H CYS 19 -4.395 1.509 -4.819
115 HA CYS 19 HA CYS 19 -3.551 4.071 -3.839
116 HB2 CYS 19 HB2 CYS 19 -2.411 2.262 -5.959
117 HB3 CYS 19 HB3 CYS 19 -1.653 3.744 -5.391
118 H ALA 20 H ALA 20 -2.871 5.766 -5.361
119 HA ALA 20 HA ALA 20 -5.020 6.644 -6.978
120 HB1 ALA 20 HB1 ALA 20 -3.589 8.557 -7.467
121 HB2 ALA 20 HB2 ALA 20 -2.196 7.697 -6.816
122 HB3 ALA 20 HB3 ALA 20 -3.512 8.169 -5.745
123 H SER 21 H SER 21 -4.944 7.120 -9.235
124 HA SER 21 HA SER 21 -4.293 5.061 -10.909
125 HB2 SER 21 HB2 SER 21 -4.598 6.858 -12.717
126 HB3 SER 21 HB3 SER 21 -5.936 6.593 -11.604
127 HG SER 21 HG SER 21 -4.003 8.670 -11.536
128 H GLY 22 H GLY 22 -2.364 4.254 -11.368
129 HA2 GLY 22 HA2 GLY 22 -0.418 4.525 -12.752
130 HA3 GLY 22 HA3 GLY 22 -0.204 6.128 -12.055
131 H THR 23 H THR 23 -1.098 4.608 -9.459
132 HA THR 23 HA THR 23 1.623 3.696 -8.871
133 HB THR 23 HB THR 23 1.269 4.420 -6.523
134 HG1 THR 23 HG1 THR 23 -1.289 4.995 -7.526
135 HG21 THR 23 HG21 THR 23 0.745 6.592 -8.551
136 HG22 THR 23 HG22 THR 23 2.326 5.962 -8.087
137 HG23 THR 23 HG23 THR 23 1.349 6.837 -6.912
138 H THR 24 H THR 24 1.876 1.796 -7.687
139 HA THR 24 HA THR 24 -0.595 0.288 -7.295
140 HB THR 24 HB THR 24 0.945 -1.750 -7.578
141 HG1 THR 24 HG1 THR 24 2.776 0.214 -7.951
142 HG21 THR 24 HG21 THR 24 0.709 -1.700 -10.040
143 HG22 THR 24 HG22 THR 24 0.349 0.024 -9.955
144 HG23 THR 24 HG23 THR 24 -0.751 -1.140 -9.225
145 H CYS 25 H CYS 25 -0.612 -1.193 -5.518
146 HA CYS 25 HA CYS 25 0.750 -0.090 -3.242
147 HB2 CYS 25 HB2 CYS 25 -1.624 -0.806 -3.090
148 HB3 CYS 25 HB3 CYS 25 -1.146 -2.458 -3.455
149 H GLN 26 H GLN 26 2.863 -0.612 -3.092
150 HA GLN 26 HA GLN 26 3.585 -3.348 -3.758
151 HB2 GLN 26 HB2 GLN 26 5.382 -0.934 -3.495
152 HB3 GLN 26 HB3 GLN 26 5.908 -2.554 -3.930
153 HG2 GLN 26 HG2 GLN 26 4.393 -2.425 -5.918
154 HG3 GLN 26 HG3 GLN 26 4.118 -0.732 -5.517
155 HE21 GLN 26 HE21 GLN 26 5.026 0.050 -7.368
156 HE22 GLN 26 HE22 GLN 26 6.705 -0.053 -7.731
157 H VAL 27 H VAL 27 4.328 -4.684 -2.334
158 HA VAL 27 HA VAL 27 4.094 -4.009 0.452
159 HB VAL 27 HB VAL 27 4.983 -6.622 -0.820
160 HG11 VAL 27 HG11 VAL 27 4.278 -7.658 1.279
161 HG12 VAL 27 HG12 VAL 27 3.887 -6.067 1.928
162 HG13 VAL 27 HG13 VAL 27 5.557 -6.469 1.539
163 HG21 VAL 27 HG21 VAL 27 2.213 -5.750 -0.010
164 HG22 VAL 27 HG22 VAL 27 2.654 -7.375 -0.531
165 HG23 VAL 27 HG23 VAL 27 2.781 -6.020 -1.656
166 H LEU 28 H LEU 28 5.769 -2.819 1.226
167 HA LEU 28 HA LEU 28 8.493 -3.450 0.396
168 HB2 LEU 28 HB2 LEU 28 7.598 -1.372 2.395
169 HB3 LEU 28 HB3 LEU 28 9.173 -1.497 1.658
170 HG LEU 28 HG LEU 28 6.604 -0.589 0.372
171 HD11 LEU 28 HD11 LEU 28 7.831 1.467 -0.003
172 HD12 LEU 28 HD12 LEU 28 9.251 0.766 0.763
173 HD13 LEU 28 HD13 LEU 28 7.801 1.054 1.713
174 HD21 LEU 28 HD21 LEU 28 7.866 -0.273 -1.681
175 HD22 LEU 28 HD22 LEU 28 7.778 -1.984 -1.245
176 HD23 LEU 28 HD23 LEU 28 9.264 -1.064 -0.955
177 H ASN 29 H ASN 29 6.378 -3.613 3.135
178 HA ASN 29 HA ASN 29 8.123 -5.529 4.454
179 HB2 ASN 29 HB2 ASN 29 6.856 -3.093 5.786
180 HB3 ASN 29 HB3 ASN 29 7.485 -4.484 6.648
181 HD21 ASN 29 HD21 ASN 29 8.284 -1.609 4.880
182 HD22 ASN 29 HD22 ASN 29 9.948 -1.606 5.279
183 HA PRO 30 HA PRO 30 4.239 -7.659 5.036
184 HB2 PRO 30 HB2 PRO 30 4.651 -7.583 7.988
185 HB3 PRO 30 HB3 PRO 30 4.306 -8.965 6.942
186 HG2 PRO 30 HG2 PRO 30 6.743 -8.624 7.879
187 HG3 PRO 30 HG3 PRO 30 6.513 -9.111 6.191
188 HD2 PRO 30 HD2 PRO 30 7.174 -6.426 7.318
189 HD3 PRO 30 HD3 PRO 30 7.837 -7.206 5.871
190 H TYR 31 H TYR 31 4.792 -5.157 7.511
191 HA TYR 31 HA TYR 31 1.926 -4.626 7.535
192 HB2 TYR 31 HB2 TYR 31 4.132 -3.425 9.223
193 HB3 TYR 31 HB3 TYR 31 2.415 -3.119 9.412
194 HD1 TYR 31 HD1 TYR 31 5.147 -5.429 10.067
195 HD2 TYR 31 HD2 TYR 31 0.945 -4.876 10.302
196 HE1 TYR 31 HE1 TYR 31 4.998 -7.295 11.662
197 HE2 TYR 31 HE2 TYR 31 0.783 -6.734 11.887
198 HH TYR 31 HH TYR 31 2.074 -8.731 12.455
199 H TYR 32 H TYR 32 4.876 -3.275 6.260
200 HA TYR 32 HA TYR 32 3.395 -0.824 5.657
201 HB2 TYR 32 HB2 TYR 32 5.752 -0.619 6.733
202 HB3 TYR 32 HB3 TYR 32 6.352 -1.207 5.201
203 HD1 TYR 32 HD1 TYR 32 4.329 1.520 6.657
204 HD2 TYR 32 HD2 TYR 32 6.716 0.232 3.401
205 HE1 TYR 32 HE1 TYR 32 4.237 3.780 5.712
206 HE2 TYR 32 HE2 TYR 32 6.637 2.493 2.443
207 HH TYR 32 HH TYR 32 5.405 5.183 4.207
208 H SER 33 H SER 33 2.413 -0.844 3.818
209 HA SER 33 HA SER 33 3.830 -1.865 1.464
210 HB2 SER 33 HB2 SER 33 0.836 -1.768 1.981
211 HB3 SER 33 HB3 SER 33 1.594 -2.381 0.516
212 HG SER 33 HG SER 33 2.656 -3.602 2.658
213 H GLN 34 H GLN 34 3.984 -0.314 -0.187
214 HA GLN 34 HA GLN 34 2.834 2.304 0.516
215 HB2 GLN 34 HB2 GLN 34 5.221 2.169 1.052
216 HB3 GLN 34 HB3 GLN 34 5.577 1.743 -0.613
217 HG2 GLN 34 HG2 GLN 34 4.830 3.925 -1.363
218 HG3 GLN 34 HG3 GLN 34 4.347 4.340 0.282
219 HE21 GLN 34 HE21 GLN 34 5.959 4.795 1.787
220 HE22 GLN 34 HE22 GLN 34 7.563 5.177 1.300
221 H CYS 35 H CYS 35 1.959 3.460 -1.105
222 HA CYS 35 HA CYS 35 1.509 2.191 -3.619
223 HB2 CYS 35 HB2 CYS 35 0.889 4.998 -2.716
224 HB3 CYS 35 HB3 CYS 35 0.414 4.335 -4.271
225 H LEU 36 H LEU 36 3.001 1.967 -4.988
226 HA LEU 36 HA LEU 36 4.600 4.229 -5.851
227 HB2 LEU 36 HB2 LEU 36 5.559 1.393 -5.384
228 HB3 LEU 36 HB3 LEU 36 6.485 2.629 -6.201
229 HG LEU 36 HG LEU 36 5.625 2.772 -3.306
230 HD11 LEU 36 HD11 LEU 36 7.966 2.338 -2.793
231 HD12 LEU 36 HD12 LEU 36 8.309 2.101 -4.509
232 HD13 LEU 36 HD13 LEU 36 7.241 0.985 -3.659
233 HD21 LEU 36 HD21 LEU 36 7.223 4.631 -3.194
234 HD22 LEU 36 HD22 LEU 36 5.914 4.970 -4.319
235 HD23 LEU 36 HD23 LEU 36 7.502 4.495 -4.929
236 H1 MAN 101 H1 MAN 101 -5.916 8.520 -5.813
237 H2 MAN 101 H2 MAN 101 -7.593 10.747 -4.615
238 H3 MAN 101 H3 MAN 101 -6.333 12.243 -6.062
239 H4 MAN 101 H4 MAN 101 -7.244 11.514 -8.295
240 H5 MAN 101 H5 MAN 101 -8.610 9.334 -8.253
241 H61 MAN 101 H61 MAN 101 -5.580 9.227 -7.939
242 H62 MAN 101 H62 MAN 101 -6.529 9.165 -9.427
243 HO2 MAN 101 HO2 MAN 101 -5.517 11.420 -3.922
244 HO3 MAN 101 HO3 MAN 101 -4.457 10.917 -6.189
245 HO4 MAN 101 HO4 MAN 101 -8.583 12.429 -6.603
246 HO6 MAN 101 HO6 MAN 101 -7.530 7.209 -8.112
Start of MODEL 4
1 H1 THR 1 H1 THR 1 -9.370 7.165 -3.320
2 H2 THR 1 H2 THR 1 -8.292 8.391 -2.858
3 H3 THR 1 H3 THR 1 -8.721 7.202 -1.762
4 HA THR 1 HA THR 1 -7.616 5.540 -3.109
5 HB THR 1 HB THR 1 -6.019 6.417 -4.812
6 HG21 THR 1 HG21 THR 1 -7.728 6.702 -6.599
7 HG22 THR 1 HG22 THR 1 -8.942 7.048 -5.375
8 HG23 THR 1 HG23 THR 1 -8.218 5.446 -5.466
9 H GLN 2 H GLN 2 -5.398 5.116 -2.552
10 HA GLN 2 HA GLN 2 -4.428 6.931 -0.553
11 HB2 GLN 2 HB2 GLN 2 -4.324 4.434 -0.230
12 HB3 GLN 2 HB3 GLN 2 -3.144 4.368 -1.537
13 HG2 GLN 2 HG2 GLN 2 -2.081 4.350 0.679
14 HG3 GLN 2 HG3 GLN 2 -1.616 5.756 -0.283
15 HE21 GLN 2 HE21 GLN 2 -3.360 4.653 2.466
16 HE22 GLN 2 HE22 GLN 2 -3.663 6.202 3.170
17 H SER 3 H SER 3 -2.556 8.054 -0.692
18 HA SER 3 HA SER 3 -2.041 9.019 -3.335
19 HB2 SER 3 HB2 SER 3 -0.858 9.852 -0.693
20 HB3 SER 3 HB3 SER 3 -0.877 10.788 -2.190
21 HG SER 3 HG SER 3 -2.809 10.484 -0.295
22 H HIS 4 H HIS 4 0.222 9.450 -3.996
23 HA HIS 4 HA HIS 4 1.774 7.085 -4.081
24 HB2 HIS 4 HB2 HIS 4 1.655 8.894 -5.854
25 HB3 HIS 4 HB3 HIS 4 2.591 9.921 -4.786
26 HD1 HIS 4 HD1 HIS 4 4.809 10.110 -5.868
27 HD2 HIS 4 HD2 HIS 4 3.387 6.214 -5.956
28 HE1 HIS 4 HE1 HIS 4 6.606 8.755 -6.985
29 HE2 HIS 4 HE2 HIS 4 5.702 6.416 -7.068
30 H TYR 5 H TYR 5 3.335 6.421 -2.745
31 HA TYR 5 HA TYR 5 4.761 6.223 -1.081
32 HB2 TYR 5 HB2 TYR 5 4.735 9.247 -0.889
33 HB3 TYR 5 HB3 TYR 5 5.703 8.225 0.164
34 HD1 TYR 5 HD1 TYR 5 7.271 6.527 -1.089
35 HD2 TYR 5 HD2 TYR 5 5.692 10.071 -2.824
36 HE1 TYR 5 HE1 TYR 5 9.083 6.513 -2.748
37 HE2 TYR 5 HE2 TYR 5 7.494 10.063 -4.486
38 HH TYR 5 HH TYR 5 9.790 9.158 -4.677
39 H GLY 6 H GLY 6 1.728 6.708 -0.828
40 HA2 GLY 6 HA2 GLY 6 1.602 6.991 2.065
41 HA3 GLY 6 HA3 GLY 6 0.234 6.866 0.957
42 H GLN 7 H GLN 7 0.387 5.353 3.263
43 HA GLN 7 HA GLN 7 1.377 2.719 2.599
44 HB2 GLN 7 HB2 GLN 7 1.327 3.772 4.946
45 HB3 GLN 7 HB3 GLN 7 -0.406 3.494 4.900
46 HG2 GLN 7 HG2 GLN 7 -0.052 1.097 4.734
47 HG3 GLN 7 HG3 GLN 7 1.693 1.342 4.704
48 HE21 GLN 7 HE21 GLN 7 0.208 -0.211 6.641
49 HE22 GLN 7 HE22 GLN 7 0.464 0.534 8.161
50 H CYS 8 H CYS 8 0.243 1.596 1.163
51 HA CYS 8 HA CYS 8 -2.482 2.205 0.579
52 HB2 CYS 8 HB2 CYS 8 -2.257 0.248 -1.018
53 HB3 CYS 8 HB3 CYS 8 -1.185 1.619 -1.280
54 H GLY 9 H GLY 9 -1.007 -0.876 1.595
55 HA2 GLY 9 HA2 GLY 9 -3.006 -1.323 3.529
56 HA3 GLY 9 HA3 GLY 9 -3.429 -2.117 2.017
57 H GLY 10 H GLY 10 -1.180 -1.966 4.610
58 HA2 GLY 10 HA2 GLY 10 -0.071 -4.521 3.737
59 HA3 GLY 10 HA3 GLY 10 0.600 -3.491 5.003
60 H ILE 11 H ILE 11 0.477 -5.717 6.068
61 HA ILE 11 HA ILE 11 -2.038 -6.671 6.905
62 HB ILE 11 HB ILE 11 0.735 -7.099 8.051
63 HG12 ILE 11 HG12 ILE 11 -0.975 -8.849 6.274
64 HG13 ILE 11 HG13 ILE 11 0.380 -7.869 5.730
65 HG21 ILE 11 HG21 ILE 11 -0.207 -9.051 9.210
66 HG22 ILE 11 HG22 ILE 11 -1.813 -8.596 8.640
67 HG23 ILE 11 HG23 ILE 11 -0.948 -7.546 9.762
68 HD11 ILE 11 HD11 ILE 11 1.010 -10.190 5.958
69 HD12 ILE 11 HD12 ILE 11 0.501 -10.180 7.644
70 HD13 ILE 11 HD13 ILE 11 1.879 -9.202 7.134
71 H GLY 12 H GLY 12 -3.371 -5.853 8.375
72 HA2 GLY 12 HA2 GLY 12 -3.988 -4.992 10.463
73 HA3 GLY 12 HA3 GLY 12 -2.310 -4.558 10.751
74 H TYR 13 H TYR 13 -3.712 -3.621 7.772
75 HA TYR 13 HA TYR 13 -3.913 -0.856 8.758
76 HB2 TYR 13 HB2 TYR 13 -2.175 -1.300 7.004
77 HB3 TYR 13 HB3 TYR 13 -3.450 -1.825 5.917
78 HD1 TYR 13 HD1 TYR 13 -4.538 -0.264 4.556
79 HD2 TYR 13 HD2 TYR 13 -2.270 1.102 7.877
80 HE1 TYR 13 HE1 TYR 13 -4.836 2.044 3.803
81 HE2 TYR 13 HE2 TYR 13 -2.566 3.424 7.131
82 HH TYR 13 HH TYR 13 -3.054 4.622 4.983
83 H SER 14 H SER 14 -5.831 0.378 8.200
84 HA SER 14 HA SER 14 -7.982 -1.186 6.958
85 HB2 SER 14 HB2 SER 14 -9.456 -0.137 8.785
86 HB3 SER 14 HB3 SER 14 -8.406 -1.485 9.226
87 HG SER 14 HG SER 14 -7.391 -0.245 10.524
88 H GLY 15 H GLY 15 -6.305 1.102 6.033
89 HA2 GLY 15 HA2 GLY 15 -8.311 3.244 5.781
90 HA3 GLY 15 HA3 GLY 15 -6.599 3.381 5.402
91 HA PRO 16 HA PRO 16 -8.636 2.686 1.396
92 HB2 PRO 16 HB2 PRO 16 -7.316 4.574 -0.014
93 HB3 PRO 16 HB3 PRO 16 -8.731 4.939 0.981
94 HG2 PRO 16 HG2 PRO 16 -5.853 5.425 1.530
95 HG3 PRO 16 HG3 PRO 16 -7.269 6.381 2.004
96 HD2 PRO 16 HD2 PRO 16 -5.877 4.595 3.656
97 HD3 PRO 16 HD3 PRO 16 -7.503 5.237 3.949
98 H THR 17 H THR 17 -7.876 0.873 0.458
99 HA THR 17 HA THR 17 -5.038 0.400 0.302
100 HB THR 17 HB THR 17 -5.828 -1.857 -0.559
101 HG1 THR 17 HG1 THR 17 -7.865 -1.921 -1.069
102 HG21 THR 17 HG21 THR 17 -6.507 -2.611 1.665
103 HG22 THR 17 HG22 THR 17 -6.896 -0.948 2.114
104 HG23 THR 17 HG23 THR 17 -5.229 -1.399 1.815
105 H VAL 18 H VAL 18 -7.577 1.419 -1.712
106 HA VAL 18 HA VAL 18 -6.449 0.626 -4.220
107 HB VAL 18 HB VAL 18 -8.480 2.812 -3.644
108 HG11 VAL 18 HG11 VAL 18 -7.443 3.087 -5.835
109 HG12 VAL 18 HG12 VAL 18 -9.125 2.586 -6.000
110 HG13 VAL 18 HG13 VAL 18 -7.830 1.413 -6.240
111 HG21 VAL 18 HG21 VAL 18 -9.262 0.633 -2.872
112 HG22 VAL 18 HG22 VAL 18 -8.917 -0.060 -4.455
113 HG23 VAL 18 HG23 VAL 18 -10.177 1.163 -4.284
114 H CYS 19 H CYS 19 -4.590 1.440 -4.922
115 HA CYS 19 HA CYS 19 -3.553 3.880 -3.903
116 HB2 CYS 19 HB2 CYS 19 -2.500 1.999 -6.027
117 HB3 CYS 19 HB3 CYS 19 -1.697 3.488 -5.564
118 H ALA 20 H ALA 20 -2.532 5.436 -5.489
119 HA ALA 20 HA ALA 20 -4.613 6.765 -6.840
120 HB1 ALA 20 HB1 ALA 20 -2.904 8.395 -7.368
121 HB2 ALA 20 HB2 ALA 20 -1.643 7.258 -6.905
122 HB3 ALA 20 HB3 ALA 20 -2.744 7.893 -5.684
123 H SER 21 H SER 21 -4.505 7.421 -9.088
124 HA SER 21 HA SER 21 -4.302 5.173 -10.761
125 HB2 SER 21 HB2 SER 21 -4.555 8.087 -11.501
126 HB3 SER 21 HB3 SER 21 -5.054 6.698 -12.472
127 HG SER 21 HG SER 21 -6.256 6.331 -10.229
128 H GLY 22 H GLY 22 -2.409 4.360 -11.402
129 HA2 GLY 22 HA2 GLY 22 -0.498 4.511 -12.800
130 HA3 GLY 22 HA3 GLY 22 -0.342 6.203 -12.344
131 H THR 23 H THR 23 -1.052 4.190 -9.709
132 HA THR 23 HA THR 23 1.809 3.867 -9.095
133 HB THR 23 HB THR 23 1.362 4.401 -6.713
134 HG1 THR 23 HG1 THR 23 -1.267 4.742 -7.694
135 HG21 THR 23 HG21 THR 23 2.081 6.243 -8.162
136 HG22 THR 23 HG22 THR 23 0.975 6.821 -6.915
137 HG23 THR 23 HG23 THR 23 0.400 6.585 -8.566
138 H THR 24 H THR 24 2.243 2.057 -7.626
139 HA THR 24 HA THR 24 0.039 0.124 -7.636
140 HB THR 24 HB THR 24 1.867 -1.641 -7.786
141 HG1 THR 24 HG1 THR 24 3.410 0.658 -7.916
142 HG21 THR 24 HG21 THR 24 1.531 0.229 -10.140
143 HG22 THR 24 HG22 THR 24 0.447 -1.095 -9.710
144 HG23 THR 24 HG23 THR 24 2.094 -1.438 -10.234
145 H CYS 25 H CYS 25 -0.250 -1.160 -5.804
146 HA CYS 25 HA CYS 25 0.923 -0.114 -3.390
147 HB2 CYS 25 HB2 CYS 25 -1.448 -0.744 -3.378
148 HB3 CYS 25 HB3 CYS 25 -1.041 -2.389 -3.848
149 H GLN 26 H GLN 26 2.991 -0.655 -3.155
150 HA GLN 26 HA GLN 26 3.709 -3.415 -3.716
151 HB2 GLN 26 HB2 GLN 26 5.484 -0.990 -3.446
152 HB3 GLN 26 HB3 GLN 26 6.054 -2.626 -3.746
153 HG2 GLN 26 HG2 GLN 26 4.698 -2.650 -5.827
154 HG3 GLN 26 HG3 GLN 26 4.325 -0.952 -5.549
155 HE21 GLN 26 HE21 GLN 26 5.307 -0.316 -7.425
156 HE22 GLN 26 HE22 GLN 26 7.020 -0.332 -7.653
157 H VAL 27 H VAL 27 4.484 -4.691 -2.255
158 HA VAL 27 HA VAL 27 4.024 -3.929 0.490
159 HB VAL 27 HB VAL 27 4.729 -6.632 -0.701
160 HG11 VAL 27 HG11 VAL 27 5.323 -6.496 1.662
161 HG12 VAL 27 HG12 VAL 27 3.944 -7.569 1.418
162 HG13 VAL 27 HG13 VAL 27 3.693 -5.939 2.047
163 HG21 VAL 27 HG21 VAL 27 2.596 -5.838 -1.534
164 HG22 VAL 27 HG22 VAL 27 2.061 -5.485 0.106
165 HG23 VAL 27 HG23 VAL 27 2.334 -7.153 -0.388
166 H LEU 28 H LEU 28 5.667 -2.749 1.168
167 HA LEU 28 HA LEU 28 8.418 -3.351 0.580
168 HB2 LEU 28 HB2 LEU 28 7.179 -1.421 2.532
169 HB3 LEU 28 HB3 LEU 28 8.883 -1.497 2.138
170 HG LEU 28 HG LEU 28 6.698 -0.804 0.172
171 HD11 LEU 28 HD11 LEU 28 6.934 0.907 1.845
172 HD12 LEU 28 HD12 LEU 28 7.625 1.461 0.318
173 HD13 LEU 28 HD13 LEU 28 8.682 0.926 1.628
174 HD21 LEU 28 HD21 LEU 28 8.557 -0.107 -1.244
175 HD22 LEU 28 HD22 LEU 28 8.640 -1.834 -0.869
176 HD23 LEU 28 HD23 LEU 28 9.688 -0.686 -0.019
177 H ASN 29 H ASN 29 6.344 -3.414 3.413
178 HA ASN 29 HA ASN 29 8.079 -5.428 4.635
179 HB2 ASN 29 HB2 ASN 29 6.623 -3.155 6.031
180 HB3 ASN 29 HB3 ASN 29 7.517 -4.437 6.820
181 HD21 ASN 29 HD21 ASN 29 7.834 -1.573 6.998
182 HD22 ASN 29 HD22 ASN 29 9.448 -1.229 6.536
183 HA PRO 30 HA PRO 30 4.340 -7.764 5.035
184 HB2 PRO 30 HB2 PRO 30 4.592 -7.731 8.005
185 HB3 PRO 30 HB3 PRO 30 4.376 -9.102 6.909
186 HG2 PRO 30 HG2 PRO 30 6.754 -8.644 7.962
187 HG3 PRO 30 HG3 PRO 30 6.619 -9.093 6.251
188 HD2 PRO 30 HD2 PRO 30 7.075 -6.406 7.479
189 HD3 PRO 30 HD3 PRO 30 7.834 -7.129 6.045
190 H TYR 31 H TYR 31 4.514 -5.230 7.576
191 HA TYR 31 HA TYR 31 1.600 -5.005 7.467
192 HB2 TYR 31 HB2 TYR 31 3.502 -3.553 9.336
193 HB3 TYR 31 HB3 TYR 31 1.767 -3.719 9.487
194 HD1 TYR 31 HD1 TYR 31 4.990 -5.278 10.102
195 HD2 TYR 31 HD2 TYR 31 0.788 -5.892 10.175
196 HE1 TYR 31 HE1 TYR 31 5.315 -7.245 11.520
197 HE2 TYR 31 HE2 TYR 31 1.104 -7.868 11.600
198 HH TYR 31 HH TYR 31 4.023 -8.559 13.153
199 H TYR 32 H TYR 32 4.502 -3.383 6.529
200 HA TYR 32 HA TYR 32 2.983 -0.982 5.845
201 HB2 TYR 32 HB2 TYR 32 5.025 -0.672 7.188
202 HB3 TYR 32 HB3 TYR 32 5.981 -1.348 5.877
203 HD1 TYR 32 HD1 TYR 32 3.682 1.429 6.706
204 HD2 TYR 32 HD2 TYR 32 6.846 0.070 4.190
205 HE1 TYR 32 HE1 TYR 32 3.928 3.690 5.786
206 HE2 TYR 32 HE2 TYR 32 7.084 2.328 3.281
207 HH TYR 32 HH TYR 32 5.892 4.320 3.036
208 H SER 33 H SER 33 2.196 -0.930 3.907
209 HA SER 33 HA SER 33 3.863 -1.795 1.673
210 HB2 SER 33 HB2 SER 33 0.839 -1.962 1.916
211 HB3 SER 33 HB3 SER 33 1.796 -2.509 0.539
212 HG SER 33 HG SER 33 2.801 -3.647 2.714
213 H GLN 34 H GLN 34 3.718 -0.331 -0.149
214 HA GLN 34 HA GLN 34 2.512 2.244 0.544
215 HB2 GLN 34 HB2 GLN 34 4.739 2.430 1.354
216 HB3 GLN 34 HB3 GLN 34 5.398 1.685 -0.087
217 HG2 GLN 34 HG2 GLN 34 4.936 3.648 -1.376
218 HG3 GLN 34 HG3 GLN 34 4.068 4.379 -0.022
219 HE21 GLN 34 HE21 GLN 34 5.216 5.356 1.604
220 HE22 GLN 34 HE22 GLN 34 6.929 5.556 1.562
221 H CYS 35 H CYS 35 1.786 3.437 -1.121
222 HA CYS 35 HA CYS 35 1.526 2.181 -3.685
223 HB2 CYS 35 HB2 CYS 35 0.723 4.956 -2.781
224 HB3 CYS 35 HB3 CYS 35 0.325 4.255 -4.343
225 H LEU 36 H LEU 36 3.190 2.082 -4.905
226 HA LEU 36 HA LEU 36 4.849 4.442 -5.337
227 HB2 LEU 36 HB2 LEU 36 5.540 1.501 -5.507
228 HB3 LEU 36 HB3 LEU 36 6.608 2.800 -5.995
229 HG LEU 36 HG LEU 36 5.609 2.387 -3.174
230 HD11 LEU 36 HD11 LEU 36 7.101 0.581 -3.864
231 HD12 LEU 36 HD12 LEU 36 7.866 1.641 -2.680
232 HD13 LEU 36 HD13 LEU 36 8.293 1.774 -4.385
233 HD21 LEU 36 HD21 LEU 36 6.129 4.710 -3.682
234 HD22 LEU 36 HD22 LEU 36 7.703 4.230 -4.316
235 HD23 LEU 36 HD23 LEU 36 7.340 4.021 -2.605
236 H1 MAN 101 H1 MAN 101 -4.881 8.229 -5.563
237 H2 MAN 101 H2 MAN 101 -5.157 10.500 -4.465
238 H3 MAN 101 H3 MAN 101 -7.452 10.987 -5.129
239 H4 MAN 101 H4 MAN 101 -6.293 11.099 -7.949
240 H5 MAN 101 H5 MAN 101 -8.258 9.117 -6.656
241 H61 MAN 101 H61 MAN 101 -7.969 7.871 -8.785
242 H62 MAN 101 H62 MAN 101 -7.059 9.227 -9.472
243 HO2 MAN 101 HO2 MAN 101 -4.358 11.624 -6.318
244 HO3 MAN 101 HO3 MAN 101 -6.925 13.052 -6.119
245 HO4 MAN 101 HO4 MAN 101 -8.506 11.433 -8.423
246 HO6 MAN 101 HO6 MAN 101 -9.090 9.606 -10.139
Start of MODEL 5
1 H1 THR 1 H1 THR 1 -8.822 6.339 -0.319
2 H2 THR 1 H2 THR 1 -9.633 6.390 -1.795
3 H3 THR 1 H3 THR 1 -8.616 7.655 -1.326
4 HA THR 1 HA THR 1 -7.679 4.948 -1.951
5 HB THR 1 HB THR 1 -6.533 6.137 -3.799
6 HG21 THR 1 HG21 THR 1 -8.686 4.964 -4.239
7 HG22 THR 1 HG22 THR 1 -8.549 6.399 -5.257
8 HG23 THR 1 HG23 THR 1 -9.569 6.434 -3.824
9 H GLN 2 H GLN 2 -5.235 5.118 -2.192
10 HA GLN 2 HA GLN 2 -4.161 6.953 -0.185
11 HB2 GLN 2 HB2 GLN 2 -4.000 4.464 0.296
12 HB3 GLN 2 HB3 GLN 2 -2.970 4.336 -1.121
13 HG2 GLN 2 HG2 GLN 2 -1.600 4.452 0.850
14 HG3 GLN 2 HG3 GLN 2 -1.400 5.920 -0.105
15 HE21 GLN 2 HE21 GLN 2 -4.146 5.233 1.951
16 HE22 GLN 2 HE22 GLN 2 -3.849 6.487 3.098
17 H SER 3 H SER 3 -2.376 8.168 -0.796
18 HA SER 3 HA SER 3 -2.038 8.425 -3.657
19 HB2 SER 3 HB2 SER 3 -1.065 10.156 -1.389
20 HB3 SER 3 HB3 SER 3 -1.082 10.568 -3.106
21 HG SER 3 HG SER 3 -3.495 9.955 -2.778
22 H HIS 4 H HIS 4 0.238 9.153 -4.286
23 HA HIS 4 HA HIS 4 1.988 6.994 -4.217
24 HB2 HIS 4 HB2 HIS 4 1.846 8.829 -5.920
25 HB3 HIS 4 HB3 HIS 4 2.654 9.895 -4.791
26 HD1 HIS 4 HD1 HIS 4 4.652 10.257 -6.381
27 HD2 HIS 4 HD2 HIS 4 4.020 6.274 -5.417
28 HE1 HIS 4 HE1 HIS 4 6.654 9.038 -7.230
29 HE2 HIS 4 HE2 HIS 4 6.037 6.641 -6.983
30 H TYR 5 H TYR 5 3.573 6.374 -2.870
31 HA TYR 5 HA TYR 5 4.990 6.198 -1.170
32 HB2 TYR 5 HB2 TYR 5 4.866 9.219 -0.976
33 HB3 TYR 5 HB3 TYR 5 5.897 8.216 0.029
34 HD1 TYR 5 HD1 TYR 5 7.405 6.509 -1.393
35 HD2 TYR 5 HD2 TYR 5 5.832 10.187 -2.825
36 HE1 TYR 5 HE1 TYR 5 9.180 6.596 -3.085
37 HE2 TYR 5 HE2 TYR 5 7.600 10.279 -4.531
38 HH TYR 5 HH TYR 5 9.871 9.373 -4.828
39 H GLY 6 H GLY 6 1.936 6.619 -0.874
40 HA2 GLY 6 HA2 GLY 6 1.903 6.916 2.020
41 HA3 GLY 6 HA3 GLY 6 0.500 6.878 0.955
42 H GLN 7 H GLN 7 0.717 5.376 3.260
43 HA GLN 7 HA GLN 7 1.463 2.679 2.577
44 HB2 GLN 7 HB2 GLN 7 1.629 3.641 4.928
45 HB3 GLN 7 HB3 GLN 7 -0.133 3.622 4.940
46 HG2 GLN 7 HG2 GLN 7 -0.143 1.213 4.685
47 HG3 GLN 7 HG3 GLN 7 1.620 1.196 4.630
48 HE21 GLN 7 HE21 GLN 7 -0.092 -0.163 6.502
49 HE22 GLN 7 HE22 GLN 7 0.292 0.428 8.057
50 H CYS 8 H CYS 8 0.225 1.847 1.076
51 HA CYS 8 HA CYS 8 -2.524 2.479 0.745
52 HB2 CYS 8 HB2 CYS 8 -2.369 0.595 -0.962
53 HB3 CYS 8 HB3 CYS 8 -1.370 2.023 -1.215
54 H GLY 9 H GLY 9 -0.977 -0.631 1.523
55 HA2 GLY 9 HA2 GLY 9 -2.997 -1.225 3.412
56 HA3 GLY 9 HA3 GLY 9 -3.340 -2.012 1.877
57 H GLY 10 H GLY 10 -1.258 -1.817 4.591
58 HA2 GLY 10 HA2 GLY 10 0.040 -4.309 3.787
59 HA3 GLY 10 HA3 GLY 10 0.576 -3.254 5.093
60 H ILE 11 H ILE 11 0.416 -5.678 5.970
61 HA ILE 11 HA ILE 11 -2.112 -6.639 6.734
62 HB ILE 11 HB ILE 11 0.617 -7.083 7.999
63 HG12 ILE 11 HG12 ILE 11 -0.965 -8.803 6.062
64 HG13 ILE 11 HG13 ILE 11 0.443 -7.836 5.656
65 HG21 ILE 11 HG21 ILE 11 -0.359 -9.076 9.064
66 HG22 ILE 11 HG22 ILE 11 -1.949 -8.606 8.455
67 HG23 ILE 11 HG23 ILE 11 -1.116 -7.583 9.621
68 HD11 ILE 11 HD11 ILE 11 1.822 -9.225 7.122
69 HD12 ILE 11 HD12 ILE 11 1.015 -10.186 5.882
70 HD13 ILE 11 HD13 ILE 11 0.404 -10.187 7.536
71 H GLY 12 H GLY 12 -3.488 -5.644 8.031
72 HA2 GLY 12 HA2 GLY 12 -4.126 -4.979 10.213
73 HA3 GLY 12 HA3 GLY 12 -2.477 -4.463 10.512
74 H TYR 13 H TYR 13 -3.569 -3.509 7.478
75 HA TYR 13 HA TYR 13 -4.196 -0.842 8.538
76 HB2 TYR 13 HB2 TYR 13 -2.184 -1.022 7.039
77 HB3 TYR 13 HB3 TYR 13 -3.244 -1.573 5.754
78 HD1 TYR 13 HD1 TYR 13 -2.338 1.299 7.879
79 HD2 TYR 13 HD2 TYR 13 -4.549 0.005 4.492
80 HE1 TYR 13 HE1 TYR 13 -2.669 3.641 7.212
81 HE2 TYR 13 HE2 TYR 13 -4.889 2.342 3.815
82 HH TYR 13 HH TYR 13 -3.088 4.825 5.069
83 H SER 14 H SER 14 -6.310 -0.547 8.619
84 HA SER 14 HA SER 14 -8.057 -1.890 6.701
85 HB2 SER 14 HB2 SER 14 -9.787 -1.277 8.466
86 HB3 SER 14 HB3 SER 14 -8.561 -2.440 8.964
87 HG SER 14 HG SER 14 -8.748 -0.928 10.566
88 H GLY 15 H GLY 15 -6.575 0.491 6.007
89 HA2 GLY 15 HA2 GLY 15 -8.639 2.568 6.020
90 HA3 GLY 15 HA3 GLY 15 -6.923 2.843 5.756
91 HA PRO 16 HA PRO 16 -8.791 2.781 1.596
92 HB2 PRO 16 HB2 PRO 16 -7.375 4.884 0.613
93 HB3 PRO 16 HB3 PRO 16 -8.875 5.081 1.523
94 HG2 PRO 16 HG2 PRO 16 -6.064 5.461 2.402
95 HG3 PRO 16 HG3 PRO 16 -7.524 6.347 2.870
96 HD2 PRO 16 HD2 PRO 16 -6.294 4.378 4.372
97 HD3 PRO 16 HD3 PRO 16 -7.977 4.901 4.566
98 H THR 17 H THR 17 -7.905 0.976 0.789
99 HA THR 17 HA THR 17 -5.072 0.592 0.729
100 HB THR 17 HB THR 17 -5.808 -1.694 -0.106
101 HG1 THR 17 HG1 THR 17 -8.023 -2.126 0.217
102 HG21 THR 17 HG21 THR 17 -6.905 -0.712 2.540
103 HG22 THR 17 HG22 THR 17 -5.239 -1.209 2.257
104 HG23 THR 17 HG23 THR 17 -6.543 -2.390 2.139
105 H VAL 18 H VAL 18 -7.393 1.741 -1.482
106 HA VAL 18 HA VAL 18 -6.059 0.654 -3.816
107 HB VAL 18 HB VAL 18 -8.340 2.653 -3.672
108 HG11 VAL 18 HG11 VAL 18 -8.755 2.047 -6.008
109 HG12 VAL 18 HG12 VAL 18 -7.327 1.012 -5.992
110 HG13 VAL 18 HG13 VAL 18 -7.152 2.755 -5.799
111 HG21 VAL 18 HG21 VAL 18 -9.791 0.743 -4.211
112 HG22 VAL 18 HG22 VAL 18 -8.974 0.530 -2.662
113 HG23 VAL 18 HG23 VAL 18 -8.404 -0.337 -4.086
114 H CYS 19 H CYS 19 -4.450 1.621 -4.836
115 HA CYS 19 HA CYS 19 -3.489 4.164 -3.933
116 HB2 CYS 19 HB2 CYS 19 -2.456 2.238 -6.018
117 HB3 CYS 19 HB3 CYS 19 -1.650 3.738 -5.566
118 H ALA 20 H ALA 20 -2.547 5.623 -5.793
119 HA ALA 20 HA ALA 20 -4.856 6.535 -7.258
120 HB1 ALA 20 HB1 ALA 20 -3.523 8.127 -5.948
121 HB2 ALA 20 HB2 ALA 20 -3.550 8.538 -7.658
122 HB3 ALA 20 HB3 ALA 20 -2.122 7.770 -6.961
123 H SER 21 H SER 21 -4.153 7.595 -9.471
124 HA SER 21 HA SER 21 -3.833 5.501 -11.283
125 HB2 SER 21 HB2 SER 21 -3.429 8.453 -11.737
126 HB3 SER 21 HB3 SER 21 -3.797 7.241 -12.964
127 HG SER 21 HG SER 21 -5.639 6.902 -11.202
128 H GLY 22 H GLY 22 -2.054 4.443 -11.890
129 HA2 GLY 22 HA2 GLY 22 0.052 4.243 -12.839
130 HA3 GLY 22 HA3 GLY 22 0.389 5.912 -12.408
131 H THR 23 H THR 23 -0.840 4.344 -9.738
132 HA THR 23 HA THR 23 1.863 3.640 -8.879
133 HB THR 23 HB THR 23 1.273 4.333 -6.557
134 HG1 THR 23 HG1 THR 23 -1.182 4.840 -7.779
135 HG21 THR 23 HG21 THR 23 2.468 5.909 -7.990
136 HG22 THR 23 HG22 THR 23 1.363 6.762 -6.912
137 HG23 THR 23 HG23 THR 23 0.935 6.526 -8.608
138 H THR 24 H THR 24 2.159 1.751 -7.847
139 HA THR 24 HA THR 24 -0.204 0.047 -7.596
140 HB THR 24 HB THR 24 1.503 -1.844 -7.763
141 HG1 THR 24 HG1 THR 24 3.203 0.325 -7.949
142 HG21 THR 24 HG21 THR 24 0.057 -1.251 -9.647
143 HG22 THR 24 HG22 THR 24 1.658 -1.719 -10.216
144 HG23 THR 24 HG23 THR 24 1.209 -0.013 -10.149
145 H CYS 25 H CYS 25 -0.427 -1.176 -5.725
146 HA CYS 25 HA CYS 25 0.856 -0.028 -3.426
147 HB2 CYS 25 HB2 CYS 25 -1.546 -0.547 -3.342
148 HB3 CYS 25 HB3 CYS 25 -1.206 -2.242 -3.652
149 H GLN 26 H GLN 26 2.947 -0.658 -3.338
150 HA GLN 26 HA GLN 26 3.562 -3.475 -3.722
151 HB2 GLN 26 HB2 GLN 26 5.423 -1.116 -3.423
152 HB3 GLN 26 HB3 GLN 26 5.907 -2.763 -3.792
153 HG2 GLN 26 HG2 GLN 26 4.614 -2.646 -5.886
154 HG3 GLN 26 HG3 GLN 26 4.214 -0.970 -5.518
155 HE21 GLN 26 HE21 GLN 26 5.228 -0.159 -7.312
156 HE22 GLN 26 HE22 GLN 26 6.944 -0.140 -7.478
157 H VAL 27 H VAL 27 4.141 -4.752 -2.121
158 HA VAL 27 HA VAL 27 3.832 -3.750 0.568
159 HB VAL 27 HB VAL 27 4.409 -6.572 -0.391
160 HG11 VAL 27 HG11 VAL 27 4.973 -6.200 1.959
161 HG12 VAL 27 HG12 VAL 27 3.598 -7.285 1.788
162 HG13 VAL 27 HG13 VAL 27 3.340 -5.603 2.257
163 HG21 VAL 27 HG21 VAL 27 1.763 -5.287 0.283
164 HG22 VAL 27 HG22 VAL 27 2.007 -6.995 -0.086
165 HG23 VAL 27 HG23 VAL 27 2.306 -5.772 -1.323
166 H LEU 28 H LEU 28 5.598 -2.674 1.241
167 HA LEU 28 HA LEU 28 8.284 -3.502 0.502
168 HB2 LEU 28 HB2 LEU 28 7.450 -1.392 2.494
169 HB3 LEU 28 HB3 LEU 28 9.042 -1.600 1.811
170 HG LEU 28 HG LEU 28 6.576 -0.625 0.382
171 HD11 LEU 28 HD11 LEU 28 7.653 0.974 1.873
172 HD12 LEU 28 HD12 LEU 28 7.816 1.442 0.182
173 HD13 LEU 28 HD13 LEU 28 9.182 0.716 1.038
174 HD21 LEU 28 HD21 LEU 28 8.035 -0.277 -1.543
175 HD22 LEU 28 HD22 LEU 28 7.891 -1.992 -1.144
176 HD23 LEU 28 HD23 LEU 28 9.351 -1.098 -0.699
177 H ASN 29 H ASN 29 6.250 -3.344 3.319
178 HA ASN 29 HA ASN 29 7.944 -5.271 4.732
179 HB2 ASN 29 HB2 ASN 29 6.491 -2.880 5.950
180 HB3 ASN 29 HB3 ASN 29 7.381 -4.106 6.834
181 HD21 ASN 29 HD21 ASN 29 7.606 -1.282 4.872
182 HD22 ASN 29 HD22 ASN 29 9.274 -0.973 5.118
183 HA PRO 30 HA PRO 30 4.109 -7.429 5.017
184 HB2 PRO 30 HB2 PRO 30 4.271 -7.545 7.979
185 HB3 PRO 30 HB3 PRO 30 4.157 -8.867 6.810
186 HG2 PRO 30 HG2 PRO 30 6.449 -8.352 8.068
187 HG3 PRO 30 HG3 PRO 30 6.432 -8.849 6.364
188 HD2 PRO 30 HD2 PRO 30 6.808 -6.136 7.553
189 HD3 PRO 30 HD3 PRO 30 7.631 -6.867 6.164
190 H TYR 31 H TYR 31 4.504 -4.869 7.392
191 HA TYR 31 HA TYR 31 1.589 -4.540 7.495
192 HB2 TYR 31 HB2 TYR 31 3.678 -3.138 9.167
193 HB3 TYR 31 HB3 TYR 31 1.948 -3.233 9.478
194 HD1 TYR 31 HD1 TYR 31 0.959 -5.362 10.282
195 HD2 TYR 31 HD2 TYR 31 5.147 -4.927 9.737
196 HE1 TYR 31 HE1 TYR 31 1.340 -7.393 11.611
197 HE2 TYR 31 HE2 TYR 31 5.536 -6.948 11.060
198 HH TYR 31 HH TYR 31 3.007 -9.069 11.905
199 H TYR 32 H TYR 32 4.513 -3.028 6.346
200 HA TYR 32 HA TYR 32 2.968 -0.656 5.645
201 HB2 TYR 32 HB2 TYR 32 5.150 -0.252 6.892
202 HB3 TYR 32 HB3 TYR 32 5.967 -0.942 5.509
203 HD1 TYR 32 HD1 TYR 32 3.785 1.855 6.518
204 HD2 TYR 32 HD2 TYR 32 6.449 0.323 3.591
205 HE1 TYR 32 HE1 TYR 32 3.765 4.026 5.375
206 HE2 TYR 32 HE2 TYR 32 6.444 2.493 2.443
207 HH TYR 32 HH TYR 32 5.146 5.285 3.875
208 H SER 33 H SER 33 2.113 -0.729 3.743
209 HA SER 33 HA SER 33 3.685 -1.748 1.498
210 HB2 SER 33 HB2 SER 33 0.681 -1.555 1.846
211 HB3 SER 33 HB3 SER 33 1.479 -2.179 0.412
212 HG SER 33 HG SER 33 0.731 -3.766 1.995
213 H GLN 34 H GLN 34 3.699 -0.315 -0.345
214 HA GLN 34 HA GLN 34 2.772 2.385 0.330
215 HB2 GLN 34 HB2 GLN 34 5.116 2.146 0.943
216 HB3 GLN 34 HB3 GLN 34 5.502 1.617 -0.681
217 HG2 GLN 34 HG2 GLN 34 4.950 3.788 -1.562
218 HG3 GLN 34 HG3 GLN 34 4.410 4.328 0.027
219 HE21 GLN 34 HE21 GLN 34 5.949 4.747 1.621
220 HE22 GLN 34 HE22 GLN 34 7.612 4.976 1.230
221 H CYS 35 H CYS 35 1.941 3.513 -1.297
222 HA CYS 35 HA CYS 35 1.493 2.276 -3.842
223 HB2 CYS 35 HB2 CYS 35 0.945 5.098 -2.918
224 HB3 CYS 35 HB3 CYS 35 0.418 4.428 -4.455
225 H LEU 36 H LEU 36 3.052 2.057 -5.203
226 HA LEU 36 HA LEU 36 4.798 4.317 -5.851
227 HB2 LEU 36 HB2 LEU 36 5.501 1.395 -5.679
228 HB3 LEU 36 HB3 LEU 36 6.558 2.652 -6.288
229 HG LEU 36 HG LEU 36 5.528 2.545 -3.460
230 HD11 LEU 36 HD11 LEU 36 7.725 1.746 -2.869
231 HD12 LEU 36 HD12 LEU 36 8.217 1.765 -4.561
232 HD13 LEU 36 HD13 LEU 36 6.979 0.629 -4.012
233 HD21 LEU 36 HD21 LEU 36 7.694 4.182 -4.774
234 HD22 LEU 36 HD22 LEU 36 7.280 4.191 -3.060
235 HD23 LEU 36 HD23 LEU 36 6.123 4.786 -4.243
236 H1 MAN 101 H1 MAN 101 -6.137 8.052 -4.958
237 H2 MAN 101 H2 MAN 101 -7.206 10.483 -3.536
238 H3 MAN 101 H3 MAN 101 -7.648 11.339 -5.619
239 H4 MAN 101 H4 MAN 101 -5.529 9.423 -6.668
240 H5 MAN 101 H5 MAN 101 -8.498 9.429 -7.364
241 H61 MAN 101 H61 MAN 101 -8.218 7.132 -7.727
242 H62 MAN 101 H62 MAN 101 -6.645 7.043 -6.925
243 HO2 MAN 101 HO2 MAN 101 -5.037 10.989 -3.786
244 HO3 MAN 101 HO3 MAN 101 -5.735 12.293 -6.413
245 HO4 MAN 101 HO4 MAN 101 -6.291 10.170 -8.668
246 HO6 MAN 101 HO6 MAN 101 -7.013 7.257 -9.451
Start of MODEL 6
1 H1 THR 1 H1 THR 1 -8.099 8.833 -2.164
2 H2 THR 1 H2 THR 1 -8.843 7.726 -1.135
3 H3 THR 1 H3 THR 1 -9.312 7.829 -2.752
4 HA THR 1 HA THR 1 -7.880 5.902 -2.405
5 HB THR 1 HB THR 1 -6.034 6.561 -3.977
6 HG21 THR 1 HG21 THR 1 -7.562 6.919 -5.905
7 HG22 THR 1 HG22 THR 1 -8.833 7.422 -4.804
8 HG23 THR 1 HG23 THR 1 -8.261 5.757 -4.779
9 H GLN 2 H GLN 2 -5.357 5.552 -2.406
10 HA GLN 2 HA GLN 2 -4.202 7.020 -0.163
11 HB2 GLN 2 HB2 GLN 2 -4.246 4.440 -0.251
12 HB3 GLN 2 HB3 GLN 2 -3.122 4.584 -1.590
13 HG2 GLN 2 HG2 GLN 2 -1.783 4.214 0.304
14 HG3 GLN 2 HG3 GLN 2 -1.637 5.921 -0.084
15 HE21 GLN 2 HE21 GLN 2 -4.397 4.439 1.539
16 HE22 GLN 2 HE22 GLN 2 -4.127 5.164 3.066
17 H SER 3 H SER 3 -2.357 8.275 -0.604
18 HA SER 3 HA SER 3 -1.945 8.913 -3.367
19 HB2 SER 3 HB2 SER 3 -0.767 10.069 -0.839
20 HB3 SER 3 HB3 SER 3 -0.549 10.740 -2.458
21 HG SER 3 HG SER 3 -2.239 11.800 -1.947
22 H HIS 4 H HIS 4 0.291 9.287 -4.105
23 HA HIS 4 HA HIS 4 1.888 6.990 -4.146
24 HB2 HIS 4 HB2 HIS 4 1.787 8.799 -5.880
25 HB3 HIS 4 HB3 HIS 4 2.636 9.859 -4.770
26 HD1 HIS 4 HD1 HIS 4 4.886 10.164 -5.747
27 HD2 HIS 4 HD2 HIS 4 3.641 6.210 -5.946
28 HE1 HIS 4 HE1 HIS 4 6.757 8.914 -6.845
29 HE2 HIS 4 HE2 HIS 4 5.827 6.646 -7.244
30 H TYR 5 H TYR 5 3.365 6.272 -2.737
31 HA TYR 5 HA TYR 5 4.777 6.055 -1.044
32 HB2 TYR 5 HB2 TYR 5 4.898 9.065 -0.996
33 HB3 TYR 5 HB3 TYR 5 5.745 8.065 0.182
34 HD1 TYR 5 HD1 TYR 5 5.763 9.442 -3.142
35 HD2 TYR 5 HD2 TYR 5 7.573 6.566 -0.613
36 HE1 TYR 5 HE1 TYR 5 7.682 9.317 -4.664
37 HE2 TYR 5 HE2 TYR 5 9.499 6.424 -2.123
38 HH TYR 5 HH TYR 5 10.050 8.699 -4.541
39 H GLY 6 H GLY 6 1.759 6.612 -0.761
40 HA2 GLY 6 HA2 GLY 6 1.734 6.932 2.140
41 HA3 GLY 6 HA3 GLY 6 0.324 6.849 1.084
42 H GLN 7 H GLN 7 0.812 5.301 3.498
43 HA GLN 7 HA GLN 7 1.510 2.633 2.755
44 HB2 GLN 7 HB2 GLN 7 1.730 3.502 5.093
45 HB3 GLN 7 HB3 GLN 7 -0.022 3.636 5.148
46 HG2 GLN 7 HG2 GLN 7 -0.272 1.251 5.039
47 HG3 GLN 7 HG3 GLN 7 1.468 1.042 4.820
48 HE21 GLN 7 HE21 GLN 7 -0.317 0.035 6.960
49 HE22 GLN 7 HE22 GLN 7 0.347 0.664 8.417
50 H CYS 8 H CYS 8 0.297 1.768 1.222
51 HA CYS 8 HA CYS 8 -2.421 2.350 0.734
52 HB2 CYS 8 HB2 CYS 8 -2.219 0.363 -0.835
53 HB3 CYS 8 HB3 CYS 8 -1.161 1.742 -1.123
54 H GLY 9 H GLY 9 -0.956 -0.670 1.822
55 HA2 GLY 9 HA2 GLY 9 -3.025 -1.213 3.638
56 HA3 GLY 9 HA3 GLY 9 -3.380 -1.994 2.107
57 H GLY 10 H GLY 10 -1.039 -1.710 4.639
58 HA2 GLY 10 HA2 GLY 10 0.052 -4.315 3.887
59 HA3 GLY 10 HA3 GLY 10 0.726 -3.231 5.112
60 H ILE 11 H ILE 11 0.445 -5.697 6.040
61 HA ILE 11 HA ILE 11 -2.065 -6.472 6.977
62 HB ILE 11 HB ILE 11 0.644 -6.923 8.294
63 HG12 ILE 11 HG12 ILE 11 -0.909 -8.687 6.380
64 HG13 ILE 11 HG13 ILE 11 0.502 -7.726 5.951
65 HG21 ILE 11 HG21 ILE 11 -0.408 -8.859 9.385
66 HG22 ILE 11 HG22 ILE 11 -1.959 -8.418 8.674
67 HG23 ILE 11 HG23 ILE 11 -1.194 -7.347 9.847
68 HD11 ILE 11 HD11 ILE 11 0.447 -10.013 7.908
69 HD12 ILE 11 HD12 ILE 11 1.868 -9.061 7.478
70 HD13 ILE 11 HD13 ILE 11 1.080 -10.066 6.263
71 H GLY 12 H GLY 12 -3.389 -5.237 8.132
72 HA2 GLY 12 HA2 GLY 12 -3.858 -4.458 10.393
73 HA3 GLY 12 HA3 GLY 12 -2.255 -3.740 10.399
74 H TYR 13 H TYR 13 -3.060 -3.002 7.422
75 HA TYR 13 HA TYR 13 -4.419 -0.525 8.249
76 HB2 TYR 13 HB2 TYR 13 -2.129 -0.347 7.176
77 HB3 TYR 13 HB3 TYR 13 -2.830 -1.012 5.708
78 HD1 TYR 13 HD1 TYR 13 -2.389 1.946 7.757
79 HD2 TYR 13 HD2 TYR 13 -4.534 0.363 4.446
80 HE1 TYR 13 HE1 TYR 13 -2.969 4.227 7.053
81 HE2 TYR 13 HE2 TYR 13 -5.128 2.644 3.733
82 HH TYR 13 HH TYR 13 -3.644 5.429 5.125
83 H SER 14 H SER 14 -6.522 -0.537 7.803
84 HA SER 14 HA SER 14 -7.466 -2.150 5.544
85 HB2 SER 14 HB2 SER 14 -9.549 -2.371 6.991
86 HB3 SER 14 HB3 SER 14 -8.109 -3.229 7.546
87 HG SER 14 HG SER 14 -8.271 -2.144 9.310
88 H GLY 15 H GLY 15 -6.745 0.770 5.827
89 HA2 GLY 15 HA2 GLY 15 -9.320 2.090 5.503
90 HA3 GLY 15 HA3 GLY 15 -7.744 2.865 5.547
91 HA PRO 16 HA PRO 16 -8.844 3.087 1.188
92 HB2 PRO 16 HB2 PRO 16 -7.131 5.142 0.595
93 HB3 PRO 16 HB3 PRO 16 -8.760 5.367 1.239
94 HG2 PRO 16 HG2 PRO 16 -6.140 5.479 2.644
95 HG3 PRO 16 HG3 PRO 16 -7.606 6.437 2.911
96 HD2 PRO 16 HD2 PRO 16 -6.830 4.333 4.484
97 HD3 PRO 16 HD3 PRO 16 -8.504 4.879 4.314
98 H THR 17 H THR 17 -7.938 1.124 0.644
99 HA THR 17 HA THR 17 -5.083 0.840 0.479
100 HB THR 17 HB THR 17 -5.671 -1.501 -0.300
101 HG1 THR 17 HG1 THR 17 -7.946 -1.992 0.332
102 HG21 THR 17 HG21 THR 17 -6.906 -0.620 2.316
103 HG22 THR 17 HG22 THR 17 -5.201 -0.969 2.069
104 HG23 THR 17 HG23 THR 17 -6.392 -2.261 1.913
105 H VAL 18 H VAL 18 -7.595 1.821 -1.543
106 HA VAL 18 HA VAL 18 -6.435 1.008 -4.037
107 HB VAL 18 HB VAL 18 -8.577 3.099 -3.500
108 HG11 VAL 18 HG11 VAL 18 -7.745 1.827 -6.113
109 HG12 VAL 18 HG12 VAL 18 -7.470 3.507 -5.649
110 HG13 VAL 18 HG13 VAL 18 -9.115 2.915 -5.894
111 HG21 VAL 18 HG21 VAL 18 -8.813 0.251 -4.463
112 HG22 VAL 18 HG22 VAL 18 -10.148 1.383 -4.249
113 HG23 VAL 18 HG23 VAL 18 -9.225 0.824 -2.852
114 H CYS 19 H CYS 19 -4.634 1.778 -4.736
115 HA CYS 19 HA CYS 19 -3.539 4.279 -3.879
116 HB2 CYS 19 HB2 CYS 19 -2.591 2.280 -5.933
117 HB3 CYS 19 HB3 CYS 19 -1.683 3.691 -5.411
118 H ALA 20 H ALA 20 -2.693 5.847 -5.447
119 HA ALA 20 HA ALA 20 -4.675 6.882 -7.149
120 HB1 ALA 20 HB1 ALA 20 -2.931 8.248 -6.048
121 HB2 ALA 20 HB2 ALA 20 -2.966 8.494 -7.796
122 HB3 ALA 20 HB3 ALA 20 -1.717 7.484 -7.073
123 H SER 21 H SER 21 -4.746 6.974 -9.409
124 HA SER 21 HA SER 21 -4.050 4.639 -10.751
125 HB2 SER 21 HB2 SER 21 -4.720 7.374 -11.862
126 HB3 SER 21 HB3 SER 21 -4.808 5.852 -12.754
127 HG SER 21 HG SER 21 -6.151 5.440 -10.571
128 H GLY 22 H GLY 22 -2.162 3.983 -11.531
129 HA2 GLY 22 HA2 GLY 22 -0.195 4.397 -12.845
130 HA3 GLY 22 HA3 GLY 22 -0.089 5.986 -12.091
131 H THR 23 H THR 23 -0.928 4.402 -9.521
132 HA THR 23 HA THR 23 1.805 3.489 -8.941
133 HB THR 23 HB THR 23 1.469 4.187 -6.593
134 HG1 THR 23 HG1 THR 23 -1.099 4.811 -7.563
135 HG21 THR 23 HG21 THR 23 2.495 5.772 -8.130
136 HG22 THR 23 HG22 THR 23 1.505 6.612 -6.930
137 HG23 THR 23 HG23 THR 23 0.900 6.381 -8.570
138 H THR 24 H THR 24 2.024 1.646 -7.625
139 HA THR 24 HA THR 24 -0.453 0.105 -7.336
140 HB THR 24 HB THR 24 1.092 -1.903 -7.473
141 HG1 THR 24 HG1 THR 24 2.962 0.119 -7.850
142 HG21 THR 24 HG21 THR 24 0.809 -0.162 -9.928
143 HG22 THR 24 HG22 THR 24 -0.403 -1.283 -9.306
144 HG23 THR 24 HG23 THR 24 1.124 -1.897 -9.933
145 H CYS 25 H CYS 25 -0.571 -1.265 -5.463
146 HA CYS 25 HA CYS 25 0.773 -0.122 -3.204
147 HB2 CYS 25 HB2 CYS 25 -1.589 -0.871 -3.042
148 HB3 CYS 25 HB3 CYS 25 -1.089 -2.515 -3.413
149 H GLN 26 H GLN 26 2.897 -0.588 -3.130
150 HA GLN 26 HA GLN 26 3.709 -3.288 -3.799
151 HB2 GLN 26 HB2 GLN 26 5.403 -0.819 -3.390
152 HB3 GLN 26 HB3 GLN 26 6.016 -2.403 -3.833
153 HG2 GLN 26 HG2 GLN 26 4.592 -2.284 -5.892
154 HG3 GLN 26 HG3 GLN 26 4.239 -0.612 -5.470
155 HE21 GLN 26 HE21 GLN 26 5.224 0.228 -7.297
156 HE22 GLN 26 HE22 GLN 26 6.928 0.216 -7.512
157 H VAL 27 H VAL 27 4.554 -4.622 -2.431
158 HA VAL 27 HA VAL 27 4.170 -4.055 0.370
159 HB VAL 27 HB VAL 27 5.128 -6.612 -0.952
160 HG11 VAL 27 HG11 VAL 27 4.026 -6.139 1.813
161 HG12 VAL 27 HG12 VAL 27 5.701 -6.506 1.408
162 HG13 VAL 27 HG13 VAL 27 4.442 -7.709 1.126
163 HG21 VAL 27 HG21 VAL 27 2.340 -5.829 -0.099
164 HG22 VAL 27 HG22 VAL 27 2.826 -7.414 -0.703
165 HG23 VAL 27 HG23 VAL 27 2.910 -6.005 -1.759
166 H LEU 28 H LEU 28 5.767 -2.761 1.076
167 HA LEU 28 HA LEU 28 8.537 -3.256 0.435
168 HB2 LEU 28 HB2 LEU 28 7.276 -1.403 2.461
169 HB3 LEU 28 HB3 LEU 28 8.976 -1.428 2.055
170 HG LEU 28 HG LEU 28 6.746 -0.688 0.148
171 HD11 LEU 28 HD11 LEU 28 7.659 1.576 0.350
172 HD12 LEU 28 HD12 LEU 28 8.762 1.008 1.609
173 HD13 LEU 28 HD13 LEU 28 7.013 0.959 1.867
174 HD21 LEU 28 HD21 LEU 28 8.679 -1.663 -0.991
175 HD22 LEU 28 HD22 LEU 28 9.732 -0.525 -0.131
176 HD23 LEU 28 HD23 LEU 28 8.550 0.075 -1.291
177 H ASN 29 H ASN 29 6.450 -3.479 3.251
178 HA ASN 29 HA ASN 29 8.212 -5.486 4.442
179 HB2 ASN 29 HB2 ASN 29 6.815 -3.219 5.931
180 HB3 ASN 29 HB3 ASN 29 7.795 -4.480 6.648
181 HD21 ASN 29 HD21 ASN 29 7.801 -1.464 4.967
182 HD22 ASN 29 HD22 ASN 29 9.480 -1.142 5.133
183 HA PRO 30 HA PRO 30 4.365 -7.672 4.948
184 HB2 PRO 30 HB2 PRO 30 4.655 -7.803 7.900
185 HB3 PRO 30 HB3 PRO 30 4.472 -9.116 6.734
186 HG2 PRO 30 HG2 PRO 30 6.831 -8.660 7.863
187 HG3 PRO 30 HG3 PRO 30 6.722 -9.092 6.146
188 HD2 PRO 30 HD2 PRO 30 7.155 -6.408 7.401
189 HD3 PRO 30 HD3 PRO 30 7.933 -7.121 5.969
190 H TYR 31 H TYR 31 4.720 -5.279 7.612
191 HA TYR 31 HA TYR 31 1.820 -4.948 7.562
192 HB2 TYR 31 HB2 TYR 31 3.859 -3.727 9.454
193 HB3 TYR 31 HB3 TYR 31 2.120 -3.565 9.580
194 HD1 TYR 31 HD1 TYR 31 4.935 -5.950 9.846
195 HD2 TYR 31 HD2 TYR 31 0.818 -5.249 10.628
196 HE1 TYR 31 HE1 TYR 31 4.870 -7.937 11.293
197 HE2 TYR 31 HE2 TYR 31 0.743 -7.225 12.067
198 HH TYR 31 HH TYR 31 3.521 -8.776 13.166
199 H TYR 32 H TYR 32 4.723 -3.364 6.587
200 HA TYR 32 HA TYR 32 3.204 -0.942 5.943
201 HB2 TYR 32 HB2 TYR 32 5.433 -0.760 7.185
202 HB3 TYR 32 HB3 TYR 32 6.173 -1.334 5.713
203 HD1 TYR 32 HD1 TYR 32 4.048 1.397 7.015
204 HD2 TYR 32 HD2 TYR 32 6.784 0.146 4.015
205 HE1 TYR 32 HE1 TYR 32 4.180 3.698 6.186
206 HE2 TYR 32 HE2 TYR 32 6.918 2.449 3.167
207 HH TYR 32 HH TYR 32 5.678 4.508 3.218
208 H SER 33 H SER 33 2.339 -0.952 3.988
209 HA SER 33 HA SER 33 3.999 -1.807 1.753
210 HB2 SER 33 HB2 SER 33 0.990 -2.166 2.048
211 HB3 SER 33 HB3 SER 33 1.953 -2.655 0.648
212 HG SER 33 HG SER 33 3.132 -3.716 2.731
213 H GLN 34 H GLN 34 3.663 -0.403 -0.156
214 HA GLN 34 HA GLN 34 2.429 2.146 0.597
215 HB2 GLN 34 HB2 GLN 34 4.708 2.200 1.410
216 HB3 GLN 34 HB3 GLN 34 5.307 1.747 -0.170
217 HG2 GLN 34 HG2 GLN 34 4.650 3.838 -1.087
218 HG3 GLN 34 HG3 GLN 34 3.828 4.287 0.409
219 HE21 GLN 34 HE21 GLN 34 6.879 3.906 -1.149
220 HE22 GLN 34 HE22 GLN 34 7.816 4.676 0.079
221 H CYS 35 H CYS 35 1.738 3.397 -1.095
222 HA CYS 35 HA CYS 35 1.406 2.135 -3.640
223 HB2 CYS 35 HB2 CYS 35 0.764 4.961 -2.787
224 HB3 CYS 35 HB3 CYS 35 0.276 4.230 -4.311
225 H LEU 36 H LEU 36 2.962 1.960 -4.997
226 HA LEU 36 HA LEU 36 4.593 4.263 -5.696
227 HB2 LEU 36 HB2 LEU 36 5.552 1.428 -5.271
228 HB3 LEU 36 HB3 LEU 36 6.509 2.715 -5.973
229 HG LEU 36 HG LEU 36 5.444 2.759 -3.148
230 HD11 LEU 36 HD11 LEU 36 8.184 2.037 -4.172
231 HD12 LEU 36 HD12 LEU 36 7.027 0.930 -3.432
232 HD13 LEU 36 HD13 LEU 36 7.732 2.231 -2.479
233 HD21 LEU 36 HD21 LEU 36 5.883 4.970 -4.090
234 HD22 LEU 36 HD22 LEU 36 7.493 4.450 -4.580
235 HD23 LEU 36 HD23 LEU 36 7.090 4.566 -2.869
236 H1 MAN 101 H1 MAN 101 -4.647 8.226 -4.556
237 H2 MAN 101 H2 MAN 101 -4.931 10.549 -3.571
238 H3 MAN 101 H3 MAN 101 -7.045 11.132 -4.589
239 H4 MAN 101 H4 MAN 101 -5.460 11.064 -7.189
240 H5 MAN 101 H5 MAN 101 -7.808 9.351 -6.243
241 H61 MAN 101 H61 MAN 101 -7.646 9.729 -8.720
242 H62 MAN 101 H62 MAN 101 -7.458 8.031 -8.246
243 HO2 MAN 101 HO2 MAN 101 -3.732 11.527 -5.246
244 HO3 MAN 101 HO3 MAN 101 -6.362 13.129 -5.454
245 HO4 MAN 101 HO4 MAN 101 -7.540 11.619 -8.065
246 HO6 MAN 101 HO6 MAN 101 -5.050 9.033 -8.109
Start of MODEL 7
1 H1 THR 1 H1 THR 1 -9.592 6.642 -3.465
2 H2 THR 1 H2 THR 1 -8.663 7.980 -3.027
3 H3 THR 1 H3 THR 1 -9.043 6.834 -1.871
4 HA THR 1 HA THR 1 -7.694 5.232 -3.081
5 HB THR 1 HB THR 1 -6.105 6.301 -4.788
6 HG21 THR 1 HG21 THR 1 -7.658 5.780 -6.634
7 HG22 THR 1 HG22 THR 1 -9.031 6.016 -5.563
8 HG23 THR 1 HG23 THR 1 -7.936 4.660 -5.303
9 H GLN 2 H GLN 2 -5.507 5.010 -2.550
10 HA GLN 2 HA GLN 2 -4.528 6.760 -0.486
11 HB2 GLN 2 HB2 GLN 2 -4.327 4.243 -0.450
12 HB3 GLN 2 HB3 GLN 2 -3.241 4.361 -1.821
13 HG2 GLN 2 HG2 GLN 2 -1.863 4.121 0.066
14 HG3 GLN 2 HG3 GLN 2 -1.772 5.815 -0.395
15 HE21 GLN 2 HE21 GLN 2 -4.402 4.245 1.345
16 HE22 GLN 2 HE22 GLN 2 -4.193 5.105 2.809
17 H SER 3 H SER 3 -2.663 8.058 -0.722
18 HA SER 3 HA SER 3 -2.137 8.922 -3.413
19 HB2 SER 3 HB2 SER 3 -1.136 9.960 -0.756
20 HB3 SER 3 HB3 SER 3 -0.939 10.765 -2.313
21 HG SER 3 HG SER 3 -3.000 11.244 -2.378
22 H HIS 4 H HIS 4 0.174 9.489 -3.962
23 HA HIS 4 HA HIS 4 1.749 7.153 -4.062
24 HB2 HIS 4 HB2 HIS 4 1.688 9.018 -5.784
25 HB3 HIS 4 HB3 HIS 4 2.602 10.002 -4.659
26 HD1 HIS 4 HD1 HIS 4 4.611 10.209 -6.271
27 HD2 HIS 4 HD2 HIS 4 3.659 6.279 -5.336
28 HE1 HIS 4 HE1 HIS 4 6.473 8.831 -7.195
29 HE2 HIS 4 HE2 HIS 4 5.653 6.484 -6.950
30 H TYR 5 H TYR 5 3.239 6.432 -2.748
31 HA TYR 5 HA TYR 5 4.703 6.154 -1.124
32 HB2 TYR 5 HB2 TYR 5 4.647 9.153 -0.670
33 HB3 TYR 5 HB3 TYR 5 5.717 8.038 0.160
34 HD1 TYR 5 HD1 TYR 5 7.282 6.623 -1.426
35 HD2 TYR 5 HD2 TYR 5 5.349 10.237 -2.532
36 HE1 TYR 5 HE1 TYR 5 8.965 6.981 -3.187
37 HE2 TYR 5 HE2 TYR 5 7.011 10.601 -4.295
38 HH TYR 5 HH TYR 5 9.134 8.192 -5.310
39 H GLY 6 H GLY 6 1.622 6.667 -0.778
40 HA2 GLY 6 HA2 GLY 6 1.565 6.932 2.111
41 HA3 GLY 6 HA3 GLY 6 0.176 6.772 1.038
42 H GLN 7 H GLN 7 0.539 5.280 3.420
43 HA GLN 7 HA GLN 7 1.445 2.646 2.668
44 HB2 GLN 7 HB2 GLN 7 1.631 3.551 5.036
45 HB3 GLN 7 HB3 GLN 7 -0.121 3.444 5.136
46 HG2 GLN 7 HG2 GLN 7 -0.022 1.034 4.827
47 HG3 GLN 7 HG3 GLN 7 1.730 1.110 4.678
48 HE21 GLN 7 HE21 GLN 7 0.192 -0.403 6.595
49 HE22 GLN 7 HE22 GLN 7 0.646 0.130 8.144
50 H CYS 8 H CYS 8 0.234 1.590 1.259
51 HA CYS 8 HA CYS 8 -2.492 2.235 0.823
52 HB2 CYS 8 HB2 CYS 8 -2.322 0.318 -0.854
53 HB3 CYS 8 HB3 CYS 8 -1.310 1.739 -1.108
54 H GLY 9 H GLY 9 -1.014 -0.861 1.817
55 HA2 GLY 9 HA2 GLY 9 -3.111 -1.330 3.639
56 HA3 GLY 9 HA3 GLY 9 -3.471 -2.135 2.129
57 H GLY 10 H GLY 10 -1.058 -1.816 4.617
58 HA2 GLY 10 HA2 GLY 10 -0.151 -4.535 4.034
59 HA3 GLY 10 HA3 GLY 10 0.674 -3.378 5.089
60 H ILE 11 H ILE 11 0.360 -5.684 6.291
61 HA ILE 11 HA ILE 11 -2.131 -6.167 7.497
62 HB ILE 11 HB ILE 11 0.611 -6.748 8.685
63 HG12 ILE 11 HG12 ILE 11 -1.124 -8.560 6.986
64 HG13 ILE 11 HG13 ILE 11 0.278 -7.685 6.377
65 HG21 ILE 11 HG21 ILE 11 -1.217 -6.941 10.306
66 HG22 ILE 11 HG22 ILE 11 -0.554 -8.529 9.920
67 HG23 ILE 11 HG23 ILE 11 -2.086 -8.018 9.208
68 HD11 ILE 11 HD11 ILE 11 0.311 -9.785 8.534
69 HD12 ILE 11 HD12 ILE 11 1.716 -8.931 7.897
70 HD13 ILE 11 HD13 ILE 11 0.795 -10.016 6.855
71 H GLY 12 H GLY 12 -3.218 -4.882 8.815
72 HA2 GLY 12 HA2 GLY 12 -3.317 -3.841 10.990
73 HA3 GLY 12 HA3 GLY 12 -1.708 -3.204 10.687
74 H TYR 13 H TYR 13 -2.968 -2.851 7.788
75 HA TYR 13 HA TYR 13 -4.072 -0.212 8.433
76 HB2 TYR 13 HB2 TYR 13 -1.925 -0.310 7.069
77 HB3 TYR 13 HB3 TYR 13 -2.866 -1.071 5.792
78 HD1 TYR 13 HD1 TYR 13 -2.187 2.025 7.599
79 HD2 TYR 13 HD2 TYR 13 -4.500 0.241 4.511
80 HE1 TYR 13 HE1 TYR 13 -2.819 4.253 6.804
81 HE2 TYR 13 HE2 TYR 13 -5.149 2.465 3.700
82 HH TYR 13 HH TYR 13 -3.540 5.265 4.777
83 H SER 14 H SER 14 -6.153 0.112 7.973
84 HA SER 14 HA SER 14 -7.490 -1.796 6.204
85 HB2 SER 14 HB2 SER 14 -9.440 -1.292 7.891
86 HB3 SER 14 HB3 SER 14 -8.213 -2.506 8.263
87 HG SER 14 HG SER 14 -7.650 -1.382 9.864
88 H GLY 15 H GLY 15 -6.503 1.140 6.063
89 HA2 GLY 15 HA2 GLY 15 -8.976 2.580 5.544
90 HA3 GLY 15 HA3 GLY 15 -7.346 3.226 5.430
91 HA PRO 16 HA PRO 16 -8.747 2.813 1.064
92 HB2 PRO 16 HB2 PRO 16 -7.006 4.738 0.135
93 HB3 PRO 16 HB3 PRO 16 -8.651 5.059 0.685
94 HG2 PRO 16 HG2 PRO 16 -6.067 5.459 2.104
95 HG3 PRO 16 HG3 PRO 16 -7.557 6.416 2.176
96 HD2 PRO 16 HD2 PRO 16 -6.785 4.679 4.113
97 HD3 PRO 16 HD3 PRO 16 -8.481 5.087 3.784
98 H THR 17 H THR 17 -7.921 0.886 0.523
99 HA THR 17 HA THR 17 -5.109 0.344 0.581
100 HB THR 17 HB THR 17 -6.007 -1.945 -0.154
101 HG1 THR 17 HG1 THR 17 -8.056 -2.034 -0.564
102 HG21 THR 17 HG21 THR 17 -5.394 -1.393 2.180
103 HG22 THR 17 HG22 THR 17 -6.819 -2.437 2.123
104 HG23 THR 17 HG23 THR 17 -6.999 -0.709 2.426
105 H VAL 18 H VAL 18 -7.268 1.530 -1.731
106 HA VAL 18 HA VAL 18 -5.743 0.449 -3.983
107 HB VAL 18 HB VAL 18 -8.298 2.098 -3.954
108 HG11 VAL 18 HG11 VAL 18 -8.427 1.661 -6.365
109 HG12 VAL 18 HG12 VAL 18 -6.862 0.853 -6.305
110 HG13 VAL 18 HG13 VAL 18 -6.974 2.578 -5.963
111 HG21 VAL 18 HG21 VAL 18 -7.825 -0.779 -4.682
112 HG22 VAL 18 HG22 VAL 18 -9.374 0.061 -4.712
113 HG23 VAL 18 HG23 VAL 18 -8.542 -0.213 -3.178
114 H CYS 19 H CYS 19 -4.228 1.601 -4.899
115 HA CYS 19 HA CYS 19 -3.554 4.189 -3.879
116 HB2 CYS 19 HB2 CYS 19 -2.274 2.514 -6.036
117 HB3 CYS 19 HB3 CYS 19 -1.574 3.940 -5.282
118 H ALA 20 H ALA 20 -2.747 5.823 -5.550
119 HA ALA 20 HA ALA 20 -4.945 6.685 -7.116
120 HB1 ALA 20 HB1 ALA 20 -3.505 8.561 -7.714
121 HB2 ALA 20 HB2 ALA 20 -2.103 7.705 -7.081
122 HB3 ALA 20 HB3 ALA 20 -3.370 8.238 -5.982
123 H SER 21 H SER 21 -4.737 7.251 -9.449
124 HA SER 21 HA SER 21 -4.045 4.950 -10.908
125 HB2 SER 21 HB2 SER 21 -4.651 7.740 -11.911
126 HB3 SER 21 HB3 SER 21 -4.724 6.254 -12.857
127 HG SER 21 HG SER 21 -6.207 5.864 -10.707
128 H GLY 22 H GLY 22 -2.026 4.386 -11.385
129 HA2 GLY 22 HA2 GLY 22 -0.056 4.888 -12.666
130 HA3 GLY 22 HA3 GLY 22 -0.106 6.518 -12.007
131 H THR 23 H THR 23 -0.948 4.426 -9.582
132 HA THR 23 HA THR 23 1.826 3.973 -8.784
133 HB THR 23 HB THR 23 1.241 4.590 -6.429
134 HG1 THR 23 HG1 THR 23 -1.232 4.982 -7.620
135 HG21 THR 23 HG21 THR 23 1.244 7.018 -6.723
136 HG22 THR 23 HG22 THR 23 0.792 6.816 -8.418
137 HG23 THR 23 HG23 THR 23 2.358 6.244 -7.851
138 H THR 24 H THR 24 2.150 2.090 -7.622
139 HA THR 24 HA THR 24 -0.208 0.352 -7.465
140 HB THR 24 HB THR 24 1.493 -1.528 -7.742
141 HG1 THR 24 HG1 THR 24 3.156 0.671 -7.914
142 HG21 THR 24 HG21 THR 24 -0.020 -0.881 -9.552
143 HG22 THR 24 HG22 THR 24 1.567 -1.295 -10.201
144 HG23 THR 24 HG23 THR 24 1.093 0.398 -10.040
145 H CYS 25 H CYS 25 -0.395 -1.009 -5.685
146 HA CYS 25 HA CYS 25 0.848 -0.017 -3.304
147 HB2 CYS 25 HB2 CYS 25 -1.522 -0.674 -3.277
148 HB3 CYS 25 HB3 CYS 25 -1.082 -2.316 -3.723
149 H GLN 26 H GLN 26 2.954 -0.513 -3.200
150 HA GLN 26 HA GLN 26 3.854 -3.198 -3.840
151 HB2 GLN 26 HB2 GLN 26 5.370 -0.682 -3.151
152 HB3 GLN 26 HB3 GLN 26 6.109 -2.218 -3.566
153 HG2 GLN 26 HG2 GLN 26 4.317 -0.637 -5.408
154 HG3 GLN 26 HG3 GLN 26 6.076 -0.569 -5.413
155 HE21 GLN 26 HE21 GLN 26 6.221 -1.290 -7.475
156 HE22 GLN 26 HE22 GLN 26 5.922 -2.918 -7.946
157 H VAL 27 H VAL 27 4.177 -4.635 -2.324
158 HA VAL 27 HA VAL 27 3.928 -3.884 0.449
159 HB VAL 27 HB VAL 27 4.352 -6.592 -0.858
160 HG11 VAL 27 HG11 VAL 27 3.703 -7.554 1.284
161 HG12 VAL 27 HG12 VAL 27 3.599 -5.942 1.990
162 HG13 VAL 27 HG13 VAL 27 5.157 -6.569 1.449
163 HG21 VAL 27 HG21 VAL 27 2.220 -5.601 -1.457
164 HG22 VAL 27 HG22 VAL 27 1.858 -5.309 0.243
165 HG23 VAL 27 HG23 VAL 27 1.977 -6.961 -0.360
166 H LEU 28 H LEU 28 5.654 -3.067 1.355
167 HA LEU 28 HA LEU 28 8.325 -3.798 0.445
168 HB2 LEU 28 HB2 LEU 28 7.439 -1.760 2.498
169 HB3 LEU 28 HB3 LEU 28 9.066 -1.941 1.868
170 HG LEU 28 HG LEU 28 6.658 -1.097 0.239
171 HD11 LEU 28 HD11 LEU 28 8.971 0.510 1.292
172 HD12 LEU 28 HD12 LEU 28 7.283 0.613 1.804
173 HD13 LEU 28 HD13 LEU 28 7.742 1.089 0.170
174 HD21 LEU 28 HD21 LEU 28 8.289 -0.537 -1.461
175 HD22 LEU 28 HD22 LEU 28 8.317 -2.271 -1.093
176 HD23 LEU 28 HD23 LEU 28 9.569 -1.194 -0.445
177 H ASN 29 H ASN 29 6.312 -3.834 3.299
178 HA ASN 29 HA ASN 29 7.934 -5.983 4.462
179 HB2 ASN 29 HB2 ASN 29 6.605 -3.700 5.976
180 HB3 ASN 29 HB3 ASN 29 7.430 -5.069 6.697
181 HD21 ASN 29 HD21 ASN 29 7.850 -2.284 7.046
182 HD22 ASN 29 HD22 ASN 29 9.464 -1.902 6.600
183 HA PRO 30 HA PRO 30 3.949 -7.944 4.737
184 HB2 PRO 30 HB2 PRO 30 4.250 -8.211 7.694
185 HB3 PRO 30 HB3 PRO 30 3.904 -9.458 6.493
186 HG2 PRO 30 HG2 PRO 30 6.316 -9.298 7.568
187 HG3 PRO 30 HG3 PRO 30 6.135 -9.620 5.832
188 HD2 PRO 30 HD2 PRO 30 6.853 -7.072 7.219
189 HD3 PRO 30 HD3 PRO 30 7.535 -7.753 5.732
190 H TYR 31 H TYR 31 4.605 -5.548 7.254
191 HA TYR 31 HA TYR 31 1.739 -4.990 7.503
192 HB2 TYR 31 HB2 TYR 31 4.065 -3.912 9.115
193 HB3 TYR 31 HB3 TYR 31 2.360 -3.686 9.472
194 HD1 TYR 31 HD1 TYR 31 1.144 -5.356 10.675
195 HD2 TYR 31 HD2 TYR 31 5.084 -6.183 9.320
196 HE1 TYR 31 HE1 TYR 31 1.185 -7.400 12.043
197 HE2 TYR 31 HE2 TYR 31 5.132 -8.223 10.678
198 HH TYR 31 HH TYR 31 2.353 -9.526 12.012
199 H TYR 32 H TYR 32 4.710 -3.624 6.247
200 HA TYR 32 HA TYR 32 3.290 -1.129 5.761
201 HB2 TYR 32 HB2 TYR 32 5.429 -0.907 6.956
202 HB3 TYR 32 HB3 TYR 32 6.264 -1.621 5.579
203 HD1 TYR 32 HD1 TYR 32 3.905 1.168 6.325
204 HD2 TYR 32 HD2 TYR 32 7.268 -0.150 4.069
205 HE1 TYR 32 HE1 TYR 32 4.142 3.412 5.378
206 HE2 TYR 32 HE2 TYR 32 7.507 2.092 3.114
207 HH TYR 32 HH TYR 32 6.269 4.070 2.754
208 H SER 33 H SER 33 2.367 -0.969 3.925
209 HA SER 33 HA SER 33 3.753 -1.895 1.522
210 HB2 SER 33 HB2 SER 33 0.754 -1.768 2.010
211 HB3 SER 33 HB3 SER 33 1.543 -2.356 0.547
212 HG SER 33 HG SER 33 0.920 -4.071 1.900
213 H GLN 34 H GLN 34 3.851 -0.315 -0.082
214 HA GLN 34 HA GLN 34 2.645 2.260 0.599
215 HB2 GLN 34 HB2 GLN 34 4.855 2.501 1.392
216 HB3 GLN 34 HB3 GLN 34 5.530 1.674 -0.001
217 HG2 GLN 34 HG2 GLN 34 5.067 3.553 -1.406
218 HG3 GLN 34 HG3 GLN 34 4.196 4.369 -0.103
219 HE21 GLN 34 HE21 GLN 34 5.360 5.469 1.452
220 HE22 GLN 34 HE22 GLN 34 7.056 5.686 1.354
221 H CYS 35 H CYS 35 1.873 3.420 -1.031
222 HA CYS 35 HA CYS 35 1.593 2.216 -3.598
223 HB2 CYS 35 HB2 CYS 35 0.885 4.992 -2.657
224 HB3 CYS 35 HB3 CYS 35 0.444 4.321 -4.221
225 H LEU 36 H LEU 36 3.235 2.064 -4.829
226 HA LEU 36 HA LEU 36 4.920 4.396 -5.288
227 HB2 LEU 36 HB2 LEU 36 5.585 1.461 -5.449
228 HB3 LEU 36 HB3 LEU 36 6.634 2.725 -6.058
229 HG LEU 36 HG LEU 36 5.819 2.413 -3.163
230 HD11 LEU 36 HD11 LEU 36 8.113 1.713 -2.796
231 HD12 LEU 36 HD12 LEU 36 8.430 1.786 -4.532
232 HD13 LEU 36 HD13 LEU 36 7.286 0.602 -3.888
233 HD21 LEU 36 HD21 LEU 36 7.801 4.255 -4.500
234 HD22 LEU 36 HD22 LEU 36 7.582 4.075 -2.763
235 HD23 LEU 36 HD23 LEU 36 6.276 4.729 -3.748
236 H1 MAN 101 H1 MAN 101 -5.541 8.217 -5.966
237 H2 MAN 101 H2 MAN 101 -6.518 10.465 -5.231
238 H3 MAN 101 H3 MAN 101 -8.810 10.219 -5.994
239 H4 MAN 101 H4 MAN 101 -7.544 10.065 -8.727
240 H5 MAN 101 H5 MAN 101 -9.036 7.985 -7.027
241 H61 MAN 101 H61 MAN 101 -8.547 6.384 -8.813
242 H62 MAN 101 H62 MAN 101 -7.869 7.660 -9.847
243 HO2 MAN 101 HO2 MAN 101 -5.850 11.460 -7.176
244 HO3 MAN 101 HO3 MAN 101 -7.814 12.338 -6.197
245 HO4 MAN 101 HO4 MAN 101 -9.487 11.195 -8.429
246 HO6 MAN 101 HO6 MAN 101 -10.111 8.651 -9.306
Start of MODEL 8
1 H1 THR 1 H1 THR 1 -8.656 7.353 -1.039
2 H2 THR 1 H2 THR 1 -9.257 7.469 -2.612
3 H3 THR 1 H3 THR 1 -8.090 8.562 -2.054
4 HA THR 1 HA THR 1 -7.645 5.687 -2.457
5 HB THR 1 HB THR 1 -5.968 6.540 -4.097
6 HG21 THR 1 HG21 THR 1 -7.621 7.021 -5.890
7 HG22 THR 1 HG22 THR 1 -8.844 7.345 -4.666
8 HG23 THR 1 HG23 THR 1 -8.185 5.722 -4.842
9 H GLN 2 H GLN 2 -5.099 5.500 -2.447
10 HA GLN 2 HA GLN 2 -4.081 7.161 -0.278
11 HB2 GLN 2 HB2 GLN 2 -4.051 4.632 0.017
12 HB3 GLN 2 HB3 GLN 2 -2.907 4.569 -1.321
13 HG2 GLN 2 HG2 GLN 2 -1.690 4.517 0.759
14 HG3 GLN 2 HG3 GLN 2 -1.392 6.041 -0.072
15 HE21 GLN 2 HE21 GLN 2 -4.305 5.243 1.724
16 HE22 GLN 2 HE22 GLN 2 -4.081 6.426 2.957
17 H SER 3 H SER 3 -2.191 8.322 -0.668
18 HA SER 3 HA SER 3 -1.760 8.985 -3.417
19 HB2 SER 3 HB2 SER 3 -0.345 9.977 -0.944
20 HB3 SER 3 HB3 SER 3 -0.354 10.741 -2.533
21 HG SER 3 HG SER 3 -2.874 10.279 -1.640
22 H HIS 4 H HIS 4 0.404 9.152 -4.315
23 HA HIS 4 HA HIS 4 1.980 6.807 -4.191
24 HB2 HIS 4 HB2 HIS 4 1.808 8.472 -6.109
25 HB3 HIS 4 HB3 HIS 4 2.788 9.566 -5.162
26 HD1 HIS 4 HD1 HIS 4 5.013 9.640 -6.220
27 HD2 HIS 4 HD2 HIS 4 3.471 5.797 -6.181
28 HE1 HIS 4 HE1 HIS 4 6.737 8.215 -7.359
29 HE2 HIS 4 HE2 HIS 4 5.662 5.964 -7.552
30 H TYR 5 H TYR 5 3.589 6.275 -2.812
31 HA TYR 5 HA TYR 5 5.050 6.278 -1.140
32 HB2 TYR 5 HB2 TYR 5 5.041 9.273 -1.439
33 HB3 TYR 5 HB3 TYR 5 5.892 8.492 -0.118
34 HD1 TYR 5 HD1 TYR 5 5.850 9.101 -3.706
35 HD2 TYR 5 HD2 TYR 5 7.844 7.137 -0.521
36 HE1 TYR 5 HE1 TYR 5 7.797 8.736 -5.156
37 HE2 TYR 5 HE2 TYR 5 9.795 6.762 -1.961
38 HH TYR 5 HH TYR 5 10.174 8.325 -4.923
39 H GLY 6 H GLY 6 2.039 6.778 -0.904
40 HA2 GLY 6 HA2 GLY 6 2.037 7.256 1.970
41 HA3 GLY 6 HA3 GLY 6 0.614 7.197 0.923
42 H GLN 7 H GLN 7 0.836 5.742 3.285
43 HA GLN 7 HA GLN 7 1.576 3.052 2.573
44 HB2 GLN 7 HB2 GLN 7 2.015 3.721 4.854
45 HB3 GLN 7 HB3 GLN 7 0.336 4.190 5.087
46 HG2 GLN 7 HG2 GLN 7 -0.363 1.872 4.913
47 HG3 GLN 7 HG3 GLN 7 1.296 1.378 4.588
48 HE21 GLN 7 HE21 GLN 7 -0.600 0.674 6.746
49 HE22 GLN 7 HE22 GLN 7 0.225 1.020 8.208
50 H CYS 8 H CYS 8 0.328 2.149 1.121
51 HA CYS 8 HA CYS 8 -2.444 2.578 0.805
52 HB2 CYS 8 HB2 CYS 8 -2.297 0.491 -0.642
53 HB3 CYS 8 HB3 CYS 8 -1.271 1.840 -1.109
54 H GLY 9 H GLY 9 -0.605 0.013 2.341
55 HA2 GLY 9 HA2 GLY 9 -1.998 -0.391 4.501
56 HA3 GLY 9 HA3 GLY 9 -3.125 -1.035 3.321
57 H GLY 10 H GLY 10 -0.626 -1.683 5.354
58 HA2 GLY 10 HA2 GLY 10 -0.036 -4.191 4.009
59 HA3 GLY 10 HA3 GLY 10 0.849 -3.525 5.382
60 H ILE 11 H ILE 11 0.444 -5.656 6.347
61 HA ILE 11 HA ILE 11 -2.125 -6.581 6.987
62 HB ILE 11 HB ILE 11 0.452 -6.966 8.555
63 HG12 ILE 11 HG12 ILE 11 -0.770 -8.720 6.402
64 HG13 ILE 11 HG13 ILE 11 0.595 -7.640 6.159
65 HG21 ILE 11 HG21 ILE 11 -1.521 -7.566 9.866
66 HG22 ILE 11 HG22 ILE 11 -0.624 -9.015 9.409
67 HG23 ILE 11 HG23 ILE 11 -2.104 -8.586 8.550
68 HD11 ILE 11 HD11 ILE 11 1.297 -9.955 6.431
69 HD12 ILE 11 HD12 ILE 11 0.530 -10.001 8.021
70 HD13 ILE 11 HD13 ILE 11 1.911 -8.944 7.740
71 H GLY 12 H GLY 12 -3.609 -5.604 8.196
72 HA2 GLY 12 HA2 GLY 12 -4.279 -4.921 10.423
73 HA3 GLY 12 HA3 GLY 12 -2.732 -4.101 10.576
74 H TYR 13 H TYR 13 -3.494 -3.381 7.570
75 HA TYR 13 HA TYR 13 -4.900 -0.898 8.329
76 HB2 TYR 13 HB2 TYR 13 -2.594 -0.805 7.287
77 HB3 TYR 13 HB3 TYR 13 -3.279 -1.544 5.856
78 HD1 TYR 13 HD1 TYR 13 -5.348 -0.147 4.815
79 HD2 TYR 13 HD2 TYR 13 -2.323 1.461 7.325
80 HE1 TYR 13 HE1 TYR 13 -5.756 2.086 3.873
81 HE2 TYR 13 HE2 TYR 13 -2.738 3.692 6.400
82 HH TYR 13 HH TYR 13 -3.633 4.534 4.168
83 H SER 14 H SER 14 -6.973 -0.633 7.503
84 HA SER 14 HA SER 14 -7.748 -2.424 5.311
85 HB2 SER 14 HB2 SER 14 -9.984 -2.598 6.519
86 HB3 SER 14 HB3 SER 14 -8.620 -3.481 7.212
87 HG SER 14 HG SER 14 -8.551 -2.182 8.847
88 H GLY 15 H GLY 15 -7.341 0.705 6.022
89 HA2 GLY 15 HA2 GLY 15 -9.862 1.805 5.175
90 HA3 GLY 15 HA3 GLY 15 -8.391 2.684 5.514
91 HA PRO 16 HA PRO 16 -8.700 3.228 1.031
92 HB2 PRO 16 HB2 PRO 16 -6.779 5.181 0.882
93 HB3 PRO 16 HB3 PRO 16 -8.473 5.497 1.263
94 HG2 PRO 16 HG2 PRO 16 -6.131 5.271 3.093
95 HG3 PRO 16 HG3 PRO 16 -7.517 6.372 3.174
96 HD2 PRO 16 HD2 PRO 16 -7.292 4.148 4.731
97 HD3 PRO 16 HD3 PRO 16 -8.853 4.811 4.212
98 H THR 17 H THR 17 -7.863 1.206 0.656
99 HA THR 17 HA THR 17 -4.991 0.780 0.660
100 HB THR 17 HB THR 17 -5.735 -1.586 0.003
101 HG1 THR 17 HG1 THR 17 -8.264 -0.759 0.950
102 HG21 THR 17 HG21 THR 17 -6.786 -0.450 2.607
103 HG22 THR 17 HG22 THR 17 -5.130 -0.984 2.323
104 HG23 THR 17 HG23 THR 17 -6.453 -2.151 2.287
105 H VAL 18 H VAL 18 -7.469 1.680 -1.434
106 HA VAL 18 HA VAL 18 -6.234 0.755 -3.857
107 HB VAL 18 HB VAL 18 -8.489 2.759 -3.468
108 HG11 VAL 18 HG11 VAL 18 -8.975 2.409 -5.854
109 HG12 VAL 18 HG12 VAL 18 -7.557 1.371 -5.992
110 HG13 VAL 18 HG13 VAL 18 -7.361 3.084 -5.626
111 HG21 VAL 18 HG21 VAL 18 -9.005 0.470 -2.695
112 HG22 VAL 18 HG22 VAL 18 -8.617 -0.142 -4.301
113 HG23 VAL 18 HG23 VAL 18 -9.978 0.953 -4.077
114 H CYS 19 H CYS 19 -4.527 1.631 -4.664
115 HA CYS 19 HA CYS 19 -3.510 4.147 -3.788
116 HB2 CYS 19 HB2 CYS 19 -2.538 2.189 -5.858
117 HB3 CYS 19 HB3 CYS 19 -1.675 3.656 -5.413
118 H ALA 20 H ALA 20 -2.540 5.601 -5.542
119 HA ALA 20 HA ALA 20 -4.655 6.775 -6.983
120 HB1 ALA 20 HB1 ALA 20 -2.812 8.049 -5.971
121 HB2 ALA 20 HB2 ALA 20 -2.962 8.352 -7.705
122 HB3 ALA 20 HB3 ALA 20 -1.691 7.289 -7.102
123 H SER 21 H SER 21 -4.614 7.227 -9.266
124 HA SER 21 HA SER 21 -4.384 4.864 -10.765
125 HB2 SER 21 HB2 SER 21 -4.755 7.724 -11.696
126 HB3 SER 21 HB3 SER 21 -5.137 6.269 -12.619
127 HG SER 21 HG SER 21 -6.280 6.120 -10.220
128 H GLY 22 H GLY 22 -2.546 4.016 -11.366
129 HA2 GLY 22 HA2 GLY 22 -0.692 4.125 -12.899
130 HA3 GLY 22 HA3 GLY 22 -0.430 5.777 -12.356
131 H THR 23 H THR 23 -1.158 4.294 -9.595
132 HA THR 23 HA THR 23 1.654 3.574 -9.089
133 HB THR 23 HB THR 23 1.332 4.307 -6.750
134 HG1 THR 23 HG1 THR 23 -1.298 4.641 -7.655
135 HG21 THR 23 HG21 THR 23 1.131 6.694 -7.116
136 HG22 THR 23 HG22 THR 23 0.483 6.407 -8.734
137 HG23 THR 23 HG23 THR 23 2.146 5.950 -8.351
138 H THR 24 H THR 24 2.038 1.757 -7.733
139 HA THR 24 HA THR 24 -0.338 0.082 -7.370
140 HB THR 24 HB THR 24 1.264 -1.876 -7.527
141 HG1 THR 24 HG1 THR 24 3.058 0.178 -7.817
142 HG21 THR 24 HG21 THR 24 -0.223 -1.296 -9.374
143 HG22 THR 24 HG22 THR 24 1.336 -1.851 -9.990
144 HG23 THR 24 HG23 THR 24 0.956 -0.129 -9.974
145 H CYS 25 H CYS 25 -0.516 -1.092 -5.476
146 HA CYS 25 HA CYS 25 0.854 0.006 -3.196
147 HB2 CYS 25 HB2 CYS 25 -1.539 -0.570 -3.033
148 HB3 CYS 25 HB3 CYS 25 -1.177 -2.240 -3.436
149 H GLN 26 H GLN 26 2.940 -0.589 -3.115
150 HA GLN 26 HA GLN 26 3.593 -3.366 -3.675
151 HB2 GLN 26 HB2 GLN 26 5.428 -0.990 -3.340
152 HB3 GLN 26 HB3 GLN 26 5.923 -2.616 -3.789
153 HG2 GLN 26 HG2 GLN 26 4.527 -2.426 -5.826
154 HG3 GLN 26 HG3 GLN 26 4.186 -0.755 -5.395
155 HE21 GLN 26 HE21 GLN 26 5.152 0.109 -7.172
156 HE22 GLN 26 HE22 GLN 26 6.849 0.078 -7.445
157 H VAL 27 H VAL 27 4.220 -4.692 -2.178
158 HA VAL 27 HA VAL 27 4.017 -3.825 0.561
159 HB VAL 27 HB VAL 27 4.447 -6.600 -0.593
160 HG11 VAL 27 HG11 VAL 27 3.670 -5.775 2.197
161 HG12 VAL 27 HG12 VAL 27 5.220 -6.453 1.701
162 HG13 VAL 27 HG13 VAL 27 3.756 -7.429 1.589
163 HG21 VAL 27 HG21 VAL 27 1.927 -5.261 0.370
164 HG22 VAL 27 HG22 VAL 27 2.064 -6.956 -0.095
165 HG23 VAL 27 HG23 VAL 27 2.314 -5.687 -1.297
166 H LEU 28 H LEU 28 5.853 -2.670 0.955
167 HA LEU 28 HA LEU 28 8.461 -3.577 0.241
168 HB2 LEU 28 HB2 LEU 28 7.701 -1.643 2.443
169 HB3 LEU 28 HB3 LEU 28 9.294 -1.830 1.747
170 HG LEU 28 HG LEU 28 6.857 -0.656 0.404
171 HD11 LEU 28 HD11 LEU 28 8.150 1.393 0.379
172 HD12 LEU 28 HD12 LEU 28 9.493 0.569 1.168
173 HD13 LEU 28 HD13 LEU 28 7.974 0.791 2.030
174 HD21 LEU 28 HD21 LEU 28 8.324 -0.181 -1.484
175 HD22 LEU 28 HD22 LEU 28 8.146 -1.920 -1.230
176 HD23 LEU 28 HD23 LEU 28 9.623 -1.095 -0.713
177 H ASN 29 H ASN 29 6.658 -3.411 3.255
178 HA ASN 29 HA ASN 29 8.149 -5.727 4.266
179 HB2 ASN 29 HB2 ASN 29 7.017 -3.433 5.946
180 HB3 ASN 29 HB3 ASN 29 7.928 -4.837 6.497
181 HD21 ASN 29 HD21 ASN 29 8.428 -1.943 6.848
182 HD22 ASN 29 HD22 ASN 29 10.008 -1.678 6.207
183 HA PRO 30 HA PRO 30 4.161 -7.650 4.625
184 HB2 PRO 30 HB2 PRO 30 4.599 -7.947 7.566
185 HB3 PRO 30 HB3 PRO 30 4.153 -9.172 6.372
186 HG2 PRO 30 HG2 PRO 30 6.633 -9.091 7.277
187 HG3 PRO 30 HG3 PRO 30 6.335 -9.344 5.550
188 HD2 PRO 30 HD2 PRO 30 7.175 -6.858 6.976
189 HD3 PRO 30 HD3 PRO 30 7.766 -7.489 5.434
190 H TYR 31 H TYR 31 4.803 -5.469 7.379
191 HA TYR 31 HA TYR 31 1.965 -4.852 7.468
192 HB2 TYR 31 HB2 TYR 31 4.213 -4.014 9.325
193 HB3 TYR 31 HB3 TYR 31 2.525 -3.583 9.542
194 HD1 TYR 31 HD1 TYR 31 4.923 -6.422 9.589
195 HD2 TYR 31 HD2 TYR 31 0.956 -5.146 10.468
196 HE1 TYR 31 HE1 TYR 31 4.539 -8.493 10.826
197 HE2 TYR 31 HE2 TYR 31 0.573 -7.228 11.714
198 HH TYR 31 HH TYR 31 3.041 -9.288 12.647
199 H TYR 32 H TYR 32 4.947 -3.433 6.340
200 HA TYR 32 HA TYR 32 3.465 -0.941 5.913
201 HB2 TYR 32 HB2 TYR 32 5.689 -0.677 7.043
202 HB3 TYR 32 HB3 TYR 32 6.452 -1.312 5.590
203 HD1 TYR 32 HD1 TYR 32 6.829 0.081 3.690
204 HD2 TYR 32 HD2 TYR 32 4.437 1.499 6.904
205 HE1 TYR 32 HE1 TYR 32 6.831 2.331 2.690
206 HE2 TYR 32 HE2 TYR 32 4.437 3.749 5.922
207 HH TYR 32 HH TYR 32 5.850 5.069 4.388
208 H SER 33 H SER 33 2.513 -0.758 4.058
209 HA SER 33 HA SER 33 3.877 -1.733 1.666
210 HB2 SER 33 HB2 SER 33 0.896 -1.705 2.215
211 HB3 SER 33 HB3 SER 33 1.678 -2.361 0.779
212 HG SER 33 HG SER 33 2.841 -3.509 2.825
213 H GLN 34 H GLN 34 3.793 -0.247 -0.080
214 HA GLN 34 HA GLN 34 2.714 2.396 0.617
215 HB2 GLN 34 HB2 GLN 34 5.087 2.300 1.215
216 HB3 GLN 34 HB3 GLN 34 5.484 1.774 -0.410
217 HG2 GLN 34 HG2 GLN 34 4.743 3.900 -1.293
218 HG3 GLN 34 HG3 GLN 34 4.290 4.434 0.327
219 HE21 GLN 34 HE21 GLN 34 5.943 4.913 1.807
220 HE22 GLN 34 HE22 GLN 34 7.549 5.199 1.279
221 H CYS 35 H CYS 35 1.947 3.580 -1.099
222 HA CYS 35 HA CYS 35 1.507 2.202 -3.581
223 HB2 CYS 35 HB2 CYS 35 0.854 5.034 -2.772
224 HB3 CYS 35 HB3 CYS 35 0.376 4.314 -4.300
225 H LEU 36 H LEU 36 3.069 1.974 -4.913
226 HA LEU 36 HA LEU 36 4.642 4.271 -5.704
227 HB2 LEU 36 HB2 LEU 36 5.580 1.437 -5.250
228 HB3 LEU 36 HB3 LEU 36 6.514 2.651 -6.096
229 HG LEU 36 HG LEU 36 5.646 2.896 -3.215
230 HD11 LEU 36 HD11 LEU 36 7.192 1.036 -3.488
231 HD12 LEU 36 HD12 LEU 36 7.967 2.391 -2.667
232 HD13 LEU 36 HD13 LEU 36 8.308 2.079 -4.369
233 HD21 LEU 36 HD21 LEU 36 7.296 4.703 -3.157
234 HD22 LEU 36 HD22 LEU 36 6.027 5.036 -4.333
235 HD23 LEU 36 HD23 LEU 36 7.609 4.480 -4.878
236 H1 MAN 101 H1 MAN 101 -4.607 8.268 -4.388
237 H2 MAN 101 H2 MAN 101 -5.093 10.617 -3.466
238 H3 MAN 101 H3 MAN 101 -6.955 11.272 -4.803
239 H4 MAN 101 H4 MAN 101 -5.072 10.895 -7.165
240 H5 MAN 101 H5 MAN 101 -7.582 9.362 -6.332
241 H61 MAN 101 H61 MAN 101 -7.295 9.543 -8.800
242 H62 MAN 101 H62 MAN 101 -7.116 7.882 -8.211
243 HO2 MAN 101 HO2 MAN 101 -3.542 11.510 -4.877
244 HO3 MAN 101 HO3 MAN 101 -5.275 12.874 -4.371
245 HO4 MAN 101 HO4 MAN 101 -6.529 12.625 -7.313
246 HO6 MAN 101 HO6 MAN 101 -4.721 9.218 -8.162
Start of MODEL 9
1 H1 THR 1 H1 THR 1 -9.522 7.230 -3.701
2 H2 THR 1 H2 THR 1 -8.506 8.502 -3.241
3 H3 THR 1 H3 THR 1 -8.923 7.347 -2.109
4 HA THR 1 HA THR 1 -7.675 5.717 -3.377
5 HB THR 1 HB THR 1 -6.167 6.653 -5.155
6 HG21 THR 1 HG21 THR 1 -7.920 6.606 -6.927
7 HG22 THR 1 HG22 THR 1 -9.154 6.871 -5.709
8 HG23 THR 1 HG23 THR 1 -8.231 5.363 -5.712
9 H GLN 2 H GLN 2 -5.551 5.382 -2.711
10 HA GLN 2 HA GLN 2 -4.531 7.305 -0.816
11 HB2 GLN 2 HB2 GLN 2 -4.625 4.883 -0.256
12 HB3 GLN 2 HB3 GLN 2 -3.514 4.549 -1.572
13 HG2 GLN 2 HG2 GLN 2 -2.406 4.541 0.619
14 HG3 GLN 2 HG3 GLN 2 -1.760 5.784 -0.452
15 HE21 GLN 2 HE21 GLN 2 -3.718 5.168 2.330
16 HE22 GLN 2 HE22 GLN 2 -3.680 6.776 2.977
17 H SER 3 H SER 3 -2.658 8.401 -1.043
18 HA SER 3 HA SER 3 -1.962 8.948 -3.749
19 HB2 SER 3 HB2 SER 3 -1.018 10.198 -1.167
20 HB3 SER 3 HB3 SER 3 -0.737 10.839 -2.789
21 HG SER 3 HG SER 3 -2.718 11.514 -2.888
22 H HIS 4 H HIS 4 0.280 9.287 -4.358
23 HA HIS 4 HA HIS 4 1.862 6.973 -4.190
24 HB2 HIS 4 HB2 HIS 4 1.766 8.735 -6.045
25 HB3 HIS 4 HB3 HIS 4 2.746 9.755 -5.010
26 HD1 HIS 4 HD1 HIS 4 4.839 9.817 -6.417
27 HD2 HIS 4 HD2 HIS 4 3.475 5.974 -5.758
28 HE1 HIS 4 HE1 HIS 4 6.604 8.319 -7.369
29 HE2 HIS 4 HE2 HIS 4 5.609 6.045 -7.242
30 H TYR 5 H TYR 5 3.389 6.415 -2.757
31 HA TYR 5 HA TYR 5 4.808 6.369 -1.051
32 HB2 TYR 5 HB2 TYR 5 4.735 9.388 -1.145
33 HB3 TYR 5 HB3 TYR 5 5.653 8.498 0.059
34 HD1 TYR 5 HD1 TYR 5 5.477 9.505 -3.436
35 HD2 TYR 5 HD2 TYR 5 7.599 7.183 -0.583
36 HE1 TYR 5 HE1 TYR 5 7.368 9.335 -4.989
37 HE2 TYR 5 HE2 TYR 5 9.486 6.994 -2.128
38 HH TYR 5 HH TYR 5 9.787 8.940 -4.849
39 H GLY 6 H GLY 6 1.775 6.832 -0.899
40 HA2 GLY 6 HA2 GLY 6 1.616 7.233 1.974
41 HA3 GLY 6 HA3 GLY 6 0.263 7.084 0.848
42 H GLN 7 H GLN 7 0.673 5.615 3.294
43 HA GLN 7 HA GLN 7 1.525 2.968 2.586
44 HB2 GLN 7 HB2 GLN 7 1.627 3.978 4.929
45 HB3 GLN 7 HB3 GLN 7 -0.122 3.827 4.976
46 HG2 GLN 7 HG2 GLN 7 0.066 1.404 4.770
47 HG3 GLN 7 HG3 GLN 7 1.819 1.537 4.682
48 HE21 GLN 7 HE21 GLN 7 0.247 0.068 6.612
49 HE22 GLN 7 HE22 GLN 7 0.600 0.715 8.154
50 H CYS 8 H CYS 8 0.321 1.632 1.422
51 HA CYS 8 HA CYS 8 -2.418 2.324 0.845
52 HB2 CYS 8 HB2 CYS 8 -2.266 0.405 -0.785
53 HB3 CYS 8 HB3 CYS 8 -1.162 1.744 -1.067
54 H GLY 9 H GLY 9 -0.838 -0.700 1.923
55 HA2 GLY 9 HA2 GLY 9 -2.726 -1.134 3.903
56 HA3 GLY 9 HA3 GLY 9 -3.328 -1.904 2.447
57 H GLY 10 H GLY 10 -0.956 -1.939 4.924
58 HA2 GLY 10 HA2 GLY 10 0.024 -4.532 3.997
59 HA3 GLY 10 HA3 GLY 10 0.766 -3.540 5.253
60 H ILE 11 H ILE 11 0.553 -5.797 6.328
61 HA ILE 11 HA ILE 11 -1.940 -6.745 7.196
62 HB ILE 11 HB ILE 11 0.706 -6.912 8.686
63 HG12 ILE 11 HG12 ILE 11 -0.527 -8.898 6.756
64 HG13 ILE 11 HG13 ILE 11 0.819 -7.832 6.381
65 HG21 ILE 11 HG21 ILE 11 -0.264 -8.896 9.771
66 HG22 ILE 11 HG22 ILE 11 -1.784 -8.606 8.928
67 HG23 ILE 11 HG23 ILE 11 -1.200 -7.440 10.115
68 HD11 ILE 11 HD11 ILE 11 1.584 -10.087 6.886
69 HD12 ILE 11 HD12 ILE 11 0.821 -9.998 8.472
70 HD13 ILE 11 HD13 ILE 11 2.173 -8.938 8.086
71 H GLY 12 H GLY 12 -3.400 -5.710 8.387
72 HA2 GLY 12 HA2 GLY 12 -4.035 -4.874 10.548
73 HA3 GLY 12 HA3 GLY 12 -2.468 -4.091 10.646
74 H TYR 13 H TYR 13 -3.168 -3.426 7.658
75 HA TYR 13 HA TYR 13 -4.175 -0.805 8.405
76 HB2 TYR 13 HB2 TYR 13 -2.187 -1.174 6.902
77 HB3 TYR 13 HB3 TYR 13 -3.307 -1.803 5.698
78 HD1 TYR 13 HD1 TYR 13 -1.677 1.029 7.010
79 HD2 TYR 13 HD2 TYR 13 -5.163 -0.131 4.894
80 HE1 TYR 13 HE1 TYR 13 -1.909 3.299 6.176
81 HE2 TYR 13 HE2 TYR 13 -5.406 2.172 4.046
82 HH TYR 13 HH TYR 13 -2.946 4.241 4.057
83 H SER 14 H SER 14 -6.307 -0.504 8.416
84 HA SER 14 HA SER 14 -7.972 -2.050 6.576
85 HB2 SER 14 HB2 SER 14 -9.726 -1.572 8.407
86 HB3 SER 14 HB3 SER 14 -8.468 -2.764 8.743
87 HG SER 14 HG SER 14 -8.209 -1.591 10.444
88 H GLY 15 H GLY 15 -6.655 0.721 6.386
89 HA2 GLY 15 HA2 GLY 15 -9.038 2.393 6.065
90 HA3 GLY 15 HA3 GLY 15 -7.373 2.955 6.048
91 HA PRO 16 HA PRO 16 -8.648 3.069 1.654
92 HB2 PRO 16 HB2 PRO 16 -6.934 5.052 0.925
93 HB3 PRO 16 HB3 PRO 16 -8.500 5.348 1.686
94 HG2 PRO 16 HG2 PRO 16 -5.776 5.379 2.886
95 HG3 PRO 16 HG3 PRO 16 -7.160 6.433 3.217
96 HD2 PRO 16 HD2 PRO 16 -6.405 4.335 4.815
97 HD3 PRO 16 HD3 PRO 16 -8.059 4.969 4.728
98 H THR 17 H THR 17 -7.907 1.272 0.746
99 HA THR 17 HA THR 17 -5.061 0.728 0.639
100 HB THR 17 HB THR 17 -5.916 -1.539 -0.084
101 HG1 THR 17 HG1 THR 17 -8.139 -1.884 0.462
102 HG21 THR 17 HG21 THR 17 -5.215 -1.028 2.240
103 HG22 THR 17 HG22 THR 17 -6.555 -2.175 2.199
104 HG23 THR 17 HG23 THR 17 -6.853 -0.487 2.600
105 H VAL 18 H VAL 18 -7.400 2.066 -1.384
106 HA VAL 18 HA VAL 18 -6.378 0.811 -3.805
107 HB VAL 18 HB VAL 18 -8.550 2.917 -3.540
108 HG11 VAL 18 HG11 VAL 18 -7.546 2.899 -5.760
109 HG12 VAL 18 HG12 VAL 18 -9.188 2.258 -5.817
110 HG13 VAL 18 HG13 VAL 18 -7.807 1.158 -5.876
111 HG21 VAL 18 HG21 VAL 18 -8.791 -0.068 -3.859
112 HG22 VAL 18 HG22 VAL 18 -10.131 1.079 -3.887
113 HG23 VAL 18 HG23 VAL 18 -9.186 0.860 -2.413
114 H CYS 19 H CYS 19 -4.555 1.607 -4.505
115 HA CYS 19 HA CYS 19 -3.595 4.209 -3.923
116 HB2 CYS 19 HB2 CYS 19 -2.594 2.122 -5.862
117 HB3 CYS 19 HB3 CYS 19 -1.725 3.584 -5.420
118 H ALA 20 H ALA 20 -2.783 5.682 -5.633
119 HA ALA 20 HA ALA 20 -4.912 6.499 -7.328
120 HB1 ALA 20 HB1 ALA 20 -3.447 8.368 -7.882
121 HB2 ALA 20 HB2 ALA 20 -2.096 7.551 -7.098
122 HB3 ALA 20 HB3 ALA 20 -3.477 8.090 -6.140
123 H SER 21 H SER 21 -4.220 7.279 -9.657
124 HA SER 21 HA SER 21 -3.767 4.972 -11.151
125 HB2 SER 21 HB2 SER 21 -3.725 6.966 -12.934
126 HB3 SER 21 HB3 SER 21 -5.218 6.389 -12.186
127 HG SER 21 HG SER 21 -5.450 8.206 -11.300
128 H GLY 22 H GLY 22 -1.935 4.200 -11.968
129 HA2 GLY 22 HA2 GLY 22 0.191 4.319 -12.925
130 HA3 GLY 22 HA3 GLY 22 0.381 5.938 -12.267
131 H THR 23 H THR 23 -0.731 4.611 -9.675
132 HA THR 23 HA THR 23 1.927 3.761 -8.779
133 HB THR 23 HB THR 23 1.247 4.382 -6.505
134 HG1 THR 23 HG1 THR 23 -1.282 4.548 -7.704
135 HG21 THR 23 HG21 THR 23 2.149 6.154 -7.895
136 HG22 THR 23 HG22 THR 23 0.916 6.789 -6.803
137 HG23 THR 23 HG23 THR 23 0.535 6.519 -8.503
138 H THR 24 H THR 24 2.082 1.940 -7.329
139 HA THR 24 HA THR 24 -0.261 0.190 -7.359
140 HB THR 24 HB THR 24 1.373 -1.719 -7.503
141 HG1 THR 24 HG1 THR 24 3.149 0.399 -7.643
142 HG21 THR 24 HG21 THR 24 1.616 -1.582 -9.946
143 HG22 THR 24 HG22 THR 24 1.233 0.140 -9.878
144 HG23 THR 24 HG23 THR 24 0.020 -1.053 -9.417
145 H CYS 25 H CYS 25 -0.495 -1.110 -5.522
146 HA CYS 25 HA CYS 25 0.737 -0.085 -3.148
147 HB2 CYS 25 HB2 CYS 25 -1.636 -0.807 -3.140
148 HB3 CYS 25 HB3 CYS 25 -1.142 -2.447 -3.539
149 H GLN 26 H GLN 26 2.870 -0.550 -3.103
150 HA GLN 26 HA GLN 26 3.707 -3.264 -3.694
151 HB2 GLN 26 HB2 GLN 26 5.328 -0.758 -3.261
152 HB3 GLN 26 HB3 GLN 26 6.016 -2.342 -3.595
153 HG2 GLN 26 HG2 GLN 26 4.817 -2.387 -5.745
154 HG3 GLN 26 HG3 GLN 26 4.209 -0.766 -5.415
155 HE21 GLN 26 HE21 GLN 26 5.183 0.110 -7.198
156 HE22 GLN 26 HE22 GLN 26 6.879 0.346 -7.323
157 H VAL 27 H VAL 27 4.328 -4.638 -2.252
158 HA VAL 27 HA VAL 27 3.985 -3.961 0.523
159 HB VAL 27 HB VAL 27 4.727 -6.614 -0.765
160 HG11 VAL 27 HG11 VAL 27 5.302 -6.546 1.597
161 HG12 VAL 27 HG12 VAL 27 3.949 -7.638 1.313
162 HG13 VAL 27 HG13 VAL 27 3.660 -6.038 1.994
163 HG21 VAL 27 HG21 VAL 27 2.360 -7.223 -0.503
164 HG22 VAL 27 HG22 VAL 27 2.570 -5.848 -1.586
165 HG23 VAL 27 HG23 VAL 27 2.013 -5.592 0.068
166 H LEU 28 H LEU 28 5.702 -2.695 1.062
167 HA LEU 28 HA LEU 28 8.408 -3.346 0.364
168 HB2 LEU 28 HB2 LEU 28 7.336 -1.416 2.421
169 HB3 LEU 28 HB3 LEU 28 9.002 -1.490 1.882
170 HG LEU 28 HG LEU 28 6.641 -0.726 0.151
171 HD11 LEU 28 HD11 LEU 28 7.644 1.508 0.195
172 HD12 LEU 28 HD12 LEU 28 8.822 0.935 1.383
173 HD13 LEU 28 HD13 LEU 28 7.097 0.948 1.773
174 HD21 LEU 28 HD21 LEU 28 9.589 -0.691 -0.402
175 HD22 LEU 28 HD22 LEU 28 8.333 -0.014 -1.434
176 HD23 LEU 28 HD23 LEU 28 8.400 -1.765 -1.167
177 H ASN 29 H ASN 29 6.378 -3.597 3.186
178 HA ASN 29 HA ASN 29 8.069 -5.720 4.249
179 HB2 ASN 29 HB2 ASN 29 6.877 -3.431 5.884
180 HB3 ASN 29 HB3 ASN 29 7.580 -4.889 6.557
181 HD21 ASN 29 HD21 ASN 29 8.202 -1.788 5.188
182 HD22 ASN 29 HD22 ASN 29 9.896 -1.805 5.449
183 HA PRO 30 HA PRO 30 4.162 -7.800 4.563
184 HB2 PRO 30 HB2 PRO 30 4.589 -8.094 7.508
185 HB3 PRO 30 HB3 PRO 30 4.174 -9.328 6.312
186 HG2 PRO 30 HG2 PRO 30 6.644 -9.220 7.203
187 HG3 PRO 30 HG3 PRO 30 6.355 -9.403 5.464
188 HD2 PRO 30 HD2 PRO 30 7.077 -6.937 6.998
189 HD3 PRO 30 HD3 PRO 30 7.763 -7.516 5.467
190 H TYR 31 H TYR 31 4.767 -5.556 7.225
191 HA TYR 31 HA TYR 31 1.903 -5.012 7.444
192 HB2 TYR 31 HB2 TYR 31 4.240 -4.019 9.073
193 HB3 TYR 31 HB3 TYR 31 2.554 -3.643 9.412
194 HD1 TYR 31 HD1 TYR 31 1.212 -5.184 10.638
195 HD2 TYR 31 HD2 TYR 31 5.065 -6.359 9.298
196 HE1 TYR 31 HE1 TYR 31 1.086 -7.191 12.041
197 HE2 TYR 31 HE2 TYR 31 4.945 -8.370 10.700
198 HH TYR 31 HH TYR 31 3.806 -9.146 12.662
199 H TYR 32 H TYR 32 4.829 -3.563 6.174
200 HA TYR 32 HA TYR 32 3.331 -1.087 5.803
201 HB2 TYR 32 HB2 TYR 32 5.662 -0.916 6.860
202 HB3 TYR 32 HB3 TYR 32 6.267 -1.412 5.293
203 HD1 TYR 32 HD1 TYR 32 6.744 0.174 3.668
204 HD2 TYR 32 HD2 TYR 32 4.043 1.157 6.782
205 HE1 TYR 32 HE1 TYR 32 6.632 2.480 2.828
206 HE2 TYR 32 HE2 TYR 32 3.923 3.464 5.964
207 HH TYR 32 HH TYR 32 5.357 4.967 4.685
208 H SER 33 H SER 33 2.348 -0.939 3.980
209 HA SER 33 HA SER 33 3.752 -1.793 1.571
210 HB2 SER 33 HB2 SER 33 0.768 -1.868 2.113
211 HB3 SER 33 HB3 SER 33 1.561 -2.422 0.639
212 HG SER 33 HG SER 33 2.767 -3.670 2.598
213 H GLN 34 H GLN 34 3.679 -0.235 -0.100
214 HA GLN 34 HA GLN 34 2.465 2.333 0.662
215 HB2 GLN 34 HB2 GLN 34 4.828 2.326 1.323
216 HB3 GLN 34 HB3 GLN 34 5.290 1.883 -0.310
217 HG2 GLN 34 HG2 GLN 34 4.505 4.013 -1.133
218 HG3 GLN 34 HG3 GLN 34 3.944 4.456 0.480
219 HE21 GLN 34 HE21 GLN 34 5.492 4.972 2.060
220 HE22 GLN 34 HE22 GLN 34 7.113 5.342 1.641
221 H CYS 35 H CYS 35 1.677 3.538 -1.016
222 HA CYS 35 HA CYS 35 1.321 2.261 -3.549
223 HB2 CYS 35 HB2 CYS 35 0.616 5.060 -2.649
224 HB3 CYS 35 HB3 CYS 35 0.158 4.367 -4.196
225 H LEU 36 H LEU 36 3.002 2.070 -4.747
226 HA LEU 36 HA LEU 36 4.561 4.432 -5.422
227 HB2 LEU 36 HB2 LEU 36 5.503 1.600 -5.022
228 HB3 LEU 36 HB3 LEU 36 6.457 2.837 -5.813
229 HG LEU 36 HG LEU 36 5.492 3.001 -2.959
230 HD11 LEU 36 HD11 LEU 36 7.808 2.560 -2.358
231 HD12 LEU 36 HD12 LEU 36 8.213 2.330 -4.062
232 HD13 LEU 36 HD13 LEU 36 7.122 1.202 -3.253
233 HD21 LEU 36 HD21 LEU 36 5.824 5.184 -3.987
234 HD22 LEU 36 HD22 LEU 36 7.421 4.695 -4.548
235 HD23 LEU 36 HD23 LEU 36 7.105 4.854 -2.823
236 H1 MAN 101 H1 MAN 101 -5.946 8.331 -6.847
237 H2 MAN 101 H2 MAN 101 -6.709 10.947 -5.625
238 H3 MAN 101 H3 MAN 101 -7.320 11.660 -7.760
239 H4 MAN 101 H4 MAN 101 -5.420 9.525 -8.821
240 H5 MAN 101 H5 MAN 101 -8.461 9.535 -9.206
241 H61 MAN 101 H61 MAN 101 -8.154 7.108 -9.069
242 H62 MAN 101 H62 MAN 101 -6.415 7.287 -8.780
243 HO2 MAN 101 HO2 MAN 101 -4.468 11.226 -6.021
244 HO3 MAN 101 HO3 MAN 101 -4.467 11.426 -7.923
245 HO4 MAN 101 HO4 MAN 101 -5.689 11.406 -10.099
246 HO6 MAN 101 HO6 MAN 101 -7.760 7.243 -11.093
Start of MODEL 10
1 H1 THR 1 H1 THR 1 -9.529 6.582 -2.730
2 H2 THR 1 H2 THR 1 -8.536 7.899 -2.424
3 H3 THR 1 H3 THR 1 -8.744 6.752 -1.234
4 HA THR 1 HA THR 1 -7.578 5.147 -2.605
5 HB THR 1 HB THR 1 -6.309 6.180 -4.592
6 HG21 THR 1 HG21 THR 1 -8.306 5.821 -6.107
7 HG22 THR 1 HG22 THR 1 -9.323 5.806 -4.668
8 HG23 THR 1 HG23 THR 1 -8.108 4.557 -4.895
9 H GLN 2 H GLN 2 -5.271 4.991 -2.359
10 HA GLN 2 HA GLN 2 -4.293 6.989 -0.511
11 HB2 GLN 2 HB2 GLN 2 -4.041 4.594 0.047
12 HB3 GLN 2 HB3 GLN 2 -3.044 4.372 -1.382
13 HG2 GLN 2 HG2 GLN 2 -1.702 4.532 0.658
14 HG3 GLN 2 HG3 GLN 2 -1.351 5.843 -0.466
15 HE21 GLN 2 HE21 GLN 2 -2.703 4.987 2.575
16 HE22 GLN 2 HE22 GLN 2 -2.881 6.588 3.192
17 H SER 3 H SER 3 -2.401 8.126 -0.792
18 HA SER 3 HA SER 3 -1.945 8.909 -3.528
19 HB2 SER 3 HB2 SER 3 -0.800 10.004 -0.967
20 HB3 SER 3 HB3 SER 3 -0.890 10.817 -2.538
21 HG SER 3 HG SER 3 -3.294 10.030 -2.018
22 H HIS 4 H HIS 4 0.350 9.401 -4.134
23 HA HIS 4 HA HIS 4 1.951 7.073 -4.111
24 HB2 HIS 4 HB2 HIS 4 1.804 8.902 -5.884
25 HB3 HIS 4 HB3 HIS 4 2.810 9.888 -4.838
26 HD1 HIS 4 HD1 HIS 4 4.754 10.017 -6.471
27 HD2 HIS 4 HD2 HIS 4 3.643 6.130 -5.595
28 HE1 HIS 4 HE1 HIS 4 6.512 8.576 -7.518
29 HE2 HIS 4 HE2 HIS 4 5.564 6.302 -7.346
30 H TYR 5 H TYR 5 3.493 6.457 -2.726
31 HA TYR 5 HA TYR 5 4.932 6.329 -1.040
32 HB2 TYR 5 HB2 TYR 5 4.878 9.361 -0.954
33 HB3 TYR 5 HB3 TYR 5 5.905 8.374 0.076
34 HD1 TYR 5 HD1 TYR 5 7.707 6.991 -0.965
35 HD2 TYR 5 HD2 TYR 5 5.483 9.831 -3.205
36 HE1 TYR 5 HE1 TYR 5 9.436 6.962 -2.709
37 HE2 TYR 5 HE2 TYR 5 7.202 9.805 -4.954
38 HH TYR 5 HH TYR 5 9.641 7.430 -5.027
39 H GLY 6 H GLY 6 1.896 6.805 -0.814
40 HA2 GLY 6 HA2 GLY 6 1.803 7.149 2.069
41 HA3 GLY 6 HA3 GLY 6 0.415 7.057 0.980
42 H GLN 7 H GLN 7 0.741 5.507 3.373
43 HA GLN 7 HA GLN 7 1.534 2.862 2.561
44 HB2 GLN 7 HB2 GLN 7 1.745 3.714 4.931
45 HB3 GLN 7 HB3 GLN 7 -0.010 3.706 5.019
46 HG2 GLN 7 HG2 GLN 7 -0.049 1.301 4.723
47 HG3 GLN 7 HG3 GLN 7 1.703 1.277 4.545
48 HE21 GLN 7 HE21 GLN 7 0.086 -0.121 6.526
49 HE22 GLN 7 HE22 GLN 7 0.639 0.452 8.044
50 H CYS 8 H CYS 8 0.317 1.826 1.175
51 HA CYS 8 HA CYS 8 -2.416 2.447 0.717
52 HB2 CYS 8 HB2 CYS 8 -2.257 0.352 -0.770
53 HB3 CYS 8 HB3 CYS 8 -1.282 1.755 -1.192
54 H GLY 9 H GLY 9 -0.946 -0.624 1.739
55 HA2 GLY 9 HA2 GLY 9 -2.657 -0.950 3.880
56 HA3 GLY 9 HA3 GLY 9 -3.465 -1.616 2.467
57 H GLY 10 H GLY 10 -0.925 -1.966 4.720
58 HA2 GLY 10 HA2 GLY 10 -0.296 -4.577 3.589
59 HA3 GLY 10 HA3 GLY 10 0.630 -3.752 4.848
60 H ILE 11 H ILE 11 0.317 -5.857 5.991
61 HA ILE 11 HA ILE 11 -2.211 -6.753 6.813
62 HB ILE 11 HB ILE 11 0.440 -7.009 8.279
63 HG12 ILE 11 HG12 ILE 11 -0.927 -8.943 6.390
64 HG13 ILE 11 HG13 ILE 11 0.440 -7.919 5.963
65 HG21 ILE 11 HG21 ILE 11 -0.582 -8.950 9.399
66 HG22 ILE 11 HG22 ILE 11 -2.110 -8.609 8.590
67 HG23 ILE 11 HG23 ILE 11 -1.459 -7.461 9.758
68 HD11 ILE 11 HD11 ILE 11 1.826 -9.088 7.582
69 HD12 ILE 11 HD12 ILE 11 1.107 -10.226 6.437
70 HD13 ILE 11 HD13 ILE 11 0.447 -10.068 8.064
71 H GLY 12 H GLY 12 -3.658 -5.815 8.093
72 HA2 GLY 12 HA2 GLY 12 -4.349 -4.965 10.185
73 HA3 GLY 12 HA3 GLY 12 -2.727 -4.347 10.438
74 H TYR 13 H TYR 13 -3.353 -3.383 7.402
75 HA TYR 13 HA TYR 13 -4.342 -0.804 8.400
76 HB2 TYR 13 HB2 TYR 13 -2.143 -0.923 7.135
77 HB3 TYR 13 HB3 TYR 13 -3.068 -1.414 5.723
78 HD1 TYR 13 HD1 TYR 13 -2.015 1.343 7.820
79 HD2 TYR 13 HD2 TYR 13 -4.647 0.238 4.675
80 HE1 TYR 13 HE1 TYR 13 -2.356 3.717 7.279
81 HE2 TYR 13 HE2 TYR 13 -4.991 2.606 4.126
82 HH TYR 13 HH TYR 13 -3.056 5.068 5.290
83 H SER 14 H SER 14 -6.357 -0.088 7.773
84 HA SER 14 HA SER 14 -7.701 -1.687 5.722
85 HB2 SER 14 HB2 SER 14 -9.738 -1.505 7.292
86 HB3 SER 14 HB3 SER 14 -8.478 -2.678 7.673
87 HG SER 14 HG SER 14 -9.226 -0.363 8.978
88 H GLY 15 H GLY 15 -6.633 1.214 6.092
89 HA2 GLY 15 HA2 GLY 15 -9.011 2.813 5.623
90 HA3 GLY 15 HA3 GLY 15 -7.353 3.374 5.651
91 HA PRO 16 HA PRO 16 -8.270 3.568 1.222
92 HB2 PRO 16 HB2 PRO 16 -6.197 5.225 0.580
93 HB3 PRO 16 HB3 PRO 16 -7.744 5.806 1.202
94 HG2 PRO 16 HG2 PRO 16 -5.168 5.381 2.654
95 HG3 PRO 16 HG3 PRO 16 -6.338 6.699 2.820
96 HD2 PRO 16 HD2 PRO 16 -6.197 4.618 4.570
97 HD3 PRO 16 HD3 PRO 16 -7.707 5.474 4.211
98 H THR 17 H THR 17 -7.726 1.387 0.928
99 HA THR 17 HA THR 17 -4.971 0.618 0.847
100 HB THR 17 HB THR 17 -5.987 -1.667 0.327
101 HG1 THR 17 HG1 THR 17 -8.316 -1.429 1.271
102 HG21 THR 17 HG21 THR 17 -5.292 -0.939 2.604
103 HG22 THR 17 HG22 THR 17 -6.675 -2.026 2.635
104 HG23 THR 17 HG23 THR 17 -6.911 -0.292 2.858
105 H VAL 18 H VAL 18 -7.273 1.661 -1.438
106 HA VAL 18 HA VAL 18 -5.822 0.415 -3.639
107 HB VAL 18 HB VAL 18 -8.262 2.227 -3.730
108 HG11 VAL 18 HG11 VAL 18 -6.995 2.323 -5.807
109 HG12 VAL 18 HG12 VAL 18 -8.510 1.449 -6.053
110 HG13 VAL 18 HG13 VAL 18 -6.994 0.563 -5.906
111 HG21 VAL 18 HG21 VAL 18 -8.068 -0.775 -3.989
112 HG22 VAL 18 HG22 VAL 18 -9.533 0.179 -4.215
113 HG23 VAL 18 HG23 VAL 18 -8.762 0.109 -2.630
114 H CYS 19 H CYS 19 -4.234 1.428 -4.590
115 HA CYS 19 HA CYS 19 -3.450 4.048 -3.804
116 HB2 CYS 19 HB2 CYS 19 -2.362 2.198 -5.915
117 HB3 CYS 19 HB3 CYS 19 -1.590 3.688 -5.380
118 H ALA 20 H ALA 20 -3.061 5.830 -5.213
119 HA ALA 20 HA ALA 20 -5.180 6.459 -6.946
120 HB1 ALA 20 HB1 ALA 20 -2.468 7.774 -6.740
121 HB2 ALA 20 HB2 ALA 20 -3.855 8.149 -5.724
122 HB3 ALA 20 HB3 ALA 20 -3.917 8.483 -7.457
123 H SER 21 H SER 21 -5.134 6.850 -9.202
124 HA SER 21 HA SER 21 -4.391 4.799 -10.790
125 HB2 SER 21 HB2 SER 21 -4.653 7.683 -11.618
126 HB3 SER 21 HB3 SER 21 -4.991 6.245 -12.587
127 HG SER 21 HG SER 21 -6.669 5.734 -11.219
128 H GLY 22 H GLY 22 -2.476 4.076 -11.383
129 HA2 GLY 22 HA2 GLY 22 -0.534 4.417 -12.752
130 HA3 GLY 22 HA3 GLY 22 -0.363 6.005 -12.018
131 H THR 23 H THR 23 -1.117 4.431 -9.408
132 HA THR 23 HA THR 23 1.660 3.611 -8.954
133 HB THR 23 HB THR 23 1.372 4.265 -6.565
134 HG1 THR 23 HG1 THR 23 -1.205 5.019 -7.498
135 HG21 THR 23 HG21 THR 23 1.392 6.696 -6.910
136 HG22 THR 23 HG22 THR 23 0.743 6.465 -8.534
137 HG23 THR 23 HG23 THR 23 2.351 5.860 -8.133
138 H THR 24 H THR 24 2.088 1.760 -7.689
139 HA THR 24 HA THR 24 -0.239 0.004 -7.420
140 HB THR 24 HB THR 24 1.437 -1.882 -7.587
141 HG1 THR 24 HG1 THR 24 3.215 0.238 -7.700
142 HG21 THR 24 HG21 THR 24 1.257 -0.033 -9.974
143 HG22 THR 24 HG22 THR 24 0.074 -1.259 -9.519
144 HG23 THR 24 HG23 THR 24 1.688 -1.742 -10.039
145 H CYS 25 H CYS 25 -0.342 -1.349 -5.530
146 HA CYS 25 HA CYS 25 0.884 -0.108 -3.241
147 HB2 CYS 25 HB2 CYS 25 -1.480 -0.913 -3.133
148 HB3 CYS 25 HB3 CYS 25 -0.923 -2.556 -3.432
149 H GLN 26 H GLN 26 3.010 -0.519 -3.085
150 HA GLN 26 HA GLN 26 3.926 -3.193 -3.735
151 HB2 GLN 26 HB2 GLN 26 5.541 -0.692 -3.224
152 HB3 GLN 26 HB3 GLN 26 6.199 -2.251 -3.699
153 HG2 GLN 26 HG2 GLN 26 4.759 -2.083 -5.769
154 HG3 GLN 26 HG3 GLN 26 4.443 -0.420 -5.303
155 HE21 GLN 26 HE21 GLN 26 5.431 0.412 -7.107
156 HE22 GLN 26 HE22 GLN 26 7.136 0.366 -7.356
157 H VAL 27 H VAL 27 4.534 -4.573 -2.335
158 HA VAL 27 HA VAL 27 4.194 -3.971 0.461
159 HB VAL 27 HB VAL 27 4.976 -6.581 -0.873
160 HG11 VAL 27 HG11 VAL 27 4.182 -7.638 1.197
161 HG12 VAL 27 HG12 VAL 27 3.885 -6.043 1.887
162 HG13 VAL 27 HG13 VAL 27 5.529 -6.539 1.498
163 HG21 VAL 27 HG21 VAL 27 2.825 -5.809 -1.702
164 HG22 VAL 27 HG22 VAL 27 2.245 -5.602 -0.050
165 HG23 VAL 27 HG23 VAL 27 2.613 -7.214 -0.659
166 H LEU 28 H LEU 28 5.869 -2.802 1.172
167 HA LEU 28 HA LEU 28 8.609 -3.499 0.515
168 HB2 LEU 28 HB2 LEU 28 7.600 -1.528 2.578
169 HB3 LEU 28 HB3 LEU 28 9.234 -1.644 1.968
170 HG LEU 28 HG LEU 28 6.811 -0.688 0.436
171 HD11 LEU 28 HD11 LEU 28 7.683 0.858 2.102
172 HD12 LEU 28 HD12 LEU 28 7.927 1.452 0.458
173 HD13 LEU 28 HD13 LEU 28 9.278 0.763 1.359
174 HD21 LEU 28 HD21 LEU 28 9.683 -0.922 -0.438
175 HD22 LEU 28 HD22 LEU 28 8.387 -0.122 -1.329
176 HD23 LEU 28 HD23 LEU 28 8.320 -1.868 -1.056
177 H ASN 29 H ASN 29 6.405 -3.557 3.233
178 HA ASN 29 HA ASN 29 8.030 -5.566 4.590
179 HB2 ASN 29 HB2 ASN 29 6.641 -3.194 5.927
180 HB3 ASN 29 HB3 ASN 29 7.533 -4.479 6.724
181 HD21 ASN 29 HD21 ASN 29 7.922 -1.526 6.727
182 HD22 ASN 29 HD22 ASN 29 9.532 -1.281 6.205
183 HA PRO 30 HA PRO 30 4.116 -7.670 4.836
184 HB2 PRO 30 HB2 PRO 30 4.312 -7.819 7.805
185 HB3 PRO 30 HB3 PRO 30 4.102 -9.123 6.629
186 HG2 PRO 30 HG2 PRO 30 6.454 -8.759 7.801
187 HG3 PRO 30 HG3 PRO 30 6.365 -9.164 6.078
188 HD2 PRO 30 HD2 PRO 30 6.859 -6.518 7.383
189 HD3 PRO 30 HD3 PRO 30 7.650 -7.223 5.962
190 H TYR 31 H TYR 31 4.437 -5.260 7.463
191 HA TYR 31 HA TYR 31 1.547 -4.828 7.313
192 HB2 TYR 31 HB2 TYR 31 3.593 -3.706 9.265
193 HB3 TYR 31 HB3 TYR 31 1.872 -3.392 9.309
194 HD1 TYR 31 HD1 TYR 31 0.574 -4.658 10.734
195 HD2 TYR 31 HD2 TYR 31 4.228 -6.318 9.342
196 HE1 TYR 31 HE1 TYR 31 0.228 -6.607 12.173
197 HE2 TYR 31 HE2 TYR 31 3.883 -8.286 10.778
198 HH TYR 31 HH TYR 31 2.671 -8.813 12.842
199 H TYR 32 H TYR 32 4.553 -3.352 6.393
200 HA TYR 32 HA TYR 32 3.082 -0.914 5.733
201 HB2 TYR 32 HB2 TYR 32 5.174 -0.618 7.083
202 HB3 TYR 32 HB3 TYR 32 6.093 -1.262 5.729
203 HD1 TYR 32 HD1 TYR 32 4.027 1.564 6.860
204 HD2 TYR 32 HD2 TYR 32 6.605 0.113 3.813
205 HE1 TYR 32 HE1 TYR 32 4.159 3.830 5.908
206 HE2 TYR 32 HE2 TYR 32 6.744 2.380 2.847
207 HH TYR 32 HH TYR 32 5.640 5.144 4.504
208 H SER 33 H SER 33 2.303 -0.854 3.819
209 HA SER 33 HA SER 33 3.925 -1.759 1.566
210 HB2 SER 33 HB2 SER 33 0.898 -1.833 1.859
211 HB3 SER 33 HB3 SER 33 1.798 -2.385 0.451
212 HG SER 33 HG SER 33 2.806 -3.617 2.577
213 H GLN 34 H GLN 34 3.970 -0.209 -0.135
214 HA GLN 34 HA GLN 34 2.773 2.374 0.605
215 HB2 GLN 34 HB2 GLN 34 5.172 2.262 1.192
216 HB3 GLN 34 HB3 GLN 34 5.552 1.895 -0.481
217 HG2 GLN 34 HG2 GLN 34 4.715 4.064 -1.161
218 HG3 GLN 34 HG3 GLN 34 4.292 4.441 0.510
219 HE21 GLN 34 HE21 GLN 34 5.986 4.844 1.993
220 HE22 GLN 34 HE22 GLN 34 7.567 5.221 1.436
221 H CYS 35 H CYS 35 1.916 3.550 -1.038
222 HA CYS 35 HA CYS 35 1.518 2.274 -3.561
223 HB2 CYS 35 HB2 CYS 35 0.805 5.060 -2.645
224 HB3 CYS 35 HB3 CYS 35 0.366 4.382 -4.208
225 H LEU 36 H LEU 36 3.068 2.086 -4.883
226 HA LEU 36 HA LEU 36 4.595 4.415 -5.693
227 HB2 LEU 36 HB2 LEU 36 5.640 1.627 -5.191
228 HB3 LEU 36 HB3 LEU 36 6.531 2.887 -6.013
229 HG LEU 36 HG LEU 36 5.613 3.062 -3.146
230 HD11 LEU 36 HD11 LEU 36 7.948 2.673 -2.583
231 HD12 LEU 36 HD12 LEU 36 8.329 2.409 -4.285
232 HD13 LEU 36 HD13 LEU 36 7.260 1.288 -3.434
233 HD21 LEU 36 HD21 LEU 36 7.483 4.757 -4.795
234 HD22 LEU 36 HD22 LEU 36 7.195 4.941 -3.067
235 HD23 LEU 36 HD23 LEU 36 5.887 5.230 -4.211
236 H1 MAN 101 H1 MAN 101 -6.046 8.091 -6.032
237 H2 MAN 101 H2 MAN 101 -6.681 10.319 -5.056
238 H3 MAN 101 H3 MAN 101 -9.082 10.043 -4.898
239 H4 MAN 101 H4 MAN 101 -8.988 9.987 -7.946
240 H5 MAN 101 H5 MAN 101 -9.729 7.769 -5.991
241 H61 MAN 101 H61 MAN 101 -10.996 7.695 -8.103
242 H62 MAN 101 H62 MAN 101 -9.826 6.359 -7.989
243 HO2 MAN 101 HO2 MAN 101 -6.759 11.340 -7.051
244 HO3 MAN 101 HO3 MAN 101 -9.637 11.991 -6.055
245 HO4 MAN 101 HO4 MAN 101 -11.158 9.719 -6.075
246 HO6 MAN 101 HO6 MAN 101 -8.358 7.905 -9.168
Start of MODEL 11
1 H1 THR 1 H1 THR 1 -8.324 8.237 -2.312
2 H2 THR 1 H2 THR 1 -8.579 7.487 -0.841
3 H3 THR 1 H3 THR 1 -9.513 7.039 -2.195
4 HA THR 1 HA THR 1 -7.798 5.423 -1.760
5 HB THR 1 HB THR 1 -6.584 5.656 -3.973
6 HG21 THR 1 HG21 THR 1 -8.677 5.298 -5.299
7 HG22 THR 1 HG22 THR 1 -9.611 5.978 -4.001
8 HG23 THR 1 HG23 THR 1 -8.755 4.446 -3.751
9 H GLN 2 H GLN 2 -5.333 5.089 -2.052
10 HA GLN 2 HA GLN 2 -4.150 7.009 -0.246
11 HB2 GLN 2 HB2 GLN 2 -4.006 4.567 0.191
12 HB3 GLN 2 HB3 GLN 2 -3.026 4.399 -1.256
13 HG2 GLN 2 HG2 GLN 2 -1.667 4.439 0.777
14 HG3 GLN 2 HG3 GLN 2 -1.299 5.795 -0.287
15 HE21 GLN 2 HE21 GLN 2 -2.735 4.826 2.686
16 HE22 GLN 2 HE22 GLN 2 -2.888 6.397 3.380
17 H SER 3 H SER 3 -2.346 8.129 -0.629
18 HA SER 3 HA SER 3 -1.910 8.883 -3.367
19 HB2 SER 3 HB2 SER 3 -0.689 9.924 -0.804
20 HB3 SER 3 HB3 SER 3 -0.616 10.699 -2.388
21 HG SER 3 HG SER 3 -2.882 10.253 -0.760
22 H HIS 4 H HIS 4 0.314 9.207 -4.115
23 HA HIS 4 HA HIS 4 1.877 6.846 -4.065
24 HB2 HIS 4 HB2 HIS 4 1.733 8.542 -5.936
25 HB3 HIS 4 HB3 HIS 4 2.684 9.631 -4.949
26 HD1 HIS 4 HD1 HIS 4 4.946 9.739 -5.938
27 HD2 HIS 4 HD2 HIS 4 3.401 5.903 -6.082
28 HE1 HIS 4 HE1 HIS 4 6.724 8.345 -7.016
29 HE2 HIS 4 HE2 HIS 4 5.543 6.202 -7.476
30 H TYR 5 H TYR 5 3.535 6.300 -2.771
31 HA TYR 5 HA TYR 5 5.065 6.260 -1.145
32 HB2 TYR 5 HB2 TYR 5 4.832 9.282 -1.001
33 HB3 TYR 5 HB3 TYR 5 5.951 8.332 -0.047
34 HD1 TYR 5 HD1 TYR 5 5.667 10.311 -2.871
35 HD2 TYR 5 HD2 TYR 5 7.444 6.682 -1.568
36 HE1 TYR 5 HE1 TYR 5 7.327 10.489 -4.666
37 HE2 TYR 5 HE2 TYR 5 9.116 6.855 -3.365
38 HH TYR 5 HH TYR 5 9.659 9.645 -5.082
39 H GLY 6 H GLY 6 1.990 6.597 -0.772
40 HA2 GLY 6 HA2 GLY 6 2.063 6.902 2.140
41 HA3 GLY 6 HA3 GLY 6 0.617 6.947 1.134
42 H GLN 7 H GLN 7 0.760 5.317 3.372
43 HA GLN 7 HA GLN 7 1.482 2.640 2.578
44 HB2 GLN 7 HB2 GLN 7 1.675 3.553 4.954
45 HB3 GLN 7 HB3 GLN 7 -0.083 3.507 5.000
46 HG2 GLN 7 HG2 GLN 7 -0.079 1.103 4.752
47 HG3 GLN 7 HG3 GLN 7 1.676 1.098 4.591
48 HE21 GLN 7 HE21 GLN 7 0.084 -0.282 6.607
49 HE22 GLN 7 HE22 GLN 7 0.579 0.380 8.117
50 H CYS 8 H CYS 8 0.224 1.649 1.189
51 HA CYS 8 HA CYS 8 -2.458 2.397 0.656
52 HB2 CYS 8 HB2 CYS 8 -2.314 0.271 -0.806
53 HB3 CYS 8 HB3 CYS 8 -1.292 1.654 -1.203
54 H GLY 9 H GLY 9 -1.196 -0.750 1.665
55 HA2 GLY 9 HA2 GLY 9 -3.139 -1.100 3.665
56 HA3 GLY 9 HA3 GLY 9 -3.723 -1.789 2.155
57 H GLY 10 H GLY 10 -1.183 -1.895 4.514
58 HA2 GLY 10 HA2 GLY 10 -0.458 -4.557 3.592
59 HA3 GLY 10 HA3 GLY 10 0.397 -3.620 4.823
60 H ILE 11 H ILE 11 0.130 -5.766 5.982
61 HA ILE 11 HA ILE 11 -2.384 -6.681 6.848
62 HB ILE 11 HB ILE 11 0.262 -6.898 8.329
63 HG12 ILE 11 HG12 ILE 11 -0.962 -8.825 6.335
64 HG13 ILE 11 HG13 ILE 11 0.357 -7.715 5.979
65 HG21 ILE 11 HG21 ILE 11 -2.244 -8.586 8.489
66 HG22 ILE 11 HG22 ILE 11 -1.661 -7.469 9.723
67 HG23 ILE 11 HG23 ILE 11 -0.732 -8.920 9.338
68 HD11 ILE 11 HD11 ILE 11 1.750 -8.856 7.623
69 HD12 ILE 11 HD12 ILE 11 1.179 -9.952 6.368
70 HD13 ILE 11 HD13 ILE 11 0.425 -9.968 7.967
71 H GLY 12 H GLY 12 -3.800 -5.764 8.244
72 HA2 GLY 12 HA2 GLY 12 -4.373 -4.764 10.302
73 HA3 GLY 12 HA3 GLY 12 -2.760 -4.080 10.387
74 H TYR 13 H TYR 13 -3.215 -3.244 7.438
75 HA TYR 13 HA TYR 13 -4.525 -0.759 8.246
76 HB2 TYR 13 HB2 TYR 13 -2.143 -0.688 7.363
77 HB3 TYR 13 HB3 TYR 13 -2.780 -1.195 5.805
78 HD1 TYR 13 HD1 TYR 13 -4.398 0.354 4.605
79 HD2 TYR 13 HD2 TYR 13 -2.215 1.576 8.040
80 HE1 TYR 13 HE1 TYR 13 -4.830 2.683 4.030
81 HE2 TYR 13 HE2 TYR 13 -2.641 3.931 7.480
82 HH TYR 13 HH TYR 13 -3.172 5.262 5.497
83 H SER 14 H SER 14 -6.555 -0.552 7.625
84 HA SER 14 HA SER 14 -7.430 -1.782 5.108
85 HB2 SER 14 HB2 SER 14 -9.623 -2.126 6.297
86 HB3 SER 14 HB3 SER 14 -8.295 -3.130 6.884
87 HG SER 14 HG SER 14 -9.369 -0.776 8.046
88 H GLY 15 H GLY 15 -6.544 0.982 5.925
89 HA2 GLY 15 HA2 GLY 15 -8.855 2.686 5.730
90 HA3 GLY 15 HA3 GLY 15 -7.175 3.176 5.602
91 HA PRO 16 HA PRO 16 -8.540 3.514 1.283
92 HB2 PRO 16 HB2 PRO 16 -6.614 5.277 0.506
93 HB3 PRO 16 HB3 PRO 16 -8.104 5.789 1.306
94 HG2 PRO 16 HG2 PRO 16 -5.372 5.400 2.453
95 HG3 PRO 16 HG3 PRO 16 -6.558 6.676 2.787
96 HD2 PRO 16 HD2 PRO 16 -6.164 4.527 4.438
97 HD3 PRO 16 HD3 PRO 16 -7.712 5.382 4.295
98 H THR 17 H THR 17 -7.910 1.351 0.936
99 HA THR 17 HA THR 17 -5.166 0.609 0.842
100 HB THR 17 HB THR 17 -6.187 -1.618 0.207
101 HG1 THR 17 HG1 THR 17 -8.566 -1.528 0.812
102 HG21 THR 17 HG21 THR 17 -7.041 -2.005 2.485
103 HG22 THR 17 HG22 THR 17 -7.194 -0.263 2.720
104 HG23 THR 17 HG23 THR 17 -5.602 -0.980 2.540
105 H VAL 18 H VAL 18 -7.509 1.589 -1.463
106 HA VAL 18 HA VAL 18 -5.922 0.573 -3.675
107 HB VAL 18 HB VAL 18 -8.443 2.288 -3.705
108 HG11 VAL 18 HG11 VAL 18 -8.597 1.722 -6.092
109 HG12 VAL 18 HG12 VAL 18 -7.058 0.868 -5.991
110 HG13 VAL 18 HG13 VAL 18 -7.115 2.614 -5.747
111 HG21 VAL 18 HG21 VAL 18 -9.574 0.221 -4.404
112 HG22 VAL 18 HG22 VAL 18 -8.838 0.064 -2.807
113 HG23 VAL 18 HG23 VAL 18 -8.061 -0.663 -4.211
114 H CYS 19 H CYS 19 -4.606 1.808 -4.943
115 HA CYS 19 HA CYS 19 -3.701 4.246 -3.673
116 HB2 CYS 19 HB2 CYS 19 -2.502 2.564 -5.879
117 HB3 CYS 19 HB3 CYS 19 -1.750 3.971 -5.145
118 H ALA 20 H ALA 20 -2.567 5.692 -5.536
119 HA ALA 20 HA ALA 20 -4.676 6.979 -6.945
120 HB1 ALA 20 HB1 ALA 20 -1.688 7.432 -6.976
121 HB2 ALA 20 HB2 ALA 20 -2.840 8.224 -5.900
122 HB3 ALA 20 HB3 ALA 20 -2.904 8.524 -7.640
123 H SER 21 H SER 21 -4.515 7.446 -9.236
124 HA SER 21 HA SER 21 -4.313 5.116 -10.808
125 HB2 SER 21 HB2 SER 21 -5.805 7.028 -11.360
126 HB3 SER 21 HB3 SER 21 -4.387 8.012 -11.729
127 HG SER 21 HG SER 21 -5.439 7.061 -13.548
128 H GLY 22 H GLY 22 -2.526 4.143 -11.424
129 HA2 GLY 22 HA2 GLY 22 -0.570 4.121 -12.791
130 HA3 GLY 22 HA3 GLY 22 -0.235 5.763 -12.266
131 H THR 23 H THR 23 -1.181 4.346 -9.519
132 HA THR 23 HA THR 23 1.576 3.542 -8.909
133 HB THR 23 HB THR 23 1.218 4.312 -6.586
134 HG1 THR 23 HG1 THR 23 -1.369 4.695 -7.551
135 HG21 THR 23 HG21 THR 23 1.133 6.714 -7.000
136 HG22 THR 23 HG22 THR 23 0.536 6.413 -8.634
137 HG23 THR 23 HG23 THR 23 2.159 5.889 -8.173
138 H THR 24 H THR 24 1.916 1.695 -7.703
139 HA THR 24 HA THR 24 -0.484 0.074 -7.310
140 HB THR 24 HB THR 24 1.064 -1.901 -7.537
141 HG1 THR 24 HG1 THR 24 2.923 0.123 -7.846
142 HG21 THR 24 HG21 THR 24 1.162 -1.800 -10.012
143 HG22 THR 24 HG22 THR 24 0.768 -0.079 -9.923
144 HG23 THR 24 HG23 THR 24 -0.393 -1.276 -9.363
145 H CYS 25 H CYS 25 -0.500 -1.307 -5.492
146 HA CYS 25 HA CYS 25 0.832 -0.154 -3.209
147 HB2 CYS 25 HB2 CYS 25 -1.540 -0.837 -3.044
148 HB3 CYS 25 HB3 CYS 25 -1.079 -2.487 -3.447
149 H GLN 26 H GLN 26 2.948 -0.660 -3.119
150 HA GLN 26 HA GLN 26 3.741 -3.403 -3.722
151 HB2 GLN 26 HB2 GLN 26 5.445 -0.926 -3.423
152 HB3 GLN 26 HB3 GLN 26 6.029 -2.526 -3.865
153 HG2 GLN 26 HG2 GLN 26 4.566 -2.427 -5.883
154 HG3 GLN 26 HG3 GLN 26 4.182 -0.766 -5.452
155 HE21 GLN 26 HE21 GLN 26 5.046 0.047 -7.309
156 HE22 GLN 26 HE22 GLN 26 6.733 0.085 -7.644
157 H VAL 27 H VAL 27 4.708 -4.666 -2.299
158 HA VAL 27 HA VAL 27 4.352 -4.030 0.495
159 HB VAL 27 HB VAL 27 5.485 -6.539 -0.779
160 HG11 VAL 27 HG11 VAL 27 4.880 -7.633 1.332
161 HG12 VAL 27 HG12 VAL 27 4.369 -6.075 1.983
162 HG13 VAL 27 HG13 VAL 27 6.061 -6.344 1.568
163 HG21 VAL 27 HG21 VAL 27 2.646 -5.953 0.049
164 HG22 VAL 27 HG22 VAL 27 3.246 -7.521 -0.490
165 HG23 VAL 27 HG23 VAL 27 3.231 -6.151 -1.602
166 H LEU 28 H LEU 28 5.904 -2.999 1.545
167 HA LEU 28 HA LEU 28 8.685 -3.280 0.641
168 HB2 LEU 28 HB2 LEU 28 7.393 -1.245 2.452
169 HB3 LEU 28 HB3 LEU 28 9.099 -1.276 2.063
170 HG LEU 28 HG LEU 28 6.867 -0.807 0.071
171 HD11 LEU 28 HD11 LEU 28 7.717 1.479 0.015
172 HD12 LEU 28 HD12 LEU 28 8.857 1.081 1.304
173 HD13 LEU 28 HD13 LEU 28 7.114 1.026 1.608
174 HD21 LEU 28 HD21 LEU 28 8.817 -1.864 -0.936
175 HD22 LEU 28 HD22 LEU 28 9.846 -0.622 -0.201
176 HD23 LEU 28 HD23 LEU 28 8.665 -0.171 -1.431
177 H ASN 29 H ASN 29 6.568 -3.476 3.418
178 HA ASN 29 HA ASN 29 8.452 -5.215 4.800
179 HB2 ASN 29 HB2 ASN 29 6.876 -2.932 6.080
180 HB3 ASN 29 HB3 ASN 29 7.850 -4.101 6.939
181 HD21 ASN 29 HD21 ASN 29 8.021 -1.172 6.903
182 HD22 ASN 29 HD22 ASN 29 9.625 -0.818 6.378
183 HA PRO 30 HA PRO 30 4.856 -7.793 5.382
184 HB2 PRO 30 HB2 PRO 30 4.957 -7.358 8.331
185 HB3 PRO 30 HB3 PRO 30 4.861 -8.870 7.424
186 HG2 PRO 30 HG2 PRO 30 7.164 -8.134 8.493
187 HG3 PRO 30 HG3 PRO 30 7.123 -8.832 6.865
188 HD2 PRO 30 HD2 PRO 30 7.448 -5.989 7.705
189 HD3 PRO 30 HD3 PRO 30 8.240 -6.862 6.373
190 H TYR 31 H TYR 31 4.677 -4.974 7.605
191 HA TYR 31 HA TYR 31 1.767 -4.953 7.187
192 HB2 TYR 31 HB2 TYR 31 3.381 -3.357 9.194
193 HB3 TYR 31 HB3 TYR 31 1.636 -3.470 9.105
194 HD1 TYR 31 HD1 TYR 31 0.476 -5.433 9.924
195 HD2 TYR 31 HD2 TYR 31 4.703 -5.190 10.094
196 HE1 TYR 31 HE1 TYR 31 0.513 -7.323 11.480
197 HE2 TYR 31 HE2 TYR 31 4.758 -7.076 11.657
198 HH TYR 31 HH TYR 31 2.022 -9.028 12.244
199 H TYR 32 H TYR 32 4.667 -3.226 6.472
200 HA TYR 32 HA TYR 32 3.121 -0.893 5.688
201 HB2 TYR 32 HB2 TYR 32 5.188 -0.554 7.036
202 HB3 TYR 32 HB3 TYR 32 6.129 -1.210 5.702
203 HD1 TYR 32 HD1 TYR 32 3.899 1.582 6.663
204 HD2 TYR 32 HD2 TYR 32 6.831 0.184 3.909
205 HE1 TYR 32 HE1 TYR 32 4.088 3.840 5.718
206 HE2 TYR 32 HE2 TYR 32 7.020 2.437 2.959
207 HH TYR 32 HH TYR 32 5.758 5.160 4.495
208 H SER 33 H SER 33 2.357 -0.859 3.800
209 HA SER 33 HA SER 33 3.940 -1.799 1.543
210 HB2 SER 33 HB2 SER 33 0.927 -1.884 1.910
211 HB3 SER 33 HB3 SER 33 1.804 -2.475 0.500
212 HG SER 33 HG SER 33 2.851 -3.596 2.677
213 H GLN 34 H GLN 34 3.847 -0.310 -0.225
214 HA GLN 34 HA GLN 34 2.694 2.286 0.520
215 HB2 GLN 34 HB2 GLN 34 5.084 2.173 1.093
216 HB3 GLN 34 HB3 GLN 34 5.453 1.774 -0.574
217 HG2 GLN 34 HG2 GLN 34 4.644 3.918 -1.290
218 HG3 GLN 34 HG3 GLN 34 4.214 4.343 0.371
219 HE21 GLN 34 HE21 GLN 34 5.926 4.715 1.877
220 HE22 GLN 34 HE22 GLN 34 7.501 5.071 1.313
221 H CYS 35 H CYS 35 1.903 3.480 -1.137
222 HA CYS 35 HA CYS 35 1.426 2.183 -3.640
223 HB2 CYS 35 HB2 CYS 35 0.818 4.999 -2.751
224 HB3 CYS 35 HB3 CYS 35 0.268 4.285 -4.261
225 H LEU 36 H LEU 36 2.951 1.985 -5.014
226 HA LEU 36 HA LEU 36 4.551 4.283 -5.796
227 HB2 LEU 36 HB2 LEU 36 5.490 1.441 -5.381
228 HB3 LEU 36 HB3 LEU 36 6.431 2.690 -6.175
229 HG LEU 36 HG LEU 36 5.508 2.862 -3.307
230 HD11 LEU 36 HD11 LEU 36 8.211 2.072 -4.400
231 HD12 LEU 36 HD12 LEU 36 7.059 0.995 -3.602
232 HD13 LEU 36 HD13 LEU 36 7.791 2.321 -2.702
233 HD21 LEU 36 HD21 LEU 36 5.931 5.017 -4.380
234 HD22 LEU 36 HD22 LEU 36 7.525 4.456 -4.889
235 HD23 LEU 36 HD23 LEU 36 7.164 4.654 -3.177
236 H1 MAN 101 H1 MAN 101 -6.779 6.673 -6.105
237 H2 MAN 101 H2 MAN 101 -7.513 9.628 -6.088
238 H3 MAN 101 H3 MAN 101 -7.567 9.531 -8.267
239 H4 MAN 101 H4 MAN 101 -6.855 6.549 -8.115
240 H5 MAN 101 H5 MAN 101 -9.659 7.880 -7.948
241 H61 MAN 101 H61 MAN 101 -8.700 5.015 -7.727
242 H62 MAN 101 H62 MAN 101 -9.829 5.660 -8.939
243 HO2 MAN 101 HO2 MAN 101 -5.584 9.127 -5.036
244 HO3 MAN 101 HO3 MAN 101 -5.250 9.556 -8.018
245 HO4 MAN 101 HO4 MAN 101 -6.812 7.555 -10.108
246 HO6 MAN 101 HO6 MAN 101 -10.355 6.029 -6.192
Start of MODEL 12
1 H1 THR 1 H1 THR 1 -8.376 8.108 -1.804
2 H2 THR 1 H2 THR 1 -8.642 6.660 -0.996
3 H3 THR 1 H3 THR 1 -9.378 6.934 -2.493
4 HA THR 1 HA THR 1 -7.489 5.477 -2.726
5 HB THR 1 HB THR 1 -6.111 6.861 -4.285
6 HG21 THR 1 HG21 THR 1 -8.225 5.765 -5.014
7 HG22 THR 1 HG22 THR 1 -7.958 7.270 -5.884
8 HG23 THR 1 HG23 THR 1 -9.119 7.219 -4.562
9 H GLN 2 H GLN 2 -5.188 5.264 -2.552
10 HA GLN 2 HA GLN 2 -4.132 6.770 -0.306
11 HB2 GLN 2 HB2 GLN 2 -4.047 4.251 -0.298
12 HB3 GLN 2 HB3 GLN 2 -2.951 4.347 -1.672
13 HG2 GLN 2 HG2 GLN 2 -1.632 4.070 0.291
14 HG3 GLN 2 HG3 GLN 2 -1.425 5.719 -0.289
15 HE21 GLN 2 HE21 GLN 2 -4.203 4.494 1.499
16 HE22 GLN 2 HE22 GLN 2 -3.938 5.442 2.909
17 H SER 3 H SER 3 -2.498 8.189 -0.625
18 HA SER 3 HA SER 3 -1.926 9.075 -3.249
19 HB2 SER 3 HB2 SER 3 -0.690 9.823 -0.603
20 HB3 SER 3 HB3 SER 3 -0.627 10.776 -2.083
21 HG SER 3 HG SER 3 -2.799 11.132 -1.956
22 H HIS 4 H HIS 4 0.386 9.504 -3.903
23 HA HIS 4 HA HIS 4 1.790 7.043 -4.133
24 HB2 HIS 4 HB2 HIS 4 1.731 8.863 -5.881
25 HB3 HIS 4 HB3 HIS 4 2.731 9.841 -4.823
26 HD1 HIS 4 HD1 HIS 4 4.781 9.951 -6.301
27 HD2 HIS 4 HD2 HIS 4 3.535 6.063 -5.619
28 HE1 HIS 4 HE1 HIS 4 6.542 8.482 -7.324
29 HE2 HIS 4 HE2 HIS 4 5.450 6.248 -7.302
30 H TYR 5 H TYR 5 3.406 6.279 -2.945
31 HA TYR 5 HA TYR 5 4.936 5.995 -1.389
32 HB2 TYR 5 HB2 TYR 5 5.007 9.016 -1.063
33 HB3 TYR 5 HB3 TYR 5 6.064 7.913 -0.199
34 HD1 TYR 5 HD1 TYR 5 7.279 6.160 -1.885
35 HD2 TYR 5 HD2 TYR 5 5.926 10.064 -2.897
36 HE1 TYR 5 HE1 TYR 5 8.873 6.221 -3.747
37 HE2 TYR 5 HE2 TYR 5 7.522 10.132 -4.766
38 HH TYR 5 HH TYR 5 9.658 9.042 -5.410
39 H GLY 6 H GLY 6 1.950 6.520 -0.932
40 HA2 GLY 6 HA2 GLY 6 2.018 6.763 1.967
41 HA3 GLY 6 HA3 GLY 6 0.577 6.764 0.957
42 H GLN 7 H GLN 7 0.712 5.228 3.208
43 HA GLN 7 HA GLN 7 1.443 2.509 2.537
44 HB2 GLN 7 HB2 GLN 7 1.798 3.338 4.838
45 HB3 GLN 7 HB3 GLN 7 0.077 3.652 4.980
46 HG2 GLN 7 HG2 GLN 7 -0.385 1.252 4.811
47 HG3 GLN 7 HG3 GLN 7 1.344 0.931 4.679
48 HE21 GLN 7 HE21 GLN 7 1.302 -0.367 6.647
49 HE22 GLN 7 HE22 GLN 7 1.144 0.424 8.151
50 H CYS 8 H CYS 8 0.144 1.616 1.077
51 HA CYS 8 HA CYS 8 -2.593 2.255 0.755
52 HB2 CYS 8 HB2 CYS 8 -2.559 0.226 -0.804
53 HB3 CYS 8 HB3 CYS 8 -1.510 1.575 -1.205
54 H GLY 9 H GLY 9 -1.086 -0.760 1.893
55 HA2 GLY 9 HA2 GLY 9 -2.978 -1.091 3.934
56 HA3 GLY 9 HA3 GLY 9 -3.520 -1.968 2.517
57 H GLY 10 H GLY 10 -1.078 -1.722 4.945
58 HA2 GLY 10 HA2 GLY 10 -0.033 -4.339 4.151
59 HA3 GLY 10 HA3 GLY 10 0.719 -3.246 5.314
60 H ILE 11 H ILE 11 0.645 -5.406 6.591
61 HA ILE 11 HA ILE 11 -1.851 -6.295 7.532
62 HB ILE 11 HB ILE 11 0.881 -6.554 8.841
63 HG12 ILE 11 HG12 ILE 11 -0.725 -8.503 7.169
64 HG13 ILE 11 HG13 ILE 11 0.663 -7.585 6.605
65 HG21 ILE 11 HG21 ILE 11 -1.690 -8.028 9.461
66 HG22 ILE 11 HG22 ILE 11 -0.905 -6.843 10.503
67 HG23 ILE 11 HG23 ILE 11 -0.111 -8.383 10.162
68 HD11 ILE 11 HD11 ILE 11 0.685 -9.670 8.772
69 HD12 ILE 11 HD12 ILE 11 2.085 -8.762 8.196
70 HD13 ILE 11 HD13 ILE 11 1.243 -9.874 7.113
71 H GLY 12 H GLY 12 -3.250 -5.340 8.749
72 HA2 GLY 12 HA2 GLY 12 -3.896 -4.324 10.801
73 HA3 GLY 12 HA3 GLY 12 -2.361 -3.471 10.825
74 H TYR 13 H TYR 13 -2.951 -3.065 7.786
75 HA TYR 13 HA TYR 13 -4.560 -0.658 8.238
76 HB2 TYR 13 HB2 TYR 13 -2.101 -0.477 7.486
77 HB3 TYR 13 HB3 TYR 13 -2.649 -1.114 5.946
78 HD1 TYR 13 HD1 TYR 13 -2.099 1.781 7.863
79 HD2 TYR 13 HD2 TYR 13 -4.608 0.264 4.790
80 HE1 TYR 13 HE1 TYR 13 -2.660 4.068 7.211
81 HE2 TYR 13 HE2 TYR 13 -5.181 2.556 4.119
82 HH TYR 13 HH TYR 13 -5.237 4.841 5.323
83 H SER 14 H SER 14 -6.534 -0.744 7.344
84 HA SER 14 HA SER 14 -6.878 -2.200 4.852
85 HB2 SER 14 HB2 SER 14 -9.133 -3.006 5.903
86 HB3 SER 14 HB3 SER 14 -7.637 -3.863 6.281
87 HG SER 14 HG SER 14 -8.307 -3.532 8.204
88 H GLY 15 H GLY 15 -6.899 0.687 5.941
89 HA2 GLY 15 HA2 GLY 15 -9.526 1.670 5.317
90 HA3 GLY 15 HA3 GLY 15 -8.091 2.629 5.602
91 HA PRO 16 HA PRO 16 -8.683 3.466 1.178
92 HB2 PRO 16 HB2 PRO 16 -6.566 5.257 1.024
93 HB3 PRO 16 HB3 PRO 16 -8.218 5.694 1.459
94 HG2 PRO 16 HG2 PRO 16 -5.864 5.215 3.211
95 HG3 PRO 16 HG3 PRO 16 -7.178 6.390 3.388
96 HD2 PRO 16 HD2 PRO 16 -7.044 4.103 4.842
97 HD3 PRO 16 HD3 PRO 16 -8.581 4.854 4.377
98 H THR 17 H THR 17 -8.061 1.514 0.382
99 HA THR 17 HA THR 17 -5.265 0.748 0.413
100 HB THR 17 HB THR 17 -6.509 -1.437 -0.443
101 HG1 THR 17 HG1 THR 17 -8.465 -0.228 1.187
102 HG21 THR 17 HG21 THR 17 -6.621 -0.441 2.416
103 HG22 THR 17 HG22 THR 17 -5.245 -1.243 1.662
104 HG23 THR 17 HG23 THR 17 -6.750 -2.128 1.914
105 H VAL 18 H VAL 18 -7.508 2.111 -1.715
106 HA VAL 18 HA VAL 18 -6.395 0.869 -4.091
107 HB VAL 18 HB VAL 18 -8.479 3.072 -3.889
108 HG11 VAL 18 HG11 VAL 18 -7.344 3.089 -6.040
109 HG12 VAL 18 HG12 VAL 18 -9.004 2.528 -6.225
110 HG13 VAL 18 HG13 VAL 18 -7.672 1.369 -6.243
111 HG21 VAL 18 HG21 VAL 18 -9.274 1.002 -2.877
112 HG22 VAL 18 HG22 VAL 18 -8.833 0.109 -4.329
113 HG23 VAL 18 HG23 VAL 18 -10.122 1.311 -4.393
114 H CYS 19 H CYS 19 -4.550 1.613 -4.813
115 HA CYS 19 HA CYS 19 -3.460 4.098 -4.022
116 HB2 CYS 19 HB2 CYS 19 -2.573 2.085 -6.072
117 HB3 CYS 19 HB3 CYS 19 -1.621 3.474 -5.561
118 H ALA 20 H ALA 20 -3.071 5.905 -5.186
119 HA ALA 20 HA ALA 20 -4.975 6.840 -6.973
120 HB1 ALA 20 HB1 ALA 20 -3.590 8.304 -5.598
121 HB2 ALA 20 HB2 ALA 20 -3.422 8.748 -7.302
122 HB3 ALA 20 HB3 ALA 20 -2.162 7.819 -6.504
123 H SER 21 H SER 21 -4.789 7.430 -9.226
124 HA SER 21 HA SER 21 -4.151 5.550 -11.019
125 HB2 SER 21 HB2 SER 21 -4.005 8.516 -11.457
126 HB3 SER 21 HB3 SER 21 -4.471 7.262 -12.610
127 HG SER 21 HG SER 21 -6.370 7.270 -11.842
128 H GLY 22 H GLY 22 -2.236 4.648 -11.500
129 HA2 GLY 22 HA2 GLY 22 -0.167 4.907 -12.703
130 HA3 GLY 22 HA3 GLY 22 0.075 6.424 -11.857
131 H THR 23 H THR 23 -0.928 4.916 -9.376
132 HA THR 23 HA THR 23 1.760 3.931 -8.748
133 HB THR 23 HB THR 23 1.312 4.449 -6.400
134 HG1 THR 23 HG1 THR 23 -1.289 5.042 -7.389
135 HG21 THR 23 HG21 THR 23 1.013 6.873 -6.546
136 HG22 THR 23 HG22 THR 23 0.461 6.696 -8.215
137 HG23 THR 23 HG23 THR 23 2.116 6.266 -7.778
138 H THR 24 H THR 24 2.073 1.998 -7.687
139 HA THR 24 HA THR 24 -0.239 0.203 -7.662
140 HB THR 24 HB THR 24 1.485 -1.635 -8.011
141 HG1 THR 24 HG1 THR 24 3.162 0.631 -8.190
142 HG21 THR 24 HG21 THR 24 1.171 0.425 -10.200
143 HG22 THR 24 HG22 THR 24 0.022 -0.856 -9.820
144 HG23 THR 24 HG23 THR 24 1.619 -1.260 -10.442
145 H CYS 25 H CYS 25 -0.621 -0.962 -5.835
146 HA CYS 25 HA CYS 25 0.740 -0.209 -3.428
147 HB2 CYS 25 HB2 CYS 25 -1.678 -0.660 -3.401
148 HB3 CYS 25 HB3 CYS 25 -1.393 -2.320 -3.901
149 H GLN 26 H GLN 26 2.674 -0.974 -2.973
150 HA GLN 26 HA GLN 26 3.241 -3.786 -3.596
151 HB2 GLN 26 HB2 GLN 26 5.180 -1.477 -3.428
152 HB3 GLN 26 HB3 GLN 26 5.584 -3.153 -3.771
153 HG2 GLN 26 HG2 GLN 26 4.233 -3.040 -5.807
154 HG3 GLN 26 HG3 GLN 26 3.902 -1.342 -5.477
155 HE21 GLN 26 HE21 GLN 26 4.853 -0.659 -7.335
156 HE22 GLN 26 HE22 GLN 26 6.556 -0.689 -7.590
157 H VAL 27 H VAL 27 4.075 -5.015 -2.023
158 HA VAL 27 HA VAL 27 3.871 -4.025 0.695
159 HB VAL 27 HB VAL 27 4.573 -6.807 -0.318
160 HG11 VAL 27 HG11 VAL 27 3.727 -5.910 2.436
161 HG12 VAL 27 HG12 VAL 27 5.344 -6.429 1.961
162 HG13 VAL 27 HG13 VAL 27 4.006 -7.579 1.932
163 HG21 VAL 27 HG21 VAL 27 2.340 -6.168 -1.025
164 HG22 VAL 27 HG22 VAL 27 1.918 -5.725 0.628
165 HG23 VAL 27 HG23 VAL 27 2.254 -7.407 0.226
166 H LEU 28 H LEU 28 5.588 -2.951 1.430
167 HA LEU 28 HA LEU 28 8.268 -3.553 0.439
168 HB2 LEU 28 HB2 LEU 28 7.328 -1.440 2.375
169 HB3 LEU 28 HB3 LEU 28 8.949 -1.579 1.734
170 HG LEU 28 HG LEU 28 6.472 -0.919 0.133
171 HD11 LEU 28 HD11 LEU 28 7.136 0.884 1.556
172 HD12 LEU 28 HD12 LEU 28 7.577 1.267 -0.112
173 HD13 LEU 28 HD13 LEU 28 8.811 0.741 1.034
174 HD21 LEU 28 HD21 LEU 28 8.135 -2.169 -1.168
175 HD22 LEU 28 HD22 LEU 28 9.351 -0.983 -0.650
176 HD23 LEU 28 HD23 LEU 28 8.007 -0.475 -1.675
177 H ASN 29 H ASN 29 6.440 -3.455 3.407
178 HA ASN 29 HA ASN 29 8.288 -5.349 4.683
179 HB2 ASN 29 HB2 ASN 29 6.856 -3.049 6.117
180 HB3 ASN 29 HB3 ASN 29 7.940 -4.229 6.823
181 HD21 ASN 29 HD21 ASN 29 8.037 -1.294 6.865
182 HD22 ASN 29 HD22 ASN 29 9.561 -0.852 6.202
183 HA PRO 30 HA PRO 30 4.503 -7.627 5.290
184 HB2 PRO 30 HB2 PRO 30 4.838 -7.528 8.253
185 HB3 PRO 30 HB3 PRO 30 4.601 -8.928 7.202
186 HG2 PRO 30 HG2 PRO 30 6.997 -8.435 8.207
187 HG3 PRO 30 HG3 PRO 30 6.832 -8.963 6.522
188 HD2 PRO 30 HD2 PRO 30 7.339 -6.224 7.606
189 HD3 PRO 30 HD3 PRO 30 8.056 -7.008 6.183
190 H TYR 31 H TYR 31 4.896 -5.009 7.625
191 HA TYR 31 HA TYR 31 2.000 -4.649 7.744
192 HB2 TYR 31 HB2 TYR 31 4.180 -3.202 9.261
193 HB3 TYR 31 HB3 TYR 31 2.452 -3.099 9.568
194 HD1 TYR 31 HD1 TYR 31 1.287 -4.896 10.721
195 HD2 TYR 31 HD2 TYR 31 5.444 -5.188 9.901
196 HE1 TYR 31 HE1 TYR 31 1.463 -6.790 12.282
197 HE2 TYR 31 HE2 TYR 31 5.634 -7.072 11.447
198 HH TYR 31 HH TYR 31 2.966 -8.725 12.589
199 H TYR 32 H TYR 32 4.814 -3.273 6.281
200 HA TYR 32 HA TYR 32 3.281 -0.860 5.686
201 HB2 TYR 32 HB2 TYR 32 5.434 -0.496 6.806
202 HB3 TYR 32 HB3 TYR 32 6.259 -1.267 5.456
203 HD1 TYR 32 HD1 TYR 32 3.747 1.432 5.986
204 HD2 TYR 32 HD2 TYR 32 7.265 0.171 3.937
205 HE1 TYR 32 HE1 TYR 32 3.905 3.623 4.905
206 HE2 TYR 32 HE2 TYR 32 7.419 2.354 2.862
207 HH TYR 32 HH TYR 32 6.244 4.245 2.408
208 H SER 33 H SER 33 2.277 -0.925 3.859
209 HA SER 33 HA SER 33 3.657 -1.970 1.508
210 HB2 SER 33 HB2 SER 33 0.672 -1.879 2.078
211 HB3 SER 33 HB3 SER 33 1.429 -2.582 0.649
212 HG SER 33 HG SER 33 1.287 -4.322 1.859
213 H GLN 34 H GLN 34 3.662 -0.532 -0.222
214 HA GLN 34 HA GLN 34 2.559 2.120 0.368
215 HB2 GLN 34 HB2 GLN 34 4.798 2.294 1.044
216 HB3 GLN 34 HB3 GLN 34 5.372 1.375 -0.328
217 HG2 GLN 34 HG2 GLN 34 4.971 3.205 -1.805
218 HG3 GLN 34 HG3 GLN 34 4.175 4.131 -0.519
219 HE21 GLN 34 HE21 GLN 34 5.448 5.155 0.996
220 HE22 GLN 34 HE22 GLN 34 7.163 5.249 0.855
221 H CYS 35 H CYS 35 1.813 3.268 -1.284
222 HA CYS 35 HA CYS 35 1.438 1.981 -3.823
223 HB2 CYS 35 HB2 CYS 35 0.735 4.781 -2.928
224 HB3 CYS 35 HB3 CYS 35 0.236 4.045 -4.444
225 H LEU 36 H LEU 36 3.148 1.809 -4.992
226 HA LEU 36 HA LEU 36 4.839 4.136 -5.482
227 HB2 LEU 36 HB2 LEU 36 5.358 1.179 -5.775
228 HB3 LEU 36 HB3 LEU 36 6.430 2.405 -6.421
229 HG LEU 36 HG LEU 36 5.748 2.130 -3.491
230 HD11 LEU 36 HD11 LEU 36 6.999 0.187 -4.289
231 HD12 LEU 36 HD12 LEU 36 7.958 1.213 -3.223
232 HD13 LEU 36 HD13 LEU 36 8.230 1.263 -4.970
233 HD21 LEU 36 HD21 LEU 36 7.671 3.622 -3.204
234 HD22 LEU 36 HD22 LEU 36 6.384 4.384 -4.130
235 HD23 LEU 36 HD23 LEU 36 7.817 3.764 -4.956
236 H1 MAN 101 H1 MAN 101 -5.548 8.985 -5.167
237 H2 MAN 101 H2 MAN 101 -6.931 11.174 -3.606
238 H3 MAN 101 H3 MAN 101 -7.253 12.271 -5.647
239 H4 MAN 101 H4 MAN 101 -4.880 10.673 -6.626
240 H5 MAN 101 H5 MAN 101 -7.823 10.554 -7.570
241 H61 MAN 101 H61 MAN 101 -5.394 8.739 -7.713
242 H62 MAN 101 H62 MAN 101 -6.309 9.427 -9.065
243 HO2 MAN 101 HO2 MAN 101 -4.724 11.834 -3.542
244 HO3 MAN 101 HO3 MAN 101 -5.660 13.422 -4.539
245 HO4 MAN 101 HO4 MAN 101 -5.083 12.750 -7.480
246 HO6 MAN 101 HO6 MAN 101 -8.003 8.095 -7.448
Start of MODEL 13
1 H1 THR 1 H1 THR 1 -8.380 8.603 -2.924
2 H2 THR 1 H2 THR 1 -8.820 7.549 -1.693
3 H3 THR 1 H3 THR 1 -9.489 7.356 -3.212
4 HA THR 1 HA THR 1 -7.775 5.730 -2.778
5 HB THR 1 HB THR 1 -6.222 6.310 -4.698
6 HG21 THR 1 HG21 THR 1 -8.042 6.050 -6.370
7 HG22 THR 1 HG22 THR 1 -9.215 6.579 -5.167
8 HG23 THR 1 HG23 THR 1 -8.355 5.059 -4.947
9 H GLN 2 H GLN 2 -5.541 5.295 -2.380
10 HA GLN 2 HA GLN 2 -4.415 7.163 -0.516
11 HB2 GLN 2 HB2 GLN 2 -4.439 4.690 -0.111
12 HB3 GLN 2 HB3 GLN 2 -3.324 4.501 -1.456
13 HG2 GLN 2 HG2 GLN 2 -2.190 4.448 0.722
14 HG3 GLN 2 HG3 GLN 2 -1.643 5.785 -0.290
15 HE21 GLN 2 HE21 GLN 2 -3.494 4.893 2.485
16 HE22 GLN 2 HE22 GLN 2 -3.585 6.461 3.194
17 H SER 3 H SER 3 -2.451 8.155 -0.733
18 HA SER 3 HA SER 3 -1.894 8.987 -3.436
19 HB2 SER 3 HB2 SER 3 -0.654 9.935 -0.859
20 HB3 SER 3 HB3 SER 3 -0.742 10.790 -2.400
21 HG SER 3 HG SER 3 -2.851 11.169 -2.108
22 H HIS 4 H HIS 4 0.280 9.213 -4.173
23 HA HIS 4 HA HIS 4 1.931 6.968 -4.109
24 HB2 HIS 4 HB2 HIS 4 1.837 8.636 -5.932
25 HB3 HIS 4 HB3 HIS 4 2.508 9.850 -4.866
26 HD1 HIS 4 HD1 HIS 4 4.562 10.340 -6.159
27 HD2 HIS 4 HD2 HIS 4 4.119 6.286 -5.423
28 HE1 HIS 4 HE1 HIS 4 6.679 9.280 -6.974
29 HE2 HIS 4 HE2 HIS 4 6.190 6.836 -6.871
30 H TYR 5 H TYR 5 3.542 6.371 -2.761
31 HA TYR 5 HA TYR 5 4.952 6.256 -1.074
32 HB2 TYR 5 HB2 TYR 5 4.961 9.259 -1.244
33 HB3 TYR 5 HB3 TYR 5 5.789 8.443 0.080
34 HD1 TYR 5 HD1 TYR 5 7.545 6.733 -0.503
35 HD2 TYR 5 HD2 TYR 5 5.998 9.479 -3.338
36 HE1 TYR 5 HE1 TYR 5 9.501 6.335 -1.924
37 HE2 TYR 5 HE2 TYR 5 7.949 9.086 -4.779
38 HH TYR 5 HH TYR 5 10.333 8.310 -4.448
39 H GLY 6 H GLY 6 1.926 6.673 -0.750
40 HA2 GLY 6 HA2 GLY 6 1.985 7.000 2.149
41 HA3 GLY 6 HA3 GLY 6 0.544 7.034 1.127
42 H GLN 7 H GLN 7 0.948 5.404 3.461
43 HA GLN 7 HA GLN 7 1.463 2.740 2.548
44 HB2 GLN 7 HB2 GLN 7 1.895 3.299 4.895
45 HB3 GLN 7 HB3 GLN 7 0.202 3.706 5.126
46 HG2 GLN 7 HG2 GLN 7 -0.456 1.408 4.840
47 HG3 GLN 7 HG3 GLN 7 1.189 0.947 4.417
48 HE21 GLN 7 HE21 GLN 7 -0.560 0.010 6.621
49 HE22 GLN 7 HE22 GLN 7 0.342 0.312 8.047
50 H CYS 8 H CYS 8 0.198 1.724 1.273
51 HA CYS 8 HA CYS 8 -2.550 2.429 0.881
52 HB2 CYS 8 HB2 CYS 8 -2.420 0.445 -0.725
53 HB3 CYS 8 HB3 CYS 8 -1.412 1.847 -1.074
54 H GLY 9 H GLY 9 -0.925 -0.577 1.935
55 HA2 GLY 9 HA2 GLY 9 -2.613 -1.018 4.043
56 HA3 GLY 9 HA3 GLY 9 -3.422 -1.718 2.650
57 H GLY 10 H GLY 10 -0.983 -2.014 4.972
58 HA2 GLY 10 HA2 GLY 10 -0.075 -4.521 3.798
59 HA3 GLY 10 HA3 GLY 10 0.703 -3.670 5.138
60 H ILE 11 H ILE 11 0.524 -5.777 6.268
61 HA ILE 11 HA ILE 11 -2.000 -6.881 6.907
62 HB ILE 11 HB ILE 11 0.624 -7.109 8.420
63 HG12 ILE 11 HG12 ILE 11 -0.606 -8.967 6.362
64 HG13 ILE 11 HG13 ILE 11 0.728 -7.863 6.060
65 HG21 ILE 11 HG21 ILE 11 -0.335 -9.172 9.383
66 HG22 ILE 11 HG22 ILE 11 -1.867 -8.818 8.585
67 HG23 ILE 11 HG23 ILE 11 -1.258 -7.741 9.838
68 HD11 ILE 11 HD11 ILE 11 0.759 -10.194 7.967
69 HD12 ILE 11 HD12 ILE 11 2.104 -9.096 7.655
70 HD13 ILE 11 HD13 ILE 11 1.504 -10.142 6.369
71 H GLY 12 H GLY 12 -3.530 -5.787 7.940
72 HA2 GLY 12 HA2 GLY 12 -4.427 -5.135 10.044
73 HA3 GLY 12 HA3 GLY 12 -2.834 -4.565 10.511
74 H TYR 13 H TYR 13 -3.995 -3.723 7.366
75 HA TYR 13 HA TYR 13 -4.481 -1.017 8.399
76 HB2 TYR 13 HB2 TYR 13 -2.548 -1.343 6.774
77 HB3 TYR 13 HB3 TYR 13 -3.759 -1.741 5.556
78 HD1 TYR 13 HD1 TYR 13 -2.380 0.924 7.668
79 HD2 TYR 13 HD2 TYR 13 -5.089 -0.002 4.542
80 HE1 TYR 13 HE1 TYR 13 -2.631 3.323 7.190
81 HE2 TYR 13 HE2 TYR 13 -5.345 2.389 4.050
82 HH TYR 13 HH TYR 13 -3.308 4.755 5.294
83 H SER 14 H SER 14 -6.530 -0.254 8.282
84 HA SER 14 HA SER 14 -8.450 -1.719 6.621
85 HB2 SER 14 HB2 SER 14 -10.094 -0.866 8.382
86 HB3 SER 14 HB3 SER 14 -8.949 -2.108 8.899
87 HG SER 14 HG SER 14 -8.855 0.687 9.383
88 H GLY 15 H GLY 15 -6.775 0.959 6.408
89 HA2 GLY 15 HA2 GLY 15 -8.914 2.860 5.873
90 HA3 GLY 15 HA3 GLY 15 -7.190 3.174 5.779
91 HA PRO 16 HA PRO 16 -8.695 2.946 1.465
92 HB2 PRO 16 HB2 PRO 16 -7.096 4.899 0.461
93 HB3 PRO 16 HB3 PRO 16 -8.628 5.233 1.270
94 HG2 PRO 16 HG2 PRO 16 -5.848 5.457 2.318
95 HG3 PRO 16 HG3 PRO 16 -7.253 6.492 2.630
96 HD2 PRO 16 HD2 PRO 16 -6.319 4.550 4.349
97 HD3 PRO 16 HD3 PRO 16 -7.984 5.162 4.341
98 H THR 17 H THR 17 -7.941 1.141 0.614
99 HA THR 17 HA THR 17 -5.133 0.524 0.607
100 HB THR 17 HB THR 17 -6.129 -1.673 -0.324
101 HG1 THR 17 HG1 THR 17 -8.214 -1.456 -0.724
102 HG21 THR 17 HG21 THR 17 -6.862 -0.716 2.458
103 HG22 THR 17 HG22 THR 17 -5.299 -1.373 1.988
104 HG23 THR 17 HG23 THR 17 -6.735 -2.400 1.949
105 H VAL 18 H VAL 18 -7.475 1.756 -1.584
106 HA VAL 18 HA VAL 18 -6.093 0.760 -3.938
107 HB VAL 18 HB VAL 18 -8.452 2.674 -3.755
108 HG11 VAL 18 HG11 VAL 18 -8.722 2.271 -6.167
109 HG12 VAL 18 HG12 VAL 18 -7.258 1.292 -6.166
110 HG13 VAL 18 HG13 VAL 18 -7.166 3.018 -5.811
111 HG21 VAL 18 HG21 VAL 18 -8.353 -0.244 -4.506
112 HG22 VAL 18 HG22 VAL 18 -9.793 0.781 -4.514
113 HG23 VAL 18 HG23 VAL 18 -8.970 0.415 -2.993
114 H CYS 19 H CYS 19 -4.473 1.741 -4.812
115 HA CYS 19 HA CYS 19 -3.590 4.295 -3.847
116 HB2 CYS 19 HB2 CYS 19 -2.425 2.410 -5.886
117 HB3 CYS 19 HB3 CYS 19 -1.630 3.858 -5.281
118 H ALA 20 H ALA 20 -2.570 5.746 -5.613
119 HA ALA 20 HA ALA 20 -4.689 6.792 -7.199
120 HB1 ALA 20 HB1 ALA 20 -3.104 8.533 -7.766
121 HB2 ALA 20 HB2 ALA 20 -1.775 7.562 -7.141
122 HB3 ALA 20 HB3 ALA 20 -2.989 8.194 -6.035
123 H SER 21 H SER 21 -4.449 7.334 -9.499
124 HA SER 21 HA SER 21 -4.149 5.042 -11.031
125 HB2 SER 21 HB2 SER 21 -4.150 7.923 -11.929
126 HB3 SER 21 HB3 SER 21 -4.607 6.515 -12.889
127 HG SER 21 HG SER 21 -6.256 7.912 -11.702
128 H GLY 22 H GLY 22 -2.249 4.099 -11.432
129 HA2 GLY 22 HA2 GLY 22 -0.255 4.142 -12.796
130 HA3 GLY 22 HA3 GLY 22 -0.026 5.815 -12.314
131 H THR 23 H THR 23 -1.007 4.243 -9.607
132 HA THR 23 HA THR 23 1.742 3.499 -8.909
133 HB THR 23 HB THR 23 1.297 4.247 -6.568
134 HG1 THR 23 HG1 THR 23 -1.192 4.786 -7.667
135 HG21 THR 23 HG21 THR 23 1.448 6.667 -6.968
136 HG22 THR 23 HG22 THR 23 0.930 6.418 -8.634
137 HG23 THR 23 HG23 THR 23 2.472 5.759 -8.081
138 H THR 24 H THR 24 2.011 1.622 -7.769
139 HA THR 24 HA THR 24 -0.444 0.093 -7.367
140 HB THR 24 HB THR 24 1.058 -1.934 -7.553
141 HG1 THR 24 HG1 THR 24 2.958 0.019 -7.717
142 HG21 THR 24 HG21 THR 24 0.921 -0.127 -9.974
143 HG22 THR 24 HG22 THR 24 -0.349 -1.223 -9.435
144 HG23 THR 24 HG23 THR 24 1.191 -1.868 -10.011
145 H CYS 25 H CYS 25 -0.609 -1.134 -5.482
146 HA CYS 25 HA CYS 25 0.738 -0.035 -3.195
147 HB2 CYS 25 HB2 CYS 25 -1.651 -0.715 -3.103
148 HB3 CYS 25 HB3 CYS 25 -1.189 -2.371 -3.455
149 H GLN 26 H GLN 26 2.884 -0.600 -3.114
150 HA GLN 26 HA GLN 26 3.525 -3.379 -3.709
151 HB2 GLN 26 HB2 GLN 26 5.444 -1.059 -3.455
152 HB3 GLN 26 HB3 GLN 26 5.825 -2.687 -4.006
153 HG2 GLN 26 HG2 GLN 26 4.211 -2.296 -5.899
154 HG3 GLN 26 HG3 GLN 26 4.168 -0.605 -5.413
155 HE21 GLN 26 HE21 GLN 26 5.119 0.174 -7.274
156 HE22 GLN 26 HE22 GLN 26 6.769 -0.140 -7.676
157 H VAL 27 H VAL 27 4.482 -4.651 -2.301
158 HA VAL 27 HA VAL 27 4.231 -3.940 0.482
159 HB VAL 27 HB VAL 27 5.104 -6.551 -0.789
160 HG11 VAL 27 HG11 VAL 27 5.828 -6.385 1.517
161 HG12 VAL 27 HG12 VAL 27 4.527 -7.568 1.362
162 HG13 VAL 27 HG13 VAL 27 4.190 -5.967 2.022
163 HG21 VAL 27 HG21 VAL 27 2.847 -5.977 -1.484
164 HG22 VAL 27 HG22 VAL 27 2.379 -5.703 0.191
165 HG23 VAL 27 HG23 VAL 27 2.810 -7.327 -0.349
166 H LEU 28 H LEU 28 5.880 -2.724 1.206
167 HA LEU 28 HA LEU 28 8.613 -3.319 0.398
168 HB2 LEU 28 HB2 LEU 28 7.616 -1.333 2.449
169 HB3 LEU 28 HB3 LEU 28 9.242 -1.426 1.815
170 HG LEU 28 HG LEU 28 6.772 -0.577 0.299
171 HD11 LEU 28 HD11 LEU 28 7.612 1.052 1.899
172 HD12 LEU 28 HD12 LEU 28 7.853 1.595 0.238
173 HD13 LEU 28 HD13 LEU 28 9.210 0.950 1.167
174 HD21 LEU 28 HD21 LEU 28 8.292 -0.035 -1.519
175 HD22 LEU 28 HD22 LEU 28 8.305 -1.770 -1.180
176 HD23 LEU 28 HD23 LEU 28 9.635 -0.744 -0.621
177 H ASN 29 H ASN 29 6.540 -3.410 3.223
178 HA ASN 29 HA ASN 29 8.327 -5.338 4.507
179 HB2 ASN 29 HB2 ASN 29 6.884 -3.038 5.888
180 HB3 ASN 29 HB3 ASN 29 7.785 -4.308 6.692
181 HD21 ASN 29 HD21 ASN 29 7.975 -1.344 4.920
182 HD22 ASN 29 HD22 ASN 29 9.655 -1.070 5.177
183 HA PRO 30 HA PRO 30 4.590 -7.696 4.986
184 HB2 PRO 30 HB2 PRO 30 4.925 -7.690 7.948
185 HB3 PRO 30 HB3 PRO 30 4.719 -9.057 6.847
186 HG2 PRO 30 HG2 PRO 30 7.098 -8.539 7.884
187 HG3 PRO 30 HG3 PRO 30 6.954 -9.028 6.183
188 HD2 PRO 30 HD2 PRO 30 7.387 -6.310 7.352
189 HD3 PRO 30 HD3 PRO 30 8.131 -7.030 5.909
190 H TYR 31 H TYR 31 4.923 -5.173 7.475
191 HA TYR 31 HA TYR 31 2.020 -4.907 7.495
192 HB2 TYR 31 HB2 TYR 31 4.090 -3.581 9.251
193 HB3 TYR 31 HB3 TYR 31 2.353 -3.442 9.433
194 HD1 TYR 31 HD1 TYR 31 1.055 -5.286 10.341
195 HD2 TYR 31 HD2 TYR 31 5.269 -5.610 9.894
196 HE1 TYR 31 HE1 TYR 31 1.065 -7.230 11.845
197 HE2 TYR 31 HE2 TYR 31 5.285 -7.559 11.395
198 HH TYR 31 HH TYR 31 2.462 -9.157 12.279
199 H TYR 32 H TYR 32 4.874 -3.259 6.343
200 HA TYR 32 HA TYR 32 3.226 -0.925 5.736
201 HB2 TYR 32 HB2 TYR 32 5.474 -0.561 6.873
202 HB3 TYR 32 HB3 TYR 32 6.212 -1.154 5.400
203 HD1 TYR 32 HD1 TYR 32 6.509 0.233 3.518
204 HD2 TYR 32 HD2 TYR 32 4.117 1.547 6.764
205 HE1 TYR 32 HE1 TYR 32 6.412 2.483 2.531
206 HE2 TYR 32 HE2 TYR 32 4.008 3.798 5.793
207 HH TYR 32 HH TYR 32 5.284 5.167 4.259
208 H SER 33 H SER 33 2.277 -0.961 3.877
209 HA SER 33 HA SER 33 3.761 -1.860 1.526
210 HB2 SER 33 HB2 SER 33 0.766 -1.885 2.039
211 HB3 SER 33 HB3 SER 33 1.532 -2.432 0.552
212 HG SER 33 HG SER 33 2.734 -3.709 2.505
213 H GLN 34 H GLN 34 3.715 -0.336 -0.215
214 HA GLN 34 HA GLN 34 2.603 2.283 0.525
215 HB2 GLN 34 HB2 GLN 34 4.948 2.177 1.151
216 HB3 GLN 34 HB3 GLN 34 5.386 1.712 -0.484
217 HG2 GLN 34 HG2 GLN 34 4.634 3.853 -1.309
218 HG3 GLN 34 HG3 GLN 34 4.144 4.335 0.319
219 HE21 GLN 34 HE21 GLN 34 5.769 4.786 1.846
220 HE22 GLN 34 HE22 GLN 34 7.379 5.104 1.372
221 H CYS 35 H CYS 35 1.860 3.500 -1.140
222 HA CYS 35 HA CYS 35 1.389 2.239 -3.662
223 HB2 CYS 35 HB2 CYS 35 0.854 5.068 -2.764
224 HB3 CYS 35 HB3 CYS 35 0.289 4.368 -4.278
225 H LEU 36 H LEU 36 2.966 1.971 -5.010
226 HA LEU 36 HA LEU 36 4.626 4.228 -5.808
227 HB2 LEU 36 HB2 LEU 36 5.511 1.378 -5.342
228 HB3 LEU 36 HB3 LEU 36 6.491 2.604 -6.115
229 HG LEU 36 HG LEU 36 5.518 2.752 -3.260
230 HD11 LEU 36 HD11 LEU 36 8.241 2.030 -4.340
231 HD12 LEU 36 HD12 LEU 36 7.104 0.922 -3.565
232 HD13 LEU 36 HD13 LEU 36 7.809 2.246 -2.640
233 HD21 LEU 36 HD21 LEU 36 7.155 4.565 -3.080
234 HD22 LEU 36 HD22 LEU 36 5.908 4.938 -4.264
235 HD23 LEU 36 HD23 LEU 36 7.505 4.415 -4.801
236 H1 MAN 101 H1 MAN 101 -5.312 8.007 -5.932
237 H2 MAN 101 H2 MAN 101 -5.744 10.429 -5.405
238 H3 MAN 101 H3 MAN 101 -8.107 10.587 -5.955
239 H4 MAN 101 H4 MAN 101 -7.172 10.107 -8.800
240 H5 MAN 101 H5 MAN 101 -8.831 8.277 -6.934
241 H61 MAN 101 H61 MAN 101 -7.825 7.951 -9.781
242 H62 MAN 101 H62 MAN 101 -9.540 8.002 -9.284
243 HO2 MAN 101 HO2 MAN 101 -5.176 11.158 -7.424
244 HO3 MAN 101 HO3 MAN 101 -7.869 12.343 -7.435
245 HO4 MAN 101 HO4 MAN 101 -9.426 10.241 -9.191
246 HO6 MAN 101 HO6 MAN 101 -7.662 6.121 -8.247
Start of MODEL 14
1 H1 THR 1 H1 THR 1 -8.734 6.608 -1.054
2 H2 THR 1 H2 THR 1 -9.478 6.426 -2.562
3 H3 THR 1 H3 THR 1 -8.450 7.725 -2.260
4 HA THR 1 HA THR 1 -7.559 4.947 -2.298
5 HB THR 1 HB THR 1 -6.293 5.770 -4.350
6 HG21 THR 1 HG21 THR 1 -9.325 5.841 -4.537
7 HG22 THR 1 HG22 THR 1 -8.393 4.354 -4.415
8 HG23 THR 1 HG23 THR 1 -8.232 5.381 -5.836
9 H GLN 2 H GLN 2 -5.148 4.934 -2.350
10 HA GLN 2 HA GLN 2 -4.172 6.849 -0.387
11 HB2 GLN 2 HB2 GLN 2 -3.925 4.325 -0.155
12 HB3 GLN 2 HB3 GLN 2 -2.803 4.404 -1.499
13 HG2 GLN 2 HG2 GLN 2 -1.493 4.379 0.462
14 HG3 GLN 2 HG3 GLN 2 -1.448 6.022 -0.172
15 HE21 GLN 2 HE21 GLN 2 -4.111 4.565 1.616
16 HE22 GLN 2 HE22 GLN 2 -3.987 5.593 2.982
17 H SER 3 H SER 3 -2.511 8.273 -0.859
18 HA SER 3 HA SER 3 -1.930 8.783 -3.635
19 HB2 SER 3 HB2 SER 3 -0.955 10.148 -1.115
20 HB3 SER 3 HB3 SER 3 -0.758 10.761 -2.757
21 HG SER 3 HG SER 3 -3.137 10.412 -1.269
22 H HIS 4 H HIS 4 0.432 9.382 -4.138
23 HA HIS 4 HA HIS 4 1.997 7.036 -4.042
24 HB2 HIS 4 HB2 HIS 4 2.023 8.819 -5.830
25 HB3 HIS 4 HB3 HIS 4 2.897 9.853 -4.711
26 HD1 HIS 4 HD1 HIS 4 5.234 9.970 -5.603
27 HD2 HIS 4 HD2 HIS 4 3.686 6.123 -5.776
28 HE1 HIS 4 HE1 HIS 4 7.098 8.530 -6.437
29 HE2 HIS 4 HE2 HIS 4 6.030 6.312 -6.837
30 H TYR 5 H TYR 5 3.591 6.405 -2.680
31 HA TYR 5 HA TYR 5 4.955 6.260 -0.929
32 HB2 TYR 5 HB2 TYR 5 4.789 9.246 -0.958
33 HB3 TYR 5 HB3 TYR 5 5.482 8.443 0.438
34 HD1 TYR 5 HD1 TYR 5 6.053 9.612 -2.909
35 HD2 TYR 5 HD2 TYR 5 7.484 6.966 0.086
36 HE1 TYR 5 HE1 TYR 5 8.252 9.559 -4.002
37 HE2 TYR 5 HE2 TYR 5 9.677 6.898 -0.999
38 HH TYR 5 HH TYR 5 10.559 9.133 -3.389
39 H GLY 6 H GLY 6 1.861 6.594 -0.767
40 HA2 GLY 6 HA2 GLY 6 1.732 6.918 2.125
41 HA3 GLY 6 HA3 GLY 6 0.359 6.795 1.031
42 H GLN 7 H GLN 7 0.823 5.311 3.469
43 HA GLN 7 HA GLN 7 1.502 2.630 2.759
44 HB2 GLN 7 HB2 GLN 7 1.755 3.470 5.074
45 HB3 GLN 7 HB3 GLN 7 0.023 3.733 5.164
46 HG2 GLN 7 HG2 GLN 7 -0.364 1.320 4.995
47 HG3 GLN 7 HG3 GLN 7 1.376 1.047 4.890
48 HE21 GLN 7 HE21 GLN 7 1.359 -0.245 6.830
49 HE22 GLN 7 HE22 GLN 7 1.157 0.491 8.354
50 H CYS 8 H CYS 8 0.270 1.895 1.144
51 HA CYS 8 HA CYS 8 -2.448 2.446 0.724
52 HB2 CYS 8 HB2 CYS 8 -2.279 0.443 -0.843
53 HB3 CYS 8 HB3 CYS 8 -1.207 1.808 -1.156
54 H GLY 9 H GLY 9 -0.937 -0.543 1.837
55 HA2 GLY 9 HA2 GLY 9 -2.837 -1.004 3.807
56 HA3 GLY 9 HA3 GLY 9 -3.378 -1.793 2.328
57 H GLY 10 H GLY 10 -1.108 -1.764 4.865
58 HA2 GLY 10 HA2 GLY 10 0.001 -4.270 3.866
59 HA3 GLY 10 HA3 GLY 10 0.658 -3.333 5.213
60 H ILE 11 H ILE 11 0.465 -5.610 6.216
61 HA ILE 11 HA ILE 11 -2.125 -6.537 6.885
62 HB ILE 11 HB ILE 11 0.505 -7.037 8.335
63 HG12 ILE 11 HG12 ILE 11 -0.893 -8.736 6.246
64 HG13 ILE 11 HG13 ILE 11 0.526 -7.741 5.950
65 HG21 ILE 11 HG21 ILE 11 -2.116 -8.547 8.459
66 HG22 ILE 11 HG22 ILE 11 -1.427 -7.554 9.743
67 HG23 ILE 11 HG23 ILE 11 -0.616 -9.039 9.244
68 HD11 ILE 11 HD11 ILE 11 1.108 -10.093 6.218
69 HD12 ILE 11 HD12 ILE 11 0.383 -10.091 7.828
70 HD13 ILE 11 HD13 ILE 11 1.811 -9.111 7.501
71 H GLY 12 H GLY 12 -3.499 -5.409 8.063
72 HA2 GLY 12 HA2 GLY 12 -4.127 -4.719 10.280
73 HA3 GLY 12 HA3 GLY 12 -2.489 -4.134 10.515
74 H TYR 13 H TYR 13 -3.270 -3.188 7.481
75 HA TYR 13 HA TYR 13 -4.346 -0.628 8.464
76 HB2 TYR 13 HB2 TYR 13 -2.104 -0.497 7.339
77 HB3 TYR 13 HB3 TYR 13 -2.826 -1.169 5.886
78 HD1 TYR 13 HD1 TYR 13 -4.458 0.209 4.577
79 HD2 TYR 13 HD2 TYR 13 -2.347 1.821 7.893
80 HE1 TYR 13 HE1 TYR 13 -5.014 2.473 3.823
81 HE2 TYR 13 HE2 TYR 13 -2.908 4.095 7.141
82 HH TYR 13 HH TYR 13 -3.513 5.227 5.080
83 H SER 14 H SER 14 -6.469 -0.361 8.025
84 HA SER 14 HA SER 14 -7.555 -1.869 5.760
85 HB2 SER 14 HB2 SER 14 -9.678 -1.861 7.097
86 HB3 SER 14 HB3 SER 14 -8.361 -2.808 7.790
87 HG SER 14 HG SER 14 -9.592 -0.529 8.702
88 H GLY 15 H GLY 15 -6.577 1.051 6.204
89 HA2 GLY 15 HA2 GLY 15 -8.908 2.647 5.651
90 HA3 GLY 15 HA3 GLY 15 -7.235 3.178 5.551
91 HA PRO 16 HA PRO 16 -8.661 2.999 1.200
92 HB2 PRO 16 HB2 PRO 16 -6.991 4.974 0.284
93 HB3 PRO 16 HB3 PRO 16 -8.596 5.270 0.953
94 HG2 PRO 16 HG2 PRO 16 -5.931 5.626 2.203
95 HG3 PRO 16 HG3 PRO 16 -7.420 6.549 2.449
96 HD2 PRO 16 HD2 PRO 16 -6.430 4.633 4.177
97 HD3 PRO 16 HD3 PRO 16 -8.118 5.164 4.124
98 H THR 17 H THR 17 -7.858 1.111 0.553
99 HA THR 17 HA THR 17 -5.059 0.523 0.733
100 HB THR 17 HB THR 17 -5.920 -1.750 -0.081
101 HG1 THR 17 HG1 THR 17 -8.429 -1.082 0.856
102 HG21 THR 17 HG21 THR 17 -5.366 -1.240 2.282
103 HG22 THR 17 HG22 THR 17 -6.760 -2.310 2.160
104 HG23 THR 17 HG23 THR 17 -6.990 -0.598 2.511
105 H VAL 18 H VAL 18 -7.263 1.441 -1.752
106 HA VAL 18 HA VAL 18 -5.516 0.388 -3.835
107 HB VAL 18 HB VAL 18 -8.054 2.030 -4.129
108 HG11 VAL 18 HG11 VAL 18 -6.643 2.144 -6.110
109 HG12 VAL 18 HG12 VAL 18 -8.099 1.203 -6.440
110 HG13 VAL 18 HG13 VAL 18 -6.560 0.383 -6.168
111 HG21 VAL 18 HG21 VAL 18 -7.694 -0.960 -4.269
112 HG22 VAL 18 HG22 VAL 18 -9.178 -0.096 -4.671
113 HG23 VAL 18 HG23 VAL 18 -8.560 -0.068 -3.019
114 H CYS 19 H CYS 19 -4.242 1.697 -5.095
115 HA CYS 19 HA CYS 19 -3.574 4.207 -3.840
116 HB2 CYS 19 HB2 CYS 19 -2.222 2.665 -6.051
117 HB3 CYS 19 HB3 CYS 19 -1.579 4.086 -5.240
118 H ALA 20 H ALA 20 -2.596 5.770 -5.735
119 HA ALA 20 HA ALA 20 -4.947 6.659 -7.128
120 HB1 ALA 20 HB1 ALA 20 -2.165 7.811 -6.996
121 HB2 ALA 20 HB2 ALA 20 -3.532 8.285 -5.986
122 HB3 ALA 20 HB3 ALA 20 -3.560 8.605 -7.720
123 H SER 21 H SER 21 -4.580 7.495 -9.440
124 HA SER 21 HA SER 21 -4.251 5.267 -11.075
125 HB2 SER 21 HB2 SER 21 -4.301 8.190 -11.829
126 HB3 SER 21 HB3 SER 21 -4.782 6.815 -12.830
127 HG SER 21 HG SER 21 -6.441 6.390 -11.400
128 H GLY 22 H GLY 22 -2.338 4.381 -11.521
129 HA2 GLY 22 HA2 GLY 22 -0.350 4.523 -12.865
130 HA3 GLY 22 HA3 GLY 22 -0.108 6.150 -12.236
131 H THR 23 H THR 23 -1.118 4.490 -9.637
132 HA THR 23 HA THR 23 1.613 3.658 -8.956
133 HB THR 23 HB THR 23 1.134 4.371 -6.589
134 HG1 THR 23 HG1 THR 23 -1.288 4.941 -7.730
135 HG21 THR 23 HG21 THR 23 0.961 6.576 -8.649
136 HG22 THR 23 HG22 THR 23 2.446 5.821 -8.061
137 HG23 THR 23 HG23 THR 23 1.444 6.771 -6.964
138 H THR 24 H THR 24 1.838 1.835 -7.658
139 HA THR 24 HA THR 24 -0.626 0.284 -7.301
140 HB THR 24 HB THR 24 0.890 -1.746 -7.541
141 HG1 THR 24 HG1 THR 24 2.765 0.226 -7.832
142 HG21 THR 24 HG21 THR 24 0.544 0.063 -9.936
143 HG22 THR 24 HG22 THR 24 -0.653 -1.076 -9.317
144 HG23 THR 24 HG23 THR 24 0.860 -1.669 -10.004
145 H CYS 25 H CYS 25 -0.561 -1.251 -5.520
146 HA CYS 25 HA CYS 25 0.740 -0.071 -3.228
147 HB2 CYS 25 HB2 CYS 25 -1.629 -0.769 -3.092
148 HB3 CYS 25 HB3 CYS 25 -1.168 -2.421 -3.470
149 H GLN 26 H GLN 26 2.845 -0.608 -3.081
150 HA GLN 26 HA GLN 26 3.553 -3.331 -3.786
151 HB2 GLN 26 HB2 GLN 26 5.356 -0.934 -3.449
152 HB3 GLN 26 HB3 GLN 26 5.875 -2.542 -3.939
153 HG2 GLN 26 HG2 GLN 26 4.331 -2.333 -5.904
154 HG3 GLN 26 HG3 GLN 26 4.089 -0.653 -5.448
155 HE21 GLN 26 HE21 GLN 26 4.980 0.181 -7.270
156 HE22 GLN 26 HE22 GLN 26 6.646 0.037 -7.675
157 H VAL 27 H VAL 27 4.311 -4.690 -2.405
158 HA VAL 27 HA VAL 27 4.062 -4.066 0.386
159 HB VAL 27 HB VAL 27 4.832 -6.670 -0.978
160 HG11 VAL 27 HG11 VAL 27 3.994 -6.142 1.871
161 HG12 VAL 27 HG12 VAL 27 5.605 -6.617 1.330
162 HG13 VAL 27 HG13 VAL 27 4.248 -7.730 1.149
163 HG21 VAL 27 HG21 VAL 27 2.582 -5.942 -1.587
164 HG22 VAL 27 HG22 VAL 27 2.171 -5.769 0.121
165 HG23 VAL 27 HG23 VAL 27 2.525 -7.362 -0.545
166 H LEU 28 H LEU 28 5.691 -2.863 1.082
167 HA LEU 28 HA LEU 28 8.458 -3.429 0.406
168 HB2 LEU 28 HB2 LEU 28 7.368 -1.576 2.537
169 HB3 LEU 28 HB3 LEU 28 8.987 -1.562 1.885
170 HG LEU 28 HG LEU 28 6.456 -0.701 0.477
171 HD11 LEU 28 HD11 LEU 28 8.888 0.819 1.369
172 HD12 LEU 28 HD12 LEU 28 7.286 0.871 2.106
173 HD13 LEU 28 HD13 LEU 28 7.523 1.488 0.474
174 HD21 LEU 28 HD21 LEU 28 7.955 -1.764 -1.124
175 HD22 LEU 28 HD22 LEU 28 9.277 -0.728 -0.544
176 HD23 LEU 28 HD23 LEU 28 7.877 -0.011 -1.346
177 H ASN 29 H ASN 29 6.377 -3.430 3.234
178 HA ASN 29 HA ASN 29 8.010 -5.489 4.527
179 HB2 ASN 29 HB2 ASN 29 6.580 -3.126 5.814
180 HB3 ASN 29 HB3 ASN 29 7.341 -4.461 6.658
181 HD21 ASN 29 HD21 ASN 29 7.859 -1.507 4.940
182 HD22 ASN 29 HD22 ASN 29 9.505 -1.318 5.399
183 HA PRO 30 HA PRO 30 4.071 -7.555 4.920
184 HB2 PRO 30 HB2 PRO 30 4.230 -7.763 7.857
185 HB3 PRO 30 HB3 PRO 30 4.178 -9.049 6.648
186 HG2 PRO 30 HG2 PRO 30 6.413 -8.464 8.024
187 HG3 PRO 30 HG3 PRO 30 6.457 -9.045 6.354
188 HD2 PRO 30 HD2 PRO 30 6.826 -6.303 7.427
189 HD3 PRO 30 HD3 PRO 30 7.642 -7.095 6.061
190 H TYR 31 H TYR 31 4.584 -5.216 7.586
191 HA TYR 31 HA TYR 31 1.713 -4.742 7.582
192 HB2 TYR 31 HB2 TYR 31 3.819 -3.632 9.465
193 HB3 TYR 31 HB3 TYR 31 2.078 -3.555 9.666
194 HD1 TYR 31 HD1 TYR 31 5.032 -5.741 9.917
195 HD2 TYR 31 HD2 TYR 31 0.806 -5.532 10.334
196 HE1 TYR 31 HE1 TYR 31 5.052 -7.874 11.106
197 HE2 TYR 31 HE2 TYR 31 0.823 -7.669 11.527
198 HH TYR 31 HH TYR 31 2.148 -9.571 11.785
199 H TYR 32 H TYR 32 4.713 -3.247 6.635
200 HA TYR 32 HA TYR 32 3.173 -0.861 5.931
201 HB2 TYR 32 HB2 TYR 32 5.394 -0.526 7.176
202 HB3 TYR 32 HB3 TYR 32 6.170 -1.115 5.722
203 HD1 TYR 32 HD1 TYR 32 6.659 0.324 3.941
204 HD2 TYR 32 HD2 TYR 32 3.865 1.536 6.902
205 HE1 TYR 32 HE1 TYR 32 6.559 2.557 2.917
206 HE2 TYR 32 HE2 TYR 32 3.758 3.774 5.904
207 HH TYR 32 HH TYR 32 5.063 5.220 4.507
208 H SER 33 H SER 33 2.329 -0.868 4.002
209 HA SER 33 HA SER 33 3.951 -1.801 1.770
210 HB2 SER 33 HB2 SER 33 0.940 -2.047 2.114
211 HB3 SER 33 HB3 SER 33 1.852 -2.596 0.705
212 HG SER 33 HG SER 33 3.076 -3.742 2.652
213 H GLN 34 H GLN 34 3.768 -0.379 -0.098
214 HA GLN 34 HA GLN 34 2.619 2.228 0.618
215 HB2 GLN 34 HB2 GLN 34 4.931 2.223 1.320
216 HB3 GLN 34 HB3 GLN 34 5.442 1.675 -0.263
217 HG2 GLN 34 HG2 GLN 34 4.746 3.761 -1.234
218 HG3 GLN 34 HG3 GLN 34 4.149 4.327 0.332
219 HE21 GLN 34 HE21 GLN 34 5.675 4.847 1.947
220 HE22 GLN 34 HE22 GLN 34 7.315 5.161 1.522
221 H CYS 35 H CYS 35 1.948 3.468 -1.044
222 HA CYS 35 HA CYS 35 1.500 2.225 -3.576
223 HB2 CYS 35 HB2 CYS 35 0.953 5.024 -2.627
224 HB3 CYS 35 HB3 CYS 35 0.483 4.403 -4.205
225 H LEU 36 H LEU 36 2.973 2.011 -4.965
226 HA LEU 36 HA LEU 36 4.610 4.270 -5.751
227 HB2 LEU 36 HB2 LEU 36 5.564 1.424 -5.365
228 HB3 LEU 36 HB3 LEU 36 6.499 2.684 -6.136
229 HG LEU 36 HG LEU 36 5.613 2.742 -3.243
230 HD11 LEU 36 HD11 LEU 36 7.929 2.272 -2.706
231 HD12 LEU 36 HD12 LEU 36 8.309 2.100 -4.423
232 HD13 LEU 36 HD13 LEU 36 7.222 0.953 -3.637
233 HD21 LEU 36 HD21 LEU 36 7.530 4.501 -4.785
234 HD22 LEU 36 HD22 LEU 36 7.233 4.584 -3.050
235 HD23 LEU 36 HD23 LEU 36 5.941 4.976 -4.180
236 H1 MAN 101 H1 MAN 101 -5.860 7.742 -5.786
237 H2 MAN 101 H2 MAN 101 -8.162 9.721 -5.572
238 H3 MAN 101 H3 MAN 101 -7.256 10.890 -7.343
239 H4 MAN 101 H4 MAN 101 -5.732 8.376 -8.059
240 H5 MAN 101 H5 MAN 101 -8.786 8.655 -7.726
241 H61 MAN 101 H61 MAN 101 -7.115 6.706 -9.367
242 H62 MAN 101 H62 MAN 101 -8.512 7.649 -9.922
243 HO2 MAN 101 HO2 MAN 101 -5.394 9.958 -5.032
244 HO3 MAN 101 HO3 MAN 101 -5.005 10.900 -7.747
245 HO4 MAN 101 HO4 MAN 101 -6.664 8.953 -10.112
246 HO6 MAN 101 HO6 MAN 101 -8.432 5.351 -8.334
Start of MODEL 15
1 H1 THR 1 H1 THR 1 -8.877 6.567 -1.661
2 H2 THR 1 H2 THR 1 -9.378 6.453 -3.275
3 H3 THR 1 H3 THR 1 -8.429 7.735 -2.769
4 HA THR 1 HA THR 1 -7.477 4.953 -2.830
5 HB THR 1 HB THR 1 -5.902 5.996 -4.518
6 HG21 THR 1 HG21 THR 1 -8.846 5.733 -5.256
7 HG22 THR 1 HG22 THR 1 -7.695 4.413 -5.143
8 HG23 THR 1 HG23 THR 1 -7.504 5.631 -6.396
9 H GLN 2 H GLN 2 -5.290 4.769 -2.223
10 HA GLN 2 HA GLN 2 -4.352 6.762 -0.358
11 HB2 GLN 2 HB2 GLN 2 -4.078 4.214 -0.113
12 HB3 GLN 2 HB3 GLN 2 -2.882 4.333 -1.388
13 HG2 GLN 2 HG2 GLN 2 -1.665 4.340 0.632
14 HG3 GLN 2 HG3 GLN 2 -1.647 5.990 0.025
15 HE21 GLN 2 HE21 GLN 2 -4.376 4.467 1.639
16 HE22 GLN 2 HE22 GLN 2 -4.321 5.424 3.057
17 H SER 3 H SER 3 -2.707 8.178 -0.825
18 HA SER 3 HA SER 3 -2.127 8.600 -3.607
19 HB2 SER 3 HB2 SER 3 -1.243 10.148 -1.169
20 HB3 SER 3 HB3 SER 3 -1.166 10.700 -2.847
21 HG SER 3 HG SER 3 -3.555 10.114 -2.748
22 H HIS 4 H HIS 4 0.155 9.247 -4.192
23 HA HIS 4 HA HIS 4 1.890 7.076 -4.086
24 HB2 HIS 4 HB2 HIS 4 1.784 8.950 -5.786
25 HB3 HIS 4 HB3 HIS 4 2.601 9.968 -4.617
26 HD1 HIS 4 HD1 HIS 4 4.771 10.342 -5.802
27 HD2 HIS 4 HD2 HIS 4 3.725 6.333 -5.669
28 HE1 HIS 4 HE1 HIS 4 6.688 9.112 -6.844
29 HE2 HIS 4 HE2 HIS 4 5.905 6.756 -7.011
30 H TYR 5 H TYR 5 3.417 6.437 -2.670
31 HA TYR 5 HA TYR 5 4.782 6.265 -0.943
32 HB2 TYR 5 HB2 TYR 5 4.761 9.267 -0.986
33 HB3 TYR 5 HB3 TYR 5 5.530 8.410 0.335
34 HD1 TYR 5 HD1 TYR 5 7.671 7.470 0.086
35 HD2 TYR 5 HD2 TYR 5 5.598 8.889 -3.335
36 HE1 TYR 5 HE1 TYR 5 9.722 7.242 -1.241
37 HE2 TYR 5 HE2 TYR 5 7.640 8.659 -4.670
38 HH TYR 5 HH TYR 5 10.366 6.986 -3.555
39 H GLY 6 H GLY 6 1.732 6.683 -0.667
40 HA2 GLY 6 HA2 GLY 6 1.689 6.948 2.238
41 HA3 GLY 6 HA3 GLY 6 0.286 6.827 1.181
42 H GLN 7 H GLN 7 0.571 5.260 3.486
43 HA GLN 7 HA GLN 7 1.471 2.631 2.701
44 HB2 GLN 7 HB2 GLN 7 1.590 3.558 5.083
45 HB3 GLN 7 HB3 GLN 7 -0.157 3.419 5.123
46 HG2 GLN 7 HG2 GLN 7 -0.016 1.006 4.872
47 HG3 GLN 7 HG3 GLN 7 1.739 1.107 4.728
48 HE21 GLN 7 HE21 GLN 7 0.228 -0.390 6.726
49 HE22 GLN 7 HE22 GLN 7 0.690 0.260 8.245
50 H CYS 8 H CYS 8 0.249 1.646 1.220
51 HA CYS 8 HA CYS 8 -2.449 2.318 0.737
52 HB2 CYS 8 HB2 CYS 8 -2.282 0.302 -0.845
53 HB3 CYS 8 HB3 CYS 8 -1.271 1.706 -1.162
54 H GLY 9 H GLY 9 -1.081 -0.801 1.705
55 HA2 GLY 9 HA2 GLY 9 -3.070 -1.211 3.647
56 HA3 GLY 9 HA3 GLY 9 -3.583 -1.958 2.146
57 H GLY 10 H GLY 10 -1.122 -1.882 4.571
58 HA2 GLY 10 HA2 GLY 10 -0.315 -4.595 3.826
59 HA3 GLY 10 HA3 GLY 10 0.550 -3.535 4.945
60 H ILE 11 H ILE 11 0.109 -5.901 6.053
61 HA ILE 11 HA ILE 11 -2.453 -6.307 7.137
62 HB ILE 11 HB ILE 11 0.234 -7.237 8.225
63 HG12 ILE 11 HG12 ILE 11 -1.771 -8.669 6.463
64 HG13 ILE 11 HG13 ILE 11 -0.246 -7.988 5.918
65 HG21 ILE 11 HG21 ILE 11 -1.051 -8.968 9.420
66 HG22 ILE 11 HG22 ILE 11 -2.555 -8.254 8.840
67 HG23 ILE 11 HG23 ILE 11 -1.521 -7.349 9.944
68 HD11 ILE 11 HD11 ILE 11 -0.102 -10.398 6.202
69 HD12 ILE 11 HD12 ILE 11 -0.564 -10.236 7.897
70 HD13 ILE 11 HD13 ILE 11 0.967 -9.566 7.330
71 H GLY 12 H GLY 12 -3.521 -5.105 8.543
72 HA2 GLY 12 HA2 GLY 12 -3.623 -4.267 10.803
73 HA3 GLY 12 HA3 GLY 12 -1.984 -3.671 10.591
74 H TYR 13 H TYR 13 -3.004 -2.932 7.733
75 HA TYR 13 HA TYR 13 -4.006 -0.299 8.570
76 HB2 TYR 13 HB2 TYR 13 -1.919 -0.458 7.121
77 HB3 TYR 13 HB3 TYR 13 -2.936 -1.122 5.849
78 HD1 TYR 13 HD1 TYR 13 -2.018 1.876 7.713
79 HD2 TYR 13 HD2 TYR 13 -4.528 0.325 4.652
80 HE1 TYR 13 HE1 TYR 13 -2.545 4.163 6.995
81 HE2 TYR 13 HE2 TYR 13 -5.061 2.610 3.927
82 HH TYR 13 HH TYR 13 -3.298 5.280 4.962
83 H SER 14 H SER 14 -6.069 0.383 7.895
84 HA SER 14 HA SER 14 -7.519 -1.520 6.219
85 HB2 SER 14 HB2 SER 14 -9.446 -1.218 7.835
86 HB3 SER 14 HB3 SER 14 -8.083 -2.185 8.401
87 HG SER 14 HG SER 14 -8.938 0.349 9.160
88 H GLY 15 H GLY 15 -6.488 1.441 6.098
89 HA2 GLY 15 HA2 GLY 15 -8.953 2.881 5.563
90 HA3 GLY 15 HA3 GLY 15 -7.321 3.506 5.385
91 HA PRO 16 HA PRO 16 -8.825 2.923 1.076
92 HB2 PRO 16 HB2 PRO 16 -7.201 4.877 0.006
93 HB3 PRO 16 HB3 PRO 16 -8.822 5.182 0.632
94 HG2 PRO 16 HG2 PRO 16 -6.177 5.665 1.902
95 HG3 PRO 16 HG3 PRO 16 -7.659 6.620 2.007
96 HD2 PRO 16 HD2 PRO 16 -6.791 4.950 3.981
97 HD3 PRO 16 HD3 PRO 16 -8.502 5.337 3.722
98 H THR 17 H THR 17 -7.957 1.014 0.578
99 HA THR 17 HA THR 17 -5.135 0.496 0.708
100 HB THR 17 HB THR 17 -6.035 -1.806 0.052
101 HG1 THR 17 HG1 THR 17 -8.412 -1.714 0.821
102 HG21 THR 17 HG21 THR 17 -6.821 -2.228 2.336
103 HG22 THR 17 HG22 THR 17 -7.070 -0.500 2.582
104 HG23 THR 17 HG23 THR 17 -5.442 -1.129 2.381
105 H VAL 18 H VAL 18 -7.302 1.469 -1.741
106 HA VAL 18 HA VAL 18 -5.669 0.262 -3.828
107 HB VAL 18 HB VAL 18 -8.103 2.070 -4.103
108 HG11 VAL 18 HG11 VAL 18 -6.661 2.144 -6.085
109 HG12 VAL 18 HG12 VAL 18 -8.174 1.310 -6.432
110 HG13 VAL 18 HG13 VAL 18 -6.697 0.384 -6.180
111 HG21 VAL 18 HG21 VAL 18 -9.300 -0.001 -4.715
112 HG22 VAL 18 HG22 VAL 18 -8.709 0.002 -3.052
113 HG23 VAL 18 HG23 VAL 18 -7.856 -0.924 -4.286
114 H CYS 19 H CYS 19 -4.158 1.346 -4.883
115 HA CYS 19 HA CYS 19 -3.406 3.912 -3.859
116 HB2 CYS 19 HB2 CYS 19 -2.150 2.132 -5.928
117 HB3 CYS 19 HB3 CYS 19 -1.456 3.652 -5.365
118 H ALA 20 H ALA 20 -2.775 5.649 -5.248
119 HA ALA 20 HA ALA 20 -4.814 6.581 -6.897
120 HB1 ALA 20 HB1 ALA 20 -3.325 8.419 -7.415
121 HB2 ALA 20 HB2 ALA 20 -1.946 7.497 -6.824
122 HB3 ALA 20 HB3 ALA 20 -3.188 8.031 -5.698
123 H SER 21 H SER 21 -4.823 7.058 -9.089
124 HA SER 21 HA SER 21 -4.242 4.913 -10.730
125 HB2 SER 21 HB2 SER 21 -4.740 7.784 -11.497
126 HB3 SER 21 HB3 SER 21 -5.093 6.340 -12.464
127 HG SER 21 HG SER 21 -6.303 5.786 -10.365
128 H GLY 22 H GLY 22 -2.300 4.263 -11.315
129 HA2 GLY 22 HA2 GLY 22 -0.396 4.672 -12.740
130 HA3 GLY 22 HA3 GLY 22 -0.286 6.276 -12.018
131 H THR 23 H THR 23 -1.004 4.742 -9.414
132 HA THR 23 HA THR 23 1.764 3.954 -8.904
133 HB THR 23 HB THR 23 1.373 4.524 -6.512
134 HG1 THR 23 HG1 THR 23 -1.198 4.938 -7.485
135 HG21 THR 23 HG21 THR 23 2.353 6.203 -7.992
136 HG22 THR 23 HG22 THR 23 1.326 6.960 -6.773
137 HG23 THR 23 HG23 THR 23 0.740 6.772 -8.426
138 H THR 24 H THR 24 2.141 2.087 -7.631
139 HA THR 24 HA THR 24 -0.200 0.344 -7.430
140 HB THR 24 HB THR 24 1.437 -1.567 -7.719
141 HG1 THR 24 HG1 THR 24 3.245 0.503 -7.828
142 HG21 THR 24 HG21 THR 24 1.515 -1.364 -10.172
143 HG22 THR 24 HG22 THR 24 1.100 0.346 -10.032
144 HG23 THR 24 HG23 THR 24 -0.054 -0.885 -9.523
145 H CYS 25 H CYS 25 -0.327 -1.048 -5.648
146 HA CYS 25 HA CYS 25 0.914 -0.008 -3.278
147 HB2 CYS 25 HB2 CYS 25 -1.459 -0.734 -3.216
148 HB3 CYS 25 HB3 CYS 25 -0.974 -2.366 -3.668
149 H GLN 26 H GLN 26 3.013 -0.479 -3.123
150 HA GLN 26 HA GLN 26 3.859 -3.158 -3.833
151 HB2 GLN 26 HB2 GLN 26 5.510 -0.697 -3.256
152 HB3 GLN 26 HB3 GLN 26 6.159 -2.264 -3.720
153 HG2 GLN 26 HG2 GLN 26 4.832 -2.083 -5.841
154 HG3 GLN 26 HG3 GLN 26 4.448 -0.425 -5.379
155 HE21 GLN 26 HE21 GLN 26 5.506 0.490 -7.104
156 HE22 GLN 26 HE22 GLN 26 7.221 0.466 -7.253
157 H VAL 27 H VAL 27 4.531 -4.554 -2.414
158 HA VAL 27 HA VAL 27 4.038 -3.953 0.370
159 HB VAL 27 HB VAL 27 4.857 -6.587 -0.882
160 HG11 VAL 27 HG11 VAL 27 3.863 -7.601 1.122
161 HG12 VAL 27 HG12 VAL 27 3.551 -5.990 1.764
162 HG13 VAL 27 HG13 VAL 27 5.210 -6.530 1.509
163 HG21 VAL 27 HG21 VAL 27 2.809 -5.864 -1.930
164 HG22 VAL 27 HG22 VAL 27 2.089 -5.518 -0.365
165 HG23 VAL 27 HG23 VAL 27 2.449 -7.186 -0.817
166 H LEU 28 H LEU 28 5.736 -2.798 1.138
167 HA LEU 28 HA LEU 28 8.452 -3.532 0.486
168 HB2 LEU 28 HB2 LEU 28 7.471 -1.567 2.561
169 HB3 LEU 28 HB3 LEU 28 9.112 -1.710 1.978
170 HG LEU 28 HG LEU 28 6.721 -0.689 0.439
171 HD11 LEU 28 HD11 LEU 28 7.940 1.409 0.404
172 HD12 LEU 28 HD12 LEU 28 9.255 0.667 1.313
173 HD13 LEU 28 HD13 LEU 28 7.675 0.860 2.062
174 HD21 LEU 28 HD21 LEU 28 9.562 -1.059 -0.498
175 HD22 LEU 28 HD22 LEU 28 8.288 -0.204 -1.366
176 HD23 LEU 28 HD23 LEU 28 8.146 -1.943 -1.086
177 H ASN 29 H ASN 29 6.274 -3.679 3.217
178 HA ASN 29 HA ASN 29 7.870 -5.819 4.414
179 HB2 ASN 29 HB2 ASN 29 6.596 -3.483 5.903
180 HB3 ASN 29 HB3 ASN 29 7.261 -4.920 6.661
181 HD21 ASN 29 HD21 ASN 29 7.939 -2.179 7.090
182 HD22 ASN 29 HD22 ASN 29 9.616 -2.012 6.725
183 HA PRO 30 HA PRO 30 3.887 -7.833 4.659
184 HB2 PRO 30 HB2 PRO 30 4.232 -8.104 7.610
185 HB3 PRO 30 HB3 PRO 30 3.879 -9.353 6.412
186 HG2 PRO 30 HG2 PRO 30 6.306 -9.189 7.437
187 HG3 PRO 30 HG3 PRO 30 6.104 -9.467 5.694
188 HD2 PRO 30 HD2 PRO 30 6.785 -6.939 7.142
189 HD3 PRO 30 HD3 PRO 30 7.490 -7.579 5.647
190 H TYR 31 H TYR 31 4.555 -5.378 7.098
191 HA TYR 31 HA TYR 31 1.658 -4.909 7.332
192 HB2 TYR 31 HB2 TYR 31 3.854 -3.788 9.082
193 HB3 TYR 31 HB3 TYR 31 2.124 -3.786 9.408
194 HD1 TYR 31 HD1 TYR 31 5.197 -5.557 9.827
195 HD2 TYR 31 HD2 TYR 31 0.988 -6.062 9.690
196 HE1 TYR 31 HE1 TYR 31 5.430 -7.739 10.940
197 HE2 TYR 31 HE2 TYR 31 1.204 -8.242 10.801
198 HH TYR 31 HH TYR 31 3.950 -9.248 12.357
199 H TYR 32 H TYR 32 4.667 -3.437 6.274
200 HA TYR 32 HA TYR 32 3.162 -1.013 5.703
201 HB2 TYR 32 HB2 TYR 32 5.323 -0.681 6.949
202 HB3 TYR 32 HB3 TYR 32 6.174 -1.289 5.535
203 HD1 TYR 32 HD1 TYR 32 6.648 0.138 3.713
204 HD2 TYR 32 HD2 TYR 32 3.914 1.398 6.707
205 HE1 TYR 32 HE1 TYR 32 6.585 2.386 2.707
206 HE2 TYR 32 HE2 TYR 32 3.849 3.642 5.721
207 HH TYR 32 HH TYR 32 5.213 5.051 4.312
208 H SER 33 H SER 33 2.340 -0.871 3.827
209 HA SER 33 HA SER 33 3.866 -1.810 1.528
210 HB2 SER 33 HB2 SER 33 0.859 -1.815 1.934
211 HB3 SER 33 HB3 SER 33 1.692 -2.385 0.491
212 HG SER 33 HG SER 33 2.774 -3.625 2.574
213 H GLN 34 H GLN 34 3.922 -0.261 -0.170
214 HA GLN 34 HA GLN 34 2.791 2.345 0.590
215 HB2 GLN 34 HB2 GLN 34 5.167 2.207 1.196
216 HB3 GLN 34 HB3 GLN 34 5.572 1.820 -0.466
217 HG2 GLN 34 HG2 GLN 34 4.794 3.994 -1.177
218 HG3 GLN 34 HG3 GLN 34 4.313 4.385 0.475
219 HE21 GLN 34 HE21 GLN 34 5.934 4.800 2.002
220 HE22 GLN 34 HE22 GLN 34 7.543 5.194 1.508
221 H CYS 35 H CYS 35 1.997 3.554 -1.029
222 HA CYS 35 HA CYS 35 1.575 2.331 -3.577
223 HB2 CYS 35 HB2 CYS 35 0.856 5.073 -2.564
224 HB3 CYS 35 HB3 CYS 35 0.411 4.463 -4.150
225 H LEU 36 H LEU 36 3.205 2.148 -4.832
226 HA LEU 36 HA LEU 36 4.639 4.536 -5.672
227 HB2 LEU 36 HB2 LEU 36 5.766 1.767 -5.238
228 HB3 LEU 36 HB3 LEU 36 6.621 3.072 -6.026
229 HG LEU 36 HG LEU 36 5.729 3.094 -3.145
230 HD11 LEU 36 HD11 LEU 36 8.456 2.628 -4.348
231 HD12 LEU 36 HD12 LEU 36 7.449 1.418 -3.549
232 HD13 LEU 36 HD13 LEU 36 8.089 2.781 -2.628
233 HD21 LEU 36 HD21 LEU 36 5.890 5.326 -4.126
234 HD22 LEU 36 HD22 LEU 36 7.513 4.960 -4.708
235 HD23 LEU 36 HD23 LEU 36 7.195 5.046 -2.978
236 H1 MAN 101 H1 MAN 101 -5.257 7.856 -5.525
237 H2 MAN 101 H2 MAN 101 -5.986 10.009 -4.516
238 H3 MAN 101 H3 MAN 101 -8.326 9.998 -5.241
239 H4 MAN 101 H4 MAN 101 -7.067 10.244 -7.991
240 H5 MAN 101 H5 MAN 101 -8.720 8.023 -6.647
241 H61 MAN 101 H61 MAN 101 -8.198 6.760 -8.744
242 H62 MAN 101 H62 MAN 101 -7.657 8.263 -9.519
243 HO2 MAN 101 HO2 MAN 101 -5.325 11.224 -6.297
244 HO3 MAN 101 HO3 MAN 101 -8.237 12.135 -6.227
245 HO4 MAN 101 HO4 MAN 101 -9.801 10.287 -7.139
246 HO6 MAN 101 HO6 MAN 101 -9.757 9.085 -9.354
Start of MODEL 16
1 H1 THR 1 H1 THR 1 -9.319 7.755 -3.010
2 H2 THR 1 H2 THR 1 -8.095 8.831 -2.539
3 H3 THR 1 H3 THR 1 -8.701 7.754 -1.423
4 HA THR 1 HA THR 1 -7.736 5.922 -2.650
5 HB THR 1 HB THR 1 -6.068 6.555 -4.402
6 HG21 THR 1 HG21 THR 1 -8.312 5.682 -5.001
7 HG22 THR 1 HG22 THR 1 -7.752 6.826 -6.206
8 HG23 THR 1 HG23 THR 1 -8.949 7.324 -5.009
9 H GLN 2 H GLN 2 -5.353 5.466 -2.446
10 HA GLN 2 HA GLN 2 -4.177 7.136 -0.378
11 HB2 GLN 2 HB2 GLN 2 -4.213 4.568 -0.283
12 HB3 GLN 2 HB3 GLN 2 -3.040 4.605 -1.591
13 HG2 GLN 2 HG2 GLN 2 -1.795 4.382 0.409
14 HG3 GLN 2 HG3 GLN 2 -1.595 6.038 -0.149
15 HE21 GLN 2 HE21 GLN 2 -4.424 4.724 1.499
16 HE22 GLN 2 HE22 GLN 2 -4.267 5.690 2.905
17 H SER 3 H SER 3 -2.333 8.369 -0.768
18 HA SER 3 HA SER 3 -1.794 9.013 -3.503
19 HB2 SER 3 HB2 SER 3 -0.532 10.049 -0.964
20 HB3 SER 3 HB3 SER 3 -0.514 10.818 -2.553
21 HG SER 3 HG SER 3 -2.731 11.073 -2.420
22 H HIS 4 H HIS 4 0.532 9.370 -4.116
23 HA HIS 4 HA HIS 4 2.015 6.967 -4.141
24 HB2 HIS 4 HB2 HIS 4 1.964 8.816 -5.886
25 HB3 HIS 4 HB3 HIS 4 2.924 9.789 -4.792
26 HD1 HIS 4 HD1 HIS 4 5.075 9.965 -6.025
27 HD2 HIS 4 HD2 HIS 4 3.670 6.071 -5.905
28 HE1 HIS 4 HE1 HIS 4 6.832 8.584 -7.160
29 HE2 HIS 4 HE2 HIS 4 5.751 6.364 -7.410
30 H TYR 5 H TYR 5 3.731 6.345 -2.851
31 HA TYR 5 HA TYR 5 5.102 6.178 -1.105
32 HB2 TYR 5 HB2 TYR 5 5.031 9.208 -1.080
33 HB3 TYR 5 HB3 TYR 5 5.989 8.268 0.052
34 HD1 TYR 5 HD1 TYR 5 7.796 6.767 -0.864
35 HD2 TYR 5 HD2 TYR 5 5.833 9.682 -3.232
36 HE1 TYR 5 HE1 TYR 5 9.657 6.699 -2.467
37 HE2 TYR 5 HE2 TYR 5 7.679 9.627 -4.846
38 HH TYR 5 HH TYR 5 10.070 7.197 -4.779
39 H GLY 6 H GLY 6 2.065 6.673 -0.896
40 HA2 GLY 6 HA2 GLY 6 1.915 7.092 1.971
41 HA3 GLY 6 HA3 GLY 6 0.559 6.950 0.856
42 H GLN 7 H GLN 7 0.875 5.514 3.283
43 HA GLN 7 HA GLN 7 1.617 2.826 2.577
44 HB2 GLN 7 HB2 GLN 7 1.898 3.532 4.902
45 HB3 GLN 7 HB3 GLN 7 0.191 3.921 5.015
46 HG2 GLN 7 HG2 GLN 7 -0.323 1.507 4.634
47 HG3 GLN 7 HG3 GLN 7 1.405 1.177 4.723
48 HE21 GLN 7 HE21 GLN 7 1.034 -0.193 6.603
49 HE22 GLN 7 HE22 GLN 7 0.645 0.515 8.097
50 H CYS 8 H CYS 8 0.383 1.955 1.060
51 HA CYS 8 HA CYS 8 -2.365 2.466 0.672
52 HB2 CYS 8 HB2 CYS 8 -2.216 0.400 -0.795
53 HB3 CYS 8 HB3 CYS 8 -1.168 1.749 -1.214
54 H GLY 9 H GLY 9 -0.671 -0.291 2.085
55 HA2 GLY 9 HA2 GLY 9 -2.197 -0.662 4.225
56 HA3 GLY 9 HA3 GLY 9 -3.223 -1.317 2.959
57 H GLY 10 H GLY 10 -0.758 -1.861 5.119
58 HA2 GLY 10 HA2 GLY 10 -0.049 -4.377 3.844
59 HA3 GLY 10 HA3 GLY 10 0.797 -3.647 5.206
60 H ILE 11 H ILE 11 0.475 -5.754 6.261
61 HA ILE 11 HA ILE 11 -2.039 -6.838 6.778
62 HB ILE 11 HB ILE 11 0.494 -7.069 8.435
63 HG12 ILE 11 HG12 ILE 11 -0.695 -8.923 6.352
64 HG13 ILE 11 HG13 ILE 11 0.693 -7.870 6.104
65 HG21 ILE 11 HG21 ILE 11 -2.010 -8.761 8.542
66 HG22 ILE 11 HG22 ILE 11 -1.441 -7.652 9.791
67 HG23 ILE 11 HG23 ILE 11 -0.504 -9.096 9.403
68 HD11 ILE 11 HD11 ILE 11 1.944 -9.138 7.782
69 HD12 ILE 11 HD12 ILE 11 1.372 -10.175 6.474
70 HD13 ILE 11 HD13 ILE 11 0.546 -10.184 8.031
71 H GLY 12 H GLY 12 -3.679 -6.148 7.972
72 HA2 GLY 12 HA2 GLY 12 -4.643 -5.481 10.035
73 HA3 GLY 12 HA3 GLY 12 -3.149 -4.657 10.435
74 H TYR 13 H TYR 13 -3.319 -3.575 7.536
75 HA TYR 13 HA TYR 13 -4.619 -1.136 8.380
76 HB2 TYR 13 HB2 TYR 13 -2.417 -1.167 7.171
77 HB3 TYR 13 HB3 TYR 13 -3.259 -1.777 5.755
78 HD1 TYR 13 HD1 TYR 13 -2.322 1.093 7.680
79 HD2 TYR 13 HD2 TYR 13 -4.935 -0.231 4.608
80 HE1 TYR 13 HE1 TYR 13 -2.637 3.407 6.952
81 HE2 TYR 13 HE2 TYR 13 -5.256 2.095 3.874
82 HH TYR 13 HH TYR 13 -3.224 4.533 4.856
83 H SER 14 H SER 14 -6.756 -0.982 8.179
84 HA SER 14 HA SER 14 -8.106 -2.358 5.990
85 HB2 SER 14 HB2 SER 14 -10.103 -1.979 7.578
86 HB3 SER 14 HB3 SER 14 -8.896 -3.188 8.035
87 HG SER 14 HG SER 14 -9.437 -0.680 9.172
88 H GLY 15 H GLY 15 -6.835 0.475 6.315
89 HA2 GLY 15 HA2 GLY 15 -9.087 2.236 5.838
90 HA3 GLY 15 HA3 GLY 15 -7.391 2.687 5.850
91 HA PRO 16 HA PRO 16 -8.797 2.834 1.485
92 HB2 PRO 16 HB2 PRO 16 -7.271 4.985 0.769
93 HB3 PRO 16 HB3 PRO 16 -8.889 5.123 1.465
94 HG2 PRO 16 HG2 PRO 16 -6.231 5.452 2.771
95 HG3 PRO 16 HG3 PRO 16 -7.740 6.341 3.034
96 HD2 PRO 16 HD2 PRO 16 -6.820 4.368 4.688
97 HD3 PRO 16 HD3 PRO 16 -8.539 4.785 4.515
98 H THR 17 H THR 17 -7.852 1.034 0.772
99 HA THR 17 HA THR 17 -4.992 0.730 0.646
100 HB THR 17 HB THR 17 -5.693 -1.577 -0.194
101 HG1 THR 17 HG1 THR 17 -7.749 -1.469 -0.791
102 HG21 THR 17 HG21 THR 17 -6.682 -0.694 2.527
103 HG22 THR 17 HG22 THR 17 -5.019 -1.116 2.135
104 HG23 THR 17 HG23 THR 17 -6.278 -2.349 2.062
105 H VAL 18 H VAL 18 -7.309 1.996 -1.390
106 HA VAL 18 HA VAL 18 -6.173 0.918 -3.841
107 HB VAL 18 HB VAL 18 -8.310 3.030 -3.550
108 HG11 VAL 18 HG11 VAL 18 -7.589 1.278 -5.886
109 HG12 VAL 18 HG12 VAL 18 -7.299 3.012 -5.742
110 HG13 VAL 18 HG13 VAL 18 -8.951 2.400 -5.833
111 HG21 VAL 18 HG21 VAL 18 -9.961 1.247 -3.921
112 HG22 VAL 18 HG22 VAL 18 -9.054 1.006 -2.424
113 HG23 VAL 18 HG23 VAL 18 -8.670 0.049 -3.852
114 H CYS 19 H CYS 19 -4.339 1.807 -4.508
115 HA CYS 19 HA CYS 19 -3.504 4.420 -3.726
116 HB2 CYS 19 HB2 CYS 19 -2.329 2.524 -5.761
117 HB3 CYS 19 HB3 CYS 19 -1.553 3.973 -5.147
118 H ALA 20 H ALA 20 -2.686 5.956 -5.362
119 HA ALA 20 HA ALA 20 -4.643 6.939 -7.081
120 HB1 ALA 20 HB1 ALA 20 -2.885 8.415 -7.904
121 HB2 ALA 20 HB2 ALA 20 -1.656 7.377 -7.182
122 HB3 ALA 20 HB3 ALA 20 -2.767 8.269 -6.148
123 H SER 21 H SER 21 -4.947 6.739 -9.280
124 HA SER 21 HA SER 21 -4.332 4.304 -10.454
125 HB2 SER 21 HB2 SER 21 -5.138 6.886 -11.795
126 HB3 SER 21 HB3 SER 21 -5.451 5.238 -12.356
127 HG SER 21 HG SER 21 -7.217 6.293 -11.265
128 H GLY 22 H GLY 22 -2.468 3.666 -11.320
129 HA2 GLY 22 HA2 GLY 22 -0.676 4.060 -12.907
130 HA3 GLY 22 HA3 GLY 22 -0.611 5.717 -12.305
131 H THR 23 H THR 23 -1.028 4.594 -9.522
132 HA THR 23 HA THR 23 1.746 3.731 -9.110
133 HB THR 23 HB THR 23 1.488 4.425 -6.740
134 HG1 THR 23 HG1 THR 23 -1.154 4.787 -7.536
135 HG21 THR 23 HG21 THR 23 1.349 6.828 -7.037
136 HG22 THR 23 HG22 THR 23 0.688 6.604 -8.665
137 HG23 THR 23 HG23 THR 23 2.335 6.080 -8.292
138 H THR 24 H THR 24 2.107 1.893 -7.755
139 HA THR 24 HA THR 24 -0.312 0.271 -7.450
140 HB THR 24 HB THR 24 1.160 -1.722 -7.785
141 HG1 THR 24 HG1 THR 24 3.097 0.258 -7.909
142 HG21 THR 24 HG21 THR 24 1.073 0.255 -10.067
143 HG22 THR 24 HG22 THR 24 -0.205 -0.877 -9.627
144 HG23 THR 24 HG23 THR 24 1.343 -1.478 -10.226
145 H CYS 25 H CYS 25 -0.626 -0.728 -5.554
146 HA CYS 25 HA CYS 25 0.925 0.017 -3.294
147 HB2 CYS 25 HB2 CYS 25 -1.484 -0.510 -3.098
148 HB3 CYS 25 HB3 CYS 25 -1.157 -2.160 -3.616
149 H GLN 26 H GLN 26 2.895 -0.727 -3.009
150 HA GLN 26 HA GLN 26 3.437 -3.493 -3.730
151 HB2 GLN 26 HB2 GLN 26 5.205 -1.068 -3.807
152 HB3 GLN 26 HB3 GLN 26 5.873 -2.697 -3.792
153 HG2 GLN 26 HG2 GLN 26 4.679 -3.240 -5.836
154 HG3 GLN 26 HG3 GLN 26 3.923 -1.654 -5.831
155 HE21 GLN 26 HE21 GLN 26 5.022 0.073 -6.618
156 HE22 GLN 26 HE22 GLN 26 6.573 -0.033 -7.332
157 H VAL 27 H VAL 27 4.315 -4.826 -2.333
158 HA VAL 27 HA VAL 27 4.040 -4.072 0.438
159 HB VAL 27 HB VAL 27 4.777 -6.765 -0.735
160 HG11 VAL 27 HG11 VAL 27 4.020 -7.673 1.420
161 HG12 VAL 27 HG12 VAL 27 3.757 -6.031 2.011
162 HG13 VAL 27 HG13 VAL 27 5.387 -6.572 1.607
163 HG21 VAL 27 HG21 VAL 27 2.079 -5.697 0.070
164 HG22 VAL 27 HG22 VAL 27 2.409 -7.368 -0.386
165 HG23 VAL 27 HG23 VAL 27 2.607 -6.073 -1.569
166 H LEU 28 H LEU 28 5.741 -2.837 0.983
167 HA LEU 28 HA LEU 28 8.459 -3.612 0.392
168 HB2 LEU 28 HB2 LEU 28 7.413 -1.577 2.373
169 HB3 LEU 28 HB3 LEU 28 9.075 -1.750 1.863
170 HG LEU 28 HG LEU 28 6.779 -0.829 0.121
171 HD11 LEU 28 HD11 LEU 28 9.128 0.652 1.287
172 HD12 LEU 28 HD12 LEU 28 7.449 0.776 1.800
173 HD13 LEU 28 HD13 LEU 28 7.919 1.319 0.187
174 HD21 LEU 28 HD21 LEU 28 8.452 -2.032 -1.175
175 HD22 LEU 28 HD22 LEU 28 9.714 -1.025 -0.429
176 HD23 LEU 28 HD23 LEU 28 8.508 -0.285 -1.484
177 H ASN 29 H ASN 29 6.476 -3.289 3.282
178 HA ASN 29 HA ASN 29 8.070 -5.351 4.629
179 HB2 ASN 29 HB2 ASN 29 6.732 -2.887 5.800
180 HB3 ASN 29 HB3 ASN 29 7.508 -4.152 6.730
181 HD21 ASN 29 HD21 ASN 29 8.031 -1.291 6.598
182 HD22 ASN 29 HD22 ASN 29 9.686 -1.139 6.164
183 HA PRO 30 HA PRO 30 4.192 -7.473 5.300
184 HB2 PRO 30 HB2 PRO 30 4.511 -7.184 8.243
185 HB3 PRO 30 HB3 PRO 30 4.233 -8.642 7.287
186 HG2 PRO 30 HG2 PRO 30 6.630 -8.148 8.284
187 HG3 PRO 30 HG3 PRO 30 6.471 -8.794 6.638
188 HD2 PRO 30 HD2 PRO 30 7.052 -6.013 7.547
189 HD3 PRO 30 HD3 PRO 30 7.751 -6.919 6.186
190 H TYR 31 H TYR 31 4.609 -4.761 7.601
191 HA TYR 31 HA TYR 31 1.716 -4.398 7.479
192 HB2 TYR 31 HB2 TYR 31 3.717 -3.113 9.357
193 HB3 TYR 31 HB3 TYR 31 1.967 -3.000 9.452
194 HD1 TYR 31 HD1 TYR 31 4.876 -5.071 10.181
195 HD2 TYR 31 HD2 TYR 31 0.636 -4.973 10.056
196 HE1 TYR 31 HE1 TYR 31 4.786 -7.111 11.556
197 HE2 TYR 31 HE2 TYR 31 0.530 -6.980 11.417
198 HH TYR 31 HH TYR 31 1.805 -8.807 12.028
199 H TYR 32 H TYR 32 4.713 -2.954 6.521
200 HA TYR 32 HA TYR 32 3.229 -0.586 5.700
201 HB2 TYR 32 HB2 TYR 32 5.350 -0.204 6.976
202 HB3 TYR 32 HB3 TYR 32 6.231 -0.948 5.647
203 HD1 TYR 32 HD1 TYR 32 6.904 0.341 3.767
204 HD2 TYR 32 HD2 TYR 32 3.951 1.867 6.436
205 HE1 TYR 32 HE1 TYR 32 6.952 2.493 2.599
206 HE2 TYR 32 HE2 TYR 32 4.007 4.020 5.271
207 HH TYR 32 HH TYR 32 5.523 5.309 3.846
208 H SER 33 H SER 33 2.431 -0.633 3.815
209 HA SER 33 HA SER 33 3.964 -1.748 1.608
210 HB2 SER 33 HB2 SER 33 0.961 -1.710 2.052
211 HB3 SER 33 HB3 SER 33 1.736 -2.348 0.612
212 HG SER 33 HG SER 33 2.857 -3.488 2.750
213 H GLN 34 H GLN 34 3.982 -0.326 -0.210
214 HA GLN 34 HA GLN 34 2.990 2.360 0.452
215 HB2 GLN 34 HB2 GLN 34 5.375 2.158 0.969
216 HB3 GLN 34 HB3 GLN 34 5.691 1.627 -0.673
217 HG2 GLN 34 HG2 GLN 34 5.042 3.786 -1.526
218 HG3 GLN 34 HG3 GLN 34 4.612 4.327 0.098
219 HE21 GLN 34 HE21 GLN 34 6.278 4.739 1.583
220 HE22 GLN 34 HE22 GLN 34 7.889 5.021 1.061
221 H CYS 35 H CYS 35 2.190 3.528 -1.196
222 HA CYS 35 HA CYS 35 1.633 2.225 -3.694
223 HB2 CYS 35 HB2 CYS 35 1.141 5.071 -2.827
224 HB3 CYS 35 HB3 CYS 35 0.513 4.353 -4.301
225 H LEU 36 H LEU 36 3.189 2.008 -5.078
226 HA LEU 36 HA LEU 36 4.743 4.335 -5.879
227 HB2 LEU 36 HB2 LEU 36 5.713 1.499 -5.518
228 HB3 LEU 36 HB3 LEU 36 6.611 2.726 -6.383
229 HG LEU 36 HG LEU 36 5.893 2.864 -3.455
230 HD11 LEU 36 HD11 LEU 36 8.517 2.204 -4.795
231 HD12 LEU 36 HD12 LEU 36 7.484 1.073 -3.914
232 HD13 LEU 36 HD13 LEU 36 8.252 2.409 -3.063
233 HD21 LEU 36 HD21 LEU 36 7.504 4.717 -3.420
234 HD22 LEU 36 HD22 LEU 36 6.138 5.065 -4.473
235 HD23 LEU 36 HD23 LEU 36 7.689 4.586 -5.169
236 H1 MAN 101 H1 MAN 101 -4.902 8.169 -5.397
237 H2 MAN 101 H2 MAN 101 -4.881 10.421 -4.274
238 H3 MAN 101 H3 MAN 101 -7.074 11.236 -4.883
239 H4 MAN 101 H4 MAN 101 -5.994 11.148 -7.735
240 H5 MAN 101 H5 MAN 101 -8.197 9.541 -6.330
241 H61 MAN 101 H61 MAN 101 -7.140 9.459 -9.178
242 H62 MAN 101 H62 MAN 101 -8.771 9.985 -8.697
243 HO2 MAN 101 HO2 MAN 101 -4.384 10.298 -7.097
244 HO3 MAN 101 HO3 MAN 101 -4.985 12.605 -6.283
245 HO4 MAN 101 HO4 MAN 101 -7.360 12.904 -7.210
246 HO6 MAN 101 HO6 MAN 101 -7.719 7.410 -8.014
Start of MODEL 17
1 H1 THR 1 H1 THR 1 -8.665 6.742 -1.570
2 H2 THR 1 H2 THR 1 -9.345 7.057 -3.079
3 H3 THR 1 H3 THR 1 -8.352 8.209 -2.314
4 HA THR 1 HA THR 1 -7.415 5.575 -3.204
5 HB THR 1 HB THR 1 -6.093 6.901 -4.841
6 HG21 THR 1 HG21 THR 1 -9.105 7.235 -5.092
7 HG22 THR 1 HG22 THR 1 -8.201 5.798 -5.568
8 HG23 THR 1 HG23 THR 1 -7.978 7.324 -6.436
9 H GLN 2 H GLN 2 -5.321 5.150 -2.564
10 HA GLN 2 HA GLN 2 -4.171 6.994 -0.646
11 HB2 GLN 2 HB2 GLN 2 -4.282 4.563 -0.109
12 HB3 GLN 2 HB3 GLN 2 -3.261 4.233 -1.501
13 HG2 GLN 2 HG2 GLN 2 -1.987 4.208 0.574
14 HG3 GLN 2 HG3 GLN 2 -1.451 5.495 -0.502
15 HE21 GLN 2 HE21 GLN 2 -3.002 4.727 2.445
16 HE22 GLN 2 HE22 GLN 2 -3.043 6.314 3.120
17 H SER 3 H SER 3 -2.487 8.219 -1.121
18 HA SER 3 HA SER 3 -1.783 8.450 -3.894
19 HB2 SER 3 HB2 SER 3 -0.956 10.102 -1.510
20 HB3 SER 3 HB3 SER 3 -0.801 10.554 -3.212
21 HG SER 3 HG SER 3 -3.058 10.402 -3.388
22 H HIS 4 H HIS 4 0.560 9.063 -4.325
23 HA HIS 4 HA HIS 4 2.225 6.833 -4.050
24 HB2 HIS 4 HB2 HIS 4 2.286 8.602 -5.838
25 HB3 HIS 4 HB3 HIS 4 3.025 9.685 -4.672
26 HD1 HIS 4 HD1 HIS 4 5.446 9.884 -5.218
27 HD2 HIS 4 HD2 HIS 4 4.028 6.039 -5.831
28 HE1 HIS 4 HE1 HIS 4 7.414 8.556 -6.022
29 HE2 HIS 4 HE2 HIS 4 6.487 6.333 -6.610
30 H TYR 5 H TYR 5 3.573 6.231 -2.482
31 HA TYR 5 HA TYR 5 4.806 6.151 -0.642
32 HB2 TYR 5 HB2 TYR 5 4.875 9.121 -0.941
33 HB3 TYR 5 HB3 TYR 5 5.380 8.426 0.597
34 HD1 TYR 5 HD1 TYR 5 6.027 8.254 -3.058
35 HD2 TYR 5 HD2 TYR 5 7.538 7.606 0.849
36 HE1 TYR 5 HE1 TYR 5 8.248 7.817 -3.996
37 HE2 TYR 5 HE2 TYR 5 9.770 7.164 -0.076
38 HH TYR 5 HH TYR 5 10.535 7.900 -3.302
39 H GLY 6 H GLY 6 1.768 6.589 -0.724
40 HA2 GLY 6 HA2 GLY 6 1.420 6.894 2.147
41 HA3 GLY 6 HA3 GLY 6 0.139 6.778 0.937
42 H GLN 7 H GLN 7 0.212 5.211 3.262
43 HA GLN 7 HA GLN 7 1.196 2.594 2.520
44 HB2 GLN 7 HB2 GLN 7 1.256 3.515 4.865
45 HB3 GLN 7 HB3 GLN 7 -0.501 3.394 4.868
46 HG2 GLN 7 HG2 GLN 7 -0.386 0.998 4.674
47 HG3 GLN 7 HG3 GLN 7 1.374 1.066 4.536
48 HE21 GLN 7 HE21 GLN 7 -0.197 -0.316 6.554
49 HE22 GLN 7 HE22 GLN 7 0.246 0.388 8.060
50 H CYS 8 H CYS 8 0.054 1.403 1.203
51 HA CYS 8 HA CYS 8 -2.708 1.978 0.688
52 HB2 CYS 8 HB2 CYS 8 -2.418 0.008 -0.939
53 HB3 CYS 8 HB3 CYS 8 -1.527 1.496 -1.250
54 H GLY 9 H GLY 9 -1.086 -1.075 1.685
55 HA2 GLY 9 HA2 GLY 9 -3.160 -1.582 3.565
56 HA3 GLY 9 HA3 GLY 9 -3.444 -2.472 2.084
57 H GLY 10 H GLY 10 -1.179 -1.913 4.659
58 HA2 GLY 10 HA2 GLY 10 0.081 -4.505 4.151
59 HA3 GLY 10 HA3 GLY 10 0.705 -3.249 5.219
60 H ILE 11 H ILE 11 0.709 -5.498 6.493
61 HA ILE 11 HA ILE 11 -1.686 -6.415 7.564
62 HB ILE 11 HB ILE 11 1.093 -6.519 8.790
63 HG12 ILE 11 HG12 ILE 11 -0.515 -8.609 7.298
64 HG13 ILE 11 HG13 ILE 11 0.828 -7.684 6.637
65 HG21 ILE 11 HG21 ILE 11 -1.398 -8.019 9.631
66 HG22 ILE 11 HG22 ILE 11 -0.572 -6.769 10.555
67 HG23 ILE 11 HG23 ILE 11 0.232 -8.310 10.240
68 HD11 ILE 11 HD11 ILE 11 2.338 -8.730 8.246
69 HD12 ILE 11 HD12 ILE 11 1.513 -9.930 7.252
70 HD13 ILE 11 HD13 ILE 11 0.987 -9.650 8.913
71 H GLY 12 H GLY 12 -3.090 -5.522 8.788
72 HA2 GLY 12 HA2 GLY 12 -3.804 -4.557 10.823
73 HA3 GLY 12 HA3 GLY 12 -2.266 -3.710 10.932
74 H TYR 13 H TYR 13 -3.076 -3.254 7.831
75 HA TYR 13 HA TYR 13 -4.357 -0.694 8.495
76 HB2 TYR 13 HB2 TYR 13 -2.082 -0.688 7.414
77 HB3 TYR 13 HB3 TYR 13 -2.813 -1.439 6.005
78 HD1 TYR 13 HD1 TYR 13 -2.415 1.622 7.918
79 HD2 TYR 13 HD2 TYR 13 -4.315 -0.137 4.556
80 HE1 TYR 13 HE1 TYR 13 -2.928 3.855 7.050
81 HE2 TYR 13 HE2 TYR 13 -4.837 2.093 3.680
82 HH TYR 13 HH TYR 13 -5.012 4.265 4.321
83 H SER 14 H SER 14 -6.365 -0.301 7.704
84 HA SER 14 HA SER 14 -7.338 -1.913 5.475
85 HB2 SER 14 HB2 SER 14 -9.519 -2.149 6.799
86 HB3 SER 14 HB3 SER 14 -8.152 -3.141 7.307
87 HG SER 14 HG SER 14 -9.229 -0.829 8.509
88 H GLY 15 H GLY 15 -6.573 0.984 6.045
89 HA2 GLY 15 HA2 GLY 15 -8.997 2.506 5.622
90 HA3 GLY 15 HA3 GLY 15 -7.353 3.119 5.600
91 HA PRO 16 HA PRO 16 -8.492 3.367 1.132
92 HB2 PRO 16 HB2 PRO 16 -6.352 5.030 0.541
93 HB3 PRO 16 HB3 PRO 16 -7.963 5.593 0.992
94 HG2 PRO 16 HG2 PRO 16 -5.520 5.296 2.683
95 HG3 PRO 16 HG3 PRO 16 -6.731 6.589 2.683
96 HD2 PRO 16 HD2 PRO 16 -6.728 4.697 4.568
97 HD3 PRO 16 HD3 PRO 16 -8.248 5.336 3.922
98 H THR 17 H THR 17 -7.958 1.350 0.447
99 HA THR 17 HA THR 17 -5.249 0.402 0.566
100 HB THR 17 HB THR 17 -6.502 -1.670 -0.314
101 HG1 THR 17 HG1 THR 17 -8.755 -1.560 0.078
102 HG21 THR 17 HG21 THR 17 -7.184 -0.514 2.405
103 HG22 THR 17 HG22 THR 17 -5.727 -1.428 2.021
104 HG23 THR 17 HG23 THR 17 -7.304 -2.214 1.958
105 H VAL 18 H VAL 18 -7.560 1.606 -1.691
106 HA VAL 18 HA VAL 18 -6.188 0.588 -4.026
107 HB VAL 18 HB VAL 18 -8.479 2.581 -3.822
108 HG11 VAL 18 HG11 VAL 18 -7.376 1.173 -6.253
109 HG12 VAL 18 HG12 VAL 18 -7.225 2.891 -5.895
110 HG13 VAL 18 HG13 VAL 18 -8.815 2.193 -6.218
111 HG21 VAL 18 HG21 VAL 18 -8.481 -0.346 -4.554
112 HG22 VAL 18 HG22 VAL 18 -9.885 0.719 -4.550
113 HG23 VAL 18 HG23 VAL 18 -9.061 0.335 -3.037
114 H CYS 19 H CYS 19 -4.557 1.544 -4.961
115 HA CYS 19 HA CYS 19 -3.561 4.024 -3.947
116 HB2 CYS 19 HB2 CYS 19 -2.541 2.222 -6.133
117 HB3 CYS 19 HB3 CYS 19 -1.695 3.644 -5.533
118 H ALA 20 H ALA 20 -2.904 5.781 -5.277
119 HA ALA 20 HA ALA 20 -4.978 6.768 -6.915
120 HB1 ALA 20 HB1 ALA 20 -3.605 8.210 -5.495
121 HB2 ALA 20 HB2 ALA 20 -3.542 8.723 -7.184
122 HB3 ALA 20 HB3 ALA 20 -2.191 7.832 -6.481
123 H SER 21 H SER 21 -4.670 7.598 -9.069
124 HA SER 21 HA SER 21 -4.065 5.689 -10.954
125 HB2 SER 21 HB2 SER 21 -4.094 8.685 -11.300
126 HB3 SER 21 HB3 SER 21 -4.335 7.482 -12.570
127 HG SER 21 HG SER 21 -5.992 6.927 -10.592
128 H GLY 22 H GLY 22 -2.175 4.858 -11.461
129 HA2 GLY 22 HA2 GLY 22 -0.132 5.173 -12.661
130 HA3 GLY 22 HA3 GLY 22 0.098 6.676 -11.780
131 H THR 23 H THR 23 -0.994 4.837 -9.426
132 HA THR 23 HA THR 23 1.688 3.846 -8.850
133 HB THR 23 HB THR 23 1.250 4.249 -6.437
134 HG1 THR 23 HG1 THR 23 -1.223 5.060 -7.443
135 HG21 THR 23 HG21 THR 23 2.492 5.909 -7.715
136 HG22 THR 23 HG22 THR 23 1.482 6.698 -6.500
137 HG23 THR 23 HG23 THR 23 0.982 6.689 -8.192
138 H THR 24 H THR 24 1.916 1.933 -7.765
139 HA THR 24 HA THR 24 -0.496 0.290 -7.546
140 HB THR 24 HB THR 24 1.089 -1.667 -7.990
141 HG1 THR 24 HG1 THR 24 2.952 0.301 -8.107
142 HG21 THR 24 HG21 THR 24 0.947 -1.410 -10.443
143 HG22 THR 24 HG22 THR 24 0.559 0.297 -10.229
144 HG23 THR 24 HG23 THR 24 -0.552 -0.939 -9.644
145 H CYS 25 H CYS 25 -0.571 -1.145 -5.770
146 HA CYS 25 HA CYS 25 0.829 -0.154 -3.471
147 HB2 CYS 25 HB2 CYS 25 -1.534 -0.831 -3.305
148 HB3 CYS 25 HB3 CYS 25 -1.107 -2.468 -3.783
149 H GLN 26 H GLN 26 2.830 -0.804 -2.969
150 HA GLN 26 HA GLN 26 3.580 -3.552 -3.678
151 HB2 GLN 26 HB2 GLN 26 5.390 -1.173 -3.241
152 HB3 GLN 26 HB3 GLN 26 5.906 -2.796 -3.664
153 HG2 GLN 26 HG2 GLN 26 4.636 -2.601 -5.767
154 HG3 GLN 26 HG3 GLN 26 4.277 -0.924 -5.352
155 HE21 GLN 26 HE21 GLN 26 5.361 -0.059 -7.066
156 HE22 GLN 26 HE22 GLN 26 7.079 -0.109 -7.201
157 H VAL 27 H VAL 27 4.210 -4.870 -2.099
158 HA VAL 27 HA VAL 27 3.865 -3.901 0.601
159 HB VAL 27 HB VAL 27 4.452 -6.721 -0.365
160 HG11 VAL 27 HG11 VAL 27 5.009 -6.395 1.975
161 HG12 VAL 27 HG12 VAL 27 3.579 -7.419 1.821
162 HG13 VAL 27 HG13 VAL 27 3.406 -5.729 2.281
163 HG21 VAL 27 HG21 VAL 27 2.052 -7.161 -0.064
164 HG22 VAL 27 HG22 VAL 27 2.347 -5.940 -1.306
165 HG23 VAL 27 HG23 VAL 27 1.794 -5.454 0.297
166 H LEU 28 H LEU 28 5.628 -2.708 1.061
167 HA LEU 28 HA LEU 28 8.303 -3.467 0.345
168 HB2 LEU 28 HB2 LEU 28 7.429 -1.444 2.407
169 HB3 LEU 28 HB3 LEU 28 9.012 -1.574 1.681
170 HG LEU 28 HG LEU 28 6.469 -0.661 0.331
171 HD11 LEU 28 HD11 LEU 28 9.025 0.786 0.989
172 HD12 LEU 28 HD12 LEU 28 7.492 0.953 1.837
173 HD13 LEU 28 HD13 LEU 28 7.628 1.466 0.155
174 HD21 LEU 28 HD21 LEU 28 9.240 -0.955 -0.796
175 HD22 LEU 28 HD22 LEU 28 7.878 -0.146 -1.568
176 HD23 LEU 28 HD23 LEU 28 7.808 -1.893 -1.274
177 H ASN 29 H ASN 29 6.305 -3.567 3.205
178 HA ASN 29 HA ASN 29 8.121 -5.471 4.449
179 HB2 ASN 29 HB2 ASN 29 6.873 -3.092 5.871
180 HB3 ASN 29 HB3 ASN 29 7.832 -4.363 6.619
181 HD21 ASN 29 HD21 ASN 29 7.853 -1.392 4.919
182 HD22 ASN 29 HD22 ASN 29 9.550 -1.111 4.972
183 HA PRO 30 HA PRO 30 4.343 -7.630 5.229
184 HB2 PRO 30 HB2 PRO 30 4.853 -7.495 8.170
185 HB3 PRO 30 HB3 PRO 30 4.485 -8.897 7.159
186 HG2 PRO 30 HG2 PRO 30 6.962 -8.499 7.991
187 HG3 PRO 30 HG3 PRO 30 6.657 -9.032 6.329
188 HD2 PRO 30 HD2 PRO 30 7.356 -6.304 7.342
189 HD3 PRO 30 HD3 PRO 30 7.930 -7.120 5.881
190 H TYR 31 H TYR 31 4.850 -5.013 7.624
191 HA TYR 31 HA TYR 31 1.953 -4.647 7.738
192 HB2 TYR 31 HB2 TYR 31 4.166 -3.334 9.341
193 HB3 TYR 31 HB3 TYR 31 2.458 -3.003 9.528
194 HD1 TYR 31 HD1 TYR 31 4.845 -5.873 9.611
195 HD2 TYR 31 HD2 TYR 31 1.301 -4.136 11.172
196 HE1 TYR 31 HE1 TYR 31 4.701 -7.666 11.278
197 HE2 TYR 31 HE2 TYR 31 1.150 -5.921 12.837
198 HH TYR 31 HH TYR 31 1.912 -8.156 13.164
199 H TYR 32 H TYR 32 4.804 -3.173 6.408
200 HA TYR 32 HA TYR 32 3.191 -0.849 5.715
201 HB2 TYR 32 HB2 TYR 32 5.436 -0.465 6.821
202 HB3 TYR 32 HB3 TYR 32 6.149 -1.097 5.350
203 HD1 TYR 32 HD1 TYR 32 3.651 1.436 6.377
204 HD2 TYR 32 HD2 TYR 32 6.758 0.376 3.697
205 HE1 TYR 32 HE1 TYR 32 3.464 3.629 5.328
206 HE2 TYR 32 HE2 TYR 32 6.593 2.568 2.614
207 HH TYR 32 HH TYR 32 4.793 5.130 4.044
208 H SER 33 H SER 33 2.227 -0.929 3.878
209 HA SER 33 HA SER 33 3.701 -1.883 1.538
210 HB2 SER 33 HB2 SER 33 0.700 -1.876 2.003
211 HB3 SER 33 HB3 SER 33 1.529 -2.528 0.588
212 HG SER 33 HG SER 33 2.650 -3.722 2.603
213 H GLN 34 H GLN 34 3.744 -0.373 -0.159
214 HA GLN 34 HA GLN 34 2.603 2.254 0.519
215 HB2 GLN 34 HB2 GLN 34 4.985 2.098 1.128
216 HB3 GLN 34 HB3 GLN 34 5.367 1.660 -0.527
217 HG2 GLN 34 HG2 GLN 34 4.629 3.851 -1.285
218 HG3 GLN 34 HG3 GLN 34 4.192 4.280 0.370
219 HE21 GLN 34 HE21 GLN 34 5.838 4.670 1.860
220 HE22 GLN 34 HE22 GLN 34 7.468 4.944 1.367
221 H CYS 35 H CYS 35 1.828 3.403 -1.181
222 HA CYS 35 HA CYS 35 1.474 2.063 -3.677
223 HB2 CYS 35 HB2 CYS 35 0.714 4.855 -2.814
224 HB3 CYS 35 HB3 CYS 35 0.291 4.153 -4.372
225 H LEU 36 H LEU 36 2.987 1.881 -5.055
226 HA LEU 36 HA LEU 36 4.605 4.151 -5.873
227 HB2 LEU 36 HB2 LEU 36 5.571 1.335 -5.343
228 HB3 LEU 36 HB3 LEU 36 6.519 2.600 -6.088
229 HG LEU 36 HG LEU 36 5.483 2.712 -3.255
230 HD11 LEU 36 HD11 LEU 36 8.233 2.046 -4.288
231 HD12 LEU 36 HD12 LEU 36 7.101 0.898 -3.567
232 HD13 LEU 36 HD13 LEU 36 7.764 2.211 -2.594
233 HD21 LEU 36 HD21 LEU 36 5.878 4.899 -4.263
234 HD22 LEU 36 HD22 LEU 36 7.496 4.386 -4.745
235 HD23 LEU 36 HD23 LEU 36 7.091 4.536 -3.035
236 H1 MAN 101 H1 MAN 101 -5.827 8.903 -6.053
237 H2 MAN 101 H2 MAN 101 -6.666 11.252 -4.335
238 H3 MAN 101 H3 MAN 101 -7.118 12.361 -6.300
239 H4 MAN 101 H4 MAN 101 -5.293 10.336 -7.669
240 H5 MAN 101 H5 MAN 101 -8.322 10.695 -8.006
241 H61 MAN 101 H61 MAN 101 -7.070 9.290 -9.617
242 H62 MAN 101 H62 MAN 101 -8.299 8.393 -8.704
243 HO2 MAN 101 HO2 MAN 101 -4.382 11.622 -4.616
244 HO3 MAN 101 HO3 MAN 101 -4.253 12.102 -6.362
245 HO4 MAN 101 HO4 MAN 101 -5.356 12.413 -8.631
246 HO6 MAN 101 HO6 MAN 101 -6.687 7.108 -8.258
Start of MODEL 18
1 H1 THR 1 H1 THR 1 -9.347 6.365 -2.633
2 H2 THR 1 H2 THR 1 -8.414 7.748 -2.363
3 H3 THR 1 H3 THR 1 -8.429 6.526 -1.219
4 HA THR 1 HA THR 1 -7.315 5.073 -2.794
5 HB THR 1 HB THR 1 -6.309 6.301 -4.787
6 HG21 THR 1 HG21 THR 1 -8.331 5.904 -6.178
7 HG22 THR 1 HG22 THR 1 -9.332 5.918 -4.727
8 HG23 THR 1 HG23 THR 1 -8.151 4.633 -4.970
9 H GLN 2 H GLN 2 -5.201 4.889 -2.201
10 HA GLN 2 HA GLN 2 -4.167 7.074 -0.658
11 HB2 GLN 2 HB2 GLN 2 -4.003 4.673 0.073
12 HB3 GLN 2 HB3 GLN 2 -2.842 4.421 -1.225
13 HG2 GLN 2 HG2 GLN 2 -1.758 4.781 0.938
14 HG3 GLN 2 HG3 GLN 2 -1.338 6.031 -0.237
15 HE21 GLN 2 HE21 GLN 2 -3.098 5.311 2.643
16 HE22 GLN 2 HE22 GLN 2 -3.416 6.938 3.129
17 H SER 3 H SER 3 -2.333 8.224 -1.073
18 HA SER 3 HA SER 3 -1.854 8.562 -3.905
19 HB2 SER 3 HB2 SER 3 -0.996 10.238 -1.550
20 HB3 SER 3 HB3 SER 3 -0.950 10.712 -3.254
21 HG SER 3 HG SER 3 -3.357 9.828 -2.806
22 H HIS 4 H HIS 4 0.502 9.358 -4.402
23 HA HIS 4 HA HIS 4 2.171 7.089 -4.215
24 HB2 HIS 4 HB2 HIS 4 2.022 8.819 -6.094
25 HB3 HIS 4 HB3 HIS 4 2.955 9.886 -5.058
26 HD1 HIS 4 HD1 HIS 4 5.155 10.018 -6.151
27 HD2 HIS 4 HD2 HIS 4 3.724 6.139 -6.022
28 HE1 HIS 4 HE1 HIS 4 6.971 8.601 -7.146
29 HE2 HIS 4 HE2 HIS 4 6.067 6.284 -7.158
30 H TYR 5 H TYR 5 3.639 6.562 -2.767
31 HA TYR 5 HA TYR 5 4.986 6.499 -1.018
32 HB2 TYR 5 HB2 TYR 5 5.064 9.513 -1.234
33 HB3 TYR 5 HB3 TYR 5 5.894 8.624 0.043
34 HD1 TYR 5 HD1 TYR 5 5.842 9.376 -3.543
35 HD2 TYR 5 HD2 TYR 5 7.842 7.317 -0.424
36 HE1 TYR 5 HE1 TYR 5 7.780 9.038 -5.014
37 HE2 TYR 5 HE2 TYR 5 9.786 6.968 -1.881
38 HH TYR 5 HH TYR 5 10.144 8.614 -4.828
39 H GLY 6 H GLY 6 1.992 6.982 -0.919
40 HA2 GLY 6 HA2 GLY 6 1.815 7.462 1.955
41 HA3 GLY 6 HA3 GLY 6 0.458 7.357 0.828
42 H GLN 7 H GLN 7 0.869 5.852 3.296
43 HA GLN 7 HA GLN 7 1.582 3.206 2.479
44 HB2 GLN 7 HB2 GLN 7 2.022 3.893 4.780
45 HB3 GLN 7 HB3 GLN 7 0.320 4.235 5.032
46 HG2 GLN 7 HG2 GLN 7 -0.209 1.867 4.806
47 HG3 GLN 7 HG3 GLN 7 1.488 1.503 4.502
48 HE21 GLN 7 HE21 GLN 7 -0.323 0.578 6.640
49 HE22 GLN 7 HE22 GLN 7 0.448 1.011 8.114
50 H CYS 8 H CYS 8 0.294 2.245 1.062
51 HA CYS 8 HA CYS 8 -2.539 2.530 0.998
52 HB2 CYS 8 HB2 CYS 8 -2.365 0.527 -0.555
53 HB3 CYS 8 HB3 CYS 8 -1.459 1.952 -1.053
54 H GLY 9 H GLY 9 -0.244 0.429 2.477
55 HA2 GLY 9 HA2 GLY 9 -0.896 -0.330 4.668
56 HA3 GLY 9 HA3 GLY 9 -2.502 -0.561 4.015
57 H GLY 10 H GLY 10 -0.072 -2.086 5.215
58 HA2 GLY 10 HA2 GLY 10 -0.316 -4.453 3.560
59 HA3 GLY 10 HA3 GLY 10 0.841 -4.196 4.878
60 H ILE 11 H ILE 11 0.019 -6.197 5.781
61 HA ILE 11 HA ILE 11 -2.600 -6.693 6.550
62 HB ILE 11 HB ILE 11 -0.074 -7.436 8.067
63 HG12 ILE 11 HG12 ILE 11 -1.572 -8.971 5.928
64 HG13 ILE 11 HG13 ILE 11 -0.036 -8.142 5.695
65 HG21 ILE 11 HG21 ILE 11 -1.391 -9.301 8.965
66 HG22 ILE 11 HG22 ILE 11 -2.811 -8.709 8.107
67 HG23 ILE 11 HG23 ILE 11 -2.107 -7.747 9.406
68 HD11 ILE 11 HD11 ILE 11 1.008 -9.652 7.310
69 HD12 ILE 11 HD12 ILE 11 0.278 -10.530 5.963
70 HD13 ILE 11 HD13 ILE 11 -0.532 -10.479 7.528
71 H GLY 12 H GLY 12 -3.936 -5.737 7.969
72 HA2 GLY 12 HA2 GLY 12 -4.363 -5.017 10.238
73 HA3 GLY 12 HA3 GLY 12 -2.788 -4.237 10.230
74 H TYR 13 H TYR 13 -3.248 -3.175 7.506
75 HA TYR 13 HA TYR 13 -4.507 -0.721 8.385
76 HB2 TYR 13 HB2 TYR 13 -2.389 -0.860 7.006
77 HB3 TYR 13 HB3 TYR 13 -3.380 -1.426 5.673
78 HD1 TYR 13 HD1 TYR 13 -4.963 0.161 4.567
79 HD2 TYR 13 HD2 TYR 13 -2.282 1.429 7.607
80 HE1 TYR 13 HE1 TYR 13 -5.282 2.495 3.874
81 HE2 TYR 13 HE2 TYR 13 -2.601 3.762 6.928
82 HH TYR 13 HH TYR 13 -3.271 4.998 4.948
83 H SER 14 H SER 14 -6.571 -0.108 7.893
84 HA SER 14 HA SER 14 -8.004 -1.734 5.922
85 HB2 SER 14 HB2 SER 14 -10.023 -1.463 7.426
86 HB3 SER 14 HB3 SER 14 -8.748 -2.524 8.023
87 HG SER 14 HG SER 14 -9.216 0.175 8.746
88 H GLY 15 H GLY 15 -6.813 1.169 6.218
89 HA2 GLY 15 HA2 GLY 15 -9.132 2.799 5.598
90 HA3 GLY 15 HA3 GLY 15 -7.452 3.313 5.593
91 HA PRO 16 HA PRO 16 -8.407 3.106 1.168
92 HB2 PRO 16 HB2 PRO 16 -6.491 4.880 0.372
93 HB3 PRO 16 HB3 PRO 16 -8.082 5.381 0.953
94 HG2 PRO 16 HG2 PRO 16 -5.472 5.325 2.392
95 HG3 PRO 16 HG3 PRO 16 -6.778 6.518 2.479
96 HD2 PRO 16 HD2 PRO 16 -6.370 4.572 4.367
97 HD3 PRO 16 HD3 PRO 16 -7.949 5.297 4.029
98 H THR 17 H THR 17 -7.667 0.973 1.099
99 HA THR 17 HA THR 17 -4.886 0.353 1.063
100 HB THR 17 HB THR 17 -5.828 -1.946 0.455
101 HG1 THR 17 HG1 THR 17 -7.829 -1.867 -0.130
102 HG21 THR 17 HG21 THR 17 -5.167 -1.328 2.746
103 HG22 THR 17 HG22 THR 17 -6.611 -2.341 2.766
104 HG23 THR 17 HG23 THR 17 -6.750 -0.599 3.007
105 H VAL 18 H VAL 18 -7.114 1.393 -1.264
106 HA VAL 18 HA VAL 18 -5.549 0.226 -3.447
107 HB VAL 18 HB VAL 18 -8.158 1.786 -3.623
108 HG11 VAL 18 HG11 VAL 18 -8.285 0.931 -5.911
109 HG12 VAL 18 HG12 VAL 18 -6.718 0.152 -5.706
110 HG13 VAL 18 HG13 VAL 18 -6.838 1.910 -5.669
111 HG21 VAL 18 HG21 VAL 18 -9.235 -0.370 -4.060
112 HG22 VAL 18 HG22 VAL 18 -8.497 -0.329 -2.456
113 HG23 VAL 18 HG23 VAL 18 -7.701 -1.191 -3.773
114 H CYS 19 H CYS 19 -4.272 1.440 -4.654
115 HA CYS 19 HA CYS 19 -3.639 4.066 -3.667
116 HB2 CYS 19 HB2 CYS 19 -2.395 2.386 -5.841
117 HB3 CYS 19 HB3 CYS 19 -1.746 3.899 -5.213
118 H ALA 20 H ALA 20 -3.016 5.675 -5.449
119 HA ALA 20 HA ALA 20 -5.337 6.196 -7.046
120 HB1 ALA 20 HB1 ALA 20 -4.103 8.199 -7.763
121 HB2 ALA 20 HB2 ALA 20 -2.645 7.578 -6.991
122 HB3 ALA 20 HB3 ALA 20 -4.037 8.023 -6.007
123 H SER 21 H SER 21 -5.505 6.032 -9.266
124 HA SER 21 HA SER 21 -4.223 3.998 -10.608
125 HB2 SER 21 HB2 SER 21 -5.469 6.492 -11.802
126 HB3 SER 21 HB3 SER 21 -5.156 4.988 -12.668
127 HG SER 21 HG SER 21 -7.287 5.629 -11.247
128 H GLY 22 H GLY 22 -2.230 3.747 -11.367
129 HA2 GLY 22 HA2 GLY 22 -0.447 4.571 -12.753
130 HA3 GLY 22 HA3 GLY 22 -0.682 6.154 -12.016
131 H THR 23 H THR 23 -1.090 4.399 -9.430
132 HA THR 23 HA THR 23 1.772 3.968 -8.919
133 HB THR 23 HB THR 23 1.368 4.616 -6.537
134 HG1 THR 23 HG1 THR 23 -1.240 5.007 -7.518
135 HG21 THR 23 HG21 THR 23 2.257 6.286 -8.060
136 HG22 THR 23 HG22 THR 23 1.180 7.023 -6.873
137 HG23 THR 23 HG23 THR 23 0.619 6.757 -8.525
138 H THR 24 H THR 24 2.278 2.097 -7.665
139 HA THR 24 HA THR 24 -0.027 0.324 -7.397
140 HB THR 24 HB THR 24 1.632 -1.564 -7.589
141 HG1 THR 24 HG1 THR 24 3.429 0.515 -7.616
142 HG21 THR 24 HG21 THR 24 1.462 0.326 -9.934
143 HG22 THR 24 HG22 THR 24 0.261 -0.888 -9.488
144 HG23 THR 24 HG23 THR 24 1.863 -1.389 -10.029
145 H CYS 25 H CYS 25 -0.332 -0.802 -5.551
146 HA CYS 25 HA CYS 25 0.958 0.194 -3.192
147 HB2 CYS 25 HB2 CYS 25 -1.445 -0.418 -3.163
148 HB3 CYS 25 HB3 CYS 25 -1.026 -2.080 -3.561
149 H GLN 26 H GLN 26 3.070 -0.385 -3.125
150 HA GLN 26 HA GLN 26 3.775 -3.114 -3.793
151 HB2 GLN 26 HB2 GLN 26 5.610 -0.808 -3.112
152 HB3 GLN 26 HB3 GLN 26 6.095 -2.371 -3.755
153 HG2 GLN 26 HG2 GLN 26 4.689 -1.832 -5.784
154 HG3 GLN 26 HG3 GLN 26 4.557 -0.196 -5.152
155 HE21 GLN 26 HE21 GLN 26 5.710 -1.008 -7.604
156 HE22 GLN 26 HE22 GLN 26 7.381 -0.571 -7.594
157 H VAL 27 H VAL 27 4.160 -4.576 -2.354
158 HA VAL 27 HA VAL 27 3.908 -3.924 0.437
159 HB VAL 27 HB VAL 27 4.349 -6.613 -0.917
160 HG11 VAL 27 HG11 VAL 27 5.101 -6.665 1.404
161 HG12 VAL 27 HG12 VAL 27 3.622 -7.609 1.206
162 HG13 VAL 27 HG13 VAL 27 3.555 -6.003 1.931
163 HG21 VAL 27 HG21 VAL 27 1.973 -7.006 -0.507
164 HG22 VAL 27 HG22 VAL 27 2.208 -5.579 -1.522
165 HG23 VAL 27 HG23 VAL 27 1.822 -5.391 0.182
166 H LEU 28 H LEU 28 5.676 -2.824 0.989
167 HA LEU 28 HA LEU 28 8.356 -3.628 0.361
168 HB2 LEU 28 HB2 LEU 28 7.327 -1.698 2.449
169 HB3 LEU 28 HB3 LEU 28 8.994 -1.842 1.936
170 HG LEU 28 HG LEU 28 6.725 -0.929 0.154
171 HD11 LEU 28 HD11 LEU 28 7.151 0.675 1.893
172 HD12 LEU 28 HD12 LEU 28 7.758 1.283 0.348
173 HD13 LEU 28 HD13 LEU 28 8.881 0.640 1.551
174 HD21 LEU 28 HD21 LEU 28 8.496 -0.224 -1.335
175 HD22 LEU 28 HD22 LEU 28 8.558 -1.976 -1.076
176 HD23 LEU 28 HD23 LEU 28 9.698 -0.903 -0.240
177 H ASN 29 H ASN 29 6.319 -3.649 3.226
178 HA ASN 29 HA ASN 29 7.875 -5.878 4.312
179 HB2 ASN 29 HB2 ASN 29 6.644 -3.609 5.946
180 HB3 ASN 29 HB3 ASN 29 7.491 -5.022 6.549
181 HD21 ASN 29 HD21 ASN 29 8.021 -2.258 7.077
182 HD22 ASN 29 HD22 ASN 29 9.638 -1.958 6.569
183 HA PRO 30 HA PRO 30 3.922 -7.936 4.672
184 HB2 PRO 30 HB2 PRO 30 4.318 -8.059 7.634
185 HB3 PRO 30 HB3 PRO 30 3.879 -9.354 6.515
186 HG2 PRO 30 HG2 PRO 30 6.341 -9.229 7.412
187 HG3 PRO 30 HG3 PRO 30 6.066 -9.536 5.686
188 HD2 PRO 30 HD2 PRO 30 6.879 -7.004 7.054
189 HD3 PRO 30 HD3 PRO 30 7.493 -7.687 5.538
190 H TYR 31 H TYR 31 4.447 -5.558 7.272
191 HA TYR 31 HA TYR 31 1.587 -5.017 7.231
192 HB2 TYR 31 HB2 TYR 31 3.685 -4.110 9.209
193 HB3 TYR 31 HB3 TYR 31 1.955 -3.800 9.318
194 HD1 TYR 31 HD1 TYR 31 0.405 -5.631 9.847
195 HD2 TYR 31 HD2 TYR 31 4.594 -6.289 9.789
196 HE1 TYR 31 HE1 TYR 31 0.088 -7.733 11.060
197 HE2 TYR 31 HE2 TYR 31 4.287 -8.396 11.005
198 HH TYR 31 HH TYR 31 1.236 -9.829 11.395
199 H TYR 32 H TYR 32 4.607 -3.603 6.299
200 HA TYR 32 HA TYR 32 3.221 -1.058 5.837
201 HB2 TYR 32 HB2 TYR 32 5.342 -0.952 7.105
202 HB3 TYR 32 HB3 TYR 32 6.201 -1.569 5.697
203 HD1 TYR 32 HD1 TYR 32 6.766 -0.078 3.878
204 HD2 TYR 32 HD2 TYR 32 4.328 1.267 7.087
205 HE1 TYR 32 HE1 TYR 32 7.075 2.243 3.121
206 HE2 TYR 32 HE2 TYR 32 4.620 3.589 6.354
207 HH TYR 32 HH TYR 32 5.981 4.469 3.357
208 H SER 33 H SER 33 2.374 -0.839 3.924
209 HA SER 33 HA SER 33 3.923 -1.661 1.600
210 HB2 SER 33 HB2 SER 33 0.915 -1.917 1.947
211 HB3 SER 33 HB3 SER 33 1.825 -2.352 0.498
212 HG SER 33 HG SER 33 2.916 -3.574 2.621
213 H GLN 34 H GLN 34 3.789 -0.130 -0.126
214 HA GLN 34 HA GLN 34 2.471 2.375 0.605
215 HB2 GLN 34 HB2 GLN 34 4.741 2.476 1.493
216 HB3 GLN 34 HB3 GLN 34 5.392 2.063 -0.081
217 HG2 GLN 34 HG2 GLN 34 4.743 4.145 -0.988
218 HG3 GLN 34 HG3 GLN 34 3.794 4.548 0.446
219 HE21 GLN 34 HE21 GLN 34 6.964 4.345 -0.917
220 HE22 GLN 34 HE22 GLN 34 7.772 5.164 0.373
221 H CYS 35 H CYS 35 1.862 3.665 -1.089
222 HA CYS 35 HA CYS 35 1.597 2.385 -3.635
223 HB2 CYS 35 HB2 CYS 35 0.841 5.198 -2.808
224 HB3 CYS 35 HB3 CYS 35 0.367 4.394 -4.295
225 H LEU 36 H LEU 36 3.234 2.246 -4.888
226 HA LEU 36 HA LEU 36 4.790 4.617 -5.494
227 HB2 LEU 36 HB2 LEU 36 5.764 1.768 -5.211
228 HB3 LEU 36 HB3 LEU 36 6.724 3.093 -5.839
229 HG LEU 36 HG LEU 36 5.611 2.976 -3.031
230 HD11 LEU 36 HD11 LEU 36 7.317 1.274 -3.386
231 HD12 LEU 36 HD12 LEU 36 7.883 2.563 -2.323
232 HD13 LEU 36 HD13 LEU 36 8.417 2.508 -4.005
233 HD21 LEU 36 HD21 LEU 36 7.548 4.876 -4.346
234 HD22 LEU 36 HD22 LEU 36 7.155 4.858 -2.634
235 HD23 LEU 36 HD23 LEU 36 5.910 5.256 -3.813
236 H1 MAN 101 H1 MAN 101 -6.401 8.171 -6.168
237 H2 MAN 101 H2 MAN 101 -8.108 10.436 -5.059
238 H3 MAN 101 H3 MAN 101 -7.134 11.814 -6.728
239 H4 MAN 101 H4 MAN 101 -7.945 10.799 -8.839
240 H5 MAN 101 H5 MAN 101 -9.204 8.537 -8.549
241 H61 MAN 101 H61 MAN 101 -6.168 8.687 -8.303
242 H62 MAN 101 H62 MAN 101 -7.130 8.416 -9.756
243 HO2 MAN 101 HO2 MAN 101 -5.976 11.247 -4.730
244 HO3 MAN 101 HO3 MAN 101 -5.179 10.685 -6.752
245 HO4 MAN 101 HO4 MAN 101 -10.078 10.762 -8.069
246 HO6 MAN 101 HO6 MAN 101 -7.952 6.488 -8.279
Start of MODEL 19
1 H1 THR 1 H1 THR 1 -8.407 7.245 -1.286
2 H2 THR 1 H2 THR 1 -9.181 7.569 -2.771
3 H3 THR 1 H3 THR 1 -8.022 8.628 -2.135
4 HA THR 1 HA THR 1 -7.369 5.918 -2.962
5 HB THR 1 HB THR 1 -6.070 7.143 -4.721
6 HG21 THR 1 HG21 THR 1 -9.091 7.461 -4.820
7 HG22 THR 1 HG22 THR 1 -8.197 6.016 -5.298
8 HG23 THR 1 HG23 THR 1 -8.039 7.513 -6.223
9 H GLN 2 H GLN 2 -5.291 5.377 -2.423
10 HA GLN 2 HA GLN 2 -3.968 7.147 -0.569
11 HB2 GLN 2 HB2 GLN 2 -4.202 4.618 -0.273
12 HB3 GLN 2 HB3 GLN 2 -3.024 4.458 -1.566
13 HG2 GLN 2 HG2 GLN 2 -1.873 4.279 0.517
14 HG3 GLN 2 HG3 GLN 2 -1.442 5.806 -0.244
15 HE21 GLN 2 HE21 GLN 2 -4.469 5.192 1.427
16 HE22 GLN 2 HE22 GLN 2 -4.191 6.298 2.718
17 H SER 3 H SER 3 -2.342 8.439 -1.153
18 HA SER 3 HA SER 3 -1.681 8.652 -3.945
19 HB2 SER 3 HB2 SER 3 -0.760 10.267 -1.565
20 HB3 SER 3 HB3 SER 3 -0.621 10.731 -3.263
21 HG SER 3 HG SER 3 -3.113 10.113 -2.955
22 H HIS 4 H HIS 4 0.665 9.203 -4.470
23 HA HIS 4 HA HIS 4 2.231 6.889 -4.209
24 HB2 HIS 4 HB2 HIS 4 2.318 8.605 -6.059
25 HB3 HIS 4 HB3 HIS 4 3.153 9.677 -4.954
26 HD1 HIS 4 HD1 HIS 4 5.596 9.704 -5.444
27 HD2 HIS 4 HD2 HIS 4 3.914 5.983 -6.161
28 HE1 HIS 4 HE1 HIS 4 7.471 8.266 -6.267
29 HE2 HIS 4 HE2 HIS 4 6.338 6.166 -7.018
30 H TYR 5 H TYR 5 3.752 6.317 -2.778
31 HA TYR 5 HA TYR 5 5.069 6.232 -0.984
32 HB2 TYR 5 HB2 TYR 5 4.967 9.259 -1.001
33 HB3 TYR 5 HB3 TYR 5 5.880 8.343 0.185
34 HD1 TYR 5 HD1 TYR 5 6.389 10.304 -2.462
35 HD2 TYR 5 HD2 TYR 5 7.238 6.306 -1.298
36 HE1 TYR 5 HE1 TYR 5 8.315 10.270 -3.985
37 HE2 TYR 5 HE2 TYR 5 9.156 6.260 -2.816
38 HH TYR 5 HH TYR 5 10.411 9.060 -4.228
39 H GLY 6 H GLY 6 2.005 6.674 -0.923
40 HA2 GLY 6 HA2 GLY 6 1.778 7.039 1.961
41 HA3 GLY 6 HA3 GLY 6 0.443 6.931 0.813
42 H GLN 7 H GLN 7 0.555 5.395 3.155
43 HA GLN 7 HA GLN 7 1.487 2.759 2.424
44 HB2 GLN 7 HB2 GLN 7 1.619 3.679 4.776
45 HB3 GLN 7 HB3 GLN 7 -0.135 3.605 4.830
46 HG2 GLN 7 HG2 GLN 7 -0.046 1.178 4.547
47 HG3 GLN 7 HG3 GLN 7 1.713 1.250 4.485
48 HE21 GLN 7 HE21 GLN 7 0.093 -0.203 6.395
49 HE22 GLN 7 HE22 GLN 7 0.446 0.417 7.936
50 H CYS 8 H CYS 8 0.290 1.620 1.065
51 HA CYS 8 HA CYS 8 -2.430 2.251 0.529
52 HB2 CYS 8 HB2 CYS 8 -2.261 0.174 -0.942
53 HB3 CYS 8 HB3 CYS 8 -1.221 1.538 -1.333
54 H GLY 9 H GLY 9 -0.983 -0.806 1.658
55 HA2 GLY 9 HA2 GLY 9 -2.815 -1.088 3.744
56 HA3 GLY 9 HA3 GLY 9 -3.461 -1.896 2.321
57 H GLY 10 H GLY 10 -1.050 -1.887 4.744
58 HA2 GLY 10 HA2 GLY 10 -0.108 -4.501 3.847
59 HA3 GLY 10 HA3 GLY 10 0.675 -3.488 5.060
60 H ILE 11 H ILE 11 0.564 -5.558 6.312
61 HA ILE 11 HA ILE 11 -1.898 -6.593 7.180
62 HB ILE 11 HB ILE 11 0.830 -6.727 8.498
63 HG12 ILE 11 HG12 ILE 11 -0.660 -8.737 6.788
64 HG13 ILE 11 HG13 ILE 11 0.698 -7.752 6.264
65 HG21 ILE 11 HG21 ILE 11 -1.654 -8.336 9.119
66 HG22 ILE 11 HG22 ILE 11 -0.913 -7.127 10.164
67 HG23 ILE 11 HG23 ILE 11 -0.052 -8.622 9.799
68 HD11 ILE 11 HD11 ILE 11 2.149 -8.880 7.859
69 HD12 ILE 11 HD12 ILE 11 1.369 -10.037 6.774
70 HD13 ILE 11 HD13 ILE 11 0.779 -9.837 8.426
71 H GLY 12 H GLY 12 -3.369 -5.564 8.326
72 HA2 GLY 12 HA2 GLY 12 -4.045 -4.743 10.495
73 HA3 GLY 12 HA3 GLY 12 -2.471 -3.978 10.638
74 H TYR 13 H TYR 13 -3.336 -3.412 7.569
75 HA TYR 13 HA TYR 13 -4.323 -0.756 8.280
76 HB2 TYR 13 HB2 TYR 13 -2.350 -1.136 6.703
77 HB3 TYR 13 HB3 TYR 13 -3.519 -1.775 5.557
78 HD1 TYR 13 HD1 TYR 13 -1.931 1.142 6.852
79 HD2 TYR 13 HD2 TYR 13 -5.374 -0.174 4.746
80 HE1 TYR 13 HE1 TYR 13 -2.279 3.420 6.015
81 HE2 TYR 13 HE2 TYR 13 -5.734 2.111 3.905
82 HH TYR 13 HH TYR 13 -3.400 4.365 3.930
83 H SER 14 H SER 14 -6.481 -0.591 8.393
84 HA SER 14 HA SER 14 -8.091 -2.297 6.659
85 HB2 SER 14 HB2 SER 14 -9.862 -1.664 8.396
86 HB3 SER 14 HB3 SER 14 -8.585 -2.781 8.877
87 HG SER 14 HG SER 14 -9.157 -0.275 9.777
88 H GLY 15 H GLY 15 -6.897 0.622 6.425
89 HA2 GLY 15 HA2 GLY 15 -9.328 2.120 5.897
90 HA3 GLY 15 HA3 GLY 15 -7.679 2.715 5.763
91 HA PRO 16 HA PRO 16 -9.224 2.108 1.462
92 HB2 PRO 16 HB2 PRO 16 -8.093 4.357 0.439
93 HB3 PRO 16 HB3 PRO 16 -9.677 4.341 1.221
94 HG2 PRO 16 HG2 PRO 16 -7.033 5.184 2.316
95 HG3 PRO 16 HG3 PRO 16 -8.630 5.917 2.547
96 HD2 PRO 16 HD2 PRO 16 -7.426 4.312 4.391
97 HD3 PRO 16 HD3 PRO 16 -9.187 4.469 4.231
98 H THR 17 H THR 17 -8.042 0.517 0.630
99 HA THR 17 HA THR 17 -5.142 0.647 0.623
100 HB THR 17 HB THR 17 -5.364 -1.735 -0.137
101 HG1 THR 17 HG1 THR 17 -7.340 -1.897 -1.086
102 HG21 THR 17 HG21 THR 17 -6.102 -2.589 2.011
103 HG22 THR 17 HG22 THR 17 -6.997 -1.111 2.322
104 HG23 THR 17 HG23 THR 17 -5.237 -1.070 2.293
105 H VAL 18 H VAL 18 -7.483 1.733 -1.345
106 HA VAL 18 HA VAL 18 -6.426 0.841 -3.889
107 HB VAL 18 HB VAL 18 -8.519 2.962 -3.313
108 HG11 VAL 18 HG11 VAL 18 -7.869 1.521 -5.887
109 HG12 VAL 18 HG12 VAL 18 -7.541 3.217 -5.533
110 HG13 VAL 18 HG13 VAL 18 -9.207 2.644 -5.646
111 HG21 VAL 18 HG21 VAL 18 -9.227 0.790 -2.468
112 HG22 VAL 18 HG22 VAL 18 -8.873 0.051 -4.029
113 HG23 VAL 18 HG23 VAL 18 -10.174 1.232 -3.891
114 H CYS 19 H CYS 19 -4.650 1.711 -4.640
115 HA CYS 19 HA CYS 19 -3.619 4.237 -3.758
116 HB2 CYS 19 HB2 CYS 19 -2.638 2.334 -5.890
117 HB3 CYS 19 HB3 CYS 19 -1.774 3.767 -5.351
118 H ALA 20 H ALA 20 -2.814 5.844 -5.355
119 HA ALA 20 HA ALA 20 -4.952 6.783 -6.988
120 HB1 ALA 20 HB1 ALA 20 -3.480 8.678 -7.459
121 HB2 ALA 20 HB2 ALA 20 -2.125 7.818 -6.728
122 HB3 ALA 20 HB3 ALA 20 -3.493 8.314 -5.734
123 H SER 21 H SER 21 -4.241 7.686 -9.256
124 HA SER 21 HA SER 21 -3.891 5.455 -10.917
125 HB2 SER 21 HB2 SER 21 -3.702 8.368 -11.641
126 HB3 SER 21 HB3 SER 21 -4.255 7.025 -12.654
127 HG SER 21 HG SER 21 -5.926 6.728 -11.036
128 H GLY 22 H GLY 22 -2.079 4.628 -11.759
129 HA2 GLY 22 HA2 GLY 22 0.048 4.663 -12.716
130 HA3 GLY 22 HA3 GLY 22 0.299 6.271 -12.048
131 H THR 23 H THR 23 -0.938 4.495 -9.596
132 HA THR 23 HA THR 23 1.722 3.619 -8.738
133 HB THR 23 HB THR 23 1.101 4.232 -6.400
134 HG1 THR 23 HG1 THR 23 -1.282 4.796 -7.594
135 HG21 THR 23 HG21 THR 23 2.489 5.730 -7.724
136 HG22 THR 23 HG22 THR 23 1.426 6.652 -6.654
137 HG23 THR 23 HG23 THR 23 1.043 6.501 -8.373
138 H THR 24 H THR 24 1.861 1.711 -7.663
139 HA THR 24 HA THR 24 -0.630 0.210 -7.383
140 HB THR 24 HB THR 24 0.853 -1.830 -7.731
141 HG1 THR 24 HG1 THR 24 2.725 0.178 -8.003
142 HG21 THR 24 HG21 THR 24 0.796 -1.636 -10.189
143 HG22 THR 24 HG22 THR 24 0.536 0.100 -10.033
144 HG23 THR 24 HG23 THR 24 -0.689 -1.027 -9.461
145 H CYS 25 H CYS 25 -0.647 -1.311 -5.622
146 HA CYS 25 HA CYS 25 0.743 -0.266 -3.335
147 HB2 CYS 25 HB2 CYS 25 -1.616 -0.995 -3.168
148 HB3 CYS 25 HB3 CYS 25 -1.143 -2.637 -3.572
149 H GLN 26 H GLN 26 2.850 -0.753 -3.200
150 HA GLN 26 HA GLN 26 3.652 -3.497 -3.803
151 HB2 GLN 26 HB2 GLN 26 5.349 -0.996 -3.618
152 HB3 GLN 26 HB3 GLN 26 5.951 -2.604 -3.998
153 HG2 GLN 26 HG2 GLN 26 4.508 -2.620 -6.017
154 HG3 GLN 26 HG3 GLN 26 4.045 -0.962 -5.654
155 HE21 GLN 26 HE21 GLN 26 4.891 -0.124 -7.517
156 HE22 GLN 26 HE22 GLN 26 6.568 -0.020 -7.856
157 H VAL 27 H VAL 27 4.332 -4.755 -2.246
158 HA VAL 27 HA VAL 27 4.103 -3.766 0.463
159 HB VAL 27 HB VAL 27 4.592 -6.584 -0.539
160 HG11 VAL 27 HG11 VAL 27 3.944 -7.297 1.708
161 HG12 VAL 27 HG12 VAL 27 3.824 -5.608 2.203
162 HG13 VAL 27 HG13 VAL 27 5.388 -6.283 1.738
163 HG21 VAL 27 HG21 VAL 27 2.438 -5.726 -1.250
164 HG22 VAL 27 HG22 VAL 27 2.056 -5.263 0.408
165 HG23 VAL 27 HG23 VAL 27 2.225 -6.966 -0.014
166 H LEU 28 H LEU 28 5.838 -2.712 1.111
167 HA LEU 28 HA LEU 28 8.507 -3.531 0.368
168 HB2 LEU 28 HB2 LEU 28 7.699 -1.476 2.425
169 HB3 LEU 28 HB3 LEU 28 9.260 -1.638 1.663
170 HG LEU 28 HG LEU 28 6.708 -0.667 0.374
171 HD11 LEU 28 HD11 LEU 28 7.810 0.940 1.824
172 HD12 LEU 28 HD12 LEU 28 7.921 1.420 0.129
173 HD13 LEU 28 HD13 LEU 28 9.319 0.713 0.938
174 HD21 LEU 28 HD21 LEU 28 7.952 -1.975 -1.247
175 HD22 LEU 28 HD22 LEU 28 9.426 -1.073 -0.851
176 HD23 LEU 28 HD23 LEU 28 8.062 -0.247 -1.610
177 H ASN 29 H ASN 29 6.463 -3.446 3.229
178 HA ASN 29 HA ASN 29 8.177 -5.386 4.599
179 HB2 ASN 29 HB2 ASN 29 6.870 -2.933 5.856
180 HB3 ASN 29 HB3 ASN 29 7.806 -4.161 6.691
181 HD21 ASN 29 HD21 ASN 29 8.138 -1.286 6.530
182 HD22 ASN 29 HD22 ASN 29 9.710 -0.985 5.928
183 HA PRO 30 HA PRO 30 4.350 -7.511 5.304
184 HB2 PRO 30 HB2 PRO 30 4.572 -7.324 8.257
185 HB3 PRO 30 HB3 PRO 30 4.436 -8.757 7.234
186 HG2 PRO 30 HG2 PRO 30 6.747 -8.108 8.384
187 HG3 PRO 30 HG3 PRO 30 6.694 -8.788 6.749
188 HD2 PRO 30 HD2 PRO 30 7.111 -5.961 7.621
189 HD3 PRO 30 HD3 PRO 30 7.885 -6.852 6.296
190 H TYR 31 H TYR 31 4.676 -4.850 7.670
191 HA TYR 31 HA TYR 31 1.773 -4.529 7.617
192 HB2 TYR 31 HB2 TYR 31 3.827 -3.057 9.302
193 HB3 TYR 31 HB3 TYR 31 2.088 -3.000 9.488
194 HD1 TYR 31 HD1 TYR 31 5.083 -5.138 9.929
195 HD2 TYR 31 HD2 TYR 31 0.917 -4.721 10.675
196 HE1 TYR 31 HE1 TYR 31 5.186 -6.994 11.529
197 HE2 TYR 31 HE2 TYR 31 1.017 -6.576 12.275
198 HH TYR 31 HH TYR 31 3.942 -7.829 13.440
199 H TYR 32 H TYR 32 4.700 -3.089 6.431
200 HA TYR 32 HA TYR 32 3.171 -0.730 5.647
201 HB2 TYR 32 HB2 TYR 32 5.338 -0.341 6.875
202 HB3 TYR 32 HB3 TYR 32 6.169 -1.026 5.490
203 HD1 TYR 32 HD1 TYR 32 3.900 1.724 6.478
204 HD2 TYR 32 HD2 TYR 32 6.684 0.294 3.602
205 HE1 TYR 32 HE1 TYR 32 3.864 3.909 5.379
206 HE2 TYR 32 HE2 TYR 32 6.662 2.476 2.485
207 HH TYR 32 HH TYR 32 5.232 5.235 3.950
208 H SER 33 H SER 33 2.318 -0.805 3.774
209 HA SER 33 HA SER 33 3.859 -1.842 1.519
210 HB2 SER 33 HB2 SER 33 0.842 -1.836 1.885
211 HB3 SER 33 HB3 SER 33 1.721 -2.540 0.528
212 HG SER 33 HG SER 33 2.755 -3.600 2.698
213 H GLN 34 H GLN 34 3.844 -0.377 -0.279
214 HA GLN 34 HA GLN 34 2.762 2.264 0.435
215 HB2 GLN 34 HB2 GLN 34 5.143 2.109 0.957
216 HB3 GLN 34 HB3 GLN 34 5.487 1.611 -0.688
217 HG2 GLN 34 HG2 GLN 34 4.805 3.764 -1.512
218 HG3 GLN 34 HG3 GLN 34 4.345 4.278 0.116
219 HE21 GLN 34 HE21 GLN 34 5.987 4.692 1.621
220 HE22 GLN 34 HE22 GLN 34 7.620 4.928 1.126
221 H CYS 35 H CYS 35 1.942 3.453 -1.213
222 HA CYS 35 HA CYS 35 1.418 2.135 -3.700
223 HB2 CYS 35 HB2 CYS 35 0.831 4.961 -2.811
224 HB3 CYS 35 HB3 CYS 35 0.280 4.260 -4.330
225 H LEU 36 H LEU 36 2.939 1.884 -5.050
226 HA LEU 36 HA LEU 36 4.623 4.136 -5.804
227 HB2 LEU 36 HB2 LEU 36 5.420 1.249 -5.467
228 HB3 LEU 36 HB3 LEU 36 6.403 2.443 -6.283
229 HG LEU 36 HG LEU 36 5.584 2.627 -3.384
230 HD11 LEU 36 HD11 LEU 36 8.202 1.751 -4.607
231 HD12 LEU 36 HD12 LEU 36 7.054 0.711 -3.760
232 HD13 LEU 36 HD13 LEU 36 7.887 1.998 -2.886
233 HD21 LEU 36 HD21 LEU 36 7.591 4.176 -5.024
234 HD22 LEU 36 HD22 LEU 36 7.330 4.343 -3.290
235 HD23 LEU 36 HD23 LEU 36 6.051 4.787 -4.418
236 H1 MAN 101 H1 MAN 101 -5.875 9.099 -6.038
237 H2 MAN 101 H2 MAN 101 -6.526 11.485 -4.308
238 H3 MAN 101 H3 MAN 101 -7.289 12.508 -6.254
239 H4 MAN 101 H4 MAN 101 -5.448 10.584 -7.702
240 H5 MAN 101 H5 MAN 101 -8.534 10.860 -7.819
241 H61 MAN 101 H61 MAN 101 -6.611 8.584 -8.432
242 H62 MAN 101 H62 MAN 101 -7.657 9.448 -9.583
243 HO2 MAN 101 HO2 MAN 101 -4.296 11.820 -4.928
244 HO3 MAN 101 HO3 MAN 101 -5.309 13.492 -5.660
245 HO4 MAN 101 HO4 MAN 101 -6.307 11.553 -9.595
246 HO6 MAN 101 HO6 MAN 101 -9.006 8.470 -7.396
Start of MODEL 20
1 H1 THR 1 H1 THR 1 -8.698 7.695 -2.468
2 H2 THR 1 H2 THR 1 -9.291 7.248 -3.977
3 H3 THR 1 H3 THR 1 -8.091 8.440 -3.850
4 HA THR 1 HA THR 1 -7.762 5.621 -3.151
5 HB THR 1 HB THR 1 -6.075 5.830 -5.104
6 HG21 THR 1 HG21 THR 1 -7.809 5.275 -6.773
7 HG22 THR 1 HG22 THR 1 -9.018 6.103 -5.838
8 HG23 THR 1 HG23 THR 1 -8.308 4.603 -5.214
9 H GLN 2 H GLN 2 -5.376 5.183 -2.708
10 HA GLN 2 HA GLN 2 -4.503 7.159 -0.808
11 HB2 GLN 2 HB2 GLN 2 -4.377 4.791 -0.203
12 HB3 GLN 2 HB3 GLN 2 -3.332 4.471 -1.575
13 HG2 GLN 2 HG2 GLN 2 -2.033 4.534 0.465
14 HG3 GLN 2 HG3 GLN 2 -1.592 5.882 -0.574
15 HE21 GLN 2 HE21 GLN 2 -2.965 4.928 2.421
16 HE22 GLN 2 HE22 GLN 2 -3.066 6.491 3.120
17 H SER 3 H SER 3 -2.644 8.302 -0.850
18 HA SER 3 HA SER 3 -1.901 9.359 -3.373
19 HB2 SER 3 HB2 SER 3 -0.684 9.780 -0.656
20 HB3 SER 3 HB3 SER 3 -0.554 10.862 -2.040
21 HG SER 3 HG SER 3 -3.135 10.237 -1.438
22 H HIS 4 H HIS 4 0.266 9.555 -4.160
23 HA HIS 4 HA HIS 4 1.798 7.160 -4.232
24 HB2 HIS 4 HB2 HIS 4 1.689 8.891 -6.055
25 HB3 HIS 4 HB3 HIS 4 2.598 9.980 -5.023
26 HD1 HIS 4 HD1 HIS 4 4.849 10.167 -6.066
27 HD2 HIS 4 HD2 HIS 4 3.474 6.245 -6.075
28 HE1 HIS 4 HE1 HIS 4 6.664 8.817 -7.136
29 HE2 HIS 4 HE2 HIS 4 5.701 6.513 -7.353
30 H TYR 5 H TYR 5 3.388 6.528 -2.888
31 HA TYR 5 HA TYR 5 4.691 6.364 -1.128
32 HB2 TYR 5 HB2 TYR 5 5.029 9.329 -1.492
33 HB3 TYR 5 HB3 TYR 5 5.789 8.501 -0.136
34 HD1 TYR 5 HD1 TYR 5 7.452 6.714 -0.630
35 HD2 TYR 5 HD2 TYR 5 5.962 9.267 -3.664
36 HE1 TYR 5 HE1 TYR 5 9.339 6.078 -2.067
37 HE2 TYR 5 HE2 TYR 5 7.844 8.635 -5.117
38 HH TYR 5 HH TYR 5 10.180 7.744 -4.798
39 H GLY 6 H GLY 6 1.821 6.818 -0.970
40 HA2 GLY 6 HA2 GLY 6 1.664 7.400 1.889
41 HA3 GLY 6 HA3 GLY 6 0.292 7.288 0.774
42 H GLN 7 H GLN 7 0.704 5.771 3.217
43 HA GLN 7 HA GLN 7 1.497 3.143 2.407
44 HB2 GLN 7 HB2 GLN 7 1.939 3.901 4.701
45 HB3 GLN 7 HB3 GLN 7 0.219 4.107 4.981
46 HG2 GLN 7 HG2 GLN 7 -0.138 1.719 4.794
47 HG3 GLN 7 HG3 GLN 7 1.554 1.478 4.386
48 HE21 GLN 7 HE21 GLN 7 -0.045 0.413 6.587
49 HE22 GLN 7 HE22 GLN 7 0.741 0.876 8.041
50 H CYS 8 H CYS 8 0.202 2.178 0.955
51 HA CYS 8 HA CYS 8 -2.635 2.350 0.952
52 HB2 CYS 8 HB2 CYS 8 -2.481 0.318 -0.567
53 HB3 CYS 8 HB3 CYS 8 -1.606 1.740 -1.115
54 H GLY 9 H GLY 9 -0.300 0.249 2.389
55 HA2 GLY 9 HA2 GLY 9 -0.882 -0.497 4.604
56 HA3 GLY 9 HA3 GLY 9 -2.520 -0.685 4.020
57 H GLY 10 H GLY 10 -0.097 -2.289 5.143
58 HA2 GLY 10 HA2 GLY 10 -0.496 -4.638 3.513
59 HA3 GLY 10 HA3 GLY 10 0.711 -4.424 4.791
60 H ILE 11 H ILE 11 -0.144 -6.374 5.712
61 HA ILE 11 HA ILE 11 -2.748 -6.810 6.541
62 HB ILE 11 HB ILE 11 -0.171 -7.649 7.901
63 HG12 ILE 11 HG12 ILE 11 -1.928 -9.116 5.919
64 HG13 ILE 11 HG13 ILE 11 -0.383 -8.367 5.543
65 HG21 ILE 11 HG21 ILE 11 -2.052 -7.837 9.425
66 HG22 ILE 11 HG22 ILE 11 -1.479 -9.435 8.941
67 HG23 ILE 11 HG23 ILE 11 -2.955 -8.773 8.227
68 HD11 ILE 11 HD11 ILE 11 -0.172 -10.771 5.792
69 HD12 ILE 11 HD12 ILE 11 -0.824 -10.675 7.428
70 HD13 ILE 11 HD13 ILE 11 0.733 -9.938 7.055
71 H GLY 12 H GLY 12 -4.012 -5.749 7.915
72 HA2 GLY 12 HA2 GLY 12 -4.422 -5.092 10.199
73 HA3 GLY 12 HA3 GLY 12 -2.781 -4.467 10.258
74 H TYR 13 H TYR 13 -3.172 -3.258 7.532
75 HA TYR 13 HA TYR 13 -4.316 -0.798 8.570
76 HB2 TYR 13 HB2 TYR 13 -2.118 -0.807 7.392
77 HB3 TYR 13 HB3 TYR 13 -2.938 -1.336 5.935
78 HD1 TYR 13 HD1 TYR 13 -2.106 1.490 8.059
79 HD2 TYR 13 HD2 TYR 13 -4.458 0.269 4.734
80 HE1 TYR 13 HE1 TYR 13 -2.400 3.845 7.406
81 HE2 TYR 13 HE2 TYR 13 -4.769 2.603 4.081
82 HH TYR 13 HH TYR 13 -2.922 5.121 5.289
83 H SER 14 H SER 14 -6.455 -0.586 8.365
84 HA SER 14 HA SER 14 -7.776 -1.739 6.025
85 HB2 SER 14 HB2 SER 14 -9.821 -1.322 7.593
86 HB3 SER 14 HB3 SER 14 -8.761 -2.704 7.870
87 HG SER 14 HG SER 14 -9.074 -0.343 9.314
88 H GLY 15 H GLY 15 -6.418 0.881 6.119
89 HA2 GLY 15 HA2 GLY 15 -8.612 2.788 5.876
90 HA3 GLY 15 HA3 GLY 15 -6.891 3.157 5.769
91 HA PRO 16 HA PRO 16 -8.279 3.189 1.432
92 HB2 PRO 16 HB2 PRO 16 -6.453 5.019 0.546
93 HB3 PRO 16 HB3 PRO 16 -8.007 5.463 1.258
94 HG2 PRO 16 HG2 PRO 16 -5.295 5.468 2.481
95 HG3 PRO 16 HG3 PRO 16 -6.646 6.585 2.739
96 HD2 PRO 16 HD2 PRO 16 -5.942 4.552 4.460
97 HD3 PRO 16 HD3 PRO 16 -7.560 5.266 4.372
98 H THR 17 H THR 17 -7.598 1.181 0.908
99 HA THR 17 HA THR 17 -4.793 0.549 0.825
100 HB THR 17 HB THR 17 -5.679 -1.720 0.178
101 HG1 THR 17 HG1 THR 17 -8.130 -1.643 0.925
102 HG21 THR 17 HG21 THR 17 -6.524 -2.232 2.427
103 HG22 THR 17 HG22 THR 17 -6.781 -0.511 2.731
104 HG23 THR 17 HG23 THR 17 -5.147 -1.133 2.528
105 H VAL 18 H VAL 18 -7.296 1.525 -1.307
106 HA VAL 18 HA VAL 18 -6.067 0.424 -3.673
107 HB VAL 18 HB VAL 18 -8.308 2.465 -3.469
108 HG11 VAL 18 HG11 VAL 18 -8.842 1.802 -5.765
109 HG12 VAL 18 HG12 VAL 18 -7.439 0.734 -5.785
110 HG13 VAL 18 HG13 VAL 18 -7.215 2.479 -5.646
111 HG21 VAL 18 HG21 VAL 18 -9.837 0.591 -3.864
112 HG22 VAL 18 HG22 VAL 18 -8.920 0.357 -2.372
113 HG23 VAL 18 HG23 VAL 18 -8.479 -0.529 -3.826
114 H CYS 19 H CYS 19 -4.403 1.312 -4.590
115 HA CYS 19 HA CYS 19 -3.408 3.841 -3.775
116 HB2 CYS 19 HB2 CYS 19 -2.448 1.834 -5.792
117 HB3 CYS 19 HB3 CYS 19 -1.610 3.345 -5.446
118 H ALA 20 H ALA 20 -2.758 5.524 -5.159
119 HA ALA 20 HA ALA 20 -4.695 6.661 -6.737
120 HB1 ALA 20 HB1 ALA 20 -1.709 7.119 -6.806
121 HB2 ALA 20 HB2 ALA 20 -2.840 7.895 -5.701
122 HB3 ALA 20 HB3 ALA 20 -2.938 8.217 -7.434
123 H SER 21 H SER 21 -4.817 6.984 -8.966
124 HA SER 21 HA SER 21 -4.445 4.634 -10.471
125 HB2 SER 21 HB2 SER 21 -5.104 7.437 -11.404
126 HB3 SER 21 HB3 SER 21 -5.460 5.925 -12.248
127 HG SER 21 HG SER 21 -6.547 5.465 -10.049
128 H GLY 22 H GLY 22 -2.541 3.967 -11.137
129 HA2 GLY 22 HA2 GLY 22 -0.746 4.276 -12.731
130 HA3 GLY 22 HA3 GLY 22 -0.646 5.952 -12.204
131 H THR 23 H THR 23 -1.175 4.168 -9.484
132 HA THR 23 HA THR 23 1.698 3.708 -9.054
133 HB THR 23 HB THR 23 1.407 4.343 -6.675
134 HG1 THR 23 HG1 THR 23 -1.273 4.705 -7.503
135 HG21 THR 23 HG21 THR 23 2.079 6.094 -8.239
136 HG22 THR 23 HG22 THR 23 1.068 6.753 -6.953
137 HG23 THR 23 HG23 THR 23 0.384 6.465 -8.556
138 H THR 24 H THR 24 2.207 1.910 -7.639
139 HA THR 24 HA THR 24 -0.007 -0.009 -7.510
140 HB THR 24 HB THR 24 1.798 -1.783 -7.580
141 HG1 THR 24 HG1 THR 24 3.382 0.508 -7.702
142 HG21 THR 24 HG21 THR 24 0.509 -1.224 -9.597
143 HG22 THR 24 HG22 THR 24 2.176 -1.619 -10.008
144 HG23 THR 24 HG23 THR 24 1.654 0.065 -9.970
145 H CYS 25 H CYS 25 -0.211 -1.298 -5.620
146 HA CYS 25 HA CYS 25 0.830 -0.031 -3.247
147 HB2 CYS 25 HB2 CYS 25 -1.527 -0.842 -3.326
148 HB3 CYS 25 HB3 CYS 25 -0.953 -2.481 -3.583
149 H GLN 26 H GLN 26 2.967 -0.464 -3.005
150 HA GLN 26 HA GLN 26 3.824 -3.170 -3.599
151 HB2 GLN 26 HB2 GLN 26 5.481 -0.694 -3.169
152 HB3 GLN 26 HB3 GLN 26 6.119 -2.285 -3.560
153 HG2 GLN 26 HG2 GLN 26 4.776 -2.240 -5.654
154 HG3 GLN 26 HG3 GLN 26 4.342 -0.576 -5.275
155 HE21 GLN 26 HE21 GLN 26 5.324 0.197 -7.123
156 HE22 GLN 26 HE22 GLN 26 7.031 0.292 -7.298
157 H VAL 27 H VAL 27 4.079 -4.546 -2.139
158 HA VAL 27 HA VAL 27 4.031 -3.974 0.642
159 HB VAL 27 HB VAL 27 4.765 -6.562 -0.777
160 HG11 VAL 27 HG11 VAL 27 4.166 -7.666 1.329
161 HG12 VAL 27 HG12 VAL 27 3.917 -6.091 2.079
162 HG13 VAL 27 HG13 VAL 27 5.525 -6.561 1.531
163 HG21 VAL 27 HG21 VAL 27 2.451 -7.248 -0.364
164 HG22 VAL 27 HG22 VAL 27 2.521 -5.808 -1.384
165 HG23 VAL 27 HG23 VAL 27 2.110 -5.664 0.325
166 H LEU 28 H LEU 28 5.701 -2.870 1.379
167 HA LEU 28 HA LEU 28 8.407 -3.458 0.530
168 HB2 LEU 28 HB2 LEU 28 7.319 -1.466 2.520
169 HB3 LEU 28 HB3 LEU 28 8.997 -1.560 2.019
170 HG LEU 28 HG LEU 28 6.666 -0.858 0.217
171 HD11 LEU 28 HD11 LEU 28 8.851 0.866 1.367
172 HD12 LEU 28 HD12 LEU 28 7.144 0.903 1.810
173 HD13 LEU 28 HD13 LEU 28 7.642 1.376 0.189
174 HD21 LEU 28 HD21 LEU 28 9.622 -0.862 -0.285
175 HD22 LEU 28 HD22 LEU 28 8.390 -0.263 -1.399
176 HD23 LEU 28 HD23 LEU 28 8.453 -1.982 -0.993
177 H ASN 29 H ASN 29 6.356 -3.661 3.353
178 HA ASN 29 HA ASN 29 8.131 -5.666 4.523
179 HB2 ASN 29 HB2 ASN 29 6.791 -3.409 6.084
180 HB3 ASN 29 HB3 ASN 29 7.727 -4.716 6.762
181 HD21 ASN 29 HD21 ASN 29 8.126 -1.852 7.033
182 HD22 ASN 29 HD22 ASN 29 9.719 -1.563 6.439
183 HA PRO 30 HA PRO 30 4.445 -8.091 5.023
184 HB2 PRO 30 HB2 PRO 30 4.635 -7.872 7.994
185 HB3 PRO 30 HB3 PRO 30 4.435 -9.313 6.985
186 HG2 PRO 30 HG2 PRO 30 6.791 -8.752 8.060
187 HG3 PRO 30 HG3 PRO 30 6.687 -9.372 6.403
188 HD2 PRO 30 HD2 PRO 30 7.217 -6.607 7.369
189 HD3 PRO 30 HD3 PRO 30 7.888 -7.443 5.955
190 H TYR 31 H TYR 31 4.513 -5.375 7.317
191 HA TYR 31 HA TYR 31 1.601 -5.185 7.057
192 HB2 TYR 31 HB2 TYR 31 3.380 -3.891 9.142
193 HB3 TYR 31 HB3 TYR 31 1.629 -3.901 9.106
194 HD1 TYR 31 HD1 TYR 31 0.417 -6.069 9.418
195 HD2 TYR 31 HD2 TYR 31 4.591 -5.715 10.115
196 HE1 TYR 31 HE1 TYR 31 0.369 -8.144 10.715
197 HE2 TYR 31 HE2 TYR 31 4.551 -7.800 11.420
198 HH TYR 31 HH TYR 31 2.878 -9.130 12.697
199 H TYR 32 H TYR 32 4.528 -3.673 6.156
200 HA TYR 32 HA TYR 32 3.178 -1.110 5.684
201 HB2 TYR 32 HB2 TYR 32 5.344 -1.057 6.909
202 HB3 TYR 32 HB3 TYR 32 6.122 -1.738 5.491
203 HD1 TYR 32 HD1 TYR 32 3.811 1.118 6.179
204 HD2 TYR 32 HD2 TYR 32 7.378 -0.215 4.279
205 HE1 TYR 32 HE1 TYR 32 4.259 3.405 5.422
206 HE2 TYR 32 HE2 TYR 32 7.810 2.084 3.500
207 HH TYR 32 HH TYR 32 6.043 4.741 4.745
208 H SER 33 H SER 33 2.312 -0.912 3.814
209 HA SER 33 HA SER 33 3.797 -1.722 1.448
210 HB2 SER 33 HB2 SER 33 0.808 -1.979 1.865
211 HB3 SER 33 HB3 SER 33 1.691 -2.422 0.405
212 HG SER 33 HG SER 33 2.837 -3.673 2.452
213 H GLN 34 H GLN 34 3.789 -0.123 -0.079
214 HA GLN 34 HA GLN 34 2.271 2.274 0.594
215 HB2 GLN 34 HB2 GLN 34 4.410 2.610 1.585
216 HB3 GLN 34 HB3 GLN 34 5.238 2.043 0.148
217 HG2 GLN 34 HG2 GLN 34 4.750 4.000 -1.025
218 HG3 GLN 34 HG3 GLN 34 3.550 4.517 0.168
219 HE21 GLN 34 HE21 GLN 34 6.913 4.196 -0.542
220 HE22 GLN 34 HE22 GLN 34 7.473 5.191 0.742
221 H CYS 35 H CYS 35 1.685 3.579 -1.083
222 HA CYS 35 HA CYS 35 1.431 2.292 -3.614
223 HB2 CYS 35 HB2 CYS 35 0.650 5.063 -2.729
224 HB3 CYS 35 HB3 CYS 35 0.203 4.329 -4.267
225 H LEU 36 H LEU 36 3.076 2.144 -4.829
226 HA LEU 36 HA LEU 36 4.688 4.503 -5.391
227 HB2 LEU 36 HB2 LEU 36 5.561 1.607 -5.327
228 HB3 LEU 36 HB3 LEU 36 6.569 2.970 -5.759
229 HG LEU 36 HG LEU 36 5.393 2.472 -3.026
230 HD11 LEU 36 HD11 LEU 36 7.158 0.888 -3.574
231 HD12 LEU 36 HD12 LEU 36 7.674 2.043 -2.345
232 HD13 LEU 36 HD13 LEU 36 8.227 2.225 -4.012
233 HD21 LEU 36 HD21 LEU 36 7.261 4.596 -4.039
234 HD22 LEU 36 HD22 LEU 36 6.877 4.313 -2.349
235 HD23 LEU 36 HD23 LEU 36 5.610 4.831 -3.462
236 H1 MAN 101 H1 MAN 101 -6.773 6.908 -7.605
237 H2 MAN 101 H2 MAN 101 -6.269 9.793 -6.874
238 H3 MAN 101 H3 MAN 101 -7.965 10.400 -8.321
239 H4 MAN 101 H4 MAN 101 -7.297 7.846 -9.846
240 H5 MAN 101 H5 MAN 101 -9.947 8.637 -8.527
241 H61 MAN 101 H61 MAN 101 -8.582 5.987 -9.080
242 H62 MAN 101 H62 MAN 101 -9.973 6.647 -9.967
243 HO2 MAN 101 HO2 MAN 101 -4.982 9.467 -8.717
244 HO3 MAN 101 HO3 MAN 101 -6.869 10.680 -10.367
245 HO4 MAN 101 HO4 MAN 101 -9.239 9.913 -10.371
246 HO6 MAN 101 HO6 MAN 101 -10.290 6.669 -7.237
Contact the webmaster for help, if required. Saturday, April 20, 2024 4:49:59 AM GMT (wattos1)