Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
594046 | 2mwk RC | 25332 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 THR 1 H1 THR 1 -8.720 6.307 2.125
2 H2 THR 1 H2 THR 1 -7.319 7.150 1.652
3 H3 THR 1 H3 THR 1 -7.648 6.867 3.320
4 HA THR 1 HA THR 1 -6.374 5.014 3.053
5 HB THR 1 HB THR 1 -7.723 3.126 1.562
6 HG21 THR 1 HG21 THR 1 -7.621 3.084 3.993
7 HG22 THR 1 HG22 THR 1 -9.322 2.869 3.517
8 HG23 THR 1 HG23 THR 1 -8.760 4.446 4.172
9 H GLN 2 H GLN 2 -5.518 3.184 1.267
10 HA GLN 2 HA GLN 2 -5.007 4.564 -1.292
11 HB2 GLN 2 HB2 GLN 2 -3.137 3.308 0.407
12 HB3 GLN 2 HB3 GLN 2 -3.531 1.977 -0.687
13 HG2 GLN 2 HG2 GLN 2 -1.746 3.099 -1.837
14 HG3 GLN 2 HG3 GLN 2 -3.195 3.660 -2.703
15 HE21 GLN 2 HE21 GLN 2 -1.126 4.438 0.105
16 HE22 GLN 2 HE22 GLN 2 -1.418 6.151 0.078
17 H SER 3 H SER 3 -5.125 3.153 -3.220
18 HA SER 3 HA SER 3 -7.491 1.612 -3.175
19 HB2 SER 3 HB2 SER 3 -5.990 1.327 -5.699
20 HB3 SER 3 HB3 SER 3 -7.530 2.226 -5.384
21 H HIS 4 H HIS 4 -7.628 -0.520 -4.437
22 HA HIS 4 HA HIS 4 -6.109 -2.522 -3.157
23 HB2 HIS 4 HB2 HIS 4 -8.420 -2.669 -4.453
24 HB3 HIS 4 HB3 HIS 4 -7.421 -2.889 -5.926
25 HD1 HIS 4 HD1 HIS 4 -9.173 -5.163 -5.380
26 HD2 HIS 4 HD2 HIS 4 -5.642 -4.853 -3.138
27 HE1 HIS 4 HE1 HIS 4 -8.665 -7.459 -4.463
28 HE2 HIS 4 HE2 HIS 4 -6.781 -7.003 -2.801
29 H TYR 5 H TYR 5 -4.189 -3.407 -3.525
30 HA TYR 5 HA TYR 5 -2.287 -3.891 -4.350
31 HB2 TYR 5 HB2 TYR 5 -3.130 -3.223 -7.204
32 HB3 TYR 5 HB3 TYR 5 -1.815 -4.327 -6.683
33 HD1 TYR 5 HD1 TYR 5 -2.485 -6.482 -5.356
34 HD2 TYR 5 HD2 TYR 5 -5.290 -3.973 -7.429
35 HE1 TYR 5 HE1 TYR 5 -4.114 -8.345 -5.410
36 HE2 TYR 5 HE2 TYR 5 -6.929 -5.833 -7.466
37 HH TYR 5 HH TYR 5 -6.103 -9.064 -6.653
38 H GLY 6 H GLY 6 -3.232 -1.013 -3.797
39 HA2 GLY 6 HA2 GLY 6 -1.060 0.515 -5.061
40 HA3 GLY 6 HA3 GLY 6 -2.382 1.104 -3.969
41 H GLN 7 H GLN 7 -0.030 2.122 -3.316
42 HA GLN 7 HA GLN 7 1.312 0.220 -1.561
43 HB2 GLN 7 HB2 GLN 7 2.477 1.723 -3.208
44 HB3 GLN 7 HB3 GLN 7 1.979 3.123 -2.256
45 HG2 GLN 7 HG2 GLN 7 3.376 2.495 -0.369
46 HG3 GLN 7 HG3 GLN 7 3.328 0.773 -0.846
47 HE21 GLN 7 HE21 GLN 7 5.569 0.860 -0.459
48 HE22 GLN 7 HE22 GLN 7 6.632 1.216 -1.833
49 H CYS 8 H CYS 8 0.787 0.071 0.613
50 HA CYS 8 HA CYS 8 -0.395 2.497 1.911
51 HB2 CYS 8 HB2 CYS 8 -1.779 1.046 2.822
52 HB3 CYS 8 HB3 CYS 8 -0.870 -0.362 2.184
53 H GLY 9 H GLY 9 2.548 0.768 1.495
54 HA2 GLY 9 HA2 GLY 9 3.895 2.542 3.355
55 HA3 GLY 9 HA3 GLY 9 3.811 0.794 3.836
56 H GLY 10 H GLY 10 6.256 2.363 3.107
57 HA2 GLY 10 HA2 GLY 10 7.332 0.395 1.359
58 HA3 GLY 10 HA3 GLY 10 7.117 2.031 0.575
59 H ILE 11 H ILE 11 9.654 1.017 0.906
60 HA ILE 11 HA ILE 11 10.843 2.242 3.192
61 HB ILE 11 HB ILE 11 11.763 1.128 0.573
62 HG12 ILE 11 HG12 ILE 11 11.289 -0.016 3.000
63 HG13 ILE 11 HG13 ILE 11 12.542 -0.601 1.883
64 HG21 ILE 11 HG21 ILE 11 13.170 3.125 0.630
65 HG22 ILE 11 HG22 ILE 11 14.170 1.759 1.212
66 HG23 ILE 11 HG23 ILE 11 13.489 2.930 2.392
67 HD11 ILE 11 HD11 ILE 11 13.183 1.386 4.143
68 HD12 ILE 11 HD12 ILE 11 14.337 0.458 3.105
69 HD13 ILE 11 HD13 ILE 11 13.305 -0.408 4.289
70 H GLY 12 H GLY 12 9.941 3.455 0.015
71 HA2 GLY 12 HA2 GLY 12 10.572 6.212 0.911
72 HA3 GLY 12 HA3 GLY 12 11.018 5.584 -0.723
73 H TYR 13 H TYR 13 8.084 5.228 1.321
74 HA TYR 13 HA TYR 13 6.560 6.095 -1.047
75 HB2 TYR 13 HB2 TYR 13 6.035 3.786 -0.242
76 HB3 TYR 13 HB3 TYR 13 5.589 4.461 1.376
77 HD1 TYR 13 HD2 TYR 13 5.011 5.243 -2.266
78 HD2 TYR 13 HD1 TYR 13 3.220 4.724 1.624
79 HE1 TYR 13 HE2 TYR 13 2.809 5.801 -3.211
80 HE2 TYR 13 HE1 TYR 13 1.006 5.176 0.644
81 HH TYR 13 HH TYR 13 -0.115 5.335 -1.478
82 H SER 14 H SER 14 5.019 7.693 -0.975
83 HA SER 14 HA SER 14 4.736 9.167 1.559
84 HB2 SER 14 HB2 SER 14 4.988 10.952 -0.845
85 HB3 SER 14 HB3 SER 14 5.702 11.088 0.823
86 H GLY 15 H GLY 15 2.669 7.661 1.099
87 HA2 GLY 15 HA2 GLY 15 0.656 9.590 0.244
88 HA3 GLY 15 HA3 GLY 15 0.705 7.982 -0.586
89 HA PRO 16 HA PRO 16 -1.981 7.928 3.268
90 HB2 PRO 16 HB2 PRO 16 -3.409 6.118 1.247
91 HB3 PRO 16 HB3 PRO 16 -4.161 7.190 2.485
92 HG2 PRO 16 HG2 PRO 16 -3.903 7.844 -0.227
93 HG3 PRO 16 HG3 PRO 16 -3.904 9.106 1.066
94 HD2 PRO 16 HD2 PRO 16 -1.642 8.134 -0.628
95 HD3 PRO 16 HD3 PRO 16 -1.758 9.635 0.391
96 H THR 17 H THR 17 -1.814 6.475 4.966
97 HA THR 17 HA THR 17 -0.362 3.988 4.345
98 HB THR 17 HB THR 17 0.948 5.494 5.598
99 HG1 THR 17 HG1 THR 17 1.376 3.678 6.615
100 HG21 THR 17 HG21 THR 17 -1.409 5.637 7.604
101 HG22 THR 17 HG22 THR 17 -0.920 6.978 6.481
102 HG23 THR 17 HG23 THR 17 0.191 6.438 7.770
103 H VAL 18 H VAL 18 -3.308 4.475 4.238
104 HA VAL 18 HA VAL 18 -4.124 2.282 6.084
105 HB VAL 18 HB VAL 18 -5.843 4.670 5.226
106 HG11 VAL 18 HG11 VAL 18 -6.480 2.741 7.524
107 HG12 VAL 18 HG12 VAL 18 -6.857 2.186 5.871
108 HG13 VAL 18 HG13 VAL 18 -7.604 3.689 6.494
109 HG21 VAL 18 HG21 VAL 18 -4.385 3.991 7.862
110 HG22 VAL 18 HG22 VAL 18 -5.669 5.246 7.732
111 HG23 VAL 18 HG23 VAL 18 -4.115 5.442 6.840
112 H CYS 19 H CYS 19 -4.854 0.535 4.946
113 HA CYS 19 HA CYS 19 -5.408 0.845 2.118
114 HB2 CYS 19 HB2 CYS 19 -5.431 -1.480 4.084
115 HB3 CYS 19 HB3 CYS 19 -5.875 -1.703 2.386
116 H ALA 20 H ALA 20 -7.292 0.484 1.051
117 HA ALA 20 HA ALA 20 -9.601 1.677 1.832
118 HB1 ALA 20 HB1 ALA 20 -10.584 0.629 -0.165
119 HB2 ALA 20 HB2 ALA 20 -9.488 -0.788 -0.021
120 HB3 ALA 20 HB3 ALA 20 -8.827 0.784 -0.547
121 H SER 21 H SER 21 -11.767 0.988 2.559
122 HA SER 21 HA SER 21 -11.559 -0.881 4.570
123 HB2 SER 21 HB2 SER 21 -14.197 -0.208 3.160
124 HB3 SER 21 HB3 SER 21 -13.876 -0.481 4.924
125 HG SER 21 HG SER 21 -14.095 1.737 4.471
126 H GLY 22 H GLY 22 -11.743 -1.498 1.296
127 HA2 GLY 22 HA2 GLY 22 -12.686 -4.291 1.583
128 HA3 GLY 22 HA3 GLY 22 -12.474 -3.366 0.056
129 H THR 23 H THR 23 -9.774 -2.582 1.858
130 HA THR 23 HA THR 23 -8.269 -4.843 0.828
131 HB THR 23 HB THR 23 -6.410 -3.476 0.092
132 HG1 THR 23 HG1 THR 23 -6.367 -1.414 0.089
133 HG21 THR 23 HG21 THR 23 -9.111 -2.883 -1.226
134 HG22 THR 23 HG22 THR 23 -7.739 -3.895 -1.805
135 HG23 THR 23 HG23 THR 23 -7.621 -2.093 -1.825
136 H THR 24 H THR 24 -6.167 -5.120 1.969
137 HA THR 24 HA THR 24 -6.065 -3.712 4.608
138 HB THR 24 HB THR 24 -5.202 -5.930 5.563
139 HG1 THR 24 HG1 THR 24 -6.442 -6.825 3.141
140 HG21 THR 24 HG21 THR 24 -7.431 -5.262 6.209
141 HG22 THR 24 HG22 THR 24 -7.600 -6.941 5.578
142 HG23 THR 24 HG23 THR 24 -8.099 -5.550 4.567
143 H CYS 25 H CYS 25 -4.003 -3.381 5.608
144 HA CYS 25 HA CYS 25 -1.889 -2.963 3.683
145 HB2 CYS 25 HB2 CYS 25 -2.103 -2.620 6.722
146 HB3 CYS 25 HB3 CYS 25 -0.546 -2.394 5.885
147 H GLN 26 H GLN 26 -0.628 -4.579 2.911
148 HA GLN 26 HA GLN 26 0.483 -6.410 4.940
149 HB2 GLN 26 HB2 GLN 26 -0.462 -7.429 2.219
150 HB3 GLN 26 HB3 GLN 26 0.106 -8.387 3.605
151 HG2 GLN 26 HG2 GLN 26 -1.968 -7.743 4.907
152 HG3 GLN 26 HG3 GLN 26 -2.543 -6.765 3.507
153 HE21 GLN 26 HE21 GLN 26 -4.470 -8.154 3.539
154 HE22 GLN 26 HE22 GLN 26 -4.378 -9.701 2.756
155 H VAL 27 H VAL 27 2.378 -7.646 3.997
156 HA VAL 27 HA VAL 27 3.994 -5.679 2.519
157 HB VAL 27 HB VAL 27 4.679 -7.917 4.437
158 HG11 VAL 27 HG11 VAL 27 6.377 -8.098 2.676
159 HG12 VAL 27 HG12 VAL 27 7.105 -7.157 4.020
160 HG13 VAL 27 HG13 VAL 27 6.517 -6.297 2.554
161 HG21 VAL 27 HG21 VAL 27 5.746 -5.950 5.642
162 HG22 VAL 27 HG22 VAL 27 3.975 -5.716 5.426
163 HG23 VAL 27 HG23 VAL 27 5.139 -4.847 4.364
164 H LEU 28 H LEU 28 4.572 -6.002 0.443
165 HA LEU 28 HA LEU 28 4.420 -8.757 -0.625
166 HB2 LEU 28 HB2 LEU 28 3.170 -7.180 -1.876
167 HB3 LEU 28 HB3 LEU 28 4.433 -5.928 -1.801
168 HG LEU 28 HG LEU 28 5.770 -7.058 -3.516
169 HD11 LEU 28 HD11 LEU 28 5.908 -9.293 -3.265
170 HD12 LEU 28 HD12 LEU 28 4.644 -9.290 -4.523
171 HD13 LEU 28 HD13 LEU 28 4.178 -9.505 -2.793
172 HD21 LEU 28 HD21 LEU 28 4.258 -5.900 -4.790
173 HD22 LEU 28 HD22 LEU 28 2.812 -6.714 -4.068
174 HD23 LEU 28 HD23 LEU 28 3.811 -7.538 -5.313
175 H ASN 29 H ASN 29 6.635 -6.209 0.390
176 HA ASN 29 HA ASN 29 8.910 -7.855 0.124
177 HB2 ASN 29 HB2 ASN 29 9.930 -5.743 -1.542
178 HB3 ASN 29 HB3 ASN 29 9.616 -7.442 -2.008
179 HD21 ASN 29 HD21 ASN 29 6.954 -5.127 -1.356
180 HD22 ASN 29 HD22 ASN 29 6.487 -5.095 -3.032
181 HA PRO 30 HA PRO 30 10.024 -4.920 3.110
182 HB2 PRO 30 HB2 PRO 30 12.859 -4.680 2.885
183 HB3 PRO 30 HB3 PRO 30 11.994 -6.081 3.604
184 HG2 PRO 30 HG2 PRO 30 13.278 -5.861 0.864
185 HG3 PRO 30 HG3 PRO 30 13.085 -7.303 1.925
186 HD2 PRO 30 HD2 PRO 30 11.483 -6.634 -0.312
187 HD3 PRO 30 HD3 PRO 30 11.001 -7.811 0.989
188 H TYR 31 H TYR 31 10.070 -3.912 -0.022
189 HA TYR 31 HA TYR 31 10.680 -1.117 0.721
190 HB2 TYR 31 HB2 TYR 31 11.461 -2.620 -1.869
191 HB3 TYR 31 HB3 TYR 31 11.479 -0.824 -1.730
192 HD1 TYR 31 HD2 TYR 31 12.878 -3.928 -0.107
193 HD2 TYR 31 HD1 TYR 31 13.401 0.255 -0.893
194 HE1 TYR 31 HE2 TYR 31 14.994 -3.960 1.172
195 HE2 TYR 31 HE1 TYR 31 15.564 0.200 0.319
196 HH TYR 31 HH TYR 31 16.667 -2.704 2.041
197 H TYR 32 H TYR 32 8.222 -3.162 0.080
198 HA TYR 32 HA TYR 32 6.535 -1.082 -0.788
199 HB2 TYR 32 HB2 TYR 32 7.241 -1.266 -2.992
200 HB3 TYR 32 HB3 TYR 32 7.335 -3.004 -2.997
201 HD1 TYR 32 HD2 TYR 32 5.251 -0.124 -3.381
202 HD2 TYR 32 HD1 TYR 32 5.132 -4.401 -3.327
203 HE1 TYR 32 HE2 TYR 32 2.903 -0.081 -4.164
204 HE2 TYR 32 HE1 TYR 32 2.851 -4.348 -4.192
205 HH TYR 32 HH TYR 32 1.195 -1.401 -5.040
206 H SER 33 H SER 33 4.943 -1.189 0.584
207 HA SER 33 HA SER 33 3.828 -3.825 1.263
208 HB2 SER 33 HB2 SER 33 3.396 -1.155 2.712
209 HB3 SER 33 HB3 SER 33 2.812 -2.762 3.237
210 HG SER 33 HG SER 33 5.074 -3.349 3.381
211 H GLN 34 H GLN 34 1.812 -4.241 0.675
212 HA GLN 34 HA GLN 34 0.698 -2.322 -1.245
213 HB2 GLN 34 HB2 GLN 34 1.737 -4.348 -2.148
214 HB3 GLN 34 HB3 GLN 34 0.707 -5.394 -1.134
215 HG2 GLN 34 HG2 GLN 34 -1.324 -4.679 -2.365
216 HG3 GLN 34 HG3 GLN 34 -0.397 -3.395 -3.217
217 HE21 GLN 34 HE21 GLN 34 0.410 -3.968 -5.228
218 HE22 GLN 34 HE22 GLN 34 0.429 -5.620 -5.825
219 H CYS 35 H CYS 35 -1.578 -2.218 -1.409
220 HA CYS 35 HA CYS 35 -3.086 -3.053 0.980
221 HB2 CYS 35 HB2 CYS 35 -3.511 -1.152 -1.381
222 HB3 CYS 35 HB3 CYS 35 -4.911 -1.601 -0.367
223 H LEU 36 H LEU 36 -4.070 -4.976 1.008
224 HA LEU 36 HA LEU 36 -4.884 -6.099 -1.585
225 HB2 LEU 36 HB2 LEU 36 -4.158 -7.377 1.097
226 HB3 LEU 36 HB3 LEU 36 -4.751 -8.285 -0.329
227 HG LEU 36 HG LEU 36 -2.417 -8.584 -0.295
228 HD11 LEU 36 HD11 LEU 36 -3.582 -7.905 -2.535
229 HD12 LEU 36 HD12 LEU 36 -1.782 -7.774 -2.496
230 HD13 LEU 36 HD13 LEU 36 -2.802 -6.297 -2.338
231 HD21 LEU 36 HD21 LEU 36 -2.018 -6.431 1.180
232 HD22 LEU 36 HD22 LEU 36 -1.792 -5.595 -0.378
233 HD23 LEU 36 HD23 LEU 36 -0.710 -6.958 0.038
234 H1 MAN 101 H1 MAN 37 -9.505 2.824 0.230
235 H2 MAN 101 H2 MAN 37 -7.723 4.130 -0.779
236 H3 MAN 101 H3 MAN 37 -8.620 6.289 -0.050
237 H4 MAN 101 H4 MAN 37 -10.614 5.912 -2.307
238 H5 MAN 101 H5 MAN 37 -11.036 6.080 0.734
239 H61 MAN 101 H61 MAN 37 -12.917 5.288 -1.556
240 H62 MAN 101 H62 MAN 37 -12.915 6.865 -0.686
241 HO2 MAN 101 HO2 MAN 37 -9.306 2.824 -2.094
242 HO3 MAN 101 HO3 MAN 37 -8.066 6.179 -2.843
243 HO4 MAN 101 HO4 MAN 37 -10.169 8.076 -2.038
244 HO6 MAN 101 HO6 MAN 37 -13.022 4.566 0.927
245 H1 MAN 102 H1 MAN 38 -6.472 3.776 -7.068
246 H2 MAN 102 H2 MAN 38 -4.829 1.890 -7.234
247 H3 MAN 102 H3 MAN 38 -3.518 2.554 -5.252
248 H4 MAN 102 H4 MAN 38 -2.437 4.774 -7.035
249 H5 MAN 102 H5 MAN 38 -4.149 5.001 -4.497
250 H61 MAN 102 H61 MAN 38 -3.290 7.076 -6.577
251 H62 MAN 102 H62 MAN 38 -2.586 6.883 -4.923
252 HO2 MAN 102 HO2 MAN 38 -3.509 2.798 -8.849
253 HO3 MAN 102 HO3 MAN 38 -2.400 1.165 -6.561
254 HO4 MAN 102 HO4 MAN 38 -0.869 4.663 -5.636
255 HO6 MAN 102 HO6 MAN 38 -4.330 8.512 -5.144
256 H1 MAN 103 H1 MAN 39 7.992 11.395 0.229
257 H2 MAN 103 H2 MAN 39 6.255 12.567 -1.169
258 H3 MAN 103 H3 MAN 39 6.063 10.721 -2.838
259 H4 MAN 103 H4 MAN 39 8.777 11.744 -3.786
260 H5 MAN 103 H5 MAN 39 7.906 9.055 -2.570
261 H61 MAN 103 H61 MAN 39 10.644 10.138 -3.431
262 H62 MAN 103 H62 MAN 39 9.722 8.804 -4.207
263 HO2 MAN 103 HO2 MAN 39 8.902 12.997 -1.243
264 HO3 MAN 103 HO3 MAN 39 5.275 12.717 -3.516
265 HO4 MAN 103 HO4 MAN 39 7.304 11.062 -5.416
266 HO6 MAN 103 HO6 MAN 39 9.858 7.747 -2.037
Start of MODEL 2
1 H1 THR 1 H1 THR 1 -6.889 7.662 1.207
2 H2 THR 1 H2 THR 1 -7.398 7.392 2.832
3 H3 THR 1 H3 THR 1 -8.323 6.809 1.535
4 HA THR 1 HA THR 1 -6.004 5.581 2.684
5 HB THR 1 HB THR 1 -7.295 3.579 1.343
6 HG21 THR 1 HG21 THR 1 -7.261 3.852 3.776
7 HG22 THR 1 HG22 THR 1 -8.936 3.505 3.266
8 HG23 THR 1 HG23 THR 1 -8.469 5.171 3.740
9 H GLN 2 H GLN 2 -5.055 3.675 1.003
10 HA GLN 2 HA GLN 2 -3.993 5.196 -1.231
11 HB2 GLN 2 HB2 GLN 2 -2.545 3.794 0.358
12 HB3 GLN 2 HB3 GLN 2 -3.298 2.327 -0.255
13 HG2 GLN 2 HG2 GLN 2 -1.247 2.733 -1.555
14 HG3 GLN 2 HG3 GLN 2 -2.535 3.090 -2.709
15 HE21 GLN 2 HE21 GLN 2 -0.403 4.631 -0.324
16 HE22 GLN 2 HE22 GLN 2 -0.653 6.258 -0.878
17 H SER 3 H SER 3 -4.306 1.660 -1.617
18 HA SER 3 HA SER 3 -6.678 1.796 -3.001
19 HB2 SER 3 HB2 SER 3 -5.200 2.827 -4.918
20 HB3 SER 3 HB3 SER 3 -4.247 1.305 -4.884
21 H HIS 4 H HIS 4 -7.016 -0.440 -4.221
22 HA HIS 4 HA HIS 4 -6.021 -2.575 -2.512
23 HB2 HIS 4 HB2 HIS 4 -8.446 -2.595 -3.427
24 HB3 HIS 4 HB3 HIS 4 -7.767 -2.725 -5.077
25 HD1 HIS 4 HD1 HIS 4 -9.303 -5.061 -4.724
26 HD2 HIS 4 HD2 HIS 4 -5.652 -4.869 -2.664
27 HE1 HIS 4 HE1 HIS 4 -8.709 -7.438 -4.049
28 HE2 HIS 4 HE2 HIS 4 -6.593 -7.238 -2.660
29 H TYR 5 H TYR 5 -4.025 -3.138 -2.913
30 HA TYR 5 HA TYR 5 -2.220 -3.744 -3.990
31 HB2 TYR 5 HB2 TYR 5 -3.347 -3.155 -6.765
32 HB3 TYR 5 HB3 TYR 5 -1.949 -4.192 -6.364
33 HD1 TYR 5 HD1 TYR 5 -2.698 -6.106 -4.418
34 HD2 TYR 5 HD2 TYR 5 -5.238 -4.278 -7.355
35 HE1 TYR 5 HE1 TYR 5 -4.157 -8.073 -4.353
36 HE2 TYR 5 HE2 TYR 5 -6.764 -6.228 -7.234
37 HH TYR 5 HH TYR 5 -5.877 -9.167 -5.562
38 H GLY 6 H GLY 6 -3.226 -0.870 -3.437
39 HA2 GLY 6 HA2 GLY 6 -1.004 0.559 -4.796
40 HA3 GLY 6 HA3 GLY 6 -2.270 1.242 -3.716
41 H GLN 7 H GLN 7 0.472 1.827 -3.282
42 HA GLN 7 HA GLN 7 1.313 0.027 -1.163
43 HB2 GLN 7 HB2 GLN 7 2.965 0.821 -2.771
44 HB3 GLN 7 HB3 GLN 7 2.520 2.509 -2.457
45 HG2 GLN 7 HG2 GLN 7 3.638 2.584 -0.317
46 HG3 GLN 7 HG3 GLN 7 3.288 0.872 -0.034
47 HE21 GLN 7 HE21 GLN 7 5.124 1.879 -2.996
48 HE22 GLN 7 HE22 GLN 7 6.483 0.925 -2.441
49 H CYS 8 H CYS 8 1.113 0.368 1.071
50 HA CYS 8 HA CYS 8 0.581 3.196 1.903
51 HB2 CYS 8 HB2 CYS 8 -0.465 2.341 3.909
52 HB3 CYS 8 HB3 CYS 8 -1.225 1.663 2.452
53 H GLY 9 H GLY 9 3.155 0.974 1.810
54 HA2 GLY 9 HA2 GLY 9 4.627 2.592 3.755
55 HA3 GLY 9 HA3 GLY 9 4.267 0.889 4.221
56 H GLY 10 H GLY 10 6.109 2.970 2.020
57 HA2 GLY 10 HA2 GLY 10 7.634 0.546 1.149
58 HA3 GLY 10 HA3 GLY 10 7.227 1.936 0.097
59 H ILE 11 H ILE 11 9.802 1.033 0.384
60 HA ILE 11 HA ILE 11 11.247 2.669 2.173
61 HB ILE 11 HB ILE 11 11.831 1.156 -0.356
62 HG12 ILE 11 HG12 ILE 11 11.612 0.313 2.203
63 HG13 ILE 11 HG13 ILE 11 12.784 -0.398 1.070
64 HG21 ILE 11 HG21 ILE 11 14.320 1.803 -0.037
65 HG22 ILE 11 HG22 ILE 11 13.749 3.162 0.997
66 HG23 ILE 11 HG23 ILE 11 13.278 3.081 -0.738
67 HD11 ILE 11 HD11 ILE 11 14.650 0.811 2.017
68 HD12 ILE 11 HD12 ILE 11 13.709 0.147 3.393
69 HD13 ILE 11 HD13 ILE 11 13.566 1.895 2.974
70 H GLY 12 H GLY 12 10.096 3.259 -1.102
71 HA2 GLY 12 HA2 GLY 12 10.954 6.099 -0.881
72 HA3 GLY 12 HA3 GLY 12 10.884 5.147 -2.407
73 H TYR 13 H TYR 13 8.496 5.080 0.234
74 HA TYR 13 HA TYR 13 6.569 6.160 -1.744
75 HB2 TYR 13 HB2 TYR 13 6.354 3.664 -0.913
76 HB3 TYR 13 HB3 TYR 13 5.801 4.379 0.650
77 HD1 TYR 13 HD2 TYR 13 5.279 4.243 -3.024
78 HD2 TYR 13 HD1 TYR 13 3.600 5.438 0.755
79 HE1 TYR 13 HE2 TYR 13 3.124 4.766 -4.147
80 HE2 TYR 13 HE1 TYR 13 1.491 5.948 -0.343
81 HH TYR 13 HH TYR 13 0.256 5.514 -2.529
82 H SER 14 H SER 14 5.290 7.846 -1.174
83 HA SER 14 HA SER 14 5.379 8.784 1.638
84 HB2 SER 14 HB2 SER 14 5.558 10.934 -0.488
85 HB3 SER 14 HB3 SER 14 6.402 10.805 1.118
86 H GLY 15 H GLY 15 3.403 7.804 -0.732
87 HA2 GLY 15 HA2 GLY 15 1.446 9.960 -0.702
88 HA3 GLY 15 HA3 GLY 15 1.340 8.327 -1.465
89 HA PRO 16 HA PRO 16 -1.511 8.464 2.182
90 HB2 PRO 16 HB2 PRO 16 -2.715 6.269 0.433
91 HB3 PRO 16 HB3 PRO 16 -3.571 7.531 1.384
92 HG2 PRO 16 HG2 PRO 16 -3.155 7.660 -1.389
93 HG3 PRO 16 HG3 PRO 16 -3.309 9.131 -0.352
94 HD2 PRO 16 HD2 PRO 16 -0.867 7.986 -1.660
95 HD3 PRO 16 HD3 PRO 16 -1.151 9.661 -1.017
96 H THR 17 H THR 17 -1.477 7.276 4.051
97 HA THR 17 HA THR 17 0.137 4.795 3.984
98 HB THR 17 HB THR 17 1.214 6.618 5.106
99 HG1 THR 17 HG1 THR 17 0.136 4.618 6.778
100 HG21 THR 17 HG21 THR 17 -0.163 8.231 5.966
101 HG22 THR 17 HG22 THR 17 -0.259 7.203 7.430
102 HG23 THR 17 HG23 THR 17 -1.559 7.115 6.203
103 H VAL 18 H VAL 18 -2.870 4.999 3.612
104 HA VAL 18 HA VAL 18 -3.647 3.197 5.845
105 HB VAL 18 HB VAL 18 -5.392 5.459 4.731
106 HG11 VAL 18 HG11 VAL 18 -7.188 4.595 5.979
107 HG12 VAL 18 HG12 VAL 18 -6.127 3.988 7.284
108 HG13 VAL 18 HG13 VAL 18 -6.355 3.025 5.808
109 HG21 VAL 18 HG21 VAL 18 -5.215 6.459 7.011
110 HG22 VAL 18 HG22 VAL 18 -3.578 6.312 6.285
111 HG23 VAL 18 HG23 VAL 18 -4.117 5.127 7.521
112 H CYS 19 H CYS 19 -4.639 1.352 5.069
113 HA CYS 19 HA CYS 19 -5.120 1.197 2.221
114 HB2 CYS 19 HB2 CYS 19 -5.411 -0.756 4.540
115 HB3 CYS 19 HB3 CYS 19 -5.712 -1.198 2.847
116 H ALA 20 H ALA 20 -7.019 0.577 1.231
117 HA ALA 20 HA ALA 20 -9.171 2.227 1.640
118 HB1 ALA 20 HB1 ALA 20 -8.388 0.938 -0.528
119 HB2 ALA 20 HB2 ALA 20 -10.160 0.975 -0.241
120 HB3 ALA 20 HB3 ALA 20 -9.204 -0.486 0.179
121 H SER 21 H SER 21 -11.424 1.803 2.079
122 HA SER 21 HA SER 21 -11.724 0.434 4.514
123 HB2 SER 21 HB2 SER 21 -13.241 2.191 2.827
124 HB3 SER 21 HB3 SER 21 -14.315 0.784 3.080
125 HG SER 21 HG SER 21 -14.391 1.263 5.179
126 H GLY 22 H GLY 22 -11.162 -1.050 1.729
127 HA2 GLY 22 HA2 GLY 22 -12.500 -3.557 2.483
128 HA3 GLY 22 HA3 GLY 22 -12.354 -3.008 0.769
129 H THR 23 H THR 23 -9.591 -2.010 2.557
130 HA THR 23 HA THR 23 -8.169 -4.436 1.828
131 HB THR 23 HB THR 23 -6.323 -3.306 0.809
132 HG1 THR 23 HG1 THR 23 -6.022 -1.400 0.766
133 HG21 THR 23 HG21 THR 23 -7.521 -3.941 -1.006
134 HG22 THR 23 HG22 THR 23 -7.664 -2.157 -1.262
135 HG23 THR 23 HG23 THR 23 -9.015 -3.070 -0.524
136 H THR 24 H THR 24 -6.081 -4.657 2.893
137 HA THR 24 HA THR 24 -5.711 -2.863 5.248
138 HB THR 24 HB THR 24 -6.817 -5.292 5.403
139 HG1 THR 24 HG1 THR 24 -6.607 -4.600 7.305
140 HG21 THR 24 HG21 THR 24 -4.805 -6.406 4.324
141 HG22 THR 24 HG22 THR 24 -5.239 -7.052 5.953
142 HG23 THR 24 HG23 THR 24 -3.820 -5.960 5.783
143 H CYS 25 H CYS 25 -3.474 -2.758 6.136
144 HA CYS 25 HA CYS 25 -1.559 -2.684 3.950
145 HB2 CYS 25 HB2 CYS 25 -1.346 -2.006 6.930
146 HB3 CYS 25 HB3 CYS 25 0.116 -2.084 5.904
147 H GLN 26 H GLN 26 -0.336 -4.355 3.248
148 HA GLN 26 HA GLN 26 0.654 -6.219 5.305
149 HB2 GLN 26 HB2 GLN 26 -0.365 -7.195 2.590
150 HB3 GLN 26 HB3 GLN 26 0.147 -8.185 3.983
151 HG2 GLN 26 HG2 GLN 26 -1.878 -7.374 5.286
152 HG3 GLN 26 HG3 GLN 26 -2.385 -6.408 3.852
153 HE21 GLN 26 HE21 GLN 26 -4.091 -8.300 4.903
154 HE22 GLN 26 HE22 GLN 26 -4.322 -9.500 3.659
155 H VAL 27 H VAL 27 2.624 -7.191 4.797
156 HA VAL 27 HA VAL 27 4.226 -5.592 2.976
157 HB VAL 27 HB VAL 27 4.832 -7.705 5.059
158 HG11 VAL 27 HG11 VAL 27 6.539 -8.116 3.396
159 HG12 VAL 27 HG12 VAL 27 7.303 -6.975 4.558
160 HG13 VAL 27 HG13 VAL 27 6.684 -6.360 2.984
161 HG21 VAL 27 HG21 VAL 27 4.318 -4.896 5.206
162 HG22 VAL 27 HG22 VAL 27 6.102 -4.996 5.185
163 HG23 VAL 27 HG23 VAL 27 5.167 -5.888 6.444
164 H LEU 28 H LEU 28 4.527 -6.132 0.897
165 HA LEU 28 HA LEU 28 4.448 -9.007 0.158
166 HB2 LEU 28 HB2 LEU 28 2.944 -7.810 -1.149
167 HB3 LEU 28 HB3 LEU 28 3.971 -6.358 -1.249
168 HG LEU 28 HG LEU 28 5.280 -7.224 -3.020
169 HD11 LEU 28 HD11 LEU 28 4.492 -9.802 -3.775
170 HD12 LEU 28 HD12 LEU 28 4.702 -9.913 -1.986
171 HD13 LEU 28 HD13 LEU 28 6.039 -9.298 -3.018
172 HD21 LEU 28 HD21 LEU 28 3.756 -7.036 -4.633
173 HD22 LEU 28 HD22 LEU 28 2.544 -6.900 -3.301
174 HD23 LEU 28 HD23 LEU 28 2.828 -8.482 -4.100
175 H ASN 29 H ASN 29 6.590 -6.292 0.731
176 HA ASN 29 HA ASN 29 8.905 -7.813 0.225
177 HB2 ASN 29 HB2 ASN 29 9.629 -5.876 -1.707
178 HB3 ASN 29 HB3 ASN 29 9.162 -7.571 -2.038
179 HD21 ASN 29 HD21 ASN 29 6.590 -5.338 -1.049
180 HD22 ASN 29 HD22 ASN 29 5.919 -5.243 -2.627
181 HA PRO 30 HA PRO 30 10.237 -4.567 2.810
182 HB2 PRO 30 HB2 PRO 30 13.033 -4.447 2.323
183 HB3 PRO 30 HB3 PRO 30 12.210 -5.762 3.231
184 HG2 PRO 30 HG2 PRO 30 13.275 -5.818 0.397
185 HG3 PRO 30 HG3 PRO 30 13.111 -7.159 1.588
186 HD2 PRO 30 HD2 PRO 30 11.351 -6.523 -0.585
187 HD3 PRO 30 HD3 PRO 30 11.001 -7.694 0.764
188 H TYR 31 H TYR 31 9.881 -3.931 -0.347
189 HA TYR 31 HA TYR 31 10.606 -1.089 -0.039
190 HB2 TYR 31 HB2 TYR 31 11.048 -2.852 -2.551
191 HB3 TYR 31 HB3 TYR 31 11.197 -1.057 -2.533
192 HD1 TYR 31 HD2 TYR 31 12.636 -4.215 -1.122
193 HD2 TYR 31 HD1 TYR 31 13.170 -0.002 -1.716
194 HE1 TYR 31 HE2 TYR 31 14.949 -4.381 -0.231
195 HE2 TYR 31 HE1 TYR 31 15.473 -0.171 -0.819
196 HH TYR 31 HH TYR 31 17.030 -3.217 -0.251
197 H TYR 32 H TYR 32 8.140 -3.153 -0.019
198 HA TYR 32 HA TYR 32 6.368 -1.357 -1.131
199 HB2 TYR 32 HB2 TYR 32 6.747 -1.696 -3.258
200 HB3 TYR 32 HB3 TYR 32 7.051 -3.405 -3.132
201 HD1 TYR 32 HD2 TYR 32 4.486 -0.901 -2.463
202 HD2 TYR 32 HD1 TYR 32 5.132 -4.844 -3.993
203 HE1 TYR 32 HE2 TYR 32 2.103 -1.014 -3.170
204 HE2 TYR 32 HE1 TYR 32 2.754 -4.951 -4.661
205 HH TYR 32 HH TYR 32 1.130 -3.140 -5.435
206 H SER 33 H SER 33 5.128 -1.214 0.683
207 HA SER 33 HA SER 33 3.847 -3.741 1.598
208 HB2 SER 33 HB2 SER 33 3.730 -1.028 2.942
209 HB3 SER 33 HB3 SER 33 2.752 -2.451 3.424
210 HG SER 33 HG SER 33 5.050 -1.951 4.342
211 H GLN 34 H GLN 34 2.103 -4.286 0.693
212 HA GLN 34 HA GLN 34 0.689 -2.436 -1.034
213 HB2 GLN 34 HB2 GLN 34 1.623 -4.617 -1.800
214 HB3 GLN 34 HB3 GLN 34 0.602 -5.492 -0.625
215 HG2 GLN 34 HG2 GLN 34 -1.456 -4.826 -1.833
216 HG3 GLN 34 HG3 GLN 34 -0.545 -3.634 -2.794
217 HE21 GLN 34 HE21 GLN 34 -0.267 -4.379 -4.846
218 HE22 GLN 34 HE22 GLN 34 -0.110 -6.068 -5.328
219 H CYS 35 H CYS 35 -1.619 -2.389 -1.007
220 HA CYS 35 HA CYS 35 -2.866 -2.906 1.620
221 HB2 CYS 35 HB2 CYS 35 -3.146 -1.044 -0.719
222 HB3 CYS 35 HB3 CYS 35 -4.627 -1.306 0.260
223 H LEU 36 H LEU 36 -4.030 -4.812 1.713
224 HA LEU 36 HA LEU 36 -5.287 -5.794 -0.765
225 HB2 LEU 36 HB2 LEU 36 -4.159 -7.363 1.627
226 HB3 LEU 36 HB3 LEU 36 -4.958 -8.071 0.195
227 HG LEU 36 HG LEU 36 -2.661 -8.414 -0.134
228 HD11 LEU 36 HD11 LEU 36 -3.303 -5.862 -1.762
229 HD12 LEU 36 HD12 LEU 36 -4.073 -7.451 -2.069
230 HD13 LEU 36 HD13 LEU 36 -2.290 -7.262 -2.265
231 HD21 LEU 36 HD21 LEU 36 -0.870 -6.968 0.330
232 HD22 LEU 36 HD22 LEU 36 -2.074 -6.468 1.579
233 HD23 LEU 36 HD23 LEU 36 -1.862 -5.486 0.124
234 H1 MAN 101 H1 MAN 37 -9.066 3.162 -0.057
235 H2 MAN 101 H2 MAN 37 -7.193 4.301 -0.955
236 H3 MAN 101 H3 MAN 37 -8.006 6.644 -0.598
237 H4 MAN 101 H4 MAN 37 -9.825 6.051 -2.957
238 H5 MAN 101 H5 MAN 37 -10.528 6.484 0.008
239 H61 MAN 101 H61 MAN 37 -12.160 5.606 -2.436
240 H62 MAN 101 H62 MAN 37 -12.284 7.169 -1.554
241 HO2 MAN 101 HO2 MAN 37 -9.377 3.706 -2.553
242 HO3 MAN 101 HO3 MAN 37 -6.870 5.735 -2.940
243 HO4 MAN 101 HO4 MAN 37 -9.064 8.196 -2.663
244 HO6 MAN 101 HO6 MAN 37 -12.739 5.614 0.369
245 H1 MAN 102 H1 MAN 38 -6.711 2.781 -6.665
246 H2 MAN 102 H2 MAN 38 -7.511 3.035 -4.375
247 H3 MAN 102 H3 MAN 38 -8.147 0.750 -3.833
248 H4 MAN 102 H4 MAN 38 -10.370 0.943 -5.846
249 H5 MAN 102 H5 MAN 38 -7.751 -0.647 -6.105
250 H61 MAN 102 H61 MAN 38 -10.037 -0.055 -8.055
251 H62 MAN 102 H62 MAN 38 -9.883 -1.582 -7.108
252 HO2 MAN 102 HO2 MAN 38 -8.664 4.282 -5.738
253 HO3 MAN 102 HO3 MAN 38 -10.470 2.302 -3.797
254 HO4 MAN 102 HO4 MAN 38 -10.776 -0.527 -4.196
255 HO6 MAN 102 HO6 MAN 38 -8.870 -1.301 -9.421
256 H1 MAN 103 H1 MAN 39 8.624 11.184 0.307
257 H2 MAN 103 H2 MAN 39 6.904 12.487 -0.947
258 H3 MAN 103 H3 MAN 39 6.446 10.664 -2.588
259 H4 MAN 103 H4 MAN 39 9.080 11.579 -3.831
260 H5 MAN 103 H5 MAN 39 8.326 8.899 -2.530
261 H61 MAN 103 H61 MAN 39 10.991 10.016 -3.584
262 H62 MAN 103 H62 MAN 39 10.026 8.678 -4.302
263 HO2 MAN 103 HO2 MAN 39 9.557 12.592 -1.959
264 HO3 MAN 103 HO3 MAN 39 6.107 12.053 -4.336
265 HO4 MAN 103 HO4 MAN 39 7.533 9.331 -4.661
266 HO6 MAN 103 HO6 MAN 39 10.372 8.032 -1.778
Start of MODEL 3
1 H1 THR 1 H1 THR 1 -7.193 6.672 3.237
2 H2 THR 1 H2 THR 1 -8.390 6.124 2.155
3 H3 THR 1 H3 THR 1 -6.988 6.873 1.541
4 HA THR 1 HA THR 1 -6.076 4.734 2.971
5 HB THR 1 HB THR 1 -7.569 2.901 1.520
6 HG21 THR 1 HG21 THR 1 -8.369 4.230 4.203
7 HG22 THR 1 HG22 THR 1 -7.354 2.789 3.928
8 HG23 THR 1 HG23 THR 1 -9.095 2.714 3.558
9 H GLN 2 H GLN 2 -5.365 2.837 1.164
10 HA GLN 2 HA GLN 2 -4.963 4.177 -1.426
11 HB2 GLN 2 HB2 GLN 2 -3.053 2.806 0.248
12 HB3 GLN 2 HB3 GLN 2 -3.400 1.646 -1.048
13 HG2 GLN 2 HG2 GLN 2 -1.598 3.086 -1.886
14 HG3 GLN 2 HG3 GLN 2 -3.058 3.542 -2.787
15 HE21 GLN 2 HE21 GLN 2 -1.190 4.330 0.175
16 HE22 GLN 2 HE22 GLN 2 -1.675 6.006 0.251
17 H SER 3 H SER 3 -5.108 2.733 -3.314
18 HA SER 3 HA SER 3 -7.536 1.269 -3.180
19 HB2 SER 3 HB2 SER 3 -5.849 0.927 -5.654
20 HB3 SER 3 HB3 SER 3 -7.555 1.532 -5.498
21 H HIS 4 H HIS 4 -7.672 -0.951 -4.416
22 HA HIS 4 HA HIS 4 -6.089 -2.872 -3.070
23 HB2 HIS 4 HB2 HIS 4 -8.384 -3.146 -4.361
24 HB3 HIS 4 HB3 HIS 4 -7.378 -3.391 -5.824
25 HD1 HIS 4 HD1 HIS 4 -9.218 -5.592 -4.748
26 HD2 HIS 4 HD2 HIS 4 -5.241 -5.296 -3.443
27 HE1 HIS 4 HE1 HIS 4 -8.533 -7.878 -3.938
28 HE2 HIS 4 HE2 HIS 4 -6.236 -7.559 -2.965
29 H TYR 5 H TYR 5 -4.126 -3.643 -3.416
30 HA TYR 5 HA TYR 5 -2.229 -4.091 -4.161
31 HB2 TYR 5 HB2 TYR 5 -3.019 -3.535 -7.053
32 HB3 TYR 5 HB3 TYR 5 -1.635 -4.519 -6.474
33 HD1 TYR 5 HD1 TYR 5 -2.083 -6.776 -5.345
34 HD2 TYR 5 HD2 TYR 5 -5.198 -4.397 -7.100
35 HE1 TYR 5 HE1 TYR 5 -3.570 -8.753 -5.389
36 HE2 TYR 5 HE2 TYR 5 -6.710 -6.358 -7.084
37 HH TYR 5 HH TYR 5 -5.596 -9.574 -6.372
38 H GLY 6 H GLY 6 -3.313 -1.234 -3.697
39 HA2 GLY 6 HA2 GLY 6 -1.247 0.384 -4.964
40 HA3 GLY 6 HA3 GLY 6 -2.512 0.882 -3.774
41 H GLN 7 H GLN 7 -0.222 2.024 -3.199
42 HA GLN 7 HA GLN 7 1.252 0.225 -1.416
43 HB2 GLN 7 HB2 GLN 7 2.355 1.670 -3.161
44 HB3 GLN 7 HB3 GLN 7 1.821 3.111 -2.277
45 HG2 GLN 7 HG2 GLN 7 3.227 2.589 -0.347
46 HG3 GLN 7 HG3 GLN 7 3.301 0.863 -0.822
47 HE21 GLN 7 HE21 GLN 7 5.540 1.133 -0.452
48 HE22 GLN 7 HE22 GLN 7 6.551 1.529 -1.854
49 H CYS 8 H CYS 8 0.611 0.116 0.756
50 HA CYS 8 HA CYS 8 -0.479 2.602 1.996
51 HB2 CYS 8 HB2 CYS 8 -0.804 1.021 4.012
52 HB3 CYS 8 HB3 CYS 8 -1.774 0.751 2.566
53 H GLY 9 H GLY 9 2.498 1.042 1.524
54 HA2 GLY 9 HA2 GLY 9 3.799 2.801 3.403
55 HA3 GLY 9 HA3 GLY 9 3.790 1.049 3.877
56 H GLY 10 H GLY 10 6.176 2.697 3.120
57 HA2 GLY 10 HA2 GLY 10 7.291 0.778 1.335
58 HA3 GLY 10 HA3 GLY 10 6.979 2.400 0.557
59 H ILE 11 H ILE 11 9.565 1.542 0.727
60 HA ILE 11 HA ILE 11 10.783 2.781 3.000
61 HB ILE 11 HB ILE 11 11.641 1.678 0.358
62 HG12 ILE 11 HG12 ILE 11 11.333 0.553 2.788
63 HG13 ILE 11 HG13 ILE 11 12.622 0.044 1.671
64 HG21 ILE 11 HG21 ILE 11 12.973 3.716 0.272
65 HG22 ILE 11 HG22 ILE 11 14.054 2.417 0.868
66 HG23 ILE 11 HG23 ILE 11 13.381 3.610 2.024
67 HD11 ILE 11 HD11 ILE 11 13.355 0.365 4.091
68 HD12 ILE 11 HD12 ILE 11 13.146 2.142 3.857
69 HD13 ILE 11 HD13 ILE 11 14.342 1.220 2.861
70 H GLY 12 H GLY 12 9.601 4.005 -0.044
71 HA2 GLY 12 HA2 GLY 12 10.353 6.757 0.795
72 HA3 GLY 12 HA3 GLY 12 10.598 6.138 -0.884
73 H TYR 13 H TYR 13 7.840 5.147 1.030
74 HA TYR 13 HA TYR 13 6.178 6.491 -0.971
75 HB2 TYR 13 HB2 TYR 13 5.843 4.052 -0.564
76 HB3 TYR 13 HB3 TYR 13 5.316 4.420 1.126
77 HD1 TYR 13 HD2 TYR 13 4.707 5.321 -2.474
78 HD2 TYR 13 HD1 TYR 13 3.017 4.951 1.473
79 HE1 TYR 13 HE2 TYR 13 2.460 5.816 -3.389
80 HE2 TYR 13 HE1 TYR 13 0.789 5.388 0.550
81 HH TYR 13 HH TYR 13 -0.408 5.442 -1.532
82 H SER 14 H SER 14 4.844 8.084 -0.549
83 HA SER 14 HA SER 14 4.778 9.262 2.148
84 HB2 SER 14 HB2 SER 14 5.135 11.467 1.260
85 HB3 SER 14 HB3 SER 14 6.389 10.437 0.471
86 H GLY 15 H GLY 15 2.730 7.579 0.707
87 HA2 GLY 15 HA2 GLY 15 0.555 9.582 0.413
88 HA3 GLY 15 HA3 GLY 15 0.641 7.966 -0.364
89 HA PRO 16 HA PRO 16 -2.009 7.942 3.492
90 HB2 PRO 16 HB2 PRO 16 -3.407 6.024 1.554
91 HB3 PRO 16 HB3 PRO 16 -4.176 7.133 2.752
92 HG2 PRO 16 HG2 PRO 16 -3.937 7.682 0.004
93 HG3 PRO 16 HG3 PRO 16 -3.956 8.996 1.249
94 HD2 PRO 16 HD2 PRO 16 -1.684 7.981 -0.410
95 HD3 PRO 16 HD3 PRO 16 -1.827 9.531 0.531
96 H THR 17 H THR 17 -1.745 6.609 5.220
97 HA THR 17 HA THR 17 -0.191 4.190 4.781
98 HB THR 17 HB THR 17 0.761 5.737 6.312
99 HG1 THR 17 HG1 THR 17 -0.431 3.503 7.548
100 HG21 THR 17 HG21 THR 17 -2.089 5.802 7.499
101 HG22 THR 17 HG22 THR 17 -1.002 7.171 7.017
102 HG23 THR 17 HG23 THR 17 -0.662 6.227 8.500
103 H VAL 18 H VAL 18 -3.155 4.255 4.245
104 HA VAL 18 HA VAL 18 -3.948 2.062 6.088
105 HB VAL 18 HB VAL 18 -5.852 4.295 5.212
106 HG11 VAL 18 HG11 VAL 18 -6.698 1.789 5.785
107 HG12 VAL 18 HG12 VAL 18 -7.513 3.186 6.536
108 HG13 VAL 18 HG13 VAL 18 -6.302 2.237 7.462
109 HG21 VAL 18 HG21 VAL 18 -5.698 4.353 8.026
110 HG22 VAL 18 HG22 VAL 18 -4.919 5.538 6.920
111 HG23 VAL 18 HG23 VAL 18 -3.992 4.131 7.567
112 H CYS 19 H CYS 19 -4.738 0.309 4.948
113 HA CYS 19 HA CYS 19 -5.161 0.626 2.077
114 HB2 CYS 19 HB2 CYS 19 -5.192 -1.716 4.041
115 HB3 CYS 19 HB3 CYS 19 -5.639 -1.942 2.340
116 H ALA 20 H ALA 20 -7.058 0.342 0.985
117 HA ALA 20 HA ALA 20 -9.343 1.484 1.864
118 HB1 ALA 20 HB1 ALA 20 -10.418 0.503 -0.119
119 HB2 ALA 20 HB2 ALA 20 -9.387 -0.961 -0.024
120 HB3 ALA 20 HB3 ALA 20 -8.685 0.585 -0.571
121 H SER 21 H SER 21 -11.458 0.864 2.649
122 HA SER 21 HA SER 21 -11.224 -1.140 4.592
123 HB2 SER 21 HB2 SER 21 -13.255 0.760 3.681
124 HB3 SER 21 HB3 SER 21 -14.056 -0.782 4.113
125 HG SER 21 HG SER 21 -12.879 -0.680 6.107
126 H GLY 22 H GLY 22 -11.587 -1.662 1.337
127 HA2 GLY 22 HA2 GLY 22 -12.599 -4.425 1.685
128 HA3 GLY 22 HA3 GLY 22 -12.413 -3.513 0.146
129 H THR 23 H THR 23 -9.675 -2.904 1.987
130 HA THR 23 HA THR 23 -8.214 -5.130 0.819
131 HB THR 23 HB THR 23 -6.402 -3.724 -0.060
132 HG1 THR 23 HG1 THR 23 -7.804 -1.821 1.280
133 HG21 THR 23 HG21 THR 23 -7.974 -3.991 -1.841
134 HG22 THR 23 HG22 THR 23 -7.654 -2.220 -1.760
135 HG23 THR 23 HG23 THR 23 -9.180 -2.881 -1.101
136 H THR 24 H THR 24 -6.058 -5.393 1.834
137 HA THR 24 HA THR 24 -5.842 -4.162 4.556
138 HB THR 24 HB THR 24 -4.763 -6.413 5.237
139 HG1 THR 24 HG1 THR 24 -5.987 -7.067 2.719
140 HG21 THR 24 HG21 THR 24 -7.052 -7.444 5.532
141 HG22 THR 24 HG22 THR 24 -7.747 -6.146 4.492
142 HG23 THR 24 HG23 THR 24 -6.949 -5.720 6.045
143 H CYS 25 H CYS 25 -3.738 -3.717 5.469
144 HA CYS 25 HA CYS 25 -1.760 -3.356 3.345
145 HB2 CYS 25 HB2 CYS 25 -2.262 -1.497 5.047
146 HB3 CYS 25 HB3 CYS 25 -1.508 -2.531 6.288
147 H GLN 26 H GLN 26 -0.129 -4.643 2.918
148 HA GLN 26 HA GLN 26 0.982 -6.282 5.084
149 HB2 GLN 26 HB2 GLN 26 0.279 -7.492 2.349
150 HB3 GLN 26 HB3 GLN 26 0.839 -8.357 3.816
151 HG2 GLN 26 HG2 GLN 26 -1.355 -7.885 4.951
152 HG3 GLN 26 HG3 GLN 26 -1.907 -6.947 3.519
153 HE21 GLN 26 HE21 GLN 26 -3.640 -8.256 2.920
154 HE22 GLN 26 HE22 GLN 26 -3.389 -9.856 2.280
155 H VAL 27 H VAL 27 2.937 -7.554 3.999
156 HA VAL 27 HA VAL 27 4.496 -5.479 2.576
157 HB VAL 27 HB VAL 27 5.177 -7.552 4.659
158 HG11 VAL 27 HG11 VAL 27 7.113 -6.109 2.723
159 HG12 VAL 27 HG12 VAL 27 6.929 -7.894 2.954
160 HG13 VAL 27 HG13 VAL 27 7.624 -6.883 4.263
161 HG21 VAL 27 HG21 VAL 27 4.451 -4.928 4.966
162 HG22 VAL 27 HG22 VAL 27 6.183 -4.661 4.556
163 HG23 VAL 27 HG23 VAL 27 5.737 -5.675 5.974
164 H LEU 28 H LEU 28 4.938 -5.878 0.496
165 HA LEU 28 HA LEU 28 5.040 -8.698 -0.405
166 HB2 LEU 28 HB2 LEU 28 3.591 -7.478 -1.751
167 HB3 LEU 28 HB3 LEU 28 4.550 -5.978 -1.671
168 HG LEU 28 HG LEU 28 6.086 -6.710 -3.349
169 HD11 LEU 28 HD11 LEU 28 5.265 -9.257 -4.330
170 HD12 LEU 28 HD12 LEU 28 5.481 -9.439 -2.553
171 HD13 LEU 28 HD13 LEU 28 6.810 -8.772 -3.561
172 HD21 LEU 28 HD21 LEU 28 4.618 -6.123 -4.908
173 HD22 LEU 28 HD22 LEU 28 3.231 -6.626 -3.861
174 HD23 LEU 28 HD23 LEU 28 3.989 -7.791 -4.994
175 H ASN 29 H ASN 29 7.040 -6.010 0.547
176 HA ASN 29 HA ASN 29 9.452 -7.363 0.035
177 HB2 ASN 29 HB2 ASN 29 10.196 -5.225 -1.651
178 HB3 ASN 29 HB3 ASN 29 9.798 -6.883 -2.185
179 HD21 ASN 29 HD21 ASN 29 7.106 -4.839 -1.098
180 HD22 ASN 29 HD22 ASN 29 6.516 -4.597 -2.708
181 HA PRO 30 HA PRO 30 10.420 -4.368 3.013
182 HB2 PRO 30 HB2 PRO 30 13.222 -3.951 2.676
183 HB3 PRO 30 HB3 PRO 30 12.475 -5.397 3.436
184 HG2 PRO 30 HG2 PRO 30 13.689 -5.144 0.682
185 HG3 PRO 30 HG3 PRO 30 13.531 -6.591 1.739
186 HD2 PRO 30 HD2 PRO 30 11.875 -5.879 -0.486
187 HD3 PRO 30 HD3 PRO 30 11.516 -7.177 0.738
188 H TYR 31 H TYR 31 10.324 -3.404 -0.148
189 HA TYR 31 HA TYR 31 10.756 -0.565 0.555
190 HB2 TYR 31 HB2 TYR 31 11.549 -2.043 -2.042
191 HB3 TYR 31 HB3 TYR 31 11.470 -0.248 -1.916
192 HD1 TYR 31 HD2 TYR 31 13.081 -3.263 -0.321
193 HD2 TYR 31 HD1 TYR 31 13.357 0.940 -1.127
194 HE1 TYR 31 HE2 TYR 31 15.266 -3.184 0.846
195 HE2 TYR 31 HE1 TYR 31 15.579 0.994 -0.038
196 HH TYR 31 HH TYR 31 17.280 -0.294 0.834
197 H TYR 32 H TYR 32 8.403 -2.757 0.012
198 HA TYR 32 HA TYR 32 6.583 -0.772 -0.841
199 HB2 TYR 32 HB2 TYR 32 7.135 -0.965 -3.053
200 HB3 TYR 32 HB3 TYR 32 7.478 -2.674 -3.010
201 HD1 TYR 32 HD2 TYR 32 4.863 -0.187 -2.759
202 HD2 TYR 32 HD1 TYR 32 5.629 -4.226 -3.894
203 HE1 TYR 32 HE2 TYR 32 2.495 -0.424 -3.423
204 HE2 TYR 32 HE1 TYR 32 3.264 -4.448 -4.578
205 HH TYR 32 HH TYR 32 0.936 -1.818 -4.194
206 H SER 33 H SER 33 4.932 -0.873 0.540
207 HA SER 33 HA SER 33 4.069 -3.544 1.433
208 HB2 SER 33 HB2 SER 33 3.263 -0.887 2.702
209 HB3 SER 33 HB3 SER 33 3.131 -2.525 3.392
210 HG SER 33 HG SER 33 5.546 -2.496 3.193
211 H GLN 34 H GLN 34 2.213 -4.245 0.641
212 HA GLN 34 HA GLN 34 0.854 -2.472 -1.244
213 HB2 GLN 34 HB2 GLN 34 1.981 -4.416 -2.187
214 HB3 GLN 34 HB3 GLN 34 1.115 -5.522 -1.078
215 HG2 GLN 34 HG2 GLN 34 -1.040 -5.061 -2.163
216 HG3 GLN 34 HG3 GLN 34 -0.354 -3.711 -3.101
217 HE21 GLN 34 HE21 GLN 34 0.610 -4.219 -5.105
218 HE22 GLN 34 HE22 GLN 34 0.630 -5.856 -5.738
219 H CYS 35 H CYS 35 -1.386 -2.412 -1.364
220 HA CYS 35 HA CYS 35 -2.892 -3.349 0.969
221 HB2 CYS 35 HB2 CYS 35 -3.484 -1.546 -1.434
222 HB3 CYS 35 HB3 CYS 35 -4.792 -2.004 -0.288
223 H LEU 36 H LEU 36 -4.100 -5.182 0.962
224 HA LEU 36 HA LEU 36 -4.773 -6.320 -1.688
225 HB2 LEU 36 HB2 LEU 36 -4.272 -7.692 0.991
226 HB3 LEU 36 HB3 LEU 36 -4.712 -8.513 -0.537
227 HG LEU 36 HG LEU 36 -2.403 -8.869 -0.204
228 HD11 LEU 36 HD11 LEU 36 -2.514 -6.547 -2.234
229 HD12 LEU 36 HD12 LEU 36 -3.252 -8.148 -2.551
230 HD13 LEU 36 HD13 LEU 36 -1.472 -8.014 -2.275
231 HD21 LEU 36 HD21 LEU 36 -1.580 -5.943 -0.174
232 HD22 LEU 36 HD22 LEU 36 -0.751 -7.378 0.498
233 HD23 LEU 36 HD23 LEU 36 -2.188 -6.677 1.334
234 H1 MAN 101 H1 MAN 37 -9.538 2.643 0.339
235 H2 MAN 101 H2 MAN 37 -7.641 3.763 -0.680
236 H3 MAN 101 H3 MAN 37 -8.267 6.021 -0.115
237 H4 MAN 101 H4 MAN 37 -10.440 5.761 -2.213
238 H5 MAN 101 H5 MAN 37 -10.701 6.011 0.844
239 H61 MAN 101 H61 MAN 37 -12.728 5.428 -1.378
240 H62 MAN 101 H62 MAN 37 -12.601 6.943 -0.411
241 HO2 MAN 101 HO2 MAN 37 -8.284 3.537 -2.746
242 HO3 MAN 101 HO3 MAN 37 -8.146 6.411 -2.803
243 HO4 MAN 101 HO4 MAN 37 -10.560 7.898 -1.902
244 HO6 MAN 101 HO6 MAN 37 -12.971 5.416 1.492
245 H1 MAN 102 H1 MAN 38 -6.760 3.276 -7.168
246 H2 MAN 102 H2 MAN 38 -4.978 1.536 -7.375
247 H3 MAN 102 H3 MAN 38 -3.690 2.292 -5.387
248 H4 MAN 102 H4 MAN 38 -2.751 4.545 -7.225
249 H5 MAN 102 H5 MAN 38 -4.464 4.687 -4.681
250 H61 MAN 102 H61 MAN 38 -3.719 6.805 -6.772
251 H62 MAN 102 H62 MAN 38 -3.093 6.689 -5.087
252 HO2 MAN 102 HO2 MAN 38 -4.611 4.041 -8.612
253 HO3 MAN 102 HO3 MAN 38 -2.421 1.944 -7.886
254 HO4 MAN 102 HO4 MAN 38 -1.210 4.695 -5.791
255 HO6 MAN 102 HO6 MAN 38 -5.853 6.988 -5.811
256 H1 MAN 103 H1 MAN 39 3.978 9.324 -1.566
257 H2 MAN 103 H2 MAN 39 6.536 9.071 -1.331
258 H3 MAN 103 H3 MAN 39 7.000 11.423 -1.834
259 H4 MAN 103 H4 MAN 39 6.186 10.598 -4.663
260 H5 MAN 103 H5 MAN 39 5.002 12.633 -2.680
261 H61 MAN 103 H61 MAN 39 4.081 11.658 -5.445
262 H62 MAN 103 H62 MAN 39 4.717 13.299 -5.056
263 HO2 MAN 103 HO2 MAN 39 5.204 7.878 -2.998
264 HO3 MAN 103 HO3 MAN 39 8.781 10.164 -2.112
265 HO4 MAN 103 HO4 MAN 39 7.878 12.029 -4.732
266 HO6 MAN 103 HO6 MAN 39 2.481 12.167 -3.695
Start of MODEL 4
1 H1 THR 1 H1 THR 1 -8.666 6.258 2.209
2 H2 THR 1 H2 THR 1 -7.189 7.113 2.050
3 H3 THR 1 H3 THR 1 -7.748 6.587 3.597
4 HA THR 1 HA THR 1 -6.380 4.852 3.154
5 HB THR 1 HB THR 1 -7.765 3.069 1.579
6 HG21 THR 1 HG21 THR 1 -8.893 4.291 4.207
7 HG22 THR 1 HG22 THR 1 -7.665 2.997 4.052
8 HG23 THR 1 HG23 THR 1 -9.332 2.695 3.508
9 H GLN 2 H GLN 2 -5.583 3.107 1.269
10 HA GLN 2 HA GLN 2 -4.977 4.594 -1.190
11 HB2 GLN 2 HB2 GLN 2 -3.172 3.215 0.538
12 HB3 GLN 2 HB3 GLN 2 -3.530 1.953 -0.641
13 HG2 GLN 2 HG2 GLN 2 -1.696 3.184 -1.670
14 HG3 GLN 2 HG3 GLN 2 -3.134 3.798 -2.531
15 HE21 GLN 2 HE21 GLN 2 -1.000 4.352 0.233
16 HE22 GLN 2 HE22 GLN 2 -1.352 6.034 0.464
17 H SER 3 H SER 3 -5.076 3.302 -3.164
18 HA SER 3 HA SER 3 -7.427 1.814 -3.277
19 HB2 SER 3 HB2 SER 3 -5.635 1.515 -5.657
20 HB3 SER 3 HB3 SER 3 -7.267 2.301 -5.528
21 H HIS 4 H HIS 4 -7.547 -0.307 -4.585
22 HA HIS 4 HA HIS 4 -6.161 -2.383 -3.243
23 HB2 HIS 4 HB2 HIS 4 -8.399 -2.478 -4.652
24 HB3 HIS 4 HB3 HIS 4 -7.336 -2.635 -6.090
25 HD1 HIS 4 HD1 HIS 4 -9.139 -4.913 -5.651
26 HD2 HIS 4 HD2 HIS 4 -5.701 -4.690 -3.291
27 HE1 HIS 4 HE1 HIS 4 -8.670 -7.250 -4.778
28 HE2 HIS 4 HE2 HIS 4 -6.889 -6.772 -3.039
29 H TYR 5 H TYR 5 -4.225 -3.297 -3.535
30 HA TYR 5 HA TYR 5 -2.309 -3.787 -4.272
31 HB2 TYR 5 HB2 TYR 5 -3.002 -2.955 -7.129
32 HB3 TYR 5 HB3 TYR 5 -1.655 -4.018 -6.618
33 HD1 TYR 5 HD1 TYR 5 -2.204 -6.318 -5.563
34 HD2 TYR 5 HD2 TYR 5 -5.157 -3.793 -7.393
35 HE1 TYR 5 HE1 TYR 5 -3.745 -8.248 -5.747
36 HE2 TYR 5 HE2 TYR 5 -6.700 -5.717 -7.568
37 HH TYR 5 HH TYR 5 -6.790 -8.029 -7.509
38 H GLY 6 H GLY 6 -3.310 -0.882 -3.665
39 HA2 GLY 6 HA2 GLY 6 -1.036 0.655 -4.657
40 HA3 GLY 6 HA3 GLY 6 -2.384 1.191 -3.573
41 H GLN 7 H GLN 7 0.002 2.097 -2.719
42 HA GLN 7 HA GLN 7 1.066 -0.011 -0.959
43 HB2 GLN 7 HB2 GLN 7 2.510 1.517 -2.537
44 HB3 GLN 7 HB3 GLN 7 2.213 2.771 -1.307
45 HG2 GLN 7 HG2 GLN 7 3.025 1.057 0.476
46 HG3 GLN 7 HG3 GLN 7 3.536 -0.027 -0.833
47 HE21 GLN 7 HE21 GLN 7 5.149 1.326 -2.491
48 HE22 GLN 7 HE22 GLN 7 6.229 2.400 -1.646
49 H CYS 8 H CYS 8 1.016 0.108 1.266
50 HA CYS 8 HA CYS 8 0.012 2.649 2.476
51 HB2 CYS 8 HB2 CYS 8 -1.705 1.446 3.281
52 HB3 CYS 8 HB3 CYS 8 -1.016 -0.033 2.573
53 H GLY 9 H GLY 9 2.696 0.462 2.310
54 HA2 GLY 9 HA2 GLY 9 4.082 1.964 4.393
55 HA3 GLY 9 HA3 GLY 9 3.649 0.262 4.798
56 H GLY 10 H GLY 10 5.419 2.263 2.403
57 HA2 GLY 10 HA2 GLY 10 7.332 0.013 2.045
58 HA3 GLY 10 HA3 GLY 10 6.798 1.161 0.768
59 H ILE 11 H ILE 11 9.430 0.809 1.261
60 HA ILE 11 HA ILE 11 10.426 2.798 3.064
61 HB ILE 11 HB ILE 11 11.481 0.923 0.987
62 HG12 ILE 11 HG12 ILE 11 11.035 0.620 3.649
63 HG13 ILE 11 HG13 ILE 11 12.327 -0.245 2.776
64 HG21 ILE 11 HG21 ILE 11 13.089 3.327 2.066
65 HG22 ILE 11 HG22 ILE 11 12.788 2.868 0.350
66 HG23 ILE 11 HG23 ILE 11 13.849 1.853 1.374
67 HD11 ILE 11 HD11 ILE 11 12.824 2.447 4.215
68 HD12 ILE 11 HD12 ILE 11 14.050 1.285 3.577
69 HD13 ILE 11 HD13 ILE 11 13.046 0.838 4.997
70 H GLY 12 H GLY 12 9.461 2.842 -0.305
71 HA2 GLY 12 HA2 GLY 12 10.242 5.718 -0.467
72 HA3 GLY 12 HA3 GLY 12 10.431 4.538 -1.817
73 H TYR 13 H TYR 13 8.051 6.177 0.318
74 HA TYR 13 HA TYR 13 6.327 6.433 -1.992
75 HB2 TYR 13 HB2 TYR 13 5.901 4.159 -1.089
76 HB3 TYR 13 HB3 TYR 13 5.515 4.840 0.526
77 HD1 TYR 13 HD1 TYR 13 4.500 4.788 -3.083
78 HD2 TYR 13 HD2 TYR 13 3.283 5.489 0.979
79 HE1 TYR 13 HE1 TYR 13 2.147 5.103 -3.837
80 HE2 TYR 13 HE2 TYR 13 0.969 5.784 0.247
81 HH TYR 13 HH TYR 13 -0.479 5.671 -1.639
82 H SER 14 H SER 14 4.618 7.905 -1.679
83 HA SER 14 HA SER 14 4.624 9.369 0.883
84 HB2 SER 14 HB2 SER 14 4.845 10.754 -1.852
85 HB3 SER 14 HB3 SER 14 4.910 11.528 -0.191
86 H GLY 15 H GLY 15 2.535 8.060 0.918
87 HA2 GLY 15 HA2 GLY 15 0.435 9.824 0.019
88 HA3 GLY 15 HA3 GLY 15 0.433 8.148 -0.681
89 HA PRO 16 HA PRO 16 -1.906 8.175 3.365
90 HB2 PRO 16 HB2 PRO 16 -3.371 6.243 1.463
91 HB3 PRO 16 HB3 PRO 16 -4.105 7.264 2.760
92 HG2 PRO 16 HG2 PRO 16 -4.134 7.973 0.071
93 HG3 PRO 16 HG3 PRO 16 -3.974 9.234 1.363
94 HD2 PRO 16 HD2 PRO 16 -1.896 8.166 -0.541
95 HD3 PRO 16 HD3 PRO 16 -1.958 9.753 0.339
96 H THR 17 H THR 17 -2.090 6.493 5.013
97 HA THR 17 HA THR 17 -0.344 4.158 4.460
98 HB THR 17 HB THR 17 0.887 5.527 5.842
99 HG1 THR 17 HG1 THR 17 1.136 4.152 7.378
100 HG21 THR 17 HG21 THR 17 -1.774 6.098 7.321
101 HG22 THR 17 HG22 THR 17 -0.756 7.282 6.382
102 HG23 THR 17 HG23 THR 17 -0.167 6.612 7.930
103 H VAL 18 H VAL 18 -3.394 4.549 4.268
104 HA VAL 18 HA VAL 18 -4.114 2.301 6.115
105 HB VAL 18 HB VAL 18 -5.949 4.574 5.223
106 HG11 VAL 18 HG11 VAL 18 -6.741 1.999 5.985
107 HG12 VAL 18 HG12 VAL 18 -7.660 3.472 6.422
108 HG13 VAL 18 HG13 VAL 18 -6.513 2.744 7.592
109 HG21 VAL 18 HG21 VAL 18 -5.794 5.275 7.663
110 HG22 VAL 18 HG22 VAL 18 -4.216 5.442 6.814
111 HG23 VAL 18 HG23 VAL 18 -4.505 4.041 7.897
112 H CYS 19 H CYS 19 -4.691 0.478 4.975
113 HA CYS 19 HA CYS 19 -5.226 0.682 2.157
114 HB2 CYS 19 HB2 CYS 19 -5.367 -1.573 4.197
115 HB3 CYS 19 HB3 CYS 19 -5.764 -1.846 2.485
116 H ALA 20 H ALA 20 -7.059 0.379 0.978
117 HA ALA 20 HA ALA 20 -9.352 1.610 1.727
118 HB1 ALA 20 HB1 ALA 20 -10.358 0.665 -0.315
119 HB2 ALA 20 HB2 ALA 20 -9.302 -0.774 -0.219
120 HB3 ALA 20 HB3 ALA 20 -8.608 0.800 -0.682
121 H SER 21 H SER 21 -11.533 1.065 2.296
122 HA SER 21 HA SER 21 -11.630 -0.899 4.268
123 HB2 SER 21 HB2 SER 21 -13.945 0.379 2.698
124 HB3 SER 21 HB3 SER 21 -14.047 -0.347 4.349
125 HG SER 21 HG SER 21 -12.748 1.298 5.107
126 H GLY 22 H GLY 22 -11.527 -1.426 1.015
127 HA2 GLY 22 HA2 GLY 22 -12.816 -4.092 1.169
128 HA3 GLY 22 HA3 GLY 22 -12.479 -3.152 -0.329
129 H THR 23 H THR 23 -9.842 -2.759 1.750
130 HA THR 23 HA THR 23 -8.431 -5.022 0.557
131 HB THR 23 HB THR 23 -6.505 -3.634 -0.096
132 HG1 THR 23 HG1 THR 23 -7.701 -1.916 1.456
133 HG21 THR 23 HG21 THR 23 -7.584 -1.979 -1.799
134 HG22 THR 23 HG22 THR 23 -9.156 -2.705 -1.333
135 HG23 THR 23 HG23 THR 23 -7.864 -3.748 -2.023
136 H THR 24 H THR 24 -6.415 -5.547 1.740
137 HA THR 24 HA THR 24 -6.148 -4.191 4.387
138 HB THR 24 HB THR 24 -5.195 -6.558 5.094
139 HG1 THR 24 HG1 THR 24 -6.418 -8.151 3.851
140 HG21 THR 24 HG21 THR 24 -8.191 -5.996 4.516
141 HG22 THR 24 HG22 THR 24 -7.267 -5.439 5.949
142 HG23 THR 24 HG23 THR 24 -7.548 -7.200 5.696
143 H CYS 25 H CYS 25 -4.097 -3.757 5.292
144 HA CYS 25 HA CYS 25 -2.042 -3.573 3.289
145 HB2 CYS 25 HB2 CYS 25 -2.521 -1.890 5.248
146 HB3 CYS 25 HB3 CYS 25 -1.564 -2.996 6.252
147 H GLN 26 H GLN 26 -0.498 -4.959 2.779
148 HA GLN 26 HA GLN 26 0.491 -6.818 4.814
149 HB2 GLN 26 HB2 GLN 26 -0.284 -7.817 2.008
150 HB3 GLN 26 HB3 GLN 26 0.140 -8.797 3.448
151 HG2 GLN 26 HG2 GLN 26 -2.054 -8.131 4.521
152 HG3 GLN 26 HG3 GLN 26 -2.440 -7.115 3.086
153 HE21 GLN 26 HE21 GLN 26 -4.380 -8.547 3.229
154 HE22 GLN 26 HE22 GLN 26 -4.319 -10.017 2.301
155 H VAL 27 H VAL 27 2.373 -8.125 3.599
156 HA VAL 27 HA VAL 27 4.000 -5.984 2.371
157 HB VAL 27 HB VAL 27 4.607 -8.282 4.221
158 HG11 VAL 27 HG11 VAL 27 6.391 -8.561 2.621
159 HG12 VAL 27 HG12 VAL 27 7.091 -7.458 3.863
160 HG13 VAL 27 HG13 VAL 27 6.506 -6.786 2.305
161 HG21 VAL 27 HG21 VAL 27 3.976 -5.618 4.707
162 HG22 VAL 27 HG22 VAL 27 5.741 -5.471 4.463
163 HG23 VAL 27 HG23 VAL 27 5.099 -6.566 5.741
164 H LEU 28 H LEU 28 4.615 -6.166 0.321
165 HA LEU 28 HA LEU 28 4.586 -8.859 -0.921
166 HB2 LEU 28 HB2 LEU 28 3.380 -7.447 -2.324
167 HB3 LEU 28 HB3 LEU 28 4.390 -6.024 -1.964
168 HG LEU 28 HG LEU 28 6.151 -6.738 -3.454
169 HD11 LEU 28 HD11 LEU 28 5.107 -9.475 -3.050
170 HD12 LEU 28 HD12 LEU 28 6.710 -8.909 -3.632
171 HD13 LEU 28 HD13 LEU 28 5.361 -9.128 -4.791
172 HD21 LEU 28 HD21 LEU 28 4.593 -7.434 -5.628
173 HD22 LEU 28 HD22 LEU 28 4.725 -5.783 -4.993
174 HD23 LEU 28 HD23 LEU 28 3.324 -6.822 -4.516
175 H ASN 29 H ASN 29 6.708 -6.021 -0.186
176 HA ASN 29 HA ASN 29 8.928 -7.866 -0.197
177 HB2 ASN 29 HB2 ASN 29 10.197 -6.887 -2.003
178 HB3 ASN 29 HB3 ASN 29 8.551 -7.133 -2.652
179 HD21 ASN 29 HD21 ASN 29 8.771 -5.427 -4.297
180 HD22 ASN 29 HD22 ASN 29 8.815 -3.758 -3.775
181 HA PRO 30 HA PRO 30 9.973 -5.290 3.100
182 HB2 PRO 30 HB2 PRO 30 12.854 -4.793 2.601
183 HB3 PRO 30 HB3 PRO 30 12.127 -6.063 3.628
184 HG2 PRO 30 HG2 PRO 30 13.480 -6.482 1.118
185 HG3 PRO 30 HG3 PRO 30 12.488 -7.685 2.032
186 HD2 PRO 30 HD2 PRO 30 11.728 -6.019 -0.377
187 HD3 PRO 30 HD3 PRO 30 11.100 -7.636 0.179
188 H TYR 31 H TYR 31 9.904 -3.800 0.165
189 HA TYR 31 HA TYR 31 10.501 -1.122 1.205
190 HB2 TYR 31 HB2 TYR 31 11.273 -2.395 -1.514
191 HB3 TYR 31 HB3 TYR 31 11.355 -0.624 -1.196
192 HD1 TYR 31 HD2 TYR 31 12.699 -3.947 0.015
193 HD2 TYR 31 HD1 TYR 31 13.270 0.287 -0.207
194 HE1 TYR 31 HE2 TYR 31 14.826 -4.170 1.273
195 HE2 TYR 31 HE1 TYR 31 15.390 0.074 1.050
196 HH TYR 31 HH TYR 31 16.695 -1.322 2.272
197 H TYR 32 H TYR 32 8.040 -3.032 0.553
198 HA TYR 32 HA TYR 32 6.274 -1.016 -0.505
199 HB2 TYR 32 HB2 TYR 32 7.327 -1.766 -2.666
200 HB3 TYR 32 HB3 TYR 32 7.044 -3.471 -2.165
201 HD1 TYR 32 HD2 TYR 32 4.989 -0.387 -2.477
202 HD2 TYR 32 HD1 TYR 32 5.347 -4.528 -3.284
203 HE1 TYR 32 HE2 TYR 32 2.717 -0.341 -3.552
204 HE2 TYR 32 HE1 TYR 32 3.095 -4.498 -4.392
205 HH TYR 32 HH TYR 32 1.092 -1.634 -4.617
206 H SER 33 H SER 33 4.952 -1.345 1.303
207 HA SER 33 HA SER 33 3.713 -4.008 1.512
208 HB2 SER 33 HB2 SER 33 3.246 -1.584 3.295
209 HB3 SER 33 HB3 SER 33 2.469 -3.179 3.478
210 HG SER 33 HG SER 33 5.226 -2.512 3.667
211 H GLN 34 H GLN 34 1.952 -4.456 0.545
212 HA GLN 34 HA GLN 34 0.666 -2.414 -1.077
213 HB2 GLN 34 HB2 GLN 34 1.770 -4.340 -2.147
214 HB3 GLN 34 HB3 GLN 34 0.772 -5.486 -1.202
215 HG2 GLN 34 HG2 GLN 34 -1.288 -4.736 -2.374
216 HG3 GLN 34 HG3 GLN 34 -0.378 -3.412 -3.182
217 HE21 GLN 34 HE21 GLN 34 0.515 -3.934 -5.196
218 HE22 GLN 34 HE22 GLN 34 0.449 -5.550 -5.871
219 H CYS 35 H CYS 35 -1.619 -2.347 -1.252
220 HA CYS 35 HA CYS 35 -3.149 -3.378 1.038
221 HB2 CYS 35 HB2 CYS 35 -3.725 -1.369 -1.223
222 HB3 CYS 35 HB3 CYS 35 -4.935 -1.817 0.017
223 H LEU 36 H LEU 36 -4.299 -5.282 0.817
224 HA LEU 36 HA LEU 36 -4.999 -6.114 -1.916
225 HB2 LEU 36 HB2 LEU 36 -4.483 -7.722 0.640
226 HB3 LEU 36 HB3 LEU 36 -4.989 -8.414 -0.933
227 HG LEU 36 HG LEU 36 -2.671 -8.803 -0.755
228 HD11 LEU 36 HD11 LEU 36 -2.850 -6.294 -2.549
229 HD12 LEU 36 HD12 LEU 36 -3.656 -7.841 -2.974
230 HD13 LEU 36 HD13 LEU 36 -1.862 -7.779 -2.802
231 HD21 LEU 36 HD21 LEU 36 -1.833 -5.892 -0.520
232 HD22 LEU 36 HD22 LEU 36 -0.977 -7.380 -0.002
233 HD23 LEU 36 HD23 LEU 36 -2.372 -6.742 0.953
234 H1 MAN 101 H1 MAN 37 -9.699 2.826 0.291
235 H2 MAN 101 H2 MAN 37 -7.778 3.990 -0.651
236 H3 MAN 101 H3 MAN 37 -8.429 6.224 0.022
237 H4 MAN 101 H4 MAN 37 -10.475 6.060 -2.204
238 H5 MAN 101 H5 MAN 37 -10.939 6.186 0.837
239 H61 MAN 101 H61 MAN 37 -12.834 5.553 -1.492
240 H62 MAN 101 H62 MAN 37 -12.740 7.123 -0.620
241 HO2 MAN 101 HO2 MAN 37 -10.004 3.954 -2.415
242 HO3 MAN 101 HO3 MAN 37 -7.706 7.248 -1.892
243 HO4 MAN 101 HO4 MAN 37 -9.960 8.141 -0.259
244 HO6 MAN 101 HO6 MAN 37 -13.052 4.793 0.959
245 H1 MAN 102 H1 MAN 38 -6.134 3.982 -7.074
246 H2 MAN 102 H2 MAN 38 -4.438 2.142 -7.197
247 H3 MAN 102 H3 MAN 38 -3.389 2.726 -5.023
248 H4 MAN 102 H4 MAN 38 -2.089 4.972 -6.639
249 H5 MAN 102 H5 MAN 38 -4.045 5.115 -4.271
250 H61 MAN 102 H61 MAN 38 -3.024 7.294 -6.174
251 H62 MAN 102 H62 MAN 38 -2.498 7.052 -4.464
252 HO2 MAN 102 HO2 MAN 38 -3.738 4.694 -8.209
253 HO3 MAN 102 HO3 MAN 38 -1.124 2.629 -5.972
254 HO4 MAN 102 HO4 MAN 38 -0.727 5.055 -4.997
255 HO6 MAN 102 HO6 MAN 38 -5.236 7.387 -5.209
256 H1 MAN 103 H1 MAN 39 7.165 12.255 -0.036
257 H2 MAN 103 H2 MAN 39 5.854 12.637 -2.140
258 H3 MAN 103 H3 MAN 39 6.621 10.515 -3.233
259 H4 MAN 103 H4 MAN 39 9.234 12.064 -3.594
260 H5 MAN 103 H5 MAN 39 8.548 9.508 -2.024
261 H61 MAN 103 H61 MAN 39 11.136 11.163 -2.168
262 H62 MAN 103 H62 MAN 39 10.871 9.562 -2.940
263 HO2 MAN 103 HO2 MAN 39 8.543 13.494 -2.033
264 HO3 MAN 103 HO3 MAN 39 6.472 12.984 -4.422
265 HO4 MAN 103 HO4 MAN 39 8.218 9.748 -4.805
266 HO6 MAN 103 HO6 MAN 39 10.568 10.033 -0.129
Start of MODEL 5
1 H1 THR 1 H1 THR 1 -7.357 6.762 3.572
2 H2 THR 1 H2 THR 1 -8.509 6.265 2.428
3 H3 THR 1 H3 THR 1 -7.136 7.123 1.907
4 HA THR 1 HA THR 1 -6.135 4.911 3.165
5 HB THR 1 HB THR 1 -7.567 3.088 1.684
6 HG21 THR 1 HG21 THR 1 -8.710 4.301 4.302
7 HG22 THR 1 HG22 THR 1 -7.352 3.125 4.183
8 HG23 THR 1 HG23 THR 1 -8.977 2.655 3.658
9 H GLN 2 H GLN 2 -5.370 3.124 1.301
10 HA GLN 2 HA GLN 2 -4.986 4.549 -1.249
11 HB2 GLN 2 HB2 GLN 2 -3.063 3.195 0.363
12 HB3 GLN 2 HB3 GLN 2 -3.426 1.996 -0.883
13 HG2 GLN 2 HG2 GLN 2 -1.700 3.345 -1.907
14 HG3 GLN 2 HG3 GLN 2 -3.202 3.929 -2.679
15 HE21 GLN 2 HE21 GLN 2 -1.070 4.391 0.118
16 HE22 GLN 2 HE22 GLN 2 -1.326 6.091 0.322
17 H SER 3 H SER 3 -5.174 3.243 -3.185
18 HA SER 3 HA SER 3 -7.514 1.705 -3.132
19 HB2 SER 3 HB2 SER 3 -5.867 1.467 -5.622
20 HB3 SER 3 HB3 SER 3 -7.522 2.183 -5.403
21 H HIS 4 H HIS 4 -7.642 -0.445 -4.382
22 HA HIS 4 HA HIS 4 -6.011 -2.407 -3.160
23 HB2 HIS 4 HB2 HIS 4 -8.353 -2.646 -4.350
24 HB3 HIS 4 HB3 HIS 4 -7.423 -2.808 -5.874
25 HD1 HIS 4 HD1 HIS 4 -9.153 -5.116 -4.974
26 HD2 HIS 4 HD2 HIS 4 -5.217 -4.778 -3.555
27 HE1 HIS 4 HE1 HIS 4 -8.429 -7.415 -4.239
28 HE2 HIS 4 HE2 HIS 4 -6.187 -7.074 -3.155
29 H TYR 5 H TYR 5 -4.089 -3.174 -3.593
30 HA TYR 5 HA TYR 5 -2.228 -3.664 -4.495
31 HB2 TYR 5 HB2 TYR 5 -3.131 -2.869 -7.295
32 HB3 TYR 5 HB3 TYR 5 -1.767 -3.949 -6.854
33 HD1 TYR 5 HD1 TYR 5 -2.283 -6.220 -5.745
34 HD2 TYR 5 HD2 TYR 5 -5.319 -3.671 -7.399
35 HE1 TYR 5 HE1 TYR 5 -3.850 -8.134 -5.826
36 HE2 TYR 5 HE2 TYR 5 -6.908 -5.571 -7.424
37 HH TYR 5 HH TYR 5 -5.921 -8.839 -6.866
38 H GLY 6 H GLY 6 -3.220 -0.778 -3.851
39 HA2 GLY 6 HA2 GLY 6 -1.040 0.799 -4.974
40 HA3 GLY 6 HA3 GLY 6 -2.304 1.296 -3.784
41 H GLN 7 H GLN 7 -0.408 2.336 -2.634
42 HA GLN 7 HA GLN 7 1.220 0.352 -1.186
43 HB2 GLN 7 HB2 GLN 7 1.856 2.629 -2.692
44 HB3 GLN 7 HB3 GLN 7 1.840 3.291 -1.075
45 HG2 GLN 7 HG2 GLN 7 3.888 2.450 -0.561
46 HG3 GLN 7 HG3 GLN 7 3.358 0.796 -0.949
47 HE21 GLN 7 HE21 GLN 7 6.045 1.827 -1.557
48 HE22 GLN 7 HE22 GLN 7 6.162 1.700 -3.289
49 H CYS 8 H CYS 8 1.280 0.327 1.045
50 HA CYS 8 HA CYS 8 -0.041 2.613 2.459
51 HB2 CYS 8 HB2 CYS 8 -1.681 1.096 2.881
52 HB3 CYS 8 HB3 CYS 8 -0.626 -0.327 2.612
53 H GLY 9 H GLY 9 2.751 0.609 2.130
54 HA2 GLY 9 HA2 GLY 9 4.065 2.054 4.314
55 HA3 GLY 9 HA3 GLY 9 3.687 0.315 4.619
56 H GLY 10 H GLY 10 4.542 1.808 1.558
57 HA2 GLY 10 HA2 GLY 10 6.835 -0.040 1.297
58 HA3 GLY 10 HA3 GLY 10 6.249 1.171 0.093
59 H ILE 11 H ILE 11 8.979 0.560 1.359
60 HA ILE 11 HA ILE 11 9.757 2.701 2.966
61 HB ILE 11 HB ILE 11 11.070 0.757 1.088
62 HG12 ILE 11 HG12 ILE 11 10.421 0.465 3.664
63 HG13 ILE 11 HG13 ILE 11 11.927 -0.235 2.996
64 HG21 ILE 11 HG21 ILE 11 12.485 3.290 2.153
65 HG22 ILE 11 HG22 ILE 11 12.420 2.664 0.461
66 HG23 ILE 11 HG23 ILE 11 13.370 1.801 1.704
67 HD11 ILE 11 HD11 ILE 11 12.201 0.990 5.247
68 HD12 ILE 11 HD12 ILE 11 11.888 2.533 4.367
69 HD13 ILE 11 HD13 ILE 11 13.317 1.515 3.948
70 H GLY 12 H GLY 12 9.572 2.480 -0.566
71 HA2 GLY 12 HA2 GLY 12 10.249 5.368 -0.791
72 HA3 GLY 12 HA3 GLY 12 10.219 4.141 -2.110
73 H TYR 13 H TYR 13 8.016 5.704 0.323
74 HA TYR 13 HA TYR 13 6.184 6.163 -1.897
75 HB2 TYR 13 HB2 TYR 13 5.643 3.857 -0.947
76 HB3 TYR 13 HB3 TYR 13 5.335 4.619 0.654
77 HD1 TYR 13 HD1 TYR 13 4.429 4.879 -3.001
78 HD2 TYR 13 HD2 TYR 13 3.136 5.421 1.072
79 HE1 TYR 13 HE1 TYR 13 2.172 5.522 -3.802
80 HE2 TYR 13 HE2 TYR 13 0.900 6.020 0.274
81 HH TYR 13 HH TYR 13 -0.521 5.968 -1.715
82 H SER 14 H SER 14 4.701 7.842 -1.552
83 HA SER 14 HA SER 14 4.947 9.302 1.006
84 HB2 SER 14 HB2 SER 14 5.188 10.619 -1.766
85 HB3 SER 14 HB3 SER 14 5.241 11.459 -0.141
86 H GLY 15 H GLY 15 2.727 8.059 1.007
87 HA2 GLY 15 HA2 GLY 15 0.733 10.031 0.328
88 HA3 GLY 15 HA3 GLY 15 0.633 8.463 -0.581
89 HA PRO 16 HA PRO 16 -1.756 8.101 3.394
90 HB2 PRO 16 HB2 PRO 16 -3.215 6.256 1.419
91 HB3 PRO 16 HB3 PRO 16 -3.937 7.266 2.725
92 HG2 PRO 16 HG2 PRO 16 -3.937 8.041 0.054
93 HG3 PRO 16 HG3 PRO 16 -3.767 9.258 1.382
94 HD2 PRO 16 HD2 PRO 16 -1.662 8.178 -0.506
95 HD3 PRO 16 HD3 PRO 16 -1.750 9.782 0.342
96 H THR 17 H THR 17 -1.780 6.474 4.974
97 HA THR 17 HA THR 17 -0.096 4.123 4.346
98 HB THR 17 HB THR 17 0.993 5.838 5.682
99 HG1 THR 17 HG1 THR 17 0.268 3.551 7.205
100 HG21 THR 17 HG21 THR 17 0.181 6.607 7.781
101 HG22 THR 17 HG22 THR 17 -1.019 5.279 7.956
102 HG23 THR 17 HG23 THR 17 -1.317 6.622 6.795
103 H VAL 18 H VAL 18 -3.062 4.395 4.176
104 HA VAL 18 HA VAL 18 -3.770 2.217 6.066
105 HB VAL 18 HB VAL 18 -5.660 4.508 5.279
106 HG11 VAL 18 HG11 VAL 18 -7.286 3.458 6.644
107 HG12 VAL 18 HG12 VAL 18 -6.068 2.577 7.624
108 HG13 VAL 18 HG13 VAL 18 -6.494 1.997 5.989
109 HG21 VAL 18 HG21 VAL 18 -3.682 4.238 7.551
110 HG22 VAL 18 HG22 VAL 18 -5.333 4.730 8.022
111 HG23 VAL 18 HG23 VAL 18 -4.416 5.717 6.825
112 H CYS 19 H CYS 19 -4.669 0.477 4.951
113 HA CYS 19 HA CYS 19 -5.198 0.834 2.105
114 HB2 CYS 19 HB2 CYS 19 -5.143 -1.505 4.053
115 HB3 CYS 19 HB3 CYS 19 -5.652 -1.748 2.387
116 H ALA 20 H ALA 20 -7.132 0.464 1.050
117 HA ALA 20 HA ALA 20 -9.384 1.639 1.940
118 HB1 ALA 20 HB1 ALA 20 -9.356 -0.779 0.027
119 HB2 ALA 20 HB2 ALA 20 -8.686 0.795 -0.475
120 HB3 ALA 20 HB3 ALA 20 -10.430 0.662 -0.068
121 H SER 21 H SER 21 -11.571 0.976 2.555
122 HA SER 21 HA SER 21 -11.409 -0.970 4.607
123 HB2 SER 21 HB2 SER 21 -13.046 0.883 4.623
124 HB3 SER 21 HB3 SER 21 -13.889 0.169 3.199
125 HG SER 21 HG SER 21 -13.882 -1.804 4.784
126 H GLY 22 H GLY 22 -11.580 -1.479 1.288
127 HA2 GLY 22 HA2 GLY 22 -12.554 -4.265 1.556
128 HA3 GLY 22 HA3 GLY 22 -12.352 -3.324 0.037
129 H THR 23 H THR 23 -9.645 -2.590 1.864
130 HA THR 23 HA THR 23 -8.162 -4.835 0.755
131 HB THR 23 HB THR 23 -6.335 -3.505 -0.052
132 HG1 THR 23 HG1 THR 23 -6.335 -1.749 1.111
133 HG21 THR 23 HG21 THR 23 -9.059 -2.748 -1.218
134 HG22 THR 23 HG22 THR 23 -7.760 -3.816 -1.874
135 HG23 THR 23 HG23 THR 23 -7.550 -2.021 -1.844
136 H THR 24 H THR 24 -6.073 -5.146 1.844
137 HA THR 24 HA THR 24 -5.909 -3.827 4.533
138 HB THR 24 HB THR 24 -5.844 -6.747 3.730
139 HG1 THR 24 HG1 THR 24 -7.767 -5.773 4.419
140 HG21 THR 24 HG21 THR 24 -5.285 -7.074 6.300
141 HG22 THR 24 HG22 THR 24 -4.649 -5.403 6.260
142 HG23 THR 24 HG23 THR 24 -3.906 -6.675 5.224
143 H CYS 25 H CYS 25 -3.856 -3.389 5.400
144 HA CYS 25 HA CYS 25 -1.734 -3.101 3.492
145 HB2 CYS 25 HB2 CYS 25 -1.687 -2.929 6.561
146 HB3 CYS 25 HB3 CYS 25 -0.348 -2.418 5.490
147 H GLN 26 H GLN 26 -0.535 -4.783 2.693
148 HA GLN 26 HA GLN 26 0.460 -6.697 4.702
149 HB2 GLN 26 HB2 GLN 26 -0.580 -7.667 1.992
150 HB3 GLN 26 HB3 GLN 26 -0.068 -8.656 3.378
151 HG2 GLN 26 HG2 GLN 26 -2.083 -7.955 4.678
152 HG3 GLN 26 HG3 GLN 26 -2.558 -6.820 3.361
153 HE21 GLN 26 HE21 GLN 26 -4.588 -8.154 3.737
154 HE22 GLN 26 HE22 GLN 26 -4.785 -9.446 2.595
155 H VAL 27 H VAL 27 2.366 -7.817 4.005
156 HA VAL 27 HA VAL 27 4.040 -6.036 2.456
157 HB VAL 27 HB VAL 27 4.566 -8.473 4.176
158 HG11 VAL 27 HG11 VAL 27 6.251 -8.714 2.469
159 HG12 VAL 27 HG12 VAL 27 7.062 -7.729 3.741
160 HG13 VAL 27 HG13 VAL 27 6.420 -6.923 2.274
161 HG21 VAL 27 HG21 VAL 27 4.041 -6.226 5.279
162 HG22 VAL 27 HG22 VAL 27 5.380 -5.477 4.338
163 HG23 VAL 27 HG23 VAL 27 5.738 -6.750 5.561
164 H LEU 28 H LEU 28 4.332 -6.213 0.332
165 HA LEU 28 HA LEU 28 4.072 -8.876 -0.945
166 HB2 LEU 28 HB2 LEU 28 2.730 -7.332 -2.045
167 HB3 LEU 28 HB3 LEU 28 3.849 -5.970 -1.798
168 HG LEU 28 HG LEU 28 5.170 -6.516 -3.685
169 HD11 LEU 28 HD11 LEU 28 4.375 -9.331 -3.269
170 HD12 LEU 28 HD12 LEU 28 5.807 -8.607 -4.085
171 HD13 LEU 28 HD13 LEU 28 4.271 -8.807 -4.994
172 HD21 LEU 28 HD21 LEU 28 2.648 -5.783 -3.995
173 HD22 LEU 28 HD22 LEU 28 2.518 -7.367 -4.831
174 HD23 LEU 28 HD23 LEU 28 3.718 -6.146 -5.399
175 H ASN 29 H ASN 29 6.372 -6.555 0.255
176 HA ASN 29 HA ASN 29 8.620 -8.072 -0.517
177 HB2 ASN 29 HB2 ASN 29 9.466 -5.666 -1.837
178 HB3 ASN 29 HB3 ASN 29 9.093 -7.239 -2.597
179 HD21 ASN 29 HD21 ASN 29 6.499 -5.139 -1.244
180 HD22 ASN 29 HD22 ASN 29 5.843 -4.815 -2.819
181 HA PRO 30 HA PRO 30 9.907 -5.780 2.899
182 HB2 PRO 30 HB2 PRO 30 12.723 -5.601 2.630
183 HB3 PRO 30 HB3 PRO 30 11.832 -7.120 2.999
184 HG2 PRO 30 HG2 PRO 30 12.983 -6.223 0.321
185 HG3 PRO 30 HG3 PRO 30 12.891 -7.876 1.032
186 HD2 PRO 30 HD2 PRO 30 11.121 -6.808 -0.885
187 HD3 PRO 30 HD3 PRO 30 10.719 -8.206 0.209
188 H TYR 31 H TYR 31 10.050 -4.239 -0.054
189 HA TYR 31 HA TYR 31 10.592 -1.623 1.217
190 HB2 TYR 31 HB2 TYR 31 11.694 -2.763 -1.422
191 HB3 TYR 31 HB3 TYR 31 11.531 -0.982 -1.190
192 HD1 TYR 31 HD2 TYR 31 13.065 -4.059 0.381
193 HD2 TYR 31 HD1 TYR 31 13.093 0.205 0.051
194 HE1 TYR 31 HE2 TYR 31 14.992 -3.961 1.936
195 HE2 TYR 31 HE1 TYR 31 15.043 0.308 1.592
196 HH TYR 31 HH TYR 31 17.026 -1.851 2.219
197 H TYR 32 H TYR 32 8.153 -3.412 0.222
198 HA TYR 32 HA TYR 32 6.631 -1.115 -0.488
199 HB2 TYR 32 HB2 TYR 32 7.163 -1.197 -2.685
200 HB3 TYR 32 HB3 TYR 32 7.367 -2.933 -2.747
201 HD1 TYR 32 HD2 TYR 32 4.734 -0.619 -1.674
202 HD2 TYR 32 HD1 TYR 32 5.611 -3.892 -4.295
203 HE1 TYR 32 HE2 TYR 32 2.446 -0.469 -2.641
204 HE2 TYR 32 HE1 TYR 32 3.283 -3.825 -5.131
205 HH TYR 32 HH TYR 32 0.944 -1.429 -3.930
206 H SER 33 H SER 33 4.945 -1.155 0.876
207 HA SER 33 HA SER 33 3.764 -3.837 1.402
208 HB2 SER 33 HB2 SER 33 3.188 -1.351 3.049
209 HB3 SER 33 HB3 SER 33 2.651 -3.027 3.332
210 HG SER 33 HG SER 33 5.337 -2.018 3.414
211 H GLN 34 H GLN 34 2.000 -4.280 0.405
212 HA GLN 34 HA GLN 34 0.851 -2.238 -1.298
213 HB2 GLN 34 HB2 GLN 34 1.829 -4.198 -2.370
214 HB3 GLN 34 HB3 GLN 34 0.842 -5.307 -1.375
215 HG2 GLN 34 HG2 GLN 34 -1.228 -4.616 -2.513
216 HG3 GLN 34 HG3 GLN 34 -0.406 -3.250 -3.312
217 HE21 GLN 34 HE21 GLN 34 0.468 -3.652 -5.373
218 HE22 GLN 34 HE22 GLN 34 0.503 -5.257 -6.076
219 H CYS 35 H CYS 35 -1.489 -2.211 -1.573
220 HA CYS 35 HA CYS 35 -2.972 -3.047 0.843
221 HB2 CYS 35 HB2 CYS 35 -3.430 -1.077 -1.464
222 HB3 CYS 35 HB3 CYS 35 -4.792 -1.515 -0.404
223 H LEU 36 H LEU 36 -3.966 -4.961 0.839
224 HA LEU 36 HA LEU 36 -4.833 -5.993 -1.771
225 HB2 LEU 36 HB2 LEU 36 -4.044 -7.405 0.829
226 HB3 LEU 36 HB3 LEU 36 -4.625 -8.228 -0.649
227 HG LEU 36 HG LEU 36 -2.285 -8.493 -0.618
228 HD11 LEU 36 HD11 LEU 36 -3.448 -7.741 -2.820
229 HD12 LEU 36 HD12 LEU 36 -1.659 -7.534 -2.765
230 HD13 LEU 36 HD13 LEU 36 -2.746 -6.113 -2.540
231 HD21 LEU 36 HD21 LEU 36 -0.612 -6.901 -0.115
232 HD22 LEU 36 HD22 LEU 36 -1.964 -6.359 0.961
233 HD23 LEU 36 HD23 LEU 36 -1.649 -5.519 -0.580
234 H1 MAN 101 H1 MAN 37 -9.502 2.824 0.443
235 H2 MAN 101 H2 MAN 37 -7.667 4.006 -0.562
236 H3 MAN 101 H3 MAN 37 -8.284 6.255 0.079
237 H4 MAN 101 H4 MAN 37 -10.465 6.106 -2.005
238 H5 MAN 101 H5 MAN 37 -10.748 6.138 1.059
239 H61 MAN 101 H61 MAN 37 -12.769 5.562 -1.173
240 H62 MAN 101 H62 MAN 37 -12.641 7.088 -0.219
241 HO2 MAN 101 HO2 MAN 37 -9.932 3.937 -2.258
242 HO3 MAN 101 HO3 MAN 37 -6.877 6.165 -1.677
243 HO4 MAN 101 HO4 MAN 37 -10.237 8.205 -1.661
244 HO6 MAN 101 HO6 MAN 37 -13.056 4.480 0.910
245 H1 MAN 102 H1 MAN 38 -6.660 3.939 -6.995
246 H2 MAN 102 H2 MAN 38 -4.944 2.135 -7.279
247 H3 MAN 102 H3 MAN 38 -3.667 2.786 -5.271
248 H4 MAN 102 H4 MAN 38 -2.611 5.087 -6.988
249 H5 MAN 102 H5 MAN 38 -4.327 5.190 -4.453
250 H61 MAN 102 H61 MAN 38 -3.543 7.338 -6.497
251 H62 MAN 102 H62 MAN 38 -2.814 7.125 -4.868
252 HO2 MAN 102 HO2 MAN 38 -4.293 2.968 -9.097
253 HO3 MAN 102 HO3 MAN 38 -2.128 2.676 -7.662
254 HO4 MAN 102 HO4 MAN 38 -1.361 3.867 -5.262
255 HO6 MAN 102 HO6 MAN 38 -5.050 7.440 -4.046
256 H1 MAN 103 H1 MAN 39 7.448 12.164 0.042
257 H2 MAN 103 H2 MAN 39 6.322 12.452 -2.177
258 H3 MAN 103 H3 MAN 39 7.051 10.252 -3.058
259 H4 MAN 103 H4 MAN 39 9.762 11.629 -3.353
260 H5 MAN 103 H5 MAN 39 8.903 9.253 -1.602
261 H61 MAN 103 H61 MAN 39 11.531 10.838 -1.747
262 H62 MAN 103 H62 MAN 39 11.277 9.181 -2.386
263 HO2 MAN 103 HO2 MAN 39 9.055 13.197 -1.974
264 HO3 MAN 103 HO3 MAN 39 7.123 10.958 -5.136
265 HO4 MAN 103 HO4 MAN 39 8.856 9.030 -4.168
266 HO6 MAN 103 HO6 MAN 39 10.577 8.783 0.006
Start of MODEL 6
1 H1 THR 1 H1 THR 1 -8.357 6.803 1.555
2 H2 THR 1 H2 THR 1 -7.129 7.408 0.549
3 H3 THR 1 H3 THR 1 -7.015 7.608 2.243
4 HA THR 1 HA THR 1 -5.991 5.578 2.356
5 HB THR 1 HB THR 1 -7.467 3.530 1.241
6 HG21 THR 1 HG21 THR 1 -9.095 3.791 3.239
7 HG22 THR 1 HG22 THR 1 -8.200 5.298 3.667
8 HG23 THR 1 HG23 THR 1 -7.353 3.735 3.604
9 H GLN 2 H GLN 2 -5.226 3.487 0.908
10 HA GLN 2 HA GLN 2 -4.873 4.337 -1.891
11 HB2 GLN 2 HB2 GLN 2 -2.980 3.199 -0.067
12 HB3 GLN 2 HB3 GLN 2 -3.443 1.820 -1.079
13 HG2 GLN 2 HG2 GLN 2 -1.652 2.865 -2.309
14 HG3 GLN 2 HG3 GLN 2 -3.134 3.315 -3.186
15 HE21 GLN 2 HE21 GLN 2 -1.051 4.389 -0.466
16 HE22 GLN 2 HE22 GLN 2 -1.336 6.092 -0.682
17 H SER 3 H SER 3 -5.210 2.731 -3.532
18 HA SER 3 HA SER 3 -7.614 1.281 -3.106
19 HB2 SER 3 HB2 SER 3 -6.194 0.728 -5.686
20 HB3 SER 3 HB3 SER 3 -7.804 1.519 -5.412
21 H HIS 4 H HIS 4 -7.884 -0.962 -4.048
22 HA HIS 4 HA HIS 4 -6.255 -2.810 -2.734
23 HB2 HIS 4 HB2 HIS 4 -8.651 -3.074 -3.809
24 HB3 HIS 4 HB3 HIS 4 -7.784 -3.497 -5.320
25 HD1 HIS 4 HD1 HIS 4 -9.620 -5.521 -3.955
26 HD2 HIS 4 HD2 HIS 4 -5.573 -5.265 -2.878
27 HE1 HIS 4 HE1 HIS 4 -8.966 -7.758 -2.997
28 HE2 HIS 4 HE2 HIS 4 -6.622 -7.452 -2.161
29 H TYR 5 H TYR 5 -4.375 -3.675 -3.122
30 HA TYR 5 HA TYR 5 -2.571 -4.393 -4.005
31 HB2 TYR 5 HB2 TYR 5 -3.556 -3.991 -6.868
32 HB3 TYR 5 HB3 TYR 5 -2.234 -5.071 -6.308
33 HD1 TYR 5 HD1 TYR 5 -2.825 -7.103 -4.848
34 HD2 TYR 5 HD2 TYR 5 -5.783 -4.672 -6.796
35 HE1 TYR 5 HE1 TYR 5 -4.498 -8.917 -4.588
36 HE2 TYR 5 HE2 TYR 5 -7.464 -6.464 -6.493
37 HH TYR 5 HH TYR 5 -7.158 -9.291 -6.171
38 H GLY 6 H GLY 6 -3.426 -1.401 -3.845
39 HA2 GLY 6 HA2 GLY 6 -1.200 -0.139 -5.286
40 HA3 GLY 6 HA3 GLY 6 -2.480 0.626 -4.258
41 H GLN 7 H GLN 7 -0.256 1.705 -3.547
42 HA GLN 7 HA GLN 7 1.112 -0.061 -1.659
43 HB2 GLN 7 HB2 GLN 7 2.250 1.153 -3.513
44 HB3 GLN 7 HB3 GLN 7 1.825 2.705 -2.772
45 HG2 GLN 7 HG2 GLN 7 3.274 2.332 -0.863
46 HG3 GLN 7 HG3 GLN 7 3.164 0.558 -1.068
47 HE21 GLN 7 HE21 GLN 7 5.406 0.673 -0.734
48 HE22 GLN 7 HE22 GLN 7 6.443 0.736 -2.166
49 H CYS 8 H CYS 8 0.614 0.065 0.547
50 HA CYS 8 HA CYS 8 -0.422 2.685 1.563
51 HB2 CYS 8 HB2 CYS 8 -1.843 1.406 2.656
52 HB3 CYS 8 HB3 CYS 8 -0.955 -0.106 2.262
53 H GLY 9 H GLY 9 2.492 0.925 1.209
54 HA2 GLY 9 HA2 GLY 9 3.883 2.850 2.868
55 HA3 GLY 9 HA3 GLY 9 3.750 1.182 3.567
56 H GLY 10 H GLY 10 6.280 2.457 2.699
57 HA2 GLY 10 HA2 GLY 10 7.210 0.252 1.185
58 HA3 GLY 10 HA3 GLY 10 7.079 1.778 0.191
59 H ILE 11 H ILE 11 9.588 0.896 0.502
60 HA ILE 11 HA ILE 11 10.806 2.103 2.787
61 HB ILE 11 HB ILE 11 11.662 0.911 0.185
62 HG12 ILE 11 HG12 ILE 11 11.198 -0.160 2.625
63 HG13 ILE 11 HG13 ILE 11 12.452 -0.796 1.535
64 HG21 ILE 11 HG21 ILE 11 14.101 1.472 0.735
65 HG22 ILE 11 HG22 ILE 11 13.505 2.693 1.906
66 HG23 ILE 11 HG23 ILE 11 13.136 2.862 0.150
67 HD11 ILE 11 HD11 ILE 11 14.250 0.300 2.737
68 HD12 ILE 11 HD12 ILE 11 13.213 -0.557 3.923
69 HD13 ILE 11 HD13 ILE 11 13.085 1.236 3.757
70 H GLY 12 H GLY 12 9.737 3.383 -0.265
71 HA2 GLY 12 HA2 GLY 12 10.669 6.086 0.532
72 HA3 GLY 12 HA3 GLY 12 11.002 5.399 -1.108
73 H TYR 13 H TYR 13 8.082 4.625 0.581
74 HA TYR 13 HA TYR 13 6.580 5.875 -1.567
75 HB2 TYR 13 HB2 TYR 13 6.005 3.520 -0.718
76 HB3 TYR 13 HB3 TYR 13 5.517 4.272 0.853
77 HD1 TYR 13 HD1 TYR 13 5.101 4.793 -2.852
78 HD2 TYR 13 HD2 TYR 13 3.184 4.742 1.012
79 HE1 TYR 13 HE1 TYR 13 2.926 5.255 -3.926
80 HE2 TYR 13 HE2 TYR 13 1.020 5.117 -0.070
81 HH TYR 13 HH TYR 13 -0.061 5.097 -2.176
82 H SER 14 H SER 14 5.214 7.617 -1.369
83 HA SER 14 HA SER 14 5.029 8.935 1.305
84 HB2 SER 14 HB2 SER 14 5.538 10.121 -1.461
85 HB3 SER 14 HB3 SER 14 5.091 11.161 -0.019
86 H GLY 15 H GLY 15 3.113 7.329 -0.805
87 HA2 GLY 15 HA2 GLY 15 0.997 9.355 -0.979
88 HA3 GLY 15 HA3 GLY 15 0.961 7.660 -1.558
89 HA PRO 16 HA PRO 16 -1.585 8.243 2.350
90 HB2 PRO 16 HB2 PRO 16 -3.172 6.249 0.639
91 HB3 PRO 16 HB3 PRO 16 -3.827 7.515 1.746
92 HG2 PRO 16 HG2 PRO 16 -3.661 7.804 -1.037
93 HG3 PRO 16 HG3 PRO 16 -3.497 9.221 0.082
94 HD2 PRO 16 HD2 PRO 16 -1.393 7.828 -1.543
95 HD3 PRO 16 HD3 PRO 16 -1.378 9.488 -0.811
96 H THR 17 H THR 17 -1.309 7.058 4.216
97 HA THR 17 HA THR 17 -0.117 4.419 3.868
98 HB THR 17 HB THR 17 1.203 5.964 5.135
99 HG1 THR 17 HG1 THR 17 -0.023 3.872 6.552
100 HG21 THR 17 HG21 THR 17 -0.412 7.571 5.948
101 HG22 THR 17 HG22 THR 17 0.206 6.747 7.414
102 HG23 THR 17 HG23 THR 17 -1.409 6.302 6.771
103 H VAL 18 H VAL 18 -3.058 4.948 3.664
104 HA VAL 18 HA VAL 18 -3.947 3.022 5.757
105 HB VAL 18 HB VAL 18 -5.605 5.361 4.668
106 HG11 VAL 18 HG11 VAL 18 -6.214 3.672 7.169
107 HG12 VAL 18 HG12 VAL 18 -6.733 3.057 5.577
108 HG13 VAL 18 HG13 VAL 18 -7.334 4.638 6.150
109 HG21 VAL 18 HG21 VAL 18 -5.366 6.057 7.219
110 HG22 VAL 18 HG22 VAL 18 -3.981 6.406 6.116
111 HG23 VAL 18 HG23 VAL 18 -3.927 4.982 7.217
112 H CYS 19 H CYS 19 -4.952 1.256 4.898
113 HA CYS 19 HA CYS 19 -5.462 1.230 2.024
114 HB2 CYS 19 HB2 CYS 19 -5.501 -0.837 4.285
115 HB3 CYS 19 HB3 CYS 19 -5.968 -1.270 2.650
116 H ALA 20 H ALA 20 -7.427 0.926 1.057
117 HA ALA 20 HA ALA 20 -9.662 2.196 1.826
118 HB1 ALA 20 HB1 ALA 20 -10.726 0.985 -0.003
119 HB2 ALA 20 HB2 ALA 20 -9.749 -0.498 0.323
120 HB3 ALA 20 HB3 ALA 20 -8.981 0.925 -0.427
121 H SER 21 H SER 21 -11.785 1.623 2.604
122 HA SER 21 HA SER 21 -11.624 0.100 4.971
123 HB2 SER 21 HB2 SER 21 -13.198 2.058 4.328
124 HB3 SER 21 HB3 SER 21 -14.178 0.850 3.426
125 HG SER 21 HG SER 21 -13.635 0.956 6.241
126 H GLY 22 H GLY 22 -11.747 -1.030 1.854
127 HA2 GLY 22 HA2 GLY 22 -12.717 -3.722 2.619
128 HA3 GLY 22 HA3 GLY 22 -12.662 -3.054 0.953
129 H THR 23 H THR 23 -9.812 -2.015 2.376
130 HA THR 23 HA THR 23 -8.396 -4.417 1.489
131 HB THR 23 HB THR 23 -6.495 -3.134 0.622
132 HG1 THR 23 HG1 THR 23 -6.835 -1.179 1.576
133 HG21 THR 23 HG21 THR 23 -7.825 -3.807 -1.196
134 HG22 THR 23 HG22 THR 23 -7.717 -2.036 -1.425
135 HG23 THR 23 HG23 THR 23 -9.214 -2.750 -0.733
136 H THR 24 H THR 24 -6.351 -4.773 2.521
137 HA THR 24 HA THR 24 -5.998 -3.360 5.118
138 HB THR 24 HB THR 24 -4.976 -5.664 5.860
139 HG1 THR 24 HG1 THR 24 -6.518 -6.364 3.550
140 HG21 THR 24 HG21 THR 24 -7.575 -6.407 6.148
141 HG22 THR 24 HG22 THR 24 -7.857 -4.714 5.615
142 HG23 THR 24 HG23 THR 24 -6.846 -5.042 7.063
143 H CYS 25 H CYS 25 -3.972 -2.690 5.805
144 HA CYS 25 HA CYS 25 -1.892 -2.553 3.834
145 HB2 CYS 25 HB2 CYS 25 -1.936 -1.991 6.851
146 HB3 CYS 25 HB3 CYS 25 -0.463 -1.770 5.866
147 H GLN 26 H GLN 26 -0.553 -4.173 3.220
148 HA GLN 26 HA GLN 26 0.523 -5.899 5.343
149 HB2 GLN 26 HB2 GLN 26 -0.526 -7.021 2.688
150 HB3 GLN 26 HB3 GLN 26 0.195 -7.938 4.033
151 HG2 GLN 26 HG2 GLN 26 -1.778 -7.117 5.511
152 HG3 GLN 26 HG3 GLN 26 -2.554 -6.523 3.996
153 HE21 GLN 26 HE21 GLN 26 -4.310 -8.027 4.026
154 HE22 GLN 26 HE22 GLN 26 -4.038 -9.747 3.869
155 H VAL 27 H VAL 27 2.194 -7.469 4.078
156 HA VAL 27 HA VAL 27 4.002 -5.581 2.698
157 HB VAL 27 HB VAL 27 4.455 -7.731 4.779
158 HG11 VAL 27 HG11 VAL 27 6.460 -6.607 2.714
159 HG12 VAL 27 HG12 VAL 27 6.153 -8.329 3.176
160 HG13 VAL 27 HG13 VAL 27 6.978 -7.217 4.323
161 HG21 VAL 27 HG21 VAL 27 3.988 -5.332 5.474
162 HG22 VAL 27 HG22 VAL 27 5.369 -4.781 4.457
163 HG23 VAL 27 HG23 VAL 27 5.664 -5.841 5.886
164 H LEU 28 H LEU 28 4.601 -6.060 0.687
165 HA LEU 28 HA LEU 28 4.312 -8.878 -0.212
166 HB2 LEU 28 HB2 LEU 28 2.956 -7.670 -1.645
167 HB3 LEU 28 HB3 LEU 28 3.944 -6.196 -1.520
168 HG LEU 28 HG LEU 28 5.600 -7.036 -3.084
169 HD11 LEU 28 HD11 LEU 28 4.501 -9.528 -4.121
170 HD12 LEU 28 HD12 LEU 28 4.679 -9.696 -2.348
171 HD13 LEU 28 HD13 LEU 28 6.090 -9.213 -3.344
172 HD21 LEU 28 HD21 LEU 28 2.740 -6.841 -3.795
173 HD22 LEU 28 HD22 LEU 28 3.593 -7.913 -4.946
174 HD23 LEU 28 HD23 LEU 28 4.193 -6.252 -4.694
175 H ASN 29 H ASN 29 6.574 -6.091 0.162
176 HA ASN 29 HA ASN 29 8.691 -8.002 0.143
177 HB2 ASN 29 HB2 ASN 29 9.844 -7.425 -1.871
178 HB3 ASN 29 HB3 ASN 29 8.142 -7.569 -2.376
179 HD21 ASN 29 HD21 ASN 29 8.276 -6.131 -4.220
180 HD22 ASN 29 HD22 ASN 29 8.579 -4.425 -3.971
181 HA PRO 30 HA PRO 30 10.136 -5.096 2.956
182 HB2 PRO 30 HB2 PRO 30 12.936 -4.645 2.059
183 HB3 PRO 30 HB3 PRO 30 12.357 -5.736 3.352
184 HG2 PRO 30 HG2 PRO 30 13.417 -6.563 0.809
185 HG3 PRO 30 HG3 PRO 30 12.517 -7.594 1.990
186 HD2 PRO 30 HD2 PRO 30 11.524 -6.293 -0.555
187 HD3 PRO 30 HD3 PRO 30 10.940 -7.792 0.303
188 H TYR 31 H TYR 31 10.079 -3.991 -0.245
189 HA TYR 31 HA TYR 31 10.545 -1.185 0.473
190 HB2 TYR 31 HB2 TYR 31 11.231 -2.729 -2.126
191 HB3 TYR 31 HB3 TYR 31 11.312 -0.938 -1.979
192 HD1 TYR 31 HD2 TYR 31 12.712 -4.115 -0.470
193 HD2 TYR 31 HD1 TYR 31 13.302 0.070 -1.216
194 HE1 TYR 31 HE2 TYR 31 14.922 -4.232 0.630
195 HE2 TYR 31 HE1 TYR 31 15.529 -0.063 -0.135
196 HH TYR 31 HH TYR 31 16.887 -3.111 1.012
197 H TYR 32 H TYR 32 8.088 -3.193 0.198
198 HA TYR 32 HA TYR 32 6.318 -1.331 -1.101
199 HB2 TYR 32 HB2 TYR 32 7.344 -2.542 -3.103
200 HB3 TYR 32 HB3 TYR 32 6.757 -4.077 -2.360
201 HD1 TYR 32 HD2 TYR 32 5.509 -0.745 -3.622
202 HD2 TYR 32 HD1 TYR 32 4.701 -4.871 -2.932
203 HE1 TYR 32 HE2 TYR 32 3.238 -0.450 -4.581
204 HE2 TYR 32 HE1 TYR 32 2.457 -4.615 -3.995
205 HH TYR 32 HH TYR 32 1.472 -2.297 -5.799
206 H SER 33 H SER 33 4.859 -1.213 0.489
207 HA SER 33 HA SER 33 3.757 -3.688 1.606
208 HB2 SER 33 HB2 SER 33 3.134 -0.867 2.621
209 HB3 SER 33 HB3 SER 33 2.953 -2.423 3.472
210 HG SER 33 HG SER 33 5.000 -0.759 3.541
211 H GLN 34 H GLN 34 1.780 -4.243 0.882
212 HA GLN 34 HA GLN 34 0.592 -2.447 -1.113
213 HB2 GLN 34 HB2 GLN 34 1.564 -4.534 -1.890
214 HB3 GLN 34 HB3 GLN 34 0.557 -5.488 -0.765
215 HG2 GLN 34 HG2 GLN 34 -1.522 -4.748 -2.004
216 HG3 GLN 34 HG3 GLN 34 -0.502 -3.697 -3.061
217 HE21 GLN 34 HE21 GLN 34 -0.057 -4.649 -5.014
218 HE22 GLN 34 HE22 GLN 34 -0.022 -6.389 -5.282
219 H CYS 35 H CYS 35 -1.705 -2.276 -1.248
220 HA CYS 35 HA CYS 35 -3.163 -2.816 1.261
221 HB2 CYS 35 HB2 CYS 35 -3.612 -1.119 -1.238
222 HB3 CYS 35 HB3 CYS 35 -5.023 -1.461 -0.192
223 H LEU 36 H LEU 36 -4.159 -4.729 1.510
224 HA LEU 36 HA LEU 36 -5.123 -6.052 -0.925
225 HB2 LEU 36 HB2 LEU 36 -4.317 -7.072 1.843
226 HB3 LEU 36 HB3 LEU 36 -5.061 -8.102 0.582
227 HG LEU 36 HG LEU 36 -2.734 -8.521 0.523
228 HD11 LEU 36 HD11 LEU 36 -4.055 -8.117 -1.710
229 HD12 LEU 36 HD12 LEU 36 -2.251 -8.128 -1.815
230 HD13 LEU 36 HD13 LEU 36 -3.143 -6.565 -1.828
231 HD21 LEU 36 HD21 LEU 36 -2.115 -6.204 1.606
232 HD22 LEU 36 HD22 LEU 36 -2.022 -5.606 -0.070
233 HD23 LEU 36 HD23 LEU 36 -0.942 -6.942 0.431
234 H1 MAN 101 H1 MAN 37 -9.297 3.067 0.076
235 H2 MAN 101 H2 MAN 37 -7.536 4.138 -1.151
236 H3 MAN 101 H3 MAN 37 -8.274 6.404 -0.925
237 H4 MAN 101 H4 MAN 37 -10.443 5.699 -2.925
238 H5 MAN 101 H5 MAN 37 -10.723 6.389 0.063
239 H61 MAN 101 H61 MAN 37 -12.720 5.308 -1.990
240 H62 MAN 101 H62 MAN 37 -12.623 7.016 -1.407
241 HO2 MAN 101 HO2 MAN 37 -8.208 3.590 -3.159
242 HO3 MAN 101 HO3 MAN 37 -7.458 6.987 -2.862
243 HO4 MAN 101 HO4 MAN 37 -10.424 7.829 -3.067
244 HO6 MAN 101 HO6 MAN 37 -14.181 5.563 -0.263
245 H1 MAN 102 H1 MAN 38 -7.017 3.038 -7.262
246 H2 MAN 102 H2 MAN 38 -5.358 1.165 -7.482
247 H3 MAN 102 H3 MAN 38 -3.891 2.044 -5.658
248 H4 MAN 102 H4 MAN 38 -3.047 4.032 -7.820
249 H5 MAN 102 H5 MAN 38 -4.400 4.479 -5.097
250 H61 MAN 102 H61 MAN 38 -3.863 6.399 -7.423
251 H62 MAN 102 H62 MAN 38 -2.994 6.375 -5.847
252 HO2 MAN 102 HO2 MAN 38 -5.533 2.156 -9.428
253 HO3 MAN 102 HO3 MAN 38 -3.044 0.459 -7.165
254 HO4 MAN 102 HO4 MAN 38 -2.040 3.697 -5.151
255 HO6 MAN 102 HO6 MAN 38 -5.819 6.694 -6.157
256 H1 MAN 103 H1 MAN 39 7.035 12.298 0.307
257 H2 MAN 103 H2 MAN 39 6.631 11.754 -2.111
258 H3 MAN 103 H3 MAN 39 7.892 9.603 -2.015
259 H4 MAN 103 H4 MAN 39 10.344 11.426 -1.973
260 H5 MAN 103 H5 MAN 39 9.259 9.411 0.080
261 H61 MAN 103 H61 MAN 39 11.563 11.438 0.240
262 H62 MAN 103 H62 MAN 39 11.739 9.652 0.101
263 HO2 MAN 103 HO2 MAN 39 7.771 13.713 -1.597
264 HO3 MAN 103 HO3 MAN 39 7.881 11.363 -4.030
265 HO4 MAN 103 HO4 MAN 39 10.032 8.595 -2.235
266 HO6 MAN 103 HO6 MAN 39 10.271 10.926 2.198
Start of MODEL 7
1 H1 THR 1 H1 THR 1 -7.245 6.914 3.250
2 H2 THR 1 H2 THR 1 -8.148 6.539 1.871
3 H3 THR 1 H3 THR 1 -6.645 7.313 1.684
4 HA THR 1 HA THR 1 -5.889 5.084 2.918
5 HB THR 1 HB THR 1 -7.429 3.257 1.537
6 HG21 THR 1 HG21 THR 1 -8.959 3.133 3.536
7 HG22 THR 1 HG22 THR 1 -8.335 4.713 4.124
8 HG23 THR 1 HG23 THR 1 -7.242 3.304 3.984
9 H GLN 2 H GLN 2 -5.175 3.163 1.189
10 HA GLN 2 HA GLN 2 -4.757 4.432 -1.438
11 HB2 GLN 2 HB2 GLN 2 -2.892 3.061 0.238
12 HB3 GLN 2 HB3 GLN 2 -3.330 1.816 -0.940
13 HG2 GLN 2 HG2 GLN 2 -1.501 3.106 -1.963
14 HG3 GLN 2 HG3 GLN 2 -2.974 3.555 -2.855
15 HE21 GLN 2 HE21 GLN 2 -1.063 4.383 0.057
16 HE22 GLN 2 HE22 GLN 2 -1.391 6.093 0.024
17 H SER 3 H SER 3 -5.092 3.150 -3.332
18 HA SER 3 HA SER 3 -7.469 1.700 -3.223
19 HB2 SER 3 HB2 SER 3 -5.843 1.290 -5.691
20 HB3 SER 3 HB3 SER 3 -7.472 2.088 -5.492
21 H HIS 4 H HIS 4 -7.762 -0.482 -4.346
22 HA HIS 4 HA HIS 4 -6.257 -2.486 -3.035
23 HB2 HIS 4 HB2 HIS 4 -8.605 -2.660 -4.195
24 HB3 HIS 4 HB3 HIS 4 -7.708 -2.888 -5.732
25 HD1 HIS 4 HD1 HIS 4 -9.527 -5.101 -4.694
26 HD2 HIS 4 HD2 HIS 4 -5.530 -4.896 -3.427
27 HE1 HIS 4 HE1 HIS 4 -8.868 -7.410 -3.906
28 HE2 HIS 4 HE2 HIS 4 -6.561 -7.160 -2.974
29 H TYR 5 H TYR 5 -4.343 -3.345 -3.435
30 HA TYR 5 HA TYR 5 -2.510 -3.945 -4.338
31 HB2 TYR 5 HB2 TYR 5 -3.400 -3.216 -7.168
32 HB3 TYR 5 HB3 TYR 5 -2.091 -4.348 -6.686
33 HD1 TYR 5 HD1 TYR 5 -2.752 -6.474 -5.345
34 HD2 TYR 5 HD2 TYR 5 -5.587 -3.961 -7.371
35 HE1 TYR 5 HE1 TYR 5 -4.418 -8.311 -5.305
36 HE2 TYR 5 HE2 TYR 5 -7.262 -5.777 -7.300
37 HH TYR 5 HH TYR 5 -7.668 -7.913 -6.749
38 H GLY 6 H GLY 6 -3.397 -0.972 -3.840
39 HA2 GLY 6 HA2 GLY 6 -1.187 0.459 -5.109
40 HA3 GLY 6 HA3 GLY 6 -2.404 1.069 -3.914
41 H GLN 7 H GLN 7 -0.387 2.078 -2.938
42 HA GLN 7 HA GLN 7 1.106 0.108 -1.335
43 HB2 GLN 7 HB2 GLN 7 2.247 1.533 -3.063
44 HB3 GLN 7 HB3 GLN 7 1.768 2.979 -2.177
45 HG2 GLN 7 HG2 GLN 7 3.230 2.497 -0.311
46 HG3 GLN 7 HG3 GLN 7 3.142 0.743 -0.641
47 HE21 GLN 7 HE21 GLN 7 5.391 0.784 -0.363
48 HE22 GLN 7 HE22 GLN 7 6.400 1.006 -1.804
49 H CYS 8 H CYS 8 0.672 0.083 0.892
50 HA CYS 8 HA CYS 8 -0.353 2.614 2.125
51 HB2 CYS 8 HB2 CYS 8 -0.851 1.060 4.109
52 HB3 CYS 8 HB3 CYS 8 -1.782 0.833 2.624
53 H GLY 9 H GLY 9 2.501 0.864 1.654
54 HA2 GLY 9 HA2 GLY 9 3.928 2.489 3.556
55 HA3 GLY 9 HA3 GLY 9 3.815 0.724 3.977
56 H GLY 10 H GLY 10 6.296 2.261 3.164
57 HA2 GLY 10 HA2 GLY 10 7.242 0.274 1.376
58 HA3 GLY 10 HA3 GLY 10 7.012 1.894 0.571
59 H ILE 11 H ILE 11 9.556 0.899 0.733
60 HA ILE 11 HA ILE 11 10.900 2.068 2.958
61 HB ILE 11 HB ILE 11 11.629 0.961 0.286
62 HG12 ILE 11 HG12 ILE 11 11.377 -0.181 2.728
63 HG13 ILE 11 HG13 ILE 11 12.578 -0.730 1.532
64 HG21 ILE 11 HG21 ILE 11 14.081 1.607 0.712
65 HG22 ILE 11 HG22 ILE 11 13.498 2.801 1.916
66 HG23 ILE 11 HG23 ILE 11 13.029 2.955 0.182
67 HD11 ILE 11 HD11 ILE 11 13.500 -0.516 3.873
68 HD12 ILE 11 HD12 ILE 11 13.297 1.274 3.754
69 HD13 ILE 11 HD13 ILE 11 14.411 0.398 2.632
70 H GLY 12 H GLY 12 9.819 3.375 -0.119
71 HA2 GLY 12 HA2 GLY 12 10.556 6.103 0.776
72 HA3 GLY 12 HA3 GLY 12 10.910 5.499 -0.888
73 H TYR 13 H TYR 13 8.081 5.021 1.254
74 HA TYR 13 HA TYR 13 6.454 6.020 -0.985
75 HB2 TYR 13 HB2 TYR 13 5.937 3.684 -0.065
76 HB3 TYR 13 HB3 TYR 13 5.457 4.474 1.490
77 HD1 TYR 13 HD2 TYR 13 5.043 4.955 -2.228
78 HD2 TYR 13 HD1 TYR 13 3.105 4.902 1.622
79 HE1 TYR 13 HE2 TYR 13 2.891 5.473 -3.311
80 HE2 TYR 13 HE1 TYR 13 0.952 5.304 0.526
81 HH TYR 13 HH TYR 13 -0.112 5.337 -1.621
82 H SER 14 H SER 14 4.926 7.639 -0.738
83 HA SER 14 HA SER 14 4.979 9.104 1.852
84 HB2 SER 14 HB2 SER 14 4.904 10.574 -0.834
85 HB3 SER 14 HB3 SER 14 5.421 11.190 0.809
86 H GLY 15 H GLY 15 2.950 7.507 -0.181
87 HA2 GLY 15 HA2 GLY 15 0.825 9.531 -0.237
88 HA3 GLY 15 HA3 GLY 15 0.797 7.860 -0.887
89 HA PRO 16 HA PRO 16 -1.712 8.164 3.040
90 HB2 PRO 16 HB2 PRO 16 -3.199 6.127 1.309
91 HB3 PRO 16 HB3 PRO 16 -3.909 7.355 2.422
92 HG2 PRO 16 HG2 PRO 16 -3.741 7.655 -0.373
93 HG3 PRO 16 HG3 PRO 16 -3.704 9.071 0.751
94 HD2 PRO 16 HD2 PRO 16 -1.495 7.848 -0.862
95 HD3 PRO 16 HD3 PRO 16 -1.592 9.493 -0.112
96 H THR 17 H THR 17 -1.448 6.929 4.855
97 HA THR 17 HA THR 17 0.053 4.456 4.509
98 HB THR 17 HB THR 17 0.995 6.149 5.917
99 HG1 THR 17 HG1 THR 17 0.281 3.709 6.902
100 HG21 THR 17 HG21 THR 17 -0.181 6.784 8.077
101 HG22 THR 17 HG22 THR 17 -1.669 5.964 7.501
102 HG23 THR 17 HG23 THR 17 -1.011 7.407 6.622
103 H VAL 18 H VAL 18 -2.997 4.695 4.150
104 HA VAL 18 HA VAL 18 -3.780 2.565 6.082
105 HB VAL 18 HB VAL 18 -5.651 4.774 5.071
106 HG11 VAL 18 HG11 VAL 18 -7.311 3.789 6.442
107 HG12 VAL 18 HG12 VAL 18 -6.116 3.032 7.545
108 HG13 VAL 18 HG13 VAL 18 -6.463 2.295 5.953
109 HG21 VAL 18 HG21 VAL 18 -3.950 4.535 7.614
110 HG22 VAL 18 HG22 VAL 18 -5.502 5.438 7.626
111 HG23 VAL 18 HG23 VAL 18 -4.163 5.964 6.538
112 H CYS 19 H CYS 19 -4.730 0.765 5.070
113 HA CYS 19 HA CYS 19 -5.120 0.937 2.179
114 HB2 CYS 19 HB2 CYS 19 -5.223 -1.293 4.259
115 HB3 CYS 19 HB3 CYS 19 -5.821 -1.595 2.616
116 H ALA 20 H ALA 20 -6.993 0.600 1.070
117 HA ALA 20 HA ALA 20 -9.265 1.875 1.874
118 HB1 ALA 20 HB1 ALA 20 -10.317 0.925 -0.114
119 HB2 ALA 20 HB2 ALA 20 -9.407 -0.604 0.050
120 HB3 ALA 20 HB3 ALA 20 -8.566 0.856 -0.530
121 H SER 21 H SER 21 -11.379 1.345 2.689
122 HA SER 21 HA SER 21 -11.224 -0.473 4.760
123 HB2 SER 21 HB2 SER 21 -13.933 0.354 3.635
124 HB3 SER 21 HB3 SER 21 -13.319 0.410 5.325
125 HG SER 21 HG SER 21 -12.382 2.328 4.891
126 H GLY 22 H GLY 22 -11.618 -1.135 1.524
127 HA2 GLY 22 HA2 GLY 22 -12.882 -3.785 1.927
128 HA3 GLY 22 HA3 GLY 22 -12.648 -2.914 0.368
129 H THR 23 H THR 23 -9.849 -2.490 2.099
130 HA THR 23 HA THR 23 -8.570 -4.843 0.918
131 HB THR 23 HB THR 23 -6.620 -3.512 0.182
132 HG1 THR 23 HG1 THR 23 -7.944 -1.633 1.571
133 HG21 THR 23 HG21 THR 23 -7.715 -1.945 -1.578
134 HG22 THR 23 HG22 THR 23 -9.294 -2.608 -1.023
135 HG23 THR 23 HG23 THR 23 -8.042 -3.710 -1.697
136 H THR 24 H THR 24 -6.425 -5.227 1.939
137 HA THR 24 HA THR 24 -6.171 -4.058 4.684
138 HB THR 24 HB THR 24 -6.082 -6.907 3.647
139 HG1 THR 24 HG1 THR 24 -7.989 -6.081 4.478
140 HG21 THR 24 HG21 THR 24 -5.373 -7.496 6.079
141 HG22 THR 24 HG22 THR 24 -4.852 -5.785 6.270
142 HG23 THR 24 HG23 THR 24 -4.064 -6.845 5.048
143 H CYS 25 H CYS 25 -4.128 -3.415 5.426
144 HA CYS 25 HA CYS 25 -2.069 -3.255 3.401
145 HB2 CYS 25 HB2 CYS 25 -2.488 -1.396 5.145
146 HB3 CYS 25 HB3 CYS 25 -1.817 -2.500 6.368
147 H GLN 26 H GLN 26 -0.572 -4.700 2.915
148 HA GLN 26 HA GLN 26 0.465 -6.370 5.103
149 HB2 GLN 26 HB2 GLN 26 -0.332 -7.586 2.402
150 HB3 GLN 26 HB3 GLN 26 0.191 -8.458 3.876
151 HG2 GLN 26 HG2 GLN 26 -1.951 -7.883 5.026
152 HG3 GLN 26 HG3 GLN 26 -2.434 -6.850 3.635
153 HE21 GLN 26 HE21 GLN 26 -4.349 -8.021 3.302
154 HE22 GLN 26 HE22 GLN 26 -4.315 -9.582 2.540
155 H VAL 27 H VAL 27 2.398 -7.635 4.301
156 HA VAL 27 HA VAL 27 4.076 -5.779 2.785
157 HB VAL 27 HB VAL 27 4.684 -8.150 4.580
158 HG11 VAL 27 HG11 VAL 27 6.389 -8.358 2.925
159 HG12 VAL 27 HG12 VAL 27 7.142 -7.283 4.153
160 HG13 VAL 27 HG13 VAL 27 6.485 -6.573 2.640
161 HG21 VAL 27 HG21 VAL 27 5.886 -6.239 5.833
162 HG22 VAL 27 HG22 VAL 27 4.095 -6.099 5.798
163 HG23 VAL 27 HG23 VAL 27 5.098 -5.077 4.706
164 H LEU 28 H LEU 28 4.494 -6.059 0.671
165 HA LEU 28 HA LEU 28 4.190 -8.780 -0.462
166 HB2 LEU 28 HB2 LEU 28 2.800 -7.257 -1.566
167 HB3 LEU 28 HB3 LEU 28 3.984 -5.924 -1.501
168 HG LEU 28 HG LEU 28 5.250 -6.820 -3.359
169 HD11 LEU 28 HD11 LEU 28 4.215 -9.432 -2.610
170 HD12 LEU 28 HD12 LEU 28 5.563 -8.960 -3.698
171 HD13 LEU 28 HD13 LEU 28 3.901 -9.114 -4.353
172 HD21 LEU 28 HD21 LEU 28 2.376 -6.295 -3.600
173 HD22 LEU 28 HD22 LEU 28 2.939 -7.382 -4.904
174 HD23 LEU 28 HD23 LEU 28 3.750 -5.811 -4.668
175 H ASN 29 H ASN 29 6.536 -6.467 0.623
176 HA ASN 29 HA ASN 29 8.772 -7.973 -0.020
177 HB2 ASN 29 HB2 ASN 29 9.668 -5.950 -1.774
178 HB3 ASN 29 HB3 ASN 29 9.112 -7.580 -2.256
179 HD21 ASN 29 HD21 ASN 29 6.695 -5.210 -1.152
180 HD22 ASN 29 HD22 ASN 29 6.078 -4.985 -2.768
181 HA PRO 30 HA PRO 30 10.111 -5.036 2.877
182 HB2 PRO 30 HB2 PRO 30 12.924 -4.925 2.512
183 HB3 PRO 30 HB3 PRO 30 12.045 -6.319 3.230
184 HG2 PRO 30 HG2 PRO 30 13.185 -6.047 0.429
185 HG3 PRO 30 HG3 PRO 30 13.020 -7.515 1.462
186 HD2 PRO 30 HD2 PRO 30 11.296 -6.725 -0.654
187 HD3 PRO 30 HD3 PRO 30 10.886 -7.957 0.621
188 H TYR 31 H TYR 31 9.989 -4.065 -0.259
189 HA TYR 31 HA TYR 31 10.725 -1.290 0.444
190 HB2 TYR 31 HB2 TYR 31 11.300 -2.840 -2.165
191 HB3 TYR 31 HB3 TYR 31 11.302 -1.041 -2.100
192 HD1 TYR 31 HD2 TYR 31 12.913 -4.083 -0.566
193 HD2 TYR 31 HD1 TYR 31 13.169 0.138 -1.289
194 HE1 TYR 31 HE2 TYR 31 15.169 -4.044 0.466
195 HE2 TYR 31 HE1 TYR 31 15.437 0.162 -0.288
196 HH TYR 31 HH TYR 31 17.261 -2.560 0.296
197 H TYR 32 H TYR 32 8.167 -3.289 -0.024
198 HA TYR 32 HA TYR 32 6.502 -1.139 -0.776
199 HB2 TYR 32 HB2 TYR 32 7.179 -1.391 -2.991
200 HB3 TYR 32 HB3 TYR 32 7.114 -3.117 -3.011
201 HD1 TYR 32 HD1 TYR 32 4.712 -4.311 -3.077
202 HD2 TYR 32 HD2 TYR 32 5.415 -0.102 -3.547
203 HE1 TYR 32 HE1 TYR 32 2.494 -4.035 -4.074
204 HE2 TYR 32 HE2 TYR 32 3.119 0.175 -4.407
205 HH TYR 32 HH TYR 32 0.805 -1.405 -4.065
206 H SER 33 H SER 33 4.717 -1.180 0.456
207 HA SER 33 HA SER 33 3.715 -3.837 1.295
208 HB2 SER 33 HB2 SER 33 3.250 -1.179 2.756
209 HB3 SER 33 HB3 SER 33 2.846 -2.823 3.326
210 HG SER 33 HG SER 33 5.164 -3.205 3.326
211 H GLN 34 H GLN 34 1.733 -4.298 0.557
212 HA GLN 34 HA GLN 34 0.430 -2.132 -0.919
213 HB2 GLN 34 HB2 GLN 34 0.822 -3.253 -2.729
214 HB3 GLN 34 HB3 GLN 34 1.501 -4.648 -1.832
215 HG2 GLN 34 HG2 GLN 34 -0.778 -5.627 -1.641
216 HG3 GLN 34 HG3 GLN 34 -1.494 -4.250 -2.553
217 HE21 GLN 34 HE21 GLN 34 -0.050 -3.853 -4.804
218 HE22 GLN 34 HE22 GLN 34 0.072 -5.359 -5.670
219 H CYS 35 H CYS 35 -1.799 -2.303 -1.323
220 HA CYS 35 HA CYS 35 -3.268 -3.236 1.051
221 HB2 CYS 35 HB2 CYS 35 -3.914 -1.374 -1.314
222 HB3 CYS 35 HB3 CYS 35 -5.110 -1.750 -0.034
223 H LEU 36 H LEU 36 -4.358 -5.117 1.007
224 HA LEU 36 HA LEU 36 -5.189 -6.141 -1.622
225 HB2 LEU 36 HB2 LEU 36 -4.671 -7.572 1.025
226 HB3 LEU 36 HB3 LEU 36 -5.137 -8.356 -0.514
227 HG LEU 36 HG LEU 36 -2.835 -8.750 -0.289
228 HD11 LEU 36 HD11 LEU 36 -2.942 -6.250 -2.099
229 HD12 LEU 36 HD12 LEU 36 -3.669 -7.827 -2.562
230 HD13 LEU 36 HD13 LEU 36 -1.893 -7.705 -2.271
231 HD21 LEU 36 HD21 LEU 36 -2.501 -6.851 1.475
232 HD22 LEU 36 HD22 LEU 36 -2.108 -5.799 0.104
233 HD23 LEU 36 HD23 LEU 36 -1.110 -7.254 0.395
234 H1 MAN 101 H1 MAN 37 -9.407 3.026 0.349
235 H2 MAN 101 H2 MAN 37 -7.474 4.000 -0.748
236 H3 MAN 101 H3 MAN 37 -7.989 6.307 -0.246
237 H4 MAN 101 H4 MAN 37 -10.088 6.092 -2.408
238 H5 MAN 101 H5 MAN 37 -10.451 6.474 0.627
239 H61 MAN 101 H61 MAN 37 -12.395 5.791 -1.642
240 H62 MAN 101 H62 MAN 37 -12.256 7.370 -0.778
241 HO2 MAN 101 HO2 MAN 37 -8.486 2.788 -2.163
242 HO3 MAN 101 HO3 MAN 37 -6.808 6.883 -1.940
243 HO4 MAN 101 HO4 MAN 37 -9.289 8.144 -2.249
244 HO6 MAN 101 HO6 MAN 37 -12.948 4.835 0.387
245 H1 MAN 102 H1 MAN 38 -6.815 3.930 -6.944
246 H2 MAN 102 H2 MAN 38 -5.381 1.968 -7.546
247 H3 MAN 102 H3 MAN 38 -3.649 2.422 -5.834
248 H4 MAN 102 H4 MAN 38 -2.820 4.703 -7.687
249 H5 MAN 102 H5 MAN 38 -3.941 4.836 -4.833
250 H61 MAN 102 H61 MAN 38 -3.436 7.013 -6.926
251 H62 MAN 102 H62 MAN 38 -2.353 6.652 -5.528
252 HO2 MAN 102 HO2 MAN 38 -4.240 2.965 -9.290
253 HO3 MAN 102 HO3 MAN 38 -2.507 1.192 -7.130
254 HO4 MAN 102 HO4 MAN 38 -1.065 3.813 -6.696
255 HO6 MAN 102 HO6 MAN 38 -4.074 8.385 -5.290
256 H1 MAN 103 H1 MAN 39 7.714 11.720 0.428
257 H2 MAN 103 H2 MAN 39 6.029 12.314 -1.333
258 H3 MAN 103 H3 MAN 39 6.313 10.238 -2.649
259 H4 MAN 103 H4 MAN 39 8.994 11.456 -3.444
260 H5 MAN 103 H5 MAN 39 8.323 8.909 -1.856
261 H61 MAN 103 H61 MAN 39 10.984 10.281 -2.536
262 H62 MAN 103 H62 MAN 39 10.407 8.696 -3.166
263 HO2 MAN 103 HO2 MAN 39 7.364 13.698 -2.482
264 HO3 MAN 103 HO3 MAN 39 5.441 11.488 -4.116
265 HO4 MAN 103 HO4 MAN 39 7.595 9.138 -4.378
266 HO6 MAN 103 HO6 MAN 39 10.704 9.265 -0.384
Start of MODEL 8
1 H1 THR 1 H1 THR 1 -8.816 6.701 2.021
2 H2 THR 1 H2 THR 1 -7.572 7.602 1.286
3 H3 THR 1 H3 THR 1 -7.639 7.472 2.989
4 HA THR 1 HA THR 1 -6.397 5.606 2.840
5 HB THR 1 HB THR 1 -7.500 3.614 1.345
6 HG21 THR 1 HG21 THR 1 -8.734 4.929 3.878
7 HG22 THR 1 HG22 THR 1 -7.463 3.684 3.784
8 HG23 THR 1 HG23 THR 1 -9.127 3.281 3.286
9 H GLN 2 H GLN 2 -5.361 3.838 1.025
10 HA GLN 2 HA GLN 2 -4.361 5.518 -1.162
11 HB2 GLN 2 HB2 GLN 2 -2.797 4.137 0.337
12 HB3 GLN 2 HB3 GLN 2 -3.503 2.658 -0.268
13 HG2 GLN 2 HG2 GLN 2 -1.624 3.015 -1.782
14 HG3 GLN 2 HG3 GLN 2 -2.941 3.639 -2.772
15 HE21 GLN 2 HE21 GLN 2 -0.597 4.677 -0.301
16 HE22 GLN 2 HE22 GLN 2 -0.658 6.370 -0.694
17 H SER 3 H SER 3 -4.822 1.932 -1.280
18 HA SER 3 HA SER 3 -6.941 2.082 -3.058
19 HB2 SER 3 HB2 SER 3 -5.157 2.947 -4.728
20 HB3 SER 3 HB3 SER 3 -4.232 1.440 -4.415
21 H HIS 4 H HIS 4 -6.553 -0.287 -4.440
22 HA HIS 4 HA HIS 4 -6.135 -2.360 -2.388
23 HB2 HIS 4 HB2 HIS 4 -8.597 -2.278 -3.287
24 HB3 HIS 4 HB3 HIS 4 -7.945 -2.543 -4.929
25 HD1 HIS 4 HD1 HIS 4 -9.663 -4.709 -4.449
26 HD2 HIS 4 HD2 HIS 4 -6.036 -4.742 -2.342
27 HE1 HIS 4 HE1 HIS 4 -9.287 -7.093 -3.626
28 HE2 HIS 4 HE2 HIS 4 -7.247 -6.919 -2.100
29 H TYR 5 H TYR 5 -4.297 -3.234 -2.878
30 HA TYR 5 HA TYR 5 -2.591 -4.031 -3.887
31 HB2 TYR 5 HB2 TYR 5 -3.665 -3.426 -6.690
32 HB3 TYR 5 HB3 TYR 5 -2.411 -4.626 -6.238
33 HD1 TYR 5 HD1 TYR 5 -3.270 -6.354 -4.293
34 HD2 TYR 5 HD2 TYR 5 -5.728 -4.260 -7.124
35 HE1 TYR 5 HE1 TYR 5 -5.013 -8.111 -4.084
36 HE2 TYR 5 HE2 TYR 5 -7.461 -6.008 -6.929
37 HH TYR 5 HH TYR 5 -7.719 -8.288 -6.272
38 H GLY 6 H GLY 6 -3.396 -0.930 -3.846
39 HA2 GLY 6 HA2 GLY 6 -0.966 0.089 -5.175
40 HA3 GLY 6 HA3 GLY 6 -2.205 1.044 -4.290
41 H GLN 7 H GLN 7 0.093 1.919 -3.558
42 HA GLN 7 HA GLN 7 1.326 0.146 -1.647
43 HB2 GLN 7 HB2 GLN 7 2.476 1.503 -3.445
44 HB3 GLN 7 HB3 GLN 7 2.074 2.980 -2.571
45 HG2 GLN 7 HG2 GLN 7 3.537 2.469 -0.732
46 HG3 GLN 7 HG3 GLN 7 3.371 0.710 -1.013
47 HE21 GLN 7 HE21 GLN 7 5.644 0.753 -0.710
48 HE22 GLN 7 HE22 GLN 7 6.651 0.858 -2.167
49 H CYS 8 H CYS 8 0.909 0.238 0.598
50 HA CYS 8 HA CYS 8 -0.067 2.860 1.690
51 HB2 CYS 8 HB2 CYS 8 -1.488 1.466 2.670
52 HB3 CYS 8 HB3 CYS 8 -0.452 0.013 2.430
53 H GLY 9 H GLY 9 2.786 0.985 1.302
54 HA2 GLY 9 HA2 GLY 9 4.291 2.803 2.997
55 HA3 GLY 9 HA3 GLY 9 4.115 1.094 3.588
56 H GLY 10 H GLY 10 6.641 2.421 2.676
57 HA2 GLY 10 HA2 GLY 10 7.503 0.266 1.044
58 HA3 GLY 10 HA3 GLY 10 7.355 1.835 0.126
59 H ILE 11 H ILE 11 9.849 0.785 0.359
60 HA ILE 11 HA ILE 11 11.210 1.994 2.559
61 HB ILE 11 HB ILE 11 11.934 0.728 -0.048
62 HG12 ILE 11 HG12 ILE 11 11.517 -0.277 2.421
63 HG13 ILE 11 HG13 ILE 11 12.722 -0.977 1.310
64 HG21 ILE 11 HG21 ILE 11 13.871 2.501 1.575
65 HG22 ILE 11 HG22 ILE 11 13.468 2.619 -0.177
66 HG23 ILE 11 HG23 ILE 11 14.410 1.221 0.434
67 HD11 ILE 11 HD11 ILE 11 13.558 -0.716 3.673
68 HD12 ILE 11 HD12 ILE 11 13.440 1.075 3.496
69 HD13 ILE 11 HD13 ILE 11 14.580 0.126 2.463
70 H GLY 12 H GLY 12 10.176 3.194 -0.557
71 HA2 GLY 12 HA2 GLY 12 11.093 5.911 0.176
72 HA3 GLY 12 HA3 GLY 12 11.376 5.206 -1.463
73 H TYR 13 H TYR 13 8.497 4.674 0.555
74 HA TYR 13 HA TYR 13 6.967 5.824 -1.671
75 HB2 TYR 13 HB2 TYR 13 6.335 3.536 -0.825
76 HB3 TYR 13 HB3 TYR 13 5.925 4.274 0.778
77 HD1 TYR 13 HD1 TYR 13 5.410 4.806 -2.905
78 HD2 TYR 13 HD2 TYR 13 3.631 4.922 1.018
79 HE1 TYR 13 HE1 TYR 13 3.258 5.464 -3.908
80 HE2 TYR 13 HE2 TYR 13 1.476 5.514 0.013
81 HH TYR 13 HH TYR 13 0.336 5.518 -2.169
82 H SER 14 H SER 14 5.767 7.667 -1.538
83 HA SER 14 HA SER 14 5.615 8.998 1.101
84 HB2 SER 14 HB2 SER 14 6.104 10.726 -1.353
85 HB3 SER 14 HB3 SER 14 6.584 10.969 0.390
86 H GLY 15 H GLY 15 3.388 7.802 0.682
87 HA2 GLY 15 HA2 GLY 15 1.575 9.888 -0.267
88 HA3 GLY 15 HA3 GLY 15 1.531 8.268 -1.080
89 HA PRO 16 HA PRO 16 -1.420 8.403 2.519
90 HB2 PRO 16 HB2 PRO 16 -2.774 6.461 0.586
91 HB3 PRO 16 HB3 PRO 16 -3.546 7.707 1.620
92 HG2 PRO 16 HG2 PRO 16 -3.067 8.035 -1.120
93 HG3 PRO 16 HG3 PRO 16 -3.094 9.424 0.035
94 HD2 PRO 16 HD2 PRO 16 -0.745 8.143 -1.336
95 HD3 PRO 16 HD3 PRO 16 -0.894 9.795 -0.602
96 H THR 17 H THR 17 -1.419 7.081 4.294
97 HA THR 17 HA THR 17 -0.038 4.474 3.990
98 HB THR 17 HB THR 17 1.182 6.286 5.121
99 HG1 THR 17 HG1 THR 17 1.263 4.983 7.233
100 HG21 THR 17 HG21 THR 17 -0.641 6.019 7.571
101 HG22 THR 17 HG22 THR 17 -1.213 7.085 6.252
102 HG23 THR 17 HG23 THR 17 0.377 7.405 7.016
103 H VAL 18 H VAL 18 -2.952 5.097 3.782
104 HA VAL 18 HA VAL 18 -3.870 3.216 5.909
105 HB VAL 18 HB VAL 18 -5.512 5.528 4.763
106 HG11 VAL 18 HG11 VAL 18 -6.184 3.853 7.248
107 HG12 VAL 18 HG12 VAL 18 -6.604 3.176 5.653
108 HG13 VAL 18 HG13 VAL 18 -7.289 4.756 6.160
109 HG21 VAL 18 HG21 VAL 18 -3.960 6.602 6.237
110 HG22 VAL 18 HG22 VAL 18 -3.868 5.172 7.325
111 HG23 VAL 18 HG23 VAL 18 -5.337 6.207 7.336
112 H CYS 19 H CYS 19 -4.204 1.328 4.857
113 HA CYS 19 HA CYS 19 -4.864 1.265 2.088
114 HB2 CYS 19 HB2 CYS 19 -4.896 -0.769 4.345
115 HB3 CYS 19 HB3 CYS 19 -5.427 -1.234 2.720
116 H ALA 20 H ALA 20 -6.714 0.727 1.042
117 HA ALA 20 HA ALA 20 -8.975 2.159 1.537
118 HB1 ALA 20 HB1 ALA 20 -9.186 -0.533 0.139
119 HB2 ALA 20 HB2 ALA 20 -8.136 0.709 -0.599
120 HB3 ALA 20 HB3 ALA 20 -9.904 1.017 -0.370
121 H SER 21 H SER 21 -11.205 1.776 2.259
122 HA SER 21 HA SER 21 -11.161 0.461 4.705
123 HB2 SER 21 HB2 SER 21 -13.840 0.790 4.180
124 HB3 SER 21 HB3 SER 21 -12.731 2.125 4.656
125 HG SER 21 HG SER 21 -13.994 2.533 2.704
126 H GLY 22 H GLY 22 -11.518 -0.906 1.627
127 HA2 GLY 22 HA2 GLY 22 -12.586 -3.450 2.710
128 HA3 GLY 22 HA3 GLY 22 -12.399 -2.986 0.983
129 H THR 23 H THR 23 -9.605 -2.064 2.608
130 HA THR 23 HA THR 23 -8.238 -4.557 1.910
131 HB THR 23 HB THR 23 -6.413 -3.376 0.777
132 HG1 THR 23 HG1 THR 23 -7.612 -1.287 1.881
133 HG21 THR 23 HG21 THR 23 -7.782 -2.064 -1.110
134 HG22 THR 23 HG22 THR 23 -9.196 -2.887 -0.373
135 HG23 THR 23 HG23 THR 23 -7.818 -3.863 -0.973
136 H THR 24 H THR 24 -6.092 -4.699 2.874
137 HA THR 24 HA THR 24 -5.640 -2.857 5.191
138 HB THR 24 HB THR 24 -5.973 -5.828 5.016
139 HG1 THR 24 HG1 THR 24 -6.472 -4.944 7.369
140 HG21 THR 24 HG21 THR 24 -4.157 -4.453 7.136
141 HG22 THR 24 HG22 THR 24 -3.630 -5.693 5.939
142 HG23 THR 24 HG23 THR 24 -4.789 -6.141 7.227
143 H CYS 25 H CYS 25 -3.480 -2.463 5.907
144 HA CYS 25 HA CYS 25 -1.529 -2.549 3.807
145 HB2 CYS 25 HB2 CYS 25 -1.158 -1.967 6.800
146 HB3 CYS 25 HB3 CYS 25 0.082 -1.684 5.542
147 H GLN 26 H GLN 26 -0.367 -4.289 3.152
148 HA GLN 26 HA GLN 26 0.689 -6.011 5.302
149 HB2 GLN 26 HB2 GLN 26 -0.394 -7.207 2.702
150 HB3 GLN 26 HB3 GLN 26 0.108 -8.063 4.184
151 HG2 GLN 26 HG2 GLN 26 -1.885 -7.072 5.410
152 HG3 GLN 26 HG3 GLN 26 -2.387 -6.250 3.884
153 HE21 GLN 26 HE21 GLN 26 -4.259 -7.780 4.966
154 HE22 GLN 26 HE22 GLN 26 -4.467 -9.210 3.997
155 H VAL 27 H VAL 27 2.586 -7.228 4.611
156 HA VAL 27 HA VAL 27 4.183 -5.559 2.821
157 HB VAL 27 HB VAL 27 4.830 -7.696 4.864
158 HG11 VAL 27 HG11 VAL 27 6.630 -6.379 2.732
159 HG12 VAL 27 HG12 VAL 27 6.450 -8.140 3.107
160 HG13 VAL 27 HG13 VAL 27 7.289 -7.047 4.263
161 HG21 VAL 27 HG21 VAL 27 5.688 -4.728 4.573
162 HG22 VAL 27 HG22 VAL 27 5.931 -5.804 5.995
163 HG23 VAL 27 HG23 VAL 27 4.275 -5.258 5.561
164 H LEU 28 H LEU 28 4.453 -6.046 0.717
165 HA LEU 28 HA LEU 28 4.163 -8.874 -0.111
166 HB2 LEU 28 HB2 LEU 28 2.736 -7.472 -1.346
167 HB3 LEU 28 HB3 LEU 28 3.921 -6.141 -1.432
168 HG LEU 28 HG LEU 28 5.199 -7.251 -3.166
169 HD11 LEU 28 HD11 LEU 28 4.415 -9.721 -2.174
170 HD12 LEU 28 HD12 LEU 28 5.289 -9.384 -3.700
171 HD13 LEU 28 HD13 LEU 28 3.499 -9.612 -3.712
172 HD21 LEU 28 HD21 LEU 28 2.412 -6.519 -3.463
173 HD22 LEU 28 HD22 LEU 28 2.761 -7.863 -4.591
174 HD23 LEU 28 HD23 LEU 28 3.760 -6.378 -4.657
175 H ASN 29 H ASN 29 6.505 -6.494 0.728
176 HA ASN 29 HA ASN 29 8.743 -8.019 0.138
177 HB2 ASN 29 HB2 ASN 29 9.568 -6.023 -1.716
178 HB3 ASN 29 HB3 ASN 29 9.122 -7.711 -2.099
179 HD21 ASN 29 HD21 ASN 29 6.595 -5.366 -1.164
180 HD22 ASN 29 HD22 ASN 29 5.932 -5.340 -2.767
181 HA PRO 30 HA PRO 30 10.075 -4.953 2.878
182 HB2 PRO 30 HB2 PRO 30 12.884 -4.719 2.324
183 HB3 PRO 30 HB3 PRO 30 12.104 -6.007 3.303
184 HG2 PRO 30 HG2 PRO 30 13.196 -6.198 0.512
185 HG3 PRO 30 HG3 PRO 30 12.879 -7.500 1.712
186 HD2 PRO 30 HD2 PRO 30 11.269 -6.743 -0.563
187 HD3 PRO 30 HD3 PRO 30 10.834 -7.955 0.722
188 H TYR 31 H TYR 31 10.236 -4.209 -0.442
189 HA TYR 31 HA TYR 31 10.748 -1.351 0.146
190 HB2 TYR 31 HB2 TYR 31 11.299 -2.970 -2.432
191 HB3 TYR 31 HB3 TYR 31 11.467 -1.182 -2.297
192 HD1 TYR 31 HD2 TYR 31 12.702 -4.419 -0.818
193 HD2 TYR 31 HD1 TYR 31 13.492 -0.253 -1.476
194 HE1 TYR 31 HE2 TYR 31 14.915 -4.662 0.281
195 HE2 TYR 31 HE1 TYR 31 15.717 -0.515 -0.426
196 HH TYR 31 HH TYR 31 17.231 -2.000 0.429
197 H TYR 32 H TYR 32 8.210 -3.367 -0.182
198 HA TYR 32 HA TYR 32 6.557 -1.285 -1.145
199 HB2 TYR 32 HB2 TYR 32 7.188 -1.763 -3.322
200 HB3 TYR 32 HB3 TYR 32 7.123 -3.481 -3.175
201 HD1 TYR 32 HD2 TYR 32 5.379 -0.452 -3.646
202 HD2 TYR 32 HD1 TYR 32 4.766 -4.683 -3.463
203 HE1 TYR 32 HE2 TYR 32 3.073 -0.157 -4.465
204 HE2 TYR 32 HE1 TYR 32 2.503 -4.389 -4.366
205 HH TYR 32 HH TYR 32 1.204 -2.657 -5.627
206 H SER 33 H SER 33 4.967 -1.128 0.304
207 HA SER 33 HA SER 33 3.892 -3.644 1.413
208 HB2 SER 33 HB2 SER 33 3.335 -0.841 2.500
209 HB3 SER 33 HB3 SER 33 3.029 -2.412 3.283
210 HG SER 33 HG SER 33 5.278 -2.629 3.531
211 H GLN 34 H GLN 34 2.006 -4.241 0.621
212 HA GLN 34 HA GLN 34 0.699 -2.400 -1.247
213 HB2 GLN 34 HB2 GLN 34 1.658 -4.501 -2.091
214 HB3 GLN 34 HB3 GLN 34 0.677 -5.459 -0.941
215 HG2 GLN 34 HG2 GLN 34 -1.418 -4.757 -2.070
216 HG3 GLN 34 HG3 GLN 34 -0.507 -3.566 -3.079
217 HE21 GLN 34 HE21 GLN 34 -0.321 -4.323 -5.152
218 HE22 GLN 34 HE22 GLN 34 -0.111 -6.018 -5.574
219 H CYS 35 H CYS 35 -1.615 -2.329 -1.249
220 HA CYS 35 HA CYS 35 -2.883 -2.887 1.357
221 HB2 CYS 35 HB2 CYS 35 -3.593 -1.233 -1.145
222 HB3 CYS 35 HB3 CYS 35 -4.758 -1.459 0.218
223 H LEU 36 H LEU 36 -4.034 -4.755 1.623
224 HA LEU 36 HA LEU 36 -5.182 -5.930 -0.834
225 HB2 LEU 36 HB2 LEU 36 -4.152 -7.276 1.721
226 HB3 LEU 36 HB3 LEU 36 -4.896 -8.106 0.322
227 HG LEU 36 HG LEU 36 -2.583 -8.446 0.100
228 HD11 LEU 36 HD11 LEU 36 -3.147 -6.038 -1.758
229 HD12 LEU 36 HD12 LEU 36 -3.937 -7.634 -1.963
230 HD13 LEU 36 HD13 LEU 36 -2.143 -7.490 -2.109
231 HD21 LEU 36 HD21 LEU 36 -1.788 -5.521 0.037
232 HD22 LEU 36 HD22 LEU 36 -0.821 -6.955 0.507
233 HD23 LEU 36 HD23 LEU 36 -2.073 -6.278 1.625
234 H1 MAN 101 H1 MAN 37 -9.354 3.111 -0.063
235 H2 MAN 101 H2 MAN 37 -7.535 4.408 -0.924
236 H3 MAN 101 H3 MAN 37 -8.486 6.622 -0.336
237 H4 MAN 101 H4 MAN 37 -10.361 6.148 -2.675
238 H5 MAN 101 H5 MAN 37 -10.956 6.317 0.337
239 H61 MAN 101 H61 MAN 37 -12.663 5.500 -2.071
240 H62 MAN 101 H62 MAN 37 -12.807 7.031 -1.134
241 HO2 MAN 101 HO2 MAN 37 -9.211 3.185 -2.433
242 HO3 MAN 101 HO3 MAN 37 -7.562 6.128 -2.934
243 HO4 MAN 101 HO4 MAN 37 -9.932 8.313 -2.382
244 HO6 MAN 101 HO6 MAN 37 -13.329 5.672 0.735
245 H1 MAN 102 H1 MAN 38 -6.319 2.791 -6.715
246 H2 MAN 102 H2 MAN 38 -7.622 3.236 -4.646
247 H3 MAN 102 H3 MAN 38 -8.150 0.868 -4.124
248 H4 MAN 102 H4 MAN 38 -10.104 0.941 -6.414
249 H5 MAN 102 H5 MAN 38 -7.474 -0.625 -6.122
250 H61 MAN 102 H61 MAN 38 -9.324 -0.226 -8.532
251 H62 MAN 102 H62 MAN 38 -9.330 -1.668 -7.461
252 HO2 MAN 102 HO2 MAN 38 -8.891 3.055 -7.136
253 HO3 MAN 102 HO3 MAN 38 -10.318 2.605 -4.321
254 HO4 MAN 102 HO4 MAN 38 -10.537 -0.340 -4.492
255 HO6 MAN 102 HO6 MAN 38 -6.804 -0.972 -8.433
256 H1 MAN 103 H1 MAN 39 9.032 11.071 0.153
257 H2 MAN 103 H2 MAN 39 7.523 12.349 -1.401
258 H3 MAN 103 H3 MAN 39 7.387 10.526 -3.097
259 H4 MAN 103 H4 MAN 39 10.231 11.420 -3.729
260 H5 MAN 103 H5 MAN 39 9.115 8.745 -2.706
261 H61 MAN 103 H61 MAN 39 11.955 9.786 -3.247
262 H62 MAN 103 H62 MAN 39 11.114 8.432 -4.093
263 HO2 MAN 103 HO2 MAN 39 9.151 13.650 -1.296
264 HO3 MAN 103 HO3 MAN 39 7.570 11.901 -4.910
265 HO4 MAN 103 HO4 MAN 39 9.894 10.498 -5.591
266 HO6 MAN 103 HO6 MAN 39 11.407 8.364 -1.291
Start of MODEL 9
1 H1 THR 1 H1 THR 1 -8.683 6.609 1.588
2 H2 THR 1 H2 THR 1 -7.445 7.326 0.668
3 H3 THR 1 H3 THR 1 -7.420 7.457 2.367
4 HA THR 1 HA THR 1 -6.313 5.496 2.473
5 HB THR 1 HB THR 1 -7.506 3.404 1.172
6 HG21 THR 1 HG21 THR 1 -9.217 3.392 3.098
7 HG22 THR 1 HG22 THR 1 -8.639 5.030 3.560
8 HG23 THR 1 HG23 THR 1 -7.517 3.649 3.576
9 H GLN 2 H GLN 2 -5.291 3.505 0.814
10 HA GLN 2 HA GLN 2 -4.347 5.009 -1.524
11 HB2 GLN 2 HB2 GLN 2 -2.772 3.776 0.116
12 HB3 GLN 2 HB3 GLN 2 -3.372 2.247 -0.495
13 HG2 GLN 2 HG2 GLN 2 -1.450 2.790 -1.902
14 HG3 GLN 2 HG3 GLN 2 -2.796 3.182 -2.974
15 HE21 GLN 2 HE21 GLN 2 -0.703 4.622 -0.460
16 HE22 GLN 2 HE22 GLN 2 -0.910 6.275 -0.976
17 H SER 3 H SER 3 -4.573 1.389 -1.573
18 HA SER 3 HA SER 3 -6.887 1.397 -3.080
19 HB2 SER 3 HB2 SER 3 -5.370 2.291 -5.016
20 HB3 SER 3 HB3 SER 3 -4.378 0.809 -4.814
21 H HIS 4 H HIS 4 -6.890 -0.949 -4.340
22 HA HIS 4 HA HIS 4 -6.079 -2.919 -2.299
23 HB2 HIS 4 HB2 HIS 4 -8.525 -3.031 -3.184
24 HB3 HIS 4 HB3 HIS 4 -7.866 -3.314 -4.823
25 HD1 HIS 4 HD1 HIS 4 -9.517 -5.544 -3.938
26 HD2 HIS 4 HD2 HIS 4 -5.571 -5.293 -2.537
27 HE1 HIS 4 HE1 HIS 4 -8.853 -7.872 -3.157
28 HE2 HIS 4 HE2 HIS 4 -6.533 -7.620 -2.202
29 H TYR 5 H TYR 5 -4.140 -3.531 -2.695
30 HA TYR 5 HA TYR 5 -2.382 -4.285 -3.624
31 HB2 TYR 5 HB2 TYR 5 -3.460 -3.869 -6.462
32 HB3 TYR 5 HB3 TYR 5 -2.033 -4.844 -5.993
33 HD1 TYR 5 HD1 TYR 5 -2.554 -6.676 -4.055
34 HD2 TYR 5 HD2 TYR 5 -5.438 -5.025 -6.775
35 HE1 TYR 5 HE1 TYR 5 -3.993 -8.668 -3.741
36 HE2 TYR 5 HE2 TYR 5 -6.889 -7.004 -6.441
37 HH TYR 5 HH TYR 5 -6.283 -9.659 -5.619
38 H GLY 6 H GLY 6 -3.449 -1.298 -3.535
39 HA2 GLY 6 HA2 GLY 6 -1.212 0.041 -4.880
40 HA3 GLY 6 HA3 GLY 6 -2.466 0.789 -3.829
41 H GLN 7 H GLN 7 0.029 1.730 -3.455
42 HA GLN 7 HA GLN 7 1.353 0.132 -1.453
43 HB2 GLN 7 HB2 GLN 7 2.433 1.340 -3.356
44 HB3 GLN 7 HB3 GLN 7 1.972 2.903 -2.642
45 HG2 GLN 7 HG2 GLN 7 3.457 2.654 -0.766
46 HG3 GLN 7 HG3 GLN 7 3.399 0.867 -0.886
47 HE21 GLN 7 HE21 GLN 7 5.651 1.027 -0.646
48 HE22 GLN 7 HE22 GLN 7 6.638 1.094 -2.114
49 H CYS 8 H CYS 8 0.927 0.352 0.798
50 HA CYS 8 HA CYS 8 -0.065 3.008 1.755
51 HB2 CYS 8 HB2 CYS 8 -0.314 1.625 3.985
52 HB3 CYS 8 HB3 CYS 8 -1.426 1.372 2.652
53 H GLY 9 H GLY 9 2.804 1.284 1.397
54 HA2 GLY 9 HA2 GLY 9 4.294 3.148 3.001
55 HA3 GLY 9 HA3 GLY 9 4.170 1.472 3.698
56 H GLY 10 H GLY 10 6.649 2.779 2.653
57 HA2 GLY 10 HA2 GLY 10 7.541 0.555 1.114
58 HA3 GLY 10 HA3 GLY 10 7.371 2.095 0.147
59 H ILE 11 H ILE 11 9.915 1.053 0.588
60 HA ILE 11 HA ILE 11 11.190 2.315 2.735
61 HB ILE 11 HB ILE 11 11.966 1.254 0.056
62 HG12 ILE 11 HG12 ILE 11 11.723 0.113 2.496
63 HG13 ILE 11 HG13 ILE 11 12.933 -0.441 1.314
64 HG21 ILE 11 HG21 ILE 11 14.401 1.941 0.472
65 HG22 ILE 11 HG22 ILE 11 13.808 3.110 1.697
66 HG23 ILE 11 HG23 ILE 11 13.324 3.278 -0.032
67 HD11 ILE 11 HD11 ILE 11 13.578 1.595 3.538
68 HD12 ILE 11 HD12 ILE 11 14.743 0.763 2.433
69 HD13 ILE 11 HD13 ILE 11 13.841 -0.185 3.660
70 H GLY 12 H GLY 12 10.134 3.642 -0.339
71 HA2 GLY 12 HA2 GLY 12 10.764 6.355 0.689
72 HA3 GLY 12 HA3 GLY 12 11.085 5.855 -1.014
73 H TYR 13 H TYR 13 8.253 5.183 1.137
74 HA TYR 13 HA TYR 13 6.629 6.392 -1.019
75 HB2 TYR 13 HB2 TYR 13 6.253 3.910 -0.409
76 HB3 TYR 13 HB3 TYR 13 5.574 4.506 1.160
77 HD1 TYR 13 HD2 TYR 13 5.426 4.911 -2.559
78 HD2 TYR 13 HD1 TYR 13 3.275 5.238 1.163
79 HE1 TYR 13 HE2 TYR 13 3.342 5.348 -3.804
80 HE2 TYR 13 HE1 TYR 13 1.209 5.635 -0.076
81 HH TYR 13 HH TYR 13 0.253 5.427 -2.337
82 H SER 14 H SER 14 5.427 8.069 -0.685
83 HA SER 14 HA SER 14 5.203 9.286 2.001
84 HB2 SER 14 HB2 SER 14 5.671 11.486 1.086
85 HB3 SER 14 HB3 SER 14 6.979 10.417 0.465
86 H GLY 15 H GLY 15 3.355 7.782 -0.094
87 HA2 GLY 15 HA2 GLY 15 1.280 9.825 -0.467
88 HA3 GLY 15 HA3 GLY 15 1.380 8.171 -1.173
89 HA PRO 16 HA PRO 16 -1.765 8.361 2.256
90 HB2 PRO 16 HB2 PRO 16 -2.944 6.238 0.402
91 HB3 PRO 16 HB3 PRO 16 -3.808 7.526 1.307
92 HG2 PRO 16 HG2 PRO 16 -3.150 7.632 -1.438
93 HG3 PRO 16 HG3 PRO 16 -3.413 9.101 -0.422
94 HD2 PRO 16 HD2 PRO 16 -0.867 8.048 -1.556
95 HD3 PRO 16 HD3 PRO 16 -1.201 9.661 -0.794
96 H THR 17 H THR 17 -1.644 7.224 4.123
97 HA THR 17 HA THR 17 -0.178 4.674 4.011
98 HB THR 17 HB THR 17 0.718 6.721 5.168
99 HG1 THR 17 HG1 THR 17 1.258 4.484 5.695
100 HG21 THR 17 HG21 THR 17 -1.084 6.095 7.550
101 HG22 THR 17 HG22 THR 17 -1.788 7.115 6.249
102 HG23 THR 17 HG23 THR 17 -0.277 7.627 7.078
103 H VAL 18 H VAL 18 -3.181 5.192 3.731
104 HA VAL 18 HA VAL 18 -4.072 3.320 5.880
105 HB VAL 18 HB VAL 18 -5.781 5.485 4.561
106 HG11 VAL 18 HG11 VAL 18 -7.549 4.732 6.004
107 HG12 VAL 18 HG12 VAL 18 -6.423 3.874 7.107
108 HG13 VAL 18 HG13 VAL 18 -6.828 3.163 5.526
109 HG21 VAL 18 HG21 VAL 18 -4.332 5.301 7.273
110 HG22 VAL 18 HG22 VAL 18 -5.721 6.408 6.998
111 HG23 VAL 18 HG23 VAL 18 -4.199 6.614 6.052
112 H CYS 19 H CYS 19 -4.483 1.378 5.001
113 HA CYS 19 HA CYS 19 -5.032 1.106 2.208
114 HB2 CYS 19 HB2 CYS 19 -5.177 -0.808 4.581
115 HB3 CYS 19 HB3 CYS 19 -5.496 -1.328 2.910
116 H ALA 20 H ALA 20 -6.848 0.529 1.159
117 HA ALA 20 HA ALA 20 -9.120 2.002 1.551
118 HB1 ALA 20 HB1 ALA 20 -8.331 0.622 -0.565
119 HB2 ALA 20 HB2 ALA 20 -10.108 0.669 -0.234
120 HB3 ALA 20 HB3 ALA 20 -9.146 -0.760 0.229
121 H SER 21 H SER 21 -11.260 1.668 2.308
122 HA SER 21 HA SER 21 -11.333 0.374 4.766
123 HB2 SER 21 HB2 SER 21 -12.808 2.131 4.626
124 HB3 SER 21 HB3 SER 21 -13.249 1.751 2.929
125 HG SER 21 HG SER 21 -14.160 0.206 5.146
126 H GLY 22 H GLY 22 -11.396 -1.204 1.832
127 HA2 GLY 22 HA2 GLY 22 -12.428 -3.706 3.035
128 HA3 GLY 22 HA3 GLY 22 -12.354 -3.317 1.284
129 H THR 23 H THR 23 -9.497 -2.238 2.771
130 HA THR 23 HA THR 23 -8.106 -4.710 2.006
131 HB THR 23 HB THR 23 -6.305 -3.489 0.841
132 HG1 THR 23 HG1 THR 23 -7.579 -1.446 1.964
133 HG21 THR 23 HG21 THR 23 -7.776 -4.053 -0.875
134 HG22 THR 23 HG22 THR 23 -7.733 -2.268 -1.043
135 HG23 THR 23 HG23 THR 23 -9.134 -3.066 -0.245
136 H THR 24 H THR 24 -6.002 -4.931 2.982
137 HA THR 24 HA THR 24 -5.501 -3.211 5.383
138 HB THR 24 HB THR 24 -5.273 -6.229 4.990
139 HG1 THR 24 HG1 THR 24 -7.291 -5.556 5.470
140 HG21 THR 24 HG21 THR 24 -4.074 -4.384 7.132
141 HG22 THR 24 HG22 THR 24 -3.499 -5.980 6.511
142 HG23 THR 24 HG23 THR 24 -4.856 -5.889 7.685
143 H CYS 25 H CYS 25 -3.314 -2.647 5.954
144 HA CYS 25 HA CYS 25 -1.479 -2.766 3.741
145 HB2 CYS 25 HB2 CYS 25 -1.693 -0.748 5.381
146 HB3 CYS 25 HB3 CYS 25 -0.827 -1.749 6.567
147 H GLN 26 H GLN 26 0.068 -4.194 3.310
148 HA GLN 26 HA GLN 26 1.262 -5.705 5.513
149 HB2 GLN 26 HB2 GLN 26 0.268 -7.110 2.959
150 HB3 GLN 26 HB3 GLN 26 0.898 -7.862 4.462
151 HG2 GLN 26 HG2 GLN 26 -1.180 -6.988 5.689
152 HG3 GLN 26 HG3 GLN 26 -1.800 -6.386 4.116
153 HE21 GLN 26 HE21 GLN 26 -3.543 -7.747 3.775
154 HE22 GLN 26 HE22 GLN 26 -3.424 -9.490 3.758
155 H VAL 27 H VAL 27 2.964 -7.279 4.165
156 HA VAL 27 HA VAL 27 4.536 -5.314 2.611
157 HB VAL 27 HB VAL 27 5.317 -7.406 4.647
158 HG11 VAL 27 HG11 VAL 27 6.908 -7.880 2.911
159 HG12 VAL 27 HG12 VAL 27 7.739 -6.666 3.949
160 HG13 VAL 27 HG13 VAL 27 7.002 -6.150 2.394
161 HG21 VAL 27 HG21 VAL 27 4.757 -5.121 5.476
162 HG22 VAL 27 HG22 VAL 27 5.821 -4.368 4.234
163 HG23 VAL 27 HG23 VAL 27 6.539 -5.360 5.556
164 H LEU 28 H LEU 28 4.962 -5.739 0.559
165 HA LEU 28 HA LEU 28 4.733 -8.552 -0.360
166 HB2 LEU 28 HB2 LEU 28 3.273 -7.345 -1.697
167 HB3 LEU 28 HB3 LEU 28 4.241 -5.857 -1.601
168 HG LEU 28 HG LEU 28 5.832 -6.656 -3.256
169 HD11 LEU 28 HD11 LEU 28 6.299 -8.820 -3.654
170 HD12 LEU 28 HD12 LEU 28 4.635 -9.141 -4.256
171 HD13 LEU 28 HD13 LEU 28 5.006 -9.326 -2.516
172 HD21 LEU 28 HD21 LEU 28 3.710 -7.506 -5.019
173 HD22 LEU 28 HD22 LEU 28 4.357 -5.859 -4.797
174 HD23 LEU 28 HD23 LEU 28 2.951 -6.424 -3.814
175 H ASN 29 H ASN 29 6.952 -5.743 0.014
176 HA ASN 29 HA ASN 29 9.106 -7.584 -0.145
177 HB2 ASN 29 HB2 ASN 29 10.159 -6.999 -2.192
178 HB3 ASN 29 HB3 ASN 29 8.444 -7.116 -2.643
179 HD21 ASN 29 HD21 ASN 29 8.370 -5.640 -4.398
180 HD22 ASN 29 HD22 ASN 29 8.771 -3.951 -4.186
181 HA PRO 30 HA PRO 30 10.637 -4.720 2.654
182 HB2 PRO 30 HB2 PRO 30 13.328 -4.086 1.531
183 HB3 PRO 30 HB3 PRO 30 12.930 -5.176 2.889
184 HG2 PRO 30 HG2 PRO 30 13.830 -6.021 0.304
185 HG3 PRO 30 HG3 PRO 30 13.028 -7.062 1.545
186 HD2 PRO 30 HD2 PRO 30 11.853 -5.813 -0.948
187 HD3 PRO 30 HD3 PRO 30 11.371 -7.330 -0.058
188 H TYR 31 H TYR 31 10.607 -3.526 -0.590
189 HA TYR 31 HA TYR 31 10.862 -0.729 0.258
190 HB2 TYR 31 HB2 TYR 31 11.473 -2.072 -2.470
191 HB3 TYR 31 HB3 TYR 31 11.550 -0.301 -2.161
192 HD1 TYR 31 HD2 TYR 31 13.015 -3.586 -0.969
193 HD2 TYR 31 HD1 TYR 31 13.618 0.631 -1.493
194 HE1 TYR 31 HE2 TYR 31 15.255 -3.782 0.050
195 HE2 TYR 31 HE1 TYR 31 15.880 0.419 -0.498
196 HH TYR 31 HH TYR 31 17.040 -2.658 0.854
197 H TYR 32 H TYR 32 8.496 -2.860 -0.010
198 HA TYR 32 HA TYR 32 6.609 -0.998 -1.163
199 HB2 TYR 32 HB2 TYR 32 7.584 -2.215 -3.194
200 HB3 TYR 32 HB3 TYR 32 6.994 -3.744 -2.437
201 HD1 TYR 32 HD2 TYR 32 5.779 -0.371 -3.608
202 HD2 TYR 32 HD1 TYR 32 4.926 -4.503 -3.022
203 HE1 TYR 32 HE2 TYR 32 3.543 -0.034 -4.611
204 HE2 TYR 32 HE1 TYR 32 2.705 -4.203 -4.127
205 HH TYR 32 HH TYR 32 1.668 -1.090 -5.400
206 H SER 33 H SER 33 5.170 -0.910 0.458
207 HA SER 33 HA SER 33 4.205 -3.415 1.648
208 HB2 SER 33 HB2 SER 33 3.495 -0.618 2.688
209 HB3 SER 33 HB3 SER 33 3.361 -2.192 3.512
210 HG SER 33 HG SER 33 5.745 -0.790 2.800
211 H GLN 34 H GLN 34 2.330 -4.084 0.858
212 HA GLN 34 HA GLN 34 0.839 -2.296 -0.932
213 HB2 GLN 34 HB2 GLN 34 1.889 -4.186 -1.989
214 HB3 GLN 34 HB3 GLN 34 1.211 -5.333 -0.794
215 HG2 GLN 34 HG2 GLN 34 -1.087 -4.931 -1.634
216 HG3 GLN 34 HG3 GLN 34 -0.492 -3.605 -2.699
217 HE21 GLN 34 HE21 GLN 34 0.113 -4.199 -4.786
218 HE22 GLN 34 HE22 GLN 34 0.241 -5.874 -5.298
219 H CYS 35 H CYS 35 -1.434 -2.301 -0.871
220 HA CYS 35 HA CYS 35 -2.676 -3.025 1.705
221 HB2 CYS 35 HB2 CYS 35 -3.304 -1.361 -0.753
222 HB3 CYS 35 HB3 CYS 35 -4.621 -1.661 0.460
223 H LEU 36 H LEU 36 -3.954 -4.908 1.835
224 HA LEU 36 HA LEU 36 -4.952 -6.019 -0.722
225 HB2 LEU 36 HB2 LEU 36 -4.179 -7.433 1.883
226 HB3 LEU 36 HB3 LEU 36 -4.787 -8.222 0.396
227 HG LEU 36 HG LEU 36 -2.465 -8.614 0.452
228 HD11 LEU 36 HD11 LEU 36 -2.794 -6.215 -1.467
229 HD12 LEU 36 HD12 LEU 36 -3.579 -7.803 -1.732
230 HD13 LEU 36 HD13 LEU 36 -1.774 -7.681 -1.697
231 HD21 LEU 36 HD21 LEU 36 -2.080 -6.425 2.004
232 HD22 LEU 36 HD22 LEU 36 -1.581 -5.714 0.449
233 HD23 LEU 36 HD23 LEU 36 -0.735 -7.171 1.054
234 H1 MAN 101 H1 MAN 37 -9.394 2.858 -0.171
235 H2 MAN 101 H2 MAN 37 -7.444 3.921 -1.076
236 H3 MAN 101 H3 MAN 37 -8.305 6.246 -0.826
237 H4 MAN 101 H4 MAN 37 -10.050 5.586 -3.214
238 H5 MAN 101 H5 MAN 37 -10.795 6.227 -0.300
239 H61 MAN 101 H61 MAN 37 -12.396 5.107 -2.671
240 H62 MAN 101 H62 MAN 37 -12.482 6.787 -2.028
241 HO2 MAN 101 HO2 MAN 37 -7.945 3.658 -3.243
242 HO3 MAN 101 HO3 MAN 37 -7.402 5.691 -3.484
243 HO4 MAN 101 HO4 MAN 37 -9.200 7.763 -2.955
244 HO6 MAN 101 HO6 MAN 37 -12.860 5.106 0.044
245 H1 MAN 102 H1 MAN 38 -6.793 2.045 -6.837
246 H2 MAN 102 H2 MAN 38 -7.711 2.448 -4.585
247 H3 MAN 102 H3 MAN 38 -8.299 0.195 -3.920
248 H4 MAN 102 H4 MAN 38 -10.418 0.152 -6.049
249 H5 MAN 102 H5 MAN 38 -7.745 -1.370 -6.013
250 H61 MAN 102 H61 MAN 38 -9.919 -1.069 -8.143
251 H62 MAN 102 H62 MAN 38 -9.775 -2.482 -7.033
252 HO2 MAN 102 HO2 MAN 38 -9.896 2.937 -5.245
253 HO3 MAN 102 HO3 MAN 38 -9.716 1.046 -2.725
254 HO4 MAN 102 HO4 MAN 38 -11.005 -1.266 -4.541
255 HO6 MAN 102 HO6 MAN 38 -8.594 -2.332 -9.312
256 H1 MAN 103 H1 MAN 39 4.736 9.280 -1.789
257 H2 MAN 103 H2 MAN 39 7.258 9.004 -1.200
258 H3 MAN 103 H3 MAN 39 7.890 11.238 -1.844
259 H4 MAN 103 H4 MAN 39 7.284 10.263 -4.681
260 H5 MAN 103 H5 MAN 39 6.010 12.479 -2.958
261 H61 MAN 103 H61 MAN 39 5.253 11.333 -5.704
262 H62 MAN 103 H62 MAN 39 6.088 12.912 -5.447
263 HO2 MAN 103 HO2 MAN 39 7.687 8.027 -3.303
264 HO3 MAN 103 HO3 MAN 39 9.484 9.565 -1.896
265 HO4 MAN 103 HO4 MAN 39 9.153 11.679 -4.195
266 HO6 MAN 103 HO6 MAN 39 3.631 12.869 -5.633
Start of MODEL 10
1 H1 THR 1 H1 THR 1 -7.604 7.344 1.667
2 H2 THR 1 H2 THR 1 -8.807 6.480 0.827
3 H3 THR 1 H3 THR 1 -7.493 7.149 -0.036
4 HA THR 1 HA THR 1 -6.410 5.412 1.833
5 HB THR 1 HB THR 1 -7.820 3.257 0.850
6 HG21 THR 1 HG21 THR 1 -9.182 3.414 2.941
7 HG22 THR 1 HG22 THR 1 -8.759 5.152 3.131
8 HG23 THR 1 HG23 THR 1 -7.483 3.902 3.223
9 H GLN 2 H GLN 2 -5.719 3.115 0.428
10 HA GLN 2 HA GLN 2 -5.131 4.056 -2.295
11 HB2 GLN 2 HB2 GLN 2 -3.283 2.955 -0.366
12 HB3 GLN 2 HB3 GLN 2 -3.630 1.600 -1.443
13 HG2 GLN 2 HG2 GLN 2 -1.858 2.733 -2.605
14 HG3 GLN 2 HG3 GLN 2 -3.316 3.248 -3.483
15 HE21 GLN 2 HE21 GLN 2 -1.363 4.123 -0.601
16 HE22 GLN 2 HE22 GLN 2 -1.640 5.844 -0.714
17 H SER 3 H SER 3 -5.449 2.435 -3.948
18 HA SER 3 HA SER 3 -7.751 0.900 -3.519
19 HB2 SER 3 HB2 SER 3 -6.033 0.182 -5.894
20 HB3 SER 3 HB3 SER 3 -7.771 0.722 -5.849
21 H HIS 4 H HIS 4 -7.929 -1.482 -4.157
22 HA HIS 4 HA HIS 4 -6.209 -3.085 -2.581
23 HB2 HIS 4 HB2 HIS 4 -8.585 -3.663 -3.509
24 HB3 HIS 4 HB3 HIS 4 -7.766 -4.113 -5.041
25 HD1 HIS 4 HD1 HIS 4 -9.310 -6.233 -3.511
26 HD2 HIS 4 HD2 HIS 4 -5.288 -5.487 -2.578
27 HE1 HIS 4 HE1 HIS 4 -8.413 -8.302 -2.377
28 HE2 HIS 4 HE2 HIS 4 -6.103 -7.695 -1.648
29 H TYR 5 H TYR 5 -4.265 -3.880 -2.918
30 HA TYR 5 HA TYR 5 -2.458 -4.582 -3.806
31 HB2 TYR 5 HB2 TYR 5 -3.547 -4.403 -6.652
32 HB3 TYR 5 HB3 TYR 5 -2.097 -5.306 -6.100
33 HD1 TYR 5 HD1 TYR 5 -2.401 -7.236 -4.425
34 HD2 TYR 5 HD2 TYR 5 -5.673 -5.375 -6.495
35 HE1 TYR 5 HE1 TYR 5 -3.832 -9.196 -3.930
36 HE2 TYR 5 HE2 TYR 5 -7.112 -7.326 -5.980
37 HH TYR 5 HH TYR 5 -6.570 -9.962 -5.422
38 H GLY 6 H GLY 6 -3.499 -1.578 -3.857
39 HA2 GLY 6 HA2 GLY 6 -1.322 -0.350 -5.366
40 HA3 GLY 6 HA3 GLY 6 -2.563 0.442 -4.322
41 H GLN 7 H GLN 7 -0.357 1.616 -3.720
42 HA GLN 7 HA GLN 7 1.193 -0.037 -1.857
43 HB2 GLN 7 HB2 GLN 7 2.208 1.320 -3.733
44 HB3 GLN 7 HB3 GLN 7 1.697 2.807 -2.922
45 HG2 GLN 7 HG2 GLN 7 3.219 2.494 -1.082
46 HG3 GLN 7 HG3 GLN 7 3.198 0.721 -1.282
47 HE21 GLN 7 HE21 GLN 7 5.455 1.039 -0.947
48 HE22 GLN 7 HE22 GLN 7 6.456 1.117 -2.405
49 H CYS 8 H CYS 8 0.884 0.186 0.411
50 HA CYS 8 HA CYS 8 -0.440 2.719 1.308
51 HB2 CYS 8 HB2 CYS 8 -1.685 1.430 2.541
52 HB3 CYS 8 HB3 CYS 8 -0.734 -0.044 2.134
53 H GLY 9 H GLY 9 2.563 1.091 1.126
54 HA2 GLY 9 HA2 GLY 9 3.909 3.156 2.658
55 HA3 GLY 9 HA3 GLY 9 3.825 1.510 3.416
56 H GLY 10 H GLY 10 6.329 2.732 2.545
57 HA2 GLY 10 HA2 GLY 10 7.336 0.570 1.033
58 HA3 GLY 10 HA3 GLY 10 7.116 2.076 0.021
59 H ILE 11 H ILE 11 9.701 1.227 0.476
60 HA ILE 11 HA ILE 11 10.849 2.546 2.685
61 HB ILE 11 HB ILE 11 11.749 1.395 0.088
62 HG12 ILE 11 HG12 ILE 11 11.446 0.335 2.554
63 HG13 ILE 11 HG13 ILE 11 12.726 -0.204 1.450
64 HG21 ILE 11 HG21 ILE 11 14.143 2.158 0.526
65 HG22 ILE 11 HG22 ILE 11 13.501 3.357 1.705
66 HG23 ILE 11 HG23 ILE 11 13.050 3.466 -0.033
67 HD11 ILE 11 HD11 ILE 11 13.527 0.184 3.824
68 HD12 ILE 11 HD12 ILE 11 13.207 1.947 3.608
69 HD13 ILE 11 HD13 ILE 11 14.441 1.110 2.589
70 H GLY 12 H GLY 12 9.781 3.781 -0.405
71 HA2 GLY 12 HA2 GLY 12 10.330 6.529 0.540
72 HA3 GLY 12 HA3 GLY 12 10.721 6.001 -1.142
73 H TYR 13 H TYR 13 7.895 5.236 0.938
74 HA TYR 13 HA TYR 13 6.240 6.342 -1.252
75 HB2 TYR 13 HB2 TYR 13 5.912 3.848 -0.677
76 HB3 TYR 13 HB3 TYR 13 5.334 4.400 0.950
77 HD1 TYR 13 HD1 TYR 13 4.920 5.278 -2.683
78 HD2 TYR 13 HD2 TYR 13 2.966 4.638 1.106
79 HE1 TYR 13 HE1 TYR 13 2.722 5.618 -3.756
80 HE2 TYR 13 HE2 TYR 13 0.778 4.878 0.011
81 HH TYR 13 HH TYR 13 -0.235 4.861 -2.159
82 H SER 14 H SER 14 4.636 7.817 -0.844
83 HA SER 14 HA SER 14 4.320 8.743 1.958
84 HB2 SER 14 HB2 SER 14 4.612 10.640 -0.441
85 HB3 SER 14 HB3 SER 14 4.679 11.051 1.343
86 H GLY 15 H GLY 15 2.616 7.300 -0.251
87 HA2 GLY 15 HA2 GLY 15 0.422 9.231 -0.540
88 HA3 GLY 15 HA3 GLY 15 0.532 7.564 -1.194
89 HA PRO 16 HA PRO 16 -2.387 7.758 2.464
90 HB2 PRO 16 HB2 PRO 16 -3.632 5.726 0.544
91 HB3 PRO 16 HB3 PRO 16 -4.488 6.895 1.623
92 HG2 PRO 16 HG2 PRO 16 -4.067 7.294 -1.131
93 HG3 PRO 16 HG3 PRO 16 -4.166 8.675 0.032
94 HD2 PRO 16 HD2 PRO 16 -1.788 7.553 -1.405
95 HD3 PRO 16 HD3 PRO 16 -1.992 9.166 -0.615
96 H THR 17 H THR 17 -2.136 6.573 4.274
97 HA THR 17 HA THR 17 -0.904 3.895 4.035
98 HB THR 17 HB THR 17 0.623 5.528 4.910
99 HG1 THR 17 HG1 THR 17 -0.533 3.874 6.895
100 HG21 THR 17 HG21 THR 17 -1.839 6.385 6.550
101 HG22 THR 17 HG22 THR 17 -0.595 7.380 5.689
102 HG23 THR 17 HG23 THR 17 -0.206 6.599 7.255
103 H VAL 18 H VAL 18 -3.853 4.657 4.159
104 HA VAL 18 HA VAL 18 -4.574 3.281 6.709
105 HB VAL 18 HB VAL 18 -6.040 5.117 4.798
106 HG11 VAL 18 HG11 VAL 18 -7.715 3.265 5.262
107 HG12 VAL 18 HG12 VAL 18 -8.139 4.737 6.184
108 HG13 VAL 18 HG13 VAL 18 -7.333 3.348 6.995
109 HG21 VAL 18 HG21 VAL 18 -4.553 5.699 7.004
110 HG22 VAL 18 HG22 VAL 18 -6.020 5.138 7.861
111 HG23 VAL 18 HG23 VAL 18 -6.134 6.536 6.738
112 H CYS 19 H CYS 19 -4.182 2.682 3.351
113 HA CYS 19 HA CYS 19 -5.102 1.283 1.875
114 HB2 CYS 19 HB2 CYS 19 -4.976 -0.458 4.363
115 HB3 CYS 19 HB3 CYS 19 -5.670 -1.149 2.909
116 H ALA 20 H ALA 20 -7.021 0.515 0.774
117 HA ALA 20 HA ALA 20 -9.358 1.820 1.450
118 HB1 ALA 20 HB1 ALA 20 -9.160 -0.929 0.054
119 HB2 ALA 20 HB2 ALA 20 -8.847 0.604 -0.812
120 HB3 ALA 20 HB3 ALA 20 -10.482 0.259 -0.153
121 H SER 21 H SER 21 -11.324 1.401 2.555
122 HA SER 21 HA SER 21 -10.977 -0.020 4.869
123 HB2 SER 21 HB2 SER 21 -13.674 0.597 3.526
124 HB3 SER 21 HB3 SER 21 -13.324 0.454 5.298
125 HG SER 21 HG SER 21 -13.331 2.611 4.810
126 H GLY 22 H GLY 22 -11.393 -1.381 1.900
127 HA2 GLY 22 HA2 GLY 22 -12.493 -3.951 2.884
128 HA3 GLY 22 HA3 GLY 22 -12.344 -3.419 1.169
129 H THR 23 H THR 23 -9.544 -2.426 2.568
130 HA THR 23 HA THR 23 -8.124 -4.900 1.920
131 HB THR 23 HB THR 23 -6.298 -3.598 0.883
132 HG1 THR 23 HG1 THR 23 -7.499 -1.626 2.065
133 HG21 THR 23 HG21 THR 23 -7.548 -2.460 -1.099
134 HG22 THR 23 HG22 THR 23 -9.046 -3.149 -0.387
135 HG23 THR 23 HG23 THR 23 -7.704 -4.248 -0.886
136 H THR 24 H THR 24 -5.873 -4.829 2.885
137 HA THR 24 HA THR 24 -5.623 -3.070 5.285
138 HB THR 24 HB THR 24 -5.448 -6.088 4.961
139 HG1 THR 24 HG1 THR 24 -7.349 -4.944 5.643
140 HG21 THR 24 HG21 THR 24 -3.373 -5.568 6.235
141 HG22 THR 24 HG22 THR 24 -4.625 -6.145 7.377
142 HG23 THR 24 HG23 THR 24 -4.264 -4.387 7.274
143 H CYS 25 H CYS 25 -3.557 -2.457 5.982
144 HA CYS 25 HA CYS 25 -1.514 -2.362 3.971
145 HB2 CYS 25 HB2 CYS 25 -1.600 -1.620 6.945
146 HB3 CYS 25 HB3 CYS 25 -0.109 -1.431 5.984
147 H GLN 26 H GLN 26 -0.208 -4.037 3.414
148 HA GLN 26 HA GLN 26 1.130 -5.439 5.618
149 HB2 GLN 26 HB2 GLN 26 0.009 -7.048 3.264
150 HB3 GLN 26 HB3 GLN 26 0.768 -7.670 4.752
151 HG2 GLN 26 HG2 GLN 26 -1.202 -6.807 6.107
152 HG3 GLN 26 HG3 GLN 26 -2.015 -6.307 4.585
153 HE21 GLN 26 HE21 GLN 26 -2.077 -8.204 2.880
154 HE22 GLN 26 HE22 GLN 26 -2.611 -9.728 3.557
155 H VAL 27 H VAL 27 2.763 -7.103 4.301
156 HA VAL 27 HA VAL 27 4.286 -5.227 2.602
157 HB VAL 27 HB VAL 27 5.069 -7.266 4.682
158 HG11 VAL 27 HG11 VAL 27 6.610 -7.826 2.885
159 HG12 VAL 27 HG12 VAL 27 7.502 -6.651 3.918
160 HG13 VAL 27 HG13 VAL 27 6.757 -6.097 2.383
161 HG21 VAL 27 HG21 VAL 27 5.824 -5.383 5.855
162 HG22 VAL 27 HG22 VAL 27 4.574 -4.538 4.875
163 HG23 VAL 27 HG23 VAL 27 6.291 -4.493 4.360
164 H LEU 28 H LEU 28 4.740 -5.745 0.566
165 HA LEU 28 HA LEU 28 4.434 -8.580 -0.255
166 HB2 LEU 28 HB2 LEU 28 2.998 -7.414 -1.647
167 HB3 LEU 28 HB3 LEU 28 3.966 -5.925 -1.582
168 HG LEU 28 HG LEU 28 5.589 -6.803 -3.195
169 HD11 LEU 28 HD11 LEU 28 4.280 -9.275 -4.122
170 HD12 LEU 28 HD12 LEU 28 4.704 -9.422 -2.391
171 HD13 LEU 28 HD13 LEU 28 5.973 -8.986 -3.584
172 HD21 LEU 28 HD21 LEU 28 3.596 -7.581 -5.043
173 HD22 LEU 28 HD22 LEU 28 4.096 -5.914 -4.683
174 HD23 LEU 28 HD23 LEU 28 2.676 -6.637 -3.830
175 H ASN 29 H ASN 29 6.714 -5.807 0.030
176 HA ASN 29 HA ASN 29 8.826 -7.707 -0.071
177 HB2 ASN 29 HB2 ASN 29 9.915 -7.131 -2.125
178 HB3 ASN 29 HB3 ASN 29 8.200 -7.287 -2.573
179 HD21 ASN 29 HD21 ASN 29 8.266 -5.866 -4.421
180 HD22 ASN 29 HD22 ASN 29 8.556 -4.156 -4.196
181 HA PRO 30 HA PRO 30 10.340 -4.740 2.669
182 HB2 PRO 30 HB2 PRO 30 13.154 -4.420 1.948
183 HB3 PRO 30 HB3 PRO 30 12.454 -5.652 3.041
184 HG2 PRO 30 HG2 PRO 30 13.542 -6.060 0.334
185 HG3 PRO 30 HG3 PRO 30 12.911 -7.287 1.497
186 HD2 PRO 30 HD2 PRO 30 11.588 -6.087 -0.885
187 HD3 PRO 30 HD3 PRO 30 11.085 -7.532 0.107
188 H TYR 31 H TYR 31 10.067 -3.658 -0.457
189 HA TYR 31 HA TYR 31 10.684 -0.869 0.223
190 HB2 TYR 31 HB2 TYR 31 11.345 -2.417 -2.379
191 HB3 TYR 31 HB3 TYR 31 11.451 -0.624 -2.226
192 HD1 TYR 31 HD2 TYR 31 12.850 -3.853 -0.886
193 HD2 TYR 31 HD1 TYR 31 13.369 0.391 -1.253
194 HE1 TYR 31 HE2 TYR 31 15.023 -4.014 0.299
195 HE2 TYR 31 HE1 TYR 31 15.556 0.217 -0.102
196 HH TYR 31 HH TYR 31 16.422 -2.463 1.731
197 H TYR 32 H TYR 32 8.231 -2.858 -0.002
198 HA TYR 32 HA TYR 32 6.422 -1.012 -1.276
199 HB2 TYR 32 HB2 TYR 32 7.408 -2.260 -3.285
200 HB3 TYR 32 HB3 TYR 32 6.842 -3.782 -2.499
201 HD1 TYR 32 HD2 TYR 32 5.592 -0.490 -3.833
202 HD2 TYR 32 HD1 TYR 32 4.756 -4.575 -2.940
203 HE1 TYR 32 HE2 TYR 32 3.311 -0.212 -4.759
204 HE2 TYR 32 HE1 TYR 32 2.499 -4.339 -3.968
205 HH TYR 32 HH TYR 32 1.283 -1.222 -5.089
206 H SER 33 H SER 33 4.947 -0.912 0.299
207 HA SER 33 HA SER 33 3.990 -3.409 1.544
208 HB2 SER 33 HB2 SER 33 3.304 -0.590 2.552
209 HB3 SER 33 HB3 SER 33 3.209 -2.143 3.418
210 HG SER 33 HG SER 33 5.583 -0.802 2.550
211 H GLN 34 H GLN 34 1.953 -3.988 0.899
212 HA GLN 34 HA GLN 34 0.614 -2.085 -0.895
213 HB2 GLN 34 HB2 GLN 34 0.990 -3.445 -2.516
214 HB3 GLN 34 HB3 GLN 34 1.691 -4.695 -1.431
215 HG2 GLN 34 HG2 GLN 34 -0.578 -5.634 -1.049
216 HG3 GLN 34 HG3 GLN 34 -1.309 -4.413 -2.147
217 HE21 GLN 34 HE21 GLN 34 -0.048 -4.381 -4.467
218 HE22 GLN 34 HE22 GLN 34 0.146 -5.999 -5.090
219 H CYS 35 H CYS 35 -1.670 -2.369 -1.175
220 HA CYS 35 HA CYS 35 -3.000 -2.910 1.396
221 HB2 CYS 35 HB2 CYS 35 -3.823 -1.505 -1.213
222 HB3 CYS 35 HB3 CYS 35 -4.971 -1.740 0.139
223 H LEU 36 H LEU 36 -3.929 -4.805 1.798
224 HA LEU 36 HA LEU 36 -4.836 -6.392 -0.507
225 HB2 LEU 36 HB2 LEU 36 -3.936 -7.230 2.303
226 HB3 LEU 36 HB3 LEU 36 -4.510 -8.346 1.026
227 HG LEU 36 HG LEU 36 -2.174 -8.557 0.938
228 HD11 LEU 36 HD11 LEU 36 -2.721 -6.426 -1.218
229 HD12 LEU 36 HD12 LEU 36 -3.365 -8.102 -1.298
230 HD13 LEU 36 HD13 LEU 36 -1.585 -7.819 -1.289
231 HD21 LEU 36 HD21 LEU 36 -0.520 -6.798 1.113
232 HD22 LEU 36 HD22 LEU 36 -1.793 -6.356 2.334
233 HD23 LEU 36 HD23 LEU 36 -1.726 -5.529 0.778
234 H1 MAN 101 H1 MAN 37 -9.818 2.655 -0.210
235 H2 MAN 101 H2 MAN 37 -7.938 3.570 -1.478
236 H3 MAN 101 H3 MAN 37 -8.628 5.892 -1.467
237 H4 MAN 101 H4 MAN 37 -10.786 5.042 -3.425
238 H5 MAN 101 H5 MAN 37 -11.116 5.997 -0.513
239 H61 MAN 101 H61 MAN 37 -13.082 4.667 -2.454
240 H62 MAN 101 H62 MAN 37 -12.995 6.446 -2.165
241 HO2 MAN 101 HO2 MAN 37 -8.898 3.233 -3.609
242 HO3 MAN 101 HO3 MAN 37 -8.257 6.253 -3.768
243 HO4 MAN 101 HO4 MAN 37 -10.976 7.511 -2.193
244 HO6 MAN 101 HO6 MAN 37 -14.522 5.036 -0.796
245 H1 MAN 102 H1 MAN 38 -7.111 2.251 -7.774
246 H2 MAN 102 H2 MAN 38 -5.277 0.548 -7.737
247 H3 MAN 102 H3 MAN 38 -3.978 1.664 -5.956
248 H4 MAN 102 H4 MAN 38 -3.215 3.662 -8.149
249 H5 MAN 102 H5 MAN 38 -4.798 4.096 -5.562
250 H61 MAN 102 H61 MAN 38 -4.340 5.898 -8.003
251 H62 MAN 102 H62 MAN 38 -3.523 6.068 -6.406
252 HO2 MAN 102 HO2 MAN 38 -4.514 1.080 -9.661
253 HO3 MAN 102 HO3 MAN 38 -2.411 1.340 -8.318
254 HO4 MAN 102 HO4 MAN 38 -1.575 3.157 -6.605
255 HO6 MAN 102 HO6 MAN 38 -6.357 6.068 -6.799
256 H1 MAN 103 H1 MAN 39 6.917 11.772 1.585
257 H2 MAN 103 H2 MAN 39 5.672 12.497 -0.480
258 H3 MAN 103 H3 MAN 39 6.450 10.617 -1.889
259 H4 MAN 103 H4 MAN 39 9.129 12.089 -1.843
260 H5 MAN 103 H5 MAN 39 8.312 9.340 -0.738
261 H61 MAN 103 H61 MAN 39 10.943 10.906 -0.552
262 H62 MAN 103 H62 MAN 39 10.652 9.484 -1.621
263 HO2 MAN 103 HO2 MAN 39 7.957 13.514 0.408
264 HO3 MAN 103 HO3 MAN 39 6.995 13.243 -2.799
265 HO4 MAN 103 HO4 MAN 39 8.115 9.992 -3.435
266 HO6 MAN 103 HO6 MAN 39 11.651 9.078 0.569