Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
2499 | 1bzb RC | 4261 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H CYS 1 1H CYS 1 -4.254 9.973 -0.643
2 2H CYS 1 2H CYS 1 -3.077 9.779 0.496
3 3H CYS 1 3H CYS 1 -2.868 9.161 -1.018
4 HA CYS 1 HA CYS 1 -4.650 7.638 -0.728
5 1HB CYS 1 1HB CYS 1 -2.423 7.574 1.312
6 2HB CYS 1 2HB CYS 1 -3.629 6.288 1.164
7 H SER 2 H SER 2 -6.685 7.819 -0.102
8 HA SER 2 HA SER 2 -7.589 8.940 2.408
9 1HB SER 2 1HB SER 2 -9.771 8.028 1.686
10 2HB SER 2 2HB SER 2 -8.991 8.977 0.406
11 HG SER 2 HG SER 2 -9.835 6.989 -0.352
12 H ASN 3 H ASN 3 -6.733 5.725 1.165
13 HA ASN 3 HA ASN 3 -7.857 4.041 3.078
14 1HB ASN 3 1HB ASN 3 -5.268 3.863 1.473
15 2HB ASN 3 2HB ASN 3 -5.890 2.538 2.466
16 1HD2 ASN 3 1HD2 ASN 3 -8.203 1.937 2.056
17 H LEU 4 H LEU 4 -4.384 4.959 3.035
18 HA LEU 4 HA LEU 4 -2.771 4.712 4.576
19 1HB LEU 4 1HB LEU 4 -4.804 5.703 6.614
20 2HB LEU 4 2HB LEU 4 -3.043 5.759 6.741
21 HG LEU 4 HG LEU 4 -4.755 7.313 4.745
22 1HD1 LEU 4 1HD1 LEU 4 -4.929 8.113 7.068
23 2HD1 LEU 4 2HD1 LEU 4 -3.158 8.229 7.168
24 3HD1 LEU 4 3HD1 LEU 4 -4.059 9.272 6.046
25 1HD2 LEU 4 1HD2 LEU 4 -1.735 7.326 5.202
26 2HD2 LEU 4 2HD2 LEU 4 -2.575 6.814 3.721
27 3HD2 LEU 4 3HD2 LEU 4 -2.622 8.508 4.218
28 H SER 5 H SER 5 -4.066 2.435 3.861
29 HA SER 5 HA SER 5 -3.697 0.634 6.128
30 1HB SER 5 1HB SER 5 -5.990 1.360 6.547
31 2HB SER 5 2HB SER 5 -6.454 1.038 4.870
32 HG SER 5 HG SER 5 -5.937 -1.161 5.254
33 H THR 6 H THR 6 -5.595 0.504 3.073
34 HA THR 6 HA THR 6 -4.199 -1.721 1.931
35 HB THR 6 HB THR 6 -5.846 0.525 0.696
36 HG1 THR 6 HG1 THR 6 -6.520 -2.099 1.526
37 1HG2 THR 6 1HG2 THR 6 -5.128 -2.192 -0.460
38 2HG2 THR 6 2HG2 THR 6 -6.300 -1.041 -1.140
39 3HG2 THR 6 3HG2 THR 6 -4.584 -0.606 -1.072
40 H CYS 7 H CYS 7 -3.955 1.841 1.571
41 HA CYS 7 HA CYS 7 -1.828 1.869 -0.307
42 1HB CYS 7 1HB CYS 7 -3.290 3.738 -0.034
43 2HB CYS 7 2HB CYS 7 -2.846 3.929 1.667
44 H VAL 8 H VAL 8 -1.761 2.317 3.314
45 HA VAL 8 HA VAL 8 1.013 2.782 3.355
46 HB VAL 8 HB VAL 8 -0.688 3.353 5.136
47 1HG1 VAL 8 1HG2 VAL 8 -1.553 1.021 5.464
48 2HG1 VAL 8 2HG2 VAL 8 -0.019 0.596 6.247
49 3HG1 VAL 8 3HG2 VAL 8 -1.066 1.837 6.957
50 1HG2 VAL 8 1HG1 VAL 8 1.726 3.764 5.383
51 2HG2 VAL 8 2HG1 VAL 8 1.003 3.277 6.925
52 3HG2 VAL 8 3HG1 VAL 8 1.962 2.111 5.991
53 H LEU 9 H LEU 9 -0.789 -0.297 3.751
54 HA LEU 9 HA LEU 9 1.500 -1.954 4.207
55 1HB LEU 9 1HB LEU 9 -1.229 -2.510 2.998
56 2HB LEU 9 2HB LEU 9 -0.034 -3.770 3.312
57 HG LEU 9 HG LEU 9 -1.135 -1.948 5.498
58 1HD1 LEU 9 1HD1 LEU 9 -2.925 -3.353 4.484
59 2HD1 LEU 9 2HD1 LEU 9 -1.927 -4.797 4.749
60 3HD1 LEU 9 3HD1 LEU 9 -2.537 -3.867 6.134
61 1HD2 LEU 9 1HD2 LEU 9 0.486 -4.530 5.593
62 2HD2 LEU 9 2HD2 LEU 9 1.027 -2.922 6.125
63 3HD2 LEU 9 3HD2 LEU 9 -0.267 -3.745 6.995
64 H GLY 10 H GLY 10 -0.040 -0.733 1.220
65 1HA GLY 10 1HA GLY 10 1.433 -2.227 -0.678
66 2HA GLY 10 2HA GLY 10 0.719 -0.624 -0.915
67 H LYS 11 H LYS 11 2.124 0.953 0.874
68 HA LYS 11 HA LYS 11 4.564 1.437 -0.550
69 1HB LYS 11 1HB LYS 11 3.380 2.603 1.980
70 2HB LYS 11 2HB LYS 11 4.860 3.217 1.203
71 1HG LYS 11 1HG LYS 11 3.582 3.560 -0.908
72 2HG LYS 11 2HG LYS 11 2.091 3.123 -0.076
73 1HD LYS 11 1HD LYS 11 3.894 5.496 0.585
74 2HD LYS 11 2HD LYS 11 2.386 5.532 -0.324
75 1HE LYS 11 1HE LYS 11 1.692 6.248 1.752
76 2HE LYS 11 2HE LYS 11 1.263 4.532 1.793
77 1HZ LYS 11 1HZ LYS 11 3.678 5.740 2.954
78 2HZ LYS 11 2HZ LYS 11 2.322 5.320 3.793
79 3HZ LYS 11 3HZ LYS 11 3.244 4.158 3.084
80 H LEU 12 H LEU 12 3.852 -0.040 2.642
81 HA LEU 12 HA LEU 12 6.581 -0.355 3.476
82 1HB LEU 12 1HB LEU 12 3.998 -1.800 4.153
83 2HB LEU 12 2HB LEU 12 5.532 -2.198 4.929
84 HG LEU 12 HG LEU 12 4.460 0.642 4.944
85 1HD1 LEU 12 1HD1 LEU 12 3.907 -1.563 6.976
86 2HD1 LEU 12 2HD1 LEU 12 3.515 0.157 7.185
87 3HD1 LEU 12 3HD1 LEU 12 2.708 -0.785 5.923
88 1HD2 LEU 12 1HD2 LEU 12 6.860 0.295 5.603
89 2HD2 LEU 12 2HD2 LEU 12 5.868 0.836 6.962
90 3HD2 LEU 12 3HD2 LEU 12 6.333 -0.871 6.828
91 H SER 13 H SER 13 4.332 -2.425 1.616
92 HA SER 13 HA SER 13 6.075 -4.659 1.359
93 1HB SER 13 1HB SER 13 3.630 -4.705 0.940
94 2HB SER 13 2HB SER 13 3.876 -3.757 -0.543
95 HG SER 13 HG SER 13 5.302 -5.479 -1.206
96 H GLN 14 H GLN 14 5.572 -1.755 -0.704
97 HA GLN 14 HA GLN 14 7.344 -2.499 -2.771
98 1HB GLN 14 1HB GLN 14 5.612 -0.762 -2.980
99 2HB GLN 14 2HB GLN 14 6.469 0.255 -1.814
100 1HG GLN 14 1HG GLN 14 6.889 1.037 -4.063
101 2HG GLN 14 2HG GLN 14 8.395 0.434 -3.377
102 1HE2 GLN 14 2HE2 GLN 14 9.213 -1.666 -4.144
103 2HE2 GLN 14 1HE2 GLN 14 8.723 -2.277 -5.710
104 H GLU 15 H GLU 15 7.851 -0.570 0.208
105 HA GLU 15 HA GLU 15 10.549 0.153 -0.115
106 1HB GLU 15 1HB GLU 15 9.154 1.086 1.612
107 2HB GLU 15 2HB GLU 15 8.890 -0.504 2.343
108 1HG GLU 15 1HG GLU 15 11.262 -0.663 2.961
109 2HG GLU 15 2HG GLU 15 11.582 0.897 2.178
110 H LEU 16 H LEU 16 9.126 -2.785 1.419
111 HA LEU 16 HA LEU 16 11.559 -4.064 2.051
112 1HB LEU 16 1HB LEU 16 8.773 -5.121 1.515
113 2HB LEU 16 2HB LEU 16 10.098 -6.167 2.028
114 HG LEU 16 HG LEU 16 9.294 -3.709 3.638
115 1HD1 LEU 16 1HD1 LEU 16 8.294 -6.573 3.935
116 2HD1 LEU 16 2HD1 LEU 16 7.981 -5.237 5.065
117 3HD1 LEU 16 3HD1 LEU 16 7.322 -5.178 3.422
118 1HD2 LEU 16 1HD2 LEU 16 10.803 -6.264 4.357
119 2HD2 LEU 16 2HD2 LEU 16 11.520 -4.648 4.185
120 3HD2 LEU 16 3HD2 LEU 16 10.369 -4.965 5.485
121 H HIS 17 H HIS 17 9.564 -4.282 -0.957
122 HA HIS 17 HA HIS 17 11.063 -6.292 -2.240
123 1HB HIS 17 1HB HIS 17 9.718 -3.877 -3.514
124 2HB HIS 17 2HB HIS 17 10.236 -5.340 -4.346
125 HD1 HIS 17 HD1 HIS 17 7.299 -4.314 -4.387
126 HD2 HIS 17 HD2 HIS 17 8.762 -7.262 -1.788
127 HE1 HIS 17 HE1 HIS 17 5.322 -5.735 -3.660
128 H LYS 18 H LYS 18 11.489 -2.723 -2.378
129 HA LYS 18 HA LYS 18 13.651 -2.680 -4.161
130 1HB LYS 18 1HB LYS 18 12.694 -0.757 -2.016
131 2HB LYS 18 2HB LYS 18 14.063 -0.393 -3.075
132 1HG LYS 18 1HG LYS 18 12.667 -0.667 -5.071
133 2HG LYS 18 2HG LYS 18 11.279 -1.137 -4.080
134 1HD LYS 18 1HD LYS 18 11.224 1.050 -3.010
135 2HD LYS 18 2HD LYS 18 12.704 1.545 -3.868
136 1HE LYS 18 1HE LYS 18 11.552 1.369 -6.027
137 2HE LYS 18 2HE LYS 18 10.072 0.822 -5.217
138 1HZ LYS 18 1HZ LYS 18 11.373 3.421 -4.826
139 2HZ LYS 18 2HZ LYS 18 10.009 3.144 -5.710
140 3HZ LYS 18 3HZ LYS 18 9.995 2.912 -4.078
141 H LEU 19 H LEU 19 13.819 -2.448 -0.542
142 HA LEU 19 HA LEU 19 16.655 -2.381 -0.545
143 1HB LEU 19 1HB LEU 19 16.556 -2.474 1.831
144 2HB LEU 19 2HB LEU 19 15.336 -1.397 1.166
145 HG LEU 19 HG LEU 19 13.750 -3.520 1.422
146 1HD1 LEU 19 1HD1 LEU 19 15.837 -4.000 3.602
147 2HD1 LEU 19 2HD1 LEU 19 14.270 -4.818 3.456
148 3HD1 LEU 19 3HD1 LEU 19 15.525 -5.094 2.247
149 1HD2 LEU 19 1HD2 LEU 19 13.482 -1.322 2.534
150 2HD2 LEU 19 2HD2 LEU 19 13.097 -2.655 3.636
151 3HD2 LEU 19 3HD2 LEU 19 14.652 -1.806 3.775
152 H GLN 20 H GLN 20 14.470 -5.137 -0.691
153 HA GLN 20 HA GLN 20 16.504 -7.077 0.126
154 1HB GLN 20 1HB GLN 20 13.740 -7.306 -1.115
155 2HB GLN 20 2HB GLN 20 14.783 -8.702 -0.838
156 1HG GLN 20 1HG GLN 20 13.912 -6.781 1.365
157 2HG GLN 20 2HG GLN 20 13.119 -8.314 0.992
158 1HE2 GLN 20 2HE2 GLN 20 14.664 -10.292 0.956
159 2HE2 GLN 20 1HE2 GLN 20 15.850 -10.354 2.243
160 H THR 21 H THR 21 14.988 -6.046 -2.977
161 HA THR 21 HA THR 21 16.399 -7.784 -4.671
162 HB THR 21 HB THR 21 15.264 -5.006 -5.207
163 HG1 THR 21 HG1 THR 21 14.230 -7.625 -5.561
164 1HG2 THR 21 1HG2 THR 21 16.036 -7.239 -7.142
165 2HG2 THR 21 2HG2 THR 21 15.123 -5.777 -7.568
166 3HG2 THR 21 3HG2 THR 21 16.805 -5.639 -7.035
167 H TYR 22 H TYR 22 17.175 -4.398 -3.733
168 HA TYR 22 HA TYR 22 20.020 -4.880 -4.413
169 1HB TYR 22 1HB TYR 22 20.112 -2.445 -4.985
170 2HB TYR 22 2HB TYR 22 19.288 -3.496 -6.125
171 HD1 TYR 22 HD1 TYR 22 18.674 -0.992 -3.404
172 HD2 TYR 22 HD2 TYR 22 17.022 -3.107 -6.774
173 HE1 TYR 22 HE1 TYR 22 16.827 0.655 -3.535
174 HE2 TYR 22 HE2 TYR 22 15.177 -1.462 -6.899
175 HH TYR 22 HH TYR 22 15.042 1.421 -4.769
176 HA PRO 23 HA PRO 23 20.655 -3.854 -0.083
177 1HB PRO 23 1HB PRO 23 23.080 -2.435 -1.241
178 2HB PRO 23 2HB PRO 23 22.967 -3.436 0.234
179 1HG PRO 23 1HG PRO 23 23.920 -4.497 -2.071
180 2HG PRO 23 2HG PRO 23 22.763 -5.427 -1.072
181 1HD PRO 23 1HD PRO 23 22.182 -3.868 -3.606
182 2HD PRO 23 2HD PRO 23 21.591 -5.465 -3.055
183 H ARG 24 H ARG 24 21.651 -1.137 -2.257
184 HA ARG 24 HA ARG 24 19.578 0.618 -1.258
185 1HB ARG 24 1HB ARG 24 21.219 0.761 0.598
186 2HB ARG 24 2HB ARG 24 22.476 1.241 -0.550
187 1HG ARG 24 1HG ARG 24 21.132 3.281 -1.125
188 2HG ARG 24 2HG ARG 24 19.858 2.734 -0.020
189 1HD ARG 24 1HD ARG 24 21.205 4.427 1.070
190 2HD ARG 24 2HD ARG 24 21.462 2.866 1.875
191 HE ARG 24 HE ARG 24 23.422 3.229 -0.172
192 1HH1 ARG 24 1HH2 ARG 24 22.579 4.511 3.038
193 2HH1 ARG 24 2HH2 ARG 24 24.228 4.945 3.421
194 1HH2 ARG 24 1HH1 ARG 24 25.563 3.804 0.359
195 2HH2 ARG 24 2HH1 ARG 24 25.921 4.546 1.902
196 H THR 25 H THR 25 18.947 1.133 -3.261
197 HA THR 25 HA THR 25 20.676 2.791 -4.935
198 HB THR 25 HB THR 25 19.306 0.345 -6.155
199 HG1 THR 25 HG1 THR 25 22.022 0.796 -5.516
200 1HG2 THR 25 1HG2 THR 25 21.308 2.359 -7.278
201 2HG2 THR 25 2HG2 THR 25 20.647 0.952 -8.135
202 3HG2 THR 25 3HG2 THR 25 19.582 2.296 -7.692
203 H ASP 26 H ASP 26 19.086 4.074 -3.660
204 HA ASP 26 HA ASP 26 17.286 5.386 -3.488
205 1HB ASP 26 1HB ASP 26 16.540 4.551 -6.323
206 2HB ASP 26 2HB ASP 26 15.950 5.946 -5.423
207 H VAL 27 H VAL 27 16.848 3.598 -1.888
208 HA VAL 27 HA VAL 27 14.572 1.865 -2.338
209 HB VAL 27 HB VAL 27 15.871 2.903 0.214
210 1HG1 VAL 27 1HG1 VAL 27 13.826 0.671 -0.184
211 2HG1 VAL 27 2HG1 VAL 27 14.705 1.004 1.322
212 3HG1 VAL 27 3HG1 VAL 27 13.563 2.192 0.697
213 1HG2 VAL 27 1HG2 VAL 27 17.371 1.479 -1.165
214 2HG2 VAL 27 2HG2 VAL 27 16.889 0.658 0.324
215 3HG2 VAL 27 3HG2 VAL 27 16.121 0.216 -1.213
216 H GLY 28 H GLY 28 12.411 2.275 -1.808
217 1HA GLY 28 1HA GLY 28 11.473 4.934 -2.227
218 2HA GLY 28 2HA GLY 28 10.502 3.525 -1.773
219 H ALA 29 H ALA 29 10.517 2.873 0.520
220 HA ALA 29 HA ALA 29 10.016 3.299 2.667
221 1HB ALA 29 1HB ALA 29 12.497 3.216 2.725
222 2HB ALA 29 2HB ALA 29 12.556 4.981 2.560
223 3HB ALA 29 3HB ALA 29 11.830 4.243 4.003
224 H GLY 30 H GLY 30 8.514 4.938 0.960
225 1HA GLY 30 1HA GLY 30 8.318 7.603 2.238
226 2HA GLY 30 2HA GLY 30 7.365 6.962 0.892
227 H THR 31 H THR 31 8.076 5.948 4.261
228 HA THR 31 HA THR 31 5.186 5.300 4.727
229 HB THR 31 HB THR 31 6.056 3.333 5.959
230 HG1 THR 31 HG1 THR 31 8.196 4.130 6.231
231 1HG2 THR 31 1HG2 THR 31 5.223 3.099 3.657
232 2HG2 THR 31 2HG2 THR 31 6.846 3.442 3.011
233 3HG2 THR 31 3HG2 THR 31 6.563 1.985 3.970
234 HA PRO 32 HA PRO 32 6.858 8.099 8.061
235 1HB PRO 32 1HB PRO 32 4.802 9.902 8.162
236 2HB PRO 32 2HB PRO 32 6.142 9.999 6.985
237 1HG PRO 32 1HG PRO 32 3.388 8.825 6.541
238 2HG PRO 32 2HG PRO 32 4.272 9.978 5.504
239 1HD PRO 32 1HD PRO 32 4.263 7.309 5.000
240 2HD PRO 32 2HD PRO 32 5.729 8.296 4.718
241 H1 NAG 33 H1 NAG 33 -8.204 0.624 -0.369
242 H2 NAG 33 H2 NAG 33 -10.603 1.430 1.334
243 H3 NAG 33 H3 NAG 33 -10.287 -0.864 -0.639
244 H4 NAG 33 H4 NAG 33 -11.958 1.678 -0.784
245 H5 NAG 33 H5 NAG 33 -9.483 0.809 -2.353
246 1H6 NAG 33 1H6 NAG 33 -9.626 3.196 -3.215
247 2H6 NAG 33 2H6 NAG 33 -11.296 3.246 -2.603
248 1H8 NAG 33 1H8 NAG 33 -7.837 -1.395 3.806
249 2H8 NAG 33 2H8 NAG 33 -8.898 -0.769 5.084
250 3H8 NAG 33 3H8 NAG 33 -9.521 -1.956 3.920
251 HN2 NAG 33 HN2 NAG 33 -9.337 -1.231 1.538
252 HO3 NAG 33 HO3 NAG 33 -12.560 -1.080 -0.167
253 HO6 NAG 33 HO6 NAG 33 -11.183 2.612 -4.799
254 H1 NAG 34 H1 NAG 34 -13.528 1.619 -2.673
255 H2 NAG 34 H2 NAG 34 -14.045 -1.363 -3.145
256 H3 NAG 34 H3 NAG 34 -15.786 1.024 -3.899
257 H4 NAG 34 H4 NAG 34 -16.190 -1.152 -1.817
258 H5 NAG 34 H5 NAG 34 -15.540 1.822 -1.533
259 1H6 NAG 34 1H6 NAG 34 -17.069 1.143 0.251
260 2H6 NAG 34 2H6 NAG 34 -15.430 1.374 0.885
261 1H8 NAG 34 1H8 NAG 34 -12.748 1.799 -7.347
262 2H8 NAG 34 2H8 NAG 34 -11.732 0.491 -6.703
263 3H8 NAG 34 3H8 NAG 34 -13.287 0.111 -7.479
264 HN2 NAG 34 HN2 NAG 34 -13.087 -1.015 -5.151
265 HO3 NAG 34 HO3 NAG 34 -16.169 -1.809 -4.112
266 HO6 NAG 34 HO6 NAG 34 -15.151 -0.899 0.750
267 H1 MAN 35 H1 MAN 35 -18.374 -1.415 -3.097
268 H2 MAN 35 H2 MAN 35 -17.901 -1.992 -0.764
269 H3 MAN 35 H3 MAN 35 -19.653 -3.176 -1.899
270 H4 MAN 35 H4 MAN 35 -21.613 -1.065 -0.901
271 H5 MAN 35 H5 MAN 35 -20.573 -1.670 -3.703
272 1H6 MAN 35 1H6 MAN 35 -21.818 0.429 -4.316
273 2H6 MAN 35 2H6 MAN 35 -22.464 0.491 -2.670
274 HO2 MAN 35 HO2 MAN 35 -19.130 -0.997 0.894
275 HO4 MAN 35 HO4 MAN 35 -21.913 -3.336 -2.631
276 H1 MAN 36 H1 MAN 36 -21.872 -1.819 -5.190
277 H2 MAN 36 H2 MAN 36 -23.440 -0.231 -6.342
278 H3 MAN 36 H3 MAN 36 -25.482 -0.801 -5.204
279 H4 MAN 36 H4 MAN 36 -25.302 -3.556 -6.482
280 H5 MAN 36 H5 MAN 36 -25.006 -2.656 -3.576
281 1H6 MAN 36 1H6 MAN 36 -24.312 -5.046 -3.205
282 2H6 MAN 36 2H6 MAN 36 -24.776 -5.402 -4.875
283 HO2 MAN 36 HO2 MAN 36 -22.258 -1.899 -7.426
284 HO4 MAN 36 HO4 MAN 36 -27.190 -3.874 -5.235
285 H1 MAN 37 H1 MAN 37 -20.987 -1.546 1.095
286 H2 MAN 37 H2 MAN 37 -19.533 -2.888 2.612
287 H3 MAN 37 H3 MAN 37 -20.119 -5.119 1.861
288 H4 MAN 37 H4 MAN 37 -22.876 -4.584 3.041
289 H5 MAN 37 H5 MAN 37 -22.017 -4.904 0.123
290 1H6 MAN 37 1H6 MAN 37 -24.288 -5.777 0.561
291 2H6 MAN 37 2H6 MAN 37 -24.318 -4.288 -0.405
292 HO3 MAN 37 HO3 MAN 37 -21.022 -4.629 4.538
293 HO4 MAN 37 HO4 MAN 37 -21.778 -6.798 1.589
294 HO6 MAN 37 HO6 MAN 37 -24.781 -3.148 1.529
295 H1 MAN 38 H1 MAN 38 -25.821 -3.781 -2.019
296 H2 MAN 38 H2 MAN 38 -26.384 -6.090 -1.204
297 H3 MAN 38 H3 MAN 38 -28.238 -6.602 -2.683
298 H4 MAN 38 H4 MAN 38 -29.753 -4.385 -1.242
299 H5 MAN 38 H5 MAN 38 -28.704 -4.534 -4.108
300 1H6 MAN 38 1H6 MAN 38 -30.823 -3.295 -3.970
301 2H6 MAN 38 2H6 MAN 38 -29.457 -2.209 -4.296
302 HO2 MAN 38 HO2 MAN 38 -27.655 -5.260 0.549
303 HO3 MAN 38 HO3 MAN 38 -28.258 -7.506 -0.547
304 HO4 MAN 38 HO4 MAN 38 -30.427 -6.082 -3.454
305 HO6 MAN 38 HO6 MAN 38 -29.440 -1.712 -2.055
306 H1 MAN 39 H1 MAN 39 -25.259 -2.479 -8.520
307 H2 MAN 39 H2 MAN 39 -25.567 -0.302 -9.706
308 H3 MAN 39 H3 MAN 39 -27.587 0.481 -8.607
309 H4 MAN 39 H4 MAN 39 -29.006 -1.840 -9.976
310 H5 MAN 39 H5 MAN 39 -28.390 -1.365 -7.020
311 1H6 MAN 39 1H6 MAN 39 -30.533 -2.547 -7.355
312 2H6 MAN 39 2H6 MAN 39 -29.291 -3.609 -6.661
313 HO2 MAN 39 HO2 MAN 39 -25.618 -2.356 -10.783
314 HO3 MAN 39 HO3 MAN 39 -27.226 1.079 -10.822
315 HO4 MAN 39 HO4 MAN 39 -30.232 0.106 -9.665
316 HO6 MAN 39 HO6 MAN 39 -30.076 -3.492 -9.387
317 H1 MAN 40 H1 MAN 40 -19.774 -1.485 4.365
318 H2 MAN 40 H2 MAN 40 -21.674 -1.764 5.978
319 H3 MAN 40 H3 MAN 40 -23.538 -1.279 4.500
320 H4 MAN 40 H4 MAN 40 -22.460 1.569 4.374
321 H5 MAN 40 H5 MAN 40 -22.605 -0.601 2.231
322 1H6 MAN 40 1H6 MAN 40 -22.914 1.667 1.302
323 2H6 MAN 40 2H6 MAN 40 -21.359 0.959 0.822
324 HO2 MAN 40 HO2 MAN 40 -20.818 0.911 5.409
325 HO3 MAN 40 HO3 MAN 40 -24.589 0.298 5.843
326 HO4 MAN 40 HO4 MAN 40 -24.667 0.263 3.089
327 HO6 MAN 40 HO6 MAN 40 -20.389 2.176 2.505
328 1HN NH2 41 1HN NH2 41 3.209 6.469 9.243
329 2HN NH2 41 2HN NH2 41 3.440 6.967 7.582
Start of MODEL 2
1 1H CYS 1 1H CYS 1 -3.458 8.668 -0.339
2 2H CYS 1 2H CYS 1 -3.100 9.603 0.970
3 3H CYS 1 3H CYS 1 -2.059 8.414 0.497
4 HA CYS 1 HA CYS 1 -3.619 6.719 1.044
5 1HB CYS 1 1HB CYS 1 -3.055 8.722 3.229
6 2HB CYS 1 2HB CYS 1 -3.761 7.126 3.508
7 H SER 2 H SER 2 -5.510 6.949 -0.191
8 HA SER 2 HA SER 2 -7.796 8.404 1.007
9 1HB SER 2 1HB SER 2 -7.571 6.639 -1.468
10 2HB SER 2 2HB SER 2 -8.981 7.613 -0.993
11 HG SER 2 HG SER 2 -7.630 9.458 -1.151
12 H ASN 3 H ASN 3 -6.725 6.617 2.806
13 HA ASN 3 HA ASN 3 -8.746 4.742 3.449
14 1HB ASN 3 1HB ASN 3 -7.229 2.664 3.053
15 2HB ASN 3 2HB ASN 3 -8.206 3.280 1.734
16 1HD2 ASN 3 1HD2 ASN 3 -7.279 3.841 -0.113
17 H LEU 4 H LEU 4 -5.221 5.390 3.585
18 HA LEU 4 HA LEU 4 -3.682 5.232 5.224
19 1HB LEU 4 1HB LEU 4 -6.029 5.703 7.106
20 2HB LEU 4 2HB LEU 4 -4.336 5.748 7.579
21 HG LEU 4 HG LEU 4 -5.366 7.569 5.377
22 1HD1 LEU 4 1HD1 LEU 4 -5.368 8.099 8.375
23 2HD1 LEU 4 2HD1 LEU 4 -5.676 9.303 7.105
24 3HD1 LEU 4 3HD1 LEU 4 -6.798 7.950 7.330
25 1HD2 LEU 4 1HD2 LEU 4 -2.868 7.299 5.716
26 2HD2 LEU 4 2HD2 LEU 4 -3.447 8.939 6.046
27 3HD2 LEU 4 3HD2 LEU 4 -3.078 7.839 7.388
28 H SER 5 H SER 5 -4.369 2.923 4.092
29 HA SER 5 HA SER 5 -3.739 0.961 6.134
30 1HB SER 5 1HB SER 5 -6.174 1.076 6.484
31 2HB SER 5 2HB SER 5 -6.464 0.846 4.750
32 HG SER 5 HG SER 5 -6.621 -1.094 5.946
33 H THR 6 H THR 6 -5.306 1.095 2.881
34 HA THR 6 HA THR 6 -3.723 -1.014 1.776
35 HB THR 6 HB THR 6 -5.400 1.176 0.504
36 HG1 THR 6 HG1 THR 6 -6.867 -0.537 0.352
37 1HG2 THR 6 1HG2 THR 6 -4.169 -1.317 -0.741
38 2HG2 THR 6 2HG2 THR 6 -5.447 -0.338 -1.488
39 3HG2 THR 6 3HG2 THR 6 -3.853 0.373 -1.205
40 H CYS 7 H CYS 7 -3.355 2.546 1.878
41 HA CYS 7 HA CYS 7 -1.085 2.693 0.159
42 1HB CYS 7 1HB CYS 7 -0.837 4.897 0.904
43 2HB CYS 7 2HB CYS 7 -2.576 4.585 0.839
44 H VAL 8 H VAL 8 -1.468 2.114 3.671
45 HA VAL 8 HA VAL 8 1.287 2.395 4.359
46 HB VAL 8 HB VAL 8 -0.943 0.868 5.772
47 1HG1 VAL 8 1HG2 VAL 8 1.763 1.860 6.761
48 2HG1 VAL 8 2HG2 VAL 8 0.465 1.224 7.793
49 3HG1 VAL 8 3HG2 VAL 8 1.240 0.167 6.612
50 1HG2 VAL 8 1HG1 VAL 8 0.051 3.733 6.088
51 2HG2 VAL 8 2HG1 VAL 8 -1.547 3.231 5.495
52 3HG2 VAL 8 3HG1 VAL 8 -1.097 2.920 7.171
53 H LEU 9 H LEU 9 -0.766 -0.496 3.795
54 HA LEU 9 HA LEU 9 1.240 -2.469 3.994
55 1HB LEU 9 1HB LEU 9 -1.359 -2.354 2.426
56 2HB LEU 9 2HB LEU 9 -0.405 -3.829 2.612
57 HG LEU 9 HG LEU 9 -1.473 -2.262 5.005
58 1HD1 LEU 9 1HD1 LEU 9 -3.360 -2.969 3.587
59 2HD1 LEU 9 2HD1 LEU 9 -2.728 -4.630 3.557
60 3HD1 LEU 9 3HD1 LEU 9 -3.296 -3.916 5.083
61 1HD2 LEU 9 1HD2 LEU 9 -0.466 -5.125 4.688
62 2HD2 LEU 9 2HD2 LEU 9 0.369 -3.814 5.548
63 3HD2 LEU 9 3HD2 LEU 9 -1.165 -4.433 6.165
64 H GLY 10 H GLY 10 0.030 -0.680 1.119
65 1HA GLY 10 1HA GLY 10 1.591 -1.977 -0.848
66 2HA GLY 10 2HA GLY 10 0.918 -0.341 -0.943
67 H LYS 11 H LYS 11 2.231 0.974 1.103
68 HA LYS 11 HA LYS 11 4.647 1.726 -0.142
69 1HB LYS 11 1HB LYS 11 3.308 3.253 1.127
70 2HB LYS 11 2HB LYS 11 3.524 2.300 2.616
71 1HG LYS 11 1HG LYS 11 5.847 2.893 2.752
72 2HG LYS 11 2HG LYS 11 5.844 3.549 1.107
73 1HD LYS 11 1HD LYS 11 5.868 5.304 2.810
74 2HD LYS 11 2HD LYS 11 4.446 5.425 1.772
75 1HE LYS 11 1HE LYS 11 4.304 3.993 4.456
76 2HE LYS 11 2HE LYS 11 4.207 5.758 4.350
77 1HZ LYS 11 1HZ LYS 11 2.352 5.563 2.906
78 2HZ LYS 11 2HZ LYS 11 2.380 3.918 2.992
79 3HZ LYS 11 3HZ LYS 11 2.060 4.806 4.340
80 H LEU 12 H LEU 12 4.142 -0.099 2.967
81 HA LEU 12 HA LEU 12 6.949 -0.451 3.359
82 1HB LEU 12 1HB LEU 12 6.423 -1.838 5.209
83 2HB LEU 12 2HB LEU 12 5.377 -0.425 5.164
84 HG LEU 12 HG LEU 12 3.684 -2.105 3.964
85 1HD1 LEU 12 1HD1 LEU 12 5.361 -3.976 5.707
86 2HD1 LEU 12 2HD1 LEU 12 3.810 -4.370 4.942
87 3HD1 LEU 12 3HD1 LEU 12 5.238 -4.089 3.945
88 1HD2 LEU 12 1HD2 LEU 12 3.307 -0.899 6.090
89 2HD2 LEU 12 2HD2 LEU 12 2.709 -2.564 6.179
90 3HD2 LEU 12 3HD2 LEU 12 4.246 -2.129 6.957
91 H SER 13 H SER 13 4.503 -2.439 1.674
92 HA SER 13 HA SER 13 6.120 -4.759 1.330
93 1HB SER 13 1HB SER 13 3.707 -4.772 0.961
94 2HB SER 13 2HB SER 13 3.877 -3.644 -0.404
95 HG SER 13 HG SER 13 3.759 -5.829 -1.061
96 H GLN 14 H GLN 14 5.634 -1.839 -0.709
97 HA GLN 14 HA GLN 14 7.374 -2.554 -2.821
98 1HB GLN 14 1HB GLN 14 5.661 -0.790 -2.919
99 2HB GLN 14 2HB GLN 14 6.592 0.201 -1.782
100 1HG GLN 14 1HG GLN 14 8.475 0.277 -3.403
101 2HG GLN 14 2HG GLN 14 7.545 -0.721 -4.533
102 1HE2 GLN 14 2HE2 GLN 14 5.302 0.207 -5.123
103 2HE2 GLN 14 1HE2 GLN 14 5.219 1.936 -5.378
104 H GLU 15 H GLU 15 7.949 -0.678 0.196
105 HA GLU 15 HA GLU 15 10.620 0.053 -0.247
106 1HB GLU 15 1HB GLU 15 9.163 0.987 1.488
107 2HB GLU 15 2HB GLU 15 9.170 -0.555 2.360
108 1HG GLU 15 1HG GLU 15 11.594 -0.358 2.739
109 2HG GLU 15 2HG GLU 15 11.639 1.135 1.784
110 H LEU 16 H LEU 16 9.314 -2.829 1.485
111 HA LEU 16 HA LEU 16 11.812 -4.056 2.040
112 1HB LEU 16 1HB LEU 16 9.006 -5.157 1.697
113 2HB LEU 16 2HB LEU 16 10.365 -6.154 2.223
114 HG LEU 16 HG LEU 16 9.547 -3.624 3.716
115 1HD1 LEU 16 1HD1 LEU 16 7.641 -5.205 3.657
116 2HD1 LEU 16 2HD1 LEU 16 8.701 -6.505 4.242
117 3HD1 LEU 16 3HD1 LEU 16 8.350 -5.104 5.278
118 1HD2 LEU 16 1HD2 LEU 16 11.213 -6.054 4.510
119 2HD2 LEU 16 2HD2 LEU 16 11.828 -4.411 4.228
120 3HD2 LEU 16 3HD2 LEU 16 10.747 -4.724 5.589
121 H HIS 17 H HIS 17 9.641 -4.309 -0.810
122 HA HIS 17 HA HIS 17 11.108 -6.396 -2.092
123 1HB HIS 17 1HB HIS 17 8.776 -5.869 -2.608
124 2HB HIS 17 2HB HIS 17 9.249 -4.289 -3.247
125 HD1 HIS 17 HD1 HIS 17 9.996 -4.181 -5.667
126 HD2 HIS 17 HD2 HIS 17 9.833 -8.107 -4.207
127 HE1 HIS 17 HE1 HIS 17 10.414 -5.739 -7.632
128 H LYS 18 H LYS 18 11.526 -2.856 -2.038
129 HA LYS 18 HA LYS 18 13.355 -2.744 -4.271
130 1HB LYS 18 1HB LYS 18 12.651 -0.849 -2.013
131 2HB LYS 18 2HB LYS 18 13.930 -0.500 -3.194
132 1HG LYS 18 1HG LYS 18 12.436 -0.480 -5.024
133 2HG LYS 18 2HG LYS 18 11.146 -1.258 -4.110
134 1HD LYS 18 1HD LYS 18 10.651 1.078 -4.459
135 2HD LYS 18 2HD LYS 18 10.826 0.750 -2.732
136 1HE LYS 18 1HE LYS 18 13.132 1.856 -4.390
137 2HE LYS 18 2HE LYS 18 11.869 2.906 -3.728
138 1HZ LYS 18 1HZ LYS 18 12.379 2.123 -1.556
139 2HZ LYS 18 2HZ LYS 18 13.593 1.168 -2.128
140 3HZ LYS 18 3HZ LYS 18 13.700 2.804 -2.268
141 H LEU 19 H LEU 19 13.916 -2.429 -0.695
142 HA LEU 19 HA LEU 19 16.745 -2.558 -1.016
143 1HB LEU 19 1HB LEU 19 16.889 -2.516 1.372
144 2HB LEU 19 2HB LEU 19 15.717 -1.370 0.757
145 HG LEU 19 HG LEU 19 14.012 -3.404 1.333
146 1HD1 LEU 19 1HD1 LEU 19 15.854 -4.862 2.285
147 2HD1 LEU 19 2HD1 LEU 19 16.200 -3.588 3.462
148 3HD1 LEU 19 3HD1 LEU 19 14.632 -4.418 3.482
149 1HD2 LEU 19 1HD2 LEU 19 13.850 -1.063 2.101
150 2HD2 LEU 19 2HD2 LEU 19 13.518 -2.206 3.415
151 3HD2 LEU 19 3HD2 LEU 19 15.089 -1.378 3.331
152 H GLN 20 H GLN 20 14.439 -5.007 0.184
153 HA GLN 20 HA GLN 20 14.432 -7.211 0.296
154 1HB GLN 20 1HB GLN 20 14.109 -6.615 -2.054
155 2HB GLN 20 2HB GLN 20 15.805 -6.954 -2.407
156 1HG GLN 20 1HG GLN 20 15.442 -9.316 -1.641
157 2HG GLN 20 2HG GLN 20 13.750 -8.929 -1.293
158 1HE2 GLN 20 2HE2 GLN 20 12.544 -7.847 -3.250
159 2HE2 GLN 20 1HE2 GLN 20 12.810 -8.615 -4.800
160 H THR 21 H THR 21 17.563 -7.202 -1.419
161 HA THR 21 HA THR 21 18.623 -9.189 0.463
162 HB THR 21 HB THR 21 20.446 -9.346 -1.185
163 HG1 THR 21 HG1 THR 21 20.263 -8.097 -3.084
164 1HG2 THR 21 1HG2 THR 21 18.348 -10.658 -1.530
165 2HG2 THR 21 2HG2 THR 21 17.730 -9.356 -2.572
166 3HG2 THR 21 3HG2 THR 21 19.183 -10.254 -3.042
167 H TYR 22 H TYR 22 18.520 -5.833 0.528
168 HA TYR 22 HA TYR 22 21.144 -5.041 0.927
169 1HB TYR 22 1HB TYR 22 19.240 -3.573 0.507
170 2HB TYR 22 2HB TYR 22 18.623 -3.861 2.124
171 HD1 TYR 22 HD1 TYR 22 21.589 -2.537 0.253
172 HD2 TYR 22 HD2 TYR 22 19.290 -2.441 3.897
173 HE1 TYR 22 HE1 TYR 22 22.881 -0.565 1.016
174 HE2 TYR 22 HE2 TYR 22 20.586 -0.470 4.661
175 HH TYR 22 HH TYR 22 23.221 0.964 2.700
176 HA PRO 23 HA PRO 23 20.716 -5.978 5.659
177 1HB PRO 23 1HB PRO 23 18.879 -8.359 5.554
178 2HB PRO 23 2HB PRO 23 19.006 -7.103 6.820
179 1HG PRO 23 1HG PRO 23 16.940 -7.067 5.072
180 2HG PRO 23 2HG PRO 23 17.801 -5.537 5.439
181 1HD PRO 23 1HD PRO 23 18.296 -7.422 3.112
182 2HD PRO 23 2HD PRO 23 17.944 -5.673 3.061
183 H ARG 24 H ARG 24 21.215 -8.240 6.922
184 HA ARG 24 HA ARG 24 22.674 -9.904 7.231
185 1HB ARG 24 1HB ARG 24 22.541 -10.550 4.266
186 2HB ARG 24 2HB ARG 24 23.074 -11.598 5.572
187 1HG ARG 24 1HG ARG 24 20.222 -10.566 5.241
188 2HG ARG 24 2HG ARG 24 20.822 -12.144 4.736
189 1HD ARG 24 1HD ARG 24 21.409 -12.717 7.054
190 2HD ARG 24 2HD ARG 24 20.801 -11.161 7.626
191 HE ARG 24 HE ARG 24 19.279 -13.508 6.804
192 1HH1 ARG 24 1HH1 ARG 24 17.014 -13.474 6.930
193 2HH1 ARG 24 2HH1 ARG 24 16.166 -11.971 7.207
194 1HH2 ARG 24 1HH2 ARG 24 19.076 -9.987 7.364
195 2HH2 ARG 24 2HH2 ARG 24 17.331 -10.004 7.443
196 H THR 25 H THR 25 23.477 -7.099 5.967
197 HA THR 25 HA THR 25 26.280 -7.532 6.345
198 HB THR 25 HB THR 25 26.246 -8.340 4.073
199 HG1 THR 25 HG1 THR 25 27.705 -6.829 3.229
200 1HG2 THR 25 1HG2 THR 25 24.176 -7.167 3.237
201 2HG2 THR 25 2HG2 THR 25 25.132 -5.670 3.143
202 3HG2 THR 25 3HG2 THR 25 25.575 -7.066 2.159
203 H ASP 26 H ASP 26 23.850 -5.265 4.906
204 HA ASP 26 HA ASP 26 25.277 -2.948 6.005
205 1HB ASP 26 1HB ASP 26 22.609 -3.182 4.557
206 2HB ASP 26 2HB ASP 26 23.395 -1.677 5.050
207 H VAL 27 H VAL 27 21.875 -4.085 6.325
208 HA VAL 27 HA VAL 27 21.578 -2.834 8.939
209 HB VAL 27 HB VAL 27 19.732 -4.675 7.362
210 1HG1 VAL 27 1HG1 VAL 27 19.197 -2.904 9.785
211 2HG1 VAL 27 2HG1 VAL 27 17.961 -3.755 8.836
212 3HG1 VAL 27 3HG1 VAL 27 19.152 -4.679 9.756
213 1HG2 VAL 27 1HG2 VAL 27 19.782 -1.635 7.623
214 2HG2 VAL 27 2HG2 VAL 27 20.186 -2.562 6.163
215 3HG2 VAL 27 3HG2 VAL 27 18.534 -2.587 6.790
216 H GLY 28 H GLY 28 21.877 -6.149 7.601
217 1HA GLY 28 1HA GLY 28 22.788 -8.017 8.666
218 2HA GLY 28 2HA GLY 28 22.694 -7.227 10.240
219 H ALA 29 H ALA 29 20.664 -7.059 11.288
220 HA ALA 29 HA ALA 29 18.642 -7.600 12.012
221 1HB ALA 29 1HB ALA 29 17.806 -6.790 9.853
222 2HB ALA 29 2HB ALA 29 17.913 -8.426 9.174
223 3HB ALA 29 3HB ALA 29 16.814 -8.099 10.519
224 H GLY 30 H GLY 30 19.287 -10.224 9.612
225 1HA GLY 30 1HA GLY 30 19.347 -12.497 9.840
226 2HA GLY 30 2HA GLY 30 19.710 -12.283 11.560
227 H THR 31 H THR 31 16.916 -11.376 9.488
228 HA THR 31 HA THR 31 15.039 -12.978 11.161
229 HB THR 31 HB THR 31 14.749 -10.019 10.515
230 HG1 THR 31 HG1 THR 31 14.971 -9.823 12.762
231 1HG2 THR 31 1HG2 THR 31 13.016 -11.934 12.153
232 2HG2 THR 31 2HG2 THR 31 12.775 -10.181 12.011
233 3HG2 THR 31 3HG2 THR 31 12.562 -11.218 10.592
234 HA PRO 32 HA PRO 32 14.465 -13.728 6.637
235 1HB PRO 32 1HB PRO 32 13.080 -16.084 7.939
236 2HB PRO 32 2HB PRO 32 14.048 -16.044 6.436
237 1HG PRO 32 1HG PRO 32 15.177 -16.933 8.725
238 2HG PRO 32 2HG PRO 32 16.082 -15.776 7.699
239 1HD PRO 32 1HD PRO 32 14.455 -15.176 10.186
240 2HD PRO 32 2HD PRO 32 16.100 -14.623 9.748
241 H1 NAG 33 H1 NAG 33 -4.610 2.888 -0.641
242 H2 NAG 33 H2 NAG 33 -6.738 4.292 -2.328
243 H3 NAG 33 H3 NAG 33 -4.274 2.774 -3.268
244 H4 NAG 33 H4 NAG 33 -5.016 5.727 -3.301
245 H5 NAG 33 H5 NAG 33 -2.913 4.102 -1.793
246 1H6 NAG 33 1H6 NAG 33 -2.312 6.223 -0.675
247 2H6 NAG 33 2H6 NAG 33 -3.298 7.125 -1.836
248 1H8 NAG 33 1H8 NAG 33 -7.968 -0.071 -1.381
249 2H8 NAG 33 2H8 NAG 33 -9.563 0.604 -1.772
250 3H8 NAG 33 3H8 NAG 33 -8.391 0.292 -3.070
251 HN2 NAG 33 HN2 NAG 33 -6.137 1.412 -2.567
252 HO3 NAG 33 HO3 NAG 33 -6.155 2.641 -4.626
253 HO6 NAG 33 HO6 NAG 33 -1.040 7.019 -2.342
254 H1 NAG 34 H1 NAG 34 -2.444 6.297 -5.723
255 H2 NAG 34 H2 NAG 34 -5.488 6.068 -5.581
256 H3 NAG 34 H3 NAG 34 -3.655 7.465 -7.581
257 H4 NAG 34 H4 NAG 34 -5.614 8.507 -5.508
258 H5 NAG 34 H5 NAG 34 -2.558 8.622 -5.528
259 1H6 NAG 34 1H6 NAG 34 -4.637 9.686 -3.562
260 2H6 NAG 34 2H6 NAG 34 -3.516 10.668 -4.540
261 1H8 NAG 34 1H8 NAG 34 -4.503 3.338 -9.209
262 2H8 NAG 34 2H8 NAG 34 -2.736 3.152 -9.229
263 3H8 NAG 34 3H8 NAG 34 -3.683 2.479 -7.884
264 HN2 NAG 34 HN2 NAG 34 -5.246 4.279 -6.932
265 HO3 NAG 34 HO3 NAG 34 -6.513 7.320 -7.358
266 HO6 NAG 34 HO6 NAG 34 -2.805 10.270 -2.369
267 H1 MAN 35 H1 MAN 35 -3.734 9.389 -8.549
268 H2 MAN 35 H2 MAN 35 -5.020 11.434 -8.957
269 H3 MAN 35 H3 MAN 35 -2.967 11.199 -10.206
270 H4 MAN 35 H4 MAN 35 -1.577 12.614 -7.893
271 H5 MAN 35 H5 MAN 35 -1.447 9.716 -8.861
272 1H6 MAN 35 1H6 MAN 35 0.743 10.573 -8.002
273 2H6 MAN 35 2H6 MAN 35 0.021 9.289 -7.004
274 HO2 MAN 35 HO2 MAN 35 -4.403 13.364 -7.810
275 HO4 MAN 35 HO4 MAN 35 0.273 12.165 -9.177
276 H1 MAN 36 H1 MAN 36 1.714 10.190 -5.804
277 H2 MAN 36 H2 MAN 36 0.273 10.266 -3.757
278 H3 MAN 36 H3 MAN 36 -0.621 12.509 -3.921
279 H4 MAN 36 H4 MAN 36 2.228 13.497 -3.537
280 H5 MAN 36 H5 MAN 36 0.433 13.587 -6.014
281 1H6 MAN 36 1H6 MAN 36 1.854 15.570 -5.829
282 2H6 MAN 36 2H6 MAN 36 2.426 14.499 -7.133
283 HO2 MAN 36 HO2 MAN 36 2.564 9.974 -3.676
284 HO4 MAN 36 HO4 MAN 36 -0.246 14.848 -4.056
285 H1 MAN 37 H1 MAN 37 -3.125 12.730 -11.877
286 H2 MAN 37 H2 MAN 37 -2.632 15.159 -11.546
287 H3 MAN 37 H3 MAN 37 -4.262 15.648 -9.812
288 H4 MAN 37 H4 MAN 37 -6.386 15.163 -11.942
289 H5 MAN 37 H5 MAN 37 -5.706 13.566 -9.427
290 1H6 MAN 37 1H6 MAN 37 -7.289 11.894 -10.418
291 2H6 MAN 37 2H6 MAN 37 -7.778 13.113 -11.617
292 HO3 MAN 37 HO3 MAN 37 -5.182 17.535 -10.787
293 HO4 MAN 37 HO4 MAN 37 -6.854 16.794 -10.366
294 HO6 MAN 37 HO6 MAN 37 -7.958 13.356 -8.787
295 H1 MAN 38 H1 MAN 38 4.315 15.775 -6.888
296 H2 MAN 38 H2 MAN 38 6.125 14.243 -6.054
297 H3 MAN 38 H3 MAN 38 5.546 14.172 -3.702
298 H4 MAN 38 H4 MAN 38 6.317 17.116 -3.603
299 H5 MAN 38 H5 MAN 38 3.581 15.777 -3.334
300 1H6 MAN 38 1H6 MAN 38 3.756 17.767 -1.903
301 2H6 MAN 38 2H6 MAN 38 2.680 18.048 -3.286
302 HO2 MAN 38 HO2 MAN 38 6.530 17.052 -5.647
303 HO3 MAN 38 HO3 MAN 38 7.642 14.677 -2.843
304 HO4 MAN 38 HO4 MAN 38 5.567 16.882 -1.438
305 HO6 MAN 38 HO6 MAN 38 5.389 18.873 -3.061
306 H1 MAN 39 H1 MAN 39 -1.652 11.887 -2.021
307 H2 MAN 39 H2 MAN 39 -1.052 13.367 -0.084
308 H3 MAN 39 H3 MAN 39 1.093 12.424 0.532
309 H4 MAN 39 H4 MAN 39 -0.440 9.899 1.282
310 H5 MAN 39 H5 MAN 39 1.541 10.458 -0.975
311 1H6 MAN 39 1H6 MAN 39 1.781 8.162 -0.146
312 2H6 MAN 39 2H6 MAN 39 1.007 8.186 -1.745
313 HO2 MAN 39 HO2 MAN 39 -2.910 11.982 -0.119
314 HO3 MAN 39 HO3 MAN 39 -0.888 11.892 2.534
315 HO4 MAN 39 HO4 MAN 39 2.352 10.556 1.299
316 HO6 MAN 39 HO6 MAN 39 -0.062 6.790 -0.283
317 H1 MAN 40 H1 MAN 40 -2.121 14.482 -13.763
318 H2 MAN 40 H2 MAN 40 -2.373 16.873 -12.939
319 H3 MAN 40 H3 MAN 40 -4.584 17.343 -13.842
320 H4 MAN 40 H4 MAN 40 -3.305 17.137 -16.596
321 H5 MAN 40 H5 MAN 40 -5.343 15.318 -15.221
322 1H6 MAN 40 1H6 MAN 40 -5.691 15.458 -17.661
323 2H6 MAN 40 2H6 MAN 40 -5.064 13.869 -17.174
324 HO2 MAN 40 HO2 MAN 40 -1.596 16.485 -15.668
325 HO3 MAN 40 HO3 MAN 40 -3.063 19.086 -13.662
326 HO4 MAN 40 HO4 MAN 40 -6.001 17.579 -15.724
327 HO6 MAN 40 HO6 MAN 40 -3.983 14.724 -19.007
328 1HN NH2 41 1HN NH2 41 10.643 -13.520 8.315
329 2HN NH2 41 2HN NH2 41 11.943 -14.305 9.187
Start of MODEL 3
1 1H CYS 1 1H CYS 1 -5.150 7.517 -1.825
2 2H CYS 1 2H CYS 1 -3.995 8.676 -1.624
3 3H CYS 1 3H CYS 1 -3.566 7.161 -2.114
4 HA CYS 1 HA CYS 1 -4.251 6.216 -0.069
5 1HB CYS 1 1HB CYS 1 -1.924 7.032 -0.425
6 2HB CYS 1 2HB CYS 1 -2.367 8.565 0.316
7 H SER 2 H SER 2 -6.588 7.214 -0.253
8 HA SER 2 HA SER 2 -7.237 9.475 1.408
9 1HB SER 2 1HB SER 2 -8.942 7.139 0.422
10 2HB SER 2 2HB SER 2 -9.551 8.636 1.161
11 HG SER 2 HG SER 2 -9.544 8.685 -1.132
12 H ASN 3 H ASN 3 -7.727 5.971 1.814
13 HA ASN 3 HA ASN 3 -7.831 6.057 4.746
14 1HB ASN 3 1HB ASN 3 -7.985 3.577 4.491
15 2HB ASN 3 2HB ASN 3 -9.208 4.436 3.553
16 1HD2 ASN 3 1HD2 ASN 3 -9.142 4.428 1.326
17 H LEU 4 H LEU 4 -6.357 4.298 5.789
18 HA LEU 4 HA LEU 4 -3.571 4.392 4.748
19 1HB LEU 4 1HB LEU 4 -2.769 4.725 7.023
20 2HB LEU 4 2HB LEU 4 -3.671 6.107 6.430
21 HG LEU 4 HG LEU 4 -5.200 4.071 8.057
22 1HD1 LEU 4 1HD1 LEU 4 -3.248 6.080 9.252
23 2HD1 LEU 4 2HD1 LEU 4 -4.440 5.121 10.156
24 3HD1 LEU 4 3HD1 LEU 4 -3.107 4.309 9.320
25 1HD2 LEU 4 1HD2 LEU 4 -5.197 7.126 7.992
26 2HD2 LEU 4 2HD2 LEU 4 -6.371 6.089 7.160
27 3HD2 LEU 4 3HD2 LEU 4 -6.303 6.101 8.924
28 H SER 5 H SER 5 -5.234 2.347 4.126
29 HA SER 5 HA SER 5 -4.425 0.123 5.957
30 1HB SER 5 1HB SER 5 -6.379 -1.085 5.089
31 2HB SER 5 2HB SER 5 -6.816 0.397 5.955
32 HG SER 5 HG SER 5 -6.999 1.412 3.878
33 H THR 6 H THR 6 -5.606 0.047 2.592
34 HA THR 6 HA THR 6 -3.569 -1.755 1.748
35 HB THR 6 HB THR 6 -5.837 -1.540 0.755
36 HG1 THR 6 HG1 THR 6 -5.060 -1.862 -1.362
37 1HG2 THR 6 1HG2 THR 6 -5.877 0.986 0.593
38 2HG2 THR 6 2HG2 THR 6 -4.722 0.870 -0.751
39 3HG2 THR 6 3HG2 THR 6 -6.323 0.129 -0.895
40 H CYS 7 H CYS 7 -3.792 1.772 1.787
41 HA CYS 7 HA CYS 7 -1.603 2.431 0.108
42 1HB CYS 7 1HB CYS 7 -3.184 4.094 0.836
43 2HB CYS 7 2HB CYS 7 -2.823 3.781 2.537
44 H VAL 8 H VAL 8 -1.759 1.890 3.679
45 HA VAL 8 HA VAL 8 1.034 2.257 4.116
46 HB VAL 8 HB VAL 8 -1.146 0.926 5.765
47 1HG1 VAL 8 1HG2 VAL 8 1.737 1.572 6.526
48 2HG1 VAL 8 2HG2 VAL 8 0.448 1.174 7.681
49 3HG1 VAL 8 3HG2 VAL 8 0.976 -0.035 6.509
50 1HG2 VAL 8 1HG1 VAL 8 -1.370 3.381 5.377
51 2HG2 VAL 8 2HG1 VAL 8 -0.985 3.019 7.069
52 3HG2 VAL 8 3HG1 VAL 8 0.280 3.621 5.981
53 H LEU 9 H LEU 9 -0.939 -0.750 3.787
54 HA LEU 9 HA LEU 9 1.180 -2.590 4.102
55 1HB LEU 9 1HB LEU 9 -1.400 -2.732 2.503
56 2HB LEU 9 2HB LEU 9 -0.353 -4.128 2.780
57 HG LEU 9 HG LEU 9 -1.568 -2.510 5.066
58 1HD1 LEU 9 1HD1 LEU 9 -3.370 -3.452 3.672
59 2HD1 LEU 9 2HD1 LEU 9 -2.605 -5.054 3.750
60 3HD1 LEU 9 3HD1 LEU 9 -3.255 -4.300 5.223
61 1HD2 LEU 9 1HD2 LEU 9 -0.325 -5.294 4.935
62 2HD2 LEU 9 2HD2 LEU 9 0.377 -3.870 5.735
63 3HD2 LEU 9 3HD2 LEU 9 -1.114 -4.583 6.357
64 H GLY 10 H GLY 10 -0.067 -1.000 1.143
65 1HA GLY 10 1HA GLY 10 1.611 -2.270 -0.751
66 2HA GLY 10 2HA GLY 10 0.823 -0.693 -0.917
67 H LYS 11 H LYS 11 2.029 0.748 1.165
68 HA LYS 11 HA LYS 11 4.432 1.628 -0.042
69 1HB LYS 11 1HB LYS 11 2.873 2.986 1.299
70 2HB LYS 11 2HB LYS 11 3.393 2.140 2.774
71 1HG LYS 11 1HG LYS 11 5.761 2.943 2.223
72 2HG LYS 11 2HG LYS 11 5.043 3.937 0.951
73 1HD LYS 11 1HD LYS 11 4.498 4.103 3.958
74 2HD LYS 11 2HD LYS 11 5.459 5.214 2.980
75 1HE LYS 11 1HE LYS 11 3.478 6.377 3.193
76 2HE LYS 11 2HE LYS 11 3.263 5.609 1.613
77 1HZ LYS 11 1HZ LYS 11 2.195 4.657 4.188
78 2HZ LYS 11 2HZ LYS 11 1.337 5.451 3.029
79 3HZ LYS 11 3HZ LYS 11 1.922 3.943 2.730
80 H LEU 12 H LEU 12 3.870 -0.273 2.974
81 HA LEU 12 HA LEU 12 6.588 -0.662 3.680
82 1HB LEU 12 1HB LEU 12 4.106 -2.350 4.164
83 2HB LEU 12 2HB LEU 12 5.663 -2.658 4.941
84 HG LEU 12 HG LEU 12 4.178 -0.009 5.203
85 1HD1 LEU 12 1HD1 LEU 12 2.792 -1.846 6.096
86 2HD1 LEU 12 2HD1 LEU 12 4.163 -2.416 7.072
87 3HD1 LEU 12 3HD1 LEU 12 3.428 -0.832 7.404
88 1HD2 LEU 12 1HD2 LEU 12 6.456 -1.260 6.802
89 2HD2 LEU 12 2HD2 LEU 12 6.575 0.162 5.743
90 3HD2 LEU 12 3HD2 LEU 12 5.613 0.244 7.221
91 H SER 13 H SER 13 4.373 -2.708 1.731
92 HA SER 13 HA SER 13 6.159 -4.802 1.166
93 1HB SER 13 1HB SER 13 3.747 -4.902 0.739
94 2HB SER 13 2HB SER 13 3.901 -3.690 -0.550
95 HG SER 13 HG SER 13 5.173 -6.227 -0.473
96 H GLN 14 H GLN 14 5.640 -1.706 -0.578
97 HA GLN 14 HA GLN 14 7.374 -2.216 -2.759
98 1HB GLN 14 1HB GLN 14 5.648 -0.480 -2.740
99 2HB GLN 14 2HB GLN 14 6.525 0.415 -1.488
100 1HG GLN 14 1HG GLN 14 8.430 0.740 -3.046
101 2HG GLN 14 2HG GLN 14 7.589 -0.226 -4.272
102 1HE2 GLN 14 2HE2 GLN 14 7.074 2.655 -2.142
103 2HE2 GLN 14 1HE2 GLN 14 6.207 3.594 -3.337
104 H GLU 15 H GLU 15 7.954 -0.545 0.385
105 HA GLU 15 HA GLU 15 10.659 0.171 -0.075
106 1HB GLU 15 1HB GLU 15 9.065 -0.353 2.458
107 2HB GLU 15 2HB GLU 15 10.731 0.247 2.469
108 1HG GLU 15 1HG GLU 15 10.130 2.238 1.247
109 2HG GLU 15 2HG GLU 15 8.480 1.670 0.987
110 H LEU 16 H LEU 16 9.244 -2.721 1.531
111 HA LEU 16 HA LEU 16 11.690 -3.983 2.210
112 1HB LEU 16 1HB LEU 16 8.904 -5.054 1.643
113 2HB LEU 16 2HB LEU 16 10.216 -6.075 2.237
114 HG LEU 16 HG LEU 16 9.317 -3.578 3.737
115 1HD1 LEU 16 1HD1 LEU 16 7.394 -5.112 3.499
116 2HD1 LEU 16 2HD1 LEU 16 8.385 -6.455 4.107
117 3HD1 LEU 16 3HD1 LEU 16 7.990 -5.083 5.166
118 1HD2 LEU 16 1HD2 LEU 16 10.875 -6.060 4.587
119 2HD2 LEU 16 2HD2 LEU 16 11.545 -4.427 4.386
120 3HD2 LEU 16 3HD2 LEU 16 10.362 -4.742 5.659
121 H HIS 17 H HIS 17 9.622 -4.295 -0.725
122 HA HIS 17 HA HIS 17 11.241 -6.253 -2.004
123 1HB HIS 17 1HB HIS 17 8.935 -5.829 -2.659
124 2HB HIS 17 2HB HIS 17 9.347 -4.182 -3.165
125 HD1 HIS 17 HD1 HIS 17 10.666 -7.718 -3.964
126 HD2 HIS 17 HD2 HIS 17 9.834 -4.074 -5.862
127 HE1 HIS 17 HE1 HIS 17 11.204 -8.008 -6.430
128 H LYS 18 H LYS 18 11.352 -2.673 -1.992
129 HA LYS 18 HA LYS 18 13.167 -2.358 -4.131
130 1HB LYS 18 1HB LYS 18 11.799 -0.513 -3.279
131 2HB LYS 18 2HB LYS 18 12.583 -0.608 -1.711
132 1HG LYS 18 1HG LYS 18 13.424 1.276 -2.988
133 2HG LYS 18 2HG LYS 18 14.700 0.127 -2.611
134 1HD LYS 18 1HD LYS 18 14.984 0.991 -4.822
135 2HD LYS 18 2HD LYS 18 14.641 -0.732 -4.948
136 1HE LYS 18 1HE LYS 18 12.435 1.360 -5.234
137 2HE LYS 18 2HE LYS 18 13.505 0.963 -6.585
138 1HZ LYS 18 1HZ LYS 18 12.840 -1.299 -6.428
139 2HZ LYS 18 2HZ LYS 18 11.802 -0.965 -5.195
140 3HZ LYS 18 3HZ LYS 18 11.543 -0.315 -6.684
141 H LEU 19 H LEU 19 13.829 -2.247 -0.563
142 HA LEU 19 HA LEU 19 16.645 -2.191 -0.931
143 1HB LEU 19 1HB LEU 19 16.841 -2.421 1.435
144 2HB LEU 19 2HB LEU 19 15.536 -1.320 1.014
145 HG LEU 19 HG LEU 19 14.029 -3.515 1.322
146 1HD1 LEU 19 1HD1 LEU 19 15.961 -5.050 1.853
147 2HD1 LEU 19 2HD1 LEU 19 16.371 -4.009 3.225
148 3HD1 LEU 19 3HD1 LEU 19 14.833 -4.892 3.202
149 1HD2 LEU 19 1HD2 LEU 19 15.136 -1.858 3.621
150 2HD2 LEU 19 2HD2 LEU 19 13.778 -1.408 2.568
151 3HD2 LEU 19 3HD2 LEU 19 13.631 -2.803 3.649
152 H GLN 20 H GLN 20 14.376 -4.920 -0.641
153 HA GLN 20 HA GLN 20 16.283 -7.000 -0.323
154 1HB GLN 20 1HB GLN 20 13.979 -7.398 0.046
155 2HB GLN 20 2HB GLN 20 13.522 -6.906 -1.588
156 1HG GLN 20 1HG GLN 20 15.387 -9.261 -1.140
157 2HG GLN 20 2HG GLN 20 13.639 -9.432 -0.952
158 1HE2 GLN 20 2HE2 GLN 20 16.155 -9.563 -3.240
159 2HE2 GLN 20 1HE2 GLN 20 15.165 -9.526 -4.683
160 H THR 21 H THR 21 14.852 -5.546 -3.301
161 HA THR 21 HA THR 21 16.845 -6.902 -4.998
162 HB THR 21 HB THR 21 14.683 -4.940 -5.842
163 HG1 THR 21 HG1 THR 21 13.393 -6.775 -6.108
164 1HG2 THR 21 1HG2 THR 21 16.016 -7.307 -7.258
165 2HG2 THR 21 2HG2 THR 21 14.741 -6.275 -7.933
166 3HG2 THR 21 3HG2 THR 21 16.345 -5.602 -7.620
167 H TYR 22 H TYR 22 18.040 -5.262 -3.127
168 HA TYR 22 HA TYR 22 19.620 -3.810 -2.846
169 1HB TYR 22 1HB TYR 22 19.621 -3.261 -5.827
170 2HB TYR 22 2HB TYR 22 20.865 -2.827 -4.663
171 HD1 TYR 22 HD1 TYR 22 22.286 -4.556 -3.590
172 HD2 TYR 22 HD2 TYR 22 19.494 -5.517 -6.732
173 HE1 TYR 22 HE1 TYR 22 23.496 -6.676 -4.021
174 HE2 TYR 22 HE2 TYR 22 20.682 -7.651 -7.133
175 HH TYR 22 HH TYR 22 23.586 -8.608 -5.262
176 HA PRO 23 HA PRO 23 17.256 0.069 -2.496
177 1HB PRO 23 1HB PRO 23 19.116 1.601 -1.181
178 2HB PRO 23 2HB PRO 23 18.127 0.343 -0.387
179 1HG PRO 23 1HG PRO 23 20.967 0.090 -1.393
180 2HG PRO 23 2HG PRO 23 20.303 -0.432 0.179
181 1HD PRO 23 1HD PRO 23 20.637 -2.144 -1.902
182 2HD PRO 23 2HD PRO 23 19.242 -2.310 -0.792
183 H ARG 24 H ARG 24 20.704 -0.039 -3.469
184 HA ARG 24 HA ARG 24 20.374 1.934 -5.639
185 1HB ARG 24 1HB ARG 24 22.592 0.063 -4.724
186 2HB ARG 24 2HB ARG 24 22.709 1.024 -6.196
187 1HG ARG 24 1HG ARG 24 22.207 2.253 -3.446
188 2HG ARG 24 2HG ARG 24 23.816 1.963 -4.106
189 1HD ARG 24 1HD ARG 24 21.704 3.764 -5.353
190 2HD ARG 24 2HD ARG 24 23.140 4.290 -4.478
191 HE ARG 24 HE ARG 24 22.958 3.402 -7.226
192 1HH1 ARG 24 1HH2 ARG 24 25.223 3.603 -4.476
193 2HH1 ARG 24 2HH2 ARG 24 26.632 3.488 -5.502
194 1HH2 ARG 24 1HH1 ARG 24 24.819 3.237 -8.512
195 2HH2 ARG 24 2HH1 ARG 24 26.407 3.284 -7.781
196 H THR 25 H THR 25 18.608 0.955 -6.793
197 HA THR 25 HA THR 25 18.635 -1.734 -7.766
198 HB THR 25 HB THR 25 17.037 -0.851 -9.474
199 HG1 THR 25 HG1 THR 25 16.421 1.334 -9.239
200 1HG2 THR 25 1HG2 THR 25 16.258 -1.591 -7.235
201 2HG2 THR 25 2HG2 THR 25 16.478 0.062 -6.618
202 3HG2 THR 25 3HG2 THR 25 15.272 -0.265 -7.880
203 H ASP 26 H ASP 26 19.762 -2.645 -9.382
204 HA ASP 26 HA ASP 26 21.538 -3.022 -10.685
205 1HB ASP 26 1HB ASP 26 20.405 -1.634 -12.386
206 2HB ASP 26 2HB ASP 26 21.221 -0.190 -11.779
207 H VAL 27 H VAL 27 22.588 -3.222 -8.668
208 HA VAL 27 HA VAL 27 23.477 -1.086 -7.142
209 HB VAL 27 HB VAL 27 22.980 -3.291 -6.283
210 1HG1 VAL 27 1HG1 VAL 27 24.019 -4.714 -8.039
211 2HG1 VAL 27 2HG1 VAL 27 25.631 -4.233 -7.465
212 3HG1 VAL 27 3HG1 VAL 27 24.551 -5.156 -6.412
213 1HG2 VAL 27 1HG2 VAL 27 24.393 -1.717 -4.980
214 2HG2 VAL 27 2HG2 VAL 27 24.721 -3.420 -4.602
215 3HG2 VAL 27 3HG2 VAL 27 25.849 -2.508 -5.620
216 H GLY 28 H GLY 28 25.246 0.036 -6.856
217 1HA GLY 28 1HA GLY 28 27.749 -0.564 -8.383
218 2HA GLY 28 2HA GLY 28 27.154 1.078 -8.077
219 H ALA 29 H ALA 29 26.280 1.069 -5.535
220 HA ALA 29 HA ALA 29 28.090 -0.278 -3.686
221 1HB ALA 29 1HB ALA 29 28.182 2.757 -4.001
222 2HB ALA 29 2HB ALA 29 28.927 1.825 -2.683
223 3HB ALA 29 3HB ALA 29 29.499 1.620 -4.347
224 H GLY 30 H GLY 30 25.951 -1.155 -3.228
225 1HA GLY 30 1HA GLY 30 24.679 0.155 -1.007
226 2HA GLY 30 2HA GLY 30 23.671 0.255 -2.460
227 H THR 31 H THR 31 25.135 -1.879 -0.095
228 HA THR 31 HA THR 31 24.391 -4.373 -1.130
229 HB THR 31 HB THR 31 26.048 -3.975 0.646
230 HG1 THR 31 HG1 THR 31 25.099 -6.017 0.418
231 1HG2 THR 31 1HG2 THR 31 24.799 -2.269 1.996
232 2HG2 THR 31 2HG2 THR 31 23.687 -3.548 2.536
233 3HG2 THR 31 3HG2 THR 31 25.403 -3.624 2.964
234 HA PRO 32 HA PRO 32 20.000 -4.573 -0.616
235 1HB PRO 32 1HB PRO 32 20.449 -7.237 0.758
236 2HB PRO 32 2HB PRO 32 19.216 -6.807 -0.464
237 1HG PRO 32 1HG PRO 32 21.458 -8.081 -1.250
238 2HG PRO 32 2HG PRO 32 20.895 -6.656 -2.175
239 1HD PRO 32 1HD PRO 32 23.043 -6.778 -0.047
240 2HD PRO 32 2HD PRO 32 23.107 -6.010 -1.659
241 H1 NAG 33 H1 NAG 33 -6.880 3.064 -0.058
242 H2 NAG 33 H2 NAG 33 -9.868 2.776 -0.636
243 H3 NAG 33 H3 NAG 33 -7.467 1.552 -2.055
244 H4 NAG 33 H4 NAG 33 -9.361 3.699 -3.076
245 H5 NAG 33 H5 NAG 33 -6.460 4.003 -2.175
246 1H6 NAG 33 1H6 NAG 33 -7.085 5.558 -4.000
247 2H6 NAG 33 2H6 NAG 33 -6.829 6.397 -2.456
248 1H8 NAG 33 1H8 NAG 33 -9.297 -0.481 2.324
249 2H8 NAG 33 2H8 NAG 33 -10.441 -1.465 1.385
250 3H8 NAG 33 3H8 NAG 33 -8.723 -1.425 0.929
251 HN2 NAG 33 HN2 NAG 33 -7.906 0.977 0.657
252 HO3 NAG 33 HO3 NAG 33 -10.289 1.560 -2.583
253 HO6 NAG 33 HO6 NAG 33 -9.330 5.675 -3.584
254 H1 NAG 34 H1 NAG 34 -9.111 1.666 -4.960
255 H2 NAG 34 H2 NAG 34 -6.519 2.359 -6.421
256 H3 NAG 34 H3 NAG 34 -8.813 0.650 -7.436
257 H4 NAG 34 H4 NAG 34 -6.145 -0.477 -6.535
258 H5 NAG 34 H5 NAG 34 -8.735 -0.555 -4.928
259 1H6 NAG 34 1H6 NAG 34 -5.897 -1.456 -4.266
260 2H6 NAG 34 2H6 NAG 34 -7.280 -2.524 -4.610
261 1H8 NAG 34 1H8 NAG 34 -9.828 4.439 -8.872
262 2H8 NAG 34 2H8 NAG 34 -9.132 5.706 -7.833
263 3H8 NAG 34 3H8 NAG 34 -8.485 5.433 -9.465
264 HN2 NAG 34 HN2 NAG 34 -9.329 3.238 -6.752
265 HO3 NAG 34 HO3 NAG 34 -7.422 1.655 -8.965
266 HO6 NAG 34 HO6 NAG 34 -8.331 -1.554 -2.802
267 H1 MAN 35 H1 MAN 35 -6.566 -1.777 -8.730
268 H2 MAN 35 H2 MAN 35 -7.199 -4.095 -8.162
269 H3 MAN 35 H3 MAN 35 -6.799 -3.609 -10.471
270 H4 MAN 35 H4 MAN 35 -9.741 -2.897 -10.816
271 H5 MAN 35 H5 MAN 35 -7.255 -1.136 -10.802
272 1H6 MAN 35 1H6 MAN 35 -10.145 -0.219 -10.843
273 2H6 MAN 35 2H6 MAN 35 -9.188 -0.472 -12.330
274 HO2 MAN 35 HO2 MAN 35 -9.257 -3.548 -7.231
275 HO4 MAN 35 HO4 MAN 35 -8.986 -2.359 -12.905
276 H1 MAN 36 H1 MAN 36 -10.100 2.303 -10.961
277 H2 MAN 36 H2 MAN 36 -10.276 1.105 -13.157
278 H3 MAN 36 H3 MAN 36 -7.833 0.885 -13.515
279 H4 MAN 36 H4 MAN 36 -7.919 3.863 -14.096
280 H5 MAN 36 H5 MAN 36 -6.555 2.342 -11.816
281 1H6 MAN 36 1H6 MAN 36 -5.379 4.388 -12.531
282 2H6 MAN 36 2H6 MAN 36 -6.099 4.566 -10.914
283 HO2 MAN 36 HO2 MAN 36 -9.753 3.910 -13.322
284 HO4 MAN 36 HO4 MAN 36 -5.796 1.939 -14.056
285 H1 MAN 37 H1 MAN 37 -10.211 -4.898 -10.018
286 H2 MAN 37 H2 MAN 37 -9.385 -7.157 -9.363
287 H3 MAN 37 H3 MAN 37 -7.929 -7.600 -11.255
288 H4 MAN 37 H4 MAN 37 -10.471 -7.746 -12.929
289 H5 MAN 37 H5 MAN 37 -8.225 -5.673 -12.993
290 1H6 MAN 37 1H6 MAN 37 -10.882 -5.850 -14.487
291 2H6 MAN 37 2H6 MAN 37 -9.268 -6.094 -15.198
292 HO3 MAN 37 HO3 MAN 37 -10.185 -9.368 -11.206
293 HO4 MAN 37 HO4 MAN 37 -7.689 -7.936 -13.595
294 HO6 MAN 37 HO6 MAN 37 -10.210 -3.720 -13.961
295 H1 MAN 38 H1 MAN 38 -5.273 6.603 -12.176
296 H2 MAN 38 H2 MAN 38 -6.708 6.807 -10.117
297 H3 MAN 38 H3 MAN 38 -8.887 6.993 -11.188
298 H4 MAN 38 H4 MAN 38 -7.921 9.685 -12.232
299 H5 MAN 38 H5 MAN 38 -8.533 7.083 -13.719
300 1H6 MAN 38 1H6 MAN 38 -9.110 9.072 -15.047
301 2H6 MAN 38 2H6 MAN 38 -7.678 8.247 -15.695
302 HO2 MAN 38 HO2 MAN 38 -5.079 8.363 -10.659
303 HO3 MAN 38 HO3 MAN 38 -8.563 8.065 -9.158
304 HO4 MAN 38 HO4 MAN 38 -10.177 9.511 -11.722
305 HO6 MAN 38 HO6 MAN 38 -6.401 9.806 -14.591
306 H1 MAN 39 H1 MAN 39 -9.665 -0.193 -15.046
307 H2 MAN 39 H2 MAN 39 -7.143 -0.486 -14.821
308 H3 MAN 39 H3 MAN 39 -6.455 1.042 -16.585
309 H4 MAN 39 H4 MAN 39 -7.702 -0.952 -18.519
310 H5 MAN 39 H5 MAN 39 -8.556 1.894 -17.798
311 1H6 MAN 39 1H6 MAN 39 -9.025 1.333 -20.159
312 2H6 MAN 39 2H6 MAN 39 -10.511 1.465 -19.194
313 HO2 MAN 39 HO2 MAN 39 -8.562 -2.229 -15.356
314 HO3 MAN 39 HO3 MAN 39 -5.128 -0.804 -16.115
315 HO4 MAN 39 HO4 MAN 39 -6.436 1.592 -18.899
316 HO6 MAN 39 HO6 MAN 39 -9.187 -0.937 -19.934
317 H1 MAN 40 H1 MAN 40 -11.352 -7.768 -8.432
318 H2 MAN 40 H2 MAN 40 -13.114 -8.892 -9.818
319 H3 MAN 40 H3 MAN 40 -13.673 -7.068 -11.321
320 H4 MAN 40 H4 MAN 40 -14.780 -5.639 -8.867
321 H5 MAN 40 H5 MAN 40 -12.355 -5.015 -10.614
322 1H6 MAN 40 1H6 MAN 40 -13.449 -2.971 -9.763
323 2H6 MAN 40 2H6 MAN 40 -11.871 -3.246 -8.999
324 HO2 MAN 40 HO2 MAN 40 -13.322 -8.548 -7.534
325 HO3 MAN 40 HO3 MAN 40 -15.974 -7.137 -11.039
326 HO4 MAN 40 HO4 MAN 40 -15.880 -5.255 -10.870
327 HO6 MAN 40 HO6 MAN 40 -12.998 -4.153 -7.217
328 1HN NH2 41 1HN NH2 41 20.661 -4.946 3.492
329 2HN NH2 41 2HN NH2 41 21.670 -5.814 2.355
Start of MODEL 4
1 1H CYS 1 1H CYS 1 -3.417 8.463 -1.422
2 2H CYS 1 2H CYS 1 -3.671 9.360 -0.061
3 3H CYS 1 3H CYS 1 -2.177 8.733 -0.368
4 HA CYS 1 HA CYS 1 -2.979 6.526 -0.160
5 1HB CYS 1 1HB CYS 1 -3.532 8.404 2.167
6 2HB CYS 1 2HB CYS 1 -3.657 6.657 2.312
7 H SER 2 H SER 2 -5.507 8.892 0.689
8 HA SER 2 HA SER 2 -7.738 8.853 0.626
9 1HB SER 2 1HB SER 2 -7.665 7.535 -1.488
10 2HB SER 2 2HB SER 2 -7.744 6.040 -0.532
11 HG SER 2 HG SER 2 -9.787 6.733 -1.189
12 H ASN 3 H ASN 3 -6.371 5.698 1.662
13 HA ASN 3 HA ASN 3 -7.456 6.110 4.368
14 1HB ASN 3 1HB ASN 3 -8.261 3.752 4.441
15 2HB ASN 3 2HB ASN 3 -9.207 4.777 3.356
16 1HD2 ASN 3 1HD2 ASN 3 -8.985 4.552 1.090
17 H LEU 4 H LEU 4 -6.143 5.289 5.930
18 HA LEU 4 HA LEU 4 -3.431 4.491 5.119
19 1HB LEU 4 1HB LEU 4 -4.629 5.062 7.855
20 2HB LEU 4 2HB LEU 4 -2.912 4.840 7.487
21 HG LEU 4 HG LEU 4 -4.693 7.112 6.487
22 1HD1 LEU 4 1HD1 LEU 4 -4.127 7.231 8.887
23 2HD1 LEU 4 2HD1 LEU 4 -2.401 7.075 8.494
24 3HD1 LEU 4 3HD1 LEU 4 -3.312 8.506 7.964
25 1HD2 LEU 4 1HD2 LEU 4 -1.723 6.568 6.031
26 2HD2 LEU 4 2HD2 LEU 4 -2.994 6.661 4.790
27 3HD2 LEU 4 3HD2 LEU 4 -2.535 8.110 5.687
28 H SER 5 H SER 5 -4.461 2.497 4.186
29 HA SER 5 HA SER 5 -3.935 0.274 6.019
30 1HB SER 5 1HB SER 5 -6.351 0.583 6.351
31 2HB SER 5 2HB SER 5 -6.629 0.565 4.601
32 HG SER 5 HG SER 5 -5.511 -1.541 6.142
33 H THR 6 H THR 6 -5.422 0.922 2.796
34 HA THR 6 HA THR 6 -3.868 -0.999 1.346
35 HB THR 6 HB THR 6 -4.570 0.339 -0.628
36 HG1 THR 6 HG1 THR 6 -5.782 2.032 1.296
37 1HG2 THR 6 1HG2 THR 6 -6.115 -1.360 0.346
38 2HG2 THR 6 2HG2 THR 6 -6.876 -0.087 1.324
39 3HG2 THR 6 3HG2 THR 6 -6.961 -0.024 -0.448
40 H CYS 7 H CYS 7 -3.456 2.465 2.124
41 HA CYS 7 HA CYS 7 -1.146 2.911 0.532
42 1HB CYS 7 1HB CYS 7 -2.836 4.549 1.545
43 2HB CYS 7 2HB CYS 7 -1.902 4.442 3.040
44 H VAL 8 H VAL 8 -1.612 2.000 3.965
45 HA VAL 8 HA VAL 8 1.118 2.190 4.766
46 HB VAL 8 HB VAL 8 -1.244 0.632 5.898
47 1HG1 VAL 8 1HG2 VAL 8 1.502 1.186 7.109
48 2HG1 VAL 8 2HG2 VAL 8 0.099 0.568 8.005
49 3HG1 VAL 8 3HG2 VAL 8 0.818 -0.409 6.722
50 1HG2 VAL 8 1HG1 VAL 8 -1.501 3.114 5.885
51 2HG2 VAL 8 2HG1 VAL 8 -1.329 2.475 7.527
52 3HG2 VAL 8 3HG1 VAL 8 0.048 3.268 6.734
53 H LEU 9 H LEU 9 -0.900 -0.695 3.952
54 HA LEU 9 HA LEU 9 1.195 -2.595 3.985
55 1HB LEU 9 1HB LEU 9 -1.416 -2.499 2.431
56 2HB LEU 9 2HB LEU 9 -0.390 -3.933 2.535
57 HG LEU 9 HG LEU 9 -1.583 -2.570 4.994
58 1HD1 LEU 9 1HD1 LEU 9 -3.376 -3.384 3.500
59 2HD1 LEU 9 2HD1 LEU 9 -2.599 -4.981 3.433
60 3HD1 LEU 9 3HD1 LEU 9 -3.259 -4.371 4.966
61 1HD2 LEU 9 1HD2 LEU 9 -0.306 -5.307 4.570
62 2HD2 LEU 9 2HD2 LEU 9 0.369 -3.969 5.525
63 3HD2 LEU 9 3HD2 LEU 9 -1.112 -4.768 6.056
64 H GLY 10 H GLY 10 -0.012 -0.502 1.352
65 1HA GLY 10 1HA GLY 10 1.484 -1.550 -0.795
66 2HA GLY 10 2HA GLY 10 0.886 0.110 -0.635
67 H LYS 11 H LYS 11 2.259 1.120 1.507
68 HA LYS 11 HA LYS 11 4.758 1.801 0.382
69 1HB LYS 11 1HB LYS 11 3.461 3.292 1.834
70 2HB LYS 11 2HB LYS 11 3.655 2.185 3.191
71 1HG LYS 11 1HG LYS 11 5.166 4.096 3.377
72 2HG LYS 11 2HG LYS 11 6.050 2.581 3.280
73 1HD LYS 11 1HD LYS 11 7.129 4.353 1.971
74 2HD LYS 11 2HD LYS 11 6.654 3.003 0.947
75 1HE LYS 11 1HE LYS 11 6.201 5.160 -0.132
76 2HE LYS 11 2HE LYS 11 4.692 4.281 0.133
77 1HZ LYS 11 1HZ LYS 11 5.742 6.440 1.825
78 2HZ LYS 11 2HZ LYS 11 4.520 6.580 0.726
79 3HZ LYS 11 3HZ LYS 11 4.320 5.638 2.064
80 H LEU 12 H LEU 12 3.912 -0.392 3.110
81 HA LEU 12 HA LEU 12 6.569 -1.072 3.853
82 1HB LEU 12 1HB LEU 12 3.941 -2.588 4.064
83 2HB LEU 12 2HB LEU 12 5.440 -3.136 4.822
84 HG LEU 12 HG LEU 12 4.206 -0.411 5.398
85 1HD1 LEU 12 1HD1 LEU 12 2.609 -2.189 6.012
86 2HD1 LEU 12 2HD1 LEU 12 3.879 -3.024 6.932
87 3HD1 LEU 12 3HD1 LEU 12 3.298 -1.427 7.455
88 1HD2 LEU 12 1HD2 LEU 12 6.281 -2.090 6.877
89 2HD2 LEU 12 2HD2 LEU 12 6.588 -0.566 6.015
90 3HD2 LEU 12 3HD2 LEU 12 5.581 -0.569 7.465
91 H SER 13 H SER 13 4.261 -2.779 1.693
92 HA SER 13 HA SER 13 5.938 -4.883 0.902
93 1HB SER 13 1HB SER 13 3.517 -4.801 0.489
94 2HB SER 13 2HB SER 13 3.740 -3.486 -0.684
95 HG SER 13 HG SER 13 5.036 -4.933 -1.902
96 H GLN 14 H GLN 14 5.491 -1.654 -0.595
97 HA GLN 14 HA GLN 14 7.212 -1.951 -2.803
98 1HB GLN 14 1HB GLN 14 5.610 -0.193 -2.661
99 2HB GLN 14 2HB GLN 14 6.324 0.480 -1.197
100 1HG GLN 14 1HG GLN 14 7.818 0.308 -3.847
101 2HG GLN 14 2HG GLN 14 6.783 1.675 -3.418
102 1HE2 GLN 14 2HE2 GLN 14 9.905 1.094 -3.686
103 2HE2 GLN 14 1HE2 GLN 14 10.544 1.982 -2.320
104 H GLU 15 H GLU 15 7.895 -0.658 0.495
105 HA GLU 15 HA GLU 15 10.580 0.025 -0.043
106 1HB GLU 15 1HB GLU 15 9.246 0.984 1.777
107 2HB GLU 15 2HB GLU 15 9.175 -0.584 2.594
108 1HG GLU 15 1HG GLU 15 10.854 0.910 3.603
109 2HG GLU 15 2HG GLU 15 11.600 -0.551 2.959
110 H LEU 16 H LEU 16 9.168 -2.876 1.535
111 HA LEU 16 HA LEU 16 11.573 -4.252 2.094
112 1HB LEU 16 1HB LEU 16 8.754 -5.210 1.490
113 2HB LEU 16 2HB LEU 16 10.039 -6.294 2.030
114 HG LEU 16 HG LEU 16 9.197 -3.853 3.653
115 1HD1 LEU 16 1HD1 LEU 16 7.249 -5.348 3.344
116 2HD1 LEU 16 2HD1 LEU 16 8.221 -6.730 3.892
117 3HD1 LEU 16 3HD1 LEU 16 7.847 -5.401 5.011
118 1HD2 LEU 16 1HD2 LEU 16 10.719 -6.397 4.374
119 2HD2 LEU 16 2HD2 LEU 16 11.410 -4.765 4.255
120 3HD2 LEU 16 3HD2 LEU 16 10.226 -5.129 5.513
121 H HIS 17 H HIS 17 9.503 -4.258 -0.851
122 HA HIS 17 HA HIS 17 11.067 -6.194 -2.260
123 1HB HIS 17 1HB HIS 17 8.773 -5.685 -2.890
124 2HB HIS 17 2HB HIS 17 9.217 -4.016 -3.285
125 HD1 HIS 17 HD1 HIS 17 10.361 -7.548 -4.323
126 HD2 HIS 17 HD2 HIS 17 9.861 -3.714 -5.941
127 HE1 HIS 17 HE1 HIS 17 10.960 -7.682 -6.788
128 H LYS 18 H LYS 18 11.245 -2.616 -2.003
129 HA LYS 18 HA LYS 18 13.019 -2.232 -4.163
130 1HB LYS 18 1HB LYS 18 11.642 -0.454 -3.221
131 2HB LYS 18 2HB LYS 18 12.505 -0.540 -1.688
132 1HG LYS 18 1HG LYS 18 13.237 1.374 -3.014
133 2HG LYS 18 2HG LYS 18 14.559 0.256 -2.708
134 1HD LYS 18 1HD LYS 18 14.627 1.132 -4.996
135 2HD LYS 18 2HD LYS 18 14.435 -0.619 -4.988
136 1HE LYS 18 1HE LYS 18 13.034 0.430 -6.701
137 2HE LYS 18 2HE LYS 18 12.022 -0.379 -5.501
138 1HZ LYS 18 1HZ LYS 18 12.613 2.495 -5.594
139 2HZ LYS 18 2HZ LYS 18 11.203 1.782 -6.067
140 3HZ LYS 18 3HZ LYS 18 11.652 1.750 -4.481
141 H LEU 19 H LEU 19 13.694 -2.513 -0.616
142 HA LEU 19 HA LEU 19 16.539 -2.343 -0.978
143 1HB LEU 19 1HB LEU 19 16.727 -2.850 1.356
144 2HB LEU 19 2HB LEU 19 15.473 -1.658 1.042
145 HG LEU 19 HG LEU 19 13.862 -3.786 1.131
146 1HD1 LEU 19 1HD1 LEU 19 15.690 -5.480 1.485
147 2HD1 LEU 19 2HD1 LEU 19 16.171 -4.615 2.952
148 3HD1 LEU 19 3HD1 LEU 19 14.581 -5.395 2.855
149 1HD2 LEU 19 1HD2 LEU 19 15.062 -2.443 3.583
150 2HD2 LEU 19 2HD2 LEU 19 13.728 -1.816 2.592
151 3HD2 LEU 19 3HD2 LEU 19 13.508 -3.303 3.527
152 H GLN 20 H GLN 20 14.248 -5.051 -1.017
153 HA GLN 20 HA GLN 20 16.157 -7.174 -0.875
154 1HB GLN 20 1HB GLN 20 13.897 -7.630 -0.436
155 2HB GLN 20 2HB GLN 20 13.332 -6.927 -1.949
156 1HG GLN 20 1HG GLN 20 15.142 -9.369 -1.896
157 2HG GLN 20 2HG GLN 20 13.388 -9.493 -1.719
158 1HE2 GLN 20 2HE2 GLN 20 15.699 -9.872 -4.006
159 2HE2 GLN 20 1HE2 GLN 20 14.791 -9.404 -5.430
160 H THR 21 H THR 21 14.632 -5.482 -3.657
161 HA THR 21 HA THR 21 16.004 -6.835 -5.731
162 HB THR 21 HB THR 21 14.794 -4.038 -5.579
163 HG1 THR 21 HG1 THR 21 13.065 -5.105 -6.585
164 1HG2 THR 21 1HG2 THR 21 15.579 -5.688 -8.020
165 2HG2 THR 21 2HG2 THR 21 14.658 -4.164 -8.033
166 3HG2 THR 21 3HG2 THR 21 16.344 -4.167 -7.512
167 H TYR 22 H TYR 22 16.681 -3.738 -4.071
168 HA TYR 22 HA TYR 22 18.434 -2.362 -3.971
169 1HB TYR 22 1HB TYR 22 19.416 -4.278 -2.807
170 2HB TYR 22 2HB TYR 22 20.102 -4.874 -4.311
171 HD1 TYR 22 HD1 TYR 22 22.304 -4.187 -4.903
172 HD2 TYR 22 HD2 TYR 22 20.027 -1.824 -2.102
173 HE1 TYR 22 HE1 TYR 22 24.259 -2.710 -4.557
174 HE2 TYR 22 HE2 TYR 22 21.988 -0.348 -1.759
175 HH TYR 22 HH TYR 22 25.096 -0.863 -3.470
176 HA PRO 23 HA PRO 23 18.788 -2.351 -8.618
177 1HB PRO 23 1HB PRO 23 17.445 -0.053 -9.182
178 2HB PRO 23 2HB PRO 23 16.594 -1.584 -8.814
179 1HG PRO 23 1HG PRO 23 17.228 0.677 -6.894
180 2HG PRO 23 2HG PRO 23 15.640 -0.093 -7.190
181 1HD PRO 23 1HD PRO 23 17.246 -0.852 -5.129
182 2HD PRO 23 2HD PRO 23 16.302 -2.065 -6.044
183 H ARG 24 H ARG 24 19.827 -0.707 -10.021
184 HA ARG 24 HA ARG 24 21.455 1.354 -8.629
185 1HB ARG 24 1HB ARG 24 23.441 0.657 -9.868
186 2HB ARG 24 2HB ARG 24 22.856 -0.635 -8.815
187 1HG ARG 24 1HG ARG 24 21.793 -1.766 -10.751
188 2HG ARG 24 2HG ARG 24 22.347 -0.465 -11.825
189 1HD ARG 24 1HD ARG 24 24.694 -0.995 -11.258
190 2HD ARG 24 2HD ARG 24 24.140 -2.292 -10.176
191 HE ARG 24 HE ARG 24 22.999 -2.718 -12.732
192 1HH1 ARG 24 1HH2 ARG 24 26.201 -2.799 -11.182
193 2HH1 ARG 24 2HH2 ARG 24 26.831 -3.994 -12.291
194 1HH2 ARG 24 1HH1 ARG 24 23.853 -4.277 -14.163
195 2HH2 ARG 24 2HH1 ARG 24 25.501 -4.833 -13.981
196 H THR 25 H THR 25 18.972 1.302 -10.379
197 HA THR 25 HA THR 25 19.836 3.478 -12.166
198 HB THR 25 HB THR 25 18.143 1.141 -13.169
199 HG1 THR 25 HG1 THR 25 19.970 0.680 -14.428
200 1HG2 THR 25 1HG2 THR 25 19.394 3.534 -14.608
201 2HG2 THR 25 2HG2 THR 25 18.493 2.214 -15.378
202 3HG2 THR 25 3HG2 THR 25 17.660 3.333 -14.292
203 H ASP 26 H ASP 26 18.898 4.281 -10.053
204 HA ASP 26 HA ASP 26 17.300 5.164 -8.770
205 1HB ASP 26 1HB ASP 26 17.058 6.575 -10.744
206 2HB ASP 26 2HB ASP 26 15.866 5.482 -11.443
207 H VAL 27 H VAL 27 14.472 4.265 -10.545
208 HA VAL 27 HA VAL 27 13.898 1.986 -8.715
209 HB VAL 27 HB VAL 27 12.084 3.548 -10.600
210 1HG1 VAL 27 1HG1 VAL 27 11.473 1.402 -8.510
211 2HG1 VAL 27 2HG1 VAL 27 10.268 2.337 -9.417
212 3HG1 VAL 27 3HG1 VAL 27 11.321 1.201 -10.266
213 1HG2 VAL 27 1HG2 VAL 27 12.363 3.615 -7.563
214 2HG2 VAL 27 2HG2 VAL 27 12.760 4.935 -8.678
215 3HG2 VAL 27 3HG2 VAL 27 11.082 4.415 -8.496
216 H GLY 28 H GLY 28 15.423 0.587 -9.714
217 1HA GLY 28 1HA GLY 28 15.444 0.092 -12.571
218 2HA GLY 28 2HA GLY 28 16.317 -0.789 -11.311
219 H ALA 29 H ALA 29 15.622 -2.553 -12.905
220 HA ALA 29 HA ALA 29 12.942 -3.460 -13.073
221 1HB ALA 29 1HB ALA 29 14.706 -4.168 -14.619
222 2HB ALA 29 2HB ALA 29 15.561 -4.999 -13.301
223 3HB ALA 29 3HB ALA 29 13.965 -5.576 -13.832
224 H GLY 30 H GLY 30 11.683 -4.551 -11.667
225 1HA GLY 30 1HA GLY 30 12.511 -4.846 -8.914
226 2HA GLY 30 2HA GLY 30 10.924 -5.164 -9.622
227 H THR 31 H THR 31 14.231 -6.508 -9.488
228 HA THR 31 HA THR 31 15.082 -8.578 -9.371
229 HB THR 31 HB THR 31 12.427 -9.433 -8.168
230 HG1 THR 31 HG1 THR 31 14.737 -8.266 -7.019
231 1HG2 THR 31 1HG2 THR 31 15.280 -10.474 -7.833
232 2HG2 THR 31 2HG2 THR 31 13.848 -11.041 -6.951
233 3HG2 THR 31 3HG2 THR 31 13.978 -11.321 -8.694
234 HA PRO 32 HA PRO 32 12.849 -9.685 -13.302
235 1HB PRO 32 1HB PRO 32 14.950 -9.552 -15.048
236 2HB PRO 32 2HB PRO 32 14.029 -8.123 -14.501
237 1HG PRO 32 1HG PRO 32 16.667 -9.136 -13.421
238 2HG PRO 32 2HG PRO 32 16.237 -7.467 -13.884
239 1HD PRO 32 1HD PRO 32 16.145 -8.328 -11.303
240 2HD PRO 32 2HD PRO 32 14.940 -7.166 -11.931
241 H1 NAG 33 H1 NAG 33 -7.939 1.908 0.187
242 H2 NAG 33 H2 NAG 33 -9.831 3.933 -1.077
243 H3 NAG 33 H3 NAG 33 -9.026 1.171 -2.081
244 H4 NAG 33 H4 NAG 33 -8.431 3.963 -3.133
245 H5 NAG 33 H5 NAG 33 -6.629 1.873 -1.831
246 1H6 NAG 33 1H6 NAG 33 -5.386 3.055 -3.563
247 2H6 NAG 33 2H6 NAG 33 -4.874 3.606 -1.958
248 1H8 NAG 33 1H8 NAG 33 -12.025 1.175 1.922
249 2H8 NAG 33 2H8 NAG 33 -12.750 0.629 0.392
250 3H8 NAG 33 3H8 NAG 33 -11.776 -0.494 1.366
251 HN2 NAG 33 HN2 NAG 33 -11.447 2.815 0.024
252 HO3 NAG 33 HO3 NAG 33 -10.287 1.903 -3.903
253 HO6 NAG 33 HO6 NAG 33 -5.223 5.340 -3.420
254 H1 NAG 34 H1 NAG 34 -7.374 3.938 -5.267
255 H2 NAG 34 H2 NAG 34 -8.097 1.291 -6.630
256 H3 NAG 34 H3 NAG 34 -7.053 3.885 -7.847
257 H4 NAG 34 H4 NAG 34 -9.780 2.555 -8.043
258 H5 NAG 34 H5 NAG 34 -8.912 5.093 -6.576
259 1H6 NAG 34 1H6 NAG 34 -11.644 3.759 -6.828
260 2H6 NAG 34 2H6 NAG 34 -11.169 5.321 -7.541
261 1H8 NAG 34 1H8 NAG 34 -2.892 2.694 -6.076
262 2H8 NAG 34 2H8 NAG 34 -3.666 1.314 -5.270
263 3H8 NAG 34 3H8 NAG 34 -3.471 1.317 -7.038
264 HN2 NAG 34 HN2 NAG 34 -5.911 0.788 -6.407
265 HO3 NAG 34 HO3 NAG 34 -6.421 1.928 -8.921
266 HO6 NAG 34 HO6 NAG 34 -12.268 5.555 -5.546
267 H1 MAN 35 H1 MAN 35 -11.202 3.692 -9.633
268 H2 MAN 35 H2 MAN 35 -10.672 5.912 -10.692
269 H3 MAN 35 H3 MAN 35 -12.364 4.516 -11.657
270 H4 MAN 35 H4 MAN 35 -10.316 3.193 -13.426
271 H5 MAN 35 H5 MAN 35 -11.501 1.709 -11.055
272 1H6 MAN 35 1H6 MAN 35 -9.585 0.201 -11.568
273 2H6 MAN 35 2H6 MAN 35 -9.000 1.384 -12.759
274 HO2 MAN 35 HO2 MAN 35 -8.805 4.325 -12.189
275 HO4 MAN 35 HO4 MAN 35 -12.144 1.763 -13.678
276 H1 MAN 36 H1 MAN 36 -9.087 -0.856 -13.719
277 H2 MAN 36 H2 MAN 36 -8.911 1.317 -14.964
278 H3 MAN 36 H3 MAN 36 -11.324 1.585 -15.327
279 H4 MAN 36 H4 MAN 36 -11.019 -0.681 -17.320
280 H5 MAN 36 H5 MAN 36 -12.590 -0.477 -14.696
281 1H6 MAN 36 1H6 MAN 36 -13.673 -1.917 -16.350
282 2H6 MAN 36 2H6 MAN 36 -12.986 -2.882 -15.021
283 HO2 MAN 36 HO2 MAN 36 -9.206 -1.027 -16.587
284 HO4 MAN 36 HO4 MAN 36 -13.263 0.919 -16.531
285 H1 MAN 37 H1 MAN 37 -13.214 6.273 -12.761
286 H2 MAN 37 H2 MAN 37 -12.925 6.262 -15.246
287 H3 MAN 37 H3 MAN 37 -10.540 6.689 -15.341
288 H4 MAN 37 H4 MAN 37 -11.204 9.492 -14.337
289 H5 MAN 37 H5 MAN 37 -9.698 7.228 -12.955
290 1H6 MAN 37 1H6 MAN 37 -8.882 9.474 -12.320
291 2H6 MAN 37 2H6 MAN 37 -9.713 8.648 -10.985
292 HO3 MAN 37 HO3 MAN 37 -11.863 7.406 -17.103
293 HO4 MAN 37 HO4 MAN 37 -8.730 8.166 -14.926
294 HO6 MAN 37 HO6 MAN 37 -10.369 10.830 -11.207
295 H1 MAN 38 H1 MAN 38 -13.259 -4.569 -16.564
296 H2 MAN 38 H2 MAN 38 -10.967 -5.386 -17.197
297 H3 MAN 38 H3 MAN 38 -10.333 -3.661 -18.772
298 H4 MAN 38 H4 MAN 38 -12.551 -4.721 -20.573
299 H5 MAN 38 H5 MAN 38 -12.342 -2.081 -19.047
300 1H6 MAN 38 1H6 MAN 38 -14.575 -3.199 -20.792
301 2H6 MAN 38 2H6 MAN 38 -13.495 -1.848 -21.219
302 HO2 MAN 38 HO2 MAN 38 -12.890 -6.619 -17.606
303 HO3 MAN 38 HO3 MAN 38 -10.711 -6.176 -20.094
304 HO4 MAN 38 HO4 MAN 38 -10.660 -3.863 -21.614
305 HO6 MAN 38 HO6 MAN 38 -15.483 -1.140 -20.330
306 H1 MAN 39 H1 MAN 39 -11.762 3.342 -16.580
307 H2 MAN 39 H2 MAN 39 -11.086 3.604 -18.988
308 H3 MAN 39 H3 MAN 39 -8.695 3.238 -18.784
309 H4 MAN 39 H4 MAN 39 -8.626 5.829 -17.180
310 H5 MAN 39 H5 MAN 39 -8.151 2.936 -16.323
311 1H6 MAN 39 1H6 MAN 39 -6.713 4.504 -15.084
312 2H6 MAN 39 2H6 MAN 39 -7.992 3.834 -14.051
313 HO2 MAN 39 HO2 MAN 39 -12.052 5.302 -17.723
314 HO3 MAN 39 HO3 MAN 39 -9.279 5.958 -19.479
315 HO4 MAN 39 HO4 MAN 39 -6.602 3.923 -17.886
316 HO6 MAN 39 HO6 MAN 39 -7.766 6.097 -13.797
317 H1 MAN 40 H1 MAN 40 -15.066 7.001 -14.043
318 H2 MAN 40 H2 MAN 40 -15.790 8.783 -15.632
319 H3 MAN 40 H3 MAN 40 -14.419 10.622 -14.842
320 H4 MAN 40 H4 MAN 40 -16.099 10.555 -12.300
321 H5 MAN 40 H5 MAN 40 -13.164 9.831 -12.730
322 1H6 MAN 40 1H6 MAN 40 -14.927 9.628 -10.247
323 2H6 MAN 40 2H6 MAN 40 -13.662 10.853 -10.510
324 HO2 MAN 40 HO2 MAN 40 -16.968 8.830 -13.019
325 HO3 MAN 40 HO3 MAN 40 -16.496 11.105 -15.760
326 HO4 MAN 40 HO4 MAN 40 -15.317 12.625 -13.004
327 HO6 MAN 40 HO6 MAN 40 -12.157 9.154 -10.668
328 1HN NH2 41 1HN NH2 41 15.815 -12.535 -12.628
329 2HN NH2 41 2HN NH2 41 16.131 -10.852 -12.271
Start of MODEL 5
1 1H CYS 1 1H CYS 1 -4.226 8.854 -1.994
2 2H CYS 1 2H CYS 1 -3.446 9.774 -0.869
3 3H CYS 1 3H CYS 1 -2.684 8.476 -1.545
4 HA CYS 1 HA CYS 1 -4.212 6.975 -0.577
5 1HB CYS 1 1HB CYS 1 -2.133 7.537 0.614
6 2HB CYS 1 2HB CYS 1 -2.959 8.865 1.439
7 H SER 2 H SER 2 -6.002 6.560 0.761
8 HA SER 2 HA SER 2 -7.619 8.811 1.804
9 1HB SER 2 1HB SER 2 -8.716 6.626 -0.025
10 2HB SER 2 2HB SER 2 -9.671 7.843 0.843
11 HG SER 2 HG SER 2 -8.494 9.442 -0.324
12 H ASN 3 H ASN 3 -7.264 5.260 1.449
13 HA ASN 3 HA ASN 3 -8.948 4.553 3.604
14 1HB ASN 3 1HB ASN 3 -6.647 3.005 2.350
15 2HB ASN 3 2HB ASN 3 -7.956 2.316 3.325
16 1HD2 ASN 3 1HD2 ASN 3 -7.295 1.450 0.770
17 H LEU 4 H LEU 4 -5.422 5.003 3.445
18 HA LEU 4 HA LEU 4 -3.737 4.872 4.926
19 1HB LEU 4 1HB LEU 4 -5.850 5.486 7.036
20 2HB LEU 4 2HB LEU 4 -4.113 5.504 7.306
21 HG LEU 4 HG LEU 4 -5.379 7.270 5.177
22 1HD1 LEU 4 1HD1 LEU 4 -4.947 7.913 8.121
23 2HD1 LEU 4 2HD1 LEU 4 -5.405 9.076 6.858
24 3HD1 LEU 4 3HD1 LEU 4 -6.514 7.763 7.294
25 1HD2 LEU 4 1HD2 LEU 4 -2.875 6.955 5.154
26 2HD2 LEU 4 2HD2 LEU 4 -3.356 8.616 5.532
27 3HD2 LEU 4 3HD2 LEU 4 -2.819 7.529 6.828
28 H SER 5 H SER 5 -4.491 2.604 3.944
29 HA SER 5 HA SER 5 -3.894 0.640 6.004
30 1HB SER 5 1HB SER 5 -6.335 0.786 6.279
31 2HB SER 5 2HB SER 5 -6.576 0.555 4.538
32 HG SER 5 HG SER 5 -6.789 -1.383 5.730
33 H THR 6 H THR 6 -5.395 0.763 2.714
34 HA THR 6 HA THR 6 -3.643 -1.165 1.521
35 HB THR 6 HB THR 6 -4.447 -0.196 -0.609
36 HG1 THR 6 HG1 THR 6 -4.559 1.966 0.046
37 1HG2 THR 6 1HG2 THR 6 -5.853 -1.859 0.610
38 2HG2 THR 6 2HG2 THR 6 -6.730 -0.523 1.390
39 3HG2 THR 6 3HG2 THR 6 -6.803 -0.735 -0.368
40 H CYS 7 H CYS 7 -3.424 2.303 2.161
41 HA CYS 7 HA CYS 7 -1.312 2.957 0.384
42 1HB CYS 7 1HB CYS 7 -1.906 4.299 3.039
43 2HB CYS 7 2HB CYS 7 -1.156 5.002 1.603
44 H VAL 8 H VAL 8 -1.300 2.249 3.925
45 HA VAL 8 HA VAL 8 1.533 2.429 4.141
46 HB VAL 8 HB VAL 8 -0.024 2.948 5.949
47 1HG1 VAL 8 1HG1 VAL 8 -1.647 1.140 5.734
48 2HG1 VAL 8 2HG1 VAL 8 -0.438 -0.049 6.281
49 3HG1 VAL 8 3HG1 VAL 8 -0.992 1.233 7.370
50 1HG2 VAL 8 1HG2 VAL 8 2.373 2.459 6.388
51 2HG2 VAL 8 2HG2 VAL 8 1.330 2.027 7.754
52 3HG2 VAL 8 3HG2 VAL 8 1.959 0.757 6.689
53 H LEU 9 H LEU 9 -0.692 -0.373 3.840
54 HA LEU 9 HA LEU 9 1.276 -2.425 4.065
55 1HB LEU 9 1HB LEU 9 -1.374 -2.282 2.585
56 2HB LEU 9 2HB LEU 9 -0.420 -3.760 2.719
57 HG LEU 9 HG LEU 9 -1.427 -2.230 5.158
58 1HD1 LEU 9 1HD1 LEU 9 -3.329 -3.016 3.764
59 2HD1 LEU 9 2HD1 LEU 9 -2.640 -4.652 3.758
60 3HD1 LEU 9 3HD1 LEU 9 -3.206 -3.927 5.278
61 1HD2 LEU 9 1HD2 LEU 9 -0.331 -5.055 4.798
62 2HD2 LEU 9 2HD2 LEU 9 0.459 -3.723 5.669
63 3HD2 LEU 9 3HD2 LEU 9 -1.041 -4.411 6.292
64 H GLY 10 H GLY 10 0.033 -0.590 1.242
65 1HA GLY 10 1HA GLY 10 1.522 -1.861 -0.792
66 2HA GLY 10 2HA GLY 10 0.910 -0.198 -0.813
67 H LYS 11 H LYS 11 2.295 0.993 1.269
68 HA LYS 11 HA LYS 11 4.737 1.635 0.019
69 1HB LYS 11 1HB LYS 11 3.468 2.268 2.684
70 2HB LYS 11 2HB LYS 11 5.133 2.760 2.404
71 1HG LYS 11 1HG LYS 11 3.133 3.449 0.259
72 2HG LYS 11 2HG LYS 11 3.048 4.323 1.791
73 1HD LYS 11 1HD LYS 11 4.433 5.526 0.180
74 2HD LYS 11 2HD LYS 11 5.346 5.059 1.622
75 1HE LYS 11 1HE LYS 11 6.390 3.191 0.375
76 2HE LYS 11 2HE LYS 11 5.438 3.618 -1.068
77 1HZ LYS 11 1HZ LYS 11 7.405 5.323 0.276
78 2HZ LYS 11 2HZ LYS 11 7.655 4.478 -1.118
79 3HZ LYS 11 3HZ LYS 11 6.562 5.713 -1.086
80 H LEU 12 H LEU 12 4.241 -0.153 3.150
81 HA LEU 12 HA LEU 12 7.003 -0.632 3.479
82 1HB LEU 12 1HB LEU 12 6.455 -2.110 5.254
83 2HB LEU 12 2HB LEU 12 5.415 -0.692 5.276
84 HG LEU 12 HG LEU 12 3.723 -2.297 3.979
85 1HD1 LEU 12 1HD1 LEU 12 5.276 -4.284 3.871
86 2HD1 LEU 12 2HD1 LEU 12 5.376 -4.264 5.638
87 3HD1 LEU 12 3HD1 LEU 12 3.834 -4.611 4.833
88 1HD2 LEU 12 1HD2 LEU 12 4.277 -2.449 6.970
89 2HD2 LEU 12 2HD2 LEU 12 3.306 -1.211 6.150
90 3HD2 LEU 12 3HD2 LEU 12 2.751 -2.891 6.177
91 H SER 13 H SER 13 4.538 -2.519 1.720
92 HA SER 13 HA SER 13 6.123 -4.821 1.201
93 1HB SER 13 1HB SER 13 3.701 -4.772 0.903
94 2HB SER 13 2HB SER 13 3.857 -3.586 -0.412
95 HG SER 13 HG SER 13 4.971 -6.197 -0.365
96 H GLN 14 H GLN 14 5.695 -1.734 -0.590
97 HA GLN 14 HA GLN 14 7.322 -2.422 -2.821
98 1HB GLN 14 1HB GLN 14 5.593 -0.630 -2.740
99 2HB GLN 14 2HB GLN 14 6.664 0.331 -1.698
100 1HG GLN 14 1HG GLN 14 8.375 0.318 -3.507
101 2HG GLN 14 2HG GLN 14 7.287 -0.661 -4.511
102 1HE2 GLN 14 2HE2 GLN 14 7.810 1.256 -5.982
103 2HE2 GLN 14 1HE2 GLN 14 6.733 2.634 -5.889
104 H GLU 15 H GLU 15 8.038 -0.860 0.322
105 HA GLU 15 HA GLU 15 10.718 -0.082 -0.358
106 1HB GLU 15 1HB GLU 15 9.186 -0.291 2.248
107 2HB GLU 15 2HB GLU 15 10.860 0.284 2.154
108 1HG GLU 15 1HG GLU 15 10.264 2.109 0.693
109 2HG GLU 15 2HG GLU 15 8.609 1.528 0.513
110 H LEU 16 H LEU 16 9.382 -2.880 1.538
111 HA LEU 16 HA LEU 16 11.985 -3.957 2.054
112 1HB LEU 16 1HB LEU 16 10.953 -5.860 2.952
113 2HB LEU 16 2HB LEU 16 10.066 -4.421 3.436
114 HG LEU 16 HG LEU 16 8.482 -5.055 1.413
115 1HD1 LEU 16 1HD1 LEU 16 9.688 -7.771 2.132
116 2HD1 LEU 16 2HD1 LEU 16 8.234 -7.508 1.150
117 3HD1 LEU 16 3HD1 LEU 16 9.808 -6.999 0.543
118 1HD2 LEU 16 1HD2 LEU 16 7.837 -5.000 3.810
119 2HD2 LEU 16 2HD2 LEU 16 7.110 -6.385 2.982
120 3HD2 LEU 16 3HD2 LEU 16 8.525 -6.619 4.028
121 H HIS 17 H HIS 17 9.726 -4.269 -0.670
122 HA HIS 17 HA HIS 17 11.102 -6.375 -2.041
123 1HB HIS 17 1HB HIS 17 8.892 -5.812 -2.734
124 2HB HIS 17 2HB HIS 17 9.309 -4.112 -2.966
125 HD1 HIS 17 HD1 HIS 17 10.292 -3.379 -5.177
126 HD2 HIS 17 HD2 HIS 17 10.052 -7.548 -4.807
127 HE1 HIS 17 HE1 HIS 17 10.869 -4.374 -7.443
128 H LYS 18 H LYS 18 11.348 -2.775 -2.224
129 HA LYS 18 HA LYS 18 13.225 -2.572 -4.244
130 1HB LYS 18 1HB LYS 18 12.017 -0.656 -3.300
131 2HB LYS 18 2HB LYS 18 12.925 -0.813 -1.790
132 1HG LYS 18 1HG LYS 18 15.058 -0.380 -3.058
133 2HG LYS 18 2HG LYS 18 14.111 -0.216 -4.537
134 1HD LYS 18 1HD LYS 18 14.771 1.947 -3.579
135 2HD LYS 18 2HD LYS 18 13.020 1.774 -3.688
136 1HE LYS 18 1HE LYS 18 13.798 2.848 -1.571
137 2HE LYS 18 2HE LYS 18 12.838 1.394 -1.286
138 1HZ LYS 18 1HZ LYS 18 15.772 1.552 -1.242
139 2HZ LYS 18 2HZ LYS 18 14.788 1.484 0.080
140 3HZ LYS 18 3HZ LYS 18 14.879 0.197 -0.946
141 H LEU 19 H LEU 19 13.981 -2.570 -0.684
142 HA LEU 19 HA LEU 19 16.774 -2.551 -1.131
143 1HB LEU 19 1HB LEU 19 17.020 -2.895 1.240
144 2HB LEU 19 2HB LEU 19 15.760 -1.727 0.864
145 HG LEU 19 HG LEU 19 14.153 -3.847 1.120
146 1HD1 LEU 19 1HD1 LEU 19 16.491 -4.546 2.958
147 2HD1 LEU 19 2HD1 LEU 19 14.899 -5.329 2.945
148 3HD1 LEU 19 3HD1 LEU 19 15.982 -5.512 1.563
149 1HD2 LEU 19 1HD2 LEU 19 15.388 -2.319 3.446
150 2HD2 LEU 19 2HD2 LEU 19 14.019 -1.786 2.446
151 3HD2 LEU 19 3HD2 LEU 19 13.849 -3.202 3.498
152 H GLN 20 H GLN 20 14.529 -5.281 -1.045
153 HA GLN 20 HA GLN 20 16.590 -7.259 -0.608
154 1HB GLN 20 1HB GLN 20 14.263 -7.512 0.097
155 2HB GLN 20 2HB GLN 20 13.723 -7.601 -1.582
156 1HG GLN 20 1HG GLN 20 15.769 -9.496 -0.318
157 2HG GLN 20 2HG GLN 20 14.030 -9.796 -0.300
158 1HE2 GLN 20 2HE2 GLN 20 12.888 -9.810 -2.464
159 2HE2 GLN 20 1HE2 GLN 20 13.739 -10.558 -3.798
160 H THR 21 H THR 21 14.492 -6.587 -3.490
161 HA THR 21 HA THR 21 16.089 -8.212 -5.223
162 HB THR 21 HB THR 21 14.675 -7.283 -7.015
163 HG1 THR 21 HG1 THR 21 13.016 -5.833 -6.384
164 1HG2 THR 21 1HG2 THR 21 13.875 -9.173 -5.590
165 2HG2 THR 21 2HG2 THR 21 13.030 -7.996 -4.551
166 3HG2 THR 21 3HG2 THR 21 12.565 -8.185 -6.253
167 H TYR 22 H TYR 22 16.149 -4.774 -4.420
168 HA TYR 22 HA TYR 22 17.480 -3.071 -4.941
169 1HB TYR 22 1HB TYR 22 19.215 -4.619 -4.179
170 2HB TYR 22 2HB TYR 22 19.500 -5.140 -5.835
171 HD1 TYR 22 HD1 TYR 22 19.385 -2.054 -3.682
172 HD2 TYR 22 HD2 TYR 22 21.108 -3.963 -7.146
173 HE1 TYR 22 HE1 TYR 22 20.881 -0.108 -4.014
174 HE2 TYR 22 HE2 TYR 22 22.601 -2.018 -7.473
175 HH TYR 22 HH TYR 22 22.538 0.835 -5.302
176 HA PRO 23 HA PRO 23 16.427 -3.012 -9.450
177 1HB PRO 23 1HB PRO 23 14.210 -1.476 -9.426
178 2HB PRO 23 2HB PRO 23 14.136 -3.169 -8.868
179 1HG PRO 23 1HG PRO 23 14.432 -0.682 -7.158
180 2HG PRO 23 2HG PRO 23 13.249 -2.013 -6.969
181 1HD PRO 23 1HD PRO 23 15.650 -1.888 -5.613
182 2HD PRO 23 2HD PRO 23 14.847 -3.430 -6.045
183 H ARG 24 H ARG 24 15.873 -0.677 -10.616
184 HA ARG 24 HA ARG 24 18.043 1.132 -10.029
185 1HB ARG 24 1HB ARG 24 15.574 1.416 -11.789
186 2HB ARG 24 2HB ARG 24 16.919 2.569 -11.723
187 1HG ARG 24 1HG ARG 24 18.495 0.781 -12.417
188 2HG ARG 24 2HG ARG 24 17.147 -0.365 -12.550
189 1HD ARG 24 1HD ARG 24 17.425 2.227 -14.129
190 2HD ARG 24 2HD ARG 24 17.806 0.603 -14.736
191 HE ARG 24 HE ARG 24 15.169 0.506 -13.779
192 1HH1 ARG 24 1HH2 ARG 24 16.960 2.152 -16.376
193 2HH1 ARG 24 2HH2 ARG 24 15.564 2.258 -17.423
194 1HH2 ARG 24 1HH1 ARG 24 13.367 0.665 -15.166
195 2HH2 ARG 24 2HH1 ARG 24 13.527 1.415 -16.738
196 H THR 25 H THR 25 14.467 1.536 -9.863
197 HA THR 25 HA THR 25 14.643 2.881 -7.269
198 HB THR 25 HB THR 25 13.446 4.267 -9.718
199 HG1 THR 25 HG1 THR 25 15.688 4.881 -8.099
200 1HG2 THR 25 1HG2 THR 25 13.587 5.122 -6.789
201 2HG2 THR 25 2HG2 THR 25 13.087 6.165 -8.136
202 3HG2 THR 25 3HG2 THR 25 12.109 4.755 -7.709
203 H ASP 26 H ASP 26 12.800 2.517 -6.089
204 HA ASP 26 HA ASP 26 10.280 1.749 -7.319
205 1HB ASP 26 1HB ASP 26 11.460 -0.399 -7.431
206 2HB ASP 26 2HB ASP 26 11.898 -0.282 -5.723
207 H VAL 27 H VAL 27 9.998 3.817 -6.217
208 HA VAL 27 HA VAL 27 9.289 3.480 -3.344
209 HB VAL 27 HB VAL 27 10.678 5.908 -4.566
210 1HG1 VAL 27 1HG1 VAL 27 9.100 6.473 -2.719
211 2HG1 VAL 27 2HG1 VAL 27 9.902 5.277 -1.682
212 3HG1 VAL 27 3HG1 VAL 27 10.780 6.717 -2.241
213 1HG2 VAL 27 1HG2 VAL 27 11.743 3.785 -2.659
214 2HG2 VAL 27 2HG2 VAL 27 12.329 4.118 -4.307
215 3HG2 VAL 27 3HG2 VAL 27 12.562 5.316 -3.032
216 H GLY 28 H GLY 28 7.288 4.215 -2.896
217 1HA GLY 28 1HA GLY 28 5.468 5.203 -4.887
218 2HA GLY 28 2HA GLY 28 5.219 5.146 -3.134
219 H ALA 29 H ALA 29 5.927 7.141 -5.800
220 HA ALA 29 HA ALA 29 6.330 9.303 -6.157
221 1HB ALA 29 1HB ALA 29 4.637 9.728 -4.363
222 2HB ALA 29 2HB ALA 29 5.962 9.865 -3.187
223 3HB ALA 29 3HB ALA 29 5.850 11.005 -4.534
224 H GLY 30 H GLY 30 7.894 11.222 -5.265
225 1HA GLY 30 1HA GLY 30 10.560 10.212 -5.458
226 2HA GLY 30 2HA GLY 30 10.077 11.869 -5.051
227 H THR 31 H THR 31 9.071 12.091 -2.778
228 HA THR 31 HA THR 31 10.820 11.025 -0.744
229 HB THR 31 HB THR 31 8.222 12.592 -0.548
230 HG1 THR 31 HG1 THR 31 9.908 13.668 -1.628
231 1HG2 THR 31 1HG2 THR 31 10.409 12.068 1.518
232 2HG2 THR 31 2HG2 THR 31 9.051 13.194 1.712
233 3HG2 THR 31 3HG2 THR 31 8.741 11.456 1.589
234 HA PRO 32 HA PRO 32 8.523 7.153 -0.359
235 1HB PRO 32 1HB PRO 32 9.451 7.391 2.519
236 2HB PRO 32 2HB PRO 32 9.416 5.943 1.472
237 1HG PRO 32 1HG PRO 32 11.727 7.311 1.822
238 2HG PRO 32 2HG PRO 32 11.260 6.764 0.185
239 1HD PRO 32 1HD PRO 32 10.976 9.529 1.379
240 2HD PRO 32 2HD PRO 32 11.527 9.028 -0.251
241 H1 NAG 33 H1 NAG 33 -9.632 2.308 -0.899
242 H2 NAG 33 H2 NAG 33 -6.978 1.017 -1.705
243 H3 NAG 33 H3 NAG 33 -9.289 2.071 -3.368
244 H4 NAG 33 H4 NAG 33 -8.201 -0.732 -2.900
245 H5 NAG 33 H5 NAG 33 -10.811 0.574 -1.992
246 1H6 NAG 33 1H6 NAG 33 -11.177 -1.786 -2.465
247 2H6 NAG 33 2H6 NAG 33 -11.146 -1.518 -0.712
248 1H8 NAG 33 1H8 NAG 33 -7.530 6.368 -2.273
249 2H8 NAG 33 2H8 NAG 33 -6.343 5.556 -1.226
250 3H8 NAG 33 3H8 NAG 33 -6.230 5.395 -2.993
251 HN2 NAG 33 HN2 NAG 33 -6.150 3.091 -1.881
252 HO3 NAG 33 HO3 NAG 33 -7.193 2.340 -4.329
253 HO6 NAG 33 HO6 NAG 33 -9.901 -3.339 -1.367
254 H1 NAG 34 H1 NAG 34 -9.103 -2.337 -4.354
255 H2 NAG 34 H2 NAG 34 -10.421 -0.922 -6.733
256 H3 NAG 34 H3 NAG 34 -9.532 -3.823 -6.432
257 H4 NAG 34 H4 NAG 34 -8.461 -1.536 -8.139
258 H5 NAG 34 H5 NAG 34 -7.327 -3.007 -5.716
259 1H6 NAG 34 1H6 NAG 34 -5.514 -1.271 -5.865
260 2H6 NAG 34 2H6 NAG 34 -6.090 -0.863 -7.495
261 1H8 NAG 34 1H8 NAG 34 -13.862 -3.651 -5.219
262 2H8 NAG 34 2H8 NAG 34 -13.302 -4.358 -3.688
263 3H8 NAG 34 3H8 NAG 34 -13.591 -2.608 -3.803
264 HN2 NAG 34 HN2 NAG 34 -12.359 -1.649 -5.841
265 HO3 NAG 34 HO3 NAG 34 -10.181 -3.866 -8.661
266 HO6 NAG 34 HO6 NAG 34 -5.204 -3.417 -6.591
267 H1 MAN 35 H1 MAN 35 -6.900 -4.192 -10.080
268 H2 MAN 35 H2 MAN 35 -9.319 -3.975 -10.523
269 H3 MAN 35 H3 MAN 35 -7.680 -3.929 -12.314
270 H4 MAN 35 H4 MAN 35 -7.663 -0.903 -11.959
271 H5 MAN 35 H5 MAN 35 -5.456 -2.942 -11.375
272 1H6 MAN 35 1H6 MAN 35 -4.342 -0.949 -10.324
273 2H6 MAN 35 2H6 MAN 35 -5.625 0.074 -11.022
274 HO2 MAN 35 HO2 MAN 35 -8.772 -1.165 -10.293
275 HO4 MAN 35 HO4 MAN 35 -6.169 -2.657 -13.661
276 H1 MAN 36 H1 MAN 36 -3.143 0.634 -11.538
277 H2 MAN 36 H2 MAN 36 -5.200 1.683 -12.541
278 H3 MAN 36 H3 MAN 36 -5.430 0.157 -14.427
279 H4 MAN 36 H4 MAN 36 -2.943 1.507 -15.528
280 H5 MAN 36 H5 MAN 36 -3.393 -1.367 -14.568
281 1H6 MAN 36 1H6 MAN 36 -1.808 -1.270 -16.395
282 2H6 MAN 36 2H6 MAN 36 -0.940 -1.570 -14.871
283 HO2 MAN 36 HO2 MAN 36 -3.213 2.867 -12.346
284 HO4 MAN 36 HO4 MAN 36 -3.244 -0.024 -17.210
285 H1 MAN 37 H1 MAN 37 -9.665 -4.728 -13.285
286 H2 MAN 37 H2 MAN 37 -7.594 -3.910 -14.525
287 H3 MAN 37 H3 MAN 37 -8.460 -1.767 -15.270
288 H4 MAN 37 H4 MAN 37 -10.377 -3.381 -17.001
289 H5 MAN 37 H5 MAN 37 -10.880 -1.558 -14.594
290 1H6 MAN 37 1H6 MAN 37 -13.211 -2.464 -14.765
291 2H6 MAN 37 2H6 MAN 37 -12.790 -3.171 -16.342
292 HO3 MAN 37 HO3 MAN 37 -7.849 -1.957 -17.487
293 HO4 MAN 37 HO4 MAN 37 -9.586 -1.395 -17.912
294 HO6 MAN 37 HO6 MAN 37 -12.656 -0.418 -15.634
295 H1 MAN 38 H1 MAN 38 0.846 -0.882 -16.193
296 H2 MAN 38 H2 MAN 38 1.685 1.309 -15.287
297 H3 MAN 38 H3 MAN 38 0.016 2.804 -16.199
298 H4 MAN 38 H4 MAN 38 1.123 2.112 -18.954
299 H5 MAN 38 H5 MAN 38 -1.555 1.402 -17.666
300 1H6 MAN 38 1H6 MAN 38 -0.411 0.650 -20.385
301 2H6 MAN 38 2H6 MAN 38 -1.733 1.809 -20.096
302 HO2 MAN 38 HO2 MAN 38 2.336 0.712 -18.014
303 HO3 MAN 38 HO3 MAN 38 2.569 3.251 -17.423
304 HO4 MAN 38 HO4 MAN 38 -1.079 3.730 -18.082
305 HO6 MAN 38 HO6 MAN 38 -2.498 -0.290 -20.594
306 H1 MAN 39 H1 MAN 39 -7.224 1.901 -14.063
307 H2 MAN 39 H2 MAN 39 -6.992 -0.027 -15.717
308 H3 MAN 39 H3 MAN 39 -6.182 1.236 -17.629
309 H4 MAN 39 H4 MAN 39 -8.933 2.543 -17.686
310 H5 MAN 39 H5 MAN 39 -6.198 3.740 -17.024
311 1H6 MAN 39 1H6 MAN 39 -8.990 4.969 -16.998
312 2H6 MAN 39 2H6 MAN 39 -7.693 5.343 -18.161
313 HO2 MAN 39 HO2 MAN 39 -9.007 0.549 -14.767
314 HO3 MAN 39 HO3 MAN 39 -8.811 0.193 -18.087
315 HO4 MAN 39 HO4 MAN 39 -7.953 3.724 -19.401
316 HO6 MAN 39 HO6 MAN 39 -7.790 6.842 -16.434
317 H1 MAN 40 H1 MAN 40 -6.906 -5.314 -16.411
318 H2 MAN 40 H2 MAN 40 -8.552 -6.629 -17.782
319 H3 MAN 40 H3 MAN 40 -9.979 -7.466 -16.007
320 H4 MAN 40 H4 MAN 40 -7.574 -9.096 -15.089
321 H5 MAN 40 H5 MAN 40 -8.985 -6.730 -13.772
322 1H6 MAN 40 1H6 MAN 40 -8.126 -8.340 -12.114
323 2H6 MAN 40 2H6 MAN 40 -7.196 -6.826 -12.109
324 HO2 MAN 40 HO2 MAN 40 -7.136 -8.464 -17.881
325 HO3 MAN 40 HO3 MAN 40 -8.497 -9.591 -17.233
326 HO4 MAN 40 HO4 MAN 40 -9.668 -10.053 -14.787
327 HO6 MAN 40 HO6 MAN 40 -5.857 -8.689 -12.071
328 1HN NH2 41 1HN NH2 41 8.197 9.334 2.536
329 2HN NH2 41 2HN NH2 41 6.452 9.222 2.627
Start of MODEL 6
1 1H CYS 1 1H CYS 1 -5.048 5.605 -0.930
2 2H CYS 1 2H CYS 1 -4.230 6.820 -1.686
3 3H CYS 1 3H CYS 1 -3.404 5.559 -1.023
4 HA CYS 1 HA CYS 1 -4.121 6.172 1.168
5 1HB CYS 1 1HB CYS 1 -2.512 8.035 -0.545
6 2HB CYS 1 2HB CYS 1 -2.992 8.590 1.055
7 H SER 2 H SER 2 -6.324 6.270 1.454
8 HA SER 2 HA SER 2 -7.380 8.963 1.802
9 1HB SER 2 1HB SER 2 -9.460 8.548 0.527
10 2HB SER 2 2HB SER 2 -8.045 8.512 -0.535
11 HG SER 2 HG SER 2 -8.083 6.195 -0.265
12 H ASN 3 H ASN 3 -6.472 7.069 3.548
13 HA ASN 3 HA ASN 3 -8.279 6.768 5.582
14 1HB ASN 3 1HB ASN 3 -8.807 4.324 5.525
15 2HB ASN 3 2HB ASN 3 -9.712 5.260 4.354
16 1HD2 ASN 3 1HD2 ASN 3 -9.525 4.751 2.193
17 H LEU 4 H LEU 4 -5.587 5.423 3.747
18 HA LEU 4 HA LEU 4 -3.516 4.809 4.267
19 1HB LEU 4 1HB LEU 4 -3.969 5.714 7.137
20 2HB LEU 4 2HB LEU 4 -2.441 5.469 6.300
21 HG LEU 4 HG LEU 4 -4.507 7.633 5.692
22 1HD1 LEU 4 1HD1 LEU 4 -3.214 7.968 7.767
23 2HD1 LEU 4 2HD1 LEU 4 -1.698 7.774 6.860
24 3HD1 LEU 4 3HD1 LEU 4 -2.770 9.151 6.523
25 1HD2 LEU 4 1HD2 LEU 4 -1.822 7.042 4.372
26 2HD2 LEU 4 2HD2 LEU 4 -3.423 7.008 3.593
27 3HD2 LEU 4 3HD2 LEU 4 -2.752 8.541 4.157
28 H SER 5 H SER 5 -4.585 2.738 3.775
29 HA SER 5 HA SER 5 -3.958 0.799 5.915
30 1HB SER 5 1HB SER 5 -6.598 0.744 4.384
31 2HB SER 5 2HB SER 5 -5.999 -0.484 5.512
32 HG SER 5 HG SER 5 -5.981 1.181 7.116
33 H THR 6 H THR 6 -5.464 0.648 2.630
34 HA THR 6 HA THR 6 -3.735 -1.456 1.768
35 HB THR 6 HB THR 6 -6.001 -0.994 0.856
36 HG1 THR 6 HG1 THR 6 -5.356 -1.495 -1.264
37 1HG2 THR 6 1HG2 THR 6 -5.841 1.486 0.574
38 2HG2 THR 6 2HG2 THR 6 -4.653 1.250 -0.727
39 3HG2 THR 6 3HG2 THR 6 -6.296 0.648 -0.927
40 H CYS 7 H CYS 7 -3.580 2.072 1.585
41 HA CYS 7 HA CYS 7 -1.429 2.319 -0.261
42 1HB CYS 7 1HB CYS 7 -3.098 4.056 0.438
43 2HB CYS 7 2HB CYS 7 -2.261 4.185 1.986
44 H VAL 8 H VAL 8 -1.596 2.121 3.318
45 HA VAL 8 HA VAL 8 1.182 2.515 3.833
46 HB VAL 8 HB VAL 8 -1.005 1.152 5.462
47 1HG1 VAL 8 1HG2 VAL 8 1.788 2.068 6.280
48 2HG1 VAL 8 2HG2 VAL 8 0.502 1.579 7.404
49 3HG1 VAL 8 3HG2 VAL 8 1.182 0.397 6.282
50 1HG2 VAL 8 1HG1 VAL 8 -1.424 3.555 4.972
51 2HG2 VAL 8 2HG1 VAL 8 -1.058 3.291 6.683
52 3HG2 VAL 8 3HG1 VAL 8 0.183 3.960 5.604
53 H LEU 9 H LEU 9 -0.823 -0.478 3.603
54 HA LEU 9 HA LEU 9 1.277 -2.356 3.875
55 1HB LEU 9 1HB LEU 9 -1.368 -2.455 2.384
56 2HB LEU 9 2HB LEU 9 -0.332 -3.868 2.604
57 HG LEU 9 HG LEU 9 -1.405 -2.248 4.958
58 1HD1 LEU 9 1HD1 LEU 9 -3.293 -3.141 3.644
59 2HD1 LEU 9 2HD1 LEU 9 -2.558 -4.759 3.673
60 3HD1 LEU 9 3HD1 LEU 9 -3.120 -4.005 5.181
61 1HD2 LEU 9 1HD2 LEU 9 -0.232 -5.057 4.742
62 2HD2 LEU 9 2HD2 LEU 9 0.541 -3.658 5.517
63 3HD2 LEU 9 3HD2 LEU 9 -0.933 -4.342 6.207
64 H GLY 10 H GLY 10 0.058 -0.619 1.001
65 1HA GLY 10 1HA GLY 10 1.578 -1.929 -0.994
66 2HA GLY 10 2HA GLY 10 0.948 -0.274 -1.053
67 H LYS 11 H LYS 11 2.302 0.970 1.027
68 HA LYS 11 HA LYS 11 4.813 1.533 -0.180
69 1HB LYS 11 1HB LYS 11 3.363 3.153 1.128
70 2HB LYS 11 2HB LYS 11 3.789 2.260 2.586
71 1HG LYS 11 1HG LYS 11 5.277 3.943 2.750
72 2HG LYS 11 2HG LYS 11 6.293 2.821 1.859
73 1HD LYS 11 1HD LYS 11 4.735 5.204 0.733
74 2HD LYS 11 2HD LYS 11 6.465 5.112 1.058
75 1HE LYS 11 1HE LYS 11 6.457 4.792 -1.208
76 2HE LYS 11 2HE LYS 11 6.467 3.117 -0.647
77 1HZ LYS 11 1HZ LYS 11 4.036 3.174 -0.973
78 2HZ LYS 11 2HZ LYS 11 4.159 4.705 -1.562
79 3HZ LYS 11 3HZ LYS 11 4.876 3.453 -2.364
80 H LEU 12 H LEU 12 3.933 -0.389 2.718
81 HA LEU 12 HA LEU 12 6.613 -0.964 3.539
82 1HB LEU 12 1HB LEU 12 3.991 -2.458 3.914
83 2HB LEU 12 2HB LEU 12 5.498 -2.910 4.719
84 HG LEU 12 HG LEU 12 4.218 -0.160 5.018
85 1HD1 LEU 12 1HD1 LEU 12 2.673 -1.892 5.844
86 2HD1 LEU 12 2HD1 LEU 12 3.975 -2.604 6.821
87 3HD1 LEU 12 3HD1 LEU 12 3.369 -0.974 7.190
88 1HD2 LEU 12 1HD2 LEU 12 6.359 -1.619 6.629
89 2HD2 LEU 12 2HD2 LEU 12 6.607 -0.182 5.613
90 3HD2 LEU 12 3HD2 LEU 12 5.622 -0.068 7.073
91 H SER 13 H SER 13 4.309 -2.716 1.435
92 HA SER 13 HA SER 13 5.933 -4.936 0.803
93 1HB SER 13 1HB SER 13 3.524 -4.827 0.363
94 2HB SER 13 2HB SER 13 3.786 -3.578 -0.872
95 HG SER 13 HG SER 13 3.638 -5.681 -1.751
96 H GLN 14 H GLN 14 5.730 -1.680 -0.678
97 HA GLN 14 HA GLN 14 7.513 -2.210 -2.852
98 1HB GLN 14 1HB GLN 14 5.833 -0.341 -2.687
99 2HB GLN 14 2HB GLN 14 6.906 0.453 -1.517
100 1HG GLN 14 1HG GLN 14 8.726 0.368 -3.296
101 2HG GLN 14 2HG GLN 14 7.513 -0.244 -4.425
102 1HE2 GLN 14 2HE2 GLN 14 9.060 2.225 -4.650
103 2HE2 GLN 14 1HE2 GLN 14 7.910 3.545 -4.660
104 H GLU 15 H GLU 15 7.960 -0.868 0.461
105 HA GLU 15 HA GLU 15 10.656 -0.115 0.139
106 1HB GLU 15 1HB GLU 15 9.174 0.764 1.887
107 2HB GLU 15 2HB GLU 15 9.117 -0.822 2.669
108 1HG GLU 15 1HG GLU 15 10.691 0.718 3.787
109 2HG GLU 15 2HG GLU 15 11.514 -0.713 3.166
110 H LEU 16 H LEU 16 9.276 -3.111 1.617
111 HA LEU 16 HA LEU 16 11.811 -4.275 2.142
112 1HB LEU 16 1HB LEU 16 10.676 -6.314 2.601
113 2HB LEU 16 2HB LEU 16 9.824 -4.934 3.282
114 HG LEU 16 HG LEU 16 8.356 -5.105 1.086
115 1HD1 LEU 16 1HD1 LEU 16 9.357 -7.976 1.400
116 2HD1 LEU 16 2HD1 LEU 16 8.003 -7.452 0.380
117 3HD1 LEU 16 3HD1 LEU 16 9.646 -6.953 -0.017
118 1HD2 LEU 16 1HD2 LEU 16 8.147 -7.042 3.427
119 2HD2 LEU 16 2HD2 LEU 16 7.519 -5.381 3.378
120 3HD2 LEU 16 3HD2 LEU 16 6.821 -6.622 2.325
121 H HIS 17 H HIS 17 9.897 -4.105 -0.838
122 HA HIS 17 HA HIS 17 11.431 -6.122 -2.222
123 1HB HIS 17 1HB HIS 17 9.194 -5.601 -2.956
124 2HB HIS 17 2HB HIS 17 9.634 -3.915 -3.264
125 HD1 HIS 17 HD1 HIS 17 10.959 -7.361 -4.366
126 HD2 HIS 17 HD2 HIS 17 10.327 -3.504 -5.881
127 HE1 HIS 17 HE1 HIS 17 11.685 -7.374 -6.802
128 H LYS 18 H LYS 18 11.622 -2.520 -1.972
129 HA LYS 18 HA LYS 18 13.620 -2.129 -3.927
130 1HB LYS 18 1HB LYS 18 12.864 -0.559 -1.442
131 2HB LYS 18 2HB LYS 18 14.194 -0.075 -2.503
132 1HG LYS 18 1HG LYS 18 12.606 -0.121 -4.453
133 2HG LYS 18 2HG LYS 18 11.273 -0.306 -3.314
134 1HD LYS 18 1HD LYS 18 13.298 1.978 -3.409
135 2HD LYS 18 2HD LYS 18 11.647 2.049 -4.031
136 1HE LYS 18 1HE LYS 18 12.376 1.649 -1.091
137 2HE LYS 18 2HE LYS 18 11.913 3.179 -1.841
138 1HZ LYS 18 1HZ LYS 18 9.812 2.252 -2.395
139 2HZ LYS 18 2HZ LYS 18 10.216 0.800 -1.727
140 3HZ LYS 18 3HZ LYS 18 10.077 2.136 -0.771
141 H LEU 19 H LEU 19 14.022 -2.630 -0.360
142 HA LEU 19 HA LEU 19 16.884 -2.622 -0.552
143 1HB LEU 19 1HB LEU 19 16.897 -3.268 1.764
144 2HB LEU 19 2HB LEU 19 15.759 -1.969 1.432
145 HG LEU 19 HG LEU 19 13.993 -3.967 1.303
146 1HD1 LEU 19 1HD1 LEU 19 15.658 -5.809 1.689
147 2HD1 LEU 19 2HD1 LEU 19 16.100 -5.054 3.229
148 3HD1 LEU 19 3HD1 LEU 19 14.467 -5.703 2.988
149 1HD2 LEU 19 1HD2 LEU 19 15.121 -2.802 3.879
150 2HD2 LEU 19 2HD2 LEU 19 13.878 -2.067 2.843
151 3HD2 LEU 19 3HD2 LEU 19 13.529 -3.570 3.713
152 H GLN 20 H GLN 20 14.478 -5.195 -0.936
153 HA GLN 20 HA GLN 20 16.260 -7.408 -0.629
154 1HB GLN 20 1HB GLN 20 13.882 -7.677 -0.432
155 2HB GLN 20 2HB GLN 20 13.618 -7.093 -2.086
156 1HG GLN 20 1HG GLN 20 14.796 -9.092 -2.973
157 2HG GLN 20 2HG GLN 20 15.101 -9.636 -1.313
158 1HE2 GLN 20 2HE2 GLN 20 12.372 -8.551 -3.436
159 2HE2 GLN 20 1HE2 GLN 20 11.224 -9.737 -2.853
160 H THR 21 H THR 21 15.072 -5.658 -3.563
161 HA THR 21 HA THR 21 16.764 -7.257 -5.298
162 HB THR 21 HB THR 21 14.461 -6.428 -5.865
163 HG1 THR 21 HG1 THR 21 15.956 -7.219 -7.381
164 1HG2 THR 21 1HG2 THR 21 14.833 -4.003 -5.151
165 2HG2 THR 21 2HG2 THR 21 15.871 -3.825 -6.582
166 3HG2 THR 21 3HG2 THR 21 14.157 -4.224 -6.774
167 H TYR 22 H TYR 22 17.007 -4.146 -3.693
168 HA TYR 22 HA TYR 22 18.444 -2.454 -3.697
169 1HB TYR 22 1HB TYR 22 20.844 -3.005 -3.602
170 2HB TYR 22 2HB TYR 22 19.779 -3.796 -2.462
171 HD1 TYR 22 HD1 TYR 22 22.063 -4.353 -5.322
172 HD2 TYR 22 HD2 TYR 22 19.454 -6.178 -2.419
173 HE1 TYR 22 HE1 TYR 22 22.936 -6.579 -5.939
174 HE2 TYR 22 HE2 TYR 22 20.324 -8.411 -3.043
175 HH TYR 22 HH TYR 22 21.759 -9.595 -4.398
176 HA PRO 23 HA PRO 23 18.783 -1.917 -8.248
177 1HB PRO 23 1HB PRO 23 17.188 0.226 -8.600
178 2HB PRO 23 2HB PRO 23 16.510 -1.374 -8.203
179 1HG PRO 23 1HG PRO 23 17.088 0.884 -6.263
180 2HG PRO 23 2HG PRO 23 15.563 -0.027 -6.458
181 1HD PRO 23 1HD PRO 23 17.466 -0.661 -4.586
182 2HD PRO 23 2HD PRO 23 16.449 -1.907 -5.367
183 H ARG 24 H ARG 24 21.007 -1.537 -7.097
184 HA ARG 24 HA ARG 24 21.792 1.261 -6.692
185 1HB ARG 24 1HB ARG 24 23.300 -1.374 -6.558
186 2HB ARG 24 2HB ARG 24 23.992 0.218 -6.171
187 1HG ARG 24 1HG ARG 24 22.271 0.548 -4.421
188 2HG ARG 24 2HG ARG 24 21.617 -1.064 -4.743
189 1HD ARG 24 1HD ARG 24 24.453 -0.462 -3.782
190 2HD ARG 24 2HD ARG 24 23.109 -0.986 -2.773
191 HE ARG 24 HE ARG 24 23.151 -3.129 -3.639
192 1HH1 ARG 24 1HH2 ARG 24 25.664 -1.168 -5.255
193 2HH1 ARG 24 2HH2 ARG 24 26.521 -2.576 -5.831
194 1HH2 ARG 24 1HH1 ARG 24 24.304 -4.915 -4.414
195 2HH2 ARG 24 2HH1 ARG 24 25.750 -4.689 -5.369
196 H THR 25 H THR 25 21.076 1.762 -8.939
197 HA THR 25 HA THR 25 23.381 1.857 -10.712
198 HB THR 25 HB THR 25 22.406 -0.298 -11.366
199 HG1 THR 25 HG1 THR 25 23.245 1.114 -12.949
200 1HG2 THR 25 1HG2 THR 25 20.045 0.055 -10.650
201 2HG2 THR 25 2HG2 THR 25 19.829 1.223 -11.973
202 3HG2 THR 25 3HG2 THR 25 20.169 -0.477 -12.334
203 H ASP 26 H ASP 26 23.203 3.517 -12.245
204 HA ASP 26 HA ASP 26 20.829 5.284 -12.189
205 1HB ASP 26 1HB ASP 26 23.658 6.134 -11.421
206 2HB ASP 26 2HB ASP 26 22.330 7.246 -11.763
207 H VAL 27 H VAL 27 20.773 6.745 -13.917
208 HA VAL 27 HA VAL 27 22.833 6.722 -15.981
209 HB VAL 27 HB VAL 27 21.659 4.736 -16.595
210 1HG1 VAL 27 1HG1 VAL 27 19.472 5.088 -15.486
211 2HG1 VAL 27 2HG1 VAL 27 19.026 6.259 -16.744
212 3HG1 VAL 27 3HG1 VAL 27 19.331 4.574 -17.170
213 1HG2 VAL 27 1HG2 VAL 27 22.441 6.246 -18.383
214 2HG2 VAL 27 2HG2 VAL 27 21.058 5.250 -18.871
215 3HG2 VAL 27 3HG2 VAL 27 20.819 6.962 -18.488
216 H GLY 28 H GLY 28 22.920 8.803 -14.966
217 1HA GLY 28 1HA GLY 28 22.491 11.057 -14.889
218 2HA GLY 28 2HA GLY 28 21.246 10.868 -16.139
219 H ALA 29 H ALA 29 21.832 9.693 -12.782
220 HA ALA 29 HA ALA 29 19.278 10.779 -11.812
221 1HB ALA 29 1HB ALA 29 19.896 7.790 -11.856
222 2HB ALA 29 2HB ALA 29 18.531 8.550 -11.010
223 3HB ALA 29 3HB ALA 29 18.623 8.610 -12.780
224 H GLY 30 H GLY 30 19.048 10.394 -9.461
225 1HA GLY 30 1HA GLY 30 21.377 11.370 -8.142
226 2HA GLY 30 2HA GLY 30 19.824 10.954 -7.410
227 H THR 31 H THR 31 23.059 9.845 -8.130
228 HA THR 31 HA THR 31 22.780 7.151 -7.261
229 HB THR 31 HB THR 31 25.302 8.852 -7.350
230 HG1 THR 31 HG1 THR 31 25.475 7.908 -9.403
231 1HG2 THR 31 1HG2 THR 31 24.863 5.836 -7.388
232 2HG2 THR 31 2HG2 THR 31 26.409 6.663 -7.664
233 3HG2 THR 31 3HG2 THR 31 25.626 6.767 -6.080
234 HA PRO 32 HA PRO 32 24.335 8.851 -2.974
235 1HB PRO 32 1HB PRO 32 22.787 11.444 -2.992
236 2HB PRO 32 2HB PRO 32 24.318 11.063 -2.150
237 1HG PRO 32 1HG PRO 32 24.378 12.487 -4.445
238 2HG PRO 32 2HG PRO 32 25.533 11.133 -4.231
239 1HD PRO 32 1HD PRO 32 22.882 11.100 -5.698
240 2HD PRO 32 2HD PRO 32 24.482 10.550 -6.269
241 H1 NAG 33 H1 NAG 33 -7.482 2.845 1.246
242 H2 NAG 33 H2 NAG 33 -10.469 2.199 1.309
243 H3 NAG 33 H3 NAG 33 -8.108 0.599 0.266
244 H4 NAG 33 H4 NAG 33 -10.430 1.935 -1.191
245 H5 NAG 33 H5 NAG 33 -7.473 2.707 -1.131
246 1H6 NAG 33 1H6 NAG 33 -9.865 4.028 -2.485
247 2H6 NAG 33 2H6 NAG 33 -8.515 3.197 -3.302
248 1H8 NAG 33 1H8 NAG 33 -10.537 -0.366 5.237
249 2H8 NAG 33 2H8 NAG 33 -8.938 -0.703 4.540
250 3H8 NAG 33 3H8 NAG 33 -9.249 0.853 5.347
251 HN2 NAG 33 HN2 NAG 33 -8.214 1.191 2.965
252 HO3 NAG 33 HO3 NAG 33 -9.848 -0.635 1.154
253 HO6 NAG 33 HO6 NAG 33 -8.388 5.541 -1.721
254 H1 NAG 34 H1 NAG 34 -9.449 -0.022 -4.051
255 H2 NAG 34 H2 NAG 34 -11.371 -0.180 -1.685
256 H3 NAG 34 H3 NAG 34 -11.589 -1.422 -4.454
257 H4 NAG 34 H4 NAG 34 -13.093 0.770 -2.988
258 H5 NAG 34 H5 NAG 34 -11.243 0.806 -5.416
259 1H6 NAG 34 1H6 NAG 34 -11.532 3.325 -5.180
260 2H6 NAG 34 2H6 NAG 34 -12.982 2.997 -4.205
261 1H8 NAG 34 1H8 NAG 34 -9.524 -4.440 -1.766
262 2H8 NAG 34 2H8 NAG 34 -8.233 -4.407 -2.987
263 3H8 NAG 34 3H8 NAG 34 -8.076 -3.440 -1.504
264 HN2 NAG 34 HN2 NAG 34 -10.207 -2.043 -1.156
265 HO3 NAG 34 HO3 NAG 34 -12.437 -2.705 -2.712
266 HO6 NAG 34 HO6 NAG 34 -13.825 1.893 -6.024
267 H1 MAN 35 H1 MAN 35 -15.099 -0.833 -3.462
268 H2 MAN 35 H2 MAN 35 -14.906 1.620 -2.947
269 H3 MAN 35 H3 MAN 35 -16.783 0.250 -2.207
270 H4 MAN 35 H4 MAN 35 -18.215 1.109 -4.730
271 H5 MAN 35 H5 MAN 35 -17.228 -1.724 -4.151
272 1H6 MAN 35 1H6 MAN 35 -17.785 -2.042 -6.546
273 2H6 MAN 35 2H6 MAN 35 -18.182 -0.312 -6.670
274 HO2 MAN 35 HO2 MAN 35 -16.134 3.017 -4.359
275 HO4 MAN 35 HO4 MAN 35 -19.434 0.656 -2.809
276 H1 MAN 36 H1 MAN 36 -19.998 -1.944 -7.531
277 H2 MAN 36 H2 MAN 36 -20.056 0.557 -7.251
278 H3 MAN 36 H3 MAN 36 -20.783 0.499 -4.908
279 H4 MAN 36 H4 MAN 36 -23.478 -0.321 -6.036
280 H5 MAN 36 H5 MAN 36 -21.525 -1.829 -4.220
281 1H6 MAN 36 1H6 MAN 36 -23.861 -2.397 -3.793
282 2H6 MAN 36 2H6 MAN 36 -23.022 -3.741 -4.606
283 HO2 MAN 36 HO2 MAN 36 -21.436 -0.484 -8.802
284 HO4 MAN 36 HO4 MAN 36 -22.556 0.171 -3.366
285 H1 MAN 37 H1 MAN 37 -15.965 3.507 -2.402
286 H2 MAN 37 H2 MAN 37 -15.717 1.430 -0.851
287 H3 MAN 37 H3 MAN 37 -17.739 1.333 0.228
288 H4 MAN 37 H4 MAN 37 -17.455 4.122 1.386
289 H5 MAN 37 H5 MAN 37 -19.236 3.175 -0.909
290 1H6 MAN 37 1H6 MAN 37 -19.668 5.615 -1.188
291 2H6 MAN 37 2H6 MAN 37 -18.794 5.929 0.329
292 HO3 MAN 37 HO3 MAN 37 -15.877 0.963 1.555
293 HO4 MAN 37 HO4 MAN 37 -19.590 3.673 2.007
294 HO6 MAN 37 HO6 MAN 37 -21.090 4.274 0.040
295 H1 MAN 38 H1 MAN 38 -25.178 -4.411 -5.017
296 H2 MAN 38 H2 MAN 38 -25.551 -4.271 -7.497
297 H3 MAN 38 H3 MAN 38 -25.946 -1.890 -7.714
298 H4 MAN 38 H4 MAN 38 -28.509 -2.352 -6.135
299 H5 MAN 38 H5 MAN 38 -25.948 -0.875 -5.355
300 1H6 MAN 38 1H6 MAN 38 -27.957 0.174 -4.395
301 2H6 MAN 38 2H6 MAN 38 -26.985 -0.643 -3.154
302 HO2 MAN 38 HO2 MAN 38 -26.930 -5.505 -6.096
303 HO3 MAN 38 HO3 MAN 38 -27.911 -2.004 -8.938
304 HO4 MAN 38 HO4 MAN 38 -28.565 -0.689 -7.747
305 HO6 MAN 38 HO6 MAN 38 -29.225 -1.096 -2.963
306 H1 MAN 39 H1 MAN 39 -20.063 2.694 -5.983
307 H2 MAN 39 H2 MAN 39 -20.669 2.001 -3.596
308 H3 MAN 39 H3 MAN 39 -22.976 2.751 -3.579
309 H4 MAN 39 H4 MAN 39 -21.858 5.579 -3.765
310 H5 MAN 39 H5 MAN 39 -23.466 3.960 -5.800
311 1H6 MAN 39 1H6 MAN 39 -22.226 6.741 -5.975
312 2H6 MAN 39 2H6 MAN 39 -23.967 6.382 -5.863
313 HO2 MAN 39 HO2 MAN 39 -20.005 4.743 -4.061
314 HO3 MAN 39 HO3 MAN 39 -21.318 4.281 -1.813
315 HO4 MAN 39 HO4 MAN 39 -23.804 5.289 -2.531
316 HO6 MAN 39 HO6 MAN 39 -23.268 6.700 -8.020
317 H1 MAN 40 H1 MAN 40 -15.834 4.979 0.185
318 H2 MAN 40 H2 MAN 40 -13.567 5.246 -0.809
319 H3 MAN 40 H3 MAN 40 -12.357 3.560 0.454
320 H4 MAN 40 H4 MAN 40 -12.852 5.331 2.887
321 H5 MAN 40 H5 MAN 40 -13.940 2.564 2.167
322 1H6 MAN 40 1H6 MAN 40 -15.412 2.969 4.175
323 2H6 MAN 40 2H6 MAN 40 -14.354 4.329 4.616
324 HO2 MAN 40 HO2 MAN 40 -13.071 7.027 0.601
325 HO3 MAN 40 HO3 MAN 40 -10.574 4.862 1.020
326 HO4 MAN 40 HO4 MAN 40 -11.767 3.616 3.953
327 HO6 MAN 40 HO6 MAN 40 -13.777 2.355 5.646
328 1HN NH2 41 1HN NH2 41 23.139 8.387 -1.040
329 2HN NH2 41 2HN NH2 41 21.410 8.116 -1.060
Start of MODEL 7
1 1H CYS 1 1H CYS 1 -4.652 6.000 -0.837
2 2H CYS 1 2H CYS 1 -3.772 7.297 -1.348
3 3H CYS 1 3H CYS 1 -3.008 5.972 -0.737
4 HA CYS 1 HA CYS 1 -3.995 6.322 1.398
5 1HB CYS 1 1HB CYS 1 -2.197 8.332 0.116
6 2HB CYS 1 2HB CYS 1 -2.899 8.779 1.665
7 H SER 2 H SER 2 -4.835 8.040 2.828
8 HA SER 2 HA SER 2 -6.663 9.295 3.493
9 1HB SER 2 1HB SER 2 -7.131 10.249 1.209
10 2HB SER 2 2HB SER 2 -8.071 8.775 0.845
11 HG SER 2 HG SER 2 -9.354 10.452 1.673
12 H ASN 3 H ASN 3 -6.851 6.334 1.544
13 HA ASN 3 HA ASN 3 -8.754 4.875 3.081
14 1HB ASN 3 1HB ASN 3 -7.916 4.240 0.835
15 2HB ASN 3 2HB ASN 3 -6.302 3.971 1.501
16 1HD2 ASN 3 1HD2 ASN 3 -9.356 2.586 0.858
17 H LEU 4 H LEU 4 -5.166 5.073 3.196
18 HA LEU 4 HA LEU 4 -3.620 4.661 4.766
19 1HB LEU 4 1HB LEU 4 -5.773 5.457 6.763
20 2HB LEU 4 2HB LEU 4 -4.024 5.489 7.009
21 HG LEU 4 HG LEU 4 -5.596 7.232 5.068
22 1HD1 LEU 4 1HD1 LEU 4 -5.897 7.817 7.441
23 2HD1 LEU 4 2HD1 LEU 4 -4.133 7.906 7.647
24 3HD1 LEU 4 3HD1 LEU 4 -4.967 9.055 6.578
25 1HD2 LEU 4 1HD2 LEU 4 -2.609 7.160 5.672
26 2HD2 LEU 4 2HD2 LEU 4 -3.392 6.811 4.113
27 3HD2 LEU 4 3HD2 LEU 4 -3.436 8.449 4.770
28 H SER 5 H SER 5 -4.487 2.384 3.856
29 HA SER 5 HA SER 5 -3.797 0.613 6.014
30 1HB SER 5 1HB SER 5 -6.237 0.700 6.439
31 2HB SER 5 2HB SER 5 -6.559 0.235 4.760
32 HG SER 5 HG SER 5 -5.379 -1.691 5.181
33 H THR 6 H THR 6 -5.380 0.693 2.787
34 HA THR 6 HA THR 6 -3.756 -1.396 1.624
35 HB THR 6 HB THR 6 -4.735 -0.531 -0.495
36 HG1 THR 6 HG1 THR 6 -6.294 1.119 -0.307
37 1HG2 THR 6 1HG2 THR 6 -5.963 -2.200 0.878
38 2HG2 THR 6 2HG2 THR 6 -6.779 -0.879 1.737
39 3HG2 THR 6 3HG2 THR 6 -7.044 -1.106 -0.004
40 H CYS 7 H CYS 7 -3.622 2.173 1.794
41 HA CYS 7 HA CYS 7 -1.525 2.588 -0.060
42 1HB CYS 7 1HB CYS 7 -3.064 4.310 0.763
43 2HB CYS 7 2HB CYS 7 -2.338 4.223 2.370
44 H VAL 8 H VAL 8 -1.435 2.395 3.548
45 HA VAL 8 HA VAL 8 1.382 2.644 3.718
46 HB VAL 8 HB VAL 8 -0.210 3.199 5.509
47 1HG1 VAL 8 1HG2 VAL 8 -1.702 1.262 5.364
48 2HG1 VAL 8 2HG2 VAL 8 -0.431 0.207 6.025
49 3HG1 VAL 8 3HG2 VAL 8 -1.104 1.521 7.007
50 1HG2 VAL 8 1HG1 VAL 8 2.208 2.887 5.975
51 2HG2 VAL 8 2HG1 VAL 8 1.193 2.458 7.362
52 3HG2 VAL 8 3HG1 VAL 8 1.907 1.180 6.363
53 H LEU 9 H LEU 9 -0.742 -0.224 3.484
54 HA LEU 9 HA LEU 9 1.231 -2.213 3.897
55 1HB LEU 9 1HB LEU 9 -1.126 -2.705 3.982
56 2HB LEU 9 2HB LEU 9 -1.354 -2.164 2.312
57 HG LEU 9 HG LEU 9 -0.028 -4.045 1.475
58 1HD1 LEU 9 1HD1 LEU 9 0.181 -4.868 4.412
59 2HD1 LEU 9 2HD1 LEU 9 0.601 -5.904 3.032
60 3HD1 LEU 9 3HD1 LEU 9 1.535 -4.438 3.345
61 1HD2 LEU 9 1HD2 LEU 9 -2.479 -4.236 1.839
62 2HD2 LEU 9 2HD2 LEU 9 -1.647 -5.797 1.982
63 3HD2 LEU 9 3HD2 LEU 9 -2.179 -4.933 3.442
64 H GLY 10 H GLY 10 0.067 -0.558 0.915
65 1HA GLY 10 1HA GLY 10 1.730 -1.859 -0.971
66 2HA GLY 10 2HA GLY 10 1.025 -0.239 -1.121
67 H LYS 11 H LYS 11 2.273 1.063 1.049
68 HA LYS 11 HA LYS 11 4.701 1.877 -0.131
69 1HB LYS 11 1HB LYS 11 3.272 3.313 1.250
70 2HB LYS 11 2HB LYS 11 3.645 2.333 2.679
71 1HG LYS 11 1HG LYS 11 6.024 2.968 2.530
72 2HG LYS 11 2HG LYS 11 5.718 3.816 1.010
73 1HD LYS 11 1HD LYS 11 5.906 5.380 2.889
74 2HD LYS 11 2HD LYS 11 4.314 5.460 2.125
75 1HE LYS 11 1HE LYS 11 4.211 5.581 4.601
76 2HE LYS 11 2HE LYS 11 3.304 4.208 3.963
77 1HZ LYS 11 1HZ LYS 11 6.012 4.094 5.096
78 2HZ LYS 11 2HZ LYS 11 4.626 3.624 5.857
79 3HZ LYS 11 3HZ LYS 11 5.153 2.805 4.528
80 H LEU 12 H LEU 12 4.171 0.008 2.943
81 HA LEU 12 HA LEU 12 6.963 -0.382 3.352
82 1HB LEU 12 1HB LEU 12 6.400 -1.762 5.193
83 2HB LEU 12 2HB LEU 12 5.343 -0.358 5.133
84 HG LEU 12 HG LEU 12 3.694 -2.055 3.888
85 1HD1 LEU 12 1HD1 LEU 12 5.287 -4.018 3.922
86 2HD1 LEU 12 2HD1 LEU 12 5.337 -3.904 5.687
87 3HD1 LEU 12 3HD1 LEU 12 3.824 -4.319 4.862
88 1HD2 LEU 12 1HD2 LEU 12 3.223 -0.859 5.992
89 2HD2 LEU 12 2HD2 LEU 12 2.674 -2.540 6.081
90 3HD2 LEU 12 3HD2 LEU 12 4.177 -2.053 6.894
91 H SER 13 H SER 13 4.508 -2.344 1.646
92 HA SER 13 HA SER 13 6.084 -4.679 1.286
93 1HB SER 13 1HB SER 13 3.680 -4.631 0.857
94 2HB SER 13 2HB SER 13 3.908 -3.481 -0.480
95 HG SER 13 HG SER 13 3.755 -5.649 -1.183
96 H GLN 14 H GLN 14 5.662 -1.759 -0.774
97 HA GLN 14 HA GLN 14 7.469 -2.462 -2.823
98 1HB GLN 14 1HB GLN 14 5.780 -0.691 -2.979
99 2HB GLN 14 2HB GLN 14 6.660 0.287 -1.791
100 1HG GLN 14 1HG GLN 14 8.608 0.402 -3.330
101 2HG GLN 14 2HG GLN 14 7.740 -0.601 -4.505
102 1HE2 GLN 14 2HE2 GLN 14 5.523 0.301 -5.202
103 2HE2 GLN 14 1HE2 GLN 14 5.428 2.032 -5.446
104 H GLU 15 H GLU 15 7.992 -0.712 0.280
105 HA GLU 15 HA GLU 15 10.641 0.085 -0.258
106 1HB GLU 15 1HB GLU 15 9.183 1.082 1.469
107 2HB GLU 15 2HB GLU 15 9.265 -0.410 2.416
108 1HG GLU 15 1HG GLU 15 10.792 1.276 3.307
109 2HG GLU 15 2HG GLU 15 11.701 -0.112 2.711
110 H LEU 16 H LEU 16 9.422 -2.737 1.646
111 HA LEU 16 HA LEU 16 12.018 -3.821 2.165
112 1HB LEU 16 1HB LEU 16 9.175 -4.805 2.358
113 2HB LEU 16 2HB LEU 16 10.474 -5.983 2.442
114 HG LEU 16 HG LEU 16 9.657 -5.187 4.645
115 1HD1 LEU 16 1HD1 LEU 16 11.869 -6.251 4.360
116 2HD1 LEU 16 2HD1 LEU 16 12.616 -4.654 4.150
117 3HD1 LEU 16 3HD1 LEU 16 11.845 -5.078 5.686
118 1HD2 LEU 16 1HD2 LEU 16 9.347 -2.778 4.157
119 2HD2 LEU 16 2HD2 LEU 16 10.386 -3.053 5.559
120 3HD2 LEU 16 3HD2 LEU 16 11.108 -2.579 4.015
121 H HIS 17 H HIS 17 9.727 -4.288 -0.541
122 HA HIS 17 HA HIS 17 11.124 -6.449 -1.784
123 1HB HIS 17 1HB HIS 17 8.832 -5.890 -2.352
124 2HB HIS 17 2HB HIS 17 9.314 -4.285 -2.915
125 HD1 HIS 17 HD1 HIS 17 10.296 -4.065 -5.270
126 HD2 HIS 17 HD2 HIS 17 9.630 -8.040 -4.116
127 HE1 HIS 17 HE1 HIS 17 10.610 -5.517 -7.334
128 H LYS 18 H LYS 18 11.381 -2.888 -2.092
129 HA LYS 18 HA LYS 18 13.274 -2.804 -4.197
130 1HB LYS 18 1HB LYS 18 11.846 -0.947 -3.472
131 2HB LYS 18 2HB LYS 18 12.741 -0.821 -1.947
132 1HG LYS 18 1HG LYS 18 14.829 -0.359 -3.309
133 2HG LYS 18 2HG LYS 18 13.807 -0.313 -4.755
134 1HD LYS 18 1HD LYS 18 13.579 1.491 -2.296
135 2HD LYS 18 2HD LYS 18 14.284 1.935 -3.859
136 1HE LYS 18 1HE LYS 18 12.050 1.539 -4.939
137 2HE LYS 18 2HE LYS 18 11.357 1.250 -3.328
138 1HZ LYS 18 1HZ LYS 18 12.016 3.437 -2.704
139 2HZ LYS 18 2HZ LYS 18 12.652 3.722 -4.199
140 3HZ LYS 18 3HZ LYS 18 11.030 3.477 -4.026
141 H LEU 19 H LEU 19 13.674 -2.706 -0.620
142 HA LEU 19 HA LEU 19 16.548 -2.620 -0.674
143 1HB LEU 19 1HB LEU 19 14.510 -3.323 1.476
144 2HB LEU 19 2HB LEU 19 16.242 -3.203 1.791
145 HG LEU 19 HG LEU 19 14.586 -0.917 0.661
146 1HD1 LEU 19 1HD1 LEU 19 13.735 -1.581 2.881
147 2HD1 LEU 19 2HD1 LEU 19 15.380 -1.495 3.547
148 3HD1 LEU 19 3HD1 LEU 19 14.574 -0.022 2.965
149 1HD2 LEU 19 1HD2 LEU 19 17.344 -1.002 1.970
150 2HD2 LEU 19 2HD2 LEU 19 17.013 -0.659 0.258
151 3HD2 LEU 19 3HD2 LEU 19 16.472 0.471 1.503
152 H GLN 20 H GLN 20 14.619 -5.207 0.811
153 HA GLN 20 HA GLN 20 14.736 -7.396 0.904
154 1HB GLN 20 1HB GLN 20 14.103 -7.051 -1.448
155 2HB GLN 20 2HB GLN 20 15.768 -7.303 -1.966
156 1HG GLN 20 1HG GLN 20 14.136 -9.331 -0.351
157 2HG GLN 20 2HG GLN 20 14.151 -9.267 -2.113
158 1HE2 GLN 20 2HE2 GLN 20 15.930 -10.302 0.714
159 2HE2 GLN 20 1HE2 GLN 20 17.254 -11.052 -0.152
160 H THR 21 H THR 21 17.676 -7.071 -1.127
161 HA THR 21 HA THR 21 19.270 -8.555 0.861
162 HB THR 21 HB THR 21 20.012 -7.434 -1.873
163 HG1 THR 21 HG1 THR 21 19.778 -9.612 -2.477
164 1HG2 THR 21 1HG2 THR 21 21.415 -9.456 -0.060
165 2HG2 THR 21 2HG2 THR 21 21.919 -9.006 -1.701
166 3HG2 THR 21 3HG2 THR 21 21.992 -7.811 -0.397
167 H TYR 22 H TYR 22 19.245 -5.393 -0.823
168 HA TYR 22 HA TYR 22 20.350 -3.472 -0.530
169 1HB TYR 22 1HB TYR 22 19.875 -2.284 1.468
170 2HB TYR 22 2HB TYR 22 18.486 -3.151 0.847
171 HD1 TYR 22 HD1 TYR 22 20.575 -2.568 3.747
172 HD2 TYR 22 HD2 TYR 22 17.632 -5.205 2.033
173 HE1 TYR 22 HE1 TYR 22 20.098 -3.494 5.989
174 HE2 TYR 22 HE2 TYR 22 17.165 -6.144 4.275
175 HH TYR 22 HH TYR 22 18.885 -5.018 7.213
176 HA PRO 23 HA PRO 23 24.376 -5.173 1.083
177 1HB PRO 23 1HB PRO 23 25.876 -4.665 -1.151
178 2HB PRO 23 2HB PRO 23 24.936 -6.163 -0.903
179 1HG PRO 23 1HG PRO 23 24.135 -3.731 -2.504
180 2HG PRO 23 2HG PRO 23 24.002 -5.448 -2.965
181 1HD PRO 23 1HD PRO 23 21.904 -4.029 -1.964
182 2HD PRO 23 2HD PRO 23 22.109 -5.763 -1.594
183 H ARG 24 H ARG 24 23.722 -2.337 -1.042
184 HA ARG 24 HA ARG 24 25.452 -0.495 0.316
185 1HB ARG 24 1HB ARG 24 24.729 0.042 -1.899
186 2HB ARG 24 2HB ARG 24 23.031 -0.243 -1.496
187 1HG ARG 24 1HG ARG 24 23.434 2.125 -1.738
188 2HG ARG 24 2HG ARG 24 22.967 1.759 -0.082
189 1HD ARG 24 1HD ARG 24 25.455 1.807 0.517
190 2HD ARG 24 2HD ARG 24 25.768 2.395 -1.115
191 HE ARG 24 HE ARG 24 24.620 3.800 1.176
192 1HH1 ARG 24 1HH2 ARG 24 24.870 3.857 -2.379
193 2HH1 ARG 24 2HH2 ARG 24 24.490 5.559 -2.481
194 1HH2 ARG 24 1HH1 ARG 24 24.113 6.008 0.996
195 2HH2 ARG 24 2HH1 ARG 24 24.058 6.776 -0.575
196 H THR 25 H THR 25 25.121 0.554 2.201
197 HA THR 25 HA THR 25 22.440 1.150 3.152
198 HB THR 25 HB THR 25 22.774 -1.018 4.195
199 HG1 THR 25 HG1 THR 25 23.147 1.091 6.044
200 1HG2 THR 25 1HG2 THR 25 25.262 -1.119 4.233
201 2HG2 THR 25 2HG2 THR 25 25.281 0.107 5.521
202 3HG2 THR 25 3HG2 THR 25 24.535 -1.472 5.807
203 H ASP 26 H ASP 26 22.393 3.086 4.081
204 HA ASP 26 HA ASP 26 22.927 5.075 4.888
205 1HB ASP 26 1HB ASP 26 25.568 3.887 5.840
206 2HB ASP 26 2HB ASP 26 24.812 5.388 6.368
207 H VAL 27 H VAL 27 26.232 4.148 3.883
208 HA VAL 27 HA VAL 27 26.245 6.305 1.824
209 HB VAL 27 HB VAL 27 28.503 6.907 2.538
210 1HG1 VAL 27 1HG1 VAL 27 26.524 8.177 3.334
211 2HG1 VAL 27 2HG1 VAL 27 26.484 7.178 4.804
212 3HG1 VAL 27 3HG1 VAL 27 27.877 8.225 4.478
213 1HG2 VAL 27 1HG2 VAL 27 28.016 5.111 4.960
214 2HG2 VAL 27 2HG2 VAL 27 29.243 4.866 3.697
215 3HG2 VAL 27 3HG2 VAL 27 29.347 6.264 4.769
216 H GLY 28 H GLY 28 27.493 3.192 2.993
217 1HA GLY 28 1HA GLY 28 27.913 2.206 0.315
218 2HA GLY 28 2HA GLY 28 29.442 2.575 1.140
219 H ALA 29 H ALA 29 30.250 0.963 2.369
220 HA ALA 29 HA ALA 29 30.494 -0.964 3.519
221 1HB ALA 29 1HB ALA 29 29.570 0.497 5.241
222 2HB ALA 29 2HB ALA 29 27.917 0.011 4.821
223 3HB ALA 29 3HB ALA 29 29.049 -1.180 5.496
224 H GLY 30 H GLY 30 30.232 -2.288 1.619
225 1HA GLY 30 1HA GLY 30 27.791 -3.371 0.677
226 2HA GLY 30 2HA GLY 30 29.415 -4.006 0.397
227 H THR 31 H THR 31 26.647 -4.061 2.580
228 HA THR 31 HA THR 31 27.289 -6.765 3.538
229 HB THR 31 HB THR 31 26.894 -4.366 5.385
230 HG1 THR 31 HG1 THR 31 29.128 -6.036 4.889
231 1HG2 THR 31 1HG2 THR 31 27.357 -7.317 6.018
232 2HG2 THR 31 2HG2 THR 31 27.333 -5.994 7.200
233 3HG2 THR 31 3HG2 THR 31 25.856 -6.412 6.320
234 HA PRO 32 HA PRO 32 22.896 -6.432 2.670
235 1HB PRO 32 1HB PRO 32 22.080 -9.004 3.041
236 2HB PRO 32 2HB PRO 32 23.165 -8.527 1.703
237 1HG PRO 32 1HG PRO 32 23.975 -9.659 4.396
238 2HG PRO 32 2HG PRO 32 24.460 -10.246 2.777
239 1HD PRO 32 1HD PRO 32 26.026 -8.550 4.213
240 2HD PRO 32 2HD PRO 32 25.883 -8.374 2.436
241 H1 NAG 33 H1 NAG 33 -8.637 0.106 2.387
242 H2 NAG 33 H2 NAG 33 -11.392 1.252 1.760
243 H3 NAG 33 H3 NAG 33 -10.562 -1.181 3.367
244 H4 NAG 33 H4 NAG 33 -11.942 -1.033 0.654
245 H5 NAG 33 H5 NAG 33 -9.082 -1.904 1.255
246 1H6 NAG 33 1H6 NAG 33 -10.079 -3.135 -0.635
247 2H6 NAG 33 2H6 NAG 33 -8.848 -1.988 -1.193
248 1H8 NAG 33 1H8 NAG 33 -11.523 2.883 5.921
249 2H8 NAG 33 2H8 NAG 33 -9.754 2.823 5.762
250 3H8 NAG 33 3H8 NAG 33 -10.635 4.302 5.322
251 HN2 NAG 33 HN2 NAG 33 -10.336 0.824 4.508
252 HO3 NAG 33 HO3 NAG 33 -13.119 -0.209 2.508
253 HO6 NAG 33 HO6 NAG 33 -10.756 -1.912 -2.453
254 H1 NAG 34 H1 NAG 34 -11.823 -3.063 3.544
255 H2 NAG 34 H2 NAG 34 -11.104 -5.484 1.823
256 H3 NAG 34 H3 NAG 34 -11.896 -5.236 4.755
257 H4 NAG 34 H4 NAG 34 -9.229 -5.954 3.475
258 H5 NAG 34 H5 NAG 34 -10.147 -3.470 5.003
259 1H6 NAG 34 1H6 NAG 34 -7.403 -4.246 3.948
260 2H6 NAG 34 2H6 NAG 34 -7.860 -3.695 5.588
261 1H8 NAG 34 1H8 NAG 34 -15.485 -6.220 1.690
262 2H8 NAG 34 2H8 NAG 34 -15.604 -4.463 1.446
263 3H8 NAG 34 3H8 NAG 34 -15.454 -5.547 0.046
264 HN2 NAG 34 HN2 NAG 34 -13.722 -5.152 3.186
265 HO3 NAG 34 HO3 NAG 34 -11.324 -7.499 4.718
266 HO6 NAG 34 HO6 NAG 34 -6.927 -2.019 4.411
267 H1 MAN 35 H1 MAN 35 -7.548 -5.724 5.961
268 H2 MAN 35 H2 MAN 35 -8.543 -6.720 7.966
269 H3 MAN 35 H3 MAN 35 -6.197 -7.117 7.604
270 H4 MAN 35 H4 MAN 35 -6.987 -9.581 5.997
271 H5 MAN 35 H5 MAN 35 -5.811 -6.898 5.128
272 1H6 MAN 35 1H6 MAN 35 -6.534 -9.343 3.465
273 2H6 MAN 35 2H6 MAN 35 -4.885 -8.735 3.790
274 HO2 MAN 35 HO2 MAN 35 -9.207 -8.949 7.845
275 HO4 MAN 35 HO4 MAN 35 -4.465 -8.335 6.562
276 H1 MAN 36 H1 MAN 36 -5.249 -9.083 1.508
277 H2 MAN 36 H2 MAN 36 -3.701 -7.089 1.581
278 H3 MAN 36 H3 MAN 36 -5.309 -5.321 1.374
279 H4 MAN 36 H4 MAN 36 -5.965 -6.318 -1.424
280 H5 MAN 36 H5 MAN 36 -7.566 -6.350 1.171
281 1H6 MAN 36 1H6 MAN 36 -8.254 -7.107 -1.676
282 2H6 MAN 36 2H6 MAN 36 -9.156 -6.054 -0.571
283 HO2 MAN 36 HO2 MAN 36 -3.606 -8.737 -0.037
284 HO4 MAN 36 HO4 MAN 36 -7.021 -4.213 0.222
285 H1 MAN 37 H1 MAN 37 -5.376 -7.932 9.564
286 H2 MAN 37 H2 MAN 37 -5.698 -10.304 10.297
287 H3 MAN 37 H3 MAN 37 -8.123 -10.397 10.293
288 H4 MAN 37 H4 MAN 37 -8.003 -8.435 12.622
289 H5 MAN 37 H5 MAN 37 -9.025 -8.064 9.768
290 1H6 MAN 37 1H6 MAN 37 -10.309 -6.742 11.408
291 2H6 MAN 37 2H6 MAN 37 -9.294 -5.709 10.380
292 HO3 MAN 37 HO3 MAN 37 -7.110 -10.597 12.965
293 HO4 MAN 37 HO4 MAN 37 -9.727 -9.989 12.653
294 HO6 MAN 37 HO6 MAN 37 -9.162 -5.150 12.600
295 H1 MAN 38 H1 MAN 38 -9.448 -7.064 1.566
296 H2 MAN 38 H2 MAN 38 -8.269 -9.289 1.856
297 H3 MAN 38 H3 MAN 38 -9.622 -10.651 0.383
298 H4 MAN 38 H4 MAN 38 -11.885 -10.171 2.367
299 H5 MAN 38 H5 MAN 38 -11.530 -9.214 -0.518
300 1H6 MAN 38 1H6 MAN 38 -13.893 -9.693 0.047
301 2H6 MAN 38 2H6 MAN 38 -13.591 -7.959 -0.153
302 HO2 MAN 38 HO2 MAN 38 -9.399 -8.117 3.570
303 HO3 MAN 38 HO3 MAN 38 -9.972 -11.394 3.130
304 HO4 MAN 38 HO4 MAN 38 -13.058 -11.392 0.814
305 HO6 MAN 38 HO6 MAN 38 -13.438 -7.823 2.141
306 H1 MAN 39 H1 MAN 39 -3.668 -6.145 -1.846
307 H2 MAN 39 H2 MAN 39 -1.517 -5.201 -0.976
308 H3 MAN 39 H3 MAN 39 -2.266 -2.954 -0.403
309 H4 MAN 39 H4 MAN 39 -2.682 -2.597 -3.402
310 H5 MAN 39 H5 MAN 39 -4.662 -2.721 -1.075
311 1H6 MAN 39 1H6 MAN 39 -5.409 -1.132 -2.820
312 2H6 MAN 39 2H6 MAN 39 -6.409 -2.598 -2.785
313 HO2 MAN 39 HO2 MAN 39 -1.813 -5.939 -3.153
314 HO3 MAN 39 HO3 MAN 39 -0.434 -2.944 -2.607
315 HO4 MAN 39 HO4 MAN 39 -1.936 -0.731 -2.214
316 HO6 MAN 39 HO6 MAN 39 -5.152 -3.378 -4.542
317 H1 MAN 40 H1 MAN 40 -3.682 -9.249 11.047
318 H2 MAN 40 H2 MAN 40 -4.648 -11.460 11.853
319 H3 MAN 40 H3 MAN 40 -5.552 -10.732 13.984
320 H4 MAN 40 H4 MAN 40 -2.678 -10.229 14.849
321 H5 MAN 40 H5 MAN 40 -4.949 -8.255 14.305
322 1H6 MAN 40 1H6 MAN 40 -2.037 -7.798 15.091
323 2H6 MAN 40 2H6 MAN 40 -3.457 -7.510 16.127
324 HO2 MAN 40 HO2 MAN 40 -2.112 -10.646 12.905
325 HO3 MAN 40 HO3 MAN 40 -4.744 -12.899 13.811
326 HO4 MAN 40 HO4 MAN 40 -3.751 -9.454 16.731
327 HO6 MAN 40 HO6 MAN 40 -2.732 -5.611 15.077
328 1HN NH2 41 1HN NH2 41 20.800 -6.550 3.770
329 2HN NH2 41 2HN NH2 41 20.727 -6.557 5.520
Start of MODEL 8
1 1H CYS 1 1H CYS 1 -6.418 4.227 -2.734
2 2H CYS 1 2H CYS 1 -6.076 5.712 -3.367
3 3H CYS 1 3H CYS 1 -4.939 4.518 -3.404
4 HA CYS 1 HA CYS 1 -4.770 4.490 -1.061
5 1HB CYS 1 1HB CYS 1 -3.412 6.009 -2.567
6 2HB CYS 1 2HB CYS 1 -4.420 7.336 -2.015
7 H SER 2 H SER 2 -7.091 4.052 -0.491
8 HA SER 2 HA SER 2 -9.087 5.907 0.023
9 1HB SER 2 1HB SER 2 -8.401 3.336 1.509
10 2HB SER 2 2HB SER 2 -9.936 4.224 1.643
11 HG SER 2 HG SER 2 -10.174 3.937 -0.617
12 H ASN 3 H ASN 3 -7.578 4.502 2.941
13 HA ASN 3 HA ASN 3 -5.613 6.118 3.224
14 1HB ASN 3 1HB ASN 3 -7.860 7.813 4.087
15 2HB ASN 3 2HB ASN 3 -6.744 7.562 5.409
16 1HD2 ASN 3 1HD2 ASN 3 -4.487 7.827 5.084
17 H LEU 4 H LEU 4 -4.288 5.918 4.930
18 HA LEU 4 HA LEU 4 -3.217 4.832 6.556
19 1HB LEU 4 1HB LEU 4 -5.831 5.327 8.033
20 2HB LEU 4 2HB LEU 4 -4.242 5.072 8.769
21 HG LEU 4 HG LEU 4 -5.061 7.441 7.033
22 1HD1 LEU 4 1HD1 LEU 4 -6.044 7.427 9.291
23 2HD1 LEU 4 2HD1 LEU 4 -4.425 7.234 10.000
24 3HD1 LEU 4 3HD1 LEU 4 -4.841 8.716 9.113
25 1HD2 LEU 4 1HD2 LEU 4 -2.408 6.834 8.413
26 2HD2 LEU 4 2HD2 LEU 4 -2.675 7.008 6.663
27 3HD2 LEU 4 3HD2 LEU 4 -2.861 8.406 7.722
28 H SER 5 H SER 5 -3.557 2.952 5.038
29 HA SER 5 HA SER 5 -3.349 0.573 6.363
30 1HB SER 5 1HB SER 5 -5.490 -0.617 5.636
31 2HB SER 5 2HB SER 5 -5.655 0.435 7.038
32 HG SER 5 HG SER 5 -7.327 0.740 5.518
33 H THR 6 H THR 6 -5.254 1.660 3.607
34 HA THR 6 HA THR 6 -4.502 0.187 1.470
35 HB THR 6 HB THR 6 -6.181 1.981 1.574
36 HG1 THR 6 HG1 THR 6 -5.365 1.288 -0.426
37 1HG2 THR 6 1HG2 THR 6 -4.672 3.706 2.821
38 2HG2 THR 6 2HG2 THR 6 -4.011 4.091 1.223
39 3HG2 THR 6 3HG2 THR 6 -5.704 4.307 1.549
40 H CYS 7 H CYS 7 -2.725 3.015 2.706
41 HA CYS 7 HA CYS 7 -0.542 2.622 0.729
42 1HB CYS 7 1HB CYS 7 -1.929 4.971 1.972
43 2HB CYS 7 2HB CYS 7 -0.255 5.143 1.421
44 H VAL 8 H VAL 8 -1.253 2.212 4.065
45 HA VAL 8 HA VAL 8 1.481 2.502 5.027
46 HB VAL 8 HB VAL 8 -0.872 0.843 6.042
47 1HG1 VAL 8 1HG2 VAL 8 1.791 1.552 7.350
48 2HG1 VAL 8 2HG2 VAL 8 0.423 0.763 8.162
49 3HG1 VAL 8 3HG2 VAL 8 1.266 -0.072 6.852
50 1HG2 VAL 8 1HG1 VAL 8 0.206 3.554 6.937
51 2HG2 VAL 8 2HG1 VAL 8 -1.348 3.260 6.128
52 3HG2 VAL 8 3HG1 VAL 8 -1.071 2.626 7.753
53 H LEU 9 H LEU 9 -0.659 -0.158 3.927
54 HA LEU 9 HA LEU 9 1.276 -2.204 3.572
55 1HB LEU 9 1HB LEU 9 -1.348 -1.573 2.168
56 2HB LEU 9 2HB LEU 9 -0.446 -3.065 1.901
57 HG LEU 9 HG LEU 9 -1.452 -2.209 4.654
58 1HD1 LEU 9 1HD1 LEU 9 -3.346 -2.521 3.093
59 2HD1 LEU 9 2HD1 LEU 9 -2.711 -4.116 2.638
60 3HD1 LEU 9 3HD1 LEU 9 -3.279 -3.820 4.296
61 1HD2 LEU 9 1HD2 LEU 9 -0.431 -4.872 3.568
62 2HD2 LEU 9 2HD2 LEU 9 0.384 -3.846 4.769
63 3HD2 LEU 9 3HD2 LEU 9 -1.148 -4.624 5.172
64 H GLY 10 H GLY 10 0.173 0.446 1.419
65 1HA GLY 10 1HA GLY 10 1.606 -0.192 -0.907
66 2HA GLY 10 2HA GLY 10 1.190 1.440 -0.364
67 H LYS 11 H LYS 11 2.648 1.810 1.921
68 HA LYS 11 HA LYS 11 5.219 2.439 0.951
69 1HB LYS 11 1HB LYS 11 3.813 3.407 2.894
70 2HB LYS 11 2HB LYS 11 4.526 2.179 3.907
71 1HG LYS 11 1HG LYS 11 5.940 4.325 2.256
72 2HG LYS 11 2HG LYS 11 5.621 4.434 3.981
73 1HD LYS 11 1HD LYS 11 7.519 2.396 2.725
74 2HD LYS 11 2HD LYS 11 7.965 3.967 3.355
75 1HE LYS 11 1HE LYS 11 8.512 2.473 5.058
76 2HE LYS 11 2HE LYS 11 7.054 3.307 5.616
77 1HZ LYS 11 1HZ LYS 11 7.128 0.643 4.375
78 2HZ LYS 11 2HZ LYS 11 7.066 0.928 5.996
79 3HZ LYS 11 3HZ LYS 11 5.806 1.369 5.040
80 H LEU 12 H LEU 12 4.180 -0.136 3.249
81 HA LEU 12 HA LEU 12 6.651 -1.393 3.649
82 1HB LEU 12 1HB LEU 12 3.825 -2.502 3.590
83 2HB LEU 12 2HB LEU 12 5.213 -3.428 4.167
84 HG LEU 12 HG LEU 12 4.459 -0.732 5.360
85 1HD1 LEU 12 1HD2 LEU 12 3.605 -3.511 6.270
86 2HD1 LEU 12 2HD2 LEU 12 3.348 -2.000 7.170
87 3HD1 LEU 12 3HD2 LEU 12 2.541 -2.249 5.614
88 1HD2 LEU 12 1HD1 LEU 12 6.121 -3.066 6.420
89 2HD2 LEU 12 2HD1 LEU 12 6.770 -1.512 5.861
90 3HD2 LEU 12 3HD1 LEU 12 5.750 -1.571 7.302
91 H SER 13 H SER 13 4.331 -1.834 0.964
92 HA SER 13 HA SER 13 5.577 -4.071 -0.235
93 1HB SER 13 1HB SER 13 3.331 -3.174 -0.837
94 2HB SER 13 2HB SER 13 4.122 -1.823 -1.678
95 HG SER 13 HG SER 13 5.181 -3.375 -2.976
96 H GLN 14 H GLN 14 6.224 -0.541 -0.631
97 HA GLN 14 HA GLN 14 8.283 -0.866 -2.590
98 1HB GLN 14 1HB GLN 14 7.959 1.417 -0.600
99 2HB GLN 14 2HB GLN 14 8.903 1.419 -2.090
100 1HG GLN 14 1HG GLN 14 5.888 1.323 -1.809
101 2HG GLN 14 2HG GLN 14 6.867 2.594 -2.529
102 1HE2 GLN 14 2HE2 GLN 14 8.273 1.831 -4.474
103 2HE2 GLN 14 1HE2 GLN 14 7.488 0.752 -5.608
104 H GLU 15 H GLU 15 8.366 -0.970 0.996
105 HA GLU 15 HA GLU 15 11.228 -0.915 1.195
106 1HB GLU 15 1HB GLU 15 9.254 -2.246 3.097
107 2HB GLU 15 2HB GLU 15 10.929 -1.801 3.432
108 1HG GLU 15 1HG GLU 15 8.602 0.081 2.921
109 2HG GLU 15 2HG GLU 15 9.461 -0.172 4.437
110 H LEU 16 H LEU 16 8.858 -3.602 0.927
111 HA LEU 16 HA LEU 16 10.735 -5.732 1.022
112 1HB LEU 16 1HB LEU 16 8.013 -5.492 -0.304
113 2HB LEU 16 2HB LEU 16 8.910 -7.007 -0.184
114 HG LEU 16 HG LEU 16 8.115 -5.363 2.261
115 1HD1 LEU 16 1HD1 LEU 16 6.098 -6.068 1.030
116 2HD1 LEU 16 2HD1 LEU 16 6.697 -7.740 0.990
117 3HD1 LEU 16 3HD1 LEU 16 6.273 -6.978 2.538
118 1HD2 LEU 16 1HD2 LEU 16 9.046 -8.250 1.926
119 2HD2 LEU 16 2HD2 LEU 16 9.955 -6.939 2.708
120 3HD2 LEU 16 3HD2 LEU 16 8.462 -7.528 3.439
121 H HIS 17 H HIS 17 9.505 -3.790 -1.749
122 HA HIS 17 HA HIS 17 10.868 -5.241 -3.785
123 1HB HIS 17 1HB HIS 17 10.127 -2.292 -3.716
124 2HB HIS 17 2HB HIS 17 10.546 -3.234 -5.148
125 HD1 HIS 17 HD1 HIS 17 8.652 -5.731 -3.864
126 HD2 HIS 17 HD2 HIS 17 7.590 -1.835 -4.982
127 HE1 HIS 17 HE1 HIS 17 6.151 -5.726 -4.309
128 H LYS 18 H LYS 18 11.833 -2.415 -1.806
129 HA LYS 18 HA LYS 18 14.196 -1.775 -3.143
130 1HB LYS 18 1HB LYS 18 13.026 -0.302 -1.551
131 2HB LYS 18 2HB LYS 18 13.432 -1.381 -0.223
132 1HG LYS 18 1HG LYS 18 14.892 0.552 -0.217
133 2HG LYS 18 2HG LYS 18 15.814 -0.921 -0.483
134 1HD LYS 18 1HD LYS 18 16.613 0.917 -1.894
135 2HD LYS 18 2HD LYS 18 16.031 -0.431 -2.867
136 1HE LYS 18 1HE LYS 18 15.354 1.742 -3.802
137 2HE LYS 18 2HE LYS 18 13.940 0.780 -3.361
138 1HZ LYS 18 1HZ LYS 18 15.115 2.942 -1.757
139 2HZ LYS 18 2HZ LYS 18 13.747 3.051 -2.671
140 3HZ LYS 18 3HZ LYS 18 13.779 2.064 -1.352
141 H LEU 19 H LEU 19 13.785 -3.796 -0.166
142 HA LEU 19 HA LEU 19 16.577 -4.471 -0.062
143 1HB LEU 19 1HB LEU 19 16.018 -5.904 1.772
144 2HB LEU 19 2HB LEU 19 15.221 -4.341 1.899
145 HG LEU 19 HG LEU 19 13.173 -5.650 0.785
146 1HD1 LEU 19 1HD1 LEU 19 14.371 -7.845 0.535
147 2HD1 LEU 19 2HD1 LEU 19 14.654 -7.862 2.283
148 3HD1 LEU 19 3HD1 LEU 19 13.002 -7.954 1.643
149 1HD2 LEU 19 1HD2 LEU 19 13.979 -5.894 3.709
150 2HD2 LEU 19 2HD2 LEU 19 13.142 -4.514 2.968
151 3HD2 LEU 19 3HD2 LEU 19 12.334 -6.086 3.068
152 H GLN 20 H GLN 20 13.789 -5.953 -1.680
153 HA GLN 20 HA GLN 20 14.948 -8.506 -2.166
154 1HB GLN 20 1HB GLN 20 12.606 -8.156 -2.349
155 2HB GLN 20 2HB GLN 20 12.783 -6.933 -3.609
156 1HG GLN 20 1HG GLN 20 13.659 -9.840 -3.922
157 2HG GLN 20 2HG GLN 20 12.034 -9.269 -4.315
158 1HE2 GLN 20 2HE2 GLN 20 12.134 -7.070 -5.723
159 2HE2 GLN 20 1HE2 GLN 20 13.145 -7.220 -7.144
160 H THR 21 H THR 21 14.824 -5.530 -4.232
161 HA THR 21 HA THR 21 16.491 -6.756 -6.246
162 HB THR 21 HB THR 21 14.716 -5.061 -6.692
163 HG1 THR 21 HG1 THR 21 17.344 -4.529 -7.596
164 1HG2 THR 21 1HG2 THR 21 15.360 -3.392 -4.893
165 2HG2 THR 21 2HG2 THR 21 16.808 -3.008 -5.846
166 3HG2 THR 21 3HG2 THR 21 15.199 -2.702 -6.515
167 H TYR 22 H TYR 22 17.051 -4.623 -3.487
168 HA TYR 22 HA TYR 22 18.779 -3.581 -2.613
169 1HB TYR 22 1HB TYR 22 20.853 -4.791 -2.266
170 2HB TYR 22 2HB TYR 22 19.382 -5.612 -1.785
171 HD1 TYR 22 HD1 TYR 22 22.297 -5.731 -4.041
172 HD2 TYR 22 HD2 TYR 22 18.653 -7.675 -2.822
173 HE1 TYR 22 HE1 TYR 22 22.979 -7.769 -5.261
174 HE2 TYR 22 HE2 TYR 22 19.322 -9.710 -4.066
175 HH TYR 22 HH TYR 22 22.412 -9.914 -5.874
176 HA PRO 23 HA PRO 23 20.336 -1.660 -6.493
177 1HB PRO 23 1HB PRO 23 20.371 0.945 -5.635
178 2HB PRO 23 2HB PRO 23 18.906 0.110 -6.225
179 1HG PRO 23 1HG PRO 23 19.764 0.521 -3.359
180 2HG PRO 23 2HG PRO 23 18.152 0.795 -4.077
181 1HD PRO 23 1HD PRO 23 18.782 -1.460 -2.720
182 2HD PRO 23 2HD PRO 23 17.698 -1.536 -4.142
183 H ARG 24 H ARG 24 21.345 -0.967 -3.130
184 HA ARG 24 HA ARG 24 23.309 -1.043 -2.077
185 1HB ARG 24 1HB ARG 24 23.100 -3.335 -3.024
186 2HB ARG 24 2HB ARG 24 24.158 -2.868 -4.364
187 1HG ARG 24 1HG ARG 24 25.926 -2.249 -2.654
188 2HG ARG 24 2HG ARG 24 24.853 -2.864 -1.393
189 1HD ARG 24 1HD ARG 24 26.037 -4.425 -3.736
190 2HD ARG 24 2HD ARG 24 26.550 -4.529 -2.052
191 HE ARG 24 HE ARG 24 24.360 -5.894 -3.322
192 1HH1 ARG 24 1HH2 ARG 24 25.333 -4.543 -0.173
193 2HH1 ARG 24 2HH2 ARG 24 24.326 -5.650 0.729
194 1HH2 ARG 24 1HH1 ARG 24 23.087 -7.335 -2.106
195 2HH2 ARG 24 2HH1 ARG 24 23.057 -7.228 -0.362
196 H THR 25 H THR 25 23.724 1.219 -2.402
197 HA THR 25 HA THR 25 25.657 1.978 -4.500
198 HB THR 25 HB THR 25 24.455 3.718 -2.318
199 HG1 THR 25 HG1 THR 25 22.802 2.756 -3.507
200 1HG2 THR 25 1HG2 THR 25 25.541 4.336 -5.113
201 2HG2 THR 25 2HG2 THR 25 24.825 5.510 -3.992
202 3HG2 THR 25 3HG2 THR 25 26.366 4.740 -3.595
203 H ASP 26 H ASP 26 26.743 0.037 -3.015
204 HA ASP 26 HA ASP 26 29.152 1.124 -2.024
205 1HB ASP 26 1HB ASP 26 27.833 1.674 0.012
206 2HB ASP 26 2HB ASP 26 27.257 0.008 0.101
207 H VAL 27 H VAL 27 29.321 -0.395 -3.913
208 HA VAL 27 HA VAL 27 28.883 -3.242 -3.377
209 HB VAL 27 HB VAL 27 30.039 -1.864 -5.829
210 1HG1 VAL 27 1HG1 VAL 27 30.580 -4.302 -5.660
211 2HG1 VAL 27 2HG1 VAL 27 28.856 -4.652 -5.421
212 3HG1 VAL 27 3HG1 VAL 27 29.425 -3.973 -6.958
213 1HG2 VAL 27 1HG2 VAL 27 27.184 -2.715 -5.184
214 2HG2 VAL 27 2HG2 VAL 27 27.762 -1.057 -5.459
215 3HG2 VAL 27 3HG2 VAL 27 27.764 -2.221 -6.787
216 H GLY 28 H GLY 28 30.360 -3.684 -1.683
217 1HA GLY 28 1HA GLY 28 33.224 -3.114 -1.982
218 2HA GLY 28 2HA GLY 28 32.425 -3.979 -0.668
219 H ALA 29 H ALA 29 32.562 -6.188 -0.656
220 HA ALA 29 HA ALA 29 33.732 -7.637 -2.964
221 1HB ALA 29 1HB ALA 29 32.990 -8.526 -0.145
222 2HB ALA 29 2HB ALA 29 33.810 -9.516 -1.375
223 3HB ALA 29 3HB ALA 29 34.610 -8.077 -0.716
224 H GLY 30 H GLY 30 31.598 -6.744 -4.019
225 1HA GLY 30 1HA GLY 30 29.495 -7.134 -4.870
226 2HA GLY 30 2HA GLY 30 29.418 -8.702 -4.041
227 H THR 31 H THR 31 28.703 -8.782 -1.879
228 HA THR 31 HA THR 31 27.281 -6.515 -0.727
229 HB THR 31 HB THR 31 27.948 -9.293 0.320
230 HG1 THR 31 HG1 THR 31 26.514 -9.204 -1.448
231 1HG2 THR 31 1HG2 THR 31 26.029 -7.206 1.449
232 2HG2 THR 31 2HG2 THR 31 26.205 -8.878 2.010
233 3HG2 THR 31 3HG2 THR 31 27.545 -7.739 2.213
234 HA PRO 32 HA PRO 32 31.212 -5.130 0.982
235 1HB PRO 32 1HB PRO 32 30.422 -3.011 2.495
236 2HB PRO 32 2HB PRO 32 30.275 -3.004 0.714
237 1HG PRO 32 1HG PRO 32 28.126 -3.730 2.730
238 2HG PRO 32 2HG PRO 32 27.999 -2.552 1.392
239 1HD PRO 32 1HD PRO 32 27.127 -5.104 1.128
240 2HD PRO 32 2HD PRO 32 27.945 -4.276 -0.233
241 H1 NAG 33 H1 NAG 33 -3.602 8.141 2.393
242 H2 NAG 33 H2 NAG 33 -2.506 10.089 4.461
243 H3 NAG 33 H3 NAG 33 -1.857 9.493 1.548
244 H4 NAG 33 H4 NAG 33 -0.203 9.176 4.078
245 H5 NAG 33 H5 NAG 33 -1.422 7.036 2.288
246 1H6 NAG 33 1H6 NAG 33 0.081 6.969 4.947
247 2H6 NAG 33 2H6 NAG 33 0.557 6.197 3.416
248 1H8 NAG 33 1H8 NAG 33 -6.104 12.081 2.371
249 2H8 NAG 33 2H8 NAG 33 -5.925 13.243 3.703
250 3H8 NAG 33 3H8 NAG 33 -4.800 13.290 2.328
251 HN2 NAG 33 HN2 NAG 33 -3.842 10.909 1.911
252 HO3 NAG 33 HO3 NAG 33 -0.680 11.383 3.367
253 HO6 NAG 33 HO6 NAG 33 -1.713 5.569 5.002
254 H1 NAG 34 H1 NAG 34 2.002 7.929 3.406
255 H2 NAG 34 H2 NAG 34 2.743 9.511 0.893
256 H3 NAG 34 H3 NAG 34 4.475 7.844 2.770
257 H4 NAG 34 H4 NAG 34 4.341 10.841 2.276
258 H5 NAG 34 H5 NAG 34 3.431 9.212 4.696
259 1H6 NAG 34 1H6 NAG 34 3.342 12.212 4.138
260 2H6 NAG 34 2H6 NAG 34 4.363 11.398 5.350
261 1H8 NAG 34 1H8 NAG 34 3.291 5.292 -0.739
262 2H8 NAG 34 2H8 NAG 34 2.846 4.118 0.511
263 3H8 NAG 34 3H8 NAG 34 1.588 5.104 -0.266
264 HN2 NAG 34 HN2 NAG 34 2.485 7.593 -0.244
265 HO3 NAG 34 HO3 NAG 34 6.145 8.796 1.446
266 HO6 NAG 34 HO6 NAG 34 2.436 12.240 6.246
267 H1 MAN 35 H1 MAN 35 5.987 12.029 3.482
268 H2 MAN 35 H2 MAN 35 7.428 11.158 5.308
269 H3 MAN 35 H3 MAN 35 8.035 13.196 4.171
270 H4 MAN 35 H4 MAN 35 9.629 11.448 2.267
271 H5 MAN 35 H5 MAN 35 7.096 13.078 1.731
272 1H6 MAN 35 1H6 MAN 35 7.280 11.748 -0.482
273 2H6 MAN 35 2H6 MAN 35 8.953 11.385 0.029
274 HO2 MAN 35 HO2 MAN 35 8.780 9.818 3.160
275 HO4 MAN 35 HO4 MAN 35 10.064 13.432 1.261
276 H1 MAN 36 H1 MAN 36 9.094 12.347 -2.031
277 H2 MAN 36 H2 MAN 36 11.075 12.964 -0.618
278 H3 MAN 36 H3 MAN 36 10.237 15.144 0.115
279 H4 MAN 36 H4 MAN 36 10.692 15.989 -2.760
280 H5 MAN 36 H5 MAN 36 8.187 15.724 -1.034
281 1H6 MAN 36 1H6 MAN 36 8.204 17.605 -2.877
282 2H6 MAN 36 2H6 MAN 36 6.838 16.514 -2.647
283 HO2 MAN 36 HO2 MAN 36 12.310 13.751 -2.428
284 HO4 MAN 36 HO4 MAN 36 9.781 17.414 -0.446
285 H1 MAN 37 H1 MAN 37 9.066 13.243 6.380
286 H2 MAN 37 H2 MAN 37 9.332 14.800 4.341
287 H3 MAN 37 H3 MAN 37 11.530 14.157 3.647
288 H4 MAN 37 H4 MAN 37 12.553 15.246 6.287
289 H5 MAN 37 H5 MAN 37 12.392 12.392 5.192
290 1H6 MAN 37 1H6 MAN 37 14.404 12.733 6.577
291 2H6 MAN 37 2H6 MAN 37 13.208 11.707 7.398
292 HO3 MAN 37 HO3 MAN 37 11.544 16.804 4.741
293 HO4 MAN 37 HO4 MAN 37 13.819 14.005 4.030
294 HO6 MAN 37 HO6 MAN 37 14.081 13.323 8.773
295 H1 MAN 38 H1 MAN 38 9.827 16.975 -4.315
296 H2 MAN 38 H2 MAN 38 8.525 17.806 -6.276
297 H3 MAN 38 H3 MAN 38 7.325 15.789 -6.869
298 H4 MAN 38 H4 MAN 38 10.030 14.600 -7.609
299 H5 MAN 38 H5 MAN 38 8.135 13.907 -5.308
300 1H6 MAN 38 1H6 MAN 38 10.020 12.464 -4.554
301 2H6 MAN 38 2H6 MAN 38 10.848 12.763 -6.100
302 HO2 MAN 38 HO2 MAN 38 10.844 17.752 -6.234
303 HO3 MAN 38 HO3 MAN 38 7.857 15.752 -9.124
304 HO4 MAN 38 HO4 MAN 38 8.211 13.928 -8.873
305 HO6 MAN 38 HO6 MAN 38 9.619 10.821 -6.081
306 H1 MAN 39 H1 MAN 39 11.778 16.213 1.255
307 H2 MAN 39 H2 MAN 39 13.895 17.157 0.284
308 H3 MAN 39 H3 MAN 39 14.840 15.138 -0.673
309 H4 MAN 39 H4 MAN 39 15.133 14.136 2.191
310 H5 MAN 39 H5 MAN 39 13.316 13.167 -0.067
311 1H6 MAN 39 1H6 MAN 39 13.545 12.275 2.842
312 2H6 MAN 39 2H6 MAN 39 14.098 11.347 1.426
313 HO2 MAN 39 HO2 MAN 39 14.046 15.796 2.801
314 HO3 MAN 39 HO3 MAN 39 16.290 16.763 0.136
315 HO4 MAN 39 HO4 MAN 39 16.766 13.482 0.676
316 HO6 MAN 39 HO6 MAN 39 12.001 10.743 2.137
317 H1 MAN 40 H1 MAN 40 9.393 17.284 4.949
318 H2 MAN 40 H2 MAN 40 9.855 17.989 7.323
319 H3 MAN 40 H3 MAN 40 8.731 16.191 8.498
320 H4 MAN 40 H4 MAN 40 6.121 17.298 7.378
321 H5 MAN 40 H5 MAN 40 7.582 14.691 6.748
322 1H6 MAN 40 1H6 MAN 40 5.879 14.533 4.907
323 2H6 MAN 40 2H6 MAN 40 4.981 15.861 5.679
324 HO2 MAN 40 HO2 MAN 40 7.271 18.603 6.244
325 HO3 MAN 40 HO3 MAN 40 7.375 18.688 8.874
326 HO4 MAN 40 HO4 MAN 40 6.049 16.339 9.491
327 HO6 MAN 40 HO6 MAN 40 4.245 13.769 6.300
328 1HN NH2 41 1HN NH2 41 31.815 -5.922 4.412
329 2HN NH2 41 2HN NH2 41 32.406 -5.064 3.005
Start of MODEL 9
1 1H CYS 1 1H CYS 1 -3.355 8.428 -1.926
2 2H CYS 1 2H CYS 1 -2.692 9.576 -0.945
3 3H CYS 1 3H CYS 1 -1.733 8.424 -1.632
4 HA CYS 1 HA CYS 1 -2.792 6.705 -0.415
5 1HB CYS 1 1HB CYS 1 -0.783 7.808 0.481
6 2HB CYS 1 2HB CYS 1 -1.793 8.979 1.323
7 H SER 2 H SER 2 -5.110 7.118 -1.114
8 HA SER 2 HA SER 2 -6.898 8.351 0.817
9 1HB SER 2 1HB SER 2 -8.628 7.005 -0.371
10 2HB SER 2 2HB SER 2 -7.652 8.010 -1.462
11 HG SER 2 HG SER 2 -7.918 5.851 -2.209
12 H ASN 3 H ASN 3 -7.953 7.326 2.497
13 HA ASN 3 HA ASN 3 -7.903 6.265 4.437
14 1HB ASN 3 1HB ASN 3 -8.345 3.900 4.476
15 2HB ASN 3 2HB ASN 3 -9.213 4.667 3.158
16 1HD2 ASN 3 1HD2 ASN 3 -8.867 4.018 1.072
17 H LEU 4 H LEU 4 -6.620 4.001 5.486
18 HA LEU 4 HA LEU 4 -3.744 4.326 5.056
19 1HB LEU 4 1HB LEU 4 -3.289 4.814 7.405
20 2HB LEU 4 2HB LEU 4 -4.082 6.148 6.587
21 HG LEU 4 HG LEU 4 -5.808 4.217 8.165
22 1HD1 LEU 4 1HD1 LEU 4 -4.122 6.447 9.370
23 2HD1 LEU 4 2HD1 LEU 4 -5.392 5.531 10.210
24 3HD1 LEU 4 3HD1 LEU 4 -3.923 4.705 9.665
25 1HD2 LEU 4 1HD2 LEU 4 -5.906 7.234 7.701
26 2HD2 LEU 4 2HD2 LEU 4 -6.946 6.031 6.913
27 3HD2 LEU 4 3HD2 LEU 4 -7.072 6.294 8.651
28 H SER 5 H SER 5 -5.003 2.218 4.272
29 HA SER 5 HA SER 5 -4.325 0.098 6.249
30 1HB SER 5 1HB SER 5 -6.734 0.431 6.438
31 2HB SER 5 2HB SER 5 -6.925 0.353 4.679
32 HG SER 5 HG SER 5 -7.372 -1.641 5.702
33 H THR 6 H THR 6 -5.644 0.449 2.903
34 HA THR 6 HA THR 6 -3.865 -1.616 1.886
35 HB THR 6 HB THR 6 -5.724 0.302 0.473
36 HG1 THR 6 HG1 THR 6 -7.043 -1.591 0.436
37 1HG2 THR 6 1HG2 THR 6 -4.326 -2.212 -0.513
38 2HG2 THR 6 2HG2 THR 6 -5.641 -1.387 -1.371
39 3HG2 THR 6 3HG2 THR 6 -4.100 -0.554 -1.126
40 H CYS 7 H CYS 7 -3.982 1.968 1.936
41 HA CYS 7 HA CYS 7 -1.717 2.491 0.289
42 1HB CYS 7 1HB CYS 7 -3.136 4.312 0.947
43 2HB CYS 7 2HB CYS 7 -2.915 3.948 2.664
44 H VAL 8 H VAL 8 -2.008 1.950 3.842
45 HA VAL 8 HA VAL 8 0.751 2.151 4.439
46 HB VAL 8 HB VAL 8 -1.554 0.765 5.863
47 1HG1 VAL 8 1HG1 VAL 8 1.286 1.293 6.846
48 2HG1 VAL 8 2HG1 VAL 8 -0.081 0.840 7.885
49 3HG1 VAL 8 3HG1 VAL 8 0.502 -0.294 6.664
50 1HG2 VAL 8 1HG2 VAL 8 -1.697 3.251 5.632
51 2HG2 VAL 8 2HG2 VAL 8 -1.455 2.754 7.314
52 3HG2 VAL 8 3HG2 VAL 8 -0.095 3.400 6.375
53 H LEU 9 H LEU 9 -1.279 -0.749 3.731
54 HA LEU 9 HA LEU 9 0.705 -2.702 4.024
55 1HB LEU 9 1HB LEU 9 -1.677 -3.192 3.825
56 2HB LEU 9 2HB LEU 9 -1.704 -2.543 2.180
57 HG LEU 9 HG LEU 9 -0.227 -4.359 1.409
58 1HD1 LEU 9 1HD1 LEU 9 -0.467 -5.384 4.277
59 2HD1 LEU 9 2HD1 LEU 9 0.165 -6.324 2.910
60 3HD1 LEU 9 3HD1 LEU 9 1.032 -4.887 3.459
61 1HD2 LEU 9 1HD2 LEU 9 -2.678 -4.599 1.312
62 2HD2 LEU 9 2HD2 LEU 9 -1.889 -6.163 1.585
63 3HD2 LEU 9 3HD2 LEU 9 -2.680 -5.322 2.936
64 H GLY 10 H GLY 10 -0.178 -0.693 1.182
65 1HA GLY 10 1HA GLY 10 1.642 -1.808 -0.695
66 2HA GLY 10 2HA GLY 10 0.911 -0.197 -0.741
67 H LYS 11 H LYS 11 1.996 0.785 1.765
68 HA LYS 11 HA LYS 11 4.260 1.990 0.684
69 1HB LYS 11 1HB LYS 11 2.724 2.996 2.346
70 2HB LYS 11 2HB LYS 11 3.372 1.929 3.589
71 1HG LYS 11 1HG LYS 11 4.346 4.070 3.833
72 2HG LYS 11 2HG LYS 11 5.620 2.976 3.311
73 1HD LYS 11 1HD LYS 11 4.135 4.510 1.175
74 2HD LYS 11 2HD LYS 11 5.143 5.458 2.265
75 1HE LYS 11 1HE LYS 11 6.197 3.117 0.621
76 2HE LYS 11 2HE LYS 11 6.313 4.824 0.184
77 1HZ LYS 11 1HZ LYS 11 7.547 5.203 2.181
78 2HZ LYS 11 2HZ LYS 11 7.471 3.604 2.581
79 3HZ LYS 11 3HZ LYS 11 8.283 4.077 1.228
80 H LEU 12 H LEU 12 4.246 -0.149 3.646
81 HA LEU 12 HA LEU 12 7.105 -0.397 3.526
82 1HB LEU 12 1HB LEU 12 6.796 -2.213 5.230
83 2HB LEU 12 2HB LEU 12 6.444 -0.553 5.658
84 HG LEU 12 HG LEU 12 4.961 -2.478 6.491
85 1HD1 LEU 12 1HD2 LEU 12 3.824 0.147 5.502
86 2HD1 LEU 12 2HD2 LEU 12 2.987 -0.977 6.592
87 3HD1 LEU 12 3HD2 LEU 12 4.517 -0.234 7.079
88 1HD2 LEU 12 1HD1 LEU 12 4.439 -3.526 4.340
89 2HD2 LEU 12 2HD1 LEU 12 2.999 -3.049 5.253
90 3HD2 LEU 12 3HD1 LEU 12 3.518 -2.074 3.875
91 H SER 13 H SER 13 4.518 -2.308 2.044
92 HA SER 13 HA SER 13 6.104 -4.582 1.380
93 1HB SER 13 1HB SER 13 3.686 -4.578 1.128
94 2HB SER 13 2HB SER 13 3.783 -3.316 -0.127
95 HG SER 13 HG SER 13 5.012 -4.798 -1.365
96 H GLN 14 H GLN 14 5.623 -1.415 -0.273
97 HA GLN 14 HA GLN 14 7.232 -1.982 -2.540
98 1HB GLN 14 1HB GLN 14 5.616 -0.133 -2.413
99 2HB GLN 14 2HB GLN 14 6.645 0.701 -1.230
100 1HG GLN 14 1HG GLN 14 8.475 0.814 -2.912
101 2HG GLN 14 2HG GLN 14 7.453 -0.057 -4.070
102 1HE2 GLN 14 2HE2 GLN 14 8.250 2.089 -5.191
103 2HE2 GLN 14 1HE2 GLN 14 7.120 3.422 -5.107
104 H GLU 15 H GLU 15 8.033 -0.426 0.628
105 HA GLU 15 HA GLU 15 10.729 0.175 0.103
106 1HB GLU 15 1HB GLU 15 9.344 -0.608 2.695
107 2HB GLU 15 2HB GLU 15 11.005 -0.006 2.600
108 1HG GLU 15 1HG GLU 15 10.267 2.099 1.626
109 2HG GLU 15 2HG GLU 15 8.596 1.534 1.549
110 H LEU 16 H LEU 16 9.355 -2.806 1.592
111 HA LEU 16 HA LEU 16 11.768 -4.249 1.836
112 1HB LEU 16 1HB LEU 16 8.890 -5.128 1.460
113 2HB LEU 16 2HB LEU 16 10.198 -6.262 1.806
114 HG LEU 16 HG LEU 16 9.582 -3.902 3.636
115 1HD1 LEU 16 1HD1 LEU 16 7.576 -5.333 3.451
116 2HD1 LEU 16 2HD1 LEU 16 8.560 -6.767 3.812
117 3HD1 LEU 16 3HD1 LEU 16 8.340 -5.501 5.040
118 1HD2 LEU 16 1HD2 LEU 16 11.104 -6.512 4.060
119 2HD2 LEU 16 2HD2 LEU 16 11.822 -4.890 3.961
120 3HD2 LEU 16 3HD2 LEU 16 10.761 -5.301 5.311
121 H HIS 17 H HIS 17 9.492 -4.007 -0.929
122 HA HIS 17 HA HIS 17 10.768 -5.990 -2.530
123 1HB HIS 17 1HB HIS 17 8.469 -5.288 -2.897
124 2HB HIS 17 2HB HIS 17 8.994 -3.645 -3.286
125 HD1 HIS 17 HD1 HIS 17 9.651 -7.204 -4.589
126 HD2 HIS 17 HD2 HIS 17 9.373 -3.256 -5.970
127 HE1 HIS 17 HE1 HIS 17 9.932 -7.262 -7.115
128 H LYS 18 H LYS 18 11.384 -2.497 -2.095
129 HA LYS 18 HA LYS 18 13.156 -2.289 -4.382
130 1HB LYS 18 1HB LYS 18 12.601 -0.494 -1.997
131 2HB LYS 18 2HB LYS 18 13.741 -0.074 -3.278
132 1HG LYS 18 1HG LYS 18 10.823 -0.735 -3.837
133 2HG LYS 18 2HG LYS 18 11.403 0.896 -3.471
134 1HD LYS 18 1HD LYS 18 12.950 0.769 -5.417
135 2HD LYS 18 2HD LYS 18 12.285 -0.820 -5.838
136 1HE LYS 18 1HE LYS 18 10.684 1.771 -5.668
137 2HE LYS 18 2HE LYS 18 11.273 1.015 -7.159
138 1HZ LYS 18 1HZ LYS 18 9.946 -0.899 -6.648
139 2HZ LYS 18 2HZ LYS 18 9.372 -0.184 -5.277
140 3HZ LYS 18 3HZ LYS 18 9.015 0.459 -6.751
141 H LEU 19 H LEU 19 13.740 -2.257 -0.801
142 HA LEU 19 HA LEU 19 16.566 -2.317 -1.129
143 1HB LEU 19 1HB LEU 19 16.727 -2.511 1.230
144 2HB LEU 19 2HB LEU 19 15.466 -1.370 0.787
145 HG LEU 19 HG LEU 19 13.913 -3.566 1.122
146 1HD1 LEU 19 1HD1 LEU 19 15.881 -5.017 1.790
147 2HD1 LEU 19 2HD1 LEU 19 16.172 -3.926 3.148
148 3HD1 LEU 19 3HD1 LEU 19 14.665 -4.858 3.063
149 1HD2 LEU 19 1HD2 LEU 19 13.638 -1.376 2.255
150 2HD2 LEU 19 2HD2 LEU 19 13.430 -2.725 3.385
151 3HD2 LEU 19 3HD2 LEU 19 14.945 -1.797 3.378
152 H GLN 20 H GLN 20 14.221 -4.908 -0.497
153 HA GLN 20 HA GLN 20 14.524 -7.181 -0.287
154 1HB GLN 20 1HB GLN 20 13.642 -6.336 -2.455
155 2HB GLN 20 2HB GLN 20 15.230 -6.593 -3.180
156 1HG GLN 20 1HG GLN 20 15.008 -9.050 -2.544
157 2HG GLN 20 2HG GLN 20 13.392 -8.689 -1.924
158 1HE2 GLN 20 2HE2 GLN 20 11.989 -7.364 -3.635
159 2HE2 GLN 20 1HE2 GLN 20 12.016 -8.026 -5.254
160 H THR 21 H THR 21 16.597 -6.814 1.080
161 HA THR 21 HA THR 21 18.617 -7.515 1.730
162 HB THR 21 HB THR 21 18.135 -9.865 -0.146
163 HG1 THR 21 HG1 THR 21 16.847 -10.651 1.543
164 1HG2 THR 21 1HG2 THR 21 19.387 -9.651 2.634
165 2HG2 THR 21 2HG2 THR 21 19.067 -11.164 1.766
166 3HG2 THR 21 3HG2 THR 21 20.262 -10.030 1.134
167 H TYR 22 H TYR 22 18.952 -5.539 -0.124
168 HA TYR 22 HA TYR 22 21.382 -6.397 -1.625
169 1HB TYR 22 1HB TYR 22 19.789 -3.893 -2.156
170 2HB TYR 22 2HB TYR 22 21.136 -4.545 -3.066
171 HD1 TYR 22 HD1 TYR 22 20.421 -7.429 -3.386
172 HD2 TYR 22 HD2 TYR 22 18.032 -3.849 -3.723
173 HE1 TYR 22 HE1 TYR 22 18.807 -8.635 -4.807
174 HE2 TYR 22 HE2 TYR 22 16.425 -5.063 -5.156
175 HH TYR 22 HH TYR 22 15.842 -7.082 -6.094
176 HA PRO 23 HA PRO 23 22.741 -2.522 0.949
177 1HB PRO 23 1HB PRO 23 20.876 -2.890 3.298
178 2HB PRO 23 2HB PRO 23 21.612 -1.390 2.669
179 1HG PRO 23 1HG PRO 23 19.025 -1.960 2.124
180 2HG PRO 23 2HG PRO 23 20.089 -1.356 0.816
181 1HD PRO 23 1HD PRO 23 19.345 -4.228 1.426
182 2HD PRO 23 2HD PRO 23 19.277 -3.351 -0.131
183 H ARG 24 H ARG 24 21.212 -5.130 2.881
184 HA ARG 24 HA ARG 24 23.868 -6.170 3.769
185 1HB ARG 24 1HB ARG 24 21.024 -6.770 4.690
186 2HB ARG 24 2HB ARG 24 22.488 -7.599 5.254
187 1HG ARG 24 1HG ARG 24 23.389 -5.440 6.090
188 2HG ARG 24 2HG ARG 24 21.904 -4.618 5.563
189 1HD ARG 24 1HD ARG 24 20.567 -6.072 7.054
190 2HD ARG 24 2HD ARG 24 22.053 -6.888 7.590
191 HE ARG 24 HE ARG 24 22.381 -4.104 7.978
192 1HH1 ARG 24 1HH2 ARG 24 20.433 -6.777 9.291
193 2HH1 ARG 24 2HH2 ARG 24 20.272 -6.034 10.865
194 1HH2 ARG 24 1HH1 ARG 24 22.151 -3.162 10.044
195 2HH2 ARG 24 2HH1 ARG 24 21.245 -3.985 11.293
196 H THR 25 H THR 25 24.665 -7.542 2.252
197 HA THR 25 HA THR 25 22.905 -8.987 0.398
198 HB THR 25 HB THR 25 25.054 -9.699 -0.607
199 HG1 THR 25 HG1 THR 25 26.949 -8.732 0.223
200 1HG2 THR 25 1HG2 THR 25 23.959 -7.572 -1.298
201 2HG2 THR 25 2HG2 THR 25 24.930 -6.698 -0.089
202 3HG2 THR 25 3HG2 THR 25 25.726 -7.517 -1.445
203 H ASP 26 H ASP 26 22.046 -9.924 2.644
204 HA ASP 26 HA ASP 26 23.552 -12.121 3.762
205 1HB ASP 26 1HB ASP 26 21.921 -10.829 5.068
206 2HB ASP 26 2HB ASP 26 20.617 -11.346 3.991
207 H VAL 27 H VAL 27 23.197 -14.322 3.493
208 HA VAL 27 HA VAL 27 21.203 -15.297 1.580
209 HB VAL 27 HB VAL 27 23.127 -14.799 0.184
210 1HG1 VAL 27 1HG1 VAL 27 24.967 -15.043 1.820
211 2HG1 VAL 27 2HG1 VAL 27 24.769 -16.807 1.778
212 3HG1 VAL 27 3HG1 VAL 27 25.244 -15.933 0.318
213 1HG2 VAL 27 1HG2 VAL 27 21.655 -16.679 -0.389
214 2HG2 VAL 27 2HG2 VAL 27 23.310 -16.894 -0.977
215 3HG2 VAL 27 3HG2 VAL 27 22.753 -17.806 0.432
216 H GLY 28 H GLY 28 20.755 -15.456 4.083
217 1HA GLY 28 1HA GLY 28 21.809 -17.825 5.416
218 2HA GLY 28 2HA GLY 28 20.433 -16.818 5.895
219 H ALA 29 H ALA 29 21.483 -19.304 3.596
220 HA ALA 29 HA ALA 29 20.461 -20.785 2.267
221 1HB ALA 29 1HB ALA 29 19.622 -21.733 4.393
222 2HB ALA 29 2HB ALA 29 18.156 -20.740 4.264
223 3HB ALA 29 3HB ALA 29 18.497 -21.985 3.048
224 H GLY 30 H GLY 30 20.387 -18.186 1.451
225 1HA GLY 30 1HA GLY 30 17.693 -17.408 0.586
226 2HA GLY 30 2HA GLY 30 19.221 -16.571 0.292
227 H THR 31 H THR 31 17.676 -19.718 -0.492
228 HA THR 31 HA THR 31 19.116 -20.220 -2.855
229 HB THR 31 HB THR 31 16.430 -21.300 -1.928
230 HG1 THR 31 HG1 THR 31 19.082 -22.252 -1.754
231 1HG2 THR 31 1HG2 THR 31 18.346 -22.296 -4.086
232 2HG2 THR 31 2HG2 THR 31 16.952 -23.192 -3.447
233 3HG2 THR 31 3HG2 THR 31 16.694 -21.694 -4.357
234 HA PRO 32 HA PRO 32 15.646 -18.175 -5.461
235 1HB PRO 32 1HB PRO 32 13.716 -16.637 -4.277
236 2HB PRO 32 2HB PRO 32 13.546 -18.395 -4.549
237 1HG PRO 32 1HG PRO 32 14.438 -17.011 -2.004
238 2HG PRO 32 2HG PRO 32 13.182 -18.269 -2.188
239 1HD PRO 32 1HD PRO 32 15.676 -18.921 -1.430
240 2HD PRO 32 2HD PRO 32 14.790 -19.946 -2.597
241 H1 NAG 33 H1 NAG 33 -6.668 2.112 0.497
242 H2 NAG 33 H2 NAG 33 -9.647 1.718 -0.090
243 H3 NAG 33 H3 NAG 33 -7.352 -0.042 -0.993
244 H4 NAG 33 H4 NAG 33 -9.092 1.843 -2.618
245 H5 NAG 33 H5 NAG 33 -6.150 1.972 -1.803
246 1H6 NAG 33 1H6 NAG 33 -6.423 2.784 -4.102
247 2H6 NAG 33 2H6 NAG 33 -6.089 4.117 -2.988
248 1H8 NAG 33 1H8 NAG 33 -8.403 -0.974 3.331
249 2H8 NAG 33 2H8 NAG 33 -9.547 -0.037 4.318
250 3H8 NAG 33 3H8 NAG 33 -10.146 -1.282 3.200
251 HN2 NAG 33 HN2 NAG 33 -7.929 -0.280 1.271
252 HO3 NAG 33 HO3 NAG 33 -9.398 -1.055 -0.611
253 HO6 NAG 33 HO6 NAG 33 -7.807 4.576 -4.449
254 H1 NAG 34 H1 NAG 34 -8.895 1.471 -4.927
255 H2 NAG 34 H2 NAG 34 -7.533 -1.228 -5.407
256 H3 NAG 34 H3 NAG 34 -9.122 0.482 -7.368
257 H4 NAG 34 H4 NAG 34 -9.799 -2.179 -6.056
258 H5 NAG 34 H5 NAG 34 -10.961 0.595 -5.574
259 1H6 NAG 34 1H6 NAG 34 -11.636 -2.117 -4.347
260 2H6 NAG 34 2H6 NAG 34 -12.684 -1.168 -5.431
261 1H8 NAG 34 1H8 NAG 34 -4.627 2.274 -6.243
262 2H8 NAG 34 2H8 NAG 34 -4.852 1.642 -7.890
263 3H8 NAG 34 3H8 NAG 34 -5.386 3.288 -7.488
264 HN2 NAG 34 HN2 NAG 34 -5.787 -0.013 -6.144
265 HO3 NAG 34 HO3 NAG 34 -7.397 -0.800 -8.250
266 HO6 NAG 34 HO6 NAG 34 -13.177 -0.849 -3.216
267 H1 MAN 35 H1 MAN 35 -10.174 -1.953 -9.200
268 H2 MAN 35 H2 MAN 35 -9.700 -3.659 -7.475
269 H3 MAN 35 H3 MAN 35 -9.846 -4.403 -9.744
270 H4 MAN 35 H4 MAN 35 -12.817 -4.863 -9.274
271 H5 MAN 35 H5 MAN 35 -11.388 -2.788 -11.008
272 1H6 MAN 35 1H6 MAN 35 -14.360 -2.886 -10.372
273 2H6 MAN 35 2H6 MAN 35 -13.706 -3.777 -11.733
274 HO2 MAN 35 HO2 MAN 35 -12.554 -3.947 -7.394
275 HO4 MAN 35 HO4 MAN 35 -12.729 -5.437 -11.484
276 H1 MAN 36 H1 MAN 36 -12.321 -0.537 -10.809
277 H2 MAN 36 H2 MAN 36 -14.424 -1.004 -9.464
278 H3 MAN 36 H3 MAN 36 -16.042 -0.959 -11.311
279 H4 MAN 36 H4 MAN 36 -15.414 2.007 -11.504
280 H5 MAN 36 H5 MAN 36 -14.790 -0.266 -13.450
281 1H6 MAN 36 1H6 MAN 36 -14.112 2.699 -13.524
282 2H6 MAN 36 2H6 MAN 36 -15.283 1.864 -14.584
283 HO2 MAN 36 HO2 MAN 36 -13.118 0.857 -9.113
284 HO4 MAN 36 HO4 MAN 36 -17.106 0.261 -13.022
285 H1 MAN 37 H1 MAN 37 -8.887 -6.453 -9.703
286 H2 MAN 37 H2 MAN 37 -10.086 -8.524 -8.903
287 H3 MAN 37 H3 MAN 37 -10.652 -7.792 -6.670
288 H4 MAN 37 H4 MAN 37 -7.660 -7.890 -6.089
289 H5 MAN 37 H5 MAN 37 -9.565 -5.511 -6.236
290 1H6 MAN 37 1H6 MAN 37 -6.551 -5.637 -5.794
291 2H6 MAN 37 2H6 MAN 37 -7.770 -5.208 -4.569
292 HO3 MAN 37 HO3 MAN 37 -10.276 -10.054 -7.056
293 HO4 MAN 37 HO4 MAN 37 -9.924 -7.126 -4.504
294 HO6 MAN 37 HO6 MAN 37 -6.835 -3.370 -5.562
295 H1 MAN 38 H1 MAN 38 -13.985 2.803 -16.205
296 H2 MAN 38 H2 MAN 38 -12.898 0.901 -17.438
297 H3 MAN 38 H3 MAN 38 -11.069 0.420 -15.928
298 H4 MAN 38 H4 MAN 38 -9.958 3.159 -16.668
299 H5 MAN 38 H5 MAN 38 -11.141 2.157 -14.033
300 1H6 MAN 38 1H6 MAN 38 -10.089 4.903 -14.834
301 2H6 MAN 38 2H6 MAN 38 -9.299 3.770 -13.709
302 HO2 MAN 38 HO2 MAN 38 -13.075 3.035 -18.332
303 HO3 MAN 38 HO3 MAN 38 -10.728 0.074 -18.198
304 HO4 MAN 38 HO4 MAN 38 -8.418 1.483 -16.208
305 HO6 MAN 38 HO6 MAN 38 -10.569 5.342 -12.632
306 H1 MAN 39 H1 MAN 39 -16.069 -0.406 -8.093
307 H2 MAN 39 H2 MAN 39 -16.544 -2.266 -9.774
308 H3 MAN 39 H3 MAN 39 -18.550 -1.301 -10.783
309 H4 MAN 39 H4 MAN 39 -19.888 -1.823 -8.098
310 H5 MAN 39 H5 MAN 39 -19.189 0.824 -9.458
311 1H6 MAN 39 1H6 MAN 39 -21.260 0.955 -8.115
312 2H6 MAN 39 2H6 MAN 39 -19.927 1.871 -7.383
313 HO2 MAN 39 HO2 MAN 39 -16.535 -2.619 -7.488
314 HO3 MAN 39 HO3 MAN 39 -18.328 -3.611 -10.700
315 HO4 MAN 39 HO4 MAN 39 -21.212 -2.033 -9.990
316 HO6 MAN 39 HO6 MAN 39 -20.803 -0.724 -6.633
317 H1 MAN 40 H1 MAN 40 -7.160 -7.658 -10.146
318 H2 MAN 40 H2 MAN 40 -9.414 -8.607 -10.867
319 H3 MAN 40 H3 MAN 40 -9.273 -10.741 -9.678
320 H4 MAN 40 H4 MAN 40 -7.058 -11.456 -11.645
321 H5 MAN 40 H5 MAN 40 -6.892 -10.939 -8.637
322 1H6 MAN 40 1H6 MAN 40 -4.728 -11.516 -10.708
323 2H6 MAN 40 2H6 MAN 40 -5.268 -12.624 -9.422
324 HO2 MAN 40 HO2 MAN 40 -7.741 -8.090 -12.377
325 HO3 MAN 40 HO3 MAN 40 -10.485 -10.632 -11.655
326 HO4 MAN 40 HO4 MAN 40 -6.973 -13.340 -10.328
327 HO6 MAN 40 HO6 MAN 40 -4.609 -11.030 -7.910
328 1HN NH2 41 1HN NH2 41 17.171 -15.024 -3.202
329 2HN NH2 41 2HN NH2 41 16.484 -16.419 -2.400
Start of MODEL 10
1 1H CYS 1 1H CYS 1 -4.436 6.265 -2.516
2 2H CYS 1 2H CYS 1 -4.141 7.859 -2.215
3 3H CYS 1 3H CYS 1 -2.916 6.873 -2.713
4 HA CYS 1 HA CYS 1 -3.040 5.593 -0.755
5 1HB CYS 1 1HB CYS 1 -1.473 7.435 -0.827
6 2HB CYS 1 2HB CYS 1 -2.709 8.580 -0.325
7 H SER 2 H SER 2 -4.729 8.634 0.105
8 HA SER 2 HA SER 2 -6.471 9.110 1.419
9 1HB SER 2 1HB SER 2 -7.657 6.628 0.099
10 2HB SER 2 2HB SER 2 -8.565 7.865 0.994
11 HG SER 2 HG SER 2 -8.521 8.229 -1.258
12 H ASN 3 H ASN 3 -7.591 5.875 1.961
13 HA ASN 3 HA ASN 3 -7.288 6.041 4.787
14 1HB ASN 3 1HB ASN 3 -8.062 3.674 4.736
15 2HB ASN 3 2HB ASN 3 -9.095 4.774 3.815
16 1HD2 ASN 3 1HD2 ASN 3 -9.169 4.645 1.560
17 H LEU 4 H LEU 4 -5.874 5.063 6.175
18 HA LEU 4 HA LEU 4 -3.256 4.203 5.118
19 1HB LEU 4 1HB LEU 4 -2.553 4.302 7.456
20 2HB LEU 4 2HB LEU 4 -3.133 5.836 6.831
21 HG LEU 4 HG LEU 4 -5.232 4.214 8.212
22 1HD1 LEU 4 1HD1 LEU 4 -2.899 5.405 9.767
23 2HD1 LEU 4 2HD1 LEU 4 -4.411 4.784 10.465
24 3HD1 LEU 4 3HD1 LEU 4 -3.302 3.678 9.637
25 1HD2 LEU 4 1HD2 LEU 4 -5.585 6.581 7.434
26 2HD2 LEU 4 2HD2 LEU 4 -5.793 6.392 9.182
27 3HD2 LEU 4 3HD2 LEU 4 -4.301 7.103 8.538
28 H SER 5 H SER 5 -4.819 2.399 4.214
29 HA SER 5 HA SER 5 -4.284 -0.003 5.869
30 1HB SER 5 1HB SER 5 -6.659 0.503 6.224
31 2HB SER 5 2HB SER 5 -6.936 0.577 4.475
32 HG SER 5 HG SER 5 -7.445 -1.463 5.362
33 H THR 6 H THR 6 -5.670 0.999 2.680
34 HA THR 6 HA THR 6 -4.202 -0.956 1.153
35 HB THR 6 HB THR 6 -4.829 0.461 -0.768
36 HG1 THR 6 HG1 THR 6 -5.923 2.193 1.187
37 1HG2 THR 6 1HG2 THR 6 -6.481 -1.163 0.143
38 2HG2 THR 6 2HG2 THR 6 -7.155 0.111 1.180
39 3HG2 THR 6 3HG2 THR 6 -7.256 0.254 -0.585
40 H CYS 7 H CYS 7 -3.697 2.463 2.051
41 HA CYS 7 HA CYS 7 -1.403 2.900 0.457
42 1HB CYS 7 1HB CYS 7 -2.982 4.589 1.340
43 2HB CYS 7 2HB CYS 7 -2.309 4.368 2.954
44 H VAL 8 H VAL 8 -1.738 2.067 3.965
45 HA VAL 8 HA VAL 8 1.054 2.294 4.473
46 HB VAL 8 HB VAL 8 -0.786 2.494 6.151
47 1HG1 VAL 8 1HG1 VAL 8 -2.029 0.419 5.564
48 2HG1 VAL 8 2HG1 VAL 8 -0.716 -0.548 6.271
49 3HG1 VAL 8 3HG1 VAL 8 -1.650 0.559 7.288
50 1HG2 VAL 8 1HG2 VAL 8 1.596 2.337 6.786
51 2HG2 VAL 8 2HG2 VAL 8 0.549 1.559 7.985
52 3HG2 VAL 8 3HG2 VAL 8 1.472 0.566 6.840
53 H LEU 9 H LEU 9 -1.026 -0.543 3.716
54 HA LEU 9 HA LEU 9 1.037 -2.513 3.854
55 1HB LEU 9 1HB LEU 9 -1.556 -2.379 2.278
56 2HB LEU 9 2HB LEU 9 -0.524 -3.810 2.336
57 HG LEU 9 HG LEU 9 -1.777 -2.541 4.813
58 1HD1 LEU 9 1HD1 LEU 9 -3.490 -3.444 3.240
59 2HD1 LEU 9 2HD1 LEU 9 -2.633 -4.998 3.220
60 3HD1 LEU 9 3HD1 LEU 9 -3.375 -4.407 4.723
61 1HD2 LEU 9 1HD2 LEU 9 -0.342 -5.197 4.370
62 2HD2 LEU 9 2HD2 LEU 9 0.204 -3.853 5.398
63 3HD2 LEU 9 3HD2 LEU 9 -1.243 -4.759 5.835
64 H GLY 10 H GLY 10 -0.171 -0.467 1.165
65 1HA GLY 10 1HA GLY 10 1.422 -1.490 -0.921
66 2HA GLY 10 2HA GLY 10 0.779 0.157 -0.798
67 H LYS 11 H LYS 11 2.077 1.129 1.457
68 HA LYS 11 HA LYS 11 4.528 2.001 0.374
69 1HB LYS 11 1HB LYS 11 3.164 3.319 1.921
70 2HB LYS 11 2HB LYS 11 3.491 2.173 3.233
71 1HG LYS 11 1HG LYS 11 5.914 2.689 3.078
72 2HG LYS 11 2HG LYS 11 5.588 3.816 1.745
73 1HD LYS 11 1HD LYS 11 4.146 5.163 3.262
74 2HD LYS 11 2HD LYS 11 4.512 4.051 4.595
75 1HE LYS 11 1HE LYS 11 6.563 5.724 3.067
76 2HE LYS 11 2HE LYS 11 5.893 6.118 4.660
77 1HZ LYS 11 1HZ LYS 11 6.831 4.087 5.491
78 2HZ LYS 11 2HZ LYS 11 7.491 3.745 4.018
79 3HZ LYS 11 3HZ LYS 11 7.995 5.068 4.859
80 H LEU 12 H LEU 12 3.945 -0.199 3.212
81 HA LEU 12 HA LEU 12 6.727 -0.675 3.570
82 1HB LEU 12 1HB LEU 12 6.144 -2.266 5.234
83 2HB LEU 12 2HB LEU 12 5.139 -0.827 5.349
84 HG LEU 12 HG LEU 12 3.418 -2.300 3.936
85 1HD1 LEU 12 1HD2 LEU 12 4.921 -4.310 3.705
86 2HD1 LEU 12 2HD2 LEU 12 5.011 -4.412 5.470
87 3HD1 LEU 12 3HD2 LEU 12 3.466 -4.667 4.637
88 1HD2 LEU 12 1HD1 LEU 12 3.941 -2.661 6.915
89 2HD2 LEU 12 2HD1 LEU 12 3.011 -1.344 6.171
90 3HD2 LEU 12 3HD1 LEU 12 2.410 -3.007 6.084
91 H SER 13 H SER 13 4.273 -2.387 1.619
92 HA SER 13 HA SER 13 5.838 -4.690 1.024
93 1HB SER 13 1HB SER 13 3.437 -4.586 0.595
94 2HB SER 13 2HB SER 13 3.672 -3.298 -0.608
95 HG SER 13 HG SER 13 4.751 -5.922 -0.721
96 H GLN 14 H GLN 14 5.413 -1.581 -0.733
97 HA GLN 14 HA GLN 14 7.225 -2.019 -2.841
98 1HB GLN 14 1HB GLN 14 5.583 -0.277 -2.856
99 2HB GLN 14 2HB GLN 14 6.272 0.513 -1.441
100 1HG GLN 14 1HG GLN 14 7.769 0.164 -4.078
101 2HG GLN 14 2HG GLN 14 6.747 1.560 -3.720
102 1HE2 GLN 14 2HE2 GLN 14 7.260 2.456 -1.293
103 2HE2 GLN 14 1HE2 GLN 14 8.958 2.813 -1.063
104 H GLU 15 H GLU 15 7.748 -0.525 0.383
105 HA GLU 15 HA GLU 15 10.419 0.250 0.020
106 1HB GLU 15 1HB GLU 15 8.903 1.070 1.770
107 2HB GLU 15 2HB GLU 15 8.938 -0.511 2.571
108 1HG GLU 15 1HG GLU 15 11.362 -0.262 2.977
109 2HG GLU 15 2HG GLU 15 11.360 1.284 2.111
110 H LEU 16 H LEU 16 9.124 -2.704 1.639
111 HA LEU 16 HA LEU 16 11.629 -3.920 2.167
112 1HB LEU 16 1HB LEU 16 8.844 -5.064 1.781
113 2HB LEU 16 2HB LEU 16 10.218 -6.031 2.325
114 HG LEU 16 HG LEU 16 9.285 -3.540 3.820
115 1HD1 LEU 16 1HD1 LEU 16 7.462 -5.217 3.730
116 2HD1 LEU 16 2HD1 LEU 16 8.579 -6.461 4.328
117 3HD1 LEU 16 3HD1 LEU 16 8.143 -5.081 5.360
118 1HD2 LEU 16 1HD2 LEU 16 11.067 -5.885 4.616
119 2HD2 LEU 16 2HD2 LEU 16 11.592 -4.206 4.363
120 3HD2 LEU 16 3HD2 LEU 16 10.513 -4.597 5.703
121 H HIS 17 H HIS 17 9.477 -4.124 -0.698
122 HA HIS 17 HA HIS 17 10.992 -6.147 -2.040
123 1HB HIS 17 1HB HIS 17 8.663 -5.659 -2.584
124 2HB HIS 17 2HB HIS 17 9.093 -4.020 -3.096
125 HD1 HIS 17 HD1 HIS 17 10.291 -7.573 -3.999
126 HD2 HIS 17 HD2 HIS 17 9.355 -3.913 -5.815
127 HE1 HIS 17 HE1 HIS 17 10.631 -7.859 -6.502
128 H LYS 18 H LYS 18 11.275 -2.589 -1.895
129 HA LYS 18 HA LYS 18 13.055 -2.330 -4.117
130 1HB LYS 18 1HB LYS 18 11.702 -0.495 -3.292
131 2HB LYS 18 2HB LYS 18 12.554 -0.498 -1.739
132 1HG LYS 18 1HG LYS 18 14.660 0.096 -2.868
133 2HG LYS 18 2HG LYS 18 13.850 0.026 -4.448
134 1HD LYS 18 1HD LYS 18 12.325 1.843 -3.758
135 2HD LYS 18 2HD LYS 18 13.108 1.923 -2.169
136 1HE LYS 18 1HE LYS 18 14.490 2.441 -4.844
137 2HE LYS 18 2HE LYS 18 13.884 3.693 -3.746
138 1HZ LYS 18 1HZ LYS 18 15.383 2.884 -2.081
139 2HZ LYS 18 2HZ LYS 18 15.976 1.741 -3.112
140 3HZ LYS 18 3HZ LYS 18 16.196 3.341 -3.440
141 H LEU 19 H LEU 19 13.696 -2.210 -0.544
142 HA LEU 19 HA LEU 19 16.533 -2.255 -0.920
143 1HB LEU 19 1HB LEU 19 16.708 -2.415 1.475
144 2HB LEU 19 2HB LEU 19 15.564 -1.191 0.950
145 HG LEU 19 HG LEU 19 13.828 -3.264 1.371
146 1HD1 LEU 19 1HD1 LEU 19 15.720 -4.725 2.274
147 2HD1 LEU 19 2HD1 LEU 19 15.937 -3.526 3.557
148 3HD1 LEU 19 3HD1 LEU 19 14.411 -4.420 3.428
149 1HD2 LEU 19 1HD2 LEU 19 13.637 -0.963 2.250
150 2HD2 LEU 19 2HD2 LEU 19 13.298 -2.170 3.503
151 3HD2 LEU 19 3HD2 LEU 19 14.863 -1.328 3.479
152 H GLN 20 H GLN 20 14.239 -4.803 0.118
153 HA GLN 20 HA GLN 20 14.294 -7.014 0.178
154 1HB GLN 20 1HB GLN 20 14.094 -6.541 -2.187
155 2HB GLN 20 2HB GLN 20 15.842 -6.645 -2.416
156 1HG GLN 20 1HG GLN 20 15.765 -9.041 -1.720
157 2HG GLN 20 2HG GLN 20 14.033 -8.883 -1.386
158 1HE2 GLN 20 2HE2 GLN 20 16.477 -8.558 -4.011
159 2HE2 GLN 20 1HE2 GLN 20 15.397 -9.017 -5.309
160 H THR 21 H THR 21 17.514 -6.979 -1.315
161 HA THR 21 HA THR 21 18.631 -8.796 0.586
162 HB THR 21 HB THR 21 19.353 -8.603 -1.763
163 HG1 THR 21 HG1 THR 21 21.565 -8.738 -1.267
164 1HG2 THR 21 1HG2 THR 21 19.314 -6.114 -2.022
165 2HG2 THR 21 2HG2 THR 21 20.711 -5.994 -0.929
166 3HG2 THR 21 3HG2 THR 21 20.866 -6.826 -2.484
167 H TYR 22 H TYR 22 18.264 -5.329 0.556
168 HA TYR 22 HA TYR 22 18.767 -3.686 1.940
169 1HB TYR 22 1HB TYR 22 17.837 -4.972 3.713
170 2HB TYR 22 2HB TYR 22 19.317 -5.888 3.938
171 HD1 TYR 22 HD1 TYR 22 20.690 -5.273 5.724
172 HD2 TYR 22 HD2 TYR 22 18.288 -2.246 3.803
173 HE1 TYR 22 HE1 TYR 22 21.726 -3.542 7.151
174 HE2 TYR 22 HE2 TYR 22 19.347 -0.514 5.220
175 HH TYR 22 HH TYR 22 21.895 -1.299 7.619
176 HA PRO 23 HA PRO 23 23.265 -3.493 0.957
177 1HB PRO 23 1HB PRO 23 22.219 -0.702 0.465
178 2HB PRO 23 2HB PRO 23 23.450 -1.614 -0.450
179 1HG PRO 23 1HG PRO 23 20.936 -1.357 -1.434
180 2HG PRO 23 2HG PRO 23 21.755 -2.948 -1.503
181 1HD PRO 23 1HD PRO 23 19.748 -1.986 0.558
182 2HD PRO 23 2HD PRO 23 19.766 -3.523 -0.359
183 H ARG 24 H ARG 24 24.470 -3.208 2.805
184 HA ARG 24 HA ARG 24 23.299 -2.228 5.189
185 1HB ARG 24 1HB ARG 24 25.448 -2.620 6.220
186 2HB ARG 24 2HB ARG 24 24.990 -3.972 5.175
187 1HG ARG 24 1HG ARG 24 26.526 -3.130 3.404
188 2HG ARG 24 2HG ARG 24 26.957 -1.760 4.445
189 1HD ARG 24 1HD ARG 24 27.782 -3.338 6.168
190 2HD ARG 24 2HD ARG 24 27.458 -4.691 5.061
191 HE ARG 24 HE ARG 24 29.011 -2.926 3.593
192 1HH1 ARG 24 1HH2 ARG 24 29.448 -4.679 6.660
193 2HH1 ARG 24 2HH2 ARG 24 31.190 -4.703 6.523
194 1HH2 ARG 24 1HH1 ARG 24 31.281 -2.976 3.447
195 2HH2 ARG 24 2HH1 ARG 24 32.230 -3.742 4.700
196 H THR 25 H THR 25 23.497 -0.348 6.332
197 HA THR 25 HA THR 25 24.407 2.041 4.846
198 HB THR 25 HB THR 25 23.222 3.241 6.673
199 HG1 THR 25 HG1 THR 25 22.361 0.643 7.422
200 1HG2 THR 25 1HG2 THR 25 22.081 2.711 4.557
201 2HG2 THR 25 2HG2 THR 25 21.570 1.138 5.203
202 3HG2 THR 25 3HG2 THR 25 20.957 2.637 5.928
203 H ASP 26 H ASP 26 26.683 1.447 5.017
204 HA ASP 26 HA ASP 26 28.044 1.300 7.531
205 1HB ASP 26 1HB ASP 26 29.054 2.130 4.778
206 2HB ASP 26 2HB ASP 26 30.073 1.731 6.168
207 H VAL 27 H VAL 27 29.145 2.858 8.699
208 HA VAL 27 HA VAL 27 28.084 5.544 8.642
209 HB VAL 27 HB VAL 27 30.320 4.255 10.261
210 1HG1 VAL 27 1HG1 VAL 27 28.932 6.953 10.612
211 2HG1 VAL 27 2HG1 VAL 27 30.031 6.202 11.789
212 3HG1 VAL 27 3HG1 VAL 27 30.645 6.704 10.211
213 1HG2 VAL 27 1HG2 VAL 27 27.416 4.890 10.945
214 2HG2 VAL 27 2HG2 VAL 27 28.099 3.268 10.698
215 3HG2 VAL 27 3HG2 VAL 27 28.632 4.248 12.070
216 H GLY 28 H GLY 28 31.446 4.265 8.297
217 1HA GLY 28 1HA GLY 28 33.229 4.981 7.076
218 2HA GLY 28 2HA GLY 28 32.118 5.855 6.009
219 H ALA 29 H ALA 29 32.106 8.052 6.154
220 HA ALA 29 HA ALA 29 32.496 10.166 6.772
221 1HB ALA 29 1HB ALA 29 30.874 9.459 8.535
222 2HB ALA 29 2HB ALA 29 32.234 9.155 9.634
223 3HB ALA 29 3HB ALA 29 31.918 10.794 9.036
224 H GLY 30 H GLY 30 33.836 11.511 8.736
225 1HA GLY 30 1HA GLY 30 36.609 11.196 8.084
226 2HA GLY 30 2HA GLY 30 35.915 12.233 9.344
227 H THR 31 H THR 31 34.932 10.917 11.260
228 HA THR 31 HA THR 31 36.906 9.124 12.403
229 HB THR 31 HB THR 31 35.234 8.975 14.249
230 HG1 THR 31 HG1 THR 31 33.400 9.406 12.898
231 1HG2 THR 31 1HG2 THR 31 37.018 10.695 14.253
232 2HG2 THR 31 2HG2 THR 31 35.952 11.808 13.366
233 3HG2 THR 31 3HG2 THR 31 35.527 11.289 15.009
234 HA PRO 32 HA PRO 32 35.238 5.563 10.166
235 1HB PRO 32 1HB PRO 32 36.329 4.176 12.631
236 2HB PRO 32 2HB PRO 32 36.396 3.637 10.926
237 1HG PRO 32 1HG PRO 32 38.537 4.872 12.011
238 2HG PRO 32 2HG PRO 32 37.970 5.375 10.389
239 1HD PRO 32 1HD PRO 32 37.466 6.736 13.044
240 2HD PRO 32 2HD PRO 32 37.909 7.435 11.456
241 H1 NAG 33 H1 NAG 33 -8.127 2.128 0.355
242 H2 NAG 33 H2 NAG 33 -10.189 4.175 -0.562
243 H3 NAG 33 H3 NAG 33 -9.403 1.518 -1.819
244 H4 NAG 33 H4 NAG 33 -9.023 4.412 -2.669
245 H5 NAG 33 H5 NAG 33 -7.009 2.299 -1.792
246 1H6 NAG 33 1H6 NAG 33 -5.369 4.172 -1.917
247 2H6 NAG 33 2H6 NAG 33 -6.585 5.163 -2.755
248 1H8 NAG 33 1H8 NAG 33 -11.989 1.142 2.439
249 2H8 NAG 33 2H8 NAG 33 -12.877 0.711 0.958
250 3H8 NAG 33 3H8 NAG 33 -11.789 -0.470 1.719
251 HN2 NAG 33 HN2 NAG 33 -11.644 2.944 0.635
252 HO3 NAG 33 HO3 NAG 33 -11.261 3.559 -2.612
253 HO6 NAG 33 HO6 NAG 33 -5.140 4.088 -4.182
254 H1 NAG 34 H1 NAG 34 -9.370 1.023 -3.881
255 H2 NAG 34 H2 NAG 34 -7.759 1.952 -6.308
256 H3 NAG 34 H3 NAG 34 -9.331 -0.627 -5.883
257 H4 NAG 34 H4 NAG 34 -6.350 -0.070 -6.114
258 H5 NAG 34 H5 NAG 34 -8.060 -0.924 -3.730
259 1H6 NAG 34 1H6 NAG 34 -5.820 -2.013 -3.724
260 2H6 NAG 34 2H6 NAG 34 -6.015 -0.826 -2.425
261 1H8 NAG 34 1H8 NAG 34 -12.124 3.473 -6.508
262 2H8 NAG 34 2H8 NAG 34 -12.134 2.294 -7.841
263 3H8 NAG 34 3H8 NAG 34 -13.175 2.043 -6.423
264 HN2 NAG 34 HN2 NAG 34 -9.720 2.747 -7.080
265 HO3 NAG 34 HO3 NAG 34 -7.674 0.287 -8.040
266 HO6 NAG 34 HO6 NAG 34 -4.691 -0.391 -4.898
267 H1 MAN 35 H1 MAN 35 -5.046 -2.096 -6.200
268 H2 MAN 35 H2 MAN 35 -5.895 -4.410 -5.826
269 H3 MAN 35 H3 MAN 35 -3.826 -4.181 -6.994
270 H4 MAN 35 H4 MAN 35 -5.343 -4.001 -9.607
271 H5 MAN 35 H5 MAN 35 -3.984 -1.618 -8.280
272 1H6 MAN 35 1H6 MAN 35 -5.136 -0.380 -10.086
273 2H6 MAN 35 2H6 MAN 35 -5.957 -1.881 -10.579
274 HO2 MAN 35 HO2 MAN 35 -7.168 -3.997 -8.360
275 HO4 MAN 35 HO4 MAN 35 -2.627 -3.488 -8.852
276 H1 MAN 36 H1 MAN 36 -4.541 -0.529 -12.505
277 H2 MAN 36 H2 MAN 36 -6.007 -2.577 -12.541
278 H3 MAN 36 H3 MAN 36 -4.262 -4.088 -11.698
279 H4 MAN 36 H4 MAN 36 -3.055 -3.842 -14.472
280 H5 MAN 36 H5 MAN 36 -2.021 -2.996 -11.719
281 1H6 MAN 36 1H6 MAN 36 -0.234 -1.865 -13.058
282 2H6 MAN 36 2H6 MAN 36 -0.809 -2.772 -14.490
283 HO2 MAN 36 HO2 MAN 36 -5.546 -1.445 -14.511
284 HO4 MAN 36 HO4 MAN 36 -2.935 -5.938 -13.465
285 H1 MAN 37 H1 MAN 37 -2.730 -5.848 -8.224
286 H2 MAN 37 H2 MAN 37 -3.963 -7.146 -9.955
287 H3 MAN 37 H3 MAN 37 -5.650 -8.190 -8.581
288 H4 MAN 37 H4 MAN 37 -3.371 -9.728 -7.266
289 H5 MAN 37 H5 MAN 37 -5.201 -7.552 -6.139
290 1H6 MAN 37 1H6 MAN 37 -2.848 -9.036 -4.887
291 2H6 MAN 37 2H6 MAN 37 -4.563 -9.249 -4.455
292 HO3 MAN 37 HO3 MAN 37 -5.345 -10.367 -9.303
293 HO4 MAN 37 HO4 MAN 37 -5.395 -10.841 -7.467
294 HO6 MAN 37 HO6 MAN 37 -3.477 -7.787 -3.067
295 H1 MAN 38 H1 MAN 38 1.396 -3.332 -14.338
296 H2 MAN 38 H2 MAN 38 0.875 -5.777 -14.560
297 H3 MAN 38 H3 MAN 38 0.538 -6.305 -12.212
298 H4 MAN 38 H4 MAN 38 3.522 -5.802 -11.861
299 H5 MAN 38 H5 MAN 38 1.126 -4.215 -10.816
300 1H6 MAN 38 1H6 MAN 38 4.122 -3.705 -10.598
301 2H6 MAN 38 2H6 MAN 38 3.041 -4.189 -9.268
302 HO2 MAN 38 HO2 MAN 38 3.560 -5.120 -13.795
303 HO3 MAN 38 HO3 MAN 38 2.852 -7.631 -13.259
304 HO4 MAN 38 HO4 MAN 38 2.980 -6.199 -9.664
305 HO6 MAN 38 HO6 MAN 38 3.380 -1.928 -9.349
306 H1 MAN 39 H1 MAN 39 -4.533 -6.322 -11.863
307 H2 MAN 39 H2 MAN 39 -5.409 -7.552 -13.869
308 H3 MAN 39 H3 MAN 39 -7.344 -6.185 -14.370
309 H4 MAN 39 H4 MAN 39 -8.513 -7.143 -11.723
310 H5 MAN 39 H5 MAN 39 -7.515 -4.377 -12.560
311 1H6 MAN 39 1H6 MAN 39 -7.848 -3.793 -10.181
312 2H6 MAN 39 2H6 MAN 39 -8.640 -5.363 -9.903
313 HO2 MAN 39 HO2 MAN 39 -5.242 -8.499 -11.747
314 HO3 MAN 39 HO3 MAN 39 -8.914 -7.885 -14.485
315 HO4 MAN 39 HO4 MAN 39 -10.008 -6.760 -13.450
316 HO6 MAN 39 HO6 MAN 39 -9.476 -3.334 -11.715
317 H1 MAN 40 H1 MAN 40 -1.632 -6.720 -10.435
318 H2 MAN 40 H2 MAN 40 -3.231 -8.274 -11.656
319 H3 MAN 40 H3 MAN 40 -2.481 -10.386 -10.703
320 H4 MAN 40 H4 MAN 40 0.126 -9.910 -12.205
321 H5 MAN 40 H5 MAN 40 -0.460 -9.928 -9.205
322 1H6 MAN 40 1H6 MAN 40 2.122 -9.379 -10.732
323 2H6 MAN 40 2H6 MAN 40 1.782 -10.812 -9.732
324 HO2 MAN 40 HO2 MAN 40 -1.873 -8.338 -13.533
325 HO3 MAN 40 HO3 MAN 40 -2.219 -11.528 -12.705
326 HO4 MAN 40 HO4 MAN 40 0.699 -11.861 -11.129
327 HO6 MAN 40 HO6 MAN 40 1.507 -9.387 -7.957
328 1HN NH2 41 1HN NH2 41 33.095 5.018 10.094
329 2HN NH2 41 2HN NH2 41 32.073 4.718 11.483