Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
563775 | 2m9j RC | 19296 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H1 LYS 1 -11.272 4.668 1.942
2 H2 LYS 1 H2 LYS 1 -10.131 3.534 1.640
3 H3 LYS 1 H3 LYS 1 -11.731 3.115 1.617
4 HA LYS 1 HA LYS 1 -12.092 4.625 -0.261
5 HB2 LYS 1 HB2 LYS 1 -9.053 4.717 -0.355
6 HB3 LYS 1 HB3 LYS 1 -10.144 5.368 -1.561
7 HG2 LYS 1 HG2 LYS 1 -10.696 7.218 -0.301
8 HG3 LYS 1 HG3 LYS 1 -10.539 6.384 1.239
9 HD2 LYS 1 HD2 LYS 1 -8.801 8.038 1.084
10 HD3 LYS 1 HD3 LYS 1 -8.090 6.424 1.083
11 HE2 LYS 1 HE2 LYS 1 -7.946 6.588 -1.458
12 HE3 LYS 1 HE3 LYS 1 -8.461 8.278 -1.315
13 HZ1 LYS 1 HZ1 LYS 1 -6.482 8.637 0.100
14 HZ2 LYS 1 HZ2 LYS 1 -6.046 7.051 -0.110
15 HZ3 LYS 1 HZ3 LYS 1 -6.038 8.056 -1.390
16 H LEU 2 H LEU 2 -9.072 2.710 -0.906
17 HA LEU 2 HA LEU 2 -10.681 0.830 -2.401
18 HB2 LEU 2 HB2 LEU 2 -7.845 0.253 -1.927
19 HB3 LEU 2 HB3 LEU 2 -8.833 -0.223 -3.178
20 HG LEU 2 HG LEU 2 -9.057 1.749 -4.349
21 HD11 LEU 2 HD11 LEU 2 -7.002 3.053 -2.546
22 HD12 LEU 2 HD12 LEU 2 -7.490 3.624 -4.134
23 HD13 LEU 2 HD13 LEU 2 -8.671 3.591 -2.843
24 HD21 LEU 2 HD21 LEU 2 -6.163 0.925 -3.876
25 HD22 LEU 2 HD22 LEU 2 -7.340 0.105 -4.923
26 HD23 LEU 2 HD23 LEU 2 -6.802 1.735 -5.318
27 HA PRO 3 HA PRO 3 -11.869 -2.149 0.324
28 HB2 PRO 3 HB2 PRO 3 -10.106 -4.203 -1.035
29 HB3 PRO 3 HB3 PRO 3 -11.864 -4.336 -0.663
30 HG2 PRO 3 HG2 PRO 3 -11.082 -3.766 -3.156
31 HG3 PRO 3 HG3 PRO 3 -12.361 -2.723 -2.421
32 HD2 PRO 3 HD2 PRO 3 -9.349 -2.237 -2.454
33 HD3 PRO 3 HD3 PRO 3 -10.617 -1.139 -3.021
34 HA PRO 4 HA PRO 4 -9.359 -3.710 3.754
35 HB2 PRO 4 HB2 PRO 4 -11.257 -6.061 3.558
36 HB3 PRO 4 HB3 PRO 4 -10.743 -5.153 5.016
37 HG2 PRO 4 HG2 PRO 4 -13.178 -4.703 3.914
38 HG3 PRO 4 HG3 PRO 4 -12.175 -3.323 4.470
39 HD2 PRO 4 HD2 PRO 4 -12.538 -4.369 1.656
40 HD3 PRO 4 HD3 PRO 4 -12.528 -2.679 2.253
41 H GLY 5 H GLY 5 -7.579 -5.128 3.805
42 HA2 GLY 5 HA2 GLY 5 -6.434 -7.177 2.900
43 HA3 GLY 5 HA3 GLY 5 -7.201 -6.821 1.368
44 H TRP 6 H TRP 6 -6.824 -3.776 1.226
45 HA TRP 6 HA TRP 6 -4.014 -3.769 0.612
46 HB2 TRP 6 HB2 TRP 6 -6.012 -1.570 1.051
47 HB3 TRP 6 HB3 TRP 6 -4.390 -1.359 0.446
48 HD1 TRP 6 HD1 TRP 6 -7.754 -1.807 -0.834
49 HE1 TRP 6 HE1 TRP 6 -7.680 -1.981 -3.370
50 HE3 TRP 6 HE3 TRP 6 -2.775 -2.260 -1.399
51 HZ2 TRP 6 HZ2 TRP 6 -5.692 -2.355 -5.438
52 HZ3 TRP 6 HZ3 TRP 6 -1.790 -2.233 -3.618
53 HH2 TRP 6 HH2 TRP 6 -3.205 -2.358 -5.684
54 H GLU 7 H GLU 7 -2.290 -3.191 1.687
55 HA GLU 7 HA GLU 7 -2.440 -1.934 4.395
56 HB2 GLU 7 HB2 GLU 7 -2.459 -4.444 4.456
57 HB3 GLU 7 HB3 GLU 7 -0.927 -4.442 3.574
58 HG2 GLU 7 HG2 GLU 7 0.136 -3.236 5.492
59 HG3 GLU 7 HG3 GLU 7 -1.413 -3.288 6.356
60 H LYS 8 H LYS 8 -0.520 -0.699 4.954
61 HA LYS 8 HA LYS 8 0.917 0.394 2.748
62 HB2 LYS 8 HB2 LYS 8 0.434 1.561 4.905
63 HB3 LYS 8 HB3 LYS 8 1.684 0.589 5.690
64 HG2 LYS 8 HG2 LYS 8 3.372 1.529 4.116
65 HG3 LYS 8 HG3 LYS 8 2.126 2.453 3.297
66 HD2 LYS 8 HD2 LYS 8 2.656 2.864 6.271
67 HD3 LYS 8 HD3 LYS 8 3.704 3.564 5.048
68 HE2 LYS 8 HE2 LYS 8 2.249 5.310 5.432
69 HE3 LYS 8 HE3 LYS 8 1.617 4.574 3.962
70 HZ1 LYS 8 HZ1 LYS 8 0.526 4.325 6.707
71 HZ2 LYS 8 HZ2 LYS 8 -0.217 4.978 5.376
72 HZ3 LYS 8 HZ3 LYS 8 0.003 3.382 5.453
73 H ARG 9 H ARG 9 3.002 0.220 2.059
74 HA ARG 9 HA ARG 9 4.659 -2.048 3.009
75 HB2 ARG 9 HB2 ARG 9 2.805 -2.625 1.207
76 HB3 ARG 9 HB3 ARG 9 3.828 -1.745 0.090
77 HG2 ARG 9 HG2 ARG 9 4.249 -4.100 -0.125
78 HG3 ARG 9 HG3 ARG 9 5.671 -3.367 0.584
79 HD2 ARG 9 HD2 ARG 9 5.362 -5.359 1.790
80 HD3 ARG 9 HD3 ARG 9 4.801 -4.118 2.891
81 HE ARG 9 HE ARG 9 3.096 -6.003 1.310
82 HH11 ARG 9 HH11 ARG 9 2.823 -3.680 4.084
83 HH12 ARG 9 HH12 ARG 9 1.847 -4.907 4.885
84 HH21 ARG 9 HH21 ARG 9 1.594 -7.211 2.587
85 HH22 ARG 9 HH22 ARG 9 1.125 -6.444 4.123
86 H MET 10 H MET 10 6.890 -1.955 2.223
87 HA MET 10 HA MET 10 7.695 0.723 1.224
88 HB2 MET 10 HB2 MET 10 7.713 0.683 3.732
89 HB3 MET 10 HB3 MET 10 8.915 -0.613 3.655
90 HG2 MET 10 HG2 MET 10 10.295 1.022 2.181
91 HG3 MET 10 HG3 MET 10 9.196 2.268 2.717
92 HE1 MET 10 HE1 MET 10 9.224 3.416 4.976
93 HE2 MET 10 HE2 MET 10 8.592 1.912 5.690
94 HE3 MET 10 HE3 MET 10 9.969 2.745 6.444
95 H PHE 11 H PHE 11 9.255 0.754 -0.205
96 HA PHE 11 HA PHE 11 10.476 -1.687 -1.223
97 HB2 PHE 11 HB2 PHE 11 10.657 1.242 -1.965
98 HB3 PHE 11 HB3 PHE 11 11.433 -0.057 -2.852
99 HD1 PHE 11 HD2 PHE 11 9.906 -2.022 -3.672
100 HD2 PHE 11 HD1 PHE 11 8.389 1.880 -2.564
101 HE1 PHE 11 HE2 PHE 11 7.980 -2.314 -5.209
102 HE2 PHE 11 HE1 PHE 11 6.614 1.655 -4.252
103 HZ PHE 11 HZ PHE 11 6.377 -0.452 -5.542
104 H ARG 12 H ARG 12 11.901 -2.449 0.280
105 HA ARG 12 HA ARG 12 14.058 -0.958 1.486
106 HB2 ARG 12 HB2 ARG 12 13.685 -3.904 0.785
107 HB3 ARG 12 HB3 ARG 12 15.160 -3.287 1.518
108 HG2 ARG 12 HG2 ARG 12 13.734 -4.236 3.218
109 HG3 ARG 12 HG3 ARG 12 13.947 -2.505 3.493
110 HD2 ARG 12 HD2 ARG 12 11.705 -2.031 2.690
111 HD3 ARG 12 HD3 ARG 12 11.505 -3.711 2.137
112 HE ARG 12 HE ARG 12 12.080 -3.580 4.956
113 HH11 ARG 12 HH11 ARG 12 9.399 -3.043 2.721
114 HH12 ARG 12 HH12 ARG 12 8.226 -3.632 3.891
115 HH21 ARG 12 HH21 ARG 12 10.505 -4.162 6.419
116 HH22 ARG 12 HH22 ARG 12 8.832 -4.135 5.963
117 H SER 13 H SER 13 16.221 -0.857 0.839
118 HA SER 13 HA SER 13 17.964 -0.427 -0.479
119 HB2 SER 13 HB2 SER 13 18.308 -1.147 -2.698
120 HB3 SER 13 HB3 SER 13 17.527 -2.469 -1.815
121 HG SER 13 HG SER 13 15.515 -1.668 -2.686
122 H ASN 14 H ASN 14 14.826 1.012 -1.127
123 HA ASN 14 HA ASN 14 16.441 3.433 -1.680
124 HB2 ASN 14 HB2 ASN 14 15.237 4.213 -3.513
125 HB3 ASN 14 HB3 ASN 14 15.673 2.552 -3.876
126 HD21 ASN 14 HD21 ASN 14 14.038 2.559 -5.523
127 H GLY 15 H GLY 15 13.510 2.128 -0.212
128 HA2 GLY 15 HA2 GLY 15 12.816 2.929 1.898
129 HA3 GLY 15 HA3 GLY 15 13.531 4.510 1.569
130 H THR 16 H THR 16 11.859 3.524 -1.171
131 HA THR 16 HA THR 16 9.725 5.442 -0.904
132 HB THR 16 HB THR 16 10.039 3.107 -2.824
133 HG1 THR 16 HG1 THR 16 11.724 4.308 -2.978
134 HG21 THR 16 HG21 THR 16 8.325 5.603 -3.103
135 HG22 THR 16 HG22 THR 16 8.704 4.464 -4.414
136 HG23 THR 16 HG23 THR 16 7.752 3.913 -3.047
137 H VAL 17 H VAL 17 7.382 4.799 -1.114
138 HA VAL 17 HA VAL 17 6.637 2.523 0.601
139 HB VAL 17 HB VAL 17 6.084 5.437 1.209
140 HG11 VAL 17 HG11 VAL 17 4.499 3.073 2.297
141 HG12 VAL 17 HG12 VAL 17 4.465 4.730 2.941
142 HG13 VAL 17 HG13 VAL 17 3.859 4.417 1.319
143 HG21 VAL 17 HG21 VAL 17 6.782 4.751 3.478
144 HG22 VAL 17 HG22 VAL 17 6.919 3.064 2.937
145 HG23 VAL 17 HG23 VAL 17 8.029 4.309 2.306
146 H TYR 18 H TYR 18 4.561 1.829 0.269
147 HA TYR 18 HA TYR 18 2.760 3.009 -1.671
148 HB2 TYR 18 HB2 TYR 18 2.879 1.281 -3.313
149 HB3 TYR 18 HB3 TYR 18 4.466 1.968 -3.141
150 HD1 TYR 18 HD1 TYR 18 6.061 0.600 -1.381
151 HD2 TYR 18 HD2 TYR 18 2.737 -0.976 -3.628
152 HE1 TYR 18 HE1 TYR 18 7.085 -1.640 -1.288
153 HE2 TYR 18 HE2 TYR 18 3.768 -3.262 -3.502
154 HH TYR 18 HH TYR 18 6.996 -3.790 -2.193
155 H TYR 19 H TYR 19 1.160 0.695 -2.160
156 HA TYR 19 HA TYR 19 0.651 -0.475 0.486
157 HB2 TYR 19 HB2 TYR 19 -1.209 1.192 -1.179
158 HB3 TYR 19 HB3 TYR 19 -1.856 -0.292 -0.515
159 HD1 TYR 19 HD2 TYR 19 0.176 2.661 0.639
160 HD2 TYR 19 HD1 TYR 19 -2.836 -0.258 1.600
161 HE1 TYR 19 HE2 TYR 19 -0.159 3.719 2.856
162 HE2 TYR 19 HE1 TYR 19 -3.244 0.870 3.782
163 HH TYR 19 HH TYR 19 -1.889 4.002 4.583
164 H PHE 20 H PHE 20 -0.207 -2.492 0.411
165 HA PHE 20 HA PHE 20 -0.131 -3.963 -2.185
166 HB2 PHE 20 HB2 PHE 20 1.978 -4.061 -0.920
167 HB3 PHE 20 HB3 PHE 20 1.126 -4.684 0.490
168 HD1 PHE 20 HD2 PHE 20 0.137 -7.001 0.453
169 HD2 PHE 20 HD1 PHE 20 2.509 -5.471 -2.808
170 HE1 PHE 20 HE2 PHE 20 0.383 -9.305 -0.468
171 HE2 PHE 20 HE1 PHE 20 2.658 -7.764 -3.767
172 HZ PHE 20 HZ PHE 20 1.574 -9.673 -2.593
173 H ASN 21 H ASN 21 -1.847 -5.267 -2.462
174 HA ASN 21 HA ASN 21 -3.751 -5.565 -0.221
175 HB2 ASN 21 HB2 ASN 21 -4.497 -4.843 -2.546
176 HB3 ASN 21 HB3 ASN 21 -4.155 -6.480 -3.058
177 HD21 ASN 21 HD22 ASN 21 -6.648 -4.488 -1.861
178 HD22 ASN 21 HD21 ASN 21 -7.602 -5.785 -1.157
179 H HIS 22 H HIS 22 -2.961 -7.114 1.190
180 HA HIS 22 HA HIS 22 -1.705 -9.524 0.046
181 HB2 HIS 22 HB2 HIS 22 -1.371 -10.225 2.362
182 HB3 HIS 22 HB3 HIS 22 -0.708 -8.652 1.998
183 HD2 HIS 22 HD2 HIS 22 -1.254 -6.738 3.575
184 HE1 HIS 22 HE1 HIS 22 -4.085 -8.735 6.038
185 HE2 HIS 22 HE2 HIS 22 -2.445 -6.741 5.876
186 H ILE 23 H ILE 23 -4.877 -8.748 0.148
187 HA ILE 23 HA ILE 23 -5.766 -11.557 0.548
188 HB ILE 23 HB ILE 23 -7.143 -8.872 0.439
189 HG12 ILE 23 HG12 ILE 23 -7.060 -11.184 2.425
190 HG13 ILE 23 HG13 ILE 23 -6.243 -9.633 2.581
191 HG21 ILE 23 HG21 ILE 23 -9.313 -9.914 0.476
192 HG22 ILE 23 HG22 ILE 23 -8.483 -10.284 -1.028
193 HG23 ILE 23 HG23 ILE 23 -8.579 -11.529 0.248
194 HD11 ILE 23 HD11 ILE 23 -9.223 -10.175 2.774
195 HD12 ILE 23 HD12 ILE 23 -8.130 -9.553 4.018
196 HD13 ILE 23 HD13 ILE 23 -8.551 -8.536 2.626
197 H THR 24 H THR 24 -5.425 -9.069 -2.024
198 HA THR 24 HA THR 24 -6.186 -11.155 -4.032
199 HB THR 24 HB THR 24 -6.449 -9.398 -5.611
200 HG1 THR 24 HG1 THR 24 -6.164 -7.234 -4.939
201 HG21 THR 24 HG21 THR 24 -8.278 -8.115 -4.675
202 HG22 THR 24 HG22 THR 24 -8.344 -9.758 -4.012
203 HG23 THR 24 HG23 THR 24 -7.719 -8.425 -3.017
204 H ASN 25 H ASN 25 -3.421 -9.462 -2.936
205 HA ASN 25 HA ASN 25 -1.228 -9.671 -3.279
206 HB2 ASN 25 HB2 ASN 25 -1.668 -11.144 -5.903
207 HB3 ASN 25 HB3 ASN 25 -0.154 -10.928 -5.043
208 HD21 ASN 25 HD22 ASN 25 -3.241 -12.603 -5.003
209 HD22 ASN 25 HD21 ASN 25 -2.715 -13.846 -3.845
210 H ALA 26 H ALA 26 -3.341 -7.738 -4.786
211 HA ALA 26 HA ALA 26 -1.767 -6.559 -6.873
212 HB1 ALA 26 HB1 ALA 26 -3.402 -4.739 -6.735
213 HB2 ALA 26 HB2 ALA 26 -4.225 -6.303 -6.609
214 HB3 ALA 26 HB3 ALA 26 -3.952 -5.317 -5.151
215 H SER 27 H SER 27 -0.923 -4.269 -6.881
216 HA SER 27 HA SER 27 -0.038 -3.144 -4.303
217 HB2 SER 27 HB2 SER 27 2.154 -2.531 -5.402
218 HB3 SER 27 HB3 SER 27 1.956 -4.151 -4.742
219 HG SER 27 HG SER 27 1.568 -4.896 -6.853
220 H GLN 28 H GLN 28 -0.027 -0.940 -4.304
221 HA GLN 28 HA GLN 28 -0.340 0.663 -6.747
222 HB2 GLN 28 HB2 GLN 28 -2.648 -0.024 -6.341
223 HB3 GLN 28 HB3 GLN 28 -2.517 0.365 -4.626
224 HG2 GLN 28 HG2 GLN 28 -3.847 2.007 -5.927
225 HG3 GLN 28 HG3 GLN 28 -2.495 2.715 -5.061
226 HE21 GLN 28 HE22 GLN 28 -3.424 1.566 -8.407
227 HE22 GLN 28 HE21 GLN 28 -2.360 2.752 -9.147
228 H PHE 29 H PHE 29 0.184 2.946 -6.257
229 HA PHE 29 HA PHE 29 1.800 3.129 -3.764
230 HB2 PHE 29 HB2 PHE 29 1.765 4.747 -6.304
231 HB3 PHE 29 HB3 PHE 29 2.624 5.230 -4.853
232 HD1 PHE 29 HD2 PHE 29 2.685 1.539 -5.711
233 HD2 PHE 29 HD1 PHE 29 4.706 5.367 -6.065
234 HE1 PHE 29 HE2 PHE 29 4.625 0.439 -6.644
235 HE2 PHE 29 HE1 PHE 29 6.705 4.194 -6.928
236 HZ PHE 29 HZ PHE 29 6.666 1.731 -7.246
237 H GLU 30 H GLU 30 -1.118 4.590 -5.262
238 HA GLU 30 HA GLU 30 -1.365 6.480 -3.046
239 HB2 GLU 30 HB2 GLU 30 -2.627 6.246 -5.493
240 HB3 GLU 30 HB3 GLU 30 -3.899 5.762 -4.384
241 HG2 GLU 30 HG2 GLU 30 -2.256 8.340 -4.257
242 HG3 GLU 30 HG3 GLU 30 -3.883 8.201 -4.913
243 H ARG 31 H ARG 31 -2.756 6.364 -1.379
244 HA ARG 31 HA ARG 31 -2.741 3.669 -0.131
245 HB2 ARG 31 HB2 ARG 31 -3.129 6.361 1.211
246 HB3 ARG 31 HB3 ARG 31 -2.794 4.809 1.969
247 HG2 ARG 31 HG2 ARG 31 -0.641 5.536 1.930
248 HG3 ARG 31 HG3 ARG 31 -0.645 4.898 0.286
249 HD2 ARG 31 HD2 ARG 31 0.381 7.055 0.313
250 HD3 ARG 31 HD3 ARG 31 -1.178 7.265 -0.485
251 HE ARG 31 HE ARG 31 -0.791 7.750 2.461
252 HH11 ARG 31 HH11 ARG 31 -2.499 8.913 -0.454
253 HH12 ARG 31 HH12 ARG 31 -3.049 10.306 0.449
254 HH21 ARG 31 HH21 ARG 31 -1.726 9.091 3.440
255 HH22 ARG 31 HH22 ARG 31 -2.689 10.411 2.741
256 HA PRO 32 HA PRO 32 -7.302 3.337 -0.416
257 HB2 PRO 32 HB2 PRO 32 -6.433 1.057 1.366
258 HB3 PRO 32 HB3 PRO 32 -7.820 1.134 0.243
259 HG2 PRO 32 HG2 PRO 32 -5.763 0.070 -0.777
260 HG3 PRO 32 HG3 PRO 32 -6.257 1.396 -1.669
261 HD2 PRO 32 HD2 PRO 32 -4.092 1.553 0.425
262 HD3 PRO 32 HD3 PRO 32 -4.045 2.118 -1.275
263 H SER 33 H SER 33 -5.361 3.412 2.510
264 HA SER 33 HA SER 33 -7.573 4.817 3.953
265 HB2 SER 33 HB2 SER 33 -6.376 4.199 6.041
266 HB3 SER 33 HB3 SER 33 -7.001 2.812 5.126
267 HG SER 33 HG SER 33 -4.840 2.470 5.814
268 H GLY 34 H GLY 34 -4.058 4.851 4.557
269 HA2 GLY 34 HA2 GLY 34 -3.728 7.613 3.604
270 HA3 GLY 34 HA3 GLY 34 -3.734 7.425 5.358
271 H1 NAG 101 H1 NAG 35 11.275 2.198 -4.477
272 H2 NAG 101 H2 NAG 35 12.154 3.141 -7.263
273 H3 NAG 101 H3 NAG 35 9.342 2.442 -6.271
274 H4 NAG 101 H4 NAG 35 11.145 1.008 -8.296
275 H5 NAG 101 H5 NAG 35 10.182 0.207 -5.528
276 H61 NAG 101 H61 NAG 35 10.350 -1.836 -6.855
277 H62 NAG 101 H62 NAG 35 11.897 -1.305 -7.545
278 H81 NAG 101 H2M NAG 35 11.649 7.051 -5.461
279 H82 NAG 101 H3M NAG 35 9.882 6.843 -5.504
280 H83 NAG 101 H1M NAG 35 10.718 7.640 -6.856
281 HN2 NAG 101 H2N NAG 35 11.075 4.591 -4.987
282 HO3 NAG 101 H3O NAG 35 10.077 4.043 -8.241
283 HO4 NAG 101 H4O NAG 35 8.802 1.192 -8.491
284 HO6 NAG 101 H6O NAG 35 12.588 -1.157 -5.247
Start of MODEL 2
1 H1 LYS 1 H1 LYS 1 -3.678 -1.272 6.795
2 H2 LYS 1 H2 LYS 1 -4.580 -2.565 6.348
3 H3 LYS 1 H3 LYS 1 -3.581 -2.651 7.656
4 HA LYS 1 HA LYS 1 -5.895 -2.376 8.413
5 HB2 LYS 1 HB2 LYS 1 -4.042 -0.008 8.836
6 HB3 LYS 1 HB3 LYS 1 -5.511 -0.258 9.772
7 HG2 LYS 1 HG2 LYS 1 -4.729 -2.114 10.903
8 HG3 LYS 1 HG3 LYS 1 -3.492 -2.499 9.727
9 HD2 LYS 1 HD2 LYS 1 -3.445 -0.071 11.569
10 HD3 LYS 1 HD3 LYS 1 -2.578 -1.577 11.869
11 HE2 LYS 1 HE2 LYS 1 -2.134 0.246 9.458
12 HE3 LYS 1 HE3 LYS 1 -1.134 0.241 10.909
13 HZ1 LYS 1 HZ1 LYS 1 -0.350 -1.921 10.390
14 HZ2 LYS 1 HZ2 LYS 1 -1.528 -2.205 9.262
15 HZ3 LYS 1 HZ3 LYS 1 -0.397 -1.184 8.890
16 H LEU 2 H LEU 2 -6.599 -2.147 5.870
17 HA LEU 2 HA LEU 2 -8.140 0.231 5.420
18 HB2 LEU 2 HB2 LEU 2 -5.567 -0.405 3.982
19 HB3 LEU 2 HB3 LEU 2 -6.875 0.348 3.083
20 HG LEU 2 HG LEU 2 -5.504 1.470 5.561
21 HD11 LEU 2 HD11 LEU 2 -5.587 2.692 2.840
22 HD12 LEU 2 HD12 LEU 2 -4.448 2.985 4.154
23 HD13 LEU 2 HD13 LEU 2 -4.391 1.477 3.209
24 HD21 LEU 2 HD21 LEU 2 -6.794 3.562 4.988
25 HD22 LEU 2 HD22 LEU 2 -7.763 2.612 3.843
26 HD23 LEU 2 HD23 LEU 2 -7.826 2.288 5.601
27 HA PRO 3 HA PRO 3 -11.024 -2.312 3.708
28 HB2 PRO 3 HB2 PRO 3 -10.470 -1.746 0.793
29 HB3 PRO 3 HB3 PRO 3 -12.044 -1.771 1.650
30 HG2 PRO 3 HG2 PRO 3 -10.866 0.589 1.145
31 HG3 PRO 3 HG3 PRO 3 -11.568 0.282 2.769
32 HD2 PRO 3 HD2 PRO 3 -8.688 0.129 1.899
33 HD3 PRO 3 HD3 PRO 3 -9.362 0.852 3.366
34 HA PRO 4 HA PRO 4 -10.136 -6.415 3.388
35 HB2 PRO 4 HB2 PRO 4 -11.513 -6.690 0.776
36 HB3 PRO 4 HB3 PRO 4 -11.544 -7.822 2.164
37 HG2 PRO 4 HG2 PRO 4 -13.565 -6.026 1.892
38 HG3 PRO 4 HG3 PRO 4 -12.827 -6.309 3.499
39 HD2 PRO 4 HD2 PRO 4 -12.437 -4.005 1.627
40 HD3 PRO 4 HD3 PRO 4 -12.447 -4.024 3.416
41 H GLY 5 H GLY 5 -8.208 -6.575 3.338
42 HA2 GLY 5 HA2 GLY 5 -6.352 -7.933 2.472
43 HA3 GLY 5 HA3 GLY 5 -6.637 -7.237 0.899
44 H TRP 6 H TRP 6 -6.821 -4.341 2.160
45 HA TRP 6 HA TRP 6 -4.114 -3.858 1.366
46 HB2 TRP 6 HB2 TRP 6 -6.095 -2.043 2.633
47 HB3 TRP 6 HB3 TRP 6 -4.588 -1.497 1.961
48 HD1 TRP 6 HD1 TRP 6 -8.021 -1.736 1.159
49 HE1 TRP 6 HE1 TRP 6 -8.458 -1.141 -1.233
50 HE3 TRP 6 HE3 TRP 6 -3.268 -2.181 -0.529
51 HZ2 TRP 6 HZ2 TRP 6 -6.890 -0.987 -3.739
52 HZ3 TRP 6 HZ3 TRP 6 -2.710 -1.578 -2.854
53 HH2 TRP 6 HH2 TRP 6 -4.511 -1.050 -4.498
54 H GLU 7 H GLU 7 -2.304 -3.733 2.324
55 HA GLU 7 HA GLU 7 -2.084 -2.448 4.949
56 HB2 GLU 7 HB2 GLU 7 -2.196 -4.883 5.421
57 HB3 GLU 7 HB3 GLU 7 -0.772 -5.141 4.417
58 HG2 GLU 7 HG2 GLU 7 -0.302 -5.059 6.881
59 HG3 GLU 7 HG3 GLU 7 0.609 -3.865 5.957
60 H LYS 8 H LYS 8 -0.139 -1.394 5.349
61 HA LYS 8 HA LYS 8 0.992 -0.148 3.058
62 HB2 LYS 8 HB2 LYS 8 0.580 0.820 5.347
63 HB3 LYS 8 HB3 LYS 8 2.049 0.018 5.901
64 HG2 LYS 8 HG2 LYS 8 3.359 1.316 4.216
65 HG3 LYS 8 HG3 LYS 8 1.878 2.059 3.613
66 HD2 LYS 8 HD2 LYS 8 2.841 2.318 6.488
67 HD3 LYS 8 HD3 LYS 8 3.287 3.466 5.233
68 HE2 LYS 8 HE2 LYS 8 0.361 2.854 5.793
69 HE3 LYS 8 HE3 LYS 8 1.243 3.969 6.828
70 HZ1 LYS 8 HZ1 LYS 8 -0.008 4.957 4.880
71 HZ2 LYS 8 HZ2 LYS 8 1.557 5.446 5.052
72 HZ3 LYS 8 HZ3 LYS 8 1.147 4.335 3.904
73 H ARG 9 H ARG 9 3.075 -0.064 2.246
74 HA ARG 9 HA ARG 9 4.938 -2.263 2.936
75 HB2 ARG 9 HB2 ARG 9 3.044 -2.746 1.074
76 HB3 ARG 9 HB3 ARG 9 4.104 -1.827 0.050
77 HG2 ARG 9 HG2 ARG 9 4.351 -4.282 -0.125
78 HG3 ARG 9 HG3 ARG 9 5.865 -3.509 0.306
79 HD2 ARG 9 HD2 ARG 9 5.213 -5.712 1.521
80 HD3 ARG 9 HD3 ARG 9 5.897 -4.389 2.453
81 HE ARG 9 HE ARG 9 3.737 -3.832 3.348
82 HH11 ARG 9 HH11 ARG 9 3.476 -6.864 1.598
83 HH12 ARG 9 HH12 ARG 9 1.933 -7.211 2.332
84 HH21 ARG 9 HH22 ARG 9 1.929 -4.200 4.107
85 HH22 ARG 9 HH21 ARG 9 1.005 -5.657 3.757
86 H MET 10 H MET 10 7.101 -1.986 2.127
87 HA MET 10 HA MET 10 7.754 0.786 1.306
88 HB2 MET 10 HB2 MET 10 7.872 0.477 3.834
89 HB3 MET 10 HB3 MET 10 9.148 -0.711 3.546
90 HG2 MET 10 HG2 MET 10 10.283 1.247 2.166
91 HG3 MET 10 HG3 MET 10 9.140 2.270 3.009
92 HE1 MET 10 HE1 MET 10 11.451 -0.849 3.993
93 HE2 MET 10 HE2 MET 10 12.419 0.310 3.050
94 HE3 MET 10 HE3 MET 10 12.772 0.046 4.774
95 H PHE 11 H PHE 11 9.396 0.962 -0.098
96 HA PHE 11 HA PHE 11 10.541 -1.468 -1.246
97 HB2 PHE 11 HB2 PHE 11 10.638 1.464 -1.926
98 HB3 PHE 11 HB3 PHE 11 11.493 0.237 -2.841
99 HD1 PHE 11 HD1 PHE 11 10.100 -1.828 -3.650
100 HD2 PHE 11 HD2 PHE 11 8.306 1.954 -2.546
101 HE1 PHE 11 HE1 PHE 11 8.219 -2.254 -5.205
102 HE2 PHE 11 HE2 PHE 11 6.533 1.580 -4.222
103 HZ PHE 11 HZ PHE 11 6.469 -0.544 -5.511
104 H ARG 12 H ARG 12 12.115 -2.334 -0.070
105 HA ARG 12 HA ARG 12 14.294 -1.048 1.190
106 HB2 ARG 12 HB2 ARG 12 15.503 -3.230 0.842
107 HB3 ARG 12 HB3 ARG 12 13.945 -3.310 1.627
108 HG2 ARG 12 HG2 ARG 12 13.545 -5.034 0.313
109 HG3 ARG 12 HG3 ARG 12 13.132 -3.874 -0.925
110 HD2 ARG 12 HD2 ARG 12 15.860 -5.191 -0.548
111 HD3 ARG 12 HD3 ARG 12 14.621 -5.747 -1.667
112 HE ARG 12 HE ARG 12 16.486 -3.561 -2.090
113 HH11 ARG 12 HH22 ARG 12 13.185 -4.448 -3.082
114 HH12 ARG 12 HH21 ARG 12 13.334 -3.303 -4.426
115 HH21 ARG 12 HH11 ARG 12 16.543 -2.460 -3.868
116 HH22 ARG 12 HH12 ARG 12 15.109 -2.357 -4.920
117 H SER 13 H SER 13 16.518 -0.911 0.508
118 HA SER 13 HA SER 13 18.130 0.079 -0.680
119 HB2 SER 13 HB2 SER 13 16.769 -0.574 -3.285
120 HB3 SER 13 HB3 SER 13 18.477 -0.271 -2.993
121 HG SER 13 HG SER 13 18.669 -2.221 -1.991
122 H ASN 14 H ASN 14 14.864 1.394 -1.073
123 HA ASN 14 HA ASN 14 16.331 3.945 -1.421
124 HB2 ASN 14 HB2 ASN 14 15.008 4.806 -3.186
125 HB3 ASN 14 HB3 ASN 14 15.684 3.267 -3.693
126 HD21 ASN 14 HD21 ASN 14 14.104 3.043 -5.347
127 H GLY 15 H GLY 15 13.441 2.391 -0.074
128 HA2 GLY 15 HA2 GLY 15 12.560 3.103 1.987
129 HA3 GLY 15 HA3 GLY 15 13.285 4.701 1.784
130 H THR 16 H THR 16 11.742 3.754 -1.081
131 HA THR 16 HA THR 16 9.524 5.595 -0.911
132 HB THR 16 HB THR 16 9.961 3.208 -2.739
133 HG1 THR 16 HG1 THR 16 11.605 4.463 -2.927
134 HG21 THR 16 HG21 THR 16 8.610 4.304 -4.396
135 HG22 THR 16 HG22 THR 16 7.634 3.978 -2.979
136 HG23 THR 16 HG23 THR 16 8.229 5.637 -3.268
137 H VAL 17 H VAL 17 7.187 4.830 -1.084
138 HA VAL 17 HA VAL 17 6.563 2.530 0.644
139 HB VAL 17 HB VAL 17 5.982 5.407 1.359
140 HG11 VAL 17 HG11 VAL 17 4.430 3.005 2.412
141 HG12 VAL 17 HG12 VAL 17 4.406 4.641 3.104
142 HG13 VAL 17 HG13 VAL 17 3.765 4.375 1.487
143 HG21 VAL 17 HG21 VAL 17 6.727 4.644 3.592
144 HG22 VAL 17 HG22 VAL 17 6.860 2.978 2.988
145 HG23 VAL 17 HG23 VAL 17 7.953 4.250 2.382
146 H TYR 18 H TYR 18 4.551 1.754 0.395
147 HA TYR 18 HA TYR 18 2.610 2.878 -1.452
148 HB2 TYR 18 HB2 TYR 18 2.750 1.168 -3.111
149 HB3 TYR 18 HB3 TYR 18 4.307 1.925 -2.988
150 HD1 TYR 18 HD1 TYR 18 6.040 0.624 -1.308
151 HD2 TYR 18 HD2 TYR 18 2.664 -1.132 -3.364
152 HE1 TYR 18 HE1 TYR 18 7.187 -1.563 -1.328
153 HE2 TYR 18 HE2 TYR 18 3.832 -3.316 -3.388
154 HH TYR 18 HH TYR 18 5.858 -4.386 -3.038
155 H TYR 19 H TYR 19 1.032 0.650 -1.905
156 HA TYR 19 HA TYR 19 0.714 -0.710 0.715
157 HB2 TYR 19 HB2 TYR 19 -1.142 1.102 -0.698
158 HB3 TYR 19 HB3 TYR 19 -1.857 -0.445 -0.377
159 HD1 TYR 19 HD1 TYR 19 -0.073 2.353 1.197
160 HD2 TYR 19 HD2 TYR 19 -2.407 -1.163 1.857
161 HE1 TYR 19 HE1 TYR 19 -0.690 3.206 3.464
162 HE2 TYR 19 HE2 TYR 19 -2.869 -0.444 4.205
163 HH TYR 19 HH TYR 19 -1.950 2.771 5.444
164 H PHE 20 H PHE 20 -0.249 -2.699 0.669
165 HA PHE 20 HA PHE 20 -0.305 -4.113 -1.949
166 HB2 PHE 20 HB2 PHE 20 1.786 -4.336 -0.657
167 HB3 PHE 20 HB3 PHE 20 0.892 -4.986 0.708
168 HD1 PHE 20 HD2 PHE 20 -0.227 -7.244 0.518
169 HD2 PHE 20 HD1 PHE 20 2.359 -5.689 -2.560
170 HE1 PHE 20 HE2 PHE 20 0.001 -9.529 -0.468
171 HE2 PHE 20 HE1 PHE 20 2.485 -7.954 -3.592
172 HZ PHE 20 HZ PHE 20 1.287 -9.865 -2.535
173 H ASN 21 H ASN 21 -2.110 -5.269 -2.246
174 HA ASN 21 HA ASN 21 -4.032 -5.543 -0.009
175 HB2 ASN 21 HB2 ASN 21 -4.817 -4.543 -2.194
176 HB3 ASN 21 HB3 ASN 21 -4.409 -6.066 -2.962
177 HD21 ASN 21 HD22 ASN 21 -6.796 -4.355 -1.023
178 HD22 ASN 21 HD21 ASN 21 -7.796 -5.771 -0.731
179 H HIS 22 H HIS 22 -3.299 -7.286 1.224
180 HA HIS 22 HA HIS 22 -2.070 -9.609 0.010
181 HB2 HIS 22 HB2 HIS 22 -1.908 -10.445 2.286
182 HB3 HIS 22 HB3 HIS 22 -1.365 -8.782 2.181
183 HD2 HIS 22 HD2 HIS 22 -2.083 -7.416 4.235
184 HE1 HIS 22 HE1 HIS 22 -5.762 -9.355 5.170
185 HE2 HIS 22 HE2 HIS 22 -4.130 -7.520 5.880
186 H ILE 23 H ILE 23 -5.324 -8.892 -0.082
187 HA ILE 23 HA ILE 23 -6.120 -11.761 0.168
188 HB ILE 23 HB ILE 23 -7.586 -9.130 0.215
189 HG12 ILE 23 HG12 ILE 23 -7.564 -11.671 1.924
190 HG13 ILE 23 HG13 ILE 23 -6.773 -10.152 2.308
191 HG21 ILE 23 HG21 ILE 23 -9.742 -10.215 0.051
192 HG22 ILE 23 HG22 ILE 23 -8.847 -10.397 -1.445
193 HG23 ILE 23 HG23 ILE 23 -8.960 -11.777 -0.321
194 HD11 ILE 23 HD11 ILE 23 -8.719 -10.270 3.661
195 HD12 ILE 23 HD12 ILE 23 -9.096 -9.087 2.395
196 HD13 ILE 23 HD13 ILE 23 -9.751 -10.735 2.301
197 H THR 24 H THR 24 -5.720 -9.158 -2.160
198 HA THR 24 HA THR 24 -6.462 -10.993 -4.410
199 HB THR 24 HB THR 24 -6.419 -8.947 -5.794
200 HG1 THR 24 HG1 THR 24 -6.059 -7.609 -3.333
201 HG21 THR 24 HG21 THR 24 -8.092 -8.535 -3.270
202 HG22 THR 24 HG22 THR 24 -8.350 -7.784 -4.856
203 HG23 THR 24 HG23 THR 24 -8.554 -9.539 -4.664
204 H ASN 25 H ASN 25 -3.686 -9.489 -2.967
205 HA ASN 25 HA ASN 25 -1.498 -9.641 -3.244
206 HB2 ASN 25 HB2 ASN 25 -1.815 -10.966 -5.956
207 HB3 ASN 25 HB3 ASN 25 -0.349 -10.831 -5.000
208 HD21 ASN 25 HD22 ASN 25 -3.435 -12.473 -5.271
209 HD22 ASN 25 HD21 ASN 25 -2.995 -13.799 -4.172
210 H ALA 26 H ALA 26 -3.571 -7.598 -4.602
211 HA ALA 26 HA ALA 26 -1.995 -6.433 -6.720
212 HB1 ALA 26 HB1 ALA 26 -4.150 -5.144 -4.992
213 HB2 ALA 26 HB2 ALA 26 -3.585 -4.596 -6.576
214 HB3 ALA 26 HB3 ALA 26 -4.464 -6.132 -6.438
215 H SER 27 H SER 27 -1.000 -4.233 -6.641
216 HA SER 27 HA SER 27 -0.235 -3.187 -4.000
217 HB2 SER 27 HB2 SER 27 2.090 -2.734 -4.950
218 HB3 SER 27 HB3 SER 27 1.730 -4.314 -4.256
219 HG SER 27 HG SER 27 1.405 -5.077 -6.395
220 H GLN 28 H GLN 28 -0.098 -1.004 -3.994
221 HA GLN 28 HA GLN 28 -0.142 0.520 -6.516
222 HB2 GLN 28 HB2 GLN 28 -2.502 -0.061 -6.227
223 HB3 GLN 28 HB3 GLN 28 -2.469 0.480 -4.547
224 HG2 GLN 28 HG2 GLN 28 -3.574 2.113 -6.036
225 HG3 GLN 28 HG3 GLN 28 -2.162 2.762 -5.209
226 HE21 GLN 28 HE22 GLN 28 -3.177 1.408 -8.442
227 HE22 GLN 28 HE21 GLN 28 -1.971 2.377 -9.274
228 H PHE 29 H PHE 29 0.562 2.635 -6.261
229 HA PHE 29 HA PHE 29 1.952 3.227 -3.710
230 HB2 PHE 29 HB2 PHE 29 2.058 4.563 -6.419
231 HB3 PHE 29 HB3 PHE 29 2.987 5.031 -5.007
232 HD1 PHE 29 HD2 PHE 29 2.855 1.317 -5.474
233 HD2 PHE 29 HD1 PHE 29 4.900 4.985 -6.565
234 HE1 PHE 29 HE2 PHE 29 4.604 0.034 -6.545
235 HE2 PHE 29 HE1 PHE 29 6.742 3.636 -7.525
236 HZ PHE 29 HZ PHE 29 6.588 1.163 -7.555
237 H GLU 30 H GLU 30 -0.582 4.612 -5.941
238 HA GLU 30 HA GLU 30 -1.206 6.656 -3.885
239 HB2 GLU 30 HB2 GLU 30 -2.331 5.887 -6.520
240 HB3 GLU 30 HB3 GLU 30 -3.296 6.895 -5.445
241 HG2 GLU 30 HG2 GLU 30 -0.521 7.622 -6.478
242 HG3 GLU 30 HG3 GLU 30 -2.052 8.332 -7.012
243 H ARG 31 H ARG 31 -1.316 5.377 -2.441
244 HA ARG 31 HA ARG 31 -2.935 3.169 -1.914
245 HB2 ARG 31 HB2 ARG 31 -2.056 3.058 0.179
246 HB3 ARG 31 HB3 ARG 31 -0.763 3.672 -0.832
247 HG2 ARG 31 HG2 ARG 31 -2.335 5.150 1.323
248 HG3 ARG 31 HG3 ARG 31 -0.694 4.586 1.407
249 HD2 ARG 31 HD2 ARG 31 -0.585 6.881 1.178
250 HD3 ARG 31 HD3 ARG 31 -0.041 6.187 -0.367
251 HE ARG 31 HE ARG 31 -2.903 6.810 -0.263
252 HH11 ARG 31 HH11 ARG 31 0.169 8.093 -1.388
253 HH12 ARG 31 HH12 ARG 31 -0.582 8.823 -2.801
254 HH21 ARG 31 HH21 ARG 31 -3.781 7.816 -1.880
255 HH22 ARG 31 HH22 ARG 31 -2.822 8.803 -2.999
256 HA PRO 32 HA PRO 32 -6.881 4.676 -0.427
257 HB2 PRO 32 HB2 PRO 32 -7.420 2.733 1.499
258 HB3 PRO 32 HB3 PRO 32 -7.807 2.665 -0.232
259 HG2 PRO 32 HG2 PRO 32 -5.577 1.239 1.184
260 HG3 PRO 32 HG3 PRO 32 -6.486 0.802 -0.234
261 HD2 PRO 32 HD2 PRO 32 -3.919 1.933 -0.156
262 HD3 PRO 32 HD3 PRO 32 -4.940 1.868 -1.608
263 H SER 33 H SER 33 -7.732 5.599 1.757
264 HA SER 33 HA SER 33 -5.999 7.375 2.755
265 HB2 SER 33 HB2 SER 33 -8.502 6.394 4.151
266 HB3 SER 33 HB3 SER 33 -7.770 8.010 4.252
267 HG SER 33 HG SER 33 -9.451 8.008 2.746
268 H GLY 34 H GLY 34 -4.077 5.881 3.396
269 HA2 GLY 34 HA2 GLY 34 -3.354 6.683 5.968
270 HA3 GLY 34 HA3 GLY 34 -3.969 5.043 6.179
271 H1 NAG 101 H1 NAG 35 11.454 2.135 -4.322
272 H2 NAG 101 H2 NAG 35 12.182 3.044 -7.151
273 H3 NAG 101 H3 NAG 35 9.601 1.802 -6.057
274 H4 NAG 101 H4 NAG 35 11.659 0.766 -8.084
275 H5 NAG 101 H5 NAG 35 10.987 -0.258 -5.300
276 H61 NAG 101 H61 NAG 35 11.756 -2.155 -6.583
277 H62 NAG 101 H62 NAG 35 13.026 -1.181 -7.356
278 H81 NAG 101 H2M NAG 35 10.095 7.237 -7.107
279 H82 NAG 101 H3M NAG 35 10.899 6.842 -5.572
280 H83 NAG 101 H1M NAG 35 9.182 6.437 -5.807
281 HN2 NAG 101 H2N NAG 35 10.886 4.450 -4.984
282 HO3 NAG 101 H3O NAG 35 9.933 3.420 -8.145
283 HO4 NAG 101 H4O NAG 35 9.318 0.358 -8.182
284 HO6 NAG 101 H6O NAG 35 13.484 -0.716 -4.954
Start of MODEL 3
1 H1 LYS 1 H1 LYS 1 -11.892 6.355 0.196
2 H2 LYS 1 H2 LYS 1 -11.627 4.814 0.700
3 H3 LYS 1 H3 LYS 1 -12.627 5.082 -0.559
4 HA LYS 1 HA LYS 1 -10.861 5.869 -1.935
5 HB2 LYS 1 HB2 LYS 1 -8.958 5.258 0.360
6 HB3 LYS 1 HB3 LYS 1 -8.561 5.765 -1.276
7 HG2 LYS 1 HG2 LYS 1 -9.811 7.928 -0.838
8 HG3 LYS 1 HG3 LYS 1 -10.005 7.397 0.842
9 HD2 LYS 1 HD2 LYS 1 -8.085 8.829 0.811
10 HD3 LYS 1 HD3 LYS 1 -7.476 7.174 0.980
11 HE2 LYS 1 HE2 LYS 1 -7.167 7.168 -1.576
12 HE3 LYS 1 HE3 LYS 1 -7.544 8.887 -1.559
13 HZ1 LYS 1 HZ1 LYS 1 -5.176 8.323 -1.543
14 HZ2 LYS 1 HZ2 LYS 1 -5.561 9.229 -0.211
15 HZ3 LYS 1 HZ3 LYS 1 -5.306 7.578 -0.112
16 H LEU 2 H LEU 2 -9.712 3.148 0.205
17 HA LEU 2 HA LEU 2 -10.445 1.313 -1.854
18 HB2 LEU 2 HB2 LEU 2 -7.597 0.862 -1.371
19 HB3 LEU 2 HB3 LEU 2 -8.611 0.345 -2.602
20 HG LEU 2 HG LEU 2 -8.887 2.466 -3.697
21 HD11 LEU 2 HD11 LEU 2 -7.617 4.319 -3.399
22 HD12 LEU 2 HD12 LEU 2 -7.585 3.756 -1.711
23 HD13 LEU 2 HD13 LEU 2 -6.224 3.435 -2.765
24 HD21 LEU 2 HD21 LEU 2 -6.859 2.172 -4.996
25 HD22 LEU 2 HD22 LEU 2 -6.132 1.199 -3.683
26 HD23 LEU 2 HD23 LEU 2 -7.559 0.624 -4.569
27 HA PRO 3 HA PRO 3 -11.473 -1.450 1.110
28 HB2 PRO 3 HB2 PRO 3 -9.797 -3.576 -0.261
29 HB3 PRO 3 HB3 PRO 3 -11.528 -3.674 0.187
30 HG2 PRO 3 HG2 PRO 3 -10.874 -3.211 -2.350
31 HG3 PRO 3 HG3 PRO 3 -12.104 -2.124 -1.594
32 HD2 PRO 3 HD2 PRO 3 -9.095 -1.683 -1.763
33 HD3 PRO 3 HD3 PRO 3 -10.356 -0.608 -2.362
34 HA PRO 4 HA PRO 4 -8.735 -2.917 4.394
35 HB2 PRO 4 HB2 PRO 4 -10.168 -5.122 5.266
36 HB3 PRO 4 HB3 PRO 4 -10.557 -3.432 5.714
37 HG2 PRO 4 HG2 PRO 4 -11.788 -5.113 3.517
38 HG3 PRO 4 HG3 PRO 4 -12.621 -4.084 4.728
39 HD2 PRO 4 HD2 PRO 4 -12.182 -3.200 2.233
40 HD3 PRO 4 HD3 PRO 4 -11.961 -2.094 3.615
41 H GLY 5 H GLY 5 -7.045 -4.410 4.367
42 HA2 GLY 5 HA2 GLY 5 -6.070 -6.551 3.435
43 HA3 GLY 5 HA3 GLY 5 -6.943 -6.187 1.969
44 H TRP 6 H TRP 6 -6.445 -3.127 1.790
45 HA TRP 6 HA TRP 6 -3.694 -3.284 0.905
46 HB2 TRP 6 HB2 TRP 6 -5.544 -0.981 1.469
47 HB3 TRP 6 HB3 TRP 6 -3.971 -0.839 0.744
48 HD1 TRP 6 HD1 TRP 6 -7.434 -1.273 -0.234
49 HE1 TRP 6 HE1 TRP 6 -7.531 -1.215 -2.754
50 HE3 TRP 6 HE3 TRP 6 -2.513 -1.808 -1.204
51 HZ2 TRP 6 HZ2 TRP 6 -5.734 -1.701 -5.007
52 HZ3 TRP 6 HZ3 TRP 6 -1.703 -1.817 -3.488
53 HH2 TRP 6 HH2 TRP 6 -3.278 -1.848 -5.444
54 H GLU 7 H GLU 7 -1.881 -2.821 1.858
55 HA GLU 7 HA GLU 7 -1.759 -1.604 4.581
56 HB2 GLU 7 HB2 GLU 7 -2.032 -4.164 4.464
57 HB3 GLU 7 HB3 GLU 7 -0.416 -4.201 3.753
58 HG2 GLU 7 HG2 GLU 7 0.470 -3.121 5.833
59 HG3 GLU 7 HG3 GLU 7 -1.169 -3.092 6.495
60 H LYS 8 H LYS 8 0.197 -0.517 5.050
61 HA LYS 8 HA LYS 8 1.663 0.574 2.924
62 HB2 LYS 8 HB2 LYS 8 1.368 1.650 5.063
63 HB3 LYS 8 HB3 LYS 8 2.369 0.467 5.894
64 HG2 LYS 8 HG2 LYS 8 3.544 2.013 3.569
65 HG3 LYS 8 HG3 LYS 8 3.235 2.884 5.065
66 HD2 LYS 8 HD2 LYS 8 4.673 1.412 6.348
67 HD3 LYS 8 HD3 LYS 8 4.964 0.375 4.936
68 HE2 LYS 8 HE2 LYS 8 6.004 2.216 3.727
69 HE3 LYS 8 HE3 LYS 8 5.643 3.343 5.041
70 HZ1 LYS 8 HZ1 LYS 8 7.943 2.545 5.115
71 HZ2 LYS 8 HZ2 LYS 8 7.123 2.098 6.468
72 HZ3 LYS 8 HZ3 LYS 8 7.435 0.996 5.292
73 H ARG 9 H ARG 9 3.524 0.189 1.913
74 HA ARG 9 HA ARG 9 5.192 -2.159 2.689
75 HB2 ARG 9 HB2 ARG 9 3.119 -2.417 0.887
76 HB3 ARG 9 HB3 ARG 9 4.375 -1.838 -0.181
77 HG2 ARG 9 HG2 ARG 9 4.593 -4.110 -0.377
78 HG3 ARG 9 HG3 ARG 9 5.814 -3.788 0.825
79 HD2 ARG 9 HD2 ARG 9 3.209 -5.260 1.078
80 HD3 ARG 9 HD3 ARG 9 4.789 -5.687 1.693
81 HE ARG 9 HE ARG 9 3.939 -3.420 3.173
82 HH11 ARG 9 HH21 ARG 9 2.373 -6.648 2.883
83 HH12 ARG 9 HH22 ARG 9 1.643 -6.281 4.475
84 HH21 ARG 9 HH11 ARG 9 3.001 -3.349 5.051
85 HH22 ARG 9 HH12 ARG 9 2.026 -4.762 5.573
86 H MET 10 H MET 10 7.327 -2.154 1.763
87 HA MET 10 HA MET 10 8.192 0.546 0.876
88 HB2 MET 10 HB2 MET 10 8.251 0.113 3.428
89 HB3 MET 10 HB3 MET 10 9.619 -0.954 3.080
90 HG2 MET 10 HG2 MET 10 10.767 0.988 1.964
91 HG3 MET 10 HG3 MET 10 9.375 1.982 2.302
92 HE1 MET 10 HE1 MET 10 11.536 -0.598 4.478
93 HE2 MET 10 HE2 MET 10 12.647 0.498 3.620
94 HE3 MET 10 HE3 MET 10 12.495 0.589 5.389
95 H PHE 11 H PHE 11 9.844 0.644 -0.518
96 HA PHE 11 HA PHE 11 10.748 -1.757 -1.861
97 HB2 PHE 11 HB2 PHE 11 11.245 1.190 -2.132
98 HB3 PHE 11 HB3 PHE 11 12.107 0.006 -3.095
99 HD1 PHE 11 HD1 PHE 11 10.994 -1.468 -4.686
100 HD2 PHE 11 HD2 PHE 11 8.757 1.617 -2.618
101 HE1 PHE 11 HE1 PHE 11 9.138 -1.719 -6.302
102 HE2 PHE 11 HE2 PHE 11 6.920 1.322 -4.223
103 HZ PHE 11 HZ PHE 11 7.090 -0.349 -6.058
104 H ARG 12 H ARG 12 12.194 -3.021 -1.021
105 HA ARG 12 HA ARG 12 14.211 -2.475 0.865
106 HB2 ARG 12 HB2 ARG 12 14.228 -4.553 -1.376
107 HB3 ARG 12 HB3 ARG 12 15.209 -4.562 0.078
108 HG2 ARG 12 HG2 ARG 12 13.674 -5.960 0.868
109 HG3 ARG 12 HG3 ARG 12 12.755 -4.520 1.271
110 HD2 ARG 12 HD2 ARG 12 12.445 -5.949 -1.408
111 HD3 ARG 12 HD3 ARG 12 11.641 -6.547 0.042
112 HE ARG 12 HE ARG 12 10.715 -4.037 0.103
113 HH11 ARG 12 HH12 ARG 12 10.738 -6.321 -2.584
114 HH12 ARG 12 HH11 ARG 12 9.228 -5.699 -3.203
115 HH21 ARG 12 HH21 ARG 12 8.949 -3.318 -0.711
116 HH22 ARG 12 HH22 ARG 12 8.129 -4.009 -2.110
117 H SER 13 H SER 13 16.385 -2.029 0.678
118 HA SER 13 HA SER 13 18.225 -0.999 -0.009
119 HB2 SER 13 HB2 SER 13 17.584 -2.088 -2.760
120 HB3 SER 13 HB3 SER 13 19.164 -1.554 -2.161
121 HG SER 13 HG SER 13 18.916 -3.810 -1.970
122 H ASN 14 H ASN 14 15.327 0.455 -1.049
123 HA ASN 14 HA ASN 14 17.033 2.842 -1.469
124 HB2 ASN 14 HB2 ASN 14 16.064 3.642 -3.403
125 HB3 ASN 14 HB3 ASN 14 16.389 1.949 -3.726
126 HD21 ASN 14 HD21 ASN 14 14.824 1.791 -5.484
127 H GLY 15 H GLY 15 13.887 1.645 -0.326
128 HA2 GLY 15 HA2 GLY 15 13.030 2.454 1.720
129 HA3 GLY 15 HA3 GLY 15 13.910 3.969 1.530
130 H THR 16 H THR 16 12.434 3.308 -1.403
131 HA THR 16 HA THR 16 10.340 5.261 -1.276
132 HB THR 16 HB THR 16 10.592 2.844 -3.101
133 HG1 THR 16 HG1 THR 16 12.376 3.952 -3.249
134 HG21 THR 16 HG21 THR 16 9.078 5.408 -3.630
135 HG22 THR 16 HG22 THR 16 9.395 4.089 -4.790
136 HG23 THR 16 HG23 THR 16 8.368 3.787 -3.399
137 H VAL 17 H VAL 17 7.958 4.726 -1.459
138 HA VAL 17 HA VAL 17 7.149 2.505 0.311
139 HB VAL 17 HB VAL 17 6.723 5.452 0.865
140 HG11 VAL 17 HG11 VAL 17 5.028 3.173 1.974
141 HG12 VAL 17 HG12 VAL 17 5.099 4.818 2.651
142 HG13 VAL 17 HG13 VAL 17 4.459 4.570 1.032
143 HG21 VAL 17 HG21 VAL 17 8.624 4.274 1.960
144 HG22 VAL 17 HG22 VAL 17 7.400 4.742 3.147
145 HG23 VAL 17 HG23 VAL 17 7.484 3.053 2.577
146 H TYR 18 H TYR 18 5.084 1.857 0.047
147 HA TYR 18 HA TYR 18 3.206 3.112 -1.759
148 HB2 TYR 18 HB2 TYR 18 3.126 1.349 -3.379
149 HB3 TYR 18 HB3 TYR 18 4.735 2.017 -3.344
150 HD1 TYR 18 HD2 TYR 18 6.455 0.631 -1.676
151 HD2 TYR 18 HD1 TYR 18 2.969 -0.890 -3.701
152 HE1 TYR 18 HE2 TYR 18 7.490 -1.572 -1.759
153 HE2 TYR 18 HE1 TYR 18 3.979 -3.170 -3.704
154 HH TYR 18 HH TYR 18 5.836 -4.381 -3.267
155 H TYR 19 H TYR 19 1.435 0.925 -2.129
156 HA TYR 19 HA TYR 19 1.062 -0.237 0.548
157 HB2 TYR 19 HB2 TYR 19 -0.787 1.603 -0.918
158 HB3 TYR 19 HB3 TYR 19 -1.499 0.130 -0.300
159 HD1 TYR 19 HD1 TYR 19 0.820 2.847 0.903
160 HD2 TYR 19 HD2 TYR 19 -2.392 0.157 1.858
161 HE1 TYR 19 HE1 TYR 19 0.757 3.722 3.242
162 HE2 TYR 19 HE2 TYR 19 -2.576 1.126 4.110
163 HH TYR 19 HH TYR 19 -1.748 2.696 5.567
164 H PHE 20 H PHE 20 0.148 -2.222 0.518
165 HA PHE 20 HA PHE 20 -0.016 -3.644 -2.105
166 HB2 PHE 20 HB2 PHE 20 2.163 -3.858 -0.952
167 HB3 PHE 20 HB3 PHE 20 1.334 -4.450 0.490
168 HD1 PHE 20 HD2 PHE 20 0.368 -6.744 0.533
169 HD2 PHE 20 HD1 PHE 20 2.478 -5.241 -2.905
170 HE1 PHE 20 HE2 PHE 20 0.528 -9.057 -0.392
171 HE2 PHE 20 HE1 PHE 20 2.543 -7.538 -3.870
172 HZ PHE 20 HZ PHE 20 1.572 -9.440 -2.603
173 H ASN 21 H ASN 21 -1.784 -4.915 -2.295
174 HA ASN 21 HA ASN 21 -3.608 -5.098 0.025
175 HB2 ASN 21 HB2 ASN 21 -4.459 -4.267 -2.206
176 HB3 ASN 21 HB3 ASN 21 -4.126 -5.852 -2.847
177 HD21 ASN 21 HD22 ASN 21 -6.408 -3.925 -0.990
178 HD22 ASN 21 HD21 ASN 21 -7.436 -5.287 -0.578
179 H HIS 22 H HIS 22 -2.681 -6.708 1.338
180 HA HIS 22 HA HIS 22 -1.632 -9.140 0.099
181 HB2 HIS 22 HB2 HIS 22 -1.286 -9.910 2.404
182 HB3 HIS 22 HB3 HIS 22 -0.588 -8.339 2.080
183 HD2 HIS 22 HD2 HIS 22 -1.064 -6.494 3.757
184 HE1 HIS 22 HE1 HIS 22 -4.113 -8.406 6.025
185 HE2 HIS 22 HE2 HIS 22 -2.371 -6.488 5.995
186 H ILE 23 H ILE 23 -4.791 -8.268 0.340
187 HA ILE 23 HA ILE 23 -5.810 -10.994 0.917
188 HB ILE 23 HB ILE 23 -6.899 -8.192 0.749
189 HG12 ILE 23 HG12 ILE 23 -6.956 -10.474 2.776
190 HG13 ILE 23 HG13 ILE 23 -6.059 -8.964 2.885
191 HG21 ILE 23 HG21 ILE 23 -9.177 -8.896 0.894
192 HG22 ILE 23 HG22 ILE 23 -8.472 -9.426 -0.628
193 HG23 ILE 23 HG23 ILE 23 -8.708 -10.612 0.686
194 HD11 ILE 23 HD11 ILE 23 -7.883 -8.798 4.399
195 HD12 ILE 23 HD12 ILE 23 -8.326 -7.772 3.021
196 HD13 ILE 23 HD13 ILE 23 -9.050 -9.382 3.204
197 H THR 24 H THR 24 -5.194 -8.816 -1.711
198 HA THR 24 HA THR 24 -6.232 -10.823 -3.710
199 HB THR 24 HB THR 24 -6.355 -8.925 -5.291
200 HG1 THR 24 HG1 THR 24 -5.803 -7.367 -3.007
201 HG21 THR 24 HG21 THR 24 -8.372 -9.430 -3.911
202 HG22 THR 24 HG22 THR 24 -7.818 -8.257 -2.696
203 HG23 THR 24 HG23 THR 24 -8.230 -7.710 -4.332
204 H ASN 25 H ASN 25 -3.406 -9.147 -2.694
205 HA ASN 25 HA ASN 25 -1.230 -9.335 -3.114
206 HB2 ASN 25 HB2 ASN 25 -1.745 -10.815 -5.720
207 HB3 ASN 25 HB3 ASN 25 -0.206 -10.593 -4.911
208 HD21 ASN 25 HD22 ASN 25 -3.263 -12.307 -4.798
209 HD22 ASN 25 HD21 ASN 25 -2.683 -13.558 -3.674
210 H ALA 26 H ALA 26 -3.395 -7.369 -4.514
211 HA ALA 26 HA ALA 26 -1.882 -6.243 -6.683
212 HB1 ALA 26 HB1 ALA 26 -4.336 -5.946 -6.304
213 HB2 ALA 26 HB2 ALA 26 -3.967 -4.901 -4.913
214 HB3 ALA 26 HB3 ALA 26 -3.480 -4.412 -6.543
215 H SER 27 H SER 27 -0.961 -4.000 -6.749
216 HA SER 27 HA SER 27 0.016 -2.850 -4.203
217 HB2 SER 27 HB2 SER 27 2.209 -2.357 -5.306
218 HB3 SER 27 HB3 SER 27 1.963 -4.001 -4.754
219 HG SER 27 HG SER 27 1.446 -3.119 -7.418
220 H GLN 28 H GLN 28 0.063 -0.661 -4.212
221 HA GLN 28 HA GLN 28 -0.104 0.907 -6.703
222 HB2 GLN 28 HB2 GLN 28 -2.456 0.252 -6.099
223 HB3 GLN 28 HB3 GLN 28 -2.221 0.972 -4.500
224 HG2 GLN 28 HG2 GLN 28 -1.825 3.190 -5.664
225 HG3 GLN 28 HG3 GLN 28 -2.223 2.400 -7.196
226 HE21 GLN 28 HE22 GLN 28 -3.508 3.271 -3.907
227 HE22 GLN 28 HE21 GLN 28 -5.178 3.231 -4.501
228 H PHE 29 H PHE 29 0.801 3.035 -6.325
229 HA PHE 29 HA PHE 29 2.154 3.337 -3.735
230 HB2 PHE 29 HB2 PHE 29 2.212 4.958 -6.273
231 HB3 PHE 29 HB3 PHE 29 3.054 5.404 -4.802
232 HD1 PHE 29 HD2 PHE 29 3.074 1.713 -5.706
233 HD2 PHE 29 HD1 PHE 29 5.156 5.522 -5.959
234 HE1 PHE 29 HE2 PHE 29 5.018 0.607 -6.622
235 HE2 PHE 29 HE1 PHE 29 7.136 4.346 -6.834
236 HZ PHE 29 HZ PHE 29 7.072 1.897 -7.209
237 H GLU 30 H GLU 30 -0.736 4.719 -5.271
238 HA GLU 30 HA GLU 30 -1.082 6.772 -3.257
239 HB2 GLU 30 HB2 GLU 30 -2.205 6.320 -5.669
240 HB3 GLU 30 HB3 GLU 30 -3.496 5.694 -4.656
241 HG2 GLU 30 HG2 GLU 30 -2.210 8.460 -4.428
242 HG3 GLU 30 HG3 GLU 30 -3.688 8.114 -5.322
243 H ARG 31 H ARG 31 -2.356 6.718 -1.549
244 HA ARG 31 HA ARG 31 -2.189 4.174 -0.016
245 HB2 ARG 31 HB2 ARG 31 -0.921 6.250 0.588
246 HB3 ARG 31 HB3 ARG 31 -2.437 7.051 0.950
247 HG2 ARG 31 HG2 ARG 31 -2.360 4.502 2.368
248 HG3 ARG 31 HG3 ARG 31 -0.809 5.309 2.543
249 HD2 ARG 31 HD2 ARG 31 -2.306 5.805 4.404
250 HD3 ARG 31 HD3 ARG 31 -1.709 7.227 3.565
251 HE ARG 31 HE ARG 31 -4.458 6.042 3.253
252 HH11 ARG 31 HH11 ARG 31 -2.423 8.881 3.023
253 HH12 ARG 31 HH12 ARG 31 -3.749 10.006 2.945
254 HH21 ARG 31 HH21 ARG 31 -6.192 7.582 3.340
255 HH22 ARG 31 HH22 ARG 31 -5.820 9.261 3.113
256 HA PRO 32 HA PRO 32 -6.804 4.096 0.269
257 HB2 PRO 32 HB2 PRO 32 -6.037 1.603 1.742
258 HB3 PRO 32 HB3 PRO 32 -7.421 1.885 0.636
259 HG2 PRO 32 HG2 PRO 32 -5.443 0.649 -0.373
260 HG3 PRO 32 HG3 PRO 32 -5.930 1.965 -1.277
261 HD2 PRO 32 HD2 PRO 32 -3.617 2.047 0.678
262 HD3 PRO 32 HD3 PRO 32 -3.659 2.599 -1.027
263 H SER 33 H SER 33 -8.203 3.903 2.303
264 HA SER 33 HA SER 33 -7.447 3.616 4.947
265 HB2 SER 33 HB2 SER 33 -7.563 5.935 5.832
266 HB3 SER 33 HB3 SER 33 -6.117 5.727 4.841
267 HG SER 33 HG SER 33 -8.618 6.702 3.977
268 H GLY 34 H GLY 34 -9.361 2.432 4.049
269 HA2 GLY 34 HA2 GLY 34 -11.674 2.142 3.907
270 HA3 GLY 34 HA3 GLY 34 -11.921 3.807 4.505
271 H1 NAG 101 H1 NAG 35 12.014 2.020 -4.596
272 H2 NAG 101 H2 NAG 35 13.311 2.708 -7.243
273 H3 NAG 101 H3 NAG 35 10.568 1.461 -6.795
274 H4 NAG 101 H4 NAG 35 12.814 0.740 -8.750
275 H5 NAG 101 H5 NAG 35 12.540 -1.312 -6.796
276 H61 NAG 101 H61 NAG 35 14.901 -1.105 -6.426
277 H62 NAG 101 H62 NAG 35 14.567 -0.908 -8.148
278 H81 NAG 101 H2M NAG 35 12.031 6.539 -5.802
279 H82 NAG 101 H3M NAG 35 10.334 6.167 -6.188
280 H83 NAG 101 H1M NAG 35 11.357 6.996 -7.382
281 HN2 NAG 101 H2N NAG 35 11.671 4.068 -5.319
282 HO3 NAG 101 H3O NAG 35 11.295 3.315 -8.637
283 HO4 NAG 101 H4O NAG 35 10.541 0.193 -8.976
284 HO6 NAG 101 H6O NAG 35 15.978 0.715 -7.563
Start of MODEL 4
1 H1 LYS 1 H1 LYS 1 -7.115 5.175 -2.107
2 H2 LYS 1 H2 LYS 1 -7.483 4.835 -0.520
3 H3 LYS 1 H3 LYS 1 -7.601 6.344 -1.106
4 HA LYS 1 HA LYS 1 -9.764 5.134 -0.787
5 HB2 LYS 1 HB2 LYS 1 -9.148 6.303 -3.522
6 HB3 LYS 1 HB3 LYS 1 -10.747 6.123 -2.805
7 HG2 LYS 1 HG2 LYS 1 -10.219 7.684 -1.029
8 HG3 LYS 1 HG3 LYS 1 -8.560 7.887 -1.596
9 HD2 LYS 1 HD2 LYS 1 -10.831 8.477 -3.512
10 HD3 LYS 1 HD3 LYS 1 -10.487 9.604 -2.212
11 HE2 LYS 1 HE2 LYS 1 -9.356 10.341 -4.200
12 HE3 LYS 1 HE3 LYS 1 -8.183 9.906 -2.954
13 HZ1 LYS 1 HZ1 LYS 1 -7.697 7.880 -4.095
14 HZ2 LYS 1 HZ2 LYS 1 -8.919 8.103 -5.187
15 HZ3 LYS 1 HZ3 LYS 1 -7.594 9.086 -5.185
16 H LEU 2 H LEU 2 -8.781 2.721 -0.777
17 HA LEU 2 HA LEU 2 -10.129 1.299 -2.846
18 HB2 LEU 2 HB2 LEU 2 -7.408 0.161 -2.329
19 HB3 LEU 2 HB3 LEU 2 -8.519 -0.296 -3.425
20 HG LEU 2 HG LEU 2 -6.768 0.400 -4.636
21 HD11 LEU 2 HD11 LEU 2 -8.102 1.482 -6.347
22 HD12 LEU 2 HD12 LEU 2 -9.023 0.238 -5.487
23 HD13 LEU 2 HD13 LEU 2 -9.311 1.953 -5.133
24 HD21 LEU 2 HD21 LEU 2 -6.430 2.769 -5.283
25 HD22 LEU 2 HD22 LEU 2 -7.253 3.261 -3.804
26 HD23 LEU 2 HD23 LEU 2 -5.744 2.322 -3.738
27 HA PRO 3 HA PRO 3 -11.705 -1.231 0.261
28 HB2 PRO 3 HB2 PRO 3 -10.248 -3.565 -1.011
29 HB3 PRO 3 HB3 PRO 3 -11.984 -3.522 -0.501
30 HG2 PRO 3 HG2 PRO 3 -11.409 -3.218 -3.073
31 HG3 PRO 3 HG3 PRO 3 -12.455 -1.946 -2.326
32 HD2 PRO 3 HD2 PRO 3 -9.409 -1.924 -2.620
33 HD3 PRO 3 HD3 PRO 3 -10.555 -0.690 -3.196
34 HA PRO 4 HA PRO 4 -9.336 -3.029 3.707
35 HB2 PRO 4 HB2 PRO 4 -11.490 -5.155 3.617
36 HB3 PRO 4 HB3 PRO 4 -10.842 -4.274 5.037
37 HG2 PRO 4 HG2 PRO 4 -13.236 -3.577 3.977
38 HG3 PRO 4 HG3 PRO 4 -12.068 -2.304 4.462
39 HD2 PRO 4 HD2 PRO 4 -12.621 -3.395 1.698
40 HD3 PRO 4 HD3 PRO 4 -12.412 -1.696 2.228
41 H GLY 5 H GLY 5 -7.708 -4.643 3.753
42 HA2 GLY 5 HA2 GLY 5 -6.803 -6.836 2.866
43 HA3 GLY 5 HA3 GLY 5 -7.569 -6.422 1.347
44 H TRP 6 H TRP 6 -6.962 -3.477 1.262
45 HA TRP 6 HA TRP 6 -4.143 -3.594 0.553
46 HB2 TRP 6 HB2 TRP 6 -6.181 -1.404 0.816
47 HB3 TRP 6 HB3 TRP 6 -4.555 -1.158 0.233
48 HD1 TRP 6 HD1 TRP 6 -7.899 -2.102 -1.108
49 HE1 TRP 6 HE1 TRP 6 -7.701 -2.230 -3.586
50 HE3 TRP 6 HE3 TRP 6 -2.856 -1.993 -1.482
51 HZ2 TRP 6 HZ2 TRP 6 -5.594 -2.772 -5.575
52 HZ3 TRP 6 HZ3 TRP 6 -1.782 -2.162 -3.646
53 HH2 TRP 6 HH2 TRP 6 -3.102 -2.679 -5.725
54 H GLU 7 H GLU 7 -2.429 -2.902 1.613
55 HA GLU 7 HA GLU 7 -2.648 -1.579 4.285
56 HB2 GLU 7 HB2 GLU 7 -2.672 -4.085 4.411
57 HB3 GLU 7 HB3 GLU 7 -1.116 -4.107 3.574
58 HG2 GLU 7 HG2 GLU 7 -0.102 -2.855 5.486
59 HG3 GLU 7 HG3 GLU 7 -1.676 -2.868 6.304
60 H LYS 8 H LYS 8 -0.789 -0.301 4.847
61 HA LYS 8 HA LYS 8 0.754 0.714 2.688
62 HB2 LYS 8 HB2 LYS 8 0.170 1.895 4.843
63 HB3 LYS 8 HB3 LYS 8 1.454 0.988 5.639
64 HG2 LYS 8 HG2 LYS 8 3.108 1.985 4.083
65 HG3 LYS 8 HG3 LYS 8 1.836 2.813 3.204
66 HD2 LYS 8 HD2 LYS 8 2.195 3.347 6.178
67 HD3 LYS 8 HD3 LYS 8 3.300 4.041 5.002
68 HE2 LYS 8 HE2 LYS 8 1.769 5.742 5.266
69 HE3 LYS 8 HE3 LYS 8 1.287 4.979 3.754
70 HZ1 LYS 8 HZ1 LYS 8 -0.640 5.435 5.080
71 HZ2 LYS 8 HZ2 LYS 8 -0.500 3.831 5.032
72 HZ3 LYS 8 HZ3 LYS 8 -0.030 4.641 6.395
73 H ARG 9 H ARG 9 2.870 0.540 2.109
74 HA ARG 9 HA ARG 9 4.480 -1.718 3.168
75 HB2 ARG 9 HB2 ARG 9 2.661 -2.391 1.384
76 HB3 ARG 9 HB3 ARG 9 3.664 -1.532 0.233
77 HG2 ARG 9 HG2 ARG 9 4.158 -3.863 0.081
78 HG3 ARG 9 HG3 ARG 9 5.549 -3.096 0.813
79 HD2 ARG 9 HD2 ARG 9 5.261 -5.052 2.060
80 HD3 ARG 9 HD3 ARG 9 4.620 -3.808 3.111
81 HE ARG 9 HE ARG 9 3.058 -5.821 1.545
82 HH11 ARG 9 HH11 ARG 9 2.584 -3.328 4.157
83 HH12 ARG 9 HH12 ARG 9 1.562 -4.516 4.957
84 HH21 ARG 9 HH21 ARG 9 1.528 -7.000 2.836
85 HH22 ARG 9 HH22 ARG 9 0.946 -6.134 4.280
86 H MET 10 H MET 10 6.709 -1.763 2.268
87 HA MET 10 HA MET 10 7.588 0.866 1.212
88 HB2 MET 10 HB2 MET 10 7.701 0.724 3.754
89 HB3 MET 10 HB3 MET 10 8.907 -0.555 3.547
90 HG2 MET 10 HG2 MET 10 10.237 1.109 2.135
91 HG3 MET 10 HG3 MET 10 9.091 2.340 2.618
92 HE1 MET 10 HE1 MET 10 8.477 2.082 5.599
93 HE2 MET 10 HE2 MET 10 9.822 2.988 6.326
94 HE3 MET 10 HE3 MET 10 9.065 3.579 4.831
95 H PHE 11 H PHE 11 9.375 0.841 -0.079
96 HA PHE 11 HA PHE 11 10.109 -1.738 -1.214
97 HB2 PHE 11 HB2 PHE 11 10.541 1.146 -1.941
98 HB3 PHE 11 HB3 PHE 11 11.287 -0.170 -2.845
99 HD1 PHE 11 HD2 PHE 11 9.659 -2.136 -3.570
100 HD2 PHE 11 HD1 PHE 11 8.351 1.871 -2.598
101 HE1 PHE 11 HE2 PHE 11 7.678 -2.416 -5.041
102 HE2 PHE 11 HE1 PHE 11 6.493 1.638 -4.209
103 HZ PHE 11 HZ PHE 11 6.126 -0.522 -5.384
104 H ARG 12 H ARG 12 11.613 -2.879 -0.456
105 HA ARG 12 HA ARG 12 13.900 -2.476 1.004
106 HB2 ARG 12 HB2 ARG 12 13.213 -4.635 0.565
107 HB3 ARG 12 HB3 ARG 12 13.004 -4.390 -1.148
108 HG2 ARG 12 HG2 ARG 12 15.769 -4.448 0.109
109 HG3 ARG 12 HG3 ARG 12 14.899 -5.920 -0.297
110 HD2 ARG 12 HD2 ARG 12 15.767 -3.794 -2.299
111 HD3 ARG 12 HD3 ARG 12 16.483 -5.361 -2.041
112 HE ARG 12 HE ARG 12 14.647 -6.435 -3.048
113 HH11 ARG 12 HH21 ARG 12 14.101 -2.917 -3.213
114 HH12 ARG 12 HH22 ARG 12 13.031 -3.086 -4.584
115 HH21 ARG 12 HH12 ARG 12 13.226 -6.528 -4.780
116 HH22 ARG 12 HH11 ARG 12 12.554 -5.042 -5.391
117 H SER 13 H SER 13 15.868 -1.656 0.749
118 HA SER 13 HA SER 13 17.648 -0.596 0.004
119 HB2 SER 13 HB2 SER 13 17.105 -1.862 -2.689
120 HB3 SER 13 HB3 SER 13 18.641 -1.202 -2.101
121 HG SER 13 HG SER 13 18.762 -3.321 -1.651
122 H ASN 14 H ASN 14 14.719 0.673 -1.059
123 HA ASN 14 HA ASN 14 16.299 3.105 -1.691
124 HB2 ASN 14 HB2 ASN 14 15.103 3.775 -3.562
125 HB3 ASN 14 HB3 ASN 14 15.533 2.096 -3.852
126 HD21 ASN 14 HD21 ASN 14 13.848 2.501 -5.539
127 H GLY 15 H GLY 15 13.455 1.772 -0.094
128 HA2 GLY 15 HA2 GLY 15 12.561 2.688 1.839
129 HA3 GLY 15 HA3 GLY 15 13.484 4.177 1.593
130 H THR 16 H THR 16 11.790 3.288 -1.255
131 HA THR 16 HA THR 16 9.814 5.431 -1.023
132 HB THR 16 HB THR 16 10.116 3.098 -2.947
133 HG1 THR 16 HG1 THR 16 11.641 4.924 -2.706
134 HG21 THR 16 HG21 THR 16 8.300 5.530 -3.227
135 HG22 THR 16 HG22 THR 16 8.655 4.340 -4.499
136 HG23 THR 16 HG23 THR 16 7.761 3.841 -3.075
137 H VAL 17 H VAL 17 7.422 4.869 -1.225
138 HA VAL 17 HA VAL 17 6.609 2.699 0.585
139 HB VAL 17 HB VAL 17 6.209 5.645 1.138
140 HG11 VAL 17 HG11 VAL 17 3.926 4.764 1.272
141 HG12 VAL 17 HG12 VAL 17 4.486 3.401 2.274
142 HG13 VAL 17 HG13 VAL 17 4.555 5.066 2.889
143 HG21 VAL 17 HG21 VAL 17 6.901 3.253 2.903
144 HG22 VAL 17 HG22 VAL 17 8.084 4.420 2.251
145 HG23 VAL 17 HG23 VAL 17 6.868 4.955 3.419
146 H TYR 18 H TYR 18 4.521 2.079 0.298
147 HA TYR 18 HA TYR 18 2.761 3.203 -1.736
148 HB2 TYR 18 HB2 TYR 18 2.984 1.499 -3.350
149 HB3 TYR 18 HB3 TYR 18 4.571 2.118 -3.069
150 HD1 TYR 18 HD1 TYR 18 5.979 0.699 -1.177
151 HD2 TYR 18 HD2 TYR 18 2.773 -0.759 -3.667
152 HE1 TYR 18 HE1 TYR 18 6.904 -1.577 -1.003
153 HE2 TYR 18 HE2 TYR 18 3.705 -3.087 -3.448
154 HH TYR 18 HH TYR 18 6.741 -3.739 -1.731
155 H TYR 19 H TYR 19 1.199 0.881 -2.227
156 HA TYR 19 HA TYR 19 0.576 -0.221 0.427
157 HB2 TYR 19 HB2 TYR 19 -1.180 1.424 -1.341
158 HB3 TYR 19 HB3 TYR 19 -1.882 -0.056 -0.736
159 HD1 TYR 19 HD1 TYR 19 0.026 2.926 0.524
160 HD2 TYR 19 HD2 TYR 19 -2.957 -0.070 1.326
161 HE1 TYR 19 HE1 TYR 19 -0.402 3.920 2.761
162 HE2 TYR 19 HE2 TYR 19 -3.468 0.990 3.510
163 HH TYR 19 HH TYR 19 -3.126 3.031 4.736
164 H PHE 20 H PHE 20 -0.301 -2.221 0.386
165 HA PHE 20 HA PHE 20 -0.123 -3.787 -2.146
166 HB2 PHE 20 HB2 PHE 20 1.943 -3.792 -0.812
167 HB3 PHE 20 HB3 PHE 20 1.063 -4.372 0.595
168 HD1 PHE 20 HD2 PHE 20 0.208 -6.710 0.677
169 HD2 PHE 20 HD1 PHE 20 2.505 -5.267 -2.669
170 HE1 PHE 20 HE2 PHE 20 0.624 -9.061 -0.066
171 HE2 PHE 20 HE1 PHE 20 2.838 -7.606 -3.448
172 HZ PHE 20 HZ PHE 20 1.905 -9.497 -2.136
173 H ASN 21 H ASN 21 -1.785 -5.109 -2.438
174 HA ASN 21 HA ASN 21 -3.806 -5.382 -0.293
175 HB2 ASN 21 HB2 ASN 21 -4.455 -4.768 -2.667
176 HB3 ASN 21 HB3 ASN 21 -3.917 -6.351 -3.150
177 HD21 ASN 21 HD22 ASN 21 -6.548 -4.522 -1.721
178 HD22 ASN 21 HD21 ASN 21 -7.516 -5.943 -1.366
179 H HIS 22 H HIS 22 -2.917 -6.857 1.218
180 HA HIS 22 HA HIS 22 -1.579 -9.261 0.197
181 HB2 HIS 22 HB2 HIS 22 -1.371 -9.908 2.557
182 HB3 HIS 22 HB3 HIS 22 -0.714 -8.333 2.183
183 HD2 HIS 22 HD2 HIS 22 -1.376 -6.392 3.672
184 HE1 HIS 22 HE1 HIS 22 -4.322 -8.362 6.019
185 HE2 HIS 22 HE2 HIS 22 -2.701 -6.348 5.897
186 H ILE 23 H ILE 23 -4.787 -8.610 0.098
187 HA ILE 23 HA ILE 23 -5.660 -11.375 0.716
188 HB ILE 23 HB ILE 23 -6.956 -8.709 0.156
189 HG12 ILE 23 HG12 ILE 23 -7.101 -10.809 2.364
190 HG13 ILE 23 HG13 ILE 23 -6.363 -9.213 2.447
191 HG21 ILE 23 HG21 ILE 23 -8.184 -10.221 -1.304
192 HG22 ILE 23 HG22 ILE 23 -8.481 -11.319 0.070
193 HG23 ILE 23 HG23 ILE 23 -9.157 -9.662 0.052
194 HD11 ILE 23 HD11 ILE 23 -9.320 -9.901 2.394
195 HD12 ILE 23 HD12 ILE 23 -8.396 -9.082 3.662
196 HD13 ILE 23 HD13 ILE 23 -8.728 -8.249 2.128
197 H THR 24 H THR 24 -4.863 -9.312 -1.972
198 HA THR 24 HA THR 24 -5.463 -11.520 -3.934
199 HB THR 24 HB THR 24 -5.576 -9.734 -5.641
200 HG1 THR 24 HG1 THR 24 -5.459 -8.006 -3.413
201 HG21 THR 24 HG21 THR 24 -7.658 -8.675 -4.989
202 HG22 THR 24 HG22 THR 24 -7.685 -10.369 -4.450
203 HG23 THR 24 HG23 THR 24 -7.389 -9.060 -3.280
204 H ASN 25 H ASN 25 -2.946 -9.502 -2.748
205 HA ASN 25 HA ASN 25 -0.723 -9.466 -2.932
206 HB2 ASN 25 HB2 ASN 25 -0.806 -11.177 -5.443
207 HB3 ASN 25 HB3 ASN 25 0.617 -10.693 -4.538
208 HD21 ASN 25 HD22 ASN 25 -2.210 -12.763 -4.502
209 HD22 ASN 25 HD21 ASN 25 -1.605 -13.814 -3.202
210 H ALA 26 H ALA 26 -2.919 -7.864 -4.680
211 HA ALA 26 HA ALA 26 -1.347 -6.661 -6.752
212 HB1 ALA 26 HB1 ALA 26 -3.705 -5.481 -5.232
213 HB2 ALA 26 HB2 ALA 26 -3.139 -5.022 -6.846
214 HB3 ALA 26 HB3 ALA 26 -3.846 -6.627 -6.586
215 H SER 27 H SER 27 -0.729 -4.294 -6.850
216 HA SER 27 HA SER 27 0.041 -3.014 -4.292
217 HB2 SER 27 HB2 SER 27 2.190 -2.313 -5.352
218 HB3 SER 27 HB3 SER 27 2.081 -3.972 -4.767
219 HG SER 27 HG SER 27 1.845 -4.673 -6.878
220 H GLN 28 H GLN 28 -0.008 -0.800 -4.354
221 HA GLN 28 HA GLN 28 -0.257 0.711 -6.856
222 HB2 GLN 28 HB2 GLN 28 -2.399 0.685 -4.665
223 HB3 GLN 28 HB3 GLN 28 -2.157 2.074 -5.714
224 HG2 GLN 28 HG2 GLN 28 -2.971 -0.691 -6.658
225 HG3 GLN 28 HG3 GLN 28 -4.014 0.714 -6.502
226 HE21 GLN 28 HE22 GLN 28 -1.439 -0.808 -8.419
227 HE22 GLN 28 HE21 GLN 28 -1.625 0.330 -9.770
228 H PHE 29 H PHE 29 0.366 2.968 -6.500
229 HA PHE 29 HA PHE 29 1.835 3.358 -3.949
230 HB2 PHE 29 HB2 PHE 29 1.850 4.871 -6.550
231 HB3 PHE 29 HB3 PHE 29 2.626 5.440 -5.083
232 HD1 PHE 29 HD2 PHE 29 2.857 1.716 -5.807
233 HD2 PHE 29 HD1 PHE 29 4.762 5.605 -6.180
234 HE1 PHE 29 HE2 PHE 29 4.850 0.672 -6.682
235 HE2 PHE 29 HE1 PHE 29 6.829 4.480 -6.934
236 HZ PHE 29 HZ PHE 29 6.876 2.015 -7.217
237 H GLU 30 H GLU 30 -1.251 4.221 -5.321
238 HA GLU 30 HA GLU 30 -1.712 6.502 -3.583
239 HB2 GLU 30 HB2 GLU 30 -2.975 5.979 -5.689
240 HB3 GLU 30 HB3 GLU 30 -3.785 4.668 -4.843
241 HG2 GLU 30 HG2 GLU 30 -3.822 7.411 -3.570
242 HG3 GLU 30 HG3 GLU 30 -4.690 7.237 -5.083
243 H ARG 31 H ARG 31 -2.955 6.453 -1.674
244 HA ARG 31 HA ARG 31 -2.523 4.055 0.014
245 HB2 ARG 31 HB2 ARG 31 -3.183 6.951 0.660
246 HB3 ARG 31 HB3 ARG 31 -2.979 5.679 1.869
247 HG2 ARG 31 HG2 ARG 31 -0.708 5.669 1.704
248 HG3 ARG 31 HG3 ARG 31 -0.683 5.937 -0.027
249 HD2 ARG 31 HD2 ARG 31 0.342 7.756 1.224
250 HD3 ARG 31 HD3 ARG 31 -1.063 8.300 0.285
251 HE ARG 31 HE ARG 31 -1.733 7.621 3.067
252 HH11 ARG 31 HH21 ARG 31 -0.296 10.211 1.187
253 HH12 ARG 31 HH22 ARG 31 -0.949 11.459 2.225
254 HH21 ARG 31 HH11 ARG 31 -2.726 9.168 4.125
255 HH22 ARG 31 HH12 ARG 31 -2.295 10.878 3.980
256 HA PRO 32 HA PRO 32 -6.990 3.073 -0.573
257 HB2 PRO 32 HB2 PRO 32 -5.645 0.947 1.089
258 HB3 PRO 32 HB3 PRO 32 -7.229 0.824 0.238
259 HG2 PRO 32 HG2 PRO 32 -5.391 0.196 -1.386
260 HG3 PRO 32 HG3 PRO 32 -6.187 1.627 -1.822
261 HD2 PRO 32 HD2 PRO 32 -3.570 1.778 -0.407
262 HD3 PRO 32 HD3 PRO 32 -4.155 2.588 -1.893
263 H SER 33 H SER 33 -5.508 2.704 2.634
264 HA SER 33 HA SER 33 -7.103 4.907 3.700
265 HB2 SER 33 HB2 SER 33 -8.559 2.940 4.105
266 HB3 SER 33 HB3 SER 33 -7.227 2.146 4.982
267 HG SER 33 HG SER 33 -8.655 3.310 6.376
268 H GLY 34 H GLY 34 -5.652 6.128 4.738
269 HA2 GLY 34 HA2 GLY 34 -4.031 6.380 6.570
270 HA3 GLY 34 HA3 GLY 34 -3.180 4.958 5.956
271 H1 NAG 101 H1 NAG 35 11.114 1.924 -4.499
272 H2 NAG 101 H2 NAG 35 12.024 2.817 -7.291
273 H3 NAG 101 H3 NAG 35 9.217 2.133 -6.292
274 H4 NAG 101 H4 NAG 35 11.013 0.665 -8.297
275 H5 NAG 101 H5 NAG 35 10.074 -0.095 -5.512
276 H61 NAG 101 H61 NAG 35 10.303 -2.224 -6.550
277 H62 NAG 101 H62 NAG 35 11.640 -1.662 -7.581
278 H81 NAG 101 H2M NAG 35 11.574 6.772 -5.615
279 H82 NAG 101 H3M NAG 35 9.803 6.600 -5.633
280 H83 NAG 101 H1M NAG 35 10.641 7.330 -7.020
281 HN2 NAG 101 H2N NAG 35 11.008 4.341 -5.051
282 HO3 NAG 101 H3O NAG 35 9.936 3.697 -8.293
283 HO4 NAG 101 H4O NAG 35 8.660 0.796 -8.486
284 HO6 NAG 101 H6O NAG 35 12.526 -1.082 -5.369
Start of MODEL 5
1 H1 LYS 1 H1 LYS 1 -8.048 6.658 0.271
2 H2 LYS 1 H2 LYS 1 -7.216 5.284 -0.014
3 H3 LYS 1 H3 LYS 1 -8.540 5.294 1.005
4 HA LYS 1 HA LYS 1 -10.043 5.829 -0.700
5 HB2 LYS 1 HB2 LYS 1 -7.548 5.969 -2.364
6 HB3 LYS 1 HB3 LYS 1 -9.099 5.571 -3.137
7 HG2 LYS 1 HG2 LYS 1 -10.125 7.589 -2.521
8 HG3 LYS 1 HG3 LYS 1 -9.030 7.868 -1.195
9 HD2 LYS 1 HD2 LYS 1 -7.227 8.071 -3.225
10 HD3 LYS 1 HD3 LYS 1 -8.699 8.514 -4.095
11 HE2 LYS 1 HE2 LYS 1 -7.769 10.545 -3.239
12 HE3 LYS 1 HE3 LYS 1 -9.178 10.188 -2.222
13 HZ1 LYS 1 HZ1 LYS 1 -6.361 9.524 -1.565
14 HZ2 LYS 1 HZ2 LYS 1 -7.185 10.801 -0.911
15 HZ3 LYS 1 HZ3 LYS 1 -7.614 9.244 -0.549
16 H LEU 2 H LEU 2 -7.502 3.312 -1.555
17 HA LEU 2 HA LEU 2 -9.569 1.565 -2.275
18 HB2 LEU 2 HB2 LEU 2 -6.937 0.328 -1.684
19 HB3 LEU 2 HB3 LEU 2 -8.064 -0.030 -2.838
20 HG LEU 2 HG LEU 2 -6.157 0.663 -3.943
21 HD11 LEU 2 HD11 LEU 2 -7.387 1.950 -5.604
22 HD12 LEU 2 HD12 LEU 2 -8.404 0.704 -4.854
23 HD13 LEU 2 HD13 LEU 2 -8.597 2.405 -4.373
24 HD21 LEU 2 HD21 LEU 2 -6.607 3.554 -3.101
25 HD22 LEU 2 HD22 LEU 2 -5.186 2.534 -2.709
26 HD23 LEU 2 HD23 LEU 2 -5.554 2.962 -4.363
27 HA PRO 3 HA PRO 3 -11.118 -0.641 1.123
28 HB2 PRO 3 HB2 PRO 3 -10.174 -3.173 -0.242
29 HB3 PRO 3 HB3 PRO 3 -11.841 -2.799 0.318
30 HG2 PRO 3 HG2 PRO 3 -11.282 -2.672 -2.267
31 HG3 PRO 3 HG3 PRO 3 -12.119 -1.249 -1.528
32 HD2 PRO 3 HD2 PRO 3 -9.108 -1.644 -1.914
33 HD3 PRO 3 HD3 PRO 3 -10.145 -0.317 -2.498
34 HA PRO 4 HA PRO 4 -8.781 -3.003 4.257
35 HB2 PRO 4 HB2 PRO 4 -11.160 -4.871 4.137
36 HB3 PRO 4 HB3 PRO 4 -10.326 -4.207 5.581
37 HG2 PRO 4 HG2 PRO 4 -12.677 -3.141 4.774
38 HG3 PRO 4 HG3 PRO 4 -11.330 -2.055 5.255
39 HD2 PRO 4 HD2 PRO 4 -12.206 -2.856 2.477
40 HD3 PRO 4 HD3 PRO 4 -11.767 -1.235 3.098
41 H GLY 5 H GLY 5 -7.335 -4.742 4.099
42 HA2 GLY 5 HA2 GLY 5 -6.668 -6.932 3.041
43 HA3 GLY 5 HA3 GLY 5 -7.466 -6.362 1.581
44 H TRP 6 H TRP 6 -6.561 -3.460 1.746
45 HA TRP 6 HA TRP 6 -3.792 -3.782 0.873
46 HB2 TRP 6 HB2 TRP 6 -5.592 -1.474 1.444
47 HB3 TRP 6 HB3 TRP 6 -3.973 -1.328 0.806
48 HD1 TRP 6 HD1 TRP 6 -7.489 -1.906 -0.490
49 HE1 TRP 6 HE1 TRP 6 -7.441 -1.981 -2.924
50 HE3 TRP 6 HE3 TRP 6 -2.478 -2.022 -1.088
51 HZ2 TRP 6 HZ2 TRP 6 -5.455 -2.233 -5.081
52 HZ3 TRP 6 HZ3 TRP 6 -1.531 -1.970 -3.298
53 HH2 TRP 6 HH2 TRP 6 -2.974 -2.122 -5.368
54 H GLU 7 H GLU 7 -1.927 -3.255 1.957
55 HA GLU 7 HA GLU 7 -2.072 -1.786 4.505
56 HB2 GLU 7 HB2 GLU 7 -1.426 -3.350 5.875
57 HB3 GLU 7 HB3 GLU 7 -1.853 -4.520 4.666
58 HG2 GLU 7 HG2 GLU 7 0.929 -3.425 5.271
59 HG3 GLU 7 HG3 GLU 7 0.295 -4.982 5.725
60 H LYS 8 H LYS 8 0.170 -1.012 5.225
61 HA LYS 8 HA LYS 8 1.352 0.300 2.930
62 HB2 LYS 8 HB2 LYS 8 0.964 1.363 5.111
63 HB3 LYS 8 HB3 LYS 8 2.211 0.374 5.858
64 HG2 LYS 8 HG2 LYS 8 3.161 1.793 3.432
65 HG3 LYS 8 HG3 LYS 8 2.437 2.895 4.582
66 HD2 LYS 8 HD2 LYS 8 4.765 2.862 5.023
67 HD3 LYS 8 HD3 LYS 8 3.963 2.040 6.367
68 HE2 LYS 8 HE2 LYS 8 4.571 -0.156 5.386
69 HE3 LYS 8 HE3 LYS 8 5.314 0.662 4.000
70 HZ1 LYS 8 HZ1 LYS 8 6.951 0.022 5.676
71 HZ2 LYS 8 HZ2 LYS 8 6.911 1.659 5.520
72 HZ3 LYS 8 HZ3 LYS 8 6.200 0.934 6.814
73 H ARG 9 H ARG 9 3.183 -0.042 1.942
74 HA ARG 9 HA ARG 9 4.916 -2.331 2.763
75 HB2 ARG 9 HB2 ARG 9 3.080 -2.846 1.029
76 HB3 ARG 9 HB3 ARG 9 3.955 -1.805 -0.079
77 HG2 ARG 9 HG2 ARG 9 4.493 -4.125 -0.519
78 HG3 ARG 9 HG3 ARG 9 5.927 -3.317 0.082
79 HD2 ARG 9 HD2 ARG 9 5.838 -5.477 1.090
80 HD3 ARG 9 HD3 ARG 9 5.514 -4.310 2.351
81 HE ARG 9 HE ARG 9 3.131 -4.901 2.311
82 HH11 ARG 9 HH21 ARG 9 5.008 -7.072 0.293
83 HH12 ARG 9 HH22 ARG 9 3.843 -8.361 0.468
84 HH21 ARG 9 HH12 ARG 9 1.697 -6.560 2.503
85 HH22 ARG 9 HH11 ARG 9 2.058 -8.089 1.747
86 H MET 10 H MET 10 7.118 -2.290 1.749
87 HA MET 10 HA MET 10 7.996 0.464 1.085
88 HB2 MET 10 HB2 MET 10 8.066 -0.138 3.591
89 HB3 MET 10 HB3 MET 10 9.387 -1.233 3.172
90 HG2 MET 10 HG2 MET 10 10.658 0.712 2.271
91 HG3 MET 10 HG3 MET 10 9.317 1.771 2.623
92 HE1 MET 10 HE1 MET 10 10.583 3.469 4.031
93 HE2 MET 10 HE2 MET 10 11.654 3.063 5.392
94 HE3 MET 10 HE3 MET 10 12.107 2.600 3.740
95 H PHE 11 H PHE 11 9.757 0.636 -0.242
96 HA PHE 11 HA PHE 11 10.533 -1.790 -1.674
97 HB2 PHE 11 HB2 PHE 11 10.950 1.166 -2.061
98 HB3 PHE 11 HB3 PHE 11 11.687 -0.041 -3.114
99 HD1 PHE 11 HD1 PHE 11 10.064 -1.864 -4.113
100 HD2 PHE 11 HD2 PHE 11 8.763 1.965 -2.582
101 HE1 PHE 11 HE1 PHE 11 8.053 -1.949 -5.573
102 HE2 PHE 11 HE2 PHE 11 6.869 1.944 -4.169
103 HZ PHE 11 HZ PHE 11 6.493 -0.031 -5.630
104 H ARG 12 H ARG 12 12.034 -3.004 -0.796
105 HA ARG 12 HA ARG 12 14.327 -2.413 0.652
106 HB2 ARG 12 HB2 ARG 12 15.283 -4.490 -0.366
107 HB3 ARG 12 HB3 ARG 12 13.650 -4.663 0.252
108 HG2 ARG 12 HG2 ARG 12 13.543 -5.865 -1.713
109 HG3 ARG 12 HG3 ARG 12 12.834 -4.337 -2.183
110 HD2 ARG 12 HD2 ARG 12 15.373 -3.826 -2.977
111 HD3 ARG 12 HD3 ARG 12 15.483 -5.569 -2.933
112 HE ARG 12 HE ARG 12 14.149 -5.695 -4.828
113 HH11 ARG 12 HH11 ARG 12 13.898 -2.322 -3.648
114 HH12 ARG 12 HH12 ARG 12 12.924 -1.920 -5.066
115 HH21 ARG 12 HH21 ARG 12 12.980 -4.849 -6.652
116 HH22 ARG 12 HH22 ARG 12 12.577 -3.136 -6.601
117 H SER 13 H SER 13 16.497 -1.955 0.159
118 HA SER 13 HA SER 13 18.203 -0.885 -0.784
119 HB2 SER 13 HB2 SER 13 17.107 -1.682 -3.488
120 HB3 SER 13 HB3 SER 13 18.783 -1.313 -3.049
121 HG SER 13 HG SER 13 18.564 -3.516 -3.031
122 H ASN 14 H ASN 14 15.110 0.564 -1.416
123 HA ASN 14 HA ASN 14 16.701 3.049 -1.756
124 HB2 ASN 14 HB2 ASN 14 15.460 3.977 -3.485
125 HB3 ASN 14 HB3 ASN 14 15.863 2.351 -4.013
126 HD21 ASN 14 HD21 ASN 14 14.135 3.044 -5.580
127 H GLY 15 H GLY 15 13.913 1.538 -0.279
128 HA2 GLY 15 HA2 GLY 15 13.021 2.116 1.737
129 HA3 GLY 15 HA3 GLY 15 13.942 3.619 1.781
130 H THR 16 H THR 16 12.199 3.188 -1.165
131 HA THR 16 HA THR 16 10.263 5.298 -0.580
132 HB THR 16 HB THR 16 10.524 3.265 -2.822
133 HG1 THR 16 HG1 THR 16 12.032 5.060 -2.304
134 HG21 THR 16 HG21 THR 16 8.675 5.687 -2.715
135 HG22 THR 16 HG22 THR 16 9.050 4.737 -4.166
136 HG23 THR 16 HG23 THR 16 8.169 3.984 -2.848
137 H VAL 17 H VAL 17 7.854 4.775 -0.872
138 HA VAL 17 HA VAL 17 7.063 2.389 0.667
139 HB VAL 17 HB VAL 17 6.632 5.256 1.501
140 HG11 VAL 17 HG11 VAL 17 4.775 2.974 2.271
141 HG12 VAL 17 HG12 VAL 17 4.852 4.560 3.073
142 HG13 VAL 17 HG13 VAL 17 4.323 4.457 1.398
143 HG21 VAL 17 HG21 VAL 17 7.143 2.661 3.021
144 HG22 VAL 17 HG22 VAL 17 8.393 3.857 2.576
145 HG23 VAL 17 HG23 VAL 17 7.124 4.298 3.726
146 H TYR 18 H TYR 18 4.995 1.768 0.294
147 HA TYR 18 HA TYR 18 3.161 3.101 -1.501
148 HB2 TYR 18 HB2 TYR 18 3.161 1.489 -3.244
149 HB3 TYR 18 HB3 TYR 18 4.774 2.120 -3.103
150 HD1 TYR 18 HD1 TYR 18 6.383 0.597 -1.451
151 HD2 TYR 18 HD2 TYR 18 2.947 -0.741 -3.701
152 HE1 TYR 18 HE1 TYR 18 7.358 -1.658 -1.568
153 HE2 TYR 18 HE2 TYR 18 3.937 -3.055 -3.770
154 HH TYR 18 HH TYR 18 7.158 -3.758 -2.453
155 H TYR 19 H TYR 19 1.567 0.744 -2.043
156 HA TYR 19 HA TYR 19 1.106 -0.446 0.604
157 HB2 TYR 19 HB2 TYR 19 -0.763 1.303 -0.993
158 HB3 TYR 19 HB3 TYR 19 -1.423 -0.109 -0.202
159 HD1 TYR 19 HD1 TYR 19 0.618 2.983 0.569
160 HD2 TYR 19 HD2 TYR 19 -2.034 -0.086 2.033
161 HE1 TYR 19 HE1 TYR 19 0.500 4.128 2.752
162 HE2 TYR 19 HE2 TYR 19 -2.260 1.130 4.182
163 HH TYR 19 HH TYR 19 -0.472 4.162 4.836
164 H PHE 20 H PHE 20 0.102 -2.437 0.506
165 HA PHE 20 HA PHE 20 0.031 -3.799 -2.150
166 HB2 PHE 20 HB2 PHE 20 2.153 -4.124 -0.942
167 HB3 PHE 20 HB3 PHE 20 1.285 -4.757 0.447
168 HD1 PHE 20 HD1 PHE 20 0.158 -7.001 0.339
169 HD2 PHE 20 HD2 PHE 20 2.508 -5.466 -2.942
170 HE1 PHE 20 HE1 PHE 20 0.348 -9.294 -0.630
171 HE2 PHE 20 HE2 PHE 20 2.583 -7.744 -3.942
172 HZ PHE 20 HZ PHE 20 1.490 -9.658 -2.749
173 H ASN 21 H ASN 21 -1.698 -5.098 -2.423
174 HA ASN 21 HA ASN 21 -3.614 -5.409 -0.190
175 HB2 ASN 21 HB2 ASN 21 -4.312 -4.690 -2.535
176 HB3 ASN 21 HB3 ASN 21 -3.982 -6.339 -3.027
177 HD21 ASN 21 HD22 ASN 21 -6.427 -4.281 -1.742
178 HD22 ASN 21 HD21 ASN 21 -7.432 -5.593 -1.139
179 H HIS 22 H HIS 22 -2.874 -6.937 1.242
180 HA HIS 22 HA HIS 22 -1.512 -9.336 0.255
181 HB2 HIS 22 HB2 HIS 22 -1.410 -9.978 2.601
182 HB3 HIS 22 HB3 HIS 22 -0.861 -8.330 2.367
183 HD2 HIS 22 HD2 HIS 22 -1.942 -6.495 3.771
184 HE1 HIS 22 HE1 HIS 22 -5.281 -8.641 5.334
185 HE2 HIS 22 HE2 HIS 22 -3.991 -6.424 5.426
186 H ILE 23 H ILE 23 -4.790 -8.526 0.378
187 HA ILE 23 HA ILE 23 -5.721 -11.314 0.632
188 HB ILE 23 HB ILE 23 -7.053 -8.610 0.362
189 HG12 ILE 23 HG12 ILE 23 -7.111 -10.840 2.431
190 HG13 ILE 23 HG13 ILE 23 -6.307 -9.281 2.570
191 HG21 ILE 23 HG21 ILE 23 -8.321 -10.065 -1.137
192 HG22 ILE 23 HG22 ILE 23 -8.498 -11.264 0.171
193 HG23 ILE 23 HG23 ILE 23 -9.236 -9.641 0.303
194 HD11 ILE 23 HD11 ILE 23 -9.289 -9.832 2.623
195 HD12 ILE 23 HD12 ILE 23 -8.271 -9.117 3.882
196 HD13 ILE 23 HD13 ILE 23 -8.632 -8.195 2.410
197 H THR 24 H THR 24 -5.199 -8.905 -1.986
198 HA THR 24 HA THR 24 -5.939 -11.026 -3.972
199 HB THR 24 HB THR 24 -6.246 -9.301 -5.572
200 HG1 THR 24 HG1 THR 24 -6.002 -7.122 -4.957
201 HG21 THR 24 HG21 THR 24 -8.132 -9.677 -3.974
202 HG22 THR 24 HG22 THR 24 -7.537 -8.319 -2.995
203 HG23 THR 24 HG23 THR 24 -8.100 -8.041 -4.657
204 H ASN 25 H ASN 25 -3.207 -9.287 -2.903
205 HA ASN 25 HA ASN 25 -1.012 -9.462 -3.284
206 HB2 ASN 25 HB2 ASN 25 -1.464 -10.906 -5.919
207 HB3 ASN 25 HB3 ASN 25 0.057 -10.675 -5.078
208 HD21 ASN 25 HD22 ASN 25 -2.993 -12.413 -5.027
209 HD22 ASN 25 HD21 ASN 25 -2.428 -13.659 -3.890
210 H ALA 26 H ALA 26 -3.168 -7.519 -4.740
211 HA ALA 26 HA ALA 26 -1.617 -6.305 -6.834
212 HB1 ALA 26 HB1 ALA 26 -4.077 -6.090 -6.568
213 HB2 ALA 26 HB2 ALA 26 -3.822 -5.116 -5.098
214 HB3 ALA 26 HB3 ALA 26 -3.283 -4.509 -6.674
215 H SER 27 H SER 27 -0.817 -4.001 -6.826
216 HA SER 27 HA SER 27 0.149 -2.932 -4.230
217 HB2 SER 27 HB2 SER 27 2.272 -2.275 -5.352
218 HB3 SER 27 HB3 SER 27 2.106 -3.984 -4.979
219 HG SER 27 HG SER 27 1.454 -2.827 -7.507
220 H GLN 28 H GLN 28 0.099 -0.703 -4.108
221 HA GLN 28 HA GLN 28 -0.204 0.992 -6.488
222 HB2 GLN 28 HB2 GLN 28 -2.511 0.331 -6.084
223 HB3 GLN 28 HB3 GLN 28 -2.358 0.629 -4.356
224 HG2 GLN 28 HG2 GLN 28 -3.685 2.331 -5.606
225 HG3 GLN 28 HG3 GLN 28 -2.371 2.980 -4.635
226 HE21 GLN 28 HE22 GLN 28 -3.028 1.945 -8.100
227 HE22 GLN 28 HE21 GLN 28 -2.040 3.262 -8.711
228 H PHE 29 H PHE 29 0.300 3.286 -5.882
229 HA PHE 29 HA PHE 29 1.956 3.363 -3.411
230 HB2 PHE 29 HB2 PHE 29 1.887 5.098 -5.873
231 HB3 PHE 29 HB3 PHE 29 2.756 5.513 -4.407
232 HD1 PHE 29 HD1 PHE 29 2.786 1.894 -5.640
233 HD2 PHE 29 HD2 PHE 29 4.898 5.689 -5.440
234 HE1 PHE 29 HE1 PHE 29 4.710 0.893 -6.701
235 HE2 PHE 29 HE2 PHE 29 6.870 4.603 -6.449
236 HZ PHE 29 HZ PHE 29 6.775 2.214 -7.116
237 H GLU 30 H GLU 30 -0.976 4.868 -4.849
238 HA GLU 30 HA GLU 30 -1.299 6.720 -2.644
239 HB2 GLU 30 HB2 GLU 30 -2.488 7.205 -4.640
240 HB3 GLU 30 HB3 GLU 30 -3.200 5.597 -4.699
241 HG2 GLU 30 HG2 GLU 30 -4.852 7.282 -4.108
242 HG3 GLU 30 HG3 GLU 30 -4.679 6.075 -2.852
243 H ARG 31 H ARG 31 -2.618 6.549 -0.855
244 HA ARG 31 HA ARG 31 -2.351 3.909 0.399
245 HB2 ARG 31 HB2 ARG 31 -3.269 6.287 1.947
246 HB3 ARG 31 HB3 ARG 31 -2.327 4.934 2.450
247 HG2 ARG 31 HG2 ARG 31 -0.411 6.058 2.164
248 HG3 ARG 31 HG3 ARG 31 -0.707 6.306 0.474
249 HD2 ARG 31 HD2 ARG 31 -1.417 8.107 2.795
250 HD3 ARG 31 HD3 ARG 31 -0.379 8.453 1.417
251 HE ARG 31 HE ARG 31 -2.424 8.521 -0.041
252 HH11 ARG 31 HH11 ARG 31 -3.217 8.700 3.454
253 HH12 ARG 31 HH12 ARG 31 -4.919 8.944 2.975
254 HH21 ARG 31 HH21 ARG 31 -4.567 8.917 -0.336
255 HH22 ARG 31 HH22 ARG 31 -5.571 9.026 1.156
256 HA PRO 32 HA PRO 32 -6.776 3.050 0.431
257 HB2 PRO 32 HB2 PRO 32 -5.438 0.856 2.057
258 HB3 PRO 32 HB3 PRO 32 -6.966 0.744 1.159
259 HG2 PRO 32 HG2 PRO 32 -5.065 0.183 -0.424
260 HG3 PRO 32 HG3 PRO 32 -5.756 1.684 -0.870
261 HD2 PRO 32 HD2 PRO 32 -3.457 1.585 1.038
262 HD3 PRO 32 HD3 PRO 32 -3.488 2.293 -0.609
263 H SER 33 H SER 33 -8.459 2.703 2.036
264 HA SER 33 HA SER 33 -9.767 3.405 3.673
265 HB2 SER 33 HB2 SER 33 -9.101 4.319 5.777
266 HB3 SER 33 HB3 SER 33 -8.105 2.908 5.399
267 HG SER 33 HG SER 33 -6.518 4.451 4.589
268 H GLY 34 H GLY 34 -7.682 6.181 4.076
269 HA2 GLY 34 HA2 GLY 34 -9.595 7.887 2.472
270 HA3 GLY 34 HA3 GLY 34 -8.678 8.434 3.872
271 H1 NAG 101 H1 NAG 35 11.408 2.389 -4.570
272 H2 NAG 101 H2 NAG 35 12.261 3.708 -7.209
273 H3 NAG 101 H3 NAG 35 9.459 3.034 -6.177
274 H4 NAG 101 H4 NAG 35 11.056 1.834 -8.498
275 H5 NAG 101 H5 NAG 35 10.227 0.634 -5.828
276 H61 NAG 101 H61 NAG 35 10.305 -1.325 -7.108
277 H62 NAG 101 H62 NAG 35 11.363 -0.588 -8.332
278 H81 NAG 101 H2M NAG 35 12.094 7.348 -4.856
279 H82 NAG 101 H3M NAG 35 10.316 7.272 -4.855
280 H83 NAG 101 H1M NAG 35 11.167 8.185 -6.119
281 HN2 NAG 101 H2N NAG 35 11.420 4.890 -4.700
282 HO3 NAG 101 H3O NAG 35 10.198 4.866 -7.933
283 HO4 NAG 101 H4O NAG 35 8.720 2.120 -8.532
284 HO6 NAG 101 H6O NAG 35 12.798 -0.356 -6.400
Start of MODEL 6
1 H1 LYS 1 H1 LYS 1 -10.769 0.262 8.026
2 H2 LYS 1 H2 LYS 1 -11.654 1.627 7.772
3 H3 LYS 1 H3 LYS 1 -10.873 1.405 9.199
4 HA LYS 1 HA LYS 1 -9.715 3.007 7.869
5 HB2 LYS 1 HB2 LYS 1 -8.402 1.608 9.414
6 HB3 LYS 1 HB3 LYS 1 -8.204 0.390 8.160
7 HG2 LYS 1 HG2 LYS 1 -6.181 1.614 8.263
8 HG3 LYS 1 HG3 LYS 1 -6.956 2.097 6.762
9 HD2 LYS 1 HD2 LYS 1 -7.683 4.241 7.829
10 HD3 LYS 1 HD3 LYS 1 -6.967 3.694 9.356
11 HE2 LYS 1 HE2 LYS 1 -5.261 5.039 8.489
12 HE3 LYS 1 HE3 LYS 1 -4.762 3.407 8.033
13 HZ1 LYS 1 HZ1 LYS 1 -6.061 4.037 5.835
14 HZ2 LYS 1 HZ2 LYS 1 -5.815 5.557 6.308
15 HZ3 LYS 1 HZ3 LYS 1 -4.519 4.610 6.043
16 H LEU 2 H LEU 2 -9.417 -0.232 6.108
17 HA LEU 2 HA LEU 2 -9.427 1.251 3.574
18 HB2 LEU 2 HB2 LEU 2 -7.326 -0.077 2.986
19 HB3 LEU 2 HB3 LEU 2 -7.180 1.335 4.004
20 HG LEU 2 HG LEU 2 -6.910 -0.080 6.008
21 HD11 LEU 2 HD11 LEU 2 -6.407 -2.492 5.745
22 HD12 LEU 2 HD12 LEU 2 -8.101 -2.117 5.462
23 HD13 LEU 2 HD13 LEU 2 -7.024 -2.428 4.087
24 HD21 LEU 2 HD21 LEU 2 -4.996 0.754 4.803
25 HD22 LEU 2 HD22 LEU 2 -4.654 -0.880 5.405
26 HD23 LEU 2 HD23 LEU 2 -5.034 -0.624 3.690
27 HA PRO 3 HA PRO 3 -11.631 -2.218 2.102
28 HB2 PRO 3 HB2 PRO 3 -9.950 -2.563 -0.338
29 HB3 PRO 3 HB3 PRO 3 -11.678 -2.161 -0.205
30 HG2 PRO 3 HG2 PRO 3 -9.814 -0.284 -0.919
31 HG3 PRO 3 HG3 PRO 3 -11.267 0.113 0.052
32 HD2 PRO 3 HD2 PRO 3 -8.443 -0.330 1.002
33 HD3 PRO 3 HD3 PRO 3 -9.631 0.905 1.494
34 HA PRO 4 HA PRO 4 -10.035 -5.919 3.464
35 HB2 PRO 4 HB2 PRO 4 -11.044 -7.937 1.828
36 HB3 PRO 4 HB3 PRO 4 -11.944 -7.057 3.098
37 HG2 PRO 4 HG2 PRO 4 -11.871 -6.495 0.125
38 HG3 PRO 4 HG3 PRO 4 -13.297 -6.544 1.212
39 HD2 PRO 4 HD2 PRO 4 -12.174 -4.208 0.505
40 HD3 PRO 4 HD3 PRO 4 -12.727 -4.451 2.188
41 H GLY 5 H GLY 5 -8.011 -6.395 3.506
42 HA2 GLY 5 HA2 GLY 5 -6.280 -7.905 2.727
43 HA3 GLY 5 HA3 GLY 5 -6.632 -7.423 1.084
44 H TRP 6 H TRP 6 -6.779 -4.372 2.137
45 HA TRP 6 HA TRP 6 -4.055 -4.046 1.182
46 HB2 TRP 6 HB2 TRP 6 -6.038 -1.968 2.104
47 HB3 TRP 6 HB3 TRP 6 -4.448 -1.630 1.477
48 HD1 TRP 6 HD1 TRP 6 -7.892 -2.389 0.381
49 HE1 TRP 6 HE1 TRP 6 -8.035 -2.115 -2.186
50 HE3 TRP 6 HE3 TRP 6 -2.937 -2.207 -0.653
51 HZ2 TRP 6 HZ2 TRP 6 -6.181 -2.178 -4.428
52 HZ3 TRP 6 HZ3 TRP 6 -2.126 -2.085 -2.988
53 HH2 TRP 6 HH2 TRP 6 -3.740 -2.120 -4.888
54 H GLU 7 H GLU 7 -2.236 -3.446 2.065
55 HA GLU 7 HA GLU 7 -2.136 -2.484 4.879
56 HB2 GLU 7 HB2 GLU 7 -1.935 -5.011 4.620
57 HB3 GLU 7 HB3 GLU 7 -0.442 -4.731 3.719
58 HG2 GLU 7 HG2 GLU 7 0.555 -3.669 5.722
59 HG3 GLU 7 HG3 GLU 7 -0.981 -3.846 6.593
60 H LYS 8 H LYS 8 -0.266 -1.153 5.302
61 HA LYS 8 HA LYS 8 0.826 0.208 3.001
62 HB2 LYS 8 HB2 LYS 8 0.382 1.188 5.255
63 HB3 LYS 8 HB3 LYS 8 1.779 0.314 5.891
64 HG2 LYS 8 HG2 LYS 8 3.222 1.571 4.225
65 HG3 LYS 8 HG3 LYS 8 1.792 2.449 3.690
66 HD2 LYS 8 HD2 LYS 8 2.791 2.424 6.574
67 HD3 LYS 8 HD3 LYS 8 3.259 3.654 5.410
68 HE2 LYS 8 HE2 LYS 8 0.335 3.083 6.055
69 HE3 LYS 8 HE3 LYS 8 1.300 4.186 7.038
70 HZ1 LYS 8 HZ1 LYS 8 -0.016 5.216 5.119
71 HZ2 LYS 8 HZ2 LYS 8 1.576 5.626 5.219
72 HZ3 LYS 8 HZ3 LYS 8 1.060 4.505 4.127
73 H ARG 9 H ARG 9 2.894 0.188 2.186
74 HA ARG 9 HA ARG 9 4.664 -2.076 3.005
75 HB2 ARG 9 HB2 ARG 9 2.792 -2.692 1.280
76 HB3 ARG 9 HB3 ARG 9 3.708 -1.731 0.133
77 HG2 ARG 9 HG2 ARG 9 4.230 -4.070 -0.152
78 HG3 ARG 9 HG3 ARG 9 5.652 -3.263 0.470
79 HD2 ARG 9 HD2 ARG 9 5.567 -5.270 1.652
80 HD3 ARG 9 HD3 ARG 9 4.973 -4.108 2.816
81 HE ARG 9 HE ARG 9 3.356 -6.105 1.283
82 HH11 ARG 9 HH11 ARG 9 3.026 -3.824 4.091
83 HH12 ARG 9 HH12 ARG 9 2.209 -5.145 4.931
84 HH21 ARG 9 HH21 ARG 9 2.067 -7.467 2.626
85 HH22 ARG 9 HH22 ARG 9 1.605 -6.762 4.194
86 H MET 10 H MET 10 6.851 -2.009 2.125
87 HA MET 10 HA MET 10 7.664 0.711 1.272
88 HB2 MET 10 HB2 MET 10 7.753 0.419 3.792
89 HB3 MET 10 HB3 MET 10 8.976 -0.834 3.528
90 HG2 MET 10 HG2 MET 10 10.269 0.956 2.189
91 HG3 MET 10 HG3 MET 10 9.143 2.125 2.830
92 HE1 MET 10 HE1 MET 10 8.635 1.414 5.822
93 HE2 MET 10 HE2 MET 10 9.966 2.299 6.600
94 HE3 MET 10 HE3 MET 10 9.100 3.028 5.229
95 H PHE 11 H PHE 11 9.327 0.819 -0.108
96 HA PHE 11 HA PHE 11 10.294 -1.658 -1.312
97 HB2 PHE 11 HB2 PHE 11 10.577 1.277 -1.955
98 HB3 PHE 11 HB3 PHE 11 11.326 0.002 -2.903
99 HD1 PHE 11 HD2 PHE 11 9.782 -1.952 -3.703
100 HD2 PHE 11 HD1 PHE 11 8.279 1.930 -2.504
101 HE1 PHE 11 HE2 PHE 11 7.820 -2.229 -5.198
102 HE2 PHE 11 HE1 PHE 11 6.478 1.728 -4.175
103 HZ PHE 11 HZ PHE 11 6.214 -0.368 -5.466
104 H ARG 12 H ARG 12 11.751 -2.627 -0.033
105 HA ARG 12 HA ARG 12 14.037 -1.631 1.222
106 HB2 ARG 12 HB2 ARG 12 15.029 -3.892 0.773
107 HB3 ARG 12 HB3 ARG 12 13.410 -3.913 1.448
108 HG2 ARG 12 HG2 ARG 12 13.290 -5.600 -0.118
109 HG3 ARG 12 HG3 ARG 12 12.548 -4.266 -0.969
110 HD2 ARG 12 HD2 ARG 12 15.057 -3.954 -1.931
111 HD3 ARG 12 HD3 ARG 12 15.211 -5.614 -1.404
112 HE ARG 12 HE ARG 12 13.840 -6.294 -3.141
113 HH11 ARG 12 HH11 ARG 12 13.537 -2.760 -2.954
114 HH12 ARG 12 HH12 ARG 12 12.643 -2.700 -4.462
115 HH21 ARG 12 HH21 ARG 12 12.669 -6.068 -5.074
116 HH22 ARG 12 HH22 ARG 12 12.174 -4.467 -5.560
117 H SER 13 H SER 13 16.162 -1.233 0.601
118 HA SER 13 HA SER 13 17.880 -0.469 -0.563
119 HB2 SER 13 HB2 SER 13 18.391 -1.057 -2.796
120 HB3 SER 13 HB3 SER 13 17.628 -2.454 -2.021
121 HG SER 13 HG SER 13 15.606 -1.524 -2.961
122 H ASN 14 H ASN 14 14.763 0.934 -1.187
123 HA ASN 14 HA ASN 14 16.334 3.394 -1.672
124 HB2 ASN 14 HB2 ASN 14 15.107 4.232 -3.457
125 HB3 ASN 14 HB3 ASN 14 15.541 2.587 -3.890
126 HD21 ASN 14 HD21 ASN 14 13.881 2.743 -5.524
127 H GLY 15 H GLY 15 13.435 2.004 -0.200
128 HA2 GLY 15 HA2 GLY 15 12.709 2.743 1.909
129 HA3 GLY 15 HA3 GLY 15 13.501 4.304 1.672
130 H THR 16 H THR 16 11.767 3.483 -1.108
131 HA THR 16 HA THR 16 9.684 5.456 -0.774
132 HB THR 16 HB THR 16 9.919 3.136 -2.721
133 HG1 THR 16 HG1 THR 16 11.613 4.312 -2.899
134 HG21 THR 16 HG21 THR 16 8.555 4.495 -4.272
135 HG22 THR 16 HG22 THR 16 7.633 3.972 -2.877
136 HG23 THR 16 HG23 THR 16 8.233 5.652 -2.960
137 H VAL 17 H VAL 17 7.314 4.821 -0.942
138 HA VAL 17 HA VAL 17 6.585 2.507 0.718
139 HB VAL 17 HB VAL 17 6.087 5.380 1.527
140 HG11 VAL 17 HG11 VAL 17 3.845 4.359 1.639
141 HG12 VAL 17 HG12 VAL 17 4.510 2.974 2.531
142 HG13 VAL 17 HG13 VAL 17 4.505 4.593 3.257
143 HG21 VAL 17 HG21 VAL 17 6.834 4.542 3.731
144 HG22 VAL 17 HG22 VAL 17 6.924 2.890 3.080
145 HG23 VAL 17 HG23 VAL 17 8.043 4.154 2.501
146 H TYR 18 H TYR 18 4.520 1.842 0.393
147 HA TYR 18 HA TYR 18 2.668 3.066 -1.506
148 HB2 TYR 18 HB2 TYR 18 2.842 1.429 -3.194
149 HB3 TYR 18 HB3 TYR 18 4.431 2.077 -2.957
150 HD1 TYR 18 HD1 TYR 18 5.980 0.628 -1.248
151 HD2 TYR 18 HD2 TYR 18 2.619 -0.845 -3.529
152 HE1 TYR 18 HE1 TYR 18 6.980 -1.636 -1.249
153 HE2 TYR 18 HE2 TYR 18 3.626 -3.116 -3.518
154 HH TYR 18 HH TYR 18 5.469 -4.376 -2.968
155 H TYR 19 H TYR 19 1.121 0.756 -2.030
156 HA TYR 19 HA TYR 19 0.630 -0.470 0.620
157 HB2 TYR 19 HB2 TYR 19 -1.228 1.259 -0.974
158 HB3 TYR 19 HB3 TYR 19 -1.893 -0.225 -0.335
159 HD1 TYR 19 HD1 TYR 19 -0.052 2.831 0.705
160 HD2 TYR 19 HD2 TYR 19 -2.447 -0.500 1.950
161 HE1 TYR 19 HE1 TYR 19 -0.510 3.979 2.892
162 HE2 TYR 19 HE2 TYR 19 -2.732 0.543 4.201
163 HH TYR 19 HH TYR 19 -2.376 3.715 4.932
164 H PHE 20 H PHE 20 -0.283 -2.469 0.549
165 HA PHE 20 HA PHE 20 -0.251 -3.901 -2.067
166 HB2 PHE 20 HB2 PHE 20 1.891 -3.971 -0.838
167 HB3 PHE 20 HB3 PHE 20 1.086 -4.682 0.556
168 HD1 PHE 20 HD1 PHE 20 2.329 -5.245 -2.859
169 HD2 PHE 20 HD2 PHE 20 0.266 -7.033 0.471
170 HE1 PHE 20 HE1 PHE 20 2.594 -7.490 -3.901
171 HE2 PHE 20 HE2 PHE 20 0.613 -9.292 -0.540
172 HZ PHE 20 HZ PHE 20 1.744 -9.509 -2.732
173 H ASN 21 H ASN 21 -1.952 -5.230 -2.330
174 HA ASN 21 HA ASN 21 -3.797 -5.659 -0.054
175 HB2 ASN 21 HB2 ASN 21 -4.678 -4.782 -2.258
176 HB3 ASN 21 HB3 ASN 21 -4.195 -6.292 -2.980
177 HD21 ASN 21 HD22 ASN 21 -6.643 -4.687 -1.049
178 HD22 ASN 21 HD21 ASN 21 -7.574 -6.134 -0.682
179 H HIS 22 H HIS 22 -2.874 -7.324 1.196
180 HA HIS 22 HA HIS 22 -1.605 -9.575 -0.201
181 HB2 HIS 22 HB2 HIS 22 -1.150 -10.460 2.052
182 HB3 HIS 22 HB3 HIS 22 -0.517 -8.866 1.736
183 HD2 HIS 22 HD2 HIS 22 -0.851 -7.131 3.528
184 HE1 HIS 22 HE1 HIS 22 -3.678 -9.185 5.947
185 HE2 HIS 22 HE2 HIS 22 -1.954 -7.257 5.873
186 H ILE 23 H ILE 23 -4.813 -9.035 0.002
187 HA ILE 23 HA ILE 23 -5.484 -11.924 0.334
188 HB ILE 23 HB ILE 23 -7.053 -9.352 0.216
189 HG12 ILE 23 HG12 ILE 23 -6.908 -11.745 2.118
190 HG13 ILE 23 HG13 ILE 23 -6.195 -10.161 2.382
191 HG21 ILE 23 HG21 ILE 23 -9.157 -10.543 0.137
192 HG22 ILE 23 HG22 ILE 23 -8.248 -10.791 -1.342
193 HG23 ILE 23 HG23 ILE 23 -8.301 -12.090 -0.122
194 HD11 ILE 23 HD11 ILE 23 -9.138 -10.907 2.428
195 HD12 ILE 23 HD12 ILE 23 -8.141 -10.251 3.735
196 HD13 ILE 23 HD13 ILE 23 -8.585 -9.221 2.358
197 H THR 24 H THR 24 -5.112 -9.423 -2.100
198 HA THR 24 HA THR 24 -5.815 -11.373 -4.275
199 HB THR 24 HB THR 24 -6.023 -9.370 -5.710
200 HG1 THR 24 HG1 THR 24 -5.734 -7.939 -3.297
201 HG21 THR 24 HG21 THR 24 -7.641 -9.042 -3.140
202 HG22 THR 24 HG22 THR 24 -8.028 -8.386 -4.740
203 HG23 THR 24 HG23 THR 24 -8.049 -10.143 -4.477
204 H ASN 25 H ASN 25 -3.178 -9.556 -2.993
205 HA ASN 25 HA ASN 25 -0.979 -9.528 -3.319
206 HB2 ASN 25 HB2 ASN 25 -1.257 -10.924 -6.002
207 HB3 ASN 25 HB3 ASN 25 0.226 -10.605 -5.120
208 HD21 ASN 25 HD22 ASN 25 -2.669 -12.580 -5.204
209 HD22 ASN 25 HD21 ASN 25 -2.042 -13.807 -4.081
210 H ALA 26 H ALA 26 -3.254 -7.699 -4.670
211 HA ALA 26 HA ALA 26 -1.833 -6.370 -6.791
212 HB1 ALA 26 HB1 ALA 26 -4.060 -5.295 -5.009
213 HB2 ALA 26 HB2 ALA 26 -3.599 -4.704 -6.612
214 HB3 ALA 26 HB3 ALA 26 -4.315 -6.319 -6.443
215 H SER 27 H SER 27 -1.100 -4.075 -6.749
216 HA SER 27 HA SER 27 -0.234 -2.976 -4.135
217 HB2 SER 27 HB2 SER 27 1.915 -2.291 -5.168
218 HB3 SER 27 HB3 SER 27 1.778 -4.015 -4.855
219 HG SER 27 HG SER 27 1.104 -2.828 -7.354
220 H GLN 28 H GLN 28 -0.421 -0.767 -4.056
221 HA GLN 28 HA GLN 28 -0.656 0.806 -6.553
222 HB2 GLN 28 HB2 GLN 28 -2.720 0.690 -4.319
223 HB3 GLN 28 HB3 GLN 28 -2.466 2.169 -5.245
224 HG2 GLN 28 HG2 GLN 28 -2.928 1.001 -7.356
225 HG3 GLN 28 HG3 GLN 28 -3.150 -0.524 -6.497
226 HE21 GLN 28 HE22 GLN 28 -4.542 2.765 -7.001
227 HE22 GLN 28 HE21 GLN 28 -6.146 2.265 -6.425
228 H PHE 29 H PHE 29 0.049 3.007 -6.223
229 HA PHE 29 HA PHE 29 1.822 3.293 -3.819
230 HB2 PHE 29 HB2 PHE 29 1.797 4.706 -6.483
231 HB3 PHE 29 HB3 PHE 29 2.681 5.287 -5.082
232 HD1 PHE 29 HD1 PHE 29 2.617 1.551 -5.717
233 HD2 PHE 29 HD2 PHE 29 4.789 5.274 -6.244
234 HE1 PHE 29 HE1 PHE 29 4.489 0.339 -6.658
235 HE2 PHE 29 HE2 PHE 29 6.729 3.989 -7.081
236 HZ PHE 29 HZ PHE 29 6.574 1.523 -7.327
237 H GLU 30 H GLU 30 -1.094 4.329 -5.320
238 HA GLU 30 HA GLU 30 -1.703 6.620 -3.694
239 HB2 GLU 30 HB2 GLU 30 -3.790 4.729 -4.779
240 HB3 GLU 30 HB3 GLU 30 -3.837 6.472 -4.603
241 HG2 GLU 30 HG2 GLU 30 -3.672 6.267 -6.892
242 HG3 GLU 30 HG3 GLU 30 -1.977 6.479 -6.479
243 H ARG 31 H ARG 31 -2.330 6.619 -1.534
244 HA ARG 31 HA ARG 31 -2.389 4.049 -0.104
245 HB2 ARG 31 HB2 ARG 31 -2.749 6.891 0.963
246 HB3 ARG 31 HB3 ARG 31 -2.657 5.402 1.901
247 HG2 ARG 31 HG2 ARG 31 -0.510 6.085 2.134
248 HG3 ARG 31 HG3 ARG 31 -0.338 5.062 0.719
249 HD2 ARG 31 HD2 ARG 31 -0.927 7.752 -0.145
250 HD3 ARG 31 HD3 ARG 31 0.306 7.825 1.113
251 HE ARG 31 HE ARG 31 0.511 6.429 -1.527
252 HH11 ARG 31 HH11 ARG 31 2.316 7.287 1.374
253 HH12 ARG 31 HH12 ARG 31 3.802 6.707 0.649
254 HH21 ARG 31 HH21 ARG 31 2.245 5.783 -2.283
255 HH22 ARG 31 HH22 ARG 31 3.756 5.637 -1.392
256 HA PRO 32 HA PRO 32 -6.816 3.612 -0.807
257 HB2 PRO 32 HB2 PRO 32 -6.704 2.120 1.808
258 HB3 PRO 32 HB3 PRO 32 -7.529 1.679 0.284
259 HG2 PRO 32 HG2 PRO 32 -5.161 0.541 0.995
260 HG3 PRO 32 HG3 PRO 32 -5.504 0.939 -0.687
261 HD2 PRO 32 HD2 PRO 32 -3.786 2.437 1.283
262 HD3 PRO 32 HD3 PRO 32 -3.577 2.245 -0.484
263 H SER 33 H SER 33 -5.640 4.517 2.395
264 HA SER 33 HA SER 33 -7.502 6.762 2.579
265 HB2 SER 33 HB2 SER 33 -8.485 6.026 4.749
266 HB3 SER 33 HB3 SER 33 -8.934 4.990 3.393
267 HG SER 33 HG SER 33 -8.412 3.649 4.982
268 H GLY 34 H GLY 34 -4.610 6.477 2.454
269 HA2 GLY 34 HA2 GLY 34 -2.843 7.695 3.516
270 HA3 GLY 34 HA3 GLY 34 -3.719 7.664 5.043
271 H1 NAG 101 H1 NAG 35 11.140 2.255 -4.458
272 H2 NAG 101 H2 NAG 35 11.976 3.276 -7.228
273 H3 NAG 101 H3 NAG 35 9.184 2.504 -6.232
274 H4 NAG 101 H4 NAG 35 11.001 1.142 -8.294
275 H5 NAG 101 H5 NAG 35 10.070 0.289 -5.531
276 H61 NAG 101 H61 NAG 35 10.266 -1.808 -6.644
277 H62 NAG 101 H62 NAG 35 11.598 -1.224 -7.669
278 H81 NAG 101 H2M NAG 35 9.682 6.911 -5.355
279 H82 NAG 101 H3M NAG 35 10.490 7.743 -6.702
280 H83 NAG 101 H1M NAG 35 11.449 7.129 -5.338
281 HN2 NAG 101 H2N NAG 35 10.918 4.656 -4.909
282 HO3 NAG 101 H3O NAG 35 9.872 4.162 -8.166
283 HO4 NAG 101 H4O NAG 35 8.658 1.264 -8.492
284 HO6 NAG 101 H6O NAG 35 12.581 -0.758 -5.510
Start of MODEL 7
1 H1 LYS 1 H1 LYS 1 -10.710 5.455 1.666
2 H2 LYS 1 H2 LYS 1 -9.823 4.077 1.743
3 H3 LYS 1 H3 LYS 1 -11.465 3.986 1.629
4 HA LYS 1 HA LYS 1 -11.423 4.991 -0.552
5 HB2 LYS 1 HB2 LYS 1 -8.426 4.921 -0.110
6 HB3 LYS 1 HB3 LYS 1 -9.157 4.990 -1.721
7 HG2 LYS 1 HG2 LYS 1 -10.228 7.091 -1.246
8 HG3 LYS 1 HG3 LYS 1 -9.712 7.041 0.454
9 HD2 LYS 1 HD2 LYS 1 -7.374 7.188 -0.169
10 HD3 LYS 1 HD3 LYS 1 -7.754 7.043 -1.893
11 HE2 LYS 1 HE2 LYS 1 -8.829 9.181 -1.956
12 HE3 LYS 1 HE3 LYS 1 -8.839 9.308 -0.181
13 HZ1 LYS 1 HZ1 LYS 1 -6.330 9.141 -1.753
14 HZ2 LYS 1 HZ2 LYS 1 -7.002 10.582 -1.257
15 HZ3 LYS 1 HZ3 LYS 1 -6.504 9.452 -0.152
16 H LEU 2 H LEU 2 -8.658 2.799 -0.946
17 HA LEU 2 HA LEU 2 -10.446 0.921 -2.143
18 HB2 LEU 2 HB2 LEU 2 -7.606 0.173 -1.835
19 HB3 LEU 2 HB3 LEU 2 -8.716 -0.238 -3.011
20 HG LEU 2 HG LEU 2 -8.879 1.903 -4.067
21 HD11 LEU 2 HD11 LEU 2 -6.124 2.608 -3.081
22 HD12 LEU 2 HD12 LEU 2 -7.281 3.572 -3.993
23 HD13 LEU 2 HD13 LEU 2 -7.541 3.281 -2.269
24 HD21 LEU 2 HD21 LEU 2 -6.799 1.491 -5.371
25 HD22 LEU 2 HD22 LEU 2 -6.207 0.436 -4.069
26 HD23 LEU 2 HD23 LEU 2 -7.658 -0.005 -5.001
27 HA PRO 3 HA PRO 3 -11.657 -1.983 0.670
28 HB2 PRO 3 HB2 PRO 3 -10.020 -4.095 -0.759
29 HB3 PRO 3 HB3 PRO 3 -11.761 -4.188 -0.299
30 HG2 PRO 3 HG2 PRO 3 -11.108 -3.647 -2.828
31 HG3 PRO 3 HG3 PRO 3 -12.300 -2.550 -2.027
32 HD2 PRO 3 HD2 PRO 3 -9.272 -2.178 -2.231
33 HD3 PRO 3 HD3 PRO 3 -10.545 -1.040 -2.722
34 HA PRO 4 HA PRO 4 -9.087 -3.710 3.988
35 HB2 PRO 4 HB2 PRO 4 -11.057 -6.002 3.800
36 HB3 PRO 4 HB3 PRO 4 -10.463 -5.150 5.262
37 HG2 PRO 4 HG2 PRO 4 -12.920 -4.595 4.265
38 HG3 PRO 4 HG3 PRO 4 -11.853 -3.259 4.811
39 HD2 PRO 4 HD2 PRO 4 -12.356 -4.233 1.992
40 HD3 PRO 4 HD3 PRO 4 -12.269 -2.557 2.620
41 H GLY 5 H GLY 5 -7.337 -5.173 3.952
42 HA2 GLY 5 HA2 GLY 5 -6.257 -7.223 2.969
43 HA3 GLY 5 HA3 GLY 5 -7.064 -6.820 1.467
44 H TRP 6 H TRP 6 -6.671 -3.807 1.373
45 HA TRP 6 HA TRP 6 -3.868 -3.758 0.709
46 HB2 TRP 6 HB2 TRP 6 -5.910 -1.614 1.202
47 HB3 TRP 6 HB3 TRP 6 -4.295 -1.340 0.589
48 HD1 TRP 6 HD1 TRP 6 -7.652 -1.934 -0.664
49 HE1 TRP 6 HE1 TRP 6 -7.599 -2.038 -3.199
50 HE3 TRP 6 HE3 TRP 6 -2.672 -2.123 -1.275
51 HZ2 TRP 6 HZ2 TRP 6 -5.610 -2.322 -5.296
52 HZ3 TRP 6 HZ3 TRP 6 -1.706 -2.030 -3.491
53 HH2 TRP 6 HH2 TRP 6 -3.127 -2.201 -5.557
54 H GLU 7 H GLU 7 -2.154 -3.169 1.768
55 HA GLU 7 HA GLU 7 -2.286 -1.967 4.495
56 HB2 GLU 7 HB2 GLU 7 -2.348 -4.558 4.331
57 HB3 GLU 7 HB3 GLU 7 -0.680 -4.441 3.767
58 HG2 GLU 7 HG2 GLU 7 -0.083 -3.321 5.924
59 HG3 GLU 7 HG3 GLU 7 -1.776 -3.425 6.432
60 H LYS 8 H LYS 8 -0.373 -0.738 5.056
61 HA LYS 8 HA LYS 8 1.030 0.352 2.834
62 HB2 LYS 8 HB2 LYS 8 0.491 1.513 4.969
63 HB3 LYS 8 HB3 LYS 8 1.803 0.629 5.762
64 HG2 LYS 8 HG2 LYS 8 3.429 1.691 4.175
65 HG3 LYS 8 HG3 LYS 8 2.093 2.438 3.308
66 HD2 LYS 8 HD2 LYS 8 3.067 4.124 4.714
67 HD3 LYS 8 HD3 LYS 8 1.467 3.729 5.328
68 HE2 LYS 8 HE2 LYS 8 2.926 3.959 7.214
69 HE3 LYS 8 HE3 LYS 8 2.522 2.247 7.060
70 HZ1 LYS 8 HZ1 LYS 8 5.034 3.528 6.142
71 HZ2 LYS 8 HZ2 LYS 8 4.878 2.554 7.457
72 HZ3 LYS 8 HZ3 LYS 8 4.671 1.937 5.946
73 H ARG 9 H ARG 9 3.082 0.183 2.100
74 HA ARG 9 HA ARG 9 4.781 -2.097 3.019
75 HB2 ARG 9 HB2 ARG 9 2.842 -2.449 1.099
76 HB3 ARG 9 HB3 ARG 9 4.112 -1.805 0.096
77 HG2 ARG 9 HG2 ARG 9 4.408 -4.064 -0.113
78 HG3 ARG 9 HG3 ARG 9 5.588 -3.715 1.116
79 HD2 ARG 9 HD2 ARG 9 3.059 -5.308 1.271
80 HD3 ARG 9 HD3 ARG 9 4.621 -5.630 1.991
81 HE ARG 9 HE ARG 9 3.520 -3.397 3.366
82 HH11 ARG 9 HH11 ARG 9 2.238 -6.748 3.068
83 HH12 ARG 9 HH12 ARG 9 1.390 -6.412 4.607
84 HH21 ARG 9 HH21 ARG 9 2.469 -3.367 5.189
85 HH22 ARG 9 HH22 ARG 9 1.575 -4.843 5.682
86 H MET 10 H MET 10 6.955 -2.092 2.112
87 HA MET 10 HA MET 10 7.872 0.597 1.250
88 HB2 MET 10 HB2 MET 10 7.972 0.348 3.771
89 HB3 MET 10 HB3 MET 10 9.143 -0.951 3.524
90 HG2 MET 10 HG2 MET 10 10.458 0.824 2.098
91 HG3 MET 10 HG3 MET 10 9.383 1.993 2.830
92 HE1 MET 10 HE1 MET 10 11.370 -1.230 4.206
93 HE2 MET 10 HE2 MET 10 12.450 -0.271 3.160
94 HE3 MET 10 HE3 MET 10 12.755 -0.369 4.910
95 H PHE 11 H PHE 11 9.383 0.603 -0.260
96 HA PHE 11 HA PHE 11 10.390 -1.855 -1.430
97 HB2 PHE 11 HB2 PHE 11 10.741 1.092 -2.016
98 HB3 PHE 11 HB3 PHE 11 11.453 -0.192 -2.988
99 HD1 PHE 11 HD1 PHE 11 9.792 -2.064 -3.843
100 HD2 PHE 11 HD2 PHE 11 8.559 1.886 -2.588
101 HE1 PHE 11 HE1 PHE 11 7.782 -2.219 -5.287
102 HE2 PHE 11 HE2 PHE 11 6.672 1.791 -4.177
103 HZ PHE 11 HZ PHE 11 6.257 -0.278 -5.491
104 H ARG 12 H ARG 12 11.827 -2.855 -0.127
105 HA ARG 12 HA ARG 12 14.116 -1.650 1.158
106 HB2 ARG 12 HB2 ARG 12 13.520 -4.470 0.158
107 HB3 ARG 12 HB3 ARG 12 15.060 -4.033 0.886
108 HG2 ARG 12 HG2 ARG 12 13.652 -5.071 2.540
109 HG3 ARG 12 HG3 ARG 12 13.970 -3.391 2.984
110 HD2 ARG 12 HD2 ARG 12 11.731 -2.724 2.313
111 HD3 ARG 12 HD3 ARG 12 11.418 -4.329 1.613
112 HE ARG 12 HE ARG 12 12.099 -4.585 4.375
113 HH11 ARG 12 HH11 ARG 12 9.394 -3.439 2.410
114 HH12 ARG 12 HH12 ARG 12 8.220 -4.054 3.562
115 HH21 ARG 12 HH22 ARG 12 10.538 -5.190 5.846
116 HH22 ARG 12 HH21 ARG 12 8.861 -4.911 5.505
117 H SER 13 H SER 13 16.133 -1.313 0.418
118 HA SER 13 HA SER 13 17.917 -0.994 -0.903
119 HB2 SER 13 HB2 SER 13 18.175 -1.563 -3.185
120 HB3 SER 13 HB3 SER 13 17.373 -2.913 -2.367
121 HG SER 13 HG SER 13 15.383 -2.066 -3.129
122 H ASN 14 H ASN 14 14.847 0.614 -1.392
123 HA ASN 14 HA ASN 14 16.534 3.012 -1.841
124 HB2 ASN 14 HB2 ASN 14 15.234 3.936 -3.570
125 HB3 ASN 14 HB3 ASN 14 15.669 2.304 -4.055
126 HD21 ASN 14 HD21 ASN 14 13.950 2.654 -5.636
127 H GLY 15 H GLY 15 13.695 1.681 -0.253
128 HA2 GLY 15 HA2 GLY 15 12.942 2.460 1.809
129 HA3 GLY 15 HA3 GLY 15 13.801 3.988 1.584
130 H THR 16 H THR 16 12.006 3.214 -1.224
131 HA THR 16 HA THR 16 10.015 5.300 -0.767
132 HB THR 16 HB THR 16 10.288 3.153 -2.897
133 HG1 THR 16 HG1 THR 16 11.843 4.895 -2.552
134 HG21 THR 16 HG21 THR 16 7.935 3.898 -2.958
135 HG22 THR 16 HG22 THR 16 8.465 5.598 -2.915
136 HG23 THR 16 HG23 THR 16 8.826 4.567 -4.315
137 H VAL 17 H VAL 17 7.637 4.760 -1.003
138 HA VAL 17 HA VAL 17 6.831 2.454 0.643
139 HB VAL 17 HB VAL 17 6.459 5.363 1.379
140 HG11 VAL 17 HG11 VAL 17 4.706 3.084 2.387
141 HG12 VAL 17 HG12 VAL 17 4.800 4.718 3.087
142 HG13 VAL 17 HG13 VAL 17 4.165 4.506 1.461
143 HG21 VAL 17 HG21 VAL 17 7.115 4.522 3.608
144 HG22 VAL 17 HG22 VAL 17 7.118 2.853 2.988
145 HG23 VAL 17 HG23 VAL 17 8.316 4.039 2.406
146 H TYR 18 H TYR 18 4.742 1.859 0.370
147 HA TYR 18 HA TYR 18 2.928 3.093 -1.528
148 HB2 TYR 18 HB2 TYR 18 3.016 1.409 -3.201
149 HB3 TYR 18 HB3 TYR 18 4.614 2.065 -3.027
150 HD1 TYR 18 HD1 TYR 18 6.193 0.615 -1.277
151 HD2 TYR 18 HD2 TYR 18 2.862 -0.821 -3.599
152 HE1 TYR 18 HE1 TYR 18 7.151 -1.671 -1.226
153 HE2 TYR 18 HE2 TYR 18 3.826 -3.126 -3.539
154 HH TYR 18 HH TYR 18 5.677 -4.394 -2.950
155 H TYR 19 H TYR 19 1.334 0.770 -2.038
156 HA TYR 19 HA TYR 19 0.797 -0.408 0.604
157 HB2 TYR 19 HB2 TYR 19 -1.022 1.328 -1.043
158 HB3 TYR 19 HB3 TYR 19 -1.705 -0.138 -0.379
159 HD1 TYR 19 HD1 TYR 19 0.303 2.864 0.723
160 HD2 TYR 19 HD2 TYR 19 -2.587 -0.163 1.776
161 HE1 TYR 19 HE1 TYR 19 -0.065 3.963 2.916
162 HE2 TYR 19 HE2 TYR 19 -3.043 1.011 3.913
163 HH TYR 19 HH TYR 19 -2.797 3.136 4.963
164 H PHE 20 H PHE 20 -0.104 -2.412 0.494
165 HA PHE 20 HA PHE 20 -0.057 -3.811 -2.145
166 HB2 PHE 20 HB2 PHE 20 2.074 -3.916 -0.894
167 HB3 PHE 20 HB3 PHE 20 1.219 -4.592 0.495
168 HD1 PHE 20 HD1 PHE 20 2.527 -5.224 -2.874
169 HD2 PHE 20 HD2 PHE 20 0.407 -6.938 0.454
170 HE1 PHE 20 HE1 PHE 20 2.733 -7.486 -3.910
171 HE2 PHE 20 HE2 PHE 20 0.696 -9.209 -0.543
172 HZ PHE 20 HZ PHE 20 1.811 -9.473 -2.729
173 H ASN 21 H ASN 21 -1.752 -5.146 -2.428
174 HA ASN 21 HA ASN 21 -3.627 -5.533 -0.174
175 HB2 ASN 21 HB2 ASN 21 -4.401 -4.775 -2.481
176 HB3 ASN 21 HB3 ASN 21 -4.024 -6.390 -3.033
177 HD21 ASN 21 HD22 ASN 21 -6.561 -4.484 -1.777
178 HD22 ASN 21 HD21 ASN 21 -7.472 -5.822 -1.092
179 H HIS 22 H HIS 22 -2.751 -7.091 1.193
180 HA HIS 22 HA HIS 22 -1.406 -9.414 -0.011
181 HB2 HIS 22 HB2 HIS 22 -1.114 -10.194 2.288
182 HB3 HIS 22 HB3 HIS 22 -0.523 -8.568 2.026
183 HD2 HIS 22 HD2 HIS 22 -1.215 -6.798 3.712
184 HE1 HIS 22 HE1 HIS 22 -4.223 -8.977 5.787
185 HE2 HIS 22 HE2 HIS 22 -2.641 -6.926 5.874
186 H ILE 23 H ILE 23 -4.646 -8.737 0.225
187 HA ILE 23 HA ILE 23 -5.465 -11.571 0.494
188 HB ILE 23 HB ILE 23 -6.879 -8.902 0.441
189 HG12 ILE 23 HG12 ILE 23 -6.763 -11.253 2.377
190 HG13 ILE 23 HG13 ILE 23 -5.970 -9.690 2.562
191 HG21 ILE 23 HG21 ILE 23 -9.038 -9.965 0.456
192 HG22 ILE 23 HG22 ILE 23 -8.206 -10.296 -1.056
193 HG23 ILE 23 HG23 ILE 23 -8.288 -11.568 0.193
194 HD11 ILE 23 HD11 ILE 23 -8.297 -8.633 2.630
195 HD12 ILE 23 HD12 ILE 23 -8.941 -10.285 2.749
196 HD13 ILE 23 HD13 ILE 23 -7.856 -9.669 4.003
197 H THR 24 H THR 24 -5.161 -9.039 -2.033
198 HA THR 24 HA THR 24 -5.890 -11.109 -4.077
199 HB THR 24 HB THR 24 -6.216 -9.343 -5.627
200 HG1 THR 24 HG1 THR 24 -5.982 -7.181 -4.943
201 HG21 THR 24 HG21 THR 24 -8.087 -9.770 -4.021
202 HG22 THR 24 HG22 THR 24 -7.490 -8.435 -3.014
203 HG23 THR 24 HG23 THR 24 -8.069 -8.118 -4.662
204 H ASN 25 H ASN 25 -3.168 -9.365 -2.974
205 HA ASN 25 HA ASN 25 -0.970 -9.510 -3.334
206 HB2 ASN 25 HB2 ASN 25 -1.391 -10.925 -5.994
207 HB3 ASN 25 HB3 ASN 25 0.122 -10.696 -5.139
208 HD21 ASN 25 HD22 ASN 25 -2.918 -12.455 -5.132
209 HD22 ASN 25 HD21 ASN 25 -2.346 -13.722 -4.023
210 H ALA 26 H ALA 26 -3.145 -7.597 -4.797
211 HA ALA 26 HA ALA 26 -1.599 -6.350 -6.870
212 HB1 ALA 26 HB1 ALA 26 -3.837 -5.207 -5.145
213 HB2 ALA 26 HB2 ALA 26 -3.300 -4.587 -6.717
214 HB3 ALA 26 HB3 ALA 26 -4.066 -6.182 -6.619
215 H SER 27 H SER 27 -0.785 -4.081 -6.870
216 HA SER 27 HA SER 27 0.071 -2.953 -4.263
217 HB2 SER 27 HB2 SER 27 2.205 -2.243 -5.339
218 HB3 SER 27 HB3 SER 27 2.080 -3.951 -4.948
219 HG SER 27 HG SER 27 1.446 -2.855 -7.506
220 H GLN 28 H GLN 28 -0.038 -0.744 -4.169
221 HA GLN 28 HA GLN 28 -0.370 0.931 -6.567
222 HB2 GLN 28 HB2 GLN 28 -2.662 0.242 -6.100
223 HB3 GLN 28 HB3 GLN 28 -2.467 0.557 -4.378
224 HG2 GLN 28 HG2 GLN 28 -3.851 2.243 -5.570
225 HG3 GLN 28 HG3 GLN 28 -2.486 2.914 -4.696
226 HE21 GLN 28 HE22 GLN 28 -3.498 1.950 -8.073
227 HE22 GLN 28 HE21 GLN 28 -2.453 3.173 -8.776
228 H PHE 29 H PHE 29 0.198 3.200 -6.001
229 HA PHE 29 HA PHE 29 1.857 3.291 -3.524
230 HB2 PHE 29 HB2 PHE 29 1.805 5.011 -5.997
231 HB3 PHE 29 HB3 PHE 29 2.681 5.423 -4.533
232 HD1 PHE 29 HD2 PHE 29 2.717 1.773 -5.584
233 HD2 PHE 29 HD1 PHE 29 4.763 5.604 -5.737
234 HE1 PHE 29 HE2 PHE 29 4.625 0.724 -6.626
235 HE2 PHE 29 HE1 PHE 29 6.736 4.471 -6.702
236 HZ PHE 29 HZ PHE 29 6.669 2.033 -7.175
237 H GLU 30 H GLU 30 -1.103 4.677 -4.944
238 HA GLU 30 HA GLU 30 -1.453 6.588 -2.779
239 HB2 GLU 30 HB2 GLU 30 -2.789 6.000 -5.183
240 HB3 GLU 30 HB3 GLU 30 -3.966 5.603 -3.947
241 HG2 GLU 30 HG2 GLU 30 -2.456 8.253 -4.151
242 HG3 GLU 30 HG3 GLU 30 -4.055 7.961 -4.829
243 H ARG 31 H ARG 31 -2.860 6.406 -1.095
244 HA ARG 31 HA ARG 31 -2.617 3.781 0.282
245 HB2 ARG 31 HB2 ARG 31 -3.215 6.402 1.651
246 HB3 ARG 31 HB3 ARG 31 -2.648 4.915 2.336
247 HG2 ARG 31 HG2 ARG 31 -0.637 5.980 2.283
248 HG3 ARG 31 HG3 ARG 31 -0.571 5.282 0.678
249 HD2 ARG 31 HD2 ARG 31 0.193 7.520 0.557
250 HD3 ARG 31 HD3 ARG 31 -1.372 7.506 -0.242
251 HE ARG 31 HE ARG 31 -0.686 8.693 2.397
252 HH11 ARG 31 HH21 ARG 31 -3.284 8.474 -0.079
253 HH12 ARG 31 HH22 ARG 31 -4.453 9.055 1.107
254 HH21 ARG 31 HH11 ARG 31 -2.263 9.586 3.695
255 HH22 ARG 31 HH12 ARG 31 -3.913 9.575 3.117
256 HA PRO 32 HA PRO 32 -7.154 3.174 -0.042
257 HB2 PRO 32 HB2 PRO 32 -6.054 0.912 1.641
258 HB3 PRO 32 HB3 PRO 32 -7.536 0.937 0.627
259 HG2 PRO 32 HG2 PRO 32 -5.552 0.078 -0.693
260 HG3 PRO 32 HG3 PRO 32 -6.208 1.477 -1.341
261 HD2 PRO 32 HD2 PRO 32 -3.826 1.553 0.494
262 HD3 PRO 32 HD3 PRO 32 -4.004 2.243 -1.147
263 H SER 33 H SER 33 -5.162 3.303 2.861
264 HA SER 33 HA SER 33 -7.061 3.651 4.886
265 HB2 SER 33 HB2 SER 33 -4.359 5.031 4.648
266 HB3 SER 33 HB3 SER 33 -5.259 4.716 6.143
267 HG SER 33 HG SER 33 -5.015 2.493 5.745
268 H GLY 34 H GLY 34 -6.249 6.042 2.367
269 HA2 GLY 34 HA2 GLY 34 -8.058 7.808 2.201
270 HA3 GLY 34 HA3 GLY 34 -7.748 8.145 3.908
271 H1 NAG 101 H1 NAG 35 11.216 2.186 -4.544
272 H2 NAG 101 H2 NAG 35 12.103 3.262 -7.276
273 H3 NAG 101 H3 NAG 35 9.273 2.650 -6.287
274 H4 NAG 101 H4 NAG 35 10.972 1.251 -8.421
275 H5 NAG 101 H5 NAG 35 10.012 0.315 -5.691
276 H61 NAG 101 H61 NAG 35 10.069 -1.652 -7.121
277 H62 NAG 101 H62 NAG 35 11.598 -1.129 -7.857
278 H81 NAG 101 H2M NAG 35 11.874 7.064 -5.231
279 H82 NAG 101 H3M NAG 35 10.096 6.979 -5.238
280 H83 NAG 101 H1M NAG 35 10.952 7.797 -6.562
281 HN2 NAG 101 H2N NAG 35 11.181 4.618 -4.888
282 HO3 NAG 101 H3O NAG 35 10.059 4.333 -8.158
283 HO4 NAG 101 H4O NAG 35 8.643 1.553 -8.579
284 HO6 NAG 101 H6O NAG 35 12.371 -1.119 -5.562
Start of MODEL 8
1 H1 LYS 1 H1 LYS 1 -9.623 4.340 1.196
2 H2 LYS 1 H2 LYS 1 -11.165 4.863 1.431
3 H3 LYS 1 H3 LYS 1 -9.972 5.890 0.884
4 HA LYS 1 HA LYS 1 -11.662 5.034 -0.807
5 HB2 LYS 1 HB2 LYS 1 -8.680 5.028 -1.147
6 HB3 LYS 1 HB3 LYS 1 -9.756 4.670 -2.513
7 HG2 LYS 1 HG2 LYS 1 -10.862 6.826 -2.312
8 HG3 LYS 1 HG3 LYS 1 -9.895 7.258 -0.920
9 HD2 LYS 1 HD2 LYS 1 -9.035 6.943 -3.800
10 HD3 LYS 1 HD3 LYS 1 -8.884 8.365 -2.773
11 HE2 LYS 1 HE2 LYS 1 -7.303 5.766 -2.485
12 HE3 LYS 1 HE3 LYS 1 -6.709 7.233 -3.253
13 HZ1 LYS 1 HZ1 LYS 1 -6.263 8.161 -1.340
14 HZ2 LYS 1 HZ2 LYS 1 -7.614 7.567 -0.477
15 HZ3 LYS 1 HZ3 LYS 1 -6.291 6.665 -0.706
16 H LEU 2 H LEU 2 -8.843 2.783 -0.941
17 HA LEU 2 HA LEU 2 -10.613 0.857 -2.068
18 HB2 LEU 2 HB2 LEU 2 -7.747 0.188 -1.782
19 HB3 LEU 2 HB3 LEU 2 -8.858 -0.282 -2.933
20 HG LEU 2 HG LEU 2 -9.104 1.836 -4.032
21 HD11 LEU 2 HD11 LEU 2 -7.751 3.252 -2.275
22 HD12 LEU 2 HD12 LEU 2 -6.352 2.582 -3.087
23 HD13 LEU 2 HD13 LEU 2 -7.527 3.529 -4.012
24 HD21 LEU 2 HD21 LEU 2 -7.857 -0.071 -4.947
25 HD22 LEU 2 HD22 LEU 2 -7.036 1.431 -5.366
26 HD23 LEU 2 HD23 LEU 2 -6.400 0.420 -4.049
27 HA PRO 3 HA PRO 3 -11.711 -2.024 0.793
28 HB2 PRO 3 HB2 PRO 3 -10.098 -4.134 -0.669
29 HB3 PRO 3 HB3 PRO 3 -11.825 -4.229 -0.176
30 HG2 PRO 3 HG2 PRO 3 -11.235 -3.696 -2.716
31 HG3 PRO 3 HG3 PRO 3 -12.409 -2.595 -1.892
32 HD2 PRO 3 HD2 PRO 3 -9.385 -2.241 -2.153
33 HD3 PRO 3 HD3 PRO 3 -10.655 -1.098 -2.636
34 HA PRO 4 HA PRO 4 -9.074 -3.745 4.056
35 HB2 PRO 4 HB2 PRO 4 -11.006 -6.071 3.863
36 HB3 PRO 4 HB3 PRO 4 -10.404 -5.231 5.329
37 HG2 PRO 4 HG2 PRO 4 -12.883 -4.697 4.377
38 HG3 PRO 4 HG3 PRO 4 -11.826 -3.353 4.922
39 HD2 PRO 4 HD2 PRO 4 -12.360 -4.300 2.101
40 HD3 PRO 4 HD3 PRO 4 -12.287 -2.630 2.747
41 H GLY 5 H GLY 5 -7.294 -5.171 3.979
42 HA2 GLY 5 HA2 GLY 5 -6.193 -7.200 2.953
43 HA3 GLY 5 HA3 GLY 5 -7.021 -6.781 1.470
44 H TRP 6 H TRP 6 -6.678 -3.761 1.430
45 HA TRP 6 HA TRP 6 -3.872 -3.658 0.738
46 HB2 TRP 6 HB2 TRP 6 -5.962 -1.559 1.224
47 HB3 TRP 6 HB3 TRP 6 -4.355 -1.258 0.603
48 HD1 TRP 6 HD1 TRP 6 -7.712 -1.959 -0.613
49 HE1 TRP 6 HE1 TRP 6 -7.691 -2.040 -3.129
50 HE3 TRP 6 HE3 TRP 6 -2.726 -2.016 -1.272
51 HZ2 TRP 6 HZ2 TRP 6 -5.700 -2.247 -5.265
52 HZ3 TRP 6 HZ3 TRP 6 -1.775 -1.917 -3.501
53 HH2 TRP 6 HH2 TRP 6 -3.223 -2.082 -5.551
54 H GLU 7 H GLU 7 -2.165 -2.980 1.801
55 HA GLU 7 HA GLU 7 -2.346 -1.800 4.535
56 HB2 GLU 7 HB2 GLU 7 -2.286 -4.317 4.538
57 HB3 GLU 7 HB3 GLU 7 -0.760 -4.244 3.651
58 HG2 GLU 7 HG2 GLU 7 0.289 -3.083 5.589
59 HG3 GLU 7 HG3 GLU 7 -1.258 -3.152 6.456
60 H LYS 8 H LYS 8 -0.394 -0.571 5.113
61 HA LYS 8 HA LYS 8 0.995 0.578 2.880
62 HB2 LYS 8 HB2 LYS 8 0.524 1.691 5.083
63 HB3 LYS 8 HB3 LYS 8 1.815 0.722 5.805
64 HG2 LYS 8 HG2 LYS 8 3.461 1.786 4.254
65 HG3 LYS 8 HG3 LYS 8 2.152 2.602 3.410
66 HD2 LYS 8 HD2 LYS 8 3.253 4.173 4.872
67 HD3 LYS 8 HD3 LYS 8 1.600 3.895 5.441
68 HE2 LYS 8 HE2 LYS 8 2.454 2.316 7.159
69 HE3 LYS 8 HE3 LYS 8 4.106 2.558 6.568
70 HZ1 LYS 8 HZ1 LYS 8 3.917 4.889 7.185
71 HZ2 LYS 8 HZ2 LYS 8 2.380 4.669 7.723
72 HZ3 LYS 8 HZ3 LYS 8 3.632 3.939 8.497
73 H ARG 9 H ARG 9 3.107 0.413 2.206
74 HA ARG 9 HA ARG 9 4.717 -1.903 3.153
75 HB2 ARG 9 HB2 ARG 9 2.880 -2.484 1.374
76 HB3 ARG 9 HB3 ARG 9 3.854 -1.561 0.245
77 HG2 ARG 9 HG2 ARG 9 4.328 -3.891 -0.042
78 HG3 ARG 9 HG3 ARG 9 5.746 -3.149 0.661
79 HD2 ARG 9 HD2 ARG 9 5.517 -5.173 1.819
80 HD3 ARG 9 HD3 ARG 9 4.938 -3.980 2.961
81 HE ARG 9 HE ARG 9 3.292 -5.929 1.402
82 HH11 ARG 9 HH12 ARG 9 2.916 -3.510 4.103
83 HH12 ARG 9 HH11 ARG 9 1.954 -4.738 4.910
84 HH21 ARG 9 HH21 ARG 9 1.862 -7.171 2.744
85 HH22 ARG 9 HH22 ARG 9 1.326 -6.344 4.225
86 H MET 10 H MET 10 6.930 -1.907 2.375
87 HA MET 10 HA MET 10 7.844 0.710 1.307
88 HB2 MET 10 HB2 MET 10 8.038 0.533 3.829
89 HB3 MET 10 HB3 MET 10 9.194 -0.786 3.571
90 HG2 MET 10 HG2 MET 10 10.494 0.861 2.079
91 HG3 MET 10 HG3 MET 10 9.437 2.117 2.681
92 HE1 MET 10 HE1 MET 10 9.638 3.307 4.898
93 HE2 MET 10 HE2 MET 10 9.015 1.826 5.670
94 HE3 MET 10 HE3 MET 10 10.451 2.640 6.332
95 H PHE 11 H PHE 11 9.377 0.634 -0.223
96 HA PHE 11 HA PHE 11 10.052 -1.901 -1.453
97 HB2 PHE 11 HB2 PHE 11 10.636 0.997 -2.044
98 HB3 PHE 11 HB3 PHE 11 11.265 -0.321 -3.021
99 HD1 PHE 11 HD2 PHE 11 9.558 -2.117 -3.857
100 HD2 PHE 11 HD1 PHE 11 8.411 1.861 -2.588
101 HE1 PHE 11 HE2 PHE 11 7.583 -2.191 -5.356
102 HE2 PHE 11 HE1 PHE 11 6.595 1.850 -4.249
103 HZ PHE 11 HZ PHE 11 6.143 -0.194 -5.589
104 H ARG 12 H ARG 12 11.519 -3.147 -0.561
105 HA ARG 12 HA ARG 12 13.883 -2.430 0.835
106 HB2 ARG 12 HB2 ARG 12 13.330 -4.847 -0.957
107 HB3 ARG 12 HB3 ARG 12 14.617 -4.700 0.229
108 HG2 ARG 12 HG2 ARG 12 13.267 -5.732 1.652
109 HG3 ARG 12 HG3 ARG 12 12.409 -4.213 1.834
110 HD2 ARG 12 HD2 ARG 12 11.696 -6.325 -0.255
111 HD3 ARG 12 HD3 ARG 12 11.058 -6.358 1.388
112 HE ARG 12 HE ARG 12 10.162 -3.979 0.844
113 HH11 ARG 12 HH11 ARG 12 10.076 -6.684 -1.428
114 HH12 ARG 12 HH12 ARG 12 8.628 -6.072 -2.186
115 HH21 ARG 12 HH21 ARG 12 8.472 -3.304 -0.110
116 HH22 ARG 12 HH22 ARG 12 7.661 -4.113 -1.450
117 H SER 13 H SER 13 16.000 -2.211 0.117
118 HA SER 13 HA SER 13 17.730 -1.558 -1.099
119 HB2 SER 13 HB2 SER 13 18.063 -2.057 -3.383
120 HB3 SER 13 HB3 SER 13 17.187 -3.412 -2.654
121 HG SER 13 HG SER 13 15.231 -2.276 -3.441
122 H ASN 14 H ASN 14 14.749 0.203 -1.431
123 HA ASN 14 HA ASN 14 16.562 2.501 -1.846
124 HB2 ASN 14 HB2 ASN 14 15.382 3.568 -3.562
125 HB3 ASN 14 HB3 ASN 14 15.685 1.922 -4.092
126 HD21 ASN 14 HD21 ASN 14 14.029 2.153 -5.678
127 H GLY 15 H GLY 15 13.541 1.384 -0.381
128 HA2 GLY 15 HA2 GLY 15 12.910 2.151 1.749
129 HA3 GLY 15 HA3 GLY 15 13.859 3.625 1.536
130 H THR 16 H THR 16 12.054 3.101 -1.253
131 HA THR 16 HA THR 16 10.151 5.232 -0.861
132 HB THR 16 HB THR 16 10.159 2.925 -2.839
133 HG1 THR 16 HG1 THR 16 11.944 3.957 -3.032
134 HG21 THR 16 HG21 THR 16 8.898 4.430 -4.352
135 HG22 THR 16 HG22 THR 16 7.953 3.942 -2.956
136 HG23 THR 16 HG23 THR 16 8.676 5.573 -3.006
137 H VAL 17 H VAL 17 7.710 4.812 -1.018
138 HA VAL 17 HA VAL 17 6.851 2.564 0.685
139 HB VAL 17 HB VAL 17 6.518 5.493 1.353
140 HG11 VAL 17 HG11 VAL 17 4.223 4.639 1.491
141 HG12 VAL 17 HG12 VAL 17 4.779 3.236 2.438
142 HG13 VAL 17 HG13 VAL 17 4.884 4.881 3.104
143 HG21 VAL 17 HG21 VAL 17 8.391 4.198 2.385
144 HG22 VAL 17 HG22 VAL 17 7.204 4.702 3.594
145 HG23 VAL 17 HG23 VAL 17 7.203 3.022 3.010
146 H TYR 18 H TYR 18 4.725 2.009 0.422
147 HA TYR 18 HA TYR 18 2.956 3.251 -1.509
148 HB2 TYR 18 HB2 TYR 18 3.013 1.546 -3.167
149 HB3 TYR 18 HB3 TYR 18 4.620 2.186 -3.000
150 HD1 TYR 18 HD1 TYR 18 6.152 0.717 -1.189
151 HD2 TYR 18 HD2 TYR 18 2.883 -0.662 -3.620
152 HE1 TYR 18 HE1 TYR 18 7.099 -1.553 -1.147
153 HE2 TYR 18 HE2 TYR 18 3.839 -2.971 -3.584
154 HH TYR 18 HH TYR 18 5.571 -4.244 -2.944
155 H TYR 19 H TYR 19 1.287 1.007 -2.033
156 HA TYR 19 HA TYR 19 0.747 -0.185 0.598
157 HB2 TYR 19 HB2 TYR 19 -1.083 1.547 -1.044
158 HB3 TYR 19 HB3 TYR 19 -1.754 0.094 -0.333
159 HD1 TYR 19 HD1 TYR 19 0.354 3.068 0.687
160 HD2 TYR 19 HD2 TYR 19 -2.613 0.148 1.835
161 HE1 TYR 19 HE1 TYR 19 0.154 4.125 2.921
162 HE2 TYR 19 HE2 TYR 19 -2.944 1.337 3.993
163 HH TYR 19 HH TYR 19 -2.543 3.741 4.875
164 H PHE 20 H PHE 20 -0.159 -2.173 0.493
165 HA PHE 20 HA PHE 20 -0.022 -3.624 -2.106
166 HB2 PHE 20 HB2 PHE 20 2.102 -3.631 -0.860
167 HB3 PHE 20 HB3 PHE 20 1.294 -4.283 0.559
168 HD1 PHE 20 HD1 PHE 20 2.455 -5.013 -2.878
169 HD2 PHE 20 HD2 PHE 20 0.612 -6.640 0.654
170 HE1 PHE 20 HE1 PHE 20 2.785 -7.315 -3.768
171 HE2 PHE 20 HE2 PHE 20 1.026 -8.952 -0.205
172 HZ PHE 20 HZ PHE 20 2.089 -9.279 -2.416
173 H ASN 21 H ASN 21 -1.679 -4.967 -2.390
174 HA ASN 21 HA ASN 21 -3.586 -5.402 -0.177
175 HB2 ASN 21 HB2 ASN 21 -4.370 -4.684 -2.481
176 HB3 ASN 21 HB3 ASN 21 -3.812 -6.224 -3.070
177 HD21 ASN 21 HD22 ASN 21 -6.408 -4.552 -1.390
178 HD22 ASN 21 HD21 ASN 21 -7.322 -6.013 -1.060
179 H HIS 22 H HIS 22 -2.589 -6.920 1.215
180 HA HIS 22 HA HIS 22 -1.212 -9.216 0.022
181 HB2 HIS 22 HB2 HIS 22 -0.893 -9.976 2.337
182 HB3 HIS 22 HB3 HIS 22 -0.310 -8.360 2.024
183 HD2 HIS 22 HD2 HIS 22 -0.972 -6.538 3.653
184 HE1 HIS 22 HE1 HIS 22 -3.785 -8.727 5.968
185 HE2 HIS 22 HE2 HIS 22 -2.228 -6.657 5.913
186 H ILE 23 H ILE 23 -4.448 -8.692 0.084
187 HA ILE 23 HA ILE 23 -5.184 -11.521 0.593
188 HB ILE 23 HB ILE 23 -6.602 -8.883 0.253
189 HG12 ILE 23 HG12 ILE 23 -6.586 -11.121 2.329
190 HG13 ILE 23 HG13 ILE 23 -5.868 -9.522 2.481
191 HG21 ILE 23 HG21 ILE 23 -7.851 -10.349 -1.234
192 HG22 ILE 23 HG22 ILE 23 -8.034 -11.542 0.080
193 HG23 ILE 23 HG23 ILE 23 -8.773 -9.917 0.201
194 HD11 ILE 23 HD11 ILE 23 -8.813 -10.257 2.525
195 HD12 ILE 23 HD12 ILE 23 -7.841 -9.505 3.798
196 HD13 ILE 23 HD13 ILE 23 -8.258 -8.581 2.339
197 H THR 24 H THR 24 -4.588 -9.286 -2.004
198 HA THR 24 HA THR 24 -5.216 -11.405 -4.056
199 HB THR 24 HB THR 24 -5.456 -9.533 -5.656
200 HG1 THR 24 HG1 THR 24 -5.295 -7.924 -3.344
201 HG21 THR 24 HG21 THR 24 -7.181 -9.052 -3.185
202 HG22 THR 24 HG22 THR 24 -7.536 -8.576 -4.853
203 HG23 THR 24 HG23 THR 24 -7.490 -10.298 -4.416
204 H ASN 25 H ASN 25 -2.710 -9.375 -2.867
205 HA ASN 25 HA ASN 25 -0.502 -9.261 -3.136
206 HB2 ASN 25 HB2 ASN 25 -0.639 -10.838 -5.731
207 HB3 ASN 25 HB3 ASN 25 0.805 -10.363 -4.857
208 HD21 ASN 25 HD22 ASN 25 -1.955 -12.517 -4.833
209 HD22 ASN 25 HD21 ASN 25 -1.269 -13.622 -3.621
210 H ALA 26 H ALA 26 -2.811 -7.632 -4.705
211 HA ALA 26 HA ALA 26 -1.364 -6.297 -6.788
212 HB1 ALA 26 HB1 ALA 26 -3.857 -6.340 -6.516
213 HB2 ALA 26 HB2 ALA 26 -3.687 -5.251 -5.119
214 HB3 ALA 26 HB3 ALA 26 -3.203 -4.705 -6.731
215 H SER 27 H SER 27 -0.769 -3.939 -6.813
216 HA SER 27 HA SER 27 0.057 -2.760 -4.220
217 HB2 SER 27 HB2 SER 27 2.181 -2.016 -5.298
218 HB3 SER 27 HB3 SER 27 2.092 -3.727 -4.903
219 HG SER 27 HG SER 27 1.407 -2.666 -7.460
220 H GLN 28 H GLN 28 -0.070 -0.543 -4.146
221 HA GLN 28 HA GLN 28 -0.282 1.079 -6.587
222 HB2 GLN 28 HB2 GLN 28 -2.653 0.365 -5.993
223 HB3 GLN 28 HB3 GLN 28 -2.428 1.121 -4.409
224 HG2 GLN 28 HG2 GLN 28 -1.961 3.313 -5.666
225 HG3 GLN 28 HG3 GLN 28 -2.430 2.474 -7.148
226 HE21 GLN 28 HE22 GLN 28 -3.624 3.367 -3.792
227 HE22 GLN 28 HE21 GLN 28 -5.281 3.482 -4.411
228 H PHE 29 H PHE 29 0.505 3.280 -6.089
229 HA PHE 29 HA PHE 29 1.912 3.406 -3.513
230 HB2 PHE 29 HB2 PHE 29 1.908 5.230 -5.908
231 HB3 PHE 29 HB3 PHE 29 2.789 5.542 -4.424
232 HD1 PHE 29 HD2 PHE 29 2.779 1.939 -5.596
233 HD2 PHE 29 HD1 PHE 29 4.850 5.759 -5.676
234 HE1 PHE 29 HE2 PHE 29 4.646 0.919 -6.738
235 HE2 PHE 29 HE1 PHE 29 6.795 4.643 -6.710
236 HZ PHE 29 HZ PHE 29 6.694 2.228 -7.278
237 H GLU 30 H GLU 30 -1.048 4.886 -4.842
238 HA GLU 30 HA GLU 30 -1.286 6.702 -2.573
239 HB2 GLU 30 HB2 GLU 30 -2.617 6.413 -5.046
240 HB3 GLU 30 HB3 GLU 30 -3.841 6.034 -3.857
241 HG2 GLU 30 HG2 GLU 30 -2.168 8.578 -3.965
242 HG3 GLU 30 HG3 GLU 30 -3.844 8.413 -4.495
243 H ARG 31 H ARG 31 -2.748 6.512 -0.936
244 HA ARG 31 HA ARG 31 -2.712 3.792 0.239
245 HB2 ARG 31 HB2 ARG 31 -3.781 6.129 1.786
246 HB3 ARG 31 HB3 ARG 31 -2.901 4.759 2.335
247 HG2 ARG 31 HG2 ARG 31 -0.974 5.894 2.341
248 HG3 ARG 31 HG3 ARG 31 -1.116 6.371 0.668
249 HD2 ARG 31 HD2 ARG 31 -2.324 7.734 3.128
250 HD3 ARG 31 HD3 ARG 31 -0.979 8.324 2.150
251 HE ARG 31 HE ARG 31 -2.593 8.573 0.236
252 HH11 ARG 31 HH21 ARG 31 -4.417 8.063 3.302
253 HH12 ARG 31 HH22 ARG 31 -5.785 8.729 2.438
254 HH21 ARG 31 HH11 ARG 31 -4.521 9.240 -0.513
255 HH22 ARG 31 HH12 ARG 31 -5.851 9.350 0.675
256 HA PRO 32 HA PRO 32 -7.244 3.251 -0.088
257 HB2 PRO 32 HB2 PRO 32 -6.272 0.927 1.612
258 HB3 PRO 32 HB3 PRO 32 -7.708 1.008 0.538
259 HG2 PRO 32 HG2 PRO 32 -5.695 0.094 -0.683
260 HG3 PRO 32 HG3 PRO 32 -6.303 1.501 -1.364
261 HD2 PRO 32 HD2 PRO 32 -3.996 1.489 0.594
262 HD3 PRO 32 HD3 PRO 32 -4.033 2.210 -1.047
263 H SER 33 H SER 33 -5.262 3.205 2.834
264 HA SER 33 HA SER 33 -7.341 3.852 4.744
265 HB2 SER 33 HB2 SER 33 -5.508 4.251 6.278
266 HB3 SER 33 HB3 SER 33 -5.196 2.753 5.376
267 HG SER 33 HG SER 33 -4.278 5.312 4.639
268 H GLY 34 H GLY 34 -8.403 5.438 3.505
269 HA2 GLY 34 HA2 GLY 34 -9.120 7.722 3.603
270 HA3 GLY 34 HA3 GLY 34 -7.451 8.245 3.837
271 H1 NAG 101 H1 NAG 35 11.264 1.938 -4.590
272 H2 NAG 101 H2 NAG 35 12.175 2.891 -7.361
273 H3 NAG 101 H3 NAG 35 9.329 2.374 -6.357
274 H4 NAG 101 H4 NAG 35 10.998 0.843 -8.426
275 H5 NAG 101 H5 NAG 35 10.016 0.084 -5.654
276 H61 NAG 101 H61 NAG 35 9.992 -1.953 -7.010
277 H62 NAG 101 H62 NAG 35 11.581 -1.554 -7.695
278 H81 NAG 101 H2M NAG 35 11.989 6.761 -5.438
279 H82 NAG 101 H3M NAG 35 10.210 6.706 -5.466
280 H83 NAG 101 H1M NAG 35 11.099 7.467 -6.804
281 HN2 NAG 101 H2N NAG 35 11.244 4.345 -5.028
282 HO3 NAG 101 H3O NAG 35 10.159 3.961 -8.289
283 HO4 NAG 101 H4O NAG 35 8.670 1.197 -8.590
284 HO6 NAG 101 H6O NAG 35 12.304 -1.509 -5.416
Start of MODEL 9
1 H1 LYS 1 H1 LYS 1 -6.821 5.537 -0.479
2 H2 LYS 1 H2 LYS 1 -7.692 6.807 0.015
3 H3 LYS 1 H3 LYS 1 -7.649 6.378 -1.597
4 HA LYS 1 HA LYS 1 -8.713 4.715 0.602
5 HB2 LYS 1 HB2 LYS 1 -9.995 6.864 0.422
6 HB3 LYS 1 HB3 LYS 1 -10.403 6.447 -1.229
7 HG2 LYS 1 HG2 LYS 1 -12.215 5.947 0.358
8 HG3 LYS 1 HG3 LYS 1 -11.670 4.516 -0.497
9 HD2 LYS 1 HD2 LYS 1 -12.181 3.988 1.781
10 HD3 LYS 1 HD3 LYS 1 -10.475 3.717 1.520
11 HE2 LYS 1 HE2 LYS 1 -11.480 6.331 2.738
12 HE3 LYS 1 HE3 LYS 1 -11.378 4.855 3.703
13 HZ1 LYS 1 HZ1 LYS 1 -8.985 4.728 2.926
14 HZ2 LYS 1 HZ2 LYS 1 -9.097 6.302 2.475
15 HZ3 LYS 1 HZ3 LYS 1 -9.306 5.852 4.041
16 H LEU 2 H LEU 2 -8.722 2.670 0.068
17 HA LEU 2 HA LEU 2 -10.052 1.671 -2.172
18 HB2 LEU 2 HB2 LEU 2 -7.348 0.396 -2.035
19 HB3 LEU 2 HB3 LEU 2 -8.564 0.229 -3.158
20 HG LEU 2 HG LEU 2 -8.322 2.429 -4.151
21 HD11 LEU 2 HD11 LEU 2 -5.472 2.411 -3.119
22 HD12 LEU 2 HD12 LEU 2 -6.298 3.636 -4.097
23 HD13 LEU 2 HD13 LEU 2 -6.703 3.457 -2.390
24 HD21 LEU 2 HD21 LEU 2 -6.422 1.632 -5.533
25 HD22 LEU 2 HD22 LEU 2 -6.022 0.434 -4.280
26 HD23 LEU 2 HD23 LEU 2 -7.560 0.332 -5.174
27 HA PRO 3 HA PRO 3 -11.632 -1.228 0.570
28 HB2 PRO 3 HB2 PRO 3 -10.250 -3.459 -0.946
29 HB3 PRO 3 HB3 PRO 3 -11.985 -3.390 -0.449
30 HG2 PRO 3 HG2 PRO 3 -11.336 -2.844 -2.975
31 HG3 PRO 3 HG3 PRO 3 -12.387 -1.652 -2.115
32 HD2 PRO 3 HD2 PRO 3 -9.341 -1.592 -2.399
33 HD3 PRO 3 HD3 PRO 3 -10.510 -0.301 -2.794
34 HA PRO 4 HA PRO 4 -9.287 -3.367 3.810
35 HB2 PRO 4 HB2 PRO 4 -11.441 -5.470 3.487
36 HB3 PRO 4 HB3 PRO 4 -10.793 -4.751 4.996
37 HG2 PRO 4 HG2 PRO 4 -13.180 -3.929 4.014
38 HG3 PRO 4 HG3 PRO 4 -12.004 -2.722 4.632
39 HD2 PRO 4 HD2 PRO 4 -12.561 -3.511 1.768
40 HD3 PRO 4 HD3 PRO 4 -12.338 -1.880 2.473
41 H GLY 5 H GLY 5 -7.666 -4.951 3.732
42 HA2 GLY 5 HA2 GLY 5 -6.722 -7.048 2.706
43 HA3 GLY 5 HA3 GLY 5 -7.471 -6.543 1.200
44 H TRP 6 H TRP 6 -6.842 -3.575 1.214
45 HA TRP 6 HA TRP 6 -4.014 -3.696 0.630
46 HB2 TRP 6 HB2 TRP 6 -5.957 -1.486 1.096
47 HB3 TRP 6 HB3 TRP 6 -4.319 -1.282 0.489
48 HD1 TRP 6 HD1 TRP 6 -7.706 -1.746 -0.796
49 HE1 TRP 6 HE1 TRP 6 -7.635 -1.862 -3.313
50 HE3 TRP 6 HE3 TRP 6 -2.745 -2.072 -1.359
51 HZ2 TRP 6 HZ2 TRP 6 -5.652 -2.351 -5.397
52 HZ3 TRP 6 HZ3 TRP 6 -1.763 -2.039 -3.557
53 HH2 TRP 6 HH2 TRP 6 -3.166 -2.286 -5.642
54 H GLU 7 H GLU 7 -2.261 -3.140 1.766
55 HA GLU 7 HA GLU 7 -2.469 -1.630 4.295
56 HB2 GLU 7 HB2 GLU 7 -2.767 -4.090 4.774
57 HB3 GLU 7 HB3 GLU 7 -1.143 -4.377 4.196
58 HG2 GLU 7 HG2 GLU 7 -1.897 -2.554 6.526
59 HG3 GLU 7 HG3 GLU 7 -1.488 -4.258 6.701
60 H LYS 8 H LYS 8 -0.301 -0.829 5.005
61 HA LYS 8 HA LYS 8 1.008 0.437 2.789
62 HB2 LYS 8 HB2 LYS 8 0.646 1.695 4.697
63 HB3 LYS 8 HB3 LYS 8 1.168 0.472 5.806
64 HG2 LYS 8 HG2 LYS 8 3.077 1.934 3.938
65 HG3 LYS 8 HG3 LYS 8 2.602 2.546 5.515
66 HD2 LYS 8 HD2 LYS 8 4.347 0.137 4.943
67 HD3 LYS 8 HD3 LYS 8 4.710 1.606 5.794
68 HE2 LYS 8 HE2 LYS 8 4.568 0.099 7.503
69 HE3 LYS 8 HE3 LYS 8 2.984 0.869 7.580
70 HZ1 LYS 8 HZ1 LYS 8 3.242 -1.748 7.623
71 HZ2 LYS 8 HZ2 LYS 8 1.965 -1.120 6.838
72 HZ3 LYS 8 HZ3 LYS 8 3.215 -1.582 5.968
73 H ARG 9 H ARG 9 3.007 0.164 1.884
74 HA ARG 9 HA ARG 9 4.664 -2.144 2.796
75 HB2 ARG 9 HB2 ARG 9 2.858 -2.541 0.895
76 HB3 ARG 9 HB3 ARG 9 3.976 -1.673 -0.119
77 HG2 ARG 9 HG2 ARG 9 4.272 -4.049 -0.393
78 HG3 ARG 9 HG3 ARG 9 5.720 -3.405 0.340
79 HD2 ARG 9 HD2 ARG 9 5.049 -5.575 1.338
80 HD3 ARG 9 HD3 ARG 9 5.082 -4.283 2.539
81 HE ARG 9 HE ARG 9 2.549 -5.138 1.198
82 HH11 ARG 9 HH11 ARG 9 4.115 -4.870 4.394
83 HH12 ARG 9 HH12 ARG 9 2.521 -4.429 5.077
84 HH21 ARG 9 HH21 ARG 9 0.660 -4.420 2.397
85 HH22 ARG 9 HH22 ARG 9 0.907 -4.405 4.146
86 H MET 10 H MET 10 6.925 -2.054 2.054
87 HA MET 10 HA MET 10 7.786 0.670 1.247
88 HB2 MET 10 HB2 MET 10 7.705 0.370 3.760
89 HB3 MET 10 HB3 MET 10 8.955 -0.867 3.580
90 HG2 MET 10 HG2 MET 10 10.373 0.927 2.421
91 HG3 MET 10 HG3 MET 10 9.156 2.092 2.857
92 HE1 MET 10 HE1 MET 10 10.439 3.707 4.257
93 HE2 MET 10 HE2 MET 10 11.627 3.271 5.504
94 HE3 MET 10 HE3 MET 10 11.939 2.872 3.803
95 H PHE 11 H PHE 11 9.405 0.751 -0.170
96 HA PHE 11 HA PHE 11 10.345 -1.725 -1.363
97 HB2 PHE 11 HB2 PHE 11 10.763 1.214 -1.943
98 HB3 PHE 11 HB3 PHE 11 11.485 -0.070 -2.899
99 HD1 PHE 11 HD2 PHE 11 9.906 -1.920 -3.830
100 HD2 PHE 11 HD1 PHE 11 8.506 1.959 -2.511
101 HE1 PHE 11 HE2 PHE 11 7.964 -2.072 -5.376
102 HE2 PHE 11 HE1 PHE 11 6.731 1.881 -4.205
103 HZ PHE 11 HZ PHE 11 6.427 -0.147 -5.604
104 H ARG 12 H ARG 12 11.739 -2.767 0.031
105 HA ARG 12 HA ARG 12 14.141 -1.621 1.140
106 HB2 ARG 12 HB2 ARG 12 13.511 -4.448 0.153
107 HB3 ARG 12 HB3 ARG 12 14.968 -4.027 1.049
108 HG2 ARG 12 HG2 ARG 12 12.147 -3.618 2.143
109 HG3 ARG 12 HG3 ARG 12 13.103 -5.073 2.416
110 HD2 ARG 12 HD2 ARG 12 14.781 -3.903 3.643
111 HD3 ARG 12 HD3 ARG 12 14.170 -2.324 3.170
112 HE ARG 12 HE ARG 12 13.136 -4.069 5.279
113 HH11 ARG 12 HH21 ARG 12 12.345 -1.325 3.268
114 HH12 ARG 12 HH22 ARG 12 11.314 -0.580 4.462
115 HH21 ARG 12 HH12 ARG 12 11.693 -3.155 6.756
116 HH22 ARG 12 HH11 ARG 12 10.910 -1.652 6.369
117 H SER 13 H SER 13 16.155 -1.396 0.299
118 HA SER 13 HA SER 13 17.862 -1.157 -1.187
119 HB2 SER 13 HB2 SER 13 16.212 -1.426 -3.674
120 HB3 SER 13 HB3 SER 13 17.936 -1.722 -3.415
121 HG SER 13 HG SER 13 15.707 -3.237 -2.608
122 H ASN 14 H ASN 14 14.834 0.635 -1.253
123 HA ASN 14 HA ASN 14 16.584 2.962 -1.682
124 HB2 ASN 14 HB2 ASN 14 15.373 4.051 -3.375
125 HB3 ASN 14 HB3 ASN 14 15.734 2.432 -3.945
126 HD21 ASN 14 HD21 ASN 14 14.086 2.661 -5.545
127 H GLY 15 H GLY 15 13.594 1.734 -0.296
128 HA2 GLY 15 HA2 GLY 15 12.883 2.349 1.830
129 HA3 GLY 15 HA3 GLY 15 13.754 3.877 1.748
130 H THR 16 H THR 16 12.020 3.365 -1.114
131 HA THR 16 HA THR 16 10.018 5.391 -0.675
132 HB THR 16 HB THR 16 10.165 3.150 -2.722
133 HG1 THR 16 HG1 THR 16 11.892 4.276 -2.856
134 HG21 THR 16 HG21 THR 16 8.862 4.657 -4.218
135 HG22 THR 16 HG22 THR 16 7.912 4.037 -2.882
136 HG23 THR 16 HG23 THR 16 8.529 5.712 -2.827
137 H VAL 17 H VAL 17 7.613 4.843 -0.922
138 HA VAL 17 HA VAL 17 6.798 2.517 0.680
139 HB VAL 17 HB VAL 17 6.294 5.406 1.420
140 HG11 VAL 17 HG11 VAL 17 4.023 4.490 1.368
141 HG12 VAL 17 HG12 VAL 17 4.552 3.057 2.284
142 HG13 VAL 17 HG13 VAL 17 4.560 4.665 3.036
143 HG21 VAL 17 HG21 VAL 17 8.129 4.127 2.533
144 HG22 VAL 17 HG22 VAL 17 6.848 4.560 3.672
145 HG23 VAL 17 HG23 VAL 17 6.931 2.900 3.040
146 H TYR 18 H TYR 18 4.726 1.885 0.263
147 HA TYR 18 HA TYR 18 2.955 3.161 -1.643
148 HB2 TYR 18 HB2 TYR 18 3.091 1.551 -3.365
149 HB3 TYR 18 HB3 TYR 18 4.692 2.148 -3.111
150 HD1 TYR 18 HD1 TYR 18 6.189 0.645 -1.420
151 HD2 TYR 18 HD2 TYR 18 2.814 -0.709 -3.745
152 HE1 TYR 18 HE1 TYR 18 7.128 -1.627 -1.414
153 HE2 TYR 18 HE2 TYR 18 3.768 -3.037 -3.712
154 HH TYR 18 HH TYR 18 6.953 -3.749 -2.344
155 H TYR 19 H TYR 19 1.411 0.770 -2.176
156 HA TYR 19 HA TYR 19 0.849 -0.380 0.479
157 HB2 TYR 19 HB2 TYR 19 -0.958 1.363 -1.174
158 HB3 TYR 19 HB3 TYR 19 -1.653 -0.051 -0.423
159 HD1 TYR 19 HD1 TYR 19 0.349 3.029 0.437
160 HD2 TYR 19 HD2 TYR 19 -2.355 -0.046 1.791
161 HE1 TYR 19 HE1 TYR 19 -0.025 4.284 2.557
162 HE2 TYR 19 HE2 TYR 19 -2.754 1.213 3.882
163 HH TYR 19 HH TYR 19 -2.495 3.246 4.920
164 H PHE 20 H PHE 20 -0.217 -2.312 0.382
165 HA PHE 20 HA PHE 20 -0.119 -3.773 -2.215
166 HB2 PHE 20 HB2 PHE 20 1.982 -3.897 -0.940
167 HB3 PHE 20 HB3 PHE 20 1.097 -4.463 0.465
168 HD1 PHE 20 HD2 PHE 20 2.240 -5.357 -2.944
169 HD2 PHE 20 HD1 PHE 20 0.410 -6.801 0.692
170 HE1 PHE 20 HE2 PHE 20 2.455 -7.702 -3.754
171 HE2 PHE 20 HE1 PHE 20 0.720 -9.137 -0.092
172 HZ PHE 20 HZ PHE 20 1.702 -9.588 -2.311
173 H ASN 21 H ASN 21 -1.849 -5.050 -2.482
174 HA ASN 21 HA ASN 21 -3.782 -5.400 -0.293
175 HB2 ASN 21 HB2 ASN 21 -4.425 -4.826 -2.690
176 HB3 ASN 21 HB3 ASN 21 -3.986 -6.478 -3.095
177 HD21 ASN 21 HD22 ASN 21 -6.580 -4.489 -2.010
178 HD22 ASN 21 HD21 ASN 21 -7.540 -5.811 -1.367
179 H HIS 22 H HIS 22 -3.058 -6.826 1.239
180 HA HIS 22 HA HIS 22 -1.437 -9.136 0.468
181 HB2 HIS 22 HB2 HIS 22 -1.438 -9.688 2.822
182 HB3 HIS 22 HB3 HIS 22 -1.066 -7.990 2.589
183 HD2 HIS 22 HD2 HIS 22 -2.506 -6.262 3.878
184 HE1 HIS 22 HE1 HIS 22 -5.550 -8.864 5.340
185 HE2 HIS 22 HE2 HIS 22 -4.607 -6.485 5.448
186 H ILE 23 H ILE 23 -4.776 -8.614 0.309
187 HA ILE 23 HA ILE 23 -5.485 -11.462 0.646
188 HB ILE 23 HB ILE 23 -7.016 -8.883 0.248
189 HG12 ILE 23 HG12 ILE 23 -7.007 -11.079 2.359
190 HG13 ILE 23 HG13 ILE 23 -6.294 -9.475 2.498
191 HG21 ILE 23 HG21 ILE 23 -8.246 -11.646 0.063
192 HG22 ILE 23 HG22 ILE 23 -9.109 -10.082 0.125
193 HG23 ILE 23 HG23 ILE 23 -8.108 -10.464 -1.265
194 HD11 ILE 23 HD11 ILE 23 -8.641 -8.508 2.243
195 HD12 ILE 23 HD12 ILE 23 -9.246 -10.170 2.426
196 HD13 ILE 23 HD13 ILE 23 -8.318 -9.421 3.732
197 H THR 24 H THR 24 -5.070 -9.090 -2.031
198 HA THR 24 HA THR 24 -5.552 -11.332 -3.960
199 HB THR 24 HB THR 24 -5.879 -9.683 -5.646
200 HG1 THR 24 HG1 THR 24 -5.856 -7.469 -5.046
201 HG21 THR 24 HG21 THR 24 -7.390 -8.734 -3.177
202 HG22 THR 24 HG22 THR 24 -7.877 -8.552 -4.876
203 HG23 THR 24 HG23 THR 24 -7.821 -10.163 -4.141
204 H ASN 25 H ASN 25 -3.000 -9.340 -2.838
205 HA ASN 25 HA ASN 25 -0.786 -9.352 -3.109
206 HB2 ASN 25 HB2 ASN 25 -0.988 -11.013 -5.645
207 HB3 ASN 25 HB3 ASN 25 0.467 -10.587 -4.764
208 HD21 ASN 25 HD22 ASN 25 -2.431 -12.563 -4.687
209 HD22 ASN 25 HD21 ASN 25 -1.824 -13.662 -3.427
210 H ALA 26 H ALA 26 -3.009 -7.691 -4.751
211 HA ALA 26 HA ALA 26 -1.493 -6.458 -6.858
212 HB1 ALA 26 HB1 ALA 26 -3.821 -5.358 -5.226
213 HB2 ALA 26 HB2 ALA 26 -3.282 -4.779 -6.813
214 HB3 ALA 26 HB3 ALA 26 -3.973 -6.406 -6.661
215 H SER 27 H SER 27 -0.792 -4.142 -6.926
216 HA SER 27 HA SER 27 0.061 -2.948 -4.338
217 HB2 SER 27 HB2 SER 27 2.150 -2.213 -5.454
218 HB3 SER 27 HB3 SER 27 2.061 -3.934 -5.112
219 HG SER 27 HG SER 27 1.342 -2.768 -7.618
220 H GLN 28 H GLN 28 -0.012 -0.721 -4.256
221 HA GLN 28 HA GLN 28 -0.387 0.888 -6.685
222 HB2 GLN 28 HB2 GLN 28 -2.597 0.237 -4.900
223 HB3 GLN 28 HB3 GLN 28 -2.185 1.914 -4.643
224 HG2 GLN 28 HG2 GLN 28 -2.715 0.709 -7.396
225 HG3 GLN 28 HG3 GLN 28 -3.950 1.448 -6.382
226 HE21 GLN 28 HE22 GLN 28 -4.131 2.845 -8.502
227 HE22 GLN 28 HE21 GLN 28 -3.085 4.256 -8.459
228 H PHE 29 H PHE 29 0.170 3.162 -6.179
229 HA PHE 29 HA PHE 29 1.845 3.415 -3.707
230 HB2 PHE 29 HB2 PHE 29 1.828 5.015 -6.257
231 HB3 PHE 29 HB3 PHE 29 2.595 5.551 -4.773
232 HD1 PHE 29 HD1 PHE 29 2.831 1.869 -5.789
233 HD2 PHE 29 HD2 PHE 29 4.799 5.746 -5.670
234 HE1 PHE 29 HE1 PHE 29 4.832 0.898 -6.717
235 HE2 PHE 29 HE2 PHE 29 6.859 4.685 -6.511
236 HZ PHE 29 HZ PHE 29 6.880 2.267 -7.075
237 H GLU 30 H GLU 30 -1.234 4.302 -5.125
238 HA GLU 30 HA GLU 30 -1.849 6.456 -3.307
239 HB2 GLU 30 HB2 GLU 30 -3.102 5.372 -5.442
240 HB3 GLU 30 HB3 GLU 30 -3.995 4.541 -4.185
241 HG2 GLU 30 HG2 GLU 30 -3.745 7.526 -4.726
242 HG3 GLU 30 HG3 GLU 30 -5.185 6.528 -4.901
243 H ARG 31 H ARG 31 -3.004 6.303 -1.421
244 HA ARG 31 HA ARG 31 -2.385 3.944 0.293
245 HB2 ARG 31 HB2 ARG 31 -3.274 6.542 1.491
246 HB3 ARG 31 HB3 ARG 31 -2.336 5.284 2.183
247 HG2 ARG 31 HG2 ARG 31 -0.416 6.326 1.658
248 HG3 ARG 31 HG3 ARG 31 -0.768 6.307 -0.046
249 HD2 ARG 31 HD2 ARG 31 -1.443 8.409 2.000
250 HD3 ARG 31 HD3 ARG 31 -0.439 8.575 0.561
251 HE ARG 31 HE ARG 31 -2.594 8.330 -0.816
252 HH11 ARG 31 HH21 ARG 31 -3.169 9.361 2.578
253 HH12 ARG 31 HH22 ARG 31 -4.902 9.426 2.123
254 HH21 ARG 31 HH11 ARG 31 -4.639 8.529 -1.025
255 HH22 ARG 31 HH12 ARG 31 -5.645 9.086 0.368
256 HA PRO 32 HA PRO 32 -6.831 3.091 0.210
257 HB2 PRO 32 HB2 PRO 32 -5.532 0.761 1.640
258 HB3 PRO 32 HB3 PRO 32 -7.130 0.780 0.795
259 HG2 PRO 32 HG2 PRO 32 -5.328 0.179 -0.909
260 HG3 PRO 32 HG3 PRO 32 -6.065 1.648 -1.209
261 HD2 PRO 32 HD2 PRO 32 -3.475 1.541 0.250
262 HD3 PRO 32 HD3 PRO 32 -3.918 2.398 -1.261
263 H SER 33 H SER 33 -4.780 3.086 3.095
264 HA SER 33 HA SER 33 -6.681 3.238 5.119
265 HB2 SER 33 HB2 SER 33 -4.096 4.837 5.014
266 HB3 SER 33 HB3 SER 33 -4.985 4.355 6.468
267 HG SER 33 HG SER 33 -4.499 2.218 6.023
268 H GLY 34 H GLY 34 -5.429 6.030 3.204
269 HA2 GLY 34 HA2 GLY 34 -7.586 7.772 4.365
270 HA3 GLY 34 HA3 GLY 34 -5.947 8.330 4.050
271 H1 NAG 101 H1 NAG 35 11.319 2.314 -4.495
272 H2 NAG 101 H2 NAG 35 12.228 3.407 -7.216
273 H3 NAG 101 H3 NAG 35 9.398 2.765 -6.245
274 H4 NAG 101 H4 NAG 35 11.098 1.397 -8.395
275 H5 NAG 101 H5 NAG 35 10.131 0.408 -5.688
276 H61 NAG 101 H61 NAG 35 11.237 -1.659 -6.096
277 H62 NAG 101 H62 NAG 35 10.393 -1.351 -7.622
278 H81 NAG 101 H2M NAG 35 10.941 7.921 -6.465
279 H82 NAG 101 H3M NAG 35 11.889 7.210 -5.141
280 H83 NAG 101 H1M NAG 35 10.118 7.048 -5.155
281 HN2 NAG 101 H2N NAG 35 11.228 4.735 -4.832
282 HO3 NAG 101 H3O NAG 35 10.183 4.468 -8.104
283 HO4 NAG 101 H4O NAG 35 8.774 1.695 -8.542
284 HO6 NAG 101 H6O NAG 35 13.029 -0.433 -7.087
Start of MODEL 10
1 H1 LYS 1 H1 LYS 1 -8.029 5.562 -4.242
2 H2 LYS 1 H2 LYS 1 -8.659 6.880 -3.518
3 H3 LYS 1 H3 LYS 1 -9.662 5.775 -4.244
4 HA LYS 1 HA LYS 1 -7.937 5.073 -1.981
5 HB2 LYS 1 HB2 LYS 1 -9.416 6.870 -1.267
6 HB3 LYS 1 HB3 LYS 1 -10.832 6.043 -1.899
7 HG2 LYS 1 HG2 LYS 1 -9.130 4.668 0.197
8 HG3 LYS 1 HG3 LYS 1 -10.161 6.012 0.678
9 HD2 LYS 1 HD2 LYS 1 -12.138 4.851 -0.326
10 HD3 LYS 1 HD3 LYS 1 -11.143 3.426 -0.613
11 HE2 LYS 1 HE2 LYS 1 -11.663 4.711 2.107
12 HE3 LYS 1 HE3 LYS 1 -12.530 3.316 1.453
13 HZ1 LYS 1 HZ1 LYS 1 -10.335 2.156 1.345
14 HZ2 LYS 1 HZ2 LYS 1 -9.630 3.394 2.109
15 HZ3 LYS 1 HZ3 LYS 1 -10.792 2.538 2.892
16 H LEU 2 H LEU 2 -8.218 2.902 -1.309
17 HA LEU 2 HA LEU 2 -10.099 1.295 -2.842
18 HB2 LEU 2 HB2 LEU 2 -7.383 0.102 -2.474
19 HB3 LEU 2 HB3 LEU 2 -8.645 -0.289 -3.556
20 HG LEU 2 HG LEU 2 -8.324 1.825 -4.859
21 HD11 LEU 2 HD11 LEU 2 -6.601 2.956 -3.441
22 HD12 LEU 2 HD12 LEU 2 -5.542 1.526 -3.639
23 HD13 LEU 2 HD13 LEU 2 -5.976 2.507 -5.037
24 HD21 LEU 2 HD21 LEU 2 -7.804 -0.527 -5.594
25 HD22 LEU 2 HD22 LEU 2 -6.672 0.660 -6.247
26 HD23 LEU 2 HD23 LEU 2 -6.188 -0.332 -4.860
27 HA PRO 3 HA PRO 3 -11.622 -0.944 0.508
28 HB2 PRO 3 HB2 PRO 3 -10.383 -3.420 -0.732
29 HB3 PRO 3 HB3 PRO 3 -12.090 -3.224 -0.185
30 HG2 PRO 3 HG2 PRO 3 -11.548 -3.102 -2.772
31 HG3 PRO 3 HG3 PRO 3 -12.512 -1.739 -2.074
32 HD2 PRO 3 HD2 PRO 3 -9.473 -1.869 -2.452
33 HD3 PRO 3 HD3 PRO 3 -10.620 -0.632 -3.034
34 HA PRO 4 HA PRO 4 -9.228 -2.948 3.846
35 HB2 PRO 4 HB2 PRO 4 -11.494 -4.952 3.801
36 HB3 PRO 4 HB3 PRO 4 -10.747 -4.137 5.212
37 HG2 PRO 4 HG2 PRO 4 -13.135 -3.284 4.266
38 HG3 PRO 4 HG3 PRO 4 -11.875 -2.086 4.713
39 HD2 PRO 4 HD2 PRO 4 -12.602 -3.119 1.968
40 HD3 PRO 4 HD3 PRO 4 -12.290 -1.437 2.496
41 H GLY 5 H GLY 5 -7.691 -4.640 3.813
42 HA2 GLY 5 HA2 GLY 5 -6.916 -6.849 2.851
43 HA3 GLY 5 HA3 GLY 5 -7.705 -6.362 1.363
44 H TRP 6 H TRP 6 -6.972 -3.458 1.262
45 HA TRP 6 HA TRP 6 -4.172 -3.677 0.537
46 HB2 TRP 6 HB2 TRP 6 -6.132 -1.433 0.878
47 HB3 TRP 6 HB3 TRP 6 -4.526 -1.244 0.210
48 HD1 TRP 6 HD1 TRP 6 -7.911 -2.085 -0.963
49 HE1 TRP 6 HE1 TRP 6 -7.788 -2.098 -3.446
50 HE3 TRP 6 HE3 TRP 6 -2.918 -2.046 -1.502
51 HZ2 TRP 6 HZ2 TRP 6 -5.761 -2.799 -5.526
52 HZ3 TRP 6 HZ3 TRP 6 -1.917 -2.100 -3.682
53 HH2 TRP 6 HH2 TRP 6 -3.284 -2.578 -5.760
54 H GLU 7 H GLU 7 -2.427 -3.086 1.595
55 HA GLU 7 HA GLU 7 -2.563 -1.760 4.270
56 HB2 GLU 7 HB2 GLU 7 -2.622 -4.268 4.382
57 HB3 GLU 7 HB3 GLU 7 -1.089 -4.305 3.502
58 HG2 GLU 7 HG2 GLU 7 -0.016 -3.063 5.397
59 HG3 GLU 7 HG3 GLU 7 -1.565 -3.098 6.263
60 H LYS 8 H LYS 8 -0.729 -0.460 4.750
61 HA LYS 8 HA LYS 8 0.792 0.517 2.573
62 HB2 LYS 8 HB2 LYS 8 0.189 1.727 4.672
63 HB3 LYS 8 HB3 LYS 8 1.448 0.831 5.527
64 HG2 LYS 8 HG2 LYS 8 3.177 1.830 4.048
65 HG3 LYS 8 HG3 LYS 8 1.933 2.604 3.075
66 HD2 LYS 8 HD2 LYS 8 2.199 3.185 6.055
67 HD3 LYS 8 HD3 LYS 8 3.125 4.074 4.829
68 HE2 LYS 8 HE2 LYS 8 1.077 4.754 3.681
69 HE3 LYS 8 HE3 LYS 8 0.092 3.790 4.778
70 HZ1 LYS 8 HZ1 LYS 8 0.029 6.095 5.309
71 HZ2 LYS 8 HZ2 LYS 8 0.652 5.245 6.560
72 HZ3 LYS 8 HZ3 LYS 8 1.655 6.160 5.602
73 H ARG 9 H ARG 9 2.923 0.378 1.997
74 HA ARG 9 HA ARG 9 4.526 -1.905 3.019
75 HB2 ARG 9 HB2 ARG 9 2.698 -2.506 1.217
76 HB3 ARG 9 HB3 ARG 9 3.707 -1.622 0.090
77 HG2 ARG 9 HG2 ARG 9 4.145 -3.962 -0.134
78 HG3 ARG 9 HG3 ARG 9 5.563 -3.234 0.579
79 HD2 ARG 9 HD2 ARG 9 5.272 -5.219 1.786
80 HD3 ARG 9 HD3 ARG 9 4.679 -3.990 2.884
81 HE ARG 9 HE ARG 9 3.045 -5.936 1.309
82 HH11 ARG 9 HH11 ARG 9 2.637 -3.499 3.986
83 HH12 ARG 9 HH12 ARG 9 1.645 -4.712 4.786
84 HH21 ARG 9 HH21 ARG 9 1.540 -7.132 2.598
85 HH22 ARG 9 HH22 ARG 9 0.996 -6.304 4.078
86 H MET 10 H MET 10 6.770 -1.884 2.236
87 HA MET 10 HA MET 10 7.631 0.774 1.207
88 HB2 MET 10 HB2 MET 10 7.728 0.686 3.715
89 HB3 MET 10 HB3 MET 10 8.866 -0.661 3.574
90 HG2 MET 10 HG2 MET 10 10.243 0.975 2.052
91 HG3 MET 10 HG3 MET 10 9.250 2.233 2.736
92 HE1 MET 10 HE1 MET 10 8.831 1.633 5.738
93 HE2 MET 10 HE2 MET 10 10.280 2.380 6.447
94 HE3 MET 10 HE3 MET 10 9.442 3.179 5.099
95 H PHE 11 H PHE 11 9.120 0.756 -0.286
96 HA PHE 11 HA PHE 11 10.298 -1.692 -1.325
97 HB2 PHE 11 HB2 PHE 11 10.529 1.249 -1.995
98 HB3 PHE 11 HB3 PHE 11 11.328 -0.034 -2.900
99 HD1 PHE 11 HD1 PHE 11 9.730 -2.020 -3.696
100 HD2 PHE 11 HD2 PHE 11 8.352 1.950 -2.670
101 HE1 PHE 11 HE1 PHE 11 7.770 -2.305 -5.184
102 HE2 PHE 11 HE2 PHE 11 6.519 1.723 -4.310
103 HZ PHE 11 HZ PHE 11 6.201 -0.418 -5.530
104 H ARG 12 H ARG 12 11.684 -2.547 0.141
105 HA ARG 12 HA ARG 12 13.715 -1.091 1.557
106 HB2 ARG 12 HB2 ARG 12 13.857 -3.998 0.664
107 HB3 ARG 12 HB3 ARG 12 14.712 -3.239 2.005
108 HG2 ARG 12 HG2 ARG 12 11.777 -3.976 1.814
109 HG3 ARG 12 HG3 ARG 12 12.984 -4.510 2.980
110 HD2 ARG 12 HD2 ARG 12 13.067 -2.053 3.778
111 HD3 ARG 12 HD3 ARG 12 11.597 -1.795 2.834
112 HE ARG 12 HE ARG 12 11.869 -3.115 5.380
113 HH11 ARG 12 HH21 ARG 12 9.650 -3.053 2.580
114 HH12 ARG 12 HH22 ARG 12 8.512 -4.052 3.433
115 HH21 ARG 12 HH11 ARG 12 10.252 -4.200 6.397
116 HH22 ARG 12 HH12 ARG 12 8.765 -4.533 5.570
117 H SER 13 H SER 13 16.006 -1.129 1.160
118 HA SER 13 HA SER 13 17.776 -0.436 0.025
119 HB2 SER 13 HB2 SER 13 17.670 -2.635 -1.114
120 HB3 SER 13 HB3 SER 13 16.766 -1.868 -2.442
121 HG SER 13 HG SER 13 18.586 -0.279 -2.363
122 H ASN 14 H ASN 14 14.702 0.829 -0.944
123 HA ASN 14 HA ASN 14 16.298 3.171 -1.795
124 HB2 ASN 14 HB2 ASN 14 15.186 3.689 -3.716
125 HB3 ASN 14 HB3 ASN 14 15.432 1.957 -3.850
126 HD21 ASN 14 HD21 ASN 14 13.810 2.459 -5.579
127 H GLY 15 H GLY 15 13.407 2.018 -0.150
128 HA2 GLY 15 HA2 GLY 15 12.701 3.008 1.852
129 HA3 GLY 15 HA3 GLY 15 13.507 4.522 1.425
130 H THR 16 H THR 16 11.749 3.431 -1.267
131 HA THR 16 HA THR 16 9.674 5.469 -0.963
132 HB THR 16 HB THR 16 10.051 3.224 -2.974
133 HG1 THR 16 HG1 THR 16 11.571 4.990 -2.703
134 HG21 THR 16 HG21 THR 16 7.674 3.931 -3.100
135 HG22 THR 16 HG22 THR 16 8.188 5.635 -3.157
136 HG23 THR 16 HG23 THR 16 8.578 4.523 -4.484
137 H VAL 17 H VAL 17 7.349 4.844 -1.150
138 HA VAL 17 HA VAL 17 6.592 2.555 0.537
139 HB VAL 17 HB VAL 17 6.138 5.456 1.286
140 HG11 VAL 17 HG11 VAL 17 3.901 4.420 1.461
141 HG12 VAL 17 HG12 VAL 17 4.594 3.077 2.393
142 HG13 VAL 17 HG13 VAL 17 4.590 4.724 3.054
143 HG21 VAL 17 HG21 VAL 17 6.927 4.671 3.497
144 HG22 VAL 17 HG22 VAL 17 7.012 3.005 2.882
145 HG23 VAL 17 HG23 VAL 17 8.116 4.259 2.254
146 H TYR 18 H TYR 18 4.527 1.913 0.212
147 HA TYR 18 HA TYR 18 2.722 3.117 -1.753
148 HB2 TYR 18 HB2 TYR 18 2.945 1.484 -3.428
149 HB3 TYR 18 HB3 TYR 18 4.539 2.101 -3.136
150 HD1 TYR 18 HD2 TYR 18 5.996 0.631 -1.369
151 HD2 TYR 18 HD1 TYR 18 2.690 -0.791 -3.759
152 HE1 TYR 18 HE2 TYR 18 6.908 -1.677 -1.257
153 HE2 TYR 18 HE1 TYR 18 3.606 -3.103 -3.618
154 HH TYR 18 HH TYR 18 5.421 -4.393 -2.980
155 H TYR 19 H TYR 19 1.191 0.786 -2.298
156 HA TYR 19 HA TYR 19 0.595 -0.365 0.351
157 HB2 TYR 19 HB2 TYR 19 -1.109 1.358 -1.369
158 HB3 TYR 19 HB3 TYR 19 -1.850 -0.152 -0.917
159 HD1 TYR 19 HD2 TYR 19 -0.030 2.726 0.574
160 HD2 TYR 19 HD1 TYR 19 -2.850 -0.425 1.159
161 HE1 TYR 19 HE2 TYR 19 -0.756 3.769 2.743
162 HE2 TYR 19 HE1 TYR 19 -3.591 0.572 3.320
163 HH TYR 19 HH TYR 19 -2.313 3.738 4.490
164 H PHE 20 H PHE 20 -0.302 -2.352 0.306
165 HA PHE 20 HA PHE 20 -0.176 -3.897 -2.233
166 HB2 PHE 20 HB2 PHE 20 1.904 -3.937 -0.909
167 HB3 PHE 20 HB3 PHE 20 1.021 -4.524 0.493
168 HD1 PHE 20 HD2 PHE 20 2.388 -5.380 -2.816
169 HD2 PHE 20 HD1 PHE 20 0.167 -6.853 0.568
170 HE1 PHE 20 HE2 PHE 20 2.674 -7.714 -3.640
171 HE2 PHE 20 HE1 PHE 20 0.538 -9.196 -0.220
172 HZ PHE 20 HZ PHE 20 1.759 -9.615 -2.328
173 H ASN 21 H ASN 21 -1.885 -5.187 -2.499
174 HA ASN 21 HA ASN 21 -3.866 -5.457 -0.314
175 HB2 ASN 21 HB2 ASN 21 -4.546 -4.803 -2.670
176 HB3 ASN 21 HB3 ASN 21 -4.032 -6.381 -3.186
177 HD21 ASN 21 HD22 ASN 21 -6.641 -4.554 -1.717
178 HD22 ASN 21 HD21 ASN 21 -7.608 -5.977 -1.362
179 H HIS 22 H HIS 22 -2.976 -6.980 1.163
180 HA HIS 22 HA HIS 22 -1.700 -9.383 0.050
181 HB2 HIS 22 HB2 HIS 22 -1.418 -10.088 2.377
182 HB3 HIS 22 HB3 HIS 22 -0.750 -8.514 2.023
183 HD2 HIS 22 HD2 HIS 22 -1.373 -6.573 3.540
184 HE1 HIS 22 HE1 HIS 22 -4.153 -8.611 6.027
185 HE2 HIS 22 HE2 HIS 22 -2.572 -6.574 5.837
186 H ILE 23 H ILE 23 -4.898 -8.657 0.077
187 HA ILE 23 HA ILE 23 -5.828 -11.404 0.672
188 HB ILE 23 HB ILE 23 -7.074 -8.715 0.097
189 HG12 ILE 23 HG12 ILE 23 -7.255 -10.773 2.336
190 HG13 ILE 23 HG13 ILE 23 -6.477 -9.195 2.389
191 HG21 ILE 23 HG21 ILE 23 -8.333 -10.227 -1.336
192 HG22 ILE 23 HG22 ILE 23 -8.637 -11.303 0.054
193 HG23 ILE 23 HG23 ILE 23 -9.290 -9.639 0.019
194 HD11 ILE 23 HD11 ILE 23 -8.499 -8.968 3.603
195 HD12 ILE 23 HD12 ILE 23 -8.831 -8.183 2.048
196 HD13 ILE 23 HD13 ILE 23 -9.448 -9.815 2.372
197 H THR 24 H THR 24 -4.994 -9.352 -2.022
198 HA THR 24 HA THR 24 -5.651 -11.537 -3.990
199 HB THR 24 HB THR 24 -5.749 -9.735 -5.683
200 HG1 THR 24 HG1 THR 24 -5.582 -8.030 -3.440
201 HG21 THR 24 HG21 THR 24 -7.856 -10.350 -4.478
202 HG22 THR 24 HG22 THR 24 -7.532 -9.053 -3.303
203 HG23 THR 24 HG23 THR 24 -7.811 -8.653 -5.006
204 H ASN 25 H ASN 25 -3.096 -9.566 -2.820
205 HA ASN 25 HA ASN 25 -0.874 -9.556 -3.017
206 HB2 ASN 25 HB2 ASN 25 -1.002 -11.238 -5.545
207 HB3 ASN 25 HB3 ASN 25 0.435 -10.783 -4.650
208 HD21 ASN 25 HD22 ASN 25 -2.410 -12.821 -4.612
209 HD22 ASN 25 HD21 ASN 25 -1.804 -13.898 -3.334
210 H ALA 26 H ALA 26 -3.054 -7.896 -4.723
211 HA ALA 26 HA ALA 26 -1.474 -6.700 -6.801
212 HB1 ALA 26 HB1 ALA 26 -3.267 -5.058 -6.891
213 HB2 ALA 26 HB2 ALA 26 -3.975 -6.663 -6.635
214 HB3 ALA 26 HB3 ALA 26 -3.833 -5.521 -5.278
215 H SER 27 H SER 27 -0.893 -4.319 -6.888
216 HA SER 27 HA SER 27 -0.065 -3.059 -4.327
217 HB2 SER 27 HB2 SER 27 2.033 -2.331 -5.429
218 HB3 SER 27 HB3 SER 27 1.963 -4.036 -5.016
219 HG SER 27 HG SER 27 1.262 -3.000 -7.582
220 H GLN 28 H GLN 28 -0.205 -0.814 -4.347
221 HA GLN 28 HA GLN 28 -0.448 0.642 -6.876
222 HB2 GLN 28 HB2 GLN 28 -2.819 0.060 -5.453
223 HB3 GLN 28 HB3 GLN 28 -2.393 1.656 -4.879
224 HG2 GLN 28 HG2 GLN 28 -2.846 0.810 -7.773
225 HG3 GLN 28 HG3 GLN 28 -3.952 1.736 -6.767
226 HE21 GLN 28 HE22 GLN 28 -3.951 4.071 -7.251
227 HE22 GLN 28 HE21 GLN 28 -2.490 4.743 -7.952
228 H PHE 29 H PHE 29 0.126 2.926 -6.524
229 HA PHE 29 HA PHE 29 1.759 3.294 -4.060
230 HB2 PHE 29 HB2 PHE 29 1.698 4.730 -6.700
231 HB3 PHE 29 HB3 PHE 29 2.493 5.389 -5.282
232 HD1 PHE 29 HD2 PHE 29 2.661 1.635 -5.956
233 HD2 PHE 29 HD1 PHE 29 4.679 5.478 -6.242
234 HE1 PHE 29 HE2 PHE 29 4.654 0.543 -6.764
235 HE2 PHE 29 HE1 PHE 29 6.732 4.305 -6.951
236 HZ PHE 29 HZ PHE 29 6.722 1.839 -7.247
237 H GLU 30 H GLU 30 -1.410 4.291 -5.249
238 HA GLU 30 HA GLU 30 -1.562 6.529 -3.369
239 HB2 GLU 30 HB2 GLU 30 -3.822 6.707 -3.890
240 HB3 GLU 30 HB3 GLU 30 -3.057 6.249 -5.409
241 HG2 GLU 30 HG2 GLU 30 -3.732 3.834 -4.878
242 HG3 GLU 30 HG3 GLU 30 -4.632 4.464 -3.496
243 H ARG 31 H ARG 31 -2.802 6.460 -1.384
244 HA ARG 31 HA ARG 31 -2.467 3.901 0.054
245 HB2 ARG 31 HB2 ARG 31 -2.848 6.712 1.146
246 HB3 ARG 31 HB3 ARG 31 -2.657 5.228 2.072
247 HG2 ARG 31 HG2 ARG 31 -0.495 5.926 2.130
248 HG3 ARG 31 HG3 ARG 31 -0.438 4.924 0.691
249 HD2 ARG 31 HD2 ARG 31 -1.117 7.532 -0.191
250 HD3 ARG 31 HD3 ARG 31 0.117 7.732 1.054
251 HE ARG 31 HE ARG 31 0.391 6.279 -1.554
252 HH11 ARG 31 HH11 ARG 31 2.148 7.278 1.323
253 HH12 ARG 31 HH12 ARG 31 3.669 6.776 0.610
254 HH21 ARG 31 HH21 ARG 31 2.161 5.707 -2.313
255 HH22 ARG 31 HH22 ARG 31 3.682 5.657 -1.431
256 HA PRO 32 HA PRO 32 -7.036 3.120 -0.139
257 HB2 PRO 32 HB2 PRO 32 -5.603 0.849 1.233
258 HB3 PRO 32 HB3 PRO 32 -7.233 0.808 0.461
259 HG2 PRO 32 HG2 PRO 32 -5.453 0.204 -1.246
260 HG3 PRO 32 HG3 PRO 32 -6.319 1.636 -1.600
261 HD2 PRO 32 HD2 PRO 32 -3.589 1.722 -0.370
262 HD3 PRO 32 HD3 PRO 32 -4.253 2.621 -1.761
263 H SER 33 H SER 33 -4.839 3.145 2.663
264 HA SER 33 HA SER 33 -7.061 4.152 4.389
265 HB2 SER 33 HB2 SER 33 -6.678 1.749 4.800
266 HB3 SER 33 HB3 SER 33 -4.981 2.090 5.197
267 HG SER 33 HG SER 33 -5.873 3.644 6.725
268 H GLY 34 H GLY 34 -4.678 5.547 3.002
269 HA2 GLY 34 HA2 GLY 34 -3.493 7.489 3.597
270 HA3 GLY 34 HA3 GLY 34 -3.856 7.200 5.296
271 H1 NAG 101 H1 NAG 35 11.032 2.144 -4.549
272 H2 NAG 101 H2 NAG 35 12.023 3.115 -7.288
273 H3 NAG 101 H3 NAG 35 9.156 2.537 -6.397
274 H4 NAG 101 H4 NAG 35 10.943 1.079 -8.416
275 H5 NAG 101 H5 NAG 35 9.838 0.238 -5.713
276 H61 NAG 101 H61 NAG 35 9.948 -1.784 -7.053
277 H62 NAG 101 H62 NAG 35 11.505 -1.294 -7.750
278 H81 NAG 101 H2M NAG 35 10.790 7.667 -6.790
279 H82 NAG 101 H3M NAG 35 11.662 7.007 -5.390
280 H83 NAG 101 H1M NAG 35 9.888 6.877 -5.479
281 HN2 NAG 101 H2N NAG 35 10.995 4.559 -4.993
282 HO3 NAG 101 H3O NAG 35 10.024 4.161 -8.292
283 HO4 NAG 101 H4O NAG 35 8.621 1.382 -8.701
284 HO6 NAG 101 H6O NAG 35 12.172 -1.184 -5.416
Start of MODEL 11
1 H1 LYS 1 H1 LYS 1 -11.108 1.022 4.848
2 H2 LYS 1 H2 LYS 1 -12.156 -0.248 4.691
3 H3 LYS 1 H3 LYS 1 -12.362 0.901 5.871
4 HA LYS 1 HA LYS 1 -13.956 1.331 4.135
5 HB2 LYS 1 HB2 LYS 1 -11.640 3.301 4.009
6 HB3 LYS 1 HB3 LYS 1 -13.291 3.619 3.482
7 HG2 LYS 1 HG2 LYS 1 -14.115 3.508 5.764
8 HG3 LYS 1 HG3 LYS 1 -12.570 2.925 6.361
9 HD2 LYS 1 HD2 LYS 1 -11.846 5.315 5.059
10 HD3 LYS 1 HD3 LYS 1 -13.435 5.680 5.722
11 HE2 LYS 1 HE2 LYS 1 -11.868 6.326 7.383
12 HE3 LYS 1 HE3 LYS 1 -12.587 4.819 7.966
13 HZ1 LYS 1 HZ1 LYS 1 -9.938 5.060 6.604
14 HZ2 LYS 1 HZ2 LYS 1 -10.176 4.753 8.207
15 HZ3 LYS 1 HZ3 LYS 1 -10.589 3.655 7.042
16 H LEU 2 H LEU 2 -10.603 1.544 2.866
17 HA LEU 2 HA LEU 2 -11.149 1.177 0.025
18 HB2 LEU 2 HB2 LEU 2 -8.779 1.150 1.708
19 HB3 LEU 2 HB3 LEU 2 -8.822 1.015 -0.055
20 HG LEU 2 HG LEU 2 -10.657 3.163 0.519
21 HD11 LEU 2 HD11 LEU 2 -9.883 3.730 2.576
22 HD12 LEU 2 HD12 LEU 2 -8.229 3.313 2.222
23 HD13 LEU 2 HD13 LEU 2 -8.960 4.798 1.514
24 HD21 LEU 2 HD21 LEU 2 -9.427 2.861 -1.539
25 HD22 LEU 2 HD22 LEU 2 -9.300 4.493 -0.864
26 HD23 LEU 2 HD23 LEU 2 -7.948 3.369 -0.727
27 HA PRO 3 HA PRO 3 -11.921 -2.882 -0.489
28 HB2 PRO 3 HB2 PRO 3 -9.401 -3.173 -2.159
29 HB3 PRO 3 HB3 PRO 3 -11.046 -3.764 -2.537
30 HG2 PRO 3 HG2 PRO 3 -10.201 -1.476 -3.655
31 HG3 PRO 3 HG3 PRO 3 -11.849 -1.552 -2.945
32 HD2 PRO 3 HD2 PRO 3 -9.363 -0.330 -1.775
33 HD3 PRO 3 HD3 PRO 3 -10.977 0.295 -1.731
34 HA PRO 4 HA PRO 4 -10.177 -5.378 2.467
35 HB2 PRO 4 HB2 PRO 4 -10.639 -7.996 1.658
36 HB3 PRO 4 HB3 PRO 4 -11.889 -6.869 2.266
37 HG2 PRO 4 HG2 PRO 4 -11.168 -7.487 -0.610
38 HG3 PRO 4 HG3 PRO 4 -12.799 -7.386 0.130
39 HD2 PRO 4 HD2 PRO 4 -11.772 -5.324 -1.257
40 HD3 PRO 4 HD3 PRO 4 -12.693 -5.017 0.244
41 H GLY 5 H GLY 5 -8.156 -5.600 2.985
42 HA2 GLY 5 HA2 GLY 5 -6.107 -6.970 2.801
43 HA3 GLY 5 HA3 GLY 5 -6.236 -6.833 1.080
44 H TRP 6 H TRP 6 -6.926 -3.575 1.535
45 HA TRP 6 HA TRP 6 -4.182 -3.128 0.811
46 HB2 TRP 6 HB2 TRP 6 -6.266 -1.051 1.494
47 HB3 TRP 6 HB3 TRP 6 -4.718 -0.711 0.891
48 HD1 TRP 6 HD1 TRP 6 -7.981 -1.117 -0.248
49 HE1 TRP 6 HE1 TRP 6 -7.926 -0.843 -2.814
50 HE3 TRP 6 HE3 TRP 6 -3.046 -1.817 -1.094
51 HZ2 TRP 6 HZ2 TRP 6 -6.120 -1.496 -5.000
52 HZ3 TRP 6 HZ3 TRP 6 -2.145 -1.745 -3.378
53 HH2 TRP 6 HH2 TRP 6 -3.659 -1.736 -5.359
54 H GLU 7 H GLU 7 -2.416 -2.652 1.811
55 HA GLU 7 HA GLU 7 -2.448 -1.069 4.296
56 HB2 GLU 7 HB2 GLU 7 -2.585 -3.627 4.777
57 HB3 GLU 7 HB3 GLU 7 -0.893 -3.678 4.312
58 HG2 GLU 7 HG2 GLU 7 -2.057 -1.859 6.481
59 HG3 GLU 7 HG3 GLU 7 -1.466 -3.485 6.795
60 H LYS 8 H LYS 8 -0.448 -0.104 4.812
61 HA LYS 8 HA LYS 8 1.015 0.942 2.577
62 HB2 LYS 8 HB2 LYS 8 0.559 2.383 4.325
63 HB3 LYS 8 HB3 LYS 8 1.014 1.288 5.579
64 HG2 LYS 8 HG2 LYS 8 3.028 2.527 3.657
65 HG3 LYS 8 HG3 LYS 8 2.465 3.334 5.114
66 HD2 LYS 8 HD2 LYS 8 4.235 0.884 4.955
67 HD3 LYS 8 HD3 LYS 8 4.547 2.450 5.637
68 HE2 LYS 8 HE2 LYS 8 4.305 1.150 7.505
69 HE3 LYS 8 HE3 LYS 8 2.731 1.939 7.403
70 HZ1 LYS 8 HZ1 LYS 8 2.929 -0.651 7.780
71 HZ2 LYS 8 HZ2 LYS 8 1.722 -0.117 6.829
72 HZ3 LYS 8 HZ3 LYS 8 3.025 -0.693 6.118
73 H ARG 9 H ARG 9 2.938 0.448 1.717
74 HA ARG 9 HA ARG 9 4.521 -1.798 2.891
75 HB2 ARG 9 HB2 ARG 9 2.662 -2.333 1.078
76 HB3 ARG 9 HB3 ARG 9 3.791 -1.607 -0.042
77 HG2 ARG 9 HG2 ARG 9 4.274 -3.829 -0.263
78 HG3 ARG 9 HG3 ARG 9 5.494 -3.397 0.910
79 HD2 ARG 9 HD2 ARG 9 2.843 -4.832 1.411
80 HD3 ARG 9 HD3 ARG 9 4.434 -5.550 1.400
81 HE ARG 9 HE ARG 9 4.918 -4.626 3.510
82 HH11 ARG 9 HH11 ARG 9 1.528 -3.665 2.686
83 HH12 ARG 9 HH12 ARG 9 1.294 -3.405 4.423
84 HH21 ARG 9 HH21 ARG 9 4.190 -4.249 5.670
85 HH22 ARG 9 HH22 ARG 9 2.521 -3.642 5.803
86 H MET 10 H MET 10 6.761 -1.918 1.995
87 HA MET 10 HA MET 10 7.731 0.707 0.997
88 HB2 MET 10 HB2 MET 10 7.785 0.546 3.529
89 HB3 MET 10 HB3 MET 10 8.932 -0.792 3.347
90 HG2 MET 10 HG2 MET 10 10.372 0.826 1.971
91 HG3 MET 10 HG3 MET 10 9.296 2.104 2.473
92 HE1 MET 10 HE1 MET 10 9.322 3.299 4.704
93 HE2 MET 10 HE2 MET 10 8.616 1.831 5.424
94 HE3 MET 10 HE3 MET 10 10.006 2.626 6.199
95 H PHE 11 H PHE 11 9.496 0.668 -0.298
96 HA PHE 11 HA PHE 11 10.348 -1.929 -1.356
97 HB2 PHE 11 HB2 PHE 11 10.815 0.944 -2.152
98 HB3 PHE 11 HB3 PHE 11 11.494 -0.431 -3.008
99 HD1 PHE 11 HD1 PHE 11 9.838 -2.307 -3.766
100 HD2 PHE 11 HD2 PHE 11 8.564 1.709 -2.755
101 HE1 PHE 11 HE1 PHE 11 7.889 -2.521 -5.291
102 HE2 PHE 11 HE2 PHE 11 6.770 1.542 -4.421
103 HZ PHE 11 HZ PHE 11 6.397 -0.582 -5.656
104 H ARG 12 H ARG 12 11.701 -2.882 0.058
105 HA ARG 12 HA ARG 12 13.981 -1.922 1.343
106 HB2 ARG 12 HB2 ARG 12 14.865 -4.248 1.101
107 HB3 ARG 12 HB3 ARG 12 13.206 -4.156 1.663
108 HG2 ARG 12 HG2 ARG 12 13.098 -5.922 0.186
109 HG3 ARG 12 HG3 ARG 12 12.499 -4.604 -0.795
110 HD2 ARG 12 HD2 ARG 12 15.076 -4.476 -1.584
111 HD3 ARG 12 HD3 ARG 12 15.120 -6.099 -0.935
112 HE ARG 12 HE ARG 12 13.868 -6.847 -2.728
113 HH11 ARG 12 HH11 ARG 12 13.650 -3.305 -2.784
114 HH12 ARG 12 HH12 ARG 12 12.873 -3.319 -4.356
115 HH21 ARG 12 HH21 ARG 12 12.866 -6.723 -4.755
116 HH22 ARG 12 HH22 ARG 12 12.456 -5.150 -5.384
117 H SER 13 H SER 13 16.157 -1.697 0.801
118 HA SER 13 HA SER 13 17.963 -1.097 -0.324
119 HB2 SER 13 HB2 SER 13 18.542 -1.866 -2.484
120 HB3 SER 13 HB3 SER 13 17.667 -3.163 -1.652
121 HG SER 13 HG SER 13 15.746 -2.177 -2.753
122 H ASN 14 H ASN 14 14.959 0.419 -1.210
123 HA ASN 14 HA ASN 14 16.689 2.755 -1.779
124 HB2 ASN 14 HB2 ASN 14 15.576 3.537 -3.657
125 HB3 ASN 14 HB3 ASN 14 15.920 1.844 -3.969
126 HD21 ASN 14 HD21 ASN 14 14.323 2.019 -5.676
127 H GLY 15 H GLY 15 13.672 1.612 -0.338
128 HA2 GLY 15 HA2 GLY 15 12.922 2.502 1.701
129 HA3 GLY 15 HA3 GLY 15 13.812 4.000 1.416
130 H THR 16 H THR 16 12.128 3.132 -1.382
131 HA THR 16 HA THR 16 10.157 5.237 -1.227
132 HB THR 16 HB THR 16 10.284 2.796 -3.032
133 HG1 THR 16 HG1 THR 16 12.066 3.841 -3.225
134 HG21 THR 16 HG21 THR 16 8.071 3.771 -3.293
135 HG22 THR 16 HG22 THR 16 8.772 5.403 -3.443
136 HG23 THR 16 HG23 THR 16 9.050 4.168 -4.691
137 H VAL 17 H VAL 17 7.759 4.751 -1.413
138 HA VAL 17 HA VAL 17 6.847 2.575 0.333
139 HB VAL 17 HB VAL 17 6.565 5.513 0.989
140 HG11 VAL 17 HG11 VAL 17 4.659 3.340 1.962
141 HG12 VAL 17 HG12 VAL 17 4.807 4.970 2.648
142 HG13 VAL 17 HG13 VAL 17 4.228 4.775 0.998
143 HG21 VAL 17 HG21 VAL 17 7.035 3.004 2.665
144 HG22 VAL 17 HG22 VAL 17 8.310 4.132 2.117
145 HG23 VAL 17 HG23 VAL 17 7.078 4.679 3.262
146 H TYR 18 H TYR 18 4.725 2.064 0.029
147 HA TYR 18 HA TYR 18 3.026 3.299 -1.969
148 HB2 TYR 18 HB2 TYR 18 3.107 1.570 -3.590
149 HB3 TYR 18 HB3 TYR 18 4.731 2.120 -3.357
150 HD1 TYR 18 HD1 TYR 18 6.138 0.662 -1.519
151 HD2 TYR 18 HD2 TYR 18 2.771 -0.702 -3.863
152 HE1 TYR 18 HE1 TYR 18 6.983 -1.645 -1.358
153 HE2 TYR 18 HE2 TYR 18 3.643 -3.048 -3.679
154 HH TYR 18 HH TYR 18 6.722 -3.801 -2.086
155 H TYR 19 H TYR 19 1.344 1.029 -2.392
156 HA TYR 19 HA TYR 19 0.772 -0.037 0.306
157 HB2 TYR 19 HB2 TYR 19 -0.948 1.692 -1.400
158 HB3 TYR 19 HB3 TYR 19 -1.706 0.211 -0.873
159 HD1 TYR 19 HD1 TYR 19 0.316 3.034 0.497
160 HD2 TYR 19 HD2 TYR 19 -2.673 0.052 1.252
161 HE1 TYR 19 HE1 TYR 19 -0.337 4.200 2.651
162 HE2 TYR 19 HE2 TYR 19 -3.388 1.248 3.308
163 HH TYR 19 HH TYR 19 -3.374 3.589 3.985
164 H PHE 20 H PHE 20 -0.276 -1.962 0.332
165 HA PHE 20 HA PHE 20 -0.182 -3.597 -2.161
166 HB2 PHE 20 HB2 PHE 20 1.873 -3.631 -0.809
167 HB3 PHE 20 HB3 PHE 20 0.958 -4.165 0.595
168 HD1 PHE 20 HD1 PHE 20 2.132 -5.130 -2.802
169 HD2 PHE 20 HD2 PHE 20 0.429 -6.491 0.907
170 HE1 PHE 20 HE1 PHE 20 2.458 -7.491 -3.522
171 HE2 PHE 20 HE2 PHE 20 0.829 -8.858 0.215
172 HZ PHE 20 HZ PHE 20 1.819 -9.351 -2.000
173 H ASN 21 H ASN 21 -1.863 -4.882 -2.382
174 HA ASN 21 HA ASN 21 -3.862 -5.064 -0.217
175 HB2 ASN 21 HB2 ASN 21 -4.578 -4.561 -2.563
176 HB3 ASN 21 HB3 ASN 21 -3.952 -6.139 -3.034
177 HD21 ASN 21 HD22 ASN 21 -6.668 -4.437 -1.540
178 HD22 ASN 21 HD21 ASN 21 -7.469 -5.937 -1.048
179 H HIS 22 H HIS 22 -2.980 -6.436 1.357
180 HA HIS 22 HA HIS 22 -1.403 -8.757 0.633
181 HB2 HIS 22 HB2 HIS 22 -1.368 -9.211 3.052
182 HB3 HIS 22 HB3 HIS 22 -0.904 -7.570 2.646
183 HD2 HIS 22 HD2 HIS 22 -1.818 -5.860 4.275
184 HE1 HIS 22 HE1 HIS 22 -5.436 -7.771 5.461
185 HE2 HIS 22 HE2 HIS 22 -3.961 -5.706 5.794
186 H ILE 23 H ILE 23 -4.660 -8.502 0.214
187 HA ILE 23 HA ILE 23 -5.204 -11.344 0.954
188 HB ILE 23 HB ILE 23 -6.821 -8.847 0.591
189 HG12 ILE 23 HG12 ILE 23 -6.711 -11.123 2.631
190 HG13 ILE 23 HG13 ILE 23 -6.024 -9.514 2.814
191 HG21 ILE 23 HG21 ILE 23 -8.921 -9.977 0.529
192 HG22 ILE 23 HG22 ILE 23 -7.986 -10.354 -0.906
193 HG23 ILE 23 HG23 ILE 23 -8.112 -11.569 0.398
194 HD11 ILE 23 HD11 ILE 23 -8.377 -8.584 2.777
195 HD12 ILE 23 HD12 ILE 23 -8.969 -10.259 2.821
196 HD13 ILE 23 HD13 ILE 23 -7.993 -9.629 4.155
197 H THR 24 H THR 24 -4.900 -9.167 -1.754
198 HA THR 24 HA THR 24 -5.388 -11.422 -3.683
199 HB THR 24 HB THR 24 -5.597 -9.662 -5.394
200 HG1 THR 24 HG1 THR 24 -5.446 -7.889 -3.204
201 HG21 THR 24 HG21 THR 24 -7.674 -8.610 -4.678
202 HG22 THR 24 HG22 THR 24 -7.661 -10.309 -4.157
203 HG23 THR 24 HG23 THR 24 -7.353 -9.010 -2.981
204 H ASN 25 H ASN 25 -2.889 -9.289 -2.536
205 HA ASN 25 HA ASN 25 -0.689 -9.204 -2.791
206 HB2 ASN 25 HB2 ASN 25 -0.776 -10.970 -5.259
207 HB3 ASN 25 HB3 ASN 25 0.645 -10.441 -4.379
208 HD21 ASN 25 HD22 ASN 25 -2.123 -12.585 -4.286
209 HD22 ASN 25 HD21 ASN 25 -1.467 -13.613 -2.992
210 H ALA 26 H ALA 26 -3.003 -7.722 -4.489
211 HA ALA 26 HA ALA 26 -1.543 -6.533 -6.656
212 HB1 ALA 26 HB1 ALA 26 -4.050 -6.549 -6.378
213 HB2 ALA 26 HB2 ALA 26 -3.861 -5.325 -5.097
214 HB3 ALA 26 HB3 ALA 26 -3.367 -4.954 -6.753
215 H SER 27 H SER 27 -1.050 -4.105 -6.774
216 HA SER 27 HA SER 27 -0.132 -2.854 -4.252
217 HB2 SER 27 HB2 SER 27 1.974 -2.182 -5.357
218 HB3 SER 27 HB3 SER 27 1.872 -3.880 -4.891
219 HG SER 27 HG SER 27 1.478 -4.401 -7.042
220 H GLN 28 H GLN 28 -0.004 -0.635 -4.374
221 HA GLN 28 HA GLN 28 -0.396 0.787 -6.908
222 HB2 GLN 28 HB2 GLN 28 -2.615 0.398 -5.072
223 HB3 GLN 28 HB3 GLN 28 -2.125 2.067 -4.954
224 HG2 GLN 28 HG2 GLN 28 -2.702 0.707 -7.620
225 HG3 GLN 28 HG3 GLN 28 -3.926 1.511 -6.645
226 HE21 GLN 28 HE22 GLN 28 -4.303 3.037 -8.485
227 HE22 GLN 28 HE21 GLN 28 -3.124 4.327 -8.667
228 H PHE 29 H PHE 29 0.339 3.015 -6.665
229 HA PHE 29 HA PHE 29 2.011 3.471 -4.228
230 HB2 PHE 29 HB2 PHE 29 2.078 4.757 -6.946
231 HB3 PHE 29 HB3 PHE 29 2.842 5.457 -5.529
232 HD1 PHE 29 HD2 PHE 29 2.911 1.679 -6.089
233 HD2 PHE 29 HD1 PHE 29 5.101 5.427 -6.322
234 HE1 PHE 29 HE2 PHE 29 4.882 0.498 -6.830
235 HE2 PHE 29 HE1 PHE 29 7.116 4.172 -6.969
236 HZ PHE 29 HZ PHE 29 7.018 1.710 -7.269
237 H GLU 30 H GLU 30 -1.048 4.294 -5.699
238 HA GLU 30 HA GLU 30 -1.456 6.570 -3.966
239 HB2 GLU 30 HB2 GLU 30 -2.666 6.370 -6.068
240 HB3 GLU 30 HB3 GLU 30 -3.546 4.964 -5.446
241 HG2 GLU 30 HG2 GLU 30 -4.771 7.207 -5.333
242 HG3 GLU 30 HG3 GLU 30 -4.675 6.317 -3.811
243 H ARG 31 H ARG 31 -2.384 6.628 -2.013
244 HA ARG 31 HA ARG 31 -1.932 4.140 -0.443
245 HB2 ARG 31 HB2 ARG 31 -1.814 7.087 0.285
246 HB3 ARG 31 HB3 ARG 31 -1.648 5.805 1.454
247 HG2 ARG 31 HG2 ARG 31 0.511 5.514 0.999
248 HG3 ARG 31 HG3 ARG 31 0.220 5.256 -0.709
249 HD2 ARG 31 HD2 ARG 31 0.360 8.059 0.491
250 HD3 ARG 31 HD3 ARG 31 1.805 7.149 0.067
251 HE ARG 31 HE ARG 31 1.157 7.086 -2.243
252 HH11 ARG 31 HH11 ARG 31 -1.252 8.900 -0.494
253 HH12 ARG 31 HH12 ARG 31 -2.135 9.026 -1.994
254 HH21 ARG 31 HH21 ARG 31 0.421 8.087 -4.017
255 HH22 ARG 31 HH22 ARG 31 -1.125 8.928 -3.914
256 HA PRO 32 HA PRO 32 -6.443 4.173 0.425
257 HB2 PRO 32 HB2 PRO 32 -5.373 1.668 1.654
258 HB3 PRO 32 HB3 PRO 32 -7.018 1.986 1.079
259 HG2 PRO 32 HG2 PRO 32 -5.683 0.782 -0.610
260 HG3 PRO 32 HG3 PRO 32 -6.347 2.156 -1.202
261 HD2 PRO 32 HD2 PRO 32 -3.453 2.020 -0.405
262 HD3 PRO 32 HD3 PRO 32 -4.237 2.927 -1.726
263 H SER 33 H SER 33 -7.037 5.375 1.973
264 HA SER 33 HA SER 33 -5.733 5.749 4.602
265 HB2 SER 33 HB2 SER 33 -8.201 7.028 3.370
266 HB3 SER 33 HB3 SER 33 -7.491 7.472 4.939
267 HG SER 33 HG SER 33 -5.909 7.418 2.593
268 H GLY 34 H GLY 34 -6.345 3.200 4.494
269 HA2 GLY 34 HA2 GLY 34 -7.281 1.436 5.607
270 HA3 GLY 34 HA3 GLY 34 -7.785 2.601 6.831
271 H1 NAG 101 H1 NAG 35 11.548 1.659 -4.657
272 H2 NAG 101 H2 NAG 35 12.441 2.480 -7.476
273 H3 NAG 101 H3 NAG 35 9.633 1.876 -6.408
274 H4 NAG 101 H4 NAG 35 11.364 0.338 -8.420
275 H5 NAG 101 H5 NAG 35 10.489 -0.351 -5.595
276 H61 NAG 101 H61 NAG 35 10.637 -2.491 -6.635
277 H62 NAG 101 H62 NAG 35 11.984 -1.974 -7.674
278 H81 NAG 101 H2M NAG 35 12.084 6.482 -5.889
279 H82 NAG 101 H3M NAG 35 10.310 6.343 -5.899
280 H83 NAG 101 H1M NAG 35 11.157 7.027 -7.305
281 HN2 NAG 101 H2N NAG 35 11.437 4.075 -5.268
282 HO3 NAG 101 H3O NAG 35 10.362 3.377 -8.467
283 HO4 NAG 101 H4O NAG 35 9.005 0.509 -8.536
284 HO6 NAG 101 H6O NAG 35 12.983 -1.445 -5.545
Start of MODEL 12
1 H1 LYS 1 H1 LYS 1 -9.876 6.668 1.079
2 H2 LYS 1 H2 LYS 1 -9.928 5.174 1.696
3 H3 LYS 1 H3 LYS 1 -11.267 5.751 0.967
4 HA LYS 1 HA LYS 1 -10.463 5.602 -1.144
5 HB2 LYS 1 HB2 LYS 1 -7.804 5.888 0.164
6 HB3 LYS 1 HB3 LYS 1 -7.834 5.026 -1.370
7 HG2 LYS 1 HG2 LYS 1 -9.028 6.757 -2.498
8 HG3 LYS 1 HG3 LYS 1 -9.279 7.673 -1.019
9 HD2 LYS 1 HD2 LYS 1 -6.498 7.146 -2.157
10 HD3 LYS 1 HD3 LYS 1 -7.509 8.511 -2.637
11 HE2 LYS 1 HE2 LYS 1 -6.580 9.638 -0.935
12 HE3 LYS 1 HE3 LYS 1 -7.716 8.735 0.073
13 HZ1 LYS 1 HZ1 LYS 1 -5.747 8.340 1.092
14 HZ2 LYS 1 HZ2 LYS 1 -5.834 7.016 0.195
15 HZ3 LYS 1 HZ3 LYS 1 -4.847 8.187 -0.378
16 H LEU 2 H LEU 2 -8.295 3.268 -1.441
17 HA LEU 2 HA LEU 2 -10.318 1.461 -1.910
18 HB2 LEU 2 HB2 LEU 2 -7.570 0.364 -1.811
19 HB3 LEU 2 HB3 LEU 2 -8.794 0.005 -2.840
20 HG LEU 2 HG LEU 2 -6.966 1.043 -3.994
21 HD11 LEU 2 HD11 LEU 2 -8.529 2.051 -5.610
22 HD12 LEU 2 HD12 LEU 2 -9.151 0.544 -4.923
23 HD13 LEU 2 HD13 LEU 2 -9.790 2.101 -4.350
24 HD21 LEU 2 HD21 LEU 2 -6.592 3.169 -2.694
25 HD22 LEU 2 HD22 LEU 2 -6.905 3.385 -4.422
26 HD23 LEU 2 HD23 LEU 2 -8.188 3.725 -3.290
27 HA PRO 3 HA PRO 3 -11.402 -1.146 1.240
28 HB2 PRO 3 HB2 PRO 3 -10.194 -3.452 -0.313
29 HB3 PRO 3 HB3 PRO 3 -11.838 -3.391 0.430
30 HG2 PRO 3 HG2 PRO 3 -11.608 -2.974 -2.179
31 HG3 PRO 3 HG3 PRO 3 -12.518 -1.730 -1.234
32 HD2 PRO 3 HD2 PRO 3 -9.556 -1.723 -1.979
33 HD3 PRO 3 HD3 PRO 3 -10.763 -0.459 -2.298
34 HA PRO 4 HA PRO 4 -8.681 -3.127 4.292
35 HB2 PRO 4 HB2 PRO 4 -10.854 -5.240 4.307
36 HB3 PRO 4 HB3 PRO 4 -10.028 -4.471 5.701
37 HG2 PRO 4 HG2 PRO 4 -12.510 -3.661 4.986
38 HG3 PRO 4 HG3 PRO 4 -11.260 -2.441 5.400
39 HD2 PRO 4 HD2 PRO 4 -12.174 -3.347 2.666
40 HD3 PRO 4 HD3 PRO 4 -11.853 -1.689 3.264
41 H GLY 5 H GLY 5 -7.072 -4.709 4.105
42 HA2 GLY 5 HA2 GLY 5 -6.227 -6.857 3.050
43 HA3 GLY 5 HA3 GLY 5 -7.129 -6.386 1.621
44 H TRP 6 H TRP 6 -6.636 -3.531 1.375
45 HA TRP 6 HA TRP 6 -3.853 -3.429 0.534
46 HB2 TRP 6 HB2 TRP 6 -5.971 -1.414 1.028
47 HB3 TRP 6 HB3 TRP 6 -4.463 -1.032 0.252
48 HD1 TRP 6 HD1 TRP 6 -7.849 -1.995 -0.703
49 HE1 TRP 6 HE1 TRP 6 -7.945 -1.945 -3.182
50 HE3 TRP 6 HE3 TRP 6 -2.867 -1.970 -1.636
51 HZ2 TRP 6 HZ2 TRP 6 -6.069 -2.174 -5.452
52 HZ3 TRP 6 HZ3 TRP 6 -2.046 -1.874 -3.918
53 HH2 TRP 6 HH2 TRP 6 -3.613 -2.019 -5.875
54 H GLU 7 H GLU 7 -2.160 -3.032 1.726
55 HA GLU 7 HA GLU 7 -2.319 -1.327 4.153
56 HB2 GLU 7 HB2 GLU 7 -2.745 -3.703 4.805
57 HB3 GLU 7 HB3 GLU 7 -1.145 -4.138 4.252
58 HG2 GLU 7 HG2 GLU 7 -1.665 -2.010 6.379
59 HG3 GLU 7 HG3 GLU 7 -1.579 -3.722 6.771
60 H LYS 8 H LYS 8 -0.319 -0.450 4.822
61 HA LYS 8 HA LYS 8 1.323 0.579 2.823
62 HB2 LYS 8 HB2 LYS 8 0.990 1.721 4.858
63 HB3 LYS 8 HB3 LYS 8 1.437 0.359 5.826
64 HG2 LYS 8 HG2 LYS 8 3.819 1.097 4.328
65 HG3 LYS 8 HG3 LYS 8 3.027 2.562 4.845
66 HD2 LYS 8 HD2 LYS 8 4.431 2.079 6.625
67 HD3 LYS 8 HD3 LYS 8 2.847 1.616 7.202
68 HE2 LYS 8 HE2 LYS 8 5.110 -0.219 6.299
69 HE3 LYS 8 HE3 LYS 8 4.577 0.084 7.949
70 HZ1 LYS 8 HZ1 LYS 8 3.158 -1.495 5.884
71 HZ2 LYS 8 HZ2 LYS 8 3.657 -1.982 7.358
72 HZ3 LYS 8 HZ3 LYS 8 2.344 -1.030 7.160
73 H ARG 9 H ARG 9 3.230 0.104 1.923
74 HA ARG 9 HA ARG 9 4.804 -2.237 2.877
75 HB2 ARG 9 HB2 ARG 9 3.004 -2.612 0.965
76 HB3 ARG 9 HB3 ARG 9 4.144 -1.782 -0.048
77 HG2 ARG 9 HG2 ARG 9 4.409 -4.144 -0.318
78 HG3 ARG 9 HG3 ARG 9 5.854 -3.552 0.478
79 HD2 ARG 9 HD2 ARG 9 5.069 -5.707 1.441
80 HD3 ARG 9 HD3 ARG 9 5.104 -4.416 2.644
81 HE ARG 9 HE ARG 9 2.586 -5.180 1.221
82 HH11 ARG 9 HH11 ARG 9 4.070 -4.969 4.461
83 HH12 ARG 9 HH12 ARG 9 2.476 -4.469 5.096
84 HH21 ARG 9 HH21 ARG 9 0.689 -4.374 2.378
85 HH22 ARG 9 HH22 ARG 9 0.891 -4.393 4.126
86 H MET 10 H MET 10 7.076 -2.167 2.160
87 HA MET 10 HA MET 10 7.969 0.549 1.330
88 HB2 MET 10 HB2 MET 10 7.886 0.280 3.839
89 HB3 MET 10 HB3 MET 10 9.071 -1.015 3.681
90 HG2 MET 10 HG2 MET 10 10.456 0.862 2.367
91 HG3 MET 10 HG3 MET 10 9.367 1.948 3.208
92 HE1 MET 10 HE1 MET 10 12.100 2.745 3.871
93 HE2 MET 10 HE2 MET 10 10.694 3.255 4.825
94 HE3 MET 10 HE3 MET 10 12.158 2.669 5.643
95 H PHE 11 H PHE 11 9.564 0.582 -0.111
96 HA PHE 11 HA PHE 11 10.319 -1.881 -1.359
97 HB2 PHE 11 HB2 PHE 11 10.748 1.046 -1.853
98 HB3 PHE 11 HB3 PHE 11 11.495 -0.163 -2.865
99 HD1 PHE 11 HD2 PHE 11 9.901 -2.109 -3.736
100 HD2 PHE 11 HD1 PHE 11 8.498 1.793 -2.495
101 HE1 PHE 11 HE2 PHE 11 8.016 -2.271 -5.325
102 HE2 PHE 11 HE1 PHE 11 6.722 1.671 -4.196
103 HZ PHE 11 HZ PHE 11 6.445 -0.390 -5.576
104 H ARG 12 H ARG 12 11.955 -3.097 -1.068
105 HA ARG 12 HA ARG 12 14.321 -2.522 0.423
106 HB2 ARG 12 HB2 ARG 12 13.927 -4.571 -1.800
107 HB3 ARG 12 HB3 ARG 12 15.196 -4.575 -0.584
108 HG2 ARG 12 HG2 ARG 12 12.240 -5.155 -0.172
109 HG3 ARG 12 HG3 ARG 12 13.609 -6.241 -0.006
110 HD2 ARG 12 HD2 ARG 12 13.124 -5.812 2.201
111 HD3 ARG 12 HD3 ARG 12 14.404 -4.630 1.892
112 HE ARG 12 HE ARG 12 11.578 -3.767 1.519
113 HH11 ARG 12 HH11 ARG 12 14.295 -3.631 3.739
114 HH12 ARG 12 HH12 ARG 12 13.634 -2.252 4.581
115 HH21 ARG 12 HH21 ARG 12 10.802 -2.119 2.569
116 HH22 ARG 12 HH22 ARG 12 11.660 -1.352 3.899
117 H SER 13 H SER 13 16.426 -2.251 -0.306
118 HA SER 13 HA SER 13 18.077 -1.186 -1.312
119 HB2 SER 13 HB2 SER 13 16.634 -1.658 -3.931
120 HB3 SER 13 HB3 SER 13 18.350 -1.281 -3.702
121 HG SER 13 HG SER 13 17.976 -3.534 -3.912
122 H ASN 14 H ASN 14 15.031 0.473 -1.270
123 HA ASN 14 HA ASN 14 16.759 2.861 -1.402
124 HB2 ASN 14 HB2 ASN 14 15.475 4.121 -2.992
125 HB3 ASN 14 HB3 ASN 14 16.041 2.632 -3.732
126 HD21 ASN 14 HD21 ASN 14 14.439 2.482 -5.341
127 H GLY 15 H GLY 15 13.716 1.482 -0.198
128 HA2 GLY 15 HA2 GLY 15 12.873 2.058 1.890
129 HA3 GLY 15 HA3 GLY 15 13.771 3.580 1.887
130 H THR 16 H THR 16 12.169 3.186 -1.067
131 HA THR 16 HA THR 16 10.156 5.198 -0.764
132 HB THR 16 HB THR 16 10.293 2.852 -2.692
133 HG1 THR 16 HG1 THR 16 12.051 3.941 -2.907
134 HG21 THR 16 HG21 THR 16 9.038 4.115 -4.280
135 HG22 THR 16 HG22 THR 16 8.053 3.879 -2.852
136 HG23 THR 16 HG23 THR 16 8.822 5.463 -3.130
137 H VAL 17 H VAL 17 7.731 4.721 -0.928
138 HA VAL 17 HA VAL 17 6.886 2.414 0.701
139 HB VAL 17 HB VAL 17 6.489 5.313 1.465
140 HG11 VAL 17 HG11 VAL 17 4.838 4.593 3.175
141 HG12 VAL 17 HG12 VAL 17 4.208 4.423 1.540
142 HG13 VAL 17 HG13 VAL 17 4.771 2.984 2.428
143 HG21 VAL 17 HG21 VAL 17 7.156 4.458 3.686
144 HG22 VAL 17 HG22 VAL 17 7.183 2.798 3.048
145 HG23 VAL 17 HG23 VAL 17 8.368 4.005 2.480
146 H TYR 18 H TYR 18 4.756 1.837 0.404
147 HA TYR 18 HA TYR 18 3.028 3.174 -1.509
148 HB2 TYR 18 HB2 TYR 18 3.040 1.490 -3.201
149 HB3 TYR 18 HB3 TYR 18 4.654 2.109 -3.026
150 HD1 TYR 18 HD1 TYR 18 6.196 0.602 -1.277
151 HD2 TYR 18 HD2 TYR 18 2.843 -0.754 -3.636
152 HE1 TYR 18 HE1 TYR 18 7.161 -1.647 -1.321
153 HE2 TYR 18 HE2 TYR 18 3.828 -3.061 -3.642
154 HH TYR 18 HH TYR 18 7.037 -3.735 -2.368
155 H TYR 19 H TYR 19 1.253 1.016 -2.070
156 HA TYR 19 HA TYR 19 0.748 -0.257 0.542
157 HB2 TYR 19 HB2 TYR 19 -1.042 1.568 -0.990
158 HB3 TYR 19 HB3 TYR 19 -1.750 0.036 -0.526
159 HD1 TYR 19 HD2 TYR 19 0.432 2.643 1.092
160 HD2 TYR 19 HD1 TYR 19 -2.942 0.013 1.474
161 HE1 TYR 19 HE2 TYR 19 0.020 3.469 3.428
162 HE2 TYR 19 HE1 TYR 19 -3.438 0.918 3.715
163 HH TYR 19 HH TYR 19 -2.847 2.524 5.288
164 H PHE 20 H PHE 20 -0.112 -2.223 0.421
165 HA PHE 20 HA PHE 20 -0.081 -3.666 -2.186
166 HB2 PHE 20 HB2 PHE 20 2.083 -3.760 -1.009
167 HB3 PHE 20 HB3 PHE 20 1.271 -4.305 0.441
168 HD1 PHE 20 HD1 PHE 20 2.377 -5.288 -2.942
169 HD2 PHE 20 HD2 PHE 20 0.494 -6.637 0.698
170 HE1 PHE 20 HE1 PHE 20 2.569 -7.642 -3.710
171 HE2 PHE 20 HE2 PHE 20 0.792 -8.990 -0.037
172 HZ PHE 20 HZ PHE 20 1.795 -9.492 -2.242
173 H ASN 21 H ASN 21 -1.829 -4.880 -2.389
174 HA ASN 21 HA ASN 21 -3.660 -5.264 -0.136
175 HB2 ASN 21 HB2 ASN 21 -4.358 -4.730 -2.525
176 HB3 ASN 21 HB3 ASN 21 -3.916 -6.386 -2.911
177 HD21 ASN 21 HD22 ASN 21 -6.558 -4.457 -2.002
178 HD22 ASN 21 HD21 ASN 21 -7.464 -5.742 -1.217
179 H HIS 22 H HIS 22 -2.864 -6.660 1.408
180 HA HIS 22 HA HIS 22 -1.267 -8.971 0.615
181 HB2 HIS 22 HB2 HIS 22 -1.182 -9.532 2.942
182 HB3 HIS 22 HB3 HIS 22 -0.870 -7.819 2.732
183 HD2 HIS 22 HD2 HIS 22 -2.381 -6.146 4.060
184 HE1 HIS 22 HE1 HIS 22 -5.104 -8.960 5.743
185 HE2 HIS 22 HE2 HIS 22 -4.330 -6.522 5.787
186 H ILE 23 H ILE 23 -4.588 -8.472 0.462
187 HA ILE 23 HA ILE 23 -5.297 -11.321 0.823
188 HB ILE 23 HB ILE 23 -6.820 -8.712 0.618
189 HG12 ILE 23 HG12 ILE 23 -6.612 -10.903 2.722
190 HG13 ILE 23 HG13 ILE 23 -5.879 -9.302 2.781
191 HG21 ILE 23 HG21 ILE 23 -8.110 -11.447 0.583
192 HG22 ILE 23 HG22 ILE 23 -8.923 -9.860 0.722
193 HG23 ILE 23 HG23 ILE 23 -8.085 -10.278 -0.764
194 HD11 ILE 23 HD11 ILE 23 -8.223 -8.315 2.780
195 HD12 ILE 23 HD12 ILE 23 -8.826 -9.972 3.023
196 HD13 ILE 23 HD13 ILE 23 -7.756 -9.236 4.224
197 H THR 24 H THR 24 -5.009 -8.889 -1.786
198 HA THR 24 HA THR 24 -5.601 -11.062 -3.780
199 HB THR 24 HB THR 24 -6.095 -9.370 -5.351
200 HG1 THR 24 HG1 THR 24 -6.035 -7.182 -4.768
201 HG21 THR 24 HG21 THR 24 -7.439 -8.495 -2.761
202 HG22 THR 24 HG22 THR 24 -8.053 -8.281 -4.415
203 HG23 THR 24 HG23 THR 24 -7.926 -9.909 -3.722
204 H ASN 25 H ASN 25 -3.034 -9.270 -2.621
205 HA ASN 25 HA ASN 25 -0.879 -9.007 -3.065
206 HB2 ASN 25 HB2 ASN 25 -1.123 -10.928 -5.387
207 HB3 ASN 25 HB3 ASN 25 0.360 -10.414 -4.581
208 HD21 ASN 25 HD22 ASN 25 -0.409 -10.655 -1.792
209 HD22 ASN 25 HD21 ASN 25 -0.737 -12.366 -1.574
210 H ALA 26 H ALA 26 -3.166 -7.535 -4.714
211 HA ALA 26 HA ALA 26 -1.718 -6.244 -6.834
212 HB1 ALA 26 HB1 ALA 26 -4.184 -6.143 -6.513
213 HB2 ALA 26 HB2 ALA 26 -3.938 -5.151 -5.053
214 HB3 ALA 26 HB3 ALA 26 -3.460 -4.530 -6.644
215 H SER 27 H SER 27 -0.912 -3.936 -6.838
216 HA SER 27 HA SER 27 -0.050 -2.793 -4.259
217 HB2 SER 27 HB2 SER 27 2.225 -2.339 -5.346
218 HB3 SER 27 HB3 SER 27 1.916 -3.892 -4.576
219 HG SER 27 HG SER 27 1.530 -4.765 -6.642
220 H GLN 28 H GLN 28 0.187 -0.655 -4.253
221 HA GLN 28 HA GLN 28 -0.191 0.991 -6.686
222 HB2 GLN 28 HB2 GLN 28 -2.442 0.104 -5.934
223 HB3 GLN 28 HB3 GLN 28 -2.162 0.845 -4.356
224 HG2 GLN 28 HG2 GLN 28 -2.041 3.087 -5.581
225 HG3 GLN 28 HG3 GLN 28 -2.547 2.229 -7.045
226 HE21 GLN 28 HE22 GLN 28 -3.494 2.966 -3.613
227 HE22 GLN 28 HE21 GLN 28 -5.217 2.755 -3.991
228 H PHE 29 H PHE 29 0.747 3.097 -6.306
229 HA PHE 29 HA PHE 29 2.070 3.446 -3.710
230 HB2 PHE 29 HB2 PHE 29 2.150 5.054 -6.253
231 HB3 PHE 29 HB3 PHE 29 2.976 5.507 -4.774
232 HD1 PHE 29 HD1 PHE 29 2.975 1.813 -5.650
233 HD2 PHE 29 HD2 PHE 29 5.117 5.589 -5.885
234 HE1 PHE 29 HE1 PHE 29 4.866 0.694 -6.640
235 HE2 PHE 29 HE2 PHE 29 7.077 4.382 -6.768
236 HZ PHE 29 HZ PHE 29 6.956 1.938 -7.193
237 H GLU 30 H GLU 30 -0.944 4.486 -5.057
238 HA GLU 30 HA GLU 30 -1.280 6.607 -3.082
239 HB2 GLU 30 HB2 GLU 30 -2.307 6.888 -5.252
240 HB3 GLU 30 HB3 GLU 30 -3.303 5.454 -4.995
241 HG2 GLU 30 HG2 GLU 30 -4.412 7.732 -4.578
242 HG3 GLU 30 HG3 GLU 30 -4.578 6.517 -3.313
243 H ARG 31 H ARG 31 -2.675 6.488 -1.264
244 HA ARG 31 HA ARG 31 -2.345 3.882 0.080
245 HB2 ARG 31 HB2 ARG 31 -2.638 6.763 0.992
246 HB3 ARG 31 HB3 ARG 31 -2.781 5.406 2.098
247 HG2 ARG 31 HG2 ARG 31 -0.636 5.296 2.367
248 HG3 ARG 31 HG3 ARG 31 -0.362 4.922 0.670
249 HD2 ARG 31 HD2 ARG 31 -0.574 7.777 1.716
250 HD3 ARG 31 HD3 ARG 31 0.911 6.847 1.839
251 HE ARG 31 HE ARG 31 1.101 6.715 -0.553
252 HH11 ARG 31 HH11 ARG 31 -1.539 8.888 0.356
253 HH12 ARG 31 HH12 ARG 31 -1.803 9.199 -1.353
254 HH21 ARG 31 HH21 ARG 31 0.739 7.461 -2.565
255 HH22 ARG 31 HH22 ARG 31 -0.541 8.679 -2.783
256 HA PRO 32 HA PRO 32 -6.882 3.128 0.129
257 HB2 PRO 32 HB2 PRO 32 -5.349 0.833 1.377
258 HB3 PRO 32 HB3 PRO 32 -7.014 0.780 0.715
259 HG2 PRO 32 HG2 PRO 32 -5.406 0.273 -1.182
260 HG3 PRO 32 HG3 PRO 32 -6.205 1.741 -1.385
261 HD2 PRO 32 HD2 PRO 32 -3.455 1.659 -0.202
262 HD3 PRO 32 HD3 PRO 32 -4.096 2.607 -1.574
263 H SER 33 H SER 33 -8.236 2.201 2.059
264 HA SER 33 HA SER 33 -9.268 2.617 3.949
265 HB2 SER 33 HB2 SER 33 -8.188 2.967 6.063
266 HB3 SER 33 HB3 SER 33 -7.388 1.684 5.147
267 HG SER 33 HG SER 33 -5.934 3.511 4.432
268 H GLY 34 H GLY 34 -6.915 5.273 4.336
269 HA2 GLY 34 HA2 GLY 34 -9.124 7.269 4.288
270 HA3 GLY 34 HA3 GLY 34 -7.461 7.536 4.826
271 H1 NAG 101 H1 NAG 35 11.754 1.756 -4.256
272 H2 NAG 101 H2 NAG 35 12.544 2.444 -7.124
273 H3 NAG 101 H3 NAG 35 9.903 1.277 -6.089
274 H4 NAG 101 H4 NAG 35 12.095 -0.057 -7.786
275 H5 NAG 101 H5 NAG 35 11.130 -0.497 -4.957
276 H61 NAG 101 H61 NAG 35 11.837 -2.664 -6.191
277 H62 NAG 101 H62 NAG 35 13.480 -2.014 -6.104
278 H81 NAG 101 H2M NAG 35 9.334 5.841 -6.110
279 H82 NAG 101 H3M NAG 35 10.454 6.613 -7.252
280 H83 NAG 101 H1M NAG 35 11.005 6.202 -5.615
281 HN2 NAG 101 H2N NAG 35 11.234 3.931 -5.046
282 HO3 NAG 101 H3O NAG 35 10.324 2.690 -8.227
283 HO4 NAG 101 H4O NAG 35 9.734 -0.382 -8.024
284 HO6 NAG 101 H6O NAG 35 13.319 -1.986 -3.801
Start of MODEL 13
1 H1 LYS 1 H1 LYS 1 -11.607 3.569 1.851
2 H2 LYS 1 H2 LYS 1 -10.967 5.088 1.944
3 H3 LYS 1 H3 LYS 1 -9.976 3.793 1.775
4 HA LYS 1 HA LYS 1 -11.922 4.766 -0.190
5 HB2 LYS 1 HB2 LYS 1 -8.903 4.722 -0.557
6 HB3 LYS 1 HB3 LYS 1 -10.144 5.363 -1.635
7 HG2 LYS 1 HG2 LYS 1 -10.705 6.903 0.463
8 HG3 LYS 1 HG3 LYS 1 -9.055 6.487 0.941
9 HD2 LYS 1 HD2 LYS 1 -9.984 7.861 -1.609
10 HD3 LYS 1 HD3 LYS 1 -9.102 8.606 -0.287
11 HE2 LYS 1 HE2 LYS 1 -7.956 6.434 -2.120
12 HE3 LYS 1 HE3 LYS 1 -7.775 8.173 -2.354
13 HZ1 LYS 1 HZ1 LYS 1 -5.888 7.780 -1.195
14 HZ2 LYS 1 HZ2 LYS 1 -6.870 8.049 0.097
15 HZ3 LYS 1 HZ3 LYS 1 -6.464 6.528 -0.308
16 H LEU 2 H LEU 2 -9.008 2.763 -0.885
17 HA LEU 2 HA LEU 2 -10.712 0.886 -2.229
18 HB2 LEU 2 HB2 LEU 2 -7.832 0.357 -1.891
19 HB3 LEU 2 HB3 LEU 2 -8.860 -0.204 -3.061
20 HG LEU 2 HG LEU 2 -9.257 1.721 -4.271
21 HD11 LEU 2 HD11 LEU 2 -7.612 3.628 -4.138
22 HD12 LEU 2 HD12 LEU 2 -8.911 3.628 -2.961
23 HD13 LEU 2 HD13 LEU 2 -7.282 3.122 -2.471
24 HD21 LEU 2 HD21 LEU 2 -6.317 1.000 -3.960
25 HD22 LEU 2 HD22 LEU 2 -7.532 0.103 -4.890
26 HD23 LEU 2 HD23 LEU 2 -7.092 1.725 -5.387
27 HA PRO 3 HA PRO 3 -11.830 -2.172 0.415
28 HB2 PRO 3 HB2 PRO 3 -10.015 -4.140 -1.015
29 HB3 PRO 3 HB3 PRO 3 -11.752 -4.370 -0.599
30 HG2 PRO 3 HG2 PRO 3 -11.115 -3.700 -3.095
31 HG3 PRO 3 HG3 PRO 3 -12.377 -2.697 -2.276
32 HD2 PRO 3 HD2 PRO 3 -9.374 -2.188 -2.409
33 HD3 PRO 3 HD3 PRO 3 -10.649 -1.070 -2.912
34 HA PRO 4 HA PRO 4 -9.212 -3.665 3.778
35 HB2 PRO 4 HB2 PRO 4 -10.578 -5.975 4.476
36 HB3 PRO 4 HB3 PRO 4 -11.064 -4.325 4.976
37 HG2 PRO 4 HG2 PRO 4 -12.107 -5.954 2.647
38 HG3 PRO 4 HG3 PRO 4 -13.045 -5.017 3.856
39 HD2 PRO 4 HD2 PRO 4 -12.523 -4.001 1.429
40 HD3 PRO 4 HD3 PRO 4 -12.414 -2.952 2.867
41 H GLY 5 H GLY 5 -7.464 -5.042 3.805
42 HA2 GLY 5 HA2 GLY 5 -6.291 -7.093 2.895
43 HA3 GLY 5 HA3 GLY 5 -7.092 -6.745 1.378
44 H TRP 6 H TRP 6 -6.787 -3.684 1.222
45 HA TRP 6 HA TRP 6 -3.965 -3.615 0.605
46 HB2 TRP 6 HB2 TRP 6 -5.977 -1.437 1.015
47 HB3 TRP 6 HB3 TRP 6 -4.361 -1.239 0.396
48 HD1 TRP 6 HD1 TRP 6 -7.745 -1.759 -0.825
49 HE1 TRP 6 HE1 TRP 6 -7.688 -1.900 -3.362
50 HE3 TRP 6 HE3 TRP 6 -2.766 -2.139 -1.440
51 HZ2 TRP 6 HZ2 TRP 6 -5.713 -2.230 -5.454
52 HZ3 TRP 6 HZ3 TRP 6 -1.795 -2.090 -3.661
53 HH2 TRP 6 HH2 TRP 6 -3.230 -2.191 -5.721
54 H GLU 7 H GLU 7 -2.249 -3.067 1.748
55 HA GLU 7 HA GLU 7 -2.482 -1.511 4.251
56 HB2 GLU 7 HB2 GLU 7 -2.827 -3.951 4.770
57 HB3 GLU 7 HB3 GLU 7 -1.207 -4.283 4.207
58 HG2 GLU 7 HG2 GLU 7 -1.873 -2.350 6.471
59 HG3 GLU 7 HG3 GLU 7 -1.634 -4.075 6.726
60 H LYS 8 H LYS 8 -0.400 -0.678 4.978
61 HA LYS 8 HA LYS 8 1.106 0.485 2.885
62 HB2 LYS 8 HB2 LYS 8 0.749 1.667 4.857
63 HB3 LYS 8 HB3 LYS 8 1.260 0.385 5.908
64 HG2 LYS 8 HG2 LYS 8 3.169 1.881 4.065
65 HG3 LYS 8 HG3 LYS 8 2.736 2.443 5.673
66 HD2 LYS 8 HD2 LYS 8 4.407 0.009 4.984
67 HD3 LYS 8 HD3 LYS 8 4.834 1.448 5.857
68 HE2 LYS 8 HE2 LYS 8 4.699 -0.085 7.538
69 HE3 LYS 8 HE3 LYS 8 3.133 0.715 7.672
70 HZ1 LYS 8 HZ1 LYS 8 2.054 -1.235 6.912
71 HZ2 LYS 8 HZ2 LYS 8 3.269 -1.703 6.001
72 HZ3 LYS 8 HZ3 LYS 8 3.337 -1.906 7.652
73 H ARG 9 H ARG 9 3.066 0.109 1.976
74 HA ARG 9 HA ARG 9 4.682 -2.214 2.893
75 HB2 ARG 9 HB2 ARG 9 2.868 -2.618 0.998
76 HB3 ARG 9 HB3 ARG 9 3.989 -1.767 -0.026
77 HG2 ARG 9 HG2 ARG 9 4.284 -4.138 -0.292
78 HG3 ARG 9 HG3 ARG 9 5.729 -3.506 0.465
79 HD2 ARG 9 HD2 ARG 9 5.029 -5.667 1.454
80 HD3 ARG 9 HD3 ARG 9 5.037 -4.374 2.655
81 HE ARG 9 HE ARG 9 2.533 -5.215 1.254
82 HH11 ARG 9 HH11 ARG 9 4.027 -4.999 4.485
83 HH12 ARG 9 HH12 ARG 9 2.427 -4.530 5.134
84 HH21 ARG 9 HH21 ARG 9 0.622 -4.477 2.410
85 HH22 ARG 9 HH22 ARG 9 0.834 -4.463 4.163
86 H MET 10 H MET 10 6.921 -2.181 1.999
87 HA MET 10 HA MET 10 7.812 0.541 1.223
88 HB2 MET 10 HB2 MET 10 7.863 0.090 3.749
89 HB3 MET 10 HB3 MET 10 9.132 -1.094 3.406
90 HG2 MET 10 HG2 MET 10 10.435 0.788 2.293
91 HG3 MET 10 HG3 MET 10 9.183 1.894 2.804
92 HE1 MET 10 HE1 MET 10 10.410 3.528 4.200
93 HE2 MET 10 HE2 MET 10 11.641 3.132 5.423
94 HE3 MET 10 HE3 MET 10 11.956 2.802 3.710
95 H PHE 11 H PHE 11 9.521 0.636 -0.158
96 HA PHE 11 HA PHE 11 10.310 -1.848 -1.468
97 HB2 PHE 11 HB2 PHE 11 10.729 1.091 -1.972
98 HB3 PHE 11 HB3 PHE 11 11.455 -0.160 -2.983
99 HD1 PHE 11 HD2 PHE 11 9.798 -2.011 -3.893
100 HD2 PHE 11 HD1 PHE 11 8.580 1.907 -2.542
101 HE1 PHE 11 HE2 PHE 11 7.796 -2.117 -5.361
102 HE2 PHE 11 HE1 PHE 11 6.673 1.851 -4.126
103 HZ PHE 11 HZ PHE 11 6.269 -0.173 -5.493
104 H ARG 12 H ARG 12 11.771 -3.013 -0.391
105 HA ARG 12 HA ARG 12 14.130 -2.118 0.920
106 HB2 ARG 12 HB2 ARG 12 13.149 -4.409 1.024
107 HB3 ARG 12 HB3 ARG 12 13.622 -4.685 -0.658
108 HG2 ARG 12 HG2 ARG 12 16.005 -4.445 -0.043
109 HG3 ARG 12 HG3 ARG 12 15.561 -4.110 1.637
110 HD2 ARG 12 HD2 ARG 12 14.902 -6.680 0.134
111 HD3 ARG 12 HD3 ARG 12 16.310 -6.471 1.190
112 HE ARG 12 HE ARG 12 14.209 -5.758 2.812
113 HH11 ARG 12 HH11 ARG 12 14.892 -8.676 1.010
114 HH12 ARG 12 HH12 ARG 12 14.028 -9.705 2.121
115 HH21 ARG 12 HH22 ARG 12 13.135 -7.113 4.245
116 HH22 ARG 12 HH21 ARG 12 13.068 -8.817 3.923
117 H SER 13 H SER 13 16.053 -1.467 0.190
118 HA SER 13 HA SER 13 17.855 -1.047 -1.083
119 HB2 SER 13 HB2 SER 13 17.292 -2.915 -2.658
120 HB3 SER 13 HB3 SER 13 16.407 -1.730 -3.650
121 HG SER 13 HG SER 13 18.428 -0.455 -3.458
122 H ASN 14 H ASN 14 14.836 0.590 -1.381
123 HA ASN 14 HA ASN 14 16.486 3.002 -1.817
124 HB2 ASN 14 HB2 ASN 14 15.106 4.030 -3.449
125 HB3 ASN 14 HB3 ASN 14 15.591 2.453 -4.058
126 HD21 ASN 14 HD21 ASN 14 13.645 3.406 -5.461
127 H GLY 15 H GLY 15 13.732 1.532 -0.229
128 HA2 GLY 15 HA2 GLY 15 12.857 2.158 1.775
129 HA3 GLY 15 HA3 GLY 15 13.776 3.668 1.767
130 H THR 16 H THR 16 11.989 3.113 -1.145
131 HA THR 16 HA THR 16 10.081 5.267 -0.600
132 HB THR 16 HB THR 16 10.362 3.225 -2.825
133 HG1 THR 16 HG1 THR 16 11.898 4.941 -2.416
134 HG21 THR 16 HG21 THR 16 8.483 5.619 -2.721
135 HG22 THR 16 HG22 THR 16 8.921 4.729 -4.188
136 HG23 THR 16 HG23 THR 16 8.013 3.908 -2.916
137 H VAL 17 H VAL 17 7.653 4.751 -0.922
138 HA VAL 17 HA VAL 17 6.834 2.410 0.676
139 HB VAL 17 HB VAL 17 6.391 5.307 1.429
140 HG11 VAL 17 HG11 VAL 17 4.700 4.597 3.098
141 HG12 VAL 17 HG12 VAL 17 4.108 4.420 1.450
142 HG13 VAL 17 HG13 VAL 17 4.647 2.985 2.358
143 HG21 VAL 17 HG21 VAL 17 8.243 4.003 2.489
144 HG22 VAL 17 HG22 VAL 17 7.003 4.459 3.665
145 HG23 VAL 17 HG23 VAL 17 7.044 2.797 3.036
146 H TYR 18 H TYR 18 4.710 1.821 0.347
147 HA TYR 18 HA TYR 18 2.955 3.117 -1.563
148 HB2 TYR 18 HB2 TYR 18 2.978 1.386 -3.219
149 HB3 TYR 18 HB3 TYR 18 4.575 2.056 -3.080
150 HD1 TYR 18 HD1 TYR 18 6.190 0.621 -1.344
151 HD2 TYR 18 HD2 TYR 18 2.829 -0.829 -3.615
152 HE1 TYR 18 HE1 TYR 18 7.172 -1.636 -1.322
153 HE2 TYR 18 HE2 TYR 18 3.827 -3.141 -3.571
154 HH TYR 18 HH TYR 18 7.010 -3.774 -2.130
155 H TYR 19 H TYR 19 1.239 0.899 -2.081
156 HA TYR 19 HA TYR 19 0.714 -0.314 0.551
157 HB2 TYR 19 HB2 TYR 19 -1.107 1.470 -1.025
158 HB3 TYR 19 HB3 TYR 19 -1.795 -0.025 -0.430
159 HD1 TYR 19 HD2 TYR 19 0.372 2.775 0.878
160 HD2 TYR 19 HD1 TYR 19 -2.821 -0.011 1.672
161 HE1 TYR 19 HE2 TYR 19 0.038 3.771 3.132
162 HE2 TYR 19 HE1 TYR 19 -3.257 1.102 3.851
163 HH TYR 19 HH TYR 19 -2.814 3.507 4.832
164 H PHE 20 H PHE 20 -0.201 -2.278 0.433
165 HA PHE 20 HA PHE 20 -0.117 -3.712 -2.178
166 HB2 PHE 20 HB2 PHE 20 2.016 -3.792 -0.958
167 HB3 PHE 20 HB3 PHE 20 1.183 -4.370 0.470
168 HD1 PHE 20 HD1 PHE 20 2.217 -5.266 -2.980
169 HD2 PHE 20 HD2 PHE 20 0.556 -6.718 0.729
170 HE1 PHE 20 HE1 PHE 20 2.444 -7.608 -3.786
171 HE2 PHE 20 HE2 PHE 20 0.866 -9.055 -0.059
172 HZ PHE 20 HZ PHE 20 1.778 -9.501 -2.309
173 H ASN 21 H ASN 21 -1.811 -5.013 -2.428
174 HA ASN 21 HA ASN 21 -3.703 -5.389 -0.223
175 HB2 ASN 21 HB2 ASN 21 -4.373 -4.848 -2.614
176 HB3 ASN 21 HB3 ASN 21 -3.916 -6.497 -3.010
177 HD21 ASN 21 HD22 ASN 21 -6.535 -4.540 -1.960
178 HD22 ASN 21 HD21 ASN 21 -7.459 -5.853 -1.246
179 H HIS 22 H HIS 22 -2.895 -6.771 1.322
180 HA HIS 22 HA HIS 22 -1.269 -9.072 0.569
181 HB2 HIS 22 HB2 HIS 22 -1.218 -9.599 2.914
182 HB3 HIS 22 HB3 HIS 22 -0.924 -7.884 2.684
183 HD2 HIS 22 HD2 HIS 22 -2.464 -6.224 3.975
184 HE1 HIS 22 HE1 HIS 22 -5.267 -9.019 5.555
185 HE2 HIS 22 HE2 HIS 22 -4.486 -6.583 5.622
186 H ILE 23 H ILE 23 -4.582 -8.623 0.336
187 HA ILE 23 HA ILE 23 -5.256 -11.479 0.730
188 HB ILE 23 HB ILE 23 -6.787 -8.892 0.467
189 HG12 ILE 23 HG12 ILE 23 -6.745 -11.172 2.486
190 HG13 ILE 23 HG13 ILE 23 -5.997 -9.589 2.663
191 HG21 ILE 23 HG21 ILE 23 -7.958 -10.382 -1.067
192 HG22 ILE 23 HG22 ILE 23 -8.086 -11.612 0.220
193 HG23 ILE 23 HG23 ILE 23 -8.899 -10.026 0.372
194 HD11 ILE 23 HD11 ILE 23 -8.327 -8.568 2.544
195 HD12 ILE 23 HD12 ILE 23 -8.962 -10.224 2.671
196 HD13 ILE 23 HD13 ILE 23 -7.972 -9.555 3.976
197 H THR 24 H THR 24 -4.948 -9.075 -1.920
198 HA THR 24 HA THR 24 -5.448 -11.301 -3.869
199 HB THR 24 HB THR 24 -5.858 -9.658 -5.526
200 HG1 THR 24 HG1 THR 24 -5.831 -7.445 -4.953
201 HG21 THR 24 HG21 THR 24 -7.744 -10.148 -3.952
202 HG22 THR 24 HG22 THR 24 -7.296 -8.707 -3.014
203 HG23 THR 24 HG23 THR 24 -7.841 -8.543 -4.697
204 H ASN 25 H ASN 25 -2.903 -9.270 -2.795
205 HA ASN 25 HA ASN 25 -0.701 -9.236 -3.124
206 HB2 ASN 25 HB2 ASN 25 -0.934 -10.899 -5.656
207 HB3 ASN 25 HB3 ASN 25 0.534 -10.454 -4.807
208 HD21 ASN 25 HD22 ASN 25 -2.332 -12.472 -4.668
209 HD22 ASN 25 HD21 ASN 25 -1.683 -13.560 -3.420
210 H ALA 26 H ALA 26 -2.981 -7.609 -4.742
211 HA ALA 26 HA ALA 26 -1.502 -6.337 -6.852
212 HB1 ALA 26 HB1 ALA 26 -3.311 -4.677 -6.763
213 HB2 ALA 26 HB2 ALA 26 -3.977 -6.314 -6.626
214 HB3 ALA 26 HB3 ALA 26 -3.824 -5.288 -5.178
215 H SER 27 H SER 27 -0.768 -4.040 -6.915
216 HA SER 27 HA SER 27 0.051 -2.842 -4.321
217 HB2 SER 27 HB2 SER 27 2.168 -2.110 -5.424
218 HB3 SER 27 HB3 SER 27 2.069 -3.811 -5.000
219 HG SER 27 HG SER 27 1.412 -2.752 -7.572
220 H GLN 28 H GLN 28 -0.100 -0.643 -4.216
221 HA GLN 28 HA GLN 28 -0.384 1.023 -6.634
222 HB2 GLN 28 HB2 GLN 28 -2.717 0.354 -5.994
223 HB3 GLN 28 HB3 GLN 28 -2.417 0.934 -4.348
224 HG2 GLN 28 HG2 GLN 28 -2.015 3.244 -5.322
225 HG3 GLN 28 HG3 GLN 28 -2.475 2.605 -6.903
226 HE21 GLN 28 HE22 GLN 28 -3.644 3.161 -3.511
227 HE22 GLN 28 HE21 GLN 28 -5.338 3.241 -4.048
228 H PHE 29 H PHE 29 0.581 3.133 -6.183
229 HA PHE 29 HA PHE 29 2.032 3.232 -3.643
230 HB2 PHE 29 HB2 PHE 29 2.027 5.053 -6.036
231 HB3 PHE 29 HB3 PHE 29 2.940 5.354 -4.568
232 HD1 PHE 29 HD2 PHE 29 2.827 1.737 -5.647
233 HD2 PHE 29 HD1 PHE 29 4.974 5.507 -5.894
234 HE1 PHE 29 HE2 PHE 29 4.653 0.636 -6.785
235 HE2 PHE 29 HE1 PHE 29 6.875 4.317 -6.933
236 HZ PHE 29 HZ PHE 29 6.712 1.883 -7.412
237 H GLU 30 H GLU 30 -0.922 4.787 -4.855
238 HA GLU 30 HA GLU 30 -1.024 6.569 -2.546
239 HB2 GLU 30 HB2 GLU 30 -2.388 6.490 -4.980
240 HB3 GLU 30 HB3 GLU 30 -3.617 5.967 -3.846
241 HG2 GLU 30 HG2 GLU 30 -2.029 8.565 -3.813
242 HG3 GLU 30 HG3 GLU 30 -3.743 8.370 -4.177
243 H ARG 31 H ARG 31 -2.478 6.396 -0.894
244 HA ARG 31 HA ARG 31 -2.552 3.715 0.308
245 HB2 ARG 31 HB2 ARG 31 -3.364 6.283 1.665
246 HB3 ARG 31 HB3 ARG 31 -2.718 4.858 2.394
247 HG2 ARG 31 HG2 ARG 31 -0.547 5.532 2.126
248 HG3 ARG 31 HG3 ARG 31 -0.770 6.151 0.528
249 HD2 ARG 31 HD2 ARG 31 -1.419 7.523 3.154
250 HD3 ARG 31 HD3 ARG 31 -0.144 7.947 2.007
251 HE ARG 31 HE ARG 31 -2.019 8.433 0.342
252 HH11 ARG 31 HH11 ARG 31 -2.767 8.945 3.744
253 HH12 ARG 31 HH12 ARG 31 -4.472 9.246 3.362
254 HH21 ARG 31 HH21 ARG 31 -4.098 8.895 -0.058
255 HH22 ARG 31 HH22 ARG 31 -5.185 9.180 1.319
256 HA PRO 32 HA PRO 32 -7.127 3.357 -0.321
257 HB2 PRO 32 HB2 PRO 32 -6.251 0.935 1.270
258 HB3 PRO 32 HB3 PRO 32 -7.692 1.111 0.227
259 HG2 PRO 32 HG2 PRO 32 -5.679 0.151 -1.011
260 HG3 PRO 32 HG3 PRO 32 -6.238 1.553 -1.719
261 HD2 PRO 32 HD2 PRO 32 -3.923 1.471 0.242
262 HD3 PRO 32 HD3 PRO 32 -3.999 2.276 -1.350
263 H SER 33 H SER 33 -5.272 3.192 2.682
264 HA SER 33 HA SER 33 -7.401 3.086 4.518
265 HB2 SER 33 HB2 SER 33 -5.702 3.802 6.190
266 HB3 SER 33 HB3 SER 33 -5.173 2.478 5.142
267 HG SER 33 HG SER 33 -4.451 5.214 4.993
268 H GLY 34 H GLY 34 -6.594 5.878 2.629
269 HA2 GLY 34 HA2 GLY 34 -8.644 7.481 3.065
270 HA3 GLY 34 HA3 GLY 34 -7.807 7.758 4.595
271 H1 NAG 101 H1 NAG 35 11.096 2.309 -4.539
272 H2 NAG 101 H2 NAG 35 12.044 3.325 -7.281
273 H3 NAG 101 H3 NAG 35 9.243 2.580 -6.307
274 H4 NAG 101 H4 NAG 35 11.054 1.296 -8.421
275 H5 NAG 101 H5 NAG 35 10.100 0.296 -5.710
276 H61 NAG 101 H61 NAG 35 12.086 -1.004 -7.634
277 H62 NAG 101 H62 NAG 35 11.570 -1.641 -6.064
278 H81 NAG 101 H2M NAG 35 10.437 6.895 -5.093
279 H82 NAG 101 H3M NAG 35 11.522 7.632 -6.291
280 H83 NAG 101 H1M NAG 35 12.106 7.307 -4.644
281 HN2 NAG 101 H2N NAG 35 10.041 4.856 -5.858
282 HO3 NAG 101 H3O NAG 35 8.931 2.811 -8.687
283 HO4 NAG 101 H4O NAG 35 9.241 -0.300 -8.028
284 HO6 NAG 101 H6O NAG 35 10.348 -2.592 -7.758
Start of MODEL 14
1 H1 LYS 1 H1 LYS 1 -11.879 1.185 7.895
2 H2 LYS 1 H2 LYS 1 -12.931 1.022 6.619
3 H3 LYS 1 H3 LYS 1 -11.577 2.000 6.506
4 HA LYS 1 HA LYS 1 -10.113 0.391 6.369
5 HB2 LYS 1 HB2 LYS 1 -11.087 -0.959 8.283
6 HB3 LYS 1 HB3 LYS 1 -12.101 -1.768 7.077
7 HG2 LYS 1 HG2 LYS 1 -10.105 -3.105 7.393
8 HG3 LYS 1 HG3 LYS 1 -10.005 -2.364 5.810
9 HD2 LYS 1 HD2 LYS 1 -8.615 -0.480 7.261
10 HD3 LYS 1 HD3 LYS 1 -8.381 -1.877 8.287
11 HE2 LYS 1 HE2 LYS 1 -6.514 -1.749 6.825
12 HE3 LYS 1 HE3 LYS 1 -7.474 -3.127 6.278
13 HZ1 LYS 1 HZ1 LYS 1 -8.275 -1.820 4.454
14 HZ2 LYS 1 HZ2 LYS 1 -7.669 -0.408 5.074
15 HZ3 LYS 1 HZ3 LYS 1 -6.624 -1.585 4.531
16 H LEU 2 H LEU 2 -9.739 0.620 4.310
17 HA LEU 2 HA LEU 2 -11.629 -0.047 2.232
18 HB2 LEU 2 HB2 LEU 2 -8.766 0.700 2.129
19 HB3 LEU 2 HB3 LEU 2 -9.646 0.250 0.710
20 HG LEU 2 HG LEU 2 -10.048 2.501 0.610
21 HD11 LEU 2 HD11 LEU 2 -12.237 3.153 0.998
22 HD12 LEU 2 HD12 LEU 2 -12.251 1.469 0.467
23 HD13 LEU 2 HD13 LEU 2 -12.515 1.878 2.186
24 HD21 LEU 2 HD21 LEU 2 -9.045 2.857 2.898
25 HD22 LEU 2 HD22 LEU 2 -10.303 4.012 2.374
26 HD23 LEU 2 HD23 LEU 2 -10.693 2.744 3.543
27 HA PRO 3 HA PRO 3 -12.047 -3.939 1.466
28 HB2 PRO 3 HB2 PRO 3 -10.262 -3.834 -0.992
29 HB3 PRO 3 HB3 PRO 3 -11.824 -4.731 -0.823
30 HG2 PRO 3 HG2 PRO 3 -11.898 -2.349 -1.989
31 HG3 PRO 3 HG3 PRO 3 -13.024 -2.591 -0.599
32 HD2 PRO 3 HD2 PRO 3 -10.260 -1.380 -0.613
33 HD3 PRO 3 HD3 PRO 3 -11.684 -0.625 0.054
34 HA PRO 4 HA PRO 4 -9.520 -6.688 3.416
35 HB2 PRO 4 HB2 PRO 4 -10.031 -8.790 1.326
36 HB3 PRO 4 HB3 PRO 4 -10.124 -8.933 3.107
37 HG2 PRO 4 HG2 PRO 4 -12.392 -8.597 1.657
38 HG3 PRO 4 HG3 PRO 4 -12.157 -7.693 3.188
39 HD2 PRO 4 HD2 PRO 4 -11.814 -6.724 0.356
40 HD3 PRO 4 HD3 PRO 4 -12.534 -5.899 1.770
41 H GLY 5 H GLY 5 -7.464 -6.581 3.575
42 HA2 GLY 5 HA2 GLY 5 -5.246 -7.342 2.886
43 HA3 GLY 5 HA3 GLY 5 -5.689 -7.026 1.235
44 H TRP 6 H TRP 6 -6.835 -4.053 1.922
45 HA TRP 6 HA TRP 6 -4.304 -3.059 1.113
46 HB2 TRP 6 HB2 TRP 6 -6.694 -1.587 2.112
47 HB3 TRP 6 HB3 TRP 6 -5.302 -0.784 1.525
48 HD1 TRP 6 HD1 TRP 6 -8.472 -1.831 0.389
49 HE1 TRP 6 HE1 TRP 6 -8.632 -1.228 -2.122
50 HE3 TRP 6 HE3 TRP 6 -3.515 -1.501 -0.689
51 HZ2 TRP 6 HZ2 TRP 6 -6.833 -1.121 -4.394
52 HZ3 TRP 6 HZ3 TRP 6 -2.761 -1.080 -2.990
53 HH2 TRP 6 HH2 TRP 6 -4.391 -0.931 -4.865
54 H GLU 7 H GLU 7 -2.578 -2.605 2.090
55 HA GLU 7 HA GLU 7 -2.424 -0.661 4.159
56 HB2 GLU 7 HB2 GLU 7 -2.850 -2.317 5.769
57 HB3 GLU 7 HB3 GLU 7 -1.762 -3.466 5.020
58 HG2 GLU 7 HG2 GLU 7 -0.984 -2.581 7.191
59 HG3 GLU 7 HG3 GLU 7 0.161 -2.395 5.881
60 H LYS 8 H LYS 8 -0.270 -0.039 4.611
61 HA LYS 8 HA LYS 8 1.435 0.551 2.596
62 HB2 LYS 8 HB2 LYS 8 1.168 1.395 4.970
63 HB3 LYS 8 HB3 LYS 8 2.224 0.069 5.476
64 HG2 LYS 8 HG2 LYS 8 4.069 1.077 4.157
65 HG3 LYS 8 HG3 LYS 8 2.957 2.292 3.531
66 HD2 LYS 8 HD2 LYS 8 4.413 3.059 5.443
67 HD3 LYS 8 HD3 LYS 8 2.698 3.385 5.610
68 HE2 LYS 8 HE2 LYS 8 3.959 0.941 6.919
69 HE3 LYS 8 HE3 LYS 8 4.080 2.542 7.646
70 HZ1 LYS 8 HZ1 LYS 8 2.203 1.542 8.605
71 HZ2 LYS 8 HZ2 LYS 8 1.565 2.605 7.527
72 HZ3 LYS 8 HZ3 LYS 8 1.562 0.987 7.244
73 H ARG 9 H ARG 9 3.335 -0.026 1.835
74 HA ARG 9 HA ARG 9 4.826 -2.374 2.794
75 HB2 ARG 9 HB2 ARG 9 3.238 -3.199 1.040
76 HB3 ARG 9 HB3 ARG 9 3.913 -2.040 -0.097
77 HG2 ARG 9 HG2 ARG 9 4.787 -4.179 -0.594
78 HG3 ARG 9 HG3 ARG 9 6.106 -3.225 0.043
79 HD2 ARG 9 HD2 ARG 9 6.354 -5.401 0.957
80 HD3 ARG 9 HD3 ARG 9 5.831 -4.355 2.270
81 HE ARG 9 HE ARG 9 4.010 -5.723 2.542
82 HH11 ARG 9 HH11 ARG 9 5.001 -6.215 -0.778
83 HH12 ARG 9 HH12 ARG 9 3.779 -7.427 -1.049
84 HH21 ARG 9 HH21 ARG 9 2.414 -7.274 2.099
85 HH22 ARG 9 HH22 ARG 9 2.545 -8.132 0.601
86 H MET 10 H MET 10 7.094 -2.336 1.886
87 HA MET 10 HA MET 10 7.976 0.389 1.112
88 HB2 MET 10 HB2 MET 10 8.136 -0.043 3.620
89 HB3 MET 10 HB3 MET 10 9.288 -1.327 3.241
90 HG2 MET 10 HG2 MET 10 10.594 0.546 1.941
91 HG3 MET 10 HG3 MET 10 9.537 1.661 2.780
92 HE1 MET 10 HE1 MET 10 12.904 -0.908 4.619
93 HE2 MET 10 HE2 MET 10 11.509 -1.675 3.832
94 HE3 MET 10 HE3 MET 10 12.609 -0.642 2.886
95 H PHE 11 H PHE 11 9.657 0.473 -0.285
96 HA PHE 11 HA PHE 11 10.551 -2.008 -1.569
97 HB2 PHE 11 HB2 PHE 11 10.952 0.929 -2.112
98 HB3 PHE 11 HB3 PHE 11 11.681 -0.339 -3.073
99 HD1 PHE 11 HD1 PHE 11 10.170 -2.123 -4.121
100 HD2 PHE 11 HD2 PHE 11 8.638 1.639 -2.635
101 HE1 PHE 11 HE1 PHE 11 8.264 -2.270 -5.692
102 HE2 PHE 11 HE2 PHE 11 6.814 1.520 -4.278
103 HZ PHE 11 HZ PHE 11 6.591 -0.460 -5.780
104 H ARG 12 H ARG 12 11.946 -3.019 -0.140
105 HA ARG 12 HA ARG 12 14.293 -1.819 0.975
106 HB2 ARG 12 HB2 ARG 12 15.151 -3.989 1.261
107 HB3 ARG 12 HB3 ARG 12 13.426 -4.113 1.533
108 HG2 ARG 12 HG2 ARG 12 14.939 -5.043 -0.962
109 HG3 ARG 12 HG3 ARG 12 14.370 -6.036 0.363
110 HD2 ARG 12 HD2 ARG 12 12.765 -6.472 -1.161
111 HD3 ARG 12 HD3 ARG 12 11.978 -5.170 -0.260
112 HE ARG 12 HE ARG 12 13.316 -3.877 -2.342
113 HH11 ARG 12 HH11 ARG 12 10.904 -6.409 -2.265
114 HH12 ARG 12 HH12 ARG 12 10.358 -6.111 -3.894
115 HH21 ARG 12 HH21 ARG 12 12.634 -3.551 -4.499
116 HH22 ARG 12 HH22 ARG 12 11.314 -4.508 -5.097
117 H SER 13 H SER 13 16.395 -1.668 0.145
118 HA SER 13 HA SER 13 18.097 -1.378 -1.334
119 HB2 SER 13 HB2 SER 13 18.021 -1.582 -3.719
120 HB3 SER 13 HB3 SER 13 17.272 -3.012 -2.990
121 HG SER 13 HG SER 13 15.261 -2.019 -3.292
122 H ASN 14 H ASN 14 15.092 0.486 -1.364
123 HA ASN 14 HA ASN 14 16.913 2.800 -1.526
124 HB2 ASN 14 HB2 ASN 14 15.681 4.033 -3.171
125 HB3 ASN 14 HB3 ASN 14 16.192 2.492 -3.846
126 HD21 ASN 14 HD21 ASN 14 14.579 2.553 -5.491
127 H GLY 15 H GLY 15 13.847 1.526 -0.276
128 HA2 GLY 15 HA2 GLY 15 13.043 2.203 1.832
129 HA3 GLY 15 HA3 GLY 15 13.914 3.733 1.712
130 H THR 16 H THR 16 12.301 3.111 -1.201
131 HA THR 16 HA THR 16 10.243 5.107 -0.939
132 HB THR 16 HB THR 16 10.437 2.751 -2.849
133 HG1 THR 16 HG1 THR 16 12.193 3.862 -3.036
134 HG21 THR 16 HG21 THR 16 8.965 5.352 -3.325
135 HG22 THR 16 HG22 THR 16 9.191 3.985 -4.452
136 HG23 THR 16 HG23 THR 16 8.193 3.771 -3.031
137 H VAL 17 H VAL 17 7.856 4.578 -1.101
138 HA VAL 17 HA VAL 17 7.006 2.260 0.503
139 HB VAL 17 HB VAL 17 6.680 5.155 1.336
140 HG11 VAL 17 HG11 VAL 17 4.386 4.309 1.425
141 HG12 VAL 17 HG12 VAL 17 4.936 2.839 2.267
142 HG13 VAL 17 HG13 VAL 17 5.040 4.428 3.054
143 HG21 VAL 17 HG21 VAL 17 7.351 4.245 3.537
144 HG22 VAL 17 HG22 VAL 17 7.356 2.598 2.865
145 HG23 VAL 17 HG23 VAL 17 8.548 3.805 2.312
146 H TYR 18 H TYR 18 4.862 1.737 0.215
147 HA TYR 18 HA TYR 18 3.127 3.134 -1.686
148 HB2 TYR 18 HB2 TYR 18 3.155 1.504 -3.380
149 HB3 TYR 18 HB3 TYR 18 4.779 2.070 -3.168
150 HD1 TYR 18 HD1 TYR 18 6.292 0.513 -1.506
151 HD2 TYR 18 HD2 TYR 18 2.805 -0.705 -3.736
152 HE1 TYR 18 HE1 TYR 18 7.211 -1.738 -1.654
153 HE2 TYR 18 HE2 TYR 18 3.694 -3.053 -3.776
154 HH TYR 18 HH TYR 18 7.005 -3.770 -2.753
155 H TYR 19 H TYR 19 1.291 1.157 -2.229
156 HA TYR 19 HA TYR 19 0.583 0.083 0.422
157 HB2 TYR 19 HB2 TYR 19 -0.876 2.152 -1.089
158 HB3 TYR 19 HB3 TYR 19 -1.850 0.742 -0.710
159 HD1 TYR 19 HD2 TYR 19 0.724 2.880 0.971
160 HD2 TYR 19 HD1 TYR 19 -2.984 0.740 1.351
161 HE1 TYR 19 HE2 TYR 19 0.627 3.463 3.422
162 HE2 TYR 19 HE1 TYR 19 -3.117 1.385 3.760
163 HH TYR 19 HH TYR 19 -1.314 1.675 5.548
164 H PHE 20 H PHE 20 -0.383 -1.782 0.428
165 HA PHE 20 HA PHE 20 -0.429 -3.279 -2.143
166 HB2 PHE 20 HB2 PHE 20 1.670 -3.337 -0.774
167 HB3 PHE 20 HB3 PHE 20 0.782 -4.080 0.530
168 HD1 PHE 20 HD2 PHE 20 2.216 -4.596 -2.831
169 HD2 PHE 20 HD1 PHE 20 0.076 -6.405 0.408
170 HE1 PHE 20 HE2 PHE 20 2.622 -6.843 -3.832
171 HE2 PHE 20 HE1 PHE 20 0.535 -8.690 -0.588
172 HZ PHE 20 HZ PHE 20 1.751 -8.893 -2.628
173 H ASN 21 H ASN 21 -2.050 -4.684 -2.334
174 HA ASN 21 HA ASN 21 -3.969 -4.951 -0.082
175 HB2 ASN 21 HB2 ASN 21 -4.855 -4.505 -2.373
176 HB3 ASN 21 HB3 ASN 21 -4.118 -6.018 -2.911
177 HD21 ASN 21 HD22 ASN 21 -6.891 -4.605 -1.196
178 HD22 ASN 21 HD21 ASN 21 -7.459 -6.191 -0.640
179 H HIS 22 H HIS 22 -2.772 -6.161 1.408
180 HA HIS 22 HA HIS 22 -0.993 -8.282 0.667
181 HB2 HIS 22 HB2 HIS 22 -2.212 -7.654 3.373
182 HB3 HIS 22 HB3 HIS 22 -0.821 -8.687 3.067
183 HD2 HIS 22 HD2 HIS 22 -1.697 -4.877 2.794
184 HE1 HIS 22 HE1 HIS 22 2.402 -5.202 3.748
185 HE2 HIS 22 HE2 HIS 22 0.513 -3.593 3.249
186 H ILE 23 H ILE 23 -4.230 -8.547 0.227
187 HA ILE 23 HA ILE 23 -4.287 -11.424 1.037
188 HB ILE 23 HB ILE 23 -6.224 -9.238 1.248
189 HG12 ILE 23 HG12 ILE 23 -7.275 -10.741 2.895
190 HG13 ILE 23 HG13 ILE 23 -6.211 -12.057 2.400
191 HG21 ILE 23 HG21 ILE 23 -8.245 -10.513 0.808
192 HG22 ILE 23 HG22 ILE 23 -7.346 -10.137 -0.647
193 HG23 ILE 23 HG23 ILE 23 -7.281 -11.793 0.029
194 HD11 ILE 23 HD11 ILE 23 -4.262 -10.842 3.288
195 HD12 ILE 23 HD12 ILE 23 -5.288 -9.434 3.658
196 HD13 ILE 23 HD13 ILE 23 -5.521 -10.964 4.523
197 H THR 24 H THR 24 -5.164 -9.185 -1.593
198 HA THR 24 HA THR 24 -5.305 -11.381 -3.565
199 HB THR 24 HB THR 24 -5.726 -9.616 -5.217
200 HG1 THR 24 HG1 THR 24 -5.497 -7.863 -3.015
201 HG21 THR 24 HG21 THR 24 -7.382 -9.046 -2.720
202 HG22 THR 24 HG22 THR 24 -7.824 -8.737 -4.407
203 HG23 THR 24 HG23 THR 24 -7.658 -10.409 -3.833
204 H ASN 25 H ASN 25 -2.933 -8.992 -2.563
205 HA ASN 25 HA ASN 25 -0.789 -8.738 -2.905
206 HB2 ASN 25 HB2 ASN 25 -0.827 -10.670 -5.233
207 HB3 ASN 25 HB3 ASN 25 0.595 -9.971 -4.486
208 HD21 ASN 25 HD22 ASN 25 -1.986 -12.293 -4.055
209 HD22 ASN 25 HD21 ASN 25 -1.259 -13.086 -2.648
210 H ALA 26 H ALA 26 -3.177 -7.449 -4.549
211 HA ALA 26 HA ALA 26 -1.852 -6.120 -6.730
212 HB1 ALA 26 HB1 ALA 26 -3.663 -4.508 -6.593
213 HB2 ALA 26 HB2 ALA 26 -4.337 -6.128 -6.318
214 HB3 ALA 26 HB3 ALA 26 -4.070 -5.015 -4.952
215 H SER 27 H SER 27 -1.011 -3.891 -6.818
216 HA SER 27 HA SER 27 -0.215 -2.599 -4.262
217 HB2 SER 27 HB2 SER 27 2.030 -2.164 -5.243
218 HB3 SER 27 HB3 SER 27 1.755 -3.829 -4.755
219 HG SER 27 HG SER 27 1.303 -2.861 -7.388
220 H GLN 28 H GLN 28 -0.279 -0.415 -4.357
221 HA GLN 28 HA GLN 28 -0.087 0.996 -6.944
222 HB2 GLN 28 HB2 GLN 28 -2.291 1.400 -4.869
223 HB3 GLN 28 HB3 GLN 28 -1.897 2.568 -6.109
224 HG2 GLN 28 HG2 GLN 28 -3.000 -0.223 -6.553
225 HG3 GLN 28 HG3 GLN 28 -3.860 1.309 -6.734
226 HE21 GLN 28 HE22 GLN 28 -2.433 2.943 -8.464
227 HE22 GLN 28 HE21 GLN 28 -2.060 1.978 -9.890
228 H PHE 29 H PHE 29 0.600 3.366 -6.408
229 HA PHE 29 HA PHE 29 2.150 3.358 -3.828
230 HB2 PHE 29 HB2 PHE 29 2.282 5.161 -6.233
231 HB3 PHE 29 HB3 PHE 29 3.051 5.504 -4.692
232 HD1 PHE 29 HD1 PHE 29 3.161 1.880 -5.738
233 HD2 PHE 29 HD2 PHE 29 5.196 5.720 -5.851
234 HE1 PHE 29 HE1 PHE 29 5.104 0.838 -6.717
235 HE2 PHE 29 HE2 PHE 29 7.208 4.591 -6.727
236 HZ PHE 29 HZ PHE 29 7.169 2.153 -7.203
237 H GLU 30 H GLU 30 -0.649 4.562 -5.437
238 HA GLU 30 HA GLU 30 -1.504 6.478 -3.488
239 HB2 GLU 30 HB2 GLU 30 -3.421 4.848 -5.153
240 HB3 GLU 30 HB3 GLU 30 -3.520 6.520 -4.634
241 HG2 GLU 30 HG2 GLU 30 -3.097 6.759 -6.893
242 HG3 GLU 30 HG3 GLU 30 -1.466 6.904 -6.246
243 H ARG 31 H ARG 31 -2.214 6.137 -1.551
244 HA ARG 31 HA ARG 31 -2.833 3.494 -0.417
245 HB2 ARG 31 HB2 ARG 31 -1.240 4.822 0.709
246 HB3 ARG 31 HB3 ARG 31 -2.121 6.296 0.518
247 HG2 ARG 31 HG2 ARG 31 -3.537 4.314 2.223
248 HG3 ARG 31 HG3 ARG 31 -1.953 4.779 2.811
249 HD2 ARG 31 HD2 ARG 31 -3.794 6.175 3.729
250 HD3 ARG 31 HD3 ARG 31 -2.431 7.052 3.001
251 HE ARG 31 HE ARG 31 -4.200 6.744 0.922
252 HH11 ARG 31 HH12 ARG 31 -4.782 8.326 3.992
253 HH12 ARG 31 HH11 ARG 31 -6.270 9.031 3.383
254 HH21 ARG 31 HH21 ARG 31 -5.938 7.466 0.296
255 HH22 ARG 31 HH22 ARG 31 -7.058 8.320 1.359
256 HA PRO 32 HA PRO 32 -7.279 4.597 -0.691
257 HB2 PRO 32 HB2 PRO 32 -7.923 2.556 1.164
258 HB3 PRO 32 HB3 PRO 32 -8.340 2.683 -0.588
259 HG2 PRO 32 HG2 PRO 32 -6.701 0.825 0.700
260 HG3 PRO 32 HG3 PRO 32 -6.920 1.075 -0.992
261 HD2 PRO 32 HD2 PRO 32 -4.628 2.017 0.711
262 HD3 PRO 32 HD3 PRO 32 -4.678 1.960 -1.074
263 H SER 33 H SER 33 -8.771 5.533 1.098
264 HA SER 33 HA SER 33 -7.271 6.643 3.308
265 HB2 SER 33 HB2 SER 33 -10.189 6.877 2.538
266 HB3 SER 33 HB3 SER 33 -9.417 7.777 3.859
267 HG SER 33 HG SER 33 -9.488 8.905 1.839
268 H GLY 34 H GLY 34 -6.825 4.254 3.956
269 HA2 GLY 34 HA2 GLY 34 -6.669 2.983 5.891
270 HA3 GLY 34 HA3 GLY 34 -7.923 3.984 6.635
271 H1 NAG 101 H1 NAG 35 11.939 1.655 -4.439
272 H2 NAG 101 H2 NAG 35 12.623 2.530 -7.287
273 H3 NAG 101 H3 NAG 35 10.080 1.263 -6.121
274 H4 NAG 101 H4 NAG 35 12.114 0.188 -8.149
275 H5 NAG 101 H5 NAG 35 11.547 -0.772 -5.316
276 H61 NAG 101 H61 NAG 35 12.316 -2.571 -6.875
277 H62 NAG 101 H62 NAG 35 13.760 -1.613 -7.240
278 H81 NAG 101 H2M NAG 35 11.210 6.260 -5.626
279 H82 NAG 101 H3M NAG 35 9.517 5.935 -6.070
280 H83 NAG 101 H1M NAG 35 10.609 6.717 -7.233
281 HN2 NAG 101 H2N NAG 35 11.387 3.957 -5.114
282 HO3 NAG 101 H3O NAG 35 10.338 2.837 -8.237
283 HO4 NAG 101 H4O NAG 35 9.772 -0.263 -8.157
284 HO6 NAG 101 H6O NAG 35 14.443 -1.820 -5.121
Start of MODEL 15
1 H1 LYS 1 H1 LYS 1 -12.399 5.705 1.042
2 H2 LYS 1 H2 LYS 1 -13.196 4.356 0.506
3 H3 LYS 1 H3 LYS 1 -12.352 5.277 -0.552
4 HA LYS 1 HA LYS 1 -10.271 4.669 0.426
5 HB2 LYS 1 HB2 LYS 1 -10.194 3.013 2.209
6 HB3 LYS 1 HB3 LYS 1 -10.943 4.513 2.753
7 HG2 LYS 1 HG2 LYS 1 -13.152 3.441 2.658
8 HG3 LYS 1 HG3 LYS 1 -12.456 1.945 2.022
9 HD2 LYS 1 HD2 LYS 1 -11.435 3.055 4.655
10 HD3 LYS 1 HD3 LYS 1 -12.996 2.262 4.593
11 HE2 LYS 1 HE2 LYS 1 -11.352 0.687 5.313
12 HE3 LYS 1 HE3 LYS 1 -12.013 0.188 3.756
13 HZ1 LYS 1 HZ1 LYS 1 -9.533 0.010 4.037
14 HZ2 LYS 1 HZ2 LYS 1 -10.022 0.773 2.680
15 HZ3 LYS 1 HZ3 LYS 1 -9.443 1.654 3.977
16 H LEU 2 H LEU 2 -9.132 2.720 -0.244
17 HA LEU 2 HA LEU 2 -10.745 0.951 -1.921
18 HB2 LEU 2 HB2 LEU 2 -7.875 0.438 -1.573
19 HB3 LEU 2 HB3 LEU 2 -8.896 -0.046 -2.783
20 HG LEU 2 HG LEU 2 -9.338 2.021 -3.807
21 HD11 LEU 2 HD11 LEU 2 -6.865 3.150 -2.490
22 HD12 LEU 2 HD12 LEU 2 -7.873 3.880 -3.725
23 HD13 LEU 2 HD13 LEU 2 -8.525 3.676 -2.106
24 HD21 LEU 2 HD21 LEU 2 -7.185 1.999 -5.053
25 HD22 LEU 2 HD22 LEU 2 -6.459 1.018 -3.772
26 HD23 LEU 2 HD23 LEU 2 -7.799 0.379 -4.741
27 HA PRO 3 HA PRO 3 -11.848 -2.217 0.599
28 HB2 PRO 3 HB2 PRO 3 -9.975 -4.127 -0.835
29 HB3 PRO 3 HB3 PRO 3 -11.719 -4.373 -0.479
30 HG2 PRO 3 HG2 PRO 3 -10.991 -3.634 -2.936
31 HG3 PRO 3 HG3 PRO 3 -12.316 -2.699 -2.140
32 HD2 PRO 3 HD2 PRO 3 -9.338 -2.048 -2.166
33 HD3 PRO 3 HD3 PRO 3 -10.655 -0.991 -2.668
34 HA PRO 4 HA PRO 4 -9.219 -3.761 3.944
35 HB2 PRO 4 HB2 PRO 4 -10.592 -6.060 4.631
36 HB3 PRO 4 HB3 PRO 4 -11.100 -4.413 5.123
37 HG2 PRO 4 HG2 PRO 4 -12.099 -6.055 2.782
38 HG3 PRO 4 HG3 PRO 4 -13.062 -5.131 3.982
39 HD2 PRO 4 HD2 PRO 4 -12.512 -4.113 1.555
40 HD3 PRO 4 HD3 PRO 4 -12.463 -3.061 2.995
41 H GLY 5 H GLY 5 -7.469 -5.179 3.928
42 HA2 GLY 5 HA2 GLY 5 -6.355 -7.211 2.949
43 HA3 GLY 5 HA3 GLY 5 -7.179 -6.826 1.453
44 H TRP 6 H TRP 6 -6.819 -3.752 1.367
45 HA TRP 6 HA TRP 6 -4.018 -3.763 0.675
46 HB2 TRP 6 HB2 TRP 6 -5.968 -1.525 1.186
47 HB3 TRP 6 HB3 TRP 6 -4.359 -1.334 0.554
48 HD1 TRP 6 HD1 TRP 6 -7.741 -1.695 -0.635
49 HE1 TRP 6 HE1 TRP 6 -7.719 -1.728 -3.191
50 HE3 TRP 6 HE3 TRP 6 -2.780 -2.301 -1.356
51 HZ2 TRP 6 HZ2 TRP 6 -5.798 -2.191 -5.318
52 HZ3 TRP 6 HZ3 TRP 6 -1.851 -2.331 -3.615
53 HH2 TRP 6 HH2 TRP 6 -3.336 -2.380 -5.627
54 H GLU 7 H GLU 7 -2.282 -3.248 1.744
55 HA GLU 7 HA GLU 7 -2.389 -2.030 4.465
56 HB2 GLU 7 HB2 GLU 7 -2.436 -4.612 4.332
57 HB3 GLU 7 HB3 GLU 7 -0.788 -4.504 3.711
58 HG2 GLU 7 HG2 GLU 7 -0.119 -3.353 5.833
59 HG3 GLU 7 HG3 GLU 7 -1.788 -3.467 6.403
60 H LYS 8 H LYS 8 -0.511 -0.755 4.974
61 HA LYS 8 HA LYS 8 0.859 0.335 2.721
62 HB2 LYS 8 HB2 LYS 8 0.318 1.558 4.792
63 HB3 LYS 8 HB3 LYS 8 1.566 0.657 5.666
64 HG2 LYS 8 HG2 LYS 8 3.272 1.580 4.059
65 HG3 LYS 8 HG3 LYS 8 2.007 2.489 3.247
66 HD2 LYS 8 HD2 LYS 8 2.593 2.873 6.220
67 HD3 LYS 8 HD3 LYS 8 3.542 3.656 4.966
68 HE2 LYS 8 HE2 LYS 8 1.985 5.293 5.482
69 HE3 LYS 8 HE3 LYS 8 1.372 4.573 3.994
70 HZ1 LYS 8 HZ1 LYS 8 -0.126 3.218 5.460
71 HZ2 LYS 8 HZ2 LYS 8 0.346 4.155 6.742
72 HZ3 LYS 8 HZ3 LYS 8 -0.439 4.800 5.428
73 H ARG 9 H ARG 9 2.907 0.174 1.971
74 HA ARG 9 HA ARG 9 4.660 -2.036 2.950
75 HB2 ARG 9 HB2 ARG 9 2.744 -2.480 1.018
76 HB3 ARG 9 HB3 ARG 9 4.007 -1.818 0.017
77 HG2 ARG 9 HG2 ARG 9 4.380 -4.077 -0.143
78 HG3 ARG 9 HG3 ARG 9 5.527 -3.660 1.101
79 HD2 ARG 9 HD2 ARG 9 3.017 -5.297 1.250
80 HD3 ARG 9 HD3 ARG 9 4.587 -5.607 1.963
81 HE ARG 9 HE ARG 9 3.471 -3.371 3.324
82 HH11 ARG 9 HH11 ARG 9 2.260 -6.745 3.062
83 HH12 ARG 9 HH12 ARG 9 1.417 -6.420 4.607
84 HH21 ARG 9 HH21 ARG 9 2.423 -3.338 5.148
85 HH22 ARG 9 HH22 ARG 9 1.573 -4.833 5.669
86 H MET 10 H MET 10 6.860 -1.959 2.084
87 HA MET 10 HA MET 10 7.661 0.769 1.207
88 HB2 MET 10 HB2 MET 10 7.779 0.460 3.731
89 HB3 MET 10 HB3 MET 10 8.978 -0.804 3.440
90 HG2 MET 10 HG2 MET 10 10.198 1.120 2.037
91 HG3 MET 10 HG3 MET 10 9.167 2.178 2.979
92 HE1 MET 10 HE1 MET 10 12.343 0.097 2.737
93 HE2 MET 10 HE2 MET 10 12.728 -0.367 4.411
94 HE3 MET 10 HE3 MET 10 11.339 -1.107 3.582
95 H PHE 11 H PHE 11 9.317 0.877 -0.198
96 HA PHE 11 HA PHE 11 10.415 -1.587 -1.330
97 HB2 PHE 11 HB2 PHE 11 10.659 1.356 -1.952
98 HB3 PHE 11 HB3 PHE 11 11.486 0.095 -2.867
99 HD1 PHE 11 HD2 PHE 11 9.944 -1.889 -3.730
100 HD2 PHE 11 HD1 PHE 11 8.464 2.020 -2.621
101 HE1 PHE 11 HE2 PHE 11 7.981 -2.197 -5.214
102 HE2 PHE 11 HE1 PHE 11 6.626 1.776 -4.253
103 HZ PHE 11 HZ PHE 11 6.357 -0.348 -5.508
104 H ARG 12 H ARG 12 11.854 -2.545 -0.039
105 HA ARG 12 HA ARG 12 13.961 -1.345 1.461
106 HB2 ARG 12 HB2 ARG 12 13.857 -4.034 0.015
107 HB3 ARG 12 HB3 ARG 12 15.099 -3.558 1.179
108 HG2 ARG 12 HG2 ARG 12 13.342 -3.285 2.936
109 HG3 ARG 12 HG3 ARG 12 12.120 -3.855 1.783
110 HD2 ARG 12 HD2 ARG 12 13.373 -6.007 1.547
111 HD3 ARG 12 HD3 ARG 12 14.568 -5.423 2.701
112 HE ARG 12 HE ARG 12 13.099 -5.737 4.471
113 HH11 ARG 12 HH11 ARG 12 11.344 -6.412 1.520
114 HH12 ARG 12 HH12 ARG 12 10.036 -7.213 2.345
115 HH21 ARG 12 HH21 ARG 12 11.393 -6.748 5.502
116 HH22 ARG 12 HH22 ARG 12 10.066 -7.366 4.571
117 H SER 13 H SER 13 16.182 -1.125 0.967
118 HA SER 13 HA SER 13 17.900 -0.239 -0.109
119 HB2 SER 13 HB2 SER 13 17.845 -2.323 -1.450
120 HB3 SER 13 HB3 SER 13 16.895 -1.466 -2.687
121 HG SER 13 HG SER 13 18.668 0.167 -2.484
122 H ASN 14 H ASN 14 14.782 1.031 -0.907
123 HA ASN 14 HA ASN 14 16.311 3.482 -1.544
124 HB2 ASN 14 HB2 ASN 14 15.142 4.148 -3.425
125 HB3 ASN 14 HB3 ASN 14 15.570 2.471 -3.718
126 HD21 ASN 14 HD21 ASN 14 13.932 2.808 -5.422
127 H GLY 15 H GLY 15 13.449 2.115 -0.016
128 HA2 GLY 15 HA2 GLY 15 12.590 2.970 1.973
129 HA3 GLY 15 HA3 GLY 15 13.411 4.511 1.705
130 H THR 16 H THR 16 11.755 3.537 -1.122
131 HA THR 16 HA THR 16 9.654 5.554 -0.829
132 HB THR 16 HB THR 16 10.135 3.359 -2.872
133 HG1 THR 16 HG1 THR 16 11.589 5.177 -2.491
134 HG21 THR 16 HG21 THR 16 8.688 4.663 -4.405
135 HG22 THR 16 HG22 THR 16 7.762 3.987 -3.076
136 HG23 THR 16 HG23 THR 16 8.206 5.712 -3.055
137 H VAL 17 H VAL 17 7.310 4.869 -1.155
138 HA VAL 17 HA VAL 17 6.552 2.568 0.517
139 HB VAL 17 HB VAL 17 6.063 5.467 1.222
140 HG11 VAL 17 HG11 VAL 17 4.398 3.124 2.230
141 HG12 VAL 17 HG12 VAL 17 4.411 4.765 2.916
142 HG13 VAL 17 HG13 VAL 17 3.806 4.512 1.283
143 HG21 VAL 17 HG21 VAL 17 7.966 4.247 2.289
144 HG22 VAL 17 HG22 VAL 17 6.723 4.669 3.472
145 HG23 VAL 17 HG23 VAL 17 6.824 3.003 2.859
146 H TYR 18 H TYR 18 4.508 1.885 0.227
147 HA TYR 18 HA TYR 18 2.686 3.017 -1.730
148 HB2 TYR 18 HB2 TYR 18 2.866 1.278 -3.353
149 HB3 TYR 18 HB3 TYR 18 4.435 2.005 -3.169
150 HD1 TYR 18 HD1 TYR 18 6.064 0.687 -1.414
151 HD2 TYR 18 HD2 TYR 18 2.754 -0.983 -3.611
152 HE1 TYR 18 HE1 TYR 18 7.125 -1.534 -1.293
153 HE2 TYR 18 HE2 TYR 18 3.817 -3.255 -3.438
154 HH TYR 18 HH TYR 18 7.033 -3.714 -2.024
155 H TYR 19 H TYR 19 1.157 0.636 -2.203
156 HA TYR 19 HA TYR 19 0.653 -0.496 0.471
157 HB2 TYR 19 HB2 TYR 19 -1.203 1.147 -1.216
158 HB3 TYR 19 HB3 TYR 19 -1.850 -0.343 -0.573
159 HD1 TYR 19 HD1 TYR 19 0.011 2.706 0.552
160 HD2 TYR 19 HD2 TYR 19 -2.697 -0.455 1.593
161 HE1 TYR 19 HE1 TYR 19 -0.483 3.829 2.740
162 HE2 TYR 19 HE2 TYR 19 -3.238 0.684 3.744
163 HH TYR 19 HH TYR 19 -2.080 3.977 4.470
164 H PHE 20 H PHE 20 -0.181 -2.526 0.432
165 HA PHE 20 HA PHE 20 -0.107 -4.008 -2.161
166 HB2 PHE 20 HB2 PHE 20 1.982 -4.122 -0.833
167 HB3 PHE 20 HB3 PHE 20 1.066 -4.763 0.535
168 HD1 PHE 20 HD1 PHE 20 0.097 -7.073 0.429
169 HD2 PHE 20 HD2 PHE 20 2.578 -5.486 -2.713
170 HE1 PHE 20 HE1 PHE 20 0.321 -9.353 -0.561
171 HE2 PHE 20 HE2 PHE 20 2.703 -7.750 -3.755
172 HZ PHE 20 HZ PHE 20 1.538 -9.673 -2.673
173 H ASN 21 H ASN 21 -1.834 -5.333 -2.443
174 HA ASN 21 HA ASN 21 -3.764 -5.553 -0.213
175 HB2 ASN 21 HB2 ASN 21 -4.502 -4.770 -2.514
176 HB3 ASN 21 HB3 ASN 21 -4.196 -6.399 -3.068
177 HD21 ASN 21 HD21 ASN 21 -6.657 -4.391 -1.863
178 HD22 ASN 21 HD22 ASN 21 -7.633 -5.682 -1.171
179 H HIS 22 H HIS 22 -2.978 -7.145 1.169
180 HA HIS 22 HA HIS 22 -1.734 -9.535 -0.012
181 HB2 HIS 22 HB2 HIS 22 -1.460 -10.291 2.302
182 HB3 HIS 22 HB3 HIS 22 -0.787 -8.706 1.998
183 HD2 HIS 22 HD2 HIS 22 -1.367 -6.859 3.638
184 HE1 HIS 22 HE1 HIS 22 -4.405 -8.857 5.847
185 HE2 HIS 22 HE2 HIS 22 -2.725 -6.888 5.851
186 H ILE 23 H ILE 23 -4.922 -8.726 0.160
187 HA ILE 23 HA ILE 23 -5.851 -11.527 0.483
188 HB ILE 23 HB ILE 23 -7.158 -8.809 0.445
189 HG12 ILE 23 HG12 ILE 23 -7.136 -11.187 2.355
190 HG13 ILE 23 HG13 ILE 23 -6.280 -9.662 2.560
191 HG21 ILE 23 HG21 ILE 23 -8.693 -11.402 0.184
192 HG22 ILE 23 HG22 ILE 23 -9.358 -9.764 0.460
193 HG23 ILE 23 HG23 ILE 23 -8.551 -10.128 -1.058
194 HD11 ILE 23 HD11 ILE 23 -9.272 -10.140 2.748
195 HD12 ILE 23 HD12 ILE 23 -8.160 -9.594 4.010
196 HD13 ILE 23 HD13 ILE 23 -8.560 -8.515 2.660
197 H THR 24 H THR 24 -5.491 -9.005 -2.059
198 HA THR 24 HA THR 24 -6.284 -11.061 -4.086
199 HB THR 24 HB THR 24 -6.446 -9.300 -5.672
200 HG1 THR 24 HG1 THR 24 -6.080 -7.151 -5.017
201 HG21 THR 24 HG21 THR 24 -8.386 -9.579 -4.117
202 HG22 THR 24 HG22 THR 24 -7.728 -8.276 -3.105
203 HG23 THR 24 HG23 THR 24 -8.239 -7.940 -4.774
204 H ASN 25 H ASN 25 -3.467 -9.464 -2.952
205 HA ASN 25 HA ASN 25 -1.284 -9.756 -3.256
206 HB2 ASN 25 HB2 ASN 25 -1.733 -11.231 -5.880
207 HB3 ASN 25 HB3 ASN 25 -0.228 -11.071 -4.993
208 HD21 ASN 25 HD22 ASN 25 -3.374 -12.629 -5.013
209 HD22 ASN 25 HD21 ASN 25 -2.918 -13.888 -3.842
210 H ALA 26 H ALA 26 -3.294 -7.750 -4.779
211 HA ALA 26 HA ALA 26 -1.627 -6.644 -6.853
212 HB1 ALA 26 HB1 ALA 26 -4.087 -6.339 -6.690
213 HB2 ALA 26 HB2 ALA 26 -3.857 -5.349 -5.226
214 HB3 ALA 26 HB3 ALA 26 -3.232 -4.789 -6.790
215 H SER 27 H SER 27 -0.732 -4.401 -6.857
216 HA SER 27 HA SER 27 0.035 -3.223 -4.259
217 HB2 SER 27 HB2 SER 27 2.259 -2.622 -5.236
218 HB3 SER 27 HB3 SER 27 2.064 -4.291 -4.734
219 HG SER 27 HG SER 27 1.616 -3.359 -7.397
220 H GLN 28 H GLN 28 -0.067 -1.010 -4.289
221 HA GLN 28 HA GLN 28 -0.251 0.513 -6.811
222 HB2 GLN 28 HB2 GLN 28 -2.512 -0.379 -6.337
223 HB3 GLN 28 HB3 GLN 28 -2.485 0.355 -4.724
224 HG2 GLN 28 HG2 GLN 28 -2.538 2.570 -5.680
225 HG3 GLN 28 HG3 GLN 28 -2.233 1.933 -7.306
226 HE21 GLN 28 HE22 GLN 28 -4.214 3.347 -7.718
227 HE22 GLN 28 HE21 GLN 28 -5.775 2.512 -7.518
228 H PHE 29 H PHE 29 0.174 2.892 -6.350
229 HA PHE 29 HA PHE 29 1.753 3.088 -3.821
230 HB2 PHE 29 HB2 PHE 29 1.764 4.709 -6.361
231 HB3 PHE 29 HB3 PHE 29 2.610 5.171 -4.895
232 HD1 PHE 29 HD2 PHE 29 2.682 1.487 -5.751
233 HD2 PHE 29 HD1 PHE 29 4.690 5.319 -6.132
234 HE1 PHE 29 HE2 PHE 29 4.610 0.392 -6.709
235 HE2 PHE 29 HE1 PHE 29 6.684 4.149 -7.012
236 HZ PHE 29 HZ PHE 29 6.643 1.685 -7.330
237 H GLU 30 H GLU 30 -0.975 4.459 -5.500
238 HA GLU 30 HA GLU 30 -1.733 6.495 -3.669
239 HB2 GLU 30 HB2 GLU 30 -3.701 4.775 -5.184
240 HB3 GLU 30 HB3 GLU 30 -3.826 6.461 -4.720
241 HG2 GLU 30 HG2 GLU 30 -3.401 6.700 -6.963
242 HG3 GLU 30 HG3 GLU 30 -1.757 6.802 -6.348
243 H ARG 31 H ARG 31 -2.521 6.359 -1.663
244 HA ARG 31 HA ARG 31 -2.545 3.746 -0.345
245 HB2 ARG 31 HB2 ARG 31 -2.644 6.580 0.750
246 HB3 ARG 31 HB3 ARG 31 -2.418 5.120 1.699
247 HG2 ARG 31 HG2 ARG 31 -0.180 5.271 1.362
248 HG3 ARG 31 HG3 ARG 31 -0.416 4.981 -0.344
249 HD2 ARG 31 HD2 ARG 31 0.921 6.927 0.096
250 HD3 ARG 31 HD3 ARG 31 -0.613 7.447 -0.655
251 HE ARG 31 HE ARG 31 -0.832 7.448 2.234
252 HH11 ARG 31 HH21 ARG 31 0.618 9.521 -0.197
253 HH12 ARG 31 HH22 ARG 31 0.472 10.922 0.842
254 HH21 ARG 31 HH11 ARG 31 -0.984 8.991 3.379
255 HH22 ARG 31 HH12 ARG 31 -0.466 10.649 2.974
256 HA PRO 32 HA PRO 32 -7.101 3.646 -0.395
257 HB2 PRO 32 HB2 PRO 32 -6.363 1.409 1.503
258 HB3 PRO 32 HB3 PRO 32 -7.737 1.463 0.377
259 HG2 PRO 32 HG2 PRO 32 -5.740 0.214 -0.479
260 HG3 PRO 32 HG3 PRO 32 -6.162 1.444 -1.552
261 HD2 PRO 32 HD2 PRO 32 -3.981 1.729 0.525
262 HD3 PRO 32 HD3 PRO 32 -3.934 2.163 -1.209
263 H SER 33 H SER 33 -5.178 3.655 2.577
264 HA SER 33 HA SER 33 -7.128 5.414 3.917
265 HB2 SER 33 HB2 SER 33 -6.628 2.603 4.985
266 HB3 SER 33 HB3 SER 33 -7.522 3.889 5.826
267 HG SER 33 HG SER 33 -8.398 3.669 3.307
268 H GLY 34 H GLY 34 -4.914 6.476 3.409
269 HA2 GLY 34 HA2 GLY 34 -3.660 7.905 4.868
270 HA3 GLY 34 HA3 GLY 34 -3.467 6.578 6.017
271 H1 NAG 101 H1 NAG 35 11.157 2.331 -4.446
272 H2 NAG 101 H2 NAG 35 12.137 3.387 -7.155
273 H3 NAG 101 H3 NAG 35 9.290 2.710 -6.261
274 H4 NAG 101 H4 NAG 35 11.117 1.376 -8.330
275 H5 NAG 101 H5 NAG 35 10.048 0.410 -5.654
276 H61 NAG 101 H61 NAG 35 10.232 -1.556 -7.070
277 H62 NAG 101 H62 NAG 35 11.776 -0.990 -7.736
278 H81 NAG 101 H2M NAG 35 10.862 7.909 -6.590
279 H82 NAG 101 H3M NAG 35 11.723 7.230 -5.192
280 H83 NAG 101 H1M NAG 35 9.951 7.097 -5.299
281 HN2 NAG 101 H2N NAG 35 11.086 4.774 -4.836
282 HO3 NAG 101 H3O NAG 35 10.109 4.406 -8.129
283 HO4 NAG 101 H4O NAG 35 8.783 1.620 -8.584
284 HO6 NAG 101 H6O NAG 35 12.440 -0.956 -5.405
Start of MODEL 16
1 H1 LYS 1 H1 LYS 1 -10.700 6.718 0.155
2 H2 LYS 1 H2 LYS 1 -9.329 6.000 0.605
3 H3 LYS 1 H3 LYS 1 -10.783 5.251 0.890
4 HA LYS 1 HA LYS 1 -11.030 5.514 -1.680
5 HB2 LYS 1 HB2 LYS 1 -8.027 5.502 -1.255
6 HB3 LYS 1 HB3 LYS 1 -8.809 5.043 -2.779
7 HG2 LYS 1 HG2 LYS 1 -9.866 7.197 -3.003
8 HG3 LYS 1 HG3 LYS 1 -9.186 7.773 -1.480
9 HD2 LYS 1 HD2 LYS 1 -7.236 6.677 -3.509
10 HD3 LYS 1 HD3 LYS 1 -8.058 8.171 -3.924
11 HE2 LYS 1 HE2 LYS 1 -5.909 8.627 -2.894
12 HE3 LYS 1 HE3 LYS 1 -7.236 9.305 -1.957
13 HZ1 LYS 1 HZ1 LYS 1 -6.902 7.700 -0.262
14 HZ2 LYS 1 HZ2 LYS 1 -5.981 6.712 -1.183
15 HZ3 LYS 1 HZ3 LYS 1 -5.362 8.150 -0.794
16 H LEU 2 H LEU 2 -8.399 3.289 -1.583
17 HA LEU 2 HA LEU 2 -10.230 1.312 -2.211
18 HB2 LEU 2 HB2 LEU 2 -7.442 0.404 -1.834
19 HB3 LEU 2 HB3 LEU 2 -8.606 -0.019 -2.963
20 HG LEU 2 HG LEU 2 -8.564 2.129 -4.150
21 HD11 LEU 2 HD11 LEU 2 -6.609 3.446 -4.215
22 HD12 LEU 2 HD12 LEU 2 -6.989 3.389 -2.485
23 HD13 LEU 2 HD13 LEU 2 -5.725 2.354 -3.147
24 HD21 LEU 2 HD21 LEU 2 -6.650 1.331 -5.508
25 HD22 LEU 2 HD22 LEU 2 -6.131 0.293 -4.164
26 HD23 LEU 2 HD23 LEU 2 -7.673 -0.013 -5.004
27 HA PRO 3 HA PRO 3 -11.488 -1.130 1.009
28 HB2 PRO 3 HB2 PRO 3 -10.257 -3.534 -0.363
29 HB3 PRO 3 HB3 PRO 3 -11.959 -3.346 0.185
30 HG2 PRO 3 HG2 PRO 3 -11.399 -3.099 -2.398
31 HG3 PRO 3 HG3 PRO 3 -12.376 -1.782 -1.636
32 HD2 PRO 3 HD2 PRO 3 -9.344 -1.882 -1.999
33 HD3 PRO 3 HD3 PRO 3 -10.474 -0.631 -2.555
34 HA PRO 4 HA PRO 4 -8.955 -3.128 4.212
35 HB2 PRO 4 HB2 PRO 4 -11.152 -5.212 4.135
36 HB3 PRO 4 HB3 PRO 4 -10.394 -4.435 5.562
37 HG2 PRO 4 HG2 PRO 4 -12.827 -3.613 4.707
38 HG3 PRO 4 HG3 PRO 4 -11.591 -2.398 5.175
39 HD2 PRO 4 HD2 PRO 4 -12.362 -3.328 2.405
40 HD3 PRO 4 HD3 PRO 4 -12.063 -1.666 3.002
41 H GLY 5 H GLY 5 -7.354 -4.746 4.092
42 HA2 GLY 5 HA2 GLY 5 -6.515 -6.906 3.073
43 HA3 GLY 5 HA3 GLY 5 -7.349 -6.423 1.607
44 H TRP 6 H TRP 6 -6.683 -3.457 1.534
45 HA TRP 6 HA TRP 6 -3.884 -3.625 0.766
46 HB2 TRP 6 HB2 TRP 6 -5.787 -1.388 1.268
47 HB3 TRP 6 HB3 TRP 6 -4.178 -1.211 0.594
48 HD1 TRP 6 HD1 TRP 6 -7.624 -1.781 -0.546
49 HE1 TRP 6 HE1 TRP 6 -7.673 -2.003 -3.043
50 HE3 TRP 6 HE3 TRP 6 -2.666 -1.988 -1.284
51 HZ2 TRP 6 HZ2 TRP 6 -5.711 -2.320 -5.215
52 HZ3 TRP 6 HZ3 TRP 6 -1.759 -1.947 -3.519
53 HH2 TRP 6 HH2 TRP 6 -3.237 -2.172 -5.546
54 H GLU 7 H GLU 7 -2.081 -3.056 1.850
55 HA GLU 7 HA GLU 7 -2.206 -1.685 4.475
56 HB2 GLU 7 HB2 GLU 7 -2.442 -4.242 4.659
57 HB3 GLU 7 HB3 GLU 7 -0.767 -4.350 4.138
58 HG2 GLU 7 HG2 GLU 7 -1.796 -2.845 6.593
59 HG3 GLU 7 HG3 GLU 7 -1.220 -4.508 6.618
60 H LYS 8 H LYS 8 0.015 -0.958 5.170
61 HA LYS 8 HA LYS 8 1.345 0.380 2.997
62 HB2 LYS 8 HB2 LYS 8 1.287 1.561 4.957
63 HB3 LYS 8 HB3 LYS 8 1.613 0.214 5.991
64 HG2 LYS 8 HG2 LYS 8 3.708 1.508 4.195
65 HG3 LYS 8 HG3 LYS 8 3.357 2.012 5.841
66 HD2 LYS 8 HD2 LYS 8 4.729 -0.542 4.969
67 HD3 LYS 8 HD3 LYS 8 5.296 0.750 5.976
68 HE2 LYS 8 HE2 LYS 8 4.966 -0.976 7.456
69 HE3 LYS 8 HE3 LYS 8 3.556 0.051 7.727
70 HZ1 LYS 8 HZ1 LYS 8 3.298 -2.542 7.427
71 HZ2 LYS 8 HZ2 LYS 8 2.159 -1.586 6.804
72 HZ3 LYS 8 HZ3 LYS 8 3.268 -2.190 5.817
73 H ARG 9 H ARG 9 3.373 0.118 2.081
74 HA ARG 9 HA ARG 9 4.962 -2.265 2.821
75 HB2 ARG 9 HB2 ARG 9 3.018 -2.563 0.970
76 HB3 ARG 9 HB3 ARG 9 4.191 -1.811 -0.074
77 HG2 ARG 9 HG2 ARG 9 4.203 -4.259 -0.189
78 HG3 ARG 9 HG3 ARG 9 5.759 -3.652 0.328
79 HD2 ARG 9 HD2 ARG 9 4.915 -5.721 1.547
80 HD3 ARG 9 HD3 ARG 9 5.535 -4.411 2.526
81 HE ARG 9 HE ARG 9 3.253 -3.782 3.180
82 HH11 ARG 9 HH11 ARG 9 3.326 -6.897 1.602
83 HH12 ARG 9 HH12 ARG 9 2.100 -7.560 2.648
84 HH21 ARG 9 HH21 ARG 9 1.707 -4.694 4.584
85 HH22 ARG 9 HH22 ARG 9 1.138 -6.271 4.170
86 H MET 10 H MET 10 7.153 -2.254 1.867
87 HA MET 10 HA MET 10 8.052 0.476 1.136
88 HB2 MET 10 HB2 MET 10 8.128 -0.035 3.652
89 HB3 MET 10 HB3 MET 10 9.402 -1.201 3.268
90 HG2 MET 10 HG2 MET 10 10.695 0.705 2.207
91 HG3 MET 10 HG3 MET 10 9.427 1.800 2.714
92 HE1 MET 10 HE1 MET 10 10.656 3.430 4.126
93 HE2 MET 10 HE2 MET 10 11.884 3.022 5.346
94 HE3 MET 10 HE3 MET 10 12.197 2.697 3.629
95 H PHE 11 H PHE 11 9.806 0.601 -0.196
96 HA PHE 11 HA PHE 11 10.609 -1.890 -1.533
97 HB2 PHE 11 HB2 PHE 11 10.939 1.044 -2.139
98 HB3 PHE 11 HB3 PHE 11 11.611 -0.231 -3.131
99 HD1 PHE 11 HD1 PHE 11 9.955 -2.118 -3.920
100 HD2 PHE 11 HD2 PHE 11 8.684 1.804 -2.627
101 HE1 PHE 11 HE1 PHE 11 7.955 -2.267 -5.387
102 HE2 PHE 11 HE2 PHE 11 6.827 1.725 -4.251
103 HZ PHE 11 HZ PHE 11 6.433 -0.333 -5.587
104 H ARG 12 H ARG 12 12.137 -2.909 -0.276
105 HA ARG 12 HA ARG 12 14.526 -1.717 0.707
106 HB2 ARG 12 HB2 ARG 12 15.516 -4.035 0.451
107 HB3 ARG 12 HB3 ARG 12 14.108 -3.852 1.471
108 HG2 ARG 12 HG2 ARG 12 13.951 -5.905 0.326
109 HG3 ARG 12 HG3 ARG 12 12.656 -4.878 -0.247
110 HD2 ARG 12 HD2 ARG 12 15.247 -5.055 -1.812
111 HD3 ARG 12 HD3 ARG 12 14.121 -6.398 -1.874
112 HE ARG 12 HE ARG 12 13.712 -3.663 -2.931
113 HH11 ARG 12 HH11 ARG 12 12.210 -6.787 -2.447
114 HH12 ARG 12 HH12 ARG 12 11.036 -6.558 -3.717
115 HH21 ARG 12 HH21 ARG 12 12.297 -3.451 -4.653
116 HH22 ARG 12 HH22 ARG 12 11.068 -4.666 -4.911
117 H SER 13 H SER 13 16.576 -1.527 -0.146
118 HA SER 13 HA SER 13 18.229 -1.112 -1.624
119 HB2 SER 13 HB2 SER 13 18.157 -1.250 -3.998
120 HB3 SER 13 HB3 SER 13 17.404 -2.704 -3.324
121 HG SER 13 HG SER 13 15.387 -1.671 -3.609
122 H ASN 14 H ASN 14 15.174 0.669 -1.597
123 HA ASN 14 HA ASN 14 16.904 3.066 -1.733
124 HB2 ASN 14 HB2 ASN 14 15.578 4.250 -3.333
125 HB3 ASN 14 HB3 ASN 14 16.118 2.731 -4.033
126 HD21 ASN 14 HD21 ASN 14 14.459 2.637 -5.617
127 H GLY 15 H GLY 15 13.932 1.629 -0.450
128 HA2 GLY 15 HA2 GLY 15 13.123 2.133 1.661
129 HA3 GLY 15 HA3 GLY 15 13.989 3.670 1.693
130 H THR 16 H THR 16 12.296 3.215 -1.235
131 HA THR 16 HA THR 16 10.277 5.224 -0.821
132 HB THR 16 HB THR 16 10.428 2.942 -2.824
133 HG1 THR 16 HG1 THR 16 12.143 4.114 -3.007
134 HG21 THR 16 HG21 THR 16 8.818 5.504 -3.054
135 HG22 THR 16 HG22 THR 16 9.082 4.287 -4.332
136 HG23 THR 16 HG23 THR 16 8.156 3.853 -2.911
137 H VAL 17 H VAL 17 7.865 4.680 -0.992
138 HA VAL 17 HA VAL 17 7.090 2.368 0.665
139 HB VAL 17 HB VAL 17 6.609 5.276 1.355
140 HG11 VAL 17 HG11 VAL 17 4.972 4.562 3.076
141 HG12 VAL 17 HG12 VAL 17 4.352 4.329 1.445
142 HG13 VAL 17 HG13 VAL 17 4.946 2.932 2.377
143 HG21 VAL 17 HG21 VAL 17 7.362 2.833 3.020
144 HG22 VAL 17 HG22 VAL 17 8.522 4.042 2.407
145 HG23 VAL 17 HG23 VAL 17 7.298 4.513 3.594
146 H TYR 18 H TYR 18 4.971 1.744 0.357
147 HA TYR 18 HA TYR 18 3.189 3.018 -1.534
148 HB2 TYR 18 HB2 TYR 18 3.184 1.277 -3.174
149 HB3 TYR 18 HB3 TYR 18 4.791 1.937 -3.061
150 HD1 TYR 18 HD1 TYR 18 6.421 0.505 -1.364
151 HD2 TYR 18 HD2 TYR 18 2.982 -0.948 -3.523
152 HE1 TYR 18 HE1 TYR 18 7.392 -1.746 -1.362
153 HE2 TYR 18 HE2 TYR 18 3.978 -3.259 -3.505
154 HH TYR 18 HH TYR 18 7.181 -3.893 -2.082
155 H TYR 19 H TYR 19 1.471 0.816 -2.028
156 HA TYR 19 HA TYR 19 0.942 -0.385 0.601
157 HB2 TYR 19 HB2 TYR 19 -0.838 1.473 -0.947
158 HB3 TYR 19 HB3 TYR 19 -1.574 0.024 -0.294
159 HD1 TYR 19 HD1 TYR 19 0.622 2.902 0.806
160 HD2 TYR 19 HD2 TYR 19 -2.335 -0.041 1.921
161 HE1 TYR 19 HE1 TYR 19 0.549 3.817 3.108
162 HE2 TYR 19 HE2 TYR 19 -2.553 1.011 4.146
163 HH TYR 19 HH TYR 19 -1.784 2.667 5.548
164 H PHE 20 H PHE 20 -0.047 -2.336 0.490
165 HA PHE 20 HA PHE 20 -0.080 -3.756 -2.125
166 HB2 PHE 20 HB2 PHE 20 2.061 -3.968 -0.951
167 HB3 PHE 20 HB3 PHE 20 1.256 -4.546 0.498
168 HD1 PHE 20 HD2 PHE 20 2.226 -5.388 -2.975
169 HD2 PHE 20 HD1 PHE 20 0.370 -6.853 0.631
170 HE1 PHE 20 HE2 PHE 20 2.321 -7.705 -3.864
171 HE2 PHE 20 HE1 PHE 20 0.569 -9.185 -0.234
172 HZ PHE 20 HZ PHE 20 1.505 -9.603 -2.474
173 H ASN 21 H ASN 21 -1.830 -4.972 -2.376
174 HA ASN 21 HA ASN 21 -3.707 -5.343 -0.142
175 HB2 ASN 21 HB2 ASN 21 -4.395 -4.726 -2.524
176 HB3 ASN 21 HB3 ASN 21 -4.018 -6.386 -2.944
177 HD21 ASN 21 HD22 ASN 21 -6.525 -4.331 -1.775
178 HD22 ASN 21 HD21 ASN 21 -7.488 -5.632 -1.087
179 H HIS 22 H HIS 22 -2.988 -6.819 1.345
180 HA HIS 22 HA HIS 22 -1.491 -9.184 0.456
181 HB2 HIS 22 HB2 HIS 22 -1.381 -9.780 2.793
182 HB3 HIS 22 HB3 HIS 22 -0.941 -8.098 2.566
183 HD2 HIS 22 HD2 HIS 22 -2.300 -6.291 3.850
184 HE1 HIS 22 HE1 HIS 22 -5.242 -8.816 5.622
185 HE2 HIS 22 HE2 HIS 22 -4.276 -6.445 5.586
186 H ILE 23 H ILE 23 -4.763 -8.521 0.338
187 HA ILE 23 HA ILE 23 -5.595 -11.340 0.712
188 HB ILE 23 HB ILE 23 -6.998 -8.670 0.538
189 HG12 ILE 23 HG12 ILE 23 -6.968 -10.965 2.539
190 HG13 ILE 23 HG13 ILE 23 -6.164 -9.407 2.701
191 HG21 ILE 23 HG21 ILE 23 -9.163 -9.718 0.510
192 HG22 ILE 23 HG22 ILE 23 -8.286 -10.093 -0.966
193 HG23 ILE 23 HG23 ILE 23 -8.418 -11.332 0.311
194 HD11 ILE 23 HD11 ILE 23 -8.474 -8.319 2.665
195 HD12 ILE 23 HD12 ILE 23 -9.145 -9.958 2.814
196 HD13 ILE 23 HD13 ILE 23 -8.090 -9.318 4.082
197 H THR 24 H THR 24 -5.226 -8.902 -1.890
198 HA THR 24 HA THR 24 -5.892 -11.044 -3.881
199 HB THR 24 HB THR 24 -6.243 -9.338 -5.486
200 HG1 THR 24 HG1 THR 24 -6.061 -7.147 -4.875
201 HG21 THR 24 HG21 THR 24 -8.119 -9.745 -3.877
202 HG22 THR 24 HG22 THR 24 -7.556 -8.359 -2.918
203 HG23 THR 24 HG23 THR 24 -8.130 -8.119 -4.583
204 H ASN 25 H ASN 25 -3.221 -9.177 -2.806
205 HA ASN 25 HA ASN 25 -1.024 -9.267 -3.164
206 HB2 ASN 25 HB2 ASN 25 -1.386 -10.876 -5.712
207 HB3 ASN 25 HB3 ASN 25 0.115 -10.533 -4.874
208 HD21 ASN 25 HD22 ASN 25 -2.861 -12.382 -4.744
209 HD22 ASN 25 HD21 ASN 25 -2.274 -13.517 -3.508
210 H ALA 26 H ALA 26 -3.221 -7.474 -4.711
211 HA ALA 26 HA ALA 26 -1.692 -6.246 -6.813
212 HB1 ALA 26 HB1 ALA 26 -3.397 -4.484 -6.658
213 HB2 ALA 26 HB2 ALA 26 -4.157 -6.081 -6.550
214 HB3 ALA 26 HB3 ALA 26 -3.923 -5.104 -5.079
215 H SER 27 H SER 27 -0.853 -3.968 -6.824
216 HA SER 27 HA SER 27 0.015 -2.839 -4.225
217 HB2 SER 27 HB2 SER 27 2.250 -2.355 -5.199
218 HB3 SER 27 HB3 SER 27 1.963 -4.036 -4.789
219 HG SER 27 HG SER 27 1.517 -2.933 -7.384
220 H GLN 28 H GLN 28 -0.014 -0.627 -4.188
221 HA GLN 28 HA GLN 28 0.441 0.922 -6.589
222 HB2 GLN 28 HB2 GLN 28 -1.493 2.311 -6.515
223 HB3 GLN 28 HB3 GLN 28 -2.004 0.656 -6.804
224 HG2 GLN 28 HG2 GLN 28 -3.093 0.486 -4.743
225 HG3 GLN 28 HG3 GLN 28 -2.049 1.659 -3.949
226 HE21 GLN 28 HE22 GLN 28 -3.042 3.594 -3.486
227 HE22 GLN 28 HE21 GLN 28 -4.287 4.284 -4.552
228 H PHE 29 H PHE 29 0.826 3.303 -5.989
229 HA PHE 29 HA PHE 29 2.266 3.168 -3.455
230 HB2 PHE 29 HB2 PHE 29 2.308 5.201 -5.662
231 HB3 PHE 29 HB3 PHE 29 3.279 5.281 -4.203
232 HD1 PHE 29 HD2 PHE 29 3.089 1.756 -5.394
233 HD2 PHE 29 HD1 PHE 29 5.120 5.570 -5.868
234 HE1 PHE 29 HE2 PHE 29 4.818 0.688 -6.700
235 HE2 PHE 29 HE1 PHE 29 6.937 4.412 -7.082
236 HZ PHE 29 HZ PHE 29 6.784 1.975 -7.527
237 H GLU 30 H GLU 30 -0.676 4.880 -4.446
238 HA GLU 30 HA GLU 30 -0.575 6.548 -2.016
239 HB2 GLU 30 HB2 GLU 30 -1.935 6.739 -4.481
240 HB3 GLU 30 HB3 GLU 30 -3.203 6.384 -3.327
241 HG2 GLU 30 HG2 GLU 30 -1.181 8.662 -3.118
242 HG3 GLU 30 HG3 GLU 30 -2.842 8.810 -3.695
243 H ARG 31 H ARG 31 -2.268 6.468 -0.434
244 HA ARG 31 HA ARG 31 -2.482 3.721 0.567
245 HB2 ARG 31 HB2 ARG 31 -3.601 6.078 2.034
246 HB3 ARG 31 HB3 ARG 31 -2.924 4.625 2.679
247 HG2 ARG 31 HG2 ARG 31 -0.857 5.486 2.848
248 HG3 ARG 31 HG3 ARG 31 -0.847 6.181 1.248
249 HD2 ARG 31 HD2 ARG 31 -2.052 7.344 3.802
250 HD3 ARG 31 HD3 ARG 31 -0.622 7.918 2.944
251 HE ARG 31 HE ARG 31 -2.100 8.504 1.018
252 HH11 ARG 31 HH21 ARG 31 -3.960 8.002 4.040
253 HH12 ARG 31 HH22 ARG 31 -5.401 8.533 3.132
254 HH21 ARG 31 HH12 ARG 31 -4.010 9.288 0.243
255 HH22 ARG 31 HH11 ARG 31 -5.406 9.265 1.383
256 HA PRO 32 HA PRO 32 -6.983 3.228 0.021
257 HB2 PRO 32 HB2 PRO 32 -5.958 0.934 1.753
258 HB3 PRO 32 HB3 PRO 32 -7.394 0.925 0.692
259 HG2 PRO 32 HG2 PRO 32 -5.438 0.207 -0.666
260 HG3 PRO 32 HG3 PRO 32 -6.033 1.694 -1.196
261 HD2 PRO 32 HD2 PRO 32 -3.797 1.488 0.849
262 HD3 PRO 32 HD3 PRO 32 -3.732 2.286 -0.756
263 H SER 33 H SER 33 -8.733 2.345 1.808
264 HA SER 33 HA SER 33 -10.152 3.062 3.340
265 HB2 SER 33 HB2 SER 33 -7.707 3.666 5.029
266 HB3 SER 33 HB3 SER 33 -9.384 3.625 5.601
267 HG SER 33 HG SER 33 -8.238 1.622 5.875
268 H GLY 34 H GLY 34 -7.564 5.527 3.599
269 HA2 GLY 34 HA2 GLY 34 -9.573 7.709 3.068
270 HA3 GLY 34 HA3 GLY 34 -8.120 7.917 4.050
271 H1 NAG 101 H1 NAG 35 11.785 1.949 -4.488
272 H2 NAG 101 H2 NAG 35 12.438 2.895 -7.325
273 H3 NAG 101 H3 NAG 35 9.795 1.871 -6.160
274 H4 NAG 101 H4 NAG 35 11.667 0.587 -8.223
275 H5 NAG 101 H5 NAG 35 10.994 -0.215 -5.370
276 H61 NAG 101 H61 NAG 35 11.377 -2.258 -6.665
277 H62 NAG 101 H62 NAG 35 12.849 -1.562 -7.372
278 H81 NAG 101 H2M NAG 35 10.632 7.222 -6.984
279 H82 NAG 101 H3M NAG 35 11.509 6.706 -5.527
280 H83 NAG 101 H1M NAG 35 9.758 6.421 -5.660
281 HN2 NAG 101 H2N NAG 35 11.356 4.296 -5.036
282 HO3 NAG 101 H3O NAG 35 10.189 3.466 -8.205
283 HO4 NAG 101 H4O NAG 35 9.290 0.427 -8.246
284 HO6 NAG 101 H6O NAG 35 13.608 -1.292 -5.179
Start of MODEL 17
1 H1 LYS 1 H1 LYS 1 -7.431 6.611 -0.128
2 H2 LYS 1 H2 LYS 1 -7.223 5.969 -1.627
3 H3 LYS 1 H3 LYS 1 -6.934 5.081 -0.254
4 HA LYS 1 HA LYS 1 -9.217 5.188 0.413
5 HB2 LYS 1 HB2 LYS 1 -10.900 6.168 -1.244
6 HB3 LYS 1 HB3 LYS 1 -9.935 7.233 -0.253
7 HG2 LYS 1 HG2 LYS 1 -10.152 8.203 -2.408
8 HG3 LYS 1 HG3 LYS 1 -8.471 7.796 -2.145
9 HD2 LYS 1 HD2 LYS 1 -8.746 5.805 -3.663
10 HD3 LYS 1 HD3 LYS 1 -10.458 6.227 -3.854
11 HE2 LYS 1 HE2 LYS 1 -9.413 7.086 -5.783
12 HE3 LYS 1 HE3 LYS 1 -9.642 8.493 -4.729
13 HZ1 LYS 1 HZ1 LYS 1 -7.103 6.975 -5.182
14 HZ2 LYS 1 HZ2 LYS 1 -7.388 8.586 -5.476
15 HZ3 LYS 1 HZ3 LYS 1 -7.273 7.913 -3.944
16 H LEU 2 H LEU 2 -8.594 2.888 0.193
17 HA LEU 2 HA LEU 2 -10.096 1.639 -1.911
18 HB2 LEU 2 HB2 LEU 2 -7.373 0.463 -1.830
19 HB3 LEU 2 HB3 LEU 2 -8.614 0.243 -2.906
20 HG LEU 2 HG LEU 2 -8.545 2.351 -3.987
21 HD11 LEU 2 HD11 LEU 2 -6.873 3.496 -2.297
22 HD12 LEU 2 HD12 LEU 2 -5.648 2.619 -3.218
23 HD13 LEU 2 HD13 LEU 2 -6.716 3.762 -4.041
24 HD21 LEU 2 HD21 LEU 2 -6.121 0.511 -4.141
25 HD22 LEU 2 HD22 LEU 2 -7.698 0.237 -4.920
26 HD23 LEU 2 HD23 LEU 2 -6.701 1.589 -5.432
27 HA PRO 3 HA PRO 3 -11.594 -1.256 0.787
28 HB2 PRO 3 HB2 PRO 3 -10.165 -3.448 -0.759
29 HB3 PRO 3 HB3 PRO 3 -11.889 -3.447 -0.234
30 HG2 PRO 3 HG2 PRO 3 -11.339 -2.837 -2.756
31 HG3 PRO 3 HG3 PRO 3 -12.379 -1.672 -1.846
32 HD2 PRO 3 HD2 PRO 3 -9.350 -1.593 -2.212
33 HD3 PRO 3 HD3 PRO 3 -10.513 -0.299 -2.577
34 HA PRO 4 HA PRO 4 -9.105 -3.293 3.976
35 HB2 PRO 4 HB2 PRO 4 -10.759 -5.434 4.617
36 HB3 PRO 4 HB3 PRO 4 -10.975 -3.764 5.225
37 HG2 PRO 4 HG2 PRO 4 -12.338 -5.085 2.865
38 HG3 PRO 4 HG3 PRO 4 -13.079 -4.096 4.166
39 HD2 PRO 4 HD2 PRO 4 -12.524 -3.011 1.784
40 HD3 PRO 4 HD3 PRO 4 -12.177 -2.088 3.268
41 H GLY 5 H GLY 5 -7.558 -4.890 3.886
42 HA2 GLY 5 HA2 GLY 5 -6.683 -7.032 2.876
43 HA3 GLY 5 HA3 GLY 5 -7.480 -6.541 1.393
44 H TRP 6 H TRP 6 -6.813 -3.549 1.387
45 HA TRP 6 HA TRP 6 -4.010 -3.733 0.682
46 HB2 TRP 6 HB2 TRP 6 -5.879 -1.452 1.182
47 HB3 TRP 6 HB3 TRP 6 -4.254 -1.297 0.551
48 HD1 TRP 6 HD1 TRP 6 -7.665 -1.658 -0.665
49 HE1 TRP 6 HE1 TRP 6 -7.668 -1.853 -3.198
50 HE3 TRP 6 HE3 TRP 6 -2.721 -2.226 -1.334
51 HZ2 TRP 6 HZ2 TRP 6 -5.718 -2.226 -5.314
52 HZ3 TRP 6 HZ3 TRP 6 -1.779 -2.219 -3.568
53 HH2 TRP 6 HH2 TRP 6 -3.240 -2.268 -5.609
54 H GLU 7 H GLU 7 -2.208 -3.184 1.781
55 HA GLU 7 HA GLU 7 -2.352 -1.832 4.420
56 HB2 GLU 7 HB2 GLU 7 -2.481 -4.409 4.561
57 HB3 GLU 7 HB3 GLU 7 -0.809 -4.432 4.025
58 HG2 GLU 7 HG2 GLU 7 -1.897 -3.050 6.526
59 HG3 GLU 7 HG3 GLU 7 -1.196 -4.663 6.495
60 H LYS 8 H LYS 8 -0.148 -1.031 5.078
61 HA LYS 8 HA LYS 8 1.164 0.320 2.890
62 HB2 LYS 8 HB2 LYS 8 1.074 1.548 4.806
63 HB3 LYS 8 HB3 LYS 8 1.372 0.233 5.886
64 HG2 LYS 8 HG2 LYS 8 3.699 1.057 4.148
65 HG3 LYS 8 HG3 LYS 8 3.116 2.210 5.315
66 HD2 LYS 8 HD2 LYS 8 4.930 0.913 6.247
67 HD3 LYS 8 HD3 LYS 8 3.466 0.754 7.198
68 HE2 LYS 8 HE2 LYS 8 4.232 -1.343 5.148
69 HE3 LYS 8 HE3 LYS 8 5.008 -1.321 6.720
70 HZ1 LYS 8 HZ1 LYS 8 3.014 -1.863 7.794
71 HZ2 LYS 8 HZ2 LYS 8 2.030 -1.422 6.571
72 HZ3 LYS 8 HZ3 LYS 8 2.832 -2.737 6.393
73 H ARG 9 H ARG 9 3.208 0.061 2.000
74 HA ARG 9 HA ARG 9 4.816 -2.294 2.767
75 HB2 ARG 9 HB2 ARG 9 2.908 -2.630 0.884
76 HB3 ARG 9 HB3 ARG 9 4.085 -1.857 -0.142
77 HG2 ARG 9 HG2 ARG 9 4.134 -4.308 -0.254
78 HG3 ARG 9 HG3 ARG 9 5.675 -3.673 0.274
79 HD2 ARG 9 HD2 ARG 9 4.823 -5.762 1.482
80 HD3 ARG 9 HD3 ARG 9 5.457 -4.456 2.458
81 HE ARG 9 HE ARG 9 3.162 -3.803 3.097
82 HH11 ARG 9 HH21 ARG 9 3.231 -6.954 1.599
83 HH12 ARG 9 HH22 ARG 9 2.022 -7.588 2.683
84 HH21 ARG 9 HH12 ARG 9 1.661 -4.672 4.551
85 HH22 ARG 9 HH11 ARG 9 1.076 -6.254 4.183
86 H MET 10 H MET 10 7.038 -2.184 1.958
87 HA MET 10 HA MET 10 7.847 0.561 1.134
88 HB2 MET 10 HB2 MET 10 7.862 0.218 3.651
89 HB3 MET 10 HB3 MET 10 9.140 -0.978 3.400
90 HG2 MET 10 HG2 MET 10 10.459 0.882 2.220
91 HG3 MET 10 HG3 MET 10 9.221 2.000 2.736
92 HE1 MET 10 HE1 MET 10 11.826 3.054 3.664
93 HE2 MET 10 HE2 MET 10 10.249 3.623 4.250
94 HE3 MET 10 HE3 MET 10 11.554 3.271 5.404
95 H PHE 11 H PHE 11 9.523 0.728 -0.222
96 HA PHE 11 HA PHE 11 10.656 -1.701 -1.406
97 HB2 PHE 11 HB2 PHE 11 10.835 1.249 -2.042
98 HB3 PHE 11 HB3 PHE 11 11.611 -0.016 -2.980
99 HD1 PHE 11 HD2 PHE 11 10.104 -1.970 -3.839
100 HD2 PHE 11 HD1 PHE 11 8.551 1.878 -2.605
101 HE1 PHE 11 HE2 PHE 11 8.169 -2.241 -5.367
102 HE2 PHE 11 HE1 PHE 11 6.763 1.681 -4.292
103 HZ PHE 11 HZ PHE 11 6.540 -0.394 -5.626
104 H ARG 12 H ARG 12 12.128 -2.568 0.001
105 HA ARG 12 HA ARG 12 14.325 -1.158 1.243
106 HB2 ARG 12 HB2 ARG 12 13.683 -4.030 0.498
107 HB3 ARG 12 HB3 ARG 12 15.337 -3.608 0.901
108 HG2 ARG 12 HG2 ARG 12 14.097 -4.508 2.824
109 HG3 ARG 12 HG3 ARG 12 14.792 -2.924 3.102
110 HD2 ARG 12 HD2 ARG 12 12.565 -3.168 4.139
111 HD3 ARG 12 HD3 ARG 12 12.657 -1.837 2.996
112 HE ARG 12 HE ARG 12 10.887 -2.757 1.891
113 HH11 ARG 12 HH22 ARG 12 12.379 -5.528 3.436
114 HH12 ARG 12 HH21 ARG 12 11.175 -6.619 2.801
115 HH21 ARG 12 HH11 ARG 12 9.504 -4.050 1.125
116 HH22 ARG 12 HH12 ARG 12 9.514 -5.785 1.458
117 H SER 13 H SER 13 16.368 -0.844 0.487
118 HA SER 13 HA SER 13 18.117 -0.495 -0.886
119 HB2 SER 13 HB2 SER 13 18.301 -0.998 -3.194
120 HB3 SER 13 HB3 SER 13 17.563 -2.387 -2.380
121 HG SER 13 HG SER 13 15.530 -1.591 -3.041
122 H ASN 14 H ASN 14 14.989 1.042 -1.298
123 HA ASN 14 HA ASN 14 16.599 3.500 -1.663
124 HB2 ASN 14 HB2 ASN 14 15.321 4.436 -3.408
125 HB3 ASN 14 HB3 ASN 14 15.845 2.841 -3.923
126 HD21 ASN 14 HD21 ASN 14 14.205 2.789 -5.546
127 H GLY 15 H GLY 15 13.699 2.046 -0.297
128 HA2 GLY 15 HA2 GLY 15 12.903 2.627 1.796
129 HA3 GLY 15 HA3 GLY 15 13.644 4.222 1.712
130 H THR 16 H THR 16 12.008 3.501 -1.170
131 HA THR 16 HA THR 16 9.871 5.400 -0.817
132 HB THR 16 HB THR 16 10.188 3.130 -2.812
133 HG1 THR 16 HG1 THR 16 11.856 4.357 -2.942
134 HG21 THR 16 HG21 THR 16 8.824 4.509 -4.353
135 HG22 THR 16 HG22 THR 16 7.891 3.910 -2.995
136 HG23 THR 16 HG23 THR 16 8.440 5.609 -3.007
137 H VAL 17 H VAL 17 7.514 4.725 -1.049
138 HA VAL 17 HA VAL 17 6.810 2.395 0.610
139 HB VAL 17 HB VAL 17 6.172 5.285 1.273
140 HG11 VAL 17 HG11 VAL 17 4.582 4.478 3.002
141 HG12 VAL 17 HG12 VAL 17 3.982 4.188 1.373
142 HG13 VAL 17 HG13 VAL 17 4.668 2.843 2.317
143 HG21 VAL 17 HG21 VAL 17 7.090 2.920 2.969
144 HG22 VAL 17 HG22 VAL 17 8.161 4.203 2.346
145 HG23 VAL 17 HG23 VAL 17 6.903 4.597 3.524
146 H TYR 18 H TYR 18 4.715 1.689 0.251
147 HA TYR 18 HA TYR 18 2.920 2.919 -1.664
148 HB2 TYR 18 HB2 TYR 18 2.973 1.166 -3.298
149 HB3 TYR 18 HB3 TYR 18 4.560 1.878 -3.182
150 HD1 TYR 18 HD1 TYR 18 6.231 0.522 -1.487
151 HD2 TYR 18 HD2 TYR 18 2.837 -1.077 -3.599
152 HE1 TYR 18 HE1 TYR 18 7.289 -1.695 -1.467
153 HE2 TYR 18 HE2 TYR 18 3.897 -3.354 -3.544
154 HH TYR 18 HH TYR 18 7.210 -3.823 -2.481
155 H TYR 19 H TYR 19 1.237 0.649 -2.119
156 HA TYR 19 HA TYR 19 0.883 -0.585 0.528
157 HB2 TYR 19 HB2 TYR 19 -1.124 1.093 -0.960
158 HB3 TYR 19 HB3 TYR 19 -1.674 -0.352 -0.155
159 HD1 TYR 19 HD1 TYR 19 0.475 2.670 0.718
160 HD2 TYR 19 HD2 TYR 19 -2.599 -0.097 1.947
161 HE1 TYR 19 HE1 TYR 19 0.381 3.741 2.942
162 HE2 TYR 19 HE2 TYR 19 -2.856 1.140 4.076
163 HH TYR 19 HH TYR 19 -2.324 3.371 5.050
164 H PHE 20 H PHE 20 -0.140 -2.541 0.434
165 HA PHE 20 HA PHE 20 -0.136 -3.986 -2.168
166 HB2 PHE 20 HB2 PHE 20 1.970 -4.199 -0.951
167 HB3 PHE 20 HB3 PHE 20 1.135 -4.739 0.497
168 HD1 PHE 20 HD1 PHE 20 2.230 -5.674 -2.901
169 HD2 PHE 20 HD2 PHE 20 0.140 -7.032 0.630
170 HE1 PHE 20 HE1 PHE 20 2.332 -8.011 -3.729
171 HE2 PHE 20 HE2 PHE 20 0.316 -9.374 -0.190
172 HZ PHE 20 HZ PHE 20 1.386 -9.862 -2.351
173 H ASN 21 H ASN 21 -1.876 -5.238 -2.433
174 HA ASN 21 HA ASN 21 -3.800 -5.477 -0.226
175 HB2 ASN 21 HB2 ASN 21 -4.437 -4.819 -2.602
176 HB3 ASN 21 HB3 ASN 21 -4.122 -6.491 -3.031
177 HD21 ASN 21 HD22 ASN 21 -6.587 -4.363 -1.970
178 HD22 ASN 21 HD21 ASN 21 -7.605 -5.613 -1.271
179 H HIS 22 H HIS 22 -3.196 -6.987 1.259
180 HA HIS 22 HA HIS 22 -1.762 -9.402 0.411
181 HB2 HIS 22 HB2 HIS 22 -1.684 -9.969 2.743
182 HB3 HIS 22 HB3 HIS 22 -1.234 -8.291 2.522
183 HD2 HIS 22 HD2 HIS 22 -2.601 -6.471 3.786
184 HE1 HIS 22 HE1 HIS 22 -5.587 -8.977 5.511
185 HE2 HIS 22 HE2 HIS 22 -4.604 -6.613 5.489
186 H ILE 23 H ILE 23 -4.988 -8.640 0.155
187 HA ILE 23 HA ILE 23 -5.905 -11.447 0.479
188 HB ILE 23 HB ILE 23 -7.259 -8.745 0.363
189 HG12 ILE 23 HG12 ILE 23 -7.249 -11.062 2.342
190 HG13 ILE 23 HG13 ILE 23 -6.423 -9.517 2.519
191 HG21 ILE 23 HG21 ILE 23 -8.707 -11.393 0.122
192 HG22 ILE 23 HG22 ILE 23 -9.437 -9.775 0.340
193 HG23 ILE 23 HG23 ILE 23 -8.574 -10.144 -1.144
194 HD11 ILE 23 HD11 ILE 23 -8.714 -8.395 2.507
195 HD12 ILE 23 HD12 ILE 23 -9.412 -10.026 2.636
196 HD13 ILE 23 HD13 ILE 23 -8.342 -9.420 3.908
197 H THR 24 H THR 24 -5.436 -8.932 -2.029
198 HA THR 24 HA THR 24 -6.158 -10.972 -4.108
199 HB THR 24 HB THR 24 -6.463 -9.200 -5.626
200 HG1 THR 24 HG1 THR 24 -6.172 -7.049 -4.996
201 HG21 THR 24 HG21 THR 24 -7.741 -8.255 -3.028
202 HG22 THR 24 HG22 THR 24 -8.303 -7.930 -4.682
203 HG23 THR 24 HG23 THR 24 -8.360 -9.581 -4.037
204 H ASN 25 H ASN 25 -3.430 -9.408 -2.875
205 HA ASN 25 HA ASN 25 -1.221 -9.613 -3.268
206 HB2 ASN 25 HB2 ASN 25 -2.028 -11.743 -4.616
207 HB3 ASN 25 HB3 ASN 25 -1.502 -10.817 -6.009
208 HD21 ASN 25 HD22 ASN 25 0.794 -9.636 -5.400
209 HD22 ASN 25 HD21 ASN 25 1.985 -10.857 -4.891
210 H ALA 26 H ALA 26 -3.341 -7.801 -4.901
211 HA ALA 26 HA ALA 26 -1.782 -6.454 -6.888
212 HB1 ALA 26 HB1 ALA 26 -3.983 -5.276 -5.144
213 HB2 ALA 26 HB2 ALA 26 -3.439 -4.656 -6.714
214 HB3 ALA 26 HB3 ALA 26 -4.240 -6.234 -6.625
215 H SER 27 H SER 27 -0.893 -4.217 -6.884
216 HA SER 27 HA SER 27 -0.022 -3.103 -4.283
217 HB2 SER 27 HB2 SER 27 2.168 -2.504 -5.330
218 HB3 SER 27 HB3 SER 27 1.963 -4.184 -4.870
219 HG SER 27 HG SER 27 1.439 -3.153 -7.483
220 H GLN 28 H GLN 28 -0.143 -0.883 -4.231
221 HA GLN 28 HA GLN 28 -0.227 0.708 -6.708
222 HB2 GLN 28 HB2 GLN 28 -2.567 0.104 -6.294
223 HB3 GLN 28 HB3 GLN 28 -2.476 0.696 -4.633
224 HG2 GLN 28 HG2 GLN 28 -2.291 2.973 -5.346
225 HG3 GLN 28 HG3 GLN 28 -1.967 2.518 -7.023
226 HE21 GLN 28 HE22 GLN 28 -4.384 4.313 -5.759
227 HE22 GLN 28 HE21 GLN 28 -5.656 3.406 -6.494
228 H PHE 29 H PHE 29 0.626 2.839 -6.311
229 HA PHE 29 HA PHE 29 2.107 3.037 -3.803
230 HB2 PHE 29 HB2 PHE 29 2.056 4.757 -6.269
231 HB3 PHE 29 HB3 PHE 29 2.992 5.128 -4.830
232 HD1 PHE 29 HD2 PHE 29 2.890 1.458 -5.673
233 HD2 PHE 29 HD1 PHE 29 4.980 5.225 -6.258
234 HE1 PHE 29 HE2 PHE 29 4.713 0.293 -6.743
235 HE2 PHE 29 HE1 PHE 29 6.875 3.978 -7.244
236 HZ PHE 29 HZ PHE 29 6.737 1.514 -7.519
237 H GLU 30 H GLU 30 -0.952 4.209 -4.840
238 HA GLU 30 HA GLU 30 -1.210 6.407 -2.970
239 HB2 GLU 30 HB2 GLU 30 -2.736 5.811 -4.974
240 HB3 GLU 30 HB3 GLU 30 -3.402 4.549 -3.930
241 HG2 GLU 30 HG2 GLU 30 -3.856 6.518 -2.245
242 HG3 GLU 30 HG3 GLU 30 -3.555 7.562 -3.624
243 H ARG 31 H ARG 31 -2.384 6.292 -0.976
244 HA ARG 31 HA ARG 31 -2.086 3.800 0.613
245 HB2 ARG 31 HB2 ARG 31 -2.997 6.566 1.372
246 HB3 ARG 31 HB3 ARG 31 -2.645 5.251 2.500
247 HG2 ARG 31 HG2 ARG 31 -0.417 5.655 2.502
248 HG3 ARG 31 HG3 ARG 31 -0.341 6.159 0.821
249 HD2 ARG 31 HD2 ARG 31 0.131 7.913 2.632
250 HD3 ARG 31 HD3 ARG 31 -0.973 8.369 1.342
251 HE ARG 31 HE ARG 31 -1.743 7.714 4.166
252 HH11 ARG 31 HH12 ARG 31 -2.754 9.254 1.104
253 HH12 ARG 31 HH11 ARG 31 -4.423 9.301 1.723
254 HH21 ARG 31 HH21 ARG 31 -4.098 7.783 4.554
255 HH22 ARG 31 HH22 ARG 31 -4.940 8.824 3.450
256 HA PRO 32 HA PRO 32 -6.588 3.238 -0.056
257 HB2 PRO 32 HB2 PRO 32 -5.558 0.881 1.567
258 HB3 PRO 32 HB3 PRO 32 -7.098 0.968 0.644
259 HG2 PRO 32 HG2 PRO 32 -5.255 0.181 -0.909
260 HG3 PRO 32 HG3 PRO 32 -5.876 1.667 -1.350
261 HD2 PRO 32 HD2 PRO 32 -3.369 1.460 0.269
262 HD3 PRO 32 HD3 PRO 32 -3.665 2.371 -1.242
263 H SER 33 H SER 33 -4.872 3.030 3.037
264 HA SER 33 HA SER 33 -7.134 3.739 4.690
265 HB2 SER 33 HB2 SER 33 -5.501 3.825 6.479
266 HB3 SER 33 HB3 SER 33 -5.188 2.392 5.477
267 HG SER 33 HG SER 33 -3.978 4.919 5.196
268 H GLY 34 H GLY 34 -7.745 5.532 3.216
269 HA2 GLY 34 HA2 GLY 34 -8.441 7.779 3.663
270 HA3 GLY 34 HA3 GLY 34 -6.853 8.160 4.325
271 H1 NAG 101 H1 NAG 35 11.460 2.294 -4.501
272 H2 NAG 101 H2 NAG 35 12.291 3.335 -7.264
273 H3 NAG 101 H3 NAG 35 9.509 2.531 -6.263
274 H4 NAG 101 H4 NAG 35 11.330 1.191 -8.334
275 H5 NAG 101 H5 NAG 35 10.426 0.321 -5.569
276 H61 NAG 101 H61 NAG 35 10.617 -1.697 -6.938
277 H62 NAG 101 H62 NAG 35 12.160 -1.133 -7.612
278 H81 NAG 101 H2M NAG 35 9.952 6.929 -5.380
279 H82 NAG 101 H3M NAG 35 10.725 7.778 -6.737
280 H83 NAG 101 H1M NAG 35 11.712 7.190 -5.381
281 HN2 NAG 101 H2N NAG 35 11.194 4.697 -4.943
282 HO3 NAG 101 H3O NAG 35 10.179 4.197 -8.200
283 HO4 NAG 101 H4O NAG 35 8.975 1.314 -8.489
284 HO6 NAG 101 H6O NAG 35 12.867 -1.026 -5.333