NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
9623 |
1ohm   |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 3H LYS 1 13.137 5.863 6.818
2 H2 LYS 1 2H LYS 1 12.741 5.040 5.457
3 H3 LYS 1 1H LYS 1 11.892 4.816 6.838
4 HA LYS 1 HA LYS 1 13.778 3.875 7.953
5 1HB LYS 1 1HB LYS 1 12.229 2.575 6.053
6 2HB LYS 1 2HB LYS 1 13.870 2.074 5.626
7 1HG LYS 1 1HG LYS 1 12.656 1.903 8.415
8 2HG LYS 1 2HG LYS 1 12.692 0.593 7.244
9 1HD LYS 1 1HD LYS 1 15.202 0.640 7.252
10 2HD LYS 1 2HD LYS 1 15.158 1.946 8.439
11 1HE LYS 1 1HE LYS 1 15.525 -0.064 9.646
12 2HE LYS 1 2HE LYS 1 13.903 0.493 10.009
13 1HZ LYS 1 3HZ LYS 1 14.496 -1.669 8.042
14 2HZ LYS 1 2HZ LYS 1 13.993 -1.903 9.570
15 3HZ LYS 1 1HZ LYS 1 13.013 -1.155 8.484
16 H TYR 2 H TYR 2 14.787 3.655 4.526
17 HA TYR 2 HA TYR 2 17.397 4.987 5.236
18 1HB TYR 2 1HB TYR 2 16.799 2.921 3.092
19 2HB TYR 2 2HB TYR 2 18.259 3.882 3.159
20 HD1 TYR 2 HD1 TYR 2 16.298 1.309 5.087
21 HD2 TYR 2 HD2 TYR 2 20.106 3.246 4.558
22 HE1 TYR 2 HE1 TYR 2 17.381 -0.431 6.507
23 HE2 TYR 2 HE2 TYR 2 21.192 1.506 5.970
24 HH TYR 2 HH TYR 2 20.873 -0.344 7.258
25 H TYR 3 H TYR 3 14.651 4.777 3.097
26 HA TYR 3 HA TYR 3 14.834 7.653 2.627
27 1HB TYR 3 1HB TYR 3 15.762 6.554 0.599
28 2HB TYR 3 2HB TYR 3 14.256 5.689 0.375
29 HD1 TYR 3 HD1 TYR 3 12.930 6.587 -1.319
30 HD2 TYR 3 HD2 TYR 3 15.319 9.283 1.053
31 HE1 TYR 3 HE1 TYR 3 12.076 8.518 -2.652
32 HE2 TYR 3 HE2 TYR 3 14.438 11.200 -0.240
33 HH TYR 3 HH TYR 3 12.070 10.745 -2.880
34 H GLY 4 H GLY 4 12.335 7.966 1.310
35 1HA GLY 4 2HA GLY 4 10.465 7.468 3.460
36 2HA GLY 4 1HA GLY 4 10.351 6.206 2.256
37 H ASN 5 H ASN 5 10.782 8.384 0.072
38 HA ASN 5 HA ASN 5 7.882 9.176 -0.040
39 1HB ASN 5 1HB ASN 5 9.225 11.126 0.738
40 2HB ASN 5 2HB ASN 5 10.181 11.044 -0.722
41 1HD2 ASN 5 1HD2 ASN 5 8.941 11.236 -2.820
42 2HD2 ASN 5 2HD2 ASN 5 7.550 12.329 -2.828
43 H GLY 6 H GLY 6 7.615 7.316 -1.283
44 1HA GLY 6 2HA GLY 6 8.783 7.176 -4.017
45 2HA GLY 6 1HA GLY 6 7.620 6.056 -3.295
46 H VAL 7 H VAL 7 8.481 4.165 -2.573
47 HA VAL 7 HA VAL 7 9.350 2.782 -1.252
48 HB VAL 7 HB VAL 7 10.468 2.823 -3.607
49 1HG1 VAL 7 2HG1 VAL 7 12.189 4.358 -2.888
50 2HG1 VAL 7 3HG1 VAL 7 12.836 3.142 -1.776
51 3HG1 VAL 7 1HG1 VAL 7 12.861 2.834 -3.562
52 1HG2 VAL 7 3HG2 VAL 7 9.967 0.865 -2.276
53 2HG2 VAL 7 1HG2 VAL 7 11.475 0.717 -3.157
54 3HG2 VAL 7 2HG2 VAL 7 11.543 1.058 -1.413
55 H HIS 8 H HIS 8 10.530 2.020 0.395
56 HA HIS 8 HA HIS 8 11.747 4.094 2.179
57 1HB HIS 8 1HB HIS 8 10.259 1.543 2.879
58 2HB HIS 8 2HB HIS 8 10.917 2.714 4.026
59 HD1 HIS 8 HD1 HIS 8 8.170 2.581 1.260
60 HD2 HIS 8 HD2 HIS 8 9.533 4.922 4.510
61 HE1 HIS 8 HE1 HIS 8 6.672 4.619 1.350
62 HE2 HIS 8 HE2 HIS 8 7.398 5.966 3.428
63 H CYS 9 H CYS 9 12.313 0.992 1.034
64 HA CYS 9 HA CYS 9 14.906 1.519 0.847
65 1HB CYS 9 1HB CYS 9 16.394 0.370 2.088
66 2HB CYS 9 2HB CYS 9 15.308 1.154 3.201
67 H GLY 10 H GLY 10 15.364 -1.748 1.211
68 1HA GLY 10 2HA GLY 10 16.392 -2.272 -1.166
69 2HA GLY 10 1HA GLY 10 14.660 -2.466 -1.567
70 H LYS 11 H LYS 11 16.624 -4.490 -1.712
71 HA LYS 11 HA LYS 11 15.456 -6.770 -0.619
72 1HB LYS 11 1HB LYS 11 17.085 -6.536 -2.530
73 2HB LYS 11 2HB LYS 11 18.388 -6.415 -1.351
74 1HG LYS 11 1HG LYS 11 17.805 -8.711 -0.519
75 2HG LYS 11 2HG LYS 11 16.522 -8.795 -1.730
76 1HD LYS 11 1HD LYS 11 19.485 -8.405 -2.370
77 2HD LYS 11 2HD LYS 11 18.662 -9.982 -2.302
78 1HE LYS 11 1HE LYS 11 17.082 -9.196 -4.065
79 2HE LYS 11 2HE LYS 11 17.996 -7.677 -4.175
80 1HZ LYS 11 2HZ LYS 11 19.935 -8.992 -4.855
81 2HZ LYS 11 1HZ LYS 11 19.079 -10.387 -4.803
82 3HZ LYS 11 3HZ LYS 11 18.704 -9.242 -5.887
83 H HIS 12 H HIS 12 17.561 -4.640 0.975
84 HA HIS 12 HA HIS 12 18.413 -5.835 3.391
85 1HB HIS 12 1HB HIS 12 17.467 -3.149 2.535
86 2HB HIS 12 2HB HIS 12 17.156 -3.512 4.208
87 HD1 HIS 12 HD1 HIS 12 19.133 -2.721 5.691
88 HD2 HIS 12 HD2 HIS 12 20.259 -4.008 1.827
89 HE1 HIS 12 HE1 HIS 12 21.681 -2.429 5.538
90 HE2 HIS 12 HE2 HIS 12 22.366 -3.195 3.183
91 H SER 13 H SER 13 15.123 -4.695 2.733
92 HA SER 13 HA SER 13 13.592 -6.659 3.933
93 1HB SER 13 1HB SER 13 12.945 -5.625 6.143
94 2HB SER 13 2HB SER 13 14.573 -6.307 6.114
95 HG SER 13 HG SER 13 14.654 -4.280 7.054
96 H CYS 14 H CYS 14 13.872 -3.111 3.846
97 HA CYS 14 HA CYS 14 11.138 -2.652 4.311
98 1HB CYS 14 1HB CYS 14 12.524 -0.380 3.125
99 2HB CYS 14 2HB CYS 14 11.680 -0.469 4.606
100 H THR 15 H THR 15 12.727 -1.379 1.414
101 HA THR 15 HA THR 15 11.930 -0.920 -0.694
102 HB THR 15 HB THR 15 10.394 -3.463 -0.472
103 HG1 THR 15 HG1 THR 15 12.558 -3.721 0.172
104 1HG2 THR 15 2HG2 THR 15 10.162 -2.154 -2.683
105 2HG2 THR 15 1HG2 THR 15 11.933 -2.164 -2.773
106 3HG2 THR 15 3HG2 THR 15 11.023 -3.687 -2.901
107 H VAL 16 H VAL 16 8.893 -2.158 -1.102
108 HA VAL 16 HA VAL 16 6.904 -1.166 -1.399
109 HB VAL 16 HB VAL 16 7.347 -0.924 1.561
110 1HG1 VAL 16 2HG1 VAL 16 4.789 -0.331 0.048
111 2HG1 VAL 16 3HG1 VAL 16 4.836 -0.896 1.741
112 3HG1 VAL 16 1HG1 VAL 16 5.579 0.624 1.332
113 1HG2 VAL 16 2HG2 VAL 16 7.305 -3.187 0.528
114 2HG2 VAL 16 3HG2 VAL 16 5.889 -2.924 1.554
115 3HG2 VAL 16 1HG2 VAL 16 5.735 -2.818 -0.211
116 H ASP 17 H ASP 17 7.208 0.438 -2.894
117 HA ASP 17 HA ASP 17 5.943 2.833 -1.646
118 1HB ASP 17 1HB ASP 17 6.262 4.072 -3.495
119 2HB ASP 17 2HB ASP 17 7.689 3.097 -3.579
120 H TRP 18 H TRP 18 5.297 -0.224 -2.560
121 HA TRP 18 HA TRP 18 2.626 0.258 -3.759
122 1HB TRP 18 1HB TRP 18 3.041 -1.898 -4.899
123 2HB TRP 18 2HB TRP 18 4.205 -0.643 -5.267
124 HD1 TRP 18 HD1 TRP 18 6.722 -1.105 -4.632
125 HE1 TRP 18 HE1 TRP 18 8.032 -3.150 -3.811
126 HE3 TRP 18 HE3 TRP 18 2.796 -4.179 -3.425
127 HZ2 TRP 18 HZ2 TRP 18 7.473 -5.695 -2.598
128 HZ3 TRP 18 HZ3 TRP 18 3.251 -6.415 -2.389
129 HH2 TRP 18 HH2 TRP 18 5.561 -7.147 -1.979
130 H GLY 19 H GLY 19 4.211 -1.886 -1.313
131 1HA GLY 19 2HA GLY 19 3.298 -3.539 0.091
132 2HA GLY 19 1HA GLY 19 1.983 -3.613 -0.998
133 H THR 20 H THR 20 2.609 -0.489 0.570
134 HA THR 20 HA THR 20 0.492 -0.656 2.577
135 HB THR 20 HB THR 20 0.602 1.894 2.333
136 HG1 THR 20 HG1 THR 20 2.446 2.632 1.217
137 1HG2 THR 20 3HG2 THR 20 1.851 0.674 4.090
138 2HG2 THR 20 2HG2 THR 20 3.231 0.492 2.962
139 3HG2 THR 20 1HG2 THR 20 2.716 2.102 3.525
140 H ALA 21 H ALA 21 0.615 0.753 -0.722
141 HA ALA 21 HA ALA 21 -2.100 1.430 -0.957
142 1HB ALA 21 3HB ALA 21 -1.691 1.327 -3.384
143 2HB ALA 21 2HB ALA 21 -0.127 0.536 -3.076
144 3HB ALA 21 1HB ALA 21 -0.384 2.186 -2.510
145 H ILE 22 H ILE 22 -0.632 -1.720 -2.078
146 HA ILE 22 HA ILE 22 -3.193 -2.879 -2.604
147 HB ILE 22 HB ILE 22 -2.064 -5.080 -2.519
148 1HG1 ILE 22 1HG1 ILE 22 0.588 -3.771 -2.546
149 2HG1 ILE 22 2HG1 ILE 22 -0.164 -4.216 -0.982
150 1HG2 ILE 22 2HG2 ILE 22 -2.389 -3.849 -4.603
151 2HG2 ILE 22 3HG2 ILE 22 -0.882 -2.932 -4.356
152 3HG2 ILE 22 1HG2 ILE 22 -0.825 -4.669 -4.656
153 1HD1 ILE 22 2HD1 ILE 22 -0.425 -6.563 -1.856
154 2HD1 ILE 22 3HD1 ILE 22 0.502 -6.081 -3.284
155 3HD1 ILE 22 1HD1 ILE 22 1.245 -6.045 -1.659
156 H GLY 23 H GLY 23 -1.462 -2.559 0.416
157 1HA GLY 23 2HA GLY 23 -2.045 -3.091 2.593
158 2HA GLY 23 1HA GLY 23 -2.959 -4.468 1.976
159 H CYS 24 H CYS 24 -3.239 -0.939 1.595
160 HA CYS 24 HA CYS 24 -5.694 -0.437 2.890
161 1HB CYS 24 1HB CYS 24 -4.909 0.854 0.263
162 2HB CYS 24 2HB CYS 24 -5.955 1.491 1.525
163 H ILE 25 H ILE 25 -5.382 -0.983 -0.540
164 HA ILE 25 HA ILE 25 -8.029 -1.502 -1.354
165 HB ILE 25 HB ILE 25 -5.458 -2.728 -2.400
166 1HG1 ILE 25 1HG1 ILE 25 -7.252 -0.800 -3.860
167 2HG1 ILE 25 2HG1 ILE 25 -6.228 -0.181 -2.595
168 1HG2 ILE 25 3HG2 ILE 25 -8.277 -2.961 -3.551
169 2HG2 ILE 25 1HG2 ILE 25 -6.780 -3.294 -4.452
170 3HG2 ILE 25 2HG2 ILE 25 -7.187 -4.298 -3.069
171 1HD1 ILE 25 2HD1 ILE 25 -4.243 -1.183 -3.782
172 2HD1 ILE 25 3HD1 ILE 25 -5.327 -1.653 -5.124
173 3HD1 ILE 25 1HD1 ILE 25 -5.071 0.059 -4.734
174 H GLY 26 H GLY 26 -5.758 -4.207 -0.519
175 1HA GLY 26 2HA GLY 26 -6.177 -6.384 0.032
176 2HA GLY 26 1HA GLY 26 -7.602 -6.233 -0.988
177 H ASN 27 H ASN 27 -6.815 -4.716 2.174
178 HA ASN 27 HA ASN 27 -8.533 -6.276 3.779
179 1HB ASN 27 1HB ASN 27 -6.627 -4.932 4.624
180 2HB ASN 27 2HB ASN 27 -7.466 -3.454 4.189
181 1HD2 ASN 27 1HD2 ASN 27 -7.515 -6.277 6.364
182 2HD2 ASN 27 2HD2 ASN 27 -8.569 -5.525 7.551
183 H ASN 28 H ASN 28 -9.106 -2.937 2.529
184 HA ASN 28 HA ASN 28 -11.785 -2.887 3.539
185 1HB ASN 28 1HB ASN 28 -10.343 -1.073 1.574
186 2HB ASN 28 2HB ASN 28 -11.946 -0.764 2.216
187 1HD2 ASN 28 1HD2 ASN 28 -8.539 -0.668 2.924
188 2HD2 ASN 28 2HD2 ASN 28 -8.717 0.008 4.546
189 H ALA 29 H ALA 29 -10.492 -3.831 0.413
190 HA ALA 29 HA ALA 29 -12.967 -4.102 -1.005
191 1HB ALA 29 1HB ALA 29 -11.776 -5.982 -2.197
192 2HB ALA 29 3HB ALA 29 -10.373 -5.726 -1.142
193 3HB ALA 29 2HB ALA 29 -10.888 -4.439 -2.251
194 H ALA 30 H ALA 30 -11.228 -6.857 0.511
195 HA ALA 30 HA ALA 30 -13.584 -8.401 0.313
196 1HB ALA 30 2HB ALA 30 -11.172 -8.772 2.151
197 2HB ALA 30 1HB ALA 30 -11.301 -9.378 0.508
198 3HB ALA 30 3HB ALA 30 -12.349 -10.044 1.806
199 H ALA 31 H ALA 31 -12.876 -6.084 2.800
200 HA ALA 31 HA ALA 31 -14.846 -6.944 4.716
201 1HB ALA 31 3HB ALA 31 -13.038 -5.336 5.199
202 2HB ALA 31 1HB ALA 31 -13.770 -4.152 4.112
203 3HB ALA 31 2HB ALA 31 -14.626 -4.638 5.569
204 H ASN 32 H ASN 32 -15.111 -5.005 1.703
205 HA ASN 32 HA ASN 32 -18.059 -4.695 2.229
206 1HB ASN 32 1HB ASN 32 -16.038 -3.173 0.596
207 2HB ASN 32 2HB ASN 32 -17.779 -2.894 0.426
208 1HD2 ASN 32 1HD2 ASN 32 -19.006 -2.412 2.601
209 2HD2 ASN 32 2HD2 ASN 32 -18.114 -1.367 3.683
210 H TRP 33 H TRP 33 -15.846 -5.934 -0.175
211 HA TRP 33 HA TRP 33 -17.697 -7.098 -2.059
212 1HB TRP 33 1HB TRP 33 -18.265 -4.655 -2.197
213 2HB TRP 33 2HB TRP 33 -16.542 -4.345 -2.460
214 HD1 TRP 33 HD1 TRP 33 -17.656 -2.955 -4.545
215 HE1 TRP 33 HE1 TRP 33 -18.103 -3.647 -6.974
216 HE3 TRP 33 HE3 TRP 33 -17.077 -7.969 -4.079
217 HZ2 TRP 33 HZ2 TRP 33 -18.392 -6.056 -8.470
218 HZ3 TRP 33 HZ3 TRP 33 -17.430 -9.475 -6.038
219 HH2 TRP 33 HH2 TRP 33 -18.114 -8.520 -8.236
220 H ALA 34 H ALA 34 -15.668 -5.631 -3.963
221 HA ALA 34 HA ALA 34 -13.153 -7.201 -3.686
222 1HB ALA 34 2HB ALA 34 -14.594 -8.104 -5.437
223 2HB ALA 34 1HB ALA 34 -13.206 -7.317 -6.157
224 3HB ALA 34 3HB ALA 34 -14.793 -6.481 -6.141
225 H THR 35 H THR 35 -14.622 -4.101 -3.985
226 HA THR 35 HA THR 35 -12.170 -2.833 -3.210
227 HB THR 35 HB THR 35 -12.314 -0.980 -4.968
228 HG1 THR 35 HG1 THR 35 -13.423 -3.108 -6.460
229 1HG2 THR 35 3HG2 THR 35 -10.494 -2.764 -4.649
230 2HG2 THR 35 2HG2 THR 35 -11.100 -3.429 -6.194
231 3HG2 THR 35 1HG2 THR 35 -10.536 -1.764 -6.112
232 H GLY 36 H GLY 36 -14.375 -3.041 -1.569
233 1HA GLY 36 2HA GLY 36 -14.309 -0.263 -0.948
234 2HA GLY 36 1HA GLY 36 -14.993 -1.522 0.021
235 H GLY 37 H GLY 37 -16.700 -2.019 -2.705
236 1HA GLY 37 2HA GLY 37 -19.006 -0.354 -2.133
237 2HA GLY 37 1HA GLY 37 -18.808 -1.371 -3.541
238 H ASN 38 H ASN 38 -16.559 1.199 -2.648
239 HA ASN 38 HA ASN 38 -17.083 2.722 -5.120
240 1HB ASN 38 1HB ASN 38 -17.794 4.721 -4.059
241 2HB ASN 38 2HB ASN 38 -18.803 3.447 -3.381
242 1HD2 ASN 38 1HD2 ASN 38 -17.231 2.489 -1.185
243 2HD2 ASN 38 2HD2 ASN 38 -17.015 3.856 -0.116
244 H ALA 39 H ALA 39 -14.657 1.451 -3.476
245 HA ALA 39 HA ALA 39 -12.611 1.908 -2.709
246 1HB ALA 39 3HB ALA 39 -12.367 2.001 -5.192
247 2HB ALA 39 1HB ALA 39 -12.416 3.792 -5.081
248 3HB ALA 39 2HB ALA 39 -11.124 2.854 -4.298
249 H GLY 40 H GLY 40 -14.670 3.713 -1.638
250 1HA GLY 40 2HA GLY 40 -14.924 5.518 -0.220
251 2HA GLY 40 1HA GLY 40 -13.467 6.240 -0.924
252 H TRP 41 H TRP 41 -12.296 3.323 0.123
253 HA TRP 41 HA TRP 41 -12.223 3.461 2.949
254 1HB TRP 41 1HB TRP 41 -10.369 1.934 2.819
255 2HB TRP 41 2HB TRP 41 -11.637 1.465 1.720
256 HD1 TRP 41 HD1 TRP 41 -8.069 2.897 1.675
257 HE1 TRP 41 HE1 TRP 41 -6.966 2.188 -0.575
258 HE3 TRP 41 HE3 TRP 41 -11.936 0.366 -0.445
259 HZ2 TRP 41 HZ2 TRP 41 -7.857 1.307 -3.122
260 HZ3 TRP 41 HZ3 TRP 41 -11.727 -0.582 -2.619
261 HH2 TRP 41 HH2 TRP 41 -9.760 -0.082 -4.098
262 H ASN 42 H ASN 42 -9.916 4.692 0.598
263 HA ASN 42 HA ASN 42 -10.184 7.296 1.609
264 1HB ASN 42 1HB ASN 42 -7.934 7.914 2.352
265 2HB ASN 42 2HB ASN 42 -8.570 6.675 3.420
266 1HD2 ASN 42 1HD2 ASN 42 -7.653 4.491 3.267
267 2HD2 ASN 42 2HD2 ASN 42 -6.086 4.274 2.447
268 H LYS 43 H LYS 43 -9.984 5.804 -1.127
269 HA LYS 43 HA LYS 43 -7.999 4.515 -0.722
270 1HB LYS 43 1HB LYS 43 -7.673 3.779 -3.027
271 2HB LYS 43 2HB LYS 43 -9.347 4.141 -2.723
272 1HG LYS 43 1HG LYS 43 -8.972 6.423 -3.809
273 2HG LYS 43 2HG LYS 43 -7.328 5.900 -4.182
274 1HD LYS 43 1HD LYS 43 -8.285 3.892 -5.383
275 2HD LYS 43 2HD LYS 43 -9.897 4.545 -5.129
276 1HE LYS 43 1HE LYS 43 -7.631 5.941 -6.643
277 2HE LYS 43 2HE LYS 43 -8.880 5.011 -7.407
278 1HZ LYS 43 1HZ LYS 43 -9.352 7.472 -5.802
279 2HZ LYS 43 3HZ LYS 43 -9.401 7.377 -7.425
280 3HZ LYS 43 2HZ LYS 43 -10.517 6.597 -6.555
281 H CYS 44 H CYS 44 -6.032 4.006 -0.847
282 HA CYS 44 HA CYS 44 -3.941 5.942 -0.613
283 1HB CYS 44 1HB CYS 44 -3.883 2.910 -0.878
284 2HB CYS 44 2HB CYS 44 -2.493 3.891 -0.415
No H/Q in entry = 284
Start of MODEL 2
1 H1 LYS 1 1H LYS 1 18.388 -1.011 6.164
2 H2 LYS 1 3H LYS 1 17.980 -1.501 4.651
3 H3 LYS 1 2H LYS 1 18.540 0.019 4.911
4 HA LYS 1 HA LYS 1 16.644 0.568 6.238
5 1HB LYS 1 1HB LYS 1 15.899 -0.446 3.450
6 2HB LYS 1 2HB LYS 1 14.870 0.584 4.442
7 1HG LYS 1 1HG LYS 1 17.696 1.369 3.612
8 2HG LYS 1 2HG LYS 1 16.275 1.723 2.646
9 1HD LYS 1 1HD LYS 1 15.289 3.096 4.330
10 2HD LYS 1 2HD LYS 1 16.480 2.619 5.548
11 1HE LYS 1 1HE LYS 1 16.962 4.853 4.805
12 2HE LYS 1 2HE LYS 1 18.275 3.784 4.380
13 1HZ LYS 1 2HZ LYS 1 16.162 4.719 2.512
14 2HZ LYS 1 1HZ LYS 1 17.683 5.263 2.538
15 3HZ LYS 1 3HZ LYS 1 17.398 3.723 2.093
16 H TYR 2 H TYR 2 14.557 -1.708 4.690
17 HA TYR 2 HA TYR 2 14.487 -3.526 7.061
18 1HB TYR 2 1HB TYR 2 12.027 -3.350 7.084
19 2HB TYR 2 2HB TYR 2 12.858 -1.878 7.532
20 HD1 TYR 2 HD1 TYR 2 12.900 0.123 6.030
21 HD2 TYR 2 HD2 TYR 2 10.612 -3.416 5.120
22 HE1 TYR 2 HE1 TYR 2 11.619 1.405 4.316
23 HE2 TYR 2 HE2 TYR 2 9.259 -2.111 3.470
24 HH TYR 2 HH TYR 2 8.937 -0.062 2.473
25 H TYR 3 H TYR 3 15.368 -3.695 4.130
26 HA TYR 3 HA TYR 3 13.602 -5.251 2.583
27 1HB TYR 3 1HB TYR 3 15.235 -4.101 1.465
28 2HB TYR 3 2HB TYR 3 16.525 -4.671 2.482
29 HD1 TYR 3 HD1 TYR 3 18.049 -5.981 1.317
30 HD2 TYR 3 HD2 TYR 3 13.878 -6.377 0.393
31 HE1 TYR 3 HE1 TYR 3 18.577 -7.831 -0.266
32 HE2 TYR 3 HE2 TYR 3 14.376 -8.231 -1.182
33 HH TYR 3 HH TYR 3 16.036 -9.494 -2.148
34 H GLY 4 H GLY 4 12.763 -7.062 3.082
35 1HA GLY 4 2HA GLY 4 13.591 -9.538 3.992
36 2HA GLY 4 1HA GLY 4 14.563 -9.279 2.513
37 H ASN 5 H ASN 5 12.004 -7.712 1.587
38 HA ASN 5 HA ASN 5 10.871 -9.970 0.071
39 1HB ASN 5 1HB ASN 5 9.503 -9.945 2.098
40 2HB ASN 5 2HB ASN 5 9.156 -8.228 1.908
41 1HD2 ASN 5 1HD2 ASN 5 7.247 -7.785 0.807
42 2HD2 ASN 5 2HD2 ASN 5 6.555 -8.842 -0.404
43 H GLY 6 H GLY 6 11.968 -8.891 -1.564
44 1HA GLY 6 2HA GLY 6 10.636 -7.435 -3.481
45 2HA GLY 6 1HA GLY 6 12.342 -7.706 -3.446
46 H VAL 7 H VAL 7 10.764 -5.698 -1.036
47 HA VAL 7 HA VAL 7 11.082 -3.116 -1.950
48 HB VAL 7 HB VAL 7 9.941 -4.312 0.116
49 1HG1 VAL 7 2HG1 VAL 7 12.081 -4.877 1.177
50 2HG1 VAL 7 3HG1 VAL 7 12.395 -3.117 1.396
51 3HG1 VAL 7 1HG1 VAL 7 11.000 -3.894 2.202
52 1HG2 VAL 7 2HG2 VAL 7 10.995 -1.487 0.131
53 2HG2 VAL 7 3HG2 VAL 7 9.505 -2.164 -0.630
54 3HG2 VAL 7 1HG2 VAL 7 9.658 -2.142 1.144
55 H HIS 8 H HIS 8 12.646 -1.580 -1.974
56 HA HIS 8 HA HIS 8 14.966 -2.007 -0.130
57 1HB HIS 8 1HB HIS 8 15.280 -0.545 -2.762
58 2HB HIS 8 2HB HIS 8 16.543 -0.896 -1.584
59 HD1 HIS 8 HD1 HIS 8 14.524 -2.492 -4.299
60 HD2 HIS 8 HD2 HIS 8 17.090 -3.604 -1.185
61 HE1 HIS 8 HE1 HIS 8 14.752 -5.046 -4.429
62 HE2 HIS 8 HE2 HIS 8 16.491 -5.698 -2.599
63 H CYS 9 H CYS 9 12.352 -0.408 -0.423
64 HA CYS 9 HA CYS 9 11.682 0.581 1.326
65 1HB CYS 9 1HB CYS 9 12.595 2.597 2.470
66 2HB CYS 9 2HB CYS 9 13.845 1.459 2.178
67 H GLY 10 H GLY 10 9.452 3.145 0.148
68 1HA GLY 10 2HA GLY 10 11.515 4.247 1.797
69 2HA GLY 10 1HA GLY 10 10.332 3.279 2.727
70 H LYS 11 H LYS 11 10.751 6.028 2.989
71 HA LYS 11 HA LYS 11 8.168 7.306 2.684
72 1HB LYS 11 1HB LYS 11 10.921 8.559 3.082
73 2HB LYS 11 2HB LYS 11 9.385 9.326 3.428
74 1HG LYS 11 1HG LYS 11 10.557 6.958 4.916
75 2HG LYS 11 2HG LYS 11 10.495 8.626 5.473
76 1HD LYS 11 1HD LYS 11 8.051 6.818 4.985
77 2HD LYS 11 2HD LYS 11 8.774 7.242 6.542
78 1HE LYS 11 1HE LYS 11 8.344 9.622 6.165
79 2HE LYS 11 2HE LYS 11 7.616 9.260 4.613
80 1HZ LYS 11 1HZ LYS 11 6.616 8.300 7.233
81 2HZ LYS 11 3HZ LYS 11 5.919 9.488 6.378
82 3HZ LYS 11 2HZ LYS 11 5.905 7.971 5.796
83 H HIS 12 H HIS 12 10.233 6.662 0.273
84 HA HIS 12 HA HIS 12 8.928 8.694 -1.508
85 1HB HIS 12 1HB HIS 12 11.824 7.896 -1.664
86 2HB HIS 12 2HB HIS 12 10.955 9.185 -2.522
87 HD1 HIS 12 HD1 HIS 12 10.201 11.350 -1.036
88 HD2 HIS 12 HD2 HIS 12 12.905 8.608 0.648
89 HE1 HIS 12 HE1 HIS 12 11.337 12.569 0.928
90 HE2 HIS 12 HE2 HIS 12 12.978 10.878 1.963
91 H SER 13 H SER 13 8.832 5.586 -1.017
92 HA SER 13 HA SER 13 8.686 3.600 -2.144
93 1HB SER 13 1HB SER 13 7.817 5.314 -4.490
94 2HB SER 13 2HB SER 13 7.638 3.570 -4.350
95 HG SER 13 HG SER 13 6.482 5.548 -2.673
96 H CYS 14 H CYS 14 10.934 3.477 -1.798
97 HA CYS 14 HA CYS 14 12.911 3.937 -3.853
98 1HB CYS 14 1HB CYS 14 13.336 2.119 -1.508
99 2HB CYS 14 2HB CYS 14 14.478 3.201 -2.274
100 H THR 15 H THR 15 11.565 1.002 -2.409
101 HA THR 15 HA THR 15 10.928 0.301 -5.185
102 HB THR 15 HB THR 15 11.989 -2.128 -3.781
103 HG1 THR 15 HG1 THR 15 13.484 -0.137 -5.038
104 1HG2 THR 15 2HG2 THR 15 11.915 -1.267 -6.711
105 2HG2 THR 15 1HG2 THR 15 12.596 -2.793 -6.107
106 3HG2 THR 15 3HG2 THR 15 10.874 -2.489 -5.955
107 H VAL 16 H VAL 16 9.260 -1.341 -5.503
108 HA VAL 16 HA VAL 16 7.621 -1.861 -3.062
109 HB VAL 16 HB VAL 16 6.705 -0.785 -5.760
110 1HG1 VAL 16 2HG1 VAL 16 5.095 -1.621 -3.295
111 2HG1 VAL 16 3HG1 VAL 16 4.439 -0.659 -4.634
112 3HG1 VAL 16 1HG1 VAL 16 4.978 -2.299 -4.934
113 1HG2 VAL 16 3HG2 VAL 16 6.794 0.434 -2.988
114 2HG2 VAL 16 1HG2 VAL 16 7.639 0.995 -4.456
115 3HG2 VAL 16 2HG2 VAL 16 5.892 1.132 -4.360
116 H ASP 17 H ASP 17 8.125 -4.016 -2.865
117 HA ASP 17 HA ASP 17 6.998 -5.932 -4.845
118 1HB ASP 17 1HB ASP 17 8.708 -6.689 -3.080
119 2HB ASP 17 2HB ASP 17 7.516 -6.332 -1.852
120 H TRP 18 H TRP 18 6.000 -4.073 -2.047
121 HA TRP 18 HA TRP 18 3.435 -5.194 -1.504
122 1HB TRP 18 1HB TRP 18 3.294 -3.200 0.022
123 2HB TRP 18 2HB TRP 18 4.668 -4.235 0.244
124 HD1 TRP 18 HD1 TRP 18 7.112 -3.332 -0.458
125 HE1 TRP 18 HE1 TRP 18 8.040 -0.936 -0.507
126 HE3 TRP 18 HE3 TRP 18 2.705 -0.712 -0.486
127 HZ2 TRP 18 HZ2 TRP 18 7.065 1.719 -0.365
128 HZ3 TRP 18 HZ3 TRP 18 2.754 1.795 -0.319
129 HH2 TRP 18 HH2 TRP 18 4.906 3.014 -0.315
130 H GLY 19 H GLY 19 3.681 -4.197 -4.358
131 1HA GLY 19 2HA GLY 19 2.477 -2.970 -5.909
132 2HA GLY 19 1HA GLY 19 2.149 -1.802 -4.638
133 H THR 20 H THR 20 1.208 -5.188 -4.319
134 HA THR 20 HA THR 20 -1.545 -4.873 -5.094
135 HB THR 20 HB THR 20 -0.412 -6.820 -3.044
136 HG1 THR 20 HG1 THR 20 -0.285 -8.191 -4.827
137 1HG2 THR 20 2HG2 THR 20 -2.896 -6.992 -4.781
138 2HG2 THR 20 1HG2 THR 20 -2.252 -8.291 -3.745
139 3HG2 THR 20 3HG2 THR 20 -2.874 -6.810 -3.009
140 H ALA 21 H ALA 21 0.166 -4.175 -2.054
141 HA ALA 21 HA ALA 21 -2.198 -3.703 -0.467
142 1HB ALA 21 3HB ALA 21 0.605 -2.532 -0.112
143 2HB ALA 21 1HB ALA 21 -0.694 -2.650 1.111
144 3HB ALA 21 2HB ALA 21 0.090 -4.113 0.482
145 H ILE 22 H ILE 22 0.010 -1.471 -2.220
146 HA ILE 22 HA ILE 22 -1.807 0.768 -1.837
147 HB ILE 22 HB ILE 22 -0.496 1.887 -3.752
148 1HG1 ILE 22 1HG1 ILE 22 1.508 -0.284 -3.119
149 2HG1 ILE 22 2HG1 ILE 22 0.547 -0.177 -4.621
150 1HG2 ILE 22 2HG2 ILE 22 0.732 1.081 -1.075
151 2HG2 ILE 22 3HG2 ILE 22 1.261 2.462 -2.048
152 3HG2 ILE 22 1HG2 ILE 22 -0.359 2.462 -1.361
153 1HD1 ILE 22 3HD1 ILE 22 1.529 2.113 -5.011
154 2HD1 ILE 22 1HD1 ILE 22 2.651 1.808 -3.670
155 3HD1 ILE 22 2HD1 ILE 22 2.674 0.776 -5.105
156 H GLY 23 H GLY 23 -1.815 -1.722 -4.282
157 1HA GLY 23 2HA GLY 23 -3.521 -2.386 -5.631
158 2HA GLY 23 1HA GLY 23 -3.815 -0.682 -6.045
159 H CYS 24 H CYS 24 -4.188 -2.798 -3.175
160 HA CYS 24 HA CYS 24 -6.977 -2.640 -2.837
161 1HB CYS 24 1HB CYS 24 -4.751 -3.020 -0.812
162 2HB CYS 24 2HB CYS 24 -6.466 -3.222 -0.449
163 H ILE 25 H ILE 25 -4.923 -0.884 -0.447
164 HA ILE 25 HA ILE 25 -6.404 1.120 0.412
165 HB ILE 25 HB ILE 25 -3.464 1.136 -0.381
166 1HG1 ILE 25 1HG1 ILE 25 -3.185 1.335 2.117
167 2HG1 ILE 25 2HG1 ILE 25 -4.918 1.118 2.302
168 1HG2 ILE 25 2HG2 ILE 25 -4.963 3.387 0.993
169 2HG2 ILE 25 3HG2 ILE 25 -3.188 3.217 0.945
170 3HG2 ILE 25 1HG2 ILE 25 -4.060 3.460 -0.558
171 1HD1 ILE 25 3HD1 ILE 25 -4.618 -1.200 1.338
172 2HD1 ILE 25 1HD1 ILE 25 -2.858 -0.900 1.361
173 3HD1 ILE 25 2HD1 ILE 25 -3.763 -0.898 2.862
174 H GLY 26 H GLY 26 -4.787 1.538 -2.823
175 1HA GLY 26 2HA GLY 26 -4.970 3.260 -4.327
176 2HA GLY 26 1HA GLY 26 -5.740 4.222 -3.057
177 H ASN 27 H ASN 27 -6.552 1.442 -5.186
178 HA ASN 27 HA ASN 27 -8.565 2.869 -6.654
179 1HB ASN 27 1HB ASN 27 -7.911 -0.104 -6.420
180 2HB ASN 27 2HB ASN 27 -9.066 0.569 -7.563
181 1HD2 ASN 27 1HD2 ASN 27 -8.182 2.153 -9.203
182 2HD2 ASN 27 2HD2 ASN 27 -6.502 1.952 -9.675
183 H ASN 28 H ASN 28 -8.750 0.602 -3.906
184 HA ASN 28 HA ASN 28 -11.666 0.781 -3.799
185 1HB ASN 28 1HB ASN 28 -10.094 -1.186 -3.266
186 2HB ASN 28 2HB ASN 28 -9.938 -0.420 -1.692
187 1HD2 ASN 28 2HD2 ASN 28 -12.581 0.417 -1.138
188 2HD2 ASN 28 1HD2 ASN 28 -13.640 -0.978 -1.182
189 H ALA 29 H ALA 29 -9.040 2.735 -2.318
190 HA ALA 29 HA ALA 29 -10.754 4.120 -0.429
191 1HB ALA 29 3HB ALA 29 -8.497 4.919 -0.446
192 2HB ALA 29 1HB ALA 29 -8.533 5.274 -2.178
193 3HB ALA 29 2HB ALA 29 -9.574 6.173 -1.056
194 H ALA 30 H ALA 30 -10.175 4.813 -3.975
195 HA ALA 30 HA ALA 30 -12.230 6.758 -3.878
196 1HB ALA 30 3HB ALA 30 -12.073 6.699 -6.397
197 2HB ALA 30 1HB ALA 30 -10.476 6.696 -5.622
198 3HB ALA 30 2HB ALA 30 -11.144 5.180 -6.272
199 H ALA 31 H ALA 31 -12.588 3.292 -4.281
200 HA ALA 31 HA ALA 31 -15.396 3.364 -4.955
201 1HB ALA 31 3HB ALA 31 -13.854 1.391 -5.326
202 2HB ALA 31 2HB ALA 31 -15.380 1.031 -4.482
203 3HB ALA 31 1HB ALA 31 -13.866 1.121 -3.567
204 H ASN 32 H ASN 32 -13.769 3.697 -1.821
205 HA ASN 32 HA ASN 32 -16.430 3.525 -0.460
206 1HB ASN 32 1HB ASN 32 -15.475 2.668 1.466
207 2HB ASN 32 2HB ASN 32 -14.993 1.662 0.093
208 1HD2 ASN 32 1HD2 ASN 32 -13.350 0.797 1.559
209 2HD2 ASN 32 2HD2 ASN 32 -11.902 1.747 1.824
210 H TRP 33 H TRP 33 -13.856 5.695 -0.955
211 HA TRP 33 HA TRP 33 -14.890 7.991 0.412
212 1HB TRP 33 1HB TRP 33 -14.428 6.455 2.373
213 2HB TRP 33 2HB TRP 33 -12.767 6.362 1.804
214 HD1 TRP 33 HD1 TRP 33 -12.547 7.077 4.482
215 HE1 TRP 33 HE1 TRP 33 -12.426 9.369 5.635
216 HE3 TRP 33 HE3 TRP 33 -13.877 10.012 0.560
217 HZ2 TRP 33 HZ2 TRP 33 -13.060 12.094 5.004
218 HZ3 TRP 33 HZ3 TRP 33 -14.204 12.448 0.845
219 HH2 TRP 33 HH2 TRP 33 -13.816 13.513 3.072
220 H ALA 34 H ALA 34 -12.084 8.443 1.340
221 HA ALA 34 HA ALA 34 -10.346 8.810 -1.036
222 1HB ALA 34 3HB ALA 34 -10.675 10.389 1.541
223 2HB ALA 34 1HB ALA 34 -9.482 10.756 0.274
224 3HB ALA 34 2HB ALA 34 -11.212 10.909 -0.078
225 H THR 35 H THR 35 -10.945 6.773 1.270
226 HA THR 35 HA THR 35 -9.376 4.893 1.596
227 HB THR 35 HB THR 35 -7.706 5.227 3.492
228 HG1 THR 35 HG1 THR 35 -7.682 7.818 2.463
229 1HG2 THR 35 1HG2 THR 35 -6.943 4.574 1.257
230 2HG2 THR 35 3HG2 THR 35 -6.899 6.267 0.755
231 3HG2 THR 35 2HG2 THR 35 -5.818 5.687 2.049
232 H GLY 36 H GLY 36 -11.571 4.326 2.335
233 1HA GLY 36 2HA GLY 36 -10.838 3.705 5.187
234 2HA GLY 36 1HA GLY 36 -11.466 2.569 4.011
235 H GLY 37 H GLY 37 -13.591 4.566 3.163
236 1HA GLY 37 2HA GLY 37 -15.870 4.703 3.563
237 2HA GLY 37 1HA GLY 37 -15.521 4.758 5.291
238 H ASN 38 H ASN 38 -14.289 1.985 3.658
239 HA ASN 38 HA ASN 38 -15.949 0.295 5.350
240 1HB ASN 38 1HB ASN 38 -17.314 0.641 3.193
241 2HB ASN 38 2HB ASN 38 -16.043 -0.169 2.307
242 1HD2 ASN 38 1HD2 ASN 38 -18.303 -0.703 5.112
243 2HD2 ASN 38 2HD2 ASN 38 -18.424 -2.427 4.767
244 H ALA 39 H ALA 39 -15.188 -1.906 5.535
245 HA ALA 39 HA ALA 39 -12.303 -2.201 5.077
246 1HB ALA 39 1HB ALA 39 -13.375 -2.866 7.262
247 2HB ALA 39 3HB ALA 39 -12.570 -4.211 6.491
248 3HB ALA 39 2HB ALA 39 -14.346 -4.044 6.380
249 H GLY 40 H GLY 40 -14.585 -2.478 2.950
250 1HA GLY 40 2HA GLY 40 -14.818 -3.369 0.895
251 2HA GLY 40 1HA GLY 40 -14.548 -4.941 1.650
252 H TRP 41 H TRP 41 -11.864 -2.692 1.759
253 HA TRP 41 HA TRP 41 -10.402 -4.732 0.122
254 1HB TRP 41 1HB TRP 41 -8.791 -3.349 -0.468
255 2HB TRP 41 2HB TRP 41 -10.094 -2.173 -0.406
256 HD1 TRP 41 HD1 TRP 41 -7.368 -3.548 1.992
257 HE1 TRP 41 HE1 TRP 41 -6.471 -1.554 3.391
258 HE3 TRP 41 HE3 TRP 41 -10.483 -0.031 0.384
259 HZ2 TRP 41 HZ2 TRP 41 -6.835 1.330 3.454
260 HZ3 TRP 41 HZ3 TRP 41 -10.194 2.407 0.958
261 HH2 TRP 41 HH2 TRP 41 -8.381 3.059 2.574
262 H ASN 42 H ASN 42 -10.179 -2.787 2.931
263 HA ASN 42 HA ASN 42 -8.029 -3.704 4.208
264 1HB ASN 42 1HB ASN 42 -10.497 -2.791 5.748
265 2HB ASN 42 2HB ASN 42 -8.935 -3.008 6.454
266 1HD2 ASN 42 1HD2 ASN 42 -10.709 -0.775 4.165
267 2HD2 ASN 42 2HD2 ASN 42 -9.208 0.094 3.889
268 H LYS 43 H LYS 43 -10.378 -5.901 3.847
269 HA LYS 43 HA LYS 43 -9.158 -8.060 5.372
270 1HB LYS 43 1HB LYS 43 -9.181 -9.341 3.264
271 2HB LYS 43 2HB LYS 43 -10.753 -8.973 4.012
272 1HG LYS 43 1HG LYS 43 -9.569 -7.657 1.519
273 2HG LYS 43 2HG LYS 43 -10.588 -9.052 1.516
274 1HD LYS 43 1HD LYS 43 -11.399 -6.262 2.394
275 2HD LYS 43 2HD LYS 43 -11.856 -7.061 0.933
276 1HE LYS 43 1HE LYS 43 -12.651 -7.987 3.734
277 2HE LYS 43 2HE LYS 43 -13.662 -7.026 2.644
278 1HZ LYS 43 2HZ LYS 43 -12.661 -9.760 2.071
279 2HZ LYS 43 1HZ LYS 43 -14.185 -9.399 2.523
280 3HZ LYS 43 3HZ LYS 43 -13.615 -8.889 1.083
281 H CYS 44 H CYS 44 -7.999 -6.771 2.341
282 HA CYS 44 HA CYS 44 -5.693 -8.198 1.861
283 1HB CYS 44 1HB CYS 44 -6.983 -6.829 0.277
284 2HB CYS 44 2HB CYS 44 -6.526 -5.374 1.148
No H/Q in entry = 284
Start of MODEL 3
1 H1 LYS 1 2H LYS 1 -18.571 0.979 -2.501
2 H2 LYS 1 1H LYS 1 -19.928 0.096 -2.687
3 H3 LYS 1 3H LYS 1 -19.642 0.880 -1.257
4 HA LYS 1 HA LYS 1 -17.733 -0.491 -0.837
5 1HB LYS 1 1HB LYS 1 -20.066 -1.118 -0.020
6 2HB LYS 1 2HB LYS 1 -20.160 -2.262 -1.366
7 1HG LYS 1 1HG LYS 1 -18.139 -3.427 -0.460
8 2HG LYS 1 2HG LYS 1 -18.106 -2.267 0.885
9 1HD LYS 1 1HD LYS 1 -20.339 -3.067 1.591
10 2HD LYS 1 2HD LYS 1 -20.406 -4.176 0.207
11 1HE LYS 1 1HE LYS 1 -18.258 -5.226 1.062
12 2HE LYS 1 2HE LYS 1 -18.460 -4.287 2.544
13 1HZ LYS 1 2HZ LYS 1 -20.642 -5.364 2.778
14 2HZ LYS 1 1HZ LYS 1 -20.330 -6.309 1.469
15 3HZ LYS 1 3HZ LYS 1 -19.431 -6.479 2.796
16 H TYR 2 H TYR 2 -16.458 -2.388 -1.427
17 HA TYR 2 HA TYR 2 -15.343 -3.812 -2.700
18 1HB TYR 2 1HB TYR 2 -17.533 -3.865 -4.773
19 2HB TYR 2 2HB TYR 2 -16.315 -5.074 -4.435
20 HD1 TYR 2 HD1 TYR 2 -19.667 -4.083 -3.818
21 HD2 TYR 2 HD2 TYR 2 -16.313 -6.101 -2.022
22 HE1 TYR 2 HE1 TYR 2 -21.241 -5.311 -2.347
23 HE2 TYR 2 HE2 TYR 2 -17.885 -7.350 -0.524
24 HH TYR 2 HH TYR 2 -21.401 -7.012 -0.734
25 H TYR 3 H TYR 3 -15.163 -0.850 -3.144
26 HA TYR 3 HA TYR 3 -14.319 -0.191 -5.752
27 1HB TYR 3 1HB TYR 3 -14.717 1.530 -4.218
28 2HB TYR 3 2HB TYR 3 -13.751 0.790 -2.954
29 HD1 TYR 3 HD1 TYR 3 -11.424 1.235 -2.734
30 HD2 TYR 3 HD2 TYR 3 -13.591 2.724 -6.138
31 HE1 TYR 3 HE1 TYR 3 -9.454 2.637 -3.370
32 HE2 TYR 3 HE2 TYR 3 -11.669 4.130 -6.763
33 HH TYR 3 HH TYR 3 -9.504 4.817 -6.197
34 H GLY 4 H GLY 4 -12.334 -1.342 -3.022
35 1HA GLY 4 2HA GLY 4 -11.006 -3.323 -4.449
36 2HA GLY 4 1HA GLY 4 -10.498 -2.690 -2.885
37 H ASN 5 H ASN 5 -10.125 -0.077 -4.621
38 HA ASN 5 HA ASN 5 -7.480 -0.760 -5.886
39 1HB ASN 5 1HB ASN 5 -9.599 1.284 -6.524
40 2HB ASN 5 2HB ASN 5 -7.902 1.567 -6.976
41 1HD2 ASN 5 1HD2 ASN 5 -10.600 -0.829 -7.402
42 2HD2 ASN 5 2HD2 ASN 5 -9.957 -1.374 -8.949
43 H GLY 6 H GLY 6 -8.181 -0.106 -2.960
44 1HA GLY 6 2HA GLY 6 -6.394 2.226 -2.387
45 2HA GLY 6 1HA GLY 6 -5.899 0.625 -1.844
46 H VAL 7 H VAL 7 -9.323 1.249 -1.771
47 HA VAL 7 HA VAL 7 -9.356 1.400 1.175
48 HB VAL 7 HB VAL 7 -10.270 3.220 -0.959
49 1HG1 VAL 7 2HG1 VAL 7 -12.528 2.307 -0.465
50 2HG1 VAL 7 3HG1 VAL 7 -12.300 2.742 1.260
51 3HG1 VAL 7 1HG1 VAL 7 -12.320 3.998 0.006
52 1HG2 VAL 7 1HG2 VAL 7 -8.762 3.723 0.843
53 2HG2 VAL 7 2HG2 VAL 7 -10.212 4.761 0.934
54 3HG2 VAL 7 3HG2 VAL 7 -10.033 3.366 2.040
55 H HIS 8 H HIS 8 -11.198 0.791 2.164
56 HA HIS 8 HA HIS 8 -13.400 -0.462 0.750
57 1HB HIS 8 1HB HIS 8 -13.592 -2.353 2.047
58 2HB HIS 8 2HB HIS 8 -11.919 -2.373 1.541
59 HD1 HIS 8 HD1 HIS 8 -10.665 -0.556 3.857
60 HD2 HIS 8 HD2 HIS 8 -13.716 -3.397 4.391
61 HE1 HIS 8 HE1 HIS 8 -10.684 -1.082 6.319
62 HE2 HIS 8 HE2 HIS 8 -12.475 -2.897 6.685
63 H CYS 9 H CYS 9 -15.295 0.107 1.568
64 HA CYS 9 HA CYS 9 -15.430 1.934 3.925
65 1HB CYS 9 1HB CYS 9 -17.430 1.223 1.777
66 2HB CYS 9 2HB CYS 9 -17.671 2.457 3.001
67 H GLY 10 H GLY 10 -14.867 -0.006 5.202
68 1HA GLY 10 2HA GLY 10 -15.250 -1.786 6.551
69 2HA GLY 10 1HA GLY 10 -16.666 -2.220 5.563
70 H LYS 11 H LYS 11 -15.463 -0.209 8.161
71 HA LYS 11 HA LYS 11 -18.027 0.164 9.602
72 1HB LYS 11 1HB LYS 11 -15.339 1.530 9.918
73 2HB LYS 11 2HB LYS 11 -16.711 1.725 10.992
74 1HG LYS 11 1HG LYS 11 -16.676 -0.734 11.474
75 2HG LYS 11 2HG LYS 11 -15.179 -0.870 10.549
76 1HD LYS 11 1HD LYS 11 -15.567 0.863 13.019
77 2HD LYS 11 2HD LYS 11 -14.780 -0.711 12.983
78 1HE LYS 11 1HE LYS 11 -13.074 0.178 11.397
79 2HE LYS 11 2HE LYS 11 -13.829 1.774 11.498
80 1HZ LYS 11 3HZ LYS 11 -13.333 1.751 13.907
81 2HZ LYS 11 2HZ LYS 11 -12.590 0.321 13.773
82 3HZ LYS 11 1HZ LYS 11 -11.971 1.601 13.013
83 H HIS 12 H HIS 12 -16.984 1.267 6.781
84 HA HIS 12 HA HIS 12 -17.729 2.765 5.251
85 1HB HIS 12 1HB HIS 12 -19.826 3.861 7.088
86 2HB HIS 12 2HB HIS 12 -19.813 3.714 5.331
87 HD1 HIS 12 HD1 HIS 12 -20.062 0.957 4.476
88 HD2 HIS 12 HD2 HIS 12 -20.782 1.989 8.503
89 HE1 HIS 12 HE1 HIS 12 -21.298 -1.019 5.518
90 HE2 HIS 12 HE2 HIS 12 -21.750 -0.421 7.964
91 H SER 13 H SER 13 -16.082 3.722 7.825
92 HA SER 13 HA SER 13 -15.669 6.552 7.328
93 1HB SER 13 1HB SER 13 -13.402 6.006 8.356
94 2HB SER 13 2HB SER 13 -14.796 5.550 9.351
95 HG SER 13 HG SER 13 -13.296 3.832 9.224
96 H CYS 14 H CYS 14 -14.956 3.717 5.502
97 HA CYS 14 HA CYS 14 -14.047 3.283 3.505
98 1HB CYS 14 1HB CYS 14 -14.242 6.236 3.079
99 2HB CYS 14 2HB CYS 14 -13.790 5.068 1.847
100 H THR 15 H THR 15 -12.166 2.395 4.512
101 HA THR 15 HA THR 15 -9.685 4.066 4.584
102 HB THR 15 HB THR 15 -9.242 2.665 6.643
103 HG1 THR 15 HG1 THR 15 -11.189 1.981 7.708
104 1HG2 THR 15 1HG2 THR 15 -9.901 5.064 6.775
105 2HG2 THR 15 3HG2 THR 15 -11.599 4.612 6.824
106 3HG2 THR 15 2HG2 THR 15 -10.527 4.152 8.157
107 H VAL 16 H VAL 16 -7.801 2.679 5.075
108 HA VAL 16 HA VAL 16 -6.581 1.445 3.235
109 HB VAL 16 HB VAL 16 -6.715 0.614 6.148
110 1HG1 VAL 16 1HG1 VAL 16 -4.883 -0.720 4.154
111 2HG1 VAL 16 2HG1 VAL 16 -4.529 -0.627 5.882
112 3HG1 VAL 16 3HG1 VAL 16 -5.960 -1.479 5.349
113 1HG2 VAL 16 3HG2 VAL 16 -5.642 2.790 5.423
114 2HG2 VAL 16 1HG2 VAL 16 -4.541 1.678 6.292
115 3HG2 VAL 16 2HG2 VAL 16 -4.429 1.838 4.552
116 H ASP 17 H ASP 17 -7.322 0.368 1.656
117 HA ASP 17 HA ASP 17 -6.702 -2.472 2.314
118 1HB ASP 17 1HB ASP 17 -8.337 -2.273 0.422
119 2HB ASP 17 2HB ASP 17 -7.157 -1.277 -0.429
120 H TRP 18 H TRP 18 -5.590 0.686 1.194
121 HA TRP 18 HA TRP 18 -3.226 0.141 -0.077
122 1HB TRP 18 1HB TRP 18 -2.757 2.489 0.142
123 2HB TRP 18 2HB TRP 18 -4.463 2.274 -0.154
124 HD1 TRP 18 HD1 TRP 18 -6.113 3.374 1.492
125 HE1 TRP 18 HE1 TRP 18 -5.888 4.928 3.517
126 HE3 TRP 18 HE3 TRP 18 -1.118 2.741 2.502
127 HZ2 TRP 18 HZ2 TRP 18 -3.851 5.838 5.293
128 HZ3 TRP 18 HZ3 TRP 18 -0.073 3.997 4.398
129 HH2 TRP 18 HH2 TRP 18 -1.383 5.515 5.768
130 H GLY 19 H GLY 19 -3.578 0.017 3.328
131 1HA GLY 19 2HA GLY 19 -2.071 -0.486 5.039
132 2HA GLY 19 1HA GLY 19 -1.212 0.917 4.415
133 H THR 20 H THR 20 -1.672 -2.307 2.967
134 HA THR 20 HA THR 20 0.942 -3.373 3.506
135 HB THR 20 HB THR 20 -0.976 -4.119 1.253
136 HG1 THR 20 HG1 THR 20 -1.592 -5.709 2.782
137 1HG2 THR 20 2HG2 THR 20 1.271 -5.682 2.598
138 2HG2 THR 20 1HG2 THR 20 0.097 -6.361 1.447
139 3HG2 THR 20 3HG2 THR 20 1.228 -5.127 0.899
140 H ALA 21 H ALA 21 -0.327 -1.652 0.687
141 HA ALA 21 HA ALA 21 1.943 -1.890 -1.029
142 1HB ALA 21 3HB ALA 21 -0.285 -1.205 -1.827
143 2HB ALA 21 1HB ALA 21 -0.161 0.340 -0.982
144 3HB ALA 21 2HB ALA 21 0.982 -0.053 -2.277
145 H ILE 22 H ILE 22 1.006 0.979 0.969
146 HA ILE 22 HA ILE 22 3.500 2.290 0.694
147 HB ILE 22 HB ILE 22 1.376 2.535 2.853
148 1HG1 ILE 22 1HG1 ILE 22 0.334 2.821 0.658
149 2HG1 ILE 22 2HG1 ILE 22 0.368 4.303 1.521
150 1HG2 ILE 22 3HG2 ILE 22 3.596 4.401 1.970
151 2HG2 ILE 22 1HG2 ILE 22 2.213 4.928 2.974
152 3HG2 ILE 22 2HG2 ILE 22 3.334 3.723 3.596
153 1HD1 ILE 22 3HD1 ILE 22 2.293 3.589 -0.743
154 2HD1 ILE 22 1HD1 ILE 22 0.893 4.674 -0.833
155 3HD1 ILE 22 2HD1 ILE 22 2.278 5.123 0.169
156 H GLY 23 H GLY 23 2.444 -0.171 3.032
157 1HA GLY 23 2HA GLY 23 3.652 -1.366 4.588
158 2HA GLY 23 1HA GLY 23 4.632 0.085 4.864
159 H CYS 24 H CYS 24 4.212 -2.042 2.047
160 HA CYS 24 HA CYS 24 6.741 -3.296 1.991
161 1HB CYS 24 1HB CYS 24 4.782 -2.614 -0.242
162 2HB CYS 24 2HB CYS 24 6.269 -3.526 -0.475
163 H ILE 25 H ILE 25 5.856 -0.543 -0.232
164 HA ILE 25 HA ILE 25 8.148 0.638 -0.915
165 HB ILE 25 HB ILE 25 5.587 1.841 0.139
166 1HG1 ILE 25 1HG1 ILE 25 6.813 1.833 -2.645
167 2HG1 ILE 25 2HG1 ILE 25 5.785 0.528 -2.060
168 1HG2 ILE 25 3HG2 ILE 25 7.961 3.415 -0.915
169 2HG2 ILE 25 1HG2 ILE 25 6.323 4.055 -0.861
170 3HG2 ILE 25 2HG2 ILE 25 7.119 3.610 0.644
171 1HD1 ILE 25 3HD1 ILE 25 3.957 2.121 -1.697
172 2HD1 ILE 25 1HD1 ILE 25 4.959 3.406 -2.425
173 3HD1 ILE 25 2HD1 ILE 25 4.473 1.998 -3.401
174 H GLY 26 H GLY 26 6.764 1.578 2.275
175 1HA GLY 26 2HA GLY 26 7.843 2.390 4.209
176 2HA GLY 26 1HA GLY 26 8.855 3.233 3.041
177 H ASN 27 H ASN 27 8.566 -0.154 4.044
178 HA ASN 27 HA ASN 27 10.944 -0.305 5.581
179 1HB ASN 27 1HB ASN 27 9.122 -1.856 5.842
180 2HB ASN 27 2HB ASN 27 9.310 -2.482 4.198
181 1HD2 ASN 27 1HD2 ASN 27 10.199 -4.526 4.331
182 2HD2 ASN 27 2HD2 ASN 27 11.481 -4.950 5.465
183 H ASN 28 H ASN 28 10.504 -1.811 2.323
184 HA ASN 28 HA ASN 28 13.407 -2.167 2.208
185 1HB ASN 28 1HB ASN 28 11.435 -3.743 1.279
186 2HB ASN 28 2HB ASN 28 11.882 -2.851 -0.211
187 1HD2 ASN 28 1HD2 ASN 28 14.379 -2.732 -0.545
188 2HD2 ASN 28 2HD2 ASN 28 15.211 -4.252 -0.267
189 H ALA 29 H ALA 29 11.360 0.445 1.080
190 HA ALA 29 HA ALA 29 13.372 1.462 -0.733
191 1HB ALA 29 1HB ALA 29 11.501 3.114 0.991
192 2HB ALA 29 2HB ALA 29 12.567 3.676 -0.290
193 3HB ALA 29 3HB ALA 29 11.191 2.615 -0.695
194 H ALA 30 H ALA 30 12.927 1.865 2.894
195 HA ALA 30 HA ALA 30 15.237 3.556 2.935
196 1HB ALA 30 3HB ALA 30 13.552 3.547 4.736
197 2HB ALA 30 2HB ALA 30 15.188 3.290 5.377
198 3HB ALA 30 1HB ALA 30 14.100 1.903 5.221
199 H ALA 31 H ALA 31 14.957 0.056 3.034
200 HA ALA 31 HA ALA 31 17.775 -0.508 3.393
201 1HB ALA 31 1HB ALA 31 15.718 -2.093 1.830
202 2HB ALA 31 2HB ALA 31 17.307 -2.663 2.379
203 3HB ALA 31 3HB ALA 31 16.076 -2.249 3.579
204 H ASN 32 H ASN 32 15.871 -0.070 0.361
205 HA ASN 32 HA ASN 32 18.003 -0.345 -1.535
206 1HB ASN 32 1HB ASN 32 15.283 0.991 -1.679
207 2HB ASN 32 2HB ASN 32 16.379 0.814 -3.057
208 1HD2 ASN 32 1HD2 ASN 32 13.676 -0.300 -2.816
209 2HD2 ASN 32 2HD2 ASN 32 13.996 -1.999 -3.150
210 H TRP 33 H TRP 33 16.615 2.559 -0.139
211 HA TRP 33 HA TRP 33 18.162 4.650 -1.351
212 1HB TRP 33 1HB TRP 33 17.415 3.327 -3.343
213 2HB TRP 33 2HB TRP 33 15.771 3.410 -2.750
214 HD1 TRP 33 HD1 TRP 33 15.488 4.297 -5.397
215 HE1 TRP 33 HE1 TRP 33 15.609 6.636 -6.413
216 HE3 TRP 33 HE3 TRP 33 17.503 6.771 -1.491
217 HZ2 TRP 33 HZ2 TRP 33 16.683 9.199 -5.739
218 HZ3 TRP 33 HZ3 TRP 33 18.142 9.195 -1.675
219 HH2 TRP 33 HH2 TRP 33 17.725 10.411 -3.821
220 H ALA 34 H ALA 34 15.132 5.172 -2.099
221 HA ALA 34 HA ALA 34 13.920 6.301 0.352
222 1HB ALA 34 1HB ALA 34 15.310 8.070 -0.603
223 2HB ALA 34 2HB ALA 34 14.612 7.819 -2.220
224 3HB ALA 34 3HB ALA 34 13.601 8.453 -0.905
225 H THR 35 H THR 35 13.686 5.581 -3.150
226 HA THR 35 HA THR 35 11.660 3.623 -2.686
227 HB THR 35 HB THR 35 10.302 4.632 -4.771
228 HG1 THR 35 HG1 THR 35 10.821 6.893 -3.218
229 1HG2 THR 35 3HG2 THR 35 9.280 3.775 -2.742
230 2HG2 THR 35 2HG2 THR 35 9.548 5.351 -1.945
231 3HG2 THR 35 1HG2 THR 35 8.473 5.220 -3.343
232 H GLY 36 H GLY 36 13.438 2.267 -3.380
233 1HA GLY 36 2HA GLY 36 12.293 1.776 -6.053
234 2HA GLY 36 1HA GLY 36 12.907 0.590 -4.936
235 H GLY 37 H GLY 37 15.571 1.972 -4.669
236 1HA GLY 37 2HA GLY 37 17.632 1.262 -5.475
237 2HA GLY 37 1HA GLY 37 17.037 1.615 -7.107
238 H ASN 38 H ASN 38 15.155 -0.675 -5.340
239 HA ASN 38 HA ASN 38 15.620 -2.632 -7.441
240 1HB ASN 38 1HB ASN 38 17.400 -3.227 -5.825
241 2HB ASN 38 2HB ASN 38 16.168 -3.437 -4.561
242 1HD2 ASN 38 1HD2 ASN 38 16.349 -5.578 -4.155
243 2HD2 ASN 38 2HD2 ASN 38 16.128 -6.833 -5.388
244 H ALA 39 H ALA 39 14.127 -4.475 -7.297
245 HA ALA 39 HA ALA 39 11.404 -3.836 -6.394
246 1HB ALA 39 2HB ALA 39 10.922 -5.978 -7.630
247 2HB ALA 39 1HB ALA 39 12.663 -6.226 -7.853
248 3HB ALA 39 3HB ALA 39 11.842 -4.838 -8.601
249 H GLY 40 H GLY 40 13.670 -4.406 -4.474
250 1HA GLY 40 2HA GLY 40 13.973 -5.254 -2.385
251 2HA GLY 40 1HA GLY 40 13.565 -6.814 -3.076
252 H TRP 41 H TRP 41 11.307 -4.080 -2.801
253 HA TRP 41 HA TRP 41 9.551 -5.843 -1.132
254 1HB TRP 41 1HB TRP 41 8.305 -4.115 -0.474
255 2HB TRP 41 2HB TRP 41 9.838 -3.317 -0.469
256 HD1 TRP 41 HD1 TRP 41 6.727 -3.802 -2.687
257 HE1 TRP 41 HE1 TRP 41 6.270 -1.623 -4.015
258 HE3 TRP 41 HE3 TRP 41 10.882 -1.391 -1.431
259 HZ2 TRP 41 HZ2 TRP 41 7.770 0.834 -4.630
260 HZ3 TRP 41 HZ3 TRP 41 11.478 0.802 -2.365
261 HH2 TRP 41 HH2 TRP 41 9.950 1.919 -4.071
262 H ASN 42 H ASN 42 9.639 -3.852 -3.918
263 HA ASN 42 HA ASN 42 7.244 -4.043 -4.941
264 1HB ASN 42 1HB ASN 42 9.438 -2.787 -5.892
265 2HB ASN 42 2HB ASN 42 9.206 -3.977 -7.200
266 1HD2 ASN 42 1HD2 ASN 42 7.877 -1.336 -5.416
267 2HD2 ASN 42 2HD2 ASN 42 6.438 -1.000 -6.348
268 H LYS 43 H LYS 43 8.787 -6.824 -4.821
269 HA LYS 43 HA LYS 43 6.970 -8.468 -6.329
270 1HB LYS 43 1HB LYS 43 6.674 -9.821 -4.298
271 2HB LYS 43 2HB LYS 43 8.305 -9.772 -4.956
272 1HG LYS 43 1HG LYS 43 7.340 -8.211 -2.523
273 2HG LYS 43 2HG LYS 43 7.853 -9.872 -2.436
274 1HD LYS 43 1HD LYS 43 9.720 -7.729 -3.518
275 2HD LYS 43 2HD LYS 43 9.626 -8.129 -1.825
276 1HE LYS 43 1HE LYS 43 10.187 -10.490 -2.286
277 2HE LYS 43 2HE LYS 43 10.204 -10.175 -4.013
278 1HZ LYS 43 1HZ LYS 43 12.013 -8.786 -2.146
279 2HZ LYS 43 3HZ LYS 43 12.421 -10.143 -2.955
280 3HZ LYS 43 2HZ LYS 43 12.081 -8.777 -3.786
281 H CYS 44 H CYS 44 6.157 -6.478 -3.480
282 HA CYS 44 HA CYS 44 3.592 -7.435 -3.032
283 1HB CYS 44 1HB CYS 44 4.513 -4.588 -2.599
284 2HB CYS 44 2HB CYS 44 3.126 -5.362 -1.858
No H/Q in entry = 284
Start of MODEL 4
1 H1 LYS 1 3H LYS 1 17.966 -3.304 -3.024
2 H2 LYS 1 2H LYS 1 17.511 -2.051 -2.066
3 H3 LYS 1 1H LYS 1 19.022 -2.094 -2.710
4 HA LYS 1 HA LYS 1 19.594 -4.021 -1.462
5 1HB LYS 1 1HB LYS 1 18.848 -1.483 -0.139
6 2HB LYS 1 2HB LYS 1 19.025 -2.802 0.975
7 1HG LYS 1 1HG LYS 1 21.144 -2.063 -1.082
8 2HG LYS 1 2HG LYS 1 21.092 -1.486 0.612
9 1HD LYS 1 1HD LYS 1 21.190 -3.846 1.393
10 2HD LYS 1 2HD LYS 1 21.387 -4.388 -0.285
11 1HE LYS 1 1HE LYS 1 23.441 -2.997 -0.474
12 2HE LYS 1 2HE LYS 1 23.253 -2.497 1.195
13 1HZ LYS 1 1HZ LYS 1 23.470 -4.834 1.854
14 2HZ LYS 1 3HZ LYS 1 23.678 -5.292 0.289
15 3HZ LYS 1 2HZ LYS 1 24.795 -4.385 1.037
16 H TYR 2 H TYR 2 18.082 -4.255 1.291
17 HA TYR 2 HA TYR 2 17.500 -6.911 0.550
18 1HB TYR 2 1HB TYR 2 16.723 -5.502 3.119
19 2HB TYR 2 2HB TYR 2 16.926 -7.243 2.889
20 HD1 TYR 2 HD1 TYR 2 18.507 -4.517 4.320
21 HD2 TYR 2 HD2 TYR 2 19.341 -7.807 1.639
22 HE1 TYR 2 HE1 TYR 2 20.932 -4.310 4.795
23 HE2 TYR 2 HE2 TYR 2 21.773 -7.530 2.070
24 HH TYR 2 HH TYR 2 23.016 -5.097 4.365
25 H TYR 3 H TYR 3 15.340 -4.247 0.756
26 HA TYR 3 HA TYR 3 12.793 -5.517 0.879
27 1HB TYR 3 1HB TYR 3 12.016 -3.275 -0.138
28 2HB TYR 3 2HB TYR 3 12.715 -3.350 1.471
29 HD1 TYR 3 HD1 TYR 3 14.818 -2.568 1.965
30 HD2 TYR 3 HD2 TYR 3 13.392 -2.350 -2.037
31 HE1 TYR 3 HE1 TYR 3 16.669 -0.891 1.412
32 HE2 TYR 3 HE2 TYR 3 15.172 -0.729 -2.643
33 HH TYR 3 HH TYR 3 17.473 0.522 -0.215
34 H GLY 4 H GLY 4 15.055 -5.224 -1.806
35 1HA GLY 4 2HA GLY 4 12.947 -5.784 -3.863
36 2HA GLY 4 1HA GLY 4 14.638 -6.277 -3.971
37 H ASN 5 H ASN 5 12.959 -4.646 -5.788
38 HA ASN 5 HA ASN 5 14.902 -2.543 -6.295
39 1HB ASN 5 1HB ASN 5 14.031 -4.054 -8.039
40 2HB ASN 5 2HB ASN 5 12.409 -3.377 -7.818
41 1HD2 ASN 5 1HD2 ASN 5 11.908 -1.783 -9.357
42 2HD2 ASN 5 2HD2 ASN 5 13.129 -0.785 -10.117
43 H GLY 6 H GLY 6 11.836 -2.661 -4.804
44 1HA GLY 6 2HA GLY 6 10.192 -1.164 -4.282
45 2HA GLY 6 1HA GLY 6 10.909 0.020 -5.399
46 H VAL 7 H VAL 7 9.686 0.737 -3.082
47 HA VAL 7 HA VAL 7 9.827 2.179 -1.489
48 HB VAL 7 HB VAL 7 9.497 -0.061 -0.765
49 1HG1 VAL 7 3HG1 VAL 7 11.876 -0.694 -0.710
50 2HG1 VAL 7 1HG1 VAL 7 11.936 0.081 0.930
51 3HG1 VAL 7 2HG1 VAL 7 10.794 -1.247 0.592
52 1HG2 VAL 7 1HG2 VAL 7 10.313 2.142 1.126
53 2HG2 VAL 7 2HG2 VAL 7 8.758 1.885 0.283
54 3HG2 VAL 7 3HG2 VAL 7 9.276 0.736 1.550
55 H HIS 8 H HIS 8 12.504 1.015 -0.402
56 HA HIS 8 HA HIS 8 14.835 1.660 -0.026
57 1HB HIS 8 1HB HIS 8 14.064 4.533 -0.439
58 2HB HIS 8 2HB HIS 8 15.682 3.875 -0.278
59 HD1 HIS 8 HD1 HIS 8 14.362 1.446 -2.505
60 HD2 HIS 8 HD2 HIS 8 14.818 5.612 -2.805
61 HE1 HIS 8 HE1 HIS 8 13.898 1.997 -4.855
62 HE2 HIS 8 HE2 HIS 8 14.320 4.564 -5.145
63 H CYS 9 H CYS 9 14.761 0.890 1.987
64 HA CYS 9 HA CYS 9 13.145 1.528 4.101
65 1HB CYS 9 1HB CYS 9 16.110 0.767 4.110
66 2HB CYS 9 2HB CYS 9 15.132 0.822 5.566
67 H GLY 10 H GLY 10 12.942 3.406 5.518
68 1HA GLY 10 2HA GLY 10 12.918 5.762 5.204
69 2HA GLY 10 1HA GLY 10 14.559 5.741 4.580
70 H LYS 11 H LYS 11 14.753 3.889 7.178
71 HA LYS 11 HA LYS 11 15.154 3.923 9.412
72 1HB LYS 11 1HB LYS 11 17.010 5.483 8.712
73 2HB LYS 11 2HB LYS 11 15.964 6.830 9.157
74 1HG LYS 11 1HG LYS 11 15.944 6.092 11.520
75 2HG LYS 11 2HG LYS 11 16.750 4.605 11.094
76 1HD LYS 11 1HD LYS 11 18.382 6.036 12.074
77 2HD LYS 11 2HD LYS 11 18.764 5.808 10.376
78 1HE LYS 11 1HE LYS 11 19.193 8.096 10.870
79 2HE LYS 11 2HE LYS 11 17.766 8.060 9.868
80 1HZ LYS 11 2HZ LYS 11 17.779 8.359 12.817
81 2HZ LYS 11 1HZ LYS 11 17.533 9.568 11.759
82 3HZ LYS 11 3HZ LYS 11 16.429 8.374 11.908
83 H HIS 12 H HIS 12 13.180 6.499 8.366
84 HA HIS 12 HA HIS 12 11.104 6.782 10.232
85 1HB HIS 12 1HB HIS 12 11.285 6.381 7.229
86 2HB HIS 12 2HB HIS 12 9.722 6.233 7.964
87 HD1 HIS 12 HD1 HIS 12 8.519 8.570 8.520
88 HD2 HIS 12 HD2 HIS 12 12.587 8.778 7.416
89 HE1 HIS 12 HE1 HIS 12 9.045 11.055 8.207
90 HE2 HIS 12 HE2 HIS 12 11.526 11.209 7.611
91 H SER 13 H SER 13 11.650 4.070 8.126
92 HA SER 13 HA SER 13 10.608 1.827 9.494
93 1HB SER 13 1HB SER 13 8.416 1.639 8.312
94 2HB SER 13 2HB SER 13 8.430 2.966 9.439
95 HG SER 13 HG SER 13 7.574 3.654 7.498
96 H CYS 14 H CYS 14 9.584 0.478 7.227
97 HA CYS 14 HA CYS 14 10.986 1.118 4.886
98 1HB CYS 14 1HB CYS 14 12.795 -0.141 6.174
99 2HB CYS 14 2HB CYS 14 11.775 -1.563 6.183
100 H THR 15 H THR 15 10.283 -0.302 3.172
101 HA THR 15 HA THR 15 7.982 -2.092 3.827
102 HB THR 15 HB THR 15 7.214 -0.158 1.683
103 HG1 THR 15 HG1 THR 15 6.494 1.344 3.162
104 1HG2 THR 15 2HG2 THR 15 5.737 -2.041 2.489
105 2HG2 THR 15 1HG2 THR 15 5.626 -1.206 4.056
106 3HG2 THR 15 3HG2 THR 15 5.002 -0.419 2.622
107 H VAL 16 H VAL 16 7.182 -1.710 0.789
108 HA VAL 16 HA VAL 16 9.433 -3.009 -0.619
109 HB VAL 16 HB VAL 16 8.362 -4.899 0.285
110 1HG1 VAL 16 2HG1 VAL 16 5.654 -3.818 -0.594
111 2HG1 VAL 16 3HG1 VAL 16 5.918 -5.415 0.145
112 3HG1 VAL 16 1HG1 VAL 16 6.234 -3.979 1.103
113 1HG2 VAL 16 3HG2 VAL 16 8.697 -5.017 -2.209
114 2HG2 VAL 16 1HG2 VAL 16 7.468 -6.149 -1.537
115 3HG2 VAL 16 2HG2 VAL 16 6.967 -4.642 -2.352
116 H ASP 17 H ASP 17 7.566 -0.559 -0.675
117 HA ASP 17 HA ASP 17 7.095 1.075 -2.138
118 1HB ASP 17 1HB ASP 17 8.410 -0.296 -3.960
119 2HB ASP 17 2HB ASP 17 6.820 -0.813 -4.498
120 H TRP 18 H TRP 18 5.347 -1.834 -1.797
121 HA TRP 18 HA TRP 18 2.697 -0.580 -2.270
122 1HB TRP 18 1HB TRP 18 2.107 -2.328 -3.880
123 2HB TRP 18 2HB TRP 18 3.485 -1.386 -4.431
124 HD1 TRP 18 HD1 TRP 18 5.956 -2.634 -3.833
125 HE1 TRP 18 HE1 TRP 18 6.583 -4.984 -4.632
126 HE3 TRP 18 HE3 TRP 18 1.352 -4.730 -3.627
127 HZ2 TRP 18 HZ2 TRP 18 5.218 -7.508 -5.114
128 HZ3 TRP 18 HZ3 TRP 18 1.039 -7.175 -4.143
129 HH2 TRP 18 HH2 TRP 18 2.958 -8.534 -4.920
130 H GLY 19 H GLY 19 4.277 -2.316 0.003
131 1HA GLY 19 2HA GLY 19 3.581 -3.814 1.681
132 2HA GLY 19 1HA GLY 19 2.334 -4.416 0.565
133 H THR 20 H THR 20 2.871 -1.065 1.632
134 HA THR 20 HA THR 20 0.495 -0.776 3.257
135 HB THR 20 HB THR 20 0.904 1.715 2.668
136 HG1 THR 20 HG1 THR 20 2.946 2.102 1.840
137 1HG2 THR 20 2HG2 THR 20 3.080 0.058 4.010
138 2HG2 THR 20 1HG2 THR 20 2.901 1.823 4.161
139 3HG2 THR 20 3HG2 THR 20 1.646 0.717 4.796
140 H ALA 21 H ALA 21 1.157 -0.441 -0.229
141 HA ALA 21 HA ALA 21 -1.343 0.733 -1.016
142 1HB ALA 21 2HB ALA 21 0.407 -1.195 -2.643
143 2HB ALA 21 1HB ALA 21 0.736 0.536 -2.451
144 3HB ALA 21 3HB ALA 21 -0.750 -0.018 -3.264
145 H ILE 22 H ILE 22 -0.414 -2.789 -0.920
146 HA ILE 22 HA ILE 22 -3.037 -3.799 -1.308
147 HB ILE 22 HB ILE 22 -0.611 -4.921 0.136
148 1HG1 ILE 22 1HG1 ILE 22 -0.368 -4.375 -2.307
149 2HG1 ILE 22 2HG1 ILE 22 -0.036 -6.025 -1.843
150 1HG2 ILE 22 1HG2 ILE 22 -3.192 -6.331 -0.609
151 2HG2 ILE 22 2HG2 ILE 22 -1.671 -7.188 -0.257
152 3HG2 ILE 22 3HG2 ILE 22 -2.418 -6.198 0.994
153 1HD1 ILE 22 2HD1 ILE 22 -2.652 -5.090 -3.135
154 2HD1 ILE 22 3HD1 ILE 22 -1.302 -5.811 -3.996
155 3HD1 ILE 22 1HD1 ILE 22 -2.174 -6.764 -2.786
156 H GLY 23 H GLY 23 -1.341 -2.933 1.743
157 1HA GLY 23 2HA GLY 23 -2.170 -2.298 3.783
158 2HA GLY 23 1HA GLY 23 -3.274 -3.683 3.600
159 H CYS 24 H CYS 24 -2.993 -0.528 1.954
160 HA CYS 24 HA CYS 24 -5.357 0.751 2.780
161 1HB CYS 24 1HB CYS 24 -3.605 2.004 1.710
162 2HB CYS 24 2HB CYS 24 -3.583 0.922 0.346
163 H ILE 25 H ILE 25 -4.945 -0.662 -0.464
164 HA ILE 25 HA ILE 25 -7.637 -0.793 -1.235
165 HB ILE 25 HB ILE 25 -5.189 -2.295 -2.097
166 1HG1 ILE 25 1HG1 ILE 25 -5.930 -1.324 -4.336
167 2HG1 ILE 25 2HG1 ILE 25 -7.258 -0.557 -3.535
168 1HG2 ILE 25 3HG2 ILE 25 -7.987 -2.988 -3.073
169 2HG2 ILE 25 1HG2 ILE 25 -6.461 -3.478 -3.859
170 3HG2 ILE 25 2HG2 ILE 25 -6.830 -4.081 -2.267
171 1HD1 ILE 25 3HD1 ILE 25 -4.320 0.010 -2.921
172 2HD1 ILE 25 1HD1 ILE 25 -5.378 0.966 -3.969
173 3HD1 ILE 25 2HD1 ILE 25 -5.714 0.884 -2.232
174 H GLY 26 H GLY 26 -5.980 -3.381 0.740
175 1HA GLY 26 2HA GLY 26 -6.931 -5.152 1.882
176 2HA GLY 26 1HA GLY 26 -8.251 -5.169 0.711
177 H ASN 27 H ASN 27 -7.240 -2.861 3.302
178 HA ASN 27 HA ASN 27 -9.566 -3.365 4.958
179 1HB ASN 27 1HB ASN 27 -7.427 -2.437 5.816
180 2HB ASN 27 2HB ASN 27 -7.646 -1.004 4.822
181 1HD2 ASN 27 1HD2 ASN 27 -8.875 -2.795 7.657
182 2HD2 ASN 27 2HD2 ASN 27 -9.790 -1.415 8.272
183 H ASN 28 H ASN 28 -8.813 -0.829 2.600
184 HA ASN 28 HA ASN 28 -11.339 0.525 2.787
185 1HB ASN 28 1HB ASN 28 -9.187 0.471 0.599
186 2HB ASN 28 2HB ASN 28 -10.616 1.471 0.564
187 1HD2 ASN 28 1HD2 ASN 28 -10.948 2.753 2.922
188 2HD2 ASN 28 2HD2 ASN 28 -9.444 3.618 3.246
189 H ALA 29 H ALA 29 -10.329 -2.204 0.645
190 HA ALA 29 HA ALA 29 -12.675 -2.417 -0.944
191 1HB ALA 29 1HB ALA 29 -10.926 -3.970 -1.398
192 2HB ALA 29 3HB ALA 29 -12.316 -4.895 -0.754
193 3HB ALA 29 2HB ALA 29 -10.916 -4.589 0.278
194 H ALA 30 H ALA 30 -12.128 -4.050 2.293
195 HA ALA 30 HA ALA 30 -14.896 -4.776 2.324
196 1HB ALA 30 3HB ALA 30 -12.949 -4.502 4.696
197 2HB ALA 30 1HB ALA 30 -14.483 -5.401 4.694
198 3HB ALA 30 2HB ALA 30 -13.147 -5.948 3.677
199 H ALA 31 H ALA 31 -13.477 -1.713 3.269
200 HA ALA 31 HA ALA 31 -15.836 -0.735 4.577
201 1HB ALA 31 3HB ALA 31 -13.603 0.288 4.881
202 2HB ALA 31 1HB ALA 31 -13.652 0.847 3.181
203 3HB ALA 31 2HB ALA 31 -14.816 1.451 4.347
204 H ASN 32 H ASN 32 -15.079 -1.132 1.213
205 HA ASN 32 HA ASN 32 -17.564 0.336 0.409
206 1HB ASN 32 1HB ASN 32 -16.707 0.745 -1.659
207 2HB ASN 32 2HB ASN 32 -15.514 1.221 -0.449
208 1HD2 ASN 32 1HD2 ASN 32 -13.455 0.647 -1.025
209 2HD2 ASN 32 2HD2 ASN 32 -13.058 -0.581 -2.223
210 H TRP 33 H TRP 33 -16.275 -2.828 0.420
211 HA TRP 33 HA TRP 33 -18.212 -4.634 -0.302
212 1HB TRP 33 1HB TRP 33 -18.907 -3.423 -2.217
213 2HB TRP 33 2HB TRP 33 -17.237 -3.014 -2.610
214 HD1 TRP 33 HD1 TRP 33 -17.196 -3.638 -4.953
215 HE1 TRP 33 HE1 TRP 33 -17.582 -5.808 -6.377
216 HE3 TRP 33 HE3 TRP 33 -17.912 -6.817 -1.203
217 HZ2 TRP 33 HZ2 TRP 33 -18.234 -8.610 -5.819
218 HZ3 TRP 33 HZ3 TRP 33 -18.299 -9.277 -1.569
219 HH2 TRP 33 HH2 TRP 33 -18.496 -10.155 -3.879
220 H ALA 34 H ALA 34 -15.771 -4.501 -2.661
221 HA ALA 34 HA ALA 34 -13.703 -6.141 -1.391
222 1HB ALA 34 1HB ALA 34 -15.333 -7.196 -3.717
223 2HB ALA 34 2HB ALA 34 -13.915 -7.947 -2.952
224 3HB ALA 34 3HB ALA 34 -15.405 -7.774 -2.026
225 H THR 35 H THR 35 -13.621 -3.566 -2.243
226 HA THR 35 HA THR 35 -12.897 -1.896 -3.499
227 HB THR 35 HB THR 35 -10.772 -2.557 -3.340
228 HG1 THR 35 HG1 THR 35 -9.957 -1.819 -5.350
229 1HG2 THR 35 3HG2 THR 35 -11.010 -4.447 -5.724
230 2HG2 THR 35 2HG2 THR 35 -9.506 -3.943 -4.933
231 3HG2 THR 35 1HG2 THR 35 -10.683 -4.908 -4.041
232 H GLY 36 H GLY 36 -15.050 -1.664 -4.170
233 1HA GLY 36 2HA GLY 36 -15.978 -2.586 -6.728
234 2HA GLY 36 1HA GLY 36 -15.107 -1.094 -6.938
235 H GLY 37 H GLY 37 -16.942 -1.441 -3.912
236 1HA GLY 37 2HA GLY 37 -18.597 -0.037 -3.076
237 2HA GLY 37 1HA GLY 37 -19.432 -0.350 -4.591
238 H ASN 38 H ASN 38 -16.559 1.536 -3.579
239 HA ASN 38 HA ASN 38 -16.909 3.648 -5.486
240 1HB ASN 38 1HB ASN 38 -17.375 5.480 -3.946
241 2HB ASN 38 2HB ASN 38 -18.676 4.297 -3.856
242 1HD2 ASN 38 1HD2 ASN 38 -16.285 6.004 -2.011
243 2HD2 ASN 38 2HD2 ASN 38 -16.605 5.172 -0.492
244 H ALA 39 H ALA 39 -15.047 4.903 -5.664
245 HA ALA 39 HA ALA 39 -12.596 3.934 -4.357
246 1HB ALA 39 3HB ALA 39 -12.742 4.407 -6.802
247 2HB ALA 39 2HB ALA 39 -11.480 5.348 -6.003
248 3HB ALA 39 1HB ALA 39 -13.007 6.117 -6.462
249 H GLY 40 H GLY 40 -14.744 6.556 -3.828
250 1HA GLY 40 2HA GLY 40 -14.898 8.172 -2.215
251 2HA GLY 40 1HA GLY 40 -13.177 8.462 -2.487
252 H TRP 41 H TRP 41 -13.128 5.396 -1.549
253 HA TRP 41 HA TRP 41 -13.397 5.170 1.230
254 1HB TRP 41 1HB TRP 41 -11.930 3.371 1.022
255 2HB TRP 41 2HB TRP 41 -12.915 3.382 -0.399
256 HD1 TRP 41 HD1 TRP 41 -9.330 4.555 0.581
257 HE1 TRP 41 HE1 TRP 41 -7.657 3.411 -0.937
258 HE3 TRP 41 HE3 TRP 41 -12.544 2.247 -2.679
259 HZ2 TRP 41 HZ2 TRP 41 -7.620 1.844 -3.226
260 HZ3 TRP 41 HZ3 TRP 41 -11.597 0.649 -4.365
261 HH2 TRP 41 HH2 TRP 41 -9.170 0.512 -4.719
262 H ASN 42 H ASN 42 -10.935 6.442 -0.620
263 HA ASN 42 HA ASN 42 -9.754 8.556 0.333
264 1HB ASN 42 1HB ASN 42 -7.964 8.168 1.883
265 2HB ASN 42 2HB ASN 42 -9.461 7.714 2.613
266 1HD2 ASN 42 1HD2 ASN 42 -6.755 6.224 0.732
267 2HD2 ASN 42 2HD2 ASN 42 -6.772 4.704 1.642
268 H LYS 43 H LYS 43 -9.775 6.293 -1.811
269 HA LYS 43 HA LYS 43 -8.035 5.055 -2.981
270 1HB LYS 43 1HB LYS 43 -8.104 6.302 -5.090
271 2HB LYS 43 2HB LYS 43 -9.651 5.903 -4.352
272 1HG LYS 43 1HG LYS 43 -9.802 8.251 -3.431
273 2HG LYS 43 2HG LYS 43 -8.296 8.640 -4.257
274 1HD LYS 43 1HD LYS 43 -10.857 7.575 -5.592
275 2HD LYS 43 2HD LYS 43 -10.482 9.286 -5.451
276 1HE LYS 43 1HE LYS 43 -8.341 8.918 -6.738
277 2HE LYS 43 2HE LYS 43 -8.762 7.215 -6.916
278 1HZ LYS 43 3HZ LYS 43 -10.732 7.897 -8.186
279 2HZ LYS 43 2HZ LYS 43 -10.334 9.474 -7.991
280 3HZ LYS 43 1HZ LYS 43 -9.389 8.465 -8.876
281 H CYS 44 H CYS 44 -6.205 4.889 -1.867
282 HA CYS 44 HA CYS 44 -4.595 7.047 -1.288
283 1HB CYS 44 1HB CYS 44 -2.933 5.239 -0.458
284 2HB CYS 44 2HB CYS 44 -4.573 5.171 0.176
No H/Q in entry = 284
Start of MODEL 5
1 H1 LYS 1 1H LYS 1 18.257 -0.999 1.527
2 H2 LYS 1 3H LYS 1 16.749 -0.744 0.951
3 H3 LYS 1 2H LYS 1 17.811 0.485 0.983
4 HA LYS 1 HA LYS 1 17.945 0.371 3.392
5 1HB LYS 1 1HB LYS 1 16.360 1.956 2.129
6 2HB LYS 1 2HB LYS 1 15.064 0.861 2.573
7 1HG LYS 1 1HG LYS 1 15.663 1.179 4.998
8 2HG LYS 1 2HG LYS 1 16.973 2.233 4.527
9 1HD LYS 1 1HD LYS 1 15.414 3.837 3.523
10 2HD LYS 1 2HD LYS 1 14.040 2.751 3.879
11 1HE LYS 1 1HE LYS 1 14.619 2.910 6.318
12 2HE LYS 1 2HE LYS 1 15.900 4.027 5.932
13 1HZ LYS 1 2HZ LYS 1 14.156 5.530 4.993
14 2HZ LYS 1 1HZ LYS 1 12.990 4.503 5.423
15 3HZ LYS 1 3HZ LYS 1 13.880 5.234 6.569
16 H TYR 2 H TYR 2 14.764 -1.197 2.757
17 HA TYR 2 HA TYR 2 15.494 -3.355 4.705
18 1HB TYR 2 1HB TYR 2 13.399 -3.124 5.807
19 2HB TYR 2 2HB TYR 2 14.289 -1.619 5.853
20 HD1 TYR 2 HD1 TYR 2 13.419 0.398 4.896
21 HD2 TYR 2 HD2 TYR 2 11.307 -3.340 4.374
22 HE1 TYR 2 HE1 TYR 2 11.444 1.636 4.033
23 HE2 TYR 2 HE2 TYR 2 9.325 -2.088 3.553
24 HH TYR 2 HH TYR 2 9.301 1.489 3.316
25 H TYR 3 H TYR 3 15.274 -3.381 1.690
26 HA TYR 3 HA TYR 3 13.246 -4.439 0.451
27 1HB TYR 3 1HB TYR 3 15.443 -4.138 -0.541
28 2HB TYR 3 2HB TYR 3 16.020 -5.593 0.234
29 HD1 TYR 3 HD1 TYR 3 13.342 -4.365 -2.090
30 HD2 TYR 3 HD2 TYR 3 15.860 -7.660 -0.962
31 HE1 TYR 3 HE1 TYR 3 12.547 -5.627 -4.064
32 HE2 TYR 3 HE2 TYR 3 15.054 -8.942 -2.930
33 HH TYR 3 HH TYR 3 12.709 -7.563 -5.268
34 H GLY 4 H GLY 4 11.721 -5.795 0.854
35 1HA GLY 4 2HA GLY 4 10.605 -7.708 1.652
36 2HA GLY 4 1HA GLY 4 12.108 -8.586 1.839
37 H ASN 5 H ASN 5 10.032 -7.236 -0.352
38 HA ASN 5 HA ASN 5 11.069 -8.661 -2.798
39 1HB ASN 5 1HB ASN 5 9.266 -10.081 -1.649
40 2HB ASN 5 2HB ASN 5 8.136 -8.755 -1.984
41 1HD2 ASN 5 1HD2 ASN 5 6.888 -9.224 -3.769
42 2HD2 ASN 5 2HD2 ASN 5 7.482 -10.110 -5.176
43 H GLY 6 H GLY 6 9.986 -5.771 -1.562
44 1HA GLY 6 2HA GLY 6 8.100 -4.524 -2.636
45 2HA GLY 6 1HA GLY 6 8.890 -4.764 -4.169
46 H VAL 7 H VAL 7 10.752 -3.827 -1.292
47 HA VAL 7 HA VAL 7 10.651 -1.008 -1.753
48 HB VAL 7 HB VAL 7 11.818 -2.772 0.162
49 1HG1 VAL 7 1HG1 VAL 7 14.009 -2.337 -1.006
50 2HG1 VAL 7 2HG1 VAL 7 13.771 -0.593 -0.706
51 3HG1 VAL 7 3HG1 VAL 7 13.955 -1.696 0.665
52 1HG2 VAL 7 3HG2 VAL 7 11.660 0.278 0.092
53 2HG2 VAL 7 1HG2 VAL 7 10.393 -0.831 0.695
54 3HG2 VAL 7 2HG2 VAL 7 11.947 -0.721 1.516
55 H HIS 8 H HIS 8 12.185 0.430 -2.446
56 HA HIS 8 HA HIS 8 14.768 -0.306 -3.484
57 1HB HIS 8 1HB HIS 8 14.349 1.108 -5.655
58 2HB HIS 8 2HB HIS 8 14.038 -0.607 -5.596
59 HD1 HIS 8 HD1 HIS 8 11.779 2.456 -4.769
60 HD2 HIS 8 HD2 HIS 8 11.771 -1.409 -6.443
61 HE1 HIS 8 HE1 HIS 8 9.333 1.819 -5.149
62 HE2 HIS 8 HE2 HIS 8 9.340 -0.500 -6.314
63 H CYS 9 H CYS 9 15.356 0.918 -1.677
64 HA CYS 9 HA CYS 9 15.121 3.861 -1.917
65 1HB CYS 9 1HB CYS 9 13.316 2.908 -0.482
66 2HB CYS 9 2HB CYS 9 14.537 2.339 0.635
67 H GLY 10 H GLY 10 16.700 4.983 -0.577
68 1HA GLY 10 2HA GLY 10 19.028 5.329 -0.430
69 2HA GLY 10 1HA GLY 10 19.330 3.596 -0.302
70 H LYS 11 H LYS 11 19.249 6.446 1.434
71 HA LYS 11 HA LYS 11 19.007 5.071 4.095
72 1HB LYS 11 1HB LYS 11 20.363 7.700 3.340
73 2HB LYS 11 2HB LYS 11 20.397 6.954 4.906
74 1HG LYS 11 1HG LYS 11 21.699 5.849 2.370
75 2HG LYS 11 2HG LYS 11 22.509 6.595 3.746
76 1HD LYS 11 1HD LYS 11 20.997 3.944 3.803
77 2HD LYS 11 2HD LYS 11 22.736 4.128 3.708
78 1HE LYS 11 1HE LYS 11 22.641 5.452 5.880
79 2HE LYS 11 2HE LYS 11 20.938 5.008 6.011
80 1HZ LYS 11 3HZ LYS 11 21.621 2.648 5.999
81 2HZ LYS 11 2HZ LYS 11 23.199 3.088 5.928
82 3HZ LYS 11 1HZ LYS 11 22.322 3.462 7.235
83 H HIS 12 H HIS 12 17.158 6.851 2.039
84 HA HIS 12 HA HIS 12 16.096 8.684 4.135
85 1HB HIS 12 1HB HIS 12 17.564 9.531 2.216
86 2HB HIS 12 2HB HIS 12 16.214 9.258 1.135
87 HD1 HIS 12 HD1 HIS 12 14.562 11.455 1.107
88 HD2 HIS 12 HD2 HIS 12 17.231 11.077 4.361
89 HE1 HIS 12 HE1 HIS 12 14.282 13.574 2.482
90 HE2 HIS 12 HE2 HIS 12 15.880 13.384 4.472
91 H SER 13 H SER 13 14.275 9.062 1.492
92 HA SER 13 HA SER 13 11.960 7.430 2.528
93 1HB SER 13 1HB SER 13 11.962 10.427 2.004
94 2HB SER 13 2HB SER 13 10.578 9.451 2.531
95 HG SER 13 HG SER 13 11.760 8.999 4.442
96 H CYS 14 H CYS 14 12.304 6.186 0.751
97 HA CYS 14 HA CYS 14 11.542 7.304 -1.926
98 1HB CYS 14 1HB CYS 14 13.319 5.172 -2.367
99 2HB CYS 14 2HB CYS 14 13.567 6.884 -2.619
100 H THR 15 H THR 15 12.007 4.177 -0.524
101 HA THR 15 HA THR 15 10.837 2.212 -0.446
102 HB THR 15 HB THR 15 8.857 2.688 0.917
103 HG1 THR 15 HG1 THR 15 8.516 4.878 1.510
104 1HG2 THR 15 3HG2 THR 15 11.074 2.487 1.825
105 2HG2 THR 15 2HG2 THR 15 11.332 4.260 1.651
106 3HG2 THR 15 1HG2 THR 15 10.071 3.614 2.735
107 H VAL 16 H VAL 16 7.794 1.462 -2.378
108 HA VAL 16 HA VAL 16 8.511 0.880 0.418
109 HB VAL 16 HB VAL 16 6.812 2.686 0.420
110 1HG1 VAL 16 1HG1 VAL 16 5.705 2.350 -1.772
111 2HG1 VAL 16 2HG1 VAL 16 4.986 0.866 -1.187
112 3HG1 VAL 16 3HG1 VAL 16 4.540 2.418 -0.458
113 1HG2 VAL 16 2HG2 VAL 16 6.752 0.977 2.147
114 2HG2 VAL 16 3HG2 VAL 16 5.153 1.696 1.817
115 3HG2 VAL 16 1HG2 VAL 16 5.516 0.082 1.196
116 H ASP 17 H ASP 17 8.568 -1.165 0.815
117 HA ASP 17 HA ASP 17 8.077 -3.251 -0.981
118 1HB ASP 17 1HB ASP 17 9.545 -2.999 1.249
119 2HB ASP 17 2HB ASP 17 8.120 -3.645 2.029
120 H TRP 18 H TRP 18 6.125 -2.187 1.754
121 HA TRP 18 HA TRP 18 3.914 -4.077 1.314
122 1HB TRP 18 1HB TRP 18 3.013 -2.925 3.373
123 2HB TRP 18 2HB TRP 18 4.553 -3.711 3.553
124 HD1 TRP 18 HD1 TRP 18 6.761 -2.194 3.798
125 HE1 TRP 18 HE1 TRP 18 7.056 0.117 4.845
126 HE3 TRP 18 HE3 TRP 18 1.923 -0.547 3.548
127 HZ2 TRP 18 HZ2 TRP 18 5.389 2.337 5.645
128 HZ3 TRP 18 HZ3 TRP 18 1.282 1.637 4.551
129 HH2 TRP 18 HH2 TRP 18 3.018 3.098 5.584
130 H GLY 19 H GLY 19 4.666 -1.606 -0.499
131 1HA GLY 19 2HA GLY 19 3.456 -0.300 -2.025
132 2HA GLY 19 1HA GLY 19 2.332 0.009 -0.721
133 H THR 20 H THR 20 2.840 -3.329 -1.617
134 HA THR 20 HA THR 20 0.692 -3.627 -3.508
135 HB THR 20 HB THR 20 0.776 -6.066 -2.755
136 HG1 THR 20 HG1 THR 20 2.568 -6.533 -1.356
137 1HG2 THR 20 1HG2 THR 20 2.239 -5.131 -4.593
138 2HG2 THR 20 3HG2 THR 20 3.516 -4.894 -3.383
139 3HG2 THR 20 2HG2 THR 20 2.935 -6.533 -3.769
140 H ALA 21 H ALA 21 0.790 -3.875 0.020
141 HA ALA 21 HA ALA 21 -1.987 -4.564 0.363
142 1HB ALA 21 1HB ALA 21 -0.180 -5.020 2.030
143 2HB ALA 21 3HB ALA 21 -1.550 -4.113 2.733
144 3HB ALA 21 2HB ALA 21 -0.046 -3.285 2.339
145 H ILE 22 H ILE 22 -0.229 -1.420 0.856
146 HA ILE 22 HA ILE 22 -2.712 0.018 1.220
147 HB ILE 22 HB ILE 22 -1.358 2.085 0.881
148 1HG1 ILE 22 1HG1 ILE 22 1.032 0.260 1.073
149 2HG1 ILE 22 2HG1 ILE 22 0.474 0.999 -0.450
150 1HG2 ILE 22 3HG2 ILE 22 -1.968 1.056 3.100
151 2HG2 ILE 22 1HG2 ILE 22 -0.460 0.146 3.068
152 3HG2 ILE 22 2HG2 ILE 22 -0.435 1.923 3.125
153 1HD1 ILE 22 2HD1 ILE 22 0.752 3.263 0.583
154 2HD1 ILE 22 3HD1 ILE 22 1.497 2.478 2.013
155 3HD1 ILE 22 1HD1 ILE 22 2.268 2.323 0.444
156 H GLY 23 H GLY 23 -1.052 -0.939 -1.727
157 1HA GLY 23 2HA GLY 23 -1.534 -0.508 -3.938
158 2HA GLY 23 1HA GLY 23 -2.514 0.884 -3.443
159 H CYS 24 H CYS 24 -2.854 -2.567 -2.509
160 HA CYS 24 HA CYS 24 -5.244 -3.218 -3.850
161 1HB CYS 24 1HB CYS 24 -3.782 -4.778 -2.673
162 2HB CYS 24 2HB CYS 24 -4.138 -4.053 -1.144
163 H ILE 25 H ILE 25 -4.877 -1.833 -0.546
164 HA ILE 25 HA ILE 25 -7.538 -0.915 -0.193
165 HB ILE 25 HB ILE 25 -4.901 -0.062 0.943
166 1HG1 ILE 25 1HG1 ILE 25 -6.341 -0.235 3.105
167 2HG1 ILE 25 2HG1 ILE 25 -7.631 -0.860 2.092
168 1HG2 ILE 25 1HG2 ILE 25 -7.364 1.717 1.137
169 2HG2 ILE 25 2HG2 ILE 25 -6.055 1.797 2.291
170 3HG2 ILE 25 3HG2 ILE 25 -5.728 2.172 0.610
171 1HD1 ILE 25 2HD1 ILE 25 -6.084 -2.713 1.398
172 2HD1 ILE 25 3HD1 ILE 25 -4.852 -2.058 2.488
173 3HD1 ILE 25 1HD1 ILE 25 -6.389 -2.689 3.143
174 H GLY 26 H GLY 26 -4.849 1.049 -1.636
175 1HA GLY 26 2HA GLY 26 -4.880 2.827 -3.074
176 2HA GLY 26 1HA GLY 26 -6.180 3.379 -2.012
177 H ASN 27 H ASN 27 -6.078 0.719 -4.416
178 HA ASN 27 HA ASN 27 -7.764 2.000 -6.371
179 1HB ASN 27 1HB ASN 27 -6.898 -0.872 -5.838
180 2HB ASN 27 2HB ASN 27 -8.019 -0.480 -7.129
181 1HD2 ASN 27 1HD2 ASN 27 -4.651 -0.235 -6.076
182 2HD2 ASN 27 2HD2 ASN 27 -4.061 0.394 -7.603
183 H ASN 28 H ASN 28 -8.569 -0.511 -3.903
184 HA ASN 28 HA ASN 28 -11.368 -0.512 -4.699
185 1HB ASN 28 1HB ASN 28 -9.934 -1.778 -2.352
186 2HB ASN 28 2HB ASN 28 -11.642 -1.993 -2.761
187 1HD2 ASN 28 1HD2 ASN 28 -8.444 -3.038 -3.482
188 2HD2 ASN 28 2HD2 ASN 28 -8.935 -4.150 -4.775
189 H ALA 29 H ALA 29 -9.656 1.271 -2.207
190 HA ALA 29 HA ALA 29 -11.935 2.550 -0.949
191 1HB ALA 29 2HB ALA 29 -10.292 4.379 -0.507
192 2HB ALA 29 3HB ALA 29 -9.684 2.810 0.044
193 3HB ALA 29 1HB ALA 29 -9.075 3.532 -1.474
194 H ALA 30 H ALA 30 -9.827 4.010 -3.614
195 HA ALA 30 HA ALA 30 -11.914 5.892 -3.833
196 1HB ALA 30 3HB ALA 30 -9.509 6.297 -4.447
197 2HB ALA 30 1HB ALA 30 -9.720 5.308 -5.900
198 3HB ALA 30 2HB ALA 30 -10.609 6.833 -5.730
199 H ALA 31 H ALA 31 -12.042 2.801 -5.232
200 HA ALA 31 HA ALA 31 -14.230 3.310 -7.068
201 1HB ALA 31 2HB ALA 31 -13.009 1.199 -7.095
202 2HB ALA 31 1HB ALA 31 -14.713 0.924 -6.680
203 3HB ALA 31 3HB ALA 31 -13.456 0.855 -5.425
204 H ASN 32 H ASN 32 -14.213 2.219 -3.620
205 HA ASN 32 HA ASN 32 -16.202 4.098 -2.833
206 1HB ASN 32 1HB ASN 32 -17.193 1.527 -3.707
207 2HB ASN 32 2HB ASN 32 -17.385 1.577 -1.966
208 1HD2 ASN 32 1HD2 ASN 32 -17.869 3.732 -4.796
209 2HD2 ASN 32 2HD2 ASN 32 -19.439 4.327 -4.256
210 H TRP 33 H TRP 33 -13.733 3.650 -0.538
211 HA TRP 33 HA TRP 33 -14.507 5.531 -2.332
212 1HB TRP 33 1HB TRP 33 -16.265 6.611 -1.718
213 2HB TRP 33 2HB TRP 33 -16.674 5.258 -0.696
214 HD1 TRP 33 HD1 TRP 33 -16.403 5.706 1.934
215 HE1 TRP 33 HE1 TRP 33 -16.083 7.958 3.317
216 HE3 TRP 33 HE3 TRP 33 -14.442 8.381 -1.679
217 HZ2 TRP 33 HZ2 TRP 33 -15.047 10.606 2.729
218 HZ3 TRP 33 HZ3 TRP 33 -13.615 10.764 -1.348
219 HH2 TRP 33 HH2 TRP 33 -13.926 11.854 0.867
220 H ALA 34 H ALA 34 -13.934 5.644 1.156
221 HA ALA 34 HA ALA 34 -11.046 6.161 0.776
222 1HB ALA 34 1HB ALA 34 -11.084 8.027 2.368
223 2HB ALA 34 2HB ALA 34 -12.096 8.379 0.976
224 3HB ALA 34 3HB ALA 34 -12.864 7.906 2.508
225 H THR 35 H THR 35 -11.276 3.892 1.237
226 HA THR 35 HA THR 35 -11.745 1.955 2.345
227 HB THR 35 HB THR 35 -10.623 1.641 4.537
228 HG1 THR 35 HG1 THR 35 -10.837 3.886 5.222
229 1HG2 THR 35 1HG2 THR 35 -9.484 1.439 2.320
230 2HG2 THR 35 3HG2 THR 35 -8.942 3.116 2.493
231 3HG2 THR 35 2HG2 THR 35 -8.384 1.863 3.642
232 H GLY 36 H GLY 36 -14.100 3.256 2.204
233 1HA GLY 36 2HA GLY 36 -15.484 4.054 4.418
234 2HA GLY 36 1HA GLY 36 -15.462 2.309 4.668
235 H GLY 37 H GLY 37 -15.823 3.286 1.299
236 1HA GLY 37 2HA GLY 37 -17.658 3.222 -0.083
237 2HA GLY 37 1HA GLY 37 -18.658 3.547 1.322
238 H ASN 38 H ASN 38 -16.574 0.690 1.131
239 HA ASN 38 HA ASN 38 -19.013 -0.954 1.277
240 1HB ASN 38 1HB ASN 38 -18.683 -2.290 -0.596
241 2HB ASN 38 2HB ASN 38 -18.438 -0.647 -1.176
242 1HD2 ASN 38 1HD2 ASN 38 -15.836 -0.014 -1.115
243 2HD2 ASN 38 2HD2 ASN 38 -14.905 -1.308 -1.807
244 H ALA 39 H ALA 39 -15.443 -1.247 1.252
245 HA ALA 39 HA ALA 39 -13.941 -2.550 2.261
246 1HB ALA 39 1HB ALA 39 -14.825 -1.499 4.253
247 2HB ALA 39 3HB ALA 39 -14.245 -3.127 4.584
248 3HB ALA 39 2HB ALA 39 -15.995 -2.841 4.460
249 H GLY 40 H GLY 40 -16.994 -4.201 1.842
250 1HA GLY 40 2HA GLY 40 -17.493 -6.311 1.027
251 2HA GLY 40 1HA GLY 40 -16.079 -6.928 1.866
252 H TRP 41 H TRP 41 -14.659 -4.667 -0.010
253 HA TRP 41 HA TRP 41 -14.749 -5.555 -2.654
254 1HB TRP 41 1HB TRP 41 -12.931 -4.080 -2.986
255 2HB TRP 41 2HB TRP 41 -13.922 -3.369 -1.750
256 HD1 TRP 41 HD1 TRP 41 -10.719 -5.424 -2.105
257 HE1 TRP 41 HE1 TRP 41 -8.962 -4.637 -0.410
258 HE3 TRP 41 HE3 TRP 41 -13.316 -1.600 0.036
259 HZ2 TRP 41 HZ2 TRP 41 -8.784 -2.743 1.712
260 HZ3 TRP 41 HZ3 TRP 41 -12.319 -0.253 1.777
261 HH2 TRP 41 HH2 TRP 41 -10.072 -0.848 2.743
262 H ASN 42 H ASN 42 -12.351 -6.192 -0.211
263 HA ASN 42 HA ASN 42 -12.525 -9.048 -0.389
264 1HB ASN 42 1HB ASN 42 -10.232 -9.623 -1.071
265 2HB ASN 42 2HB ASN 42 -11.025 -8.716 -2.343
266 1HD2 ASN 42 1HD2 ASN 42 -9.321 -7.582 -3.372
267 2HD2 ASN 42 2HD2 ASN 42 -8.173 -6.614 -2.433
268 H LYS 43 H LYS 43 -12.343 -6.635 1.622
269 HA LYS 43 HA LYS 43 -10.223 -5.551 1.584
270 1HB LYS 43 1HB LYS 43 -10.140 -4.656 3.784
271 2HB LYS 43 2HB LYS 43 -11.814 -4.887 3.279
272 1HG LYS 43 1HG LYS 43 -11.819 -7.070 4.585
273 2HG LYS 43 2HG LYS 43 -10.180 -6.644 5.152
274 1HD LYS 43 1HD LYS 43 -11.064 -4.535 6.111
275 2HD LYS 43 2HD LYS 43 -12.703 -4.923 5.554
276 1HE LYS 43 1HE LYS 43 -11.077 -6.564 7.508
277 2HE LYS 43 2HE LYS 43 -12.266 -5.355 7.996
278 1HZ LYS 43 3HZ LYS 43 -12.880 -7.790 6.422
279 2HZ LYS 43 2HZ LYS 43 -13.222 -7.587 8.002
280 3HZ LYS 43 1HZ LYS 43 -13.970 -6.656 6.897
281 H CYS 44 H CYS 44 -8.235 -5.196 1.975
282 HA CYS 44 HA CYS 44 -6.888 -7.554 1.461
283 1HB CYS 44 1HB CYS 44 -5.523 -4.896 1.902
284 2HB CYS 44 2HB CYS 44 -4.994 -6.163 0.796
No H/Q in entry = 284
Start of MODEL 6
1 H1 LYS 1 2H LYS 1 19.274 2.610 0.892
2 H2 LYS 1 1H LYS 1 20.138 3.904 1.397
3 H3 LYS 1 3H LYS 1 19.077 3.215 2.420
4 HA LYS 1 HA LYS 1 17.213 3.872 1.026
5 1HB LYS 1 1HB LYS 1 18.071 5.297 2.889
6 2HB LYS 1 2HB LYS 1 19.000 6.250 1.709
7 1HG LYS 1 1HG LYS 1 16.873 6.875 0.584
8 2HG LYS 1 2HG LYS 1 15.966 5.910 1.765
9 1HD LYS 1 1HD LYS 1 17.702 8.326 2.418
10 2HD LYS 1 2HD LYS 1 15.959 8.361 2.137
11 1HE LYS 1 1HE LYS 1 15.601 6.813 4.032
12 2HE LYS 1 2HE LYS 1 17.344 6.844 4.388
13 1HZ LYS 1 2HZ LYS 1 15.571 9.237 4.413
14 2HZ LYS 1 1HZ LYS 1 16.095 8.464 5.745
15 3HZ LYS 1 3HZ LYS 1 17.161 9.224 4.775
16 H TYR 2 H TYR 2 16.415 4.786 -0.831
17 HA TYR 2 HA TYR 2 16.235 5.991 -2.719
18 1HB TYR 2 1HB TYR 2 19.226 6.334 -2.870
19 2HB TYR 2 2HB TYR 2 18.016 7.091 -3.890
20 HD1 TYR 2 HD1 TYR 2 20.014 7.609 -1.034
21 HD2 TYR 2 HD2 TYR 2 16.084 8.446 -2.601
22 HE1 TYR 2 HE1 TYR 2 19.756 9.480 0.581
23 HE2 TYR 2 HE2 TYR 2 15.804 10.268 -0.975
24 HH TYR 2 HH TYR 2 16.805 11.480 0.715
25 H TYR 3 H TYR 3 15.336 4.385 -3.759
26 HA TYR 3 HA TYR 3 16.960 2.636 -5.590
27 1HB TYR 3 1HB TYR 3 16.457 1.345 -3.622
28 2HB TYR 3 2HB TYR 3 14.753 1.751 -3.700
29 HD1 TYR 3 HD1 TYR 3 17.496 0.110 -5.659
30 HD2 TYR 3 HD2 TYR 3 13.272 0.381 -4.926
31 HE1 TYR 3 HE1 TYR 3 17.113 -1.737 -7.280
32 HE2 TYR 3 HE2 TYR 3 12.854 -1.461 -6.550
33 HH TYR 3 HH TYR 3 15.532 -3.098 -8.286
34 H GLY 4 H GLY 4 13.461 3.073 -4.896
35 1HA GLY 4 2HA GLY 4 13.069 4.838 -7.109
36 2HA GLY 4 1HA GLY 4 11.819 4.166 -6.037
37 H ASN 5 H ASN 5 13.003 1.478 -7.170
38 HA ASN 5 HA ASN 5 11.245 1.357 -9.604
39 1HB ASN 5 1HB ASN 5 13.709 1.122 -10.047
40 2HB ASN 5 2HB ASN 5 13.767 -0.241 -8.947
41 1HD2 ASN 5 1HD2 ASN 5 13.655 -2.189 -9.881
42 2HD2 ASN 5 2HD2 ASN 5 12.987 -2.509 -11.484
43 H GLY 6 H GLY 6 10.637 0.933 -6.616
44 1HA GLY 6 2HA GLY 6 10.360 -1.968 -6.250
45 2HA GLY 6 1HA GLY 6 8.907 -0.973 -6.067
46 H VAL 7 H VAL 7 10.132 -2.451 -3.997
47 HA VAL 7 HA VAL 7 10.038 -1.431 -1.698
48 HB VAL 7 HB VAL 7 11.019 -3.666 -2.615
49 1HG1 VAL 7 3HG1 VAL 7 13.210 -2.616 -3.165
50 2HG1 VAL 7 1HG1 VAL 7 13.477 -2.377 -1.413
51 3HG1 VAL 7 2HG1 VAL 7 13.332 -4.032 -2.101
52 1HG2 VAL 7 3HG2 VAL 7 11.561 -2.571 0.160
53 2HG2 VAL 7 1HG2 VAL 7 10.054 -3.307 -0.467
54 3HG2 VAL 7 2HG2 VAL 7 11.515 -4.288 -0.307
55 H HIS 8 H HIS 8 10.704 -0.085 -0.268
56 HA HIS 8 HA HIS 8 13.196 1.519 -0.711
57 1HB HIS 8 1HB HIS 8 10.710 2.328 0.861
58 2HB HIS 8 2HB HIS 8 12.127 3.313 0.570
59 HD1 HIS 8 HD1 HIS 8 9.229 1.720 -1.295
60 HD2 HIS 8 HD2 HIS 8 12.271 4.570 -1.799
61 HE1 HIS 8 HE1 HIS 8 8.914 2.680 -3.674
62 HE2 HIS 8 HE2 HIS 8 10.640 4.567 -3.891
63 H CYS 9 H CYS 9 14.438 2.061 1.007
64 HA CYS 9 HA CYS 9 14.273 0.520 3.542
65 1HB CYS 9 1HB CYS 9 15.620 -0.619 1.652
66 2HB CYS 9 2HB CYS 9 16.789 0.657 1.780
67 H GLY 10 H GLY 10 14.996 1.670 5.301
68 1HA GLY 10 2HA GLY 10 15.744 3.597 6.489
69 2HA GLY 10 1HA GLY 10 16.261 4.350 5.000
70 H LYS 11 H LYS 11 17.240 2.637 7.665
71 HA LYS 11 HA LYS 11 19.821 1.633 6.486
72 1HB LYS 11 1HB LYS 11 19.255 2.642 9.300
73 2HB LYS 11 2HB LYS 11 20.768 1.961 8.770
74 1HG LYS 11 1HG LYS 11 19.526 4.498 7.668
75 2HG LYS 11 2HG LYS 11 20.822 4.420 8.864
76 1HD LYS 11 1HD LYS 11 21.022 3.495 5.971
77 2HD LYS 11 2HD LYS 11 21.692 4.959 6.654
78 1HE LYS 11 1HE LYS 11 23.140 3.662 8.167
79 2HE LYS 11 2HE LYS 11 22.507 2.165 7.536
80 1HZ LYS 11 1HZ LYS 11 23.993 4.190 5.935
81 2HZ LYS 11 3HZ LYS 11 24.595 2.768 6.479
82 3HZ LYS 11 2HZ LYS 11 23.415 2.776 5.353
83 H HIS 12 H HIS 12 16.912 0.517 7.415
84 HA HIS 12 HA HIS 12 17.854 -1.361 9.482
85 1HB HIS 12 1HB HIS 12 15.995 0.402 9.764
86 2HB HIS 12 2HB HIS 12 14.928 -0.746 9.000
87 HD1 HIS 12 HD1 HIS 12 14.880 -3.276 10.418
88 HD2 HIS 12 HD2 HIS 12 16.588 0.124 12.233
89 HE1 HIS 12 HE1 HIS 12 14.947 -3.761 12.943
90 HE2 HIS 12 HE2 HIS 12 16.021 -1.702 14.046
91 H SER 13 H SER 13 15.051 -1.960 7.393
92 HA SER 13 HA SER 13 16.032 -4.784 7.052
93 1HB SER 13 1HB SER 13 13.191 -3.866 7.697
94 2HB SER 13 2HB SER 13 13.762 -5.516 7.480
95 HG SER 13 HG SER 13 13.845 -5.224 9.605
96 H CYS 14 H CYS 14 14.980 -2.176 5.219
97 HA CYS 14 HA CYS 14 14.224 -1.817 3.099
98 1HB CYS 14 1HB CYS 14 15.637 -4.421 2.492
99 2HB CYS 14 2HB CYS 14 15.350 -3.091 1.399
100 H THR 15 H THR 15 12.053 -1.761 3.055
101 HA THR 15 HA THR 15 10.636 -4.341 3.461
102 HB THR 15 HB THR 15 9.016 -2.820 4.658
103 HG1 THR 15 HG1 THR 15 9.928 -0.875 5.417
104 1HG2 THR 15 3HG2 THR 15 10.684 -4.272 5.881
105 2HG2 THR 15 2HG2 THR 15 11.834 -2.915 5.810
106 3HG2 THR 15 1HG2 THR 15 10.330 -2.780 6.745
107 H VAL 16 H VAL 16 9.894 -1.080 2.167
108 HA VAL 16 HA VAL 16 7.418 -2.272 0.988
109 HB VAL 16 HB VAL 16 7.879 -0.163 3.052
110 1HG1 VAL 16 2HG1 VAL 16 5.535 0.033 1.149
111 2HG1 VAL 16 3HG1 VAL 16 5.643 0.794 2.752
112 3HG1 VAL 16 1HG1 VAL 16 6.766 1.292 1.491
113 1HG2 VAL 16 1HG2 VAL 16 6.958 -2.491 3.491
114 2HG2 VAL 16 2HG2 VAL 16 5.916 -1.163 4.047
115 3HG2 VAL 16 3HG2 VAL 16 5.507 -2.019 2.552
116 H ASP 17 H ASP 17 6.831 -1.878 -0.833
117 HA ASP 17 HA ASP 17 6.659 0.941 -1.590
118 1HB ASP 17 1HB ASP 17 8.284 0.214 -3.252
119 2HB ASP 17 2HB ASP 17 7.279 -1.164 -3.691
120 H TRP 18 H TRP 18 5.432 -2.350 -1.736
121 HA TRP 18 HA TRP 18 2.782 -2.118 -2.373
122 1HB TRP 18 1HB TRP 18 2.540 -4.153 -1.091
123 2HB TRP 18 2HB TRP 18 4.022 -4.163 -2.052
124 HD1 TRP 18 HD1 TRP 18 6.415 -4.132 -0.702
125 HE1 TRP 18 HE1 TRP 18 7.041 -4.774 1.657
126 HE3 TRP 18 HE3 TRP 18 1.727 -4.147 1.387
127 HZ2 TRP 18 HZ2 TRP 18 5.723 -5.350 4.128
128 HZ3 TRP 18 HZ3 TRP 18 1.457 -4.759 3.787
129 HH2 TRP 18 HH2 TRP 18 3.437 -5.353 5.166
130 H GLY 19 H GLY 19 4.118 -0.403 0.200
131 1HA GLY 19 2HA GLY 19 3.157 1.168 1.549
132 2HA GLY 19 1HA GLY 19 2.024 -0.079 2.086
133 H THR 20 H THR 20 2.371 1.040 -1.233
134 HA THR 20 HA THR 20 0.109 2.831 -1.472
135 HB THR 20 HB THR 20 0.243 2.253 -3.898
136 HG1 THR 20 HG1 THR 20 2.558 0.812 -3.243
137 1HG2 THR 20 2HG2 THR 20 1.610 4.086 -2.876
138 2HG2 THR 20 1HG2 THR 20 2.959 2.928 -2.658
139 3HG2 THR 20 3HG2 THR 20 2.408 3.335 -4.280
140 H ALA 21 H ALA 21 0.357 -0.671 -1.847
141 HA ALA 21 HA ALA 21 -2.406 -1.079 -2.602
142 1HB ALA 21 3HB ALA 21 -0.566 -2.758 -2.961
143 2HB ALA 21 2HB ALA 21 -1.999 -3.406 -2.142
144 3HB ALA 21 1HB ALA 21 -0.544 -3.038 -1.212
145 H ILE 22 H ILE 22 -0.774 -1.230 0.570
146 HA ILE 22 HA ILE 22 -3.090 -1.699 2.159
147 HB ILE 22 HB ILE 22 -0.970 0.182 3.217
148 1HG1 ILE 22 1HG1 ILE 22 -0.580 -2.798 2.817
149 2HG1 ILE 22 2HG1 ILE 22 0.346 -1.500 2.083
150 1HG2 ILE 22 1HG2 ILE 22 -3.001 -0.437 4.558
151 2HG2 ILE 22 2HG2 ILE 22 -2.506 -2.143 4.466
152 3HG2 ILE 22 3HG2 ILE 22 -1.501 -0.924 5.305
153 1HD1 ILE 22 2HD1 ILE 22 1.046 -0.737 4.381
154 2HD1 ILE 22 3HD1 ILE 22 0.337 -2.238 5.026
155 3HD1 ILE 22 1HD1 ILE 22 1.677 -2.319 3.868
156 H GLY 23 H GLY 23 -1.654 1.427 1.207
157 1HA GLY 23 2HA GLY 23 -2.578 3.572 1.016
158 2HA GLY 23 1HA GLY 23 -3.627 3.119 2.371
159 H CYS 24 H CYS 24 -3.495 1.730 -0.882
160 HA CYS 24 HA CYS 24 -5.850 2.871 -1.941
161 1HB CYS 24 1HB CYS 24 -4.002 1.766 -3.184
162 2HB CYS 24 2HB CYS 24 -4.539 0.205 -2.574
163 H ILE 25 H ILE 25 -5.511 -0.373 -0.415
164 HA ILE 25 HA ILE 25 -8.268 -0.987 -0.044
165 HB ILE 25 HB ILE 25 -5.661 -1.856 1.165
166 1HG1 ILE 25 1HG1 ILE 25 -6.717 -4.117 0.803
167 2HG1 ILE 25 2HG1 ILE 25 -8.164 -3.334 0.196
168 1HG2 ILE 25 2HG2 ILE 25 -8.290 -2.343 2.620
169 2HG2 ILE 25 3HG2 ILE 25 -6.797 -3.271 2.875
170 3HG2 ILE 25 1HG2 ILE 25 -6.821 -1.568 3.282
171 1HD1 ILE 25 3HD1 ILE 25 -6.705 -2.331 -1.666
172 2HD1 ILE 25 1HD1 ILE 25 -5.339 -3.272 -1.004
173 3HD1 ILE 25 2HD1 ILE 25 -6.736 -4.110 -1.652
174 H GLY 26 H GLY 26 -6.127 0.892 2.190
175 1HA GLY 26 2HA GLY 26 -6.637 2.191 3.965
176 2HA GLY 26 1HA GLY 26 -8.030 1.154 4.215
177 H ASN 27 H ASN 27 -7.302 3.426 1.594
178 HA ASN 27 HA ASN 27 -9.101 5.533 2.302
179 1HB ASN 27 1HB ASN 27 -7.278 5.809 0.665
180 2HB ASN 27 2HB ASN 27 -7.963 4.550 -0.362
181 1HD2 ASN 27 1HD2 ASN 27 -9.405 5.149 -1.965
182 2HD2 ASN 27 2HD2 ASN 27 -10.103 6.754 -2.053
183 H ASN 28 H ASN 28 -9.514 2.776 0.043
184 HA ASN 28 HA ASN 28 -12.286 3.368 -0.460
185 1HB ASN 28 1HB ASN 28 -10.456 1.013 -1.121
186 2HB ASN 28 2HB ASN 28 -12.145 1.133 -1.599
187 1HD2 ASN 28 1HD2 ASN 28 -8.964 2.025 -2.552
188 2HD2 ASN 28 2HD2 ASN 28 -9.501 3.060 -3.884
189 H ALA 29 H ALA 29 -10.729 1.277 1.938
190 HA ALA 29 HA ALA 29 -13.058 -0.055 2.944
191 1HB ALA 29 1HB ALA 29 -10.684 1.077 4.476
192 2HB ALA 29 2HB ALA 29 -11.983 0.088 5.145
193 3HB ALA 29 3HB ALA 29 -10.906 -0.586 3.874
194 H ALA 30 H ALA 30 -11.763 3.235 3.953
195 HA ALA 30 HA ALA 30 -14.093 3.629 5.543
196 1HB ALA 30 1HB ALA 30 -11.950 4.891 5.849
197 2HB ALA 30 2HB ALA 30 -12.256 5.723 4.304
198 3HB ALA 30 3HB ALA 30 -13.326 5.990 5.701
199 H ALA 31 H ALA 31 -13.645 4.263 2.092
200 HA ALA 31 HA ALA 31 -16.147 5.643 1.672
201 1HB ALA 31 3HB ALA 31 -14.656 3.839 -0.251
202 2HB ALA 31 2HB ALA 31 -14.326 5.582 0.016
203 3HB ALA 31 1HB ALA 31 -15.876 5.048 -0.633
204 H ASN 32 H ASN 32 -15.343 2.165 1.574
205 HA ASN 32 HA ASN 32 -17.968 1.107 1.040
206 1HB ASN 32 1HB ASN 32 -15.362 0.030 2.187
207 2HB ASN 32 2HB ASN 32 -16.834 -0.934 2.199
208 1HD2 ASN 32 1HD2 ASN 32 -16.332 1.107 -0.706
209 2HD2 ASN 32 2HD2 ASN 32 -15.968 -0.360 -1.629
210 H TRP 33 H TRP 33 -16.260 1.577 4.054
211 HA TRP 33 HA TRP 33 -17.938 0.647 6.168
212 1HB TRP 33 1HB TRP 33 -18.383 -1.187 4.490
213 2HB TRP 33 2HB TRP 33 -16.638 -1.336 4.293
214 HD1 TRP 33 HD1 TRP 33 -17.368 -3.948 4.651
215 HE1 TRP 33 HE1 TRP 33 -17.613 -5.380 6.789
216 HE3 TRP 33 HE3 TRP 33 -17.109 -0.274 8.132
217 HZ2 TRP 33 HZ2 TRP 33 -17.907 -4.967 9.611
218 HZ3 TRP 33 HZ3 TRP 33 -17.365 -0.794 10.566
219 HH2 TRP 33 HH2 TRP 33 -17.824 -3.121 11.311
220 H ALA 34 H ALA 34 -15.576 -1.496 6.017
221 HA ALA 34 HA ALA 34 -13.138 -0.069 6.993
222 1HB ALA 34 1HB ALA 34 -14.538 -0.689 8.932
223 2HB ALA 34 3HB ALA 34 -13.084 -1.698 8.850
224 3HB ALA 34 2HB ALA 34 -14.626 -2.364 8.304
225 H THR 35 H THR 35 -14.229 -1.740 4.635
226 HA THR 35 HA THR 35 -13.037 -2.879 2.935
227 HB THR 35 HB THR 35 -11.971 -5.101 3.336
228 HG1 THR 35 HG1 THR 35 -11.797 -4.101 5.940
229 1HG2 THR 35 1HG2 THR 35 -10.725 -3.002 2.754
230 2HG2 THR 35 3HG2 THR 35 -10.425 -2.755 4.504
231 3HG2 THR 35 2HG2 THR 35 -9.794 -4.179 3.695
232 H GLY 36 H GLY 36 -14.944 -3.281 2.005
233 1HA GLY 36 2HA GLY 36 -16.257 -5.881 2.796
234 2HA GLY 36 1HA GLY 36 -15.588 -5.567 1.205
235 H GLY 37 H GLY 37 -17.331 -2.896 2.635
236 1HA GLY 37 2HA GLY 37 -19.228 -1.792 1.855
237 2HA GLY 37 1HA GLY 37 -20.009 -3.381 1.980
238 H ASN 38 H ASN 38 -17.492 -2.355 -0.342
239 HA ASN 38 HA ASN 38 -18.848 -3.677 -2.496
240 1HB ASN 38 1HB ASN 38 -20.065 -1.522 -2.671
241 2HB ASN 38 2HB ASN 38 -18.533 -0.636 -2.646
242 1HD2 ASN 38 1HD2 ASN 38 -20.038 -3.366 -4.505
243 2HD2 ASN 38 2HD2 ASN 38 -19.517 -2.734 -6.055
244 H ALA 39 H ALA 39 -17.046 -4.903 -2.752
245 HA ALA 39 HA ALA 39 -14.334 -3.941 -2.888
246 1HB ALA 39 1HB ALA 39 -15.476 -6.486 -4.091
247 2HB ALA 39 2HB ALA 39 -13.769 -6.169 -3.634
248 3HB ALA 39 3HB ALA 39 -15.009 -6.284 -2.389
249 H GLY 40 H GLY 40 -16.836 -3.844 -5.266
250 1HA GLY 40 2HA GLY 40 -17.025 -2.693 -7.228
251 2HA GLY 40 1HA GLY 40 -15.403 -3.276 -7.659
252 H TRP 41 H TRP 41 -14.896 -1.651 -4.809
253 HA TRP 41 HA TRP 41 -14.917 1.079 -5.285
254 1HB TRP 41 1HB TRP 41 -13.368 1.214 -3.523
255 2HB TRP 41 2HB TRP 41 -14.358 -0.156 -3.183
256 HD1 TRP 41 HD1 TRP 41 -10.896 0.476 -4.761
257 HE1 TRP 41 HE1 TRP 41 -9.166 -0.973 -3.631
258 HE3 TRP 41 HE3 TRP 41 -13.901 -2.018 -1.448
259 HZ2 TRP 41 HZ2 TRP 41 -9.060 -3.107 -1.758
260 HZ3 TRP 41 HZ3 TRP 41 -12.859 -3.561 0.178
261 HH2 TRP 41 HH2 TRP 41 -10.493 -4.195 -0.006
262 H ASN 42 H ASN 42 -12.608 -1.180 -6.089
263 HA ASN 42 HA ASN 42 -11.714 -0.965 -8.570
264 1HB ASN 42 1HB ASN 42 -9.820 0.570 -8.806
265 2HB ASN 42 2HB ASN 42 -11.239 1.467 -8.411
266 1HD2 ASN 42 1HD2 ASN 42 -8.467 -0.068 -6.744
267 2HD2 ASN 42 2HD2 ASN 42 -8.227 1.223 -5.569
268 H LYS 43 H LYS 43 -11.762 -2.749 -6.280
269 HA LYS 43 HA LYS 43 -9.894 -3.221 -4.595
270 1HB LYS 43 1HB LYS 43 -10.141 -5.577 -4.668
271 2HB LYS 43 2HB LYS 43 -11.666 -4.742 -4.771
272 1HG LYS 43 1HG LYS 43 -11.642 -5.064 -7.275
273 2HG LYS 43 2HG LYS 43 -10.150 -5.979 -7.117
274 1HD LYS 43 1HD LYS 43 -11.334 -7.615 -5.626
275 2HD LYS 43 2HD LYS 43 -12.811 -6.619 -5.748
276 1HE LYS 43 1HE LYS 43 -12.897 -7.015 -8.167
277 2HE LYS 43 2HE LYS 43 -11.396 -7.934 -8.101
278 1HZ LYS 43 2HZ LYS 43 -13.918 -8.708 -6.689
279 2HZ LYS 43 1HZ LYS 43 -13.411 -9.368 -8.083
280 3HZ LYS 43 3HZ LYS 43 -12.547 -9.578 -6.716
281 H CYS 44 H CYS 44 -7.906 -3.022 -4.332
282 HA CYS 44 HA CYS 44 -6.512 -2.514 -6.669
283 1HB CYS 44 1HB CYS 44 -5.217 -2.480 -3.911
284 2HB CYS 44 2HB CYS 44 -4.875 -1.456 -5.304
No H/Q in entry = 284
Start of MODEL 7
1 H1 LYS 1 3H LYS 1 -12.058 2.339 8.538
2 H2 LYS 1 2H LYS 1 -12.544 1.369 9.757
3 H3 LYS 1 1H LYS 1 -10.966 1.324 9.230
4 HA LYS 1 HA LYS 1 -11.667 0.550 7.090
5 1HB LYS 1 1HB LYS 1 -12.142 -1.740 7.672
6 2HB LYS 1 2HB LYS 1 -10.960 -1.067 8.770
7 1HG LYS 1 1HG LYS 1 -12.593 -0.886 10.567
8 2HG LYS 1 2HG LYS 1 -13.902 -1.264 9.457
9 1HD LYS 1 1HD LYS 1 -13.480 -3.215 10.771
10 2HD LYS 1 2HD LYS 1 -13.022 -3.546 9.113
11 1HE LYS 1 1HE LYS 1 -11.425 -4.572 10.513
12 2HE LYS 1 2HE LYS 1 -10.609 -3.236 9.728
13 1HZ LYS 1 1HZ LYS 1 -11.684 -3.169 12.483
14 2HZ LYS 1 3HZ LYS 1 -10.088 -3.309 12.105
15 3HZ LYS 1 2HZ LYS 1 -10.881 -1.941 11.770
16 H TYR 2 H TYR 2 -13.691 -1.144 6.387
17 HA TYR 2 HA TYR 2 -15.749 -1.376 5.561
18 1HB TYR 2 1HB TYR 2 -16.833 0.683 7.473
19 2HB TYR 2 2HB TYR 2 -17.701 -0.597 6.668
20 HD1 TYR 2 HD1 TYR 2 -16.388 -3.090 7.182
21 HD2 TYR 2 HD2 TYR 2 -16.668 0.365 9.747
22 HE1 TYR 2 HE1 TYR 2 -16.190 -4.548 9.174
23 HE2 TYR 2 HE2 TYR 2 -16.501 -1.114 11.758
24 HH TYR 2 HH TYR 2 -16.256 -4.664 11.453
25 H TYR 3 H TYR 3 -13.968 0.897 4.767
26 HA TYR 3 HA TYR 3 -15.576 2.855 3.354
27 1HB TYR 3 1HB TYR 3 -13.282 3.400 3.804
28 2HB TYR 3 2HB TYR 3 -12.713 1.867 3.174
29 HD1 TYR 3 HD1 TYR 3 -12.319 1.499 0.802
30 HD2 TYR 3 HD2 TYR 3 -14.044 5.186 2.217
31 HE1 TYR 3 HE1 TYR 3 -12.030 2.508 -1.438
32 HE2 TYR 3 HE2 TYR 3 -13.718 6.199 -0.039
33 HH TYR 3 HH TYR 3 -13.062 5.832 -2.185
34 H GLY 4 H GLY 4 -13.961 -0.145 2.342
35 1HA GLY 4 2HA GLY 4 -16.061 -1.398 1.168
36 2HA GLY 4 1HA GLY 4 -14.385 -1.744 0.808
37 H ASN 5 H ASN 5 -13.420 -0.880 -1.043
38 HA ASN 5 HA ASN 5 -15.371 -0.689 -3.277
39 1HB ASN 5 1HB ASN 5 -14.353 1.535 -3.086
40 2HB ASN 5 2HB ASN 5 -12.742 0.825 -3.109
41 1HD2 ASN 5 1HD2 ASN 5 -15.772 1.009 -5.130
42 2HD2 ASN 5 2HD2 ASN 5 -14.874 0.888 -6.621
43 H GLY 6 H GLY 6 -11.963 -1.036 -3.194
44 1HA GLY 6 2HA GLY 6 -10.851 -3.118 -4.299
45 2HA GLY 6 1HA GLY 6 -12.119 -4.023 -3.471
46 H VAL 7 H VAL 7 -9.956 -1.273 -2.559
47 HA VAL 7 HA VAL 7 -8.665 -2.318 -0.331
48 HB VAL 7 HB VAL 7 -8.531 -0.125 -1.863
49 1HG1 VAL 7 3HG1 VAL 7 -10.570 0.809 -0.872
50 2HG1 VAL 7 1HG1 VAL 7 -9.729 0.946 0.686
51 3HG1 VAL 7 2HG1 VAL 7 -9.140 1.866 -0.726
52 1HG2 VAL 7 2HG2 VAL 7 -7.546 -0.485 0.959
53 2HG2 VAL 7 3HG2 VAL 7 -6.798 -1.006 -0.589
54 3HG2 VAL 7 1HG2 VAL 7 -6.917 0.724 -0.215
55 H HIS 8 H HIS 8 -8.802 -1.753 1.825
56 HA HIS 8 HA HIS 8 -9.729 -1.946 3.866
57 1HB HIS 8 1HB HIS 8 -10.702 0.763 2.934
58 2HB HIS 8 2HB HIS 8 -10.423 0.292 4.602
59 HD1 HIS 8 HD1 HIS 8 -7.548 -0.981 4.452
60 HD2 HIS 8 HD2 HIS 8 -8.821 2.512 2.455
61 HE1 HIS 8 HE1 HIS 8 -5.439 0.378 3.928
62 HE2 HIS 8 HE2 HIS 8 -6.233 2.506 2.730
63 H CYS 9 H CYS 9 -11.170 -3.731 3.669
64 HA CYS 9 HA CYS 9 -13.988 -2.923 3.705
65 1HB CYS 9 1HB CYS 9 -12.926 -5.333 2.623
66 2HB CYS 9 2HB CYS 9 -14.300 -5.591 3.675
67 H GLY 10 H GLY 10 -12.436 -5.795 5.023
68 1HA GLY 10 2HA GLY 10 -13.913 -5.464 7.577
69 2HA GLY 10 1HA GLY 10 -12.200 -5.953 7.635
70 H LYS 11 H LYS 11 -14.819 -7.367 8.304
71 HA LYS 11 HA LYS 11 -14.229 -10.025 7.427
72 1HB LYS 11 1HB LYS 11 -15.578 -9.271 9.462
73 2HB LYS 11 2HB LYS 11 -16.915 -8.932 8.380
74 1HG LYS 11 1HG LYS 11 -16.956 -11.321 7.664
75 2HG LYS 11 2HG LYS 11 -15.628 -11.651 8.820
76 1HD LYS 11 1HD LYS 11 -18.389 -10.564 9.531
77 2HD LYS 11 2HD LYS 11 -17.915 -12.259 9.617
78 1HE LYS 11 1HE LYS 11 -16.181 -11.719 11.314
79 2HE LYS 11 2HE LYS 11 -16.624 -10.019 11.222
80 1HZ LYS 11 1HZ LYS 11 -18.853 -10.610 11.996
81 2HZ LYS 11 3HZ LYS 11 -18.438 -12.182 12.075
82 3HZ LYS 11 2HZ LYS 11 -17.717 -11.114 13.074
83 H HIS 12 H HIS 12 -15.927 -7.571 5.803
84 HA HIS 12 HA HIS 12 -17.311 -9.103 3.802
85 1HB HIS 12 1HB HIS 12 -17.034 -6.377 4.522
86 2HB HIS 12 2HB HIS 12 -16.377 -6.489 2.920
87 HD1 HIS 12 HD1 HIS 12 -18.239 -6.658 0.984
88 HD2 HIS 12 HD2 HIS 12 -19.571 -7.402 4.924
89 HE1 HIS 12 HE1 HIS 12 -20.803 -6.890 0.848
90 HE2 HIS 12 HE2 HIS 12 -21.608 -7.358 3.237
91 H SER 13 H SER 13 -14.044 -8.733 4.168
92 HA SER 13 HA SER 13 -12.292 -9.709 3.159
93 1HB SER 13 1HB SER 13 -14.164 -10.872 1.089
94 2HB SER 13 2HB SER 13 -12.537 -11.415 1.465
95 HG SER 13 HG SER 13 -13.266 -11.925 3.593
96 H CYS 14 H CYS 14 -13.622 -7.121 1.717
97 HA CYS 14 HA CYS 14 -12.073 -6.979 -0.718
98 1HB CYS 14 1HB CYS 14 -12.693 -4.320 0.393
99 2HB CYS 14 2HB CYS 14 -13.011 -5.001 -1.131
100 H THR 15 H THR 15 -11.476 -4.772 1.876
101 HA THR 15 HA THR 15 -9.593 -3.964 2.929
102 HB THR 15 HB THR 15 -8.841 -6.866 2.961
103 HG1 THR 15 HG1 THR 15 -10.288 -6.953 4.648
104 1HG2 THR 15 3HG2 THR 15 -7.196 -5.297 4.123
105 2HG2 THR 15 2HG2 THR 15 -8.566 -4.646 5.028
106 3HG2 THR 15 1HG2 THR 15 -8.097 -6.337 5.265
107 H VAL 16 H VAL 16 -8.126 -6.231 0.552
108 HA VAL 16 HA VAL 16 -5.954 -4.232 0.133
109 HB VAL 16 HB VAL 16 -5.614 -7.264 0.307
110 1HG1 VAL 16 3HG1 VAL 16 -3.988 -6.201 -1.342
111 2HG1 VAL 16 1HG1 VAL 16 -3.507 -5.081 -0.039
112 3HG1 VAL 16 2HG1 VAL 16 -3.187 -6.814 0.110
113 1HG2 VAL 16 2HG2 VAL 16 -4.558 -5.010 2.079
114 2HG2 VAL 16 3HG2 VAL 16 -5.797 -6.216 2.543
115 3HG2 VAL 16 1HG2 VAL 16 -4.141 -6.709 2.251
116 H ASP 17 H ASP 17 -7.263 -3.410 -1.484
117 HA ASP 17 HA ASP 17 -6.479 -4.482 -4.130
118 1HB ASP 17 1HB ASP 17 -8.354 -2.883 -3.953
119 2HB ASP 17 2HB ASP 17 -7.257 -1.691 -3.221
120 H TRP 18 H TRP 18 -5.263 -2.639 -1.405
121 HA TRP 18 HA TRP 18 -3.093 -1.347 -2.717
122 1HB TRP 18 1HB TRP 18 -2.566 -0.436 -0.635
123 2HB TRP 18 2HB TRP 18 -4.296 -0.421 -0.808
124 HD1 TRP 18 HD1 TRP 18 -5.688 -2.104 0.897
125 HE1 TRP 18 HE1 TRP 18 -5.137 -2.760 3.306
126 HE3 TRP 18 HE3 TRP 18 -0.646 -1.230 0.836
127 HZ2 TRP 18 HZ2 TRP 18 -2.824 -2.837 5.008
128 HZ3 TRP 18 HZ3 TRP 18 0.682 -1.438 2.908
129 HH2 TRP 18 HH2 TRP 18 -0.389 -2.251 5.003
130 H GLY 19 H GLY 19 -3.087 -4.525 -2.438
131 1HA GLY 19 2HA GLY 19 -1.333 -6.151 -2.304
132 2HA GLY 19 1HA GLY 19 -0.477 -5.055 -1.206
133 H THR 20 H THR 20 -1.497 -3.903 -4.375
134 HA THR 20 HA THR 20 1.084 -4.119 -5.613
135 HB THR 20 HB THR 20 -1.022 -1.976 -6.198
136 HG1 THR 20 HG1 THR 20 -1.834 -3.490 -7.670
137 1HG2 THR 20 2HG2 THR 20 1.102 -3.307 -7.937
138 2HG2 THR 20 1HG2 THR 20 -0.133 -2.169 -8.507
139 3HG2 THR 20 3HG2 THR 20 1.114 -1.618 -7.391
140 H ALA 21 H ALA 21 -0.297 -1.792 -3.321
141 HA ALA 21 HA ALA 21 1.827 0.164 -3.532
142 1HB ALA 21 3HB ALA 21 0.035 -0.325 -1.115
143 2HB ALA 21 2HB ALA 21 -0.483 0.582 -2.557
144 3HB ALA 21 1HB ALA 21 0.889 1.154 -1.586
145 H ILE 22 H ILE 22 1.269 -2.670 -1.371
146 HA ILE 22 HA ILE 22 3.750 -2.562 0.011
147 HB ILE 22 HB ILE 22 1.959 -4.866 -0.785
148 1HG1 ILE 22 1HG1 ILE 22 1.180 -3.087 0.876
149 2HG1 ILE 22 2HG1 ILE 22 0.994 -4.770 1.284
150 1HG2 ILE 22 2HG2 ILE 22 4.440 -5.122 0.928
151 2HG2 ILE 22 3HG2 ILE 22 3.108 -6.294 0.865
152 3HG2 ILE 22 1HG2 ILE 22 4.065 -5.956 -0.587
153 1HD1 ILE 22 3HD1 ILE 22 3.317 -2.989 2.245
154 2HD1 ILE 22 1HD1 ILE 22 1.885 -3.402 3.228
155 3HD1 ILE 22 2HD1 ILE 22 2.994 -4.662 2.762
156 H GLY 23 H GLY 23 3.047 -4.132 -3.127
157 1HA GLY 23 2HA GLY 23 4.462 -4.800 -4.856
158 2HA GLY 23 1HA GLY 23 5.675 -5.190 -3.601
159 H CYS 24 H CYS 24 4.194 -2.146 -4.661
160 HA CYS 24 HA CYS 24 6.316 -0.871 -5.955
161 1HB CYS 24 1HB CYS 24 3.977 -0.181 -5.935
162 2HB CYS 24 2HB CYS 24 4.062 0.210 -4.222
163 H ILE 25 H ILE 25 5.375 -0.166 -2.555
164 HA ILE 25 HA ILE 25 7.745 1.204 -1.780
165 HB ILE 25 HB ILE 25 5.517 -0.135 -0.261
166 1HG1 ILE 25 1HG1 ILE 25 5.360 2.128 0.763
167 2HG1 ILE 25 2HG1 ILE 25 6.819 2.604 -0.090
168 1HG2 ILE 25 2HG2 ILE 25 8.118 0.772 1.072
169 2HG2 ILE 25 3HG2 ILE 25 6.596 0.497 1.934
170 3HG2 ILE 25 1HG2 ILE 25 7.389 -0.847 1.152
171 1HD1 ILE 25 1HD1 ILE 25 4.151 1.847 -1.406
172 2HD1 ILE 25 2HD1 ILE 25 4.737 3.508 -1.092
173 3HD1 ILE 25 3HD1 ILE 25 5.586 2.468 -2.246
174 H GLY 26 H GLY 26 7.066 -2.328 -1.440
175 1HA GLY 26 2HA GLY 26 8.481 -4.099 -1.109
176 2HA GLY 26 1HA GLY 26 9.258 -3.037 0.074
177 H ASN 27 H ASN 27 9.101 -3.076 -3.527
178 HA ASN 27 HA ASN 27 11.840 -3.800 -3.925
179 1HB ASN 27 1HB ASN 27 10.014 -4.164 -5.528
180 2HB ASN 27 2HB ASN 27 9.789 -2.449 -5.750
181 1HD2 ASN 27 1HD2 ASN 27 12.080 -5.187 -6.359
182 2HD2 ASN 27 2HD2 ASN 27 12.918 -4.286 -7.608
183 H ASN 28 H ASN 28 10.185 -0.595 -4.175
184 HA ASN 28 HA ASN 28 12.600 0.772 -4.963
185 1HB ASN 28 1HB ASN 28 9.888 1.813 -4.101
186 2HB ASN 28 2HB ASN 28 11.257 2.788 -4.667
187 1HD2 ASN 28 1HD2 ASN 28 8.688 0.691 -5.689
188 2HD2 ASN 28 2HD2 ASN 28 9.074 0.793 -7.416
189 H ALA 29 H ALA 29 10.938 0.565 -1.739
190 HA ALA 29 HA ALA 29 12.899 2.234 -0.452
191 1HB ALA 29 2HB ALA 29 10.805 1.702 0.694
192 2HB ALA 29 1HB ALA 29 12.266 1.208 1.579
193 3HB ALA 29 3HB ALA 29 11.287 -0.031 0.749
194 H ALA 30 H ALA 30 12.847 -1.358 -1.108
195 HA ALA 30 HA ALA 30 15.261 -1.772 0.371
196 1HB ALA 30 3HB ALA 30 14.207 -3.297 -2.057
197 2HB ALA 30 1HB ALA 30 15.500 -3.871 -0.994
198 3HB ALA 30 2HB ALA 30 13.859 -3.632 -0.339
199 H ALA 31 H ALA 31 14.853 -0.421 -2.880
200 HA ALA 31 HA ALA 31 17.719 -0.144 -3.329
201 1HB ALA 31 3HB ALA 31 16.046 -0.247 -5.159
202 2HB ALA 31 1HB ALA 31 15.380 1.311 -4.646
203 3HB ALA 31 2HB ALA 31 17.055 1.206 -5.246
204 H ASN 32 H ASN 32 15.421 1.757 -1.504
205 HA ASN 32 HA ASN 32 17.362 4.024 -1.218
206 1HB ASN 32 1HB ASN 32 14.352 3.897 -0.953
207 2HB ASN 32 2HB ASN 32 15.307 5.305 -0.477
208 1HD2 ASN 32 1HD2 ASN 32 14.264 3.418 -3.313
209 2HD2 ASN 32 2HD2 ASN 32 14.729 4.706 -4.440
210 H TRP 33 H TRP 33 16.581 1.444 0.615
211 HA TRP 33 HA TRP 33 17.729 1.641 3.037
212 1HB TRP 33 1HB TRP 33 16.815 3.748 3.594
213 2HB TRP 33 2HB TRP 33 15.232 3.301 2.963
214 HD1 TRP 33 HD1 TRP 33 14.167 4.342 5.059
215 HE1 TRP 33 HE1 TRP 33 13.813 3.515 7.482
216 HE3 TRP 33 HE3 TRP 33 17.159 0.282 4.949
217 HZ2 TRP 33 HZ2 TRP 33 14.816 1.451 9.171
218 HZ3 TRP 33 HZ3 TRP 33 17.540 -1.107 6.998
219 HH2 TRP 33 HH2 TRP 33 16.361 -0.536 9.114
220 H ALA 34 H ALA 34 14.412 1.430 3.465
221 HA ALA 34 HA ALA 34 13.709 -1.319 2.849
222 1HB ALA 34 3HB ALA 34 15.145 -1.617 4.894
223 2HB ALA 34 2HB ALA 34 13.436 -1.979 5.218
224 3HB ALA 34 1HB ALA 34 14.113 -0.455 5.780
225 H THR 35 H THR 35 13.070 1.615 4.838
226 HA THR 35 HA THR 35 10.807 2.134 3.006
227 HB THR 35 HB THR 35 9.431 3.139 4.877
228 HG1 THR 35 HG1 THR 35 9.790 2.270 6.958
229 1HG2 THR 35 2HG2 THR 35 8.897 0.906 3.825
230 2HG2 THR 35 1HG2 THR 35 9.711 0.136 5.195
231 3HG2 THR 35 3HG2 THR 35 8.272 1.129 5.472
232 H GLY 36 H GLY 36 12.999 3.178 2.207
233 1HA GLY 36 2HA GLY 36 11.736 5.671 2.029
234 2HA GLY 36 1HA GLY 36 13.141 5.108 1.174
235 H GLY 37 H GLY 37 15.232 5.275 2.230
236 1HA GLY 37 2HA GLY 37 16.810 6.962 2.382
237 2HA GLY 37 1HA GLY 37 15.811 7.811 3.575
238 H ASN 38 H ASN 38 13.937 7.057 0.886
239 HA ASN 38 HA ASN 38 13.508 9.801 0.256
240 1HB ASN 38 1HB ASN 38 15.499 9.320 -1.251
241 2HB ASN 38 2HB ASN 38 14.578 8.009 -1.971
242 1HD2 ASN 38 1HD2 ASN 38 14.459 8.832 -4.038
243 2HD2 ASN 38 2HD2 ASN 38 13.651 10.347 -4.431
244 H ALA 39 H ALA 39 11.652 9.911 -1.411
245 HA ALA 39 HA ALA 39 9.979 7.427 -1.503
246 1HB ALA 39 1HB ALA 39 9.290 8.924 0.403
247 2HB ALA 39 2HB ALA 39 8.975 10.216 -0.779
248 3HB ALA 39 3HB ALA 39 8.024 8.711 -0.797
249 H GLY 40 H GLY 40 11.344 9.920 -3.277
250 1HA GLY 40 2HA GLY 40 11.081 10.797 -5.357
251 2HA GLY 40 1HA GLY 40 9.372 10.360 -5.293
252 H TRP 41 H TRP 41 10.461 7.474 -4.817
253 HA TRP 41 HA TRP 41 11.726 6.451 -7.134
254 1HB TRP 41 1HB TRP 41 10.676 4.289 -6.458
255 2HB TRP 41 2HB TRP 41 11.584 5.078 -5.219
256 HD1 TRP 41 HD1 TRP 41 7.880 4.382 -6.098
257 HE1 TRP 41 HE1 TRP 41 6.594 4.073 -3.929
258 HE3 TRP 41 HE3 TRP 41 11.666 5.045 -2.803
259 HZ2 TRP 41 HZ2 TRP 41 7.039 4.443 -1.114
260 HZ3 TRP 41 HZ3 TRP 41 11.309 4.657 -0.416
261 HH2 TRP 41 HH2 TRP 41 8.970 4.481 0.504
262 H ASN 42 H ASN 42 8.377 6.308 -6.409
263 HA ASN 42 HA ASN 42 7.605 7.935 -8.602
264 1HB ASN 42 1HB ASN 42 6.148 6.593 -9.871
265 2HB ASN 42 2HB ASN 42 7.641 5.693 -9.788
266 1HD2 ASN 42 1HD2 ASN 42 7.629 3.805 -8.122
267 2HD2 ASN 42 2HD2 ASN 42 6.036 3.161 -7.669
268 H LYS 43 H LYS 43 7.449 7.673 -5.522
269 HA LYS 43 HA LYS 43 6.222 7.050 -3.781
270 1HB LYS 43 1HB LYS 43 3.991 8.449 -5.341
271 2HB LYS 43 2HB LYS 43 3.767 7.834 -3.735
272 1HG LYS 43 1HG LYS 43 5.814 9.934 -4.517
273 2HG LYS 43 2HG LYS 43 4.200 10.173 -3.797
274 1HD LYS 43 1HD LYS 43 6.412 8.570 -2.402
275 2HD LYS 43 2HD LYS 43 6.146 10.312 -2.148
276 1HE LYS 43 1HE LYS 43 3.819 9.854 -1.433
277 2HE LYS 43 2HE LYS 43 4.072 8.137 -1.644
278 1HZ LYS 43 1HZ LYS 43 5.559 9.827 0.261
279 2HZ LYS 43 3HZ LYS 43 4.357 8.795 0.647
280 3HZ LYS 43 2HZ LYS 43 5.773 8.215 0.061
281 H CYS 44 H CYS 44 4.349 5.818 -2.933
282 HA CYS 44 HA CYS 44 2.489 5.506 -4.826
283 1HB CYS 44 1HB CYS 44 3.278 2.897 -3.392
284 2HB CYS 44 2HB CYS 44 1.655 3.157 -4.010
No H/Q in entry = 284
Start of MODEL 8
1 H1 LYS 1 1H LYS 1 18.023 -9.485 -0.449
2 H2 LYS 1 3H LYS 1 17.234 -8.093 -0.741
3 H3 LYS 1 2H LYS 1 18.600 -8.084 0.174
4 HA LYS 1 HA LYS 1 17.554 -9.406 1.869
5 1HB LYS 1 1HB LYS 1 17.299 -6.686 1.544
6 2HB LYS 1 2HB LYS 1 15.638 -7.110 1.538
7 1HG LYS 1 1HG LYS 1 16.287 -6.527 3.762
8 2HG LYS 1 2HG LYS 1 15.933 -8.242 3.789
9 1HD LYS 1 1HD LYS 1 18.333 -8.783 3.850
10 2HD LYS 1 2HD LYS 1 18.747 -7.100 3.543
11 1HE LYS 1 1HE LYS 1 19.099 -7.373 5.849
12 2HE LYS 1 2HE LYS 1 17.556 -6.510 5.715
13 1HZ LYS 1 2HZ LYS 1 16.427 -8.615 6.077
14 2HZ LYS 1 1HZ LYS 1 17.868 -9.417 6.229
15 3HZ LYS 1 3HZ LYS 1 17.410 -8.322 7.322
16 H TYR 2 H TYR 2 14.709 -8.952 2.476
17 HA TYR 2 HA TYR 2 13.430 -10.970 0.688
18 1HB TYR 2 1HB TYR 2 13.435 -11.033 3.718
19 2HB TYR 2 2HB TYR 2 12.829 -12.266 2.628
20 HD1 TYR 2 HD1 TYR 2 14.438 -13.627 1.182
21 HD2 TYR 2 HD2 TYR 2 15.770 -11.027 4.358
22 HE1 TYR 2 HE1 TYR 2 16.635 -14.744 1.175
23 HE2 TYR 2 HE2 TYR 2 18.009 -12.114 4.314
24 HH TYR 2 HH TYR 2 18.729 -14.813 2.050
25 H TYR 3 H TYR 3 12.979 -7.931 1.519
26 HA TYR 3 HA TYR 3 10.395 -7.878 2.803
27 1HB TYR 3 1HB TYR 3 10.604 -5.394 2.356
28 2HB TYR 3 2HB TYR 3 11.718 -6.225 3.449
29 HD1 TYR 3 HD1 TYR 3 13.783 -5.191 3.362
30 HD2 TYR 3 HD2 TYR 3 11.625 -5.929 -0.221
31 HE1 TYR 3 HE1 TYR 3 15.726 -4.295 2.060
32 HE2 TYR 3 HE2 TYR 3 13.567 -5.088 -1.591
33 HH TYR 3 HH TYR 3 16.554 -3.848 -0.076
34 H GLY 4 H GLY 4 10.960 -8.541 -0.419
35 1HA GLY 4 2HA GLY 4 8.211 -7.815 -1.277
36 2HA GLY 4 1HA GLY 4 9.370 -8.773 -2.207
37 H ASN 5 H ASN 5 10.627 -7.775 -3.688
38 HA ASN 5 HA ASN 5 11.958 -5.371 -3.311
39 1HB ASN 5 1HB ASN 5 12.974 -5.868 -5.470
40 2HB ASN 5 2HB ASN 5 12.736 -7.366 -4.606
41 1HD2 ASN 5 1HD2 ASN 5 11.633 -5.418 -7.370
42 2HD2 ASN 5 2HD2 ASN 5 10.775 -6.761 -8.120
43 H GLY 6 H GLY 6 8.859 -4.979 -3.882
44 1HA GLY 6 2HA GLY 6 7.589 -3.186 -4.760
45 2HA GLY 6 1HA GLY 6 8.982 -2.645 -5.707
46 H VAL 7 H VAL 7 8.704 -3.409 -2.131
47 HA VAL 7 HA VAL 7 9.493 -0.835 -1.188
48 HB VAL 7 HB VAL 7 9.057 -3.685 -0.209
49 1HG1 VAL 7 1HG1 VAL 7 10.331 -1.504 1.442
50 2HG1 VAL 7 2HG1 VAL 7 9.590 -3.032 2.053
51 3HG1 VAL 7 3HG1 VAL 7 11.002 -3.115 0.997
52 1HG2 VAL 7 1HG2 VAL 7 7.944 -0.966 0.520
53 2HG2 VAL 7 2HG2 VAL 7 7.118 -2.265 -0.388
54 3HG2 VAL 7 3HG2 VAL 7 7.498 -2.481 1.329
55 H HIS 8 H HIS 8 11.486 -0.345 -0.460
56 HA HIS 8 HA HIS 8 13.646 -2.364 -0.569
57 1HB HIS 8 1HB HIS 8 14.302 0.436 -1.418
58 2HB HIS 8 2HB HIS 8 15.242 -1.043 -1.671
59 HD1 HIS 8 HD1 HIS 8 12.368 1.010 -3.011
60 HD2 HIS 8 HD2 HIS 8 14.263 -2.669 -3.781
61 HE1 HIS 8 HE1 HIS 8 11.366 0.126 -5.201
62 HE2 HIS 8 HE2 HIS 8 12.545 -2.097 -5.662
63 H CYS 9 H CYS 9 14.040 -2.575 1.634
64 HA CYS 9 HA CYS 9 14.317 -0.150 3.341
65 1HB CYS 9 1HB CYS 9 14.655 -3.107 3.981
66 2HB CYS 9 2HB CYS 9 14.847 -1.807 5.127
67 H GLY 10 H GLY 10 16.377 0.084 4.560
68 1HA GLY 10 2HA GLY 10 18.535 0.394 2.709
69 2HA GLY 10 1HA GLY 10 18.932 -0.883 3.897
70 H LYS 11 H LYS 11 20.396 1.452 3.715
71 HA LYS 11 HA LYS 11 19.983 2.922 6.226
72 1HB LYS 11 1HB LYS 11 21.995 3.315 3.979
73 2HB LYS 11 2HB LYS 11 22.017 4.180 5.523
74 1HG LYS 11 1HG LYS 11 22.335 1.993 6.709
75 2HG LYS 11 2HG LYS 11 22.386 1.162 5.152
76 1HD LYS 11 1HD LYS 11 24.628 1.502 5.871
77 2HD LYS 11 2HD LYS 11 24.382 2.562 4.495
78 1HE LYS 11 1HE LYS 11 24.097 4.491 6.012
79 2HE LYS 11 2HE LYS 11 24.256 3.426 7.416
80 1HZ LYS 11 2HZ LYS 11 26.388 3.881 5.392
81 2HZ LYS 11 1HZ LYS 11 26.346 4.525 6.899
82 3HZ LYS 11 3HZ LYS 11 26.544 2.921 6.666
83 H HIS 12 H HIS 12 17.790 3.062 4.769
84 HA HIS 12 HA HIS 12 17.482 5.968 4.322
85 1HB HIS 12 1HB HIS 12 16.419 3.769 2.503
86 2HB HIS 12 2HB HIS 12 16.012 5.492 2.391
87 HD1 HIS 12 HD1 HIS 12 18.222 7.151 1.817
88 HD2 HIS 12 HD2 HIS 12 18.623 2.974 1.303
89 HE1 HIS 12 HE1 HIS 12 20.331 6.783 0.402
90 HE2 HIS 12 HE2 HIS 12 20.565 4.231 0.087
91 H SER 13 H SER 13 14.635 4.405 3.634
92 HA SER 13 HA SER 13 13.608 4.752 6.441
93 1HB SER 13 1HB SER 13 12.383 5.913 3.918
94 2HB SER 13 2HB SER 13 11.790 6.086 5.574
95 HG SER 13 HG SER 13 13.751 7.183 6.096
96 H CYS 14 H CYS 14 13.722 2.497 4.007
97 HA CYS 14 HA CYS 14 12.522 0.722 3.261
98 1HB CYS 14 1HB CYS 14 10.595 1.200 5.539
99 2HB CYS 14 2HB CYS 14 10.454 -0.036 4.340
100 H THR 15 H THR 15 12.391 1.816 1.415
101 HA THR 15 HA THR 15 10.490 3.894 0.875
102 HB THR 15 HB THR 15 11.241 3.681 -1.409
103 HG1 THR 15 HG1 THR 15 12.844 1.518 -0.554
104 1HG2 THR 15 1HG2 THR 15 12.736 4.929 0.089
105 2HG2 THR 15 3HG2 THR 15 13.633 3.410 0.450
106 3HG2 THR 15 2HG2 THR 15 13.630 4.108 -1.178
107 H VAL 16 H VAL 16 9.083 3.652 -1.222
108 HA VAL 16 HA VAL 16 7.085 1.773 -0.236
109 HB VAL 16 HB VAL 16 7.013 4.430 -1.724
110 1HG1 VAL 16 1HG1 VAL 16 4.654 2.601 -1.249
111 2HG1 VAL 16 2HG1 VAL 16 4.497 4.366 -1.409
112 3HG1 VAL 16 3HG1 VAL 16 5.147 3.419 -2.739
113 1HG2 VAL 16 2HG2 VAL 16 7.403 4.357 0.737
114 2HG2 VAL 16 3HG2 VAL 16 5.876 5.157 0.330
115 3HG2 VAL 16 1HG2 VAL 16 5.850 3.503 0.932
116 H ASP 17 H ASP 17 6.951 -0.080 -1.117
117 HA ASP 17 HA ASP 17 5.009 0.408 -3.316
118 1HB ASP 17 1HB ASP 17 6.307 -1.736 -3.641
119 2HB ASP 17 2HB ASP 17 5.665 -2.289 -2.094
120 H TRP 18 H TRP 18 5.612 -0.191 0.108
121 HA TRP 18 HA TRP 18 3.079 -0.980 0.982
122 1HB TRP 18 1HB TRP 18 3.832 -0.415 3.184
123 2HB TRP 18 2HB TRP 18 5.164 -1.089 2.276
124 HD1 TRP 18 HD1 TRP 18 7.341 0.476 1.952
125 HE1 TRP 18 HE1 TRP 18 8.096 2.621 3.079
126 HE3 TRP 18 HE3 TRP 18 2.880 1.959 4.088
127 HZ2 TRP 18 HZ2 TRP 18 6.966 4.778 4.532
128 HZ3 TRP 18 HZ3 TRP 18 2.782 4.114 5.277
129 HH2 TRP 18 HH2 TRP 18 4.784 5.533 5.518
130 H GLY 19 H GLY 19 4.226 2.379 0.711
131 1HA GLY 19 2HA GLY 19 3.007 4.435 0.862
132 2HA GLY 19 1HA GLY 19 1.806 3.549 1.717
133 H THR 20 H THR 20 2.514 2.239 -1.421
134 HA THR 20 HA THR 20 0.352 3.670 -2.840
135 HB THR 20 HB THR 20 1.719 1.035 -3.630
136 HG1 THR 20 HG1 THR 20 2.385 3.654 -4.456
137 1HG2 THR 20 3HG2 THR 20 0.288 3.147 -5.316
138 2HG2 THR 20 2HG2 THR 20 1.093 1.687 -5.925
139 3HG2 THR 20 1HG2 THR 20 -0.342 1.544 -4.906
140 H ALA 21 H ALA 21 0.807 0.534 -1.198
141 HA ALA 21 HA ALA 21 -1.805 -0.496 -1.676
142 1HB ALA 21 3HB ALA 21 0.117 -1.845 -0.892
143 2HB ALA 21 2HB ALA 21 -1.281 -2.046 0.175
144 3HB ALA 21 1HB ALA 21 0.088 -1.014 0.669
145 H ILE 22 H ILE 22 -0.606 1.314 1.257
146 HA ILE 22 HA ILE 22 -3.287 1.596 2.305
147 HB ILE 22 HB ILE 22 -2.316 3.390 3.741
148 1HG1 ILE 22 1HG1 ILE 22 0.443 2.510 2.974
149 2HG1 ILE 22 2HG1 ILE 22 -0.328 3.833 2.127
150 1HG2 ILE 22 1HG2 ILE 22 -2.585 1.041 4.482
151 2HG2 ILE 22 2HG2 ILE 22 -0.985 0.648 3.818
152 3HG2 ILE 22 3HG2 ILE 22 -1.144 1.751 5.194
153 1HD1 ILE 22 2HD1 ILE 22 -0.682 5.009 4.313
154 2HD1 ILE 22 3HD1 ILE 22 0.217 3.701 5.119
155 3HD1 ILE 22 1HD1 ILE 22 1.011 4.738 3.907
156 H GLY 23 H GLY 23 -1.389 3.515 0.016
157 1HA GLY 23 2HA GLY 23 -2.067 5.164 -1.456
158 2HA GLY 23 1HA GLY 23 -2.967 5.875 -0.111
159 H CYS 24 H CYS 24 -3.296 2.882 -2.034
160 HA CYS 24 HA CYS 24 -5.835 3.407 -3.221
161 1HB CYS 24 1HB CYS 24 -4.696 0.689 -2.377
162 2HB CYS 24 2HB CYS 24 -6.101 0.990 -3.430
163 H ILE 25 H ILE 25 -5.397 1.222 -0.400
164 HA ILE 25 HA ILE 25 -8.124 0.920 0.176
165 HB ILE 25 HB ILE 25 -5.640 0.527 1.835
166 1HG1 ILE 25 1HG1 ILE 25 -6.553 -1.796 1.937
167 2HG1 ILE 25 2HG1 ILE 25 -7.908 -1.296 0.915
168 1HG2 ILE 25 2HG2 ILE 25 -8.475 0.328 2.902
169 2HG2 ILE 25 3HG2 ILE 25 -7.080 -0.437 3.675
170 3HG2 ILE 25 1HG2 ILE 25 -7.133 1.310 3.559
171 1HD1 ILE 25 2HD1 ILE 25 -4.933 -1.312 0.133
172 2HD1 ILE 25 3HD1 ILE 25 -6.130 -2.530 -0.299
173 3HD1 ILE 25 1HD1 ILE 25 -6.310 -0.885 -0.938
174 H GLY 26 H GLY 26 -5.952 3.500 1.473
175 1HA GLY 26 2HA GLY 26 -6.425 5.470 2.476
176 2HA GLY 26 1HA GLY 26 -7.778 4.669 3.277
177 H ASN 27 H ASN 27 -7.006 5.754 -0.067
178 HA ASN 27 HA ASN 27 -9.072 7.744 -0.211
179 1HB ASN 27 1HB ASN 27 -7.041 7.801 -1.564
180 2HB ASN 27 2HB ASN 27 -7.445 6.261 -2.316
181 1HD2 ASN 27 1HD2 ASN 27 -8.497 6.422 -4.335
182 2HD2 ASN 27 2HD2 ASN 27 -9.365 7.880 -4.827
183 H ASN 28 H ASN 28 -8.908 4.452 -1.569
184 HA ASN 28 HA ASN 28 -11.457 4.516 -2.869
185 1HB ASN 28 1HB ASN 28 -9.715 2.175 -1.996
186 2HB ASN 28 2HB ASN 28 -11.186 2.021 -2.928
187 1HD2 ASN 28 1HD2 ASN 28 -11.193 3.621 -5.039
188 2HD2 ASN 28 2HD2 ASN 28 -9.714 3.331 -5.939
189 H ALA 29 H ALA 29 -10.529 3.236 0.430
190 HA ALA 29 HA ALA 29 -13.255 2.498 1.032
191 1HB ALA 29 2HB ALA 29 -11.110 3.185 3.064
192 2HB ALA 29 3HB ALA 29 -12.727 2.481 3.291
193 3HB ALA 29 1HB ALA 29 -11.486 1.561 2.399
194 H ALA 30 H ALA 30 -11.459 5.598 1.561
195 HA ALA 30 HA ALA 30 -13.559 6.728 3.065
196 1HB ALA 30 2HB ALA 30 -11.301 7.754 2.912
197 2HB ALA 30 3HB ALA 30 -11.607 8.175 1.207
198 3HB ALA 30 1HB ALA 30 -12.555 8.935 2.508
199 H ALA 31 H ALA 31 -13.368 6.284 -0.408
200 HA ALA 31 HA ALA 31 -15.800 7.789 -1.027
201 1HB ALA 31 3HB ALA 31 -14.439 5.538 -2.567
202 2HB ALA 31 2HB ALA 31 -14.070 7.276 -2.702
203 3HB ALA 31 1HB ALA 31 -15.662 6.677 -3.182
204 H ASN 32 H ASN 32 -15.129 4.373 -0.282
205 HA ASN 32 HA ASN 32 -17.849 3.392 -0.719
206 1HB ASN 32 1HB ASN 32 -15.305 2.197 0.358
207 2HB ASN 32 2HB ASN 32 -16.856 1.365 0.496
208 1HD2 ASN 32 1HD2 ASN 32 -14.437 2.479 -1.810
209 2HD2 ASN 32 2HD2 ASN 32 -15.134 1.591 -3.169
210 H TRP 33 H TRP 33 -16.082 4.364 2.128
211 HA TRP 33 HA TRP 33 -18.061 4.164 4.214
212 1HB TRP 33 1HB TRP 33 -18.161 1.872 3.418
213 2HB TRP 33 2HB TRP 33 -16.407 1.783 3.387
214 HD1 TRP 33 HD1 TRP 33 -16.910 -0.535 4.720
215 HE1 TRP 33 HE1 TRP 33 -17.183 -1.047 7.187
216 HE3 TRP 33 HE3 TRP 33 -17.518 4.177 6.426
217 HZ2 TRP 33 HZ2 TRP 33 -17.620 0.392 9.637
218 HZ3 TRP 33 HZ3 TRP 33 -17.887 4.644 8.856
219 HH2 TRP 33 HH2 TRP 33 -17.948 2.734 10.472
220 H ALA 34 H ALA 34 -15.365 2.439 4.960
221 HA ALA 34 HA ALA 34 -13.403 4.482 5.786
222 1HB ALA 34 2HB ALA 34 -15.068 4.471 7.605
223 2HB ALA 34 3HB ALA 34 -14.934 2.697 7.710
224 3HB ALA 34 1HB ALA 34 -13.548 3.737 8.132
225 H THR 35 H THR 35 -14.448 1.050 5.974
226 HA THR 35 HA THR 35 -12.382 0.380 4.016
227 HB THR 35 HB THR 35 -11.874 -1.824 5.163
228 HG1 THR 35 HG1 THR 35 -13.470 -1.684 6.777
229 1HG2 THR 35 1HG2 THR 35 -10.207 -0.015 5.073
230 2HG2 THR 35 3HG2 THR 35 -10.719 0.514 6.696
231 3HG2 THR 35 2HG2 THR 35 -10.037 -1.093 6.483
232 H GLY 36 H GLY 36 -14.360 0.632 2.720
233 1HA GLY 36 2HA GLY 36 -14.282 -2.103 1.976
234 2HA GLY 36 1HA GLY 36 -14.955 -0.783 1.036
235 H GLY 37 H GLY 37 -17.139 0.025 2.041
236 1HA GLY 37 2HA GLY 37 -19.365 -0.514 1.488
237 2HA GLY 37 1HA GLY 37 -19.130 -2.083 2.273
238 H ASN 38 H ASN 38 -16.675 -1.613 0.003
239 HA ASN 38 HA ASN 38 -17.667 -3.856 -1.517
240 1HB ASN 38 1HB ASN 38 -18.554 -1.793 -2.777
241 2HB ASN 38 2HB ASN 38 -16.903 -1.321 -3.043
242 1HD2 ASN 38 1HD2 ASN 38 -17.311 -1.400 -5.367
243 2HD2 ASN 38 2HD2 ASN 38 -17.423 -2.968 -6.152
244 H ALA 39 H ALA 39 -15.870 -4.430 -3.203
245 HA ALA 39 HA ALA 39 -13.106 -3.620 -2.359
246 1HB ALA 39 1HB ALA 39 -13.939 -6.472 -2.988
247 2HB ALA 39 2HB ALA 39 -12.310 -5.890 -2.535
248 3HB ALA 39 3HB ALA 39 -13.629 -5.796 -1.364
249 H GLY 40 H GLY 40 -15.296 -4.432 -4.987
250 1HA GLY 40 2HA GLY 40 -15.172 -4.108 -7.253
251 2HA GLY 40 1HA GLY 40 -13.435 -4.387 -7.185
252 H TRP 41 H TRP 41 -13.285 -2.039 -5.151
253 HA TRP 41 HA TRP 41 -13.727 0.420 -6.553
254 1HB TRP 41 1HB TRP 41 -12.191 1.342 -4.946
255 2HB TRP 41 2HB TRP 41 -13.291 0.250 -4.157
256 HD1 TRP 41 HD1 TRP 41 -9.585 0.188 -5.375
257 HE1 TRP 41 HE1 TRP 41 -8.138 -0.722 -3.514
258 HE3 TRP 41 HE3 TRP 41 -13.223 -0.975 -1.958
259 HZ2 TRP 41 HZ2 TRP 41 -8.464 -2.106 -1.045
260 HZ3 TRP 41 HZ3 TRP 41 -12.571 -1.814 0.251
261 HH2 TRP 41 HH2 TRP 41 -10.224 -2.508 0.720
262 H ASN 42 H ASN 42 -11.154 -1.716 -6.328
263 HA ASN 42 HA ASN 42 -9.966 -2.176 -8.656
264 1HB ASN 42 1HB ASN 42 -8.151 -0.603 -9.116
265 2HB ASN 42 2HB ASN 42 -9.706 0.136 -9.285
266 1HD2 ASN 42 1HD2 ASN 42 -7.149 -0.279 -6.777
267 2HD2 ASN 42 2HD2 ASN 42 -7.343 1.352 -6.134
268 H LYS 43 H LYS 43 -10.224 -3.006 -5.747
269 HA LYS 43 HA LYS 43 -8.450 -3.063 -3.922
270 1HB LYS 43 1HB LYS 43 -8.594 -5.503 -3.660
271 2HB LYS 43 2HB LYS 43 -10.119 -4.627 -3.819
272 1HG LYS 43 1HG LYS 43 -10.171 -5.334 -6.253
273 2HG LYS 43 2HG LYS 43 -8.712 -6.304 -5.934
274 1HD LYS 43 1HD LYS 43 -10.073 -7.484 -4.111
275 2HD LYS 43 2HD LYS 43 -11.480 -6.551 -4.619
276 1HE LYS 43 1HE LYS 43 -11.670 -8.697 -5.643
277 2HE LYS 43 2HE LYS 43 -11.325 -7.499 -6.886
278 1HZ LYS 43 1HZ LYS 43 -9.285 -9.287 -5.674
279 2HZ LYS 43 3HZ LYS 43 -9.976 -9.535 -7.140
280 3HZ LYS 43 2HZ LYS 43 -9.017 -8.240 -6.879
281 H CYS 44 H CYS 44 -6.491 -2.328 -4.087
282 HA CYS 44 HA CYS 44 -4.916 -3.026 -6.215
283 1HB CYS 44 1HB CYS 44 -4.198 -1.583 -3.622
284 2HB CYS 44 2HB CYS 44 -3.032 -1.786 -4.908
No H/Q in entry = 284
Start of MODEL 9
1 H1 LYS 1 1H LYS 1 18.102 4.839 3.378
2 H2 LYS 1 3H LYS 1 18.516 3.884 4.625
3 H3 LYS 1 2H LYS 1 18.450 3.265 3.097
4 HA LYS 1 HA LYS 1 16.088 3.616 2.997
5 1HB LYS 1 1HB LYS 1 15.416 1.911 4.767
6 2HB LYS 1 2HB LYS 1 16.542 1.457 3.499
7 1HG LYS 1 1HG LYS 1 17.164 0.444 5.595
8 2HG LYS 1 2HG LYS 1 18.426 1.490 5.030
9 1HD LYS 1 1HD LYS 1 17.766 3.195 6.746
10 2HD LYS 1 2HD LYS 1 16.427 2.108 7.250
11 1HE LYS 1 1HE LYS 1 18.052 0.381 7.859
12 2HE LYS 1 2HE LYS 1 19.389 1.372 7.265
13 1HZ LYS 1 3HZ LYS 1 17.623 2.095 9.545
14 2HZ LYS 1 2HZ LYS 1 19.140 1.567 9.674
15 3HZ LYS 1 1HZ LYS 1 18.861 3.013 8.976
16 H TYR 2 H TYR 2 16.182 6.008 3.548
17 HA TYR 2 HA TYR 2 14.660 6.555 6.094
18 1HB TYR 2 1HB TYR 2 16.924 8.222 4.917
19 2HB TYR 2 2HB TYR 2 16.053 8.546 6.390
20 HD1 TYR 2 HD1 TYR 2 18.984 7.108 5.053
21 HD2 TYR 2 HD2 TYR 2 16.039 6.494 8.167
22 HE1 TYR 2 HE1 TYR 2 20.611 5.742 6.318
23 HE2 TYR 2 HE2 TYR 2 17.712 5.160 9.457
24 HH TYR 2 HH TYR 2 21.012 4.589 8.252
25 H TYR 3 H TYR 3 13.947 6.401 3.105
26 HA TYR 3 HA TYR 3 13.224 8.801 1.887
27 1HB TYR 3 1HB TYR 3 13.062 6.787 0.693
28 2HB TYR 3 2HB TYR 3 12.050 6.024 1.926
29 HD1 TYR 3 HD1 TYR 3 11.993 8.587 -0.795
30 HD2 TYR 3 HD2 TYR 3 9.732 6.144 1.919
31 HE1 TYR 3 HE1 TYR 3 9.878 9.192 -1.994
32 HE2 TYR 3 HE2 TYR 3 7.633 6.781 0.806
33 HH TYR 3 HH TYR 3 7.623 8.987 -2.029
34 H GLY 4 H GLY 4 10.994 6.962 4.023
35 1HA GLY 4 2HA GLY 4 9.073 9.260 4.117
36 2HA GLY 4 1HA GLY 4 9.759 8.704 5.615
37 H ASN 5 H ASN 5 7.300 8.475 5.851
38 HA ASN 5 HA ASN 5 5.586 7.198 6.529
39 1HB ASN 5 1HB ASN 5 4.985 7.241 4.200
40 2HB ASN 5 2HB ASN 5 6.048 5.897 3.800
41 1HD2 ASN 5 1HD2 ASN 5 3.076 6.780 5.649
42 2HD2 ASN 5 2HD2 ASN 5 2.457 5.124 5.597
43 H GLY 6 H GLY 6 8.400 5.468 5.868
44 1HA GLY 6 2HA GLY 6 7.741 3.179 7.717
45 2HA GLY 6 1HA GLY 6 9.318 3.917 7.686
46 H VAL 7 H VAL 7 8.458 4.062 4.476
47 HA VAL 7 HA VAL 7 8.856 1.354 3.570
48 HB VAL 7 HB VAL 7 8.315 4.051 2.447
49 1HG1 VAL 7 3HG1 VAL 7 10.201 2.290 0.838
50 2HG1 VAL 7 1HG1 VAL 7 9.371 3.753 0.263
51 3HG1 VAL 7 2HG1 VAL 7 10.593 3.885 1.531
52 1HG2 VAL 7 3HG2 VAL 7 6.846 2.062 2.332
53 2HG2 VAL 7 1HG2 VAL 7 7.225 2.736 0.732
54 3HG2 VAL 7 2HG2 VAL 7 8.067 1.266 1.291
55 H HIS 8 H HIS 8 10.574 0.470 2.623
56 HA HIS 8 HA HIS 8 13.274 1.594 3.094
57 1HB HIS 8 1HB HIS 8 13.825 -0.798 3.964
58 2HB HIS 8 2HB HIS 8 13.235 0.448 5.056
59 HD1 HIS 8 HD1 HIS 8 10.475 0.228 5.682
60 HD2 HIS 8 HD2 HIS 8 12.482 -3.059 3.930
61 HE1 HIS 8 HE1 HIS 8 9.002 -1.784 6.073
62 HE2 HIS 8 HE2 HIS 8 10.221 -3.808 5.081
63 H CYS 9 H CYS 9 14.125 1.653 1.151
64 HA CYS 9 HA CYS 9 13.809 -0.518 -0.814
65 1HB CYS 9 1HB CYS 9 15.281 2.111 -0.786
66 2HB CYS 9 2HB CYS 9 15.564 0.913 -2.034
67 H GLY 10 H GLY 10 15.692 -1.518 -1.761
68 1HA GLY 10 2HA GLY 10 16.719 -3.440 -0.412
69 2HA GLY 10 1HA GLY 10 17.910 -2.214 0.091
70 H LYS 11 H LYS 11 17.551 -1.128 -2.816
71 HA LYS 11 HA LYS 11 18.129 -1.506 -5.017
72 1HB LYS 11 1HB LYS 11 20.513 -2.833 -3.661
73 2HB LYS 11 2HB LYS 11 20.443 -2.388 -5.363
74 1HG LYS 11 1HG LYS 11 20.109 0.013 -4.753
75 2HG LYS 11 2HG LYS 11 20.250 -0.415 -3.055
76 1HD LYS 11 1HD LYS 11 22.346 0.474 -3.803
77 2HD LYS 11 2HD LYS 11 22.544 -1.215 -3.386
78 1HE LYS 11 1HE LYS 11 23.822 -0.826 -5.348
79 2HE LYS 11 2HE LYS 11 22.414 -1.763 -5.863
80 1HZ LYS 11 1HZ LYS 11 22.691 1.178 -6.146
81 2HZ LYS 11 3HZ LYS 11 22.926 0.108 -7.336
82 3HZ LYS 11 2HZ LYS 11 21.434 0.268 -6.716
83 H HIS 12 H HIS 12 16.388 -3.417 -3.835
84 HA HIS 12 HA HIS 12 16.579 -5.442 -6.017
85 1HB HIS 12 1HB HIS 12 15.724 -5.745 -3.146
86 2HB HIS 12 2HB HIS 12 14.961 -6.710 -4.381
87 HD1 HIS 12 HD1 HIS 12 16.606 -8.460 -5.749
88 HD2 HIS 12 HD2 HIS 12 18.249 -6.347 -2.483
89 HE1 HIS 12 HE1 HIS 12 18.805 -9.674 -5.106
90 HE2 HIS 12 HE2 HIS 12 19.778 -8.373 -3.104
91 H SER 13 H SER 13 13.773 -4.834 -4.040
92 HA SER 13 HA SER 13 12.336 -3.529 -6.342
93 1HB SER 13 1HB SER 13 11.304 -5.737 -4.535
94 2HB SER 13 2HB SER 13 10.370 -4.905 -5.801
95 HG SER 13 HG SER 13 11.190 -6.797 -6.648
96 H CYS 14 H CYS 14 13.051 -3.354 -3.023
97 HA CYS 14 HA CYS 14 12.503 -2.103 -1.308
98 1HB CYS 14 1HB CYS 14 10.621 -0.436 -2.998
99 2HB CYS 14 2HB CYS 14 11.382 0.015 -1.503
100 H THR 15 H THR 15 10.881 -1.675 0.264
101 HA THR 15 HA THR 15 8.459 -3.413 0.075
102 HB THR 15 HB THR 15 10.360 -3.416 2.403
103 HG1 THR 15 HG1 THR 15 11.251 -5.345 1.587
104 1HG2 THR 15 3HG2 THR 15 8.347 -5.472 1.440
105 2HG2 THR 15 2HG2 THR 15 9.389 -5.678 2.858
106 3HG2 THR 15 1HG2 THR 15 8.198 -4.402 2.865
107 H VAL 16 H VAL 16 6.887 -2.974 1.497
108 HA VAL 16 HA VAL 16 6.653 -0.197 2.330
109 HB VAL 16 HB VAL 16 4.420 -2.067 3.060
110 1HG1 VAL 16 1HG1 VAL 16 4.293 0.432 3.137
111 2HG1 VAL 16 2HG1 VAL 16 4.598 0.462 1.396
112 3HG1 VAL 16 3HG1 VAL 16 3.116 -0.283 2.049
113 1HG2 VAL 16 1HG2 VAL 16 5.089 -1.648 0.133
114 2HG2 VAL 16 2HG2 VAL 16 5.019 -3.217 0.992
115 3HG2 VAL 16 3HG2 VAL 16 3.557 -2.242 0.780
116 H ASP 17 H ASP 17 5.757 0.446 4.351
117 HA ASP 17 HA ASP 17 6.795 -0.624 6.869
118 1HB ASP 17 1HB ASP 17 6.456 1.834 6.438
119 2HB ASP 17 2HB ASP 17 4.733 1.472 6.185
120 H TRP 18 H TRP 18 3.886 -0.517 5.054
121 HA TRP 18 HA TRP 18 2.360 -2.034 4.607
122 1HB TRP 18 1HB TRP 18 3.389 -3.513 6.985
123 2HB TRP 18 2HB TRP 18 1.707 -3.785 6.516
124 HD1 TRP 18 HD1 TRP 18 5.170 -3.684 4.945
125 HE1 TRP 18 HE1 TRP 18 5.160 -5.224 2.822
126 HE3 TRP 18 HE3 TRP 18 0.222 -4.389 4.630
127 HZ2 TRP 18 HZ2 TRP 18 3.131 -6.398 1.121
128 HZ3 TRP 18 HZ3 TRP 18 -0.809 -5.433 2.606
129 HH2 TRP 18 HH2 TRP 18 0.648 -6.492 0.873
130 H GLY 19 H GLY 19 1.836 -0.908 7.981
131 1HA GLY 19 2HA GLY 19 -0.280 -0.310 8.950
132 2HA GLY 19 1HA GLY 19 -0.900 -1.482 7.763
133 H THR 20 H THR 20 0.731 1.419 6.670
134 HA THR 20 HA THR 20 -1.533 3.052 6.007
135 HB THR 20 HB THR 20 1.045 2.855 4.411
136 HG1 THR 20 HG1 THR 20 0.421 4.418 6.694
137 1HG2 THR 20 2HG2 THR 20 -0.924 5.147 4.799
138 2HG2 THR 20 1HG2 THR 20 0.626 5.237 3.952
139 3HG2 THR 20 3HG2 THR 20 -0.678 4.234 3.287
140 H ALA 21 H ALA 21 -0.092 0.304 4.191
141 HA ALA 21 HA ALA 21 -1.751 0.686 1.830
142 1HB ALA 21 2HB ALA 21 -0.877 -1.475 1.153
143 2HB ALA 21 1HB ALA 21 -0.291 -1.818 2.793
144 3HB ALA 21 3HB ALA 21 0.432 -0.502 1.835
145 H ILE 22 H ILE 22 -2.014 -1.348 4.742
146 HA ILE 22 HA ILE 22 -4.521 -2.580 4.110
147 HB ILE 22 HB ILE 22 -3.643 -1.905 6.957
148 1HG1 ILE 22 1HG1 ILE 22 -2.618 -4.028 5.050
149 2HG1 ILE 22 2HG1 ILE 22 -1.710 -2.863 5.972
150 1HG2 ILE 22 2HG2 ILE 22 -5.941 -2.748 6.682
151 2HG2 ILE 22 3HG2 ILE 22 -5.308 -4.150 5.764
152 3HG2 ILE 22 1HG2 ILE 22 -4.928 -3.947 7.472
153 1HD1 ILE 22 2HD1 ILE 22 -2.373 -4.053 8.111
154 2HD1 ILE 22 3HD1 ILE 22 -3.035 -5.346 7.076
155 3HD1 ILE 22 1HD1 ILE 22 -1.312 -4.937 7.013
156 H GLY 23 H GLY 23 -3.814 0.435 5.810
157 1HA GLY 23 2HA GLY 23 -5.031 2.423 6.024
158 2HA GLY 23 1HA GLY 23 -6.458 1.422 6.288
159 H CYS 24 H CYS 24 -4.330 2.204 3.567
160 HA CYS 24 HA CYS 24 -5.989 3.622 1.870
161 1HB CYS 24 1HB CYS 24 -3.710 3.562 1.448
162 2HB CYS 24 2HB CYS 24 -3.612 1.814 1.471
163 H ILE 25 H ILE 25 -5.466 0.069 1.657
164 HA ILE 25 HA ILE 25 -7.536 -0.651 -0.119
165 HB ILE 25 HB ILE 25 -6.239 -2.182 2.135
166 1HG1 ILE 25 1HG1 ILE 25 -6.043 -2.736 -0.841
167 2HG1 ILE 25 2HG1 ILE 25 -5.067 -1.454 -0.121
168 1HG2 ILE 25 3HG2 ILE 25 -8.228 -3.208 0.068
169 2HG2 ILE 25 1HG2 ILE 25 -7.219 -4.252 1.098
170 3HG2 ILE 25 2HG2 ILE 25 -8.414 -3.239 1.849
171 1HD1 ILE 25 3HD1 ILE 25 -4.118 -3.170 1.474
172 2HD1 ILE 25 1HD1 ILE 25 -5.013 -4.420 0.578
173 3HD1 ILE 25 2HD1 ILE 25 -3.747 -3.475 -0.242
174 H GLY 26 H GLY 26 -7.749 -0.839 3.481
175 1HA GLY 26 2HA GLY 26 -9.578 -1.018 4.872
176 2HA GLY 26 1HA GLY 26 -10.384 -1.802 3.511
177 H ASN 27 H ASN 27 -9.323 1.581 3.797
178 HA ASN 27 HA ASN 27 -11.905 2.750 4.259
179 1HB ASN 27 1HB ASN 27 -9.821 3.896 4.737
180 2HB ASN 27 2HB ASN 27 -9.375 3.911 3.018
181 1HD2 ASN 27 1HD2 ASN 27 -9.983 5.738 1.862
182 2HD2 ASN 27 2HD2 ASN 27 -11.184 6.877 2.431
183 H ASN 28 H ASN 28 -9.990 2.391 1.215
184 HA ASN 28 HA ASN 28 -12.173 3.509 -0.385
185 1HB ASN 28 1HB ASN 28 -9.562 2.172 -1.040
186 2HB ASN 28 2HB ASN 28 -10.674 2.772 -2.275
187 1HD2 ASN 28 1HD2 ASN 28 -8.018 3.583 -0.429
188 2HD2 ASN 28 2HD2 ASN 28 -8.137 5.338 -0.649
189 H ALA 29 H ALA 29 -11.244 0.163 0.427
190 HA ALA 29 HA ALA 29 -12.969 -1.208 -1.365
191 1HB ALA 29 2HB ALA 29 -11.616 -2.628 0.081
192 2HB ALA 29 1HB ALA 29 -13.308 -2.815 0.551
193 3HB ALA 29 3HB ALA 29 -12.225 -1.815 1.544
194 H ALA 30 H ALA 30 -13.702 -0.204 2.010
195 HA ALA 30 HA ALA 30 -16.434 -0.741 1.785
196 1HB ALA 30 2HB ALA 30 -15.046 1.240 3.641
197 2HB ALA 30 3HB ALA 30 -16.667 0.513 3.903
198 3HB ALA 30 1HB ALA 30 -15.224 -0.501 3.914
199 H ALA 31 H ALA 31 -14.792 2.159 0.734
200 HA ALA 31 HA ALA 31 -17.129 3.764 0.184
201 1HB ALA 31 2HB ALA 31 -14.739 4.588 0.246
202 2HB ALA 31 1HB ALA 31 -15.652 5.045 -1.228
203 3HB ALA 31 3HB ALA 31 -14.449 3.757 -1.266
204 H ASN 32 H ASN 32 -15.462 1.303 -1.814
205 HA ASN 32 HA ASN 32 -17.367 1.665 -4.065
206 1HB ASN 32 1HB ASN 32 -14.893 -0.029 -3.632
207 2HB ASN 32 2HB ASN 32 -15.870 -0.070 -5.124
208 1HD2 ASN 32 1HD2 ASN 32 -16.409 2.462 -5.835
209 2HD2 ASN 32 2HD2 ASN 32 -14.894 3.327 -6.067
210 H TRP 33 H TRP 33 -16.706 -0.710 -1.624
211 HA TRP 33 HA TRP 33 -18.776 -2.638 -2.026
212 1HB TRP 33 1HB TRP 33 -17.591 -2.742 -4.245
213 2HB TRP 33 2HB TRP 33 -16.071 -2.975 -3.404
214 HD1 TRP 33 HD1 TRP 33 -15.853 -4.983 -5.132
215 HE1 TRP 33 HE1 TRP 33 -16.676 -7.443 -5.087
216 HE3 TRP 33 HE3 TRP 33 -18.763 -4.774 -1.004
217 HZ2 TRP 33 HZ2 TRP 33 -18.563 -8.999 -3.584
218 HZ3 TRP 33 HZ3 TRP 33 -20.102 -6.766 -0.252
219 HH2 TRP 33 HH2 TRP 33 -19.991 -8.867 -1.525
220 H ALA 34 H ALA 34 -16.160 -4.437 -1.857
221 HA ALA 34 HA ALA 34 -15.394 -4.260 0.993
222 1HB ALA 34 2HB ALA 34 -17.166 -5.955 0.672
223 2HB ALA 34 1HB ALA 34 -15.608 -6.776 0.996
224 3HB ALA 34 3HB ALA 34 -16.256 -6.690 -0.650
225 H THR 35 H THR 35 -14.556 -4.984 -2.376
226 HA THR 35 HA THR 35 -11.973 -3.873 -1.737
227 HB THR 35 HB THR 35 -10.785 -5.532 -3.334
228 HG1 THR 35 HG1 THR 35 -12.846 -7.164 -2.308
229 1HG2 THR 35 1HG2 THR 35 -10.286 -5.187 -0.888
230 2HG2 THR 35 3HG2 THR 35 -11.321 -6.615 -0.575
231 3HG2 THR 35 2HG2 THR 35 -9.838 -6.741 -1.564
232 H GLY 36 H GLY 36 -13.601 -2.183 -2.849
233 1HA GLY 36 2HA GLY 36 -11.675 -1.774 -4.910
234 2HA GLY 36 1HA GLY 36 -12.831 -0.582 -4.370
235 H GLY 37 H GLY 37 -14.896 -2.962 -5.301
236 1HA GLY 37 2HA GLY 37 -15.290 -2.131 -8.056
237 2HA GLY 37 1HA GLY 37 -15.988 -3.541 -7.290
238 H ASN 38 H ASN 38 -12.980 -4.051 -6.596
239 HA ASN 38 HA ASN 38 -11.884 -6.014 -7.083
240 1HB ASN 38 1HB ASN 38 -11.274 -6.851 -9.101
241 2HB ASN 38 2HB ASN 38 -12.891 -6.246 -9.454
242 1HD2 ASN 38 1HD2 ASN 38 -12.896 -4.021 -10.571
243 2HD2 ASN 38 2HD2 ASN 38 -11.575 -3.664 -11.674
244 H ALA 39 H ALA 39 -11.178 -2.770 -8.118
245 HA ALA 39 HA ALA 39 -8.448 -2.950 -6.977
246 1HB ALA 39 1HB ALA 39 -9.046 -2.369 -9.921
247 2HB ALA 39 2HB ALA 39 -7.425 -2.297 -9.183
248 3HB ALA 39 3HB ALA 39 -8.245 -3.844 -9.311
249 H GLY 40 H GLY 40 -11.098 -0.976 -7.384
250 1HA GLY 40 2HA GLY 40 -11.623 1.201 -7.578
251 2HA GLY 40 1HA GLY 40 -10.243 1.301 -8.671
252 H TRP 41 H TRP 41 -9.060 0.622 -5.539
253 HA TRP 41 HA TRP 41 -9.238 3.279 -4.431
254 1HB TRP 41 1HB TRP 41 -7.767 2.427 -2.694
255 2HB TRP 41 2HB TRP 41 -9.146 1.385 -3.019
256 HD1 TRP 41 HD1 TRP 41 -5.417 1.348 -2.942
257 HE1 TRP 41 HE1 TRP 41 -4.695 -1.198 -2.909
258 HE3 TRP 41 HE3 TRP 41 -9.890 -0.718 -3.719
259 HZ2 TRP 41 HZ2 TRP 41 -6.026 -3.778 -3.053
260 HZ3 TRP 41 HZ3 TRP 41 -10.248 -3.152 -3.541
261 HH2 TRP 41 HH2 TRP 41 -8.361 -4.704 -3.202
262 H ASN 42 H ASN 42 -6.670 1.506 -5.927
263 HA ASN 42 HA ASN 42 -5.726 3.292 -7.793
264 1HB ASN 42 1HB ASN 42 -3.675 4.313 -6.932
265 2HB ASN 42 2HB ASN 42 -5.091 4.982 -6.204
266 1HD2 ASN 42 1HD2 ASN 42 -5.556 4.370 -3.941
267 2HD2 ASN 42 2HD2 ASN 42 -4.252 3.821 -2.894
268 H LYS 43 H LYS 43 -5.867 0.391 -7.487
269 HA LYS 43 HA LYS 43 -5.183 -0.172 -5.324
270 1HB LYS 43 1HB LYS 43 -4.886 -2.473 -5.517
271 2HB LYS 43 2HB LYS 43 -6.076 -1.869 -6.650
272 1HG LYS 43 1HG LYS 43 -4.318 -1.989 -8.449
273 2HG LYS 43 2HG LYS 43 -3.246 -2.778 -7.247
274 1HD LYS 43 1HD LYS 43 -4.996 -4.497 -6.826
275 2HD LYS 43 2HD LYS 43 -5.978 -3.839 -8.119
276 1HE LYS 43 1HE LYS 43 -3.117 -4.869 -8.474
277 2HE LYS 43 2HE LYS 43 -4.569 -5.831 -8.768
278 1HZ LYS 43 3HZ LYS 43 -5.185 -4.205 -10.499
279 2HZ LYS 43 2HZ LYS 43 -3.790 -3.390 -10.268
280 3HZ LYS 43 1HZ LYS 43 -3.753 -4.919 -10.797
281 H CYS 44 H CYS 44 -3.872 0.619 -4.005
282 HA CYS 44 HA CYS 44 -1.003 0.156 -3.906
283 1HB CYS 44 1HB CYS 44 -1.184 1.017 -1.620
284 2HB CYS 44 2HB CYS 44 -2.136 2.057 -2.657
No H/Q in entry = 284
Start of MODEL 10
1 H1 LYS 1 3H LYS 1 -18.421 -3.056 1.939
2 H2 LYS 1 2H LYS 1 -18.582 -4.591 2.456
3 H3 LYS 1 1H LYS 1 -17.778 -3.510 3.381
4 HA LYS 1 HA LYS 1 -16.074 -3.220 1.695
5 1HB LYS 1 1HB LYS 1 -14.861 -5.281 2.065
6 2HB LYS 1 2HB LYS 1 -15.633 -4.740 3.520
7 1HG LYS 1 1HG LYS 1 -17.396 -6.444 3.316
8 2HG LYS 1 2HG LYS 1 -16.760 -6.953 1.760
9 1HD LYS 1 1HD LYS 1 -14.609 -7.606 2.878
10 2HD LYS 1 2HD LYS 1 -15.274 -7.073 4.438
11 1HE LYS 1 1HE LYS 1 -17.119 -8.721 4.207
12 2HE LYS 1 2HE LYS 1 -16.465 -9.247 2.680
13 1HZ LYS 1 1HZ LYS 1 -15.051 -9.449 5.291
14 2HZ LYS 1 3HZ LYS 1 -15.742 -10.698 4.508
15 3HZ LYS 1 2HZ LYS 1 -14.450 -9.972 3.858
16 H TYR 2 H TYR 2 -15.308 -5.664 0.192
17 HA TYR 2 HA TYR 2 -15.270 -6.327 -2.009
18 1HB TYR 2 1HB TYR 2 -18.278 -6.201 -1.885
19 2HB TYR 2 2HB TYR 2 -17.292 -7.095 -3.023
20 HD1 TYR 2 HD1 TYR 2 -15.503 -8.740 -1.874
21 HD2 TYR 2 HD2 TYR 2 -19.200 -7.437 -0.094
22 HE1 TYR 2 HE1 TYR 2 -15.472 -10.725 -0.365
23 HE2 TYR 2 HE2 TYR 2 -19.159 -9.440 1.421
24 HH TYR 2 HH TYR 2 -16.579 -11.880 1.235
25 H TYR 3 H TYR 3 -14.847 -3.675 -1.597
26 HA TYR 3 HA TYR 3 -16.265 -1.764 -3.081
27 1HB TYR 3 1HB TYR 3 -13.806 -0.665 -2.873
28 2HB TYR 3 2HB TYR 3 -15.042 -0.675 -1.641
29 HD1 TYR 3 HD1 TYR 3 -14.824 -1.846 0.303
30 HD2 TYR 3 HD2 TYR 3 -12.039 -2.598 -2.863
31 HE1 TYR 3 HE1 TYR 3 -13.405 -3.267 1.882
32 HE2 TYR 3 HE2 TYR 3 -10.778 -4.157 -1.438
33 HH TYR 3 HH TYR 3 -11.674 -4.805 1.974
34 H GLY 4 H GLY 4 -13.592 -3.898 -4.079
35 1HA GLY 4 2HA GLY 4 -13.705 -3.643 -6.830
36 2HA GLY 4 1HA GLY 4 -12.303 -4.155 -5.908
37 H ASN 5 H ASN 5 -12.286 -1.246 -4.724
38 HA ASN 5 HA ASN 5 -10.986 0.152 -7.045
39 1HB ASN 5 1HB ASN 5 -13.138 1.134 -5.144
40 2HB ASN 5 2HB ASN 5 -12.067 2.258 -5.993
41 1HD2 ASN 5 1HD2 ASN 5 -14.663 -0.099 -6.512
42 2HD2 ASN 5 2HD2 ASN 5 -14.935 0.447 -8.172
43 H GLY 6 H GLY 6 -9.407 -1.225 -5.565
44 1HA GLY 6 2HA GLY 6 -7.275 0.407 -4.867
45 2HA GLY 6 1HA GLY 6 -7.411 -1.325 -4.641
46 H VAL 7 H VAL 7 -9.413 1.083 -2.890
47 HA VAL 7 HA VAL 7 -8.446 1.348 -0.490
48 HB VAL 7 HB VAL 7 -10.474 2.243 -1.647
49 1HG1 VAL 7 3HG1 VAL 7 -11.471 0.118 -2.244
50 2HG1 VAL 7 1HG1 VAL 7 -11.828 -0.169 -0.510
51 3HG1 VAL 7 2HG1 VAL 7 -12.574 1.208 -1.377
52 1HG2 VAL 7 1HG2 VAL 7 -9.790 2.330 0.887
53 2HG2 VAL 7 2HG2 VAL 7 -11.396 2.904 0.327
54 3HG2 VAL 7 3HG2 VAL 7 -11.224 1.312 1.129
55 H HIS 8 H HIS 8 -8.708 0.491 1.477
56 HA HIS 8 HA HIS 8 -10.209 -2.067 1.877
57 1HB HIS 8 1HB HIS 8 -7.752 -1.499 3.575
58 2HB HIS 8 2HB HIS 8 -8.700 -2.970 3.467
59 HD1 HIS 8 HD1 HIS 8 -5.944 -1.058 1.695
60 HD2 HIS 8 HD2 HIS 8 -8.491 -4.330 1.035
61 HE1 HIS 8 HE1 HIS 8 -5.179 -2.087 -0.489
62 HE2 HIS 8 HE2 HIS 8 -6.610 -4.219 -0.823
63 H CYS 9 H CYS 9 -12.049 -0.917 2.495
64 HA CYS 9 HA CYS 9 -12.416 1.253 4.089
65 1HB CYS 9 1HB CYS 9 -14.042 -1.289 4.173
66 2HB CYS 9 2HB CYS 9 -14.572 0.279 4.764
67 H GLY 10 H GLY 10 -12.387 1.882 6.166
68 1HA GLY 10 2HA GLY 10 -10.615 1.808 7.784
69 2HA GLY 10 1HA GLY 10 -10.943 0.105 8.106
70 H LYS 11 H LYS 11 -13.916 1.379 7.910
71 HA LYS 11 HA LYS 11 -15.331 2.747 9.035
72 1HB LYS 11 1HB LYS 11 -15.772 2.342 11.368
73 2HB LYS 11 2HB LYS 11 -15.650 0.845 10.456
74 1HG LYS 11 1HG LYS 11 -13.484 0.352 11.470
75 2HG LYS 11 2HG LYS 11 -13.395 1.944 12.197
76 1HD LYS 11 1HD LYS 11 -15.532 -0.130 12.849
77 2HD LYS 11 2HD LYS 11 -14.004 0.028 13.708
78 1HE LYS 11 1HE LYS 11 -14.583 2.343 14.350
79 2HE LYS 11 2HE LYS 11 -16.102 2.235 13.453
80 1HZ LYS 11 3HZ LYS 11 -15.393 0.557 15.800
81 2HZ LYS 11 2HZ LYS 11 -16.424 1.823 15.803
82 3HZ LYS 11 1HZ LYS 11 -16.774 0.458 14.963
83 H HIS 12 H HIS 12 -13.209 4.027 8.129
84 HA HIS 12 HA HIS 12 -12.713 6.217 10.090
85 1HB HIS 12 1HB HIS 12 -11.106 5.254 7.712
86 2HB HIS 12 2HB HIS 12 -10.712 6.641 8.721
87 HD1 HIS 12 HD1 HIS 12 -8.571 4.389 8.500
88 HD2 HIS 12 HD2 HIS 12 -11.551 4.665 11.477
89 HE1 HIS 12 HE1 HIS 12 -7.731 3.031 10.510
90 HE2 HIS 12 HE2 HIS 12 -9.526 3.241 12.333
91 H SER 13 H SER 13 -14.184 7.318 6.554
92 HA SER 13 HA SER 13 -15.272 4.804 7.687
93 1HB SER 13 1HB SER 13 -16.077 6.436 5.284
94 2HB SER 13 2HB SER 13 -16.828 4.925 5.831
95 HG SER 13 HG SER 13 -16.583 7.314 7.357
96 H CYS 14 H CYS 14 -14.325 5.749 4.353
97 HA CYS 14 HA CYS 14 -12.615 3.371 4.017
98 1HB CYS 14 1HB CYS 14 -15.077 2.768 3.613
99 2HB CYS 14 2HB CYS 14 -15.076 3.892 2.266
100 H THR 15 H THR 15 -10.926 3.847 2.779
101 HA THR 15 HA THR 15 -10.783 6.778 2.250
102 HB THR 15 HB THR 15 -8.593 6.404 3.559
103 HG1 THR 15 HG1 THR 15 -8.642 4.563 4.872
104 1HG2 THR 15 3HG2 THR 15 -10.700 7.451 4.526
105 2HG2 THR 15 2HG2 THR 15 -11.210 5.848 5.053
106 3HG2 THR 15 1HG2 THR 15 -9.707 6.563 5.705
107 H VAL 16 H VAL 16 -9.460 3.892 1.071
108 HA VAL 16 HA VAL 16 -6.959 5.149 0.102
109 HB VAL 16 HB VAL 16 -7.625 2.922 1.915
110 1HG1 VAL 16 3HG1 VAL 16 -6.404 1.488 0.333
111 2HG1 VAL 16 1HG1 VAL 16 -4.999 2.613 0.424
112 3HG1 VAL 16 2HG1 VAL 16 -5.563 1.735 1.849
113 1HG2 VAL 16 2HG2 VAL 16 -6.688 5.116 2.581
114 2HG2 VAL 16 3HG2 VAL 16 -5.586 3.784 3.021
115 3HG2 VAL 16 1HG2 VAL 16 -5.228 4.790 1.619
116 H ASP 17 H ASP 17 -5.696 3.195 -1.057
117 HA ASP 17 HA ASP 17 -5.776 1.781 -3.125
118 1HB ASP 17 1HB ASP 17 -7.672 2.461 -4.300
119 2HB ASP 17 2HB ASP 17 -7.308 4.184 -4.133
120 H TRP 18 H TRP 18 -5.297 5.286 -2.738
121 HA TRP 18 HA TRP 18 -2.510 5.390 -3.507
122 1HB TRP 18 1HB TRP 18 -2.473 7.467 -2.325
123 2HB TRP 18 2HB TRP 18 -3.931 7.386 -3.310
124 HD1 TRP 18 HD1 TRP 18 -6.283 7.171 -1.966
125 HE1 TRP 18 HE1 TRP 18 -6.948 7.623 0.446
126 HE3 TRP 18 HE3 TRP 18 -1.626 7.408 0.130
127 HZ2 TRP 18 HZ2 TRP 18 -5.665 8.014 3.005
128 HZ3 TRP 18 HZ3 TRP 18 -1.367 7.644 2.589
129 HH2 TRP 18 HH2 TRP 18 -3.364 7.954 4.029
130 H GLY 19 H GLY 19 -4.078 4.825 -0.337
131 1HA GLY 19 2HA GLY 19 -3.252 3.934 1.663
132 2HA GLY 19 1HA GLY 19 -1.666 4.570 1.193
133 H THR 20 H THR 20 -3.264 2.223 -0.894
134 HA THR 20 HA THR 20 -1.939 -0.140 0.072
135 HB THR 20 HB THR 20 -2.901 0.457 -2.745
136 HG1 THR 20 HG1 THR 20 -4.864 -0.335 -2.012
137 1HG2 THR 20 2HG2 THR 20 -2.639 -2.151 -1.175
138 2HG2 THR 20 1HG2 THR 20 -3.400 -1.983 -2.776
139 3HG2 THR 20 3HG2 THR 20 -1.671 -1.670 -2.568
140 H ALA 21 H ALA 21 -1.083 2.431 -2.268
141 HA ALA 21 HA ALA 21 1.390 1.360 -3.212
142 1HB ALA 21 1HB ALA 21 0.673 4.313 -2.891
143 2HB ALA 21 3HB ALA 21 0.033 3.300 -4.218
144 3HB ALA 21 2HB ALA 21 1.773 3.569 -4.051
145 H ILE 22 H ILE 22 0.644 3.757 -0.554
146 HA ILE 22 HA ILE 22 3.234 3.924 0.511
147 HB ILE 22 HB ILE 22 0.598 4.003 2.022
148 1HG1 ILE 22 1HG1 ILE 22 0.489 5.570 0.106
149 2HG1 ILE 22 2HG1 ILE 22 0.506 6.383 1.620
150 1HG2 ILE 22 2HG2 ILE 22 3.298 5.182 2.733
151 2HG2 ILE 22 3HG2 ILE 22 1.780 5.623 3.566
152 3HG2 ILE 22 1HG2 ILE 22 2.380 3.961 3.627
153 1HD1 ILE 22 2HD1 ILE 22 2.911 6.078 -0.235
154 2HD1 ILE 22 3HD1 ILE 22 1.911 7.529 -0.062
155 3HD1 ILE 22 1HD1 ILE 22 2.897 6.999 1.310
156 H GLY 23 H GLY 23 0.727 1.481 1.264
157 1HA GLY 23 2HA GLY 23 0.884 -0.610 2.275
158 2HA GLY 23 1HA GLY 23 2.213 0.036 3.250
159 H CYS 24 H CYS 24 1.878 -0.542 -0.232
160 HA CYS 24 HA CYS 24 3.576 -2.735 -0.642
161 1HB CYS 24 1HB CYS 24 2.090 -1.869 -2.318
162 2HB CYS 24 2HB CYS 24 2.901 -0.336 -2.392
163 H ILE 25 H ILE 25 4.528 0.689 -1.037
164 HA ILE 25 HA ILE 25 7.347 0.330 -1.111
165 HB ILE 25 HB ILE 25 5.511 2.668 -0.495
166 1HG1 ILE 25 1HG1 ILE 25 6.688 3.672 -2.403
167 2HG1 ILE 25 2HG1 ILE 25 7.758 2.291 -2.493
168 1HG2 ILE 25 3HG2 ILE 25 8.534 2.666 -0.198
169 2HG2 ILE 25 1HG2 ILE 25 7.552 4.128 -0.322
170 3HG2 ILE 25 2HG2 ILE 25 7.351 3.051 1.078
171 1HD1 ILE 25 1HD1 ILE 25 4.767 2.280 -3.101
172 2HD1 ILE 25 2HD1 ILE 25 6.072 2.326 -4.283
173 3HD1 ILE 25 3HD1 ILE 25 5.893 0.886 -3.294
174 H GLY 26 H GLY 26 5.352 1.196 1.790
175 1HA GLY 26 2HA GLY 26 5.757 0.993 4.025
176 2HA GLY 26 1HA GLY 26 7.386 1.462 3.601
177 H ASN 27 H ASN 27 5.508 -1.534 3.066
178 HA ASN 27 HA ASN 27 6.888 -3.157 5.009
179 1HB ASN 27 1HB ASN 27 4.616 -3.666 4.170
180 2HB ASN 27 2HB ASN 27 5.232 -3.893 2.552
181 1HD2 ASN 27 1HD2 ASN 27 5.725 -5.997 2.035
182 2HD2 ASN 27 2HD2 ASN 27 5.990 -7.295 3.213
183 H ASN 28 H ASN 28 7.325 -2.774 1.441
184 HA ASN 28 HA ASN 28 9.492 -4.713 1.473
185 1HB ASN 28 1HB ASN 28 8.426 -2.853 -0.674
186 2HB ASN 28 2HB ASN 28 9.768 -3.987 -0.921
187 1HD2 ASN 28 1HD2 ASN 28 6.376 -3.690 -0.828
188 2HD2 ASN 28 2HD2 ASN 28 6.012 -5.437 -0.936
189 H ALA 29 H ALA 29 9.454 -1.177 1.623
190 HA ALA 29 HA ALA 29 12.239 -0.578 1.554
191 1HB ALA 29 2HB ALA 29 9.994 0.530 3.301
192 2HB ALA 29 1HB ALA 29 10.617 1.197 1.774
193 3HB ALA 29 3HB ALA 29 11.660 1.142 3.222
194 H ALA 30 H ALA 30 10.409 -1.321 4.609
195 HA ALA 30 HA ALA 30 12.905 -1.648 5.934
196 1HB ALA 30 2HB ALA 30 10.762 -1.083 7.091
197 2HB ALA 30 1HB ALA 30 11.591 -2.441 7.847
198 3HB ALA 30 3HB ALA 30 10.183 -2.748 6.833
199 H ALA 31 H ALA 31 11.138 -4.092 4.095
200 HA ALA 31 HA ALA 31 12.791 -6.303 4.964
201 1HB ALA 31 1HB ALA 31 11.837 -7.479 3.064
202 2HB ALA 31 2HB ALA 31 10.563 -6.535 3.860
203 3HB ALA 31 3HB ALA 31 11.290 -5.964 2.334
204 H ASN 32 H ASN 32 13.418 -3.648 2.808
205 HA ASN 32 HA ASN 32 15.921 -4.925 1.792
206 1HB ASN 32 1HB ASN 32 15.740 -3.863 -0.175
207 2HB ASN 32 2HB ASN 32 14.110 -4.412 0.201
208 1HD2 ASN 32 2HD2 ASN 32 12.907 -3.080 -0.950
209 2HD2 ASN 32 1HD2 ASN 32 13.000 -1.322 -0.949
210 H TRP 33 H TRP 33 14.913 -2.281 3.692
211 HA TRP 33 HA TRP 33 16.961 -0.966 4.808
212 1HB TRP 33 1HB TRP 33 18.280 -0.861 2.810
213 2HB TRP 33 2HB TRP 33 16.826 -0.386 1.888
214 HD1 TRP 33 HD1 TRP 33 17.945 1.574 0.818
215 HE1 TRP 33 HE1 TRP 33 18.804 3.909 1.624
216 HE3 TRP 33 HE3 TRP 33 17.050 1.033 5.720
217 HZ2 TRP 33 HZ2 TRP 33 19.191 5.241 4.164
218 HZ3 TRP 33 HZ3 TRP 33 17.594 2.826 7.372
219 HH2 TRP 33 HH2 TRP 33 18.671 4.947 6.574
220 H ALA 34 H ALA 34 15.620 1.126 2.519
221 HA ALA 34 HA ALA 34 13.274 2.034 4.086
222 1HB ALA 34 1HB ALA 34 15.221 3.199 4.943
223 2HB ALA 34 3HB ALA 34 14.223 4.313 4.004
224 3HB ALA 34 2HB ALA 34 15.708 3.673 3.293
225 H THR 35 H THR 35 14.097 0.871 1.326
226 HA THR 35 HA THR 35 13.219 0.878 -0.846
227 HB THR 35 HB THR 35 12.680 2.801 -2.163
228 HG1 THR 35 HG1 THR 35 12.772 4.232 0.216
229 1HG2 THR 35 2HG2 THR 35 10.956 1.501 -0.816
230 2HG2 THR 35 1HG2 THR 35 10.951 2.871 0.318
231 3HG2 THR 35 3HG2 THR 35 10.520 3.132 -1.357
232 H GLY 36 H GLY 36 15.525 0.100 -0.538
233 1HA GLY 36 2HA GLY 36 17.754 1.797 -1.268
234 2HA GLY 36 1HA GLY 36 16.979 1.266 -2.722
235 H GLY 37 H GLY 37 17.130 -1.091 -0.031
236 1HA GLY 37 2HA GLY 37 17.836 -3.327 -0.296
237 2HA GLY 37 1HA GLY 37 19.247 -2.659 -1.086
238 H ASN 38 H ASN 38 15.944 -2.315 -2.281
239 HA ASN 38 HA ASN 38 16.695 -2.956 -4.962
240 1HB ASN 38 1HB ASN 38 15.241 -4.871 -5.348
241 2HB ASN 38 2HB ASN 38 16.344 -5.279 -4.067
242 1HD2 ASN 38 1HD2 ASN 38 13.043 -5.233 -4.987
243 2HD2 ASN 38 2HD2 ASN 38 12.434 -5.600 -3.375
244 H ALA 39 H ALA 39 14.727 -2.791 -6.423
245 HA ALA 39 HA ALA 39 12.487 -1.126 -5.328
246 1HB ALA 39 2HB ALA 39 13.817 -0.746 -8.010
247 2HB ALA 39 1HB ALA 39 14.046 0.287 -6.577
248 3HB ALA 39 3HB ALA 39 12.458 0.201 -7.349
249 H GLY 40 H GLY 40 13.429 -3.785 -7.397
250 1HA GLY 40 2HA GLY 40 12.281 -5.338 -8.614
251 2HA GLY 40 1HA GLY 40 10.941 -4.185 -8.757
252 H TRP 41 H TRP 41 10.722 -4.000 -5.787
253 HA TRP 41 HA TRP 41 9.802 -6.448 -4.596
254 1HB TRP 41 1HB TRP 41 8.774 -5.009 -2.957
255 2HB TRP 41 2HB TRP 41 10.378 -4.453 -3.323
256 HD1 TRP 41 HD1 TRP 41 6.734 -3.480 -4.000
257 HE1 TRP 41 HE1 TRP 41 6.586 -0.913 -4.279
258 HE3 TRP 41 HE3 TRP 41 11.610 -2.314 -3.212
259 HZ2 TRP 41 HZ2 TRP 41 8.374 1.309 -4.279
260 HZ3 TRP 41 HZ3 TRP 41 12.254 0.039 -2.966
261 HH2 TRP 41 HH2 TRP 41 10.672 1.894 -3.605
262 H ASN 42 H ASN 42 7.932 -3.845 -5.745
263 HA ASN 42 HA ASN 42 6.452 -5.235 -7.840
264 1HB ASN 42 1HB ASN 42 4.894 -3.669 -5.721
265 2HB ASN 42 2HB ASN 42 4.214 -4.561 -7.064
266 1HD2 ASN 42 2HD2 ASN 42 4.969 -4.724 -3.707
267 2HD2 ASN 42 1HD2 ASN 42 4.824 -6.470 -3.574
268 H LYS 43 H LYS 43 8.417 -2.842 -7.075
269 HA LYS 43 HA LYS 43 8.875 -0.661 -7.446
270 1HB LYS 43 1HB LYS 43 6.537 -0.581 -9.360
271 2HB LYS 43 2HB LYS 43 7.956 0.463 -9.374
272 1HG LYS 43 1HG LYS 43 7.994 -2.518 -10.023
273 2HG LYS 43 2HG LYS 43 7.812 -1.215 -11.177
274 1HD LYS 43 1HD LYS 43 10.227 -1.427 -9.289
275 2HD LYS 43 2HD LYS 43 10.120 -2.240 -10.860
276 1HE LYS 43 1HE LYS 43 9.728 -0.002 -11.950
277 2HE LYS 43 2HE LYS 43 9.977 0.777 -10.386
278 1HZ LYS 43 1HZ LYS 43 11.990 -0.899 -11.792
279 2HZ LYS 43 3HZ LYS 43 12.006 0.738 -11.716
280 3HZ LYS 43 2HZ LYS 43 12.223 -0.147 -10.365
281 H CYS 44 H CYS 44 5.651 -1.386 -6.702
282 HA CYS 44 HA CYS 44 4.161 -0.266 -7.793
283 1HB CYS 44 1HB CYS 44 3.829 0.634 -4.886
284 2HB CYS 44 2HB CYS 44 2.529 0.590 -6.086
No H/Q in entry = 284
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