Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
5370 | 1ha8 RC | 4979 | cing | recoord | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -9.545 -6.477 -2.863
2 H2 GLY 1 H2 GLY 1 -8.727 -7.738 -3.514
3 H3 GLY 1 H3 GLY 1 -9.213 -7.794 -1.924
4 1HA GLY 1 1HA GLY 1 -7.159 -6.078 -3.139
5 2HA GLY 1 2HA GLY 1 -6.906 -7.344 -1.920
6 H GLU 2 H GLU 2 -6.355 -6.255 -0.021
7 HA GLU 2 HA GLU 2 -8.486 -4.717 1.238
8 1HB GLU 2 1HB GLU 2 -7.025 -4.551 3.172
9 2HB GLU 2 2HB GLU 2 -7.324 -6.220 2.623
10 1HG GLU 2 1HG GLU 2 -5.204 -6.143 1.429
11 2HG GLU 2 2HG GLU 2 -4.776 -4.613 2.210
12 H CYS 3 H CYS 3 -5.382 -4.164 -0.277
13 HA CYS 3 HA CYS 3 -5.181 -1.408 0.645
14 1HB CYS 3 1HB CYS 3 -3.189 -2.758 0.446
15 2HB CYS 3 2HB CYS 3 -3.561 -3.177 -1.227
16 H GLU 4 H GLU 4 -5.884 -3.241 -2.361
17 HA GLU 4 HA GLU 4 -6.577 -1.078 -4.035
18 1HB GLU 4 1HB GLU 4 -7.596 -3.938 -3.886
19 2HB GLU 4 2HB GLU 4 -8.138 -2.786 -5.119
20 1HG GLU 4 1HG GLU 4 -5.854 -2.456 -5.908
21 2HG GLU 4 2HG GLU 4 -5.222 -3.521 -4.661
22 H GLN 5 H GLN 5 -8.668 -2.758 -1.594
23 HA GLN 5 HA GLN 5 -11.070 -1.367 -2.204
24 1HB GLN 5 1HB GLN 5 -10.904 -3.320 -0.676
25 2HB GLN 5 2HB GLN 5 -10.045 -2.337 0.498
26 1HG GLN 5 1HG GLN 5 -12.074 -2.172 1.437
27 2HG GLN 5 2HG GLN 5 -12.322 -0.851 0.312
28 1HE2 GLN 5 2HE2 GLN 5 -13.669 -1.344 -1.700
29 2HE2 GLN 5 1HE2 GLN 5 -14.754 -2.692 -1.635
30 H CYS 6 H CYS 6 -8.424 -0.551 0.051
31 HA CYS 6 HA CYS 6 -9.534 1.867 1.058
32 1HB CYS 6 1HB CYS 6 -7.426 0.330 1.718
33 2HB CYS 6 2HB CYS 6 -6.588 1.480 0.714
34 H PHE 7 H PHE 7 -7.422 1.190 -1.745
35 HA PHE 7 HA PHE 7 -7.048 3.863 -2.575
36 1HB PHE 7 1HB PHE 7 -6.349 1.253 -3.524
37 2HB PHE 7 2HB PHE 7 -7.178 2.043 -4.843
38 HD1 PHE 7 HD1 PHE 7 -6.141 3.839 -6.075
39 HD2 PHE 7 HD2 PHE 7 -4.386 2.417 -2.390
40 HE1 PHE 7 HE1 PHE 7 -4.055 5.113 -6.564
41 HE2 PHE 7 HE2 PHE 7 -2.380 3.828 -2.829
42 HZ PHE 7 HZ PHE 7 -2.186 5.095 -4.935
43 H SER 8 H SER 8 -9.586 1.472 -3.545
44 HA SER 8 HA SER 8 -10.928 3.243 -5.326
45 1HB SER 8 1HB SER 8 -11.866 0.796 -3.751
46 2HB SER 8 2HB SER 8 -12.889 1.689 -4.910
47 HG SER 8 HG SER 8 -11.911 0.154 -6.132
48 H ASP 9 H ASP 9 -11.152 2.848 -1.786
49 HA ASP 9 HA ASP 9 -13.289 4.814 -1.473
50 1HB ASP 9 1HB ASP 9 -12.622 2.761 -0.011
51 2HB ASP 9 2HB ASP 9 -11.397 3.813 0.682
52 H GLY 10 H GLY 10 -10.999 5.731 -2.964
53 1HA GLY 10 1HA GLY 10 -10.901 8.371 -1.928
54 2HA GLY 10 2HA GLY 10 -10.073 7.768 -3.363
55 H GLY 11 H GLY 11 -8.919 5.751 -0.937
56 1HA GLY 11 1HA GLY 11 -7.204 5.859 0.553
57 2HA GLY 11 2HA GLY 11 -7.292 7.635 0.490
58 H ASP 12 H ASP 12 -5.070 8.030 0.320
59 HA ASP 12 HA ASP 12 -3.696 7.108 -2.194
60 1HB ASP 12 1HB ASP 12 -3.308 9.435 -0.338
61 2HB ASP 12 2HB ASP 12 -1.993 8.912 -1.384
62 H CYS 13 H CYS 13 -1.960 8.280 0.626
63 HA CYS 13 HA CYS 13 -0.760 5.580 0.961
64 1HB CYS 13 1HB CYS 13 0.612 8.288 1.061
65 2HB CYS 13 2HB CYS 13 1.371 6.700 1.198
66 H THR 14 H THR 14 -0.839 8.797 2.632
67 HA THR 14 HA THR 14 -0.358 7.712 5.224
68 HB THR 14 HB THR 14 -1.835 10.264 4.432
69 HG1 THR 14 HG1 THR 14 0.794 9.533 4.119
70 1HG2 THR 14 1HG2 THR 14 -1.939 9.781 6.850
71 2HG2 THR 14 2HG2 THR 14 -0.185 9.631 6.909
72 3HG2 THR 14 3HG2 THR 14 -0.934 11.197 6.518
73 H THR 15 H THR 15 -3.386 8.711 3.580
74 HA THR 15 HA THR 15 -5.042 7.923 5.791
75 HB THR 15 HB THR 15 -5.244 9.878 4.254
76 HG1 THR 15 HG1 THR 15 -7.196 8.536 5.264
77 1HG2 THR 15 1HG2 THR 15 -6.052 7.902 2.158
78 2HG2 THR 15 2HG2 THR 15 -6.347 9.652 2.068
79 3HG2 THR 15 3HG2 THR 15 -4.687 9.039 2.114
80 H CYS 16 H CYS 16 -3.521 5.744 4.769
81 HA CYS 16 HA CYS 16 -5.557 3.671 4.710
82 1HB CYS 16 1HB CYS 16 -3.731 4.151 2.346
83 2HB CYS 16 2HB CYS 16 -4.292 2.529 2.731
84 H PHE 17 H PHE 17 -1.982 4.425 4.430
85 HA PHE 17 HA PHE 17 -1.056 2.256 5.832
86 1HB PHE 17 1HB PHE 17 0.370 3.974 4.755
87 2HB PHE 17 2HB PHE 17 -0.016 5.115 6.045
88 HD1 PHE 17 HD1 PHE 17 1.132 1.621 5.624
89 HD2 PHE 17 HD2 PHE 17 1.648 5.236 7.856
90 HE1 PHE 17 HE1 PHE 17 3.027 0.562 6.883
91 HE2 PHE 17 HE2 PHE 17 3.492 4.179 9.127
92 HZ PHE 17 HZ PHE 17 4.209 1.869 8.611
93 H ASN 18 H ASN 18 -2.310 5.287 7.299
94 HA ASN 18 HA ASN 18 -3.127 5.724 9.390
95 1HB ASN 18 1HB ASN 18 -4.475 3.648 8.490
96 2HB ASN 18 2HB ASN 18 -3.534 2.768 9.706
97 1HD2 ASN 18 2HD2 ASN 18 -3.931 3.452 12.009
98 2HD2 ASN 18 1HD2 ASN 18 -5.499 4.181 12.406
99 H ASN 19 H ASN 19 -0.347 5.314 9.231
100 HA ASN 19 HA ASN 19 1.459 4.613 10.146
101 1HB ASN 19 1HB ASN 19 0.846 6.461 11.659
102 2HB ASN 19 2HB ASN 19 0.370 5.244 12.865
103 1HD2 ASN 19 2HD2 ASN 19 2.181 6.356 14.182
104 2HD2 ASN 19 1HD2 ASN 19 3.811 5.815 13.827
105 H GLY 20 H GLY 20 0.788 2.497 9.312
106 1HA GLY 20 1HA GLY 20 2.239 0.810 11.101
107 2HA GLY 20 2HA GLY 20 1.869 0.516 9.421
108 H THR 21 H THR 21 -1.092 1.051 10.659
109 HA THR 21 HA THR 21 -1.607 -1.816 11.279
110 HB THR 21 HB THR 21 -1.775 -0.102 13.119
111 HG1 THR 21 HG1 THR 21 -2.533 -2.050 13.489
112 1HG2 THR 21 1HG2 THR 21 -3.029 1.511 11.743
113 2HG2 THR 21 2HG2 THR 21 -4.399 0.375 11.710
114 3HG2 THR 21 3HG2 THR 21 -3.869 1.081 13.262
115 H GLY 22 H GLY 22 -1.956 0.451 8.851
116 1HA GLY 22 1HA GLY 22 -3.280 0.755 7.120
117 2HA GLY 22 2HA GLY 22 -4.640 0.072 8.030
118 HA PRO 23 HA PRO 23 -4.520 -3.289 5.188
119 1HB PRO 23 1HB PRO 23 -5.320 -2.354 2.728
120 2HB PRO 23 2HB PRO 23 -6.398 -2.490 4.145
121 1HG PRO 23 1HG PRO 23 -5.077 -0.038 3.000
122 2HG PRO 23 2HG PRO 23 -6.688 -0.216 3.752
123 1HD PRO 23 1HD PRO 23 -4.422 0.761 4.991
124 2HD PRO 23 2HD PRO 23 -5.848 0.130 5.848
125 H CYS 24 H CYS 24 -3.202 -0.658 3.075
126 HA CYS 24 HA CYS 24 -0.821 -2.270 2.414
127 1HB CYS 24 1HB CYS 24 -1.972 0.309 1.432
128 2HB CYS 24 2HB CYS 24 -0.229 0.271 1.606
129 H ALA 25 H ALA 25 -0.473 -2.611 4.730
130 HA ALA 25 HA ALA 25 1.263 -0.408 5.769
131 1HB ALA 25 1HB ALA 25 0.831 -1.197 8.047
132 2HB ALA 25 2HB ALA 25 -0.335 -2.379 7.414
133 3HB ALA 25 3HB ALA 25 -0.641 -0.633 7.237
134 H ASN 26 H ASN 26 0.876 -4.022 5.871
135 HA ASN 26 HA ASN 26 3.675 -4.346 6.416
136 1HB ASN 26 1HB ASN 26 3.413 -6.647 5.945
137 2HB ASN 26 2HB ASN 26 1.889 -6.151 6.679
138 1HD2 ASN 26 2HD2 ASN 26 3.337 -7.639 3.865
139 2HD2 ASN 26 1HD2 ASN 26 1.875 -7.647 2.901
140 H CYS 27 H CYS 27 1.862 -3.781 3.416
141 HA CYS 27 HA CYS 27 3.921 -4.348 1.567
142 1HB CYS 27 1HB CYS 27 1.959 -2.044 1.183
143 2HB CYS 27 2HB CYS 27 2.775 -2.987 0.003
144 H LEU 28 H LEU 28 4.424 -2.221 4.097
145 HA LEU 28 HA LEU 28 5.754 -0.153 2.404
146 1HB LEU 28 1HB LEU 28 4.669 -0.026 5.251
147 2HB LEU 28 2HB LEU 28 5.620 1.204 4.514
148 HG LEU 28 HG LEU 28 2.861 0.982 4.499
149 1HD1 LEU 28 1HD1 LEU 28 4.177 3.004 4.432
150 2HD1 LEU 28 2HD1 LEU 28 4.659 2.659 2.746
151 3HD1 LEU 28 3HD1 LEU 28 2.956 3.039 3.147
152 1HD2 LEU 28 1HD2 LEU 28 3.662 0.480 1.639
153 2HD2 LEU 28 2HD2 LEU 28 2.637 -0.539 2.703
154 3HD2 LEU 28 3HD2 LEU 28 2.069 1.025 2.248
155 H ALA 29 H ALA 29 6.107 -1.768 5.576
156 HA ALA 29 HA ALA 29 8.912 -1.037 5.793
157 1HB ALA 29 1HB ALA 29 8.811 -2.517 7.794
158 2HB ALA 29 2HB ALA 29 7.132 -2.929 7.393
159 3HB ALA 29 3HB ALA 29 7.574 -1.257 7.806
160 H GLY 30 H GLY 30 7.434 -4.309 5.873
161 1HA GLY 30 1HA GLY 30 8.334 -6.292 5.226
162 2HA GLY 30 2HA GLY 30 9.795 -5.484 4.605
163 H TYR 31 H TYR 31 9.266 -4.028 2.546
164 HA TYR 31 HA TYR 31 7.127 -5.357 0.922
165 1HB TYR 31 1HB TYR 31 6.543 -3.282 0.243
166 2HB TYR 31 2HB TYR 31 7.038 -2.928 1.872
167 HD1 TYR 31 HD1 TYR 31 6.584 -1.153 -0.430
168 HD2 TYR 31 HD2 TYR 31 10.181 -3.039 0.877
169 HE1 TYR 31 HE1 TYR 31 7.830 0.477 -1.767
170 HE2 TYR 31 HE2 TYR 31 11.518 -1.259 -0.260
171 HH TYR 31 HH TYR 31 11.426 0.833 -1.472
172 HA PRO 32 HA PRO 32 11.159 -5.536 -1.416
173 1HB PRO 32 1HB PRO 32 11.996 -8.156 -1.259
174 2HB PRO 32 2HB PRO 32 12.432 -6.904 -0.060
175 1HG PRO 32 1HG PRO 32 10.265 -9.008 0.152
176 2HG PRO 32 2HG PRO 32 11.422 -8.427 1.403
177 1HD PRO 32 1HD PRO 32 8.815 -7.510 1.215
178 2HD PRO 32 2HD PRO 32 10.179 -6.575 1.881
179 H ALA 33 H ALA 33 8.582 -7.879 -1.065
180 HA ALA 33 HA ALA 33 8.460 -8.646 -3.913
181 1HB ALA 33 1HB ALA 33 6.882 -10.327 -3.103
182 2HB ALA 33 2HB ALA 33 8.331 -10.356 -2.084
183 3HB ALA 33 3HB ALA 33 6.853 -9.561 -1.496
184 H GLY 34 H GLY 34 7.362 -5.982 -2.240
185 1HA GLY 34 1HA GLY 34 5.392 -4.755 -2.160
186 2HA GLY 34 2HA GLY 34 4.524 -6.225 -2.535
187 H CYS 35 H CYS 35 7.007 -4.988 -4.717
188 HA CYS 35 HA CYS 35 5.192 -3.648 -6.521
189 1HB CYS 35 1HB CYS 35 8.040 -4.615 -6.965
190 2HB CYS 35 2HB CYS 35 7.220 -3.322 -7.832
191 H SER 36 H SER 36 6.814 -6.878 -6.431
192 HA SER 36 HA SER 36 5.810 -7.780 -8.970
193 1HB SER 36 1HB SER 36 6.895 -9.842 -8.246
194 2HB SER 36 2HB SER 36 7.882 -8.409 -7.871
195 HG SER 36 HG SER 36 7.902 -9.809 -6.118
196 H ASN 37 H ASN 37 4.423 -7.223 -6.126
197 HA ASN 37 HA ASN 37 2.428 -9.355 -5.941
198 1HB ASN 37 1HB ASN 37 3.268 -7.510 -4.064
199 2HB ASN 37 2HB ASN 37 1.957 -6.599 -4.751
200 1HD2 ASN 37 2HD2 ASN 37 0.957 -6.808 -2.516
201 2HD2 ASN 37 1HD2 ASN 37 0.055 -8.262 -2.206
202 H SER 38 H SER 38 -0.120 -8.212 -5.794
203 HA SER 38 HA SER 38 -0.203 -6.120 -7.902
204 1HB SER 38 1HB SER 38 -1.930 -8.502 -7.705
205 2HB SER 38 2HB SER 38 -2.691 -6.956 -8.142
206 HG SER 38 HG SER 38 -1.399 -8.524 -9.779
207 H ASP 39 H ASP 39 -1.926 -7.436 -4.954
208 HA ASP 39 HA ASP 39 -3.677 -5.278 -4.704
209 1HB ASP 39 1HB ASP 39 -3.814 -7.463 -3.526
210 2HB ASP 39 2HB ASP 39 -2.494 -6.965 -2.469
211 H CYS 40 H CYS 40 -0.375 -5.498 -3.652
212 HA CYS 40 HA CYS 40 -0.392 -3.033 -1.991
213 1HB CYS 40 1HB CYS 40 1.874 -4.830 -3.031
214 2HB CYS 40 2HB CYS 40 2.096 -3.442 -2.002
215 H THR 41 H THR 41 0.306 -4.128 -5.270
216 HA THR 41 HA THR 41 2.539 -2.647 -5.716
217 HB THR 41 HB THR 41 0.424 -3.784 -7.536
218 HG1 THR 41 HG1 THR 41 2.107 -5.514 -7.439
219 1HG2 THR 41 1HG2 THR 41 3.293 -3.274 -8.266
220 2HG2 THR 41 2HG2 THR 41 2.044 -4.230 -9.145
221 3HG2 THR 41 3HG2 THR 41 1.859 -2.471 -8.950
222 H ALA 42 H ALA 42 -0.853 -1.746 -6.579
223 HA ALA 42 HA ALA 42 0.096 0.412 -8.291
224 1HB ALA 42 1HB ALA 42 -2.177 -0.613 -8.539
225 2HB ALA 42 2HB ALA 42 -2.667 0.209 -7.031
226 3HB ALA 42 3HB ALA 42 -2.174 1.158 -8.440
227 H PHE 43 H PHE 43 -1.092 0.211 -4.970
228 HA PHE 43 HA PHE 43 -0.793 2.894 -4.138
229 1HB PHE 43 1HB PHE 43 -1.853 1.138 -2.753
230 2HB PHE 43 2HB PHE 43 -0.344 0.270 -2.685
231 HD1 PHE 43 HD1 PHE 43 -2.326 2.603 -0.836
232 HD2 PHE 43 HD2 PHE 43 1.643 1.251 -1.618
233 HE1 PHE 43 HE1 PHE 43 -1.587 3.493 1.348
234 HE2 PHE 43 HE2 PHE 43 2.465 2.332 0.453
235 HZ PHE 43 HZ PHE 43 0.863 3.367 1.982
236 H LEU 44 H LEU 44 1.743 0.219 -3.917
237 HA LEU 44 HA LEU 44 3.659 2.068 -3.134
238 1HB LEU 44 1HB LEU 44 4.200 -0.529 -4.640
239 2HB LEU 44 2HB LEU 44 5.322 0.391 -3.692
240 HG LEU 44 HG LEU 44 2.837 -0.971 -2.602
241 1HD1 LEU 44 1HD1 LEU 44 5.756 -1.756 -2.498
242 2HD1 LEU 44 2HD1 LEU 44 4.451 -2.541 -1.572
243 3HD1 LEU 44 3HD1 LEU 44 4.430 -2.577 -3.342
244 1HD2 LEU 44 1HD2 LEU 44 3.649 1.106 -1.263
245 2HD2 LEU 44 2HD2 LEU 44 3.351 -0.404 -0.450
246 3HD2 LEU 44 3HD2 LEU 44 5.007 0.084 -0.861
247 H SER 45 H SER 45 2.774 1.167 -6.408
248 HA SER 45 HA SER 45 4.783 2.404 -7.931
249 1HB SER 45 1HB SER 45 2.715 0.948 -8.586
250 2HB SER 45 2HB SER 45 1.898 2.495 -8.755
251 HG SER 45 HG SER 45 3.974 1.312 -10.212
252 H GLN 46 H GLN 46 1.841 3.872 -6.476
253 HA GLN 46 HA GLN 46 2.740 6.596 -7.052
254 1HB GLN 46 1HB GLN 46 0.576 5.465 -5.234
255 2HB GLN 46 2HB GLN 46 1.033 7.166 -5.272
256 1HG GLN 46 1HG GLN 46 -0.791 7.080 -6.700
257 2HG GLN 46 2HG GLN 46 0.581 7.147 -7.788
258 1HE2 GLN 46 2HE2 GLN 46 1.131 5.075 -9.050
259 2HE2 GLN 46 1HE2 GLN 46 -0.099 3.822 -9.079
260 H CYS 47 H CYS 47 2.321 5.065 -3.865
261 HA CYS 47 HA CYS 47 3.568 7.045 -2.500
262 1HB CYS 47 1HB CYS 47 3.362 4.170 -1.514
263 2HB CYS 47 2HB CYS 47 3.392 5.634 -0.549
264 H TYR 48 H TYR 48 5.342 4.504 -4.037
265 HA TYR 48 HA TYR 48 7.874 5.324 -2.648
266 1HB TYR 48 1HB TYR 48 6.909 2.557 -3.415
267 2HB TYR 48 2HB TYR 48 8.591 2.940 -3.173
268 HD1 TYR 48 HD1 TYR 48 5.436 2.348 -1.523
269 HD2 TYR 48 HD2 TYR 48 9.520 3.498 -1.027
270 HE1 TYR 48 HE1 TYR 48 5.385 1.519 0.821
271 HE2 TYR 48 HE2 TYR 48 9.421 2.951 1.397
272 HH TYR 48 HH TYR 48 7.738 1.065 2.754
273 H GLY 49 H GLY 49 6.191 4.651 -5.649
274 1HA GLY 49 1HA GLY 49 8.735 4.754 -7.185
275 2HA GLY 49 2HA GLY 49 7.183 5.365 -7.788
276 H GLY 50 H GLY 50 7.076 2.471 -5.879
277 1HA GLY 50 1HA GLY 50 6.181 0.830 -8.114
278 2HA GLY 50 2HA GLY 50 6.412 0.317 -6.429
279 H CYS 51 H CYS 51 8.832 0.501 -5.731
280 HA CYS 51 HA CYS 51 11.007 -0.009 -5.932
281 1HB CYS 51 1HB CYS 51 9.990 -2.039 -7.958
282 2HB CYS 51 2HB CYS 51 11.572 -2.038 -7.226
No H/Q in entry = 282
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 -9.242 -7.206 -2.458
2 H2 GLY 1 H2 GLY 1 -8.046 -8.315 -2.666
3 H3 GLY 1 H3 GLY 1 -8.751 -8.146 -1.186
4 1HA GLY 1 1HA GLY 1 -7.107 -6.175 -2.597
5 2HA GLY 1 2HA GLY 1 -6.594 -7.148 -1.216
6 H GLU 2 H GLU 2 -6.974 -6.341 0.825
7 HA GLU 2 HA GLU 2 -8.964 -4.368 1.456
8 1HB GLU 2 1HB GLU 2 -7.658 -3.953 3.488
9 2HB GLU 2 2HB GLU 2 -8.166 -5.639 3.253
10 1HG GLU 2 1HG GLU 2 -5.884 -6.009 2.260
11 2HG GLU 2 2HG GLU 2 -5.389 -4.453 2.918
12 H CYS 3 H CYS 3 -5.599 -4.312 0.369
13 HA CYS 3 HA CYS 3 -5.200 -1.530 0.714
14 1HB CYS 3 1HB CYS 3 -3.386 -3.170 0.498
15 2HB CYS 3 2HB CYS 3 -3.879 -3.539 -1.163
16 H GLU 4 H GLU 4 -6.424 -3.440 -2.058
17 HA GLU 4 HA GLU 4 -6.599 -1.159 -3.841
18 1HB GLU 4 1HB GLU 4 -7.882 -3.941 -3.977
19 2HB GLU 4 2HB GLU 4 -7.927 -2.710 -5.248
20 1HG GLU 4 1HG GLU 4 -5.315 -2.735 -5.087
21 2HG GLU 4 2HG GLU 4 -5.533 -4.265 -4.222
22 H GLN 5 H GLN 5 -8.863 -2.786 -1.584
23 HA GLN 5 HA GLN 5 -11.207 -1.322 -2.262
24 1HB GLN 5 1HB GLN 5 -11.016 -3.391 -0.757
25 2HB GLN 5 2HB GLN 5 -10.371 -2.330 0.495
26 1HG GLN 5 1HG GLN 5 -12.639 -2.544 1.028
27 2HG GLN 5 2HG GLN 5 -12.549 -0.960 0.273
28 1HE2 GLN 5 2HE2 GLN 5 -14.223 -0.591 -1.266
29 2HE2 GLN 5 1HE2 GLN 5 -15.026 -1.893 -2.099
30 H CYS 6 H CYS 6 -8.626 -0.669 0.162
31 HA CYS 6 HA CYS 6 -9.630 1.793 1.073
32 1HB CYS 6 1HB CYS 6 -7.766 0.440 2.033
33 2HB CYS 6 2HB CYS 6 -6.703 1.020 0.759
34 H PHE 7 H PHE 7 -7.465 1.119 -1.697
35 HA PHE 7 HA PHE 7 -7.140 3.811 -2.571
36 1HB PHE 7 1HB PHE 7 -6.628 1.148 -3.620
37 2HB PHE 7 2HB PHE 7 -7.315 2.160 -4.863
38 HD1 PHE 7 HD1 PHE 7 -4.846 2.760 -2.024
39 HD2 PHE 7 HD2 PHE 7 -5.751 3.163 -6.233
40 HE1 PHE 7 HE1 PHE 7 -2.747 3.957 -2.375
41 HE2 PHE 7 HE2 PHE 7 -3.628 4.386 -6.566
42 HZ PHE 7 HZ PHE 7 -2.131 4.821 -4.616
43 H SER 8 H SER 8 -9.689 1.435 -3.298
44 HA SER 8 HA SER 8 -11.166 3.116 -5.065
45 1HB SER 8 1HB SER 8 -12.203 0.803 -3.371
46 2HB SER 8 2HB SER 8 -12.904 1.475 -4.846
47 HG SER 8 HG SER 8 -10.436 0.092 -4.612
48 H ASP 9 H ASP 9 -10.821 3.317 -1.621
49 HA ASP 9 HA ASP 9 -13.209 5.071 -1.445
50 1HB ASP 9 1HB ASP 9 -13.032 3.090 0.123
51 2HB ASP 9 2HB ASP 9 -11.666 3.900 0.875
52 H GLY 10 H GLY 10 -10.888 5.759 -2.845
53 1HA GLY 10 1HA GLY 10 -10.518 8.445 -1.948
54 2HA GLY 10 2HA GLY 10 -9.711 7.636 -3.291
55 H GLY 11 H GLY 11 -8.298 5.685 -2.321
56 1HA GLY 11 1HA GLY 11 -6.572 5.028 -0.825
57 2HA GLY 11 2HA GLY 11 -6.592 6.620 -0.080
58 H ASP 12 H ASP 12 -4.447 7.200 -0.375
59 HA ASP 12 HA ASP 12 -3.293 7.138 -3.107
60 1HB ASP 12 1HB ASP 12 -1.807 9.087 -2.065
61 2HB ASP 12 2HB ASP 12 -3.378 9.489 -2.717
62 H CYS 13 H CYS 13 -2.267 7.589 0.239
63 HA CYS 13 HA CYS 13 -0.619 5.225 0.405
64 1HB CYS 13 1HB CYS 13 0.880 6.547 -0.931
65 2HB CYS 13 2HB CYS 13 0.511 7.997 -0.045
66 H THR 14 H THR 14 -0.668 8.563 1.754
67 HA THR 14 HA THR 14 -0.365 7.528 4.422
68 HB THR 14 HB THR 14 -1.124 10.320 3.458
69 HG1 THR 14 HG1 THR 14 0.869 9.605 2.714
70 1HG2 THR 14 1HG2 THR 14 -0.104 9.348 6.165
71 2HG2 THR 14 2HG2 THR 14 -0.150 11.046 5.655
72 3HG2 THR 14 3HG2 THR 14 -1.659 10.111 5.840
73 H THR 15 H THR 15 -3.257 8.639 2.543
74 HA THR 15 HA THR 15 -4.935 8.295 4.890
75 HB THR 15 HB THR 15 -5.049 9.952 2.930
76 HG1 THR 15 HG1 THR 15 -7.050 8.892 4.415
77 1HG2 THR 15 1HG2 THR 15 -5.126 8.431 1.038
78 2HG2 THR 15 2HG2 THR 15 -6.756 7.917 1.551
79 3HG2 THR 15 3HG2 THR 15 -6.437 9.589 1.086
80 H CYS 16 H CYS 16 -3.370 5.963 4.171
81 HA CYS 16 HA CYS 16 -5.483 3.945 4.474
82 1HB CYS 16 1HB CYS 16 -3.331 3.771 2.351
83 2HB CYS 16 2HB CYS 16 -4.127 2.354 3.008
84 H PHE 17 H PHE 17 -1.882 4.568 4.205
85 HA PHE 17 HA PHE 17 -1.016 2.356 5.499
86 1HB PHE 17 1HB PHE 17 0.501 4.003 4.451
87 2HB PHE 17 2HB PHE 17 0.182 5.153 5.746
88 HD1 PHE 17 HD1 PHE 17 2.098 5.358 7.243
89 HD2 PHE 17 HD2 PHE 17 1.003 1.504 5.660
90 HE1 PHE 17 HE1 PHE 17 3.975 4.305 8.452
91 HE2 PHE 17 HE2 PHE 17 2.824 0.424 7.003
92 HZ PHE 17 HZ PHE 17 4.321 1.824 8.347
93 H ASN 18 H ASN 18 -2.140 5.303 7.116
94 HA ASN 18 HA ASN 18 -2.866 5.716 9.162
95 1HB ASN 18 1HB ASN 18 -4.082 3.509 8.643
96 2HB ASN 18 2HB ASN 18 -3.002 2.780 9.780
97 1HD2 ASN 18 2HD2 ASN 18 -5.626 4.709 9.305
98 2HD2 ASN 18 1HD2 ASN 18 -6.159 5.041 10.964
99 H ASN 19 H ASN 19 0.072 4.229 8.778
100 HA ASN 19 HA ASN 19 2.059 4.396 9.880
101 1HB ASN 19 1HB ASN 19 1.263 6.293 11.146
102 2HB ASN 19 2HB ASN 19 0.702 5.201 12.436
103 1HD2 ASN 19 2HD2 ASN 19 2.827 7.384 12.305
104 2HD2 ASN 19 1HD2 ASN 19 4.103 6.583 13.208
105 H GLY 20 H GLY 20 1.084 2.210 9.092
106 1HA GLY 20 1HA GLY 20 2.540 0.526 10.876
107 2HA GLY 20 2HA GLY 20 2.003 0.153 9.275
108 H THR 21 H THR 21 -0.868 0.990 10.691
109 HA THR 21 HA THR 21 -1.472 -1.886 11.130
110 HB THR 21 HB THR 21 -1.633 0.205 12.941
111 HG1 THR 21 HG1 THR 21 -2.297 -1.256 14.270
112 1HG2 THR 21 1HG2 THR 21 -3.816 0.893 11.795
113 2HG2 THR 21 2HG2 THR 21 -4.472 -0.654 12.353
114 3HG2 THR 21 3HG2 THR 21 -3.889 0.541 13.506
115 H GLY 22 H GLY 22 -1.855 0.575 8.900
116 1HA GLY 22 1HA GLY 22 -3.260 1.030 7.220
117 2HA GLY 22 2HA GLY 22 -4.599 0.419 8.209
118 HA PRO 23 HA PRO 23 -5.132 -2.891 5.476
119 1HB PRO 23 1HB PRO 23 -6.083 -1.967 3.081
120 2HB PRO 23 2HB PRO 23 -7.000 -1.881 4.632
121 1HG PRO 23 1HG PRO 23 -5.435 0.294 3.234
122 2HG PRO 23 2HG PRO 23 -7.010 0.403 4.105
123 1HD PRO 23 1HD PRO 23 -4.527 1.073 5.148
124 2HD PRO 23 2HD PRO 23 -5.961 0.655 6.153
125 H CYS 24 H CYS 24 -3.482 -0.422 3.432
126 HA CYS 24 HA CYS 24 -1.439 -2.439 2.649
127 1HB CYS 24 1HB CYS 24 -2.359 0.028 1.359
128 2HB CYS 24 2HB CYS 24 -0.648 0.082 1.720
129 H ALA 25 H ALA 25 -0.726 -2.762 4.797
130 HA ALA 25 HA ALA 25 1.037 -0.557 5.706
131 1HB ALA 25 1HB ALA 25 -0.447 -2.526 7.463
132 2HB ALA 25 2HB ALA 25 -0.677 -0.765 7.365
133 3HB ALA 25 3HB ALA 25 0.832 -1.423 8.002
134 H ASN 26 H ASN 26 0.571 -4.137 5.836
135 HA ASN 26 HA ASN 26 3.350 -4.476 6.352
136 1HB ASN 26 1HB ASN 26 1.631 -6.629 5.035
137 2HB ASN 26 2HB ASN 26 3.038 -6.840 6.083
138 1HD2 ASN 26 2HD2 ASN 26 0.243 -8.036 6.417
139 2HD2 ASN 26 1HD2 ASN 26 -0.274 -7.436 7.946
140 H CYS 27 H CYS 27 1.734 -3.868 3.370
141 HA CYS 27 HA CYS 27 3.751 -4.835 1.540
142 1HB CYS 27 1HB CYS 27 1.950 -2.435 1.060
143 2HB CYS 27 2HB CYS 27 2.785 -3.406 -0.087
144 H LEU 28 H LEU 28 4.313 -2.655 4.033
145 HA LEU 28 HA LEU 28 5.722 -0.652 2.341
146 1HB LEU 28 1HB LEU 28 4.702 -0.458 5.224
147 2HB LEU 28 2HB LEU 28 5.562 0.763 4.396
148 HG LEU 28 HG LEU 28 2.846 0.521 4.595
149 1HD1 LEU 28 1HD1 LEU 28 4.097 2.575 4.254
150 2HD1 LEU 28 2HD1 LEU 28 4.366 2.162 2.556
151 3HD1 LEU 28 3HD1 LEU 28 2.729 2.489 3.163
152 1HD2 LEU 28 1HD2 LEU 28 2.520 -1.144 2.920
153 2HD2 LEU 28 2HD2 LEU 28 1.836 0.371 2.444
154 3HD2 LEU 28 3HD2 LEU 28 3.393 -0.130 1.712
155 H ALA 29 H ALA 29 6.072 -1.917 5.619
156 HA ALA 29 HA ALA 29 8.592 -1.000 6.138
157 1HB ALA 29 1HB ALA 29 8.597 -2.774 7.935
158 2HB ALA 29 2HB ALA 29 7.148 -3.476 7.166
159 3HB ALA 29 3HB ALA 29 7.081 -1.844 7.836
160 H GLY 30 H GLY 30 7.943 -4.442 5.311
161 1HA GLY 30 1HA GLY 30 9.854 -5.943 4.833
162 2HA GLY 30 2HA GLY 30 10.639 -4.579 4.007
163 H TYR 31 H TYR 31 9.750 -3.763 2.031
164 HA TYR 31 HA TYR 31 7.680 -5.550 0.775
165 1HB TYR 31 1HB TYR 31 6.730 -3.651 0.044
166 2HB TYR 31 2HB TYR 31 7.284 -3.114 1.593
167 HD1 TYR 31 HD1 TYR 31 10.331 -2.836 0.333
168 HD2 TYR 31 HD2 TYR 31 6.405 -1.505 -0.663
169 HE1 TYR 31 HE1 TYR 31 11.319 -0.907 -0.869
170 HE2 TYR 31 HE2 TYR 31 7.335 0.474 -1.864
171 HH TYR 31 HH TYR 31 10.755 1.243 -1.791
172 HA PRO 32 HA PRO 32 11.293 -5.147 -2.158
173 1HB PRO 32 1HB PRO 32 12.778 -7.466 -1.931
174 2HB PRO 32 2HB PRO 32 13.020 -6.037 -0.886
175 1HG PRO 32 1HG PRO 32 11.368 -8.516 -0.284
176 2HG PRO 32 2HG PRO 32 12.603 -7.713 0.754
177 1HD PRO 32 1HD PRO 32 9.929 -7.222 1.056
178 2HD PRO 32 2HD PRO 32 11.174 -5.956 1.280
179 H ALA 33 H ALA 33 8.882 -7.383 -1.449
180 HA ALA 33 HA ALA 33 8.650 -8.406 -4.232
181 1HB ALA 33 1HB ALA 33 9.281 -10.218 -2.690
182 2HB ALA 33 2HB ALA 33 7.605 -10.415 -3.235
183 3HB ALA 33 3HB ALA 33 7.941 -9.759 -1.606
184 H GLY 34 H GLY 34 7.437 -6.102 -2.164
185 1HA GLY 34 1HA GLY 34 5.246 -5.245 -1.792
186 2HA GLY 34 2HA GLY 34 4.584 -6.751 -2.380
187 H CYS 35 H CYS 35 6.964 -4.663 -4.092
188 HA CYS 35 HA CYS 35 5.222 -3.370 -5.862
189 1HB CYS 35 1HB CYS 35 7.990 -4.396 -6.497
190 2HB CYS 35 2HB CYS 35 7.203 -2.986 -7.199
191 H SER 36 H SER 36 6.007 -6.876 -5.907
192 HA SER 36 HA SER 36 5.203 -6.999 -8.686
193 1HB SER 36 1HB SER 36 6.175 -9.185 -8.542
194 2HB SER 36 2HB SER 36 7.263 -7.964 -7.862
195 HG SER 36 HG SER 36 5.859 -10.001 -6.556
196 H ASN 37 H ASN 37 4.009 -7.236 -5.566
197 HA ASN 37 HA ASN 37 1.741 -9.095 -6.115
198 1HB ASN 37 1HB ASN 37 2.901 -7.878 -3.620
199 2HB ASN 37 2HB ASN 37 1.171 -7.811 -3.708
200 1HD2 ASN 37 2HD2 ASN 37 -0.052 -9.701 -4.300
201 2HD2 ASN 37 1HD2 ASN 37 0.447 -11.284 -3.733
202 H SER 38 H SER 38 0.614 -7.985 -7.805
203 HA SER 38 HA SER 38 0.199 -5.322 -8.136
204 1HB SER 38 1HB SER 38 -1.566 -7.602 -8.738
205 2HB SER 38 2HB SER 38 -1.832 -5.967 -9.371
206 HG SER 38 HG SER 38 -0.286 -6.233 -10.724
207 H ASP 39 H ASP 39 -1.438 -7.364 -5.780
208 HA ASP 39 HA ASP 39 -3.620 -5.770 -4.986
209 1HB ASP 39 1HB ASP 39 -3.167 -8.100 -4.310
210 2HB ASP 39 2HB ASP 39 -1.774 -7.586 -3.358
211 H CYS 40 H CYS 40 -0.183 -5.444 -4.293
212 HA CYS 40 HA CYS 40 -0.538 -3.218 -2.348
213 1HB CYS 40 1HB CYS 40 1.864 -4.880 -3.255
214 2HB CYS 40 2HB CYS 40 1.955 -3.544 -2.117
215 H THR 41 H THR 41 0.773 -4.122 -5.580
216 HA THR 41 HA THR 41 2.566 -2.216 -5.987
217 HB THR 41 HB THR 41 0.641 -3.442 -7.944
218 HG1 THR 41 HG1 THR 41 2.526 -4.920 -8.105
219 1HG2 THR 41 1HG2 THR 41 1.984 -1.660 -9.032
220 2HG2 THR 41 2HG2 THR 41 3.445 -2.586 -8.592
221 3HG2 THR 41 3HG2 THR 41 2.207 -3.309 -9.655
222 H ALA 42 H ALA 42 -0.983 -1.552 -6.573
223 HA ALA 42 HA ALA 42 -0.342 0.819 -8.161
224 1HB ALA 42 1HB ALA 42 -2.491 -0.418 -8.407
225 2HB ALA 42 2HB ALA 42 -2.960 0.099 -6.779
226 3HB ALA 42 3HB ALA 42 -2.705 1.307 -8.059
227 H PHE 43 H PHE 43 -1.213 0.092 -4.822
228 HA PHE 43 HA PHE 43 -1.122 2.771 -3.768
229 1HB PHE 43 1HB PHE 43 -2.148 0.963 -2.511
230 2HB PHE 43 2HB PHE 43 -0.676 0.022 -2.593
231 HD1 PHE 43 HD1 PHE 43 -2.446 2.524 -0.625
232 HD2 PHE 43 HD2 PHE 43 1.333 0.638 -1.406
233 HE1 PHE 43 HE1 PHE 43 -1.530 3.374 1.542
234 HE2 PHE 43 HE2 PHE 43 2.277 1.650 0.655
235 HZ PHE 43 HZ PHE 43 0.825 2.938 2.152
236 H LEU 44 H LEU 44 1.409 0.150 -3.856
237 HA LEU 44 HA LEU 44 3.350 1.828 -2.831
238 1HB LEU 44 1HB LEU 44 3.686 -0.593 -4.651
239 2HB LEU 44 2HB LEU 44 4.990 0.187 -3.791
240 HG LEU 44 HG LEU 44 2.597 -1.151 -2.471
241 1HD1 LEU 44 1HD1 LEU 44 5.492 -2.004 -2.790
242 2HD1 LEU 44 2HD1 LEU 44 4.312 -2.811 -1.738
243 3HD1 LEU 44 3HD1 LEU 44 4.053 -2.769 -3.494
244 1HD2 LEU 44 1HD2 LEU 44 3.451 0.748 -1.080
245 2HD2 LEU 44 2HD2 LEU 44 3.636 -0.831 -0.374
246 3HD2 LEU 44 3HD2 LEU 44 5.031 -0.017 -1.124
247 H SER 45 H SER 45 2.386 1.596 -6.175
248 HA SER 45 HA SER 45 4.491 2.952 -7.460
249 1HB SER 45 1HB SER 45 2.474 1.867 -8.540
250 2HB SER 45 2HB SER 45 1.485 3.152 -7.970
251 HG SER 45 HG SER 45 3.699 3.406 -9.765
252 H GLN 46 H GLN 46 1.592 4.278 -5.820
253 HA GLN 46 HA GLN 46 2.421 7.055 -6.031
254 1HB GLN 46 1HB GLN 46 0.158 5.480 -4.782
255 2HB GLN 46 2HB GLN 46 0.421 7.137 -4.252
256 1HG GLN 46 1HG GLN 46 -1.266 6.792 -6.112
257 2HG GLN 46 2HG GLN 46 -0.064 8.062 -6.323
258 1HE2 GLN 46 2HE2 GLN 46 -0.616 4.531 -7.277
259 2HE2 GLN 46 1HE2 GLN 46 0.025 4.848 -8.887
260 H CYS 47 H CYS 47 2.410 4.623 -3.417
261 HA CYS 47 HA CYS 47 3.058 6.592 -1.434
262 1HB CYS 47 1HB CYS 47 1.717 4.389 -1.239
263 2HB CYS 47 2HB CYS 47 3.274 3.574 -1.136
264 H TYR 48 H TYR 48 5.005 4.519 -3.432
265 HA TYR 48 HA TYR 48 7.496 5.433 -2.082
266 1HB TYR 48 1HB TYR 48 6.768 2.706 -3.046
267 2HB TYR 48 2HB TYR 48 8.434 3.234 -2.855
268 HD1 TYR 48 HD1 TYR 48 9.385 3.679 -0.627
269 HD2 TYR 48 HD2 TYR 48 5.403 2.173 -1.197
270 HE1 TYR 48 HE1 TYR 48 9.388 2.835 1.710
271 HE2 TYR 48 HE2 TYR 48 5.519 1.041 1.025
272 HH TYR 48 HH TYR 48 8.161 1.644 3.366
273 H GLY 49 H GLY 49 6.963 3.418 -4.878
274 1HA GLY 49 1HA GLY 49 8.768 4.808 -6.540
275 2HA GLY 49 2HA GLY 49 7.138 5.236 -7.059
276 H GLY 50 H GLY 50 6.922 2.089 -5.752
277 1HA GLY 50 1HA GLY 50 6.665 0.851 -8.360
278 2HA GLY 50 2HA GLY 50 6.427 0.137 -6.749
279 H CYS 51 H CYS 51 8.901 0.789 -5.658
280 HA CYS 51 HA CYS 51 10.913 0.034 -5.191
281 1HB CYS 51 1HB CYS 51 10.381 -2.118 -7.234
282 2HB CYS 51 2HB CYS 51 11.836 -2.015 -6.294
No H/Q in entry = 282
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 -9.218 -7.036 -2.589
2 H2 GLY 1 H2 GLY 1 -8.366 -8.419 -2.883
3 H3 GLY 1 H3 GLY 1 -9.018 -8.146 -1.384
4 1HA GLY 1 1HA GLY 1 -6.811 -6.716 -2.677
5 2HA GLY 1 2HA GLY 1 -6.725 -7.729 -1.224
6 H GLU 2 H GLU 2 -6.400 -6.447 0.464
7 HA GLU 2 HA GLU 2 -8.385 -4.625 1.371
8 1HB GLU 2 1HB GLU 2 -6.899 -4.325 3.276
9 2HB GLU 2 2HB GLU 2 -7.067 -6.038 2.862
10 1HG GLU 2 1HG GLU 2 -4.959 -5.669 1.432
11 2HG GLU 2 2HG GLU 2 -4.678 -4.214 2.365
12 H CYS 3 H CYS 3 -5.331 -4.262 -0.369
13 HA CYS 3 HA CYS 3 -5.054 -1.481 0.406
14 1HB CYS 3 1HB CYS 3 -3.129 -2.951 0.090
15 2HB CYS 3 2HB CYS 3 -3.567 -3.212 -1.599
16 H GLU 4 H GLU 4 -5.974 -3.316 -2.518
17 HA GLU 4 HA GLU 4 -6.770 -1.131 -4.180
18 1HB GLU 4 1HB GLU 4 -7.812 -3.973 -3.911
19 2HB GLU 4 2HB GLU 4 -8.390 -2.845 -5.141
20 1HG GLU 4 1HG GLU 4 -6.065 -2.626 -5.996
21 2HG GLU 4 2HG GLU 4 -5.537 -3.844 -4.844
22 H GLN 5 H GLN 5 -8.603 -2.915 -1.604
23 HA GLN 5 HA GLN 5 -11.022 -1.457 -2.094
24 1HB GLN 5 1HB GLN 5 -10.767 -3.726 -0.910
25 2HB GLN 5 2HB GLN 5 -10.144 -2.853 0.484
26 1HG GLN 5 1HG GLN 5 -12.541 -3.418 0.711
27 2HG GLN 5 2HG GLN 5 -12.251 -1.690 0.786
28 1HE2 GLN 5 2HE2 GLN 5 -13.723 -0.490 -0.366
29 2HE2 GLN 5 1HE2 GLN 5 -14.596 -1.046 -1.778
30 H CYS 6 H CYS 6 -8.273 -0.760 0.008
31 HA CYS 6 HA CYS 6 -9.557 1.535 1.202
32 1HB CYS 6 1HB CYS 6 -7.561 0.212 1.996
33 2HB CYS 6 2HB CYS 6 -6.595 1.094 0.833
34 H PHE 7 H PHE 7 -7.649 1.049 -1.817
35 HA PHE 7 HA PHE 7 -7.588 3.839 -2.556
36 1HB PHE 7 1HB PHE 7 -6.999 1.249 -3.838
37 2HB PHE 7 2HB PHE 7 -7.751 2.396 -4.930
38 HD1 PHE 7 HD1 PHE 7 -6.507 4.155 -5.903
39 HD2 PHE 7 HD2 PHE 7 -4.896 2.096 -2.434
40 HE1 PHE 7 HE1 PHE 7 -4.391 5.376 -6.164
41 HE2 PHE 7 HE2 PHE 7 -2.735 3.255 -2.827
42 HZ PHE 7 HZ PHE 7 -2.475 4.912 -4.617
43 H SER 8 H SER 8 -9.985 1.248 -3.112
44 HA SER 8 HA SER 8 -12.019 2.915 -4.274
45 1HB SER 8 1HB SER 8 -11.855 0.180 -3.029
46 2HB SER 8 2HB SER 8 -13.443 0.907 -3.274
47 HG SER 8 HG SER 8 -13.301 0.617 -5.269
48 H ASP 9 H ASP 9 -10.748 3.166 -1.145
49 HA ASP 9 HA ASP 9 -13.213 4.663 -0.348
50 1HB ASP 9 1HB ASP 9 -11.815 2.712 1.028
51 2HB ASP 9 2HB ASP 9 -11.041 4.138 1.624
52 H GLY 10 H GLY 10 -11.299 5.543 -2.324
53 1HA GLY 10 1HA GLY 10 -10.793 8.218 -1.374
54 2HA GLY 10 2HA GLY 10 -10.333 7.521 -2.941
55 H GLY 11 H GLY 11 -8.972 5.324 -1.072
56 1HA GLY 11 1HA GLY 11 -6.866 4.783 -0.594
57 2HA GLY 11 2HA GLY 11 -6.835 6.264 0.350
58 H ASP 12 H ASP 12 -4.812 7.005 -0.098
59 HA ASP 12 HA ASP 12 -3.815 7.043 -2.893
60 1HB ASP 12 1HB ASP 12 -2.451 9.065 -2.142
61 2HB ASP 12 2HB ASP 12 -4.122 9.276 -2.610
62 H CYS 13 H CYS 13 -2.277 7.957 0.145
63 HA CYS 13 HA CYS 13 -0.616 5.538 0.315
64 1HB CYS 13 1HB CYS 13 0.688 6.801 -1.227
65 2HB CYS 13 2HB CYS 13 0.298 8.314 -0.464
66 H THR 14 H THR 14 -0.895 8.952 1.524
67 HA THR 14 HA THR 14 -0.482 8.162 4.238
68 HB THR 14 HB THR 14 -1.907 10.650 3.245
69 HG1 THR 14 HG1 THR 14 0.666 9.770 2.981
70 1HG2 THR 14 1HG2 THR 14 -1.920 10.306 5.735
71 2HG2 THR 14 2HG2 THR 14 -0.147 10.222 5.704
72 3HG2 THR 14 3HG2 THR 14 -0.980 11.720 5.235
73 H THR 15 H THR 15 -3.625 8.692 2.366
74 HA THR 15 HA THR 15 -5.035 8.276 4.901
75 HB THR 15 HB THR 15 -5.556 9.885 3.009
76 HG1 THR 15 HG1 THR 15 -7.968 9.011 3.279
77 1HG2 THR 15 1HG2 THR 15 -5.612 8.072 1.185
78 2HG2 THR 15 2HG2 THR 15 -7.249 7.746 1.766
79 3HG2 THR 15 3HG2 THR 15 -6.828 9.352 1.151
80 H CYS 16 H CYS 16 -3.447 5.999 4.057
81 HA CYS 16 HA CYS 16 -5.477 3.863 4.450
82 1HB CYS 16 1HB CYS 16 -3.642 4.043 2.059
83 2HB CYS 16 2HB CYS 16 -4.216 2.480 2.635
84 H PHE 17 H PHE 17 -1.931 4.748 4.345
85 HA PHE 17 HA PHE 17 -1.034 2.469 5.520
86 1HB PHE 17 1HB PHE 17 0.380 4.269 4.623
87 2HB PHE 17 2HB PHE 17 -0.018 5.283 6.005
88 HD1 PHE 17 HD1 PHE 17 1.141 1.780 5.459
89 HD2 PHE 17 HD2 PHE 17 1.767 5.435 7.620
90 HE1 PHE 17 HE1 PHE 17 3.032 0.701 6.723
91 HE2 PHE 17 HE2 PHE 17 3.684 4.367 8.817
92 HZ PHE 17 HZ PHE 17 4.324 2.024 8.322
93 H ASN 18 H ASN 18 -2.625 5.084 7.404
94 HA ASN 18 HA ASN 18 -3.281 5.269 9.501
95 1HB ASN 18 1HB ASN 18 -4.056 2.759 8.752
96 2HB ASN 18 2HB ASN 18 -3.124 2.402 10.201
97 1HD2 ASN 18 2HD2 ASN 18 -6.160 2.733 9.246
98 2HD2 ASN 18 1HD2 ASN 18 -6.917 3.545 10.585
99 H ASN 19 H ASN 19 -0.294 4.710 8.895
100 HA ASN 19 HA ASN 19 1.685 4.655 9.940
101 1HB ASN 19 1HB ASN 19 0.755 6.434 11.452
102 2HB ASN 19 2HB ASN 19 0.512 5.153 12.651
103 1HD2 ASN 19 2HD2 ASN 19 2.964 7.111 10.921
104 2HD2 ASN 19 1HD2 ASN 19 4.321 6.421 11.779
105 H GLY 20 H GLY 20 0.958 2.455 9.065
106 1HA GLY 20 1HA GLY 20 2.468 0.730 10.788
107 2HA GLY 20 2HA GLY 20 2.027 0.470 9.132
108 H THR 21 H THR 21 -0.881 1.090 10.663
109 HA THR 21 HA THR 21 -1.545 -1.781 11.049
110 HB THR 21 HB THR 21 -3.346 -0.660 12.538
111 HG1 THR 21 HG1 THR 21 -2.734 1.454 13.215
112 1HG2 THR 21 1HG2 THR 21 -1.362 -1.868 13.420
113 2HG2 THR 21 2HG2 THR 21 -0.403 -0.372 13.331
114 3HG2 THR 21 3HG2 THR 21 -1.787 -0.496 14.433
115 H GLY 22 H GLY 22 -1.803 0.527 8.730
116 1HA GLY 22 1HA GLY 22 -3.191 0.981 7.049
117 2HA GLY 22 2HA GLY 22 -4.574 0.376 7.978
118 HA PRO 23 HA PRO 23 -4.576 -3.098 5.284
119 1HB PRO 23 1HB PRO 23 -5.455 -2.213 2.816
120 2HB PRO 23 2HB PRO 23 -6.481 -2.363 4.277
121 1HG PRO 23 1HG PRO 23 -5.347 0.084 3.013
122 2HG PRO 23 2HG PRO 23 -6.853 -0.135 3.976
123 1HD PRO 23 1HD PRO 23 -4.421 0.925 4.850
124 2HD PRO 23 2HD PRO 23 -5.778 0.439 5.880
125 H CYS 24 H CYS 24 -3.322 -0.569 3.019
126 HA CYS 24 HA CYS 24 -0.967 -2.208 2.352
127 1HB CYS 24 1HB CYS 24 -2.192 0.246 1.260
128 2HB CYS 24 2HB CYS 24 -0.466 0.388 1.484
129 H ALA 25 H ALA 25 -0.556 -2.466 4.660
130 HA ALA 25 HA ALA 25 1.245 -0.270 5.587
131 1HB ALA 25 1HB ALA 25 0.865 -1.005 7.878
132 2HB ALA 25 2HB ALA 25 -0.341 -2.189 7.321
133 3HB ALA 25 3HB ALA 25 -0.632 -0.440 7.098
134 H ASN 26 H ASN 26 0.790 -3.849 5.934
135 HA ASN 26 HA ASN 26 3.630 -4.203 6.213
136 1HB ASN 26 1HB ASN 26 3.136 -6.612 5.921
137 2HB ASN 26 2HB ASN 26 2.055 -5.850 7.089
138 1HD2 ASN 26 2HD2 ASN 26 2.216 -7.292 3.786
139 2HD2 ASN 26 1HD2 ASN 26 0.462 -7.322 3.617
140 H CYS 27 H CYS 27 1.742 -3.539 3.391
141 HA CYS 27 HA CYS 27 3.714 -4.557 1.468
142 1HB CYS 27 1HB CYS 27 1.522 -2.540 0.966
143 2HB CYS 27 2HB CYS 27 2.663 -3.206 -0.150
144 H LEU 28 H LEU 28 4.257 -2.399 3.980
145 HA LEU 28 HA LEU 28 5.800 -0.541 2.261
146 1HB LEU 28 1HB LEU 28 4.874 -0.151 5.144
147 2HB LEU 28 2HB LEU 28 5.867 0.916 4.233
148 HG LEU 28 HG LEU 28 3.084 0.947 4.440
149 1HD1 LEU 28 1HD1 LEU 28 4.581 2.852 4.186
150 2HD1 LEU 28 2HD1 LEU 28 4.883 2.397 2.488
151 3HD1 LEU 28 3HD1 LEU 28 3.262 2.930 3.011
152 1HD2 LEU 28 1HD2 LEU 28 3.722 0.329 1.564
153 2HD2 LEU 28 2HD2 LEU 28 2.676 -0.633 2.671
154 3HD2 LEU 28 3HD2 LEU 28 2.176 0.952 2.241
155 H ALA 29 H ALA 29 6.140 -1.877 5.582
156 HA ALA 29 HA ALA 29 8.903 -1.227 5.640
157 1HB ALA 29 1HB ALA 29 8.877 -2.564 7.741
158 2HB ALA 29 2HB ALA 29 7.572 -1.373 7.661
159 3HB ALA 29 3HB ALA 29 7.210 -3.088 7.371
160 H GLY 30 H GLY 30 7.634 -4.598 5.936
161 1HA GLY 30 1HA GLY 30 8.662 -6.568 5.253
162 2HA GLY 30 2HA GLY 30 9.968 -5.649 4.477
163 H TYR 31 H TYR 31 9.260 -4.250 2.556
164 HA TYR 31 HA TYR 31 7.156 -5.715 0.985
165 1HB TYR 31 1HB TYR 31 6.481 -3.763 0.143
166 2HB TYR 31 2HB TYR 31 6.916 -3.264 1.746
167 HD1 TYR 31 HD1 TYR 31 6.437 -1.611 -0.692
168 HD2 TYR 31 HD2 TYR 31 10.062 -3.239 0.832
169 HE1 TYR 31 HE1 TYR 31 7.705 0.087 -2.061
170 HE2 TYR 31 HE2 TYR 31 11.365 -1.473 -0.364
171 HH TYR 31 HH TYR 31 11.235 0.450 -1.829
172 HA PRO 32 HA PRO 32 11.187 -5.772 -1.347
173 1HB PRO 32 1HB PRO 32 12.121 -8.381 -1.154
174 2HB PRO 32 2HB PRO 32 12.569 -7.037 -0.062
175 1HG PRO 32 1HG PRO 32 10.469 -9.170 0.376
176 2HG PRO 32 2HG PRO 32 11.682 -8.506 1.528
177 1HD PRO 32 1HD PRO 32 9.063 -7.697 1.491
178 2HD PRO 32 2HD PRO 32 10.425 -6.613 1.915
179 H ALA 33 H ALA 33 8.372 -7.672 -1.276
180 HA ALA 33 HA ALA 33 8.512 -8.398 -4.155
181 1HB ALA 33 1HB ALA 33 6.885 -10.143 -3.603
182 2HB ALA 33 2HB ALA 33 8.325 -10.327 -2.576
183 3HB ALA 33 3HB ALA 33 6.825 -9.593 -1.918
184 H GLY 34 H GLY 34 7.389 -5.937 -2.253
185 1HA GLY 34 1HA GLY 34 5.608 -4.516 -2.258
186 2HA GLY 34 2HA GLY 34 4.603 -5.948 -2.414
187 H CYS 35 H CYS 35 6.935 -4.444 -4.711
188 HA CYS 35 HA CYS 35 5.097 -3.422 -6.573
189 1HB CYS 35 1HB CYS 35 7.762 -4.723 -7.157
190 2HB CYS 35 2HB CYS 35 6.948 -3.538 -8.161
191 H SER 36 H SER 36 5.772 -6.798 -5.950
192 HA SER 36 HA SER 36 4.775 -7.609 -8.589
193 1HB SER 36 1HB SER 36 6.837 -8.619 -7.496
194 2HB SER 36 2HB SER 36 5.748 -9.362 -6.309
195 HG SER 36 HG SER 36 6.231 -10.729 -8.096
196 H ASN 37 H ASN 37 3.817 -7.086 -5.318
197 HA ASN 37 HA ASN 37 1.551 -8.951 -5.237
198 1HB ASN 37 1HB ASN 37 3.002 -7.293 -3.321
199 2HB ASN 37 2HB ASN 37 1.339 -6.835 -3.256
200 1HD2 ASN 37 2HD2 ASN 37 -0.137 -8.933 -3.466
201 2HD2 ASN 37 1HD2 ASN 37 0.101 -9.937 -2.052
202 H SER 38 H SER 38 0.381 -8.310 -7.170
203 HA SER 38 HA SER 38 -0.224 -5.783 -8.063
204 1HB SER 38 1HB SER 38 -1.897 -8.210 -8.199
205 2HB SER 38 2HB SER 38 -2.019 -6.781 -9.238
206 HG SER 38 HG SER 38 -0.464 -7.541 -10.385
207 H ASP 39 H ASP 39 -1.713 -7.248 -5.170
208 HA ASP 39 HA ASP 39 -4.005 -5.468 -5.002
209 1HB ASP 39 1HB ASP 39 -3.756 -7.532 -3.671
210 2HB ASP 39 2HB ASP 39 -2.371 -6.846 -2.834
211 H CYS 40 H CYS 40 -0.568 -5.184 -4.189
212 HA CYS 40 HA CYS 40 -0.968 -2.621 -2.749
213 1HB CYS 40 1HB CYS 40 1.181 -4.772 -2.679
214 2HB CYS 40 2HB CYS 40 1.423 -3.213 -1.928
215 H THR 41 H THR 41 0.276 -3.977 -5.644
216 HA THR 41 HA THR 41 2.514 -2.596 -6.225
217 HB THR 41 HB THR 41 0.165 -3.608 -7.828
218 HG1 THR 41 HG1 THR 41 1.815 -4.904 -6.657
219 1HG2 THR 41 1HG2 THR 41 1.249 -1.881 -9.313
220 2HG2 THR 41 2HG2 THR 41 2.727 -2.850 -9.222
221 3HG2 THR 41 3HG2 THR 41 1.222 -3.578 -9.870
222 H ALA 42 H ALA 42 -0.831 -1.354 -7.012
223 HA ALA 42 HA ALA 42 0.327 0.998 -8.265
224 1HB ALA 42 1HB ALA 42 -1.795 0.180 -9.098
225 2HB ALA 42 2HB ALA 42 -2.052 1.785 -8.373
226 3HB ALA 42 3HB ALA 42 -2.521 0.342 -7.485
227 H PHE 43 H PHE 43 -0.766 0.232 -5.019
228 HA PHE 43 HA PHE 43 -0.745 2.957 -4.023
229 1HB PHE 43 1HB PHE 43 -1.796 1.202 -2.717
230 2HB PHE 43 2HB PHE 43 -0.309 0.262 -2.692
231 HD1 PHE 43 HD1 PHE 43 1.720 1.207 -1.557
232 HD2 PHE 43 HD2 PHE 43 -2.231 2.530 -0.756
233 HE1 PHE 43 HE1 PHE 43 2.543 2.274 0.509
234 HE2 PHE 43 HE2 PHE 43 -1.481 3.482 1.416
235 HZ PHE 43 HZ PHE 43 0.957 3.341 2.032
236 H LEU 44 H LEU 44 1.738 0.287 -3.853
237 HA LEU 44 HA LEU 44 3.733 1.996 -2.961
238 1HB LEU 44 1HB LEU 44 4.033 -0.551 -4.595
239 2HB LEU 44 2HB LEU 44 5.301 0.185 -3.615
240 HG LEU 44 HG LEU 44 2.656 -0.893 -2.516
241 1HD1 LEU 44 1HD1 LEU 44 5.427 -2.082 -2.683
242 2HD1 LEU 44 2HD1 LEU 44 4.148 -2.695 -1.612
243 3HD1 LEU 44 3HD1 LEU 44 3.904 -2.681 -3.364
244 1HD2 LEU 44 1HD2 LEU 44 3.733 0.999 -1.137
245 2HD2 LEU 44 2HD2 LEU 44 3.341 -0.525 -0.386
246 3HD2 LEU 44 3HD2 LEU 44 5.019 -0.145 -0.841
247 H SER 45 H SER 45 2.939 1.295 -6.360
248 HA SER 45 HA SER 45 5.006 2.582 -7.718
249 1HB SER 45 1HB SER 45 2.013 2.188 -8.054
250 2HB SER 45 2HB SER 45 2.943 2.908 -9.308
251 HG SER 45 HG SER 45 3.419 0.317 -8.262
252 H GLN 46 H GLN 46 2.452 3.963 -5.733
253 HA GLN 46 HA GLN 46 3.202 6.742 -6.482
254 1HB GLN 46 1HB GLN 46 0.791 5.480 -5.143
255 2HB GLN 46 2HB GLN 46 1.064 7.214 -5.096
256 1HG GLN 46 1HG GLN 46 1.063 7.375 -7.515
257 2HG GLN 46 2HG GLN 46 1.100 5.634 -7.713
258 1HE2 GLN 46 2HE2 GLN 46 -0.835 4.374 -6.901
259 2HE2 GLN 46 1HE2 GLN 46 -2.393 5.155 -7.140
260 H CYS 47 H CYS 47 2.586 4.884 -3.459
261 HA CYS 47 HA CYS 47 3.764 6.777 -1.736
262 1HB CYS 47 1HB CYS 47 2.126 4.695 -1.433
263 2HB CYS 47 2HB CYS 47 3.622 3.863 -0.981
264 H TYR 48 H TYR 48 5.429 4.553 -3.734
265 HA TYR 48 HA TYR 48 8.019 5.034 -2.329
266 1HB TYR 48 1HB TYR 48 6.928 2.436 -3.334
267 2HB TYR 48 2HB TYR 48 8.629 2.757 -3.318
268 HD1 TYR 48 HD1 TYR 48 9.827 3.279 -1.161
269 HD2 TYR 48 HD2 TYR 48 5.721 2.035 -1.324
270 HE1 TYR 48 HE1 TYR 48 10.000 2.451 1.169
271 HE2 TYR 48 HE2 TYR 48 5.892 1.077 0.931
272 HH TYR 48 HH TYR 48 8.085 0.242 2.493
273 H GLY 49 H GLY 49 6.184 5.015 -5.284
274 1HA GLY 49 1HA GLY 49 8.510 5.905 -6.875
275 2HA GLY 49 2HA GLY 49 6.826 5.928 -7.376
276 H GLY 50 H GLY 50 7.469 2.981 -5.889
277 1HA GLY 50 1HA GLY 50 8.114 1.539 -8.414
278 2HA GLY 50 2HA GLY 50 7.420 0.824 -6.951
279 H CYS 51 H CYS 51 8.879 -0.412 -5.938
280 HA CYS 51 HA CYS 51 11.501 0.232 -5.128
281 1HB CYS 51 1HB CYS 51 11.631 -2.126 -4.695
282 2HB CYS 51 2HB CYS 51 10.068 -1.520 -4.159
No H/Q in entry = 282
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 -8.371 -8.844 -0.307
2 H2 GLY 1 H2 GLY 1 -9.909 -8.561 -0.802
3 H3 GLY 1 H3 GLY 1 -8.802 -9.191 -1.863
4 1HA GLY 1 1HA GLY 1 -9.201 -6.857 -2.301
5 2HA GLY 1 2HA GLY 1 -7.531 -7.191 -1.801
6 H GLU 2 H GLU 2 -6.717 -6.026 -0.183
7 HA GLU 2 HA GLU 2 -8.560 -4.604 1.664
8 1HB GLU 2 1HB GLU 2 -6.809 -4.703 3.348
9 2HB GLU 2 2HB GLU 2 -7.439 -6.281 2.876
10 1HG GLU 2 1HG GLU 2 -5.262 -5.912 1.196
11 2HG GLU 2 2HG GLU 2 -4.699 -5.211 2.715
12 H CYS 3 H CYS 3 -5.278 -4.442 0.209
13 HA CYS 3 HA CYS 3 -4.982 -1.674 0.704
14 1HB CYS 3 1HB CYS 3 -3.123 -3.258 0.331
15 2HB CYS 3 2HB CYS 3 -3.643 -3.491 -1.340
16 H GLU 4 H GLU 4 -5.842 -3.450 -2.353
17 HA GLU 4 HA GLU 4 -6.556 -1.195 -3.854
18 1HB GLU 4 1HB GLU 4 -7.653 -4.036 -3.854
19 2HB GLU 4 2HB GLU 4 -8.096 -2.826 -5.068
20 1HG GLU 4 1HG GLU 4 -5.654 -2.546 -5.604
21 2HG GLU 4 2HG GLU 4 -5.292 -3.799 -4.447
22 H GLN 5 H GLN 5 -8.565 -2.839 -1.359
23 HA GLN 5 HA GLN 5 -10.942 -1.417 -2.132
24 1HB GLN 5 1HB GLN 5 -10.702 -3.664 -0.816
25 2HB GLN 5 2HB GLN 5 -10.462 -2.647 0.596
26 1HG GLN 5 1HG GLN 5 -12.751 -3.243 0.588
27 2HG GLN 5 2HG GLN 5 -12.742 -1.568 0.050
28 1HE2 GLN 5 2HE2 GLN 5 -13.001 -1.204 -2.387
29 2HE2 GLN 5 1HE2 GLN 5 -13.766 -2.435 -3.355
30 H CYS 6 H CYS 6 -8.297 -0.631 0.035
31 HA CYS 6 HA CYS 6 -9.586 1.696 1.236
32 1HB CYS 6 1HB CYS 6 -7.559 0.476 2.056
33 2HB CYS 6 2HB CYS 6 -6.636 1.196 0.745
34 H PHE 7 H PHE 7 -7.499 1.076 -1.609
35 HA PHE 7 HA PHE 7 -7.345 3.782 -2.508
36 1HB PHE 7 1HB PHE 7 -6.519 1.163 -3.443
37 2HB PHE 7 2HB PHE 7 -7.322 2.011 -4.744
38 HD1 PHE 7 HD1 PHE 7 -5.592 2.663 -6.187
39 HD2 PHE 7 HD2 PHE 7 -5.025 3.263 -1.971
40 HE1 PHE 7 HE1 PHE 7 -3.594 4.029 -6.645
41 HE2 PHE 7 HE2 PHE 7 -3.044 4.640 -2.426
42 HZ PHE 7 HZ PHE 7 -2.323 5.091 -4.735
43 H SER 8 H SER 8 -9.836 1.223 -3.096
44 HA SER 8 HA SER 8 -11.427 2.702 -4.850
45 1HB SER 8 1HB SER 8 -12.548 0.921 -2.660
46 2HB SER 8 2HB SER 8 -13.218 1.224 -4.266
47 HG SER 8 HG SER 8 -11.269 0.165 -5.092
48 H ASP 9 H ASP 9 -11.027 3.227 -1.386
49 HA ASP 9 HA ASP 9 -13.362 5.084 -1.405
50 1HB ASP 9 1HB ASP 9 -13.477 2.861 -0.068
51 2HB ASP 9 2HB ASP 9 -12.432 3.662 1.085
52 H GLY 10 H GLY 10 -10.766 5.808 -2.274
53 1HA GLY 10 1HA GLY 10 -10.505 8.110 -0.418
54 2HA GLY 10 2HA GLY 10 -10.254 8.119 -2.157
55 H GLY 11 H GLY 11 -8.609 5.398 -1.226
56 1HA GLY 11 1HA GLY 11 -6.384 4.941 -0.886
57 2HA GLY 11 2HA GLY 11 -6.343 6.415 0.085
58 H ASP 12 H ASP 12 -4.486 7.348 -0.561
59 HA ASP 12 HA ASP 12 -3.797 7.515 -3.475
60 1HB ASP 12 1HB ASP 12 -4.555 9.712 -2.582
61 2HB ASP 12 2HB ASP 12 -3.233 9.634 -1.421
62 H CYS 13 H CYS 13 -2.624 7.632 -0.163
63 HA CYS 13 HA CYS 13 -0.850 5.531 -0.202
64 1HB CYS 13 1HB CYS 13 0.774 6.704 -1.521
65 2HB CYS 13 2HB CYS 13 0.418 8.206 -0.712
66 H THR 14 H THR 14 -0.540 8.841 1.078
67 HA THR 14 HA THR 14 0.067 8.242 3.665
68 HB THR 14 HB THR 14 -1.472 10.580 2.475
69 HG1 THR 14 HG1 THR 14 0.718 10.398 1.836
70 1HG2 THR 14 1HG2 THR 14 -0.331 10.343 5.293
71 2HG2 THR 14 2HG2 THR 14 -0.851 11.855 4.513
72 3HG2 THR 14 3HG2 THR 14 -2.034 10.598 4.852
73 H THR 15 H THR 15 -3.278 8.708 2.453
74 HA THR 15 HA THR 15 -4.353 8.162 5.074
75 HB THR 15 HB THR 15 -4.833 9.854 2.978
76 HG1 THR 15 HG1 THR 15 -7.011 9.922 4.310
77 1HG2 THR 15 1HG2 THR 15 -6.056 8.171 1.610
78 2HG2 THR 15 2HG2 THR 15 -7.326 8.236 2.860
79 3HG2 THR 15 3HG2 THR 15 -6.882 9.691 1.968
80 H CYS 16 H CYS 16 -3.027 5.907 3.968
81 HA CYS 16 HA CYS 16 -5.160 3.915 4.571
82 1HB CYS 16 1HB CYS 16 -3.295 3.617 2.229
83 2HB CYS 16 2HB CYS 16 -4.226 2.335 2.958
84 H PHE 17 H PHE 17 -1.662 4.925 4.544
85 HA PHE 17 HA PHE 17 -0.803 2.382 5.472
86 1HB PHE 17 1HB PHE 17 0.778 4.068 4.637
87 2HB PHE 17 2HB PHE 17 0.408 5.124 5.998
88 HD1 PHE 17 HD1 PHE 17 2.368 5.242 7.348
89 HD2 PHE 17 HD2 PHE 17 1.100 1.445 5.818
90 HE1 PHE 17 HE1 PHE 17 4.170 4.119 8.633
91 HE2 PHE 17 HE2 PHE 17 2.922 0.291 7.100
92 HZ PHE 17 HZ PHE 17 4.447 1.663 8.513
93 H ASN 18 H ASN 18 -2.496 4.942 7.156
94 HA ASN 18 HA ASN 18 -3.050 5.360 9.276
95 1HB ASN 18 1HB ASN 18 -4.212 3.148 8.543
96 2HB ASN 18 2HB ASN 18 -3.038 2.384 9.640
97 1HD2 ASN 18 2HD2 ASN 18 -5.206 1.673 10.675
98 2HD2 ASN 18 1HD2 ASN 18 -5.910 2.806 11.818
99 H ASN 19 H ASN 19 -0.131 4.718 8.776
100 HA ASN 19 HA ASN 19 1.819 4.574 9.814
101 1HB ASN 19 1HB ASN 19 1.098 6.520 10.986
102 2HB ASN 19 2HB ASN 19 0.232 5.547 12.152
103 1HD2 ASN 19 2HD2 ASN 19 1.194 5.545 14.068
104 2HD2 ASN 19 1HD2 ASN 19 2.909 5.522 14.379
105 H GLY 20 H GLY 20 1.064 2.318 9.166
106 1HA GLY 20 1HA GLY 20 2.481 0.654 11.035
107 2HA GLY 20 2HA GLY 20 1.934 0.231 9.428
108 H THR 21 H THR 21 -0.895 0.982 10.016
109 HA THR 21 HA THR 21 -1.784 -1.543 11.106
110 HB THR 21 HB THR 21 -1.291 -0.534 13.126
111 HG1 THR 21 HG1 THR 21 -2.943 -1.267 13.968
112 1HG2 THR 21 1HG2 THR 21 -3.051 1.691 12.181
113 2HG2 THR 21 2HG2 THR 21 -2.450 1.522 13.859
114 3HG2 THR 21 3HG2 THR 21 -1.311 1.742 12.519
115 H GLY 22 H GLY 22 -1.922 -0.561 8.552
116 1HA GLY 22 1HA GLY 22 -3.580 0.940 7.305
117 2HA GLY 22 2HA GLY 22 -4.800 -0.066 8.096
118 HA PRO 23 HA PRO 23 -4.712 -3.100 5.218
119 1HB PRO 23 1HB PRO 23 -5.513 -2.142 2.731
120 2HB PRO 23 2HB PRO 23 -6.562 -2.507 4.120
121 1HG PRO 23 1HG PRO 23 -5.735 0.117 3.072
122 2HG PRO 23 2HG PRO 23 -7.102 -0.284 4.154
123 1HD PRO 23 1HD PRO 23 -4.557 0.839 4.713
124 2HD PRO 23 2HD PRO 23 -5.811 0.487 5.901
125 H CYS 24 H CYS 24 -3.198 -0.516 3.140
126 HA CYS 24 HA CYS 24 -0.984 -2.411 2.507
127 1HB CYS 24 1HB CYS 24 -1.771 0.214 1.334
128 2HB CYS 24 2HB CYS 24 -0.082 -0.029 1.626
129 H ALA 25 H ALA 25 -0.467 -2.748 4.671
130 HA ALA 25 HA ALA 25 1.296 -0.591 5.722
131 1HB ALA 25 1HB ALA 25 0.919 -1.456 8.007
132 2HB ALA 25 2HB ALA 25 -0.328 -2.545 7.354
133 3HB ALA 25 3HB ALA 25 -0.546 -0.770 7.252
134 H ASN 26 H ASN 26 0.734 -4.143 5.518
135 HA ASN 26 HA ASN 26 3.448 -4.607 6.358
136 1HB ASN 26 1HB ASN 26 1.366 -6.452 5.083
137 2HB ASN 26 2HB ASN 26 2.917 -7.001 5.712
138 1HD2 ASN 26 2HD2 ASN 26 2.731 -7.871 7.810
139 2HD2 ASN 26 1HD2 ASN 26 1.420 -7.435 8.890
140 H CYS 27 H CYS 27 1.782 -4.093 3.337
141 HA CYS 27 HA CYS 27 3.960 -4.736 1.526
142 1HB CYS 27 1HB CYS 27 1.683 -2.788 0.954
143 2HB CYS 27 2HB CYS 27 2.845 -3.464 -0.131
144 H LEU 28 H LEU 28 4.142 -2.588 4.040
145 HA LEU 28 HA LEU 28 5.788 -0.630 2.516
146 1HB LEU 28 1HB LEU 28 4.504 -0.363 5.273
147 2HB LEU 28 2HB LEU 28 5.472 0.803 4.525
148 HG LEU 28 HG LEU 28 2.711 0.617 4.497
149 1HD1 LEU 28 1HD1 LEU 28 4.033 2.634 4.450
150 2HD1 LEU 28 2HD1 LEU 28 4.494 2.320 2.761
151 3HD1 LEU 28 3HD1 LEU 28 2.798 2.672 3.183
152 1HD2 LEU 28 1HD2 LEU 28 3.539 0.126 1.653
153 2HD2 LEU 28 2HD2 LEU 28 2.497 -0.914 2.684
154 3HD2 LEU 28 3HD2 LEU 28 1.938 0.660 2.266
155 H ALA 29 H ALA 29 5.541 -2.066 5.771
156 HA ALA 29 HA ALA 29 8.131 -1.367 6.492
157 1HB ALA 29 1HB ALA 29 7.725 -2.758 8.471
158 2HB ALA 29 2HB ALA 29 6.372 -3.562 7.650
159 3HB ALA 29 3HB ALA 29 6.284 -1.822 8.045
160 H GLY 30 H GLY 30 7.246 -4.134 4.638
161 1HA GLY 30 1HA GLY 30 8.999 -6.152 5.077
162 2HA GLY 30 2HA GLY 30 10.057 -4.881 4.440
163 H TYR 31 H TYR 31 9.449 -3.873 2.322
164 HA TYR 31 HA TYR 31 7.434 -5.492 0.791
165 1HB TYR 31 1HB TYR 31 6.683 -3.570 0.045
166 2HB TYR 31 2HB TYR 31 7.215 -3.013 1.607
167 HD1 TYR 31 HD1 TYR 31 10.288 -2.998 0.464
168 HD2 TYR 31 HD2 TYR 31 6.528 -1.277 -0.571
169 HE1 TYR 31 HE1 TYR 31 11.472 -1.226 -0.744
170 HE2 TYR 31 HE2 TYR 31 7.637 0.611 -1.766
171 HH TYR 31 HH TYR 31 11.278 0.687 -2.036
172 HA PRO 32 HA PRO 32 11.357 -5.555 -1.715
173 1HB PRO 32 1HB PRO 32 12.583 -7.998 -1.281
174 2HB PRO 32 2HB PRO 32 12.838 -6.594 -0.216
175 1HG PRO 32 1HG PRO 32 10.872 -8.876 0.160
176 2HG PRO 32 2HG PRO 32 12.037 -8.186 1.352
177 1HD PRO 32 1HD PRO 32 9.418 -7.449 1.290
178 2HD PRO 32 2HD PRO 32 10.729 -6.304 1.699
179 H ALA 33 H ALA 33 8.556 -7.329 -1.418
180 HA ALA 33 HA ALA 33 8.731 -8.466 -4.145
181 1HB ALA 33 1HB ALA 33 7.178 -10.240 -3.418
182 2HB ALA 33 2HB ALA 33 8.690 -10.299 -2.493
183 3HB ALA 33 3HB ALA 33 7.215 -9.599 -1.761
184 H GLY 34 H GLY 34 7.380 -5.924 -2.374
185 1HA GLY 34 1HA GLY 34 5.286 -4.872 -2.357
186 2HA GLY 34 2HA GLY 34 4.588 -6.406 -2.837
187 H CYS 35 H CYS 35 7.035 -4.703 -4.775
188 HA CYS 35 HA CYS 35 5.391 -3.647 -6.773
189 1HB CYS 35 1HB CYS 35 8.094 -4.993 -7.147
190 2HB CYS 35 2HB CYS 35 7.427 -3.708 -8.146
191 H SER 36 H SER 36 6.082 -7.097 -6.101
192 HA SER 36 HA SER 36 5.176 -7.855 -8.728
193 1HB SER 36 1HB SER 36 5.802 -9.976 -8.093
194 2HB SER 36 2HB SER 36 7.024 -8.960 -7.378
195 HG SER 36 HG SER 36 5.846 -9.182 -5.371
196 H ASN 37 H ASN 37 3.888 -7.415 -5.466
197 HA ASN 37 HA ASN 37 1.483 -9.019 -5.882
198 1HB ASN 37 1HB ASN 37 2.841 -7.748 -3.573
199 2HB ASN 37 2HB ASN 37 1.140 -7.381 -3.575
200 1HD2 ASN 37 2HD2 ASN 37 -0.421 -8.916 -3.006
201 2HD2 ASN 37 1HD2 ASN 37 -0.008 -10.589 -2.809
202 H SER 38 H SER 38 0.264 -8.074 -7.566
203 HA SER 38 HA SER 38 0.217 -5.374 -8.156
204 1HB SER 38 1HB SER 38 -1.333 -7.700 -8.986
205 2HB SER 38 2HB SER 38 -2.270 -6.205 -9.061
206 HG SER 38 HG SER 38 0.386 -6.399 -10.070
207 H ASP 39 H ASP 39 -1.971 -6.997 -5.875
208 HA ASP 39 HA ASP 39 -3.823 -5.077 -5.245
209 1HB ASP 39 1HB ASP 39 -3.786 -7.294 -4.291
210 2HB ASP 39 2HB ASP 39 -2.259 -6.978 -3.483
211 H CYS 40 H CYS 40 -0.441 -5.169 -4.336
212 HA CYS 40 HA CYS 40 -0.690 -2.782 -2.600
213 1HB CYS 40 1HB CYS 40 1.340 -5.050 -2.765
214 2HB CYS 40 2HB CYS 40 1.683 -3.534 -1.923
215 H THR 41 H THR 41 1.102 -4.113 -5.406
216 HA THR 41 HA THR 41 2.950 -2.231 -6.003
217 HB THR 41 HB THR 41 0.883 -3.566 -7.778
218 HG1 THR 41 HG1 THR 41 2.735 -4.704 -6.364
219 1HG2 THR 41 1HG2 THR 41 2.055 -1.793 -9.042
220 2HG2 THR 41 2HG2 THR 41 3.587 -2.632 -8.697
221 3HG2 THR 41 3HG2 THR 41 2.304 -3.450 -9.635
222 H ALA 42 H ALA 42 -0.592 -1.999 -6.804
223 HA ALA 42 HA ALA 42 -0.258 0.327 -8.373
224 1HB ALA 42 1HB ALA 42 -2.212 -1.146 -8.554
225 2HB ALA 42 2HB ALA 42 -2.676 0.537 -8.211
226 3HB ALA 42 3HB ALA 42 -2.738 -0.670 -6.911
227 H PHE 43 H PHE 43 -0.823 -0.025 -4.898
228 HA PHE 43 HA PHE 43 -1.130 2.831 -4.361
229 1HB PHE 43 1HB PHE 43 -2.217 1.405 -2.841
230 2HB PHE 43 2HB PHE 43 -0.870 0.308 -2.771
231 HD1 PHE 43 HD1 PHE 43 1.216 0.843 -1.567
232 HD2 PHE 43 HD2 PHE 43 -2.481 2.933 -0.964
233 HE1 PHE 43 HE1 PHE 43 2.122 1.806 0.511
234 HE2 PHE 43 HE2 PHE 43 -1.620 3.735 1.219
235 HZ PHE 43 HZ PHE 43 0.656 3.134 1.990
236 H LEU 44 H LEU 44 1.436 0.276 -3.719
237 HA LEU 44 HA LEU 44 3.235 1.972 -2.776
238 1HB LEU 44 1HB LEU 44 3.910 -0.449 -4.502
239 2HB LEU 44 2HB LEU 44 5.006 0.370 -3.443
240 HG LEU 44 HG LEU 44 2.550 -1.171 -2.510
241 1HD1 LEU 44 1HD1 LEU 44 4.235 -2.594 -3.596
242 2HD1 LEU 44 2HD1 LEU 44 5.490 -1.910 -2.560
243 3HD1 LEU 44 3HD1 LEU 44 4.183 -2.861 -1.832
244 1HD2 LEU 44 1HD2 LEU 44 3.331 0.746 -1.027
245 2HD2 LEU 44 2HD2 LEU 44 3.263 -0.869 -0.343
246 3HD2 LEU 44 3HD2 LEU 44 4.817 -0.158 -0.831
247 H SER 45 H SER 45 2.588 1.501 -6.144
248 HA SER 45 HA SER 45 4.623 2.697 -7.568
249 1HB SER 45 1HB SER 45 2.473 1.635 -8.409
250 2HB SER 45 2HB SER 45 1.598 3.046 -7.974
251 HG SER 45 HG SER 45 2.967 4.209 -9.529
252 H GLN 46 H GLN 46 1.857 4.378 -5.989
253 HA GLN 46 HA GLN 46 3.076 7.022 -6.464
254 1HB GLN 46 1HB GLN 46 0.494 6.060 -5.135
255 2HB GLN 46 2HB GLN 46 0.994 7.728 -5.113
256 1HG GLN 46 1HG GLN 46 -0.311 7.762 -7.015
257 2HG GLN 46 2HG GLN 46 1.268 7.462 -7.721
258 1HE2 GLN 46 2HE2 GLN 46 -1.289 5.498 -6.206
259 2HE2 GLN 46 1HE2 GLN 46 -1.083 4.121 -7.277
260 H CYS 47 H CYS 47 2.486 4.786 -3.764
261 HA CYS 47 HA CYS 47 3.075 6.714 -1.805
262 1HB CYS 47 1HB CYS 47 1.816 4.427 -1.670
263 2HB CYS 47 2HB CYS 47 3.404 3.732 -1.304
264 H TYR 48 H TYR 48 5.230 4.533 -3.476
265 HA TYR 48 HA TYR 48 7.554 5.557 -1.886
266 1HB TYR 48 1HB TYR 48 7.088 2.781 -2.957
267 2HB TYR 48 2HB TYR 48 8.628 3.454 -2.413
268 HD1 TYR 48 HD1 TYR 48 9.181 4.044 -0.209
269 HD2 TYR 48 HD2 TYR 48 5.481 2.097 -1.224
270 HE1 TYR 48 HE1 TYR 48 9.008 3.186 2.119
271 HE2 TYR 48 HE2 TYR 48 5.407 1.072 1.033
272 HH TYR 48 HH TYR 48 8.124 1.354 3.276
273 H GLY 49 H GLY 49 6.307 4.415 -5.064
274 1HA GLY 49 1HA GLY 49 8.784 5.443 -6.392
275 2HA GLY 49 2HA GLY 49 7.149 5.743 -6.980
276 H GLY 50 H GLY 50 7.093 2.700 -5.695
277 1HA GLY 50 1HA GLY 50 6.942 1.393 -8.269
278 2HA GLY 50 2HA GLY 50 6.745 0.679 -6.657
279 H CYS 51 H CYS 51 8.718 0.522 -5.378
280 HA CYS 51 HA CYS 51 10.612 -0.593 -4.876
281 1HB CYS 51 1HB CYS 51 10.651 -1.260 -7.804
282 2HB CYS 51 2HB CYS 51 12.028 -1.530 -6.813
No H/Q in entry = 282
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 -8.623 -6.163 -3.279
2 H2 GLY 1 H2 GLY 1 -7.002 -6.123 -3.520
3 H3 GLY 1 H3 GLY 1 -7.825 -7.551 -3.695
4 1HA GLY 1 1HA GLY 1 -6.545 -7.331 -1.599
5 2HA GLY 1 2HA GLY 1 -8.270 -7.716 -1.423
6 H GLU 2 H GLU 2 -7.208 -6.603 0.774
7 HA GLU 2 HA GLU 2 -8.820 -4.421 1.369
8 1HB GLU 2 1HB GLU 2 -6.145 -5.356 2.477
9 2HB GLU 2 2HB GLU 2 -7.002 -4.015 3.195
10 1HG GLU 2 1HG GLU 2 -8.119 -6.815 2.934
11 2HG GLU 2 2HG GLU 2 -7.292 -6.063 4.304
12 H CYS 3 H CYS 3 -5.468 -4.396 0.376
13 HA CYS 3 HA CYS 3 -5.065 -1.566 0.626
14 1HB CYS 3 1HB CYS 3 -3.191 -3.113 0.472
15 2HB CYS 3 2HB CYS 3 -3.593 -3.457 -1.213
16 H GLU 4 H GLU 4 -5.895 -3.435 -2.387
17 HA GLU 4 HA GLU 4 -6.437 -1.180 -4.037
18 1HB GLU 4 1HB GLU 4 -7.729 -3.930 -3.959
19 2HB GLU 4 2HB GLU 4 -8.083 -2.728 -5.200
20 1HG GLU 4 1HG GLU 4 -5.790 -2.735 -5.981
21 2HG GLU 4 2HG GLU 4 -5.306 -3.799 -4.653
22 H GLN 5 H GLN 5 -8.467 -2.884 -1.672
23 HA GLN 5 HA GLN 5 -10.879 -1.544 -2.259
24 1HB GLN 5 1HB GLN 5 -10.391 -3.764 -0.970
25 2HB GLN 5 2HB GLN 5 -10.136 -2.741 0.448
26 1HG GLN 5 1HG GLN 5 -12.376 -3.678 0.388
27 2HG GLN 5 2HG GLN 5 -12.437 -1.929 0.256
28 1HE2 GLN 5 2HE2 GLN 5 -14.019 -1.313 -1.220
29 2HE2 GLN 5 1HE2 GLN 5 -14.238 -2.054 -2.800
30 H CYS 6 H CYS 6 -8.124 -0.559 -0.325
31 HA CYS 6 HA CYS 6 -9.533 1.645 1.017
32 1HB CYS 6 1HB CYS 6 -7.576 0.434 1.960
33 2HB CYS 6 2HB CYS 6 -6.549 1.161 0.721
34 H PHE 7 H PHE 7 -7.326 1.216 -1.782
35 HA PHE 7 HA PHE 7 -7.298 3.954 -2.631
36 1HB PHE 7 1HB PHE 7 -6.690 1.265 -3.807
37 2HB PHE 7 2HB PHE 7 -7.254 2.456 -4.964
38 HD1 PHE 7 HD1 PHE 7 -4.831 2.278 -2.054
39 HD2 PHE 7 HD2 PHE 7 -5.622 3.755 -6.046
40 HE1 PHE 7 HE1 PHE 7 -2.652 3.455 -2.098
41 HE2 PHE 7 HE2 PHE 7 -3.411 4.815 -6.104
42 HZ PHE 7 HZ PHE 7 -1.949 4.716 -4.094
43 H SER 8 H SER 8 -9.554 1.271 -3.251
44 HA SER 8 HA SER 8 -11.330 2.567 -4.987
45 1HB SER 8 1HB SER 8 -11.164 0.119 -4.485
46 2HB SER 8 2HB SER 8 -11.979 0.406 -2.931
47 HG SER 8 HG SER 8 -13.811 0.868 -3.937
48 H ASP 9 H ASP 9 -11.308 2.509 -1.324
49 HA ASP 9 HA ASP 9 -13.582 4.427 -1.336
50 1HB ASP 9 1HB ASP 9 -12.010 3.011 0.835
51 2HB ASP 9 2HB ASP 9 -13.090 4.353 1.197
52 H GLY 10 H GLY 10 -10.961 5.071 -2.611
53 1HA GLY 10 1HA GLY 10 -11.188 7.839 -2.056
54 2HA GLY 10 2HA GLY 10 -10.037 7.076 -3.140
55 H GLY 11 H GLY 11 -8.308 5.695 -1.669
56 1HA GLY 11 1HA GLY 11 -6.936 6.107 0.396
57 2HA GLY 11 2HA GLY 11 -7.041 7.836 -0.051
58 H ASP 12 H ASP 12 -4.679 7.767 -0.155
59 HA ASP 12 HA ASP 12 -3.714 6.705 -2.804
60 1HB ASP 12 1HB ASP 12 -3.558 9.361 -1.505
61 2HB ASP 12 2HB ASP 12 -2.045 8.808 -2.189
62 H CYS 13 H CYS 13 -2.535 7.666 0.435
63 HA CYS 13 HA CYS 13 -1.032 5.197 0.587
64 1HB CYS 13 1HB CYS 13 0.631 6.418 -0.679
65 2HB CYS 13 2HB CYS 13 0.554 7.797 0.428
66 H THR 14 H THR 14 -1.125 8.548 1.956
67 HA THR 14 HA THR 14 -0.428 7.823 4.587
68 HB THR 14 HB THR 14 -2.217 10.166 3.883
69 HG1 THR 14 HG1 THR 14 0.539 9.862 3.236
70 1HG2 THR 14 1HG2 THR 14 -1.419 9.915 6.228
71 2HG2 THR 14 2HG2 THR 14 0.261 9.901 5.660
72 3HG2 THR 14 3HG2 THR 14 -0.742 11.353 5.452
73 H THR 15 H THR 15 -3.649 8.467 3.124
74 HA THR 15 HA THR 15 -4.953 7.613 5.547
75 HB THR 15 HB THR 15 -5.325 9.512 3.779
76 HG1 THR 15 HG1 THR 15 -6.814 8.572 5.637
77 1HG2 THR 15 1HG2 THR 15 -5.613 8.129 1.816
78 2HG2 THR 15 2HG2 THR 15 -7.160 7.539 2.461
79 3HG2 THR 15 3HG2 THR 15 -6.946 9.259 2.114
80 H CYS 16 H CYS 16 -3.427 5.570 4.336
81 HA CYS 16 HA CYS 16 -5.234 3.266 4.396
82 1HB CYS 16 1HB CYS 16 -3.438 3.852 1.990
83 2HB CYS 16 2HB CYS 16 -4.171 2.289 2.329
84 H PHE 17 H PHE 17 -2.083 4.798 4.780
85 HA PHE 17 HA PHE 17 -0.804 2.279 5.540
86 1HB PHE 17 1HB PHE 17 0.476 4.086 4.412
87 2HB PHE 17 2HB PHE 17 0.123 5.166 5.765
88 HD1 PHE 17 HD1 PHE 17 1.385 1.697 5.209
89 HD2 PHE 17 HD2 PHE 17 1.898 5.372 7.375
90 HE1 PHE 17 HE1 PHE 17 3.234 0.642 6.540
91 HE2 PHE 17 HE2 PHE 17 3.792 4.373 8.606
92 HZ PHE 17 HZ PHE 17 4.476 1.997 8.178
93 H ASN 18 H ASN 18 -2.183 5.216 7.053
94 HA ASN 18 HA ASN 18 -2.921 5.652 9.152
95 1HB ASN 18 1HB ASN 18 -4.321 3.615 8.399
96 2HB ASN 18 2HB ASN 18 -3.192 2.727 9.463
97 1HD2 ASN 18 2HD2 ASN 18 -6.128 2.900 9.820
98 2HD2 ASN 18 1HD2 ASN 18 -6.438 3.967 11.179
99 H ASN 19 H ASN 19 -0.376 5.690 9.025
100 HA ASN 19 HA ASN 19 1.587 5.123 9.511
101 1HB ASN 19 1HB ASN 19 0.939 6.951 11.020
102 2HB ASN 19 2HB ASN 19 0.816 5.773 12.348
103 1HD2 ASN 19 2HD2 ASN 19 2.765 5.434 13.482
104 2HD2 ASN 19 1HD2 ASN 19 4.353 5.786 12.819
105 H GLY 20 H GLY 20 0.589 2.724 9.085
106 1HA GLY 20 1HA GLY 20 2.428 1.096 10.666
107 2HA GLY 20 2HA GLY 20 1.849 0.782 9.045
108 H THR 21 H THR 21 -0.934 1.661 10.420
109 HA THR 21 HA THR 21 -1.742 -1.068 11.180
110 HB THR 21 HB THR 21 -3.112 0.196 13.061
111 HG1 THR 21 HG1 THR 21 -1.819 2.243 12.277
112 1HG2 THR 21 1HG2 THR 21 -0.147 -0.414 13.258
113 2HG2 THR 21 2HG2 THR 21 -1.260 -0.283 14.641
114 3HG2 THR 21 3HG2 THR 21 -1.465 -1.580 13.447
115 H GLY 22 H GLY 22 -2.092 -0.313 8.768
116 1HA GLY 22 1HA GLY 22 -3.827 1.299 7.590
117 2HA GLY 22 2HA GLY 22 -4.956 0.228 8.447
118 HA PRO 23 HA PRO 23 -5.098 -2.794 5.643
119 1HB PRO 23 1HB PRO 23 -6.367 -2.016 3.350
120 2HB PRO 23 2HB PRO 23 -7.134 -1.935 4.953
121 1HG PRO 23 1HG PRO 23 -5.704 0.295 3.481
122 2HG PRO 23 2HG PRO 23 -7.330 0.334 4.234
123 1HD PRO 23 1HD PRO 23 -5.188 1.282 5.565
124 2HD PRO 23 2HD PRO 23 -6.388 0.343 6.413
125 H CYS 24 H CYS 24 -3.043 -0.406 4.452
126 HA CYS 24 HA CYS 24 -1.794 -2.451 2.641
127 1HB CYS 24 1HB CYS 24 -2.792 -0.210 1.615
128 2HB CYS 24 2HB CYS 24 -1.203 0.394 2.097
129 H ALA 25 H ALA 25 -1.379 -1.526 5.627
130 HA ALA 25 HA ALA 25 1.110 -0.220 5.834
131 1HB ALA 25 1HB ALA 25 -0.235 -2.232 7.662
132 2HB ALA 25 2HB ALA 25 -0.395 -0.455 7.729
133 3HB ALA 25 3HB ALA 25 1.163 -1.245 8.110
134 H ASN 26 H ASN 26 0.449 -3.731 5.604
135 HA ASN 26 HA ASN 26 3.183 -4.324 6.393
136 1HB ASN 26 1HB ASN 26 0.825 -6.013 5.468
137 2HB ASN 26 2HB ASN 26 2.447 -6.708 5.578
138 1HD2 ASN 26 2HD2 ASN 26 -0.410 -5.978 7.455
139 2HD2 ASN 26 1HD2 ASN 26 0.375 -6.143 9.002
140 H CYS 27 H CYS 27 1.663 -3.558 3.401
141 HA CYS 27 HA CYS 27 3.633 -4.759 1.605
142 1HB CYS 27 1HB CYS 27 1.605 -2.590 1.050
143 2HB CYS 27 2HB CYS 27 2.722 -3.331 -0.077
144 H LEU 28 H LEU 28 4.255 -2.583 3.998
145 HA LEU 28 HA LEU 28 6.043 -0.867 2.338
146 1HB LEU 28 1HB LEU 28 4.896 -0.353 5.119
147 2HB LEU 28 2HB LEU 28 5.947 0.685 4.227
148 HG LEU 28 HG LEU 28 3.104 0.602 4.255
149 1HD1 LEU 28 1HD1 LEU 28 4.619 2.561 4.302
150 2HD1 LEU 28 2HD1 LEU 28 5.009 2.278 2.591
151 3HD1 LEU 28 3HD1 LEU 28 3.355 2.725 3.074
152 1HD2 LEU 28 1HD2 LEU 28 4.116 0.180 1.468
153 2HD2 LEU 28 2HD2 LEU 28 2.919 -0.797 2.347
154 3HD2 LEU 28 3HD2 LEU 28 2.504 0.803 1.919
155 H ALA 29 H ALA 29 5.842 -2.308 5.601
156 HA ALA 29 HA ALA 29 8.222 -1.331 6.508
157 1HB ALA 29 1HB ALA 29 8.064 -3.042 8.304
158 2HB ALA 29 2HB ALA 29 6.835 -3.914 7.360
159 3HB ALA 29 3HB ALA 29 6.500 -2.273 7.966
160 H GLY 30 H GLY 30 7.731 -4.585 5.182
161 1HA GLY 30 1HA GLY 30 9.806 -6.036 4.959
162 2HA GLY 30 2HA GLY 30 10.513 -4.598 4.167
163 H TYR 31 H TYR 31 9.981 -4.243 2.026
164 HA TYR 31 HA TYR 31 7.630 -5.703 0.868
165 1HB TYR 31 1HB TYR 31 6.861 -3.689 -0.002
166 2HB TYR 31 2HB TYR 31 7.341 -3.250 1.617
167 HD1 TYR 31 HD1 TYR 31 6.799 -1.484 -0.735
168 HD2 TYR 31 HD2 TYR 31 10.476 -3.227 0.615
169 HE1 TYR 31 HE1 TYR 31 8.064 0.098 -2.192
170 HE2 TYR 31 HE2 TYR 31 11.765 -1.486 -0.578
171 HH TYR 31 HH TYR 31 11.645 -0.062 -2.395
172 HA PRO 32 HA PRO 32 11.534 -5.701 -1.653
173 1HB PRO 32 1HB PRO 32 12.393 -8.327 -1.583
174 2HB PRO 32 2HB PRO 32 12.861 -7.075 -0.409
175 1HG PRO 32 1HG PRO 32 10.750 -9.219 -0.139
176 2HG PRO 32 2HG PRO 32 11.915 -8.588 1.086
177 1HD PRO 32 1HD PRO 32 9.298 -7.790 1.000
178 2HD PRO 32 2HD PRO 32 10.665 -6.790 1.574
179 H ALA 33 H ALA 33 8.870 -7.906 -1.580
180 HA ALA 33 HA ALA 33 8.885 -8.531 -4.474
181 1HB ALA 33 1HB ALA 33 7.260 -10.253 -3.720
182 2HB ALA 33 2HB ALA 33 8.770 -10.346 -2.781
183 3HB ALA 33 3HB ALA 33 7.328 -9.566 -2.071
184 H GLY 34 H GLY 34 7.621 -6.042 -2.606
185 1HA GLY 34 1HA GLY 34 5.639 -4.881 -2.463
186 2HA GLY 34 2HA GLY 34 4.844 -6.430 -2.709
187 H CYS 35 H CYS 35 6.962 -4.798 -5.070
188 HA CYS 35 HA CYS 35 4.965 -3.691 -6.717
189 1HB CYS 35 1HB CYS 35 7.600 -4.919 -7.564
190 2HB CYS 35 2HB CYS 35 6.652 -3.759 -8.490
191 H SER 36 H SER 36 5.904 -7.096 -6.407
192 HA SER 36 HA SER 36 4.660 -7.877 -8.921
193 1HB SER 36 1HB SER 36 6.611 -9.004 -7.837
194 2HB SER 36 2HB SER 36 5.549 -9.577 -6.544
195 HG SER 36 HG SER 36 6.047 -10.643 -8.919
196 H ASN 37 H ASN 37 3.728 -7.299 -5.616
197 HA ASN 37 HA ASN 37 1.342 -9.004 -5.637
198 1HB ASN 37 1HB ASN 37 2.866 -7.482 -3.569
199 2HB ASN 37 2HB ASN 37 1.165 -7.290 -3.414
200 1HD2 ASN 37 2HD2 ASN 37 -0.151 -8.858 -2.657
201 2HD2 ASN 37 1HD2 ASN 37 0.360 -10.497 -2.369
202 H SER 38 H SER 38 0.307 -8.037 -7.569
203 HA SER 38 HA SER 38 -0.262 -5.406 -8.014
204 1HB SER 38 1HB SER 38 -1.948 -7.724 -8.706
205 2HB SER 38 2HB SER 38 -1.926 -6.150 -9.511
206 HG SER 38 HG SER 38 -0.483 -8.154 -10.188
207 H ASP 39 H ASP 39 -1.493 -7.017 -5.310
208 HA ASP 39 HA ASP 39 -3.988 -5.540 -4.896
209 1HB ASP 39 1HB ASP 39 -3.497 -7.729 -3.831
210 2HB ASP 39 2HB ASP 39 -2.141 -7.027 -2.986
211 H CYS 40 H CYS 40 -0.560 -5.174 -4.265
212 HA CYS 40 HA CYS 40 -0.897 -2.699 -2.663
213 1HB CYS 40 1HB CYS 40 1.097 -4.998 -2.603
214 2HB CYS 40 2HB CYS 40 1.504 -3.432 -1.901
215 H THR 41 H THR 41 0.593 -4.092 -5.568
216 HA THR 41 HA THR 41 2.602 -2.446 -6.129
217 HB THR 41 HB THR 41 0.334 -3.479 -7.850
218 HG1 THR 41 HG1 THR 41 2.860 -4.666 -7.797
219 1HG2 THR 41 1HG2 THR 41 1.551 -1.886 -9.241
220 2HG2 THR 41 2HG2 THR 41 3.079 -2.736 -8.894
221 3HG2 THR 41 3HG2 THR 41 1.746 -3.579 -9.751
222 H ALA 42 H ALA 42 -0.883 -1.598 -6.884
223 HA ALA 42 HA ALA 42 -0.284 0.835 -8.142
224 1HB ALA 42 1HB ALA 42 -2.511 -0.209 -8.265
225 2HB ALA 42 2HB ALA 42 -2.616 1.466 -7.703
226 3HB ALA 42 3HB ALA 42 -2.781 0.137 -6.545
227 H PHE 43 H PHE 43 -1.003 0.224 -4.696
228 HA PHE 43 HA PHE 43 -0.677 2.919 -3.781
229 1HB PHE 43 1HB PHE 43 -1.731 1.233 -2.390
230 2HB PHE 43 2HB PHE 43 -0.289 0.252 -2.356
231 HD1 PHE 43 HD1 PHE 43 1.921 1.722 -1.500
232 HD2 PHE 43 HD2 PHE 43 -2.163 2.177 -0.234
233 HE1 PHE 43 HE1 PHE 43 2.725 2.632 0.566
234 HE2 PHE 43 HE2 PHE 43 -1.315 2.959 1.978
235 HZ PHE 43 HZ PHE 43 1.195 3.078 2.359
236 H LEU 44 H LEU 44 1.756 0.195 -3.793
237 HA LEU 44 HA LEU 44 3.787 1.854 -2.818
238 1HB LEU 44 1HB LEU 44 4.066 -0.621 -4.562
239 2HB LEU 44 2HB LEU 44 5.330 0.085 -3.576
240 HG LEU 44 HG LEU 44 2.736 -1.091 -2.493
241 1HD1 LEU 44 1HD1 LEU 44 5.573 -2.165 -2.572
242 2HD1 LEU 44 2HD1 LEU 44 4.236 -2.890 -1.654
243 3HD1 LEU 44 3HD1 LEU 44 4.152 -2.800 -3.419
244 1HD2 LEU 44 1HD2 LEU 44 3.648 0.745 -0.985
245 2HD2 LEU 44 2HD2 LEU 44 3.516 -0.853 -0.333
246 3HD2 LEU 44 3HD2 LEU 44 5.104 -0.240 -0.855
247 H SER 45 H SER 45 2.868 1.297 -6.192
248 HA SER 45 HA SER 45 4.928 2.648 -7.501
249 1HB SER 45 1HB SER 45 2.974 1.317 -8.414
250 2HB SER 45 2HB SER 45 1.989 2.760 -8.243
251 HG SER 45 HG SER 45 2.955 2.418 -10.317
252 H GLN 46 H GLN 46 1.969 3.957 -5.926
253 HA GLN 46 HA GLN 46 2.652 6.697 -6.417
254 1HB GLN 46 1HB GLN 46 1.010 5.786 -4.031
255 2HB GLN 46 2HB GLN 46 1.009 7.332 -4.836
256 1HG GLN 46 1HG GLN 46 -0.294 4.780 -5.633
257 2HG GLN 46 2HG GLN 46 -0.954 6.384 -5.555
258 1HE2 GLN 46 2HE2 GLN 46 -0.083 3.994 -7.637
259 2HE2 GLN 46 1HE2 GLN 46 0.164 4.924 -9.113
260 H CYS 47 H CYS 47 2.988 4.750 -3.432
261 HA CYS 47 HA CYS 47 4.127 7.052 -2.123
262 1HB CYS 47 1HB CYS 47 2.469 5.172 -1.283
263 2HB CYS 47 2HB CYS 47 3.961 4.393 -0.726
264 H TYR 48 H TYR 48 5.667 4.385 -3.627
265 HA TYR 48 HA TYR 48 8.282 5.044 -2.292
266 1HB TYR 48 1HB TYR 48 7.235 2.474 -3.486
267 2HB TYR 48 2HB TYR 48 8.931 2.823 -3.351
268 HD1 TYR 48 HD1 TYR 48 10.062 2.792 -1.205
269 HD2 TYR 48 HD2 TYR 48 5.827 2.147 -1.472
270 HE1 TYR 48 HE1 TYR 48 10.076 1.938 1.101
271 HE2 TYR 48 HE2 TYR 48 5.865 1.150 0.793
272 HH TYR 48 HH TYR 48 8.377 0.144 2.438
273 H GLY 49 H GLY 49 6.396 5.059 -5.225
274 1HA GLY 49 1HA GLY 49 8.730 5.825 -6.876
275 2HA GLY 49 2HA GLY 49 7.033 6.149 -7.270
276 H GLY 50 H GLY 50 7.261 3.124 -5.858
277 1HA GLY 50 1HA GLY 50 7.749 1.611 -8.370
278 2HA GLY 50 2HA GLY 50 6.968 0.970 -6.901
279 H CYS 51 H CYS 51 8.425 -0.523 -6.174
280 HA CYS 51 HA CYS 51 11.032 0.148 -5.217
281 1HB CYS 51 1HB CYS 51 11.311 -2.187 -4.891
282 2HB CYS 51 2HB CYS 51 9.736 -1.717 -4.275
No H/Q in entry = 282
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 -8.363 -6.050 -3.063
2 H2 GLY 1 H2 GLY 1 -6.748 -5.802 -3.088
3 H3 GLY 1 H3 GLY 1 -7.341 -7.279 -3.502
4 1HA GLY 1 1HA GLY 1 -6.388 -7.253 -1.271
5 2HA GLY 1 2HA GLY 1 -8.124 -7.630 -1.260
6 H GLU 2 H GLU 2 -6.623 -6.451 0.981
7 HA GLU 2 HA GLU 2 -8.425 -4.349 1.608
8 1HB GLU 2 1HB GLU 2 -6.959 -3.858 3.550
9 2HB GLU 2 2HB GLU 2 -7.866 -5.351 3.439
10 1HG GLU 2 1HG GLU 2 -5.294 -5.888 2.359
11 2HG GLU 2 2HG GLU 2 -5.102 -5.006 3.874
12 H CYS 3 H CYS 3 -5.259 -4.160 0.046
13 HA CYS 3 HA CYS 3 -5.047 -1.315 0.541
14 1HB CYS 3 1HB CYS 3 -3.143 -2.855 0.199
15 2HB CYS 3 2HB CYS 3 -3.619 -3.047 -1.484
16 H GLU 4 H GLU 4 -6.038 -3.318 -2.303
17 HA GLU 4 HA GLU 4 -6.864 -1.217 -4.036
18 1HB GLU 4 1HB GLU 4 -7.882 -4.023 -3.556
19 2HB GLU 4 2HB GLU 4 -8.664 -2.957 -4.710
20 1HG GLU 4 1HG GLU 4 -6.601 -2.709 -5.974
21 2HG GLU 4 2HG GLU 4 -5.780 -3.838 -4.878
22 H GLN 5 H GLN 5 -8.665 -2.875 -1.390
23 HA GLN 5 HA GLN 5 -11.081 -1.532 -1.946
24 1HB GLN 5 1HB GLN 5 -10.836 -3.664 -0.640
25 2HB GLN 5 2HB GLN 5 -10.158 -2.741 0.709
26 1HG GLN 5 1HG GLN 5 -12.526 -3.288 1.056
27 2HG GLN 5 2HG GLN 5 -12.303 -1.541 0.981
28 1HE2 GLN 5 2HE2 GLN 5 -13.018 -0.429 -1.026
29 2HE2 GLN 5 1HE2 GLN 5 -13.997 -1.301 -2.215
30 H CYS 6 H CYS 6 -8.377 -0.631 0.139
31 HA CYS 6 HA CYS 6 -9.548 1.760 1.216
32 1HB CYS 6 1HB CYS 6 -7.510 0.695 2.088
33 2HB CYS 6 2HB CYS 6 -6.631 1.121 0.612
34 H PHE 7 H PHE 7 -7.461 1.166 -1.648
35 HA PHE 7 HA PHE 7 -7.349 3.725 -2.725
36 1HB PHE 7 1HB PHE 7 -6.917 0.998 -3.645
37 2HB PHE 7 2HB PHE 7 -7.696 1.917 -4.904
38 HD1 PHE 7 HD1 PHE 7 -6.218 2.927 -6.455
39 HD2 PHE 7 HD2 PHE 7 -4.942 2.419 -2.348
40 HE1 PHE 7 HE1 PHE 7 -4.027 3.930 -6.991
41 HE2 PHE 7 HE2 PHE 7 -2.797 3.447 -2.909
42 HZ PHE 7 HZ PHE 7 -2.320 4.244 -5.209
43 H SER 8 H SER 8 -9.950 1.286 -3.315
44 HA SER 8 HA SER 8 -11.498 2.977 -4.971
45 1HB SER 8 1HB SER 8 -12.312 0.625 -3.202
46 2HB SER 8 2HB SER 8 -13.349 1.379 -4.434
47 HG SER 8 HG SER 8 -11.646 0.936 -5.946
48 H ASP 9 H ASP 9 -11.212 3.148 -1.482
49 HA ASP 9 HA ASP 9 -13.571 4.975 -1.403
50 1HB ASP 9 1HB ASP 9 -13.700 3.062 0.142
51 2HB ASP 9 2HB ASP 9 -12.190 3.585 0.901
52 H GLY 10 H GLY 10 -11.165 5.724 -2.711
53 1HA GLY 10 1HA GLY 10 -10.874 8.297 -1.422
54 2HA GLY 10 2HA GLY 10 -10.117 7.752 -2.924
55 H GLY 11 H GLY 11 -8.932 5.344 -1.587
56 1HA GLY 11 1HA GLY 11 -6.993 4.751 -0.602
57 2HA GLY 11 2HA GLY 11 -6.971 6.266 0.333
58 H ASP 12 H ASP 12 -4.809 6.921 -0.106
59 HA ASP 12 HA ASP 12 -3.926 6.950 -2.955
60 1HB ASP 12 1HB ASP 12 -2.567 9.043 -2.328
61 2HB ASP 12 2HB ASP 12 -4.253 9.202 -2.733
62 H CYS 13 H CYS 13 -2.096 8.076 -0.199
63 HA CYS 13 HA CYS 13 -0.374 5.666 -0.130
64 1HB CYS 13 1HB CYS 13 0.841 6.863 -1.712
65 2HB CYS 13 2HB CYS 13 0.413 8.409 -1.016
66 H THR 14 H THR 14 -0.991 9.030 1.095
67 HA THR 14 HA THR 14 -0.013 8.545 3.717
68 HB THR 14 HB THR 14 -2.344 10.372 3.016
69 HG1 THR 14 HG1 THR 14 -0.977 11.277 1.762
70 1HG2 THR 14 1HG2 THR 14 -0.156 10.436 5.129
71 2HG2 THR 14 2HG2 THR 14 -1.347 11.723 4.856
72 3HG2 THR 14 3HG2 THR 14 -1.885 10.135 5.424
73 H THR 15 H THR 15 -3.344 8.341 2.292
74 HA THR 15 HA THR 15 -4.237 7.549 4.949
75 HB THR 15 HB THR 15 -4.943 9.491 3.387
76 HG1 THR 15 HG1 THR 15 -7.222 8.962 4.409
77 1HG2 THR 15 1HG2 THR 15 -5.725 8.150 1.463
78 2HG2 THR 15 2HG2 THR 15 -7.087 7.573 2.455
79 3HG2 THR 15 3HG2 THR 15 -6.908 9.296 2.106
80 H CYS 16 H CYS 16 -2.920 5.461 3.653
81 HA CYS 16 HA CYS 16 -4.983 3.385 4.053
82 1HB CYS 16 1HB CYS 16 -3.065 3.336 1.682
83 2HB CYS 16 2HB CYS 16 -4.064 1.994 2.196
84 H PHE 17 H PHE 17 -2.811 4.608 5.639
85 HA PHE 17 HA PHE 17 -1.034 2.229 5.886
86 1HB PHE 17 1HB PHE 17 0.166 4.227 4.931
87 2HB PHE 17 2HB PHE 17 -0.232 5.088 6.421
88 HD1 PHE 17 HD1 PHE 17 1.897 5.399 7.527
89 HD2 PHE 17 HD2 PHE 17 0.892 1.568 5.894
90 HE1 PHE 17 HE1 PHE 17 3.903 4.386 8.604
91 HE2 PHE 17 HE2 PHE 17 2.818 0.545 6.981
92 HZ PHE 17 HZ PHE 17 4.334 1.933 8.385
93 H ASN 18 H ASN 18 -2.807 4.803 7.602
94 HA ASN 18 HA ASN 18 -3.272 5.132 9.802
95 1HB ASN 18 1HB ASN 18 -4.475 2.959 9.070
96 2HB ASN 18 2HB ASN 18 -3.180 2.116 9.951
97 1HD2 ASN 18 2HD2 ASN 18 -5.226 1.261 10.988
98 2HD2 ASN 18 1HD2 ASN 18 -5.893 2.101 12.342
99 H ASN 19 H ASN 19 -0.450 5.058 9.178
100 HA ASN 19 HA ASN 19 1.568 4.527 9.814
101 1HB ASN 19 1HB ASN 19 0.917 6.373 11.358
102 2HB ASN 19 2HB ASN 19 0.832 5.155 12.645
103 1HD2 ASN 19 2HD2 ASN 19 3.086 6.557 10.150
104 2HD2 ASN 19 1HD2 ASN 19 4.529 6.036 10.974
105 H GLY 20 H GLY 20 0.875 2.271 9.159
106 1HA GLY 20 1HA GLY 20 2.513 0.656 10.908
107 2HA GLY 20 2HA GLY 20 1.969 0.256 9.306
108 H THR 21 H THR 21 -0.921 0.855 10.182
109 HA THR 21 HA THR 21 -1.562 -1.795 11.207
110 HB THR 21 HB THR 21 -0.918 -0.830 13.198
111 HG1 THR 21 HG1 THR 21 -2.940 -0.819 14.350
112 1HG2 THR 21 1HG2 THR 21 -2.848 1.350 12.547
113 2HG2 THR 21 2HG2 THR 21 -2.031 1.147 14.133
114 3HG2 THR 21 3HG2 THR 21 -1.074 1.442 12.684
115 H GLY 22 H GLY 22 -1.980 -0.737 8.708
116 1HA GLY 22 1HA GLY 22 -3.844 0.905 7.861
117 2HA GLY 22 2HA GLY 22 -4.887 -0.387 8.490
118 HA PRO 23 HA PRO 23 -5.236 -2.638 5.244
119 1HB PRO 23 1HB PRO 23 -6.279 -1.347 3.061
120 2HB PRO 23 2HB PRO 23 -7.095 -1.408 4.647
121 1HG PRO 23 1HG PRO 23 -5.365 0.781 3.476
122 2HG PRO 23 2HG PRO 23 -6.954 0.952 4.296
123 1HD PRO 23 1HD PRO 23 -4.590 1.370 5.595
124 2HD PRO 23 2HD PRO 23 -5.982 0.657 6.401
125 H CYS 24 H CYS 24 -2.823 -0.433 4.304
126 HA CYS 24 HA CYS 24 -1.805 -2.495 2.354
127 1HB CYS 24 1HB CYS 24 -2.505 -0.001 1.553
128 2HB CYS 24 2HB CYS 24 -0.832 0.275 2.003
129 H ALA 25 H ALA 25 -1.377 -1.583 5.442
130 HA ALA 25 HA ALA 25 1.120 -0.366 5.574
131 1HB ALA 25 1HB ALA 25 -0.304 -2.153 7.593
132 2HB ALA 25 2HB ALA 25 -0.418 -0.371 7.469
133 3HB ALA 25 3HB ALA 25 1.104 -1.156 7.967
134 H ASN 26 H ASN 26 0.461 -3.862 5.617
135 HA ASN 26 HA ASN 26 3.228 -4.362 6.292
136 1HB ASN 26 1HB ASN 26 0.906 -6.187 5.588
137 2HB ASN 26 2HB ASN 26 2.563 -6.795 5.730
138 1HD2 ASN 26 2HD2 ASN 26 1.694 -8.086 7.662
139 2HD2 ASN 26 1HD2 ASN 26 1.776 -7.228 9.192
140 H CYS 27 H CYS 27 1.745 -3.497 3.353
141 HA CYS 27 HA CYS 27 3.733 -4.700 1.592
142 1HB CYS 27 1HB CYS 27 2.009 -2.252 1.050
143 2HB CYS 27 2HB CYS 27 2.858 -3.221 -0.098
144 H LEU 28 H LEU 28 4.112 -2.461 4.065
145 HA LEU 28 HA LEU 28 5.892 -0.664 2.481
146 1HB LEU 28 1HB LEU 28 4.664 -0.254 5.220
147 2HB LEU 28 2HB LEU 28 5.704 0.843 4.396
148 HG LEU 28 HG LEU 28 2.890 0.760 4.421
149 1HD1 LEU 28 1HD1 LEU 28 4.365 2.729 4.404
150 2HD1 LEU 28 2HD1 LEU 28 4.731 2.421 2.684
151 3HD1 LEU 28 3HD1 LEU 28 3.077 2.843 3.198
152 1HD2 LEU 28 1HD2 LEU 28 2.800 -0.738 2.510
153 2HD2 LEU 28 2HD2 LEU 28 2.207 0.819 2.132
154 3HD2 LEU 28 3HD2 LEU 28 3.855 0.360 1.579
155 H ALA 29 H ALA 29 5.772 -2.194 5.749
156 HA ALA 29 HA ALA 29 8.305 -1.320 6.532
157 1HB ALA 29 1HB ALA 29 8.179 -3.172 8.222
158 2HB ALA 29 2HB ALA 29 6.675 -3.718 7.449
159 3HB ALA 29 3HB ALA 29 6.775 -2.109 8.200
160 H GLY 30 H GLY 30 7.466 -4.638 5.485
161 1HA GLY 30 1HA GLY 30 9.242 -6.307 5.124
162 2HA GLY 30 2HA GLY 30 10.263 -5.004 4.497
163 H TYR 31 H TYR 31 9.619 -3.931 2.463
164 HA TYR 31 HA TYR 31 7.505 -5.466 0.959
165 1HB TYR 31 1HB TYR 31 6.846 -3.555 0.133
166 2HB TYR 31 2HB TYR 31 7.356 -2.966 1.704
167 HD1 TYR 31 HD1 TYR 31 10.441 -3.071 0.647
168 HD2 TYR 31 HD2 TYR 31 6.768 -1.266 -0.566
169 HE1 TYR 31 HE1 TYR 31 11.716 -1.369 -0.570
170 HE2 TYR 31 HE2 TYR 31 7.982 0.505 -1.849
171 HH TYR 31 HH TYR 31 10.209 1.058 -2.734
172 HA PRO 32 HA PRO 32 11.422 -5.706 -1.486
173 1HB PRO 32 1HB PRO 32 12.583 -8.179 -0.995
174 2HB PRO 32 2HB PRO 32 12.869 -6.747 0.027
175 1HG PRO 32 1HG PRO 32 10.844 -8.971 0.469
176 2HG PRO 32 2HG PRO 32 12.029 -8.286 1.642
177 1HD PRO 32 1HD PRO 32 9.444 -7.461 1.575
178 2HD PRO 32 2HD PRO 32 10.800 -6.343 1.917
179 H ALA 33 H ALA 33 8.557 -7.411 -1.196
180 HA ALA 33 HA ALA 33 8.756 -8.617 -3.893
181 1HB ALA 33 1HB ALA 33 7.132 -10.318 -3.144
182 2HB ALA 33 2HB ALA 33 8.624 -10.391 -2.194
183 3HB ALA 33 3HB ALA 33 7.166 -9.629 -1.502
184 H GLY 34 H GLY 34 7.446 -5.995 -2.240
185 1HA GLY 34 1HA GLY 34 5.433 -4.836 -2.304
186 2HA GLY 34 2HA GLY 34 4.657 -6.369 -2.665
187 H CYS 35 H CYS 35 7.116 -4.732 -4.714
188 HA CYS 35 HA CYS 35 5.353 -3.823 -6.685
189 1HB CYS 35 1HB CYS 35 8.042 -4.972 -7.408
190 2HB CYS 35 2HB CYS 35 7.257 -3.548 -8.073
191 H SER 36 H SER 36 6.005 -7.184 -5.980
192 HA SER 36 HA SER 36 5.103 -7.985 -8.626
193 1HB SER 36 1HB SER 36 5.937 -10.048 -8.005
194 2HB SER 36 2HB SER 36 7.045 -8.933 -7.241
195 HG SER 36 HG SER 36 5.925 -9.270 -5.273
196 H ASN 37 H ASN 37 3.800 -7.208 -5.584
197 HA ASN 37 HA ASN 37 1.444 -9.004 -5.722
198 1HB ASN 37 1HB ASN 37 2.922 -7.623 -3.583
199 2HB ASN 37 2HB ASN 37 1.255 -7.139 -3.535
200 1HD2 ASN 37 2HD2 ASN 37 -0.379 -8.896 -3.711
201 2HD2 ASN 37 1HD2 ASN 37 -0.083 -10.352 -2.776
202 H SER 38 H SER 38 0.054 -8.166 -7.337
203 HA SER 38 HA SER 38 -0.081 -5.532 -8.156
204 1HB SER 38 1HB SER 38 -1.384 -7.894 -8.837
205 2HB SER 38 2HB SER 38 -2.710 -6.850 -8.315
206 HG SER 38 HG SER 38 -2.494 -6.002 -10.222
207 H ASP 39 H ASP 39 -1.922 -6.956 -5.389
208 HA ASP 39 HA ASP 39 -3.699 -4.801 -4.939
209 1HB ASP 39 1HB ASP 39 -3.922 -6.976 -3.839
210 2HB ASP 39 2HB ASP 39 -2.428 -6.726 -2.950
211 H CYS 40 H CYS 40 -0.290 -5.159 -4.112
212 HA CYS 40 HA CYS 40 -0.284 -2.813 -2.276
213 1HB CYS 40 1HB CYS 40 1.951 -4.626 -3.302
214 2HB CYS 40 2HB CYS 40 2.128 -3.350 -2.127
215 H THR 41 H THR 41 0.795 -3.952 -5.460
216 HA THR 41 HA THR 41 2.686 -2.201 -6.211
217 HB THR 41 HB THR 41 0.448 -3.515 -7.757
218 HG1 THR 41 HG1 THR 41 2.042 -4.807 -6.618
219 1HG2 THR 41 1HG2 THR 41 1.405 -1.706 -9.162
220 2HG2 THR 41 2HG2 THR 41 2.993 -2.496 -8.992
221 3HG2 THR 41 3HG2 THR 41 1.621 -3.367 -9.757
222 H ALA 42 H ALA 42 -0.877 -1.546 -6.798
223 HA ALA 42 HA ALA 42 -0.301 0.844 -8.194
224 1HB ALA 42 1HB ALA 42 -2.481 -0.208 -8.402
225 2HB ALA 42 2HB ALA 42 -2.682 1.446 -7.802
226 3HB ALA 42 3HB ALA 42 -2.829 0.090 -6.678
227 H PHE 43 H PHE 43 -0.801 0.269 -4.737
228 HA PHE 43 HA PHE 43 -0.792 3.050 -3.907
229 1HB PHE 43 1HB PHE 43 -1.846 1.375 -2.502
230 2HB PHE 43 2HB PHE 43 -0.405 0.392 -2.514
231 HD1 PHE 43 HD1 PHE 43 1.647 1.095 -1.414
232 HD2 PHE 43 HD2 PHE 43 -2.086 3.056 -0.670
233 HE1 PHE 43 HE1 PHE 43 2.673 2.273 0.518
234 HE2 PHE 43 HE2 PHE 43 -1.118 4.030 1.421
235 HZ PHE 43 HZ PHE 43 1.283 3.633 1.980
236 H LEU 44 H LEU 44 1.710 0.380 -3.853
237 HA LEU 44 HA LEU 44 3.648 2.105 -2.813
238 1HB LEU 44 1HB LEU 44 4.145 -0.368 -4.506
239 2HB LEU 44 2HB LEU 44 5.278 0.435 -3.494
240 HG LEU 44 HG LEU 44 2.766 -0.998 -2.539
241 1HD1 LEU 44 1HD1 LEU 44 5.677 -1.865 -2.576
242 2HD1 LEU 44 2HD1 LEU 44 4.363 -2.741 -1.766
243 3HD1 LEU 44 3HD1 LEU 44 4.362 -2.547 -3.539
244 1HD2 LEU 44 1HD2 LEU 44 3.690 0.891 -1.002
245 2HD2 LEU 44 2HD2 LEU 44 3.402 -0.716 -0.342
246 3HD2 LEU 44 3HD2 LEU 44 5.037 -0.196 -0.756
247 H SER 45 H SER 45 2.737 1.568 -6.102
248 HA SER 45 HA SER 45 4.705 3.005 -7.530
249 1HB SER 45 1HB SER 45 2.585 1.696 -8.340
250 2HB SER 45 2HB SER 45 1.727 3.194 -8.142
251 HG SER 45 HG SER 45 2.424 3.391 -10.131
252 H GLN 46 H GLN 46 1.620 4.382 -6.227
253 HA GLN 46 HA GLN 46 2.312 7.108 -6.407
254 1HB GLN 46 1HB GLN 46 0.345 5.552 -4.677
255 2HB GLN 46 2HB GLN 46 0.554 7.283 -4.501
256 1HG GLN 46 1HG GLN 46 0.101 7.576 -6.954
257 2HG GLN 46 2HG GLN 46 -0.288 5.843 -7.034
258 1HE2 GLN 46 2HE2 GLN 46 -2.429 6.224 -7.629
259 2HE2 GLN 46 1HE2 GLN 46 -3.630 6.877 -6.527
260 H CYS 47 H CYS 47 3.009 4.811 -3.843
261 HA CYS 47 HA CYS 47 3.707 6.968 -2.013
262 1HB CYS 47 1HB CYS 47 2.291 4.747 -1.704
263 2HB CYS 47 2HB CYS 47 3.863 4.073 -1.252
264 H TYR 48 H TYR 48 5.542 4.644 -3.847
265 HA TYR 48 HA TYR 48 8.076 5.415 -2.446
266 1HB TYR 48 1HB TYR 48 7.130 2.687 -3.304
267 2HB TYR 48 2HB TYR 48 8.786 3.097 -2.952
268 HD1 TYR 48 HD1 TYR 48 5.846 1.855 -1.511
269 HD2 TYR 48 HD2 TYR 48 9.212 4.404 -0.660
270 HE1 TYR 48 HE1 TYR 48 5.779 1.157 0.885
271 HE2 TYR 48 HE2 TYR 48 9.020 3.875 1.728
272 HH TYR 48 HH TYR 48 7.846 2.721 3.337
273 H GLY 49 H GLY 49 6.433 4.814 -5.485
274 1HA GLY 49 1HA GLY 49 8.915 5.320 -7.060
275 2HA GLY 49 2HA GLY 49 7.248 5.428 -7.624
276 H GLY 50 H GLY 50 6.883 2.789 -5.940
277 1HA GLY 50 1HA GLY 50 6.395 1.220 -8.106
278 2HA GLY 50 2HA GLY 50 6.559 0.608 -6.454
279 H CYS 51 H CYS 51 8.964 0.361 -5.782
280 HA CYS 51 HA CYS 51 11.017 -0.511 -5.963
281 1HB CYS 51 1HB CYS 51 10.013 -1.743 -8.552
282 2HB CYS 51 2HB CYS 51 11.680 -1.821 -8.043
No H/Q in entry = 282
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -9.749 -7.372 -1.792
2 H2 GLY 1 H2 GLY 1 -8.853 -6.659 -2.973
3 H3 GLY 1 H3 GLY 1 -8.736 -8.283 -2.719
4 1HA GLY 1 1HA GLY 1 -6.827 -7.159 -1.799
5 2HA GLY 1 2HA GLY 1 -7.805 -7.953 -0.551
6 H GLU 2 H GLU 2 -6.795 -6.419 0.949
7 HA GLU 2 HA GLU 2 -8.703 -4.393 1.708
8 1HB GLU 2 1HB GLU 2 -5.914 -5.203 2.669
9 2HB GLU 2 2HB GLU 2 -6.901 -3.995 3.454
10 1HG GLU 2 1HG GLU 2 -7.684 -6.893 3.188
11 2HG GLU 2 2HG GLU 2 -6.926 -6.057 4.561
12 H CYS 3 H CYS 3 -5.308 -4.365 0.566
13 HA CYS 3 HA CYS 3 -4.935 -1.558 0.706
14 1HB CYS 3 1HB CYS 3 -3.137 -3.307 0.239
15 2HB CYS 3 2HB CYS 3 -3.734 -3.352 -1.415
16 H GLU 4 H GLU 4 -6.023 -3.542 -2.097
17 HA GLU 4 HA GLU 4 -6.638 -1.331 -3.777
18 1HB GLU 4 1HB GLU 4 -7.711 -4.175 -3.701
19 2HB GLU 4 2HB GLU 4 -8.149 -2.989 -4.937
20 1HG GLU 4 1HG GLU 4 -5.711 -2.683 -5.456
21 2HG GLU 4 2HG GLU 4 -5.372 -4.034 -4.379
22 H GLN 5 H GLN 5 -8.610 -2.940 -1.234
23 HA GLN 5 HA GLN 5 -11.084 -1.687 -1.949
24 1HB GLN 5 1HB GLN 5 -10.789 -3.719 -0.424
25 2HB GLN 5 2HB GLN 5 -10.199 -2.629 0.821
26 1HG GLN 5 1HG GLN 5 -12.515 -3.182 1.228
27 2HG GLN 5 2HG GLN 5 -12.409 -1.473 0.832
28 1HE2 GLN 5 2HE2 GLN 5 -13.566 -0.694 -0.985
29 2HE2 GLN 5 1HE2 GLN 5 -14.352 -1.760 -2.157
30 H CYS 6 H CYS 6 -8.365 -0.660 0.060
31 HA CYS 6 HA CYS 6 -9.578 1.713 1.154
32 1HB CYS 6 1HB CYS 6 -7.476 0.480 1.901
33 2HB CYS 6 2HB CYS 6 -6.634 1.240 0.552
34 H PHE 7 H PHE 7 -7.447 1.113 -1.672
35 HA PHE 7 HA PHE 7 -7.476 3.764 -2.684
36 1HB PHE 7 1HB PHE 7 -6.569 1.104 -3.551
37 2HB PHE 7 2HB PHE 7 -7.227 2.017 -4.886
38 HD1 PHE 7 HD1 PHE 7 -6.356 4.347 -5.387
39 HD2 PHE 7 HD2 PHE 7 -4.489 1.783 -2.464
40 HE1 PHE 7 HE1 PHE 7 -4.313 5.745 -5.477
41 HE2 PHE 7 HE2 PHE 7 -2.490 3.264 -2.503
42 HZ PHE 7 HZ PHE 7 -2.368 5.184 -4.034
43 H SER 8 H SER 8 -9.806 1.079 -3.218
44 HA SER 8 HA SER 8 -11.332 2.322 -5.225
45 1HB SER 8 1HB SER 8 -12.301 0.501 -2.985
46 2HB SER 8 2HB SER 8 -13.122 0.833 -4.515
47 HG SER 8 HG SER 8 -10.935 0.102 -5.414
48 H ASP 9 H ASP 9 -11.275 2.979 -1.678
49 HA ASP 9 HA ASP 9 -13.521 4.915 -2.027
50 1HB ASP 9 1HB ASP 9 -13.463 3.206 -0.167
51 2HB ASP 9 2HB ASP 9 -12.087 4.087 0.507
52 H GLY 10 H GLY 10 -10.896 5.252 -3.253
53 1HA GLY 10 1HA GLY 10 -10.728 8.075 -2.859
54 2HA GLY 10 2HA GLY 10 -9.718 7.088 -3.906
55 H GLY 11 H GLY 11 -8.859 5.367 -1.440
56 1HA GLY 11 1HA GLY 11 -7.078 5.433 -0.015
57 2HA GLY 11 2HA GLY 11 -7.343 7.173 0.173
58 H ASP 12 H ASP 12 -4.938 7.333 0.135
59 HA ASP 12 HA ASP 12 -3.689 6.824 -2.528
60 1HB ASP 12 1HB ASP 12 -2.125 8.807 -2.007
61 2HB ASP 12 2HB ASP 12 -3.699 9.111 -2.684
62 H CYS 13 H CYS 13 -2.004 8.152 0.250
63 HA CYS 13 HA CYS 13 -0.665 5.508 0.690
64 1HB CYS 13 1HB CYS 13 0.573 8.269 0.408
65 2HB CYS 13 2HB CYS 13 1.417 6.884 1.060
66 H THR 14 H THR 14 -1.291 8.789 2.082
67 HA THR 14 HA THR 14 -0.508 7.981 4.732
68 HB THR 14 HB THR 14 -2.295 10.308 3.951
69 HG1 THR 14 HG1 THR 14 0.395 9.765 3.432
70 1HG2 THR 14 1HG2 THR 14 -0.198 9.968 6.157
71 2HG2 THR 14 2HG2 THR 14 -1.176 11.420 5.843
72 3HG2 THR 14 3HG2 THR 14 -1.958 9.931 6.394
73 H THR 15 H THR 15 -3.689 8.590 3.219
74 HA THR 15 HA THR 15 -5.209 7.669 5.420
75 HB THR 15 HB THR 15 -5.691 9.472 3.801
76 HG1 THR 15 HG1 THR 15 -7.486 8.397 4.739
77 1HG2 THR 15 1HG2 THR 15 -5.858 7.261 1.747
78 2HG2 THR 15 2HG2 THR 15 -6.528 8.884 1.485
79 3HG2 THR 15 3HG2 THR 15 -4.796 8.689 1.720
80 H CYS 16 H CYS 16 -3.442 5.558 4.439
81 HA CYS 16 HA CYS 16 -5.275 3.267 4.426
82 1HB CYS 16 1HB CYS 16 -3.294 3.725 2.138
83 2HB CYS 16 2HB CYS 16 -4.089 2.197 2.482
84 H PHE 17 H PHE 17 -2.147 4.774 5.046
85 HA PHE 17 HA PHE 17 -0.991 2.174 5.790
86 1HB PHE 17 1HB PHE 17 0.379 3.898 4.622
87 2HB PHE 17 2HB PHE 17 0.136 4.981 6.004
88 HD1 PHE 17 HD1 PHE 17 0.989 1.364 5.638
89 HD2 PHE 17 HD2 PHE 17 2.220 5.191 7.156
90 HE1 PHE 17 HE1 PHE 17 2.837 0.228 6.913
91 HE2 PHE 17 HE2 PHE 17 4.105 4.107 8.345
92 HZ PHE 17 HZ PHE 17 4.377 1.618 8.296
93 H ASN 18 H ASN 18 -2.204 5.200 7.281
94 HA ASN 18 HA ASN 18 -2.762 5.786 9.376
95 1HB ASN 18 1HB ASN 18 -4.274 3.661 8.993
96 2HB ASN 18 2HB ASN 18 -3.111 2.926 10.121
97 1HD2 ASN 18 2HD2 ASN 18 -2.817 4.367 12.242
98 2HD2 ASN 18 1HD2 ASN 18 -4.317 4.987 12.938
99 H ASN 19 H ASN 19 -0.068 5.492 8.876
100 HA ASN 19 HA ASN 19 1.889 4.685 9.446
101 1HB ASN 19 1HB ASN 19 1.475 6.697 10.868
102 2HB ASN 19 2HB ASN 19 1.262 5.598 12.243
103 1HD2 ASN 19 2HD2 ASN 19 3.204 7.404 12.532
104 2HD2 ASN 19 1HD2 ASN 19 4.812 6.768 12.203
105 H GLY 20 H GLY 20 0.928 2.492 8.975
106 1HA GLY 20 1HA GLY 20 2.304 0.710 10.784
107 2HA GLY 20 2HA GLY 20 1.626 0.338 9.218
108 H THR 21 H THR 21 -1.117 1.540 10.280
109 HA THR 21 HA THR 21 -1.960 -0.866 11.783
110 HB THR 21 HB THR 21 -2.125 1.993 12.176
111 HG1 THR 21 HG1 THR 21 -2.065 -0.261 13.807
112 1HG2 THR 21 1HG2 THR 21 -4.451 1.678 11.813
113 2HG2 THR 21 2HG2 THR 21 -4.497 0.416 13.072
114 3HG2 THR 21 3HG2 THR 21 -4.101 2.096 13.497
115 H GLY 22 H GLY 22 -2.305 0.950 8.878
116 1HA GLY 22 1HA GLY 22 -3.983 1.343 7.412
117 2HA GLY 22 2HA GLY 22 -5.172 0.684 8.555
118 HA PRO 23 HA PRO 23 -5.386 -2.844 5.885
119 1HB PRO 23 1HB PRO 23 -6.098 -2.054 3.363
120 2HB PRO 23 2HB PRO 23 -7.207 -2.033 4.750
121 1HG PRO 23 1HG PRO 23 -5.685 0.287 3.571
122 2HG PRO 23 2HG PRO 23 -7.380 0.230 4.143
123 1HD PRO 23 1HD PRO 23 -5.355 1.237 5.667
124 2HD PRO 23 2HD PRO 23 -6.729 0.424 6.377
125 H CYS 24 H CYS 24 -3.780 -0.273 3.908
126 HA CYS 24 HA CYS 24 -1.880 -2.278 2.885
127 1HB CYS 24 1HB CYS 24 -3.034 -0.205 1.508
128 2HB CYS 24 2HB CYS 24 -1.516 0.529 1.990
129 H ALA 25 H ALA 25 -1.154 -2.605 5.123
130 HA ALA 25 HA ALA 25 0.928 -0.601 5.848
131 1HB ALA 25 1HB ALA 25 -0.387 -2.667 7.617
132 2HB ALA 25 2HB ALA 25 -0.734 -0.914 7.616
133 3HB ALA 25 3HB ALA 25 0.876 -1.511 8.092
134 H ASN 26 H ASN 26 0.363 -4.155 5.609
135 HA ASN 26 HA ASN 26 3.127 -4.670 6.154
136 1HB ASN 26 1HB ASN 26 2.585 -7.010 5.679
137 2HB ASN 26 2HB ASN 26 1.332 -6.268 6.661
138 1HD2 ASN 26 2HD2 ASN 26 0.183 -8.284 5.906
139 2HD2 ASN 26 1HD2 ASN 26 -0.796 -8.103 4.458
140 H CYS 27 H CYS 27 1.962 -3.365 3.330
141 HA CYS 27 HA CYS 27 4.009 -4.642 1.547
142 1HB CYS 27 1HB CYS 27 1.953 -2.722 0.696
143 2HB CYS 27 2HB CYS 27 3.205 -3.478 -0.211
144 H LEU 28 H LEU 28 4.054 -2.134 3.996
145 HA LEU 28 HA LEU 28 6.046 -0.585 2.539
146 1HB LEU 28 1HB LEU 28 4.758 -0.505 5.304
147 2HB LEU 28 2HB LEU 28 6.048 0.579 4.837
148 HG LEU 28 HG LEU 28 3.833 1.505 4.664
149 1HD1 LEU 28 1HD1 LEU 28 5.871 2.121 3.082
150 2HD1 LEU 28 2HD1 LEU 28 4.805 1.387 1.858
151 3HD1 LEU 28 3HD1 LEU 28 4.248 2.804 2.750
152 1HD2 LEU 28 1HD2 LEU 28 2.659 -0.490 3.814
153 2HD2 LEU 28 2HD2 LEU 28 2.239 1.016 3.030
154 3HD2 LEU 28 3HD2 LEU 28 3.334 -0.131 2.187
155 H ALA 29 H ALA 29 5.954 -2.320 5.657
156 HA ALA 29 HA ALA 29 8.564 -1.548 6.371
157 1HB ALA 29 1HB ALA 29 8.142 -3.020 8.328
158 2HB ALA 29 2HB ALA 29 6.746 -3.726 7.484
159 3HB ALA 29 3HB ALA 29 6.729 -2.012 7.960
160 H GLY 30 H GLY 30 7.650 -4.126 4.349
161 1HA GLY 30 1HA GLY 30 9.240 -6.279 4.821
162 2HA GLY 30 2HA GLY 30 10.359 -5.087 4.098
163 H TYR 31 H TYR 31 9.858 -4.189 1.982
164 HA TYR 31 HA TYR 31 7.663 -5.621 0.522
165 1HB TYR 31 1HB TYR 31 6.859 -3.631 -0.157
166 2HB TYR 31 2HB TYR 31 7.281 -3.209 1.494
167 HD1 TYR 31 HD1 TYR 31 6.730 -1.457 -0.791
168 HD2 TYR 31 HD2 TYR 31 10.444 -3.014 0.582
169 HE1 TYR 31 HE1 TYR 31 7.891 0.392 -1.995
170 HE2 TYR 31 HE2 TYR 31 11.654 -1.150 -0.511
171 HH TYR 31 HH TYR 31 11.422 0.276 -2.338
172 HA PRO 32 HA PRO 32 11.550 -5.207 -1.956
173 1HB PRO 32 1HB PRO 32 12.679 -7.682 -2.018
174 2HB PRO 32 2HB PRO 32 13.000 -6.509 -0.721
175 1HG PRO 32 1HG PRO 32 11.078 -8.855 -0.683
176 2HG PRO 32 2HG PRO 32 12.207 -8.287 0.599
177 1HD PRO 32 1HD PRO 32 9.539 -7.643 0.602
178 2HD PRO 32 2HD PRO 32 10.830 -6.597 1.257
179 H ALA 33 H ALA 33 9.211 -7.817 -1.823
180 HA ALA 33 HA ALA 33 9.027 -8.183 -4.749
181 1HB ALA 33 1HB ALA 33 7.553 -10.047 -4.076
182 2HB ALA 33 2HB ALA 33 9.104 -10.134 -3.208
183 3HB ALA 33 3HB ALA 33 7.647 -9.502 -2.382
184 H GLY 34 H GLY 34 7.803 -5.884 -2.644
185 1HA GLY 34 1HA GLY 34 5.813 -4.768 -2.340
186 2HA GLY 34 2HA GLY 34 5.020 -6.333 -2.618
187 H CYS 35 H CYS 35 7.034 -4.831 -5.058
188 HA CYS 35 HA CYS 35 5.146 -3.384 -6.578
189 1HB CYS 35 1HB CYS 35 7.585 -4.894 -7.543
190 2HB CYS 35 2HB CYS 35 6.937 -3.396 -8.225
191 H SER 36 H SER 36 5.891 -6.850 -6.416
192 HA SER 36 HA SER 36 4.250 -7.451 -8.773
193 1HB SER 36 1HB SER 36 6.330 -8.911 -7.129
194 2HB SER 36 2HB SER 36 5.338 -9.712 -8.352
195 HG SER 36 HG SER 36 6.190 -8.398 -9.916
196 H ASN 37 H ASN 37 3.745 -6.878 -5.546
197 HA ASN 37 HA ASN 37 1.580 -8.881 -5.352
198 1HB ASN 37 1HB ASN 37 3.068 -7.458 -3.299
199 2HB ASN 37 2HB ASN 37 1.355 -7.090 -3.191
200 1HD2 ASN 37 2HD2 ASN 37 -0.129 -8.683 -2.538
201 2HD2 ASN 37 1HD2 ASN 37 0.333 -10.326 -2.232
202 H SER 38 H SER 38 0.601 -8.104 -7.320
203 HA SER 38 HA SER 38 0.039 -5.581 -8.122
204 1HB SER 38 1HB SER 38 -1.735 -7.924 -8.347
205 2HB SER 38 2HB SER 38 -1.733 -6.480 -9.390
206 HG SER 38 HG SER 38 -0.462 -8.411 -10.100
207 H ASP 39 H ASP 39 -1.614 -7.171 -5.416
208 HA ASP 39 HA ASP 39 -3.792 -5.377 -5.067
209 1HB ASP 39 1HB ASP 39 -3.481 -7.523 -3.887
210 2HB ASP 39 2HB ASP 39 -2.129 -6.860 -2.986
211 H CYS 40 H CYS 40 -0.393 -5.102 -4.167
212 HA CYS 40 HA CYS 40 -0.742 -2.616 -2.588
213 1HB CYS 40 1HB CYS 40 1.340 -4.833 -2.699
214 2HB CYS 40 2HB CYS 40 1.719 -3.322 -1.872
215 H THR 41 H THR 41 0.412 -3.861 -5.625
216 HA THR 41 HA THR 41 2.531 -2.316 -6.157
217 HB THR 41 HB THR 41 0.270 -3.357 -7.891
218 HG1 THR 41 HG1 THR 41 2.846 -4.433 -7.806
219 1HG2 THR 41 1HG2 THR 41 3.003 -2.486 -8.867
220 2HG2 THR 41 2HG2 THR 41 1.785 -3.457 -9.758
221 3HG2 THR 41 3HG2 THR 41 1.427 -1.765 -9.308
222 H ALA 42 H ALA 42 -0.924 -1.193 -6.806
223 HA ALA 42 HA ALA 42 -0.035 1.208 -8.083
224 1HB ALA 42 1HB ALA 42 -2.310 0.427 -8.425
225 2HB ALA 42 2HB ALA 42 -2.343 2.017 -7.649
226 3HB ALA 42 3HB ALA 42 -2.669 0.564 -6.685
227 H PHE 43 H PHE 43 -0.993 0.441 -4.728
228 HA PHE 43 HA PHE 43 -0.601 3.001 -3.575
229 1HB PHE 43 1HB PHE 43 -1.696 1.188 -2.341
230 2HB PHE 43 2HB PHE 43 -0.244 0.213 -2.361
231 HD1 PHE 43 HD1 PHE 43 -1.991 2.741 -0.412
232 HD2 PHE 43 HD2 PHE 43 1.763 0.820 -1.230
233 HE1 PHE 43 HE1 PHE 43 -1.110 3.504 1.776
234 HE2 PHE 43 HE2 PHE 43 2.691 1.703 0.885
235 HZ PHE 43 HZ PHE 43 1.249 3.005 2.417
236 H LEU 44 H LEU 44 1.815 0.297 -3.953
237 HA LEU 44 HA LEU 44 3.810 1.924 -2.790
238 1HB LEU 44 1HB LEU 44 4.015 -0.598 -4.481
239 2HB LEU 44 2HB LEU 44 5.381 0.143 -3.653
240 HG LEU 44 HG LEU 44 2.899 -0.952 -2.266
241 1HD1 LEU 44 1HD1 LEU 44 5.703 -2.016 -2.741
242 2HD1 LEU 44 2HD1 LEU 44 4.642 -2.651 -1.478
243 3HD1 LEU 44 3HD1 LEU 44 4.142 -2.733 -3.176
244 1HD2 LEU 44 1HD2 LEU 44 3.891 0.975 -0.996
245 2HD2 LEU 44 2HD2 LEU 44 3.988 -0.548 -0.177
246 3HD2 LEU 44 3HD2 LEU 44 5.421 0.121 -1.000
247 H SER 45 H SER 45 2.951 1.444 -6.187
248 HA SER 45 HA SER 45 5.122 2.777 -7.406
249 1HB SER 45 1HB SER 45 3.277 1.601 -8.565
250 2HB SER 45 2HB SER 45 2.143 2.850 -8.093
251 HG SER 45 HG SER 45 2.970 4.200 -9.503
252 H GLN 46 H GLN 46 2.156 4.001 -5.885
253 HA GLN 46 HA GLN 46 2.839 6.770 -6.306
254 1HB GLN 46 1HB GLN 46 0.651 5.296 -4.819
255 2HB GLN 46 2HB GLN 46 0.786 7.058 -4.738
256 1HG GLN 46 1HG GLN 46 0.633 7.302 -7.119
257 2HG GLN 46 2HG GLN 46 0.863 5.586 -7.414
258 1HE2 GLN 46 2HE2 GLN 46 -0.898 4.116 -6.570
259 2HE2 GLN 46 1HE2 GLN 46 -2.520 4.654 -6.985
260 H CYS 47 H CYS 47 3.091 4.697 -3.398
261 HA CYS 47 HA CYS 47 4.097 6.973 -1.872
262 1HB CYS 47 1HB CYS 47 4.207 4.181 -0.750
263 2HB CYS 47 2HB CYS 47 3.889 5.746 0.023
264 H TYR 48 H TYR 48 5.764 4.632 -3.762
265 HA TYR 48 HA TYR 48 8.375 5.318 -2.452
266 1HB TYR 48 1HB TYR 48 7.404 2.638 -3.338
267 2HB TYR 48 2HB TYR 48 9.095 3.044 -3.240
268 HD1 TYR 48 HD1 TYR 48 6.141 2.233 -1.351
269 HD2 TYR 48 HD2 TYR 48 10.194 3.636 -1.085
270 HE1 TYR 48 HE1 TYR 48 6.416 1.127 0.807
271 HE2 TYR 48 HE2 TYR 48 10.382 2.762 1.206
272 HH TYR 48 HH TYR 48 8.421 0.353 2.401
273 H GLY 49 H GLY 49 6.621 4.415 -5.452
274 1HA GLY 49 1HA GLY 49 9.075 4.929 -7.072
275 2HA GLY 49 2HA GLY 49 7.457 5.422 -7.575
276 H GLY 50 H GLY 50 7.731 2.430 -5.760
277 1HA GLY 50 1HA GLY 50 6.656 0.885 -7.967
278 2HA GLY 50 2HA GLY 50 7.056 0.303 -6.345
279 H CYS 51 H CYS 51 9.271 -0.112 -5.835
280 HA CYS 51 HA CYS 51 11.323 -0.997 -6.140
281 1HB CYS 51 1HB CYS 51 10.049 -2.201 -8.601
282 2HB CYS 51 2HB CYS 51 11.642 -2.590 -7.993
No H/Q in entry = 282
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 -10.087 -8.342 -0.649
2 H2 GLY 1 H2 GLY 1 -9.908 -7.791 -2.180
3 H3 GLY 1 H3 GLY 1 -9.320 -9.280 -1.774
4 1HA GLY 1 1HA GLY 1 -7.610 -7.555 -1.988
5 2HA GLY 1 2HA GLY 1 -7.621 -8.356 -0.418
6 H GLU 2 H GLU 2 -6.383 -6.036 -0.298
7 HA GLU 2 HA GLU 2 -8.344 -4.633 1.431
8 1HB GLU 2 1HB GLU 2 -6.711 -4.588 3.184
9 2HB GLU 2 2HB GLU 2 -7.091 -6.228 2.639
10 1HG GLU 2 1HG GLU 2 -5.048 -5.995 1.134
11 2HG GLU 2 2HG GLU 2 -4.572 -4.602 2.113
12 H CYS 3 H CYS 3 -5.360 -4.218 -0.459
13 HA CYS 3 HA CYS 3 -5.156 -1.452 0.469
14 1HB CYS 3 1HB CYS 3 -3.180 -2.758 0.349
15 2HB CYS 3 2HB CYS 3 -3.459 -3.187 -1.326
16 H GLU 4 H GLU 4 -5.853 -3.093 -2.659
17 HA GLU 4 HA GLU 4 -6.493 -0.750 -4.185
18 1HB GLU 4 1HB GLU 4 -7.748 -3.507 -4.240
19 2HB GLU 4 2HB GLU 4 -8.081 -2.269 -5.428
20 1HG GLU 4 1HG GLU 4 -5.753 -2.282 -6.194
21 2HG GLU 4 2HG GLU 4 -5.336 -3.470 -4.948
22 H GLN 5 H GLN 5 -8.362 -2.672 -1.858
23 HA GLN 5 HA GLN 5 -10.872 -1.466 -2.233
24 1HB GLN 5 1HB GLN 5 -10.245 -3.611 -0.994
25 2HB GLN 5 2HB GLN 5 -9.737 -2.617 0.365
26 1HG GLN 5 1HG GLN 5 -11.935 -3.497 0.783
27 2HG GLN 5 2HG GLN 5 -12.032 -1.747 0.603
28 1HE2 GLN 5 2HE2 GLN 5 -13.424 -0.907 -1.105
29 2HE2 GLN 5 1HE2 GLN 5 -14.082 -1.952 -2.329
30 H CYS 6 H CYS 6 -8.076 -0.331 -0.428
31 HA CYS 6 HA CYS 6 -9.557 1.768 0.976
32 1HB CYS 6 1HB CYS 6 -7.377 0.507 1.649
33 2HB CYS 6 2HB CYS 6 -6.582 1.631 0.566
34 H PHE 7 H PHE 7 -7.596 1.407 -2.005
35 HA PHE 7 HA PHE 7 -7.628 4.187 -2.743
36 1HB PHE 7 1HB PHE 7 -6.817 1.615 -3.963
37 2HB PHE 7 2HB PHE 7 -7.496 2.740 -5.115
38 HD1 PHE 7 HD1 PHE 7 -6.512 5.026 -5.422
39 HD2 PHE 7 HD2 PHE 7 -4.632 2.075 -2.885
40 HE1 PHE 7 HE1 PHE 7 -4.438 6.365 -5.399
41 HE2 PHE 7 HE2 PHE 7 -2.536 3.415 -2.959
42 HZ PHE 7 HZ PHE 7 -2.429 5.543 -4.172
43 H SER 8 H SER 8 -10.007 1.519 -3.266
44 HA SER 8 HA SER 8 -11.830 2.983 -4.885
45 1HB SER 8 1HB SER 8 -12.260 0.886 -2.716
46 2HB SER 8 2HB SER 8 -13.585 1.613 -3.623
47 HG SER 8 HG SER 8 -13.224 0.160 -4.983
48 H ASP 9 H ASP 9 -11.183 3.155 -1.383
49 HA ASP 9 HA ASP 9 -13.461 4.971 -0.933
50 1HB ASP 9 1HB ASP 9 -12.654 2.980 0.535
51 2HB ASP 9 2HB ASP 9 -11.407 4.065 1.117
52 H GLY 10 H GLY 10 -11.482 5.918 -2.677
53 1HA GLY 10 1HA GLY 10 -11.048 8.503 -1.616
54 2HA GLY 10 2HA GLY 10 -10.480 7.907 -3.177
55 H GLY 11 H GLY 11 -9.049 5.771 -1.080
56 1HA GLY 11 1HA GLY 11 -7.259 5.749 0.291
57 2HA GLY 11 2HA GLY 11 -7.368 7.514 0.405
58 H ASP 12 H ASP 12 -5.409 8.342 -0.030
59 HA ASP 12 HA ASP 12 -3.961 7.689 -2.503
60 1HB ASP 12 1HB ASP 12 -3.624 9.731 -0.325
61 2HB ASP 12 2HB ASP 12 -2.358 9.456 -1.522
62 H CYS 13 H CYS 13 -2.101 8.508 0.361
63 HA CYS 13 HA CYS 13 -0.855 5.792 0.400
64 1HB CYS 13 1HB CYS 13 0.429 8.550 0.270
65 2HB CYS 13 2HB CYS 13 1.313 7.090 0.697
66 H THR 14 H THR 14 -1.221 8.890 2.241
67 HA THR 14 HA THR 14 -0.337 7.725 4.720
68 HB THR 14 HB THR 14 -2.130 10.130 4.198
69 HG1 THR 14 HG1 THR 14 0.617 9.679 4.006
70 1HG2 THR 14 1HG2 THR 14 -0.346 9.471 6.584
71 2HG2 THR 14 2HG2 THR 14 -1.265 10.975 6.342
72 3HG2 THR 14 3HG2 THR 14 -2.117 9.448 6.584
73 H THR 15 H THR 15 -3.670 8.444 3.448
74 HA THR 15 HA THR 15 -4.852 7.431 5.841
75 HB THR 15 HB THR 15 -5.468 9.290 4.194
76 HG1 THR 15 HG1 THR 15 -7.867 8.384 4.329
77 1HG2 THR 15 1HG2 THR 15 -5.397 8.063 2.088
78 2HG2 THR 15 2HG2 THR 15 -6.845 7.163 2.571
79 3HG2 THR 15 3HG2 THR 15 -6.921 8.915 2.356
80 H CYS 16 H CYS 16 -3.333 5.395 4.380
81 HA CYS 16 HA CYS 16 -5.152 3.092 4.519
82 1HB CYS 16 1HB CYS 16 -3.633 3.884 1.992
83 2HB CYS 16 2HB CYS 16 -4.382 2.322 2.235
84 H PHE 17 H PHE 17 -1.990 4.641 4.788
85 HA PHE 17 HA PHE 17 -0.701 2.106 5.436
86 1HB PHE 17 1HB PHE 17 0.664 3.998 4.625
87 2HB PHE 17 2HB PHE 17 0.134 4.999 5.980
88 HD1 PHE 17 HD1 PHE 17 1.938 5.175 7.720
89 HD2 PHE 17 HD2 PHE 17 1.283 1.512 5.563
90 HE1 PHE 17 HE1 PHE 17 3.825 4.107 8.899
91 HE2 PHE 17 HE2 PHE 17 3.118 0.411 6.824
92 HZ PHE 17 HZ PHE 17 4.380 1.712 8.500
93 H ASN 18 H ASN 18 -2.097 4.980 7.056
94 HA ASN 18 HA ASN 18 -2.860 5.358 9.167
95 1HB ASN 18 1HB ASN 18 -4.545 3.701 8.239
96 2HB ASN 18 2HB ASN 18 -3.524 2.484 9.062
97 1HD2 ASN 18 2HD2 ASN 18 -6.252 2.650 9.607
98 2HD2 ASN 18 1HD2 ASN 18 -6.417 3.167 11.281
99 H ASN 19 H ASN 19 -0.357 5.174 9.244
100 HA ASN 19 HA ASN 19 1.477 4.238 9.776
101 1HB ASN 19 1HB ASN 19 0.614 5.973 11.525
102 2HB ASN 19 2HB ASN 19 1.010 4.691 12.685
103 1HD2 ASN 19 2HD2 ASN 19 3.270 4.896 13.392
104 2HD2 ASN 19 1HD2 ASN 19 4.443 5.740 12.394
105 H GLY 20 H GLY 20 0.944 2.183 8.957
106 1HA GLY 20 1HA GLY 20 2.190 0.194 10.556
107 2HA GLY 20 2HA GLY 20 1.557 0.024 8.939
108 H THR 21 H THR 21 -1.061 1.140 10.516
109 HA THR 21 HA THR 21 -2.128 -1.555 11.246
110 HB THR 21 HB THR 21 -3.613 -0.373 12.883
111 HG1 THR 21 HG1 THR 21 -2.543 1.829 11.928
112 1HG2 THR 21 1HG2 THR 21 -1.542 -1.655 13.504
113 2HG2 THR 21 2HG2 THR 21 -0.642 -0.134 13.495
114 3HG2 THR 21 3HG2 THR 21 -1.971 -0.370 14.647
115 H GLY 22 H GLY 22 -2.091 0.091 8.679
116 1HA GLY 22 1HA GLY 22 -3.761 1.039 7.249
117 2HA GLY 22 2HA GLY 22 -5.022 0.191 8.168
118 HA PRO 23 HA PRO 23 -4.771 -3.133 5.362
119 1HB PRO 23 1HB PRO 23 -5.483 -2.236 2.850
120 2HB PRO 23 2HB PRO 23 -6.622 -2.454 4.215
121 1HG PRO 23 1HG PRO 23 -5.332 0.097 3.224
122 2HG PRO 23 2HG PRO 23 -7.020 -0.171 3.760
123 1HD PRO 23 1HD PRO 23 -5.130 0.930 5.391
124 2HD PRO 23 2HD PRO 23 -6.429 -0.077 6.010
125 H CYS 24 H CYS 24 -3.300 -0.308 3.641
126 HA CYS 24 HA CYS 24 -1.281 -2.127 2.459
127 1HB CYS 24 1HB CYS 24 -2.576 0.135 1.418
128 2HB CYS 24 2HB CYS 24 -0.953 0.694 1.767
129 H ALA 25 H ALA 25 -0.820 -2.484 4.818
130 HA ALA 25 HA ALA 25 1.156 -0.499 5.874
131 1HB ALA 25 1HB ALA 25 -0.502 -2.645 7.227
132 2HB ALA 25 2HB ALA 25 -0.554 -0.869 7.507
133 3HB ALA 25 3HB ALA 25 0.860 -1.830 8.004
134 H ASN 26 H ASN 26 0.703 -4.087 5.581
135 HA ASN 26 HA ASN 26 3.428 -4.527 6.314
136 1HB ASN 26 1HB ASN 26 1.516 -6.332 4.738
137 2HB ASN 26 2HB ASN 26 3.110 -6.814 5.339
138 1HD2 ASN 26 2HD2 ASN 26 -0.272 -6.186 6.333
139 2HD2 ASN 26 1HD2 ASN 26 0.038 -6.544 8.018
140 H CYS 27 H CYS 27 1.888 -3.894 3.249
141 HA CYS 27 HA CYS 27 4.006 -4.526 1.434
142 1HB CYS 27 1HB CYS 27 1.763 -2.542 0.990
143 2HB CYS 27 2HB CYS 27 2.845 -3.257 -0.153
144 H LEU 28 H LEU 28 4.438 -2.429 3.966
145 HA LEU 28 HA LEU 28 5.781 -0.323 2.319
146 1HB LEU 28 1HB LEU 28 4.619 -0.244 5.144
147 2HB LEU 28 2HB LEU 28 5.535 1.020 4.437
148 HG LEU 28 HG LEU 28 2.801 0.729 4.381
149 1HD1 LEU 28 1HD1 LEU 28 4.134 2.794 4.268
150 2HD1 LEU 28 2HD1 LEU 28 4.498 2.434 2.550
151 3HD1 LEU 28 3HD1 LEU 28 2.830 2.785 3.074
152 1HD2 LEU 28 1HD2 LEU 28 3.640 0.249 1.548
153 2HD2 LEU 28 2HD2 LEU 28 2.594 -0.788 2.580
154 3HD2 LEU 28 3HD2 LEU 28 2.028 0.772 2.099
155 H ALA 29 H ALA 29 6.123 -2.380 5.201
156 HA ALA 29 HA ALA 29 8.684 -1.184 5.945
157 1HB ALA 29 1HB ALA 29 8.449 -2.861 7.811
158 2HB ALA 29 2HB ALA 29 6.879 -3.348 7.112
159 3HB ALA 29 3HB ALA 29 7.135 -1.684 7.699
160 H GLY 30 H GLY 30 8.059 -4.649 6.135
161 1HA GLY 30 1HA GLY 30 9.193 -6.452 5.296
162 2HA GLY 30 2HA GLY 30 10.410 -5.374 4.588
163 H TYR 31 H TYR 31 9.520 -3.934 2.726
164 HA TYR 31 HA TYR 31 7.503 -5.457 1.103
165 1HB TYR 31 1HB TYR 31 6.721 -3.463 0.439
166 2HB TYR 31 2HB TYR 31 7.187 -3.056 2.071
167 HD1 TYR 31 HD1 TYR 31 10.281 -2.812 1.229
168 HD2 TYR 31 HD2 TYR 31 6.632 -1.408 -0.494
169 HE1 TYR 31 HE1 TYR 31 11.502 -0.865 0.214
170 HE2 TYR 31 HE2 TYR 31 7.857 0.326 -1.782
171 HH TYR 31 HH TYR 31 10.101 0.754 -2.404
172 HA PRO 32 HA PRO 32 11.480 -5.037 -1.249
173 1HB PRO 32 1HB PRO 32 12.684 -7.527 -1.249
174 2HB PRO 32 2HB PRO 32 12.936 -6.295 0.027
175 1HG PRO 32 1HG PRO 32 11.091 -8.658 0.075
176 2HG PRO 32 2HG PRO 32 12.162 -8.041 1.378
177 1HD PRO 32 1HD PRO 32 9.455 -7.471 1.254
178 2HD PRO 32 2HD PRO 32 10.692 -6.381 1.951
179 H ALA 33 H ALA 33 9.053 -7.530 -1.162
180 HA ALA 33 HA ALA 33 9.090 -8.077 -4.081
181 1HB ALA 33 1HB ALA 33 7.579 -9.929 -3.445
182 2HB ALA 33 2HB ALA 33 9.090 -9.998 -2.520
183 3HB ALA 33 3HB ALA 33 7.600 -9.369 -1.755
184 H GLY 34 H GLY 34 7.739 -5.677 -2.218
185 1HA GLY 34 1HA GLY 34 5.737 -4.534 -2.196
186 2HA GLY 34 2HA GLY 34 4.964 -6.097 -2.359
187 H CYS 35 H CYS 35 7.125 -4.820 -4.934
188 HA CYS 35 HA CYS 35 5.076 -3.653 -6.542
189 1HB CYS 35 1HB CYS 35 7.686 -4.945 -7.377
190 2HB CYS 35 2HB CYS 35 6.717 -3.847 -8.343
191 H SER 36 H SER 36 6.004 -7.125 -6.087
192 HA SER 36 HA SER 36 4.584 -7.842 -8.493
193 1HB SER 36 1HB SER 36 5.434 -9.964 -8.056
194 2HB SER 36 2HB SER 36 6.694 -8.832 -7.582
195 HG SER 36 HG SER 36 4.937 -10.152 -5.771
196 H ASN 37 H ASN 37 3.843 -7.049 -5.337
197 HA ASN 37 HA ASN 37 1.588 -8.908 -4.896
198 1HB ASN 37 1HB ASN 37 3.073 -7.347 -3.019
199 2HB ASN 37 2HB ASN 37 1.710 -6.473 -3.175
200 1HD2 ASN 37 2HD2 ASN 37 -0.337 -7.136 -2.443
201 2HD2 ASN 37 1HD2 ASN 37 -0.600 -8.655 -1.639
202 H SER 38 H SER 38 0.351 -8.389 -6.917
203 HA SER 38 HA SER 38 -0.183 -5.905 -7.920
204 1HB SER 38 1HB SER 38 -1.909 -8.301 -7.867
205 2HB SER 38 2HB SER 38 -2.077 -6.971 -9.021
206 HG SER 38 HG SER 38 -0.741 -8.825 -9.742
207 H ASP 39 H ASP 39 -1.753 -7.264 -5.081
208 HA ASP 39 HA ASP 39 -3.998 -5.509 -4.800
209 1HB ASP 39 1HB ASP 39 -3.384 -7.675 -3.510
210 2HB ASP 39 2HB ASP 39 -2.331 -6.672 -2.530
211 H CYS 40 H CYS 40 -0.567 -5.174 -3.961
212 HA CYS 40 HA CYS 40 -0.917 -2.587 -2.573
213 1HB CYS 40 1HB CYS 40 1.281 -4.730 -2.469
214 2HB CYS 40 2HB CYS 40 1.442 -3.147 -1.746
215 H THR 41 H THR 41 0.496 -4.131 -5.415
216 HA THR 41 HA THR 41 2.592 -2.617 -6.012
217 HB THR 41 HB THR 41 0.415 -3.830 -7.727
218 HG1 THR 41 HG1 THR 41 2.655 -5.162 -7.834
219 1HG2 THR 41 1HG2 THR 41 3.164 -3.028 -8.706
220 2HG2 THR 41 2HG2 THR 41 1.958 -4.104 -9.485
221 3HG2 THR 41 3HG2 THR 41 1.591 -2.383 -9.264
222 H ALA 42 H ALA 42 -0.815 -1.581 -6.779
223 HA ALA 42 HA ALA 42 0.156 0.639 -8.375
224 1HB ALA 42 1HB ALA 42 -2.057 -0.430 -8.763
225 2HB ALA 42 2HB ALA 42 -2.631 0.239 -7.211
226 3HB ALA 42 3HB ALA 42 -2.142 1.325 -8.525
227 H PHE 43 H PHE 43 -0.974 0.221 -5.018
228 HA PHE 43 HA PHE 43 -0.691 2.944 -4.173
229 1HB PHE 43 1HB PHE 43 -1.787 1.281 -2.775
230 2HB PHE 43 2HB PHE 43 -0.332 0.316 -2.709
231 HD1 PHE 43 HD1 PHE 43 -2.185 2.800 -0.886
232 HD2 PHE 43 HD2 PHE 43 1.699 1.177 -1.618
233 HE1 PHE 43 HE1 PHE 43 -1.389 3.719 1.260
234 HE2 PHE 43 HE2 PHE 43 2.568 2.256 0.440
235 HZ PHE 43 HZ PHE 43 1.030 3.459 1.908
236 H LEU 44 H LEU 44 1.768 0.239 -3.858
237 HA LEU 44 HA LEU 44 3.733 1.994 -3.073
238 1HB LEU 44 1HB LEU 44 4.178 -0.585 -4.622
239 2HB LEU 44 2HB LEU 44 5.345 0.236 -3.627
240 HG LEU 44 HG LEU 44 2.756 -1.013 -2.588
241 1HD1 LEU 44 1HD1 LEU 44 5.626 -1.964 -2.537
242 2HD1 LEU 44 2HD1 LEU 44 4.293 -2.696 -1.628
243 3HD1 LEU 44 3HD1 LEU 44 4.251 -2.677 -3.395
244 1HD2 LEU 44 1HD2 LEU 44 3.719 0.993 -1.222
245 2HD2 LEU 44 2HD2 LEU 44 3.326 -0.523 -0.451
246 3HD2 LEU 44 3HD2 LEU 44 5.016 -0.132 -0.853
247 H SER 45 H SER 45 2.943 1.183 -6.411
248 HA SER 45 HA SER 45 5.088 2.350 -7.799
249 1HB SER 45 1HB SER 45 3.082 1.070 -8.683
250 2HB SER 45 2HB SER 45 2.170 2.576 -8.602
251 HG SER 45 HG SER 45 3.482 3.446 -10.130
252 H GLN 46 H GLN 46 2.201 3.875 -6.375
253 HA GLN 46 HA GLN 46 3.057 6.582 -7.015
254 1HB GLN 46 1HB GLN 46 0.875 5.596 -5.136
255 2HB GLN 46 2HB GLN 46 1.154 7.265 -5.639
256 1HG GLN 46 1HG GLN 46 0.966 6.459 -8.057
257 2HG GLN 46 2HG GLN 46 0.395 4.920 -7.440
258 1HE2 GLN 46 2HE2 GLN 46 -1.875 4.736 -7.038
259 2HE2 GLN 46 1HE2 GLN 46 -2.919 6.138 -7.066
260 H CYS 47 H CYS 47 2.584 5.035 -3.827
261 HA CYS 47 HA CYS 47 3.795 7.086 -2.457
262 1HB CYS 47 1HB CYS 47 3.629 4.267 -1.341
263 2HB CYS 47 2HB CYS 47 3.457 5.805 -0.508
264 H TYR 48 H TYR 48 5.509 4.392 -3.876
265 HA TYR 48 HA TYR 48 8.050 5.228 -2.511
266 1HB TYR 48 1HB TYR 48 7.151 2.498 -3.400
267 2HB TYR 48 2HB TYR 48 8.815 2.922 -3.099
268 HD1 TYR 48 HD1 TYR 48 9.506 3.817 -0.796
269 HD2 TYR 48 HD2 TYR 48 5.696 2.006 -1.605
270 HE1 TYR 48 HE1 TYR 48 9.250 3.303 1.614
271 HE2 TYR 48 HE2 TYR 48 5.505 1.315 0.765
272 HH TYR 48 HH TYR 48 7.647 1.232 2.933
273 H GLY 49 H GLY 49 6.406 4.691 -5.553
274 1HA GLY 49 1HA GLY 49 8.927 5.238 -7.050
275 2HA GLY 49 2HA GLY 49 7.310 5.580 -7.644
276 H GLY 50 H GLY 50 7.306 2.648 -5.933
277 1HA GLY 50 1HA GLY 50 6.878 1.069 -8.308
278 2HA GLY 50 2HA GLY 50 6.927 0.484 -6.635
279 H CYS 51 H CYS 51 9.165 0.469 -5.628
280 HA CYS 51 HA CYS 51 11.344 -0.128 -5.600
281 1HB CYS 51 1HB CYS 51 11.887 -2.193 -7.040
282 2HB CYS 51 2HB CYS 51 10.816 -2.345 -5.683
No H/Q in entry = 282
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 -8.288 -6.533 -3.844
2 H2 GLY 1 H2 GLY 1 -6.691 -6.172 -3.765
3 H3 GLY 1 H3 GLY 1 -7.168 -7.704 -4.149
4 1HA GLY 1 1HA GLY 1 -6.359 -7.540 -1.871
5 2HA GLY 1 2HA GLY 1 -8.058 -8.032 -1.953
6 H GLU 2 H GLU 2 -6.732 -6.717 0.324
7 HA GLU 2 HA GLU 2 -8.686 -4.723 0.884
8 1HB GLU 2 1HB GLU 2 -7.477 -4.397 2.954
9 2HB GLU 2 2HB GLU 2 -7.873 -6.082 2.627
10 1HG GLU 2 1HG GLU 2 -5.243 -5.415 1.514
11 2HG GLU 2 2HG GLU 2 -5.345 -4.966 3.199
12 H CYS 3 H CYS 3 -5.399 -4.449 -0.471
13 HA CYS 3 HA CYS 3 -5.141 -1.679 0.408
14 1HB CYS 3 1HB CYS 3 -3.210 -3.143 0.137
15 2HB CYS 3 2HB CYS 3 -3.583 -3.355 -1.563
16 H GLU 4 H GLU 4 -5.986 -3.405 -2.620
17 HA GLU 4 HA GLU 4 -6.810 -1.185 -4.193
18 1HB GLU 4 1HB GLU 4 -7.769 -4.057 -3.989
19 2HB GLU 4 2HB GLU 4 -8.429 -2.924 -5.160
20 1HG GLU 4 1HG GLU 4 -6.358 -2.699 -6.296
21 2HG GLU 4 2HG GLU 4 -5.464 -3.553 -5.033
22 H GLN 5 H GLN 5 -8.582 -3.054 -1.658
23 HA GLN 5 HA GLN 5 -11.089 -1.802 -2.015
24 1HB GLN 5 1HB GLN 5 -10.342 -3.861 -0.507
25 2HB GLN 5 2HB GLN 5 -10.109 -2.634 0.731
26 1HG GLN 5 1HG GLN 5 -12.254 -3.225 1.215
27 2HG GLN 5 2HG GLN 5 -12.627 -1.966 0.034
28 1HE2 GLN 5 2HE2 GLN 5 -13.373 -2.675 -2.173
29 2HE2 GLN 5 1HE2 GLN 5 -13.750 -4.335 -2.456
30 H CYS 6 H CYS 6 -8.318 -0.855 -0.004
31 HA CYS 6 HA CYS 6 -9.605 1.429 1.189
32 1HB CYS 6 1HB CYS 6 -7.527 0.003 1.908
33 2HB CYS 6 2HB CYS 6 -6.633 1.079 0.861
34 H PHE 7 H PHE 7 -7.557 0.954 -1.709
35 HA PHE 7 HA PHE 7 -7.372 3.718 -2.446
36 1HB PHE 7 1HB PHE 7 -6.705 1.124 -3.635
37 2HB PHE 7 2HB PHE 7 -7.489 2.147 -4.824
38 HD1 PHE 7 HD1 PHE 7 -6.334 3.970 -5.852
39 HD2 PHE 7 HD2 PHE 7 -4.683 2.063 -2.354
40 HE1 PHE 7 HE1 PHE 7 -4.238 5.198 -6.193
41 HE2 PHE 7 HE2 PHE 7 -2.574 3.367 -2.686
42 HZ PHE 7 HZ PHE 7 -2.318 4.925 -4.557
43 H SER 8 H SER 8 -9.829 1.220 -3.148
44 HA SER 8 HA SER 8 -11.456 2.721 -4.881
45 1HB SER 8 1HB SER 8 -11.595 0.213 -3.490
46 2HB SER 8 2HB SER 8 -13.068 1.089 -3.072
47 HG SER 8 HG SER 8 -13.745 0.907 -5.047
48 H ASP 9 H ASP 9 -11.176 2.827 -1.357
49 HA ASP 9 HA ASP 9 -13.378 4.765 -1.070
50 1HB ASP 9 1HB ASP 9 -12.722 2.887 0.550
51 2HB ASP 9 2HB ASP 9 -11.363 3.874 1.026
52 H GLY 10 H GLY 10 -11.320 5.517 -2.888
53 1HA GLY 10 1HA GLY 10 -10.888 8.180 -2.276
54 2HA GLY 10 2HA GLY 10 -9.973 7.253 -3.477
55 H GLY 11 H GLY 11 -8.871 5.435 -1.343
56 1HA GLY 11 1HA GLY 11 -7.233 5.384 0.271
57 2HA GLY 11 2HA GLY 11 -7.304 7.148 0.399
58 H ASP 12 H ASP 12 -4.934 7.255 0.369
59 HA ASP 12 HA ASP 12 -3.814 6.916 -2.382
60 1HB ASP 12 1HB ASP 12 -2.430 8.982 -1.681
61 2HB ASP 12 2HB ASP 12 -4.099 9.169 -2.179
62 H CYS 13 H CYS 13 -2.077 8.069 0.432
63 HA CYS 13 HA CYS 13 -0.580 5.526 0.697
64 1HB CYS 13 1HB CYS 13 0.670 8.290 0.413
65 2HB CYS 13 2HB CYS 13 1.506 6.871 1.030
66 H THR 14 H THR 14 -0.827 8.894 2.079
67 HA THR 14 HA THR 14 -0.423 8.100 4.733
68 HB THR 14 HB THR 14 -2.016 10.434 3.595
69 HG1 THR 14 HG1 THR 14 -0.059 11.468 3.682
70 1HG2 THR 14 1HG2 THR 14 -0.737 10.045 6.350
71 2HG2 THR 14 2HG2 THR 14 -1.393 11.578 5.733
72 3HG2 THR 14 3HG2 THR 14 -2.468 10.205 6.003
73 H THR 15 H THR 15 -3.599 8.540 2.959
74 HA THR 15 HA THR 15 -4.922 7.902 5.481
75 HB THR 15 HB THR 15 -5.287 9.731 3.660
76 HG1 THR 15 HG1 THR 15 -6.448 9.520 5.533
77 1HG2 THR 15 1HG2 THR 15 -5.773 8.072 1.813
78 2HG2 THR 15 2HG2 THR 15 -7.371 7.863 2.564
79 3HG2 THR 15 3HG2 THR 15 -6.860 9.453 1.976
80 H CYS 16 H CYS 16 -3.473 5.771 4.385
81 HA CYS 16 HA CYS 16 -5.383 3.594 4.741
82 1HB CYS 16 1HB CYS 16 -3.873 3.939 2.133
83 2HB CYS 16 2HB CYS 16 -4.384 2.356 2.722
84 H PHE 17 H PHE 17 -1.919 4.755 4.222
85 HA PHE 17 HA PHE 17 -0.821 2.448 5.416
86 1HB PHE 17 1HB PHE 17 0.554 4.228 4.336
87 2HB PHE 17 2HB PHE 17 0.189 5.317 5.684
88 HD1 PHE 17 HD1 PHE 17 2.049 5.472 7.253
89 HD2 PHE 17 HD2 PHE 17 1.232 1.750 5.241
90 HE1 PHE 17 HE1 PHE 17 3.921 4.360 8.477
91 HE2 PHE 17 HE2 PHE 17 3.050 0.654 6.571
92 HZ PHE 17 HZ PHE 17 4.425 1.964 8.085
93 H ASN 18 H ASN 18 -2.282 5.355 6.860
94 HA ASN 18 HA ASN 18 -3.053 5.794 8.970
95 1HB ASN 18 1HB ASN 18 -4.277 3.639 8.101
96 2HB ASN 18 2HB ASN 18 -3.279 2.817 9.295
97 1HD2 ASN 18 2HD2 ASN 18 -3.575 3.540 11.558
98 2HD2 ASN 18 1HD2 ASN 18 -5.284 3.266 11.808
99 H ASN 19 H ASN 19 -0.224 5.381 8.695
100 HA ASN 19 HA ASN 19 1.648 4.836 9.554
101 1HB ASN 19 1HB ASN 19 1.000 6.742 10.984
102 2HB ASN 19 2HB ASN 19 0.731 5.589 12.303
103 1HD2 ASN 19 2HD2 ASN 19 2.680 5.462 13.638
104 2HD2 ASN 19 1HD2 ASN 19 4.271 5.524 12.943
105 H GLY 20 H GLY 20 0.993 2.643 8.877
106 1HA GLY 20 1HA GLY 20 2.549 1.092 10.714
107 2HA GLY 20 2HA GLY 20 2.100 0.680 9.074
108 H THR 21 H THR 21 -0.769 1.356 10.687
109 HA THR 21 HA THR 21 -1.256 -1.480 11.353
110 HB THR 21 HB THR 21 -1.557 1.020 12.755
111 HG1 THR 21 HG1 THR 21 -0.553 -0.247 14.027
112 1HG2 THR 21 1HG2 THR 21 -3.938 0.739 12.389
113 2HG2 THR 21 2HG2 THR 21 -3.858 -0.923 13.028
114 3HG2 THR 21 3HG2 THR 21 -3.500 0.459 14.087
115 H GLY 22 H GLY 22 -2.007 0.768 8.926
116 1HA GLY 22 1HA GLY 22 -3.772 0.999 7.496
117 2HA GLY 22 2HA GLY 22 -4.810 0.086 8.583
118 HA PRO 23 HA PRO 23 -4.673 -3.307 5.880
119 1HB PRO 23 1HB PRO 23 -5.700 -2.639 3.391
120 2HB PRO 23 2HB PRO 23 -6.667 -2.785 4.892
121 1HG PRO 23 1HG PRO 23 -5.756 -0.309 3.473
122 2HG PRO 23 2HG PRO 23 -7.218 -0.575 4.475
123 1HD PRO 23 1HD PRO 23 -4.741 0.599 5.164
124 2HD PRO 23 2HD PRO 23 -6.045 0.269 6.308
125 H CYS 24 H CYS 24 -3.578 -0.686 3.624
126 HA CYS 24 HA CYS 24 -1.365 -2.373 2.669
127 1HB CYS 24 1HB CYS 24 -2.862 -0.349 1.458
128 2HB CYS 24 2HB CYS 24 -1.337 0.445 1.790
129 H ALA 25 H ALA 25 -0.686 -2.556 4.972
130 HA ALA 25 HA ALA 25 1.122 -0.272 5.687
131 1HB ALA 25 1HB ALA 25 0.983 -0.983 8.000
132 2HB ALA 25 2HB ALA 25 -0.252 -2.191 7.585
133 3HB ALA 25 3HB ALA 25 -0.591 -0.450 7.367
134 H ASN 26 H ASN 26 0.817 -3.825 6.062
135 HA ASN 26 HA ASN 26 3.625 -4.245 6.477
136 1HB ASN 26 1HB ASN 26 3.083 -6.597 5.845
137 2HB ASN 26 2HB ASN 26 2.056 -5.946 7.113
138 1HD2 ASN 26 2HD2 ASN 26 -0.202 -5.846 6.743
139 2HD2 ASN 26 1HD2 ASN 26 -0.946 -6.271 5.215
140 H CYS 27 H CYS 27 1.751 -3.709 3.513
141 HA CYS 27 HA CYS 27 3.778 -4.437 1.634
142 1HB CYS 27 1HB CYS 27 1.566 -2.416 1.181
143 2HB CYS 27 2HB CYS 27 2.664 -3.130 0.042
144 H LEU 28 H LEU 28 4.104 -1.830 4.023
145 HA LEU 28 HA LEU 28 5.855 -0.364 2.225
146 1HB LEU 28 1HB LEU 28 4.855 -0.027 5.080
147 2HB LEU 28 2HB LEU 28 6.062 1.027 4.362
148 HG LEU 28 HG LEU 28 3.770 1.849 4.318
149 1HD1 LEU 28 1HD1 LEU 28 5.607 2.519 2.637
150 2HD1 LEU 28 2HD1 LEU 28 4.696 1.511 1.483
151 3HD1 LEU 28 3HD1 LEU 28 3.938 2.945 2.212
152 1HD2 LEU 28 1HD2 LEU 28 2.590 -0.266 3.715
153 2HD2 LEU 28 2HD2 LEU 28 2.072 1.173 2.878
154 3HD2 LEU 28 3HD2 LEU 28 3.138 0.015 2.031
155 H ALA 29 H ALA 29 6.225 -1.763 5.516
156 HA ALA 29 HA ALA 29 9.055 -1.335 5.489
157 1HB ALA 29 1HB ALA 29 8.967 -2.752 7.565
158 2HB ALA 29 2HB ALA 29 7.894 -1.354 7.572
159 3HB ALA 29 3HB ALA 29 7.211 -2.968 7.276
160 H GLY 30 H GLY 30 7.274 -4.446 5.666
161 1HA GLY 30 1HA GLY 30 8.033 -6.579 5.114
162 2HA GLY 30 2HA GLY 30 9.508 -5.894 4.464
163 H TYR 31 H TYR 31 9.268 -4.514 2.410
164 HA TYR 31 HA TYR 31 7.056 -5.614 0.718
165 1HB TYR 31 1HB TYR 31 6.475 -3.629 0.094
166 2HB TYR 31 2HB TYR 31 6.978 -3.125 1.685
167 HD1 TYR 31 HD1 TYR 31 10.106 -3.226 0.772
168 HD2 TYR 31 HD2 TYR 31 6.484 -1.569 -0.750
169 HE1 TYR 31 HE1 TYR 31 11.416 -1.546 -0.520
170 HE2 TYR 31 HE2 TYR 31 7.734 0.083 -2.139
171 HH TYR 31 HH TYR 31 11.235 0.443 -2.070
172 HA PRO 32 HA PRO 32 11.190 -5.796 -1.395
173 1HB PRO 32 1HB PRO 32 11.795 -8.524 -1.436
174 2HB PRO 32 2HB PRO 32 12.433 -7.329 -0.271
175 1HG PRO 32 1HG PRO 32 10.245 -9.338 0.140
176 2HG PRO 32 2HG PRO 32 11.399 -8.617 1.318
177 1HD PRO 32 1HD PRO 32 8.738 -7.849 1.076
178 2HD PRO 32 2HD PRO 32 10.064 -6.909 1.815
179 H ALA 33 H ALA 33 8.671 -8.252 -1.324
180 HA ALA 33 HA ALA 33 8.372 -8.467 -4.230
181 1HB ALA 33 1HB ALA 33 6.654 -10.134 -3.600
182 2HB ALA 33 2HB ALA 33 8.179 -10.457 -2.743
183 3HB ALA 33 3HB ALA 33 6.813 -9.661 -1.907
184 H GLY 34 H GLY 34 7.411 -6.003 -2.235
185 1HA GLY 34 1HA GLY 34 5.567 -4.587 -2.117
186 2HA GLY 34 2HA GLY 34 4.573 -6.014 -2.339
187 H CYS 35 H CYS 35 6.926 -4.442 -4.543
188 HA CYS 35 HA CYS 35 5.240 -3.366 -6.456
189 1HB CYS 35 1HB CYS 35 7.853 -4.839 -6.943
190 2HB CYS 35 2HB CYS 35 7.174 -3.597 -7.978
191 H SER 36 H SER 36 5.726 -6.754 -5.845
192 HA SER 36 HA SER 36 4.780 -7.553 -8.512
193 1HB SER 36 1HB SER 36 6.843 -8.530 -7.448
194 2HB SER 36 2HB SER 36 5.806 -9.268 -6.228
195 HG SER 36 HG SER 36 6.378 -10.593 -8.048
196 H ASN 37 H ASN 37 3.819 -7.117 -5.205
197 HA ASN 37 HA ASN 37 1.543 -8.961 -5.216
198 1HB ASN 37 1HB ASN 37 2.967 -7.365 -3.220
199 2HB ASN 37 2HB ASN 37 1.275 -6.916 -3.181
200 1HD2 ASN 37 2HD2 ASN 37 -0.168 -8.249 -2.030
201 2HD2 ASN 37 1HD2 ASN 37 0.213 -9.895 -1.634
202 H SER 38 H SER 38 0.247 -8.358 -6.955
203 HA SER 38 HA SER 38 -0.040 -5.821 -8.097
204 1HB SER 38 1HB SER 38 -0.769 -8.270 -8.811
205 2HB SER 38 2HB SER 38 -2.331 -7.794 -8.126
206 HG SER 38 HG SER 38 -1.080 -7.102 -10.441
207 H ASP 39 H ASP 39 -1.816 -7.221 -5.298
208 HA ASP 39 HA ASP 39 -3.869 -5.217 -5.150
209 1HB ASP 39 1HB ASP 39 -4.029 -7.315 -3.880
210 2HB ASP 39 2HB ASP 39 -2.596 -6.892 -2.946
211 H CYS 40 H CYS 40 -0.495 -5.164 -4.161
212 HA CYS 40 HA CYS 40 -0.864 -2.618 -2.667
213 1HB CYS 40 1HB CYS 40 1.234 -4.802 -2.503
214 2HB CYS 40 2HB CYS 40 1.486 -3.215 -1.804
215 H THR 41 H THR 41 0.179 -3.900 -5.637
216 HA THR 41 HA THR 41 2.544 -2.560 -6.101
217 HB THR 41 HB THR 41 0.286 -3.606 -7.840
218 HG1 THR 41 HG1 THR 41 1.826 -4.904 -6.528
219 1HG2 THR 41 1HG2 THR 41 1.445 -1.921 -9.264
220 2HG2 THR 41 2HG2 THR 41 2.960 -2.795 -8.978
221 3HG2 THR 41 3HG2 THR 41 1.581 -3.630 -9.767
222 H ALA 42 H ALA 42 -0.805 -1.375 -6.995
223 HA ALA 42 HA ALA 42 0.364 1.005 -8.194
224 1HB ALA 42 1HB ALA 42 -1.694 0.161 -9.115
225 2HB ALA 42 2HB ALA 42 -1.956 1.780 -8.430
226 3HB ALA 42 3HB ALA 42 -2.500 0.357 -7.543
227 H PHE 43 H PHE 43 -0.836 0.156 -4.991
228 HA PHE 43 HA PHE 43 -0.822 2.840 -3.940
229 1HB PHE 43 1HB PHE 43 -1.833 1.050 -2.635
230 2HB PHE 43 2HB PHE 43 -0.328 0.138 -2.597
231 HD1 PHE 43 HD1 PHE 43 -2.272 2.534 -0.730
232 HD2 PHE 43 HD2 PHE 43 1.631 0.898 -1.375
233 HE1 PHE 43 HE1 PHE 43 -1.545 3.422 1.455
234 HE2 PHE 43 HE2 PHE 43 2.399 1.850 0.747
235 HZ PHE 43 HZ PHE 43 0.835 3.082 2.200
236 H LEU 44 H LEU 44 1.713 0.257 -3.726
237 HA LEU 44 HA LEU 44 3.666 2.013 -2.873
238 1HB LEU 44 1HB LEU 44 3.937 -0.561 -4.458
239 2HB LEU 44 2HB LEU 44 5.274 0.210 -3.615
240 HG LEU 44 HG LEU 44 2.720 -0.785 -2.252
241 1HD1 LEU 44 1HD1 LEU 44 5.424 -2.055 -2.637
242 2HD1 LEU 44 2HD1 LEU 44 4.232 -2.601 -1.433
243 3HD1 LEU 44 3HD1 LEU 44 3.847 -2.625 -3.164
244 1HD2 LEU 44 1HD2 LEU 44 3.826 1.137 -1.048
245 2HD2 LEU 44 2HD2 LEU 44 3.709 -0.346 -0.180
246 3HD2 LEU 44 3HD2 LEU 44 5.269 0.130 -0.904
247 H SER 45 H SER 45 2.794 1.382 -6.245
248 HA SER 45 HA SER 45 4.899 2.573 -7.629
249 1HB SER 45 1HB SER 45 1.899 2.314 -7.985
250 2HB SER 45 2HB SER 45 2.934 2.942 -9.226
251 HG SER 45 HG SER 45 3.204 0.379 -8.099
252 H GLN 46 H GLN 46 2.290 3.995 -5.685
253 HA GLN 46 HA GLN 46 3.145 6.756 -6.327
254 1HB GLN 46 1HB GLN 46 0.827 5.628 -4.684
255 2HB GLN 46 2HB GLN 46 1.188 7.336 -4.804
256 1HG GLN 46 1HG GLN 46 1.164 6.966 -7.395
257 2HG GLN 46 2HG GLN 46 0.372 5.437 -7.031
258 1HE2 GLN 46 2HE2 GLN 46 -1.882 5.497 -6.557
259 2HE2 GLN 46 1HE2 GLN 46 -2.791 7.011 -6.482
260 H CYS 47 H CYS 47 2.855 4.695 -3.348
261 HA CYS 47 HA CYS 47 4.179 6.684 -1.811
262 1HB CYS 47 1HB CYS 47 3.974 3.879 -0.733
263 2HB CYS 47 2HB CYS 47 3.723 5.455 0.038
264 H TYR 48 H TYR 48 5.686 4.460 -3.811
265 HA TYR 48 HA TYR 48 8.336 4.999 -2.553
266 1HB TYR 48 1HB TYR 48 7.277 2.368 -3.487
267 2HB TYR 48 2HB TYR 48 8.975 2.746 -3.621
268 HD1 TYR 48 HD1 TYR 48 6.212 2.195 -1.279
269 HD2 TYR 48 HD2 TYR 48 10.418 3.029 -1.640
270 HE1 TYR 48 HE1 TYR 48 6.597 1.227 0.910
271 HE2 TYR 48 HE2 TYR 48 10.796 2.228 0.663
272 HH TYR 48 HH TYR 48 8.609 0.239 2.283
273 H GLY 49 H GLY 49 6.294 4.855 -5.415
274 1HA GLY 49 1HA GLY 49 8.572 5.552 -7.182
275 2HA GLY 49 2HA GLY 49 6.870 5.822 -7.535
276 H GLY 50 H GLY 50 7.372 2.828 -6.008
277 1HA GLY 50 1HA GLY 50 7.156 1.237 -8.474
278 2HA GLY 50 2HA GLY 50 7.103 0.638 -6.810
279 H CYS 51 H CYS 51 8.897 -0.248 -6.026
280 HA CYS 51 HA CYS 51 11.333 0.586 -5.656
281 1HB CYS 51 1HB CYS 51 12.080 -1.784 -5.615
282 2HB CYS 51 2HB CYS 51 10.665 -1.407 -4.644
No H/Q in entry = 282
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 -9.385 -5.809 -2.978
2 H2 GLY 1 H2 GLY 1 -9.293 -7.387 -3.455
3 H3 GLY 1 H3 GLY 1 -10.009 -6.968 -2.007
4 1HA GLY 1 1HA GLY 1 -7.161 -6.769 -2.701
5 2HA GLY 1 2HA GLY 1 -7.906 -7.852 -1.508
6 H GLU 2 H GLU 2 -6.601 -6.874 0.198
7 HA GLU 2 HA GLU 2 -8.187 -5.014 1.593
8 1HB GLU 2 1HB GLU 2 -6.403 -4.988 3.287
9 2HB GLU 2 2HB GLU 2 -6.860 -6.632 2.789
10 1HG GLU 2 1HG GLU 2 -4.831 -6.134 1.072
11 2HG GLU 2 2HG GLU 2 -4.286 -5.128 2.400
12 H CYS 3 H CYS 3 -5.248 -4.462 -0.343
13 HA CYS 3 HA CYS 3 -5.106 -1.713 0.610
14 1HB CYS 3 1HB CYS 3 -3.110 -3.069 0.202
15 2HB CYS 3 2HB CYS 3 -3.572 -3.267 -1.477
16 H GLU 4 H GLU 4 -6.056 -3.468 -2.397
17 HA GLU 4 HA GLU 4 -6.687 -1.211 -4.003
18 1HB GLU 4 1HB GLU 4 -7.767 -4.074 -3.894
19 2HB GLU 4 2HB GLU 4 -8.360 -2.907 -5.072
20 1HG GLU 4 1HG GLU 4 -6.178 -2.606 -6.027
21 2HG GLU 4 2HG GLU 4 -5.425 -3.619 -4.804
22 H GLN 5 H GLN 5 -8.612 -2.954 -1.585
23 HA GLN 5 HA GLN 5 -11.124 -1.714 -1.913
24 1HB GLN 5 1HB GLN 5 -10.531 -3.741 -0.558
25 2HB GLN 5 2HB GLN 5 -9.750 -2.703 0.631
26 1HG GLN 5 1HG GLN 5 -11.857 -3.323 1.497
27 2HG GLN 5 2HG GLN 5 -11.992 -1.631 1.016
28 1HE2 GLN 5 2HE2 GLN 5 -13.663 -1.120 -0.457
29 2HE2 GLN 5 1HE2 GLN 5 -14.615 -2.298 -1.311
30 H CYS 6 H CYS 6 -8.275 -0.761 -0.026
31 HA CYS 6 HA CYS 6 -9.535 1.490 1.253
32 1HB CYS 6 1HB CYS 6 -7.417 0.055 1.903
33 2HB CYS 6 2HB CYS 6 -6.579 1.151 0.832
34 H PHE 7 H PHE 7 -7.451 1.076 -1.639
35 HA PHE 7 HA PHE 7 -7.247 3.843 -2.346
36 1HB PHE 7 1HB PHE 7 -6.460 1.279 -3.458
37 2HB PHE 7 2HB PHE 7 -7.269 2.199 -4.710
38 HD1 PHE 7 HD1 PHE 7 -6.248 4.207 -5.677
39 HD2 PHE 7 HD2 PHE 7 -4.523 2.241 -2.270
40 HE1 PHE 7 HE1 PHE 7 -4.173 5.507 -6.009
41 HE2 PHE 7 HE2 PHE 7 -2.415 3.623 -2.593
42 HZ PHE 7 HZ PHE 7 -2.260 5.211 -4.432
43 H SER 8 H SER 8 -9.628 1.347 -3.086
44 HA SER 8 HA SER 8 -11.092 2.717 -5.080
45 1HB SER 8 1HB SER 8 -12.037 0.672 -3.003
46 2HB SER 8 2HB SER 8 -12.920 1.139 -4.475
47 HG SER 8 HG SER 8 -10.321 -0.031 -4.280
48 H ASP 9 H ASP 9 -11.196 2.976 -1.548
49 HA ASP 9 HA ASP 9 -13.309 5.007 -1.511
50 1HB ASP 9 1HB ASP 9 -12.770 3.104 0.169
51 2HB ASP 9 2HB ASP 9 -11.485 4.138 0.758
52 H GLY 10 H GLY 10 -10.984 5.673 -3.153
53 1HA GLY 10 1HA GLY 10 -10.582 8.352 -2.323
54 2HA GLY 10 2HA GLY 10 -9.741 7.521 -3.627
55 H GLY 11 H GLY 11 -8.762 5.481 -1.454
56 1HA GLY 11 1HA GLY 11 -7.018 5.242 0.022
57 2HA GLY 11 2HA GLY 11 -7.104 6.978 0.359
58 H ASP 12 H ASP 12 -4.788 7.352 0.233
59 HA ASP 12 HA ASP 12 -3.793 7.296 -2.577
60 1HB ASP 12 1HB ASP 12 -2.403 9.286 -1.687
61 2HB ASP 12 2HB ASP 12 -4.095 9.532 -2.075
62 H CYS 13 H CYS 13 -2.367 7.783 0.646
63 HA CYS 13 HA CYS 13 -1.022 5.276 0.563
64 1HB CYS 13 1HB CYS 13 0.651 6.541 -0.716
65 2HB CYS 13 2HB CYS 13 0.771 7.730 0.579
66 H THR 14 H THR 14 -0.928 8.559 2.097
67 HA THR 14 HA THR 14 -0.538 7.680 4.739
68 HB THR 14 HB THR 14 -1.933 10.143 3.592
69 HG1 THR 14 HG1 THR 14 0.037 11.043 3.841
70 1HG2 THR 14 1HG2 THR 14 -0.989 9.623 6.460
71 2HG2 THR 14 2HG2 THR 14 -1.439 11.216 5.810
72 3HG2 THR 14 3HG2 THR 14 -2.649 9.946 5.926
73 H THR 15 H THR 15 -3.744 8.332 3.050
74 HA THR 15 HA THR 15 -5.003 7.658 5.603
75 HB THR 15 HB THR 15 -5.517 9.519 3.914
76 HG1 THR 15 HG1 THR 15 -6.771 8.754 5.794
77 1HG2 THR 15 1HG2 THR 15 -5.827 8.017 1.917
78 2HG2 THR 15 2HG2 THR 15 -7.389 7.539 2.610
79 3HG2 THR 15 3HG2 THR 15 -7.097 9.221 2.199
80 H CYS 16 H CYS 16 -3.563 5.573 4.489
81 HA CYS 16 HA CYS 16 -5.502 3.402 4.704
82 1HB CYS 16 1HB CYS 16 -3.678 3.772 2.310
83 2HB CYS 16 2HB CYS 16 -4.320 2.193 2.794
84 H PHE 17 H PHE 17 -1.956 4.305 4.225
85 HA PHE 17 HA PHE 17 -0.939 2.101 5.558
86 1HB PHE 17 1HB PHE 17 0.445 3.803 4.392
87 2HB PHE 17 2HB PHE 17 0.121 4.961 5.676
88 HD1 PHE 17 HD1 PHE 17 2.001 5.216 7.191
89 HD2 PHE 17 HD2 PHE 17 1.157 1.391 5.444
90 HE1 PHE 17 HE1 PHE 17 3.935 4.203 8.396
91 HE2 PHE 17 HE2 PHE 17 3.034 0.357 6.747
92 HZ PHE 17 HZ PHE 17 4.446 1.802 8.150
93 H ASN 18 H ASN 18 -2.188 5.114 6.999
94 HA ASN 18 HA ASN 18 -2.947 5.599 9.085
95 1HB ASN 18 1HB ASN 18 -4.075 3.215 8.495
96 2HB ASN 18 2HB ASN 18 -3.105 2.736 9.883
97 1HD2 ASN 18 2HD2 ASN 18 -6.115 3.626 9.036
98 2HD2 ASN 18 1HD2 ASN 18 -6.664 4.555 10.415
99 H ASN 19 H ASN 19 -0.085 5.257 8.665
100 HA ASN 19 HA ASN 19 1.834 4.741 9.574
101 1HB ASN 19 1HB ASN 19 1.152 6.670 10.915
102 2HB ASN 19 2HB ASN 19 0.654 5.547 12.214
103 1HD2 ASN 19 2HD2 ASN 19 2.338 4.709 13.570
104 2HD2 ASN 19 1HD2 ASN 19 4.038 5.035 13.251
105 H GLY 20 H GLY 20 1.195 2.544 8.895
106 1HA GLY 20 1HA GLY 20 2.574 0.934 10.795
107 2HA GLY 20 2HA GLY 20 2.156 0.512 9.151
108 H THR 21 H THR 21 -0.800 1.258 10.405
109 HA THR 21 HA THR 21 -1.253 -1.545 11.303
110 HB THR 21 HB THR 21 -1.095 0.093 13.131
111 HG1 THR 21 HG1 THR 21 -3.417 -1.481 12.776
112 1HG2 THR 21 1HG2 THR 21 -2.456 1.840 12.088
113 2HG2 THR 21 2HG2 THR 21 -3.855 0.744 12.089
114 3HG2 THR 21 3HG2 THR 21 -3.173 1.306 13.628
115 H GLY 22 H GLY 22 -2.103 0.609 8.822
116 1HA GLY 22 1HA GLY 22 -3.959 0.733 7.503
117 2HA GLY 22 2HA GLY 22 -4.847 -0.341 8.561
118 HA PRO 23 HA PRO 23 -4.572 -3.460 5.590
119 1HB PRO 23 1HB PRO 23 -5.495 -2.685 3.126
120 2HB PRO 23 2HB PRO 23 -6.515 -2.800 4.593
121 1HG PRO 23 1HG PRO 23 -5.345 -0.372 3.269
122 2HG PRO 23 2HG PRO 23 -6.926 -0.555 4.067
123 1HD PRO 23 1HD PRO 23 -4.609 0.520 5.161
124 2HD PRO 23 2HD PRO 23 -6.011 -0.012 6.123
125 H CYS 24 H CYS 24 -3.410 -0.824 3.400
126 HA CYS 24 HA CYS 24 -1.118 -2.442 2.486
127 1HB CYS 24 1HB CYS 24 -2.461 -0.023 1.527
128 2HB CYS 24 2HB CYS 24 -0.766 0.305 1.796
129 H ALA 25 H ALA 25 -0.470 -2.843 4.739
130 HA ALA 25 HA ALA 25 1.186 -0.588 5.774
131 1HB ALA 25 1HB ALA 25 0.984 -1.507 8.017
132 2HB ALA 25 2HB ALA 25 -0.217 -2.680 7.410
133 3HB ALA 25 3HB ALA 25 -0.554 -0.920 7.366
134 H ASN 26 H ASN 26 1.045 -4.206 5.915
135 HA ASN 26 HA ASN 26 3.802 -4.538 6.320
136 1HB ASN 26 1HB ASN 26 1.861 -6.261 4.673
137 2HB ASN 26 2HB ASN 26 3.532 -6.702 4.977
138 1HD2 ASN 26 2HD2 ASN 26 0.311 -6.547 6.476
139 2HD2 ASN 26 1HD2 ASN 26 0.861 -7.162 8.013
140 H CYS 27 H CYS 27 2.038 -3.878 3.348
141 HA CYS 27 HA CYS 27 4.096 -4.192 1.467
142 1HB CYS 27 1HB CYS 27 1.803 -2.246 1.084
143 2HB CYS 27 2HB CYS 27 2.813 -3.058 -0.061
144 H LEU 28 H LEU 28 4.137 -1.688 4.005
145 HA LEU 28 HA LEU 28 5.999 -0.122 2.394
146 1HB LEU 28 1HB LEU 28 4.723 0.088 5.148
147 2HB LEU 28 2HB LEU 28 5.931 1.216 4.561
148 HG LEU 28 HG LEU 28 3.659 1.972 4.360
149 1HD1 LEU 28 1HD1 LEU 28 5.589 2.618 2.728
150 2HD1 LEU 28 2HD1 LEU 28 4.687 1.626 1.556
151 3HD1 LEU 28 3HD1 LEU 28 3.938 3.076 2.260
152 1HD2 LEU 28 1HD2 LEU 28 2.553 -0.174 3.715
153 2HD2 LEU 28 2HD2 LEU 28 2.026 1.266 2.856
154 3HD2 LEU 28 3HD2 LEU 28 3.138 0.141 2.043
155 H ALA 29 H ALA 29 5.941 -1.992 5.476
156 HA ALA 29 HA ALA 29 8.727 -1.329 6.003
157 1HB ALA 29 1HB ALA 29 8.411 -2.817 7.977
158 2HB ALA 29 2HB ALA 29 6.757 -3.166 7.419
159 3HB ALA 29 3HB ALA 29 7.217 -1.513 7.872
160 H GLY 30 H GLY 30 7.237 -4.626 5.927
161 1HA GLY 30 1HA GLY 30 8.338 -6.595 5.394
162 2HA GLY 30 2HA GLY 30 9.741 -5.666 4.834
163 H TYR 31 H TYR 31 9.131 -4.145 2.818
164 HA TYR 31 HA TYR 31 7.119 -5.510 1.109
165 1HB TYR 31 1HB TYR 31 6.544 -3.555 0.347
166 2HB TYR 31 2HB TYR 31 7.009 -2.996 1.938
167 HD1 TYR 31 HD1 TYR 31 6.584 -1.505 -0.641
168 HD2 TYR 31 HD2 TYR 31 10.158 -3.151 1.018
169 HE1 TYR 31 HE1 TYR 31 7.860 0.120 -1.981
170 HE2 TYR 31 HE2 TYR 31 11.496 -1.470 -0.257
171 HH TYR 31 HH TYR 31 11.324 0.550 -1.768
172 HA PRO 32 HA PRO 32 11.111 -5.667 -1.282
173 1HB PRO 32 1HB PRO 32 11.791 -8.376 -1.350
174 2HB PRO 32 2HB PRO 32 12.468 -7.153 -0.236
175 1HG PRO 32 1HG PRO 32 10.321 -9.196 0.303
176 2HG PRO 32 2HG PRO 32 11.578 -8.518 1.401
177 1HD PRO 32 1HD PRO 32 8.923 -7.709 1.373
178 2HD PRO 32 2HD PRO 32 10.300 -6.734 1.990
179 H ALA 33 H ALA 33 8.333 -7.742 -1.032
180 HA ALA 33 HA ALA 33 8.246 -8.381 -3.936
181 1HB ALA 33 1HB ALA 33 6.488 -10.013 -3.163
182 2HB ALA 33 2HB ALA 33 8.084 -10.282 -2.435
183 3HB ALA 33 3HB ALA 33 6.794 -9.498 -1.498
184 H GLY 34 H GLY 34 7.079 -5.881 -2.031
185 1HA GLY 34 1HA GLY 34 5.223 -4.532 -2.056
186 2HA GLY 34 2HA GLY 34 4.304 -5.988 -2.404
187 H CYS 35 H CYS 35 6.754 -4.378 -4.436
188 HA CYS 35 HA CYS 35 5.095 -3.229 -6.400
189 1HB CYS 35 1HB CYS 35 7.734 -4.649 -6.819
190 2HB CYS 35 2HB CYS 35 7.080 -3.405 -7.847
191 H SER 36 H SER 36 5.524 -6.607 -5.758
192 HA SER 36 HA SER 36 4.656 -7.315 -8.472
193 1HB SER 36 1HB SER 36 6.848 -8.161 -7.370
194 2HB SER 36 2HB SER 36 5.792 -9.218 -6.423
195 HG SER 36 HG SER 36 5.784 -9.035 -9.271
196 H ASN 37 H ASN 37 3.657 -6.965 -5.235
197 HA ASN 37 HA ASN 37 1.481 -8.944 -5.249
198 1HB ASN 37 1HB ASN 37 2.854 -7.489 -3.202
199 2HB ASN 37 2HB ASN 37 1.310 -6.734 -3.268
200 1HD2 ASN 37 2HD2 ASN 37 -0.594 -7.825 -2.602
201 2HD2 ASN 37 1HD2 ASN 37 -0.576 -9.489 -2.091
202 H SER 38 H SER 38 0.044 -8.378 -6.981
203 HA SER 38 HA SER 38 -0.143 -5.827 -8.133
204 1HB SER 38 1HB SER 38 -0.957 -8.087 -9.014
205 2HB SER 38 2HB SER 38 -2.409 -7.874 -8.024
206 HG SER 38 HG SER 38 -1.380 -6.165 -10.057
207 H ASP 39 H ASP 39 -2.067 -7.174 -5.404
208 HA ASP 39 HA ASP 39 -3.908 -5.050 -5.139
209 1HB ASP 39 1HB ASP 39 -4.258 -7.124 -3.999
210 2HB ASP 39 2HB ASP 39 -2.757 -6.960 -3.093
211 H CYS 40 H CYS 40 -0.524 -5.160 -4.146
212 HA CYS 40 HA CYS 40 -0.804 -2.590 -2.651
213 1HB CYS 40 1HB CYS 40 1.330 -4.765 -2.492
214 2HB CYS 40 2HB CYS 40 1.556 -3.147 -1.845
215 H THR 41 H THR 41 0.168 -3.898 -5.641
216 HA THR 41 HA THR 41 2.542 -2.538 -6.151
217 HB THR 41 HB THR 41 0.309 -3.648 -7.866
218 HG1 THR 41 HG1 THR 41 1.783 -4.928 -6.469
219 1HG2 THR 41 1HG2 THR 41 1.535 -2.045 -9.298
220 2HG2 THR 41 2HG2 THR 41 3.041 -2.919 -8.929
221 3HG2 THR 41 3HG2 THR 41 1.694 -3.753 -9.742
222 H ALA 42 H ALA 42 -0.839 -1.445 -7.108
223 HA ALA 42 HA ALA 42 0.290 0.928 -8.327
224 1HB ALA 42 1HB ALA 42 -1.822 0.193 -9.151
225 2HB ALA 42 2HB ALA 42 -2.075 1.761 -8.350
226 3HB ALA 42 3HB ALA 42 -2.543 0.256 -7.537
227 H PHE 43 H PHE 43 -0.960 0.216 -5.058
228 HA PHE 43 HA PHE 43 -0.815 2.862 -4.008
229 1HB PHE 43 1HB PHE 43 -1.796 1.044 -2.731
230 2HB PHE 43 2HB PHE 43 -0.274 0.161 -2.703
231 HD1 PHE 43 HD1 PHE 43 -2.295 2.386 -0.804
232 HD2 PHE 43 HD2 PHE 43 1.735 1.138 -1.505
233 HE1 PHE 43 HE1 PHE 43 -1.643 3.223 1.429
234 HE2 PHE 43 HE2 PHE 43 2.427 2.079 0.653
235 HZ PHE 43 HZ PHE 43 0.755 3.074 2.153
236 H LEU 44 H LEU 44 1.737 0.287 -3.898
237 HA LEU 44 HA LEU 44 3.678 2.105 -3.034
238 1HB LEU 44 1HB LEU 44 3.945 -0.542 -4.503
239 2HB LEU 44 2HB LEU 44 5.284 0.283 -3.719
240 HG LEU 44 HG LEU 44 2.749 -0.704 -2.296
241 1HD1 LEU 44 1HD1 LEU 44 5.496 -1.894 -2.619
242 2HD1 LEU 44 2HD1 LEU 44 4.337 -2.428 -1.386
243 3HD1 LEU 44 3HD1 LEU 44 3.924 -2.548 -3.102
244 1HD2 LEU 44 1HD2 LEU 44 3.929 1.301 -1.176
245 2HD2 LEU 44 2HD2 LEU 44 3.649 -0.135 -0.251
246 3HD2 LEU 44 3HD2 LEU 44 5.270 0.181 -0.914
247 H SER 45 H SER 45 2.777 1.350 -6.375
248 HA SER 45 HA SER 45 4.897 2.583 -7.737
249 1HB SER 45 1HB SER 45 1.924 2.120 -8.173
250 2HB SER 45 2HB SER 45 2.914 2.805 -9.410
251 HG SER 45 HG SER 45 3.529 0.356 -8.146
252 H GLN 46 H GLN 46 1.884 3.963 -6.202
253 HA GLN 46 HA GLN 46 2.688 6.702 -6.800
254 1HB GLN 46 1HB GLN 46 0.842 5.736 -4.587
255 2HB GLN 46 2HB GLN 46 1.034 7.377 -5.163
256 1HG GLN 46 1HG GLN 46 -0.161 5.066 -6.740
257 2HG GLN 46 2HG GLN 46 -1.039 6.352 -5.937
258 1HE2 GLN 46 2HE2 GLN 46 -1.342 5.673 -8.745
259 2HE2 GLN 46 1HE2 GLN 46 -1.104 7.209 -9.479
260 H CYS 47 H CYS 47 2.630 4.915 -3.667
261 HA CYS 47 HA CYS 47 3.899 6.953 -2.346
262 1HB CYS 47 1HB CYS 47 2.613 4.771 -1.498
263 2HB CYS 47 2HB CYS 47 4.267 4.214 -1.122
264 H TYR 48 H TYR 48 5.580 4.059 -3.654
265 HA TYR 48 HA TYR 48 8.197 5.032 -2.632
266 1HB TYR 48 1HB TYR 48 7.217 2.425 -3.669
267 2HB TYR 48 2HB TYR 48 8.909 2.857 -3.784
268 HD1 TYR 48 HD1 TYR 48 10.309 3.203 -1.776
269 HD2 TYR 48 HD2 TYR 48 6.121 2.267 -1.467
270 HE1 TYR 48 HE1 TYR 48 10.674 2.449 0.540
271 HE2 TYR 48 HE2 TYR 48 6.489 1.354 0.761
272 HH TYR 48 HH TYR 48 8.538 0.436 2.202
273 H GLY 49 H GLY 49 6.252 5.063 -5.513
274 1HA GLY 49 1HA GLY 49 8.518 5.838 -7.258
275 2HA GLY 49 2HA GLY 49 6.815 5.902 -7.673
276 H GLY 50 H GLY 50 7.459 3.001 -6.054
277 1HA GLY 50 1HA GLY 50 7.409 1.375 -8.504
278 2HA GLY 50 2HA GLY 50 7.228 0.821 -6.836
279 H CYS 51 H CYS 51 8.894 -0.090 -5.896
280 HA CYS 51 HA CYS 51 11.333 0.598 -5.373
281 1HB CYS 51 1HB CYS 51 11.900 -1.806 -5.105
282 2HB CYS 51 2HB CYS 51 10.426 -1.275 -4.314
No H/Q in entry = 282
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 -8.659 -8.421 -2.270
2 H2 GLY 1 H2 GLY 1 -7.370 -8.830 -3.224
3 H3 GLY 1 H3 GLY 1 -7.349 -9.174 -1.613
4 1HA GLY 1 1HA GLY 1 -7.251 -6.523 -2.863
5 2HA GLY 1 2HA GLY 1 -5.965 -7.335 -1.962
6 H GLU 2 H GLU 2 -5.779 -5.840 -0.387
7 HA GLU 2 HA GLU 2 -8.097 -5.024 1.250
8 1HB GLU 2 1HB GLU 2 -6.607 -4.846 3.157
9 2HB GLU 2 2HB GLU 2 -6.833 -6.520 2.537
10 1HG GLU 2 1HG GLU 2 -4.612 -5.850 1.237
11 2HG GLU 2 2HG GLU 2 -4.379 -4.817 2.637
12 H CYS 3 H CYS 3 -4.934 -4.277 -0.225
13 HA CYS 3 HA CYS 3 -4.933 -1.555 0.700
14 1HB CYS 3 1HB CYS 3 -2.926 -2.865 0.153
15 2HB CYS 3 2HB CYS 3 -3.390 -2.831 -1.550
16 H GLU 4 H GLU 4 -5.863 -3.374 -2.251
17 HA GLU 4 HA GLU 4 -6.816 -1.281 -3.917
18 1HB GLU 4 1HB GLU 4 -7.732 -4.165 -3.535
19 2HB GLU 4 2HB GLU 4 -8.408 -3.078 -4.772
20 1HG GLU 4 1HG GLU 4 -6.166 -2.740 -5.741
21 2HG GLU 4 2HG GLU 4 -5.462 -3.779 -4.509
22 H GLN 5 H GLN 5 -8.605 -3.045 -1.308
23 HA GLN 5 HA GLN 5 -11.011 -1.665 -1.756
24 1HB GLN 5 1HB GLN 5 -10.766 -3.769 -0.420
25 2HB GLN 5 2HB GLN 5 -9.999 -2.851 0.870
26 1HG GLN 5 1HG GLN 5 -12.346 -3.316 1.376
27 2HG GLN 5 2HG GLN 5 -12.085 -1.585 1.240
28 1HE2 GLN 5 2HE2 GLN 5 -12.909 -0.480 -0.764
29 2HE2 GLN 5 1HE2 GLN 5 -14.052 -1.330 -1.805
30 H CYS 6 H CYS 6 -8.158 -0.715 0.098
31 HA CYS 6 HA CYS 6 -9.372 1.567 1.390
32 1HB CYS 6 1HB CYS 6 -7.251 0.452 2.096
33 2HB CYS 6 2HB CYS 6 -6.438 1.168 0.696
34 H PHE 7 H PHE 7 -7.358 1.193 -1.549
35 HA PHE 7 HA PHE 7 -7.367 3.888 -2.387
36 1HB PHE 7 1HB PHE 7 -6.766 1.261 -3.575
37 2HB PHE 7 2HB PHE 7 -7.540 2.320 -4.729
38 HD1 PHE 7 HD1 PHE 7 -4.599 1.997 -2.473
39 HD2 PHE 7 HD2 PHE 7 -6.499 4.342 -5.561
40 HE1 PHE 7 HE1 PHE 7 -2.519 3.305 -2.807
41 HE2 PHE 7 HE2 PHE 7 -4.393 5.641 -5.852
42 HZ PHE 7 HZ PHE 7 -2.381 5.064 -4.521
43 H SER 8 H SER 8 -9.696 1.272 -3.036
44 HA SER 8 HA SER 8 -11.318 2.676 -4.784
45 1HB SER 8 1HB SER 8 -11.179 0.187 -4.182
46 2HB SER 8 2HB SER 8 -12.316 0.537 -2.868
47 HG SER 8 HG SER 8 -12.724 1.222 -5.604
48 H ASP 9 H ASP 9 -11.256 2.985 -1.242
49 HA ASP 9 HA ASP 9 -13.775 4.574 -1.325
50 1HB ASP 9 1HB ASP 9 -13.193 2.917 0.534
51 2HB ASP 9 2HB ASP 9 -12.000 4.092 1.085
52 H GLY 10 H GLY 10 -11.452 5.357 -2.883
53 1HA GLY 10 1HA GLY 10 -11.460 8.149 -2.501
54 2HA GLY 10 2HA GLY 10 -10.386 7.217 -3.550
55 H GLY 11 H GLY 11 -8.845 5.735 -1.937
56 1HA GLY 11 1HA GLY 11 -7.429 5.963 0.108
57 2HA GLY 11 2HA GLY 11 -7.480 7.711 -0.149
58 H ASP 12 H ASP 12 -5.038 7.519 -0.216
59 HA ASP 12 HA ASP 12 -4.056 6.261 -2.728
60 1HB ASP 12 1HB ASP 12 -3.051 8.915 -1.735
61 2HB ASP 12 2HB ASP 12 -2.347 7.942 -3.014
62 H CYS 13 H CYS 13 -1.945 7.938 -0.496
63 HA CYS 13 HA CYS 13 -0.890 5.296 0.416
64 1HB CYS 13 1HB CYS 13 0.492 7.979 0.057
65 2HB CYS 13 2HB CYS 13 1.235 6.557 0.784
66 H THR 14 H THR 14 -0.999 8.683 1.488
67 HA THR 14 HA THR 14 -0.443 8.094 4.198
68 HB THR 14 HB THR 14 -1.419 10.548 2.714
69 HG1 THR 14 HG1 THR 14 0.754 10.852 2.368
70 1HG2 THR 14 1HG2 THR 14 -0.039 10.363 5.436
71 2HG2 THR 14 2HG2 THR 14 -0.260 11.854 4.508
72 3HG2 THR 14 3HG2 THR 14 -1.670 10.989 5.124
73 H THR 15 H THR 15 -3.471 8.182 2.497
74 HA THR 15 HA THR 15 -4.830 7.809 5.154
75 HB THR 15 HB THR 15 -5.467 9.667 3.538
76 HG1 THR 15 HG1 THR 15 -7.732 9.216 3.927
77 1HG2 THR 15 1HG2 THR 15 -5.488 8.183 1.468
78 2HG2 THR 15 2HG2 THR 15 -7.035 7.566 2.070
79 3HG2 THR 15 3HG2 THR 15 -6.867 9.274 1.698
80 H CYS 16 H CYS 16 -3.157 5.702 3.887
81 HA CYS 16 HA CYS 16 -5.126 3.520 4.026
82 1HB CYS 16 1HB CYS 16 -3.407 4.200 1.605
83 2HB CYS 16 2HB CYS 16 -3.957 2.557 1.913
84 H PHE 17 H PHE 17 -2.815 4.608 5.647
85 HA PHE 17 HA PHE 17 -1.304 2.028 5.794
86 1HB PHE 17 1HB PHE 17 0.068 3.672 4.543
87 2HB PHE 17 2HB PHE 17 -0.076 4.820 5.871
88 HD1 PHE 17 HD1 PHE 17 0.650 1.165 5.736
89 HD2 PHE 17 HD2 PHE 17 2.066 5.034 6.900
90 HE1 PHE 17 HE1 PHE 17 2.636 0.092 6.878
91 HE2 PHE 17 HE2 PHE 17 4.076 3.977 7.939
92 HZ PHE 17 HZ PHE 17 4.328 1.512 7.950
93 H ASN 18 H ASN 18 -2.622 4.803 7.436
94 HA ASN 18 HA ASN 18 -2.855 5.511 9.518
95 1HB ASN 18 1HB ASN 18 -4.248 3.430 9.465
96 2HB ASN 18 2HB ASN 18 -2.879 2.603 10.194
97 1HD2 ASN 18 2HD2 ASN 18 -4.375 2.026 11.927
98 2HD2 ASN 18 1HD2 ASN 18 -4.513 3.153 13.271
99 H ASN 19 H ASN 19 -0.048 4.047 8.766
100 HA ASN 19 HA ASN 19 2.053 4.392 9.379
101 1HB ASN 19 1HB ASN 19 1.527 6.412 10.711
102 2HB ASN 19 2HB ASN 19 1.362 5.361 12.132
103 1HD2 ASN 19 2HD2 ASN 19 3.712 6.081 9.420
104 2HD2 ASN 19 1HD2 ASN 19 5.114 5.755 10.407
105 H GLY 20 H GLY 20 1.351 2.145 8.945
106 1HA GLY 20 1HA GLY 20 2.823 0.515 10.783
107 2HA GLY 20 2HA GLY 20 2.113 0.019 9.256
108 H THR 21 H THR 21 -0.561 1.011 10.005
109 HA THR 21 HA THR 21 -1.565 -1.039 11.885
110 HB THR 21 HB THR 21 -2.552 0.990 13.142
111 HG1 THR 21 HG1 THR 21 -1.120 2.854 12.912
112 1HG2 THR 21 1HG2 THR 21 -0.431 -0.349 13.826
113 2HG2 THR 21 2HG2 THR 21 0.462 1.076 13.335
114 3HG2 THR 21 3HG2 THR 21 -0.762 1.209 14.607
115 H GLY 22 H GLY 22 -1.950 -0.310 8.921
116 1HA GLY 22 1HA GLY 22 -3.785 1.243 7.953
117 2HA GLY 22 2HA GLY 22 -4.852 0.118 8.807
118 HA PRO 23 HA PRO 23 -5.321 -2.648 5.894
119 1HB PRO 23 1HB PRO 23 -5.927 -1.751 3.355
120 2HB PRO 23 2HB PRO 23 -7.005 -1.582 4.759
121 1HG PRO 23 1HG PRO 23 -5.199 0.515 3.586
122 2HG PRO 23 2HG PRO 23 -6.851 0.682 4.277
123 1HD PRO 23 1HD PRO 23 -4.563 1.319 5.651
124 2HD PRO 23 2HD PRO 23 -6.061 0.805 6.421
125 H CYS 24 H CYS 24 -3.309 -0.418 3.885
126 HA CYS 24 HA CYS 24 -2.093 -2.663 2.507
127 1HB CYS 24 1HB CYS 24 -1.065 0.178 2.472
128 2HB CYS 24 2HB CYS 24 -0.974 -1.075 1.226
129 H ALA 25 H ALA 25 -1.504 -1.999 5.650
130 HA ALA 25 HA ALA 25 0.907 -0.784 5.791
131 1HB ALA 25 1HB ALA 25 -0.332 -2.720 7.739
132 2HB ALA 25 2HB ALA 25 -0.435 -0.933 7.733
133 3HB ALA 25 3HB ALA 25 1.101 -1.754 8.115
134 H ASN 26 H ASN 26 0.667 -4.344 5.754
135 HA ASN 26 HA ASN 26 3.405 -4.768 6.221
136 1HB ASN 26 1HB ASN 26 3.157 -6.964 5.380
137 2HB ASN 26 2HB ASN 26 1.606 -6.582 6.116
138 1HD2 ASN 26 2HD2 ASN 26 -0.312 -6.205 4.560
139 2HD2 ASN 26 1HD2 ASN 26 -0.088 -6.672 2.890
140 H CYS 27 H CYS 27 1.891 -3.524 3.356
141 HA CYS 27 HA CYS 27 3.914 -4.229 1.426
142 1HB CYS 27 1HB CYS 27 1.844 -2.061 1.134
143 2HB CYS 27 2HB CYS 27 2.786 -2.879 -0.075
144 H LEU 28 H LEU 28 4.052 -1.888 4.030
145 HA LEU 28 HA LEU 28 6.011 -0.270 2.545
146 1HB LEU 28 1HB LEU 28 4.629 -0.087 5.258
147 2HB LEU 28 2HB LEU 28 5.826 1.056 4.697
148 HG LEU 28 HG LEU 28 3.498 1.747 4.482
149 1HD1 LEU 28 1HD1 LEU 28 5.426 2.619 2.997
150 2HD1 LEU 28 2HD1 LEU 28 4.743 1.561 1.733
151 3HD1 LEU 28 3HD1 LEU 28 3.794 2.903 2.386
152 1HD2 LEU 28 1HD2 LEU 28 2.512 -0.426 3.668
153 2HD2 LEU 28 2HD2 LEU 28 1.952 1.039 2.894
154 3HD2 LEU 28 3HD2 LEU 28 3.142 0.014 2.051
155 H ALA 29 H ALA 29 5.730 -1.932 5.689
156 HA ALA 29 HA ALA 29 8.408 -1.267 6.394
157 1HB ALA 29 1HB ALA 29 7.827 -2.327 8.505
158 2HB ALA 29 2HB ALA 29 6.430 -3.142 7.754
159 3HB ALA 29 3HB ALA 29 6.464 -1.369 7.911
160 H GLY 30 H GLY 30 7.282 -3.933 4.597
161 1HA GLY 30 1HA GLY 30 8.788 -6.133 5.268
162 2HA GLY 30 2HA GLY 30 9.949 -5.024 4.489
163 H TYR 31 H TYR 31 9.308 -4.068 2.371
164 HA TYR 31 HA TYR 31 7.029 -5.500 1.071
165 1HB TYR 31 1HB TYR 31 6.492 -3.572 0.217
166 2HB TYR 31 2HB TYR 31 7.166 -2.952 1.702
167 HD1 TYR 31 HD1 TYR 31 10.157 -3.411 0.390
168 HD2 TYR 31 HD2 TYR 31 6.546 -1.430 -0.699
169 HE1 TYR 31 HE1 TYR 31 11.431 -1.854 -1.004
170 HE2 TYR 31 HE2 TYR 31 7.777 0.287 -2.004
171 HH TYR 31 HH TYR 31 9.917 0.926 -2.732
172 HA PRO 32 HA PRO 32 10.647 -6.174 -1.748
173 1HB PRO 32 1HB PRO 32 11.625 -8.726 -1.314
174 2HB PRO 32 2HB PRO 32 12.128 -7.302 -0.346
175 1HG PRO 32 1HG PRO 32 9.983 -9.334 0.351
176 2HG PRO 32 2HG PRO 32 11.349 -8.730 1.384
177 1HD PRO 32 1HD PRO 32 8.846 -7.671 1.539
178 2HD PRO 32 2HD PRO 32 10.316 -6.680 1.729
179 H ALA 33 H ALA 33 7.677 -7.715 -1.021
180 HA ALA 33 HA ALA 33 7.514 -9.017 -3.701
181 1HB ALA 33 1HB ALA 33 5.531 -10.169 -2.795
182 2HB ALA 33 2HB ALA 33 6.940 -10.494 -1.759
183 3HB ALA 33 3HB ALA 33 5.700 -9.310 -1.273
184 H GLY 34 H GLY 34 6.760 -6.107 -2.068
185 1HA GLY 34 1HA GLY 34 5.209 -4.509 -2.269
186 2HA GLY 34 2HA GLY 34 4.065 -5.783 -2.656
187 H CYS 35 H CYS 35 6.911 -4.842 -4.599
188 HA CYS 35 HA CYS 35 5.486 -3.275 -6.529
189 1HB CYS 35 1HB CYS 35 7.998 -4.975 -6.785
190 2HB CYS 35 2HB CYS 35 7.524 -3.698 -7.917
191 H SER 36 H SER 36 6.048 -6.695 -6.115
192 HA SER 36 HA SER 36 5.120 -7.496 -8.763
193 1HB SER 36 1HB SER 36 7.013 -8.534 -7.802
194 2HB SER 36 2HB SER 36 6.231 -8.781 -6.265
195 HG SER 36 HG SER 36 6.441 -10.364 -8.349
196 H ASN 37 H ASN 37 3.859 -7.241 -5.460
197 HA ASN 37 HA ASN 37 1.478 -8.847 -5.860
198 1HB ASN 37 1HB ASN 37 2.707 -7.227 -3.641
199 2HB ASN 37 2HB ASN 37 0.982 -7.211 -3.651
200 1HD2 ASN 37 2HD2 ASN 37 -0.198 -9.213 -3.850
201 2HD2 ASN 37 1HD2 ASN 37 0.361 -10.492 -2.776
202 H SER 38 H SER 38 0.172 -7.998 -7.555
203 HA SER 38 HA SER 38 -0.159 -5.334 -8.271
204 1HB SER 38 1HB SER 38 -2.280 -6.151 -9.331
205 2HB SER 38 2HB SER 38 -0.801 -7.054 -9.718
206 HG SER 38 HG SER 38 -2.958 -7.779 -8.046
207 H ASP 39 H ASP 39 -1.711 -6.965 -5.529
208 HA ASP 39 HA ASP 39 -3.839 -5.150 -4.994
209 1HB ASP 39 1HB ASP 39 -3.808 -7.238 -3.891
210 2HB ASP 39 2HB ASP 39 -2.164 -7.002 -3.291
211 H CYS 40 H CYS 40 -0.370 -4.947 -4.363
212 HA CYS 40 HA CYS 40 -0.717 -2.369 -2.930
213 1HB CYS 40 1HB CYS 40 1.140 -4.696 -2.480
214 2HB CYS 40 2HB CYS 40 1.685 -3.074 -2.074
215 H THR 41 H THR 41 0.561 -3.877 -5.797
216 HA THR 41 HA THR 41 2.689 -2.398 -6.384
217 HB THR 41 HB THR 41 0.345 -3.317 -8.071
218 HG1 THR 41 HG1 THR 41 2.414 -4.708 -8.619
219 1HG2 THR 41 1HG2 THR 41 1.541 -1.622 -9.433
220 2HG2 THR 41 2HG2 THR 41 3.033 -2.568 -9.224
221 3HG2 THR 41 3HG2 THR 41 1.601 -3.302 -10.029
222 H ALA 42 H ALA 42 -0.727 -1.265 -7.027
223 HA ALA 42 HA ALA 42 0.203 1.141 -8.364
224 1HB ALA 42 1HB ALA 42 -2.016 0.091 -8.834
225 2HB ALA 42 2HB ALA 42 -2.544 0.477 -7.180
226 3HB ALA 42 3HB ALA 42 -2.169 1.783 -8.309
227 H PHE 43 H PHE 43 -0.867 0.346 -5.070
228 HA PHE 43 HA PHE 43 -0.733 2.971 -3.933
229 1HB PHE 43 1HB PHE 43 -1.731 1.065 -2.767
230 2HB PHE 43 2HB PHE 43 -0.210 0.192 -2.786
231 HD1 PHE 43 HD1 PHE 43 1.694 0.890 -1.450
232 HD2 PHE 43 HD2 PHE 43 -2.211 2.539 -0.813
233 HE1 PHE 43 HE1 PHE 43 2.424 1.741 0.731
234 HE2 PHE 43 HE2 PHE 43 -1.515 3.274 1.433
235 HZ PHE 43 HZ PHE 43 0.802 2.927 2.214
236 H LEU 44 H LEU 44 1.784 0.382 -3.884
237 HA LEU 44 HA LEU 44 3.740 2.150 -2.950
238 1HB LEU 44 1HB LEU 44 3.983 -0.466 -4.469
239 2HB LEU 44 2HB LEU 44 5.323 0.336 -3.637
240 HG LEU 44 HG LEU 44 2.806 -0.736 -2.303
241 1HD1 LEU 44 1HD1 LEU 44 5.600 -1.859 -2.689
242 2HD1 LEU 44 2HD1 LEU 44 4.416 -2.490 -1.499
243 3HD1 LEU 44 3HD1 LEU 44 4.051 -2.500 -3.234
244 1HD2 LEU 44 1HD2 LEU 44 3.892 1.237 -1.119
245 2HD2 LEU 44 2HD2 LEU 44 3.788 -0.252 -0.226
246 3HD2 LEU 44 3HD2 LEU 44 5.338 0.253 -0.966
247 H SER 45 H SER 45 2.900 1.460 -6.330
248 HA SER 45 HA SER 45 4.980 2.733 -7.692
249 1HB SER 45 1HB SER 45 2.042 2.168 -8.043
250 2HB SER 45 2HB SER 45 2.749 3.266 -9.155
251 HG SER 45 HG SER 45 2.870 1.260 -10.000
252 H GLN 46 H GLN 46 2.157 4.105 -5.912
253 HA GLN 46 HA GLN 46 2.932 6.853 -6.578
254 1HB GLN 46 1HB GLN 46 0.756 5.642 -4.790
255 2HB GLN 46 2HB GLN 46 1.041 7.360 -5.029
256 1HG GLN 46 1HG GLN 46 0.762 7.016 -7.492
257 2HG GLN 46 2HG GLN 46 0.374 5.327 -7.215
258 1HE2 GLN 46 2HE2 GLN 46 -1.623 5.934 -8.412
259 2HE2 GLN 46 1HE2 GLN 46 -2.906 6.793 -7.543
260 H CYS 47 H CYS 47 3.095 4.745 -3.707
261 HA CYS 47 HA CYS 47 4.013 6.951 -2.062
262 1HB CYS 47 1HB CYS 47 4.367 4.134 -1.055
263 2HB CYS 47 2HB CYS 47 3.936 5.622 -0.231
264 H TYR 48 H TYR 48 5.725 4.472 -3.835
265 HA TYR 48 HA TYR 48 8.359 5.175 -2.613
266 1HB TYR 48 1HB TYR 48 7.188 2.569 -3.442
267 2HB TYR 48 2HB TYR 48 8.904 2.845 -3.581
268 HD1 TYR 48 HD1 TYR 48 6.154 2.339 -1.287
269 HD2 TYR 48 HD2 TYR 48 10.325 3.358 -1.584
270 HE1 TYR 48 HE1 TYR 48 6.550 1.292 0.888
271 HE2 TYR 48 HE2 TYR 48 10.712 2.498 0.701
272 HH TYR 48 HH TYR 48 8.361 0.474 2.347
273 H GLY 49 H GLY 49 6.482 5.062 -5.591
274 1HA GLY 49 1HA GLY 49 8.802 5.781 -7.235
275 2HA GLY 49 2HA GLY 49 7.125 5.678 -7.746
276 H GLY 50 H GLY 50 7.456 2.843 -6.187
277 1HA GLY 50 1HA GLY 50 7.831 1.266 -8.608
278 2HA GLY 50 2HA GLY 50 7.491 0.692 -6.965
279 H CYS 51 H CYS 51 9.048 -0.197 -5.863
280 HA CYS 51 HA CYS 51 11.478 0.411 -5.241
281 1HB CYS 51 1HB CYS 51 12.119 -1.949 -4.966
282 2HB CYS 51 2HB CYS 51 10.558 -1.536 -4.272
No H/Q in entry = 282
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 -8.942 -8.083 -1.591
2 H2 GLY 1 H2 GLY 1 -7.879 -7.184 -2.463
3 H3 GLY 1 H3 GLY 1 -7.571 -8.784 -2.210
4 1HA GLY 1 1HA GLY 1 -6.212 -7.339 -0.832
5 2HA GLY 1 2HA GLY 1 -7.239 -8.462 0.088
6 H GLU 2 H GLU 2 -6.471 -6.443 1.543
7 HA GLU 2 HA GLU 2 -8.857 -4.812 1.938
8 1HB GLU 2 1HB GLU 2 -7.718 -4.002 3.966
9 2HB GLU 2 2HB GLU 2 -7.997 -5.756 3.927
10 1HG GLU 2 1HG GLU 2 -5.716 -6.077 3.118
11 2HG GLU 2 2HG GLU 2 -5.413 -4.361 3.209
12 H CYS 3 H CYS 3 -5.604 -4.507 0.602
13 HA CYS 3 HA CYS 3 -5.383 -1.702 1.002
14 1HB CYS 3 1HB CYS 3 -3.439 -3.112 0.608
15 2HB CYS 3 2HB CYS 3 -3.956 -3.396 -1.065
16 H GLU 4 H GLU 4 -6.184 -3.490 -2.053
17 HA GLU 4 HA GLU 4 -6.763 -1.146 -3.486
18 1HB GLU 4 1HB GLU 4 -7.970 -3.906 -3.916
19 2HB GLU 4 2HB GLU 4 -8.045 -2.544 -5.062
20 1HG GLU 4 1HG GLU 4 -5.499 -2.443 -4.957
21 2HG GLU 4 2HG GLU 4 -5.565 -3.970 -4.065
22 H GLN 5 H GLN 5 -8.830 -2.880 -1.190
23 HA GLN 5 HA GLN 5 -11.230 -1.393 -1.848
24 1HB GLN 5 1HB GLN 5 -10.914 -3.705 -0.557
25 2HB GLN 5 2HB GLN 5 -10.553 -2.710 0.837
26 1HG GLN 5 1HG GLN 5 -12.893 -3.403 0.857
27 2HG GLN 5 2HG GLN 5 -12.812 -1.651 0.694
28 1HE2 GLN 5 2HE2 GLN 5 -13.890 -0.722 -1.119
29 2HE2 GLN 5 1HE2 GLN 5 -14.393 -1.660 -2.523
30 H CYS 6 H CYS 6 -8.402 -0.521 -0.075
31 HA CYS 6 HA CYS 6 -9.745 1.757 1.281
32 1HB CYS 6 1HB CYS 6 -7.770 0.447 2.207
33 2HB CYS 6 2HB CYS 6 -6.778 1.149 0.943
34 H PHE 7 H PHE 7 -7.440 1.049 -1.366
35 HA PHE 7 HA PHE 7 -7.161 3.661 -2.355
36 1HB PHE 7 1HB PHE 7 -6.344 1.018 -3.050
37 2HB PHE 7 2HB PHE 7 -7.120 1.672 -4.473
38 HD1 PHE 7 HD1 PHE 7 -5.854 3.166 -5.896
39 HD2 PHE 7 HD2 PHE 7 -4.617 2.544 -1.794
40 HE1 PHE 7 HE1 PHE 7 -3.748 4.344 -6.344
41 HE2 PHE 7 HE2 PHE 7 -2.534 3.772 -2.268
42 HZ PHE 7 HZ PHE 7 -2.076 4.653 -4.529
43 H SER 8 H SER 8 -9.722 1.282 -3.062
44 HA SER 8 HA SER 8 -10.953 2.689 -5.173
45 1HB SER 8 1HB SER 8 -11.337 0.262 -3.848
46 2HB SER 8 2HB SER 8 -12.787 1.169 -3.400
47 HG SER 8 HG SER 8 -11.739 0.791 -6.025
48 H ASP 9 H ASP 9 -10.983 3.323 -1.725
49 HA ASP 9 HA ASP 9 -13.151 5.351 -2.067
50 1HB ASP 9 1HB ASP 9 -12.965 3.624 -0.154
51 2HB ASP 9 2HB ASP 9 -11.761 4.708 0.542
52 H GLY 10 H GLY 10 -10.636 5.654 -3.483
53 1HA GLY 10 1HA GLY 10 -10.280 8.448 -2.890
54 2HA GLY 10 2HA GLY 10 -9.453 7.493 -4.129
55 H GLY 11 H GLY 11 -8.527 5.552 -1.947
56 1HA GLY 11 1HA GLY 11 -6.638 5.237 -0.687
57 2HA GLY 11 2HA GLY 11 -6.750 6.944 -0.203
58 H ASP 12 H ASP 12 -4.479 7.252 -0.384
59 HA ASP 12 HA ASP 12 -3.339 7.033 -3.165
60 1HB ASP 12 1HB ASP 12 -3.616 9.359 -1.465
61 2HB ASP 12 2HB ASP 12 -1.943 8.988 -1.438
62 H CYS 13 H CYS 13 -2.350 7.448 0.141
63 HA CYS 13 HA CYS 13 -0.899 4.992 0.272
64 1HB CYS 13 1HB CYS 13 0.874 6.198 -0.865
65 2HB CYS 13 2HB CYS 13 0.799 7.522 0.309
66 H THR 14 H THR 14 -0.804 8.318 1.651
67 HA THR 14 HA THR 14 -0.306 7.579 4.244
68 HB THR 14 HB THR 14 -1.789 10.057 3.260
69 HG1 THR 14 HG1 THR 14 0.498 10.785 3.177
70 1HG2 THR 14 1HG2 THR 14 0.054 9.580 5.648
71 2HG2 THR 14 2HG2 THR 14 -0.599 11.160 5.143
72 3HG2 THR 14 3HG2 THR 14 -1.686 9.895 5.714
73 H THR 15 H THR 15 -3.587 8.117 2.741
74 HA THR 15 HA THR 15 -4.809 7.658 5.353
75 HB THR 15 HB THR 15 -5.301 9.300 3.378
76 HG1 THR 15 HG1 THR 15 -7.734 8.710 4.019
77 1HG2 THR 15 1HG2 THR 15 -6.745 6.962 2.233
78 2HG2 THR 15 2HG2 THR 15 -7.219 8.631 1.959
79 3HG2 THR 15 3HG2 THR 15 -5.619 8.122 1.494
80 H CYS 16 H CYS 16 -3.272 5.426 4.058
81 HA CYS 16 HA CYS 16 -5.160 3.182 4.559
82 1HB CYS 16 1HB CYS 16 -3.542 3.592 2.013
83 2HB CYS 16 2HB CYS 16 -4.319 2.087 2.451
84 H PHE 17 H PHE 17 -2.140 4.690 5.089
85 HA PHE 17 HA PHE 17 -0.713 2.150 5.438
86 1HB PHE 17 1HB PHE 17 0.508 4.151 4.635
87 2HB PHE 17 2HB PHE 17 0.081 5.011 6.113
88 HD1 PHE 17 HD1 PHE 17 1.990 5.180 7.561
89 HD2 PHE 17 HD2 PHE 17 1.360 1.585 5.328
90 HE1 PHE 17 HE1 PHE 17 3.829 4.086 8.789
91 HE2 PHE 17 HE2 PHE 17 3.145 0.431 6.618
92 HZ PHE 17 HZ PHE 17 4.454 1.682 8.223
93 H ASN 18 H ASN 18 -2.457 4.568 7.341
94 HA ASN 18 HA ASN 18 -3.018 4.770 9.496
95 1HB ASN 18 1HB ASN 18 -4.365 2.761 8.520
96 2HB ASN 18 2HB ASN 18 -3.232 1.834 9.539
97 1HD2 ASN 18 2HD2 ASN 18 -6.260 2.086 9.796
98 2HD2 ASN 18 1HD2 ASN 18 -6.526 2.867 11.336
99 H ASN 19 H ASN 19 -0.497 4.970 9.328
100 HA ASN 19 HA ASN 19 1.483 4.350 9.664
101 1HB ASN 19 1HB ASN 19 0.822 6.113 11.337
102 2HB ASN 19 2HB ASN 19 0.856 4.847 12.568
103 1HD2 ASN 19 2HD2 ASN 19 2.846 4.379 13.461
104 2HD2 ASN 19 1HD2 ASN 19 4.405 4.825 12.793
105 H GLY 20 H GLY 20 0.792 1.997 9.056
106 1HA GLY 20 1HA GLY 20 2.617 0.383 10.664
107 2HA GLY 20 2HA GLY 20 2.071 0.083 9.037
108 H THR 21 H THR 21 -0.750 0.785 10.481
109 HA THR 21 HA THR 21 -1.480 -2.028 11.055
110 HB THR 21 HB THR 21 -2.895 -0.894 12.971
111 HG1 THR 21 HG1 THR 21 -1.618 1.253 12.260
112 1HG2 THR 21 1HG2 THR 21 0.080 -1.375 13.242
113 2HG2 THR 21 2HG2 THR 21 -1.105 -1.348 14.580
114 3HG2 THR 21 3HG2 THR 21 -1.197 -2.604 13.339
115 H GLY 22 H GLY 22 -1.865 -1.070 8.676
116 1HA GLY 22 1HA GLY 22 -3.510 0.678 7.682
117 2HA GLY 22 2HA GLY 22 -4.725 -0.395 8.427
118 HA PRO 23 HA PRO 23 -4.949 -2.927 5.180
119 1HB PRO 23 1HB PRO 23 -6.026 -1.686 2.982
120 2HB PRO 23 2HB PRO 23 -6.892 -1.918 4.522
121 1HG PRO 23 1HG PRO 23 -5.383 0.525 3.553
122 2HG PRO 23 2HG PRO 23 -7.020 0.450 4.279
123 1HD PRO 23 1HD PRO 23 -4.875 1.090 5.793
124 2HD PRO 23 2HD PRO 23 -6.167 0.096 6.423
125 H CYS 24 H CYS 24 -3.075 -0.187 4.006
126 HA CYS 24 HA CYS 24 -1.287 -2.193 2.692
127 1HB CYS 24 1HB CYS 24 -2.231 0.361 1.541
128 2HB CYS 24 2HB CYS 24 -0.486 0.211 1.653
129 H ALA 25 H ALA 25 -1.006 -2.339 5.122
130 HA ALA 25 HA ALA 25 1.043 -0.333 5.966
131 1HB ALA 25 1HB ALA 25 -0.389 -2.490 7.524
132 2HB ALA 25 2HB ALA 25 -0.423 -0.703 7.729
133 3HB ALA 25 3HB ALA 25 1.057 -1.630 8.067
134 H ASN 26 H ASN 26 0.475 -3.856 5.767
135 HA ASN 26 HA ASN 26 3.126 -4.525 6.247
136 1HB ASN 26 1HB ASN 26 2.625 -6.733 5.521
137 2HB ASN 26 2HB ASN 26 1.133 -6.126 6.227
138 1HD2 ASN 26 2HD2 ASN 26 -0.657 -5.402 4.644
139 2HD2 ASN 26 1HD2 ASN 26 -0.632 -6.035 3.034
140 H CYS 27 H CYS 27 1.629 -3.551 3.239
141 HA CYS 27 HA CYS 27 3.740 -4.318 1.463
142 1HB CYS 27 1HB CYS 27 1.592 -2.257 0.948
143 2HB CYS 27 2HB CYS 27 2.689 -3.018 -0.171
144 H LEU 28 H LEU 28 3.945 -1.800 3.909
145 HA LEU 28 HA LEU 28 6.021 -0.430 2.357
146 1HB LEU 28 1HB LEU 28 4.683 -0.014 5.072
147 2HB LEU 28 2HB LEU 28 5.950 1.006 4.416
148 HG LEU 28 HG LEU 28 3.724 1.876 4.331
149 1HD1 LEU 28 1HD1 LEU 28 5.586 2.558 2.690
150 2HD1 LEU 28 2HD1 LEU 28 4.649 1.623 1.497
151 3HD1 LEU 28 3HD1 LEU 28 3.933 3.039 2.280
152 1HD2 LEU 28 1HD2 LEU 28 2.541 -0.171 3.737
153 2HD2 LEU 28 2HD2 LEU 28 2.060 1.264 2.864
154 3HD2 LEU 28 3HD2 LEU 28 3.097 0.077 2.028
155 H ALA 29 H ALA 29 5.538 -1.943 5.602
156 HA ALA 29 HA ALA 29 8.072 -1.040 6.429
157 1HB ALA 29 1HB ALA 29 7.569 -2.174 8.546
158 2HB ALA 29 2HB ALA 29 6.266 -3.083 7.770
159 3HB ALA 29 3HB ALA 29 6.142 -1.321 7.937
160 H GLY 30 H GLY 30 7.367 -3.875 4.695
161 1HA GLY 30 1HA GLY 30 9.318 -5.770 5.221
162 2HA GLY 30 2HA GLY 30 10.165 -4.407 4.417
163 H TYR 31 H TYR 31 9.702 -3.967 2.241
164 HA TYR 31 HA TYR 31 7.430 -5.455 0.961
165 1HB TYR 31 1HB TYR 31 6.695 -3.488 0.038
166 2HB TYR 31 2HB TYR 31 7.077 -2.963 1.679
167 HD1 TYR 31 HD1 TYR 31 6.662 -1.311 -0.753
168 HD2 TYR 31 HD2 TYR 31 10.268 -2.945 0.802
169 HE1 TYR 31 HE1 TYR 31 7.919 0.562 -1.861
170 HE2 TYR 31 HE2 TYR 31 11.573 -1.107 -0.202
171 HH TYR 31 HH TYR 31 11.459 0.439 -1.980
172 HA PRO 32 HA PRO 32 11.344 -5.298 -1.604
173 1HB PRO 32 1HB PRO 32 12.278 -7.908 -1.593
174 2HB PRO 32 2HB PRO 32 12.743 -6.684 -0.389
175 1HG PRO 32 1HG PRO 32 10.672 -8.858 -0.113
176 2HG PRO 32 2HG PRO 32 11.868 -8.261 1.092
177 1HD PRO 32 1HD PRO 32 9.240 -7.480 1.111
178 2HD PRO 32 2HD PRO 32 10.593 -6.467 1.677
179 H ALA 33 H ALA 33 8.921 -7.784 -1.315
180 HA ALA 33 HA ALA 33 8.647 -8.348 -4.188
181 1HB ALA 33 1HB ALA 33 7.256 -10.171 -3.344
182 2HB ALA 33 2HB ALA 33 8.818 -10.178 -2.513
183 3HB ALA 33 3HB ALA 33 7.378 -9.530 -1.684
184 H GLY 34 H GLY 34 7.470 -5.866 -2.242
185 1HA GLY 34 1HA GLY 34 5.406 -4.765 -2.054
186 2HA GLY 34 2HA GLY 34 4.633 -6.286 -2.467
187 H CYS 35 H CYS 35 6.998 -4.768 -4.614
188 HA CYS 35 HA CYS 35 5.272 -3.552 -6.489
189 1HB CYS 35 1HB CYS 35 7.758 -5.056 -7.263
190 2HB CYS 35 2HB CYS 35 7.208 -3.494 -7.868
191 H SER 36 H SER 36 5.729 -6.894 -5.746
192 HA SER 36 HA SER 36 4.595 -7.879 -8.302
193 1HB SER 36 1HB SER 36 6.470 -8.938 -6.214
194 2HB SER 36 2HB SER 36 5.353 -10.103 -6.960
195 HG SER 36 HG SER 36 6.284 -9.845 -8.828
196 H ASN 37 H ASN 37 3.488 -6.699 -5.404
197 HA ASN 37 HA ASN 37 1.232 -8.642 -5.294
198 1HB ASN 37 1HB ASN 37 2.610 -7.376 -3.113
199 2HB ASN 37 2HB ASN 37 1.123 -6.520 -3.281
200 1HD2 ASN 37 2HD2 ASN 37 -0.580 -7.300 -2.101
201 2HD2 ASN 37 1HD2 ASN 37 -0.842 -9.003 -1.804
202 H SER 38 H SER 38 0.262 -7.849 -7.305
203 HA SER 38 HA SER 38 0.005 -5.187 -8.100
204 1HB SER 38 1HB SER 38 -1.755 -7.513 -8.508
205 2HB SER 38 2HB SER 38 -2.076 -5.923 -9.228
206 HG SER 38 HG SER 38 0.167 -7.628 -9.624
207 H ASP 39 H ASP 39 -1.838 -6.942 -5.638
208 HA ASP 39 HA ASP 39 -3.948 -5.204 -5.089
209 1HB ASP 39 1HB ASP 39 -3.225 -7.525 -4.118
210 2HB ASP 39 2HB ASP 39 -2.382 -6.594 -2.907
211 H CYS 40 H CYS 40 -0.548 -4.856 -4.353
212 HA CYS 40 HA CYS 40 -0.946 -2.370 -2.767
213 1HB CYS 40 1HB CYS 40 1.222 -4.526 -2.675
214 2HB CYS 40 2HB CYS 40 1.377 -2.968 -1.876
215 H THR 41 H THR 41 -0.132 -3.364 -5.910
216 HA THR 41 HA THR 41 2.410 -2.064 -6.116
217 HB THR 41 HB THR 41 0.418 -3.235 -8.043
218 HG1 THR 41 HG1 THR 41 1.729 -4.501 -6.489
219 1HG2 THR 41 1HG2 THR 41 1.726 -1.667 -9.375
220 2HG2 THR 41 2HG2 THR 41 3.238 -2.404 -8.763
221 3HG2 THR 41 3HG2 THR 41 2.086 -3.366 -9.740
222 H ALA 42 H ALA 42 -0.955 -0.942 -7.002
223 HA ALA 42 HA ALA 42 0.052 1.449 -8.288
224 1HB ALA 42 1HB ALA 42 -2.246 0.703 -8.686
225 2HB ALA 42 2HB ALA 42 -2.649 0.950 -6.969
226 3HB ALA 42 3HB ALA 42 -2.220 2.339 -7.976
227 H PHE 43 H PHE 43 -1.065 0.619 -5.032
228 HA PHE 43 HA PHE 43 -0.714 3.085 -3.708
229 1HB PHE 43 1HB PHE 43 -1.791 1.125 -2.676
230 2HB PHE 43 2HB PHE 43 -0.255 0.269 -2.705
231 HD1 PHE 43 HD1 PHE 43 1.727 1.216 -1.449
232 HD2 PHE 43 HD2 PHE 43 -2.350 2.259 -0.598
233 HE1 PHE 43 HE1 PHE 43 2.446 2.120 0.702
234 HE2 PHE 43 HE2 PHE 43 -1.618 3.020 1.684
235 HZ PHE 43 HZ PHE 43 0.772 2.985 2.295
236 H LEU 44 H LEU 44 1.785 0.431 -3.945
237 HA LEU 44 HA LEU 44 3.720 2.185 -2.912
238 1HB LEU 44 1HB LEU 44 4.103 -0.376 -4.500
239 2HB LEU 44 2HB LEU 44 5.350 0.450 -3.598
240 HG LEU 44 HG LEU 44 2.809 -0.667 -2.344
241 1HD1 LEU 44 1HD1 LEU 44 5.592 -1.829 -2.611
242 2HD1 LEU 44 2HD1 LEU 44 4.335 -2.477 -1.530
243 3HD1 LEU 44 3HD1 LEU 44 4.086 -2.457 -3.285
244 1HD2 LEU 44 1HD2 LEU 44 3.870 1.262 -1.074
245 2HD2 LEU 44 2HD2 LEU 44 3.649 -0.241 -0.230
246 3HD2 LEU 44 3HD2 LEU 44 5.253 0.206 -0.840
247 H SER 45 H SER 45 2.879 1.557 -6.274
248 HA SER 45 HA SER 45 5.027 2.840 -7.590
249 1HB SER 45 1HB SER 45 2.998 1.616 -8.601
250 2HB SER 45 2HB SER 45 2.135 3.142 -8.436
251 HG SER 45 HG SER 45 3.057 2.977 -10.448
252 H GLN 46 H GLN 46 2.074 4.184 -6.101
253 HA GLN 46 HA GLN 46 2.828 6.922 -6.635
254 1HB GLN 46 1HB GLN 46 0.653 5.648 -4.903
255 2HB GLN 46 2HB GLN 46 0.837 7.405 -5.198
256 1HG GLN 46 1HG GLN 46 0.417 7.247 -7.490
257 2HG GLN 46 2HG GLN 46 0.707 5.517 -7.534
258 1HE2 GLN 46 2HE2 GLN 46 -1.620 7.415 -5.399
259 2HE2 GLN 46 1HE2 GLN 46 -3.006 6.603 -6.048
260 H CYS 47 H CYS 47 2.778 4.941 -3.582
261 HA CYS 47 HA CYS 47 3.780 7.061 -2.036
262 1HB CYS 47 1HB CYS 47 2.710 4.711 -1.365
263 2HB CYS 47 2HB CYS 47 4.411 4.270 -1.093
264 H TYR 48 H TYR 48 5.617 4.438 -3.631
265 HA TYR 48 HA TYR 48 8.180 5.480 -2.545
266 1HB TYR 48 1HB TYR 48 7.371 2.774 -3.427
267 2HB TYR 48 2HB TYR 48 9.043 3.291 -3.288
268 HD1 TYR 48 HD1 TYR 48 6.224 2.116 -1.466
269 HD2 TYR 48 HD2 TYR 48 9.801 4.449 -1.093
270 HE1 TYR 48 HE1 TYR 48 6.521 1.322 0.843
271 HE2 TYR 48 HE2 TYR 48 9.941 3.915 1.307
272 HH TYR 48 HH TYR 48 8.869 2.840 3.060
273 H GLY 49 H GLY 49 6.677 4.190 -5.525
274 1HA GLY 49 1HA GLY 49 9.076 4.883 -7.099
275 2HA GLY 49 2HA GLY 49 7.518 5.543 -7.639
276 H GLY 50 H GLY 50 7.630 2.479 -5.976
277 1HA GLY 50 1HA GLY 50 6.364 1.122 -8.276
278 2HA GLY 50 2HA GLY 50 6.394 0.593 -6.577
279 H CYS 51 H CYS 51 8.747 0.441 -5.802
280 HA CYS 51 HA CYS 51 10.532 -0.907 -5.560
281 1HB CYS 51 1HB CYS 51 10.064 -1.756 -8.415
282 2HB CYS 51 2HB CYS 51 11.655 -1.813 -7.739
No H/Q in entry = 282
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 -10.032 -7.145 -1.970
2 H2 GLY 1 H2 GLY 1 -9.157 -6.375 -3.129
3 H3 GLY 1 H3 GLY 1 -9.051 -8.017 -2.981
4 1HA GLY 1 1HA GLY 1 -7.117 -6.895 -2.086
5 2HA GLY 1 2HA GLY 1 -8.012 -7.841 -0.872
6 H GLU 2 H GLU 2 -7.740 -6.692 0.959
7 HA GLU 2 HA GLU 2 -9.235 -4.505 1.612
8 1HB GLU 2 1HB GLU 2 -7.648 -4.233 3.496
9 2HB GLU 2 2HB GLU 2 -8.635 -5.689 3.378
10 1HG GLU 2 1HG GLU 2 -5.915 -5.715 2.151
11 2HG GLU 2 2HG GLU 2 -6.064 -5.690 3.897
12 H CYS 3 H CYS 3 -5.881 -4.423 0.255
13 HA CYS 3 HA CYS 3 -5.510 -1.650 0.650
14 1HB CYS 3 1HB CYS 3 -4.394 -3.823 -1.162
15 2HB CYS 3 2HB CYS 3 -3.915 -2.163 -1.301
16 H GLU 4 H GLU 4 -6.592 -3.646 -2.141
17 HA GLU 4 HA GLU 4 -6.840 -1.596 -4.064
18 1HB GLU 4 1HB GLU 4 -8.481 -4.151 -3.755
19 2HB GLU 4 2HB GLU 4 -8.412 -3.159 -5.200
20 1HG GLU 4 1HG GLU 4 -6.005 -3.678 -5.478
21 2HG GLU 4 2HG GLU 4 -6.013 -4.566 -3.966
22 H GLN 5 H GLN 5 -9.164 -2.865 -1.675
23 HA GLN 5 HA GLN 5 -11.364 -1.269 -2.513
24 1HB GLN 5 1HB GLN 5 -11.171 -3.394 -0.929
25 2HB GLN 5 2HB GLN 5 -11.084 -2.196 0.360
26 1HG GLN 5 1HG GLN 5 -13.273 -2.425 -1.770
27 2HG GLN 5 2HG GLN 5 -13.400 -3.063 -0.150
28 1HE2 GLN 5 2HE2 GLN 5 -13.836 -0.259 -2.106
29 2HE2 GLN 5 1HE2 GLN 5 -14.231 0.849 -0.790
30 H CYS 6 H CYS 6 -8.875 -0.745 0.056
31 HA CYS 6 HA CYS 6 -9.797 1.729 1.004
32 1HB CYS 6 1HB CYS 6 -7.772 0.177 1.710
33 2HB CYS 6 2HB CYS 6 -6.845 1.211 0.645
34 H PHE 7 H PHE 7 -7.856 1.010 -1.892
35 HA PHE 7 HA PHE 7 -7.314 3.722 -2.635
36 1HB PHE 7 1HB PHE 7 -6.780 1.078 -3.664
37 2HB PHE 7 2HB PHE 7 -7.513 2.008 -4.955
38 HD1 PHE 7 HD1 PHE 7 -4.695 1.839 -2.571
39 HD2 PHE 7 HD2 PHE 7 -6.430 4.048 -5.846
40 HE1 PHE 7 HE1 PHE 7 -2.563 3.054 -2.920
41 HE2 PHE 7 HE2 PHE 7 -4.343 5.264 -6.154
42 HZ PHE 7 HZ PHE 7 -2.348 4.769 -4.680
43 H SER 8 H SER 8 -9.956 1.475 -3.533
44 HA SER 8 HA SER 8 -11.370 3.166 -5.319
45 1HB SER 8 1HB SER 8 -11.809 0.668 -3.981
46 2HB SER 8 2HB SER 8 -13.176 1.704 -3.548
47 HG SER 8 HG SER 8 -13.923 1.218 -5.445
48 H ASP 9 H ASP 9 -11.370 2.928 -1.760
49 HA ASP 9 HA ASP 9 -13.341 5.009 -1.390
50 1HB ASP 9 1HB ASP 9 -12.716 2.847 -0.008
51 2HB ASP 9 2HB ASP 9 -11.538 3.887 0.775
52 H GLY 10 H GLY 10 -11.083 5.934 -2.885
53 1HA GLY 10 1HA GLY 10 -10.699 8.455 -1.546
54 2HA GLY 10 2HA GLY 10 -10.105 7.981 -3.141
55 H GLY 11 H GLY 11 -8.760 5.568 -1.610
56 1HA GLY 11 1HA GLY 11 -6.791 5.069 -0.593
57 2HA GLY 11 2HA GLY 11 -6.828 6.665 0.166
58 H ASP 12 H ASP 12 -4.585 6.910 -0.136
59 HA ASP 12 HA ASP 12 -3.526 6.831 -2.906
60 1HB ASP 12 1HB ASP 12 -1.871 8.689 -2.137
61 2HB ASP 12 2HB ASP 12 -3.478 9.105 -2.709
62 H CYS 13 H CYS 13 -2.005 7.548 0.217
63 HA CYS 13 HA CYS 13 -0.989 4.821 0.496
64 1HB CYS 13 1HB CYS 13 0.766 5.879 -0.834
65 2HB CYS 13 2HB CYS 13 0.858 7.236 0.291
66 H THR 14 H THR 14 -0.604 8.181 1.669
67 HA THR 14 HA THR 14 -0.277 7.747 4.369
68 HB THR 14 HB THR 14 -1.493 9.949 2.678
69 HG1 THR 14 HG1 THR 14 0.532 10.054 2.359
70 1HG2 THR 14 1HG2 THR 14 -0.848 10.292 5.613
71 2HG2 THR 14 2HG2 THR 14 -1.264 11.552 4.444
72 3HG2 THR 14 3HG2 THR 14 -2.466 10.355 4.859
73 H THR 15 H THR 15 -3.445 8.280 2.667
74 HA THR 15 HA THR 15 -4.723 7.868 5.253
75 HB THR 15 HB THR 15 -5.070 9.544 3.280
76 HG1 THR 15 HG1 THR 15 -7.483 9.348 4.087
77 1HG2 THR 15 1HG2 THR 15 -5.675 7.945 1.549
78 2HG2 THR 15 2HG2 THR 15 -7.183 7.572 2.426
79 3HG2 THR 15 3HG2 THR 15 -6.881 9.207 1.815
80 H CYS 16 H CYS 16 -3.357 5.520 4.104
81 HA CYS 16 HA CYS 16 -5.375 3.428 4.629
82 1HB CYS 16 1HB CYS 16 -3.865 3.786 2.024
83 2HB CYS 16 2HB CYS 16 -4.530 2.235 2.517
84 H PHE 17 H PHE 17 -3.033 4.663 5.979
85 HA PHE 17 HA PHE 17 -1.377 2.170 6.285
86 1HB PHE 17 1HB PHE 17 -0.154 3.970 5.033
87 2HB PHE 17 2HB PHE 17 -0.340 5.041 6.411
88 HD1 PHE 17 HD1 PHE 17 1.330 4.961 8.236
89 HD2 PHE 17 HD2 PHE 17 1.072 1.722 5.373
90 HE1 PHE 17 HE1 PHE 17 3.336 3.879 9.207
91 HE2 PHE 17 HE2 PHE 17 2.994 0.588 6.494
92 HZ PHE 17 HZ PHE 17 4.069 1.657 8.427
93 H ASN 18 H ASN 18 -3.044 4.926 7.980
94 HA ASN 18 HA ASN 18 -3.431 5.241 10.184
95 1HB ASN 18 1HB ASN 18 -4.470 2.925 9.514
96 2HB ASN 18 2HB ASN 18 -3.284 2.268 10.632
97 1HD2 ASN 18 2HD2 ASN 18 -3.495 2.915 12.944
98 2HD2 ASN 18 1HD2 ASN 18 -5.041 3.455 13.542
99 H ASN 19 H ASN 19 -0.426 4.729 9.457
100 HA ASN 19 HA ASN 19 1.542 4.470 10.338
101 1HB ASN 19 1HB ASN 19 0.414 6.228 12.028
102 2HB ASN 19 2HB ASN 19 1.151 5.066 13.147
103 1HD2 ASN 19 2HD2 ASN 19 3.340 5.690 13.611
104 2HD2 ASN 19 1HD2 ASN 19 4.325 6.588 12.457
105 H GLY 20 H GLY 20 1.014 2.377 9.633
106 1HA GLY 20 1HA GLY 20 2.598 0.709 11.312
107 2HA GLY 20 2HA GLY 20 2.202 0.522 9.636
108 H THR 21 H THR 21 -0.815 0.731 10.493
109 HA THR 21 HA THR 21 -1.270 -2.116 11.052
110 HB THR 21 HB THR 21 -1.342 0.085 12.898
111 HG1 THR 21 HG1 THR 21 -0.589 -1.405 13.976
112 1HG2 THR 21 1HG2 THR 21 -3.720 0.205 12.563
113 2HG2 THR 21 2HG2 THR 21 -3.877 -1.521 13.001
114 3HG2 THR 21 3HG2 THR 21 -3.280 -0.348 14.187
115 H GLY 22 H GLY 22 -1.681 0.034 8.803
116 1HA GLY 22 1HA GLY 22 -3.388 0.807 7.404
117 2HA GLY 22 2HA GLY 22 -4.605 0.024 8.422
118 HA PRO 23 HA PRO 23 -4.857 -3.216 5.449
119 1HB PRO 23 1HB PRO 23 -5.518 -2.197 2.949
120 2HB PRO 23 2HB PRO 23 -6.648 -2.303 4.340
121 1HG PRO 23 1HG PRO 23 -5.110 0.092 3.358
122 2HG PRO 23 2HG PRO 23 -6.790 0.001 3.973
123 1HD PRO 23 1HD PRO 23 -4.667 0.852 5.501
124 2HD PRO 23 2HD PRO 23 -6.088 0.098 6.182
125 H CYS 24 H CYS 24 -3.042 -0.536 3.857
126 HA CYS 24 HA CYS 24 -1.162 -2.522 2.652
127 1HB CYS 24 1HB CYS 24 -2.295 0.081 1.725
128 2HB CYS 24 2HB CYS 24 -0.557 -0.116 1.520
129 H ALA 25 H ALA 25 -0.297 -2.841 4.707
130 HA ALA 25 HA ALA 25 1.170 -0.508 5.863
131 1HB ALA 25 1HB ALA 25 0.026 -2.997 7.204
132 2HB ALA 25 2HB ALA 25 0.977 -1.679 7.962
133 3HB ALA 25 3HB ALA 25 -0.618 -1.325 7.238
134 H ASN 26 H ASN 26 1.303 -4.064 5.867
135 HA ASN 26 HA ASN 26 4.069 -4.281 6.259
136 1HB ASN 26 1HB ASN 26 3.650 -6.609 5.171
137 2HB ASN 26 2HB ASN 26 2.606 -6.216 6.534
138 1HD2 ASN 26 2HD2 ASN 26 2.671 -6.901 3.066
139 2HD2 ASN 26 1HD2 ASN 26 0.947 -6.724 2.821
140 H CYS 27 H CYS 27 2.193 -3.661 3.324
141 HA CYS 27 HA CYS 27 4.286 -3.977 1.436
142 1HB CYS 27 1HB CYS 27 1.883 -2.170 1.074
143 2HB CYS 27 2HB CYS 27 2.997 -2.786 -0.095
144 H LEU 28 H LEU 28 4.289 -1.555 4.017
145 HA LEU 28 HA LEU 28 6.059 0.122 2.446
146 1HB LEU 28 1HB LEU 28 4.758 0.147 5.217
147 2HB LEU 28 2HB LEU 28 5.997 1.318 4.740
148 HG LEU 28 HG LEU 28 3.728 2.081 4.484
149 1HD1 LEU 28 1HD1 LEU 28 5.699 2.811 2.938
150 2HD1 LEU 28 2HD1 LEU 28 4.872 1.838 1.710
151 3HD1 LEU 28 3HD1 LEU 28 4.051 3.253 2.407
152 1HD2 LEU 28 1HD2 LEU 28 2.678 -0.041 3.713
153 2HD2 LEU 28 2HD2 LEU 28 2.175 1.426 2.899
154 3HD2 LEU 28 3HD2 LEU 28 3.329 0.347 2.070
155 H ALA 29 H ALA 29 6.235 -1.686 5.536
156 HA ALA 29 HA ALA 29 9.067 -1.039 5.777
157 1HB ALA 29 1HB ALA 29 8.901 -2.386 7.832
158 2HB ALA 29 2HB ALA 29 7.709 -1.085 7.764
159 3HB ALA 29 3HB ALA 29 7.198 -2.758 7.449
160 H GLY 30 H GLY 30 7.598 -4.288 6.101
161 1HA GLY 30 1HA GLY 30 8.482 -6.324 5.443
162 2HA GLY 30 2HA GLY 30 9.837 -5.499 4.697
163 H TYR 31 H TYR 31 9.110 -4.007 2.725
164 HA TYR 31 HA TYR 31 7.059 -5.460 1.075
165 1HB TYR 31 1HB TYR 31 6.493 -3.453 0.205
166 2HB TYR 31 2HB TYR 31 6.905 -2.898 1.836
167 HD1 TYR 31 HD1 TYR 31 10.003 -3.064 1.288
168 HD2 TYR 31 HD2 TYR 31 6.718 -1.344 -0.819
169 HE1 TYR 31 HE1 TYR 31 11.470 -1.259 0.489
170 HE2 TYR 31 HE2 TYR 31 8.184 0.393 -1.869
171 HH TYR 31 HH TYR 31 10.310 1.454 -1.506
172 HA PRO 32 HA PRO 32 11.143 -5.424 -1.085
173 1HB PRO 32 1HB PRO 32 12.250 -7.917 -0.864
174 2HB PRO 32 2HB PRO 32 12.415 -6.666 0.408
175 1HG PRO 32 1HG PRO 32 10.457 -8.978 0.290
176 2HG PRO 32 2HG PRO 32 11.447 -8.407 1.681
177 1HD PRO 32 1HD PRO 32 8.800 -7.651 1.360
178 2HD PRO 32 2HD PRO 32 10.044 -6.632 2.122
179 H ALA 33 H ALA 33 8.363 -7.320 -1.208
180 HA ALA 33 HA ALA 33 8.669 -8.099 -4.067
181 1HB ALA 33 1HB ALA 33 7.109 -9.923 -3.546
182 2HB ALA 33 2HB ALA 33 8.516 -10.036 -2.473
183 3HB ALA 33 3HB ALA 33 6.977 -9.346 -1.873
184 H GLY 34 H GLY 34 7.332 -5.742 -2.183
185 1HA GLY 34 1HA GLY 34 5.418 -4.488 -2.135
186 2HA GLY 34 2HA GLY 34 4.508 -5.955 -2.511
187 H CYS 35 H CYS 35 7.068 -4.628 -4.644
188 HA CYS 35 HA CYS 35 5.360 -3.216 -6.461
189 1HB CYS 35 1HB CYS 35 7.960 -4.667 -7.060
190 2HB CYS 35 2HB CYS 35 7.288 -3.307 -7.963
191 H SER 36 H SER 36 5.956 -6.643 -6.017
192 HA SER 36 HA SER 36 4.919 -7.358 -8.685
193 1HB SER 36 1HB SER 36 6.957 -8.402 -7.621
194 2HB SER 36 2HB SER 36 5.904 -9.106 -6.382
195 HG SER 36 HG SER 36 6.471 -10.399 -8.305
196 H ASN 37 H ASN 37 3.950 -7.024 -5.324
197 HA ASN 37 HA ASN 37 1.697 -8.897 -5.507
198 1HB ASN 37 1HB ASN 37 3.042 -7.418 -3.343
199 2HB ASN 37 2HB ASN 37 1.333 -7.187 -3.246
200 1HD2 ASN 37 2HD2 ASN 37 0.065 -9.273 -3.849
201 2HD2 ASN 37 1HD2 ASN 37 0.432 -10.630 -2.829
202 H SER 38 H SER 38 0.386 -8.154 -7.163
203 HA SER 38 HA SER 38 -0.223 -5.692 -8.099
204 1HB SER 38 1HB SER 38 -1.756 -8.205 -7.865
205 2HB SER 38 2HB SER 38 -2.420 -6.825 -8.749
206 HG SER 38 HG SER 38 -0.845 -8.519 -9.841
207 H ASP 39 H ASP 39 -1.743 -7.185 -5.257
208 HA ASP 39 HA ASP 39 -3.846 -5.356 -4.707
209 1HB ASP 39 1HB ASP 39 -3.632 -7.581 -3.749
210 2HB ASP 39 2HB ASP 39 -2.118 -7.144 -2.950
211 H CYS 40 H CYS 40 -0.382 -5.076 -4.180
212 HA CYS 40 HA CYS 40 -0.611 -2.514 -2.689
213 1HB CYS 40 1HB CYS 40 1.486 -4.736 -2.604
214 2HB CYS 40 2HB CYS 40 1.778 -3.127 -1.959
215 H THR 41 H THR 41 0.559 -4.057 -5.650
216 HA THR 41 HA THR 41 2.698 -2.627 -6.299
217 HB THR 41 HB THR 41 0.393 -3.677 -7.913
218 HG1 THR 41 HG1 THR 41 2.590 -4.984 -8.343
219 1HG2 THR 41 1HG2 THR 41 1.454 -2.101 -9.442
220 2HG2 THR 41 2HG2 THR 41 3.024 -2.901 -9.169
221 3HG2 THR 41 3HG2 THR 41 1.649 -3.808 -9.894
222 H ALA 42 H ALA 42 -0.629 -1.493 -7.287
223 HA ALA 42 HA ALA 42 0.434 0.938 -8.389
224 1HB ALA 42 1HB ALA 42 -1.680 0.244 -9.211
225 2HB ALA 42 2HB ALA 42 -1.995 1.718 -8.267
226 3HB ALA 42 3HB ALA 42 -2.362 0.119 -7.583
227 H PHE 43 H PHE 43 -0.812 0.158 -5.145
228 HA PHE 43 HA PHE 43 -0.778 2.763 -4.013
229 1HB PHE 43 1HB PHE 43 -1.701 0.766 -2.868
230 2HB PHE 43 2HB PHE 43 -0.102 0.052 -2.809
231 HD1 PHE 43 HD1 PHE 43 -2.405 2.014 -0.922
232 HD2 PHE 43 HD2 PHE 43 1.744 1.145 -1.523
233 HE1 PHE 43 HE1 PHE 43 -1.906 2.740 1.405
234 HE2 PHE 43 HE2 PHE 43 2.277 2.004 0.712
235 HZ PHE 43 HZ PHE 43 0.462 2.734 2.214
236 H LEU 44 H LEU 44 1.899 0.308 -3.936
237 HA LEU 44 HA LEU 44 3.728 2.243 -3.054
238 1HB LEU 44 1HB LEU 44 4.326 -0.349 -4.515
239 2HB LEU 44 2HB LEU 44 5.435 0.581 -3.555
240 HG LEU 44 HG LEU 44 2.878 -0.677 -2.443
241 1HD1 LEU 44 1HD1 LEU 44 5.685 -1.727 -2.694
242 2HD1 LEU 44 2HD1 LEU 44 4.563 -2.321 -1.451
243 3HD1 LEU 44 3HD1 LEU 44 4.143 -2.451 -3.169
244 1HD2 LEU 44 1HD2 LEU 44 3.905 1.368 -1.181
245 2HD2 LEU 44 2HD2 LEU 44 3.528 -0.086 -0.316
246 3HD2 LEU 44 3HD2 LEU 44 5.210 0.248 -0.789
247 H SER 45 H SER 45 2.927 1.342 -6.322
248 HA SER 45 HA SER 45 4.930 2.650 -7.799
249 1HB SER 45 1HB SER 45 2.862 1.257 -8.518
250 2HB SER 45 2HB SER 45 2.016 2.799 -8.587
251 HG SER 45 HG SER 45 3.433 3.448 -10.190
252 H GLN 46 H GLN 46 2.043 4.024 -6.174
253 HA GLN 46 HA GLN 46 2.863 6.784 -6.669
254 1HB GLN 46 1HB GLN 46 0.739 5.591 -4.836
255 2HB GLN 46 2HB GLN 46 1.038 7.311 -5.050
256 1HG GLN 46 1HG GLN 46 0.851 6.762 -7.629
257 2HG GLN 46 2HG GLN 46 0.032 5.307 -7.089
258 1HE2 GLN 46 2HE2 GLN 46 -2.201 5.522 -6.833
259 2HE2 GLN 46 1HE2 GLN 46 -3.045 7.049 -6.692
260 H CYS 47 H CYS 47 2.700 4.899 -3.597
261 HA CYS 47 HA CYS 47 3.976 6.889 -2.144
262 1HB CYS 47 1HB CYS 47 2.589 4.717 -1.485
263 2HB CYS 47 2HB CYS 47 4.196 4.045 -1.176
264 H TYR 48 H TYR 48 5.651 4.627 -4.097
265 HA TYR 48 HA TYR 48 8.279 5.265 -2.801
266 1HB TYR 48 1HB TYR 48 7.232 2.620 -3.627
267 2HB TYR 48 2HB TYR 48 8.947 2.982 -3.660
268 HD1 TYR 48 HD1 TYR 48 6.258 2.009 -1.589
269 HD2 TYR 48 HD2 TYR 48 9.952 4.193 -1.507
270 HE1 TYR 48 HE1 TYR 48 6.589 1.394 0.783
271 HE2 TYR 48 HE2 TYR 48 10.165 3.815 0.894
272 HH TYR 48 HH TYR 48 9.266 2.816 2.739
273 H GLY 49 H GLY 49 6.556 4.232 -5.765
274 1HA GLY 49 1HA GLY 49 8.932 5.020 -7.398
275 2HA GLY 49 2HA GLY 49 7.267 5.242 -7.973
276 H GLY 50 H GLY 50 7.015 2.515 -6.164
277 1HA GLY 50 1HA GLY 50 6.572 0.783 -8.321
278 2HA GLY 50 2HA GLY 50 6.764 0.317 -6.613
279 H CYS 51 H CYS 51 9.136 0.455 -5.819
280 HA CYS 51 HA CYS 51 11.325 -0.145 -5.971
281 1HB CYS 51 1HB CYS 51 10.413 -1.995 -8.203
282 2HB CYS 51 2HB CYS 51 11.947 -2.066 -7.379
No H/Q in entry = 282
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 -7.100 -6.084 -3.335
2 H2 GLY 1 H2 GLY 1 -7.604 -7.640 -3.576
3 H3 GLY 1 H3 GLY 1 -8.698 -6.442 -3.282
4 1HA GLY 1 1HA GLY 1 -6.675 -7.363 -1.394
5 2HA GLY 1 2HA GLY 1 -8.398 -7.765 -1.305
6 H GLU 2 H GLU 2 -6.993 -6.527 0.744
7 HA GLU 2 HA GLU 2 -8.670 -4.478 1.462
8 1HB GLU 2 1HB GLU 2 -7.186 -4.124 3.387
9 2HB GLU 2 2HB GLU 2 -7.523 -5.868 3.071
10 1HG GLU 2 1HG GLU 2 -5.322 -5.729 1.634
11 2HG GLU 2 2HG GLU 2 -4.967 -4.276 2.621
12 H CYS 3 H CYS 3 -5.513 -4.238 -0.164
13 HA CYS 3 HA CYS 3 -5.315 -1.390 0.440
14 1HB CYS 3 1HB CYS 3 -3.341 -2.814 0.399
15 2HB CYS 3 2HB CYS 3 -3.629 -3.231 -1.286
16 H GLU 4 H GLU 4 -6.063 -3.465 -2.433
17 HA GLU 4 HA GLU 4 -6.807 -1.507 -4.310
18 1HB GLU 4 1HB GLU 4 -7.833 -4.234 -3.564
19 2HB GLU 4 2HB GLU 4 -8.889 -3.225 -4.504
20 1HG GLU 4 1HG GLU 4 -7.133 -3.029 -6.263
21 2HG GLU 4 2HG GLU 4 -6.138 -4.194 -5.367
22 H GLN 5 H GLN 5 -8.799 -2.860 -1.613
23 HA GLN 5 HA GLN 5 -11.014 -1.247 -2.306
24 1HB GLN 5 1HB GLN 5 -10.869 -3.468 -0.928
25 2HB GLN 5 2HB GLN 5 -10.605 -2.423 0.455
26 1HG GLN 5 1HG GLN 5 -12.967 -2.980 0.294
27 2HG GLN 5 2HG GLN 5 -12.793 -1.263 -0.059
28 1HE2 GLN 5 2HE2 GLN 5 -14.283 -0.704 -1.737
29 2HE2 GLN 5 1HE2 GLN 5 -14.481 -1.713 -3.165
30 H CYS 6 H CYS 6 -8.274 -0.540 -0.186
31 HA CYS 6 HA CYS 6 -9.493 1.741 1.131
32 1HB CYS 6 1HB CYS 6 -7.362 0.560 1.817
33 2HB CYS 6 2HB CYS 6 -6.553 1.384 0.478
34 H PHE 7 H PHE 7 -7.580 1.271 -1.866
35 HA PHE 7 HA PHE 7 -7.734 3.994 -2.729
36 1HB PHE 7 1HB PHE 7 -6.881 1.394 -3.846
37 2HB PHE 7 2HB PHE 7 -7.574 2.466 -5.048
38 HD1 PHE 7 HD1 PHE 7 -6.749 4.836 -5.268
39 HD2 PHE 7 HD2 PHE 7 -4.699 1.939 -2.794
40 HE1 PHE 7 HE1 PHE 7 -4.770 6.300 -5.181
41 HE2 PHE 7 HE2 PHE 7 -2.687 3.395 -2.838
42 HZ PHE 7 HZ PHE 7 -2.698 5.537 -4.003
43 H SER 8 H SER 8 -9.957 1.188 -3.296
44 HA SER 8 HA SER 8 -11.740 2.555 -5.027
45 1HB SER 8 1HB SER 8 -12.448 0.540 -2.852
46 2HB SER 8 2HB SER 8 -13.498 1.052 -4.173
47 HG SER 8 HG SER 8 -12.635 -0.714 -4.969
48 H ASP 9 H ASP 9 -11.423 2.624 -1.441
49 HA ASP 9 HA ASP 9 -13.669 4.496 -1.185
50 1HB ASP 9 1HB ASP 9 -13.008 2.543 0.392
51 2HB ASP 9 2HB ASP 9 -11.720 3.589 0.951
52 H GLY 10 H GLY 10 -11.283 5.311 -2.776
53 1HA GLY 10 1HA GLY 10 -11.373 8.028 -1.832
54 2HA GLY 10 2HA GLY 10 -10.589 7.412 -3.284
55 H GLY 11 H GLY 11 -9.050 5.564 -1.011
56 1HA GLY 11 1HA GLY 11 -7.206 5.852 0.324
57 2HA GLY 11 2HA GLY 11 -7.511 7.604 0.280
58 H ASP 12 H ASP 12 -5.052 7.496 0.289
59 HA ASP 12 HA ASP 12 -3.969 7.365 -2.515
60 1HB ASP 12 1HB ASP 12 -2.397 9.266 -1.721
61 2HB ASP 12 2HB ASP 12 -4.041 9.650 -2.174
62 H CYS 13 H CYS 13 -2.036 8.247 0.276
63 HA CYS 13 HA CYS 13 -0.729 5.591 0.439
64 1HB CYS 13 1HB CYS 13 0.588 8.245 -0.152
65 2HB CYS 13 2HB CYS 13 1.450 6.919 0.614
66 H THR 14 H THR 14 -1.413 8.821 1.870
67 HA THR 14 HA THR 14 -0.325 8.137 4.480
68 HB THR 14 HB THR 14 -2.458 10.206 3.763
69 HG1 THR 14 HG1 THR 14 -1.019 11.328 2.891
70 1HG2 THR 14 1HG2 THR 14 -0.434 10.004 6.050
71 2HG2 THR 14 2HG2 THR 14 -1.499 11.400 5.723
72 3HG2 THR 14 3HG2 THR 14 -2.196 9.838 6.171
73 H THR 15 H THR 15 -3.628 8.499 3.143
74 HA THR 15 HA THR 15 -4.805 7.618 5.561
75 HB THR 15 HB THR 15 -5.287 9.484 3.920
76 HG1 THR 15 HG1 THR 15 -7.465 9.419 4.062
77 1HG2 THR 15 1HG2 THR 15 -5.163 8.207 1.834
78 2HG2 THR 15 2HG2 THR 15 -6.663 7.350 2.283
79 3HG2 THR 15 3HG2 THR 15 -6.672 9.094 1.971
80 H CYS 16 H CYS 16 -3.322 5.510 4.270
81 HA CYS 16 HA CYS 16 -5.239 3.238 4.347
82 1HB CYS 16 1HB CYS 16 -3.310 3.826 2.050
83 2HB CYS 16 2HB CYS 16 -4.107 2.281 2.281
84 H PHE 17 H PHE 17 -2.510 4.708 5.559
85 HA PHE 17 HA PHE 17 -1.028 2.158 5.835
86 1HB PHE 17 1HB PHE 17 0.157 4.062 4.825
87 2HB PHE 17 2HB PHE 17 -0.144 5.031 6.286
88 HD1 PHE 17 HD1 PHE 17 1.038 1.549 5.600
89 HD2 PHE 17 HD2 PHE 17 1.865 5.275 7.560
90 HE1 PHE 17 HE1 PHE 17 2.974 0.493 6.752
91 HE2 PHE 17 HE2 PHE 17 3.800 4.231 8.698
92 HZ PHE 17 HZ PHE 17 4.372 1.799 8.220
93 H ASN 18 H ASN 18 -2.719 4.680 7.664
94 HA ASN 18 HA ASN 18 -3.226 4.987 9.829
95 1HB ASN 18 1HB ASN 18 -4.443 2.790 9.264
96 2HB ASN 18 2HB ASN 18 -3.042 2.015 10.043
97 1HD2 ASN 18 2HD2 ASN 18 -4.538 1.061 11.600
98 2HD2 ASN 18 1HD2 ASN 18 -5.005 1.989 12.995
99 H ASN 19 H ASN 19 -0.492 5.128 9.247
100 HA ASN 19 HA ASN 19 1.566 4.683 9.722
101 1HB ASN 19 1HB ASN 19 0.874 6.543 11.241
102 2HB ASN 19 2HB ASN 19 0.973 5.367 12.576
103 1HD2 ASN 19 2HD2 ASN 19 3.041 5.094 13.432
104 2HD2 ASN 19 1HD2 ASN 19 4.536 5.574 12.662
105 H GLY 20 H GLY 20 0.739 2.323 9.291
106 1HA GLY 20 1HA GLY 20 2.618 0.762 10.878
107 2HA GLY 20 2HA GLY 20 2.115 0.486 9.232
108 H THR 21 H THR 21 -0.764 1.019 10.578
109 HA THR 21 HA THR 21 -1.322 -1.830 11.044
110 HB THR 21 HB THR 21 -0.887 -1.232 13.174
111 HG1 THR 21 HG1 THR 21 -2.805 -2.295 13.122
112 1HG2 THR 21 1HG2 THR 21 -2.371 1.276 12.587
113 2HG2 THR 21 2HG2 THR 21 -1.990 0.765 14.253
114 3HG2 THR 21 3HG2 THR 21 -0.681 1.067 13.084
115 H GLY 22 H GLY 22 -1.679 -0.563 8.659
116 1HA GLY 22 1HA GLY 22 -3.284 0.915 7.522
117 2HA GLY 22 2HA GLY 22 -4.577 0.121 8.440
118 HA PRO 23 HA PRO 23 -5.052 -2.892 5.333
119 1HB PRO 23 1HB PRO 23 -5.846 -1.701 2.976
120 2HB PRO 23 2HB PRO 23 -6.885 -1.861 4.414
121 1HG PRO 23 1HG PRO 23 -5.283 0.543 3.525
122 2HG PRO 23 2HG PRO 23 -6.957 0.491 4.136
123 1HD PRO 23 1HD PRO 23 -4.905 1.172 5.777
124 2HD PRO 23 2HD PRO 23 -6.264 0.237 6.337
125 H CYS 24 H CYS 24 -3.274 -0.142 3.815
126 HA CYS 24 HA CYS 24 -1.441 -2.119 2.543
127 1HB CYS 24 1HB CYS 24 -2.610 0.200 1.424
128 2HB CYS 24 2HB CYS 24 -0.931 0.616 1.740
129 H ALA 25 H ALA 25 -0.531 -2.602 4.586
130 HA ALA 25 HA ALA 25 1.199 -0.460 5.722
131 1HB ALA 25 1HB ALA 25 -0.297 -2.544 7.329
132 2HB ALA 25 2HB ALA 25 -0.561 -0.777 7.307
133 3HB ALA 25 3HB ALA 25 0.951 -1.452 7.951
134 H ASN 26 H ASN 26 0.828 -4.031 5.536
135 HA ASN 26 HA ASN 26 3.574 -4.386 6.277
136 1HB ASN 26 1HB ASN 26 3.374 -6.697 5.766
137 2HB ASN 26 2HB ASN 26 1.933 -6.177 6.619
138 1HD2 ASN 26 2HD2 ASN 26 -0.131 -6.089 5.441
139 2HD2 ASN 26 1HD2 ASN 26 -0.289 -6.758 3.858
140 H CYS 27 H CYS 27 1.996 -3.739 3.265
141 HA CYS 27 HA CYS 27 4.182 -4.245 1.453
142 1HB CYS 27 1HB CYS 27 1.875 -2.359 1.075
143 2HB CYS 27 2HB CYS 27 3.050 -2.896 -0.089
144 H LEU 28 H LEU 28 4.196 -1.843 4.063
145 HA LEU 28 HA LEU 28 6.192 -0.311 2.557
146 1HB LEU 28 1HB LEU 28 4.799 0.040 5.240
147 2HB LEU 28 2HB LEU 28 5.985 1.130 4.595
148 HG LEU 28 HG LEU 28 3.671 1.808 4.435
149 1HD1 LEU 28 1HD1 LEU 28 5.611 2.472 2.770
150 2HD1 LEU 28 2HD1 LEU 28 4.586 1.621 1.599
151 3HD1 LEU 28 3HD1 LEU 28 3.942 3.033 2.456
152 1HD2 LEU 28 1HD2 LEU 28 2.612 -0.312 3.774
153 2HD2 LEU 28 2HD2 LEU 28 2.079 1.118 2.905
154 3HD2 LEU 28 3HD2 LEU 28 3.216 -0.004 2.100
155 H ALA 29 H ALA 29 5.812 -1.561 5.901
156 HA ALA 29 HA ALA 29 8.599 -1.310 6.444
157 1HB ALA 29 1HB ALA 29 7.982 -2.185 8.659
158 2HB ALA 29 2HB ALA 29 6.863 -0.927 8.134
159 3HB ALA 29 3HB ALA 29 6.383 -2.631 8.053
160 H GLY 30 H GLY 30 7.134 -3.750 4.674
161 1HA GLY 30 1HA GLY 30 8.221 -6.178 5.274
162 2HA GLY 30 2HA GLY 30 9.618 -5.224 4.740
163 H TYR 31 H TYR 31 9.322 -4.007 2.552
164 HA TYR 31 HA TYR 31 7.347 -5.504 0.820
165 1HB TYR 31 1HB TYR 31 6.581 -3.565 0.149
166 2HB TYR 31 2HB TYR 31 7.122 -2.954 1.703
167 HD1 TYR 31 HD1 TYR 31 10.173 -2.906 0.798
168 HD2 TYR 31 HD2 TYR 31 6.497 -1.503 -0.834
169 HE1 TYR 31 HE1 TYR 31 11.425 -1.323 -0.653
170 HE2 TYR 31 HE2 TYR 31 7.671 0.196 -2.209
171 HH TYR 31 HH TYR 31 11.306 0.250 -2.342
172 HA PRO 32 HA PRO 32 11.557 -5.404 -1.240
173 1HB PRO 32 1HB PRO 32 12.343 -8.063 -1.103
174 2HB PRO 32 2HB PRO 32 12.869 -6.767 0.008
175 1HG PRO 32 1HG PRO 32 10.778 -8.891 0.433
176 2HG PRO 32 2HG PRO 32 11.903 -8.134 1.616
177 1HD PRO 32 1HD PRO 32 9.259 -7.434 1.411
178 2HD PRO 32 2HD PRO 32 10.566 -6.339 1.960
179 H ALA 33 H ALA 33 8.909 -7.644 -1.285
180 HA ALA 33 HA ALA 33 9.101 -8.155 -4.201
181 1HB ALA 33 1HB ALA 33 7.675 -10.047 -3.680
182 2HB ALA 33 2HB ALA 33 9.073 -10.061 -2.596
183 3HB ALA 33 3HB ALA 33 7.497 -9.478 -1.994
184 H GLY 34 H GLY 34 7.661 -5.805 -2.315
185 1HA GLY 34 1HA GLY 34 5.641 -4.673 -2.313
186 2HA GLY 34 2HA GLY 34 4.906 -6.250 -2.597
187 H CYS 35 H CYS 35 7.116 -4.702 -4.925
188 HA CYS 35 HA CYS 35 5.246 -3.670 -6.722
189 1HB CYS 35 1HB CYS 35 7.821 -5.134 -7.444
190 2HB CYS 35 2HB CYS 35 6.958 -3.982 -8.440
191 H SER 36 H SER 36 5.953 -7.186 -6.151
192 HA SER 36 HA SER 36 4.601 -7.869 -8.617
193 1HB SER 36 1HB SER 36 5.476 -9.933 -8.276
194 2HB SER 36 2HB SER 36 6.725 -8.867 -7.647
195 HG SER 36 HG SER 36 6.226 -10.778 -6.455
196 H ASN 37 H ASN 37 3.850 -7.165 -5.391
197 HA ASN 37 HA ASN 37 1.406 -8.843 -5.324
198 1HB ASN 37 1HB ASN 37 2.953 -7.431 -3.244
199 2HB ASN 37 2HB ASN 37 1.251 -7.006 -3.182
200 1HD2 ASN 37 2HD2 ASN 37 -0.204 -8.416 -2.269
201 2HD2 ASN 37 1HD2 ASN 37 0.052 -10.140 -2.203
202 H SER 38 H SER 38 0.346 -8.066 -7.186
203 HA SER 38 HA SER 38 0.029 -5.478 -7.993
204 1HB SER 38 1HB SER 38 -1.024 -7.964 -8.728
205 2HB SER 38 2HB SER 38 -2.429 -6.927 -8.467
206 HG SER 38 HG SER 38 -1.945 -5.873 -10.134
207 H ASP 39 H ASP 39 -1.955 -7.031 -5.411
208 HA ASP 39 HA ASP 39 -3.873 -5.015 -5.057
209 1HB ASP 39 1HB ASP 39 -3.917 -7.206 -3.946
210 2HB ASP 39 2HB ASP 39 -2.568 -6.759 -2.916
211 H CYS 40 H CYS 40 -0.484 -5.008 -4.170
212 HA CYS 40 HA CYS 40 -0.746 -2.510 -2.563
213 1HB CYS 40 1HB CYS 40 1.356 -4.731 -2.638
214 2HB CYS 40 2HB CYS 40 1.686 -3.165 -1.894
215 H THR 41 H THR 41 0.293 -3.816 -5.640
216 HA THR 41 HA THR 41 2.552 -2.297 -6.135
217 HB THR 41 HB THR 41 0.412 -3.424 -7.946
218 HG1 THR 41 HG1 THR 41 1.966 -4.675 -6.414
219 1HG2 THR 41 1HG2 THR 41 1.816 -1.810 -9.233
220 2HG2 THR 41 2HG2 THR 41 3.249 -2.772 -8.774
221 3HG2 THR 41 3HG2 THR 41 1.917 -3.525 -9.711
222 H ALA 42 H ALA 42 -0.843 -1.354 -7.206
223 HA ALA 42 HA ALA 42 0.115 1.067 -8.364
224 1HB ALA 42 1HB ALA 42 -2.150 -0.004 -8.806
225 2HB ALA 42 2HB ALA 42 -2.694 0.579 -7.218
226 3HB ALA 42 3HB ALA 42 -2.221 1.733 -8.480
227 H PHE 43 H PHE 43 -1.022 0.407 -5.043
228 HA PHE 43 HA PHE 43 -0.802 3.056 -3.991
229 1HB PHE 43 1HB PHE 43 -1.859 1.274 -2.710
230 2HB PHE 43 2HB PHE 43 -0.389 0.317 -2.749
231 HD1 PHE 43 HD1 PHE 43 -2.138 2.955 -0.841
232 HD2 PHE 43 HD2 PHE 43 1.538 0.791 -1.440
233 HE1 PHE 43 HE1 PHE 43 -1.309 3.701 1.355
234 HE2 PHE 43 HE2 PHE 43 2.389 1.643 0.700
235 HZ PHE 43 HZ PHE 43 0.961 3.086 2.132
236 H LEU 44 H LEU 44 1.690 0.377 -3.793
237 HA LEU 44 HA LEU 44 3.657 2.084 -2.931
238 1HB LEU 44 1HB LEU 44 4.028 -0.441 -4.619
239 2HB LEU 44 2HB LEU 44 5.270 0.354 -3.668
240 HG LEU 44 HG LEU 44 2.766 -0.850 -2.460
241 1HD1 LEU 44 1HD1 LEU 44 5.567 -1.922 -2.837
242 2HD1 LEU 44 2HD1 LEU 44 4.366 -2.642 -1.742
243 3HD1 LEU 44 3HD1 LEU 44 4.069 -2.571 -3.496
244 1HD2 LEU 44 1HD2 LEU 44 3.745 1.059 -1.157
245 2HD2 LEU 44 2HD2 LEU 44 3.690 -0.472 -0.363
246 3HD2 LEU 44 3HD2 LEU 44 5.233 0.127 -1.036
247 H SER 45 H SER 45 2.803 1.455 -6.316
248 HA SER 45 HA SER 45 4.873 2.762 -7.641
249 1HB SER 45 1HB SER 45 1.946 2.122 -8.040
250 2HB SER 45 2HB SER 45 2.714 3.110 -9.227
251 HG SER 45 HG SER 45 3.285 1.357 -10.032
252 H GLN 46 H GLN 46 1.880 4.110 -6.067
253 HA GLN 46 HA GLN 46 2.619 6.845 -6.698
254 1HB GLN 46 1HB GLN 46 0.625 5.773 -4.648
255 2HB GLN 46 2HB GLN 46 0.928 7.471 -4.995
256 1HG GLN 46 1HG GLN 46 0.400 6.900 -7.461
257 2HG GLN 46 2HG GLN 46 -0.251 5.382 -6.838
258 1HE2 GLN 46 2HE2 GLN 46 -2.491 5.559 -7.003
259 2HE2 GLN 46 1HE2 GLN 46 -3.379 7.001 -6.588
260 H CYS 47 H CYS 47 2.886 4.832 -3.687
261 HA CYS 47 HA CYS 47 3.979 7.066 -2.306
262 1HB CYS 47 1HB CYS 47 4.400 4.309 -1.181
263 2HB CYS 47 2HB CYS 47 3.995 5.842 -0.400
264 H TYR 48 H TYR 48 5.642 4.059 -3.375
265 HA TYR 48 HA TYR 48 8.309 5.107 -2.683
266 1HB TYR 48 1HB TYR 48 7.322 2.440 -3.617
267 2HB TYR 48 2HB TYR 48 9.017 2.895 -3.612
268 HD1 TYR 48 HD1 TYR 48 6.072 2.294 -1.465
269 HD2 TYR 48 HD2 TYR 48 10.298 3.087 -1.601
270 HE1 TYR 48 HE1 TYR 48 6.359 1.321 0.778
271 HE2 TYR 48 HE2 TYR 48 10.550 2.296 0.732
272 HH TYR 48 HH TYR 48 9.386 0.816 2.334
273 H GLY 49 H GLY 49 6.586 3.818 -5.574
274 1HA GLY 49 1HA GLY 49 8.702 5.041 -7.312
275 2HA GLY 49 2HA GLY 49 7.009 5.086 -7.745
276 H GLY 50 H GLY 50 7.563 2.116 -6.213
277 1HA GLY 50 1HA GLY 50 7.612 0.675 -8.764
278 2HA GLY 50 2HA GLY 50 7.379 0.003 -7.164
279 H CYS 51 H CYS 51 9.108 -0.535 -5.953
280 HA CYS 51 HA CYS 51 11.724 -0.250 -5.860
281 1HB CYS 51 1HB CYS 51 11.795 -2.488 -4.937
282 2HB CYS 51 2HB CYS 51 10.394 -1.629 -4.383
No H/Q in entry = 282
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 -8.159 -6.140 -3.614
2 H2 GLY 1 H2 GLY 1 -6.531 -6.130 -3.318
3 H3 GLY 1 H3 GLY 1 -7.263 -7.510 -3.836
4 1HA GLY 1 1HA GLY 1 -6.745 -7.586 -1.507
5 2HA GLY 1 2HA GLY 1 -8.489 -7.676 -1.786
6 H GLU 2 H GLU 2 -7.130 -6.716 0.640
7 HA GLU 2 HA GLU 2 -8.960 -4.644 1.123
8 1HB GLU 2 1HB GLU 2 -7.792 -4.318 3.280
9 2HB GLU 2 2HB GLU 2 -8.378 -5.960 2.926
10 1HG GLU 2 1HG GLU 2 -6.027 -6.451 2.091
11 2HG GLU 2 2HG GLU 2 -5.508 -4.943 2.826
12 H CYS 3 H CYS 3 -5.599 -4.407 -0.004
13 HA CYS 3 HA CYS 3 -5.460 -1.585 0.708
14 1HB CYS 3 1HB CYS 3 -3.407 -2.809 0.611
15 2HB CYS 3 2HB CYS 3 -3.689 -3.297 -1.060
16 H GLU 4 H GLU 4 -6.047 -3.429 -2.329
17 HA GLU 4 HA GLU 4 -6.639 -1.211 -4.008
18 1HB GLU 4 1HB GLU 4 -7.966 -3.953 -4.040
19 2HB GLU 4 2HB GLU 4 -7.956 -2.774 -5.349
20 1HG GLU 4 1HG GLU 4 -5.546 -3.032 -5.635
21 2HG GLU 4 2HG GLU 4 -5.512 -4.144 -4.253
22 H GLN 5 H GLN 5 -8.623 -2.824 -1.533
23 HA GLN 5 HA GLN 5 -11.080 -1.499 -2.328
24 1HB GLN 5 1HB GLN 5 -11.120 -3.656 -1.149
25 2HB GLN 5 2HB GLN 5 -10.349 -2.914 0.261
26 1HG GLN 5 1HG GLN 5 -12.779 -3.209 0.553
27 2HG GLN 5 2HG GLN 5 -12.288 -1.524 0.675
28 1HE2 GLN 5 2HE2 GLN 5 -13.599 -3.899 -1.784
29 2HE2 GLN 5 1HE2 GLN 5 -14.430 -2.650 -2.693
30 H CYS 6 H CYS 6 -8.439 -0.817 -0.033
31 HA CYS 6 HA CYS 6 -9.625 1.504 1.131
32 1HB CYS 6 1HB CYS 6 -7.502 0.110 1.740
33 2HB CYS 6 2HB CYS 6 -6.654 1.192 0.642
34 H PHE 7 H PHE 7 -7.614 1.049 -1.816
35 HA PHE 7 HA PHE 7 -7.728 3.781 -2.678
36 1HB PHE 7 1HB PHE 7 -6.937 1.177 -3.824
37 2HB PHE 7 2HB PHE 7 -7.653 2.250 -4.995
38 HD1 PHE 7 HD1 PHE 7 -6.636 4.470 -5.519
39 HD2 PHE 7 HD2 PHE 7 -4.756 1.756 -2.734
40 HE1 PHE 7 HE1 PHE 7 -4.565 5.802 -5.641
41 HE2 PHE 7 HE2 PHE 7 -2.680 3.095 -2.899
42 HZ PHE 7 HZ PHE 7 -2.538 5.102 -4.316
43 H SER 8 H SER 8 -10.031 1.048 -3.282
44 HA SER 8 HA SER 8 -11.933 2.652 -4.725
45 1HB SER 8 1HB SER 8 -12.081 0.044 -3.209
46 2HB SER 8 2HB SER 8 -13.508 0.782 -3.926
47 HG SER 8 HG SER 8 -12.995 0.101 -5.732
48 H ASP 9 H ASP 9 -10.946 3.138 -1.547
49 HA ASP 9 HA ASP 9 -13.517 4.534 -0.943
50 1HB ASP 9 1HB ASP 9 -12.676 2.439 0.493
51 2HB ASP 9 2HB ASP 9 -11.614 3.627 1.217
52 H GLY 10 H GLY 10 -11.303 5.383 -2.585
53 1HA GLY 10 1HA GLY 10 -11.004 8.021 -1.482
54 2HA GLY 10 2HA GLY 10 -10.425 7.427 -3.049
55 H GLY 11 H GLY 11 -9.085 5.265 -1.018
56 1HA GLY 11 1HA GLY 11 -7.029 4.863 -0.295
57 2HA GLY 11 2HA GLY 11 -7.118 6.448 0.500
58 H ASP 12 H ASP 12 -4.909 6.987 0.182
59 HA ASP 12 HA ASP 12 -3.899 7.054 -2.627
60 1HB ASP 12 1HB ASP 12 -2.564 9.112 -1.856
61 2HB ASP 12 2HB ASP 12 -4.242 9.269 -2.308
62 H CYS 13 H CYS 13 -2.160 8.049 0.245
63 HA CYS 13 HA CYS 13 -0.515 5.586 0.299
64 1HB CYS 13 1HB CYS 13 0.532 8.390 -0.239
65 2HB CYS 13 2HB CYS 13 1.525 7.117 0.456
66 H THR 14 H THR 14 -0.968 8.910 1.611
67 HA THR 14 HA THR 14 -0.278 8.258 4.322
68 HB THR 14 HB THR 14 -1.918 10.450 3.000
69 HG1 THR 14 HG1 THR 14 0.747 10.091 3.803
70 1HG2 THR 14 1HG2 THR 14 -0.966 10.248 5.876
71 2HG2 THR 14 2HG2 THR 14 -1.389 11.780 5.074
72 3HG2 THR 14 3HG2 THR 14 -2.620 10.546 5.258
73 H THR 15 H THR 15 -3.546 8.490 2.633
74 HA THR 15 HA THR 15 -4.657 7.851 5.231
75 HB THR 15 HB THR 15 -5.198 9.628 3.440
76 HG1 THR 15 HG1 THR 15 -7.534 9.324 4.152
77 1HG2 THR 15 1HG2 THR 15 -5.710 7.886 1.639
78 2HG2 THR 15 2HG2 THR 15 -7.269 7.667 2.461
79 3HG2 THR 15 3HG2 THR 15 -6.808 9.250 1.816
80 H CYS 16 H CYS 16 -3.296 5.637 4.035
81 HA CYS 16 HA CYS 16 -5.187 3.415 4.510
82 1HB CYS 16 1HB CYS 16 -3.808 3.873 1.841
83 2HB CYS 16 2HB CYS 16 -4.375 2.287 2.343
84 H PHE 17 H PHE 17 -2.158 4.868 5.012
85 HA PHE 17 HA PHE 17 -0.847 2.249 5.469
86 1HB PHE 17 1HB PHE 17 0.513 4.145 4.627
87 2HB PHE 17 2HB PHE 17 0.086 5.090 6.052
88 HD1 PHE 17 HD1 PHE 17 1.987 5.263 7.524
89 HD2 PHE 17 HD2 PHE 17 1.197 1.535 5.516
90 HE1 PHE 17 HE1 PHE 17 3.948 4.226 8.625
91 HE2 PHE 17 HE2 PHE 17 3.087 0.468 6.733
92 HZ PHE 17 HZ PHE 17 4.486 1.832 8.231
93 H ASN 18 H ASN 18 -2.606 4.838 7.145
94 HA ASN 18 HA ASN 18 -3.199 5.286 9.216
95 1HB ASN 18 1HB ASN 18 -4.110 2.807 8.700
96 2HB ASN 18 2HB ASN 18 -3.126 2.484 10.130
97 1HD2 ASN 18 2HD2 ASN 18 -6.189 3.091 9.144
98 2HD2 ASN 18 1HD2 ASN 18 -6.832 3.849 10.576
99 H ASN 19 H ASN 19 -0.138 4.271 8.710
100 HA ASN 19 HA ASN 19 1.779 4.542 9.830
101 1HB ASN 19 1HB ASN 19 0.663 6.215 11.280
102 2HB ASN 19 2HB ASN 19 0.522 4.942 12.516
103 1HD2 ASN 19 2HD2 ASN 19 2.376 4.736 13.853
104 2HD2 ASN 19 1HD2 ASN 19 3.834 5.664 13.486
105 H GLY 20 H GLY 20 1.581 2.392 8.920
106 1HA GLY 20 1HA GLY 20 2.624 0.510 10.698
107 2HA GLY 20 2HA GLY 20 2.196 0.219 9.025
108 H THR 21 H THR 21 -0.658 1.181 10.001
109 HA THR 21 HA THR 21 -1.607 -1.403 11.142
110 HB THR 21 HB THR 21 -3.039 0.248 12.573
111 HG1 THR 21 HG1 THR 21 -0.721 1.846 12.173
112 1HG2 THR 21 1HG2 THR 21 -1.224 -1.283 13.389
113 2HG2 THR 21 2HG2 THR 21 -0.054 0.021 13.164
114 3HG2 THR 21 3HG2 THR 21 -1.380 0.216 14.329
115 H GLY 22 H GLY 22 -1.930 0.608 8.505
116 1HA GLY 22 1HA GLY 22 -3.705 1.150 7.112
117 2HA GLY 22 2HA GLY 22 -4.840 0.286 8.166
118 HA PRO 23 HA PRO 23 -4.696 -3.143 5.537
119 1HB PRO 23 1HB PRO 23 -5.765 -2.520 3.085
120 2HB PRO 23 2HB PRO 23 -6.714 -2.578 4.597
121 1HG PRO 23 1HG PRO 23 -5.585 -0.172 3.166
122 2HG PRO 23 2HG PRO 23 -7.184 -0.356 3.959
123 1HD PRO 23 1HD PRO 23 -5.007 0.891 5.100
124 2HD PRO 23 2HD PRO 23 -6.282 0.178 6.041
125 H CYS 24 H CYS 24 -3.142 -0.338 3.908
126 HA CYS 24 HA CYS 24 -1.325 -2.217 2.474
127 1HB CYS 24 1HB CYS 24 -2.596 0.195 1.598
128 2HB CYS 24 2HB CYS 24 -0.900 0.570 1.794
129 H ALA 25 H ALA 25 -0.522 -2.730 4.669
130 HA ALA 25 HA ALA 25 1.281 -0.581 5.727
131 1HB ALA 25 1HB ALA 25 1.015 -1.636 7.936
132 2HB ALA 25 2HB ALA 25 -0.272 -2.658 7.257
133 3HB ALA 25 3HB ALA 25 -0.460 -0.878 7.293
134 H ASN 26 H ASN 26 1.021 -4.204 5.508
135 HA ASN 26 HA ASN 26 3.836 -4.420 6.189
136 1HB ASN 26 1HB ASN 26 2.035 -6.443 4.767
137 2HB ASN 26 2HB ASN 26 3.691 -6.733 5.289
138 1HD2 ASN 26 2HD2 ASN 26 0.363 -6.535 6.423
139 2HD2 ASN 26 1HD2 ASN 26 0.692 -6.849 8.097
140 H CYS 27 H CYS 27 2.033 -3.851 3.246
141 HA CYS 27 HA CYS 27 4.020 -4.147 1.276
142 1HB CYS 27 1HB CYS 27 1.738 -2.163 1.217
143 2HB CYS 27 2HB CYS 27 2.754 -2.716 -0.082
144 H LEU 28 H LEU 28 4.268 -1.832 3.987
145 HA LEU 28 HA LEU 28 6.121 -0.206 2.438
146 1HB LEU 28 1HB LEU 28 4.916 -0.164 5.237
147 2HB LEU 28 2HB LEU 28 6.161 0.959 4.724
148 HG LEU 28 HG LEU 28 3.896 1.807 4.582
149 1HD1 LEU 28 1HD1 LEU 28 5.866 2.537 3.054
150 2HD1 LEU 28 2HD1 LEU 28 5.003 1.612 1.816
151 3HD1 LEU 28 3HD1 LEU 28 4.224 3.026 2.542
152 1HD2 LEU 28 1HD2 LEU 28 2.730 -0.246 3.732
153 2HD2 LEU 28 2HD2 LEU 28 2.286 1.277 2.980
154 3HD2 LEU 28 3HD2 LEU 28 3.379 0.174 2.109
155 H ALA 29 H ALA 29 6.252 -1.951 5.583
156 HA ALA 29 HA ALA 29 9.080 -1.484 5.808
157 1HB ALA 29 1HB ALA 29 8.890 -2.917 7.819
158 2HB ALA 29 2HB ALA 29 7.685 -1.612 7.792
159 3HB ALA 29 3HB ALA 29 7.203 -3.277 7.401
160 H GLY 30 H GLY 30 7.414 -4.697 5.830
161 1HA GLY 30 1HA GLY 30 8.320 -6.731 5.158
162 2HA GLY 30 2HA GLY 30 9.753 -5.897 4.510
163 H TYR 31 H TYR 31 9.266 -4.367 2.563
164 HA TYR 31 HA TYR 31 7.167 -5.671 0.839
165 1HB TYR 31 1HB TYR 31 6.567 -3.680 0.108
166 2HB TYR 31 2HB TYR 31 6.987 -3.143 1.730
167 HD1 TYR 31 HD1 TYR 31 10.127 -3.246 1.062
168 HD2 TYR 31 HD2 TYR 31 6.697 -1.575 -0.839
169 HE1 TYR 31 HE1 TYR 31 11.559 -1.485 0.030
170 HE2 TYR 31 HE2 TYR 31 8.068 0.150 -1.977
171 HH TYR 31 HH TYR 31 10.299 1.170 -1.802
172 HA PRO 32 HA PRO 32 11.243 -5.564 -1.371
173 1HB PRO 32 1HB PRO 32 12.262 -8.154 -1.237
174 2HB PRO 32 2HB PRO 32 12.650 -6.862 -0.060
175 1HG PRO 32 1HG PRO 32 10.566 -9.056 0.197
176 2HG PRO 32 2HG PRO 32 11.749 -8.485 1.409
177 1HD PRO 32 1HD PRO 32 9.162 -7.598 1.432
178 2HD PRO 32 2HD PRO 32 10.533 -6.541 1.880
179 H ALA 33 H ALA 33 9.091 -8.320 -1.005
180 HA ALA 33 HA ALA 33 8.696 -8.752 -3.911
181 1HB ALA 33 1HB ALA 33 7.193 -10.542 -3.115
182 2HB ALA 33 2HB ALA 33 8.755 -10.654 -2.266
183 3HB ALA 33 3HB ALA 33 7.354 -9.952 -1.441
184 H GLY 34 H GLY 34 7.473 -6.677 -1.429
185 1HA GLY 34 1HA GLY 34 5.372 -5.695 -1.026
186 2HA GLY 34 2HA GLY 34 4.671 -7.005 -1.981
187 H CYS 35 H CYS 35 7.099 -4.782 -3.402
188 HA CYS 35 HA CYS 35 5.315 -3.176 -4.873
189 1HB CYS 35 1HB CYS 35 8.075 -4.232 -5.498
190 2HB CYS 35 2HB CYS 35 7.308 -2.902 -6.331
191 H SER 36 H SER 36 6.109 -6.656 -5.435
192 HA SER 36 HA SER 36 5.383 -6.425 -8.193
193 1HB SER 36 1HB SER 36 5.934 -8.721 -8.264
194 2HB SER 36 2HB SER 36 7.133 -7.909 -7.268
195 HG SER 36 HG SER 36 5.956 -8.706 -5.409
196 H ASN 37 H ASN 37 3.831 -6.821 -5.219
197 HA ASN 37 HA ASN 37 1.669 -8.630 -5.933
198 1HB ASN 37 1HB ASN 37 2.699 -7.275 -3.492
199 2HB ASN 37 2HB ASN 37 0.977 -7.177 -3.549
200 1HD2 ASN 37 2HD2 ASN 37 -0.023 -8.880 -2.386
201 2HD2 ASN 37 1HD2 ASN 37 0.435 -10.522 -2.717
202 H SER 38 H SER 38 0.096 -7.850 -7.490
203 HA SER 38 HA SER 38 -0.216 -5.125 -8.029
204 1HB SER 38 1HB SER 38 -0.836 -6.939 -9.547
205 2HB SER 38 2HB SER 38 -2.293 -7.233 -8.583
206 HG SER 38 HG SER 38 -2.882 -5.063 -9.028
207 H ASP 39 H ASP 39 -1.735 -7.018 -5.487
208 HA ASP 39 HA ASP 39 -3.927 -5.413 -4.771
209 1HB ASP 39 1HB ASP 39 -3.455 -7.600 -3.804
210 2HB ASP 39 2HB ASP 39 -1.988 -6.978 -3.049
211 H CYS 40 H CYS 40 -0.510 -4.839 -4.371
212 HA CYS 40 HA CYS 40 -0.932 -2.394 -2.728
213 1HB CYS 40 1HB CYS 40 1.198 -4.573 -2.678
214 2HB CYS 40 2HB CYS 40 1.545 -2.961 -2.044
215 H THR 41 H THR 41 -0.319 -3.301 -5.885
216 HA THR 41 HA THR 41 2.137 -1.927 -6.357
217 HB THR 41 HB THR 41 -0.076 -3.154 -7.980
218 HG1 THR 41 HG1 THR 41 2.164 -3.961 -6.888
219 1HG2 THR 41 1HG2 THR 41 2.297 -1.828 -9.303
220 2HG2 THR 41 2HG2 THR 41 1.146 -2.984 -10.026
221 3HG2 THR 41 3HG2 THR 41 0.574 -1.395 -9.499
222 H ALA 42 H ALA 42 -1.311 -0.853 -6.864
223 HA ALA 42 HA ALA 42 -0.341 1.557 -8.189
224 1HB ALA 42 1HB ALA 42 -2.611 0.701 -8.569
225 2HB ALA 42 2HB ALA 42 -3.028 1.056 -6.868
226 3HB ALA 42 3HB ALA 42 -2.594 2.379 -7.984
227 H PHE 43 H PHE 43 -0.995 0.601 -4.874
228 HA PHE 43 HA PHE 43 -0.593 3.161 -3.630
229 1HB PHE 43 1HB PHE 43 -1.620 1.218 -2.475
230 2HB PHE 43 2HB PHE 43 -0.116 0.341 -2.574
231 HD1 PHE 43 HD1 PHE 43 1.860 1.063 -1.356
232 HD2 PHE 43 HD2 PHE 43 -1.985 2.790 -0.616
233 HE1 PHE 43 HE1 PHE 43 2.716 1.997 0.771
234 HE2 PHE 43 HE2 PHE 43 -1.180 3.634 1.575
235 HZ PHE 43 HZ PHE 43 1.204 3.256 2.251
236 H LEU 44 H LEU 44 1.829 0.404 -3.743
237 HA LEU 44 HA LEU 44 3.876 2.125 -3.069
238 1HB LEU 44 1HB LEU 44 4.166 -0.542 -4.555
239 2HB LEU 44 2HB LEU 44 5.404 0.315 -3.702
240 HG LEU 44 HG LEU 44 2.819 -0.671 -2.395
241 1HD1 LEU 44 1HD1 LEU 44 5.518 -1.978 -2.669
242 2HD1 LEU 44 2HD1 LEU 44 4.332 -2.471 -1.453
243 3HD1 LEU 44 3HD1 LEU 44 3.926 -2.569 -3.174
244 1HD2 LEU 44 1HD2 LEU 44 4.056 1.251 -1.208
245 2HD2 LEU 44 2HD2 LEU 44 3.711 -0.194 -0.309
246 3HD2 LEU 44 3HD2 LEU 44 5.342 0.057 -0.971
247 H SER 45 H SER 45 2.884 1.420 -6.338
248 HA SER 45 HA SER 45 4.862 2.646 -7.882
249 1HB SER 45 1HB SER 45 2.659 1.548 -8.678
250 2HB SER 45 2HB SER 45 1.840 3.031 -8.219
251 HG SER 45 HG SER 45 2.487 2.818 -10.464
252 H GLN 46 H GLN 46 2.199 4.166 -6.062
253 HA GLN 46 HA GLN 46 3.042 6.904 -6.676
254 1HB GLN 46 1HB GLN 46 0.803 5.559 -5.129
255 2HB GLN 46 2HB GLN 46 1.092 7.267 -4.877
256 1HG GLN 46 1HG GLN 46 0.920 7.748 -7.249
257 2HG GLN 46 2HG GLN 46 0.847 6.034 -7.658
258 1HE2 GLN 46 2HE2 GLN 46 -1.058 4.808 -6.542
259 2HE2 GLN 46 1HE2 GLN 46 -2.600 5.617 -6.718
260 H CYS 47 H CYS 47 2.758 5.075 -3.597
261 HA CYS 47 HA CYS 47 4.043 7.057 -2.174
262 1HB CYS 47 1HB CYS 47 4.169 4.238 -1.098
263 2HB CYS 47 2HB CYS 47 3.796 5.774 -0.306
264 H TYR 48 H TYR 48 5.613 4.204 -3.642
265 HA TYR 48 HA TYR 48 8.270 5.076 -2.585
266 1HB TYR 48 1HB TYR 48 7.420 2.508 -3.803
267 2HB TYR 48 2HB TYR 48 9.095 3.038 -3.732
268 HD1 TYR 48 HD1 TYR 48 6.162 2.130 -1.750
269 HD2 TYR 48 HD2 TYR 48 10.260 3.441 -1.562
270 HE1 TYR 48 HE1 TYR 48 6.368 1.199 0.506
271 HE2 TYR 48 HE2 TYR 48 10.411 2.662 0.780
272 HH TYR 48 HH TYR 48 8.429 0.396 2.113
273 H GLY 49 H GLY 49 6.396 4.519 -5.611
274 1HA GLY 49 1HA GLY 49 8.785 5.267 -7.219
275 2HA GLY 49 2HA GLY 49 7.145 5.612 -7.759
276 H GLY 50 H GLY 50 7.277 2.736 -5.926
277 1HA GLY 50 1HA GLY 50 7.247 0.894 -8.204
278 2HA GLY 50 2HA GLY 50 6.982 0.518 -6.502
279 H CYS 51 H CYS 51 8.537 -0.917 -5.859
280 HA CYS 51 HA CYS 51 11.356 -0.537 -6.008
281 1HB CYS 51 1HB CYS 51 10.046 -3.244 -6.148
282 2HB CYS 51 2HB CYS 51 11.606 -2.828 -5.519
No H/Q in entry = 282
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 -8.165 -6.668 -3.290
2 H2 GLY 1 H2 GLY 1 -6.563 -6.324 -3.359
3 H3 GLY 1 H3 GLY 1 -7.093 -7.833 -3.743
4 1HA GLY 1 1HA GLY 1 -6.082 -7.793 -1.564
5 2HA GLY 1 2HA GLY 1 -7.809 -8.214 -1.499
6 H GLU 2 H GLU 2 -5.757 -6.664 0.317
7 HA GLU 2 HA GLU 2 -7.796 -5.049 1.523
8 1HB GLU 2 1HB GLU 2 -6.169 -4.671 3.270
9 2HB GLU 2 2HB GLU 2 -6.174 -6.369 2.773
10 1HG GLU 2 1HG GLU 2 -4.277 -5.616 1.169
11 2HG GLU 2 2HG GLU 2 -4.067 -4.255 2.258
12 H CYS 3 H CYS 3 -4.823 -4.283 -0.368
13 HA CYS 3 HA CYS 3 -5.192 -1.491 0.356
14 1HB CYS 3 1HB CYS 3 -2.972 -2.625 0.055
15 2HB CYS 3 2HB CYS 3 -3.238 -2.469 -1.686
16 H GLU 4 H GLU 4 -5.764 -3.527 -2.540
17 HA GLU 4 HA GLU 4 -6.649 -1.488 -4.307
18 1HB GLU 4 1HB GLU 4 -7.443 -4.384 -3.895
19 2HB GLU 4 2HB GLU 4 -8.277 -3.393 -5.097
20 1HG GLU 4 1HG GLU 4 -6.316 -2.970 -6.348
21 2HG GLU 4 2HG GLU 4 -5.258 -3.585 -5.089
22 H GLN 5 H GLN 5 -8.271 -2.964 -1.489
23 HA GLN 5 HA GLN 5 -10.874 -1.805 -2.025
24 1HB GLN 5 1HB GLN 5 -10.066 -3.769 -0.359
25 2HB GLN 5 2HB GLN 5 -9.888 -2.454 0.762
26 1HG GLN 5 1HG GLN 5 -12.494 -2.863 -0.753
27 2HG GLN 5 2HG GLN 5 -12.112 -3.775 0.701
28 1HE2 GLN 5 2HE2 GLN 5 -13.167 -0.641 -0.488
29 2HE2 GLN 5 1HE2 GLN 5 -13.236 0.134 1.076
30 H CYS 6 H CYS 6 -8.104 -0.932 0.073
31 HA CYS 6 HA CYS 6 -9.267 1.418 1.115
32 1HB CYS 6 1HB CYS 6 -7.086 0.120 1.754
33 2HB CYS 6 2HB CYS 6 -6.288 1.242 0.658
34 H PHE 7 H PHE 7 -7.283 0.998 -1.847
35 HA PHE 7 HA PHE 7 -7.281 3.740 -2.613
36 1HB PHE 7 1HB PHE 7 -6.600 1.172 -3.850
37 2HB PHE 7 2HB PHE 7 -7.425 2.209 -4.996
38 HD1 PHE 7 HD1 PHE 7 -4.476 1.954 -2.748
39 HD2 PHE 7 HD2 PHE 7 -6.503 4.403 -5.686
40 HE1 PHE 7 HE1 PHE 7 -2.514 3.493 -2.906
41 HE2 PHE 7 HE2 PHE 7 -4.503 5.811 -5.902
42 HZ PHE 7 HZ PHE 7 -2.478 5.356 -4.494
43 H SER 8 H SER 8 -9.787 1.196 -3.146
44 HA SER 8 HA SER 8 -11.413 2.799 -4.848
45 1HB SER 8 1HB SER 8 -12.044 0.453 -3.007
46 2HB SER 8 2HB SER 8 -13.239 1.254 -4.057
47 HG SER 8 HG SER 8 -12.471 -0.179 -5.447
48 H ASP 9 H ASP 9 -10.986 2.828 -1.299
49 HA ASP 9 HA ASP 9 -13.276 4.619 -0.896
50 1HB ASP 9 1HB ASP 9 -12.143 2.869 0.726
51 2HB ASP 9 2HB ASP 9 -11.017 4.164 1.078
52 H GLY 10 H GLY 10 -11.307 5.466 -2.877
53 1HA GLY 10 1HA GLY 10 -10.911 8.225 -2.288
54 2HA GLY 10 2HA GLY 10 -10.156 7.314 -3.596
55 H GLY 11 H GLY 11 -8.831 5.355 -1.639
56 1HA GLY 11 1HA GLY 11 -6.981 5.179 -0.374
57 2HA GLY 11 2HA GLY 11 -7.253 6.829 0.203
58 H ASP 12 H ASP 12 -4.933 7.138 0.114
59 HA ASP 12 HA ASP 12 -3.632 6.977 -2.545
60 1HB ASP 12 1HB ASP 12 -3.676 9.375 -0.752
61 2HB ASP 12 2HB ASP 12 -2.179 8.997 -1.600
62 H CYS 13 H CYS 13 -1.952 8.182 0.285
63 HA CYS 13 HA CYS 13 -0.675 5.504 0.663
64 1HB CYS 13 1HB CYS 13 0.614 8.223 0.264
65 2HB CYS 13 2HB CYS 13 1.464 6.877 0.964
66 H THR 14 H THR 14 -1.086 8.772 2.188
67 HA THR 14 HA THR 14 -0.364 7.867 4.784
68 HB THR 14 HB THR 14 -2.201 10.178 4.013
69 HG1 THR 14 HG1 THR 14 -0.269 11.359 3.953
70 1HG2 THR 14 1HG2 THR 14 -2.127 9.704 6.466
71 2HG2 THR 14 2HG2 THR 14 -0.357 9.812 6.423
72 3HG2 THR 14 3HG2 THR 14 -1.352 11.241 6.066
73 H THR 15 H THR 15 -3.604 8.391 3.278
74 HA THR 15 HA THR 15 -4.957 7.596 5.677
75 HB THR 15 HB THR 15 -5.428 9.315 3.825
76 HG1 THR 15 HG1 THR 15 -7.581 9.250 4.082
77 1HG2 THR 15 1HG2 THR 15 -5.196 7.774 1.883
78 2HG2 THR 15 2HG2 THR 15 -6.756 7.052 2.337
79 3HG2 THR 15 3HG2 THR 15 -6.662 8.754 1.874
80 H CYS 16 H CYS 16 -3.295 5.438 4.567
81 HA CYS 16 HA CYS 16 -5.081 3.124 4.598
82 1HB CYS 16 1HB CYS 16 -3.604 4.008 2.070
83 2HB CYS 16 2HB CYS 16 -4.146 2.360 2.336
84 H PHE 17 H PHE 17 -1.762 4.597 4.443
85 HA PHE 17 HA PHE 17 -0.582 2.178 5.536
86 1HB PHE 17 1HB PHE 17 0.773 4.016 4.499
87 2HB PHE 17 2HB PHE 17 0.289 5.098 5.811
88 HD1 PHE 17 HD1 PHE 17 1.848 5.209 7.692
89 HD2 PHE 17 HD2 PHE 17 1.625 1.680 5.265
90 HE1 PHE 17 HE1 PHE 17 3.605 4.122 9.086
91 HE2 PHE 17 HE2 PHE 17 3.329 0.560 6.705
92 HZ PHE 17 HZ PHE 17 4.317 1.768 8.578
93 H ASN 18 H ASN 18 -2.079 5.166 6.755
94 HA ASN 18 HA ASN 18 -2.904 5.835 8.674
95 1HB ASN 18 1HB ASN 18 -4.388 3.770 7.990
96 2HB ASN 18 2HB ASN 18 -3.517 3.018 9.362
97 1HD2 ASN 18 2HD2 ASN 18 -5.908 2.896 10.268
98 2HD2 ASN 18 1HD2 ASN 18 -6.532 4.370 10.994
99 H ASN 19 H ASN 19 -0.259 5.498 8.886
100 HA ASN 19 HA ASN 19 1.477 4.856 9.900
101 1HB ASN 19 1HB ASN 19 0.663 6.809 11.251
102 2HB ASN 19 2HB ASN 19 0.339 5.647 12.556
103 1HD2 ASN 19 2HD2 ASN 19 2.751 7.625 11.071
104 2HD2 ASN 19 1HD2 ASN 19 4.142 6.937 11.891
105 H GLY 20 H GLY 20 1.059 2.701 9.193
106 1HA GLY 20 1HA GLY 20 2.323 1.130 11.207
107 2HA GLY 20 2HA GLY 20 2.048 0.691 9.535
108 H THR 21 H THR 21 -0.996 1.464 10.855
109 HA THR 21 HA THR 21 -1.616 -1.332 11.489
110 HB THR 21 HB THR 21 -1.933 1.271 12.717
111 HG1 THR 21 HG1 THR 21 -0.820 0.302 14.073
112 1HG2 THR 21 1HG2 THR 21 -4.018 -0.849 13.181
113 2HG2 THR 21 2HG2 THR 21 -3.721 0.569 14.222
114 3HG2 THR 21 3HG2 THR 21 -4.223 0.812 12.544
115 H GLY 22 H GLY 22 -1.922 0.840 8.960
116 1HA GLY 22 1HA GLY 22 -3.486 1.295 7.372
117 2HA GLY 22 2HA GLY 22 -4.769 0.628 8.385
118 HA PRO 23 HA PRO 23 -4.934 -2.995 5.971
119 1HB PRO 23 1HB PRO 23 -5.797 -2.307 3.428
120 2HB PRO 23 2HB PRO 23 -6.846 -2.350 4.873
121 1HG PRO 23 1HG PRO 23 -5.486 0.023 3.592
122 2HG PRO 23 2HG PRO 23 -7.157 -0.096 4.240
123 1HD PRO 23 1HD PRO 23 -5.136 1.064 5.652
124 2HD PRO 23 2HD PRO 23 -6.415 0.156 6.436
125 H CYS 24 H CYS 24 -3.283 -0.339 4.122
126 HA CYS 24 HA CYS 24 -1.359 -2.364 3.125
127 1HB CYS 24 1HB CYS 24 -0.933 0.177 1.903
128 2HB CYS 24 2HB CYS 24 -1.363 -1.378 1.226
129 H ALA 25 H ALA 25 -1.034 -2.116 5.710
130 HA ALA 25 HA ALA 25 1.135 -0.135 6.120
131 1HB ALA 25 1HB ALA 25 -0.011 -2.180 8.028
132 2HB ALA 25 2HB ALA 25 -0.302 -0.419 8.020
133 3HB ALA 25 3HB ALA 25 1.336 -1.067 8.337
134 H ASN 26 H ASN 26 0.583 -3.662 6.128
135 HA ASN 26 HA ASN 26 3.270 -4.397 6.448
136 1HB ASN 26 1HB ASN 26 2.670 -6.567 5.685
137 2HB ASN 26 2HB ASN 26 1.269 -5.956 6.554
138 1HD2 ASN 26 2HD2 ASN 26 -0.688 -5.415 5.273
139 2HD2 ASN 26 1HD2 ASN 26 -0.871 -6.008 3.652
140 H CYS 27 H CYS 27 1.689 -3.207 3.575
141 HA CYS 27 HA CYS 27 3.627 -4.154 1.664
142 1HB CYS 27 1HB CYS 27 1.606 -1.942 1.255
143 2HB CYS 27 2HB CYS 27 2.566 -2.803 0.077
144 H LEU 28 H LEU 28 4.162 -1.697 4.088
145 HA LEU 28 HA LEU 28 6.089 -0.327 2.371
146 1HB LEU 28 1HB LEU 28 4.992 -0.010 5.208
147 2HB LEU 28 2HB LEU 28 6.273 1.009 4.545
148 HG LEU 28 HG LEU 28 4.081 1.986 4.486
149 1HD1 LEU 28 1HD1 LEU 28 5.857 2.510 2.679
150 2HD1 LEU 28 2HD1 LEU 28 4.827 1.504 1.622
151 3HD1 LEU 28 3HD1 LEU 28 4.158 2.975 2.308
152 1HD2 LEU 28 1HD2 LEU 28 2.740 -0.030 3.978
153 2HD2 LEU 28 2HD2 LEU 28 2.310 1.419 3.078
154 3HD2 LEU 28 3HD2 LEU 28 3.248 0.150 2.261
155 H ALA 29 H ALA 29 6.049 -2.125 5.469
156 HA ALA 29 HA ALA 29 8.925 -1.798 5.794
157 1HB ALA 29 1HB ALA 29 8.554 -3.141 7.824
158 2HB ALA 29 2HB ALA 29 7.436 -1.769 7.731
159 3HB ALA 29 3HB ALA 29 6.856 -3.406 7.357
160 H GLY 30 H GLY 30 6.912 -4.792 5.746
161 1HA GLY 30 1HA GLY 30 7.483 -6.901 5.033
162 2HA GLY 30 2HA GLY 30 9.033 -6.315 4.429
163 H TYR 31 H TYR 31 8.889 -4.751 2.488
164 HA TYR 31 HA TYR 31 6.772 -5.751 0.613
165 1HB TYR 31 1HB TYR 31 6.246 -3.681 0.016
166 2HB TYR 31 2HB TYR 31 6.704 -3.283 1.656
167 HD1 TYR 31 HD1 TYR 31 9.802 -3.391 1.080
168 HD2 TYR 31 HD2 TYR 31 6.451 -1.672 -0.894
169 HE1 TYR 31 HE1 TYR 31 11.288 -1.592 0.101
170 HE2 TYR 31 HE2 TYR 31 7.868 0.085 -1.961
171 HH TYR 31 HH TYR 31 11.385 0.357 -1.307
172 HA PRO 32 HA PRO 32 11.123 -5.824 -1.092
173 1HB PRO 32 1HB PRO 32 11.902 -8.469 -1.014
174 2HB PRO 32 2HB PRO 32 12.170 -7.306 0.320
175 1HG PRO 32 1HG PRO 32 10.059 -9.446 0.081
176 2HG PRO 32 2HG PRO 32 10.936 -8.830 1.533
177 1HD PRO 32 1HD PRO 32 8.347 -8.063 0.850
178 2HD PRO 32 2HD PRO 32 9.491 -7.161 1.879
179 H ALA 33 H ALA 33 8.537 -8.143 -1.511
180 HA ALA 33 HA ALA 33 8.859 -8.433 -4.426
181 1HB ALA 33 1HB ALA 33 7.049 -10.059 -4.093
182 2HB ALA 33 2HB ALA 33 8.348 -10.394 -2.928
183 3HB ALA 33 3HB ALA 33 6.863 -9.537 -2.414
184 H GLY 34 H GLY 34 7.672 -5.989 -2.526
185 1HA GLY 34 1HA GLY 34 5.861 -4.576 -2.491
186 2HA GLY 34 2HA GLY 34 4.919 -6.051 -2.659
187 H CYS 35 H CYS 35 7.107 -4.575 -5.121
188 HA CYS 35 HA CYS 35 5.139 -3.423 -6.731
189 1HB CYS 35 1HB CYS 35 7.645 -4.913 -7.669
190 2HB CYS 35 2HB CYS 35 6.678 -3.853 -8.663
191 H SER 36 H SER 36 5.721 -6.827 -6.268
192 HA SER 36 HA SER 36 4.287 -7.531 -8.728
193 1HB SER 36 1HB SER 36 6.569 -8.530 -7.776
194 2HB SER 36 2HB SER 36 5.456 -9.601 -6.907
195 HG SER 36 HG SER 36 5.305 -9.080 -9.714
196 H ASN 37 H ASN 37 3.722 -6.989 -5.387
197 HA ASN 37 HA ASN 37 1.414 -8.840 -5.189
198 1HB ASN 37 1HB ASN 37 2.826 -6.997 -3.262
199 2HB ASN 37 2HB ASN 37 1.101 -6.963 -3.157
200 1HD2 ASN 37 2HD2 ASN 37 -0.119 -8.942 -3.103
201 2HD2 ASN 37 1HD2 ASN 37 0.446 -10.147 -1.977
202 H SER 38 H SER 38 0.427 -8.096 -7.148
203 HA SER 38 HA SER 38 0.010 -5.548 -8.106
204 1HB SER 38 1HB SER 38 -0.600 -7.910 -9.020
205 2HB SER 38 2HB SER 38 -2.164 -7.676 -8.237
206 HG SER 38 HG SER 38 -1.351 -6.834 -10.590
207 H ASP 39 H ASP 39 -1.738 -7.123 -5.415
208 HA ASP 39 HA ASP 39 -3.924 -5.360 -5.048
209 1HB ASP 39 1HB ASP 39 -3.720 -7.488 -3.899
210 2HB ASP 39 2HB ASP 39 -2.251 -6.957 -3.079
211 H CYS 40 H CYS 40 -0.529 -5.023 -4.094
212 HA CYS 40 HA CYS 40 -1.054 -2.420 -2.747
213 1HB CYS 40 1HB CYS 40 0.911 -4.664 -2.208
214 2HB CYS 40 2HB CYS 40 1.361 -3.008 -1.810
215 H THR 41 H THR 41 0.380 -3.932 -5.543
216 HA THR 41 HA THR 41 2.578 -2.446 -5.973
217 HB THR 41 HB THR 41 0.474 -3.496 -7.875
218 HG1 THR 41 HG1 THR 41 2.690 -4.833 -7.987
219 1HG2 THR 41 1HG2 THR 41 3.308 -2.692 -8.567
220 2HG2 THR 41 2HG2 THR 41 2.142 -3.617 -9.559
221 3HG2 THR 41 3HG2 THR 41 1.823 -1.913 -9.166
222 H ALA 42 H ALA 42 -0.794 -1.285 -6.733
223 HA ALA 42 HA ALA 42 0.271 0.964 -8.276
224 1HB ALA 42 1HB ALA 42 -1.924 0.103 -8.890
225 2HB ALA 42 2HB ALA 42 -2.092 1.760 -8.266
226 3HB ALA 42 3HB ALA 42 -2.531 0.386 -7.248
227 H PHE 43 H PHE 43 -0.997 0.420 -5.005
228 HA PHE 43 HA PHE 43 -0.776 3.068 -3.970
229 1HB PHE 43 1HB PHE 43 -1.859 1.238 -2.742
230 2HB PHE 43 2HB PHE 43 -0.373 0.309 -2.769
231 HD1 PHE 43 HD1 PHE 43 -2.232 2.776 -0.822
232 HD2 PHE 43 HD2 PHE 43 1.540 0.818 -1.407
233 HE1 PHE 43 HE1 PHE 43 -1.525 3.443 1.448
234 HE2 PHE 43 HE2 PHE 43 2.284 1.552 0.811
235 HZ PHE 43 HZ PHE 43 0.746 2.832 2.282
236 H LEU 44 H LEU 44 1.662 0.388 -3.818
237 HA LEU 44 HA LEU 44 3.654 2.120 -2.941
238 1HB LEU 44 1HB LEU 44 3.943 -0.441 -4.532
239 2HB LEU 44 2HB LEU 44 5.228 0.347 -3.629
240 HG LEU 44 HG LEU 44 2.687 -0.778 -2.404
241 1HD1 LEU 44 1HD1 LEU 44 5.430 -1.995 -2.763
242 2HD1 LEU 44 2HD1 LEU 44 4.173 -2.647 -1.671
243 3HD1 LEU 44 3HD1 LEU 44 3.910 -2.555 -3.434
244 1HD2 LEU 44 1HD2 LEU 44 3.807 1.119 -1.135
245 2HD2 LEU 44 2HD2 LEU 44 3.529 -0.378 -0.304
246 3HD2 LEU 44 3HD2 LEU 44 5.162 0.010 -0.901
247 H SER 45 H SER 45 2.755 1.408 -6.313
248 HA SER 45 HA SER 45 4.974 2.729 -7.478
249 1HB SER 45 1HB SER 45 2.526 1.516 -8.427
250 2HB SER 45 2HB SER 45 2.757 3.039 -9.229
251 HG SER 45 HG SER 45 4.926 2.361 -9.683
252 H GLN 46 H GLN 46 2.320 4.039 -5.697
253 HA GLN 46 HA GLN 46 3.067 6.778 -6.544
254 1HB GLN 46 1HB GLN 46 0.820 5.772 -4.756
255 2HB GLN 46 2HB GLN 46 1.173 7.460 -5.110
256 1HG GLN 46 1HG GLN 46 1.083 6.695 -7.634
257 2HG GLN 46 2HG GLN 46 0.207 5.307 -7.003
258 1HE2 GLN 46 2HE2 GLN 46 -2.004 5.591 -6.693
259 2HE2 GLN 46 1HE2 GLN 46 -2.801 7.155 -6.652
260 H CYS 47 H CYS 47 2.694 5.026 -3.390
261 HA CYS 47 HA CYS 47 4.054 6.956 -1.973
262 1HB CYS 47 1HB CYS 47 4.257 4.126 -0.939
263 2HB CYS 47 2HB CYS 47 3.895 5.649 -0.117
264 H TYR 48 H TYR 48 5.528 4.186 -3.592
265 HA TYR 48 HA TYR 48 8.257 4.984 -2.687
266 1HB TYR 48 1HB TYR 48 7.195 2.392 -3.681
267 2HB TYR 48 2HB TYR 48 8.896 2.812 -3.770
268 HD1 TYR 48 HD1 TYR 48 6.155 1.964 -1.574
269 HD2 TYR 48 HD2 TYR 48 10.200 3.424 -1.713
270 HE1 TYR 48 HE1 TYR 48 6.539 1.164 0.707
271 HE2 TYR 48 HE2 TYR 48 10.483 2.922 0.691
272 HH TYR 48 HH TYR 48 9.411 2.236 2.616
273 H GLY 49 H GLY 49 6.078 4.856 -5.425
274 1HA GLY 49 1HA GLY 49 8.241 5.637 -7.327
275 2HA GLY 49 2HA GLY 49 6.517 5.841 -7.614
276 H GLY 50 H GLY 50 7.717 2.941 -6.046
277 1HA GLY 50 1HA GLY 50 6.942 1.246 -8.359
278 2HA GLY 50 2HA GLY 50 6.933 0.783 -6.652
279 H CYS 51 H CYS 51 8.599 -0.193 -5.917
280 HA CYS 51 HA CYS 51 11.029 0.316 -5.453
281 1HB CYS 51 1HB CYS 51 11.341 -2.031 -4.961
282 2HB CYS 51 2HB CYS 51 9.722 -1.507 -4.563
No H/Q in entry = 282
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 -8.902 -6.032 -3.403
2 H2 GLY 1 H2 GLY 1 -7.263 -5.832 -3.403
3 H3 GLY 1 H3 GLY 1 -7.901 -7.297 -3.758
4 1HA GLY 1 1HA GLY 1 -6.967 -7.197 -1.553
5 2HA GLY 1 2HA GLY 1 -8.704 -7.584 -1.537
6 H GLU 2 H GLU 2 -7.337 -6.472 0.685
7 HA GLU 2 HA GLU 2 -9.146 -4.415 1.366
8 1HB GLU 2 1HB GLU 2 -7.784 -4.112 3.400
9 2HB GLU 2 2HB GLU 2 -8.353 -5.765 3.094
10 1HG GLU 2 1HG GLU 2 -6.002 -6.021 1.966
11 2HG GLU 2 2HG GLU 2 -5.545 -4.656 2.972
12 H CYS 3 H CYS 3 -5.884 -4.256 0.009
13 HA CYS 3 HA CYS 3 -5.647 -1.410 0.619
14 1HB CYS 3 1HB CYS 3 -3.694 -2.790 0.718
15 2HB CYS 3 2HB CYS 3 -3.902 -3.328 -0.946
16 H GLU 4 H GLU 4 -6.329 -3.450 -2.315
17 HA GLU 4 HA GLU 4 -6.673 -1.248 -4.124
18 1HB GLU 4 1HB GLU 4 -7.890 -4.015 -4.010
19 2HB GLU 4 2HB GLU 4 -8.228 -2.887 -5.324
20 1HG GLU 4 1HG GLU 4 -5.959 -2.794 -6.037
21 2HG GLU 4 2HG GLU 4 -5.369 -3.572 -4.587
22 H GLN 5 H GLN 5 -8.946 -2.770 -1.794
23 HA GLN 5 HA GLN 5 -11.192 -1.168 -2.478
24 1HB GLN 5 1HB GLN 5 -11.213 -3.248 -1.078
25 2HB GLN 5 2HB GLN 5 -10.491 -2.357 0.250
26 1HG GLN 5 1HG GLN 5 -13.152 -1.629 -1.072
27 2HG GLN 5 2HG GLN 5 -13.008 -2.666 0.345
28 1HE2 GLN 5 2HE2 GLN 5 -13.895 0.430 -0.383
29 2HE2 GLN 5 1HE2 GLN 5 -13.344 1.198 1.072
30 H CYS 6 H CYS 6 -8.605 -0.610 -0.005
31 HA CYS 6 HA CYS 6 -9.598 1.839 0.937
32 1HB CYS 6 1HB CYS 6 -7.684 0.471 1.830
33 2HB CYS 6 2HB CYS 6 -6.644 1.149 0.575
34 H PHE 7 H PHE 7 -7.397 1.255 -1.847
35 HA PHE 7 HA PHE 7 -7.165 3.977 -2.661
36 1HB PHE 7 1HB PHE 7 -6.560 1.364 -3.799
37 2HB PHE 7 2HB PHE 7 -7.171 2.459 -5.018
38 HD1 PHE 7 HD1 PHE 7 -4.546 2.142 -2.366
39 HD2 PHE 7 HD2 PHE 7 -5.991 4.437 -5.711
40 HE1 PHE 7 HE1 PHE 7 -2.411 3.390 -2.470
41 HE2 PHE 7 HE2 PHE 7 -3.875 5.741 -5.732
42 HZ PHE 7 HZ PHE 7 -2.052 5.151 -4.138
43 H SER 8 H SER 8 -9.584 1.514 -3.473
44 HA SER 8 HA SER 8 -11.095 3.114 -5.296
45 1HB SER 8 1HB SER 8 -12.020 0.752 -3.614
46 2HB SER 8 2HB SER 8 -12.740 1.365 -5.110
47 HG SER 8 HG SER 8 -10.202 0.117 -4.801
48 H ASP 9 H ASP 9 -10.792 3.493 -1.889
49 HA ASP 9 HA ASP 9 -13.297 5.106 -1.852
50 1HB ASP 9 1HB ASP 9 -12.820 3.225 -0.113
51 2HB ASP 9 2HB ASP 9 -11.618 4.320 0.546
52 H GLY 10 H GLY 10 -10.861 5.864 -3.251
53 1HA GLY 10 1HA GLY 10 -10.533 8.594 -2.359
54 2HA GLY 10 2HA GLY 10 -9.641 7.766 -3.628
55 H GLY 11 H GLY 11 -8.548 5.635 -2.248
56 1HA GLY 11 1HA GLY 11 -6.705 5.094 -0.965
57 2HA GLY 11 2HA GLY 11 -7.049 6.474 0.060
58 H ASP 12 H ASP 12 -4.831 7.146 0.103
59 HA ASP 12 HA ASP 12 -3.426 7.201 -2.508
60 1HB ASP 12 1HB ASP 12 -1.861 9.024 -1.489
61 2HB ASP 12 2HB ASP 12 -3.374 9.528 -2.206
62 H CYS 13 H CYS 13 -1.992 7.966 0.602
63 HA CYS 13 HA CYS 13 -1.041 5.176 0.941
64 1HB CYS 13 1HB CYS 13 0.760 7.611 1.047
65 2HB CYS 13 2HB CYS 13 1.238 5.931 1.215
66 H THR 14 H THR 14 -0.949 8.552 2.145
67 HA THR 14 HA THR 14 -0.682 7.731 4.900
68 HB THR 14 HB THR 14 -1.259 10.434 3.626
69 HG1 THR 14 HG1 THR 14 0.643 9.789 2.791
70 1HG2 THR 14 1HG2 THR 14 -0.011 9.612 6.286
71 2HG2 THR 14 2HG2 THR 14 -0.043 11.273 5.660
72 3HG2 THR 14 3HG2 THR 14 -1.557 10.452 6.070
73 H THR 15 H THR 15 -3.447 8.368 2.785
74 HA THR 15 HA THR 15 -5.221 7.971 5.174
75 HB THR 15 HB THR 15 -5.591 9.787 3.474
76 HG1 THR 15 HG1 THR 15 -7.337 8.656 4.738
77 1HG2 THR 15 1HG2 THR 15 -5.029 8.421 1.455
78 2HG2 THR 15 2HG2 THR 15 -6.608 7.646 1.648
79 3HG2 THR 15 3HG2 THR 15 -6.507 9.389 1.338
80 H CYS 16 H CYS 16 -3.341 5.857 4.217
81 HA CYS 16 HA CYS 16 -5.184 3.606 4.274
82 1HB CYS 16 1HB CYS 16 -3.434 4.204 1.842
83 2HB CYS 16 2HB CYS 16 -4.008 2.582 2.228
84 H PHE 17 H PHE 17 -2.788 4.875 5.880
85 HA PHE 17 HA PHE 17 -1.129 2.405 5.903
86 1HB PHE 17 1HB PHE 17 0.175 4.163 4.963
87 2HB PHE 17 2HB PHE 17 -0.050 5.131 6.402
88 HD1 PHE 17 HD1 PHE 17 0.842 1.506 5.753
89 HD2 PHE 17 HD2 PHE 17 1.911 5.197 7.716
90 HE1 PHE 17 HE1 PHE 17 2.807 0.364 6.808
91 HE2 PHE 17 HE2 PHE 17 3.879 4.078 8.699
92 HZ PHE 17 HZ PHE 17 4.325 1.656 8.241
93 H ASN 18 H ASN 18 -2.738 4.853 7.869
94 HA ASN 18 HA ASN 18 -3.310 4.964 10.041
95 1HB ASN 18 1HB ASN 18 -4.166 2.518 9.346
96 2HB ASN 18 2HB ASN 18 -2.889 2.056 10.477
97 1HD2 ASN 18 2HD2 ASN 18 -3.183 2.992 12.861
98 2HD2 ASN 18 1HD2 ASN 18 -4.824 3.317 13.324
99 H ASN 19 H ASN 19 -0.448 5.006 9.199
100 HA ASN 19 HA ASN 19 1.610 4.865 9.867
101 1HB ASN 19 1HB ASN 19 0.788 6.488 11.437
102 2HB ASN 19 2HB ASN 19 0.599 5.226 12.677
103 1HD2 ASN 19 2HD2 ASN 19 2.332 5.205 14.120
104 2HD2 ASN 19 1HD2 ASN 19 3.974 5.629 13.704
105 H GLY 20 H GLY 20 0.349 2.272 9.530
106 1HA GLY 20 1HA GLY 20 2.449 0.726 10.863
107 2HA GLY 20 2HA GLY 20 1.857 0.491 9.244
108 H THR 21 H THR 21 -1.036 0.706 10.066
109 HA THR 21 HA THR 21 -1.238 -2.130 10.613
110 HB THR 21 HB THR 21 -1.059 -1.079 12.849
111 HG1 THR 21 HG1 THR 21 -2.206 -2.613 13.635
112 1HG2 THR 21 1HG2 THR 21 -2.531 0.810 12.303
113 2HG2 THR 21 2HG2 THR 21 -3.907 -0.301 12.202
114 3HG2 THR 21 3HG2 THR 21 -3.048 -0.068 13.754
115 H GLY 22 H GLY 22 -2.125 0.257 8.636
116 1HA GLY 22 1HA GLY 22 -3.918 0.747 7.347
117 2HA GLY 22 2HA GLY 22 -4.988 -0.242 8.345
118 HA PRO 23 HA PRO 23 -4.985 -3.221 5.210
119 1HB PRO 23 1HB PRO 23 -5.584 -2.216 2.741
120 2HB PRO 23 2HB PRO 23 -6.724 -2.182 4.125
121 1HG PRO 23 1HG PRO 23 -5.022 0.071 3.043
122 2HG PRO 23 2HG PRO 23 -6.695 0.106 3.684
123 1HD PRO 23 1HD PRO 23 -4.458 0.802 5.136
124 2HD PRO 23 2HD PRO 23 -5.995 0.312 5.841
125 H CYS 24 H CYS 24 -3.154 -0.668 3.474
126 HA CYS 24 HA CYS 24 -1.159 -2.633 2.460
127 1HB CYS 24 1HB CYS 24 -2.224 -0.001 1.602
128 2HB CYS 24 2HB CYS 24 -0.472 -0.021 1.666
129 H ALA 25 H ALA 25 -0.410 -3.029 4.771
130 HA ALA 25 HA ALA 25 1.203 -0.716 5.789
131 1HB ALA 25 1HB ALA 25 0.873 -1.679 8.073
132 2HB ALA 25 2HB ALA 25 -0.432 -2.676 7.393
133 3HB ALA 25 3HB ALA 25 -0.536 -0.899 7.352
134 H ASN 26 H ASN 26 1.008 -4.328 5.715
135 HA ASN 26 HA ASN 26 3.806 -4.510 6.457
136 1HB ASN 26 1HB ASN 26 1.921 -6.515 5.088
137 2HB ASN 26 2HB ASN 26 3.602 -6.865 5.484
138 1HD2 ASN 26 2HD2 ASN 26 3.575 -8.303 7.192
139 2HD2 ASN 26 1HD2 ASN 26 2.644 -8.026 8.651
140 H CYS 27 H CYS 27 2.063 -3.856 3.542
141 HA CYS 27 HA CYS 27 4.085 -4.431 1.624
142 1HB CYS 27 1HB CYS 27 1.865 -2.375 1.320
143 2HB CYS 27 2HB CYS 27 2.802 -3.211 0.101
144 H LEU 28 H LEU 28 4.250 -1.973 4.110
145 HA LEU 28 HA LEU 28 5.935 -0.252 2.477
146 1HB LEU 28 1HB LEU 28 4.763 -0.227 5.292
147 2HB LEU 28 2HB LEU 28 5.935 0.971 4.762
148 HG LEU 28 HG LEU 28 3.584 1.636 4.617
149 1HD1 LEU 28 1HD1 LEU 28 5.540 2.505 3.091
150 2HD1 LEU 28 2HD1 LEU 28 4.703 1.573 1.843
151 3HD1 LEU 28 3HD1 LEU 28 3.871 2.925 2.630
152 1HD2 LEU 28 1HD2 LEU 28 2.629 -0.501 3.762
153 2HD2 LEU 28 2HD2 LEU 28 2.084 0.957 2.954
154 3HD2 LEU 28 3HD2 LEU 28 3.291 -0.065 2.148
155 H ALA 29 H ALA 29 6.247 -1.937 5.615
156 HA ALA 29 HA ALA 29 8.836 -0.978 6.130
157 1HB ALA 29 1HB ALA 29 8.842 -2.692 7.941
158 2HB ALA 29 2HB ALA 29 7.361 -3.410 7.264
159 3HB ALA 29 3HB ALA 29 7.342 -1.747 7.897
160 H GLY 30 H GLY 30 8.091 -4.439 5.620
161 1HA GLY 30 1HA GLY 30 9.773 -6.059 5.079
162 2HA GLY 30 2HA GLY 30 10.745 -4.792 4.313
163 H TYR 31 H TYR 31 9.678 -3.617 2.404
164 HA TYR 31 HA TYR 31 7.741 -5.403 0.976
165 1HB TYR 31 1HB TYR 31 6.940 -3.479 0.080
166 2HB TYR 31 2HB TYR 31 7.295 -2.915 1.709
167 HD1 TYR 31 HD1 TYR 31 6.824 -1.341 -0.740
168 HD2 TYR 31 HD2 TYR 31 10.504 -2.774 0.853
169 HE1 TYR 31 HE1 TYR 31 7.978 0.543 -1.872
170 HE2 TYR 31 HE2 TYR 31 11.695 -0.839 -0.113
171 HH TYR 31 HH TYR 31 10.096 1.478 -2.282
172 HA PRO 32 HA PRO 32 11.477 -4.962 -1.752
173 1HB PRO 32 1HB PRO 32 12.899 -7.327 -1.681
174 2HB PRO 32 2HB PRO 32 13.119 -5.993 -0.507
175 1HG PRO 32 1HG PRO 32 11.412 -8.473 -0.195
176 2HG PRO 32 2HG PRO 32 12.583 -7.782 0.969
177 1HD PRO 32 1HD PRO 32 9.891 -7.281 1.140
178 2HD PRO 32 2HD PRO 32 11.129 -6.053 1.564
179 H ALA 33 H ALA 33 8.908 -7.072 -1.522
180 HA ALA 33 HA ALA 33 8.953 -7.912 -4.377
181 1HB ALA 33 1HB ALA 33 7.602 -9.853 -3.612
182 2HB ALA 33 2HB ALA 33 9.201 -9.840 -2.850
183 3HB ALA 33 3HB ALA 33 7.777 -9.288 -1.936
184 H GLY 34 H GLY 34 7.595 -5.612 -2.323
185 1HA GLY 34 1HA GLY 34 5.501 -4.650 -2.124
186 2HA GLY 34 2HA GLY 34 4.844 -6.258 -2.476
187 H CYS 35 H CYS 35 6.933 -4.652 -4.702
188 HA CYS 35 HA CYS 35 5.207 -3.432 -6.523
189 1HB CYS 35 1HB CYS 35 7.672 -5.005 -7.253
190 2HB CYS 35 2HB CYS 35 7.155 -3.450 -7.918
191 H SER 36 H SER 36 5.655 -6.840 -5.880
192 HA SER 36 HA SER 36 4.429 -7.673 -8.425
193 1HB SER 36 1HB SER 36 6.298 -8.907 -6.390
194 2HB SER 36 2HB SER 36 5.295 -9.935 -7.444
195 HG SER 36 HG SER 36 7.189 -7.941 -8.223
196 H ASN 37 H ASN 37 3.704 -7.024 -5.141
197 HA ASN 37 HA ASN 37 1.571 -9.049 -4.842
198 1HB ASN 37 1HB ASN 37 3.034 -7.568 -2.913
199 2HB ASN 37 2HB ASN 37 1.714 -6.594 -3.097
200 1HD2 ASN 37 2HD2 ASN 37 -0.469 -7.344 -2.627
201 2HD2 ASN 37 1HD2 ASN 37 -0.670 -8.729 -1.582
202 H SER 38 H SER 38 0.256 -8.453 -6.828
203 HA SER 38 HA SER 38 -0.025 -5.835 -7.738
204 1HB SER 38 1HB SER 38 -2.016 -7.989 -8.009
205 2HB SER 38 2HB SER 38 -1.830 -6.565 -9.059
206 HG SER 38 HG SER 38 0.474 -7.351 -9.180
207 H ASP 39 H ASP 39 -2.002 -7.365 -5.154
208 HA ASP 39 HA ASP 39 -3.889 -5.248 -4.863
209 1HB ASP 39 1HB ASP 39 -4.113 -7.485 -3.889
210 2HB ASP 39 2HB ASP 39 -2.771 -7.153 -2.803
211 H CYS 40 H CYS 40 -0.499 -5.304 -3.965
212 HA CYS 40 HA CYS 40 -0.826 -2.780 -2.428
213 1HB CYS 40 1HB CYS 40 1.371 -4.907 -2.204
214 2HB CYS 40 2HB CYS 40 1.494 -3.273 -1.598
215 H THR 41 H THR 41 0.016 -3.946 -5.476
216 HA THR 41 HA THR 41 2.437 -2.528 -5.898
217 HB THR 41 HB THR 41 0.307 -3.760 -7.655
218 HG1 THR 41 HG1 THR 41 1.888 -4.901 -6.192
219 1HG2 THR 41 1HG2 THR 41 1.500 -2.077 -9.047
220 2HG2 THR 41 2HG2 THR 41 3.019 -2.944 -8.700
221 3HG2 THR 41 3HG2 THR 41 1.672 -3.782 -9.530
222 H ALA 42 H ALA 42 -1.019 -1.659 -6.614
223 HA ALA 42 HA ALA 42 -0.340 0.658 -8.165
224 1HB ALA 42 1HB ALA 42 -2.563 -0.535 -8.228
225 2HB ALA 42 2HB ALA 42 -2.909 0.123 -6.617
226 3HB ALA 42 3HB ALA 42 -2.666 1.222 -7.983
227 H PHE 43 H PHE 43 -1.012 0.081 -4.753
228 HA PHE 43 HA PHE 43 -0.792 2.758 -3.776
229 1HB PHE 43 1HB PHE 43 -1.767 0.927 -2.506
230 2HB PHE 43 2HB PHE 43 -0.246 0.033 -2.562
231 HD1 PHE 43 HD1 PHE 43 -2.222 2.327 -0.552
232 HD2 PHE 43 HD2 PHE 43 1.741 0.857 -1.339
233 HE1 PHE 43 HE1 PHE 43 -1.466 3.113 1.673
234 HE2 PHE 43 HE2 PHE 43 2.526 1.785 0.808
235 HZ PHE 43 HZ PHE 43 0.924 2.902 2.323
236 H LEU 44 H LEU 44 1.790 0.155 -3.656
237 HA LEU 44 HA LEU 44 3.681 2.020 -2.896
238 1HB LEU 44 1HB LEU 44 4.146 -0.571 -4.416
239 2HB LEU 44 2HB LEU 44 5.364 0.323 -3.556
240 HG LEU 44 HG LEU 44 2.902 -0.889 -2.225
241 1HD1 LEU 44 1HD1 LEU 44 5.726 -1.926 -2.541
242 2HD1 LEU 44 2HD1 LEU 44 4.509 -2.607 -1.423
243 3HD1 LEU 44 3HD1 LEU 44 4.226 -2.618 -3.177
244 1HD2 LEU 44 1HD2 LEU 44 3.913 1.110 -1.035
245 2HD2 LEU 44 2HD2 LEU 44 3.843 -0.392 -0.149
246 3HD2 LEU 44 3HD2 LEU 44 5.373 0.144 -0.879
247 H SER 45 H SER 45 2.757 1.257 -6.163
248 HA SER 45 HA SER 45 4.740 2.451 -7.735
249 1HB SER 45 1HB SER 45 2.703 1.200 -8.434
250 2HB SER 45 2HB SER 45 1.716 2.588 -8.106
251 HG SER 45 HG SER 45 3.853 2.379 -9.994
252 H GLN 46 H GLN 46 2.171 3.930 -5.884
253 HA GLN 46 HA GLN 46 2.981 6.692 -6.578
254 1HB GLN 46 1HB GLN 46 0.714 5.600 -4.839
255 2HB GLN 46 2HB GLN 46 0.988 7.299 -5.231
256 1HG GLN 46 1HG GLN 46 0.849 6.699 -7.687
257 2HG GLN 46 2HG GLN 46 0.461 5.045 -7.227
258 1HE2 GLN 46 2HE2 GLN 46 -1.359 5.383 -8.514
259 2HE2 GLN 46 1HE2 GLN 46 -2.713 6.410 -8.038
260 H CYS 47 H CYS 47 2.744 4.667 -3.619
261 HA CYS 47 HA CYS 47 3.655 6.729 -1.887
262 1HB CYS 47 1HB CYS 47 3.739 3.755 -1.258
263 2HB CYS 47 2HB CYS 47 3.531 5.121 -0.155
264 H TYR 48 H TYR 48 5.493 4.597 -3.843
265 HA TYR 48 HA TYR 48 8.044 5.464 -2.550
266 1HB TYR 48 1HB TYR 48 7.350 2.719 -3.478
267 2HB TYR 48 2HB TYR 48 8.998 3.321 -3.353
268 HD1 TYR 48 HD1 TYR 48 9.967 4.049 -1.159
269 HD2 TYR 48 HD2 TYR 48 6.065 2.262 -1.504
270 HE1 TYR 48 HE1 TYR 48 10.114 3.285 1.190
271 HE2 TYR 48 HE2 TYR 48 6.312 1.330 0.753
272 HH TYR 48 HH TYR 48 8.308 0.887 2.514
273 H GLY 49 H GLY 49 6.440 4.091 -5.460
274 1HA GLY 49 1HA GLY 49 8.814 4.790 -7.076
275 2HA GLY 49 2HA GLY 49 7.223 5.282 -7.670
276 H GLY 50 H GLY 50 7.151 2.367 -5.801
277 1HA GLY 50 1HA GLY 50 6.138 0.858 -8.003
278 2HA GLY 50 2HA GLY 50 6.436 0.285 -6.353
279 H CYS 51 H CYS 51 8.834 0.067 -5.816
280 HA CYS 51 HA CYS 51 10.931 -0.644 -6.126
281 1HB CYS 51 1HB CYS 51 9.806 -2.088 -8.544
282 2HB CYS 51 2HB CYS 51 11.490 -2.131 -8.087
No H/Q in entry = 282
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 -7.986 -5.994 -2.874
2 H2 GLY 1 H2 GLY 1 -8.020 -7.465 -3.589
3 H3 GLY 1 H3 GLY 1 -9.323 -6.947 -2.706
4 1HA GLY 1 1HA GLY 1 -6.650 -7.577 -1.673
5 2HA GLY 1 2HA GLY 1 -8.131 -8.537 -1.427
6 H GLU 2 H GLU 2 -6.186 -6.107 -0.147
7 HA GLU 2 HA GLU 2 -8.393 -4.925 1.469
8 1HB GLU 2 1HB GLU 2 -6.888 -4.715 3.325
9 2HB GLU 2 2HB GLU 2 -7.077 -6.408 2.832
10 1HG GLU 2 1HG GLU 2 -4.905 -5.710 1.388
11 2HG GLU 2 2HG GLU 2 -4.670 -4.624 2.750
12 H CYS 3 H CYS 3 -5.084 -4.319 0.107
13 HA CYS 3 HA CYS 3 -5.161 -1.574 0.710
14 1HB CYS 3 1HB CYS 3 -3.129 -2.817 0.148
15 2HB CYS 3 2HB CYS 3 -3.679 -2.933 -1.525
16 H GLU 4 H GLU 4 -6.100 -3.397 -2.247
17 HA GLU 4 HA GLU 4 -6.910 -1.211 -3.844
18 1HB GLU 4 1HB GLU 4 -7.911 -4.084 -3.760
19 2HB GLU 4 2HB GLU 4 -8.348 -2.905 -5.007
20 1HG GLU 4 1HG GLU 4 -5.843 -2.620 -5.458
21 2HG GLU 4 2HG GLU 4 -5.603 -4.043 -4.430
22 H GLN 5 H GLN 5 -8.635 -2.674 -1.093
23 HA GLN 5 HA GLN 5 -11.228 -1.554 -1.823
24 1HB GLN 5 1HB GLN 5 -10.956 -3.515 -0.280
25 2HB GLN 5 2HB GLN 5 -10.163 -2.486 0.890
26 1HG GLN 5 1HG GLN 5 -12.959 -1.900 -0.154
27 2HG GLN 5 2HG GLN 5 -12.663 -2.936 1.233
28 1HE2 GLN 5 2HE2 GLN 5 -14.140 -0.368 1.180
29 2HE2 GLN 5 1HE2 GLN 5 -13.293 0.652 2.348
30 H CYS 6 H CYS 6 -8.465 -0.685 0.260
31 HA CYS 6 HA CYS 6 -9.615 1.721 1.239
32 1HB CYS 6 1HB CYS 6 -7.718 0.418 2.153
33 2HB CYS 6 2HB CYS 6 -6.678 0.986 0.854
34 H PHE 7 H PHE 7 -7.522 1.064 -1.575
35 HA PHE 7 HA PHE 7 -7.384 3.734 -2.586
36 1HB PHE 7 1HB PHE 7 -6.798 1.035 -3.575
37 2HB PHE 7 2HB PHE 7 -7.527 2.033 -4.818
38 HD1 PHE 7 HD1 PHE 7 -6.227 3.650 -5.995
39 HD2 PHE 7 HD2 PHE 7 -4.817 2.152 -2.197
40 HE1 PHE 7 HE1 PHE 7 -4.129 4.866 -6.312
41 HE2 PHE 7 HE2 PHE 7 -2.685 3.352 -2.558
42 HZ PHE 7 HZ PHE 7 -2.321 4.724 -4.561
43 H SER 8 H SER 8 -9.853 1.142 -3.068
44 HA SER 8 HA SER 8 -11.544 2.425 -4.825
45 1HB SER 8 1HB SER 8 -11.664 0.078 -3.547
46 2HB SER 8 2HB SER 8 -12.772 0.967 -2.496
47 HG SER 8 HG SER 8 -13.798 -0.124 -4.149
48 H ASP 9 H ASP 9 -11.400 2.815 -1.234
49 HA ASP 9 HA ASP 9 -13.459 4.908 -1.389
50 1HB ASP 9 1HB ASP 9 -12.983 2.902 0.422
51 2HB ASP 9 2HB ASP 9 -12.224 4.249 1.233
52 H GLY 10 H GLY 10 -10.908 5.547 -2.630
53 1HA GLY 10 1HA GLY 10 -10.725 8.228 -1.383
54 2HA GLY 10 2HA GLY 10 -10.315 7.784 -3.031
55 H GLY 11 H GLY 11 -8.736 5.416 -1.460
56 1HA GLY 11 1HA GLY 11 -6.548 5.021 -0.975
57 2HA GLY 11 2HA GLY 11 -6.644 6.477 0.000
58 H ASP 12 H ASP 12 -4.652 7.340 -0.394
59 HA ASP 12 HA ASP 12 -3.442 6.858 -3.050
60 1HB ASP 12 1HB ASP 12 -3.153 9.347 -1.387
61 2HB ASP 12 2HB ASP 12 -1.746 8.717 -2.225
62 H CYS 13 H CYS 13 -1.713 8.186 -0.240
63 HA CYS 13 HA CYS 13 -0.713 5.452 0.402
64 1HB CYS 13 1HB CYS 13 0.715 8.142 0.364
65 2HB CYS 13 2HB CYS 13 1.399 6.649 1.002
66 H THR 14 H THR 14 -0.996 8.732 1.903
67 HA THR 14 HA THR 14 -0.579 7.618 4.499
68 HB THR 14 HB THR 14 -1.574 10.335 3.571
69 HG1 THR 14 HG1 THR 14 0.831 10.386 4.587
70 1HG2 THR 14 1HG2 THR 14 -0.571 9.480 6.330
71 2HG2 THR 14 2HG2 THR 14 -0.858 11.152 5.790
72 3HG2 THR 14 3HG2 THR 14 -2.208 10.033 5.931
73 H THR 15 H THR 15 -3.649 8.322 2.712
74 HA THR 15 HA THR 15 -5.191 7.703 5.125
75 HB THR 15 HB THR 15 -5.559 9.493 3.277
76 HG1 THR 15 HG1 THR 15 -7.907 9.167 3.476
77 1HG2 THR 15 1HG2 THR 15 -5.597 8.101 1.303
78 2HG2 THR 15 2HG2 THR 15 -7.121 7.340 1.887
79 3HG2 THR 15 3HG2 THR 15 -7.056 9.058 1.514
80 H CYS 16 H CYS 16 -3.422 5.637 4.220
81 HA CYS 16 HA CYS 16 -5.224 3.344 4.397
82 1HB CYS 16 1HB CYS 16 -3.322 3.588 2.024
83 2HB CYS 16 2HB CYS 16 -4.102 2.105 2.557
84 H PHE 17 H PHE 17 -1.941 4.826 4.515
85 HA PHE 17 HA PHE 17 -0.795 2.388 5.468
86 1HB PHE 17 1HB PHE 17 0.537 4.320 4.614
87 2HB PHE 17 2HB PHE 17 0.126 5.222 6.073
88 HD1 PHE 17 HD1 PHE 17 2.075 5.327 7.475
89 HD2 PHE 17 HD2 PHE 17 1.198 1.675 5.392
90 HE1 PHE 17 HE1 PHE 17 3.936 4.195 8.668
91 HE2 PHE 17 HE2 PHE 17 3.011 0.523 6.660
92 HZ PHE 17 HZ PHE 17 4.411 1.786 8.209
93 H ASN 18 H ASN 18 -2.761 4.852 7.040
94 HA ASN 18 HA ASN 18 -3.302 5.351 9.190
95 1HB ASN 18 1HB ASN 18 -4.540 3.153 8.634
96 2HB ASN 18 2HB ASN 18 -3.233 2.409 9.601
97 1HD2 ASN 18 2HD2 ASN 18 -4.988 1.580 11.029
98 2HD2 ASN 18 1HD2 ASN 18 -5.506 2.682 12.290
99 H ASN 19 H ASN 19 -0.427 5.053 8.709
100 HA ASN 19 HA ASN 19 1.546 4.793 9.671
101 1HB ASN 19 1HB ASN 19 0.755 6.620 11.045
102 2HB ASN 19 2HB ASN 19 0.083 5.467 12.190
103 1HD2 ASN 19 2HD2 ASN 19 1.331 5.371 13.983
104 2HD2 ASN 19 1HD2 ASN 19 3.059 5.363 14.056
105 H GLY 20 H GLY 20 0.990 2.469 8.915
106 1HA GLY 20 1HA GLY 20 2.487 0.909 10.801
107 2HA GLY 20 2HA GLY 20 1.978 0.429 9.197
108 H THR 21 H THR 21 -0.921 1.124 10.048
109 HA THR 21 HA THR 21 -1.596 -1.568 10.820
110 HB THR 21 HB THR 21 -1.136 -0.913 12.976
111 HG1 THR 21 HG1 THR 21 -3.707 -1.381 12.210
112 1HG2 THR 21 1HG2 THR 21 -2.940 1.430 12.442
113 2HG2 THR 21 2HG2 THR 21 -2.247 1.001 14.043
114 3HG2 THR 21 3HG2 THR 21 -1.191 1.446 12.696
115 H GLY 22 H GLY 22 -1.963 -0.166 8.442
116 1HA GLY 22 1HA GLY 22 -3.782 1.142 7.316
117 2HA GLY 22 2HA GLY 22 -4.906 0.132 8.251
118 HA PRO 23 HA PRO 23 -4.886 -3.086 5.550
119 1HB PRO 23 1HB PRO 23 -5.671 -2.344 2.977
120 2HB PRO 23 2HB PRO 23 -6.738 -2.612 4.375
121 1HG PRO 23 1HG PRO 23 -5.781 -0.054 3.200
122 2HG PRO 23 2HG PRO 23 -7.312 -0.401 4.084
123 1HD PRO 23 1HD PRO 23 -5.109 0.917 5.096
124 2HD PRO 23 2HD PRO 23 -6.333 0.196 6.082
125 H CYS 24 H CYS 24 -3.413 -0.484 3.545
126 HA CYS 24 HA CYS 24 -1.307 -2.361 2.659
127 1HB CYS 24 1HB CYS 24 -0.841 0.258 1.644
128 2HB CYS 24 2HB CYS 24 -1.224 -1.252 0.837
129 H ALA 25 H ALA 25 -0.717 -2.550 4.965
130 HA ALA 25 HA ALA 25 1.209 -0.376 5.699
131 1HB ALA 25 1HB ALA 25 -0.233 -2.316 7.522
132 2HB ALA 25 2HB ALA 25 -0.447 -0.551 7.409
133 3HB ALA 25 3HB ALA 25 1.080 -1.228 8.012
134 H ASN 26 H ASN 26 0.829 -3.942 5.865
135 HA ASN 26 HA ASN 26 3.557 -4.402 6.466
136 1HB ASN 26 1HB ASN 26 1.512 -6.179 5.063
137 2HB ASN 26 2HB ASN 26 3.105 -6.710 5.607
138 1HD2 ASN 26 2HD2 ASN 26 1.726 -8.293 6.845
139 2HD2 ASN 26 1HD2 ASN 26 1.068 -7.761 8.381
140 H CYS 27 H CYS 27 1.950 -3.731 3.467
141 HA CYS 27 HA CYS 27 3.879 -4.451 1.540
142 1HB CYS 27 1HB CYS 27 1.957 -2.119 1.312
143 2HB CYS 27 2HB CYS 27 2.715 -3.088 0.070
144 H LEU 28 H LEU 28 4.317 -2.040 4.041
145 HA LEU 28 HA LEU 28 6.252 -0.515 2.418
146 1HB LEU 28 1HB LEU 28 5.021 -0.210 5.206
147 2HB LEU 28 2HB LEU 28 6.230 0.867 4.549
148 HG LEU 28 HG LEU 28 3.877 1.597 4.561
149 1HD1 LEU 28 1HD1 LEU 28 5.718 2.523 2.986
150 2HD1 LEU 28 2HD1 LEU 28 4.819 1.630 1.737
151 3HD1 LEU 28 3HD1 LEU 28 4.022 2.931 2.624
152 1HD2 LEU 28 1HD2 LEU 28 2.809 -0.473 3.707
153 2HD2 LEU 28 2HD2 LEU 28 2.286 1.009 2.947
154 3HD2 LEU 28 3HD2 LEU 28 3.456 -0.040 2.082
155 H ALA 29 H ALA 29 5.958 -2.062 5.598
156 HA ALA 29 HA ALA 29 8.542 -1.472 6.406
157 1HB ALA 29 1HB ALA 29 8.041 -3.026 8.277
158 2HB ALA 29 2HB ALA 29 6.655 -3.673 7.380
159 3HB ALA 29 3HB ALA 29 6.665 -1.971 7.906
160 H GLY 30 H GLY 30 7.281 -4.580 5.243
161 1HA GLY 30 1HA GLY 30 8.810 -6.550 5.059
162 2HA GLY 30 2HA GLY 30 10.050 -5.424 4.469
163 H TYR 31 H TYR 31 9.488 -4.096 2.458
164 HA TYR 31 HA TYR 31 7.363 -5.480 0.834
165 1HB TYR 31 1HB TYR 31 6.815 -3.585 -0.007
166 2HB TYR 31 2HB TYR 31 7.236 -2.965 1.594
167 HD1 TYR 31 HD1 TYR 31 6.809 -1.429 -0.833
168 HD2 TYR 31 HD2 TYR 31 10.404 -3.150 0.657
169 HE1 TYR 31 HE1 TYR 31 8.051 0.337 -2.071
170 HE2 TYR 31 HE2 TYR 31 11.729 -1.443 -0.516
171 HH TYR 31 HH TYR 31 10.358 0.913 -2.817
172 HA PRO 32 HA PRO 32 11.270 -5.728 -1.604
173 1HB PRO 32 1HB PRO 32 12.328 -8.251 -1.286
174 2HB PRO 32 2HB PRO 32 12.729 -6.893 -0.216
175 1HG PRO 32 1HG PRO 32 10.624 -9.039 0.232
176 2HG PRO 32 2HG PRO 32 11.881 -8.449 1.372
177 1HD PRO 32 1HD PRO 32 9.355 -7.498 1.479
178 2HD PRO 32 2HD PRO 32 10.752 -6.438 1.762
179 H ALA 33 H ALA 33 8.378 -7.529 -1.216
180 HA ALA 33 HA ALA 33 8.445 -8.550 -4.014
181 1HB ALA 33 1HB ALA 33 6.905 -10.308 -3.246
182 2HB ALA 33 2HB ALA 33 8.445 -10.373 -2.360
183 3HB ALA 33 3HB ALA 33 6.989 -9.670 -1.586
184 H GLY 34 H GLY 34 7.232 -6.013 -2.194
185 1HA GLY 34 1HA GLY 34 5.254 -4.812 -2.169
186 2HA GLY 34 2HA GLY 34 4.427 -6.308 -2.611
187 H CYS 35 H CYS 35 6.955 -4.814 -4.654
188 HA CYS 35 HA CYS 35 5.160 -3.572 -6.494
189 1HB CYS 35 1HB CYS 35 7.842 -4.771 -7.207
190 2HB CYS 35 2HB CYS 35 7.035 -3.409 -7.968
191 H SER 36 H SER 36 6.063 -6.991 -6.028
192 HA SER 36 HA SER 36 4.988 -7.767 -8.579
193 1HB SER 36 1HB SER 36 5.748 -9.856 -8.021
194 2HB SER 36 2HB SER 36 6.903 -8.830 -7.206
195 HG SER 36 HG SER 36 5.675 -9.168 -5.266
196 H ASN 37 H ASN 37 3.731 -7.299 -5.308
197 HA ASN 37 HA ASN 37 1.338 -8.931 -5.734
198 1HB ASN 37 1HB ASN 37 2.468 -7.316 -3.437
199 2HB ASN 37 2HB ASN 37 0.745 -7.286 -3.580
200 1HD2 ASN 37 2HD2 ASN 37 -0.377 -9.328 -4.042
201 2HD2 ASN 37 1HD2 ASN 37 0.094 -10.680 -3.020
202 H SER 38 H SER 38 0.122 -8.095 -7.447
203 HA SER 38 HA SER 38 -0.089 -5.413 -8.174
204 1HB SER 38 1HB SER 38 -0.773 -7.488 -9.415
205 2HB SER 38 2HB SER 38 -2.314 -7.442 -8.536
206 HG SER 38 HG SER 38 -2.915 -5.813 -9.725
207 H ASP 39 H ASP 39 -1.750 -7.075 -5.539
208 HA ASP 39 HA ASP 39 -3.886 -5.311 -4.981
209 1HB ASP 39 1HB ASP 39 -3.589 -7.540 -3.963
210 2HB ASP 39 2HB ASP 39 -2.190 -6.994 -3.065
211 H CYS 40 H CYS 40 -0.416 -5.090 -4.164
212 HA CYS 40 HA CYS 40 -0.903 -2.512 -2.744
213 1HB CYS 40 1HB CYS 40 0.957 -4.806 -2.145
214 2HB CYS 40 2HB CYS 40 1.528 -3.175 -1.825
215 H THR 41 H THR 41 0.454 -3.909 -5.561
216 HA THR 41 HA THR 41 2.737 -2.459 -6.029
217 HB THR 41 HB THR 41 0.510 -3.481 -7.799
218 HG1 THR 41 HG1 THR 41 2.025 -4.830 -6.484
219 1HG2 THR 41 1HG2 THR 41 1.685 -1.812 -9.163
220 2HG2 THR 41 2HG2 THR 41 3.234 -2.620 -8.781
221 3HG2 THR 41 3HG2 THR 41 1.969 -3.489 -9.696
222 H ALA 42 H ALA 42 -0.667 -1.377 -6.714
223 HA ALA 42 HA ALA 42 0.197 0.969 -8.119
224 1HB ALA 42 1HB ALA 42 -2.032 -0.033 -8.465
225 2HB ALA 42 2HB ALA 42 -2.488 0.366 -6.796
226 3HB ALA 42 3HB ALA 42 -2.153 1.660 -7.952
227 H PHE 43 H PHE 43 -0.990 0.413 -4.790
228 HA PHE 43 HA PHE 43 -0.699 3.020 -3.719
229 1HB PHE 43 1HB PHE 43 -1.753 1.220 -2.492
230 2HB PHE 43 2HB PHE 43 -0.288 0.252 -2.546
231 HD1 PHE 43 HD1 PHE 43 -2.082 2.765 -0.573
232 HD2 PHE 43 HD2 PHE 43 1.689 0.831 -1.256
233 HE1 PHE 43 HE1 PHE 43 -1.272 3.511 1.643
234 HE2 PHE 43 HE2 PHE 43 2.549 1.727 0.860
235 HZ PHE 43 HZ PHE 43 1.046 3.024 2.364
236 H LEU 44 H LEU 44 1.745 0.356 -3.683
237 HA LEU 44 HA LEU 44 3.733 2.048 -2.689
238 1HB LEU 44 1HB LEU 44 4.004 -0.486 -4.345
239 2HB LEU 44 2HB LEU 44 5.286 0.280 -3.420
240 HG LEU 44 HG LEU 44 2.762 -0.904 -2.194
241 1HD1 LEU 44 1HD1 LEU 44 5.579 -1.980 -2.551
242 2HD1 LEU 44 2HD1 LEU 44 4.356 -2.696 -1.475
243 3HD1 LEU 44 3HD1 LEU 44 4.077 -2.624 -3.223
244 1HD2 LEU 44 1HD2 LEU 44 3.900 1.023 -0.929
245 2HD2 LEU 44 2HD2 LEU 44 3.707 -0.506 -0.108
246 3HD2 LEU 44 3HD2 LEU 44 5.281 -0.050 -0.810
247 H SER 45 H SER 45 2.839 1.581 -6.027
248 HA SER 45 HA SER 45 5.000 2.928 -7.303
249 1HB SER 45 1HB SER 45 3.075 1.631 -8.345
250 2HB SER 45 2HB SER 45 2.079 3.060 -8.109
251 HG SER 45 HG SER 45 2.837 3.584 -9.947
252 H GLN 46 H GLN 46 1.825 4.323 -6.185
253 HA GLN 46 HA GLN 46 2.544 7.014 -6.374
254 1HB GLN 46 1HB GLN 46 0.555 5.445 -4.697
255 2HB GLN 46 2HB GLN 46 0.745 7.171 -4.500
256 1HG GLN 46 1HG GLN 46 -1.074 6.809 -5.897
257 2HG GLN 46 2HG GLN 46 0.185 7.565 -6.861
258 1HE2 GLN 46 2HE2 GLN 46 -1.968 4.811 -6.522
259 2HE2 GLN 46 1HE2 GLN 46 -1.332 3.908 -7.880
260 H CYS 47 H CYS 47 3.155 4.765 -3.640
261 HA CYS 47 HA CYS 47 4.005 7.012 -1.989
262 1HB CYS 47 1HB CYS 47 4.356 4.155 -1.070
263 2HB CYS 47 2HB CYS 47 4.035 5.652 -0.166
264 H TYR 48 H TYR 48 5.788 4.341 -3.560
265 HA TYR 48 HA TYR 48 8.341 5.287 -2.339
266 1HB TYR 48 1HB TYR 48 7.533 2.634 -3.414
267 2HB TYR 48 2HB TYR 48 9.202 3.130 -3.160
268 HD1 TYR 48 HD1 TYR 48 9.996 3.908 -0.871
269 HD2 TYR 48 HD2 TYR 48 6.222 1.966 -1.583
270 HE1 TYR 48 HE1 TYR 48 9.927 3.183 1.503
271 HE2 TYR 48 HE2 TYR 48 6.325 1.007 0.674
272 HH TYR 48 HH TYR 48 8.942 1.550 2.984
273 H GLY 49 H GLY 49 6.668 4.696 -5.416
274 1HA GLY 49 1HA GLY 49 9.160 5.308 -6.964
275 2HA GLY 49 2HA GLY 49 7.517 5.693 -7.485
276 H GLY 50 H GLY 50 7.376 2.725 -5.867
277 1HA GLY 50 1HA GLY 50 6.540 1.541 -8.342
278 2HA GLY 50 2HA GLY 50 6.446 0.868 -6.716
279 H CYS 51 H CYS 51 9.139 0.710 -5.975
280 HA CYS 51 HA CYS 51 11.028 -0.450 -6.146
281 1HB CYS 51 1HB CYS 51 9.765 -1.926 -8.458
282 2HB CYS 51 2HB CYS 51 11.443 -2.087 -8.034
No H/Q in entry = 282
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 -8.671 -5.921 -3.593
2 H2 GLY 1 H2 GLY 1 -7.025 -6.025 -3.477
3 H3 GLY 1 H3 GLY 1 -7.894 -7.344 -3.935
4 1HA GLY 1 1HA GLY 1 -7.106 -7.495 -1.670
5 2HA GLY 1 2HA GLY 1 -8.880 -7.508 -1.767
6 H GLU 2 H GLU 2 -7.466 -6.715 0.585
7 HA GLU 2 HA GLU 2 -8.894 -4.463 1.292
8 1HB GLU 2 1HB GLU 2 -7.541 -4.420 3.319
9 2HB GLU 2 2HB GLU 2 -8.153 -6.031 2.901
10 1HG GLU 2 1HG GLU 2 -5.733 -6.093 1.669
11 2HG GLU 2 2HG GLU 2 -5.340 -5.002 2.990
12 H CYS 3 H CYS 3 -5.608 -4.565 -0.096
13 HA CYS 3 HA CYS 3 -5.153 -1.797 0.667
14 1HB CYS 3 1HB CYS 3 -3.270 -3.285 0.417
15 2HB CYS 3 2HB CYS 3 -3.669 -3.607 -1.262
16 H GLU 4 H GLU 4 -6.067 -3.478 -2.388
17 HA GLU 4 HA GLU 4 -6.466 -1.110 -3.935
18 1HB GLU 4 1HB GLU 4 -7.788 -3.859 -4.157
19 2HB GLU 4 2HB GLU 4 -7.946 -2.566 -5.340
20 1HG GLU 4 1HG GLU 4 -5.415 -2.607 -5.601
21 2HG GLU 4 2HG GLU 4 -5.422 -4.059 -4.588
22 H GLN 5 H GLN 5 -8.537 -2.722 -1.566
23 HA GLN 5 HA GLN 5 -11.003 -1.400 -2.110
24 1HB GLN 5 1HB GLN 5 -10.699 -3.405 -0.629
25 2HB GLN 5 2HB GLN 5 -9.905 -2.390 0.567
26 1HG GLN 5 1HG GLN 5 -12.777 -2.136 -0.357
27 2HG GLN 5 2HG GLN 5 -12.233 -2.875 1.143
28 1HE2 GLN 5 2HE2 GLN 5 -13.700 -0.196 0.068
29 2HE2 GLN 5 1HE2 GLN 5 -13.131 1.018 1.173
30 H CYS 6 H CYS 6 -8.366 -0.677 0.247
31 HA CYS 6 HA CYS 6 -9.371 1.742 1.184
32 1HB CYS 6 1HB CYS 6 -7.352 0.326 1.908
33 2HB CYS 6 2HB CYS 6 -6.406 1.234 0.740
34 H PHE 7 H PHE 7 -7.241 1.173 -1.619
35 HA PHE 7 HA PHE 7 -7.042 3.838 -2.574
36 1HB PHE 7 1HB PHE 7 -6.380 1.173 -3.472
37 2HB PHE 7 2HB PHE 7 -7.188 2.020 -4.774
38 HD1 PHE 7 HD1 PHE 7 -5.707 2.956 -6.287
39 HD2 PHE 7 HD2 PHE 7 -4.681 3.028 -2.089
40 HE1 PHE 7 HE1 PHE 7 -3.589 4.149 -6.813
41 HE2 PHE 7 HE2 PHE 7 -2.589 4.166 -2.627
42 HZ PHE 7 HZ PHE 7 -2.035 4.778 -4.971
43 H SER 8 H SER 8 -9.559 1.370 -3.271
44 HA SER 8 HA SER 8 -11.066 3.036 -5.061
45 1HB SER 8 1HB SER 8 -11.977 0.643 -3.405
46 2HB SER 8 2HB SER 8 -12.799 1.336 -4.809
47 HG SER 8 HG SER 8 -10.315 0.001 -4.692
48 H ASP 9 H ASP 9 -10.737 3.140 -1.620
49 HA ASP 9 HA ASP 9 -13.144 4.876 -1.389
50 1HB ASP 9 1HB ASP 9 -12.075 2.798 0.314
51 2HB ASP 9 2HB ASP 9 -12.011 4.322 1.173
52 H GLY 10 H GLY 10 -10.752 5.563 -2.815
53 1HA GLY 10 1HA GLY 10 -10.469 8.241 -1.723
54 2HA GLY 10 2HA GLY 10 -9.918 7.636 -3.285
55 H GLY 11 H GLY 11 -8.642 5.353 -1.398
56 1HA GLY 11 1HA GLY 11 -6.526 4.893 -0.702
57 2HA GLY 11 2HA GLY 11 -6.576 6.465 0.099
58 H ASP 12 H ASP 12 -4.583 7.228 -0.329
59 HA ASP 12 HA ASP 12 -3.616 7.482 -3.112
60 1HB ASP 12 1HB ASP 12 -2.301 9.499 -1.969
61 2HB ASP 12 2HB ASP 12 -3.979 9.730 -2.424
62 H CYS 13 H CYS 13 -2.307 7.713 0.150
63 HA CYS 13 HA CYS 13 -1.717 5.133 0.381
64 1HB CYS 13 1HB CYS 13 0.315 4.769 -0.380
65 2HB CYS 13 2HB CYS 13 0.411 6.447 -0.906
66 H THR 14 H THR 14 -1.080 8.455 1.295
67 HA THR 14 HA THR 14 -0.382 8.147 3.964
68 HB THR 14 HB THR 14 -1.881 10.519 2.789
69 HG1 THR 14 HG1 THR 14 0.637 10.947 2.413
70 1HG2 THR 14 1HG2 THR 14 0.403 10.249 4.801
71 2HG2 THR 14 2HG2 THR 14 -0.217 11.788 4.169
72 3HG2 THR 14 3HG2 THR 14 -1.272 10.751 5.129
73 H THR 15 H THR 15 -3.649 8.685 2.512
74 HA THR 15 HA THR 15 -4.983 8.419 5.085
75 HB THR 15 HB THR 15 -5.478 9.892 3.001
76 HG1 THR 15 HG1 THR 15 -6.917 9.194 5.031
77 1HG2 THR 15 1HG2 THR 15 -5.875 8.300 1.231
78 2HG2 THR 15 2HG2 THR 15 -7.293 7.660 2.099
79 3HG2 THR 15 3HG2 THR 15 -7.247 9.333 1.548
80 H CYS 16 H CYS 16 -3.439 6.135 4.598
81 HA CYS 16 HA CYS 16 -5.332 3.848 4.710
82 1HB CYS 16 1HB CYS 16 -3.418 4.234 2.405
83 2HB CYS 16 2HB CYS 16 -3.958 2.641 2.933
84 H PHE 17 H PHE 17 -1.823 5.010 4.603
85 HA PHE 17 HA PHE 17 -0.868 2.616 5.664
86 1HB PHE 17 1HB PHE 17 0.607 4.358 4.791
87 2HB PHE 17 2HB PHE 17 0.273 5.346 6.214
88 HD1 PHE 17 HD1 PHE 17 2.048 5.282 7.855
89 HD2 PHE 17 HD2 PHE 17 1.131 1.734 5.559
90 HE1 PHE 17 HE1 PHE 17 3.793 3.998 9.079
91 HE2 PHE 17 HE2 PHE 17 2.834 0.459 6.853
92 HZ PHE 17 HZ PHE 17 4.162 1.575 8.556
93 H ASN 18 H ASN 18 -2.235 5.345 7.498
94 HA ASN 18 HA ASN 18 -2.926 5.563 9.651
95 1HB ASN 18 1HB ASN 18 -4.169 3.372 8.761
96 2HB ASN 18 2HB ASN 18 -3.054 2.626 9.938
97 1HD2 ASN 18 2HD2 ASN 18 -6.144 3.132 9.825
98 2HD2 ASN 18 1HD2 ASN 18 -6.518 4.140 11.212
99 H ASN 19 H ASN 19 -0.143 5.344 9.217
100 HA ASN 19 HA ASN 19 1.769 4.940 10.068
101 1HB ASN 19 1HB ASN 19 1.008 6.558 11.601
102 2HB ASN 19 2HB ASN 19 0.276 5.331 12.653
103 1HD2 ASN 19 2HD2 ASN 19 3.561 6.099 11.229
104 2HD2 ASN 19 1HD2 ASN 19 4.389 5.588 12.701
105 H GLY 20 H GLY 20 0.227 2.390 9.629
106 1HA GLY 20 1HA GLY 20 2.254 0.706 10.908
107 2HA GLY 20 2HA GLY 20 1.565 0.494 9.314
108 H THR 21 H THR 21 -1.179 1.139 10.598
109 HA THR 21 HA THR 21 -1.721 -1.682 11.324
110 HB THR 21 HB THR 21 -1.576 -0.061 13.262
111 HG1 THR 21 HG1 THR 21 -3.038 -1.213 14.332
112 1HG2 THR 21 1HG2 THR 21 -2.978 1.643 12.111
113 2HG2 THR 21 2HG2 THR 21 -4.361 0.537 12.254
114 3HG2 THR 21 3HG2 THR 21 -3.576 1.194 13.715
115 H GLY 22 H GLY 22 -2.107 0.539 8.932
116 1HA GLY 22 1HA GLY 22 -3.812 1.043 7.455
117 2HA GLY 22 2HA GLY 22 -4.955 0.091 8.395
118 HA PRO 23 HA PRO 23 -5.049 -3.117 5.753
119 1HB PRO 23 1HB PRO 23 -5.845 -2.383 3.202
120 2HB PRO 23 2HB PRO 23 -6.883 -2.380 4.655
121 1HG PRO 23 1HG PRO 23 -5.571 -0.034 3.300
122 2HG PRO 23 2HG PRO 23 -7.128 -0.132 4.178
123 1HD PRO 23 1HD PRO 23 -4.680 0.824 5.095
124 2HD PRO 23 2HD PRO 23 -6.047 0.461 6.135
125 H CYS 24 H CYS 24 -3.159 -0.769 3.784
126 HA CYS 24 HA CYS 24 -1.837 -2.951 2.324
127 1HB CYS 24 1HB CYS 24 -2.477 -0.375 1.601
128 2HB CYS 24 2HB CYS 24 -0.802 -0.166 2.091
129 H ALA 25 H ALA 25 -1.407 -1.865 5.424
130 HA ALA 25 HA ALA 25 1.027 -0.591 5.523
131 1HB ALA 25 1HB ALA 25 -0.243 -2.365 7.628
132 2HB ALA 25 2HB ALA 25 -0.540 -0.615 7.372
133 3HB ALA 25 3HB ALA 25 1.041 -1.183 7.916
134 H ASN 26 H ASN 26 0.672 -4.202 5.626
135 HA ASN 26 HA ASN 26 3.491 -4.443 6.347
136 1HB ASN 26 1HB ASN 26 1.606 -6.569 5.238
137 2HB ASN 26 2HB ASN 26 3.252 -6.848 5.798
138 1HD2 ASN 26 2HD2 ASN 26 -0.034 -6.085 6.857
139 2HD2 ASN 26 1HD2 ASN 26 0.264 -6.463 8.543
140 H CYS 27 H CYS 27 1.937 -3.691 3.417
141 HA CYS 27 HA CYS 27 3.972 -4.708 1.575
142 1HB CYS 27 1HB CYS 27 1.769 -2.719 1.010
143 2HB CYS 27 2HB CYS 27 2.892 -3.445 -0.094
144 H LEU 28 H LEU 28 4.381 -2.579 4.050
145 HA LEU 28 HA LEU 28 5.885 -0.565 2.457
146 1HB LEU 28 1HB LEU 28 4.754 -0.425 5.285
147 2HB LEU 28 2HB LEU 28 5.713 0.796 4.547
148 HG LEU 28 HG LEU 28 2.979 0.675 4.632
149 1HD1 LEU 28 1HD1 LEU 28 4.353 2.665 4.360
150 2HD1 LEU 28 2HD1 LEU 28 4.619 2.274 2.658
151 3HD1 LEU 28 3HD1 LEU 28 2.982 2.672 3.240
152 1HD2 LEU 28 1HD2 LEU 28 2.695 -0.945 2.875
153 2HD2 LEU 28 2HD2 LEU 28 2.003 0.587 2.504
154 3HD2 LEU 28 3HD2 LEU 28 3.572 0.133 1.749
155 H ALA 29 H ALA 29 6.074 -1.963 5.738
156 HA ALA 29 HA ALA 29 8.480 -0.937 6.375
157 1HB ALA 29 1HB ALA 29 8.636 -2.708 8.118
158 2HB ALA 29 2HB ALA 29 7.331 -3.606 7.304
159 3HB ALA 29 3HB ALA 29 7.018 -1.995 7.999
160 H GLY 30 H GLY 30 8.080 -4.183 4.916
161 1HA GLY 30 1HA GLY 30 10.357 -5.466 4.748
162 2HA GLY 30 2HA GLY 30 10.831 -4.000 3.850
163 H TYR 31 H TYR 31 9.892 -3.582 1.821
164 HA TYR 31 HA TYR 31 7.775 -5.467 0.873
165 1HB TYR 31 1HB TYR 31 6.834 -3.584 0.041
166 2HB TYR 31 2HB TYR 31 7.426 -3.037 1.582
167 HD1 TYR 31 HD1 TYR 31 6.503 -1.393 -0.628
168 HD2 TYR 31 HD2 TYR 31 10.437 -2.890 0.000
169 HE1 TYR 31 HE1 TYR 31 7.394 0.506 -1.970
170 HE2 TYR 31 HE2 TYR 31 11.372 -1.077 -1.423
171 HH TYR 31 HH TYR 31 10.847 0.870 -2.801
172 HA PRO 32 HA PRO 32 11.112 -5.418 -2.356
173 1HB PRO 32 1HB PRO 32 12.720 -7.596 -2.012
174 2HB PRO 32 2HB PRO 32 12.884 -6.143 -0.990
175 1HG PRO 32 1HG PRO 32 11.306 -8.670 -0.354
176 2HG PRO 32 2HG PRO 32 12.547 -7.864 0.657
177 1HD PRO 32 1HD PRO 32 9.871 -7.354 0.997
178 2HD PRO 32 2HD PRO 32 11.134 -6.099 1.195
179 H ALA 33 H ALA 33 8.512 -7.186 -1.617
180 HA ALA 33 HA ALA 33 8.391 -8.451 -4.291
181 1HB ALA 33 1HB ALA 33 6.758 -10.101 -3.331
182 2HB ALA 33 2HB ALA 33 8.421 -10.335 -2.787
183 3HB ALA 33 3HB ALA 33 7.222 -9.535 -1.710
184 H GLY 34 H GLY 34 7.122 -6.134 -2.007
185 1HA GLY 34 1HA GLY 34 5.127 -5.008 -1.882
186 2HA GLY 34 2HA GLY 34 4.349 -6.432 -2.563
187 H CYS 35 H CYS 35 6.992 -4.744 -4.231
188 HA CYS 35 HA CYS 35 5.696 -3.073 -6.000
189 1HB CYS 35 1HB CYS 35 7.898 -4.705 -7.068
190 2HB CYS 35 2HB CYS 35 7.817 -2.964 -6.925
191 H SER 36 H SER 36 5.612 -6.640 -5.934
192 HA SER 36 HA SER 36 4.644 -6.781 -8.679
193 1HB SER 36 1HB SER 36 5.773 -8.806 -8.697
194 2HB SER 36 2HB SER 36 6.870 -7.659 -7.936
195 HG SER 36 HG SER 36 5.999 -8.635 -5.880
196 H ASN 37 H ASN 37 3.743 -7.088 -5.438
197 HA ASN 37 HA ASN 37 1.612 -9.140 -5.829
198 1HB ASN 37 1HB ASN 37 2.810 -7.809 -3.452
199 2HB ASN 37 2HB ASN 37 1.094 -7.632 -3.447
200 1HD2 ASN 37 2HD2 ASN 37 -0.262 -9.496 -3.922
201 2HD2 ASN 37 1HD2 ASN 37 0.148 -11.022 -3.201
202 H SER 38 H SER 38 0.175 -8.250 -7.431
203 HA SER 38 HA SER 38 0.050 -5.507 -7.936
204 1HB SER 38 1HB SER 38 -1.955 -6.011 -9.292
205 2HB SER 38 2HB SER 38 -0.470 -6.895 -9.645
206 HG SER 38 HG SER 38 -2.810 -7.800 -8.375
207 H ASP 39 H ASP 39 -1.814 -7.364 -5.600
208 HA ASP 39 HA ASP 39 -3.889 -5.606 -4.959
209 1HB ASP 39 1HB ASP 39 -3.591 -7.842 -4.017
210 2HB ASP 39 2HB ASP 39 -2.174 -7.349 -3.101
211 H CYS 40 H CYS 40 -0.467 -5.361 -4.219
212 HA CYS 40 HA CYS 40 -0.847 -2.953 -2.526
213 1HB CYS 40 1HB CYS 40 1.247 -5.158 -2.581
214 2HB CYS 40 2HB CYS 40 1.589 -3.586 -1.835
215 H THR 41 H THR 41 0.809 -4.234 -5.433
216 HA THR 41 HA THR 41 2.696 -2.511 -6.009
217 HB THR 41 HB THR 41 0.522 -3.596 -7.794
218 HG1 THR 41 HG1 THR 41 2.175 -5.173 -8.166
219 1HG2 THR 41 1HG2 THR 41 1.765 -1.898 -9.059
220 2HG2 THR 41 2HG2 THR 41 3.274 -2.754 -8.681
221 3HG2 THR 41 3HG2 THR 41 1.989 -3.567 -9.630
222 H ALA 42 H ALA 42 -0.694 -1.665 -7.193
223 HA ALA 42 HA ALA 42 0.232 0.846 -8.172
224 1HB ALA 42 1HB ALA 42 -1.845 -0.229 -8.969
225 2HB ALA 42 2HB ALA 42 -2.189 1.396 -8.327
226 3HB ALA 42 3HB ALA 42 -2.589 -0.032 -7.360
227 H PHE 43 H PHE 43 -0.880 -0.020 -4.917
228 HA PHE 43 HA PHE 43 -1.072 2.723 -3.967
229 1HB PHE 43 1HB PHE 43 -2.143 1.003 -2.664
230 2HB PHE 43 2HB PHE 43 -0.650 0.069 -2.585
231 HD1 PHE 43 HD1 PHE 43 1.310 0.822 -1.385
232 HD2 PHE 43 HD2 PHE 43 -2.613 2.425 -0.721
233 HE1 PHE 43 HE1 PHE 43 2.090 1.763 0.736
234 HE2 PHE 43 HE2 PHE 43 -1.879 3.165 1.544
235 HZ PHE 43 HZ PHE 43 0.498 2.872 2.253
236 H LEU 44 H LEU 44 1.522 0.186 -3.754
237 HA LEU 44 HA LEU 44 3.362 1.933 -2.698
238 1HB LEU 44 1HB LEU 44 3.889 -0.503 -4.446
239 2HB LEU 44 2HB LEU 44 5.085 0.300 -3.442
240 HG LEU 44 HG LEU 44 2.579 -1.087 -2.388
241 1HD1 LEU 44 1HD1 LEU 44 5.483 -1.928 -2.580
242 2HD1 LEU 44 2HD1 LEU 44 4.288 -2.739 -1.551
243 3HD1 LEU 44 3HD1 LEU 44 4.042 -2.659 -3.306
244 1HD2 LEU 44 1HD2 LEU 44 3.398 0.837 -0.920
245 2HD2 LEU 44 2HD2 LEU 44 3.309 -0.766 -0.222
246 3HD2 LEU 44 3HD2 LEU 44 4.876 -0.092 -0.722
247 H SER 45 H SER 45 2.686 1.387 -6.160
248 HA SER 45 HA SER 45 4.720 2.632 -7.461
249 1HB SER 45 1HB SER 45 1.733 2.309 -7.844
250 2HB SER 45 2HB SER 45 2.699 3.020 -9.097
251 HG SER 45 HG SER 45 2.711 0.837 -9.493
252 H GLN 46 H GLN 46 1.992 4.249 -5.728
253 HA GLN 46 HA GLN 46 3.238 6.876 -6.251
254 1HB GLN 46 1HB GLN 46 0.528 5.928 -5.215
255 2HB GLN 46 2HB GLN 46 1.094 7.592 -5.032
256 1HG GLN 46 1HG GLN 46 -0.128 7.668 -7.013
257 2HG GLN 46 2HG GLN 46 1.571 7.623 -7.502
258 1HE2 GLN 46 2HE2 GLN 46 -1.523 5.873 -7.640
259 2HE2 GLN 46 1HE2 GLN 46 -0.892 4.655 -8.750
260 H CYS 47 H CYS 47 2.465 4.696 -3.516
261 HA CYS 47 HA CYS 47 3.025 6.516 -1.435
262 1HB CYS 47 1HB CYS 47 2.011 4.113 -1.418
263 2HB CYS 47 2HB CYS 47 3.670 3.556 -1.320
264 H TYR 48 H TYR 48 5.154 4.568 -3.390
265 HA TYR 48 HA TYR 48 7.626 5.461 -1.991
266 1HB TYR 48 1HB TYR 48 6.805 2.767 -3.044
267 2HB TYR 48 2HB TYR 48 8.480 3.222 -2.881
268 HD1 TYR 48 HD1 TYR 48 9.411 3.867 -0.622
269 HD2 TYR 48 HD2 TYR 48 5.544 2.078 -1.170
270 HE1 TYR 48 HE1 TYR 48 9.488 3.024 1.721
271 HE2 TYR 48 HE2 TYR 48 5.675 1.084 1.104
272 HH TYR 48 HH TYR 48 8.463 1.526 3.231
273 H GLY 49 H GLY 49 6.435 3.899 -5.021
274 1HA GLY 49 1HA GLY 49 8.606 5.176 -6.524
275 2HA GLY 49 2HA GLY 49 6.974 5.617 -7.011
276 H GLY 50 H GLY 50 7.291 2.347 -5.787
277 1HA GLY 50 1HA GLY 50 6.947 1.190 -8.473
278 2HA GLY 50 2HA GLY 50 6.788 0.383 -6.918
279 H CYS 51 H CYS 51 8.639 -0.380 -5.854
280 HA CYS 51 HA CYS 51 11.331 -0.042 -6.620
281 1HB CYS 51 1HB CYS 51 11.368 -2.549 -5.631
282 2HB CYS 51 2HB CYS 51 11.402 -1.068 -4.702
No H/Q in entry = 282
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 -8.707 -6.384 -3.319
2 H2 GLY 1 H2 GLY 1 -7.120 -5.942 -3.417
3 H3 GLY 1 H3 GLY 1 -7.580 -7.428 -3.937
4 1HA GLY 1 1HA GLY 1 -6.453 -7.512 -1.813
5 2HA GLY 1 2HA GLY 1 -8.123 -8.112 -1.726
6 H GLU 2 H GLU 2 -6.552 -7.031 0.516
7 HA GLU 2 HA GLU 2 -8.568 -5.294 1.535
8 1HB GLU 2 1HB GLU 2 -7.096 -5.005 3.516
9 2HB GLU 2 2HB GLU 2 -7.754 -6.608 3.168
10 1HG GLU 2 1HG GLU 2 -5.667 -7.291 2.191
11 2HG GLU 2 2HG GLU 2 -4.915 -5.715 2.502
12 H CYS 3 H CYS 3 -5.357 -4.758 0.180
13 HA CYS 3 HA CYS 3 -5.056 -1.995 1.041
14 1HB CYS 3 1HB CYS 3 -3.158 -3.389 0.516
15 2HB CYS 3 2HB CYS 3 -3.700 -3.577 -1.152
16 H GLU 4 H GLU 4 -6.016 -3.635 -2.104
17 HA GLU 4 HA GLU 4 -6.735 -1.312 -3.499
18 1HB GLU 4 1HB GLU 4 -7.702 -4.176 -3.641
19 2HB GLU 4 2HB GLU 4 -8.402 -2.922 -4.673
20 1HG GLU 4 1HG GLU 4 -6.341 -2.366 -5.659
21 2HG GLU 4 2HG GLU 4 -5.413 -3.399 -4.581
22 H GLN 5 H GLN 5 -8.681 -3.077 -1.058
23 HA GLN 5 HA GLN 5 -11.077 -1.604 -1.684
24 1HB GLN 5 1HB GLN 5 -10.813 -3.827 -0.387
25 2HB GLN 5 2HB GLN 5 -10.488 -2.824 1.021
26 1HG GLN 5 1HG GLN 5 -12.839 -3.419 0.985
27 2HG GLN 5 2HG GLN 5 -12.733 -1.700 0.644
28 1HE2 GLN 5 2HE2 GLN 5 -14.068 -1.051 -1.114
29 2HE2 GLN 5 1HE2 GLN 5 -14.387 -2.068 -2.509
30 H CYS 6 H CYS 6 -8.182 -0.721 0.037
31 HA CYS 6 HA CYS 6 -9.380 1.535 1.482
32 1HB CYS 6 1HB CYS 6 -7.291 0.257 2.091
33 2HB CYS 6 2HB CYS 6 -6.454 1.085 0.796
34 H PHE 7 H PHE 7 -7.330 1.050 -1.419
35 HA PHE 7 HA PHE 7 -7.409 3.676 -2.424
36 1HB PHE 7 1HB PHE 7 -6.764 0.974 -3.384
37 2HB PHE 7 2HB PHE 7 -7.578 1.882 -4.638
38 HD1 PHE 7 HD1 PHE 7 -6.664 4.064 -5.439
39 HD2 PHE 7 HD2 PHE 7 -4.586 1.677 -2.506
40 HE1 PHE 7 HE1 PHE 7 -4.626 5.376 -5.832
41 HE2 PHE 7 HE2 PHE 7 -2.574 3.065 -2.860
42 HZ PHE 7 HZ PHE 7 -2.534 4.860 -4.541
43 H SER 8 H SER 8 -9.804 1.098 -2.697
44 HA SER 8 HA SER 8 -11.595 2.253 -4.528
45 1HB SER 8 1HB SER 8 -11.480 -0.017 -2.865
46 2HB SER 8 2HB SER 8 -12.914 0.829 -2.302
47 HG SER 8 HG SER 8 -13.788 0.677 -4.246
48 H ASP 9 H ASP 9 -11.011 3.068 -1.089
49 HA ASP 9 HA ASP 9 -13.366 4.905 -1.168
50 1HB ASP 9 1HB ASP 9 -12.457 3.118 0.776
51 2HB ASP 9 2HB ASP 9 -11.910 4.666 1.372
52 H GLY 10 H GLY 10 -10.755 5.306 -2.590
53 1HA GLY 10 1HA GLY 10 -10.905 8.170 -2.130
54 2HA GLY 10 2HA GLY 10 -10.052 7.345 -3.433
55 H GLY 11 H GLY 11 -8.656 5.786 -0.897
56 1HA GLY 11 1HA GLY 11 -6.745 6.119 0.299
57 2HA GLY 11 2HA GLY 11 -6.832 7.866 -0.011
58 H ASP 12 H ASP 12 -4.490 7.693 -0.339
59 HA ASP 12 HA ASP 12 -3.658 6.570 -2.987
60 1HB ASP 12 1HB ASP 12 -1.857 8.426 -2.872
61 2HB ASP 12 2HB ASP 12 -3.483 8.821 -3.392
62 H CYS 13 H CYS 13 -1.935 7.946 -0.232
63 HA CYS 13 HA CYS 13 -1.009 5.330 0.670
64 1HB CYS 13 1HB CYS 13 0.765 5.997 -0.946
65 2HB CYS 13 2HB CYS 13 1.063 7.453 0.014
66 H THR 14 H THR 14 -1.439 8.828 1.080
67 HA THR 14 HA THR 14 -0.676 9.121 3.773
68 HB THR 14 HB THR 14 -2.933 10.474 2.203
69 HG1 THR 14 HG1 THR 14 -1.504 11.537 1.158
70 1HG2 THR 14 1HG2 THR 14 -1.195 11.499 4.494
71 2HG2 THR 14 2HG2 THR 14 -2.410 12.438 3.594
72 3HG2 THR 14 3HG2 THR 14 -2.923 11.078 4.596
73 H THR 15 H THR 15 -4.037 8.565 2.373
74 HA THR 15 HA THR 15 -5.082 8.070 4.904
75 HB THR 15 HB THR 15 -5.891 8.175 1.957
76 HG1 THR 15 HG1 THR 15 -5.651 10.239 2.115
77 1HG2 THR 15 1HG2 THR 15 -7.649 8.898 4.284
78 2HG2 THR 15 2HG2 THR 15 -7.973 9.117 2.544
79 3HG2 THR 15 3HG2 THR 15 -7.847 7.487 3.210
80 H CYS 16 H CYS 16 -3.260 5.874 3.978
81 HA CYS 16 HA CYS 16 -5.048 3.501 4.338
82 1HB CYS 16 1HB CYS 16 -3.424 4.071 1.813
83 2HB CYS 16 2HB CYS 16 -3.955 2.457 2.286
84 H PHE 17 H PHE 17 -1.859 4.983 4.749
85 HA PHE 17 HA PHE 17 -0.754 2.327 5.403
86 1HB PHE 17 1HB PHE 17 0.683 4.105 4.464
87 2HB PHE 17 2HB PHE 17 0.345 5.104 5.893
88 HD1 PHE 17 HD1 PHE 17 1.217 1.472 5.416
89 HD2 PHE 17 HD2 PHE 17 2.301 5.220 7.219
90 HE1 PHE 17 HE1 PHE 17 2.938 0.307 6.806
91 HE2 PHE 17 HE2 PHE 17 4.007 4.091 8.561
92 HZ PHE 17 HZ PHE 17 4.361 1.607 8.335
93 H ASN 18 H ASN 18 -2.179 5.123 7.077
94 HA ASN 18 HA ASN 18 -2.892 5.519 9.138
95 1HB ASN 18 1HB ASN 18 -4.207 3.321 8.420
96 2HB ASN 18 2HB ASN 18 -3.181 2.626 9.704
97 1HD2 ASN 18 2HD2 ASN 18 -6.158 2.802 9.755
98 2HD2 ASN 18 1HD2 ASN 18 -6.525 3.915 11.036
99 H ASN 19 H ASN 19 -0.217 5.461 8.863
100 HA ASN 19 HA ASN 19 1.728 4.705 9.399
101 1HB ASN 19 1HB ASN 19 1.217 6.696 10.861
102 2HB ASN 19 2HB ASN 19 1.135 5.559 12.223
103 1HD2 ASN 19 2HD2 ASN 19 3.161 4.924 13.135
104 2HD2 ASN 19 1HD2 ASN 19 4.702 5.203 12.351
105 H GLY 20 H GLY 20 0.830 2.452 8.941
106 1HA GLY 20 1HA GLY 20 2.318 0.763 10.782
107 2HA GLY 20 2HA GLY 20 1.765 0.373 9.168
108 H THR 21 H THR 21 -1.030 1.554 10.523
109 HA THR 21 HA THR 21 -1.888 -1.040 11.656
110 HB THR 21 HB THR 21 -2.287 1.781 12.145
111 HG1 THR 21 HG1 THR 21 -1.208 -0.042 13.532
112 1HG2 THR 21 1HG2 THR 21 -4.527 1.351 11.699
113 2HG2 THR 21 2HG2 THR 21 -4.539 -0.043 12.812
114 3HG2 THR 21 3HG2 THR 21 -4.307 1.612 13.432
115 H GLY 22 H GLY 22 -1.930 0.737 8.729
116 1HA GLY 22 1HA GLY 22 -3.411 1.044 7.040
117 2HA GLY 22 2HA GLY 22 -4.739 0.548 8.105
118 HA PRO 23 HA PRO 23 -4.922 -3.282 5.877
119 1HB PRO 23 1HB PRO 23 -5.932 -2.718 3.403
120 2HB PRO 23 2HB PRO 23 -6.911 -2.578 4.891
121 1HG PRO 23 1HG PRO 23 -5.569 -0.413 3.285
122 2HG PRO 23 2HG PRO 23 -7.145 -0.355 4.105
123 1HD PRO 23 1HD PRO 23 -4.756 0.672 5.052
124 2HD PRO 23 2HD PRO 23 -6.134 0.364 6.077
125 H CYS 24 H CYS 24 -3.710 -0.701 3.746
126 HA CYS 24 HA CYS 24 -1.816 -2.291 2.244
127 1HB CYS 24 1HB CYS 24 -2.284 0.675 2.612
128 2HB CYS 24 2HB CYS 24 -1.185 -0.030 1.424
129 H ALA 25 H ALA 25 -1.460 -2.300 5.359
130 HA ALA 25 HA ALA 25 0.831 -0.482 5.733
131 1HB ALA 25 1HB ALA 25 -0.492 -2.401 7.664
132 2HB ALA 25 2HB ALA 25 -0.659 -0.617 7.594
133 3HB ALA 25 3HB ALA 25 0.885 -1.363 8.036
134 H ASN 26 H ASN 26 0.301 -4.043 5.625
135 HA ASN 26 HA ASN 26 3.115 -4.581 6.054
136 1HB ASN 26 1HB ASN 26 0.808 -6.266 5.065
137 2HB ASN 26 2HB ASN 26 2.464 -6.869 5.057
138 1HD2 ASN 26 2HD2 ASN 26 -0.320 -6.855 6.928
139 2HD2 ASN 26 1HD2 ASN 26 0.443 -7.049 8.493
140 H CYS 27 H CYS 27 1.395 -3.428 3.277
141 HA CYS 27 HA CYS 27 3.185 -4.288 1.248
142 1HB CYS 27 1HB CYS 27 1.818 -1.582 1.301
143 2HB CYS 27 2HB CYS 27 2.443 -2.441 -0.066
144 H LEU 28 H LEU 28 3.900 -2.077 3.941
145 HA LEU 28 HA LEU 28 6.050 -0.754 2.463
146 1HB LEU 28 1HB LEU 28 4.784 -0.433 5.223
147 2HB LEU 28 2HB LEU 28 6.111 0.539 4.636
148 HG LEU 28 HG LEU 28 3.932 1.569 4.586
149 1HD1 LEU 28 1HD1 LEU 28 5.852 2.158 2.924
150 2HD1 LEU 28 2HD1 LEU 28 4.748 1.427 1.728
151 3HD1 LEU 28 3HD1 LEU 28 4.227 2.840 2.648
152 1HD2 LEU 28 1HD2 LEU 28 2.620 -0.390 3.820
153 2HD2 LEU 28 2HD2 LEU 28 2.225 1.140 3.061
154 3HD2 LEU 28 3HD2 LEU 28 3.209 -0.050 2.171
155 H ALA 29 H ALA 29 5.652 -2.379 5.634
156 HA ALA 29 HA ALA 29 8.213 -1.747 6.488
157 1HB ALA 29 1HB ALA 29 7.785 -3.418 8.311
158 2HB ALA 29 2HB ALA 29 6.350 -3.976 7.426
159 3HB ALA 29 3HB ALA 29 6.425 -2.309 8.043
160 H GLY 30 H GLY 30 7.096 -4.964 5.408
161 1HA GLY 30 1HA GLY 30 8.657 -6.807 4.961
162 2HA GLY 30 2HA GLY 30 9.857 -5.594 4.459
163 H TYR 31 H TYR 31 9.570 -4.480 2.433
164 HA TYR 31 HA TYR 31 7.464 -5.746 0.716
165 1HB TYR 31 1HB TYR 31 6.755 -3.764 -0.016
166 2HB TYR 31 2HB TYR 31 7.079 -3.272 1.639
167 HD1 TYR 31 HD1 TYR 31 10.268 -3.173 1.049
168 HD2 TYR 31 HD2 TYR 31 6.758 -1.614 -0.797
169 HE1 TYR 31 HE1 TYR 31 11.606 -1.269 0.157
170 HE2 TYR 31 HE2 TYR 31 8.019 0.300 -1.749
171 HH TYR 31 HH TYR 31 10.106 1.454 -1.545
172 HA PRO 32 HA PRO 32 11.669 -5.476 -1.229
173 1HB PRO 32 1HB PRO 32 12.581 -8.111 -1.230
174 2HB PRO 32 2HB PRO 32 12.945 -6.906 0.030
175 1HG PRO 32 1HG PRO 32 10.888 -9.111 0.067
176 2HG PRO 32 2HG PRO 32 11.920 -8.477 1.401
177 1HD PRO 32 1HD PRO 32 9.287 -7.772 1.090
178 2HD PRO 32 2HD PRO 32 10.536 -6.749 1.854
179 H ALA 33 H ALA 33 8.996 -7.615 -1.519
180 HA ALA 33 HA ALA 33 9.268 -8.003 -4.453
181 1HB ALA 33 1HB ALA 33 7.841 -9.966 -4.038
182 2HB ALA 33 2HB ALA 33 9.295 -10.031 -3.027
183 3HB ALA 33 3HB ALA 33 7.743 -9.521 -2.319
184 H GLY 34 H GLY 34 7.728 -5.825 -2.421
185 1HA GLY 34 1HA GLY 34 5.594 -4.861 -2.309
186 2HA GLY 34 2HA GLY 34 5.005 -6.453 -2.715
187 H CYS 35 H CYS 35 7.072 -4.576 -4.957
188 HA CYS 35 HA CYS 35 5.099 -3.483 -6.606
189 1HB CYS 35 1HB CYS 35 7.728 -4.747 -7.478
190 2HB CYS 35 2HB CYS 35 6.779 -3.586 -8.405
191 H SER 36 H SER 36 5.981 -6.938 -6.352
192 HA SER 36 HA SER 36 4.767 -7.660 -8.868
193 1HB SER 36 1HB SER 36 5.298 -9.868 -8.141
194 2HB SER 36 2HB SER 36 6.635 -8.801 -7.732
195 HG SER 36 HG SER 36 5.995 -8.838 -5.593
196 H ASN 37 H ASN 37 3.673 -6.974 -5.688
197 HA ASN 37 HA ASN 37 1.339 -8.765 -5.754
198 1HB ASN 37 1HB ASN 37 2.967 -7.527 -3.633
199 2HB ASN 37 2HB ASN 37 1.297 -7.121 -3.418
200 1HD2 ASN 37 2HD2 ASN 37 -0.285 -8.660 -2.980
201 2HD2 ASN 37 1HD2 ASN 37 0.064 -10.321 -2.655
202 H SER 38 H SER 38 0.154 -7.806 -7.508
203 HA SER 38 HA SER 38 -0.176 -5.167 -8.089
204 1HB SER 38 1HB SER 38 -0.785 -7.009 -9.501
205 2HB SER 38 2HB SER 38 -2.173 -7.403 -8.458
206 HG SER 38 HG SER 38 -3.166 -5.596 -9.041
207 H ASP 39 H ASP 39 -1.891 -6.907 -5.475
208 HA ASP 39 HA ASP 39 -3.938 -4.966 -4.942
209 1HB ASP 39 1HB ASP 39 -3.921 -7.269 -4.037
210 2HB ASP 39 2HB ASP 39 -2.542 -6.875 -3.014
211 H CYS 40 H CYS 40 -0.520 -5.024 -4.171
212 HA CYS 40 HA CYS 40 -0.620 -2.646 -2.389
213 1HB CYS 40 1HB CYS 40 1.520 -4.766 -2.945
214 2HB CYS 40 2HB CYS 40 1.828 -3.282 -2.073
215 H THR 41 H THR 41 0.372 -3.861 -5.595
216 HA THR 41 HA THR 41 2.557 -2.329 -6.023
217 HB THR 41 HB THR 41 0.437 -3.302 -7.937
218 HG1 THR 41 HG1 THR 41 2.652 -4.705 -8.046
219 1HG2 THR 41 1HG2 THR 41 1.885 -1.721 -9.137
220 2HG2 THR 41 2HG2 THR 41 3.312 -2.662 -8.618
221 3HG2 THR 41 3HG2 THR 41 2.040 -3.421 -9.646
222 H ALA 42 H ALA 42 -0.822 -1.269 -7.016
223 HA ALA 42 HA ALA 42 0.222 1.137 -8.196
224 1HB ALA 42 1HB ALA 42 -2.040 0.153 -8.692
225 2HB ALA 42 2HB ALA 42 -2.583 0.713 -7.086
226 3HB ALA 42 3HB ALA 42 -2.062 1.880 -8.308
227 H PHE 43 H PHE 43 -0.849 0.362 -4.903
228 HA PHE 43 HA PHE 43 -0.667 2.965 -3.752
229 1HB PHE 43 1HB PHE 43 -1.715 1.031 -2.609
230 2HB PHE 43 2HB PHE 43 -0.198 0.179 -2.643
231 HD1 PHE 43 HD1 PHE 43 -2.151 2.573 -0.690
232 HD2 PHE 43 HD2 PHE 43 1.719 0.822 -1.343
233 HE1 PHE 43 HE1 PHE 43 -1.418 3.278 1.581
234 HE2 PHE 43 HE2 PHE 43 2.493 1.673 0.831
235 HZ PHE 43 HZ PHE 43 0.927 2.835 2.327
236 H LEU 44 H LEU 44 1.865 0.324 -3.939
237 HA LEU 44 HA LEU 44 3.792 2.060 -2.832
238 1HB LEU 44 1HB LEU 44 4.219 -0.463 -4.474
239 2HB LEU 44 2HB LEU 44 5.425 0.340 -3.516
240 HG LEU 44 HG LEU 44 2.872 -0.819 -2.337
241 1HD1 LEU 44 1HD1 LEU 44 5.641 -1.995 -2.632
242 2HD1 LEU 44 2HD1 LEU 44 4.389 -2.652 -1.544
243 3HD1 LEU 44 3HD1 LEU 44 4.121 -2.607 -3.297
244 1HD2 LEU 44 1HD2 LEU 44 3.946 1.049 -1.000
245 2HD2 LEU 44 2HD2 LEU 44 3.784 -0.487 -0.203
246 3HD2 LEU 44 3HD2 LEU 44 5.357 -0.014 -0.862
247 H SER 45 H SER 45 3.006 1.373 -6.252
248 HA SER 45 HA SER 45 4.940 2.775 -7.632
249 1HB SER 45 1HB SER 45 1.972 2.257 -7.882
250 2HB SER 45 2HB SER 45 2.803 3.185 -9.080
251 HG SER 45 HG SER 45 2.725 1.184 -9.766
252 H GLN 46 H GLN 46 2.006 3.999 -5.848
253 HA GLN 46 HA GLN 46 2.665 6.762 -6.505
254 1HB GLN 46 1HB GLN 46 0.650 5.582 -4.529
255 2HB GLN 46 2HB GLN 46 0.911 7.307 -4.792
256 1HG GLN 46 1HG GLN 46 0.465 6.872 -7.284
257 2HG GLN 46 2HG GLN 46 -0.068 5.268 -6.792
258 1HE2 GLN 46 2HE2 GLN 46 -2.240 5.491 -7.482
259 2HE2 GLN 46 1HE2 GLN 46 -3.292 6.713 -6.823
260 H CYS 47 H CYS 47 2.991 4.712 -3.562
261 HA CYS 47 HA CYS 47 3.949 6.937 -2.043
262 1HB CYS 47 1HB CYS 47 2.918 4.537 -1.347
263 2HB CYS 47 2HB CYS 47 4.625 4.197 -1.021
264 H TYR 48 H TYR 48 5.766 4.010 -3.090
265 HA TYR 48 HA TYR 48 8.338 5.219 -2.385
266 1HB TYR 48 1HB TYR 48 7.522 2.537 -3.381
267 2HB TYR 48 2HB TYR 48 9.194 3.056 -3.210
268 HD1 TYR 48 HD1 TYR 48 6.188 2.039 -1.415
269 HD2 TYR 48 HD2 TYR 48 10.079 3.807 -0.961
270 HE1 TYR 48 HE1 TYR 48 6.434 1.014 0.805
271 HE2 TYR 48 HE2 TYR 48 10.209 2.946 1.359
272 HH TYR 48 HH TYR 48 9.327 0.932 2.541
273 H GLY 49 H GLY 49 6.414 4.524 -5.299
274 1HA GLY 49 1HA GLY 49 8.675 5.391 -7.065
275 2HA GLY 49 2HA GLY 49 6.968 5.612 -7.451
276 H GLY 50 H GLY 50 7.458 2.641 -5.831
277 1HA GLY 50 1HA GLY 50 7.048 1.078 -8.273
278 2HA GLY 50 2HA GLY 50 7.056 0.498 -6.597
279 H CYS 51 H CYS 51 9.071 0.338 -5.526
280 HA CYS 51 HA CYS 51 10.951 -0.749 -5.145
281 1HB CYS 51 1HB CYS 51 10.639 -1.666 -8.013
282 2HB CYS 51 2HB CYS 51 11.908 -2.219 -6.929
No H/Q in entry = 282