Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
17204 | 2bl6 RC | 7352 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLN 22 H3 GLN 22 -8.017 -0.764 -7.344
2 H2 GLN 22 H2 GLN 22 -7.484 0.549 -6.520
3 H3 GLN 22 H1 GLN 22 -6.741 0.096 -7.915
4 HA GLN 22 HA GLN 22 -5.971 -1.942 -6.911
5 1HB GLN 22 1HB GLN 22 -5.142 0.752 -6.076
6 2HB GLN 22 2HB GLN 22 -4.796 -0.413 -4.823
7 1HG GLN 22 1HG GLN 22 -3.942 -0.712 -7.740
8 2HG GLN 22 2HG GLN 22 -2.941 -0.024 -6.465
9 1HE2 GLN 22 1HE2 GLN 22 -1.800 -2.109 -7.751
10 2HE2 GLN 22 2HE2 GLN 22 -1.879 -3.551 -6.744
11 H THR 23 H THR 23 -5.314 -2.625 -4.462
12 HA THR 23 HA THR 23 -7.879 -3.009 -2.943
13 HB THR 23 HB THR 23 -5.527 -4.908 -3.317
14 HG1 THR 23 HG1 THR 23 -6.780 -4.834 -5.145
15 1HG2 THR 23 1HG2 THR 23 -8.199 -5.380 -1.925
16 2HG2 THR 23 2HG2 THR 23 -6.970 -6.609 -2.272
17 3HG2 THR 23 3HG2 THR 23 -6.605 -5.312 -1.132
18 H CYS 24 H CYS 24 -7.767 -2.860 -0.694
19 HA CYS 24 HA CYS 24 -5.922 -1.008 0.369
20 1HB CYS 24 1HB CYS 24 -8.312 -1.602 1.100
21 2HB CYS 24 2HB CYS 24 -7.603 -2.972 1.960
22 H TYR 25 H TYR 25 -4.284 -1.134 1.886
23 HA TYR 25 HA TYR 25 -2.674 -3.529 2.146
24 1HB TYR 25 1HB TYR 25 -1.201 -2.279 3.355
25 2HB TYR 25 2HB TYR 25 -1.877 -1.082 2.274
26 HD1 TYR 25 HD1 TYR 25 -0.835 -1.657 5.543
27 HD2 TYR 25 HD2 TYR 25 -4.128 0.144 3.408
28 HE1 TYR 25 HE1 TYR 25 -1.371 -0.267 7.534
29 HE2 TYR 25 HE2 TYR 25 -4.693 1.472 5.419
30 HH TYR 25 HH TYR 25 -2.803 1.272 8.449
31 H ASN 26 H ASN 26 -5.432 -2.341 3.915
32 HA ASN 26 HA ASN 26 -4.960 -4.340 6.104
33 1HB ASN 26 1HB ASN 26 -4.123 -2.093 6.714
34 2HB ASN 26 2HB ASN 26 -5.711 -1.399 6.385
35 1HD2 ASN 26 1HD2 ASN 26 -3.922 -3.637 8.524
36 2HD2 ASN 26 2HD2 ASN 26 -5.086 -3.530 9.835
37 H CYS 27 H CYS 27 -7.489 -2.285 4.514
38 HA CYS 27 HA CYS 27 -9.687 -3.468 5.899
39 1HB CYS 27 1HB CYS 27 -9.629 -2.153 3.144
40 2HB CYS 27 2HB CYS 27 -11.048 -2.409 4.160
41 H GLY 28 H GLY 28 -7.783 -4.639 3.220
42 1HA GLY 28 2HA GLY 28 -9.171 -7.142 2.901
43 2HA GLY 28 1HA GLY 28 -7.894 -6.496 1.867
44 H LYS 29 H LYS 29 -10.039 -4.068 1.726
45 HA LYS 29 HA LYS 29 -12.038 -5.207 -0.132
46 1HB LYS 29 1HB LYS 29 -11.657 -2.611 1.359
47 2HB LYS 29 2HB LYS 29 -12.495 -2.528 -0.171
48 1HG LYS 29 1HG LYS 29 -14.120 -2.655 1.491
49 2HG LYS 29 2HG LYS 29 -14.181 -4.159 0.585
50 1HD LYS 29 1HD LYS 29 -12.655 -3.945 3.208
51 2HD LYS 29 2HD LYS 29 -14.406 -4.165 3.188
52 1HE LYS 29 1HE LYS 29 -14.230 -6.246 1.944
53 2HE LYS 29 2HE LYS 29 -12.481 -6.052 1.781
54 1HZ LYS 29 2HZ LYS 29 -13.894 -6.372 4.371
55 2HZ LYS 29 3HZ LYS 29 -13.032 -7.541 3.618
56 3HZ LYS 29 1HZ LYS 29 -12.272 -6.200 4.179
57 HA PRO 30 HA PRO 30 -10.002 -3.423 -3.837
58 1HB PRO 30 2HB PRO 30 -12.058 -3.570 -5.589
59 2HB PRO 30 1HB PRO 30 -11.263 -5.045 -4.976
60 1HG PRO 30 1HG PRO 30 -13.819 -3.760 -3.955
61 2HG PRO 30 2HG PRO 30 -13.554 -5.473 -4.421
62 1HD PRO 30 1HD PRO 30 -13.377 -4.573 -1.833
63 2HD PRO 30 2HD PRO 30 -12.377 -5.924 -2.447
64 H GLY 31 H GLY 31 -11.219 -1.616 -5.519
65 1HA GLY 31 2HA GLY 31 -12.921 0.351 -4.355
66 2HA GLY 31 1HA GLY 31 -11.838 0.601 -5.733
67 H HIS 32 H HIS 32 -9.428 -0.066 -4.179
68 HA HIS 32 HA HIS 32 -9.235 2.218 -2.270
69 1HB HIS 32 1HB HIS 32 -8.319 -0.629 -2.179
70 2HB HIS 32 2HB HIS 32 -7.229 0.576 -1.512
71 HD1 HIS 32 HD1 HIS 32 -10.904 -0.562 -0.975
72 HD2 HIS 32 HD2 HIS 32 -7.705 1.462 0.864
73 HE1 HIS 32 HE1 HIS 32 -11.607 -0.144 1.454
74 H LEU 33 H LEU 33 -7.348 3.289 -2.058
75 HA LEU 33 HA LEU 33 -5.269 3.367 -4.121
76 1HB LEU 33 1HB LEU 33 -7.369 5.561 -3.686
77 2HB LEU 33 2HB LEU 33 -5.856 5.833 -4.535
78 HG LEU 33 HG LEU 33 -8.054 3.954 -5.486
79 1HD1 LEU 33 3HD1 LEU 33 -8.700 6.323 -5.570
80 2HD1 LEU 33 1HD1 LEU 33 -7.206 6.711 -6.451
81 3HD1 LEU 33 2HD1 LEU 33 -8.441 5.667 -7.195
82 1HD2 LEU 33 3HD2 LEU 33 -5.482 4.902 -6.839
83 2HD2 LEU 33 1HD2 LEU 33 -5.820 3.243 -6.299
84 3HD2 LEU 33 2HD2 LEU 33 -6.770 3.950 -7.610
85 H SER 34 H SER 34 -3.752 5.160 -3.565
86 HA SER 34 HA SER 34 -2.888 5.386 -0.906
87 1HB SER 34 1HB SER 34 -2.465 7.304 -3.229
88 2HB SER 34 2HB SER 34 -1.419 7.124 -1.809
89 HG SER 34 HG SER 34 -0.748 5.937 -3.751
90 H SER 35 H SER 35 -5.673 6.851 -2.082
91 HA SER 35 HA SER 35 -5.694 8.965 0.030
92 1HB SER 35 1HB SER 35 -7.357 10.098 -1.421
93 2HB SER 35 2HB SER 35 -5.775 9.913 -2.203
94 HG SER 35 HG SER 35 -7.532 9.317 -3.587
95 H GLN 36 H GLN 36 -7.125 5.979 -0.935
96 HA GLN 36 HA GLN 36 -9.652 6.360 0.548
97 1HB GLN 36 1HB GLN 36 -9.325 4.849 -1.520
98 2HB GLN 36 2HB GLN 36 -8.397 3.781 -0.466
99 1HG GLN 36 1HG GLN 36 -10.566 2.861 -0.514
100 2HG GLN 36 2HG GLN 36 -10.492 3.673 1.041
101 1HE2 GLN 36 2HE2 GLN 36 -12.041 3.562 -2.123
102 2HE2 GLN 36 1HE2 GLN 36 -13.203 4.842 -1.784
103 H CYS 37 H CYS 37 -6.487 4.821 0.911
104 HA CYS 37 HA CYS 37 -6.620 4.921 3.851
105 1HB CYS 37 1HB CYS 37 -6.179 2.433 2.163
106 2HB CYS 37 2HB CYS 37 -5.385 2.591 3.718
107 H ARG 38 H ARG 38 -4.306 4.353 4.696
108 HA ARG 38 HA ARG 38 -2.488 6.326 3.830
109 1HB ARG 38 1HB ARG 38 -1.982 3.770 5.426
110 2HB ARG 38 2HB ARG 38 -0.772 5.006 5.128
111 1HG ARG 38 1HG ARG 38 -1.403 5.721 7.130
112 2HG ARG 38 2HG ARG 38 -2.551 6.664 6.199
113 1HD ARG 38 1HD ARG 38 -3.214 3.938 7.387
114 2HD ARG 38 2HD ARG 38 -3.310 5.408 8.342
115 HE ARG 38 HE ARG 38 -4.928 6.271 6.576
116 1HH1 ARG 38 1HH2 ARG 38 -4.840 2.847 7.442
117 2HH1 ARG 38 2HH2 ARG 38 -6.540 2.665 7.095
118 1HH2 ARG 38 1HH1 ARG 38 -7.085 5.915 6.201
119 2HH2 ARG 38 2HH1 ARG 38 -7.720 4.302 6.307
120 H ALA 39 H ALA 39 -2.673 2.980 2.734
121 HA ALA 39 HA ALA 39 -1.416 3.735 0.247
122 1HB ALA 39 3HB ALA 39 -0.080 1.611 1.993
123 2HB ALA 39 1HB ALA 39 0.375 1.999 0.328
124 3HB ALA 39 2HB ALA 39 0.617 3.203 1.606
125 HA PRO 40 HA PRO 40 -3.770 -0.078 -0.899
126 1HB PRO 40 2HB PRO 40 -2.706 -0.653 -3.325
127 2HB PRO 40 1HB PRO 40 -3.780 0.760 -3.074
128 1HG PRO 40 1HG PRO 40 -0.745 0.727 -3.140
129 2HG PRO 40 2HG PRO 40 -1.858 1.814 -4.030
130 1HD PRO 40 1HD PRO 40 -0.680 2.507 -1.650
131 2HD PRO 40 2HD PRO 40 -2.309 3.078 -2.107
132 H LYS 41 H LYS 41 -3.114 -2.370 -1.467
133 HA LYS 41 HA LYS 41 -1.434 -3.450 0.454
134 1HB LYS 41 1HB LYS 41 -3.339 -4.528 -0.844
135 2HB LYS 41 2HB LYS 41 -2.224 -4.775 -2.175
136 1HG LYS 41 1HG LYS 41 -2.557 -6.811 -0.880
137 2HG LYS 41 2HG LYS 41 -0.873 -6.309 -0.791
138 1HD LYS 41 1HD LYS 41 -1.226 -5.405 1.479
139 2HD LYS 41 2HD LYS 41 -2.966 -5.766 1.363
140 1HE LYS 41 1HE LYS 41 -2.440 -8.180 1.147
141 2HE LYS 41 2HE LYS 41 -0.713 -7.818 1.267
142 1HZ LYS 41 2HZ LYS 41 -2.719 -7.251 3.391
143 2HZ LYS 41 3HZ LYS 41 -1.648 -8.481 3.417
144 3HZ LYS 41 1HZ LYS 41 -1.120 -6.940 3.507
145 H VAL 42 H VAL 42 -0.310 -2.223 -2.516
146 HA VAL 42 HA VAL 42 2.189 -3.480 -2.926
147 HB VAL 42 HB VAL 42 1.481 -0.524 -3.149
148 1HG1 VAL 42 2HG1 VAL 42 3.663 -2.147 -4.518
149 2HG1 VAL 42 3HG1 VAL 42 3.218 -0.477 -4.931
150 3HG1 VAL 42 1HG1 VAL 42 3.897 -0.829 -3.346
151 1HG2 VAL 42 1HG2 VAL 42 1.240 -2.763 -5.207
152 2HG2 VAL 42 2HG2 VAL 42 -0.107 -1.860 -4.475
153 3HG2 VAL 42 3HG2 VAL 42 1.021 -1.031 -5.542
154 H CYS 43 H CYS 43 1.208 -1.208 -0.397
155 HA CYS 43 HA CYS 43 3.764 -1.521 1.057
156 1HB CYS 43 1HB CYS 43 3.922 0.384 -0.608
157 2HB CYS 43 2HB CYS 43 2.623 1.198 0.272
158 H PHE 44 H PHE 44 3.136 0.599 2.800
159 HA PHE 44 HA PHE 44 0.446 0.183 3.960
160 1HB PHE 44 1HB PHE 44 1.196 -0.252 6.152
161 2HB PHE 44 2HB PHE 44 2.057 -1.382 5.127
162 HD1 PHE 44 HD1 PHE 44 2.331 1.296 7.558
163 HD2 PHE 44 HD2 PHE 44 4.527 -0.851 4.526
164 HE1 PHE 44 HE1 PHE 44 4.465 2.150 8.496
165 HE2 PHE 44 HE2 PHE 44 6.657 0.013 5.466
166 HZ PHE 44 HZ PHE 44 6.630 1.518 7.445
167 H LYS 45 H LYS 45 3.259 2.234 3.460
168 HA LYS 45 HA LYS 45 1.730 4.638 4.242
169 1HB LYS 45 1HB LYS 45 2.698 3.788 6.368
170 2HB LYS 45 2HB LYS 45 4.317 3.861 5.666
171 1HG LYS 45 1HG LYS 45 4.089 6.331 5.429
172 2HG LYS 45 2HG LYS 45 2.443 6.236 6.090
173 1HD LYS 45 1HD LYS 45 3.362 5.313 8.210
174 2HD LYS 45 2HD LYS 45 5.004 5.412 7.537
175 1HE LYS 45 1HE LYS 45 4.735 7.872 7.267
176 2HE LYS 45 2HE LYS 45 3.105 7.769 7.945
177 1HZ LYS 45 1HZ LYS 45 4.097 6.953 10.022
178 2HZ LYS 45 2HZ LYS 45 5.604 7.058 9.394
179 3HZ LYS 45 3HZ LYS 45 4.724 8.408 9.636
180 H CYS 46 H CYS 46 5.102 3.601 3.416
181 HA CYS 46 HA CYS 46 5.748 6.156 2.338
182 1HB CYS 46 1HB CYS 46 7.862 4.730 1.625
183 2HB CYS 46 2HB CYS 46 7.551 5.216 3.287
184 H LYS 47 H LYS 47 4.734 3.197 0.737
185 HA LYS 47 HA LYS 47 4.182 2.700 -1.430
186 1HB LYS 47 1HB LYS 47 2.247 4.021 -2.097
187 2HB LYS 47 2HB LYS 47 2.273 3.666 -0.376
188 1HG LYS 47 1HG LYS 47 3.046 5.936 0.136
189 2HG LYS 47 2HG LYS 47 3.131 6.337 -1.579
190 1HD LYS 47 1HD LYS 47 0.791 6.241 -1.831
191 2HD LYS 47 2HD LYS 47 0.530 5.402 -0.294
192 1HE LYS 47 1HE LYS 47 1.701 8.214 -0.483
193 2HE LYS 47 2HE LYS 47 -0.036 7.909 -0.363
194 1HZ LYS 47 1HZ LYS 47 1.946 7.002 1.664
195 2HZ LYS 47 2HZ LYS 47 0.939 8.287 1.828
196 3HZ LYS 47 3HZ LYS 47 0.334 6.766 1.731
197 H GLN 48 H GLN 48 6.769 4.219 -1.626
198 HA GLN 48 HA GLN 48 6.638 5.774 -4.032
199 1HB GLN 48 1HB GLN 48 9.003 4.295 -2.811
200 2HB GLN 48 2HB GLN 48 9.114 5.513 -4.072
201 1HG GLN 48 1HG GLN 48 8.204 5.936 -1.201
202 2HG GLN 48 2HG GLN 48 9.689 6.499 -1.940
203 1HE2 GLN 48 2HE2 GLN 48 6.422 7.335 -1.268
204 2HE2 GLN 48 1HE2 GLN 48 6.384 8.803 -2.252
205 HA PRO 49 HA PRO 49 5.986 3.193 -7.341
206 1HB PRO 49 2HB PRO 49 8.564 4.106 -8.633
207 2HB PRO 49 1HB PRO 49 6.933 3.958 -9.362
208 1HG PRO 49 1HG PRO 49 7.806 6.369 -8.523
209 2HG PRO 49 2HG PRO 49 6.133 5.847 -8.131
210 1HD PRO 49 1HD PRO 49 8.579 5.825 -6.364
211 2HD PRO 49 2HD PRO 49 6.898 6.301 -5.987
212 H GLY 50 H GLY 50 9.220 2.494 -6.091
213 1HA GLY 50 2HA GLY 50 10.291 0.472 -7.444
214 2HA GLY 50 1HA GLY 50 8.857 -0.366 -6.853
215 H HIS 51 H HIS 51 9.610 1.688 -4.372
216 HA HIS 51 HA HIS 51 11.945 0.597 -3.197
217 1HB HIS 51 1HB HIS 51 11.380 1.863 -1.311
218 2HB HIS 51 2HB HIS 51 10.693 2.775 -2.642
219 HD1 HIS 51 HD1 HIS 51 7.787 1.931 -2.951
220 HD2 HIS 51 HD2 HIS 51 9.860 1.393 0.680
221 HE1 HIS 51 HE1 HIS 51 6.047 1.340 -1.206
222 H PHE 52 H PHE 52 8.651 -0.630 -3.139
223 HA PHE 52 HA PHE 52 8.665 -1.960 -0.675
224 1HB PHE 52 1HB PHE 52 6.759 -3.286 -1.662
225 2HB PHE 52 2HB PHE 52 6.606 -1.543 -1.683
226 HD1 PHE 52 HD1 PHE 52 7.083 -4.548 -3.806
227 HD2 PHE 52 HD2 PHE 52 6.554 -0.264 -3.759
228 HE1 PHE 52 HE1 PHE 52 6.639 -4.569 -6.246
229 HE2 PHE 52 HE2 PHE 52 6.106 -0.295 -6.194
230 HZ PHE 52 HZ PHE 52 6.156 -2.442 -7.447
231 H SER 53 H SER 53 9.619 -3.296 -3.868
232 HA SER 53 HA SER 53 10.180 -5.933 -3.075
233 1HB SER 53 1HB SER 53 11.582 -4.264 -5.196
234 2HB SER 53 2HB SER 53 11.570 -6.037 -5.094
235 HG SER 53 HG SER 53 9.978 -5.258 -6.546
236 H LYS 54 H LYS 54 11.840 -3.216 -1.924
237 HA LYS 54 HA LYS 54 14.038 -4.918 -0.870
238 1HB LYS 54 1HB LYS 54 15.681 -3.168 -1.279
239 2HB LYS 54 2HB LYS 54 14.948 -3.712 -2.783
240 1HG LYS 54 1HG LYS 54 13.544 -1.697 -2.895
241 2HG LYS 54 2HG LYS 54 14.096 -1.185 -1.293
242 1HD LYS 54 1HD LYS 54 15.242 0.114 -2.951
243 2HD LYS 54 2HD LYS 54 16.411 -0.959 -2.168
244 1HE LYS 54 1HE LYS 54 16.242 -2.528 -4.104
245 2HE LYS 54 2HE LYS 54 15.067 -1.450 -4.870
246 1HZ LYS 54 1HZ LYS 54 16.804 0.266 -4.944
247 2HZ LYS 54 2HZ LYS 54 17.884 -0.738 -4.239
248 3HZ LYS 54 3HZ LYS 54 17.309 -1.073 -5.727
249 H GLN 55 H GLN 55 11.423 -3.562 0.183
250 HA GLN 55 HA GLN 55 12.613 -2.987 2.811
251 1HB GLN 55 1HB GLN 55 12.571 -0.765 1.577
252 2HB GLN 55 2HB GLN 55 10.811 -0.890 1.530
253 1HG GLN 55 1HG GLN 55 10.880 -1.084 4.093
254 2HG GLN 55 2HG GLN 55 12.607 -0.728 3.997
255 1HE2 GLN 55 1HE2 GLN 55 9.342 0.546 3.578
256 2HE2 GLN 55 2HE2 GLN 55 9.809 2.239 3.514
257 H CYS 56 H CYS 56 9.462 -2.740 1.081
258 HA CYS 56 HA CYS 56 8.055 -3.617 3.524
259 1HB CYS 56 1HB CYS 56 7.035 -2.299 0.975
260 2HB CYS 56 2HB CYS 56 6.109 -2.587 2.451
261 H ARG 57 H ARG 57 9.093 -5.088 0.721
262 HA ARG 57 HA ARG 57 7.350 -7.444 1.045
263 1HB ARG 57 1HB ARG 57 6.537 -5.555 -0.714
264 2HB ARG 57 2HB ARG 57 7.741 -6.293 -1.743
265 1HG ARG 57 1HG ARG 57 5.452 -7.146 -2.123
266 2HG ARG 57 2HG ARG 57 6.548 -8.441 -1.659
267 1HD ARG 57 1HD ARG 57 4.263 -8.550 -0.587
268 2HD ARG 57 2HD ARG 57 5.607 -8.601 0.534
269 HE ARG 57 HE ARG 57 5.129 -6.418 1.312
270 1HH1 ARG 57 2HH2 ARG 57 2.817 -7.208 -1.231
271 2HH1 ARG 57 1HH2 ARG 57 1.823 -5.822 -0.798
272 1HH2 ARG 57 1HH1 ARG 57 3.771 -4.746 1.749
273 2HH2 ARG 57 2HH1 ARG 57 2.325 -4.525 0.771
274 H SER 58 H SER 58 10.264 -6.692 1.353
275 HA SER 58 HA SER 58 12.028 -7.791 -0.479
276 1HB SER 58 1HB SER 58 12.225 -7.964 2.549
277 2HB SER 58 2HB SER 58 13.564 -8.068 1.390
278 HG SER 58 HG SER 58 13.301 -5.937 2.268
No H/Q in entry = 278
Start of MODEL 2
1 H1 GLN 22 H1 GLN 22 -6.944 0.796 -5.659
2 H2 GLN 22 H3 GLN 22 -7.020 0.316 -7.235
3 H3 GLN 22 H2 GLN 22 -8.080 -0.282 -6.128
4 HA GLN 22 HA GLN 22 -6.472 -1.950 -6.606
5 1HB GLN 22 1HB GLN 22 -4.662 -0.412 -7.325
6 2HB GLN 22 2HB GLN 22 -4.442 0.122 -5.660
7 1HG GLN 22 1HG GLN 22 -2.706 -1.457 -6.292
8 2HG GLN 22 2HG GLN 22 -3.689 -2.152 -5.013
9 1HE2 GLN 22 2HE2 GLN 22 -2.204 -2.949 -7.917
10 2HE2 GLN 22 1HE2 GLN 22 -3.255 -4.292 -8.349
11 H THR 23 H THR 23 -6.298 -3.505 -5.023
12 HA THR 23 HA THR 23 -7.776 -3.231 -2.724
13 HB THR 23 HB THR 23 -5.524 -5.228 -3.112
14 HG1 THR 23 HG1 THR 23 -7.090 -6.411 -4.203
15 1HG2 THR 23 1HG2 THR 23 -8.203 -5.441 -1.657
16 2HG2 THR 23 2HG2 THR 23 -7.037 -6.761 -1.885
17 3HG2 THR 23 3HG2 THR 23 -6.603 -5.381 -0.872
18 H CYS 24 H CYS 24 -7.575 -2.603 -0.712
19 HA CYS 24 HA CYS 24 -5.608 -0.969 0.318
20 1HB CYS 24 1HB CYS 24 -7.998 -1.408 1.072
21 2HB CYS 24 2HB CYS 24 -7.401 -2.844 1.903
22 H TYR 25 H TYR 25 -3.949 -1.147 1.849
23 HA TYR 25 HA TYR 25 -2.434 -3.584 2.114
24 1HB TYR 25 1HB TYR 25 -0.970 -2.423 3.412
25 2HB TYR 25 2HB TYR 25 -1.582 -1.171 2.357
26 HD1 TYR 25 HD1 TYR 25 -0.536 -1.761 5.572
27 HD2 TYR 25 HD2 TYR 25 -3.926 -0.033 3.532
28 HE1 TYR 25 HE1 TYR 25 -1.063 -0.403 7.586
29 HE2 TYR 25 HE2 TYR 25 -4.484 1.260 5.570
30 HH TYR 25 HH TYR 25 -2.510 1.112 8.541
31 H ASN 26 H ASN 26 -5.216 -2.439 3.783
32 HA ASN 26 HA ASN 26 -4.867 -4.410 6.027
33 1HB ASN 26 1HB ASN 26 -4.338 -2.160 6.755
34 2HB ASN 26 2HB ASN 26 -5.774 -1.497 5.982
35 1HD2 ASN 26 1HD2 ASN 26 -7.822 -1.679 7.039
36 2HD2 ASN 26 2HD2 ASN 26 -7.911 -2.259 8.695
37 H CYS 27 H CYS 27 -7.307 -2.493 4.205
38 HA CYS 27 HA CYS 27 -9.504 -3.759 5.527
39 1HB CYS 27 1HB CYS 27 -9.461 -1.919 3.104
40 2HB CYS 27 2HB CYS 27 -10.832 -2.229 4.174
41 H GLY 28 H GLY 28 -7.728 -4.888 2.859
42 1HA GLY 28 2HA GLY 28 -9.318 -7.151 2.351
43 2HA GLY 28 1HA GLY 28 -8.044 -6.538 1.294
44 H LYS 29 H LYS 29 -9.436 -4.006 0.745
45 HA LYS 29 HA LYS 29 -11.829 -4.878 -0.827
46 1HB LYS 29 1HB LYS 29 -12.314 -3.649 1.254
47 2HB LYS 29 2HB LYS 29 -11.322 -2.314 0.707
48 1HG LYS 29 1HG LYS 29 -13.590 -1.706 0.353
49 2HG LYS 29 2HG LYS 29 -12.913 -2.006 -1.248
50 1HD LYS 29 1HD LYS 29 -13.992 -4.245 -1.292
51 2HD LYS 29 2HD LYS 29 -14.584 -3.995 0.364
52 1HE LYS 29 1HE LYS 29 -15.874 -2.010 -0.410
53 2HE LYS 29 2HE LYS 29 -15.309 -2.287 -2.062
54 1HZ LYS 29 3HZ LYS 29 -16.963 -4.191 -0.484
55 2HZ LYS 29 1HZ LYS 29 -17.509 -3.253 -1.699
56 3HZ LYS 29 2HZ LYS 29 -16.446 -4.449 -2.013
57 HA PRO 30 HA PRO 30 -9.228 -3.592 -4.301
58 1HB PRO 30 2HB PRO 30 -11.936 -3.590 -5.635
59 2HB PRO 30 1HB PRO 30 -10.366 -4.188 -6.265
60 1HG PRO 30 1HG PRO 30 -12.142 -5.933 -5.224
61 2HG PRO 30 2HG PRO 30 -10.408 -6.065 -4.777
62 1HD PRO 30 1HD PRO 30 -12.675 -4.850 -3.198
63 2HD PRO 30 2HD PRO 30 -11.330 -5.894 -2.644
64 H GLY 31 H GLY 31 -12.151 -1.739 -3.506
65 1HA GLY 31 2HA GLY 31 -12.831 0.414 -3.927
66 2HA GLY 31 1HA GLY 31 -11.629 0.512 -5.210
67 H HIS 32 H HIS 32 -9.298 0.084 -3.543
68 HA HIS 32 HA HIS 32 -9.300 2.487 -1.782
69 1HB HIS 32 1HB HIS 32 -7.905 -0.156 -1.638
70 2HB HIS 32 2HB HIS 32 -7.054 1.257 -1.030
71 HD1 HIS 32 HD1 HIS 32 -10.428 -0.543 -0.437
72 HD2 HIS 32 HD2 HIS 32 -7.649 2.029 1.355
73 HE1 HIS 32 HE1 HIS 32 -11.212 -0.211 1.987
74 H LEU 33 H LEU 33 -7.526 3.762 -1.637
75 HA LEU 33 HA LEU 33 -5.656 4.214 -3.845
76 1HB LEU 33 1HB LEU 33 -8.002 6.063 -3.150
77 2HB LEU 33 2HB LEU 33 -6.623 6.570 -4.112
78 HG LEU 33 HG LEU 33 -8.620 4.431 -4.951
79 1HD1 LEU 33 1HD1 LEU 33 -9.587 6.686 -4.880
80 2HD1 LEU 33 2HD1 LEU 33 -8.248 7.306 -5.870
81 3HD1 LEU 33 3HD1 LEU 33 -9.391 6.121 -6.547
82 1HD2 LEU 33 1HD2 LEU 33 -6.333 5.769 -6.476
83 2HD2 LEU 33 2HD2 LEU 33 -6.392 4.063 -5.980
84 3HD2 LEU 33 3HD2 LEU 33 -7.543 4.670 -7.175
85 H SER 34 H SER 34 -4.391 6.266 -3.281
86 HA SER 34 HA SER 34 -3.371 6.465 -0.682
87 1HB SER 34 1HB SER 34 -3.590 8.677 -2.759
88 2HB SER 34 2HB SER 34 -2.400 8.571 -1.448
89 HG SER 34 HG SER 34 -1.678 7.827 -3.580
90 H SER 35 H SER 35 -6.388 7.773 -1.832
91 HA SER 35 HA SER 35 -6.741 9.623 0.454
92 1HB SER 35 1HB SER 35 -8.797 10.259 -0.808
93 2HB SER 35 2HB SER 35 -7.304 10.467 -1.737
94 HG SER 35 HG SER 35 -8.971 9.417 -2.947
95 H GLN 36 H GLN 36 -7.286 6.348 -0.092
96 HA GLN 36 HA GLN 36 -9.814 6.239 1.501
97 1HB GLN 36 1HB GLN 36 -9.488 5.148 -0.866
98 2HB GLN 36 2HB GLN 36 -8.535 3.952 0.001
99 1HG GLN 36 1HG GLN 36 -10.646 2.966 -0.038
100 2HG GLN 36 2HG GLN 36 -10.668 3.729 1.545
101 1HE2 GLN 36 2HE2 GLN 36 -12.071 3.658 -1.687
102 2HE2 GLN 36 1HE2 GLN 36 -13.277 4.904 -1.377
103 H CYS 37 H CYS 37 -6.509 4.921 1.311
104 HA CYS 37 HA CYS 37 -6.313 4.832 4.228
105 1HB CYS 37 1HB CYS 37 -5.973 2.367 2.474
106 2HB CYS 37 2HB CYS 37 -4.964 2.568 3.875
107 H ARG 38 H ARG 38 -3.982 4.361 4.815
108 HA ARG 38 HA ARG 38 -2.163 6.217 3.719
109 1HB ARG 38 1HB ARG 38 -1.657 3.685 5.340
110 2HB ARG 38 2HB ARG 38 -0.457 4.936 5.026
111 1HG ARG 38 1HG ARG 38 -1.114 6.059 6.807
112 2HG ARG 38 2HG ARG 38 -2.690 6.343 6.088
113 1HD ARG 38 1HD ARG 38 -1.941 3.864 7.707
114 2HD ARG 38 2HD ARG 38 -2.677 5.293 8.409
115 HE ARG 38 HE ARG 38 -4.009 3.178 6.987
116 1HH1 ARG 38 1HH1 ARG 38 -4.342 6.525 7.951
117 2HH1 ARG 38 2HH1 ARG 38 -6.070 6.513 7.742
118 1HH2 ARG 38 1HH2 ARG 38 -6.237 3.337 6.462
119 2HH2 ARG 38 2HH2 ARG 38 -7.090 4.745 6.985
120 H ALA 39 H ALA 39 -2.573 2.799 2.781
121 HA ALA 39 HA ALA 39 -1.412 3.411 0.204
122 1HB ALA 39 2HB ALA 39 0.667 2.952 1.489
123 2HB ALA 39 3HB ALA 39 -0.014 1.392 2.021
124 3HB ALA 39 1HB ALA 39 0.378 1.657 0.319
125 HA PRO 40 HA PRO 40 -3.659 -0.493 -0.816
126 1HB PRO 40 2HB PRO 40 -2.557 -1.100 -3.222
127 2HB PRO 40 1HB PRO 40 -3.698 0.266 -3.020
128 1HG PRO 40 1HG PRO 40 -0.665 0.361 -3.079
129 2HG PRO 40 2HG PRO 40 -1.820 1.380 -3.995
130 1HD PRO 40 1HD PRO 40 -0.664 2.177 -1.642
131 2HD PRO 40 2HD PRO 40 -2.317 2.675 -2.102
132 H LYS 41 H LYS 41 -2.921 -2.776 -1.386
133 HA LYS 41 HA LYS 41 -1.125 -3.765 0.522
134 1HB LYS 41 1HB LYS 41 -3.126 -4.867 -0.719
135 2HB LYS 41 2HB LYS 41 -1.978 -5.268 -1.981
136 1HG LYS 41 1HG LYS 41 -2.385 -7.156 -0.505
137 2HG LYS 41 2HG LYS 41 -0.698 -6.668 -0.368
138 1HD LYS 41 1HD LYS 41 -1.152 -5.551 1.774
139 2HD LYS 41 2HD LYS 41 -2.898 -5.849 1.584
140 1HE LYS 41 1HE LYS 41 -2.485 -8.284 1.674
141 2HE LYS 41 2HE LYS 41 -0.749 -7.994 1.852
142 1HZ LYS 41 1HZ LYS 41 -2.821 -7.069 3.780
143 2HZ LYS 41 2HZ LYS 41 -1.840 -8.354 4.007
144 3HZ LYS 41 3HZ LYS 41 -1.217 -6.845 3.951
145 H VAL 42 H VAL 42 -0.148 -2.413 -2.358
146 HA VAL 42 HA VAL 42 2.379 -3.637 -2.893
147 HB VAL 42 HB VAL 42 1.541 -0.707 -3.007
148 1HG1 VAL 42 3HG1 VAL 42 3.820 -2.158 -4.403
149 2HG1 VAL 42 1HG1 VAL 42 3.298 -0.495 -4.753
150 3HG1 VAL 42 2HG1 VAL 42 3.973 -0.881 -3.172
151 1HG2 VAL 42 3HG2 VAL 42 1.462 -2.870 -5.159
152 2HG2 VAL 42 1HG2 VAL 42 0.050 -2.090 -4.410
153 3HG2 VAL 42 2HG2 VAL 42 1.138 -1.143 -5.422
154 H CYS 43 H CYS 43 1.343 -1.409 -0.311
155 HA CYS 43 HA CYS 43 3.963 -1.600 1.072
156 1HB CYS 43 1HB CYS 43 3.986 0.230 -0.670
157 2HB CYS 43 2HB CYS 43 2.677 1.030 0.209
158 H PHE 44 H PHE 44 3.346 0.561 2.768
159 HA PHE 44 HA PHE 44 0.710 0.061 4.037
160 1HB PHE 44 1HB PHE 44 1.548 -0.123 6.220
161 2HB PHE 44 2HB PHE 44 2.521 -1.231 5.274
162 HD1 PHE 44 HD1 PHE 44 2.503 1.731 7.393
163 HD2 PHE 44 HD2 PHE 44 4.910 -0.526 4.612
164 HE1 PHE 44 HE1 PHE 44 4.532 2.925 8.179
165 HE2 PHE 44 HE2 PHE 44 6.935 0.672 5.404
166 HZ PHE 44 HZ PHE 44 6.751 2.402 7.178
167 H LYS 45 H LYS 45 3.265 2.284 3.158
168 HA LYS 45 HA LYS 45 1.500 4.579 3.617
169 1HB LYS 45 1HB LYS 45 2.560 4.177 5.859
170 2HB LYS 45 2HB LYS 45 4.150 4.414 5.130
171 1HG LYS 45 1HG LYS 45 3.516 6.747 4.533
172 2HG LYS 45 2HG LYS 45 1.894 6.475 5.203
173 1HD LYS 45 1HD LYS 45 2.901 6.041 7.438
174 2HD LYS 45 2HD LYS 45 4.518 6.326 6.758
175 1HE LYS 45 1HE LYS 45 3.838 8.636 6.129
176 2HE LYS 45 2HE LYS 45 2.233 8.351 6.812
177 1HZ LYS 45 2HZ LYS 45 3.291 8.028 8.989
178 2HZ LYS 45 3HZ LYS 45 4.773 8.298 8.356
179 3HZ LYS 45 1HZ LYS 45 3.670 9.498 8.394
180 H CYS 46 H CYS 46 4.960 3.782 2.944
181 HA CYS 46 HA CYS 46 5.461 6.172 1.572
182 1HB CYS 46 1HB CYS 46 7.434 4.347 0.748
183 2HB CYS 46 2HB CYS 46 7.494 5.507 2.060
184 H LYS 47 H LYS 47 4.533 3.044 0.242
185 HA LYS 47 HA LYS 47 4.043 2.300 -1.870
186 1HB LYS 47 1HB LYS 47 1.988 3.314 -2.651
187 2HB LYS 47 2HB LYS 47 2.044 3.170 -0.900
188 1HG LYS 47 1HG LYS 47 2.646 5.590 -0.734
189 2HG LYS 47 2HG LYS 47 2.491 5.741 -2.485
190 1HD LYS 47 1HD LYS 47 0.135 5.256 -2.389
191 2HD LYS 47 2HD LYS 47 0.228 4.733 -0.700
192 1HE LYS 47 1HE LYS 47 0.918 7.558 -1.602
193 2HE LYS 47 2HE LYS 47 -0.710 7.069 -1.119
194 1HZ LYS 47 3HZ LYS 47 1.650 6.803 0.672
195 2HZ LYS 47 1HZ LYS 47 0.556 8.028 0.746
196 3HZ LYS 47 2HZ LYS 47 0.111 6.478 1.055
197 H GLN 48 H GLN 48 6.472 4.009 -2.166
198 HA GLN 48 HA GLN 48 6.293 5.306 -4.714
199 1HB GLN 48 1HB GLN 48 8.736 4.159 -3.298
200 2HB GLN 48 2HB GLN 48 8.780 5.261 -4.666
201 1HG GLN 48 1HG GLN 48 7.742 5.874 -1.872
202 2HG GLN 48 2HG GLN 48 9.206 6.482 -2.620
203 1HE2 GLN 48 2HE2 GLN 48 5.862 7.118 -2.127
204 2HE2 GLN 48 1HE2 GLN 48 5.751 8.476 -3.253
205 HA PRO 49 HA PRO 49 5.950 2.377 -7.759
206 1HB PRO 49 2HB PRO 49 8.489 3.363 -9.077
207 2HB PRO 49 1HB PRO 49 6.895 3.019 -9.824
208 1HG PRO 49 1HG PRO 49 7.555 5.557 -9.205
209 2HG PRO 49 2HG PRO 49 5.918 4.945 -8.798
210 1HD PRO 49 1HD PRO 49 8.307 5.283 -6.988
211 2HD PRO 49 2HD PRO 49 6.586 5.659 -6.694
212 H GLY 50 H GLY 50 9.140 1.991 -6.309
213 1HA GLY 50 2HA GLY 50 10.391 -0.072 -7.480
214 2HA GLY 50 1HA GLY 50 8.984 -0.931 -6.855
215 H HIS 51 H HIS 51 9.627 1.418 -4.578
216 HA HIS 51 HA HIS 51 11.945 0.480 -3.243
217 1HB HIS 51 1HB HIS 51 11.360 1.983 -1.558
218 2HB HIS 51 2HB HIS 51 10.650 2.708 -2.991
219 HD1 HIS 51 HD1 HIS 51 7.766 1.714 -3.178
220 HD2 HIS 51 HD2 HIS 51 9.854 1.835 0.484
221 HE1 HIS 51 HE1 HIS 51 6.047 1.348 -1.349
222 H PHE 52 H PHE 52 8.687 -0.787 -3.159
223 HA PHE 52 HA PHE 52 8.612 -1.793 -0.530
224 1HB PHE 52 1HB PHE 52 6.727 -3.223 -1.461
225 2HB PHE 52 2HB PHE 52 6.580 -1.485 -1.603
226 HD1 PHE 52 HD1 PHE 52 7.130 -4.630 -3.513
227 HD2 PHE 52 HD2 PHE 52 6.546 -0.360 -3.755
228 HE1 PHE 52 HE1 PHE 52 6.748 -4.812 -5.957
229 HE2 PHE 52 HE2 PHE 52 6.148 -0.554 -6.188
230 HZ PHE 52 HZ PHE 52 6.263 -2.774 -7.302
231 H SER 53 H SER 53 9.609 -3.488 -3.527
232 HA SER 53 HA SER 53 10.085 -6.035 -2.406
233 1HB SER 53 1HB SER 53 11.474 -4.699 -4.759
234 2HB SER 53 2HB SER 53 11.428 -6.442 -4.421
235 HG SER 53 HG SER 53 9.819 -5.832 -5.929
236 H LYS 54 H LYS 54 11.788 -3.267 -1.571
237 HA LYS 54 HA LYS 54 14.059 -4.862 -0.479
238 1HB LYS 54 1HB LYS 54 15.640 -3.123 -1.097
239 2HB LYS 54 2HB LYS 54 14.838 -3.785 -2.517
240 1HG LYS 54 1HG LYS 54 13.375 -1.803 -2.664
241 2HG LYS 54 2HG LYS 54 14.056 -1.162 -1.161
242 1HD LYS 54 1HD LYS 54 15.049 0.016 -2.984
243 2HD LYS 54 2HD LYS 54 16.295 -1.028 -2.280
244 1HE LYS 54 1HE LYS 54 15.899 -2.695 -4.097
245 2HE LYS 54 2HE LYS 54 14.639 -1.656 -4.775
246 1HZ LYS 54 3HZ LYS 54 16.352 0.045 -5.153
247 2HZ LYS 54 1HZ LYS 54 17.511 -0.924 -4.531
248 3HZ LYS 54 2HZ LYS 54 16.758 -1.337 -5.917
249 H GLN 55 H GLN 55 11.454 -3.349 0.556
250 HA GLN 55 HA GLN 55 12.739 -2.549 3.084
251 1HB GLN 55 1HB GLN 55 12.790 -0.492 1.622
252 2HB GLN 55 2HB GLN 55 11.026 -0.542 1.553
253 1HG GLN 55 1HG GLN 55 10.992 -0.354 4.083
254 2HG GLN 55 2HG GLN 55 12.751 -0.209 4.053
255 1HE2 GLN 55 1HE2 GLN 55 9.689 1.389 3.314
256 2HE2 GLN 55 2HE2 GLN 55 10.385 2.990 3.089
257 H CYS 56 H CYS 56 9.569 -2.449 1.375
258 HA CYS 56 HA CYS 56 8.205 -2.783 3.978
259 1HB CYS 56 1HB CYS 56 7.196 -1.775 1.288
260 2HB CYS 56 2HB CYS 56 6.314 -1.749 2.821
261 H ARG 57 H ARG 57 8.695 -4.586 1.088
262 HA ARG 57 HA ARG 57 6.818 -6.726 1.980
263 1HB ARG 57 1HB ARG 57 6.220 -4.997 -0.131
264 2HB ARG 57 2HB ARG 57 7.052 -6.288 -0.968
265 1HG ARG 57 1HG ARG 57 4.999 -7.247 -1.045
266 2HG ARG 57 2HG ARG 57 5.325 -7.761 0.607
267 1HD ARG 57 1HD ARG 57 3.742 -5.339 -0.343
268 2HD ARG 57 2HD ARG 57 3.116 -6.764 0.497
269 HE ARG 57 HE ARG 57 5.087 -5.472 2.144
270 1HH1 ARG 57 1HH1 ARG 57 1.861 -4.764 0.994
271 2HH1 ARG 57 2HH1 ARG 57 1.613 -3.575 2.249
272 1HH2 ARG 57 2HH2 ARG 57 4.652 -4.103 3.733
273 2HH2 ARG 57 1HH2 ARG 57 3.054 -3.393 3.910
274 H SER 58 H SER 58 9.913 -6.029 1.474
275 HA SER 58 HA SER 58 11.082 -8.130 -0.040
276 1HB SER 58 1HB SER 58 13.090 -7.605 1.458
277 2HB SER 58 2HB SER 58 12.441 -6.300 0.462
278 HG SER 58 HG SER 58 11.837 -6.722 3.220
No H/Q in entry = 278
Start of MODEL 3
1 H1 GLN 22 H2 GLN 22 -8.254 -0.885 -6.279
2 H2 GLN 22 H1 GLN 22 -7.271 0.364 -5.899
3 H3 GLN 22 H3 GLN 22 -7.246 -0.264 -7.420
4 HA GLN 22 HA GLN 22 -6.399 -2.362 -6.595
5 1HB GLN 22 1HB GLN 22 -4.816 -0.565 -7.331
6 2HB GLN 22 2HB GLN 22 -4.704 -0.003 -5.656
7 1HG GLN 22 1HG GLN 22 -3.746 -2.206 -4.987
8 2HG GLN 22 2HG GLN 22 -3.969 -2.803 -6.635
9 1HE2 GLN 22 2HE2 GLN 22 -1.806 -3.106 -7.287
10 2HE2 GLN 22 1HE2 GLN 22 -0.633 -1.795 -7.273
11 H THR 23 H THR 23 -6.436 -3.786 -4.907
12 HA THR 23 HA THR 23 -7.881 -3.371 -2.640
13 HB THR 23 HB THR 23 -5.581 -5.343 -2.825
14 HG1 THR 23 HG1 THR 23 -7.075 -6.633 -3.913
15 1HG2 THR 23 1HG2 THR 23 -8.326 -5.518 -1.494
16 2HG2 THR 23 2HG2 THR 23 -7.146 -6.839 -1.603
17 3HG2 THR 23 3HG2 THR 23 -6.763 -5.408 -0.644
18 H CYS 24 H CYS 24 -7.658 -2.824 -0.558
19 HA CYS 24 HA CYS 24 -5.709 -1.032 0.346
20 1HB CYS 24 1HB CYS 24 -8.098 -1.482 1.138
21 2HB CYS 24 2HB CYS 24 -7.455 -2.856 2.039
22 H TYR 25 H TYR 25 -4.086 -1.156 1.933
23 HA TYR 25 HA TYR 25 -2.533 -3.592 2.270
24 1HB TYR 25 1HB TYR 25 -1.051 -2.337 3.468
25 2HB TYR 25 2HB TYR 25 -1.695 -1.142 2.363
26 HD1 TYR 25 HD1 TYR 25 -0.590 -1.541 5.589
27 HD2 TYR 25 HD2 TYR 25 -4.047 -0.001 3.518
28 HE1 TYR 25 HE1 TYR 25 -1.132 -0.105 7.546
29 HE2 TYR 25 HE2 TYR 25 -4.630 1.344 5.500
30 HH TYR 25 HH TYR 25 -2.620 1.399 8.455
31 H ASN 26 H ASN 26 -5.372 -2.441 3.790
32 HA ASN 26 HA ASN 26 -5.014 -4.225 6.184
33 1HB ASN 26 1HB ASN 26 -4.487 -1.933 6.788
34 2HB ASN 26 2HB ASN 26 -5.926 -1.318 5.978
35 1HD2 ASN 26 2HD2 ASN 26 -7.977 -1.458 7.041
36 2HD2 ASN 26 1HD2 ASN 26 -8.065 -1.956 8.724
37 H CYS 27 H CYS 27 -7.450 -2.370 4.289
38 HA CYS 27 HA CYS 27 -9.646 -3.579 5.648
39 1HB CYS 27 1HB CYS 27 -9.594 -1.868 3.132
40 2HB CYS 27 2HB CYS 27 -10.969 -2.121 4.214
41 H GLY 28 H GLY 28 -7.870 -4.843 3.040
42 1HA GLY 28 2HA GLY 28 -9.465 -7.126 2.642
43 2HA GLY 28 1HA GLY 28 -8.186 -6.568 1.559
44 H LYS 29 H LYS 29 -9.631 -4.045 0.930
45 HA LYS 29 HA LYS 29 -11.995 -5.023 -0.614
46 1HB LYS 29 1HB LYS 29 -12.467 -3.645 1.387
47 2HB LYS 29 2HB LYS 29 -11.503 -2.345 0.717
48 1HG LYS 29 1HG LYS 29 -13.777 -1.797 0.331
49 2HG LYS 29 2HG LYS 29 -13.118 -2.242 -1.244
50 1HD LYS 29 1HD LYS 29 -14.170 -4.495 -1.043
51 2HD LYS 29 2HD LYS 29 -14.755 -4.072 0.579
52 1HE LYS 29 1HE LYS 29 -16.065 -2.193 -0.401
53 2HE LYS 29 2HE LYS 29 -15.505 -2.647 -2.016
54 1HZ LYS 29 2HZ LYS 29 -17.138 -4.373 -0.225
55 2HZ LYS 29 3HZ LYS 29 -17.694 -3.584 -1.538
56 3HZ LYS 29 1HZ LYS 29 -16.623 -4.801 -1.718
57 HA PRO 30 HA PRO 30 -9.402 -3.985 -4.157
58 1HB PRO 30 2HB PRO 30 -12.104 -4.011 -5.509
59 2HB PRO 30 1HB PRO 30 -10.548 -4.688 -6.085
60 1HG PRO 30 1HG PRO 30 -12.374 -6.315 -4.947
61 2HG PRO 30 2HG PRO 30 -10.646 -6.462 -4.483
62 1HD PRO 30 1HD PRO 30 -12.883 -5.090 -2.993
63 2HD PRO 30 2HD PRO 30 -11.567 -6.134 -2.372
64 H GLY 31 H GLY 31 -12.285 -2.019 -3.483
65 1HA GLY 31 2HA GLY 31 -12.915 0.119 -4.038
66 2HA GLY 31 1HA GLY 31 -11.731 0.096 -5.342
67 H HIS 32 H HIS 32 -9.429 -0.332 -3.547
68 HA HIS 32 HA HIS 32 -9.319 2.228 -2.030
69 1HB HIS 32 1HB HIS 32 -8.038 -0.455 -1.681
70 2HB HIS 32 2HB HIS 32 -7.125 0.957 -1.174
71 HD1 HIS 32 HD1 HIS 32 -10.580 -0.631 -0.467
72 HD2 HIS 32 HD2 HIS 32 -7.664 1.902 1.163
73 HE1 HIS 32 HE1 HIS 32 -11.336 -0.115 1.933
74 H LEU 33 H LEU 33 -7.224 3.215 -1.876
75 HA LEU 33 HA LEU 33 -5.482 3.396 -4.213
76 1HB LEU 33 1HB LEU 33 -7.417 5.618 -3.357
77 2HB LEU 33 2HB LEU 33 -6.017 5.906 -4.376
78 HG LEU 33 HG LEU 33 -8.396 4.173 -5.153
79 1HD1 LEU 33 2HD1 LEU 33 -8.934 6.565 -5.005
80 2HD1 LEU 33 3HD1 LEU 33 -7.547 6.955 -6.045
81 3HD1 LEU 33 1HD1 LEU 33 -8.913 6.014 -6.686
82 1HD2 LEU 33 1HD2 LEU 33 -5.969 5.111 -6.761
83 2HD2 LEU 33 2HD2 LEU 33 -6.322 3.432 -6.297
84 3HD2 LEU 33 3HD2 LEU 33 -7.389 4.273 -7.424
85 H SER 34 H SER 34 -3.819 5.100 -3.753
86 HA SER 34 HA SER 34 -2.645 5.131 -1.191
87 1HB SER 34 1HB SER 34 -2.380 7.057 -3.531
88 2HB SER 34 2HB SER 34 -1.257 6.967 -2.162
89 HG SER 34 HG SER 34 -0.598 5.702 -4.006
90 H SER 35 H SER 35 -5.479 6.745 -1.938
91 HA SER 35 HA SER 35 -5.185 8.642 0.349
92 1HB SER 35 1HB SER 35 -6.775 10.102 -0.872
93 2HB SER 35 2HB SER 35 -5.259 9.854 -1.758
94 HG SER 35 HG SER 35 -7.121 9.605 -3.104
95 H GLN 36 H GLN 36 -6.948 5.919 -0.834
96 HA GLN 36 HA GLN 36 -9.426 6.419 0.657
97 1HB GLN 36 1HB GLN 36 -9.126 4.909 -1.425
98 2HB GLN 36 2HB GLN 36 -8.342 3.766 -0.338
99 1HG GLN 36 1HG GLN 36 -10.554 2.992 -0.398
100 2HG GLN 36 2HG GLN 36 -10.554 3.931 1.080
101 1HE2 GLN 36 2HE2 GLN 36 -11.880 3.610 -2.164
102 2HE2 GLN 36 1HE2 GLN 36 -12.937 5.013 -2.052
103 H CYS 37 H CYS 37 -6.354 4.788 1.129
104 HA CYS 37 HA CYS 37 -6.605 4.956 4.046
105 1HB CYS 37 1HB CYS 37 -6.128 2.406 2.488
106 2HB CYS 37 2HB CYS 37 -5.201 2.655 3.941
107 H ARG 38 H ARG 38 -4.243 4.350 4.919
108 HA ARG 38 HA ARG 38 -2.407 6.325 4.043
109 1HB ARG 38 1HB ARG 38 -1.959 3.768 5.652
110 2HB ARG 38 2HB ARG 38 -0.696 4.928 5.284
111 1HG ARG 38 1HG ARG 38 -1.195 5.740 7.275
112 2HG ARG 38 2HG ARG 38 -2.346 6.705 6.372
113 1HD ARG 38 1HD ARG 38 -3.079 4.058 7.701
114 2HD ARG 38 2HD ARG 38 -3.037 5.563 8.596
115 HE ARG 38 HE ARG 38 -4.766 6.490 7.130
116 1HH1 ARG 38 1HH1 ARG 38 -4.625 2.960 7.275
117 2HH1 ARG 38 2HH1 ARG 38 -6.258 2.837 6.649
118 1HH2 ARG 38 1HH2 ARG 38 -6.894 6.175 6.576
119 2HH2 ARG 38 2HH2 ARG 38 -7.479 4.557 6.308
120 H ALA 39 H ALA 39 -2.677 2.962 2.936
121 HA ALA 39 HA ALA 39 -1.447 3.714 0.425
122 1HB ALA 39 3HB ALA 39 0.587 3.176 1.774
123 2HB ALA 39 1HB ALA 39 -0.114 1.586 2.164
124 3HB ALA 39 2HB ALA 39 0.336 1.973 0.497
125 HA PRO 40 HA PRO 40 -3.790 -0.115 -0.735
126 1HB PRO 40 2HB PRO 40 -2.739 -0.670 -3.171
127 2HB PRO 40 1HB PRO 40 -3.814 0.736 -2.914
128 1HG PRO 40 1HG PRO 40 -0.778 0.701 -2.987
129 2HG PRO 40 2HG PRO 40 -1.891 1.800 -3.862
130 1HD PRO 40 1HD PRO 40 -0.695 2.467 -1.483
131 2HD PRO 40 2HD PRO 40 -2.320 3.049 -1.935
132 H LYS 41 H LYS 41 -3.086 -2.393 -1.415
133 HA LYS 41 HA LYS 41 -1.383 -3.583 0.433
134 1HB LYS 41 1HB LYS 41 -3.272 -4.577 -0.905
135 2HB LYS 41 2HB LYS 41 -2.175 -4.718 -2.280
136 1HG LYS 41 1HG LYS 41 -0.767 -6.293 -1.018
137 2HG LYS 41 2HG LYS 41 -1.731 -6.017 0.450
138 1HD LYS 41 1HD LYS 41 -3.718 -6.978 -0.675
139 2HD LYS 41 2HD LYS 41 -2.764 -7.225 -2.158
140 1HE LYS 41 1HE LYS 41 -1.210 -8.710 -0.901
141 2HE LYS 41 2HE LYS 41 -2.167 -8.471 0.568
142 1HZ LYS 41 1HZ LYS 41 -3.170 -9.736 -1.930
143 2HZ LYS 41 2HZ LYS 41 -2.776 -10.531 -0.564
144 3HZ LYS 41 3HZ LYS 41 -4.054 -9.518 -0.570
145 H VAL 42 H VAL 42 -0.288 -2.038 -2.397
146 HA VAL 42 HA VAL 42 2.248 -3.234 -2.883
147 HB VAL 42 HB VAL 42 1.447 -0.294 -2.973
148 1HG1 VAL 42 1HG1 VAL 42 3.699 -1.775 -4.383
149 2HG1 VAL 42 2HG1 VAL 42 3.212 -0.099 -4.717
150 3HG1 VAL 42 3HG1 VAL 42 3.884 -0.515 -3.142
151 1HG2 VAL 42 2HG2 VAL 42 1.344 -2.437 -5.144
152 2HG2 VAL 42 3HG2 VAL 42 -0.056 -1.642 -4.391
153 3HG2 VAL 42 1HG2 VAL 42 1.044 -0.702 -5.391
154 H CYS 43 H CYS 43 1.193 -1.092 -0.234
155 HA CYS 43 HA CYS 43 3.808 -1.348 1.134
156 1HB CYS 43 1HB CYS 43 3.874 0.540 -0.556
157 2HB CYS 43 2HB CYS 43 2.605 1.350 0.371
158 H PHE 44 H PHE 44 3.217 0.812 2.852
159 HA PHE 44 HA PHE 44 0.587 0.410 4.129
160 1HB PHE 44 1HB PHE 44 1.408 -0.016 6.299
161 2HB PHE 44 2HB PHE 44 2.228 -1.161 5.255
162 HD1 PHE 44 HD1 PHE 44 2.606 1.518 7.662
163 HD2 PHE 44 HD2 PHE 44 4.679 -0.639 4.551
164 HE1 PHE 44 HE1 PHE 44 4.776 2.343 8.537
165 HE2 PHE 44 HE2 PHE 44 6.847 0.198 5.426
166 HZ PHE 44 HZ PHE 44 6.903 1.687 7.414
167 H LYS 45 H LYS 45 3.298 2.433 3.349
168 HA LYS 45 HA LYS 45 1.965 4.875 4.348
169 1HB LYS 45 1HB LYS 45 3.144 4.012 6.334
170 2HB LYS 45 2HB LYS 45 4.642 3.873 5.416
171 1HG LYS 45 1HG LYS 45 4.618 6.396 5.128
172 2HG LYS 45 2HG LYS 45 3.152 6.445 6.112
173 1HD LYS 45 1HD LYS 45 5.043 7.003 7.495
174 2HD LYS 45 2HD LYS 45 4.440 5.420 8.007
175 1HE LYS 45 1HE LYS 45 6.244 4.304 6.723
176 2HE LYS 45 2HE LYS 45 6.800 5.868 6.115
177 1HZ LYS 45 1HZ LYS 45 6.813 5.059 8.976
178 2HZ LYS 45 2HZ LYS 45 8.126 5.130 8.009
179 3HZ LYS 45 3HZ LYS 45 7.334 6.498 8.405
180 H CYS 46 H CYS 46 5.258 3.843 3.302
181 HA CYS 46 HA CYS 46 5.807 6.349 2.113
182 1HB CYS 46 1HB CYS 46 7.880 4.858 1.301
183 2HB CYS 46 2HB CYS 46 7.690 5.479 2.935
184 H LYS 47 H LYS 47 4.736 3.356 0.639
185 HA LYS 47 HA LYS 47 4.152 2.775 -1.500
186 1HB LYS 47 1HB LYS 47 2.105 3.886 -2.057
187 2HB LYS 47 2HB LYS 47 2.291 3.709 -0.323
188 1HG LYS 47 1HG LYS 47 3.153 6.191 -0.372
189 2HG LYS 47 2HG LYS 47 2.425 6.249 -1.981
190 1HD LYS 47 1HD LYS 47 0.234 5.650 -0.999
191 2HD LYS 47 2HD LYS 47 1.002 5.405 0.581
192 1HE LYS 47 1HE LYS 47 1.758 7.780 0.570
193 2HE LYS 47 2HE LYS 47 0.838 8.059 -0.916
194 1HZ LYS 47 2HZ LYS 47 -0.386 7.047 1.597
195 2HZ LYS 47 3HZ LYS 47 -0.337 8.647 1.217
196 3HZ LYS 47 1HZ LYS 47 -1.198 7.611 0.297
197 H GLN 48 H GLN 48 6.665 4.250 -1.823
198 HA GLN 48 HA GLN 48 6.489 5.780 -4.248
199 1HB GLN 48 1HB GLN 48 8.869 4.309 -3.040
200 2HB GLN 48 2HB GLN 48 8.964 5.495 -4.333
201 1HG GLN 48 1HG GLN 48 8.116 6.006 -1.458
202 2HG GLN 48 2HG GLN 48 9.597 6.523 -2.238
203 1HE2 GLN 48 2HE2 GLN 48 6.357 7.435 -1.536
204 2HE2 GLN 48 1HE2 GLN 48 6.329 8.876 -2.560
205 HA PRO 49 HA PRO 49 5.802 3.097 -7.487
206 1HB PRO 49 2HB PRO 49 8.352 4.010 -8.837
207 2HB PRO 49 1HB PRO 49 6.711 3.832 -9.538
208 1HG PRO 49 1HG PRO 49 7.575 6.267 -8.766
209 2HG PRO 49 2HG PRO 49 5.912 5.741 -8.338
210 1HD PRO 49 1HD PRO 49 8.385 5.774 -6.608
211 2HD PRO 49 2HD PRO 49 6.709 6.254 -6.217
212 H GLY 50 H GLY 50 9.030 2.439 -6.217
213 1HA GLY 50 2HA GLY 50 10.131 0.434 -7.584
214 2HA GLY 50 1HA GLY 50 8.714 -0.427 -6.986
215 H HIS 51 H HIS 51 9.526 1.670 -4.529
216 HA HIS 51 HA HIS 51 11.846 0.541 -3.363
217 1HB HIS 51 1HB HIS 51 11.332 1.875 -1.508
218 2HB HIS 51 2HB HIS 51 10.642 2.765 -2.853
219 HD1 HIS 51 HD1 HIS 51 7.711 1.956 -3.101
220 HD2 HIS 51 HD2 HIS 51 9.836 1.512 0.514
221 HE1 HIS 51 HE1 HIS 51 5.993 1.465 -1.306
222 H PHE 52 H PHE 52 8.548 -0.623 -3.281
223 HA PHE 52 HA PHE 52 8.493 -1.754 -0.722
224 1HB PHE 52 1HB PHE 52 6.508 -3.006 -1.601
225 2HB PHE 52 2HB PHE 52 6.469 -1.268 -1.796
226 HD1 PHE 52 HD1 PHE 52 6.536 -0.211 -4.011
227 HD2 PHE 52 HD2 PHE 52 6.699 -4.505 -3.581
228 HE1 PHE 52 HE1 PHE 52 6.060 -0.477 -6.426
229 HE2 PHE 52 HE2 PHE 52 6.232 -4.759 -6.001
230 HZ PHE 52 HZ PHE 52 5.917 -2.745 -7.432
231 H SER 53 H SER 53 9.374 -3.370 -3.792
232 HA SER 53 HA SER 53 9.681 -5.995 -2.803
233 1HB SER 53 1HB SER 53 11.178 -4.631 -5.072
234 2HB SER 53 2HB SER 53 11.017 -6.382 -4.828
235 HG SER 53 HG SER 53 9.471 -5.586 -6.316
236 H LYS 54 H LYS 54 11.576 -3.367 -1.872
237 HA LYS 54 HA LYS 54 13.712 -5.156 -0.807
238 1HB LYS 54 1HB LYS 54 15.417 -3.519 -1.350
239 2HB LYS 54 2HB LYS 54 14.591 -4.083 -2.797
240 1HG LYS 54 1HG LYS 54 13.285 -1.997 -2.923
241 2HG LYS 54 2HG LYS 54 13.965 -1.448 -1.384
242 1HD LYS 54 1HD LYS 54 15.087 -0.297 -3.160
243 2HD LYS 54 2HD LYS 54 16.235 -1.425 -2.422
244 1HE LYS 54 1HE LYS 54 15.813 -3.044 -4.278
245 2HE LYS 54 2HE LYS 54 14.658 -1.913 -4.996
246 1HZ LYS 54 2HZ LYS 54 16.495 -0.326 -5.268
247 2HZ LYS 54 3HZ LYS 54 17.558 -1.377 -4.609
248 3HZ LYS 54 1HZ LYS 54 16.844 -1.723 -6.033
249 H GLN 55 H GLN 55 11.204 -3.601 0.286
250 HA GLN 55 HA GLN 55 12.534 -2.900 2.823
251 1HB GLN 55 1HB GLN 55 12.549 -0.801 1.379
252 2HB GLN 55 2HB GLN 55 10.783 -0.831 1.433
253 1HG GLN 55 1HG GLN 55 10.970 -0.771 3.988
254 2HG GLN 55 2HG GLN 55 12.711 -0.555 3.788
255 1HE2 GLN 55 1HE2 GLN 55 9.528 0.916 3.388
256 2HE2 GLN 55 2HE2 GLN 55 10.112 2.558 3.162
257 H CYS 56 H CYS 56 9.356 -2.905 1.125
258 HA CYS 56 HA CYS 56 8.004 -3.221 3.757
259 1HB CYS 56 1HB CYS 56 7.009 -2.099 1.108
260 2HB CYS 56 2HB CYS 56 6.101 -2.158 2.623
261 H ARG 57 H ARG 57 8.252 -4.749 0.620
262 HA ARG 57 HA ARG 57 6.406 -6.983 1.429
263 1HB ARG 57 1HB ARG 57 6.955 -5.859 -1.352
264 2HB ARG 57 2HB ARG 57 5.937 -7.246 -1.005
265 1HG ARG 57 1HG ARG 57 5.339 -4.379 -0.176
266 2HG ARG 57 2HG ARG 57 4.653 -5.247 -1.541
267 1HD ARG 57 1HD ARG 57 2.954 -5.578 -0.091
268 2HD ARG 57 2HD ARG 57 3.908 -6.988 0.346
269 HE ARG 57 HE ARG 57 4.853 -5.640 2.232
270 1HH1 ARG 57 1HH2 ARG 57 1.824 -4.393 0.944
271 2HH1 ARG 57 2HH2 ARG 57 1.644 -3.297 2.287
272 1HH2 ARG 57 2HH1 ARG 57 4.501 -4.358 3.888
273 2HH2 ARG 57 1HH1 ARG 57 3.019 -3.433 4.022
274 H SER 58 H SER 58 9.575 -6.233 1.033
275 HA SER 58 HA SER 58 10.784 -8.343 -0.424
276 1HB SER 58 1HB SER 58 12.759 -7.815 1.105
277 2HB SER 58 2HB SER 58 12.117 -6.505 0.110
278 HG SER 58 HG SER 58 11.454 -6.953 2.849
No H/Q in entry = 278
Start of MODEL 4
1 H1 GLN 22 H3 GLN 22 -7.309 0.743 -5.799
2 H2 GLN 22 H2 GLN 22 -7.266 0.216 -7.353
3 H3 GLN 22 H1 GLN 22 -8.264 -0.504 -6.256
4 HA GLN 22 HA GLN 22 -6.434 -1.939 -6.616
5 1HB GLN 22 1HB GLN 22 -4.147 -1.242 -5.957
6 2HB GLN 22 2HB GLN 22 -4.721 -0.556 -7.454
7 1HG GLN 22 1HG GLN 22 -4.859 1.072 -4.877
8 2HG GLN 22 2HG GLN 22 -3.358 0.883 -5.769
9 1HE2 GLN 22 1HE2 GLN 22 -3.375 3.248 -6.091
10 2HE2 GLN 22 2HE2 GLN 22 -4.401 3.892 -7.366
11 H THR 23 H THR 23 -6.330 -3.411 -5.021
12 HA THR 23 HA THR 23 -7.785 -3.108 -2.736
13 HB THR 23 HB THR 23 -5.498 -5.083 -3.031
14 HG1 THR 23 HG1 THR 23 -6.994 -6.303 -4.187
15 1HG2 THR 23 2HG2 THR 23 -8.246 -5.327 -1.717
16 2HG2 THR 23 3HG2 THR 23 -7.054 -6.631 -1.879
17 3HG2 THR 23 1HG2 THR 23 -6.690 -5.240 -0.853
18 H CYS 24 H CYS 24 -7.584 -2.562 -0.675
19 HA CYS 24 HA CYS 24 -5.609 -0.905 0.360
20 1HB CYS 24 1HB CYS 24 -8.017 -1.357 1.099
21 2HB CYS 24 2HB CYS 24 -7.403 -2.782 1.941
22 H TYR 25 H TYR 25 -3.973 -1.124 1.907
23 HA TYR 25 HA TYR 25 -2.505 -3.614 2.186
24 1HB TYR 25 1HB TYR 25 -0.986 -2.442 3.416
25 2HB TYR 25 2HB TYR 25 -1.594 -1.191 2.354
26 HD1 TYR 25 HD1 TYR 25 -0.531 -1.786 5.577
27 HD2 TYR 25 HD2 TYR 25 -3.883 0.020 3.542
28 HE1 TYR 25 HE1 TYR 25 -1.017 -0.404 7.588
29 HE2 TYR 25 HE2 TYR 25 -4.386 1.349 5.563
30 HH TYR 25 HH TYR 25 -2.414 1.147 8.540
31 H ASN 26 H ASN 26 -5.305 -2.431 3.748
32 HA ASN 26 HA ASN 26 -4.962 -4.264 6.109
33 1HB ASN 26 1HB ASN 26 -4.461 -1.976 6.739
34 2HB ASN 26 2HB ASN 26 -5.898 -1.364 5.925
35 1HD2 ASN 26 1HD2 ASN 26 -7.962 -1.548 6.965
36 2HD2 ASN 26 2HD2 ASN 26 -8.054 -2.055 8.645
37 H CYS 27 H CYS 27 -7.394 -2.436 4.189
38 HA CYS 27 HA CYS 27 -9.587 -3.679 5.529
39 1HB CYS 27 1HB CYS 27 -9.530 -1.919 3.048
40 2HB CYS 27 2HB CYS 27 -10.918 -2.214 4.103
41 H GLY 28 H GLY 28 -7.783 -4.914 2.931
42 1HA GLY 28 2HA GLY 28 -9.378 -7.182 2.440
43 2HA GLY 28 1HA GLY 28 -8.102 -6.580 1.375
44 H LYS 29 H LYS 29 -9.386 -4.079 0.744
45 HA LYS 29 HA LYS 29 -11.905 -4.839 -0.682
46 1HB LYS 29 1HB LYS 29 -12.199 -3.583 1.421
47 2HB LYS 29 2HB LYS 29 -11.168 -2.311 0.820
48 1HG LYS 29 1HG LYS 29 -13.451 -1.601 0.611
49 2HG LYS 29 2HG LYS 29 -12.806 -1.831 -1.003
50 1HD LYS 29 1HD LYS 29 -15.112 -2.671 -0.826
51 2HD LYS 29 2HD LYS 29 -13.995 -3.958 -1.239
52 1HE LYS 29 1HE LYS 29 -15.577 -4.810 0.355
53 2HE LYS 29 2HE LYS 29 -13.997 -4.739 1.130
54 1HZ LYS 29 3HZ LYS 29 -16.171 -2.733 1.483
55 2HZ LYS 29 1HZ LYS 29 -15.763 -3.877 2.569
56 3HZ LYS 29 2HZ LYS 29 -14.718 -2.674 2.236
57 HA PRO 30 HA PRO 30 -9.307 -3.722 -4.231
58 1HB PRO 30 2HB PRO 30 -12.030 -3.809 -5.538
59 2HB PRO 30 1HB PRO 30 -10.460 -4.419 -6.156
60 1HG PRO 30 1HG PRO 30 -12.208 -6.133 -5.020
61 2HG PRO 30 2HG PRO 30 -10.468 -6.227 -4.587
62 1HD PRO 30 1HD PRO 30 -12.730 -4.969 -3.037
63 2HD PRO 30 2HD PRO 30 -11.367 -5.971 -2.453
64 H GLY 31 H GLY 31 -12.253 -1.869 -3.498
65 1HA GLY 31 2HA GLY 31 -12.948 0.264 -3.992
66 2HA GLY 31 1HA GLY 31 -11.757 0.321 -5.288
67 H HIS 32 H HIS 32 -9.424 -0.053 -3.581
68 HA HIS 32 HA HIS 32 -9.429 2.401 -1.896
69 1HB HIS 32 1HB HIS 32 -8.020 -0.226 -1.723
70 2HB HIS 32 2HB HIS 32 -7.139 1.198 -1.181
71 HD1 HIS 32 HD1 HIS 32 -10.553 -0.490 -0.476
72 HD2 HIS 32 HD2 HIS 32 -7.623 1.977 1.223
73 HE1 HIS 32 HE1 HIS 32 -11.274 -0.088 1.956
74 H LEU 33 H LEU 33 -7.555 3.618 -1.742
75 HA LEU 33 HA LEU 33 -5.853 4.142 -4.072
76 1HB LEU 33 1HB LEU 33 -8.052 6.024 -3.059
77 2HB LEU 33 2HB LEU 33 -6.770 6.518 -4.150
78 HG LEU 33 HG LEU 33 -8.928 4.481 -4.839
79 1HD1 LEU 33 2HD1 LEU 33 -9.814 6.756 -4.554
80 2HD1 LEU 33 3HD1 LEU 33 -8.579 7.388 -5.665
81 3HD1 LEU 33 1HD1 LEU 33 -9.826 6.268 -6.256
82 1HD2 LEU 33 1HD2 LEU 33 -6.798 5.834 -6.563
83 2HD2 LEU 33 2HD2 LEU 33 -6.854 4.110 -6.132
84 3HD2 LEU 33 3HD2 LEU 33 -8.113 4.797 -7.159
85 H SER 34 H SER 34 -4.415 6.036 -3.508
86 HA SER 34 HA SER 34 -3.296 6.122 -0.922
87 1HB SER 34 1HB SER 34 -3.352 8.265 -3.085
88 2HB SER 34 2HB SER 34 -2.218 8.206 -1.723
89 HG SER 34 HG SER 34 -1.440 7.270 -3.753
90 H SER 35 H SER 35 -6.259 7.586 -1.935
91 HA SER 35 HA SER 35 -6.385 9.439 0.387
92 1HB SER 35 1HB SER 35 -8.390 10.306 -0.813
93 2HB SER 35 2HB SER 35 -6.898 10.413 -1.764
94 HG SER 35 HG SER 35 -8.672 9.564 -2.979
95 H GLN 36 H GLN 36 -7.306 6.250 -0.355
96 HA GLN 36 HA GLN 36 -9.823 6.312 1.226
97 1HB GLN 36 1HB GLN 36 -9.449 5.060 -1.039
98 2HB GLN 36 2HB GLN 36 -8.543 3.901 -0.076
99 1HG GLN 36 1HG GLN 36 -10.686 2.962 -0.138
100 2HG GLN 36 2HG GLN 36 -10.719 3.789 1.410
101 1HE2 GLN 36 2HE2 GLN 36 -12.076 3.620 -1.844
102 2HE2 GLN 36 1HE2 GLN 36 -13.245 4.913 -1.602
103 H CYS 37 H CYS 37 -6.563 4.882 1.274
104 HA CYS 37 HA CYS 37 -6.500 4.943 4.195
105 1HB CYS 37 1HB CYS 37 -6.125 2.387 2.585
106 2HB CYS 37 2HB CYS 37 -5.237 2.631 4.063
107 H ARG 38 H ARG 38 -4.154 4.352 4.891
108 HA ARG 38 HA ARG 38 -2.337 6.250 3.877
109 1HB ARG 38 1HB ARG 38 -1.797 3.695 5.464
110 2HB ARG 38 2HB ARG 38 -0.593 4.918 5.096
111 1HG ARG 38 1HG ARG 38 -1.090 5.668 7.115
112 2HG ARG 38 2HG ARG 38 -2.322 6.584 6.265
113 1HD ARG 38 1HD ARG 38 -2.861 3.854 7.510
114 2HD ARG 38 2HD ARG 38 -2.880 5.319 8.477
115 HE ARG 38 HE ARG 38 -4.654 6.198 6.917
116 1HH1 ARG 38 1HH2 ARG 38 -4.457 2.727 7.561
117 2HH1 ARG 38 2HH2 ARG 38 -6.161 2.527 7.240
118 1HH2 ARG 38 2HH1 ARG 38 -6.818 5.810 6.609
119 2HH2 ARG 38 1HH1 ARG 38 -7.392 4.169 6.580
120 H ALA 39 H ALA 39 -2.655 2.852 2.855
121 HA ALA 39 HA ALA 39 -1.405 3.522 0.330
122 1HB ALA 39 1HB ALA 39 0.623 3.066 1.701
123 2HB ALA 39 2HB ALA 39 -0.065 1.494 2.181
124 3HB ALA 39 3HB ALA 39 0.398 1.784 0.500
125 HA PRO 40 HA PRO 40 -3.634 -0.336 -0.817
126 1HB PRO 40 2HB PRO 40 -2.509 -0.904 -3.221
127 2HB PRO 40 1HB PRO 40 -3.604 0.490 -2.990
128 1HG PRO 40 1HG PRO 40 -0.568 0.497 -2.982
129 2HG PRO 40 2HG PRO 40 -1.667 1.566 -3.909
130 1HD PRO 40 1HD PRO 40 -0.562 2.284 -1.506
131 2HD PRO 40 2HD PRO 40 -2.189 2.833 -2.004
132 H LYS 41 H LYS 41 -2.941 -2.596 -1.423
133 HA LYS 41 HA LYS 41 -1.263 -3.759 0.476
134 1HB LYS 41 1HB LYS 41 -3.213 -4.694 -0.907
135 2HB LYS 41 2HB LYS 41 -2.034 -5.047 -2.170
136 1HG LYS 41 1HG LYS 41 -0.832 -6.562 -0.641
137 2HG LYS 41 2HG LYS 41 -1.884 -6.076 0.706
138 1HD LYS 41 1HD LYS 41 -3.844 -7.017 -0.486
139 2HD LYS 41 2HD LYS 41 -2.794 -7.494 -1.840
140 1HE LYS 41 1HE LYS 41 -1.469 -8.929 -0.297
141 2HE LYS 41 2HE LYS 41 -2.516 -8.456 1.046
142 1HZ LYS 41 3HZ LYS 41 -3.416 -9.929 -1.375
143 2HZ LYS 41 1HZ LYS 41 -3.196 -10.585 0.100
144 3HZ LYS 41 2HZ LYS 41 -4.384 -9.493 -0.131
145 H VAL 42 H VAL 42 -0.124 -2.298 -2.344
146 HA VAL 42 HA VAL 42 2.385 -3.587 -2.813
147 HB VAL 42 HB VAL 42 1.633 -0.635 -2.966
148 1HG1 VAL 42 3HG1 VAL 42 3.888 -2.167 -4.317
149 2HG1 VAL 42 1HG1 VAL 42 3.421 -0.493 -4.688
150 3HG1 VAL 42 2HG1 VAL 42 4.063 -0.885 -3.096
151 1HG2 VAL 42 2HG2 VAL 42 1.523 -2.814 -5.100
152 2HG2 VAL 42 3HG2 VAL 42 0.125 -1.982 -4.384
153 3HG2 VAL 42 1HG2 VAL 42 1.258 -1.081 -5.386
154 H CYS 43 H CYS 43 1.339 -1.378 -0.231
155 HA CYS 43 HA CYS 43 3.949 -1.576 1.168
156 1HB CYS 43 1HB CYS 43 3.984 0.258 -0.572
157 2HB CYS 43 2HB CYS 43 2.678 1.059 0.308
158 H PHE 44 H PHE 44 3.313 0.605 2.845
159 HA PHE 44 HA PHE 44 0.670 0.153 4.093
160 1HB PHE 44 1HB PHE 44 1.471 -0.142 6.281
161 2HB PHE 44 2HB PHE 44 2.397 -1.266 5.307
162 HD1 PHE 44 HD1 PHE 44 2.508 1.579 7.562
163 HD2 PHE 44 HD2 PHE 44 4.827 -0.630 4.670
164 HE1 PHE 44 HE1 PHE 44 4.586 2.621 8.431
165 HE2 PHE 44 HE2 PHE 44 6.901 0.416 5.545
166 HZ PHE 44 HZ PHE 44 6.785 2.045 7.418
167 H LYS 45 H LYS 45 3.280 2.295 3.246
168 HA LYS 45 HA LYS 45 1.688 4.658 3.991
169 1HB LYS 45 1HB LYS 45 2.869 4.094 6.094
170 2HB LYS 45 2HB LYS 45 4.409 4.070 5.250
171 1HG LYS 45 1HG LYS 45 4.201 6.097 6.521
172 2HG LYS 45 2HG LYS 45 4.213 6.508 4.808
173 1HD LYS 45 1HD LYS 45 1.755 6.824 4.844
174 2HD LYS 45 2HD LYS 45 1.708 6.301 6.546
175 1HE LYS 45 1HE LYS 45 3.220 8.195 7.145
176 2HE LYS 45 2HE LYS 45 3.222 8.723 5.459
177 1HZ LYS 45 2HZ LYS 45 0.814 9.090 5.646
178 2HZ LYS 45 3HZ LYS 45 0.820 8.603 7.210
179 3HZ LYS 45 1HZ LYS 45 1.605 9.962 6.774
180 H CYS 46 H CYS 46 5.091 3.855 3.053
181 HA CYS 46 HA CYS 46 5.367 6.336 1.682
182 1HB CYS 46 1HB CYS 46 7.654 5.237 1.105
183 2HB CYS 46 2HB CYS 46 7.254 5.683 2.762
184 H LYS 47 H LYS 47 4.685 3.121 0.444
185 HA LYS 47 HA LYS 47 4.212 2.327 -1.661
186 1HB LYS 47 1HB LYS 47 2.132 3.304 -2.437
187 2HB LYS 47 2HB LYS 47 2.203 3.165 -0.688
188 1HG LYS 47 1HG LYS 47 2.745 5.584 -0.509
189 2HG LYS 47 2HG LYS 47 2.622 5.744 -2.263
190 1HD LYS 47 1HD LYS 47 0.273 5.201 -2.214
191 2HD LYS 47 2HD LYS 47 0.345 4.703 -0.516
192 1HE LYS 47 1HE LYS 47 1.016 7.526 -1.435
193 2HE LYS 47 2HE LYS 47 -0.623 7.024 -1.001
194 1HZ LYS 47 2HZ LYS 47 1.679 6.791 0.874
195 2HZ LYS 47 3HZ LYS 47 0.590 8.022 0.889
196 3HZ LYS 47 1HZ LYS 47 0.121 6.484 1.209
197 H GLN 48 H GLN 48 6.616 4.015 -2.022
198 HA GLN 48 HA GLN 48 6.382 5.372 -4.530
199 1HB GLN 48 1HB GLN 48 8.838 4.174 -3.180
200 2HB GLN 48 2HB GLN 48 8.882 5.282 -4.545
201 1HG GLN 48 1HG GLN 48 7.877 5.901 -1.739
202 2HG GLN 48 2HG GLN 48 9.345 6.486 -2.494
203 1HE2 GLN 48 2HE2 GLN 48 6.005 7.161 -1.996
204 2HE2 GLN 48 1HE2 GLN 48 5.911 8.529 -3.111
205 HA PRO 49 HA PRO 49 5.968 2.540 -7.666
206 1HB PRO 49 2HB PRO 49 8.475 3.581 -9.003
207 2HB PRO 49 1HB PRO 49 6.866 3.257 -9.728
208 1HG PRO 49 1HG PRO 49 7.531 5.776 -9.037
209 2HG PRO 49 2HG PRO 49 5.905 5.144 -8.614
210 1HD PRO 49 1HD PRO 49 8.333 5.427 -6.848
211 2HD PRO 49 2HD PRO 49 6.618 5.790 -6.503
212 H GLY 50 H GLY 50 9.181 2.119 -6.283
213 1HA GLY 50 2HA GLY 50 10.436 0.124 -7.551
214 2HA GLY 50 1HA GLY 50 9.045 -0.778 -6.958
215 H HIS 51 H HIS 51 9.665 1.456 -4.569
216 HA HIS 51 HA HIS 51 12.005 0.481 -3.292
217 1HB HIS 51 1HB HIS 51 11.398 1.878 -1.520
218 2HB HIS 51 2HB HIS 51 10.678 2.674 -2.910
219 HD1 HIS 51 HD1 HIS 51 7.808 1.752 -3.159
220 HD2 HIS 51 HD2 HIS 51 9.893 1.426 0.492
221 HE1 HIS 51 HE1 HIS 51 6.088 1.171 -1.389
222 H PHE 52 H PHE 52 8.735 -0.773 -3.230
223 HA PHE 52 HA PHE 52 8.653 -1.848 -0.650
224 1HB PHE 52 1HB PHE 52 6.733 -3.210 -1.579
225 2HB PHE 52 2HB PHE 52 6.633 -1.474 -1.742
226 HD1 PHE 52 HD1 PHE 52 7.107 -4.655 -3.601
227 HD2 PHE 52 HD2 PHE 52 6.633 -0.376 -3.914
228 HE1 PHE 52 HE1 PHE 52 6.714 -4.870 -6.039
229 HE2 PHE 52 HE2 PHE 52 6.220 -0.602 -6.342
230 HZ PHE 52 HZ PHE 52 6.274 -2.844 -7.418
231 H SER 53 H SER 53 9.627 -3.530 -3.663
232 HA SER 53 HA SER 53 10.117 -6.090 -2.559
233 1HB SER 53 1HB SER 53 11.541 -4.709 -4.867
234 2HB SER 53 2HB SER 53 11.478 -6.458 -4.565
235 HG SER 53 HG SER 53 9.912 -5.787 -6.103
236 H LYS 54 H LYS 54 11.741 -3.290 -1.701
237 HA LYS 54 HA LYS 54 14.214 -4.724 -0.821
238 1HB LYS 54 1HB LYS 54 14.021 -1.871 -1.884
239 2HB LYS 54 2HB LYS 54 15.488 -2.712 -1.371
240 1HG LYS 54 1HG LYS 54 15.175 -4.359 -3.226
241 2HG LYS 54 2HG LYS 54 13.756 -3.445 -3.774
242 1HD LYS 54 1HD LYS 54 15.182 -1.429 -4.086
243 2HD LYS 54 2HD LYS 54 16.607 -2.391 -3.626
244 1HE LYS 54 1HE LYS 54 16.133 -3.961 -5.504
245 2HE LYS 54 2HE LYS 54 14.723 -2.995 -5.956
246 1HZ LYS 54 1HZ LYS 54 16.230 -1.125 -6.396
247 2HZ LYS 54 2HZ LYS 54 17.533 -2.024 -5.985
248 3HZ LYS 54 3HZ LYS 54 16.653 -2.413 -7.303
249 H GLN 55 H GLN 55 11.490 -3.440 0.408
250 HA GLN 55 HA GLN 55 12.754 -2.878 2.991
251 1HB GLN 55 1HB GLN 55 12.849 -0.671 1.820
252 2HB GLN 55 2HB GLN 55 11.096 -0.703 1.635
253 1HG GLN 55 1HG GLN 55 10.888 -0.778 4.154
254 2HG GLN 55 2HG GLN 55 12.647 -0.672 4.267
255 1HE2 GLN 55 1HE2 GLN 55 9.676 1.077 3.458
256 2HE2 GLN 55 2HE2 GLN 55 10.422 2.673 3.427
257 H CYS 56 H CYS 56 9.555 -2.211 1.470
258 HA CYS 56 HA CYS 56 8.246 -2.939 3.944
259 1HB CYS 56 1HB CYS 56 7.174 -1.859 1.301
260 2HB CYS 56 2HB CYS 56 6.284 -1.941 2.830
261 H ARG 57 H ARG 57 8.766 -4.659 1.012
262 HA ARG 57 HA ARG 57 6.831 -6.802 1.737
263 1HB ARG 57 1HB ARG 57 6.166 -4.847 -0.105
264 2HB ARG 57 2HB ARG 57 6.978 -5.986 -1.153
265 1HG ARG 57 1HG ARG 57 4.957 -7.001 -1.295
266 2HG ARG 57 2HG ARG 57 5.304 -7.680 0.291
267 1HD ARG 57 1HD ARG 57 3.660 -5.220 -0.404
268 2HD ARG 57 2HD ARG 57 3.094 -6.717 0.350
269 HE ARG 57 HE ARG 57 5.077 -5.534 2.042
270 1HH1 ARG 57 1HH2 ARG 57 1.837 -4.708 0.995
271 2HH1 ARG 57 2HH2 ARG 57 1.646 -3.563 2.297
272 1HH2 ARG 57 2HH1 ARG 57 4.714 -4.225 3.690
273 2HH2 ARG 57 1HH1 ARG 57 3.140 -3.479 3.932
274 H SER 58 H SER 58 9.874 -6.374 1.525
275 HA SER 58 HA SER 58 11.194 -7.785 -0.420
276 1HB SER 58 1HB SER 58 11.822 -7.886 2.549
277 2HB SER 58 2HB SER 58 12.953 -8.147 1.208
278 HG SER 58 HG SER 58 13.018 -5.981 2.054
No H/Q in entry = 278
Start of MODEL 5
1 H1 GLN 22 H2 GLN 22 -8.160 -0.367 -6.125
2 H2 GLN 22 H1 GLN 22 -7.095 0.784 -5.659
3 H3 GLN 22 H3 GLN 22 -7.147 0.300 -7.234
4 HA GLN 22 HA GLN 22 -6.435 -1.919 -6.616
5 1HB GLN 22 1HB GLN 22 -4.735 -0.241 -7.308
6 2HB GLN 22 2HB GLN 22 -4.568 0.287 -5.637
7 1HG GLN 22 1HG GLN 22 -2.718 -1.151 -6.247
8 2HG GLN 22 2HG GLN 22 -3.677 -1.953 -5.013
9 1HE2 GLN 22 2HE2 GLN 22 -2.069 -2.552 -7.898
10 2HE2 GLN 22 1HE2 GLN 22 -3.007 -3.955 -8.394
11 H THR 23 H THR 23 -6.266 -3.475 -5.041
12 HA THR 23 HA THR 23 -7.734 -3.247 -2.733
13 HB THR 23 HB THR 23 -5.433 -5.185 -3.136
14 HG1 THR 23 HG1 THR 23 -6.976 -6.408 -4.225
15 1HG2 THR 23 3HG2 THR 23 -8.094 -5.461 -1.658
16 2HG2 THR 23 1HG2 THR 23 -6.917 -6.765 -1.918
17 3HG2 THR 23 2HG2 THR 23 -6.483 -5.391 -0.896
18 H CYS 24 H CYS 24 -7.527 -2.699 -0.683
19 HA CYS 24 HA CYS 24 -5.576 -1.000 0.321
20 1HB CYS 24 1HB CYS 24 -7.966 -1.476 1.078
21 2HB CYS 24 2HB CYS 24 -7.337 -2.887 1.928
22 H TYR 25 H TYR 25 -3.938 -1.163 1.864
23 HA TYR 25 HA TYR 25 -2.398 -3.608 2.155
24 1HB TYR 25 1HB TYR 25 -0.903 -2.377 3.359
25 2HB TYR 25 2HB TYR 25 -1.554 -1.159 2.284
26 HD1 TYR 25 HD1 TYR 25 -0.452 -1.681 5.506
27 HD2 TYR 25 HD2 TYR 25 -3.858 0.016 3.470
28 HE1 TYR 25 HE1 TYR 25 -0.952 -0.282 7.498
29 HE2 TYR 25 HE2 TYR 25 -4.385 1.355 5.478
30 HH TYR 25 HH TYR 25 -2.378 1.250 8.440
31 H ASN 26 H ASN 26 -5.215 -2.490 3.730
32 HA ASN 26 HA ASN 26 -4.810 -4.314 6.088
33 1HB ASN 26 1HB ASN 26 -4.331 -2.017 6.715
34 2HB ASN 26 2HB ASN 26 -5.793 -1.427 5.931
35 1HD2 ASN 26 2HD2 ASN 26 -7.830 -1.647 7.013
36 2HD2 ASN 26 1HD2 ASN 26 -7.885 -2.169 8.691
37 H CYS 27 H CYS 27 -7.283 -2.514 4.199
38 HA CYS 27 HA CYS 27 -9.450 -3.802 5.554
39 1HB CYS 27 1HB CYS 27 -9.446 -1.997 3.108
40 2HB CYS 27 2HB CYS 27 -10.811 -2.316 4.184
41 H GLY 28 H GLY 28 -7.660 -4.938 2.900
42 1HA GLY 28 2HA GLY 28 -9.210 -7.234 2.421
43 2HA GLY 28 1HA GLY 28 -7.950 -6.609 1.352
44 H LYS 29 H LYS 29 -9.395 -4.108 0.783
45 HA LYS 29 HA LYS 29 -11.773 -5.044 -0.776
46 1HB LYS 29 1HB LYS 29 -12.274 -3.809 1.306
47 2HB LYS 29 2HB LYS 29 -11.327 -2.454 0.730
48 1HG LYS 29 1HG LYS 29 -13.598 -1.899 0.375
49 2HG LYS 29 2HG LYS 29 -12.947 -2.244 -1.227
50 1HD LYS 29 1HD LYS 29 -13.982 -4.511 -1.157
51 2HD LYS 29 2HD LYS 29 -14.557 -4.193 0.493
52 1HE LYS 29 1HE LYS 29 -15.878 -2.255 -0.364
53 2HE LYS 29 2HE LYS 29 -15.343 -2.628 -2.008
54 1HZ LYS 29 1HZ LYS 29 -16.458 -4.795 -1.798
55 2HZ LYS 29 2HZ LYS 29 -16.950 -4.439 -0.280
56 3HZ LYS 29 3HZ LYS 29 -17.526 -3.588 -1.545
57 HA PRO 30 HA PRO 30 -9.223 -3.716 -4.263
58 1HB PRO 30 2HB PRO 30 -11.934 -3.730 -5.593
59 2HB PRO 30 1HB PRO 30 -10.363 -4.325 -6.221
60 1HG PRO 30 1HG PRO 30 -12.137 -6.069 -5.177
61 2HG PRO 30 2HG PRO 30 -10.401 -6.201 -4.735
62 1HD PRO 30 1HD PRO 30 -12.664 -4.987 -3.146
63 2HD PRO 30 2HD PRO 30 -11.315 -6.034 -2.602
64 H GLY 31 H GLY 31 -12.160 -1.890 -3.456
65 1HA GLY 31 2HA GLY 31 -12.876 0.247 -3.899
66 2HA GLY 31 1HA GLY 31 -11.674 0.351 -5.184
67 H HIS 32 H HIS 32 -9.331 -0.004 -3.533
68 HA HIS 32 HA HIS 32 -9.388 2.390 -1.759
69 1HB HIS 32 1HB HIS 32 -7.934 -0.222 -1.634
70 2HB HIS 32 2HB HIS 32 -7.113 1.207 -1.018
71 HD1 HIS 32 HD1 HIS 32 -10.418 -0.705 -0.429
72 HD2 HIS 32 HD2 HIS 32 -7.756 1.996 1.355
73 HE1 HIS 32 HE1 HIS 32 -11.235 -0.377 1.987
74 H LEU 33 H LEU 33 -7.673 3.720 -1.610
75 HA LEU 33 HA LEU 33 -5.747 4.224 -3.746
76 1HB LEU 33 1HB LEU 33 -8.184 6.003 -3.183
77 2HB LEU 33 2HB LEU 33 -6.781 6.538 -4.097
78 HG LEU 33 HG LEU 33 -8.683 4.333 -4.984
79 1HD1 LEU 33 1HD1 LEU 33 -9.713 6.559 -4.987
80 2HD1 LEU 33 2HD1 LEU 33 -8.347 7.206 -5.925
81 3HD1 LEU 33 3HD1 LEU 33 -9.426 5.983 -6.637
82 1HD2 LEU 33 3HD2 LEU 33 -6.373 5.713 -6.437
83 2HD2 LEU 33 1HD2 LEU 33 -6.401 4.014 -5.913
84 3HD2 LEU 33 2HD2 LEU 33 -7.520 4.565 -7.163
85 H SER 34 H SER 34 -4.586 6.355 -3.125
86 HA SER 34 HA SER 34 -3.851 6.705 -0.421
87 1HB SER 34 1HB SER 34 -3.953 8.709 -2.710
88 2HB SER 34 2HB SER 34 -3.083 8.960 -1.184
89 HG SER 34 HG SER 34 -1.941 7.991 -3.143
90 H SER 35 H SER 35 -6.711 7.901 -2.084
91 HA SER 35 HA SER 35 -7.538 9.719 0.058
92 1HB SER 35 1HB SER 35 -9.072 8.710 -2.367
93 2HB SER 35 2HB SER 35 -9.500 10.090 -1.335
94 HG SER 35 HG SER 35 -8.419 10.778 -3.225
95 H GLN 36 H GLN 36 -7.467 6.442 0.093
96 HA GLN 36 HA GLN 36 -10.073 6.137 1.543
97 1HB GLN 36 1HB GLN 36 -9.711 5.065 -0.842
98 2HB GLN 36 2HB GLN 36 -8.699 3.921 0.027
99 1HG GLN 36 1HG GLN 36 -10.759 2.839 0.004
100 2HG GLN 36 2HG GLN 36 -10.807 3.607 1.585
101 1HE2 GLN 36 2HE2 GLN 36 -12.202 3.487 -1.661
102 2HE2 GLN 36 1HE2 GLN 36 -13.472 4.664 -1.339
103 H CYS 37 H CYS 37 -6.706 4.918 1.277
104 HA CYS 37 HA CYS 37 -6.468 4.873 4.197
105 1HB CYS 37 1HB CYS 37 -6.064 2.409 2.460
106 2HB CYS 37 2HB CYS 37 -5.115 2.636 3.903
107 H ARG 38 H ARG 38 -4.079 4.392 4.764
108 HA ARG 38 HA ARG 38 -2.373 6.373 3.692
109 1HB ARG 38 1HB ARG 38 -1.671 3.810 5.201
110 2HB ARG 38 2HB ARG 38 -0.530 5.079 4.796
111 1HG ARG 38 1HG ARG 38 -0.948 5.719 6.882
112 2HG ARG 38 2HG ARG 38 -2.198 6.673 6.102
113 1HD ARG 38 1HD ARG 38 -2.741 3.901 7.236
114 2HD ARG 38 2HD ARG 38 -2.685 5.308 8.285
115 HE ARG 38 HE ARG 38 -4.490 6.311 6.807
116 1HH1 ARG 38 2HH1 ARG 38 -4.379 2.831 7.420
117 2HH1 ARG 38 1HH1 ARG 38 -6.096 2.685 7.149
118 1HH2 ARG 38 2HH2 ARG 38 -6.679 6.005 6.627
119 2HH2 ARG 38 1HH2 ARG 38 -7.329 4.393 6.684
120 H ALA 39 H ALA 39 -2.563 2.936 2.742
121 HA ALA 39 HA ALA 39 -1.406 3.587 0.140
122 1HB ALA 39 1HB ALA 39 -0.017 1.631 2.032
123 2HB ALA 39 2HB ALA 39 0.446 1.929 0.352
124 3HB ALA 39 3HB ALA 39 0.624 3.220 1.551
125 HA PRO 40 HA PRO 40 -3.616 -0.328 -0.864
126 1HB PRO 40 2HB PRO 40 -2.497 -0.949 -3.260
127 2HB PRO 40 1HB PRO 40 -3.628 0.424 -3.071
128 1HG PRO 40 1HG PRO 40 -0.595 0.494 -3.105
129 2HG PRO 40 2HG PRO 40 -1.732 1.521 -4.031
130 1HD PRO 40 1HD PRO 40 -0.586 2.310 -1.668
131 2HD PRO 40 2HD PRO 40 -2.231 2.825 -2.145
132 H LYS 41 H LYS 41 -2.905 -2.605 -1.437
133 HA LYS 41 HA LYS 41 -1.170 -3.715 0.444
134 1HB LYS 41 1HB LYS 41 -3.116 -4.725 -0.890
135 2HB LYS 41 2HB LYS 41 -1.955 -5.039 -2.179
136 1HG LYS 41 1HG LYS 41 -0.653 -6.493 -0.656
137 2HG LYS 41 2HG LYS 41 -1.721 -6.059 0.695
138 1HD LYS 41 1HD LYS 41 -3.636 -7.101 -0.493
139 2HD LYS 41 2HD LYS 41 -2.564 -7.522 -1.849
140 1HE LYS 41 1HE LYS 41 -1.156 -8.872 -0.296
141 2HE LYS 41 2HE LYS 41 -2.243 -8.468 1.038
142 1HZ LYS 41 3HZ LYS 41 -4.031 -9.616 -0.162
143 2HZ LYS 41 1HZ LYS 41 -3.023 -9.991 -1.393
144 3HZ LYS 41 2HZ LYS 41 -2.782 -10.632 0.086
145 H VAL 42 H VAL 42 -0.137 -2.294 -2.455
146 HA VAL 42 HA VAL 42 2.394 -3.496 -2.952
147 HB VAL 42 HB VAL 42 1.587 -0.559 -3.077
148 1HG1 VAL 42 3HG1 VAL 42 3.835 -2.052 -4.482
149 2HG1 VAL 42 1HG1 VAL 42 3.334 -0.384 -4.839
150 3HG1 VAL 42 2HG1 VAL 42 4.015 -0.771 -3.262
151 1HG2 VAL 42 2HG2 VAL 42 1.456 -2.730 -5.217
152 2HG2 VAL 42 3HG2 VAL 42 0.064 -1.921 -4.463
153 3HG2 VAL 42 1HG2 VAL 42 1.161 -1.000 -5.488
154 H CYS 43 H CYS 43 1.358 -1.300 -0.345
155 HA CYS 43 HA CYS 43 3.977 -1.509 1.025
156 1HB CYS 43 1HB CYS 43 4.013 0.334 -0.715
157 2HB CYS 43 2HB CYS 43 2.734 1.149 0.194
158 H PHE 44 H PHE 44 3.351 0.701 2.689
159 HA PHE 44 HA PHE 44 0.724 0.253 3.968
160 1HB PHE 44 1HB PHE 44 1.537 -0.050 6.147
161 2HB PHE 44 2HB PHE 44 2.465 -1.169 5.170
162 HD1 PHE 44 HD1 PHE 44 2.569 1.658 7.441
163 HD2 PHE 44 HD2 PHE 44 4.888 -0.510 4.517
164 HE1 PHE 44 HE1 PHE 44 4.645 2.709 8.306
165 HE2 PHE 44 HE2 PHE 44 6.959 0.549 5.386
166 HZ PHE 44 HZ PHE 44 6.842 2.161 7.274
167 H LYS 45 H LYS 45 3.392 2.367 3.170
168 HA LYS 45 HA LYS 45 1.796 4.749 3.817
169 1HB LYS 45 1HB LYS 45 2.864 4.204 5.986
170 2HB LYS 45 2HB LYS 45 4.445 4.157 5.220
171 1HG LYS 45 1HG LYS 45 4.183 6.205 6.453
172 2HG LYS 45 2HG LYS 45 4.295 6.588 4.737
173 1HD LYS 45 1HD LYS 45 1.837 6.917 4.633
174 2HD LYS 45 2HD LYS 45 1.697 6.436 6.342
175 1HE LYS 45 1HE LYS 45 3.186 8.337 6.975
176 2HE LYS 45 2HE LYS 45 3.288 8.817 5.277
177 1HZ LYS 45 3HZ LYS 45 0.876 9.204 5.315
178 2HZ LYS 45 1HZ LYS 45 0.790 8.764 6.892
179 3HZ LYS 45 2HZ LYS 45 1.609 10.106 6.459
180 H CYS 46 H CYS 46 5.213 3.852 3.036
181 HA CYS 46 HA CYS 46 5.671 6.320 1.713
182 1HB CYS 46 1HB CYS 46 7.900 5.076 1.162
183 2HB CYS 46 2HB CYS 46 7.492 5.538 2.812
184 H LYS 47 H LYS 47 4.843 3.180 0.386
185 HA LYS 47 HA LYS 47 4.384 2.452 -1.742
186 1HB LYS 47 1HB LYS 47 2.337 3.479 -2.483
187 2HB LYS 47 2HB LYS 47 2.419 3.368 -0.731
188 1HG LYS 47 1HG LYS 47 3.137 5.818 -0.700
189 2HG LYS 47 2HG LYS 47 2.762 5.882 -2.426
190 1HD LYS 47 1HD LYS 47 0.419 5.390 -1.970
191 2HD LYS 47 2HD LYS 47 0.790 4.996 -0.273
192 1HE LYS 47 1HE LYS 47 1.628 7.323 0.065
193 2HE LYS 47 2HE LYS 47 1.109 7.732 -1.580
194 1HZ LYS 47 2HZ LYS 47 -0.682 6.747 0.579
195 2HZ LYS 47 3HZ LYS 47 -0.560 8.315 0.110
196 3HZ LYS 47 1HZ LYS 47 -1.159 7.203 -0.934
197 H GLN 48 H GLN 48 6.850 4.048 -2.042
198 HA GLN 48 HA GLN 48 6.715 5.453 -4.531
199 1HB GLN 48 1HB GLN 48 9.094 4.111 -3.180
200 2HB GLN 48 2HB GLN 48 9.205 5.243 -4.518
201 1HG GLN 48 1HG GLN 48 8.211 5.848 -1.706
202 2HG GLN 48 2HG GLN 48 9.711 6.379 -2.441
203 1HE2 GLN 48 2HE2 GLN 48 6.406 7.203 -1.941
204 2HE2 GLN 48 1HE2 GLN 48 6.383 8.599 -3.025
205 HA PRO 49 HA PRO 49 6.200 2.717 -7.729
206 1HB PRO 49 2HB PRO 49 8.809 3.602 -8.983
207 2HB PRO 49 1HB PRO 49 7.206 3.394 -9.757
208 1HG PRO 49 1HG PRO 49 8.012 5.854 -9.009
209 2HG PRO 49 2HG PRO 49 6.337 5.325 -8.643
210 1HD PRO 49 1HD PRO 49 8.724 5.432 -6.803
211 2HD PRO 49 2HD PRO 49 7.025 5.891 -6.500
212 H GLY 50 H GLY 50 9.384 2.080 -6.330
213 1HA GLY 50 2HA GLY 50 10.490 0.002 -7.600
214 2HA GLY 50 1HA GLY 50 9.046 -0.804 -6.987
215 H HIS 51 H HIS 51 9.816 1.383 -4.610
216 HA HIS 51 HA HIS 51 12.114 0.310 -3.352
217 1HB HIS 51 1HB HIS 51 11.564 1.714 -1.563
218 2HB HIS 51 2HB HIS 51 10.881 2.548 -2.950
219 HD1 HIS 51 HD1 HIS 51 7.972 1.755 -3.203
220 HD2 HIS 51 HD2 HIS 51 10.041 1.317 0.443
221 HE1 HIS 51 HE1 HIS 51 6.227 1.248 -1.434
222 H PHE 52 H PHE 52 8.802 -0.807 -3.264
223 HA PHE 52 HA PHE 52 8.648 -1.782 -0.668
224 1HB PHE 52 1HB PHE 52 6.708 -3.156 -1.621
225 2HB PHE 52 2HB PHE 52 6.642 -1.414 -1.735
226 HD1 PHE 52 HD1 PHE 52 7.120 -4.547 -3.695
227 HD2 PHE 52 HD2 PHE 52 6.623 -0.263 -3.862
228 HE1 PHE 52 HE1 PHE 52 6.762 -4.675 -6.146
229 HE2 PHE 52 HE2 PHE 52 6.241 -0.403 -6.300
230 HZ PHE 52 HZ PHE 52 6.326 -2.603 -7.457
231 H SER 53 H SER 53 9.580 -3.663 -3.574
232 HA SER 53 HA SER 53 9.824 -6.197 -2.353
233 1HB SER 53 1HB SER 53 11.450 -5.048 -4.654
234 2HB SER 53 2HB SER 53 11.222 -6.769 -4.282
235 HG SER 53 HG SER 53 9.773 -6.037 -5.907
236 H LYS 54 H LYS 54 11.728 -3.488 -1.656
237 HA LYS 54 HA LYS 54 13.977 -5.113 -0.530
238 1HB LYS 54 1HB LYS 54 14.124 -2.331 -1.771
239 2HB LYS 54 2HB LYS 54 15.479 -3.262 -1.145
240 1HG LYS 54 1HG LYS 54 13.818 -4.000 -3.593
241 2HG LYS 54 2HG LYS 54 15.396 -3.223 -3.603
242 1HD LYS 54 1HD LYS 54 16.448 -5.188 -2.590
243 2HD LYS 54 2HD LYS 54 14.876 -6.000 -2.451
244 1HE LYS 54 1HE LYS 54 14.598 -5.874 -4.922
245 2HE LYS 54 2HE LYS 54 16.187 -5.112 -5.057
246 1HZ LYS 54 2HZ LYS 54 15.692 -7.839 -3.976
247 2HZ LYS 54 3HZ LYS 54 16.308 -7.509 -5.450
248 3HZ LYS 54 1HZ LYS 54 17.164 -7.138 -4.112
249 H GLN 55 H GLN 55 11.357 -3.602 0.537
250 HA GLN 55 HA GLN 55 12.651 -2.809 3.066
251 1HB GLN 55 1HB GLN 55 12.647 -0.746 1.587
252 2HB GLN 55 2HB GLN 55 10.883 -0.818 1.588
253 1HG GLN 55 1HG GLN 55 10.984 -0.679 4.142
254 2HG GLN 55 2HG GLN 55 12.726 -0.433 3.994
255 1HE2 GLN 55 1HE2 GLN 55 9.530 0.952 3.412
256 2HE2 GLN 55 2HE2 GLN 55 10.085 2.599 3.152
257 H CYS 56 H CYS 56 9.495 -2.904 1.331
258 HA CYS 56 HA CYS 56 8.106 -3.178 3.946
259 1HB CYS 56 1HB CYS 56 7.135 -2.202 1.228
260 2HB CYS 56 2HB CYS 56 6.199 -2.214 2.727
261 H ARG 57 H ARG 57 8.552 -4.869 0.942
262 HA ARG 57 HA ARG 57 6.643 -7.065 1.697
263 1HB ARG 57 1HB ARG 57 7.369 -6.030 -1.077
264 2HB ARG 57 2HB ARG 57 6.294 -7.377 -0.748
265 1HG ARG 57 1HG ARG 57 5.714 -4.476 -0.035
266 2HG ARG 57 2HG ARG 57 5.123 -5.356 -1.438
267 1HD ARG 57 1HD ARG 57 3.306 -5.583 -0.117
268 2HD ARG 57 2HD ARG 57 4.159 -7.043 0.374
269 HE ARG 57 HE ARG 57 5.058 -5.680 2.315
270 1HH1 ARG 57 2HH2 ARG 57 2.018 -4.574 0.925
271 2HH1 ARG 57 1HH2 ARG 57 1.772 -3.457 2.239
272 1HH2 ARG 57 2HH1 ARG 57 4.606 -4.399 3.944
273 2HH2 ARG 57 1HH1 ARG 57 3.084 -3.533 4.025
274 H SER 58 H SER 58 9.730 -6.496 1.876
275 HA SER 58 HA SER 58 11.329 -8.104 0.344
276 1HB SER 58 1HB SER 58 11.578 -7.739 3.348
277 2HB SER 58 2HB SER 58 12.879 -8.144 2.211
278 HG SER 58 HG SER 58 12.798 -5.883 2.691
No H/Q in entry = 278
Start of MODEL 6
1 H1 GLN 22 H3 GLN 22 -7.105 0.980 -5.618
2 H2 GLN 22 H2 GLN 22 -7.158 0.544 -7.208
3 H3 GLN 22 H1 GLN 22 -8.178 -0.149 -6.121
4 HA GLN 22 HA GLN 22 -6.474 -1.701 -6.655
5 1HB GLN 22 1HB GLN 22 -4.757 -0.031 -7.310
6 2HB GLN 22 2HB GLN 22 -4.577 0.455 -5.626
7 1HG GLN 22 1HG GLN 22 -2.746 -0.992 -6.295
8 2HG GLN 22 2HG GLN 22 -3.698 -1.800 -5.059
9 1HE2 GLN 22 1HE2 GLN 22 -2.132 -2.385 -7.968
10 2HE2 GLN 22 2HE2 GLN 22 -3.098 -3.768 -8.470
11 H THR 23 H THR 23 -6.226 -3.299 -5.125
12 HA THR 23 HA THR 23 -7.737 -3.175 -2.841
13 HB THR 23 HB THR 23 -5.386 -5.046 -3.254
14 HG1 THR 23 HG1 THR 23 -6.891 -6.274 -4.394
15 1HG2 THR 23 1HG2 THR 23 -8.058 -5.392 -1.816
16 2HG2 THR 23 2HG2 THR 23 -6.872 -6.684 -2.099
17 3HG2 THR 23 3HG2 THR 23 -6.456 -5.333 -1.040
18 H CYS 24 H CYS 24 -7.593 -2.639 -0.781
19 HA CYS 24 HA CYS 24 -5.707 -0.925 0.303
20 1HB CYS 24 1HB CYS 24 -8.080 -1.478 1.038
21 2HB CYS 24 2HB CYS 24 -7.431 -2.919 1.815
22 H TYR 25 H TYR 25 -4.030 -1.072 1.811
23 HA TYR 25 HA TYR 25 -2.437 -3.461 2.023
24 1HB TYR 25 1HB TYR 25 -0.982 -2.275 3.288
25 2HB TYR 25 2HB TYR 25 -1.667 -1.018 2.288
26 HD1 TYR 25 HD1 TYR 25 -0.486 -1.642 5.436
27 HD2 TYR 25 HD2 TYR 25 -4.025 -0.010 3.575
28 HE1 TYR 25 HE1 TYR 25 -1.009 -0.392 7.519
29 HE2 TYR 25 HE2 TYR 25 -4.571 1.180 5.684
30 HH TYR 25 HH TYR 25 -2.502 0.983 8.588
31 H ASN 26 H ASN 26 -5.247 -2.479 3.722
32 HA ASN 26 HA ASN 26 -4.789 -4.480 5.920
33 1HB ASN 26 1HB ASN 26 -4.395 -2.223 6.711
34 2HB ASN 26 2HB ASN 26 -5.869 -1.626 5.954
35 1HD2 ASN 26 2HD2 ASN 26 -7.906 -1.968 6.997
36 2HD2 ASN 26 1HD2 ASN 26 -7.961 -2.604 8.634
37 H CYS 27 H CYS 27 -7.348 -2.637 4.181
38 HA CYS 27 HA CYS 27 -9.455 -4.083 5.462
39 1HB CYS 27 1HB CYS 27 -9.548 -2.177 3.086
40 2HB CYS 27 2HB CYS 27 -10.880 -2.586 4.177
41 H GLY 28 H GLY 28 -7.717 -4.785 2.554
42 1HA GLY 28 2HA GLY 28 -9.215 -7.138 1.906
43 2HA GLY 28 1HA GLY 28 -7.933 -6.404 0.942
44 H LYS 29 H LYS 29 -10.050 -3.923 1.118
45 HA LYS 29 HA LYS 29 -12.033 -4.767 -0.917
46 1HB LYS 29 1HB LYS 29 -11.580 -2.344 0.799
47 2HB LYS 29 2HB LYS 29 -12.427 -2.130 -0.724
48 1HG LYS 29 1HG LYS 29 -14.024 -2.363 0.989
49 2HG LYS 29 2HG LYS 29 -14.142 -3.765 -0.064
50 1HD LYS 29 1HD LYS 29 -12.541 -3.872 2.518
51 2HD LYS 29 2HD LYS 29 -14.300 -4.016 2.541
52 1HE LYS 29 1HE LYS 29 -14.257 -5.958 1.074
53 2HE LYS 29 2HE LYS 29 -12.508 -5.831 0.884
54 1HZ LYS 29 1HZ LYS 29 -13.885 -6.369 3.457
55 2HZ LYS 29 2HZ LYS 29 -13.077 -7.478 2.567
56 3HZ LYS 29 3HZ LYS 29 -12.262 -6.234 3.260
57 HA PRO 30 HA PRO 30 -9.249 -3.637 -4.339
58 1HB PRO 30 2HB PRO 30 -11.920 -3.541 -5.739
59 2HB PRO 30 1HB PRO 30 -10.370 -4.240 -6.303
60 1HG PRO 30 1HG PRO 30 -12.295 -5.853 -5.312
61 2HG PRO 30 2HG PRO 30 -10.587 -6.100 -4.815
62 1HD PRO 30 1HD PRO 30 -12.801 -4.697 -3.305
63 2HD PRO 30 2HD PRO 30 -11.576 -5.860 -2.715
64 H GLY 31 H GLY 31 -12.168 -1.776 -3.543
65 1HA GLY 31 2HA GLY 31 -12.862 0.368 -3.988
66 2HA GLY 31 1HA GLY 31 -11.620 0.486 -5.231
67 H HIS 32 H HIS 32 -9.336 0.081 -3.503
68 HA HIS 32 HA HIS 32 -9.434 2.447 -1.694
69 1HB HIS 32 1HB HIS 32 -7.989 -0.168 -1.588
70 2HB HIS 32 2HB HIS 32 -7.167 1.244 -0.939
71 HD1 HIS 32 HD1 HIS 32 -10.563 -0.559 -0.442
72 HD2 HIS 32 HD2 HIS 32 -7.770 1.912 1.468
73 HE1 HIS 32 HE1 HIS 32 -11.358 -0.316 1.989
74 H LEU 33 H LEU 33 -7.639 3.714 -1.440
75 HA LEU 33 HA LEU 33 -5.747 4.300 -3.592
76 1HB LEU 33 1HB LEU 33 -8.107 6.102 -2.827
77 2HB LEU 33 2HB LEU 33 -6.719 6.661 -3.749
78 HG LEU 33 HG LEU 33 -8.713 4.573 -4.715
79 1HD1 LEU 33 1HD1 LEU 33 -9.677 6.824 -4.531
80 2HD1 LEU 33 2HD1 LEU 33 -8.330 7.493 -5.477
81 3HD1 LEU 33 3HD1 LEU 33 -9.469 6.349 -6.225
82 1HD2 LEU 33 2HD2 LEU 33 -6.416 5.987 -6.154
83 2HD2 LEU 33 3HD2 LEU 33 -6.477 4.257 -5.745
84 3HD2 LEU 33 1HD2 LEU 33 -7.620 4.925 -6.915
85 H SER 34 H SER 34 -4.460 6.294 -2.870
86 HA SER 34 HA SER 34 -3.613 6.376 -0.185
87 1HB SER 34 1HB SER 34 -3.595 8.655 -2.196
88 2HB SER 34 2HB SER 34 -2.518 8.459 -0.800
89 HG SER 34 HG SER 34 -1.674 7.775 -2.914
90 H SER 35 H SER 35 -6.510 7.750 -1.522
91 HA SER 35 HA SER 35 -7.011 9.571 0.757
92 1HB SER 35 1HB SER 35 -9.005 10.194 -0.605
93 2HB SER 35 2HB SER 35 -7.467 10.427 -1.453
94 HG SER 35 HG SER 35 -9.057 9.370 -2.757
95 H GLN 36 H GLN 36 -7.476 6.297 0.170
96 HA GLN 36 HA GLN 36 -10.056 6.132 1.675
97 1HB GLN 36 1HB GLN 36 -9.654 5.078 -0.697
98 2HB GLN 36 2HB GLN 36 -8.703 3.886 0.177
99 1HG GLN 36 1HG GLN 36 -10.793 2.866 0.069
100 2HG GLN 36 2HG GLN 36 -10.871 3.604 1.661
101 1HE2 GLN 36 2HE2 GLN 36 -12.181 3.571 -1.619
102 2HE2 GLN 36 1HE2 GLN 36 -13.419 4.787 -1.314
103 H CYS 37 H CYS 37 -6.739 4.848 1.527
104 HA CYS 37 HA CYS 37 -6.558 4.718 4.450
105 1HB CYS 37 1HB CYS 37 -6.121 2.305 2.640
106 2HB CYS 37 2HB CYS 37 -5.218 2.490 4.117
107 H ARG 38 H ARG 38 -4.175 4.244 5.004
108 HA ARG 38 HA ARG 38 -2.476 6.235 3.915
109 1HB ARG 38 1HB ARG 38 -1.867 3.754 5.572
110 2HB ARG 38 2HB ARG 38 -0.670 4.994 5.196
111 1HG ARG 38 1HG ARG 38 -1.394 6.385 6.772
112 2HG ARG 38 2HG ARG 38 -3.063 6.292 6.241
113 1HD ARG 38 1HD ARG 38 -1.690 4.256 8.047
114 2HD ARG 38 2HD ARG 38 -2.696 5.580 8.622
115 HE ARG 38 HE ARG 38 -3.578 3.040 7.586
116 1HH1 ARG 38 2HH2 ARG 38 -4.676 6.364 7.905
117 2HH1 ARG 38 1HH2 ARG 38 -6.350 5.904 7.784
118 1HH2 ARG 38 2HH1 ARG 38 -5.717 2.551 7.402
119 2HH2 ARG 38 1HH1 ARG 38 -6.913 3.805 7.434
120 H ALA 39 H ALA 39 -2.750 2.853 2.864
121 HA ALA 39 HA ALA 39 -1.618 3.634 0.328
122 1HB ALA 39 3HB ALA 39 -0.132 1.560 2.009
123 2HB ALA 39 1HB ALA 39 0.242 1.949 0.326
124 3HB ALA 39 2HB ALA 39 0.489 3.173 1.577
125 HA PRO 40 HA PRO 40 -3.717 -0.291 -0.903
126 1HB PRO 40 2HB PRO 40 -2.562 -0.745 -3.317
127 2HB PRO 40 1HB PRO 40 -3.763 0.562 -3.076
128 1HG PRO 40 1HG PRO 40 -0.735 0.781 -3.086
129 2HG PRO 40 2HG PRO 40 -1.918 1.791 -3.977
130 1HD PRO 40 1HD PRO 40 -0.830 2.537 -1.578
131 2HD PRO 40 2HD PRO 40 -2.500 2.979 -2.037
132 H LYS 41 H LYS 41 -2.929 -2.513 -1.476
133 HA LYS 41 HA LYS 41 -1.169 -3.468 0.447
134 1HB LYS 41 1HB LYS 41 -3.080 -4.639 -0.817
135 2HB LYS 41 2HB LYS 41 -1.931 -4.945 -2.106
136 1HG LYS 41 1HG LYS 41 -2.251 -6.900 -0.683
137 2HG LYS 41 2HG LYS 41 -0.579 -6.357 -0.587
138 1HD LYS 41 1HD LYS 41 -1.000 -5.317 1.603
139 2HD LYS 41 2HD LYS 41 -2.737 -5.689 1.465
140 1HE LYS 41 1HE LYS 41 -2.227 -8.099 1.482
141 2HE LYS 41 2HE LYS 41 -0.495 -7.748 1.579
142 1HZ LYS 41 1HZ LYS 41 -2.491 -6.939 3.634
143 2HZ LYS 41 2HZ LYS 41 -1.467 -8.204 3.777
144 3HZ LYS 41 3HZ LYS 41 -0.886 -6.680 3.729
145 H VAL 42 H VAL 42 -0.127 -2.240 -2.537
146 HA VAL 42 HA VAL 42 2.396 -3.464 -2.945
147 HB VAL 42 HB VAL 42 1.674 -0.512 -3.194
148 1HG1 VAL 42 3HG1 VAL 42 3.830 -2.162 -4.576
149 2HG1 VAL 42 1HG1 VAL 42 3.400 -0.488 -4.988
150 3HG1 VAL 42 2HG1 VAL 42 4.097 -0.845 -3.411
151 1HG2 VAL 42 3HG2 VAL 42 1.404 -2.774 -5.223
152 2HG2 VAL 42 1HG2 VAL 42 0.071 -1.848 -4.497
153 3HG2 VAL 42 2HG2 VAL 42 1.199 -1.046 -5.583
154 H CYS 43 H CYS 43 1.364 -1.203 -0.426
155 HA CYS 43 HA CYS 43 3.970 -1.360 0.977
156 1HB CYS 43 1HB CYS 43 3.956 0.478 -0.768
157 2HB CYS 43 2HB CYS 43 2.645 1.256 0.129
158 H PHE 44 H PHE 44 3.411 0.670 2.728
159 HA PHE 44 HA PHE 44 0.710 0.322 3.919
160 1HB PHE 44 1HB PHE 44 1.493 0.158 6.116
161 2HB PHE 44 2HB PHE 44 2.465 -0.995 5.222
162 HD1 PHE 44 HD1 PHE 44 2.470 1.962 7.326
163 HD2 PHE 44 HD2 PHE 44 4.880 -0.310 4.560
164 HE1 PHE 44 HE1 PHE 44 4.510 3.116 8.151
165 HE2 PHE 44 HE2 PHE 44 6.910 0.858 5.380
166 HZ PHE 44 HZ PHE 44 6.730 2.575 7.168
167 H LYS 45 H LYS 45 3.302 2.420 2.929
168 HA LYS 45 HA LYS 45 1.687 4.818 3.450
169 1HB LYS 45 1HB LYS 45 2.806 4.410 5.622
170 2HB LYS 45 2HB LYS 45 4.386 4.449 4.838
171 1HG LYS 45 1HG LYS 45 3.983 6.814 4.165
172 2HG LYS 45 2HG LYS 45 2.393 6.766 4.938
173 1HD LYS 45 1HD LYS 45 5.064 6.352 6.363
174 2HD LYS 45 2HD LYS 45 4.169 7.875 6.303
175 1HE LYS 45 1HE LYS 45 2.235 6.786 7.433
176 2HE LYS 45 2HE LYS 45 3.150 5.276 7.537
177 1HZ LYS 45 1HZ LYS 45 4.793 6.448 8.912
178 2HZ LYS 45 2HZ LYS 45 3.942 7.838 8.819
179 3HZ LYS 45 3HZ LYS 45 3.316 6.550 9.596
180 H CYS 46 H CYS 46 5.143 4.024 2.752
181 HA CYS 46 HA CYS 46 5.581 6.341 1.258
182 1HB CYS 46 1HB CYS 46 7.654 4.679 0.538
183 2HB CYS 46 2HB CYS 46 7.569 5.698 1.964
184 H LYS 47 H LYS 47 4.619 3.193 0.059
185 HA LYS 47 HA LYS 47 4.115 2.354 -1.996
186 1HB LYS 47 1HB LYS 47 2.154 3.358 -2.869
187 2HB LYS 47 2HB LYS 47 2.174 3.523 -1.119
188 1HG LYS 47 1HG LYS 47 2.859 5.914 -1.345
189 2HG LYS 47 2HG LYS 47 2.910 5.733 -3.097
190 1HD LYS 47 1HD LYS 47 0.839 6.804 -2.543
191 2HD LYS 47 2HD LYS 47 0.480 5.173 -3.094
192 1HE LYS 47 1HE LYS 47 -0.923 5.577 -1.218
193 2HE LYS 47 2HE LYS 47 0.320 4.450 -0.673
194 1HZ LYS 47 2HZ LYS 47 0.351 7.383 -0.175
195 2HZ LYS 47 3HZ LYS 47 -0.060 6.233 0.925
196 3HZ LYS 47 1HZ LYS 47 1.470 6.309 0.386
197 H GLN 48 H GLN 48 6.650 3.991 -2.348
198 HA GLN 48 HA GLN 48 6.570 5.116 -4.963
199 1HB GLN 48 1HB GLN 48 8.939 3.932 -3.461
200 2HB GLN 48 2HB GLN 48 9.054 4.959 -4.881
201 1HG GLN 48 1HG GLN 48 8.006 5.758 -2.138
202 2HG GLN 48 2HG GLN 48 9.509 6.258 -2.888
203 1HE2 GLN 48 2HE2 GLN 48 6.190 7.072 -2.484
204 2HE2 GLN 48 1HE2 GLN 48 6.160 8.379 -3.674
205 HA PRO 49 HA PRO 49 6.098 2.087 -7.876
206 1HB PRO 49 2HB PRO 49 8.695 2.873 -9.216
207 2HB PRO 49 1HB PRO 49 7.091 2.578 -9.961
208 1HG PRO 49 1HG PRO 49 7.883 5.106 -9.452
209 2HG PRO 49 2HG PRO 49 6.211 4.602 -9.037
210 1HD PRO 49 1HD PRO 49 8.596 4.904 -7.216
211 2HD PRO 49 2HD PRO 49 6.892 5.374 -6.958
212 H GLY 50 H GLY 50 9.339 1.671 -6.503
213 1HA GLY 50 2HA GLY 50 10.477 -0.501 -7.514
214 2HA GLY 50 1HA GLY 50 9.057 -1.284 -6.825
215 H HIS 51 H HIS 51 9.690 1.130 -4.664
216 HA HIS 51 HA HIS 51 12.034 0.290 -3.304
217 1HB HIS 51 1HB HIS 51 11.421 1.823 -1.655
218 2HB HIS 51 2HB HIS 51 10.720 2.499 -3.113
219 HD1 HIS 51 HD1 HIS 51 7.839 1.504 -3.294
220 HD2 HIS 51 HD2 HIS 51 9.897 1.708 0.382
221 HE1 HIS 51 HE1 HIS 51 6.102 1.200 -1.474
222 H PHE 52 H PHE 52 8.782 -1.020 -3.149
223 HA PHE 52 HA PHE 52 8.757 -1.933 -0.499
224 1HB PHE 52 1HB PHE 52 6.894 -3.413 -1.262
225 2HB PHE 52 2HB PHE 52 6.729 -1.713 -1.649
226 HD1 PHE 52 HD1 PHE 52 6.723 -0.898 -3.952
227 HD2 PHE 52 HD2 PHE 52 7.283 -5.090 -3.082
228 HE1 PHE 52 HE1 PHE 52 6.334 -1.448 -6.334
229 HE2 PHE 52 HE2 PHE 52 6.898 -5.630 -5.471
230 HZ PHE 52 HZ PHE 52 6.428 -3.811 -7.104
231 H SER 53 H SER 53 9.829 -3.738 -3.414
232 HA SER 53 HA SER 53 10.426 -6.196 -2.194
233 1HB SER 53 1HB SER 53 11.851 -4.855 -4.521
234 2HB SER 53 2HB SER 53 11.874 -6.588 -4.136
235 HG SER 53 HG SER 53 10.308 -6.091 -5.734
236 H LYS 54 H LYS 54 11.983 -3.294 -1.437
237 HA LYS 54 HA LYS 54 14.213 -4.743 -0.105
238 1HB LYS 54 1HB LYS 54 15.802 -3.010 -0.745
239 2HB LYS 54 2HB LYS 54 15.118 -3.799 -2.162
240 1HG LYS 54 1HG LYS 54 13.633 -1.875 -2.573
241 2HG LYS 54 2HG LYS 54 14.166 -1.108 -1.071
242 1HD LYS 54 1HD LYS 54 15.272 -0.035 -2.903
243 2HD LYS 54 2HD LYS 54 16.480 -0.955 -1.991
244 1HE LYS 54 1HE LYS 54 16.340 -2.788 -3.680
245 2HE LYS 54 2HE LYS 54 15.115 -1.872 -4.570
246 1HZ LYS 54 2HZ LYS 54 16.786 -0.129 -4.930
247 2HZ LYS 54 3HZ LYS 54 17.914 -0.979 -4.109
248 3HZ LYS 54 1HZ LYS 54 17.327 -1.550 -5.519
249 H GLN 55 H GLN 55 11.528 -3.325 0.686
250 HA GLN 55 HA GLN 55 12.638 -2.358 3.228
251 1HB GLN 55 1HB GLN 55 12.603 -0.335 1.677
252 2HB GLN 55 2HB GLN 55 10.845 -0.479 1.639
253 1HG GLN 55 1HG GLN 55 10.902 -0.310 4.204
254 2HG GLN 55 2HG GLN 55 12.626 0.043 4.066
255 1HE2 GLN 55 1HE2 GLN 55 9.356 1.203 3.416
256 2HE2 GLN 55 2HE2 GLN 55 9.801 2.880 3.135
257 H CYS 56 H CYS 56 9.554 -2.487 1.374
258 HA CYS 56 HA CYS 56 8.069 -2.969 3.892
259 1HB CYS 56 1HB CYS 56 7.125 -1.999 1.164
260 2HB CYS 56 2HB CYS 56 6.163 -2.080 2.644
261 H ARG 57 H ARG 57 9.181 -4.813 1.359
262 HA ARG 57 HA ARG 57 7.448 -7.108 1.988
263 1HB ARG 57 1HB ARG 57 6.648 -5.527 -0.058
264 2HB ARG 57 2HB ARG 57 7.884 -6.396 -0.934
265 1HG ARG 57 1HG ARG 57 5.625 -7.346 -1.228
266 2HG ARG 57 2HG ARG 57 6.721 -8.529 -0.523
267 1HD ARG 57 1HD ARG 57 4.411 -8.500 0.494
268 2HD ARG 57 2HD ARG 57 5.719 -8.322 1.646
269 HE ARG 57 HE ARG 57 5.151 -6.070 2.044
270 1HH1 ARG 57 1HH1 ARG 57 3.061 -7.268 -0.530
271 2HH1 ARG 57 2HH1 ARG 57 2.067 -5.819 -0.444
272 1HH2 ARG 57 2HH2 ARG 57 3.779 -4.341 2.074
273 2HH2 ARG 57 1HH2 ARG 57 2.440 -4.282 0.935
274 H SER 58 H SER 58 10.345 -6.278 2.236
275 HA SER 58 HA SER 58 12.164 -7.583 0.611
276 1HB SER 58 1HB SER 58 12.304 -7.349 3.637
277 2HB SER 58 2HB SER 58 13.667 -7.568 2.523
278 HG SER 58 HG SER 58 13.334 -5.347 3.113
No H/Q in entry = 278
Start of MODEL 7
1 H1 GLN 22 H1 GLN 22 -8.062 -0.472 -6.212
2 H2 GLN 22 H3 GLN 22 -7.098 0.762 -5.746
3 H3 GLN 22 H2 GLN 22 -7.051 0.226 -7.303
4 HA GLN 22 HA GLN 22 -6.184 -1.915 -6.585
5 1HB GLN 22 1HB GLN 22 -4.618 0.524 -5.636
6 2HB GLN 22 2HB GLN 22 -3.954 -1.105 -5.623
7 1HG GLN 22 1HG GLN 22 -4.920 0.320 -8.147
8 2HG GLN 22 2HG GLN 22 -3.260 0.258 -7.579
9 1HE2 GLN 22 1HE2 GLN 22 -2.847 -0.747 -9.762
10 2HE2 GLN 22 2HE2 GLN 22 -3.112 -2.481 -9.899
11 H THR 23 H THR 23 -6.263 -3.437 -5.022
12 HA THR 23 HA THR 23 -7.759 -3.164 -2.752
13 HB THR 23 HB THR 23 -5.482 -5.151 -3.045
14 HG1 THR 23 HG1 THR 23 -6.981 -6.350 -4.229
15 1HG2 THR 23 1HG2 THR 23 -8.247 -5.390 -1.765
16 2HG2 THR 23 2HG2 THR 23 -7.064 -6.700 -1.927
17 3HG2 THR 23 3HG2 THR 23 -6.700 -5.325 -0.881
18 H CYS 24 H CYS 24 -7.580 -2.627 -0.681
19 HA CYS 24 HA CYS 24 -5.607 -0.978 0.357
20 1HB CYS 24 1HB CYS 24 -8.010 -1.421 1.099
21 2HB CYS 24 2HB CYS 24 -7.404 -2.847 1.941
22 H TYR 25 H TYR 25 -3.976 -1.187 1.906
23 HA TYR 25 HA TYR 25 -2.487 -3.666 2.179
24 1HB TYR 25 1HB TYR 25 -0.973 -2.477 3.398
25 2HB TYR 25 2HB TYR 25 -1.601 -1.232 2.339
26 HD1 TYR 25 HD1 TYR 25 -0.509 -1.811 5.556
27 HD2 TYR 25 HD2 TYR 25 -3.890 -0.040 3.540
28 HE1 TYR 25 HE1 TYR 25 -0.999 -0.440 7.570
29 HE2 TYR 25 HE2 TYR 25 -4.406 1.271 5.569
30 HH TYR 25 HH TYR 25 -2.413 1.089 8.535
31 H ASN 26 H ASN 26 -5.297 -2.508 3.737
32 HA ASN 26 HA ASN 26 -4.957 -4.355 6.087
33 1HB ASN 26 1HB ASN 26 -4.447 -2.072 6.738
34 2HB ASN 26 2HB ASN 26 -5.884 -1.450 5.934
35 1HD2 ASN 26 1HD2 ASN 26 -7.943 -1.636 6.979
36 2HD2 ASN 26 2HD2 ASN 26 -8.035 -2.166 8.653
37 H CYS 27 H CYS 27 -7.377 -2.499 4.178
38 HA CYS 27 HA CYS 27 -9.578 -3.748 5.506
39 1HB CYS 27 1HB CYS 27 -9.517 -1.941 3.059
40 2HB CYS 27 2HB CYS 27 -10.898 -2.240 4.119
41 H GLY 28 H GLY 28 -7.788 -4.962 2.894
42 1HA GLY 28 2HA GLY 28 -9.410 -7.201 2.382
43 2HA GLY 28 1HA GLY 28 -8.120 -6.612 1.328
44 H LYS 29 H LYS 29 -9.385 -4.090 0.701
45 HA LYS 29 HA LYS 29 -11.870 -4.842 -0.793
46 1HB LYS 29 1HB LYS 29 -12.261 -3.618 1.292
47 2HB LYS 29 2HB LYS 29 -11.176 -2.351 0.785
48 1HG LYS 29 1HG LYS 29 -13.446 -1.605 0.491
49 2HG LYS 29 2HG LYS 29 -12.699 -1.758 -1.087
50 1HD LYS 29 1HD LYS 29 -15.020 -2.575 -1.107
51 2HD LYS 29 2HD LYS 29 -13.888 -3.852 -1.516
52 1HE LYS 29 1HE LYS 29 -15.575 -4.776 -0.081
53 2HE LYS 29 2HE LYS 29 -14.052 -4.756 0.804
54 1HZ LYS 29 3HZ LYS 29 -16.235 -2.756 1.114
55 2HZ LYS 29 1HZ LYS 29 -15.910 -3.959 2.162
56 3HZ LYS 29 2HZ LYS 29 -14.838 -2.748 1.965
57 HA PRO 30 HA PRO 30 -9.194 -3.695 -4.281
58 1HB PRO 30 2HB PRO 30 -11.899 -3.784 -5.620
59 2HB PRO 30 1HB PRO 30 -10.315 -4.363 -6.233
60 1HG PRO 30 1HG PRO 30 -12.038 -6.124 -5.139
61 2HG PRO 30 2HG PRO 30 -10.303 -6.190 -4.682
62 1HD PRO 30 1HD PRO 30 -12.612 -4.994 -3.150
63 2HD PRO 30 2HD PRO 30 -11.237 -5.974 -2.556
64 H GLY 31 H GLY 31 -12.150 -1.846 -3.580
65 1HA GLY 31 2HA GLY 31 -12.825 0.298 -4.057
66 2HA GLY 31 1HA GLY 31 -11.607 0.368 -5.329
67 H HIS 32 H HIS 32 -9.319 -0.056 -3.551
68 HA HIS 32 HA HIS 32 -9.342 2.393 -1.860
69 1HB HIS 32 1HB HIS 32 -7.946 -0.242 -1.669
70 2HB HIS 32 2HB HIS 32 -7.078 1.176 -1.099
71 HD1 HIS 32 HD1 HIS 32 -10.491 -0.535 -0.473
72 HD2 HIS 32 HD2 HIS 32 -7.625 1.960 1.294
73 HE1 HIS 32 HE1 HIS 32 -11.264 -0.153 1.948
74 H LEU 33 H LEU 33 -7.486 3.610 -1.671
75 HA LEU 33 HA LEU 33 -5.615 4.044 -3.873
76 1HB LEU 33 1HB LEU 33 -7.887 5.969 -3.142
77 2HB LEU 33 2HB LEU 33 -6.481 6.448 -4.079
78 HG LEU 33 HG LEU 33 -8.559 4.420 -4.990
79 1HD1 LEU 33 3HD1 LEU 33 -9.420 6.716 -4.875
80 2HD1 LEU 33 1HD1 LEU 33 -8.043 7.294 -5.839
81 3HD1 LEU 33 2HD1 LEU 33 -9.233 6.181 -6.553
82 1HD2 LEU 33 1HD2 LEU 33 -6.196 5.683 -6.461
83 2HD2 LEU 33 2HD2 LEU 33 -6.343 3.970 -6.009
84 3HD2 LEU 33 3HD2 LEU 33 -7.451 4.662 -7.199
85 H SER 34 H SER 34 -4.303 6.072 -3.260
86 HA SER 34 HA SER 34 -3.373 6.165 -0.558
87 1HB SER 34 1HB SER 34 -2.285 8.284 -1.338
88 2HB SER 34 2HB SER 34 -1.989 6.886 -2.391
89 HG SER 34 HG SER 34 -2.568 8.784 -3.577
90 H SER 35 H SER 35 -6.171 7.649 -2.011
91 HA SER 35 HA SER 35 -6.607 9.558 0.199
92 1HB SER 35 1HB SER 35 -8.608 10.165 -1.144
93 2HB SER 35 2HB SER 35 -7.092 10.294 -2.051
94 HG SER 35 HG SER 35 -8.762 9.222 -3.238
95 H GLN 36 H GLN 36 -7.196 6.259 -0.225
96 HA GLN 36 HA GLN 36 -9.771 6.274 1.292
97 1HB GLN 36 1HB GLN 36 -9.392 5.064 -1.004
98 2HB GLN 36 2HB GLN 36 -8.494 3.890 -0.050
99 1HG GLN 36 1HG GLN 36 -10.631 2.953 -0.118
100 2HG GLN 36 2HG GLN 36 -10.679 3.782 1.429
101 1HE2 GLN 36 2HE2 GLN 36 -11.984 3.627 -1.854
102 2HE2 GLN 36 1HE2 GLN 36 -13.166 4.910 -1.618
103 H CYS 37 H CYS 37 -6.497 4.853 1.285
104 HA CYS 37 HA CYS 37 -6.421 4.882 4.210
105 1HB CYS 37 1HB CYS 37 -6.035 2.353 2.562
106 2HB CYS 37 2HB CYS 37 -5.145 2.585 4.042
107 H ARG 38 H ARG 38 -4.071 4.320 4.897
108 HA ARG 38 HA ARG 38 -2.265 6.230 3.895
109 1HB ARG 38 1HB ARG 38 -1.696 3.650 5.433
110 2HB ARG 38 2HB ARG 38 -0.506 4.889 5.077
111 1HG ARG 38 1HG ARG 38 -0.992 5.575 7.126
112 2HG ARG 38 2HG ARG 38 -2.208 6.528 6.295
113 1HD ARG 38 1HD ARG 38 -2.797 3.778 7.462
114 2HD ARG 38 2HD ARG 38 -2.786 5.212 8.474
115 HE ARG 38 HE ARG 38 -4.539 6.172 6.920
116 1HH1 ARG 38 1HH2 ARG 38 -4.427 2.694 7.551
117 2HH1 ARG 38 2HH2 ARG 38 -6.137 2.540 7.234
118 1HH2 ARG 38 2HH1 ARG 38 -6.715 5.846 6.637
119 2HH2 ARG 38 1HH1 ARG 38 -7.345 4.226 6.645
120 H ALA 39 H ALA 39 -2.576 2.848 2.848
121 HA ALA 39 HA ALA 39 -1.379 3.537 0.302
122 1HB ALA 39 1HB ALA 39 0.675 3.066 1.622
123 2HB ALA 39 2HB ALA 39 -0.005 1.493 2.112
124 3HB ALA 39 3HB ALA 39 0.415 1.791 0.419
125 HA PRO 40 HA PRO 40 -3.670 -0.318 -0.795
126 1HB PRO 40 2HB PRO 40 -2.599 -0.882 -3.225
127 2HB PRO 40 1HB PRO 40 -3.708 0.499 -2.980
128 1HG PRO 40 1HG PRO 40 -0.675 0.541 -3.053
129 2HG PRO 40 2HG PRO 40 -1.815 1.600 -3.941
130 1HD PRO 40 1HD PRO 40 -0.636 2.323 -1.570
131 2HD PRO 40 2HD PRO 40 -2.280 2.864 -2.019
132 H LYS 41 H LYS 41 -2.949 -2.580 -1.423
133 HA LYS 41 HA LYS 41 -1.234 -3.722 0.446
134 1HB LYS 41 1HB LYS 41 -3.170 -4.699 -0.913
135 2HB LYS 41 2HB LYS 41 -2.006 -4.984 -2.209
136 1HG LYS 41 1HG LYS 41 -0.735 -6.513 -0.743
137 2HG LYS 41 2HG LYS 41 -1.740 -6.057 0.640
138 1HD LYS 41 1HD LYS 41 -2.430 -8.221 -0.162
139 2HD LYS 41 2HD LYS 41 -3.724 -7.056 -0.474
140 1HE LYS 41 1HE LYS 41 -3.022 -6.888 -2.845
141 2HE LYS 41 2HE LYS 41 -1.657 -7.968 -2.532
142 1HZ LYS 41 3HZ LYS 41 -4.518 -8.740 -2.271
143 2HZ LYS 41 1HZ LYS 41 -3.533 -9.168 -3.500
144 3HZ LYS 41 2HZ LYS 41 -3.247 -9.730 -1.998
145 H VAL 42 H VAL 42 -0.154 -2.215 -2.366
146 HA VAL 42 HA VAL 42 2.380 -3.415 -2.892
147 HB VAL 42 HB VAL 42 1.549 -0.482 -2.940
148 1HG1 VAL 42 3HG1 VAL 42 3.811 -1.915 -4.375
149 2HG1 VAL 42 1HG1 VAL 42 3.307 -0.237 -4.678
150 3HG1 VAL 42 2HG1 VAL 42 3.983 -0.675 -3.110
151 1HG2 VAL 42 3HG2 VAL 42 1.457 -2.592 -5.142
152 2HG2 VAL 42 1HG2 VAL 42 0.051 -1.818 -4.379
153 3HG2 VAL 42 2HG2 VAL 42 1.148 -0.857 -5.367
154 H CYS 43 H CYS 43 1.331 -1.246 -0.262
155 HA CYS 43 HA CYS 43 3.931 -1.493 1.140
156 1HB CYS 43 1HB CYS 43 4.009 0.374 -0.569
157 2HB CYS 43 2HB CYS 43 2.719 1.185 0.323
158 H PHE 44 H PHE 44 3.399 0.572 2.915
159 HA PHE 44 HA PHE 44 0.686 0.261 4.079
160 1HB PHE 44 1HB PHE 44 1.455 -0.103 6.287
161 2HB PHE 44 2HB PHE 44 2.257 -1.297 5.289
162 HD1 PHE 44 HD1 PHE 44 2.677 1.484 7.589
163 HD2 PHE 44 HD2 PHE 44 4.730 -0.914 4.648
164 HE1 PHE 44 HE1 PHE 44 4.861 2.242 8.493
165 HE2 PHE 44 HE2 PHE 44 6.911 -0.146 5.551
166 HZ PHE 44 HZ PHE 44 6.982 1.427 7.474
167 H LYS 45 H LYS 45 3.223 2.274 3.096
168 HA LYS 45 HA LYS 45 2.060 4.745 4.226
169 1HB LYS 45 1HB LYS 45 3.370 3.953 6.109
170 2HB LYS 45 2HB LYS 45 4.749 3.586 5.077
171 1HG LYS 45 1HG LYS 45 5.073 6.030 4.653
172 2HG LYS 45 2HG LYS 45 3.659 6.377 5.648
173 1HD LYS 45 1HD LYS 45 5.739 6.746 6.896
174 2HD LYS 45 2HD LYS 45 4.769 5.473 7.624
175 1HE LYS 45 1HE LYS 45 7.108 4.866 7.695
176 2HE LYS 45 2HE LYS 45 6.236 3.741 6.656
177 1HZ LYS 45 1HZ LYS 45 7.811 6.040 5.616
178 2HZ LYS 45 2HZ LYS 45 8.398 4.524 5.745
179 3HZ LYS 45 3HZ LYS 45 7.173 4.810 4.724
180 H CYS 46 H CYS 46 5.175 3.608 2.887
181 HA CYS 46 HA CYS 46 5.734 6.100 1.700
182 1HB CYS 46 1HB CYS 46 7.465 4.011 0.692
183 2HB CYS 46 2HB CYS 46 7.809 5.323 1.794
184 H LYS 47 H LYS 47 4.596 3.094 0.270
185 HA LYS 47 HA LYS 47 3.974 2.456 -1.842
186 1HB LYS 47 1HB LYS 47 1.969 3.682 -2.538
187 2HB LYS 47 2HB LYS 47 2.044 3.367 -0.811
188 1HG LYS 47 1HG LYS 47 2.771 5.693 -0.394
189 2HG LYS 47 2HG LYS 47 2.689 6.045 -2.123
190 1HD LYS 47 1HD LYS 47 0.304 5.766 -2.133
191 2HD LYS 47 2HD LYS 47 0.291 5.052 -0.511
192 1HE LYS 47 1HE LYS 47 1.287 7.881 -1.065
193 2HE LYS 47 2HE LYS 47 -0.402 7.524 -0.695
194 1HZ LYS 47 3HZ LYS 47 1.852 6.847 1.129
195 2HZ LYS 47 1HZ LYS 47 0.838 8.123 1.311
196 3HZ LYS 47 2HZ LYS 47 0.272 6.588 1.422
197 H GLN 48 H GLN 48 6.488 4.046 -2.137
198 HA GLN 48 HA GLN 48 6.305 5.417 -4.654
199 1HB GLN 48 1HB GLN 48 8.733 4.172 -3.297
200 2HB GLN 48 2HB GLN 48 8.788 5.290 -4.653
201 1HG GLN 48 1HG GLN 48 7.829 5.895 -1.829
202 2HG GLN 48 2HG GLN 48 9.290 6.475 -2.605
203 1HE2 GLN 48 2HE2 GLN 48 5.983 7.198 -2.011
204 2HE2 GLN 48 1HE2 GLN 48 5.876 8.570 -3.118
205 HA PRO 49 HA PRO 49 5.804 2.501 -7.708
206 1HB PRO 49 2HB PRO 49 8.298 3.491 -9.108
207 2HB PRO 49 1HB PRO 49 6.676 3.164 -9.799
208 1HG PRO 49 1HG PRO 49 7.376 5.691 -9.177
209 2HG PRO 49 2HG PRO 49 5.749 5.087 -8.721
210 1HD PRO 49 1HD PRO 49 8.201 5.390 -6.988
211 2HD PRO 49 2HD PRO 49 6.492 5.774 -6.636
212 H GLY 50 H GLY 50 9.037 2.097 -6.365
213 1HA GLY 50 2HA GLY 50 10.234 0.050 -7.635
214 2HA GLY 50 1HA GLY 50 8.871 -0.816 -6.932
215 H HIS 51 H HIS 51 9.463 1.397 -4.596
216 HA HIS 51 HA HIS 51 11.921 0.523 -3.413
217 1HB HIS 51 1HB HIS 51 11.350 1.922 -1.635
218 2HB HIS 51 2HB HIS 51 10.596 2.698 -3.015
219 HD1 HIS 51 HD1 HIS 51 7.711 1.785 -3.165
220 HD2 HIS 51 HD2 HIS 51 9.898 1.602 0.437
221 HE1 HIS 51 HE1 HIS 51 6.028 1.368 -1.313
222 H PHE 52 H PHE 52 8.669 -0.739 -3.201
223 HA PHE 52 HA PHE 52 8.644 -1.722 -0.607
224 1HB PHE 52 1HB PHE 52 6.712 -3.141 -1.483
225 2HB PHE 52 2HB PHE 52 6.605 -1.403 -1.645
226 HD1 PHE 52 HD1 PHE 52 6.539 -0.309 -3.805
227 HD2 PHE 52 HD2 PHE 52 7.080 -4.581 -3.526
228 HE1 PHE 52 HE1 PHE 52 6.104 -0.523 -6.229
229 HE2 PHE 52 HE2 PHE 52 6.666 -4.785 -5.963
230 HZ PHE 52 HZ PHE 52 6.182 -2.755 -7.323
231 H SER 53 H SER 53 9.543 -3.588 -3.543
232 HA SER 53 HA SER 53 9.920 -6.086 -2.275
233 1HB SER 53 1HB SER 53 11.360 -4.980 -4.715
234 2HB SER 53 2HB SER 53 11.202 -6.690 -4.271
235 HG SER 53 HG SER 53 9.629 -6.063 -5.810
236 H LYS 54 H LYS 54 11.746 -3.343 -1.634
237 HA LYS 54 HA LYS 54 14.028 -4.943 -0.553
238 1HB LYS 54 1HB LYS 54 14.221 -2.199 -1.878
239 2HB LYS 54 2HB LYS 54 15.530 -3.080 -1.104
240 1HG LYS 54 1HG LYS 54 16.032 -3.728 -3.191
241 2HG LYS 54 2HG LYS 54 14.868 -4.993 -2.848
242 1HD LYS 54 1HD LYS 54 14.358 -4.191 -5.019
243 2HD LYS 54 2HD LYS 54 13.101 -3.489 -3.992
244 1HE LYS 54 1HE LYS 54 14.362 -1.352 -3.896
245 2HE LYS 54 2HE LYS 54 15.658 -2.069 -4.864
246 1HZ LYS 54 1HZ LYS 54 14.035 -2.355 -6.677
247 2HZ LYS 54 2HZ LYS 54 12.860 -1.639 -5.779
248 3HZ LYS 54 3HZ LYS 54 14.168 -0.784 -6.259
249 H GLN 55 H GLN 55 11.410 -3.464 0.528
250 HA GLN 55 HA GLN 55 12.704 -2.767 3.069
251 1HB GLN 55 1HB GLN 55 12.814 -0.640 1.745
252 2HB GLN 55 2HB GLN 55 11.053 -0.651 1.619
253 1HG GLN 55 1HG GLN 55 10.929 -0.575 4.144
254 2HG GLN 55 2HG GLN 55 12.694 -0.501 4.195
255 1HE2 GLN 55 1HE2 GLN 55 9.736 1.258 3.369
256 2HE2 GLN 55 2HE2 GLN 55 10.509 2.834 3.231
257 H CYS 56 H CYS 56 9.523 -2.338 1.435
258 HA CYS 56 HA CYS 56 8.179 -2.827 3.994
259 1HB CYS 56 1HB CYS 56 7.166 -1.760 1.325
260 2HB CYS 56 2HB CYS 56 6.289 -1.748 2.861
261 H ARG 57 H ARG 57 8.679 -4.611 1.109
262 HA ARG 57 HA ARG 57 6.681 -6.688 1.860
263 1HB ARG 57 1HB ARG 57 6.102 -4.790 -0.065
264 2HB ARG 57 2HB ARG 57 6.914 -5.980 -1.052
265 1HG ARG 57 1HG ARG 57 4.869 -6.946 -1.207
266 2HG ARG 57 2HG ARG 57 5.176 -7.592 0.402
267 1HD ARG 57 1HD ARG 57 3.609 -5.106 -0.376
268 2HD ARG 57 2HD ARG 57 2.985 -6.574 0.388
269 HE ARG 57 HE ARG 57 4.971 -5.388 2.091
270 1HH1 ARG 57 1HH1 ARG 57 1.752 -4.589 0.995
271 2HH1 ARG 57 2HH1 ARG 57 1.530 -3.429 2.283
272 1HH2 ARG 57 1HH2 ARG 57 4.576 -4.074 3.731
273 2HH2 ARG 57 2HH2 ARG 57 2.991 -3.348 3.955
274 H SER 58 H SER 58 9.728 -6.322 1.725
275 HA SER 58 HA SER 58 11.084 -7.825 -0.127
276 1HB SER 58 1HB SER 58 11.624 -7.821 2.860
277 2HB SER 58 2HB SER 58 12.790 -8.137 1.562
278 HG SER 58 HG SER 58 12.854 -5.945 2.337
No H/Q in entry = 278
Start of MODEL 8
1 H1 GLN 22 H2 GLN 22 -7.108 0.613 -5.900
2 H2 GLN 22 H1 GLN 22 -7.137 -0.012 -7.427
3 H3 GLN 22 H3 GLN 22 -8.123 -0.618 -6.261
4 HA GLN 22 HA GLN 22 -6.350 -2.142 -6.604
5 1HB GLN 22 1HB GLN 22 -4.025 -1.472 -6.008
6 2HB GLN 22 2HB GLN 22 -4.634 -0.829 -7.527
7 1HG GLN 22 1HG GLN 22 -4.970 1.384 -6.545
8 2HG GLN 22 2HG GLN 22 -4.497 0.804 -4.951
9 1HE2 GLN 22 1HE2 GLN 22 -3.280 2.896 -6.877
10 2HE2 GLN 22 2HE2 GLN 22 -1.599 2.388 -6.960
11 H THR 23 H THR 23 -6.264 -3.552 -4.960
12 HA THR 23 HA THR 23 -7.739 -3.150 -2.721
13 HB THR 23 HB THR 23 -5.481 -5.170 -2.901
14 HG1 THR 23 HG1 THR 23 -6.971 -6.399 -4.056
15 1HG2 THR 23 3HG2 THR 23 -8.262 -5.328 -1.645
16 2HG2 THR 23 1HG2 THR 23 -7.093 -6.659 -1.746
17 3HG2 THR 23 2HG2 THR 23 -6.723 -5.251 -0.749
18 H CYS 24 H CYS 24 -7.586 -2.579 -0.665
19 HA CYS 24 HA CYS 24 -5.621 -0.917 0.392
20 1HB CYS 24 1HB CYS 24 -8.055 -1.328 1.068
21 2HB CYS 24 2HB CYS 24 -7.485 -2.741 1.955
22 H TYR 25 H TYR 25 -4.035 -1.125 1.988
23 HA TYR 25 HA TYR 25 -2.619 -3.636 2.373
24 1HB TYR 25 1HB TYR 25 -1.096 -2.450 3.583
25 2HB TYR 25 2HB TYR 25 -1.669 -1.221 2.477
26 HD1 TYR 25 HD1 TYR 25 -0.609 -1.675 5.700
27 HD2 TYR 25 HD2 TYR 25 -3.998 0.010 3.622
28 HE1 TYR 25 HE1 TYR 25 -1.096 -0.221 7.658
29 HE2 TYR 25 HE2 TYR 25 -4.505 1.407 5.591
30 HH TYR 25 HH TYR 25 -2.507 1.347 8.560
31 H ASN 26 H ASN 26 -5.445 -2.385 3.808
32 HA ASN 26 HA ASN 26 -5.194 -4.157 6.228
33 1HB ASN 26 1HB ASN 26 -4.692 -1.858 6.823
34 2HB ASN 26 2HB ASN 26 -6.098 -1.254 5.951
35 1HD2 ASN 26 1HD2 ASN 26 -8.194 -1.400 6.933
36 2HD2 ASN 26 2HD2 ASN 26 -8.345 -1.876 8.617
37 H CYS 27 H CYS 27 -7.545 -2.345 4.192
38 HA CYS 27 HA CYS 27 -9.789 -3.531 5.498
39 1HB CYS 27 1HB CYS 27 -9.639 -1.833 2.977
40 2HB CYS 27 2HB CYS 27 -11.060 -2.085 3.997
41 H GLY 28 H GLY 28 -7.937 -4.853 2.974
42 1HA GLY 28 2HA GLY 28 -9.558 -7.106 2.491
43 2HA GLY 28 1HA GLY 28 -8.244 -6.549 1.449
44 H LYS 29 H LYS 29 -9.480 -4.033 0.745
45 HA LYS 29 HA LYS 29 -11.953 -4.791 -0.763
46 1HB LYS 29 1HB LYS 29 -12.332 -3.493 1.292
47 2HB LYS 29 2HB LYS 29 -11.237 -2.255 0.732
48 1HG LYS 29 1HG LYS 29 -13.493 -1.495 0.401
49 2HG LYS 29 2HG LYS 29 -12.758 -1.741 -1.171
50 1HD LYS 29 1HD LYS 29 -15.087 -2.528 -1.138
51 2HD LYS 29 2HD LYS 29 -13.977 -3.844 -1.475
52 1HE LYS 29 1HE LYS 29 -15.672 -4.653 0.018
53 2HE LYS 29 2HE LYS 29 -14.147 -4.607 0.896
54 1HZ LYS 29 2HZ LYS 29 -16.297 -2.557 1.092
55 2HZ LYS 29 3HZ LYS 29 -15.986 -3.700 2.209
56 3HZ LYS 29 1HZ LYS 29 -14.897 -2.519 1.937
57 HA PRO 30 HA PRO 30 -9.225 -3.752 -4.242
58 1HB PRO 30 2HB PRO 30 -11.911 -3.832 -5.625
59 2HB PRO 30 1HB PRO 30 -10.330 -4.458 -6.193
60 1HG PRO 30 1HG PRO 30 -12.117 -6.151 -5.090
61 2HG PRO 30 2HG PRO 30 -10.391 -6.250 -4.605
62 1HD PRO 30 1HD PRO 30 -12.691 -4.960 -3.136
63 2HD PRO 30 2HD PRO 30 -11.353 -5.965 -2.500
64 H GLY 31 H GLY 31 -12.163 -1.861 -3.592
65 1HA GLY 31 2HA GLY 31 -12.822 0.277 -4.108
66 2HA GLY 31 1HA GLY 31 -11.611 0.309 -5.387
67 H HIS 32 H HIS 32 -9.275 -0.012 -3.780
68 HA HIS 32 HA HIS 32 -9.262 2.425 -2.059
69 1HB HIS 32 1HB HIS 32 -7.960 -0.255 -1.815
70 2HB HIS 32 2HB HIS 32 -7.048 1.141 -1.254
71 HD1 HIS 32 HD1 HIS 32 -10.499 -0.482 -0.610
72 HD2 HIS 32 HD2 HIS 32 -7.602 2.013 1.105
73 HE1 HIS 32 HE1 HIS 32 -11.284 -0.013 1.791
74 H LEU 33 H LEU 33 -7.403 3.609 -1.878
75 HA LEU 33 HA LEU 33 -5.461 3.943 -4.031
76 1HB LEU 33 1HB LEU 33 -7.734 5.920 -3.463
77 2HB LEU 33 2HB LEU 33 -6.291 6.345 -4.368
78 HG LEU 33 HG LEU 33 -8.369 4.314 -5.269
79 1HD1 LEU 33 1HD1 LEU 33 -9.182 6.631 -5.286
80 2HD1 LEU 33 2HD1 LEU 33 -7.758 7.136 -6.222
81 3HD1 LEU 33 3HD1 LEU 33 -8.947 6.018 -6.930
82 1HD2 LEU 33 1HD2 LEU 33 -5.923 5.463 -6.701
83 2HD2 LEU 33 2HD2 LEU 33 -6.129 3.774 -6.182
84 3HD2 LEU 33 3HD2 LEU 33 -7.172 4.437 -7.442
85 H SER 34 H SER 34 -4.105 5.930 -3.454
86 HA SER 34 HA SER 34 -3.208 6.166 -0.804
87 1HB SER 34 1HB SER 34 -3.197 8.260 -3.015
88 2HB SER 34 2HB SER 34 -2.134 8.240 -1.598
89 HG SER 34 HG SER 34 -1.228 7.313 -3.575
90 H SER 35 H SER 35 -6.096 7.566 -2.161
91 HA SER 35 HA SER 35 -6.460 9.532 0.023
92 1HB SER 35 1HB SER 35 -8.438 10.189 -1.349
93 2HB SER 35 2HB SER 35 -6.902 10.294 -2.223
94 HG SER 35 HG SER 35 -8.561 9.257 -3.453
95 H GLN 36 H GLN 36 -7.160 6.252 -0.424
96 HA GLN 36 HA GLN 36 -9.764 6.351 1.032
97 1HB GLN 36 1HB GLN 36 -9.362 5.092 -1.215
98 2HB GLN 36 2HB GLN 36 -8.469 3.933 -0.239
99 1HG GLN 36 1HG GLN 36 -10.612 2.998 -0.338
100 2HG GLN 36 2HG GLN 36 -10.660 3.810 1.217
101 1HE2 GLN 36 2HE2 GLN 36 -12.020 3.623 -2.011
102 2HE2 GLN 36 1HE2 GLN 36 -13.181 4.932 -1.791
103 H CYS 37 H CYS 37 -6.508 4.903 1.190
104 HA CYS 37 HA CYS 37 -6.562 4.992 4.110
105 1HB CYS 37 1HB CYS 37 -6.180 2.414 2.548
106 2HB CYS 37 2HB CYS 37 -5.299 2.661 4.029
107 H ARG 38 H ARG 38 -4.265 4.405 4.924
108 HA ARG 38 HA ARG 38 -2.370 6.254 3.965
109 1HB ARG 38 1HB ARG 38 -1.983 3.730 5.643
110 2HB ARG 38 2HB ARG 38 -0.705 4.871 5.272
111 1HG ARG 38 1HG ARG 38 -1.224 5.766 7.220
112 2HG ARG 38 2HG ARG 38 -2.412 6.668 6.299
113 1HD ARG 38 1HD ARG 38 -3.031 4.036 7.714
114 2HD ARG 38 2HD ARG 38 -3.073 5.577 8.549
115 HE ARG 38 HE ARG 38 -4.811 6.347 6.952
116 1HH1 ARG 38 2HH1 ARG 38 -4.574 2.868 7.536
117 2HH1 ARG 38 1HH1 ARG 38 -6.255 2.643 7.117
118 1HH2 ARG 38 2HH2 ARG 38 -6.947 5.922 6.520
119 2HH2 ARG 38 1HH2 ARG 38 -7.477 4.268 6.417
120 H ALA 39 H ALA 39 -2.710 2.854 2.970
121 HA ALA 39 HA ALA 39 -1.381 3.502 0.484
122 1HB ALA 39 3HB ALA 39 0.605 3.000 1.899
123 2HB ALA 39 1HB ALA 39 -0.126 1.441 2.360
124 3HB ALA 39 2HB ALA 39 0.383 1.726 0.692
125 HA PRO 40 HA PRO 40 -3.627 -0.323 -0.750
126 1HB PRO 40 2HB PRO 40 -2.429 -0.888 -3.113
127 2HB PRO 40 1HB PRO 40 -3.521 0.517 -2.916
128 1HG PRO 40 1HG PRO 40 -0.484 0.501 -2.803
129 2HG PRO 40 2HG PRO 40 -1.543 1.583 -3.762
130 1HD PRO 40 1HD PRO 40 -0.522 2.286 -1.324
131 2HD PRO 40 2HD PRO 40 -2.125 2.845 -1.878
132 H LYS 41 H LYS 41 -2.949 -2.594 -1.253
133 HA LYS 41 HA LYS 41 -1.341 -3.712 0.715
134 1HB LYS 41 1HB LYS 41 -3.212 -4.728 -0.674
135 2HB LYS 41 2HB LYS 41 -2.026 -5.021 -1.946
136 1HG LYS 41 1HG LYS 41 -0.752 -6.501 -0.433
137 2HG LYS 41 2HG LYS 41 -1.844 -6.097 0.909
138 1HD LYS 41 1HD LYS 41 -3.737 -7.117 -0.325
139 2HD LYS 41 2HD LYS 41 -2.650 -7.500 -1.680
140 1HE LYS 41 1HE LYS 41 -1.258 -8.893 -0.154
141 2HE LYS 41 2HE LYS 41 -2.352 -8.523 1.183
142 1HZ LYS 41 2HZ LYS 41 -3.122 -9.976 -1.295
143 2HZ LYS 41 3HZ LYS 41 -2.888 -10.662 0.166
144 3HZ LYS 41 1HZ LYS 41 -4.136 -9.637 -0.056
145 H VAL 42 H VAL 42 -0.146 -2.485 -2.249
146 HA VAL 42 HA VAL 42 2.356 -3.753 -2.593
147 HB VAL 42 HB VAL 42 1.651 -0.802 -2.900
148 1HG1 VAL 42 3HG1 VAL 42 3.848 -2.459 -4.202
149 2HG1 VAL 42 1HG1 VAL 42 3.407 -0.801 -4.666
150 3HG1 VAL 42 2HG1 VAL 42 4.073 -1.109 -3.065
151 1HG2 VAL 42 1HG2 VAL 42 1.439 -3.095 -4.902
152 2HG2 VAL 42 2HG2 VAL 42 0.083 -2.174 -4.212
153 3HG2 VAL 42 3HG2 VAL 42 1.223 -1.373 -5.285
154 H CYS 43 H CYS 43 1.340 -1.456 -0.104
155 HA CYS 43 HA CYS 43 3.938 -1.613 1.310
156 1HB CYS 43 1HB CYS 43 3.962 0.204 -0.460
157 2HB CYS 43 2HB CYS 43 2.651 1.004 0.417
158 H PHE 44 H PHE 44 3.332 0.514 2.992
159 HA PHE 44 HA PHE 44 0.668 0.119 4.231
160 1HB PHE 44 1HB PHE 44 1.489 -0.139 6.421
161 2HB PHE 44 2HB PHE 44 2.383 -1.297 5.454
162 HD1 PHE 44 HD1 PHE 44 2.579 1.589 7.656
163 HD2 PHE 44 HD2 PHE 44 4.808 -0.715 4.768
164 HE1 PHE 44 HE1 PHE 44 4.689 2.616 8.462
165 HE2 PHE 44 HE2 PHE 44 6.914 0.320 5.575
166 HZ PHE 44 HZ PHE 44 6.860 1.991 7.417
167 H LYS 45 H LYS 45 3.322 2.238 3.395
168 HA LYS 45 HA LYS 45 1.716 4.615 4.067
169 1HB LYS 45 1HB LYS 45 2.855 4.023 6.203
170 2HB LYS 45 2HB LYS 45 4.423 4.141 5.402
171 1HG LYS 45 1HG LYS 45 4.006 6.555 4.961
172 2HG LYS 45 2HG LYS 45 2.401 6.411 5.707
173 1HD LYS 45 1HD LYS 45 3.472 5.750 7.857
174 2HD LYS 45 2HD LYS 45 5.074 5.909 7.100
175 1HE LYS 45 1HE LYS 45 4.611 8.307 6.635
176 2HE LYS 45 2HE LYS 45 3.016 8.148 7.382
177 1HZ LYS 45 2HZ LYS 45 4.130 7.595 9.482
178 2HZ LYS 45 3HZ LYS 45 5.604 7.749 8.791
179 3HZ LYS 45 1HZ LYS 45 4.634 9.052 8.948
180 H CYS 46 H CYS 46 5.127 3.748 3.185
181 HA CYS 46 HA CYS 46 5.513 6.219 1.834
182 1HB CYS 46 1HB CYS 46 7.706 4.933 1.146
183 2HB CYS 46 2HB CYS 46 7.415 5.489 2.790
184 H LYS 47 H LYS 47 4.680 3.051 0.561
185 HA LYS 47 HA LYS 47 4.113 2.299 -1.530
186 1HB LYS 47 1HB LYS 47 2.016 3.299 -2.191
187 2HB LYS 47 2HB LYS 47 2.168 3.182 -0.444
188 1HG LYS 47 1HG LYS 47 2.764 5.601 -0.334
189 2HG LYS 47 2HG LYS 47 2.546 5.731 -2.082
190 1HD LYS 47 1HD LYS 47 0.203 5.223 -1.901
191 2HD LYS 47 2HD LYS 47 0.354 4.741 -0.205
192 1HE LYS 47 1HE LYS 47 1.023 7.548 -1.161
193 2HE LYS 47 2HE LYS 47 -0.611 7.074 -0.684
194 1HZ LYS 47 2HZ LYS 47 1.735 6.804 1.126
195 2HZ LYS 47 3HZ LYS 47 0.662 8.048 1.178
196 3HZ LYS 47 1HZ LYS 47 0.183 6.511 1.499
197 H GLN 48 H GLN 48 6.517 4.012 -1.975
198 HA GLN 48 HA GLN 48 6.163 5.344 -4.486
199 1HB GLN 48 1HB GLN 48 8.685 4.170 -3.248
200 2HB GLN 48 2HB GLN 48 8.654 5.277 -4.614
201 1HG GLN 48 1HG GLN 48 7.805 5.883 -1.755
202 2HG GLN 48 2HG GLN 48 9.215 6.493 -2.601
203 1HE2 GLN 48 2HE2 GLN 48 5.908 7.117 -1.880
204 2HE2 GLN 48 1HE2 GLN 48 5.716 8.484 -2.986
205 HA PRO 49 HA PRO 49 5.637 2.444 -7.558
206 1HB PRO 49 2HB PRO 49 8.066 3.498 -9.022
207 2HB PRO 49 1HB PRO 49 6.433 3.137 -9.669
208 1HG PRO 49 1HG PRO 49 7.094 5.677 -9.054
209 2HG PRO 49 2HG PRO 49 5.495 5.032 -8.553
210 1HD PRO 49 1HD PRO 49 7.990 5.382 -6.892
211 2HD PRO 49 2HD PRO 49 6.285 5.727 -6.484
212 H GLY 50 H GLY 50 8.936 2.141 -6.344
213 1HA GLY 50 2HA GLY 50 10.183 0.151 -7.597
214 2HA GLY 50 1HA GLY 50 8.845 -0.782 -6.932
215 H HIS 51 H HIS 51 9.469 1.506 -4.601
216 HA HIS 51 HA HIS 51 11.891 0.657 -3.399
217 1HB HIS 51 1HB HIS 51 11.271 2.004 -1.594
218 2HB HIS 51 2HB HIS 51 10.482 2.773 -2.960
219 HD1 HIS 51 HD1 HIS 51 7.643 1.727 -3.130
220 HD2 HIS 51 HD2 HIS 51 9.844 1.490 0.458
221 HE1 HIS 51 HE1 HIS 51 5.999 1.077 -1.313
222 H PHE 52 H PHE 52 8.679 -0.755 -3.191
223 HA PHE 52 HA PHE 52 8.824 -1.915 -0.652
224 1HB PHE 52 1HB PHE 52 6.933 -3.341 -1.433
225 2HB PHE 52 2HB PHE 52 6.726 -1.622 -1.677
226 HD1 PHE 52 HD1 PHE 52 7.169 -4.876 -3.372
227 HD2 PHE 52 HD2 PHE 52 6.666 -0.624 -3.931
228 HE1 PHE 52 HE1 PHE 52 6.651 -5.246 -5.768
229 HE2 PHE 52 HE2 PHE 52 6.142 -1.006 -6.320
230 HZ PHE 52 HZ PHE 52 6.141 -3.311 -7.249
231 H SER 53 H SER 53 9.767 -3.399 -3.775
232 HA SER 53 HA SER 53 10.437 -5.967 -2.880
233 1HB SER 53 1HB SER 53 11.778 -4.336 -5.067
234 2HB SER 53 2HB SER 53 11.818 -6.104 -4.901
235 HG SER 53 HG SER 53 10.200 -5.415 -6.377
236 H LYS 54 H LYS 54 12.012 -3.142 -1.861
237 HA LYS 54 HA LYS 54 14.247 -4.730 -0.717
238 1HB LYS 54 1HB LYS 54 15.860 -2.977 -1.235
239 2HB LYS 54 2HB LYS 54 15.140 -3.637 -2.699
240 1HG LYS 54 1HG LYS 54 13.693 -1.660 -2.943
241 2HG LYS 54 2HG LYS 54 14.247 -1.027 -1.387
242 1HD LYS 54 1HD LYS 54 15.363 0.166 -3.148
243 2HD LYS 54 2HD LYS 54 16.553 -0.827 -2.293
244 1HE LYS 54 1HE LYS 54 16.398 -2.544 -4.104
245 2HE LYS 54 2HE LYS 54 15.206 -1.544 -4.942
246 1HZ LYS 54 3HZ LYS 54 16.917 0.187 -5.155
247 2HZ LYS 54 1HZ LYS 54 18.015 -0.745 -4.382
248 3HZ LYS 54 2HZ LYS 54 17.438 -1.201 -5.837
249 H GLN 55 H GLN 55 11.615 -3.404 0.276
250 HA GLN 55 HA GLN 55 12.804 -2.633 2.846
251 1HB GLN 55 1HB GLN 55 12.686 -0.484 1.495
252 2HB GLN 55 2HB GLN 55 10.930 -0.662 1.475
253 1HG GLN 55 1HG GLN 55 11.025 -0.707 4.040
254 2HG GLN 55 2HG GLN 55 12.743 -0.323 3.912
255 1HE2 GLN 55 1HE2 GLN 55 9.455 0.865 3.474
256 2HE2 GLN 55 2HE2 GLN 55 9.885 2.560 3.292
257 H CYS 56 H CYS 56 9.637 -2.598 1.132
258 HA CYS 56 HA CYS 56 8.280 -3.383 3.643
259 1HB CYS 56 1HB CYS 56 7.208 -2.156 1.069
260 2HB CYS 56 2HB CYS 56 6.301 -2.423 2.560
261 H ARG 57 H ARG 57 9.305 -4.939 0.885
262 HA ARG 57 HA ARG 57 7.631 -7.318 1.334
263 1HB ARG 57 1HB ARG 57 6.698 -5.531 -0.463
264 2HB ARG 57 2HB ARG 57 7.905 -6.255 -1.501
265 1HG ARG 57 1HG ARG 57 5.636 -7.203 -1.790
266 2HG ARG 57 2HG ARG 57 6.798 -8.441 -1.325
267 1HD ARG 57 1HD ARG 57 4.556 -8.611 -0.177
268 2HD ARG 57 2HD ARG 57 5.932 -8.567 0.904
269 HE ARG 57 HE ARG 57 5.388 -6.373 1.618
270 1HH1 ARG 57 2HH1 ARG 57 3.026 -7.373 -0.802
271 2HH1 ARG 57 1HH1 ARG 57 1.979 -6.022 -0.380
272 1HH2 ARG 57 1HH2 ARG 57 3.962 -4.755 2.049
273 2HH2 ARG 57 2HH2 ARG 57 2.472 -4.644 1.123
274 H SER 58 H SER 58 10.520 -6.489 1.548
275 HA SER 58 HA SER 58 12.280 -7.552 -0.299
276 1HB SER 58 1HB SER 58 12.545 -7.707 2.721
277 2HB SER 58 2HB SER 58 13.863 -7.757 1.535
278 HG SER 58 HG SER 58 13.521 -5.637 2.428
No H/Q in entry = 278
Start of MODEL 9
1 H1 GLN 22 H2 GLN 22 -8.076 -0.576 -6.236
2 H2 GLN 22 H1 GLN 22 -7.141 0.674 -5.749
3 H3 GLN 22 H3 GLN 22 -7.049 0.134 -7.304
4 HA GLN 22 HA GLN 22 -6.150 -1.985 -6.573
5 1HB GLN 22 1HB GLN 22 -4.651 0.444 -5.488
6 2HB GLN 22 2HB GLN 22 -3.981 -1.190 -5.577
7 1HG GLN 22 1HG GLN 22 -4.335 -1.189 -8.048
8 2HG GLN 22 2HG GLN 22 -4.853 0.500 -7.962
9 1HE2 GLN 22 2HE2 GLN 22 -2.461 -0.705 -9.353
10 2HE2 GLN 22 1HE2 GLN 22 -1.095 0.161 -8.659
11 H THR 23 H THR 23 -6.280 -3.523 -4.992
12 HA THR 23 HA THR 23 -7.793 -3.234 -2.725
13 HB THR 23 HB THR 23 -5.516 -5.223 -3.008
14 HG1 THR 23 HG1 THR 23 -7.020 -6.434 -4.168
15 1HG2 THR 23 3HG2 THR 23 -8.268 -5.446 -1.696
16 2HG2 THR 23 1HG2 THR 23 -7.087 -6.761 -1.860
17 3HG2 THR 23 2HG2 THR 23 -6.710 -5.375 -0.834
18 H CYS 24 H CYS 24 -7.605 -2.691 -0.651
19 HA CYS 24 HA CYS 24 -5.626 -1.017 0.349
20 1HB CYS 24 1HB CYS 24 -8.026 -1.443 1.105
21 2HB CYS 24 2HB CYS 24 -7.421 -2.860 1.967
22 H TYR 25 H TYR 25 -3.981 -1.205 1.884
23 HA TYR 25 HA TYR 25 -2.491 -3.677 2.196
24 1HB TYR 25 1HB TYR 25 -0.981 -2.468 3.414
25 2HB TYR 25 2HB TYR 25 -1.595 -1.253 2.315
26 HD1 TYR 25 HD1 TYR 25 -0.481 -1.666 5.524
27 HD2 TYR 25 HD2 TYR 25 -3.948 -0.093 3.493
28 HE1 TYR 25 HE1 TYR 25 -0.974 -0.209 7.478
29 HE2 TYR 25 HE2 TYR 25 -4.482 1.272 5.474
30 HH TYR 25 HH TYR 25 -2.422 1.334 8.391
31 H ASN 26 H ASN 26 -5.302 -2.504 3.742
32 HA ASN 26 HA ASN 26 -4.951 -4.312 6.120
33 1HB ASN 26 1HB ASN 26 -4.430 -2.019 6.731
34 2HB ASN 26 2HB ASN 26 -5.874 -1.408 5.931
35 1HD2 ASN 26 2HD2 ASN 26 -7.922 -1.569 6.999
36 2HD2 ASN 26 1HD2 ASN 26 -8.000 -2.078 8.680
37 H CYS 27 H CYS 27 -7.378 -2.472 4.206
38 HA CYS 27 HA CYS 27 -9.574 -3.689 5.571
39 1HB CYS 27 1HB CYS 27 -9.522 -1.919 3.098
40 2HB CYS 27 2HB CYS 27 -10.899 -2.196 4.173
41 H GLY 28 H GLY 28 -7.816 -4.950 2.959
42 1HA GLY 28 2HA GLY 28 -9.465 -7.182 2.483
43 2HA GLY 28 1HA GLY 28 -8.173 -6.620 1.418
44 H LYS 29 H LYS 29 -9.417 -4.085 0.779
45 HA LYS 29 HA LYS 29 -11.920 -4.822 -0.691
46 1HB LYS 29 1HB LYS 29 -12.270 -3.546 1.376
47 2HB LYS 29 2HB LYS 29 -11.164 -2.314 0.830
48 1HG LYS 29 1HG LYS 29 -13.395 -1.501 0.522
49 2HG LYS 29 2HG LYS 29 -12.699 -1.765 -1.068
50 1HD LYS 29 1HD LYS 29 -15.016 -2.487 -1.030
51 2HD LYS 29 2HD LYS 29 -13.981 -3.897 -1.275
52 1HE LYS 29 1HE LYS 29 -14.192 -4.483 1.129
53 2HE LYS 29 2HE LYS 29 -15.151 -3.025 1.410
54 1HZ LYS 29 1HZ LYS 29 -16.849 -3.932 -0.083
55 2HZ LYS 29 2HZ LYS 29 -15.961 -5.280 -0.353
56 3HZ LYS 29 3HZ LYS 29 -16.563 -4.980 1.133
57 HA PRO 30 HA PRO 30 -9.267 -3.766 -4.226
58 1HB PRO 30 2HB PRO 30 -11.984 -3.804 -5.542
59 2HB PRO 30 1HB PRO 30 -10.424 -4.441 -6.154
60 1HG PRO 30 1HG PRO 30 -12.199 -6.126 -5.025
61 2HG PRO 30 2HG PRO 30 -10.463 -6.246 -4.582
62 1HD PRO 30 1HD PRO 30 -12.717 -4.948 -3.046
63 2HD PRO 30 2HD PRO 30 -11.374 -5.973 -2.453
64 H GLY 31 H GLY 31 -12.184 -1.861 -3.517
65 1HA GLY 31 2HA GLY 31 -12.842 0.281 -4.028
66 2HA GLY 31 1HA GLY 31 -11.626 0.320 -5.302
67 H HIS 32 H HIS 32 -9.340 -0.105 -3.512
68 HA HIS 32 HA HIS 32 -9.339 2.370 -1.862
69 1HB HIS 32 1HB HIS 32 -7.961 -0.269 -1.638
70 2HB HIS 32 2HB HIS 32 -7.075 1.152 -1.099
71 HD1 HIS 32 HD1 HIS 32 -10.504 -0.513 -0.416
72 HD2 HIS 32 HD2 HIS 32 -7.592 1.973 1.279
73 HE1 HIS 32 HE1 HIS 32 -11.240 -0.095 2.011
74 H LEU 33 H LEU 33 -7.476 3.596 -1.713
75 HA LEU 33 HA LEU 33 -5.680 4.021 -3.984
76 1HB LEU 33 1HB LEU 33 -7.951 5.929 -3.204
77 2HB LEU 33 2HB LEU 33 -6.591 6.403 -4.208
78 HG LEU 33 HG LEU 33 -8.672 4.324 -4.990
79 1HD1 LEU 33 3HD1 LEU 33 -9.573 6.606 -4.882
80 2HD1 LEU 33 1HD1 LEU 33 -8.248 7.191 -5.912
81 3HD1 LEU 33 2HD1 LEU 33 -9.443 6.041 -6.555
82 1HD2 LEU 33 3HD2 LEU 33 -6.400 5.604 -6.586
83 2HD2 LEU 33 1HD2 LEU 33 -6.489 3.898 -6.092
84 3HD2 LEU 33 2HD2 LEU 33 -7.662 4.540 -7.247
85 H SER 34 H SER 34 -4.327 6.002 -3.470
86 HA SER 34 HA SER 34 -3.201 6.169 -0.912
87 1HB SER 34 1HB SER 34 -3.377 8.297 -3.083
88 2HB SER 34 2HB SER 34 -2.206 8.279 -1.754
89 HG SER 34 HG SER 34 -1.450 7.360 -3.795
90 H SER 35 H SER 35 -6.239 7.517 -1.847
91 HA SER 35 HA SER 35 -6.349 9.366 0.490
92 1HB SER 35 1HB SER 35 -8.325 10.292 -0.702
93 2HB SER 35 2HB SER 35 -6.828 10.394 -1.646
94 HG SER 35 HG SER 35 -8.612 9.603 -2.888
95 H GLN 36 H GLN 36 -7.287 6.210 -0.337
96 HA GLN 36 HA GLN 36 -9.795 6.235 1.263
97 1HB GLN 36 1HB GLN 36 -9.422 5.024 -1.033
98 2HB GLN 36 2HB GLN 36 -8.520 3.849 -0.085
99 1HG GLN 36 1HG GLN 36 -10.663 2.913 -0.155
100 2HG GLN 36 2HG GLN 36 -10.704 3.731 1.398
101 1HE2 GLN 36 2HE2 GLN 36 -12.020 3.603 -1.879
102 2HE2 GLN 36 1HE2 GLN 36 -13.199 4.885 -1.630
103 H CYS 37 H CYS 37 -6.507 4.886 1.267
104 HA CYS 37 HA CYS 37 -6.448 4.885 4.184
105 1HB CYS 37 1HB CYS 37 -6.044 2.372 2.531
106 2HB CYS 37 2HB CYS 37 -5.058 2.621 3.937
107 H ARG 38 H ARG 38 -4.076 4.363 4.866
108 HA ARG 38 HA ARG 38 -2.287 6.297 3.825
109 1HB ARG 38 1HB ARG 38 -1.742 3.773 5.456
110 2HB ARG 38 2HB ARG 38 -0.521 4.957 5.026
111 1HG ARG 38 1HG ARG 38 -0.945 5.777 7.027
112 2HG ARG 38 2HG ARG 38 -2.179 6.695 6.186
113 1HD ARG 38 1HD ARG 38 -2.781 4.014 7.508
114 2HD ARG 38 2HD ARG 38 -2.667 5.481 8.459
115 HE ARG 38 HE ARG 38 -4.497 6.471 7.173
116 1HH1 ARG 38 2HH1 ARG 38 -4.376 2.937 7.181
117 2HH1 ARG 38 1HH1 ARG 38 -6.029 2.848 6.603
118 1HH2 ARG 38 1HH2 ARG 38 -6.655 6.190 6.747
119 2HH2 ARG 38 2HH2 ARG 38 -7.276 4.585 6.474
120 H ALA 39 H ALA 39 -2.610 2.888 2.838
121 HA ALA 39 HA ALA 39 -1.422 3.552 0.281
122 1HB ALA 39 3HB ALA 39 0.638 3.097 1.606
123 2HB ALA 39 1HB ALA 39 -0.038 1.522 2.099
124 3HB ALA 39 2HB ALA 39 0.383 1.817 0.408
125 HA PRO 40 HA PRO 40 -3.679 -0.319 -0.803
126 1HB PRO 40 2HB PRO 40 -2.609 -0.885 -3.232
127 2HB PRO 40 1HB PRO 40 -3.711 0.501 -2.986
128 1HG PRO 40 1HG PRO 40 -0.676 0.530 -3.050
129 2HG PRO 40 2HG PRO 40 -1.808 1.594 -3.944
130 1HD PRO 40 1HD PRO 40 -0.639 2.316 -1.575
131 2HD PRO 40 2HD PRO 40 -2.281 2.857 -2.028
132 H LYS 41 H LYS 41 -2.977 -2.574 -1.441
133 HA LYS 41 HA LYS 41 -1.282 -3.771 0.410
134 1HB LYS 41 1HB LYS 41 -3.219 -4.703 -0.928
135 2HB LYS 41 2HB LYS 41 -2.112 -4.922 -2.285
136 1HG LYS 41 1HG LYS 41 -0.792 -6.525 -0.970
137 2HG LYS 41 2HG LYS 41 -1.767 -6.183 0.477
138 1HD LYS 41 1HD LYS 41 -3.787 -7.026 -0.699
139 2HD LYS 41 2HD LYS 41 -2.814 -7.406 -2.125
140 1HE LYS 41 1HE LYS 41 -2.387 -8.594 0.660
141 2HE LYS 41 2HE LYS 41 -3.336 -9.361 -0.615
142 1HZ LYS 41 3HZ LYS 41 -1.326 -9.435 -1.993
143 2HZ LYS 41 1HZ LYS 41 -0.433 -8.757 -0.799
144 3HZ LYS 41 2HZ LYS 41 -1.091 -10.234 -0.592
145 H VAL 42 H VAL 42 -0.167 -2.243 -2.399
146 HA VAL 42 HA VAL 42 2.347 -3.499 -2.905
147 HB VAL 42 HB VAL 42 1.571 -0.551 -3.000
148 1HG1 VAL 42 2HG1 VAL 42 3.826 -2.045 -4.393
149 2HG1 VAL 42 3HG1 VAL 42 3.346 -0.369 -4.735
150 3HG1 VAL 42 1HG1 VAL 42 4.003 -0.782 -3.154
151 1HG2 VAL 42 2HG2 VAL 42 1.456 -2.693 -5.171
152 2HG2 VAL 42 3HG2 VAL 42 0.060 -1.883 -4.428
153 3HG2 VAL 42 1HG2 VAL 42 1.179 -0.956 -5.424
154 H CYS 43 H CYS 43 1.311 -1.320 -0.287
155 HA CYS 43 HA CYS 43 3.932 -1.523 1.090
156 1HB CYS 43 1HB CYS 43 3.952 0.313 -0.650
157 2HB CYS 43 2HB CYS 43 2.658 1.117 0.246
158 H PHE 44 H PHE 44 3.320 0.654 2.780
159 HA PHE 44 HA PHE 44 0.696 0.166 4.063
160 1HB PHE 44 1HB PHE 44 1.530 -0.093 6.237
161 2HB PHE 44 2HB PHE 44 2.485 -1.193 5.263
162 HD1 PHE 44 HD1 PHE 44 2.513 1.692 7.478
163 HD2 PHE 44 HD2 PHE 44 4.889 -0.496 4.616
164 HE1 PHE 44 HE1 PHE 44 4.561 2.818 8.315
165 HE2 PHE 44 HE2 PHE 44 6.933 0.632 5.461
166 HZ PHE 44 HZ PHE 44 6.773 2.294 7.302
167 H LYS 45 H LYS 45 3.298 2.362 3.241
168 HA LYS 45 HA LYS 45 1.582 4.679 3.816
169 1HB LYS 45 1HB LYS 45 2.686 4.161 6.010
170 2HB LYS 45 2HB LYS 45 4.263 4.387 5.253
171 1HG LYS 45 1HG LYS 45 3.659 6.761 4.757
172 2HG LYS 45 2HG LYS 45 2.063 6.494 5.488
173 1HD LYS 45 1HD LYS 45 3.167 5.941 7.655
174 2HD LYS 45 2HD LYS 45 4.753 6.239 6.910
175 1HE LYS 45 1HE LYS 45 4.063 8.581 6.410
176 2HE LYS 45 2HE LYS 45 2.496 8.279 7.172
177 1HZ LYS 45 1HZ LYS 45 3.678 7.853 9.268
178 2HZ LYS 45 2HZ LYS 45 5.123 8.146 8.560
179 3HZ LYS 45 3HZ LYS 45 4.032 9.348 8.718
180 H CYS 46 H CYS 46 5.045 3.914 3.065
181 HA CYS 46 HA CYS 46 5.403 6.375 1.695
182 1HB CYS 46 1HB CYS 46 7.648 5.146 1.081
183 2HB CYS 46 2HB CYS 46 7.296 5.701 2.713
184 H LYS 47 H LYS 47 4.652 3.186 0.421
185 HA LYS 47 HA LYS 47 4.191 2.414 -1.692
186 1HB LYS 47 1HB LYS 47 2.126 3.405 -2.477
187 2HB LYS 47 2HB LYS 47 2.183 3.265 -0.726
188 1HG LYS 47 1HG LYS 47 2.749 5.688 -0.553
189 2HG LYS 47 2HG LYS 47 2.613 5.839 -2.306
190 1HD LYS 47 1HD LYS 47 0.266 5.311 -2.241
191 2HD LYS 47 2HD LYS 47 0.341 4.806 -0.546
192 1HE LYS 47 1HE LYS 47 1.024 7.631 -1.453
193 2HE LYS 47 2HE LYS 47 -0.618 7.136 -1.026
194 1HZ LYS 47 3HZ LYS 47 1.677 6.885 0.851
195 2HZ LYS 47 1HZ LYS 47 0.587 8.116 0.876
196 3HZ LYS 47 2HZ LYS 47 0.122 6.573 1.181
197 H GLN 48 H GLN 48 6.612 4.079 -2.017
198 HA GLN 48 HA GLN 48 6.423 5.454 -4.516
199 1HB GLN 48 1HB GLN 48 8.850 4.197 -3.170
200 2HB GLN 48 2HB GLN 48 8.915 5.322 -4.519
201 1HG GLN 48 1HG GLN 48 7.908 5.923 -1.709
202 2HG GLN 48 2HG GLN 48 9.396 6.485 -2.444
203 1HE2 GLN 48 2HE2 GLN 48 6.065 7.227 -1.963
204 2HE2 GLN 48 1HE2 GLN 48 6.014 8.612 -3.059
205 HA PRO 49 HA PRO 49 5.931 2.655 -7.662
206 1HB PRO 49 2HB PRO 49 8.466 3.631 -8.997
207 2HB PRO 49 1HB PRO 49 6.850 3.350 -9.723
208 1HG PRO 49 1HG PRO 49 7.581 5.848 -9.024
209 2HG PRO 49 2HG PRO 49 5.938 5.257 -8.608
210 1HD PRO 49 1HD PRO 49 8.365 5.481 -6.832
211 2HD PRO 49 2HD PRO 49 6.656 5.876 -6.492
212 H GLY 50 H GLY 50 9.172 2.170 -6.337
213 1HA GLY 50 2HA GLY 50 10.317 0.115 -7.631
214 2HA GLY 50 1HA GLY 50 8.941 -0.733 -6.928
215 H HIS 51 H HIS 51 9.543 1.411 -4.561
216 HA HIS 51 HA HIS 51 11.996 0.508 -3.385
217 1HB HIS 51 1HB HIS 51 11.419 1.878 -1.581
218 2HB HIS 51 2HB HIS 51 10.686 2.684 -2.956
219 HD1 HIS 51 HD1 HIS 51 7.801 1.799 -3.165
220 HD2 HIS 51 HD2 HIS 51 9.936 1.491 0.460
221 HE1 HIS 51 HE1 HIS 51 6.096 1.295 -1.358
222 H PHE 52 H PHE 52 8.723 -0.725 -3.197
223 HA PHE 52 HA PHE 52 8.702 -1.770 -0.626
224 1HB PHE 52 1HB PHE 52 6.741 -3.125 -1.489
225 2HB PHE 52 2HB PHE 52 6.662 -1.390 -1.672
226 HD1 PHE 52 HD1 PHE 52 6.621 -0.321 -3.856
227 HD2 PHE 52 HD2 PHE 52 7.062 -4.600 -3.505
228 HE1 PHE 52 HE1 PHE 52 6.180 -0.567 -6.277
229 HE2 PHE 52 HE2 PHE 52 6.635 -4.836 -5.936
230 HZ PHE 52 HZ PHE 52 6.200 -2.820 -7.330
231 H SER 53 H SER 53 9.599 -3.543 -3.610
232 HA SER 53 HA SER 53 9.969 -6.090 -2.447
233 1HB SER 53 1HB SER 53 11.449 -4.868 -4.806
234 2HB SER 53 2HB SER 53 11.290 -6.598 -4.444
235 HG SER 53 HG SER 53 9.744 -5.898 -5.986
236 H LYS 54 H LYS 54 11.796 -3.354 -1.703
237 HA LYS 54 HA LYS 54 14.049 -4.994 -0.619
238 1HB LYS 54 1HB LYS 54 14.285 -2.207 -1.844
239 2HB LYS 54 2HB LYS 54 15.573 -3.138 -1.095
240 1HG LYS 54 1HG LYS 54 16.089 -3.710 -3.199
241 2HG LYS 54 2HG LYS 54 14.895 -4.965 -2.929
242 1HD LYS 54 1HD LYS 54 14.441 -4.046 -5.070
243 2HD LYS 54 2HD LYS 54 13.173 -3.385 -4.028
244 1HE LYS 54 1HE LYS 54 14.443 -1.269 -3.803
245 2HE LYS 54 2HE LYS 54 15.762 -1.946 -4.767
246 1HZ LYS 54 1HZ LYS 54 14.206 -2.120 -6.643
247 2HZ LYS 54 2HZ LYS 54 12.993 -1.471 -5.749
248 3HZ LYS 54 3HZ LYS 54 14.308 -0.574 -6.131
249 H GLN 55 H GLN 55 11.417 -3.525 0.444
250 HA GLN 55 HA GLN 55 12.658 -2.904 3.031
251 1HB GLN 55 1HB GLN 55 12.793 -0.739 1.787
252 2HB GLN 55 2HB GLN 55 11.041 -0.751 1.593
253 1HG GLN 55 1HG GLN 55 10.824 -0.756 4.115
254 2HG GLN 55 2HG GLN 55 12.583 -0.664 4.230
255 1HE2 GLN 55 1HE2 GLN 55 9.632 1.094 3.403
256 2HE2 GLN 55 2HE2 GLN 55 10.395 2.681 3.325
257 H CYS 56 H CYS 56 9.481 -2.219 1.482
258 HA CYS 56 HA CYS 56 8.143 -2.909 3.951
259 1HB CYS 56 1HB CYS 56 7.101 -1.857 1.285
260 2HB CYS 56 2HB CYS 56 6.203 -1.903 2.810
261 H ARG 57 H ARG 57 8.688 -4.655 1.036
262 HA ARG 57 HA ARG 57 6.724 -6.776 1.761
263 1HB ARG 57 1HB ARG 57 6.136 -4.850 -0.143
264 2HB ARG 57 2HB ARG 57 6.950 -6.031 -1.140
265 1HG ARG 57 1HG ARG 57 4.904 -6.997 -1.301
266 2HG ARG 57 2HG ARG 57 5.217 -7.660 0.297
267 1HD ARG 57 1HD ARG 57 3.638 -5.172 -0.446
268 2HD ARG 57 2HD ARG 57 3.023 -6.652 0.303
269 HE ARG 57 HE ARG 57 5.003 -5.494 2.023
270 1HH1 ARG 57 1HH2 ARG 57 1.787 -4.647 0.928
271 2HH1 ARG 57 2HH2 ARG 57 1.586 -3.498 2.226
272 1HH2 ARG 57 1HH1 ARG 57 4.621 -4.181 3.668
273 2HH2 ARG 57 2HH1 ARG 57 3.051 -3.422 3.881
274 H SER 58 H SER 58 9.769 -6.393 1.643
275 HA SER 58 HA SER 58 11.131 -7.891 -0.217
276 1HB SER 58 1HB SER 58 11.647 -7.893 2.775
277 2HB SER 58 2HB SER 58 12.821 -8.240 1.492
278 HG SER 58 HG SER 58 12.913 -6.044 2.255
No H/Q in entry = 278
Start of MODEL 10
1 H1 GLN 22 H1 GLN 22 -8.161 -0.538 -6.162
2 H2 GLN 22 H3 GLN 22 -7.268 0.757 -5.712
3 H3 GLN 22 H2 GLN 22 -7.208 0.216 -7.267
4 HA GLN 22 HA GLN 22 -6.179 -1.844 -6.578
5 1HB GLN 22 1HB GLN 22 -4.750 0.603 -5.437
6 2HB GLN 22 2HB GLN 22 -4.007 -0.969 -5.709
7 1HG GLN 22 1HG GLN 22 -5.109 0.855 -7.897
8 2HG GLN 22 2HG GLN 22 -3.427 0.672 -7.439
9 1HE2 GLN 22 2HE2 GLN 22 -2.354 -0.534 -9.014
10 2HE2 GLN 22 1HE2 GLN 22 -3.050 -1.958 -9.778
11 H THR 23 H THR 23 -6.295 -3.408 -5.055
12 HA THR 23 HA THR 23 -7.773 -3.196 -2.767
13 HB THR 23 HB THR 23 -5.494 -5.167 -3.128
14 HG1 THR 23 HG1 THR 23 -7.001 -6.346 -4.314
15 1HG2 THR 23 1HG2 THR 23 -8.234 -5.435 -1.799
16 2HG2 THR 23 2HG2 THR 23 -7.054 -6.742 -2.013
17 3HG2 THR 23 3HG2 THR 23 -6.669 -5.387 -0.949
18 H CYS 24 H CYS 24 -7.588 -2.678 -0.702
19 HA CYS 24 HA CYS 24 -5.640 -1.005 0.321
20 1HB CYS 24 1HB CYS 24 -8.028 -1.474 1.070
21 2HB CYS 24 2HB CYS 24 -7.406 -2.893 1.920
22 H TYR 25 H TYR 25 -4.009 -1.160 1.866
23 HA TYR 25 HA TYR 25 -2.443 -3.585 2.162
24 1HB TYR 25 1HB TYR 25 -0.978 -2.340 3.390
25 2HB TYR 25 2HB TYR 25 -1.628 -1.132 2.306
26 HD1 TYR 25 HD1 TYR 25 -0.565 -1.646 5.545
27 HD2 TYR 25 HD2 TYR 25 -3.957 0.028 3.463
28 HE1 TYR 25 HE1 TYR 25 -1.102 -0.250 7.529
29 HE2 TYR 25 HE2 TYR 25 -4.524 1.357 5.476
30 HH TYR 25 HH TYR 25 -2.560 1.276 8.453
31 H ASN 26 H ASN 26 -5.275 -2.483 3.738
32 HA ASN 26 HA ASN 26 -4.867 -4.302 6.099
33 1HB ASN 26 1HB ASN 26 -4.371 -2.009 6.721
34 2HB ASN 26 2HB ASN 26 -5.828 -1.408 5.935
35 1HD2 ASN 26 2HD2 ASN 26 -7.865 -1.597 7.016
36 2HD2 ASN 26 1HD2 ASN 26 -7.928 -2.112 8.694
37 H CYS 27 H CYS 27 -7.338 -2.489 4.218
38 HA CYS 27 HA CYS 27 -9.512 -3.756 5.578
39 1HB CYS 27 1HB CYS 27 -9.498 -1.977 3.110
40 2HB CYS 27 2HB CYS 27 -10.863 -2.277 4.191
41 H GLY 28 H GLY 28 -7.712 -4.930 2.951
42 1HA GLY 28 2HA GLY 28 -9.275 -7.220 2.465
43 2HA GLY 28 1HA GLY 28 -8.002 -6.606 1.406
44 H LYS 29 H LYS 29 -9.394 -4.100 0.809
45 HA LYS 29 HA LYS 29 -11.820 -4.980 -0.707
46 1HB LYS 29 1HB LYS 29 -12.263 -3.737 1.367
47 2HB LYS 29 2HB LYS 29 -11.259 -2.418 0.808
48 1HG LYS 29 1HG LYS 29 -13.518 -1.769 0.485
49 2HG LYS 29 2HG LYS 29 -12.873 -2.085 -1.127
50 1HD LYS 29 1HD LYS 29 -13.992 -4.308 -1.140
51 2HD LYS 29 2HD LYS 29 -14.556 -4.034 0.522
52 1HE LYS 29 1HE LYS 29 -15.810 -2.023 -0.257
53 2HE LYS 29 2HE LYS 29 -15.283 -2.340 -1.913
54 1HZ LYS 29 2HZ LYS 29 -16.471 -4.476 -1.802
55 2HZ LYS 29 3HZ LYS 29 -16.954 -4.172 -0.270
56 3HZ LYS 29 1HZ LYS 29 -17.498 -3.247 -1.496
57 HA PRO 30 HA PRO 30 -9.271 -3.734 -4.236
58 1HB PRO 30 2HB PRO 30 -11.997 -3.768 -5.532
59 2HB PRO 30 1HB PRO 30 -10.435 -4.368 -6.175
60 1HG PRO 30 1HG PRO 30 -12.185 -6.106 -5.084
61 2HG PRO 30 2HG PRO 30 -10.445 -6.221 -4.659
62 1HD PRO 30 1HD PRO 30 -12.696 -4.994 -3.064
63 2HD PRO 30 2HD PRO 30 -11.339 -6.025 -2.516
64 H GLY 31 H GLY 31 -12.211 -1.905 -3.447
65 1HA GLY 31 2HA GLY 31 -12.926 0.231 -3.893
66 2HA GLY 31 1HA GLY 31 -11.727 0.331 -5.181
67 H HIS 32 H HIS 32 -9.384 -0.021 -3.543
68 HA HIS 32 HA HIS 32 -9.411 2.400 -1.804
69 1HB HIS 32 1HB HIS 32 -7.994 -0.231 -1.630
70 2HB HIS 32 2HB HIS 32 -7.148 1.197 -1.049
71 HD1 HIS 32 HD1 HIS 32 -10.500 -0.620 -0.405
72 HD2 HIS 32 HD2 HIS 32 -7.730 2.004 1.330
73 HE1 HIS 32 HE1 HIS 32 -11.267 -0.261 2.021
74 H LEU 33 H LEU 33 -7.608 3.661 -1.663
75 HA LEU 33 HA LEU 33 -5.707 4.074 -3.837
76 1HB LEU 33 1HB LEU 33 -8.058 5.945 -3.243
77 2HB LEU 33 2HB LEU 33 -6.637 6.451 -4.143
78 HG LEU 33 HG LEU 33 -8.619 4.335 -5.066
79 1HD1 LEU 33 1HD1 LEU 33 -9.537 6.609 -5.061
80 2HD1 LEU 33 2HD1 LEU 33 -8.138 7.191 -5.990
81 3HD1 LEU 33 3HD1 LEU 33 -9.272 6.025 -6.712
82 1HD2 LEU 33 1HD2 LEU 33 -6.228 5.606 -6.485
83 2HD2 LEU 33 2HD2 LEU 33 -6.357 3.903 -5.986
84 3HD2 LEU 33 3HD2 LEU 33 -7.430 4.535 -7.239
85 H SER 34 H SER 34 -4.497 6.210 -3.256
86 HA SER 34 HA SER 34 -3.636 6.374 -0.533
87 1HB SER 34 1HB SER 34 -2.597 8.510 -1.290
88 2HB SER 34 2HB SER 34 -2.246 7.132 -2.351
89 HG SER 34 HG SER 34 -2.862 9.024 -3.529
90 H SER 35 H SER 35 -6.444 7.744 -2.091
91 HA SER 35 HA SER 35 -7.042 9.664 0.055
92 1HB SER 35 1HB SER 35 -9.085 10.062 -1.302
93 2HB SER 35 2HB SER 35 -7.586 10.256 -2.226
94 HG SER 35 HG SER 35 -9.186 9.012 -3.343
95 H GLN 36 H GLN 36 -7.336 6.329 -0.147
96 HA GLN 36 HA GLN 36 -9.885 6.222 1.424
97 1HB GLN 36 1HB GLN 36 -9.583 5.088 -0.931
98 2HB GLN 36 2HB GLN 36 -8.618 3.914 -0.047
99 1HG GLN 36 1HG GLN 36 -10.719 2.917 -0.034
100 2HG GLN 36 2HG GLN 36 -10.736 3.725 1.525
101 1HE2 GLN 36 2HE2 GLN 36 -12.168 3.544 -1.689
102 2HE2 GLN 36 1HE2 GLN 36 -13.375 4.797 -1.409
103 H CYS 37 H CYS 37 -6.564 4.928 1.218
104 HA CYS 37 HA CYS 37 -6.363 4.850 4.145
105 1HB CYS 37 1HB CYS 37 -6.005 2.410 2.367
106 2HB CYS 37 2HB CYS 37 -4.983 2.606 3.759
107 H ARG 38 H ARG 38 -4.030 4.434 4.749
108 HA ARG 38 HA ARG 38 -2.254 6.341 3.661
109 1HB ARG 38 1HB ARG 38 -1.699 3.833 5.306
110 2HB ARG 38 2HB ARG 38 -0.516 5.095 4.979
111 1HG ARG 38 1HG ARG 38 -1.203 6.256 6.726
112 2HG ARG 38 2HG ARG 38 -2.787 6.477 6.007
113 1HD ARG 38 1HD ARG 38 -1.960 4.069 7.692
114 2HD ARG 38 2HD ARG 38 -2.755 5.490 8.348
115 HE ARG 38 HE ARG 38 -3.992 3.282 6.986
116 1HH1 ARG 38 1HH1 ARG 38 -4.465 6.654 7.805
117 2HH1 ARG 38 2HH1 ARG 38 -6.188 6.567 7.574
118 1HH2 ARG 38 2HH2 ARG 38 -6.216 3.330 6.442
119 2HH2 ARG 38 1HH2 ARG 38 -7.129 4.730 6.879
120 H ALA 39 H ALA 39 -2.571 2.924 2.731
121 HA ALA 39 HA ALA 39 -1.372 3.538 0.166
122 1HB ALA 39 3HB ALA 39 -0.002 1.528 2.016
123 2HB ALA 39 1HB ALA 39 0.422 1.801 0.321
124 3HB ALA 39 2HB ALA 39 0.683 3.092 1.506
125 HA PRO 40 HA PRO 40 -3.661 -0.349 -0.818
126 1HB PRO 40 2HB PRO 40 -2.626 -0.968 -3.247
127 2HB PRO 40 1HB PRO 40 -3.712 0.435 -3.017
128 1HG PRO 40 1HG PRO 40 -0.677 0.431 -3.112
129 2HG PRO 40 2HG PRO 40 -1.807 1.483 -4.020
130 1HD PRO 40 1HD PRO 40 -0.609 2.246 -1.671
131 2HD PRO 40 2HD PRO 40 -2.248 2.796 -2.126
132 H LYS 41 H LYS 41 -2.949 -2.624 -1.449
133 HA LYS 41 HA LYS 41 -1.238 -3.795 0.403
134 1HB LYS 41 1HB LYS 41 -3.148 -4.790 -0.899
135 2HB LYS 41 2HB LYS 41 -2.073 -4.948 -2.290
136 1HG LYS 41 1HG LYS 41 -0.654 -6.523 -1.051
137 2HG LYS 41 2HG LYS 41 -1.580 -6.233 0.437
138 1HD LYS 41 1HD LYS 41 -3.594 -7.204 -0.619
139 2HD LYS 41 2HD LYS 41 -2.692 -7.446 -2.135
140 1HE LYS 41 1HE LYS 41 -1.092 -8.928 -0.941
141 2HE LYS 41 2HE LYS 41 -1.989 -8.694 0.564
142 1HZ LYS 41 3HZ LYS 41 -3.090 -9.957 -1.892
143 2HZ LYS 41 1HZ LYS 41 -2.638 -10.755 -0.544
144 3HZ LYS 41 2HZ LYS 41 -3.917 -9.745 -0.496
145 H VAL 42 H VAL 42 -0.144 -2.273 -2.431
146 HA VAL 42 HA VAL 42 2.390 -3.489 -2.907
147 HB VAL 42 HB VAL 42 1.586 -0.551 -3.028
148 1HG1 VAL 42 2HG1 VAL 42 3.860 -2.033 -4.402
149 2HG1 VAL 42 3HG1 VAL 42 3.366 -0.363 -4.753
150 3HG1 VAL 42 1HG1 VAL 42 4.019 -0.762 -3.167
151 1HG2 VAL 42 2HG2 VAL 42 1.504 -2.713 -5.182
152 2HG2 VAL 42 3HG2 VAL 42 0.095 -1.912 -4.453
153 3HG2 VAL 42 1HG2 VAL 42 1.209 -0.982 -5.450
154 H CYS 43 H CYS 43 1.323 -1.298 -0.309
155 HA CYS 43 HA CYS 43 3.927 -1.503 1.098
156 1HB CYS 43 1HB CYS 43 3.993 0.334 -0.637
157 2HB CYS 43 2HB CYS 43 2.681 1.144 0.227
158 H PHE 44 H PHE 44 3.296 0.676 2.779
159 HA PHE 44 HA PHE 44 0.639 0.237 4.006
160 1HB PHE 44 1HB PHE 44 1.425 -0.059 6.200
161 2HB PHE 44 2HB PHE 44 2.343 -1.195 5.232
162 HD1 PHE 44 HD1 PHE 44 2.473 1.663 7.475
163 HD2 PHE 44 HD2 PHE 44 4.783 -0.602 4.617
164 HE1 PHE 44 HE1 PHE 44 4.561 2.681 8.353
165 HE2 PHE 44 HE2 PHE 44 6.865 0.420 5.503
166 HZ PHE 44 HZ PHE 44 6.760 2.066 7.362
167 H LYS 45 H LYS 45 3.277 2.363 3.195
168 HA LYS 45 HA LYS 45 1.701 4.745 3.922
169 1HB LYS 45 1HB LYS 45 2.837 4.128 6.041
170 2HB LYS 45 2HB LYS 45 4.403 4.167 5.229
171 1HG LYS 45 1HG LYS 45 4.086 6.607 4.781
172 2HG LYS 45 2HG LYS 45 2.507 6.534 5.594
173 1HD LYS 45 1HD LYS 45 3.634 5.820 7.694
174 2HD LYS 45 2HD LYS 45 5.208 5.878 6.868
175 1HE LYS 45 1HE LYS 45 4.860 8.302 6.404
176 2HE LYS 45 2HE LYS 45 3.311 8.240 7.254
177 1HZ LYS 45 2HZ LYS 45 4.528 7.621 9.279
178 2HZ LYS 45 3HZ LYS 45 5.959 7.686 8.490
179 3HZ LYS 45 1HZ LYS 45 5.082 9.044 8.706
180 H CYS 46 H CYS 46 5.111 3.891 3.061
181 HA CYS 46 HA CYS 46 5.481 6.367 1.721
182 1HB CYS 46 1HB CYS 46 7.730 5.143 1.122
183 2HB CYS 46 2HB CYS 46 7.359 5.680 2.757
184 H LYS 47 H LYS 47 4.699 3.201 0.417
185 HA LYS 47 HA LYS 47 4.240 2.454 -1.706
186 1HB LYS 47 1HB LYS 47 2.216 3.522 -2.522
187 2HB LYS 47 2HB LYS 47 2.237 3.346 -0.774
188 1HG LYS 47 1HG LYS 47 2.852 5.736 -0.528
189 2HG LYS 47 2HG LYS 47 2.798 5.940 -2.279
190 1HD LYS 47 1HD LYS 47 0.432 5.527 -2.331
191 2HD LYS 47 2HD LYS 47 0.407 4.945 -0.659
192 1HE LYS 47 1HE LYS 47 1.261 7.774 -1.406
193 2HE LYS 47 2HE LYS 47 -0.420 7.348 -1.070
194 1HZ LYS 47 2HZ LYS 47 1.788 6.917 0.880
195 2HZ LYS 47 3HZ LYS 47 0.732 8.173 0.926
196 3HZ LYS 47 1HZ LYS 47 0.216 6.630 1.139
197 H GLN 48 H GLN 48 6.710 4.056 -1.983
198 HA GLN 48 HA GLN 48 6.592 5.456 -4.477
199 1HB GLN 48 1HB GLN 48 8.971 4.156 -3.082
200 2HB GLN 48 2HB GLN 48 9.084 5.283 -4.424
201 1HG GLN 48 1HG GLN 48 8.027 5.891 -1.637
202 2HG GLN 48 2HG GLN 48 9.538 6.431 -2.338
203 1HE2 GLN 48 2HE2 GLN 48 6.214 7.229 -1.924
204 2HE2 GLN 48 1HE2 GLN 48 6.208 8.619 -3.017
205 HA PRO 49 HA PRO 49 6.168 2.683 -7.660
206 1HB PRO 49 2HB PRO 49 8.755 3.631 -8.908
207 2HB PRO 49 1HB PRO 49 7.158 3.383 -9.685
208 1HG PRO 49 1HG PRO 49 7.906 5.864 -8.943
209 2HG PRO 49 2HG PRO 49 6.242 5.297 -8.579
210 1HD PRO 49 1HD PRO 49 8.627 5.458 -6.736
211 2HD PRO 49 2HD PRO 49 6.918 5.889 -6.438
212 H GLY 50 H GLY 50 9.337 2.123 -6.211
213 1HA GLY 50 2HA GLY 50 10.523 0.076 -7.466
214 2HA GLY 50 1HA GLY 50 9.086 -0.767 -6.889
215 H HIS 51 H HIS 51 9.764 1.432 -4.491
216 HA HIS 51 HA HIS 51 12.045 0.375 -3.180
217 1HB HIS 51 1HB HIS 51 11.455 1.792 -1.417
218 2HB HIS 51 2HB HIS 51 10.795 2.612 -2.822
219 HD1 HIS 51 HD1 HIS 51 7.897 1.764 -3.133
220 HD2 HIS 51 HD2 HIS 51 9.895 1.446 0.567
221 HE1 HIS 51 HE1 HIS 51 6.122 1.270 -1.389
222 H PHE 52 H PHE 52 8.746 -0.800 -3.192
223 HA PHE 52 HA PHE 52 8.606 -1.906 -0.614
224 1HB PHE 52 1HB PHE 52 6.679 -3.225 -1.613
225 2HB PHE 52 2HB PHE 52 6.603 -1.480 -1.697
226 HD1 PHE 52 HD1 PHE 52 7.047 -4.580 -3.701
227 HD2 PHE 52 HD2 PHE 52 6.632 -0.285 -3.812
228 HE1 PHE 52 HE1 PHE 52 6.671 -4.672 -6.150
229 HE2 PHE 52 HE2 PHE 52 6.240 -0.387 -6.251
230 HZ PHE 52 HZ PHE 52 6.272 -2.575 -7.434
231 H SER 53 H SER 53 9.568 -3.547 -3.654
232 HA SER 53 HA SER 53 9.934 -6.141 -2.594
233 1HB SER 53 1HB SER 53 11.401 -4.804 -4.900
234 2HB SER 53 2HB SER 53 11.274 -6.551 -4.609
235 HG SER 53 HG SER 53 9.711 -5.826 -6.119
236 H LYS 54 H LYS 54 11.736 -3.449 -1.706
237 HA LYS 54 HA LYS 54 13.936 -5.135 -0.624
238 1HB LYS 54 1HB LYS 54 15.595 -3.459 -1.231
239 2HB LYS 54 2HB LYS 54 14.775 -4.083 -2.657
240 1HG LYS 54 1HG LYS 54 13.389 -2.039 -2.799
241 2HG LYS 54 2HG LYS 54 14.101 -1.431 -1.296
242 1HD LYS 54 1HD LYS 54 15.141 -0.296 -3.125
243 2HD LYS 54 2HD LYS 54 16.340 -1.388 -2.414
244 1HE LYS 54 1HE LYS 54 15.880 -3.048 -4.224
245 2HE LYS 54 2HE LYS 54 14.671 -1.954 -4.913
246 1HZ LYS 54 1HZ LYS 54 16.459 -0.333 -5.289
247 2HZ LYS 54 2HZ LYS 54 17.571 -1.348 -4.655
248 3HZ LYS 54 3HZ LYS 54 16.808 -1.735 -6.044
249 H GLN 55 H GLN 55 11.400 -3.592 0.410
250 HA GLN 55 HA GLN 55 12.672 -2.959 2.975
251 1HB GLN 55 1HB GLN 55 12.803 -0.797 1.722
252 2HB GLN 55 2HB GLN 55 11.048 -0.801 1.550
253 1HG GLN 55 1HG GLN 55 10.864 -0.813 4.078
254 2HG GLN 55 2HG GLN 55 12.625 -0.715 4.166
255 1HE2 GLN 55 1HE2 GLN 55 9.656 1.039 3.426
256 2HE2 GLN 55 2HE2 GLN 55 10.413 2.626 3.323
257 H CYS 56 H CYS 56 9.480 -2.235 1.475
258 HA CYS 56 HA CYS 56 8.171 -2.947 3.948
259 1HB CYS 56 1HB CYS 56 7.096 -1.886 1.299
260 2HB CYS 56 2HB CYS 56 6.212 -1.947 2.833
261 H ARG 57 H ARG 57 8.683 -4.693 1.031
262 HA ARG 57 HA ARG 57 6.711 -6.807 1.757
263 1HB ARG 57 1HB ARG 57 6.128 -4.856 -0.124
264 2HB ARG 57 2HB ARG 57 6.922 -6.035 -1.139
265 1HG ARG 57 1HG ARG 57 4.868 -6.981 -1.294
266 2HG ARG 57 2HG ARG 57 5.183 -7.660 0.299
267 1HD ARG 57 1HD ARG 57 3.631 -5.146 -0.416
268 2HD ARG 57 2HD ARG 57 2.999 -6.624 0.320
269 HE ARG 57 HE ARG 57 5.000 -5.509 2.044
270 1HH1 ARG 57 2HH2 ARG 57 1.799 -4.613 0.962
271 2HH1 ARG 57 1HH2 ARG 57 1.606 -3.472 2.268
272 1HH2 ARG 57 2HH1 ARG 57 4.639 -4.204 3.702
273 2HH2 ARG 57 1HH1 ARG 57 3.077 -3.433 3.930
274 H SER 58 H SER 58 9.763 -6.442 1.607
275 HA SER 58 HA SER 58 11.096 -7.912 -0.288
276 1HB SER 58 1HB SER 58 11.641 -7.973 2.698
277 2HB SER 58 2HB SER 58 12.801 -8.305 1.396
278 HG SER 58 HG SER 58 12.904 -6.120 2.206
No H/Q in entry = 278
Start of MODEL 11
1 H1 GLN 22 H2 GLN 22 -8.054 -0.172 -7.100
2 H2 GLN 22 H1 GLN 22 -7.304 0.935 -6.147
3 H3 GLN 22 H3 GLN 22 -6.737 0.641 -7.661
4 HA GLN 22 HA GLN 22 -6.151 -1.619 -7.046
5 1HB GLN 22 1HB GLN 22 -4.934 0.583 -5.304
6 2HB GLN 22 2HB GLN 22 -4.325 -1.058 -5.371
7 1HG GLN 22 1HG GLN 22 -2.908 0.006 -6.783
8 2HG GLN 22 2HG GLN 22 -4.029 -0.766 -7.893
9 1HE2 GLN 22 1HE2 GLN 22 -2.364 2.104 -7.367
10 2HE2 GLN 22 2HE2 GLN 22 -3.459 3.174 -8.232
11 H THR 23 H THR 23 -5.282 -2.477 -4.544
12 HA THR 23 HA THR 23 -7.826 -2.913 -3.012
13 HB THR 23 HB THR 23 -5.532 -4.832 -3.578
14 HG1 THR 23 HG1 THR 23 -7.051 -5.876 -4.845
15 1HG2 THR 23 3HG2 THR 23 -8.190 -5.361 -2.177
16 2HG2 THR 23 1HG2 THR 23 -6.977 -6.579 -2.618
17 3HG2 THR 23 2HG2 THR 23 -6.587 -5.364 -1.398
18 H CYS 24 H CYS 24 -7.666 -2.931 -0.760
19 HA CYS 24 HA CYS 24 -5.816 -1.129 0.343
20 1HB CYS 24 1HB CYS 24 -8.190 -1.765 1.074
21 2HB CYS 24 2HB CYS 24 -7.464 -3.155 1.887
22 H TYR 25 H TYR 25 -4.189 -1.273 1.856
23 HA TYR 25 HA TYR 25 -2.528 -3.658 2.066
24 1HB TYR 25 1HB TYR 25 -1.050 -2.369 3.233
25 2HB TYR 25 2HB TYR 25 -1.765 -1.183 2.163
26 HD1 TYR 25 HD1 TYR 25 -0.656 -1.752 5.413
27 HD2 TYR 25 HD2 TYR 25 -4.008 0.022 3.349
28 HE1 TYR 25 HE1 TYR 25 -1.167 -0.376 7.418
29 HE2 TYR 25 HE2 TYR 25 -4.533 1.359 5.371
30 HH TYR 25 HH TYR 25 -2.598 1.142 8.366
31 H ASN 26 H ASN 26 -5.321 -2.578 3.755
32 HA ASN 26 HA ASN 26 -4.754 -4.333 6.131
33 1HB ASN 26 1HB ASN 26 -4.206 -2.036 6.668
34 2HB ASN 26 2HB ASN 26 -5.709 -1.440 5.968
35 1HD2 ASN 26 1HD2 ASN 26 -7.642 -1.537 7.212
36 2HD2 ASN 26 2HD2 ASN 26 -7.603 -2.042 8.894
37 H CYS 27 H CYS 27 -7.380 -2.523 4.441
38 HA CYS 27 HA CYS 27 -9.487 -3.806 5.862
39 1HB CYS 27 1HB CYS 27 -9.569 -2.315 3.200
40 2HB CYS 27 2HB CYS 27 -10.915 -2.576 4.313
41 H GLY 28 H GLY 28 -7.681 -4.859 3.098
42 1HA GLY 28 2HA GLY 28 -9.119 -7.317 2.684
43 2HA GLY 28 1HA GLY 28 -7.834 -6.655 1.670
44 H LYS 29 H LYS 29 -9.958 -4.194 1.643
45 HA LYS 29 HA LYS 29 -11.965 -5.233 -0.264
46 1HB LYS 29 1HB LYS 29 -11.558 -2.709 1.338
47 2HB LYS 29 2HB LYS 29 -12.404 -2.555 -0.185
48 1HG LYS 29 1HG LYS 29 -14.025 -2.738 1.473
49 2HG LYS 29 2HG LYS 29 -14.097 -4.209 0.516
50 1HD LYS 29 1HD LYS 29 -12.556 -4.094 3.136
51 2HD LYS 29 2HD LYS 29 -14.309 -4.303 3.119
52 1HE LYS 29 1HE LYS 29 -14.154 -6.338 1.801
53 2HE LYS 29 2HE LYS 29 -12.405 -6.152 1.633
54 1HZ LYS 29 3HZ LYS 29 -13.806 -6.555 4.219
55 2HZ LYS 29 1HZ LYS 29 -12.956 -7.701 3.421
56 3HZ LYS 29 2HZ LYS 29 -12.185 -6.386 4.026
57 HA PRO 30 HA PRO 30 -9.911 -3.308 -3.888
58 1HB PRO 30 2HB PRO 30 -11.972 -3.341 -5.642
59 2HB PRO 30 1HB PRO 30 -11.193 -4.852 -5.101
60 1HG PRO 30 1HG PRO 30 -13.732 -3.588 -4.016
61 2HG PRO 30 2HG PRO 30 -13.488 -5.279 -4.562
62 1HD PRO 30 1HD PRO 30 -13.299 -4.505 -1.936
63 2HD PRO 30 2HD PRO 30 -12.314 -5.836 -2.614
64 H GLY 31 H GLY 31 -11.065 -1.399 -5.479
65 1HA GLY 31 2HA GLY 31 -12.781 0.515 -4.253
66 2HA GLY 31 1HA GLY 31 -11.680 0.823 -5.602
67 H HIS 32 H HIS 32 -9.295 0.086 -4.024
68 HA HIS 32 HA HIS 32 -9.150 2.280 -2.010
69 1HB HIS 32 1HB HIS 32 -8.133 -0.533 -2.099
70 2HB HIS 32 2HB HIS 32 -7.097 0.671 -1.346
71 HD1 HIS 32 HD1 HIS 32 -10.762 -0.586 -0.930
72 HD2 HIS 32 HD2 HIS 32 -7.621 1.371 1.068
73 HE1 HIS 32 HE1 HIS 32 -11.505 -0.317 1.506
74 H LEU 33 H LEU 33 -7.429 3.529 -1.830
75 HA LEU 33 HA LEU 33 -5.321 3.827 -3.848
76 1HB LEU 33 1HB LEU 33 -7.684 5.745 -3.483
77 2HB LEU 33 2HB LEU 33 -6.209 6.188 -4.325
78 HG LEU 33 HG LEU 33 -8.154 4.042 -5.260
79 1HD1 LEU 33 1HD1 LEU 33 -9.082 6.308 -5.383
80 2HD1 LEU 33 2HD1 LEU 33 -7.641 6.866 -6.262
81 3HD1 LEU 33 3HD1 LEU 33 -8.733 5.667 -6.997
82 1HD2 LEU 33 2HD2 LEU 33 -5.707 5.277 -6.611
83 2HD2 LEU 33 3HD2 LEU 33 -5.838 3.599 -6.039
84 3HD2 LEU 33 1HD2 LEU 33 -6.856 4.155 -7.371
85 H SER 34 H SER 34 -4.075 5.887 -3.273
86 HA SER 34 HA SER 34 -3.358 6.289 -0.590
87 1HB SER 34 1HB SER 34 -3.329 8.331 -2.842
88 2HB SER 34 2HB SER 34 -2.295 8.326 -1.401
89 HG SER 34 HG SER 34 -1.367 7.423 -3.405
90 H SER 35 H SER 35 -6.201 7.502 -2.221
91 HA SER 35 HA SER 35 -6.831 9.539 -0.177
92 1HB SER 35 1HB SER 35 -8.772 9.966 -1.686
93 2HB SER 35 2HB SER 35 -7.200 10.121 -2.489
94 HG SER 35 HG SER 35 -8.723 8.897 -3.724
95 H GLN 36 H GLN 36 -7.243 6.212 -0.384
96 HA GLN 36 HA GLN 36 -9.856 6.206 1.084
97 1HB GLN 36 1HB GLN 36 -9.514 4.930 -1.157
98 2HB GLN 36 2HB GLN 36 -8.476 3.849 -0.229
99 1HG GLN 36 1HG GLN 36 -10.563 2.780 -0.248
100 2HG GLN 36 2HG GLN 36 -10.505 3.511 1.349
101 1HE2 GLN 36 2HE2 GLN 36 -12.059 3.532 -1.835
102 2HE2 GLN 36 1HE2 GLN 36 -13.328 4.672 -1.387
103 H CYS 37 H CYS 37 -6.544 4.897 1.079
104 HA CYS 37 HA CYS 37 -6.463 4.752 4.027
105 1HB CYS 37 1HB CYS 37 -6.044 2.427 2.108
106 2HB CYS 37 2HB CYS 37 -5.171 2.493 3.625
107 H ARG 38 H ARG 38 -4.150 4.311 4.710
108 HA ARG 38 HA ARG 38 -2.372 6.291 3.720
109 1HB ARG 38 1HB ARG 38 -1.904 3.829 5.450
110 2HB ARG 38 2HB ARG 38 -0.659 5.034 5.129
111 1HG ARG 38 1HG ARG 38 -1.453 6.473 6.629
112 2HG ARG 38 2HG ARG 38 -3.087 6.399 5.993
113 1HD ARG 38 1HD ARG 38 -1.867 4.384 7.926
114 2HD ARG 38 2HD ARG 38 -2.899 5.728 8.402
115 HE ARG 38 HE ARG 38 -3.722 3.173 7.349
116 1HH1 ARG 38 1HH2 ARG 38 -4.818 6.507 7.537
117 2HH1 ARG 38 2HH2 ARG 38 -6.481 6.058 7.285
118 1HH2 ARG 38 2HH1 ARG 38 -5.848 2.694 7.008
119 2HH2 ARG 38 1HH1 ARG 38 -7.033 3.959 6.928
120 H ALA 39 H ALA 39 -2.603 2.912 2.723
121 HA ALA 39 HA ALA 39 -1.389 3.641 0.213
122 1HB ALA 39 1HB ALA 39 -0.017 1.524 1.938
123 2HB ALA 39 2HB ALA 39 0.402 1.897 0.262
124 3HB ALA 39 3HB ALA 39 0.675 3.113 1.519
125 HA PRO 40 HA PRO 40 -3.717 -0.183 -0.910
126 1HB PRO 40 2HB PRO 40 -2.673 -0.746 -3.354
127 2HB PRO 40 1HB PRO 40 -3.761 0.649 -3.086
128 1HG PRO 40 1HG PRO 40 -0.726 0.651 -3.187
129 2HG PRO 40 2HG PRO 40 -1.861 1.731 -4.059
130 1HD PRO 40 1HD PRO 40 -0.656 2.425 -1.693
131 2HD PRO 40 2HD PRO 40 -2.297 2.984 -2.123
132 H LYS 41 H LYS 41 -3.044 -2.444 -1.578
133 HA LYS 41 HA LYS 41 -1.362 -3.668 0.255
134 1HB LYS 41 1HB LYS 41 -3.295 -4.574 -1.150
135 2HB LYS 41 2HB LYS 41 -2.130 -4.840 -2.445
136 1HG LYS 41 1HG LYS 41 -0.886 -6.424 -1.031
137 2HG LYS 41 2HG LYS 41 -1.906 -6.021 0.365
138 1HD LYS 41 1HD LYS 41 -3.885 -6.933 -0.809
139 2HD LYS 41 2HD LYS 41 -2.877 -7.307 -2.228
140 1HE LYS 41 1HE LYS 41 -1.472 -8.807 -0.832
141 2HE LYS 41 2HE LYS 41 -2.471 -8.437 0.580
142 1HZ LYS 41 2HZ LYS 41 -3.447 -9.775 -1.891
143 2HZ LYS 41 3HZ LYS 41 -3.154 -10.519 -0.470
144 3HZ LYS 41 1HZ LYS 41 -4.368 -9.437 -0.582
145 H VAL 42 H VAL 42 -0.205 -2.112 -2.514
146 HA VAL 42 HA VAL 42 2.302 -3.388 -3.018
147 HB VAL 42 HB VAL 42 1.547 -0.434 -3.070
148 1HG1 VAL 42 1HG1 VAL 42 3.829 -1.904 -4.448
149 2HG1 VAL 42 2HG1 VAL 42 3.355 -0.221 -4.765
150 3HG1 VAL 42 3HG1 VAL 42 3.980 -0.666 -3.178
151 1HG2 VAL 42 2HG2 VAL 42 1.473 -2.533 -5.282
152 2HG2 VAL 42 3HG2 VAL 42 0.062 -1.739 -4.550
153 3HG2 VAL 42 1HG2 VAL 42 1.199 -0.793 -5.505
154 H CYS 43 H CYS 43 1.271 -1.227 -0.381
155 HA CYS 43 HA CYS 43 3.854 -1.529 1.042
156 1HB CYS 43 1HB CYS 43 3.985 0.342 -0.652
157 2HB CYS 43 2HB CYS 43 2.688 1.168 0.222
158 H PHE 44 H PHE 44 3.218 0.678 2.735
159 HA PHE 44 HA PHE 44 0.559 0.210 3.947
160 1HB PHE 44 1HB PHE 44 1.327 -0.111 6.141
161 2HB PHE 44 2HB PHE 44 2.267 -1.225 5.167
162 HD1 PHE 44 HD1 PHE 44 2.344 1.586 7.464
163 HD2 PHE 44 HD2 PHE 44 4.707 -0.582 4.575
164 HE1 PHE 44 HE1 PHE 44 4.411 2.616 8.378
165 HE2 PHE 44 HE2 PHE 44 6.768 0.452 5.495
166 HZ PHE 44 HZ PHE 44 6.625 2.055 7.388
167 H LYS 45 H LYS 45 3.260 2.343 3.280
168 HA LYS 45 HA LYS 45 1.623 4.714 3.910
169 1HB LYS 45 1HB LYS 45 2.655 4.076 6.086
170 2HB LYS 45 2HB LYS 45 4.260 4.183 5.362
171 1HG LYS 45 1HG LYS 45 3.890 6.614 4.937
172 2HG LYS 45 2HG LYS 45 2.262 6.477 5.633
173 1HD LYS 45 1HD LYS 45 3.261 5.767 7.799
174 2HD LYS 45 2HD LYS 45 4.885 5.905 7.091
175 1HE LYS 45 1HE LYS 45 4.473 8.320 6.644
176 2HE LYS 45 2HE LYS 45 2.864 8.178 7.362
177 1HZ LYS 45 3HZ LYS 45 3.936 7.573 9.472
178 2HZ LYS 45 1HZ LYS 45 5.423 7.713 8.806
179 3HZ LYS 45 2HZ LYS 45 4.473 9.028 8.968
180 H CYS 46 H CYS 46 5.063 3.835 3.173
181 HA CYS 46 HA CYS 46 5.520 6.336 1.898
182 1HB CYS 46 1HB CYS 46 7.763 5.097 1.343
183 2HB CYS 46 2HB CYS 46 7.347 5.576 2.984
184 H LYS 47 H LYS 47 4.754 3.196 0.510
185 HA LYS 47 HA LYS 47 4.335 2.502 -1.641
186 1HB LYS 47 1HB LYS 47 2.308 3.561 -2.441
187 2HB LYS 47 2HB LYS 47 2.320 3.347 -0.697
188 1HG LYS 47 1HG LYS 47 2.912 5.747 -0.402
189 2HG LYS 47 2HG LYS 47 2.839 5.979 -2.151
190 1HD LYS 47 1HD LYS 47 0.484 5.489 -2.190
191 2HD LYS 47 2HD LYS 47 0.488 4.911 -0.518
192 1HE LYS 47 1HE LYS 47 1.251 7.761 -1.275
193 2HE LYS 47 2HE LYS 47 -0.414 7.278 -0.936
194 1HZ LYS 47 2HZ LYS 47 1.801 6.920 1.016
195 2HZ LYS 47 3HZ LYS 47 0.715 8.152 1.053
196 3HZ LYS 47 1HZ LYS 47 0.232 6.599 1.272
197 H GLN 48 H GLN 48 6.795 4.121 -1.861
198 HA GLN 48 HA GLN 48 6.690 5.575 -4.324
199 1HB GLN 48 1HB GLN 48 9.059 4.241 -2.947
200 2HB GLN 48 2HB GLN 48 9.182 5.401 -4.262
201 1HG GLN 48 1HG GLN 48 8.112 5.940 -1.463
202 2HG GLN 48 2HG GLN 48 9.625 6.502 -2.149
203 1HE2 GLN 48 2HE2 GLN 48 6.297 7.278 -1.721
204 2HE2 GLN 48 1HE2 GLN 48 6.287 8.693 -2.781
205 HA PRO 49 HA PRO 49 6.278 2.881 -7.571
206 1HB PRO 49 2HB PRO 49 8.883 3.836 -8.780
207 2HB PRO 49 1HB PRO 49 7.290 3.616 -9.574
208 1HG PRO 49 1HG PRO 49 8.048 6.076 -8.772
209 2HG PRO 49 2HG PRO 49 6.379 5.511 -8.433
210 1HD PRO 49 1HD PRO 49 8.749 5.615 -6.569
211 2HD PRO 49 2HD PRO 49 7.042 6.052 -6.274
212 H GLY 50 H GLY 50 9.421 2.255 -6.104
213 1HA GLY 50 2HA GLY 50 10.606 0.222 -7.382
214 2HA GLY 50 1HA GLY 50 9.146 -0.614 -6.853
215 H HIS 51 H HIS 51 9.835 1.539 -4.401
216 HA HIS 51 HA HIS 51 12.067 0.407 -3.075
217 1HB HIS 51 1HB HIS 51 11.488 1.803 -1.297
218 2HB HIS 51 2HB HIS 51 10.847 2.662 -2.689
219 HD1 HIS 51 HD1 HIS 51 7.944 1.860 -3.037
220 HD2 HIS 51 HD2 HIS 51 9.912 1.407 0.664
221 HE1 HIS 51 HE1 HIS 51 6.154 1.309 -1.322
222 H PHE 52 H PHE 52 8.735 -0.690 -3.150
223 HA PHE 52 HA PHE 52 8.557 -1.925 -0.631
224 1HB PHE 52 1HB PHE 52 6.650 -3.206 -1.742
225 2HB PHE 52 2HB PHE 52 6.560 -1.461 -1.697
226 HD1 PHE 52 HD1 PHE 52 6.575 -0.114 -3.709
227 HD2 PHE 52 HD2 PHE 52 7.089 -4.395 -3.928
228 HE1 PHE 52 HE1 PHE 52 6.223 -0.030 -6.154
229 HE2 PHE 52 HE2 PHE 52 6.753 -4.299 -6.384
230 HZ PHE 52 HZ PHE 52 6.324 -2.117 -7.505
231 H SER 53 H SER 53 9.571 -3.381 -3.737
232 HA SER 53 HA SER 53 9.961 -6.032 -2.832
233 1HB SER 53 1HB SER 53 11.415 -4.529 -5.043
234 2HB SER 53 2HB SER 53 11.327 -6.292 -4.859
235 HG SER 53 HG SER 53 9.755 -5.524 -6.330
236 H LYS 54 H LYS 54 11.711 -3.376 -1.740
237 HA LYS 54 HA LYS 54 13.905 -5.124 -0.728
238 1HB LYS 54 1HB LYS 54 15.562 -3.404 -1.177
239 2HB LYS 54 2HB LYS 54 14.781 -3.940 -2.660
240 1HG LYS 54 1HG LYS 54 13.407 -1.902 -2.737
241 2HG LYS 54 2HG LYS 54 14.024 -1.391 -1.159
242 1HD LYS 54 1HD LYS 54 15.138 -0.125 -2.861
243 2HD LYS 54 2HD LYS 54 16.313 -1.223 -2.123
244 1HE LYS 54 1HE LYS 54 16.029 -2.793 -4.046
245 2HE LYS 54 2HE LYS 54 14.845 -1.693 -4.764
246 1HZ LYS 54 3HZ LYS 54 16.614 -0.013 -4.921
247 2HZ LYS 54 1HZ LYS 54 17.702 -1.037 -4.258
248 3HZ LYS 54 2HZ LYS 54 17.055 -1.366 -5.717
249 H GLN 55 H GLN 55 11.332 -3.585 0.356
250 HA GLN 55 HA GLN 55 12.587 -3.044 2.968
251 1HB GLN 55 1HB GLN 55 12.753 -0.878 1.700
252 2HB GLN 55 2HB GLN 55 10.994 -0.856 1.557
253 1HG GLN 55 1HG GLN 55 10.857 -0.878 4.090
254 2HG GLN 55 2HG GLN 55 12.619 -0.792 4.144
255 1HE2 GLN 55 1HE2 GLN 55 9.647 0.980 3.488
256 2HE2 GLN 55 2HE2 GLN 55 10.408 2.563 3.374
257 H CYS 56 H CYS 56 9.433 -2.460 1.317
258 HA CYS 56 HA CYS 56 8.062 -3.081 3.832
259 1HB CYS 56 1HB CYS 56 7.092 -1.844 1.223
260 2HB CYS 56 2HB CYS 56 6.165 -1.961 2.726
261 H ARG 57 H ARG 57 8.510 -4.700 0.819
262 HA ARG 57 HA ARG 57 6.557 -6.831 1.558
263 1HB ARG 57 1HB ARG 57 5.982 -4.906 -0.374
264 2HB ARG 57 2HB ARG 57 6.758 -6.136 -1.346
265 1HG ARG 57 1HG ARG 57 4.682 -7.036 -1.467
266 2HG ARG 57 2HG ARG 57 5.009 -7.693 0.132
267 1HD ARG 57 1HD ARG 57 3.486 -5.165 -0.598
268 2HD ARG 57 2HD ARG 57 2.834 -6.630 0.146
269 HE ARG 57 HE ARG 57 4.861 -5.531 1.856
270 1HH1 ARG 57 2HH2 ARG 57 1.659 -4.608 0.793
271 2HH1 ARG 57 1HH2 ARG 57 1.483 -3.478 2.111
272 1HH2 ARG 57 1HH1 ARG 57 4.511 -4.237 3.526
273 2HH2 ARG 57 2HH1 ARG 57 2.953 -3.456 3.762
274 H SER 58 H SER 58 9.672 -6.248 1.074
275 HA SER 58 HA SER 58 10.717 -8.232 -0.666
276 1HB SER 58 1HB SER 58 12.762 -7.990 0.842
277 2HB SER 58 2HB SER 58 12.169 -6.538 0.031
278 HG SER 58 HG SER 58 11.558 -7.269 2.720
No H/Q in entry = 278
Start of MODEL 12
1 H1 GLN 22 H3 GLN 22 -6.960 0.748 -5.686
2 H2 GLN 22 H2 GLN 22 -6.879 0.274 -7.257
3 H3 GLN 22 H1 GLN 22 -7.941 -0.450 -6.220
4 HA GLN 22 HA GLN 22 -6.109 -1.936 -6.573
5 1HB GLN 22 1HB GLN 22 -4.475 0.530 -5.867
6 2HB GLN 22 2HB GLN 22 -3.883 -1.075 -5.474
7 1HG GLN 22 1HG GLN 22 -2.881 -0.569 -7.502
8 2HG GLN 22 2HG GLN 22 -4.116 -1.758 -7.880
9 1HE2 GLN 22 2HE2 GLN 22 -2.917 -0.090 -9.868
10 2HE2 GLN 22 1HE2 GLN 22 -4.169 1.003 -10.450
11 H THR 23 H THR 23 -6.202 -3.447 -4.997
12 HA THR 23 HA THR 23 -7.727 -3.134 -2.772
13 HB THR 23 HB THR 23 -5.501 -5.179 -2.997
14 HG1 THR 23 HG1 THR 23 -7.043 -6.339 -4.216
15 1HG2 THR 23 3HG2 THR 23 -8.321 -5.371 -1.842
16 2HG2 THR 23 1HG2 THR 23 -7.138 -6.689 -1.934
17 3HG2 THR 23 2HG2 THR 23 -6.821 -5.308 -0.881
18 H CYS 24 H CYS 24 -7.610 -2.496 -0.737
19 HA CYS 24 HA CYS 24 -5.620 -0.957 0.392
20 1HB CYS 24 1HB CYS 24 -8.051 -1.333 1.082
21 2HB CYS 24 2HB CYS 24 -7.506 -2.779 1.925
22 H TYR 25 H TYR 25 -3.971 -1.215 1.878
23 HA TYR 25 HA TYR 25 -2.587 -3.734 2.175
24 1HB TYR 25 1HB TYR 25 -1.021 -2.594 3.381
25 2HB TYR 25 2HB TYR 25 -1.624 -1.332 2.331
26 HD1 TYR 25 HD1 TYR 25 -0.451 -1.856 5.494
27 HD2 TYR 25 HD2 TYR 25 -3.933 -0.154 3.590
28 HE1 TYR 25 HE1 TYR 25 -0.880 -0.458 7.507
29 HE2 TYR 25 HE2 TYR 25 -4.382 1.182 5.612
30 HH TYR 25 HH TYR 25 -2.270 1.072 8.503
31 H ASN 26 H ASN 26 -5.367 -2.521 3.796
32 HA ASN 26 HA ASN 26 -5.068 -4.565 5.966
33 1HB ASN 26 1HB ASN 26 -4.282 -2.321 6.715
34 2HB ASN 26 2HB ASN 26 -5.859 -1.641 6.315
35 1HD2 ASN 26 1HD2 ASN 26 -4.189 -3.998 8.434
36 2HD2 ASN 26 2HD2 ASN 26 -5.427 -3.959 9.680
37 H CYS 27 H CYS 27 -7.428 -2.417 4.261
38 HA CYS 27 HA CYS 27 -9.714 -3.643 5.469
39 1HB CYS 27 1HB CYS 27 -9.522 -1.958 2.938
40 2HB CYS 27 2HB CYS 27 -10.980 -2.288 3.871
41 H GLY 28 H GLY 28 -7.755 -4.799 2.875
42 1HA GLY 28 2HA GLY 28 -9.269 -7.126 2.320
43 2HA GLY 28 1HA GLY 28 -7.983 -6.464 1.305
44 H LYS 29 H LYS 29 -9.369 -3.961 0.743
45 HA LYS 29 HA LYS 29 -11.796 -4.791 -0.795
46 1HB LYS 29 1HB LYS 29 -12.214 -3.531 1.274
47 2HB LYS 29 2HB LYS 29 -11.177 -2.237 0.712
48 1HG LYS 29 1HG LYS 29 -13.432 -1.550 0.392
49 2HG LYS 29 2HG LYS 29 -12.774 -1.853 -1.215
50 1HD LYS 29 1HD LYS 29 -13.928 -4.053 -1.283
51 2HD LYS 29 2HD LYS 29 -14.500 -3.808 0.382
52 1HE LYS 29 1HE LYS 29 -15.733 -1.775 -0.352
53 2HE LYS 29 2HE LYS 29 -15.184 -2.037 -2.010
54 1HZ LYS 29 1HZ LYS 29 -16.888 -3.920 -0.463
55 2HZ LYS 29 2HZ LYS 29 -17.410 -2.943 -1.659
56 3HZ LYS 29 3HZ LYS 29 -16.386 -4.164 -1.999
57 HA PRO 30 HA PRO 30 -9.185 -3.666 -4.314
58 1HB PRO 30 2HB PRO 30 -11.903 -3.633 -5.634
59 2HB PRO 30 1HB PRO 30 -10.351 -4.281 -6.259
60 1HG PRO 30 1HG PRO 30 -12.153 -5.959 -5.160
61 2HG PRO 30 2HG PRO 30 -10.419 -6.114 -4.720
62 1HD PRO 30 1HD PRO 30 -12.652 -4.818 -3.158
63 2HD PRO 30 2HD PRO 30 -11.318 -5.867 -2.588
64 H GLY 31 H GLY 31 -12.084 -1.718 -3.623
65 1HA GLY 31 2HA GLY 31 -12.708 0.432 -4.141
66 2HA GLY 31 1HA GLY 31 -11.478 0.450 -5.403
67 H HIS 32 H HIS 32 -9.232 -0.006 -3.542
68 HA HIS 32 HA HIS 32 -9.232 2.474 -1.906
69 1HB HIS 32 1HB HIS 32 -7.843 -0.163 -1.701
70 2HB HIS 32 2HB HIS 32 -6.983 1.259 -1.120
71 HD1 HIS 32 HD1 HIS 32 -10.442 -0.402 -0.553
72 HD2 HIS 32 HD2 HIS 32 -7.541 2.013 1.271
73 HE1 HIS 32 HE1 HIS 32 -11.245 -0.008 1.855
74 H LEU 33 H LEU 33 -7.403 3.723 -1.739
75 HA LEU 33 HA LEU 33 -5.593 4.176 -3.999
76 1HB LEU 33 1HB LEU 33 -7.910 6.032 -3.228
77 2HB LEU 33 2HB LEU 33 -6.552 6.548 -4.214
78 HG LEU 33 HG LEU 33 -8.566 4.416 -5.033
79 1HD1 LEU 33 2HD1 LEU 33 -9.538 6.665 -4.918
80 2HD1 LEU 33 3HD1 LEU 33 -8.217 7.304 -5.921
81 3HD1 LEU 33 1HD1 LEU 33 -9.367 6.127 -6.595
82 1HD2 LEU 33 2HD2 LEU 33 -6.309 5.772 -6.587
83 2HD2 LEU 33 3HD2 LEU 33 -6.366 4.058 -6.117
84 3HD2 LEU 33 1HD2 LEU 33 -7.535 4.688 -7.278
85 H SER 34 H SER 34 -4.306 6.202 -3.485
86 HA SER 34 HA SER 34 -3.084 6.303 -0.993
87 1HB SER 34 1HB SER 34 -3.406 8.520 -3.054
88 2HB SER 34 2HB SER 34 -2.165 8.464 -1.788
89 HG SER 34 HG SER 34 -1.485 7.645 -3.887
90 H SER 35 H SER 35 -6.188 7.616 -1.654
91 HA SER 35 HA SER 35 -6.159 9.241 0.864
92 1HB SER 35 1HB SER 35 -7.917 9.600 -1.586
93 2HB SER 35 2HB SER 35 -7.898 10.626 -0.144
94 HG SER 35 HG SER 35 -5.767 11.233 -0.649
95 H GLN 36 H GLN 36 -7.147 6.276 -0.144
96 HA GLN 36 HA GLN 36 -9.775 6.302 1.273
97 1HB GLN 36 1HB GLN 36 -9.325 5.139 -1.020
98 2HB GLN 36 2HB GLN 36 -8.447 3.944 -0.075
99 1HG GLN 36 1HG GLN 36 -10.581 2.998 -0.228
100 2HG GLN 36 2HG GLN 36 -10.671 3.780 1.340
101 1HE2 GLN 36 2HE2 GLN 36 -11.888 3.725 -1.981
102 2HE2 GLN 36 1HE2 GLN 36 -13.085 4.990 -1.733
103 H CYS 37 H CYS 37 -6.542 4.829 1.365
104 HA CYS 37 HA CYS 37 -6.499 4.905 4.275
105 1HB CYS 37 1HB CYS 37 -6.084 2.323 2.708
106 2HB CYS 37 2HB CYS 37 -5.248 2.600 4.213
107 H ARG 38 H ARG 38 -4.108 4.259 4.930
108 HA ARG 38 HA ARG 38 -2.308 6.161 3.870
109 1HB ARG 38 1HB ARG 38 -1.738 3.607 5.446
110 2HB ARG 38 2HB ARG 38 -0.545 4.832 5.047
111 1HG ARG 38 1HG ARG 38 -0.987 5.579 7.078
112 2HG ARG 38 2HG ARG 38 -2.241 6.496 6.263
113 1HD ARG 38 1HD ARG 38 -2.749 3.764 7.518
114 2HD ARG 38 2HD ARG 38 -2.741 5.228 8.486
115 HE ARG 38 HE ARG 38 -4.557 6.117 6.994
116 1HH1 ARG 38 2HH2 ARG 38 -4.343 2.633 7.568
117 2HH1 ARG 38 1HH2 ARG 38 -6.054 2.440 7.277
118 1HH2 ARG 38 1HH1 ARG 38 -6.725 5.733 6.724
119 2HH2 ARG 38 2HH1 ARG 38 -7.299 4.091 6.677
120 H ALA 39 H ALA 39 -2.670 2.752 2.871
121 HA ALA 39 HA ALA 39 -1.507 3.407 0.300
122 1HB ALA 39 3HB ALA 39 0.568 2.984 1.610
123 2HB ALA 39 1HB ALA 39 -0.086 1.408 2.125
124 3HB ALA 39 2HB ALA 39 0.320 1.691 0.428
125 HA PRO 40 HA PRO 40 -3.676 -0.533 -0.749
126 1HB PRO 40 2HB PRO 40 -2.558 -1.116 -3.151
127 2HB PRO 40 1HB PRO 40 -3.710 0.239 -2.953
128 1HG PRO 40 1HG PRO 40 -0.678 0.371 -2.983
129 2HG PRO 40 2HG PRO 40 -1.836 1.372 -3.914
130 1HD PRO 40 1HD PRO 40 -0.720 2.188 -1.546
131 2HD PRO 40 2HD PRO 40 -2.374 2.662 -2.028
132 H LYS 41 H LYS 41 -2.919 -2.816 -1.193
133 HA LYS 41 HA LYS 41 -0.996 -3.658 0.694
134 1HB LYS 41 1HB LYS 41 -1.445 -5.896 -0.042
135 2HB LYS 41 2HB LYS 41 -2.945 -4.980 -0.021
136 1HG LYS 41 1HG LYS 41 -2.846 -4.723 -2.491
137 2HG LYS 41 2HG LYS 41 -1.308 -5.608 -2.522
138 1HD LYS 41 1HD LYS 41 -2.429 -7.591 -1.529
139 2HD LYS 41 2HD LYS 41 -3.976 -6.718 -1.538
140 1HE LYS 41 1HE LYS 41 -3.860 -6.513 -4.002
141 2HE LYS 41 2HE LYS 41 -2.278 -7.301 -4.010
142 1HZ LYS 41 1HZ LYS 41 -4.796 -8.600 -3.101
143 2HZ LYS 41 2HZ LYS 41 -4.059 -8.874 -4.530
144 3HZ LYS 41 3HZ LYS 41 -3.328 -9.313 -3.142
145 H VAL 42 H VAL 42 -0.136 -2.387 -2.219
146 HA VAL 42 HA VAL 42 2.366 -3.684 -2.807
147 HB VAL 42 HB VAL 42 1.562 -0.747 -3.004
148 1HG1 VAL 42 1HG1 VAL 42 3.778 -2.290 -4.405
149 2HG1 VAL 42 2HG1 VAL 42 3.279 -0.631 -4.802
150 3HG1 VAL 42 3HG1 VAL 42 3.986 -0.975 -3.225
151 1HG2 VAL 42 1HG2 VAL 42 1.385 -2.981 -5.074
152 2HG2 VAL 42 2HG2 VAL 42 0.010 -2.143 -4.320
153 3HG2 VAL 42 3HG2 VAL 42 1.091 -1.259 -5.393
154 H CYS 43 H CYS 43 1.351 -1.425 -0.259
155 HA CYS 43 HA CYS 43 3.983 -1.568 1.101
156 1HB CYS 43 1HB CYS 43 3.946 0.253 -0.655
157 2HB CYS 43 2HB CYS 43 2.636 1.031 0.242
158 H PHE 44 H PHE 44 3.361 0.574 2.797
159 HA PHE 44 HA PHE 44 0.737 0.072 4.085
160 1HB PHE 44 1HB PHE 44 1.582 -0.154 6.256
161 2HB PHE 44 2HB PHE 44 2.562 -1.241 5.293
162 HD1 PHE 44 HD1 PHE 44 2.526 1.653 7.491
163 HD2 PHE 44 HD2 PHE 44 4.946 -0.481 4.624
164 HE1 PHE 44 HE1 PHE 44 4.546 2.837 8.314
165 HE2 PHE 44 HE2 PHE 44 6.961 0.708 5.452
166 HZ PHE 44 HZ PHE 44 6.766 2.371 7.291
167 H LYS 45 H LYS 45 3.277 2.303 3.186
168 HA LYS 45 HA LYS 45 1.526 4.589 3.758
169 1HB LYS 45 1HB LYS 45 2.673 4.133 5.945
170 2HB LYS 45 2HB LYS 45 4.233 4.391 5.164
171 1HG LYS 45 1HG LYS 45 3.578 6.736 4.646
172 2HG LYS 45 2HG LYS 45 1.978 6.444 5.364
173 1HD LYS 45 1HD LYS 45 3.066 5.959 7.553
174 2HD LYS 45 2HD LYS 45 4.656 6.276 6.824
175 1HE LYS 45 1HE LYS 45 3.935 8.593 6.277
176 2HE LYS 45 2HE LYS 45 2.353 8.275 6.998
177 1HZ LYS 45 3HZ LYS 45 3.476 7.913 9.136
178 2HZ LYS 45 1HZ LYS 45 4.937 8.214 8.468
179 3HZ LYS 45 2HZ LYS 45 3.823 9.400 8.567
180 H CYS 46 H CYS 46 4.998 3.900 2.963
181 HA CYS 46 HA CYS 46 5.264 6.349 1.551
182 1HB CYS 46 1HB CYS 46 7.533 5.166 0.916
183 2HB CYS 46 2HB CYS 46 7.194 5.763 2.536
184 H LYS 47 H LYS 47 4.560 3.130 0.342
185 HA LYS 47 HA LYS 47 4.076 2.314 -1.751
186 1HB LYS 47 1HB LYS 47 1.980 3.257 -2.510
187 2HB LYS 47 2HB LYS 47 2.074 3.151 -0.758
188 1HG LYS 47 1HG LYS 47 2.608 5.587 -0.646
189 2HG LYS 47 2HG LYS 47 2.430 5.701 -2.398
190 1HD LYS 47 1HD LYS 47 0.093 5.151 -2.272
191 2HD LYS 47 2HD LYS 47 0.212 4.663 -0.574
192 1HE LYS 47 1HE LYS 47 0.839 7.487 -1.520
193 2HE LYS 47 2HE LYS 47 -0.787 6.974 -1.061
194 1HZ LYS 47 3HZ LYS 47 1.540 6.772 0.780
195 2HZ LYS 47 1HZ LYS 47 0.434 7.988 0.811
196 3HZ LYS 47 2HZ LYS 47 -0.004 6.443 1.139
197 H GLN 48 H GLN 48 6.463 4.016 -2.152
198 HA GLN 48 HA GLN 48 6.197 5.326 -4.682
199 1HB GLN 48 1HB GLN 48 8.677 4.158 -3.350
200 2HB GLN 48 2HB GLN 48 8.692 5.249 -4.729
201 1HG GLN 48 1HG GLN 48 7.731 5.897 -1.913
202 2HG GLN 48 2HG GLN 48 9.184 6.480 -2.698
203 1HE2 GLN 48 2HE2 GLN 48 5.846 7.141 -2.157
204 2HE2 GLN 48 1HE2 GLN 48 5.729 8.497 -3.285
205 HA PRO 49 HA PRO 49 5.715 2.445 -7.750
206 1HB PRO 49 2HB PRO 49 8.213 3.433 -9.143
207 2HB PRO 49 1HB PRO 49 6.596 3.102 -9.841
208 1HG PRO 49 1HG PRO 49 7.284 5.631 -9.213
209 2HG PRO 49 2HG PRO 49 5.659 5.019 -8.761
210 1HD PRO 49 1HD PRO 49 8.105 5.336 -7.025
211 2HD PRO 49 2HD PRO 49 6.392 5.704 -6.671
212 H GLY 50 H GLY 50 8.977 2.044 -6.457
213 1HA GLY 50 2HA GLY 50 10.159 -0.008 -7.704
214 2HA GLY 50 1HA GLY 50 8.793 -0.879 -7.008
215 H HIS 51 H HIS 51 9.470 1.393 -4.710
216 HA HIS 51 HA HIS 51 11.901 0.515 -3.526
217 1HB HIS 51 1HB HIS 51 11.336 1.945 -1.760
218 2HB HIS 51 2HB HIS 51 10.562 2.692 -3.148
219 HD1 HIS 51 HD1 HIS 51 7.693 1.727 -3.271
220 HD2 HIS 51 HD2 HIS 51 9.896 1.609 0.324
221 HE1 HIS 51 HE1 HIS 51 6.032 1.250 -1.416
222 H PHE 52 H PHE 52 8.660 -0.773 -3.255
223 HA PHE 52 HA PHE 52 8.676 -1.714 -0.640
224 1HB PHE 52 1HB PHE 52 6.754 -3.154 -1.433
225 2HB PHE 52 2HB PHE 52 6.625 -1.434 -1.710
226 HD1 PHE 52 HD1 PHE 52 6.569 -0.484 -3.953
227 HD2 PHE 52 HD2 PHE 52 7.099 -4.726 -3.363
228 HE1 PHE 52 HE1 PHE 52 6.122 -0.875 -6.353
229 HE2 PHE 52 HE2 PHE 52 6.666 -5.107 -5.775
230 HZ PHE 52 HZ PHE 52 6.182 -3.182 -7.278
231 H SER 53 H SER 53 9.636 -3.551 -3.559
232 HA SER 53 HA SER 53 10.130 -6.044 -2.333
233 1HB SER 53 1HB SER 53 11.593 -4.807 -4.694
234 2HB SER 53 2HB SER 53 11.466 -6.536 -4.314
235 HG SER 53 HG SER 53 9.936 -5.893 -5.894
236 H LYS 54 H LYS 54 11.796 -3.205 -1.617
237 HA LYS 54 HA LYS 54 14.205 -4.674 -0.618
238 1HB LYS 54 1HB LYS 54 14.200 -1.805 -1.642
239 2HB LYS 54 2HB LYS 54 15.574 -2.777 -1.140
240 1HG LYS 54 1HG LYS 54 15.872 -3.065 -3.348
241 2HG LYS 54 2HG LYS 54 14.713 -4.375 -3.142
242 1HD LYS 54 1HD LYS 54 12.877 -2.704 -3.800
243 2HD LYS 54 2HD LYS 54 14.164 -1.523 -4.102
244 1HE LYS 54 1HE LYS 54 15.192 -3.172 -5.731
245 2HE LYS 54 2HE LYS 54 13.787 -4.216 -5.486
246 1HZ LYS 54 2HZ LYS 54 12.408 -2.258 -6.235
247 2HZ LYS 54 3HZ LYS 54 13.782 -1.486 -6.646
248 3HZ LYS 54 1HZ LYS 54 13.382 -2.870 -7.411
249 H GLN 55 H GLN 55 11.480 -3.330 0.526
250 HA GLN 55 HA GLN 55 12.724 -2.698 3.113
251 1HB GLN 55 1HB GLN 55 12.804 -0.529 1.874
252 2HB GLN 55 2HB GLN 55 11.055 -0.588 1.672
253 1HG GLN 55 1HG GLN 55 10.823 -0.587 4.194
254 2HG GLN 55 2HG GLN 55 12.579 -0.446 4.315
255 1HE2 GLN 55 1HE2 GLN 55 9.587 1.214 3.387
256 2HE2 GLN 55 2HE2 GLN 55 10.298 2.824 3.329
257 H CYS 56 H CYS 56 9.536 -2.136 1.538
258 HA CYS 56 HA CYS 56 8.199 -2.790 4.017
259 1HB CYS 56 1HB CYS 56 7.139 -1.864 1.312
260 2HB CYS 56 2HB CYS 56 6.245 -1.868 2.842
261 H ARG 57 H ARG 57 8.797 -4.582 1.136
262 HA ARG 57 HA ARG 57 6.902 -6.752 1.905
263 1HB ARG 57 1HB ARG 57 6.273 -4.875 -0.040
264 2HB ARG 57 2HB ARG 57 7.113 -6.060 -1.009
265 1HG ARG 57 1HG ARG 57 5.087 -7.068 -1.153
266 2HG ARG 57 2HG ARG 57 5.415 -7.695 0.457
267 1HD ARG 57 1HD ARG 57 3.784 -5.252 -0.330
268 2HD ARG 57 2HD ARG 57 3.199 -6.732 0.443
269 HE ARG 57 HE ARG 57 5.151 -5.509 2.146
270 1HH1 ARG 57 2HH1 ARG 57 1.917 -4.756 1.038
271 2HH1 ARG 57 1HH1 ARG 57 1.691 -3.582 2.312
272 1HH2 ARG 57 1HH2 ARG 57 4.740 -4.176 3.769
273 2HH2 ARG 57 2HH2 ARG 57 3.153 -3.447 3.969
274 H SER 58 H SER 58 9.938 -6.272 1.772
275 HA SER 58 HA SER 58 11.341 -7.765 -0.062
276 1HB SER 58 1HB SER 58 11.873 -7.678 2.925
277 2HB SER 58 2HB SER 58 13.051 -8.016 1.642
278 HG SER 58 HG SER 58 13.080 -5.802 2.342
No H/Q in entry = 278
Start of MODEL 13
1 H1 GLN 22 H1 GLN 22 -6.979 0.681 -5.707
2 H2 GLN 22 H3 GLN 22 -7.045 0.164 -7.270
3 H3 GLN 22 H2 GLN 22 -8.085 -0.439 -6.149
4 HA GLN 22 HA GLN 22 -6.431 -2.070 -6.595
5 1HB GLN 22 1HB GLN 22 -4.663 -0.500 -7.345
6 2HB GLN 22 2HB GLN 22 -4.461 0.076 -5.692
7 1HG GLN 22 1HG GLN 22 -2.682 -1.468 -6.280
8 2HG GLN 22 2HG GLN 22 -3.653 -2.164 -4.993
9 1HE2 GLN 22 1HE2 GLN 22 -2.124 -2.980 -7.866
10 2HE2 GLN 22 2HE2 GLN 22 -3.139 -4.357 -8.281
11 H THR 23 H THR 23 -6.263 -3.587 -4.982
12 HA THR 23 HA THR 23 -7.761 -3.270 -2.710
13 HB THR 23 HB THR 23 -5.501 -5.271 -3.011
14 HG1 THR 23 HG1 THR 23 -7.045 -6.484 -4.109
15 1HG2 THR 23 3HG2 THR 23 -8.204 -5.418 -1.594
16 2HG2 THR 23 1HG2 THR 23 -7.080 -6.778 -1.799
17 3HG2 THR 23 2HG2 THR 23 -6.609 -5.400 -0.801
18 H CYS 24 H CYS 24 -7.581 -2.679 -0.663
19 HA CYS 24 HA CYS 24 -5.625 -0.997 0.352
20 1HB CYS 24 1HB CYS 24 -8.016 -1.455 1.111
21 2HB CYS 24 2HB CYS 24 -7.400 -2.876 1.948
22 H TYR 25 H TYR 25 -3.976 -1.169 1.901
23 HA TYR 25 HA TYR 25 -2.460 -3.620 2.192
24 1HB TYR 25 1HB TYR 25 -0.969 -2.420 3.421
25 2HB TYR 25 2HB TYR 25 -1.603 -1.183 2.363
26 HD1 TYR 25 HD1 TYR 25 -0.511 -1.748 5.573
27 HD2 TYR 25 HD2 TYR 25 -3.919 -0.019 3.565
28 HE1 TYR 25 HE1 TYR 25 -0.998 -0.364 7.579
29 HE2 TYR 25 HE2 TYR 25 -4.429 1.311 5.592
30 HH TYR 25 HH TYR 25 -2.421 1.158 8.541
31 H ASN 26 H ASN 26 -5.288 -2.511 3.757
32 HA ASN 26 HA ASN 26 -4.920 -4.371 6.093
33 1HB ASN 26 1HB ASN 26 -4.410 -2.092 6.760
34 2HB ASN 26 2HB ASN 26 -5.853 -1.465 5.970
35 1HD2 ASN 26 2HD2 ASN 26 -7.901 -1.648 7.031
36 2HD2 ASN 26 1HD2 ASN 26 -7.985 -2.194 8.698
37 H CYS 27 H CYS 27 -7.378 -2.473 4.269
38 HA CYS 27 HA CYS 27 -9.556 -3.747 5.605
39 1HB CYS 27 1HB CYS 27 -9.542 -1.947 3.148
40 2HB CYS 27 2HB CYS 27 -10.897 -2.235 4.246
41 H GLY 28 H GLY 28 -7.867 -4.679 2.736
42 1HA GLY 28 2HA GLY 28 -9.494 -6.974 2.209
43 2HA GLY 28 1HA GLY 28 -8.168 -6.372 1.217
44 H LYS 29 H LYS 29 -10.171 -3.776 1.256
45 HA LYS 29 HA LYS 29 -12.168 -4.620 -0.765
46 1HB LYS 29 1HB LYS 29 -11.605 -2.132 0.824
47 2HB LYS 29 2HB LYS 29 -12.436 -1.964 -0.713
48 1HG LYS 29 1HG LYS 29 -14.048 -2.020 0.994
49 2HG LYS 29 2HG LYS 29 -14.230 -3.477 0.029
50 1HD LYS 29 1HD LYS 29 -12.643 -3.505 2.623
51 2HD LYS 29 2HD LYS 29 -14.407 -3.555 2.646
52 1HE LYS 29 1HE LYS 29 -14.461 -5.583 1.300
53 2HE LYS 29 2HE LYS 29 -12.705 -5.558 1.112
54 1HZ LYS 29 2HZ LYS 29 -14.116 -5.864 3.706
55 2HZ LYS 29 3HZ LYS 29 -13.367 -7.067 2.891
56 3HZ LYS 29 1HZ LYS 29 -12.488 -5.829 3.509
57 HA PRO 30 HA PRO 30 -9.275 -3.801 -4.190
58 1HB PRO 30 2HB PRO 30 -11.915 -3.717 -5.647
59 2HB PRO 30 1HB PRO 30 -10.376 -4.493 -6.136
60 1HG PRO 30 1HG PRO 30 -12.366 -5.989 -5.087
61 2HG PRO 30 2HG PRO 30 -10.674 -6.250 -4.540
62 1HD PRO 30 1HD PRO 30 -12.876 -4.690 -3.168
63 2HD PRO 30 2HD PRO 30 -11.701 -5.854 -2.480
64 H GLY 31 H GLY 31 -12.152 -1.817 -3.558
65 1HA GLY 31 2HA GLY 31 -12.763 0.329 -4.109
66 2HA GLY 31 1HA GLY 31 -11.507 0.341 -5.346
67 H HIS 32 H HIS 32 -9.287 -0.113 -3.472
68 HA HIS 32 HA HIS 32 -9.305 2.361 -1.826
69 1HB HIS 32 1HB HIS 32 -7.874 -0.254 -1.640
70 2HB HIS 32 2HB HIS 32 -7.023 1.182 -1.079
71 HD1 HIS 32 HD1 HIS 32 -10.457 -0.511 -0.449
72 HD2 HIS 32 HD2 HIS 32 -7.552 1.936 1.321
73 HE1 HIS 32 HE1 HIS 32 -11.224 -0.115 1.973
74 H LEU 33 H LEU 33 -7.494 3.639 -1.683
75 HA LEU 33 HA LEU 33 -5.736 4.138 -3.977
76 1HB LEU 33 1HB LEU 33 -8.034 5.976 -3.111
77 2HB LEU 33 2HB LEU 33 -6.717 6.493 -4.150
78 HG LEU 33 HG LEU 33 -8.760 4.359 -4.891
79 1HD1 LEU 33 1HD1 LEU 33 -9.738 6.603 -4.722
80 2HD1 LEU 33 2HD1 LEU 33 -8.468 7.252 -5.784
81 3HD1 LEU 33 3HD1 LEU 33 -9.642 6.070 -6.407
82 1HD2 LEU 33 2HD2 LEU 33 -6.590 5.740 -6.542
83 2HD2 LEU 33 3HD2 LEU 33 -6.602 4.026 -6.069
84 3HD2 LEU 33 1HD2 LEU 33 -7.832 4.639 -7.176
85 H SER 34 H SER 34 -4.411 6.124 -3.456
86 HA SER 34 HA SER 34 -3.217 6.231 -0.933
87 1HB SER 34 1HB SER 34 -3.452 8.421 -3.036
88 2HB SER 34 2HB SER 34 -2.238 8.356 -1.745
89 HG SER 34 HG SER 34 -1.551 7.498 -3.835
90 H SER 35 H SER 35 -6.283 7.598 -1.716
91 HA SER 35 HA SER 35 -6.307 9.348 0.701
92 1HB SER 35 1HB SER 35 -8.275 10.388 -0.399
93 2HB SER 35 2HB SER 35 -6.795 10.506 -1.368
94 HG SER 35 HG SER 35 -8.622 9.829 -2.613
95 H GLN 36 H GLN 36 -7.345 6.271 -0.303
96 HA GLN 36 HA GLN 36 -9.820 6.230 1.330
97 1HB GLN 36 1HB GLN 36 -9.400 5.022 -0.966
98 2HB GLN 36 2HB GLN 36 -8.486 3.866 -0.006
99 1HG GLN 36 1HG GLN 36 -10.612 2.895 -0.098
100 2HG GLN 36 2HG GLN 36 -10.673 3.707 1.458
101 1HE2 GLN 36 2HE2 GLN 36 -11.952 3.592 -1.847
102 2HE2 GLN 36 1HE2 GLN 36 -13.163 4.841 -1.587
103 H CYS 37 H CYS 37 -6.528 4.901 1.300
104 HA CYS 37 HA CYS 37 -6.364 4.901 4.223
105 1HB CYS 37 1HB CYS 37 -5.956 2.395 2.534
106 2HB CYS 37 2HB CYS 37 -5.063 2.634 4.010
107 H ARG 38 H ARG 38 -3.999 4.386 4.801
108 HA ARG 38 HA ARG 38 -2.210 6.255 3.636
109 1HB ARG 38 1HB ARG 38 -1.733 3.814 5.390
110 2HB ARG 38 2HB ARG 38 -0.472 4.973 4.977
111 1HG ARG 38 1HG ARG 38 -1.136 6.472 6.482
112 2HG ARG 38 2HG ARG 38 -2.815 6.408 5.978
113 1HD ARG 38 1HD ARG 38 -1.476 4.399 7.839
114 2HD ARG 38 2HD ARG 38 -2.432 5.772 8.381
115 HE ARG 38 HE ARG 38 -3.407 3.225 7.443
116 1HH1 ARG 38 2HH1 ARG 38 -4.394 6.591 7.670
117 2HH1 ARG 38 1HH1 ARG 38 -6.083 6.187 7.561
118 1HH2 ARG 38 1HH2 ARG 38 -5.563 2.804 7.266
119 2HH2 ARG 38 2HH2 ARG 38 -6.717 4.100 7.272
120 H ALA 39 H ALA 39 -2.612 2.820 2.775
121 HA ALA 39 HA ALA 39 -1.414 3.385 0.202
122 1HB ALA 39 2HB ALA 39 0.645 2.941 1.527
123 2HB ALA 39 3HB ALA 39 -0.046 1.387 2.063
124 3HB ALA 39 1HB ALA 39 0.372 1.638 0.364
125 HA PRO 40 HA PRO 40 -3.662 -0.527 -0.773
126 1HB PRO 40 2HB PRO 40 -2.553 -1.165 -3.169
127 2HB PRO 40 1HB PRO 40 -3.687 0.207 -2.987
128 1HG PRO 40 1HG PRO 40 -0.654 0.284 -3.036
129 2HG PRO 40 2HG PRO 40 -1.799 1.299 -3.967
130 1HD PRO 40 1HD PRO 40 -0.647 2.115 -1.617
131 2HD PRO 40 2HD PRO 40 -2.293 2.619 -2.092
132 H LYS 41 H LYS 41 -2.931 -2.817 -1.332
133 HA LYS 41 HA LYS 41 -1.139 -3.872 0.541
134 1HB LYS 41 1HB LYS 41 -3.022 -4.845 -1.321
135 2HB LYS 41 2HB LYS 41 -1.535 -5.636 -1.791
136 1HG LYS 41 1HG LYS 41 -2.806 -5.676 0.984
137 2HG LYS 41 2HG LYS 41 -2.902 -6.953 -0.227
138 1HD LYS 41 1HD LYS 41 -0.408 -7.231 -0.076
139 2HD LYS 41 2HD LYS 41 -0.395 -6.035 1.244
140 1HE LYS 41 1HE LYS 41 -1.983 -7.444 2.535
141 2HE LYS 41 2HE LYS 41 -1.979 -8.641 1.233
142 1HZ LYS 41 3HZ LYS 41 0.408 -8.966 1.630
143 2HZ LYS 41 1HZ LYS 41 0.398 -7.867 2.845
144 3HZ LYS 41 2HZ LYS 41 -0.434 -9.260 2.993
145 H VAL 42 H VAL 42 -0.140 -2.402 -2.304
146 HA VAL 42 HA VAL 42 2.384 -3.646 -2.850
147 HB VAL 42 HB VAL 42 1.553 -0.715 -2.985
148 1HG1 VAL 42 2HG1 VAL 42 3.835 -2.179 -4.366
149 2HG1 VAL 42 3HG1 VAL 42 3.314 -0.519 -4.731
150 3HG1 VAL 42 1HG1 VAL 42 3.987 -0.893 -3.145
151 1HG2 VAL 42 2HG2 VAL 42 1.479 -2.892 -5.123
152 2HG2 VAL 42 3HG2 VAL 42 0.066 -2.110 -4.380
153 3HG2 VAL 42 1HG2 VAL 42 1.152 -1.167 -5.397
154 H CYS 43 H CYS 43 1.341 -1.432 -0.266
155 HA CYS 43 HA CYS 43 3.971 -1.585 1.100
156 1HB CYS 43 1HB CYS 43 3.959 0.232 -0.656
157 2HB CYS 43 2HB CYS 43 2.650 1.023 0.228
158 H PHE 44 H PHE 44 3.294 0.628 2.749
159 HA PHE 44 HA PHE 44 0.695 0.086 4.056
160 1HB PHE 44 1HB PHE 44 1.540 -0.114 6.230
161 2HB PHE 44 2HB PHE 44 2.534 -1.199 5.275
162 HD1 PHE 44 HD1 PHE 44 2.465 1.707 7.456
163 HD2 PHE 44 HD2 PHE 44 4.908 -0.413 4.597
164 HE1 PHE 44 HE1 PHE 44 4.471 2.924 8.266
165 HE2 PHE 44 HE2 PHE 44 6.909 0.812 5.412
166 HZ PHE 44 HZ PHE 44 6.696 2.483 7.239
167 H LYS 45 H LYS 45 3.268 2.326 3.221
168 HA LYS 45 HA LYS 45 1.494 4.618 3.709
169 1HB LYS 45 1HB LYS 45 2.552 4.175 5.936
170 2HB LYS 45 2HB LYS 45 4.146 4.397 5.210
171 1HG LYS 45 1HG LYS 45 3.546 6.752 4.650
172 2HG LYS 45 2HG LYS 45 1.928 6.496 5.336
173 1HD LYS 45 1HD LYS 45 2.958 6.007 7.550
174 2HD LYS 45 2HD LYS 45 4.571 6.269 6.852
175 1HE LYS 45 1HE LYS 45 3.925 8.603 6.265
176 2HE LYS 45 2HE LYS 45 2.328 8.338 6.977
177 1HZ LYS 45 1HZ LYS 45 3.425 7.962 9.127
178 2HZ LYS 45 2HZ LYS 45 4.899 8.213 8.465
179 3HZ LYS 45 3HZ LYS 45 3.821 9.434 8.546
180 H CYS 46 H CYS 46 4.976 3.881 3.018
181 HA CYS 46 HA CYS 46 5.335 6.331 1.633
182 1HB CYS 46 1HB CYS 46 7.585 5.078 1.035
183 2HB CYS 46 2HB CYS 46 7.231 5.698 2.643
184 H LYS 47 H LYS 47 4.609 3.131 0.370
185 HA LYS 47 HA LYS 47 4.161 2.346 -1.741
186 1HB LYS 47 1HB LYS 47 2.093 3.315 -2.536
187 2HB LYS 47 2HB LYS 47 2.144 3.200 -0.783
188 1HG LYS 47 1HG LYS 47 2.699 5.625 -0.642
189 2HG LYS 47 2HG LYS 47 2.578 5.754 -2.397
190 1HD LYS 47 1HD LYS 47 0.232 5.233 -2.350
191 2HD LYS 47 2HD LYS 47 0.289 4.738 -0.652
192 1HE LYS 47 1HE LYS 47 0.972 7.558 -1.579
193 2HE LYS 47 2HE LYS 47 -0.666 7.059 -1.143
194 1HZ LYS 47 2HZ LYS 47 1.639 6.845 0.727
195 2HZ LYS 47 3HZ LYS 47 0.527 8.057 0.752
196 3HZ LYS 47 1HZ LYS 47 0.094 6.504 1.065
197 H GLN 48 H GLN 48 6.571 4.053 -2.069
198 HA GLN 48 HA GLN 48 6.372 5.394 -4.585
199 1HB GLN 48 1HB GLN 48 8.814 4.186 -3.221
200 2HB GLN 48 2HB GLN 48 8.865 5.303 -4.576
201 1HG GLN 48 1HG GLN 48 7.847 5.902 -1.770
202 2HG GLN 48 2HG GLN 48 9.326 6.485 -2.511
203 1HE2 GLN 48 2HE2 GLN 48 5.986 7.177 -2.030
204 2HE2 GLN 48 1HE2 GLN 48 5.910 8.555 -3.133
205 HA PRO 49 HA PRO 49 5.955 2.558 -7.709
206 1HB PRO 49 2HB PRO 49 8.486 3.556 -9.034
207 2HB PRO 49 1HB PRO 49 6.879 3.249 -9.768
208 1HG PRO 49 1HG PRO 49 7.573 5.762 -9.084
209 2HG PRO 49 2HG PRO 49 5.935 5.155 -8.672
210 1HD PRO 49 1HD PRO 49 8.355 5.415 -6.888
211 2HD PRO 49 2HD PRO 49 6.642 5.802 -6.558
212 H GLY 50 H GLY 50 9.155 2.100 -6.309
213 1HA GLY 50 2HA GLY 50 10.383 0.066 -7.543
214 2HA GLY 50 1HA GLY 50 8.969 -0.803 -6.948
215 H HIS 51 H HIS 51 9.668 1.482 -4.603
216 HA HIS 51 HA HIS 51 11.976 0.490 -3.313
217 1HB HIS 51 1HB HIS 51 11.397 1.927 -1.564
218 2HB HIS 51 2HB HIS 51 10.682 2.705 -2.968
219 HD1 HIS 51 HD1 HIS 51 7.800 1.774 -3.186
220 HD2 HIS 51 HD2 HIS 51 9.897 1.604 0.469
221 HE1 HIS 51 HE1 HIS 51 6.084 1.278 -1.382
222 H PHE 52 H PHE 52 8.693 -0.725 -3.196
223 HA PHE 52 HA PHE 52 8.611 -1.782 -0.611
224 1HB PHE 52 1HB PHE 52 6.720 -3.198 -1.569
225 2HB PHE 52 2HB PHE 52 6.585 -1.458 -1.682
226 HD1 PHE 52 HD1 PHE 52 6.538 -0.301 -3.810
227 HD2 PHE 52 HD2 PHE 52 7.154 -4.570 -3.647
228 HE1 PHE 52 HE1 PHE 52 6.149 -0.451 -6.246
229 HE2 PHE 52 HE2 PHE 52 6.786 -4.708 -6.095
230 HZ PHE 52 HZ PHE 52 6.288 -2.650 -7.404
231 H SER 53 H SER 53 9.591 -3.479 -3.610
232 HA SER 53 HA SER 53 10.090 -6.028 -2.502
233 1HB SER 53 1HB SER 53 11.507 -4.648 -4.815
234 2HB SER 53 2HB SER 53 11.468 -6.395 -4.500
235 HG SER 53 HG SER 53 9.888 -5.764 -6.039
236 H LYS 54 H LYS 54 11.748 -3.215 -1.679
237 HA LYS 54 HA LYS 54 14.186 -4.684 -0.741
238 1HB LYS 54 1HB LYS 54 14.011 -1.813 -1.747
239 2HB LYS 54 2HB LYS 54 15.470 -2.650 -1.239
240 1HG LYS 54 1HG LYS 54 13.800 -3.346 -3.695
241 2HG LYS 54 2HG LYS 54 15.294 -2.419 -3.685
242 1HD LYS 54 1HD LYS 54 16.570 -4.345 -2.883
243 2HD LYS 54 2HD LYS 54 15.092 -5.316 -2.749
244 1HE LYS 54 1HE LYS 54 14.688 -5.024 -5.191
245 2HE LYS 54 2HE LYS 54 16.200 -4.115 -5.322
246 1HZ LYS 54 2HZ LYS 54 15.985 -6.949 -4.444
247 2HZ LYS 54 3HZ LYS 54 16.510 -6.455 -5.907
248 3HZ LYS 54 1HZ LYS 54 17.384 -6.114 -4.572
249 H GLN 55 H GLN 55 11.441 -3.324 0.456
250 HA GLN 55 HA GLN 55 12.726 -2.686 3.040
251 1HB GLN 55 1HB GLN 55 12.782 -0.556 1.711
252 2HB GLN 55 2HB GLN 55 11.023 -0.616 1.583
253 1HG GLN 55 1HG GLN 55 10.907 -0.548 4.118
254 2HG GLN 55 2HG GLN 55 12.664 -0.380 4.149
255 1HE2 GLN 55 1HE2 GLN 55 9.603 1.211 3.382
256 2HE2 GLN 55 2HE2 GLN 55 10.282 2.828 3.225
257 H CYS 56 H CYS 56 9.533 -2.362 1.395
258 HA CYS 56 HA CYS 56 8.197 -2.883 3.956
259 1HB CYS 56 1HB CYS 56 7.156 -1.860 1.283
260 2HB CYS 56 2HB CYS 56 6.256 -1.906 2.805
261 H ARG 57 H ARG 57 8.708 -4.598 1.012
262 HA ARG 57 HA ARG 57 6.890 -6.817 1.833
263 1HB ARG 57 1HB ARG 57 6.265 -4.995 -0.208
264 2HB ARG 57 2HB ARG 57 7.077 -6.262 -1.096
265 1HG ARG 57 1HG ARG 57 5.026 -7.215 -1.175
266 2HG ARG 57 2HG ARG 57 5.363 -7.774 0.458
267 1HD ARG 57 1HD ARG 57 3.787 -5.316 -0.406
268 2HD ARG 57 2HD ARG 57 3.155 -6.764 0.387
269 HE ARG 57 HE ARG 57 5.135 -5.558 2.078
270 1HH1 ARG 57 2HH1 ARG 57 1.926 -4.741 0.940
271 2HH1 ARG 57 1HH1 ARG 57 1.698 -3.592 2.235
272 1HH2 ARG 57 2HH2 ARG 57 4.724 -4.225 3.707
273 2HH2 ARG 57 1HH2 ARG 57 3.144 -3.477 3.892
274 H SER 58 H SER 58 9.962 -6.060 1.382
275 HA SER 58 HA SER 58 11.177 -8.011 -0.285
276 1HB SER 58 1HB SER 58 13.165 -7.596 1.257
277 2HB SER 58 2HB SER 58 12.496 -6.200 0.408
278 HG SER 58 HG SER 58 11.869 -6.927 3.095
No H/Q in entry = 278
Start of MODEL 14
1 H1 GLN 22 H2 GLN 22 -8.105 -0.040 -7.089
2 H2 GLN 22 H1 GLN 22 -7.258 1.052 -6.207
3 H3 GLN 22 H3 GLN 22 -6.802 0.701 -7.752
4 HA GLN 22 HA GLN 22 -6.220 -1.537 -7.149
5 1HB GLN 22 1HB GLN 22 -4.935 0.471 -5.240
6 2HB GLN 22 2HB GLN 22 -4.293 -1.110 -5.689
7 1HG GLN 22 1HG GLN 22 -4.132 -0.353 -8.073
8 2HG GLN 22 2HG GLN 22 -4.659 1.258 -7.562
9 1HE2 GLN 22 1HE2 GLN 22 -2.752 2.452 -7.939
10 2HE2 GLN 22 2HE2 GLN 22 -1.235 2.057 -7.143
11 H THR 23 H THR 23 -5.265 -2.300 -4.561
12 HA THR 23 HA THR 23 -7.806 -2.801 -3.053
13 HB THR 23 HB THR 23 -5.532 -4.720 -3.687
14 HG1 THR 23 HG1 THR 23 -7.099 -5.748 -4.919
15 1HG2 THR 23 3HG2 THR 23 -8.151 -5.268 -2.223
16 2HG2 THR 23 1HG2 THR 23 -6.949 -6.476 -2.707
17 3HG2 THR 23 2HG2 THR 23 -6.531 -5.277 -1.485
18 H CYS 24 H CYS 24 -7.641 -2.825 -0.819
19 HA CYS 24 HA CYS 24 -5.790 -1.047 0.310
20 1HB CYS 24 1HB CYS 24 -8.166 -1.696 1.031
21 2HB CYS 24 2HB CYS 24 -7.441 -3.100 1.818
22 H TYR 25 H TYR 25 -4.145 -1.219 1.805
23 HA TYR 25 HA TYR 25 -2.506 -3.607 1.958
24 1HB TYR 25 1HB TYR 25 -1.039 -2.387 3.202
25 2HB TYR 25 2HB TYR 25 -1.729 -1.161 2.161
26 HD1 TYR 25 HD1 TYR 25 -0.619 -1.788 5.378
27 HD2 TYR 25 HD2 TYR 25 -4.008 -0.012 3.375
28 HE1 TYR 25 HE1 TYR 25 -1.133 -0.456 7.414
29 HE2 TYR 25 HE2 TYR 25 -4.538 1.274 5.426
30 HH TYR 25 HH TYR 25 -2.572 1.025 8.403
31 H ASN 26 H ASN 26 -5.266 -2.523 3.786
32 HA ASN 26 HA ASN 26 -4.735 -4.571 5.917
33 1HB ASN 26 1HB ASN 26 -3.930 -2.322 6.574
34 2HB ASN 26 2HB ASN 26 -5.536 -1.651 6.285
35 1HD2 ASN 26 1HD2 ASN 26 -3.668 -3.899 8.344
36 2HD2 ASN 26 2HD2 ASN 26 -4.818 -3.857 9.669
37 H CYS 27 H CYS 27 -7.308 -2.510 4.416
38 HA CYS 27 HA CYS 27 -9.479 -3.783 5.771
39 1HB CYS 27 1HB CYS 27 -9.458 -2.325 3.089
40 2HB CYS 27 2HB CYS 27 -10.867 -2.647 4.100
41 H GLY 28 H GLY 28 -7.549 -4.842 3.091
42 1HA GLY 28 2HA GLY 28 -8.960 -7.303 2.586
43 2HA GLY 28 1HA GLY 28 -7.639 -6.620 1.633
44 H LYS 29 H LYS 29 -9.862 -4.205 1.660
45 HA LYS 29 HA LYS 29 -11.813 -5.211 -0.274
46 1HB LYS 29 1HB LYS 29 -11.435 -2.771 1.422
47 2HB LYS 29 2HB LYS 29 -12.191 -2.474 -0.130
48 1HG LYS 29 1HG LYS 29 -13.901 -2.812 1.487
49 2HG LYS 29 2HG LYS 29 -13.930 -4.133 0.316
50 1HD LYS 29 1HD LYS 29 -12.775 -5.609 1.957
51 2HD LYS 29 2HD LYS 29 -12.730 -4.263 3.120
52 1HE LYS 29 1HE LYS 29 -15.200 -4.141 3.088
53 2HE LYS 29 2HE LYS 29 -15.264 -5.443 1.894
54 1HZ LYS 29 3HZ LYS 29 -14.183 -5.720 4.649
55 2HZ LYS 29 1HZ LYS 29 -15.632 -6.279 4.145
56 3HZ LYS 29 2HZ LYS 29 -14.258 -6.924 3.544
57 HA PRO 30 HA PRO 30 -9.821 -3.285 -3.936
58 1HB PRO 30 2HB PRO 30 -11.905 -3.405 -5.670
59 2HB PRO 30 1HB PRO 30 -11.023 -4.869 -5.155
60 1HG PRO 30 1HG PRO 30 -13.630 -3.786 -4.039
61 2HG PRO 30 2HG PRO 30 -13.269 -5.456 -4.589
62 1HD PRO 30 1HD PRO 30 -13.125 -4.676 -1.965
63 2HD PRO 30 2HD PRO 30 -12.043 -5.926 -2.648
64 H GLY 31 H GLY 31 -10.990 -1.427 -5.526
65 1HA GLY 31 2HA GLY 31 -12.766 0.464 -4.333
66 2HA GLY 31 1HA GLY 31 -11.651 0.781 -5.669
67 H HIS 32 H HIS 32 -9.273 0.089 -4.070
68 HA HIS 32 HA HIS 32 -9.182 2.288 -2.056
69 1HB HIS 32 1HB HIS 32 -8.143 -0.512 -2.119
70 2HB HIS 32 2HB HIS 32 -7.106 0.700 -1.379
71 HD1 HIS 32 HD1 HIS 32 -10.757 -0.581 -0.945
72 HD2 HIS 32 HD2 HIS 32 -7.629 1.420 1.034
73 HE1 HIS 32 HE1 HIS 32 -11.493 -0.310 1.496
74 H LEU 33 H LEU 33 -7.455 3.537 -1.831
75 HA LEU 33 HA LEU 33 -5.347 3.875 -3.845
76 1HB LEU 33 1HB LEU 33 -7.707 5.788 -3.433
77 2HB LEU 33 2HB LEU 33 -6.239 6.235 -4.289
78 HG LEU 33 HG LEU 33 -8.206 4.106 -5.221
79 1HD1 LEU 33 1HD1 LEU 33 -9.124 6.379 -5.309
80 2HD1 LEU 33 2HD1 LEU 33 -7.693 6.937 -6.202
81 3HD1 LEU 33 3HD1 LEU 33 -8.800 5.752 -6.934
82 1HD2 LEU 33 3HD2 LEU 33 -5.772 5.343 -6.595
83 2HD2 LEU 33 1HD2 LEU 33 -5.900 3.662 -6.035
84 3HD2 LEU 33 2HD2 LEU 33 -6.938 4.235 -7.348
85 H SER 34 H SER 34 -4.103 5.924 -3.243
86 HA SER 34 HA SER 34 -3.369 6.274 -0.557
87 1HB SER 34 1HB SER 34 -3.344 8.349 -2.780
88 2HB SER 34 2HB SER 34 -2.307 8.328 -1.341
89 HG SER 34 HG SER 34 -1.382 7.446 -3.355
90 H SER 35 H SER 35 -6.215 7.535 -2.152
91 HA SER 35 HA SER 35 -6.821 9.534 -0.066
92 1HB SER 35 1HB SER 35 -8.782 9.985 -1.543
93 2HB SER 35 2HB SER 35 -7.221 10.153 -2.364
94 HG SER 35 HG SER 35 -8.762 8.948 -3.597
95 H GLN 36 H GLN 36 -7.260 6.207 -0.354
96 HA GLN 36 HA GLN 36 -9.868 6.181 1.114
97 1HB GLN 36 1HB GLN 36 -9.472 4.925 -1.140
98 2HB GLN 36 2HB GLN 36 -8.479 3.824 -0.187
99 1HG GLN 36 1HG GLN 36 -10.578 2.786 -0.268
100 2HG GLN 36 2HG GLN 36 -10.567 3.521 1.328
101 1HE2 GLN 36 2HE2 GLN 36 -12.035 3.524 -1.894
102 2HE2 GLN 36 1HE2 GLN 36 -13.290 4.697 -1.497
103 H CYS 37 H CYS 37 -6.549 4.889 1.138
104 HA CYS 37 HA CYS 37 -6.498 4.739 4.086
105 1HB CYS 37 1HB CYS 37 -6.056 2.406 2.181
106 2HB CYS 37 2HB CYS 37 -5.204 2.478 3.710
107 H ARG 38 H ARG 38 -4.194 4.288 4.793
108 HA ARG 38 HA ARG 38 -2.389 6.257 3.849
109 1HB ARG 38 1HB ARG 38 -1.947 3.747 5.517
110 2HB ARG 38 2HB ARG 38 -0.691 4.946 5.233
111 1HG ARG 38 1HG ARG 38 -1.483 6.369 6.753
112 2HG ARG 38 2HG ARG 38 -3.124 6.295 6.136
113 1HD ARG 38 1HD ARG 38 -1.874 4.233 7.999
114 2HD ARG 38 2HD ARG 38 -2.884 5.572 8.534
115 HE ARG 38 HE ARG 38 -3.754 3.058 7.412
116 1HH1 ARG 38 1HH1 ARG 38 -4.808 6.389 7.777
117 2HH1 ARG 38 2HH1 ARG 38 -6.481 5.972 7.542
118 1HH2 ARG 38 1HH2 ARG 38 -5.896 2.619 7.079
119 2HH2 ARG 38 2HH2 ARG 38 -7.066 3.899 7.102
120 H ALA 39 H ALA 39 -2.635 2.895 2.789
121 HA ALA 39 HA ALA 39 -1.387 3.659 0.305
122 1HB ALA 39 2HB ALA 39 -0.048 1.513 2.017
123 2HB ALA 39 3HB ALA 39 0.393 1.899 0.350
124 3HB ALA 39 1HB ALA 39 0.658 3.103 1.623
125 HA PRO 40 HA PRO 40 -3.701 -0.131 -0.942
126 1HB PRO 40 2HB PRO 40 -2.634 -0.614 -3.390
127 2HB PRO 40 1HB PRO 40 -3.725 0.772 -3.093
128 1HG PRO 40 1HG PRO 40 -0.690 0.781 -3.161
129 2HG PRO 40 2HG PRO 40 -1.818 1.887 -4.008
130 1HD PRO 40 1HD PRO 40 -0.636 2.501 -1.610
131 2HD PRO 40 2HD PRO 40 -2.270 3.081 -2.043
132 H LYS 41 H LYS 41 -3.006 -2.378 -1.651
133 HA LYS 41 HA LYS 41 -1.316 -3.569 0.200
134 1HB LYS 41 1HB LYS 41 -3.243 -4.546 -1.144
135 2HB LYS 41 2HB LYS 41 -2.139 -4.728 -2.495
136 1HG LYS 41 1HG LYS 41 -2.508 -6.827 -1.301
137 2HG LYS 41 2HG LYS 41 -0.812 -6.368 -1.227
138 1HD LYS 41 1HD LYS 41 -1.091 -5.585 1.099
139 2HD LYS 41 2HD LYS 41 -2.842 -5.897 1.007
140 1HE LYS 41 1HE LYS 41 -2.380 -8.304 0.631
141 2HE LYS 41 2HE LYS 41 -0.643 -7.993 0.720
142 1HZ LYS 41 2HZ LYS 41 -2.569 -7.520 2.939
143 2HZ LYS 41 3HZ LYS 41 -1.526 -8.771 2.851
144 3HZ LYS 41 1HZ LYS 41 -0.959 -7.251 3.023
145 H VAL 42 H VAL 42 -0.164 -2.025 -2.564
146 HA VAL 42 HA VAL 42 2.348 -3.289 -3.057
147 HB VAL 42 HB VAL 42 1.620 -0.328 -3.075
148 1HG1 VAL 42 1HG1 VAL 42 3.861 -1.825 -4.489
149 2HG1 VAL 42 2HG1 VAL 42 3.427 -0.126 -4.773
150 3HG1 VAL 42 3HG1 VAL 42 4.056 -0.614 -3.202
151 1HG2 VAL 42 2HG2 VAL 42 1.496 -2.405 -5.308
152 2HG2 VAL 42 3HG2 VAL 42 0.107 -1.581 -4.566
153 3HG2 VAL 42 1HG2 VAL 42 1.260 -0.657 -5.518
154 H CYS 43 H CYS 43 1.291 -1.170 -0.396
155 HA CYS 43 HA CYS 43 3.870 -1.483 1.040
156 1HB CYS 43 1HB CYS 43 3.993 0.403 -0.639
157 2HB CYS 43 2HB CYS 43 2.696 1.217 0.246
158 H PHE 44 H PHE 44 3.274 0.657 2.782
159 HA PHE 44 HA PHE 44 0.594 0.235 3.968
160 1HB PHE 44 1HB PHE 44 1.348 -0.144 6.154
161 2HB PHE 44 2HB PHE 44 2.278 -1.251 5.165
162 HD1 PHE 44 HD1 PHE 44 2.380 1.504 7.524
163 HD2 PHE 44 HD2 PHE 44 4.729 -0.617 4.591
164 HE1 PHE 44 HE1 PHE 44 4.452 2.486 8.473
165 HE2 PHE 44 HE2 PHE 44 6.798 0.368 5.547
166 HZ PHE 44 HZ PHE 44 6.665 1.924 7.481
167 H LYS 45 H LYS 45 3.282 2.340 3.253
168 HA LYS 45 HA LYS 45 1.735 4.719 4.053
169 1HB LYS 45 1HB LYS 45 2.853 4.044 6.150
170 2HB LYS 45 2HB LYS 45 4.410 3.995 5.338
171 1HG LYS 45 1HG LYS 45 4.240 5.980 6.684
172 2HG LYS 45 2HG LYS 45 4.315 6.453 4.989
173 1HD LYS 45 1HD LYS 45 1.869 6.858 4.974
174 2HD LYS 45 2HD LYS 45 1.757 6.280 6.655
175 1HE LYS 45 1HE LYS 45 3.323 8.094 7.357
176 2HE LYS 45 2HE LYS 45 3.387 8.677 5.690
177 1HZ LYS 45 2HZ LYS 45 0.991 9.128 5.828
178 2HZ LYS 45 3HZ LYS 45 0.938 8.589 7.374
179 3HZ LYS 45 1HZ LYS 45 1.783 9.932 7.004
180 H CYS 46 H CYS 46 5.132 3.857 3.126
181 HA CYS 46 HA CYS 46 5.473 6.395 1.853
182 1HB CYS 46 1HB CYS 46 7.763 5.361 1.328
183 2HB CYS 46 2HB CYS 46 7.299 5.612 3.009
184 H LYS 47 H LYS 47 4.756 3.232 0.521
185 HA LYS 47 HA LYS 47 4.306 2.500 -1.613
186 1HB LYS 47 1HB LYS 47 2.255 3.544 -2.391
187 2HB LYS 47 2HB LYS 47 2.298 3.330 -0.648
188 1HG LYS 47 1HG LYS 47 2.870 5.732 -0.358
189 2HG LYS 47 2HG LYS 47 2.771 5.967 -2.105
190 1HD LYS 47 1HD LYS 47 0.419 5.450 -2.109
191 2HD LYS 47 2HD LYS 47 0.459 4.874 -0.436
192 1HE LYS 47 1HE LYS 47 1.176 7.731 -1.210
193 2HE LYS 47 2HE LYS 47 -0.477 7.230 -0.840
194 1HZ LYS 47 3HZ LYS 47 1.777 6.897 1.074
195 2HZ LYS 47 1HZ LYS 47 0.682 8.121 1.125
196 3HZ LYS 47 2HZ LYS 47 0.213 6.565 1.359
197 H GLN 48 H GLN 48 6.750 4.087 -1.902
198 HA GLN 48 HA GLN 48 6.604 5.545 -4.363
199 1HB GLN 48 1HB GLN 48 8.985 4.181 -3.033
200 2HB GLN 48 2HB GLN 48 9.096 5.330 -4.361
201 1HG GLN 48 1HG GLN 48 8.086 5.905 -1.546
202 2HG GLN 48 2HG GLN 48 9.598 6.436 -2.259
203 1HE2 GLN 48 2HE2 GLN 48 6.286 7.270 -1.793
204 2HE2 GLN 48 1HE2 GLN 48 6.287 8.679 -2.859
205 HA PRO 49 HA PRO 49 6.038 2.853 -7.583
206 1HB PRO 49 2HB PRO 49 8.612 3.770 -8.882
207 2HB PRO 49 1HB PRO 49 6.991 3.568 -9.622
208 1HG PRO 49 1HG PRO 49 7.810 6.019 -8.854
209 2HG PRO 49 2HG PRO 49 6.145 5.480 -8.461
210 1HD PRO 49 1HD PRO 49 8.570 5.566 -6.670
211 2HD PRO 49 2HD PRO 49 6.876 6.015 -6.325
212 H GLY 50 H GLY 50 9.270 2.237 -6.282
213 1HA GLY 50 2HA GLY 50 10.357 0.188 -7.617
214 2HA GLY 50 1HA GLY 50 8.955 -0.648 -6.950
215 H HIS 51 H HIS 51 9.604 1.414 -4.517
216 HA HIS 51 HA HIS 51 12.023 0.418 -3.351
217 1HB HIS 51 1HB HIS 51 11.454 1.742 -1.507
218 2HB HIS 51 2HB HIS 51 10.744 2.604 -2.861
219 HD1 HIS 51 HD1 HIS 51 7.849 1.812 -3.119
220 HD2 HIS 51 HD2 HIS 51 9.945 1.225 0.494
221 HE1 HIS 51 HE1 HIS 51 6.118 1.229 -1.361
222 H PHE 52 H PHE 52 8.732 -0.770 -3.245
223 HA PHE 52 HA PHE 52 8.644 -1.805 -0.678
224 1HB PHE 52 1HB PHE 52 6.662 -3.103 -1.537
225 2HB PHE 52 2HB PHE 52 6.638 -1.376 -1.790
226 HD1 PHE 52 HD1 PHE 52 6.713 -0.387 -4.026
227 HD2 PHE 52 HD2 PHE 52 6.919 -4.665 -3.476
228 HE1 PHE 52 HE1 PHE 52 6.286 -0.723 -6.440
229 HE2 PHE 52 HE2 PHE 52 6.501 -4.989 -5.898
230 HZ PHE 52 HZ PHE 52 6.189 -3.019 -7.387
231 H SER 53 H SER 53 9.540 -3.635 -3.630
232 HA SER 53 HA SER 53 9.853 -6.172 -2.426
233 1HB SER 53 1HB SER 53 11.379 -5.008 -4.786
234 2HB SER 53 2HB SER 53 11.183 -6.731 -4.404
235 HG SER 53 HG SER 53 9.667 -6.019 -5.973
236 H LYS 54 H LYS 54 11.702 -3.465 -1.671
237 HA LYS 54 HA LYS 54 13.935 -5.122 -0.574
238 1HB LYS 54 1HB LYS 54 14.190 -2.339 -1.802
239 2HB LYS 54 2HB LYS 54 15.470 -3.266 -1.034
240 1HG LYS 54 1HG LYS 54 16.007 -3.854 -3.130
241 2HG LYS 54 2HG LYS 54 14.807 -5.104 -2.863
242 1HD LYS 54 1HD LYS 54 14.370 -4.206 -5.013
243 2HD LYS 54 2HD LYS 54 13.101 -3.520 -3.988
244 1HE LYS 54 1HE LYS 54 14.387 -1.413 -3.780
245 2HE LYS 54 2HE LYS 54 15.709 -2.117 -4.722
246 1HZ LYS 54 3HZ LYS 54 14.161 -2.305 -6.608
247 2HZ LYS 54 1HZ LYS 54 12.958 -1.611 -5.735
248 3HZ LYS 54 2HZ LYS 54 14.293 -0.753 -6.125
249 H GLN 55 H GLN 55 11.304 -3.628 0.477
250 HA GLN 55 HA GLN 55 12.535 -3.051 3.075
251 1HB GLN 55 1HB GLN 55 12.716 -0.874 1.847
252 2HB GLN 55 2HB GLN 55 10.962 -0.851 1.664
253 1HG GLN 55 1HG GLN 55 10.761 -0.884 4.188
254 2HG GLN 55 2HG GLN 55 12.522 -0.823 4.292
255 1HE2 GLN 55 1HE2 GLN 55 9.595 0.988 3.492
256 2HE2 GLN 55 2HE2 GLN 55 10.379 2.565 3.424
257 H CYS 56 H CYS 56 9.389 -2.375 1.453
258 HA CYS 56 HA CYS 56 8.006 -3.025 3.930
259 1HB CYS 56 1HB CYS 56 7.045 -1.859 1.284
260 2HB CYS 56 2HB CYS 56 6.112 -1.932 2.787
261 H ARG 57 H ARG 57 8.543 -4.720 0.991
262 HA ARG 57 HA ARG 57 6.512 -6.801 1.643
263 1HB ARG 57 1HB ARG 57 6.013 -4.833 -0.242
264 2HB ARG 57 2HB ARG 57 6.817 -6.020 -1.241
265 1HG ARG 57 1HG ARG 57 4.750 -6.925 -1.460
266 2HG ARG 57 2HG ARG 57 5.013 -7.626 0.132
267 1HD ARG 57 1HD ARG 57 3.522 -5.077 -0.594
268 2HD ARG 57 2HD ARG 57 2.844 -6.554 0.104
269 HE ARG 57 HE ARG 57 4.822 -5.490 1.893
270 1HH1 ARG 57 1HH2 ARG 57 1.664 -4.530 0.747
271 2HH1 ARG 57 2HH2 ARG 57 1.451 -3.416 2.075
272 1HH2 ARG 57 2HH1 ARG 57 4.433 -4.213 3.567
273 2HH2 ARG 57 1HH1 ARG 57 2.873 -3.431 3.773
274 H SER 58 H SER 58 9.569 -6.480 1.583
275 HA SER 58 HA SER 58 10.934 -7.969 -0.276
276 1HB SER 58 1HB SER 58 11.405 -8.038 2.722
277 2HB SER 58 2HB SER 58 12.594 -8.362 1.447
278 HG SER 58 HG SER 58 12.692 -6.185 2.266
No H/Q in entry = 278
Start of MODEL 15
1 H1 GLN 22 H1 GLN 22 -8.006 -0.869 -7.451
2 H2 GLN 22 H3 GLN 22 -7.547 0.497 -6.667
3 H3 GLN 22 H2 GLN 22 -6.755 0.023 -8.029
4 HA GLN 22 HA GLN 22 -5.923 -1.941 -6.933
5 1HB GLN 22 1HB GLN 22 -5.221 0.813 -6.192
6 2HB GLN 22 2HB GLN 22 -4.848 -0.284 -4.889
7 1HG GLN 22 1HG GLN 22 -3.938 -0.689 -7.777
8 2HG GLN 22 2HG GLN 22 -2.998 0.142 -6.542
9 1HE2 GLN 22 2HE2 GLN 22 -1.566 -1.813 -7.513
10 2HE2 GLN 22 1HE2 GLN 22 -1.625 -3.245 -6.493
11 H THR 23 H THR 23 -5.293 -2.528 -4.481
12 HA THR 23 HA THR 23 -7.853 -2.963 -2.976
13 HB THR 23 HB THR 23 -5.512 -4.846 -3.471
14 HG1 THR 23 HG1 THR 23 -7.017 -5.975 -4.685
15 1HG2 THR 23 1HG2 THR 23 -8.137 -5.386 -2.012
16 2HG2 THR 23 2HG2 THR 23 -6.913 -6.595 -2.437
17 3HG2 THR 23 3HG2 THR 23 -6.521 -5.337 -1.266
18 H CYS 24 H CYS 24 -7.704 -2.915 -0.709
19 HA CYS 24 HA CYS 24 -5.856 -1.077 0.362
20 1HB CYS 24 1HB CYS 24 -8.232 -1.710 1.113
21 2HB CYS 24 2HB CYS 24 -7.486 -3.069 1.968
22 H TYR 25 H TYR 25 -4.237 -1.217 1.900
23 HA TYR 25 HA TYR 25 -2.591 -3.614 2.121
24 1HB TYR 25 1HB TYR 25 -1.106 -2.338 3.297
25 2HB TYR 25 2HB TYR 25 -1.800 -1.152 2.215
26 HD1 TYR 25 HD1 TYR 25 -0.705 -1.679 5.469
27 HD2 TYR 25 HD2 TYR 25 -4.057 0.060 3.377
28 HE1 TYR 25 HE1 TYR 25 -1.220 -0.271 7.453
29 HE2 TYR 25 HE2 TYR 25 -4.597 1.410 5.378
30 HH TYR 25 HH TYR 25 -2.650 1.270 8.375
31 H ASN 26 H ASN 26 -5.384 -2.476 3.818
32 HA ASN 26 HA ASN 26 -4.869 -4.327 6.128
33 1HB ASN 26 1HB ASN 26 -4.135 -2.057 6.679
34 2HB ASN 26 2HB ASN 26 -5.687 -1.389 6.174
35 1HD2 ASN 26 1HD2 ASN 26 -7.355 -1.320 7.703
36 2HD2 ASN 26 2HD2 ASN 26 -7.202 -2.038 9.299
37 H CYS 27 H CYS 27 -7.428 -2.381 4.456
38 HA CYS 27 HA CYS 27 -9.590 -3.499 5.926
39 1HB CYS 27 1HB CYS 27 -9.578 -2.205 3.164
40 2HB CYS 27 2HB CYS 27 -10.982 -2.425 4.209
41 H GLY 28 H GLY 28 -7.787 -4.855 3.286
42 1HA GLY 28 2HA GLY 28 -9.294 -7.294 3.092
43 2HA GLY 28 1HA GLY 28 -8.031 -6.741 1.986
44 H LYS 29 H LYS 29 -9.611 -4.218 1.427
45 HA LYS 29 HA LYS 29 -11.907 -5.280 -0.161
46 1HB LYS 29 1HB LYS 29 -11.494 -2.828 1.509
47 2HB LYS 29 2HB LYS 29 -12.279 -2.551 -0.033
48 1HG LYS 29 1HG LYS 29 -13.975 -2.853 1.579
49 2HG LYS 29 2HG LYS 29 -14.003 -4.234 0.479
50 1HD LYS 29 1HD LYS 29 -12.817 -5.606 2.182
51 2HD LYS 29 2HD LYS 29 -12.769 -4.195 3.266
52 1HE LYS 29 1HE LYS 29 -15.229 -4.109 3.297
53 2HE LYS 29 2HE LYS 29 -15.313 -5.468 2.169
54 1HZ LYS 29 3HZ LYS 29 -14.132 -5.606 4.894
55 2HZ LYS 29 1HZ LYS 29 -15.600 -6.191 4.477
56 3HZ LYS 29 2HZ LYS 29 -14.250 -6.860 3.852
57 HA PRO 30 HA PRO 30 -9.978 -3.418 -3.873
58 1HB PRO 30 2HB PRO 30 -12.067 -3.582 -5.586
59 2HB PRO 30 1HB PRO 30 -11.232 -5.049 -5.005
60 1HG PRO 30 1HG PRO 30 -13.790 -3.823 -3.919
61 2HG PRO 30 2HG PRO 30 -13.502 -5.524 -4.410
62 1HD PRO 30 1HD PRO 30 -13.291 -4.652 -1.817
63 2HD PRO 30 2HD PRO 30 -12.277 -5.975 -2.465
64 H GLY 31 H GLY 31 -11.238 -1.615 -5.510
65 1HA GLY 31 2HA GLY 31 -12.933 0.332 -4.299
66 2HA GLY 31 1HA GLY 31 -11.873 0.599 -5.690
67 H HIS 32 H HIS 32 -9.437 -0.085 -4.181
68 HA HIS 32 HA HIS 32 -9.216 2.175 -2.247
69 1HB HIS 32 1HB HIS 32 -8.284 -0.667 -2.208
70 2HB HIS 32 2HB HIS 32 -7.190 0.537 -1.546
71 HD1 HIS 32 HD1 HIS 32 -10.851 -0.629 -0.962
72 HD2 HIS 32 HD2 HIS 32 -7.630 1.383 0.853
73 HE1 HIS 32 HE1 HIS 32 -11.517 -0.245 1.484
74 H LEU 33 H LEU 33 -7.333 3.258 -2.069
75 HA LEU 33 HA LEU 33 -5.307 3.367 -4.186
76 1HB LEU 33 1HB LEU 33 -7.419 5.536 -3.686
77 2HB LEU 33 2HB LEU 33 -5.930 5.833 -4.565
78 HG LEU 33 HG LEU 33 -8.121 3.933 -5.485
79 1HD1 LEU 33 1HD1 LEU 33 -8.798 6.294 -5.539
80 2HD1 LEU 33 2HD1 LEU 33 -7.327 6.707 -6.447
81 3HD1 LEU 33 3HD1 LEU 33 -8.561 5.654 -7.173
82 1HD2 LEU 33 2HD2 LEU 33 -5.588 4.924 -6.880
83 2HD2 LEU 33 3HD2 LEU 33 -5.896 3.257 -6.348
84 3HD2 LEU 33 1HD2 LEU 33 -6.879 3.964 -7.634
85 H SER 34 H SER 34 -3.801 5.175 -3.670
86 HA SER 34 HA SER 34 -2.823 5.388 -1.060
87 1HB SER 34 1HB SER 34 -2.562 7.347 -3.373
88 2HB SER 34 2HB SER 34 -1.442 7.178 -2.011
89 HG SER 34 HG SER 34 -0.820 6.028 -3.975
90 H SER 35 H SER 35 -5.686 6.834 -2.081
91 HA SER 35 HA SER 35 -5.644 8.890 0.088
92 1HB SER 35 1HB SER 35 -7.323 10.088 -1.290
93 2HB SER 35 2HB SER 35 -5.760 9.914 -2.111
94 HG SER 35 HG SER 35 -7.551 9.384 -3.477
95 H GLN 36 H GLN 36 -7.109 5.939 -0.924
96 HA GLN 36 HA GLN 36 -9.619 6.300 0.586
97 1HB GLN 36 1HB GLN 36 -9.307 4.799 -1.487
98 2HB GLN 36 2HB GLN 36 -8.360 3.733 -0.448
99 1HG GLN 36 1HG GLN 36 -10.529 2.802 -0.484
100 2HG GLN 36 2HG GLN 36 -10.434 3.595 1.077
101 1HE2 GLN 36 2HE2 GLN 36 -12.031 3.516 -2.062
102 2HE2 GLN 36 1HE2 GLN 36 -13.192 4.789 -1.690
103 H CYS 37 H CYS 37 -6.443 4.795 0.934
104 HA CYS 37 HA CYS 37 -6.577 4.861 3.874
105 1HB CYS 37 1HB CYS 37 -6.110 2.402 2.154
106 2HB CYS 37 2HB CYS 37 -5.291 2.552 3.697
107 H ARG 38 H ARG 38 -4.257 4.340 4.717
108 HA ARG 38 HA ARG 38 -2.457 6.331 3.844
109 1HB ARG 38 1HB ARG 38 -1.929 3.787 5.450
110 2HB ARG 38 2HB ARG 38 -0.730 5.031 5.144
111 1HG ARG 38 1HG ARG 38 -1.356 5.755 7.142
112 2HG ARG 38 2HG ARG 38 -2.525 6.677 6.214
113 1HD ARG 38 1HD ARG 38 -3.139 3.949 7.428
114 2HD ARG 38 2HD ARG 38 -3.250 5.425 8.371
115 HE ARG 38 HE ARG 38 -4.901 6.260 6.646
116 1HH1 ARG 38 2HH2 ARG 38 -4.726 2.811 7.395
117 2HH1 ARG 38 1HH2 ARG 38 -6.418 2.598 7.029
118 1HH2 ARG 38 1HH1 ARG 38 -7.047 5.862 6.254
119 2HH2 ARG 38 2HH1 ARG 38 -7.640 4.230 6.301
120 H ALA 39 H ALA 39 -2.620 2.976 2.769
121 HA ALA 39 HA ALA 39 -1.396 3.739 0.269
122 1HB ALA 39 3HB ALA 39 -0.035 1.619 2.001
123 2HB ALA 39 1HB ALA 39 0.395 2.002 0.328
124 3HB ALA 39 2HB ALA 39 0.655 3.212 1.598
125 HA PRO 40 HA PRO 40 -3.766 -0.065 -0.852
126 1HB PRO 40 2HB PRO 40 -2.751 -0.628 -3.306
127 2HB PRO 40 1HB PRO 40 -3.815 0.784 -3.020
128 1HG PRO 40 1HG PRO 40 -0.785 0.743 -3.153
129 2HG PRO 40 2HG PRO 40 -1.914 1.843 -4.006
130 1HD PRO 40 1HD PRO 40 -0.673 2.501 -1.646
131 2HD PRO 40 2HD PRO 40 -2.304 3.093 -2.062
132 H LYS 41 H LYS 41 -3.095 -2.341 -1.564
133 HA LYS 41 HA LYS 41 -1.419 -3.585 0.268
134 1HB LYS 41 1HB LYS 41 -3.323 -4.512 -1.124
135 2HB LYS 41 2HB LYS 41 -2.189 -4.690 -2.463
136 1HG LYS 41 1HG LYS 41 -0.853 -6.286 -1.151
137 2HG LYS 41 2HG LYS 41 -1.849 -5.982 0.287
138 1HD LYS 41 1HD LYS 41 -3.819 -6.927 -0.873
139 2HD LYS 41 2HD LYS 41 -2.840 -7.191 -2.335
140 1HE LYS 41 1HE LYS 41 -1.323 -8.681 -1.042
141 2HE LYS 41 2HE LYS 41 -2.304 -8.429 0.405
142 1HZ LYS 41 1HZ LYS 41 -3.266 -9.700 -2.106
143 2HZ LYS 41 2HZ LYS 41 -2.905 -10.491 -0.727
144 3HZ LYS 41 3HZ LYS 41 -4.175 -9.471 -0.764
145 H VAL 42 H VAL 42 -0.275 -1.999 -2.502
146 HA VAL 42 HA VAL 42 2.251 -3.209 -3.013
147 HB VAL 42 HB VAL 42 1.461 -0.264 -2.995
148 1HG1 VAL 42 1HG1 VAL 42 3.738 -1.685 -4.430
149 2HG1 VAL 42 2HG1 VAL 42 3.251 0.003 -4.700
150 3HG1 VAL 42 3HG1 VAL 42 3.895 -0.477 -3.132
151 1HG2 VAL 42 3HG2 VAL 42 1.380 -2.316 -5.252
152 2HG2 VAL 42 1HG2 VAL 42 -0.028 -1.545 -4.490
153 3HG2 VAL 42 2HG2 VAL 42 1.092 -0.572 -5.436
154 H CYS 43 H CYS 43 1.205 -1.100 -0.331
155 HA CYS 43 HA CYS 43 3.795 -1.417 1.078
156 1HB CYS 43 1HB CYS 43 3.922 0.485 -0.581
157 2HB CYS 43 2HB CYS 43 2.627 1.296 0.307
158 H PHE 44 H PHE 44 3.158 0.767 2.805
159 HA PHE 44 HA PHE 44 0.517 0.282 4.033
160 1HB PHE 44 1HB PHE 44 1.287 -0.143 6.204
161 2HB PHE 44 2HB PHE 44 2.211 -1.229 5.187
162 HD1 PHE 44 HD1 PHE 44 2.327 1.463 7.613
163 HD2 PHE 44 HD2 PHE 44 4.658 -0.574 4.605
164 HE1 PHE 44 HE1 PHE 44 4.405 2.427 8.568
165 HE2 PHE 44 HE2 PHE 44 6.732 0.395 5.568
166 HZ PHE 44 HZ PHE 44 6.610 1.901 7.541
167 H LYS 45 H LYS 45 3.284 2.381 3.482
168 HA LYS 45 HA LYS 45 1.690 4.761 4.195
169 1HB LYS 45 1HB LYS 45 2.688 4.015 6.348
170 2HB LYS 45 2HB LYS 45 4.302 4.109 5.638
171 1HG LYS 45 1HG LYS 45 3.993 6.561 5.296
172 2HG LYS 45 2HG LYS 45 2.360 6.442 5.981
173 1HD LYS 45 1HD LYS 45 3.331 5.650 8.130
174 2HD LYS 45 2HD LYS 45 4.962 5.760 7.430
175 1HE LYS 45 1HE LYS 45 4.614 8.197 7.035
176 2HE LYS 45 2HE LYS 45 3.002 8.081 7.753
177 1HZ LYS 45 2HZ LYS 45 4.061 7.403 9.847
178 2HZ LYS 45 3HZ LYS 45 5.549 7.518 9.182
179 3HZ LYS 45 1HZ LYS 45 4.634 8.853 9.374
180 H CYS 46 H CYS 46 5.102 3.819 3.406
181 HA CYS 46 HA CYS 46 5.631 6.370 2.255
182 1HB CYS 46 1HB CYS 46 7.834 5.088 1.627
183 2HB CYS 46 2HB CYS 46 7.443 5.511 3.291
184 H LYS 47 H LYS 47 4.738 3.334 0.727
185 HA LYS 47 HA LYS 47 4.261 2.762 -1.444
186 1HB LYS 47 1HB LYS 47 2.304 4.012 -2.191
187 2HB LYS 47 2HB LYS 47 2.297 3.674 -0.468
188 1HG LYS 47 1HG LYS 47 3.000 5.986 0.026
189 2HG LYS 47 2HG LYS 47 3.053 6.364 -1.697
190 1HD LYS 47 1HD LYS 47 0.705 6.122 -1.917
191 2HD LYS 47 2HD LYS 47 0.518 5.344 -0.339
192 1HE LYS 47 1HE LYS 47 1.554 8.193 -0.670
193 2HE LYS 47 2HE LYS 47 -0.166 7.822 -0.510
194 1HZ LYS 47 2HZ LYS 47 1.873 7.077 1.525
195 2HZ LYS 47 3HZ LYS 47 0.829 8.339 1.645
196 3HZ LYS 47 1HZ LYS 47 0.273 6.795 1.626
197 H GLN 48 H GLN 48 6.814 4.257 -1.614
198 HA GLN 48 HA GLN 48 6.756 5.832 -4.004
199 1HB GLN 48 1HB GLN 48 9.074 4.334 -2.713
200 2HB GLN 48 2HB GLN 48 9.238 5.544 -3.977
201 1HG GLN 48 1HG GLN 48 8.213 6.005 -1.148
202 2HG GLN 48 2HG GLN 48 9.744 6.529 -1.821
203 1HE2 GLN 48 2HE2 GLN 48 6.458 7.434 -1.329
204 2HE2 GLN 48 1HE2 GLN 48 6.504 8.893 -2.326
205 HA PRO 49 HA PRO 49 6.196 3.305 -7.369
206 1HB PRO 49 2HB PRO 49 8.816 4.233 -8.567
207 2HB PRO 49 1HB PRO 49 7.205 4.104 -9.347
208 1HG PRO 49 1HG PRO 49 8.057 6.494 -8.441
209 2HG PRO 49 2HG PRO 49 6.373 5.970 -8.104
210 1HD PRO 49 1HD PRO 49 8.770 5.907 -6.271
211 2HD PRO 49 2HD PRO 49 7.080 6.385 -5.934
212 H GLY 50 H GLY 50 9.343 2.518 -5.981
213 1HA GLY 50 2HA GLY 50 10.447 0.518 -7.372
214 2HA GLY 50 1HA GLY 50 8.974 -0.304 -6.860
215 H HIS 51 H HIS 51 9.738 1.696 -4.313
216 HA HIS 51 HA HIS 51 11.978 0.472 -3.091
217 1HB HIS 51 1HB HIS 51 11.440 1.767 -1.222
218 2HB HIS 51 2HB HIS 51 10.813 2.713 -2.562
219 HD1 HIS 51 HD1 HIS 51 7.882 1.983 -2.926
220 HD2 HIS 51 HD2 HIS 51 9.869 1.385 0.745
221 HE1 HIS 51 HE1 HIS 51 6.091 1.460 -1.208
222 H PHE 52 H PHE 52 8.634 -0.580 -3.138
223 HA PHE 52 HA PHE 52 8.477 -1.939 -0.687
224 1HB PHE 52 1HB PHE 52 6.544 -3.142 -1.848
225 2HB PHE 52 2HB PHE 52 6.479 -1.400 -1.711
226 HD1 PHE 52 HD1 PHE 52 6.941 -4.221 -4.095
227 HD2 PHE 52 HD2 PHE 52 6.498 0.048 -3.652
228 HE1 PHE 52 HE1 PHE 52 6.584 -3.997 -6.539
229 HE2 PHE 52 HE2 PHE 52 6.122 0.262 -6.086
230 HZ PHE 52 HZ PHE 52 6.180 -1.754 -7.543
231 H SER 53 H SER 53 9.411 -3.292 -3.873
232 HA SER 53 HA SER 53 9.753 -5.979 -3.058
233 1HB SER 53 1HB SER 53 11.183 -4.454 -5.269
234 2HB SER 53 2HB SER 53 11.060 -6.219 -5.126
235 HG SER 53 HG SER 53 9.465 -5.384 -6.530
236 H LYS 54 H LYS 54 11.646 -3.379 -2.021
237 HA LYS 54 HA LYS 54 13.803 -5.223 -1.090
238 1HB LYS 54 1HB LYS 54 15.473 -3.498 -1.453
239 2HB LYS 54 2HB LYS 54 14.673 -3.932 -2.961
240 1HG LYS 54 1HG LYS 54 13.324 -1.877 -2.895
241 2HG LYS 54 2HG LYS 54 13.956 -1.476 -1.291
242 1HD LYS 54 1HD LYS 54 15.072 -0.112 -2.916
243 2HD LYS 54 2HD LYS 54 16.240 -1.266 -2.254
244 1HE LYS 54 1HE LYS 54 15.928 -2.709 -4.271
245 2HE LYS 54 2HE LYS 54 14.758 -1.550 -4.914
246 1HZ LYS 54 2HZ LYS 54 16.548 0.113 -4.967
247 2HZ LYS 54 3HZ LYS 54 17.624 -0.965 -4.376
248 3HZ LYS 54 1HZ LYS 54 16.968 -1.192 -5.852
249 H GLN 55 H GLN 55 11.262 -3.621 0.017
250 HA GLN 55 HA GLN 55 12.432 -3.359 2.707
251 1HB GLN 55 1HB GLN 55 12.703 -1.113 1.646
252 2HB GLN 55 2HB GLN 55 10.963 -1.018 1.413
253 1HG GLN 55 1HG GLN 55 10.689 -1.230 3.930
254 2HG GLN 55 2HG GLN 55 12.446 -1.223 4.077
255 1HE2 GLN 55 1HE2 GLN 55 9.590 0.746 3.580
256 2HE2 GLN 55 2HE2 GLN 55 10.440 2.287 3.553
257 H CYS 56 H CYS 56 9.319 -2.000 1.682
258 HA CYS 56 HA CYS 56 8.004 -3.149 3.832
259 1HB CYS 56 1HB CYS 56 6.867 -1.875 1.303
260 2HB CYS 56 2HB CYS 56 6.028 -2.046 2.856
261 H ARG 57 H ARG 57 8.415 -4.605 0.724
262 HA ARG 57 HA ARG 57 6.522 -6.813 1.384
263 1HB ARG 57 1HB ARG 57 5.904 -4.783 -0.426
264 2HB ARG 57 2HB ARG 57 6.655 -5.958 -1.480
265 1HG ARG 57 1HG ARG 57 4.578 -6.855 -1.595
266 2HG ARG 57 2HG ARG 57 4.936 -7.588 -0.037
267 1HD ARG 57 1HD ARG 57 3.414 -5.016 -0.615
268 2HD ARG 57 2HD ARG 57 2.763 -6.512 0.067
269 HE ARG 57 HE ARG 57 4.815 -5.543 1.806
270 1HH1 ARG 57 1HH2 ARG 57 1.644 -4.471 0.806
271 2HH1 ARG 57 2HH2 ARG 57 1.499 -3.392 2.169
272 1HH2 ARG 57 1HH1 ARG 57 4.517 -4.314 3.538
273 2HH2 ARG 57 2HH1 ARG 57 2.990 -3.489 3.815
274 H SER 58 H SER 58 9.548 -6.340 1.213
275 HA SER 58 HA SER 58 10.785 -7.907 -0.798
276 1HB SER 58 1HB SER 58 11.875 -6.317 0.817
277 2HB SER 58 2HB SER 58 11.691 -7.550 2.082
278 HG SER 58 HG SER 58 13.748 -7.723 1.059
No H/Q in entry = 278
Start of MODEL 16
1 H1 GLN 22 H3 GLN 22 -8.297 -0.374 -6.138
2 H2 GLN 22 H2 GLN 22 -7.285 0.840 -5.718
3 H3 GLN 22 H1 GLN 22 -7.318 0.301 -7.274
4 HA GLN 22 HA GLN 22 -6.502 -1.859 -6.588
5 1HB GLN 22 1HB GLN 22 -4.885 -0.124 -7.339
6 2HB GLN 22 2HB GLN 22 -4.731 0.454 -5.682
7 1HG GLN 22 1HG GLN 22 -2.824 -0.917 -6.259
8 2HG GLN 22 2HG GLN 22 -3.748 -1.738 -5.012
9 1HE2 GLN 22 1HE2 GLN 22 -2.089 -2.340 -7.852
10 2HE2 GLN 22 2HE2 GLN 22 -2.971 -3.784 -8.337
11 H THR 23 H THR 23 -6.309 -3.358 -4.983
12 HA THR 23 HA THR 23 -7.777 -3.109 -2.687
13 HB THR 23 HB THR 23 -5.447 -5.020 -3.034
14 HG1 THR 23 HG1 THR 23 -6.949 -6.276 -4.139
15 1HG2 THR 23 3HG2 THR 23 -8.143 -5.332 -1.629
16 2HG2 THR 23 1HG2 THR 23 -6.917 -6.602 -1.820
17 3HG2 THR 23 2HG2 THR 23 -6.564 -5.196 -0.814
18 H CYS 24 H CYS 24 -7.595 -2.475 -0.664
19 HA CYS 24 HA CYS 24 -5.670 -0.785 0.377
20 1HB CYS 24 1HB CYS 24 -8.046 -1.295 1.149
21 2HB CYS 24 2HB CYS 24 -7.403 -2.729 1.947
22 H TYR 25 H TYR 25 -4.023 -0.950 1.935
23 HA TYR 25 HA TYR 25 -2.426 -3.336 2.123
24 1HB TYR 25 1HB TYR 25 -0.990 -2.170 3.412
25 2HB TYR 25 2HB TYR 25 -1.700 -0.872 2.479
26 HD1 TYR 25 HD1 TYR 25 -0.696 -1.910 5.675
27 HD2 TYR 25 HD2 TYR 25 -3.891 0.248 3.728
28 HE1 TYR 25 HE1 TYR 25 -1.318 -0.864 7.846
29 HE2 TYR 25 HE2 TYR 25 -4.539 1.248 5.909
30 HH TYR 25 HH TYR 25 -4.133 1.327 8.168
31 H ASN 26 H ASN 26 -5.232 -2.320 3.852
32 HA ASN 26 HA ASN 26 -4.853 -4.422 5.970
33 1HB ASN 26 1HB ASN 26 -4.374 -2.240 6.860
34 2HB ASN 26 2HB ASN 26 -5.791 -1.525 6.094
35 1HD2 ASN 26 2HD2 ASN 26 -7.863 -1.766 7.084
36 2HD2 ASN 26 1HD2 ASN 26 -7.994 -2.441 8.702
37 H CYS 27 H CYS 27 -7.338 -2.449 4.262
38 HA CYS 27 HA CYS 27 -9.503 -3.773 5.540
39 1HB CYS 27 1HB CYS 27 -9.492 -1.944 3.107
40 2HB CYS 27 2HB CYS 27 -10.866 -2.290 4.164
41 H GLY 28 H GLY 28 -7.702 -4.907 2.894
42 1HA GLY 28 2HA GLY 28 -9.255 -7.202 2.396
43 2HA GLY 28 1HA GLY 28 -7.997 -6.567 1.328
44 H LYS 29 H LYS 29 -9.357 -4.075 0.754
45 HA LYS 29 HA LYS 29 -11.841 -4.895 -0.696
46 1HB LYS 29 1HB LYS 29 -12.151 -3.643 1.428
47 2HB LYS 29 2HB LYS 29 -11.198 -2.333 0.787
48 1HG LYS 29 1HG LYS 29 -13.503 -1.725 0.590
49 2HG LYS 29 2HG LYS 29 -12.891 -1.996 -1.035
50 1HD LYS 29 1HD LYS 29 -15.136 -2.910 -0.790
51 2HD LYS 29 2HD LYS 29 -13.996 -4.225 -1.090
52 1HE LYS 29 1HE LYS 29 -13.957 -4.760 1.336
53 2HE LYS 29 2HE LYS 29 -15.033 -3.395 1.663
54 1HZ LYS 29 1HZ LYS 29 -15.745 -5.768 0.017
55 2HZ LYS 29 2HZ LYS 29 -16.258 -5.485 1.539
56 3HZ LYS 29 3HZ LYS 29 -16.741 -4.507 0.328
57 HA PRO 30 HA PRO 30 -9.287 -3.662 -4.238
58 1HB PRO 30 2HB PRO 30 -12.012 -3.786 -5.540
59 2HB PRO 30 1HB PRO 30 -10.433 -4.361 -6.168
60 1HG PRO 30 1HG PRO 30 -12.153 -6.117 -5.054
61 2HG PRO 30 2HG PRO 30 -10.411 -6.194 -4.628
62 1HD PRO 30 1HD PRO 30 -12.686 -4.990 -3.049
63 2HD PRO 30 2HD PRO 30 -11.308 -5.983 -2.488
64 H GLY 31 H GLY 31 -12.281 -1.905 -3.467
65 1HA GLY 31 2HA GLY 31 -13.040 0.214 -3.919
66 2HA GLY 31 1HA GLY 31 -11.853 0.329 -5.216
67 H HIS 32 H HIS 32 -9.521 -0.028 -3.468
68 HA HIS 32 HA HIS 32 -9.584 2.441 -1.806
69 1HB HIS 32 1HB HIS 32 -8.061 -0.129 -1.642
70 2HB HIS 32 2HB HIS 32 -7.256 1.338 -1.096
71 HD1 HIS 32 HD1 HIS 32 -10.634 -0.441 -0.412
72 HD2 HIS 32 HD2 HIS 32 -7.698 1.980 1.353
73 HE1 HIS 32 HE1 HIS 32 -11.328 -0.143 2.041
74 H LEU 33 H LEU 33 -7.786 3.732 -1.700
75 HA LEU 33 HA LEU 33 -5.977 4.197 -3.951
76 1HB LEU 33 1HB LEU 33 -8.230 6.106 -3.118
77 2HB LEU 33 2HB LEU 33 -6.876 6.578 -4.133
78 HG LEU 33 HG LEU 33 -8.986 4.522 -4.915
79 1HD1 LEU 33 2HD1 LEU 33 -9.890 6.798 -4.740
80 2HD1 LEU 33 3HD1 LEU 33 -8.587 7.410 -5.783
81 3HD1 LEU 33 1HD1 LEU 33 -9.793 6.273 -6.428
82 1HD2 LEU 33 1HD2 LEU 33 -6.752 5.840 -6.532
83 2HD2 LEU 33 2HD2 LEU 33 -6.823 4.125 -6.065
84 3HD2 LEU 33 3HD2 LEU 33 -8.023 4.782 -7.184
85 H SER 34 H SER 34 -4.564 6.122 -3.309
86 HA SER 34 HA SER 34 -3.603 6.137 -0.664
87 1HB SER 34 1HB SER 34 -3.456 8.353 -2.736
88 2HB SER 34 2HB SER 34 -2.389 8.160 -1.333
89 HG SER 34 HG SER 34 -1.606 7.300 -3.417
90 H SER 35 H SER 35 -6.501 7.624 -1.754
91 HA SER 35 HA SER 35 -6.700 9.481 0.560
92 1HB SER 35 1HB SER 35 -8.701 10.306 -0.672
93 2HB SER 35 2HB SER 35 -7.198 10.440 -1.601
94 HG SER 35 HG SER 35 -8.937 9.556 -2.842
95 H GLN 36 H GLN 36 -7.616 6.290 -0.261
96 HA GLN 36 HA GLN 36 -10.104 6.280 1.363
97 1HB GLN 36 1HB GLN 36 -9.724 5.051 -0.915
98 2HB GLN 36 2HB GLN 36 -8.766 3.916 0.025
99 1HG GLN 36 1HG GLN 36 -10.871 2.904 -0.015
100 2HG GLN 36 2HG GLN 36 -10.910 3.715 1.543
101 1HE2 GLN 36 2HE2 GLN 36 -12.282 3.554 -1.715
102 2HE2 GLN 36 1HE2 GLN 36 -13.506 4.789 -1.435
103 H CYS 37 H CYS 37 -6.855 4.859 1.288
104 HA CYS 37 HA CYS 37 -6.562 5.075 4.189
105 1HB CYS 37 1HB CYS 37 -6.052 2.468 2.667
106 2HB CYS 37 2HB CYS 37 -5.265 2.856 4.186
107 H ARG 38 H ARG 38 -4.136 4.936 4.679
108 HA ARG 38 HA ARG 38 -2.738 6.749 3.076
109 1HB ARG 38 1HB ARG 38 -0.916 6.544 4.467
110 2HB ARG 38 2HB ARG 38 -2.266 6.148 5.513
111 1HG ARG 38 1HG ARG 38 -0.432 4.094 4.172
112 2HG ARG 38 2HG ARG 38 -0.170 4.746 5.768
113 1HD ARG 38 1HD ARG 38 -2.757 3.305 5.068
114 2HD ARG 38 2HD ARG 38 -1.325 2.432 5.545
115 HE ARG 38 HE ARG 38 -3.036 4.042 7.279
116 1HH1 ARG 38 1HH1 ARG 38 0.186 2.660 6.997
117 2HH1 ARG 38 2HH1 ARG 38 0.427 2.682 8.730
118 1HH2 ARG 38 2HH2 ARG 38 -2.642 4.035 9.463
119 2HH2 ARG 38 1HH2 ARG 38 -1.130 3.440 10.079
120 H ALA 39 H ALA 39 -2.828 3.302 2.503
121 HA ALA 39 HA ALA 39 -1.353 3.646 0.024
122 1HB ALA 39 3HB ALA 39 0.527 3.407 1.621
123 2HB ALA 39 1HB ALA 39 -0.203 1.921 2.275
124 3HB ALA 39 2HB ALA 39 0.407 1.956 0.611
125 HA PRO 40 HA PRO 40 -3.602 -0.261 -0.851
126 1HB PRO 40 2HB PRO 40 -2.486 -0.933 -3.226
127 2HB PRO 40 1HB PRO 40 -3.573 0.482 -3.074
128 1HG PRO 40 1HG PRO 40 -0.536 0.447 -3.067
129 2HG PRO 40 2HG PRO 40 -1.626 1.497 -4.026
130 1HD PRO 40 1HD PRO 40 -0.488 2.270 -1.643
131 2HD PRO 40 2HD PRO 40 -2.091 2.856 -2.177
132 H LYS 41 H LYS 41 -2.909 -2.565 -1.370
133 HA LYS 41 HA LYS 41 -1.158 -3.544 0.574
134 1HB LYS 41 1HB LYS 41 -3.136 -4.667 -0.682
135 2HB LYS 41 2HB LYS 41 -1.972 -5.087 -1.921
136 1HG LYS 41 1HG LYS 41 -2.430 -6.942 -0.383
137 2HG LYS 41 2HG LYS 41 -0.729 -6.489 -0.311
138 1HD LYS 41 1HD LYS 41 -1.060 -5.329 1.806
139 2HD LYS 41 2HD LYS 41 -2.826 -5.516 1.674
140 1HE LYS 41 1HE LYS 41 -2.649 -7.918 1.925
141 2HE LYS 41 2HE LYS 41 -0.880 -7.839 1.919
142 1HZ LYS 41 1HZ LYS 41 -2.546 -6.452 3.960
143 2HZ LYS 41 2HZ LYS 41 -1.898 -7.942 4.191
144 3HZ LYS 41 3HZ LYS 41 -0.931 -6.642 3.987
145 H VAL 42 H VAL 42 -0.123 -2.378 -2.418
146 HA VAL 42 HA VAL 42 2.369 -3.677 -2.841
147 HB VAL 42 HB VAL 42 1.673 -0.722 -3.127
148 1HG1 VAL 42 2HG1 VAL 42 3.854 -2.383 -4.455
149 2HG1 VAL 42 3HG1 VAL 42 3.411 -0.723 -4.915
150 3HG1 VAL 42 1HG1 VAL 42 4.090 -1.034 -3.320
151 1HG2 VAL 42 2HG2 VAL 42 1.434 -3.007 -5.135
152 2HG2 VAL 42 3HG2 VAL 42 0.085 -2.093 -4.423
153 3HG2 VAL 42 1HG2 VAL 42 1.211 -1.284 -5.508
154 H CYS 43 H CYS 43 1.391 -1.390 -0.333
155 HA CYS 43 HA CYS 43 3.999 -1.591 1.060
156 1HB CYS 43 1HB CYS 43 3.977 0.301 -0.631
157 2HB CYS 43 2HB CYS 43 2.665 1.045 0.294
158 H PHE 44 H PHE 44 3.455 0.359 2.894
159 HA PHE 44 HA PHE 44 0.759 0.015 4.077
160 1HB PHE 44 1HB PHE 44 1.531 -0.469 6.242
161 2HB PHE 44 2HB PHE 44 2.406 -1.576 5.201
162 HD1 PHE 44 HD1 PHE 44 2.649 1.132 7.619
163 HD2 PHE 44 HD2 PHE 44 4.868 -1.038 4.623
164 HE1 PHE 44 HE1 PHE 44 4.773 2.030 8.542
165 HE2 PHE 44 HE2 PHE 44 6.988 -0.140 5.550
166 HZ PHE 44 HZ PHE 44 6.946 1.400 7.503
167 H LYS 45 H LYS 45 3.227 2.112 3.079
168 HA LYS 45 HA LYS 45 1.887 4.487 4.112
169 1HB LYS 45 1HB LYS 45 3.184 3.785 6.117
170 2HB LYS 45 2HB LYS 45 4.657 3.741 5.170
171 1HG LYS 45 1HG LYS 45 4.618 5.720 6.521
172 2HG LYS 45 2HG LYS 45 4.509 6.207 4.832
173 1HD LYS 45 1HD LYS 45 2.081 6.608 5.076
174 2HD LYS 45 2HD LYS 45 2.135 5.986 6.744
175 1HE LYS 45 1HE LYS 45 3.749 7.792 7.342
176 2HE LYS 45 2HE LYS 45 3.652 8.422 5.694
177 1HZ LYS 45 3HZ LYS 45 1.370 8.262 7.596
178 2HZ LYS 45 1HZ LYS 45 2.172 9.623 7.201
179 3HZ LYS 45 2HZ LYS 45 1.280 8.856 6.073
180 H CYS 46 H CYS 46 5.183 3.588 3.030
181 HA CYS 46 HA CYS 46 5.646 6.050 1.762
182 1HB CYS 46 1HB CYS 46 7.650 4.347 0.866
183 2HB CYS 46 2HB CYS 46 7.657 5.340 2.312
184 H LYS 47 H LYS 47 4.642 2.994 0.336
185 HA LYS 47 HA LYS 47 4.100 2.337 -1.789
186 1HB LYS 47 1HB LYS 47 2.120 3.522 -2.564
187 2HB LYS 47 2HB LYS 47 2.137 3.307 -0.818
188 1HG LYS 47 1HG LYS 47 2.861 5.637 -0.503
189 2HG LYS 47 2HG LYS 47 2.891 5.896 -2.251
190 1HD LYS 47 1HD LYS 47 0.502 5.648 -2.395
191 2HD LYS 47 2HD LYS 47 0.381 5.055 -0.730
192 1HE LYS 47 1HE LYS 47 1.460 7.815 -1.454
193 2HE LYS 47 2HE LYS 47 -0.246 7.507 -1.101
194 1HZ LYS 47 3HZ LYS 47 1.934 6.882 0.829
195 2HZ LYS 47 1HZ LYS 47 1.012 8.244 0.879
196 3HZ LYS 47 2HZ LYS 47 0.328 6.766 1.084
197 H GLN 48 H GLN 48 6.619 3.974 -2.030
198 HA GLN 48 HA GLN 48 6.488 5.341 -4.543
199 1HB GLN 48 1HB GLN 48 8.883 4.075 -3.154
200 2HB GLN 48 2HB GLN 48 8.973 5.207 -4.494
201 1HG GLN 48 1HG GLN 48 7.952 5.785 -1.687
202 2HG GLN 48 2HG GLN 48 9.434 6.365 -2.421
203 1HE2 GLN 48 2HE2 GLN 48 6.113 7.091 -1.908
204 2HE2 GLN 48 1HE2 GLN 48 6.043 8.484 -2.995
205 HA PRO 49 HA PRO 49 6.028 2.527 -7.671
206 1HB PRO 49 2HB PRO 49 8.614 3.435 -8.954
207 2HB PRO 49 1HB PRO 49 7.013 3.178 -9.718
208 1HG PRO 49 1HG PRO 49 7.775 5.669 -9.028
209 2HG PRO 49 2HG PRO 49 6.110 5.117 -8.650
210 1HD PRO 49 1HD PRO 49 8.496 5.318 -6.814
211 2HD PRO 49 2HD PRO 49 6.786 5.745 -6.520
212 H GLY 50 H GLY 50 9.280 2.046 -6.342
213 1HA GLY 50 2HA GLY 50 10.419 -0.049 -7.524
214 2HA GLY 50 1HA GLY 50 9.017 -0.881 -6.850
215 H HIS 51 H HIS 51 9.632 1.366 -4.539
216 HA HIS 51 HA HIS 51 12.031 0.499 -3.287
217 1HB HIS 51 1HB HIS 51 11.402 1.871 -1.506
218 2HB HIS 51 2HB HIS 51 10.673 2.647 -2.900
219 HD1 HIS 51 HD1 HIS 51 7.807 1.657 -3.133
220 HD2 HIS 51 HD2 HIS 51 9.901 1.528 0.527
221 HE1 HIS 51 HE1 HIS 51 6.089 1.175 -1.332
222 H PHE 52 H PHE 52 8.786 -0.835 -3.119
223 HA PHE 52 HA PHE 52 8.820 -1.926 -0.559
224 1HB PHE 52 1HB PHE 52 6.934 -3.360 -1.389
225 2HB PHE 52 2HB PHE 52 6.766 -1.635 -1.636
226 HD1 PHE 52 HD1 PHE 52 7.261 -4.889 -3.338
227 HD2 PHE 52 HD2 PHE 52 6.739 -0.638 -3.872
228 HE1 PHE 52 HE1 PHE 52 6.838 -5.237 -5.758
229 HE2 PHE 52 HE2 PHE 52 6.312 -0.996 -6.283
230 HZ PHE 52 HZ PHE 52 6.368 -3.291 -7.236
231 H SER 53 H SER 53 9.795 -3.609 -3.590
232 HA SER 53 HA SER 53 10.410 -6.116 -2.464
233 1HB SER 53 1HB SER 53 11.777 -4.717 -4.792
234 2HB SER 53 2HB SER 53 11.793 -6.461 -4.456
235 HG SER 53 HG SER 53 10.188 -5.891 -5.997
236 H LYS 54 H LYS 54 11.965 -3.245 -1.647
237 HA LYS 54 HA LYS 54 14.374 -4.661 -0.590
238 1HB LYS 54 1HB LYS 54 14.315 -1.821 -1.707
239 2HB LYS 54 2HB LYS 54 15.699 -2.676 -1.043
240 1HG LYS 54 1HG LYS 54 16.190 -3.063 -3.207
241 2HG LYS 54 2HG LYS 54 15.145 -4.444 -2.964
242 1HD LYS 54 1HD LYS 54 14.462 -3.486 -5.033
243 2HD LYS 54 2HD LYS 54 13.219 -3.011 -3.890
244 1HE LYS 54 1HE LYS 54 13.645 -1.095 -5.185
245 2HE LYS 54 2HE LYS 54 14.398 -0.781 -3.619
246 1HZ LYS 54 2HZ LYS 54 15.831 -1.697 -6.066
247 2HZ LYS 54 3HZ LYS 54 15.861 -0.179 -5.475
248 3HZ LYS 54 1HZ LYS 54 16.549 -1.391 -4.630
249 H GLN 55 H GLN 55 11.584 -3.453 0.477
250 HA GLN 55 HA GLN 55 12.731 -2.783 3.096
251 1HB GLN 55 1HB GLN 55 12.686 -0.595 1.822
252 2HB GLN 55 2HB GLN 55 10.931 -0.745 1.716
253 1HG GLN 55 1HG GLN 55 10.897 -0.847 4.276
254 2HG GLN 55 2HG GLN 55 12.629 -0.501 4.246
255 1HE2 GLN 55 1HE2 GLN 55 9.394 0.769 3.562
256 2HE2 GLN 55 2HE2 GLN 55 9.872 2.458 3.494
257 H CYS 56 H CYS 56 9.598 -2.598 1.330
258 HA CYS 56 HA CYS 56 8.153 -3.369 3.773
259 1HB CYS 56 1HB CYS 56 7.162 -2.273 1.109
260 2HB CYS 56 2HB CYS 56 6.226 -2.433 2.599
261 H ARG 57 H ARG 57 9.268 -5.005 1.089
262 HA ARG 57 HA ARG 57 7.559 -7.366 1.536
263 1HB ARG 57 1HB ARG 57 6.745 -5.612 -0.355
264 2HB ARG 57 2HB ARG 57 7.984 -6.388 -1.312
265 1HG ARG 57 1HG ARG 57 5.720 -7.311 -1.681
266 2HG ARG 57 2HG ARG 57 6.833 -8.551 -1.116
267 1HD ARG 57 1HD ARG 57 4.535 -8.647 -0.076
268 2HD ARG 57 2HD ARG 57 5.856 -8.584 1.072
269 HE ARG 57 HE ARG 57 5.298 -6.371 1.693
270 1HH1 ARG 57 1HH2 ARG 57 3.094 -7.386 -0.866
271 2HH1 ARG 57 2HH2 ARG 57 2.058 -5.995 -0.571
272 1HH2 ARG 57 2HH1 ARG 57 3.883 -4.704 1.970
273 2HH2 ARG 57 1HH1 ARG 57 2.474 -4.582 0.924
274 H SER 58 H SER 58 10.457 -6.542 1.839
275 HA SER 58 HA SER 58 12.265 -7.737 0.108
276 1HB SER 58 1HB SER 58 12.423 -7.683 3.142
277 2HB SER 58 2HB SER 58 13.780 -7.853 2.012
278 HG SER 58 HG SER 58 13.480 -5.665 2.715
No H/Q in entry = 278
Start of MODEL 17
1 H1 GLN 22 H2 GLN 22 -8.071 -0.673 -6.214
2 H2 GLN 22 H1 GLN 22 -7.267 0.655 -5.694
3 H3 GLN 22 H3 GLN 22 -7.085 0.151 -7.249
4 HA GLN 22 HA GLN 22 -6.037 -1.906 -6.495
5 1HB GLN 22 1HB GLN 22 -4.751 0.721 -5.622
6 2HB GLN 22 2HB GLN 22 -3.974 -0.839 -5.398
7 1HG GLN 22 1HG GLN 22 -3.021 -0.075 -7.338
8 2HG GLN 22 2HG GLN 22 -4.199 -1.247 -7.906
9 1HE2 GLN 22 1HE2 GLN 22 -2.880 1.498 -8.946
10 2HE2 GLN 22 2HE2 GLN 22 -4.295 2.281 -9.638
11 H THR 23 H THR 23 -6.218 -3.417 -4.935
12 HA THR 23 HA THR 23 -7.765 -3.123 -2.715
13 HB THR 23 HB THR 23 -5.518 -5.147 -2.908
14 HG1 THR 23 HG1 THR 23 -7.037 -6.332 -4.147
15 1HG2 THR 23 1HG2 THR 23 -8.355 -5.318 -1.791
16 2HG2 THR 23 2HG2 THR 23 -7.205 -6.667 -1.892
17 3HG2 THR 23 3HG2 THR 23 -6.858 -5.302 -0.825
18 H CYS 24 H CYS 24 -7.639 -2.586 -0.629
19 HA CYS 24 HA CYS 24 -5.658 -0.964 0.449
20 1HB CYS 24 1HB CYS 24 -8.079 -1.358 1.165
21 2HB CYS 24 2HB CYS 24 -7.514 -2.795 2.005
22 H TYR 25 H TYR 25 -3.984 -1.200 1.914
23 HA TYR 25 HA TYR 25 -2.568 -3.702 2.224
24 1HB TYR 25 1HB TYR 25 -1.004 -2.522 3.397
25 2HB TYR 25 2HB TYR 25 -1.635 -1.281 2.339
26 HD1 TYR 25 HD1 TYR 25 -0.460 -1.793 5.520
27 HD2 TYR 25 HD2 TYR 25 -3.924 -0.089 3.586
28 HE1 TYR 25 HE1 TYR 25 -0.906 -0.399 7.531
29 HE2 TYR 25 HE2 TYR 25 -4.392 1.242 5.611
30 HH TYR 25 HH TYR 25 -2.311 1.126 8.518
31 H ASN 26 H ASN 26 -5.340 -2.506 3.807
32 HA ASN 26 HA ASN 26 -4.996 -4.355 6.152
33 1HB ASN 26 1HB ASN 26 -4.484 -2.076 6.816
34 2HB ASN 26 2HB ASN 26 -5.925 -1.450 6.020
35 1HD2 ASN 26 1HD2 ASN 26 -7.983 -1.651 7.070
36 2HD2 ASN 26 2HD2 ASN 26 -8.068 -2.196 8.738
37 H CYS 27 H CYS 27 -7.440 -2.446 4.319
38 HA CYS 27 HA CYS 27 -9.626 -3.750 5.615
39 1HB CYS 27 1HB CYS 27 -9.608 -1.928 3.172
40 2HB CYS 27 2HB CYS 27 -10.966 -2.237 4.262
41 H GLY 28 H GLY 28 -7.897 -4.624 2.742
42 1HA GLY 28 2HA GLY 28 -9.480 -6.944 2.192
43 2HA GLY 28 1HA GLY 28 -8.160 -6.312 1.212
44 H LYS 29 H LYS 29 -10.210 -3.753 1.249
45 HA LYS 29 HA LYS 29 -12.203 -4.624 -0.758
46 1HB LYS 29 1HB LYS 29 -11.644 -2.118 0.802
47 2HB LYS 29 2HB LYS 29 -12.490 -1.971 -0.731
48 1HG LYS 29 1HG LYS 29 -14.082 -2.030 1.005
49 2HG LYS 29 2HG LYS 29 -14.267 -3.483 0.035
50 1HD LYS 29 1HD LYS 29 -12.655 -3.521 2.611
51 2HD LYS 29 2HD LYS 29 -14.418 -3.575 2.651
52 1HE LYS 29 1HE LYS 29 -14.479 -5.595 1.288
53 2HE LYS 29 2HE LYS 29 -12.723 -5.568 1.099
54 1HZ LYS 29 1HZ LYS 29 -14.133 -5.890 3.691
55 2HZ LYS 29 2HZ LYS 29 -13.382 -7.086 2.869
56 3HZ LYS 29 3HZ LYS 29 -12.505 -5.850 3.494
57 HA PRO 30 HA PRO 30 -9.294 -3.884 -4.172
58 1HB PRO 30 2HB PRO 30 -11.908 -3.877 -5.680
59 2HB PRO 30 1HB PRO 30 -10.355 -4.659 -6.112
60 1HG PRO 30 1HG PRO 30 -12.355 -6.128 -5.042
61 2HG PRO 30 2HG PRO 30 -10.673 -6.358 -4.458
62 1HD PRO 30 1HD PRO 30 -12.905 -4.763 -3.182
63 2HD PRO 30 2HD PRO 30 -11.739 -5.893 -2.432
64 H GLY 31 H GLY 31 -12.212 -1.906 -3.692
65 1HA GLY 31 2HA GLY 31 -12.811 0.218 -4.333
66 2HA GLY 31 1HA GLY 31 -11.521 0.193 -5.533
67 H HIS 32 H HIS 32 -9.540 -0.316 -3.199
68 HA HIS 32 HA HIS 32 -9.516 2.296 -1.849
69 1HB HIS 32 1HB HIS 32 -8.012 -0.274 -1.589
70 2HB HIS 32 2HB HIS 32 -7.181 1.198 -1.104
71 HD1 HIS 32 HD1 HIS 32 -10.666 -0.375 -0.380
72 HD2 HIS 32 HD2 HIS 32 -7.582 1.895 1.327
73 HE1 HIS 32 HE1 HIS 32 -11.338 0.027 2.063
74 H LEU 33 H LEU 33 -7.566 3.524 -1.751
75 HA LEU 33 HA LEU 33 -5.986 3.946 -4.190
76 1HB LEU 33 1HB LEU 33 -8.086 5.901 -3.108
77 2HB LEU 33 2HB LEU 33 -6.824 6.371 -4.231
78 HG LEU 33 HG LEU 33 -9.020 4.359 -4.863
79 1HD1 LEU 33 1HD1 LEU 33 -9.867 6.648 -4.582
80 2HD1 LEU 33 2HD1 LEU 33 -8.641 7.255 -5.715
81 3HD1 LEU 33 3HD1 LEU 33 -9.915 6.152 -6.281
82 1HD2 LEU 33 2HD2 LEU 33 -6.896 5.664 -6.633
83 2HD2 LEU 33 3HD2 LEU 33 -6.979 3.940 -6.204
84 3HD2 LEU 33 1HD2 LEU 33 -8.243 4.657 -7.206
85 H SER 34 H SER 34 -4.559 5.880 -3.802
86 HA SER 34 HA SER 34 -3.010 5.778 -1.466
87 1HB SER 34 1HB SER 34 -2.412 6.673 -3.739
88 2HB SER 34 2HB SER 34 -3.338 8.137 -3.356
89 HG SER 34 HG SER 34 -1.121 8.388 -2.908
90 H SER 35 H SER 35 -6.034 7.424 -1.829
91 HA SER 35 HA SER 35 -5.683 8.939 0.721
92 1HB SER 35 1HB SER 35 -7.506 10.368 -0.159
93 2HB SER 35 2HB SER 35 -6.074 10.360 -1.203
94 HG SER 35 HG SER 35 -8.044 10.095 -2.389
95 H GLN 36 H GLN 36 -7.205 6.133 -0.454
96 HA GLN 36 HA GLN 36 -9.677 6.344 1.131
97 1HB GLN 36 1HB GLN 36 -9.283 5.010 -1.081
98 2HB GLN 36 2HB GLN 36 -8.489 3.824 -0.052
99 1HG GLN 36 1HG GLN 36 -10.665 2.988 -0.132
100 2HG GLN 36 2HG GLN 36 -10.754 3.932 1.341
101 1HE2 GLN 36 1HE2 GLN 36 -11.820 3.674 -2.058
102 2HE2 GLN 36 2HE2 GLN 36 -12.970 4.995 -1.940
103 H CYS 37 H CYS 37 -6.526 4.775 1.344
104 HA CYS 37 HA CYS 37 -6.529 4.926 4.254
105 1HB CYS 37 1HB CYS 37 -6.110 2.321 2.732
106 2HB CYS 37 2HB CYS 37 -5.255 2.622 4.222
107 H ARG 38 H ARG 38 -4.114 4.303 4.931
108 HA ARG 38 HA ARG 38 -2.369 6.249 3.883
109 1HB ARG 38 1HB ARG 38 -1.715 3.686 5.408
110 2HB ARG 38 2HB ARG 38 -0.556 4.944 5.014
111 1HG ARG 38 1HG ARG 38 -0.997 5.620 7.079
112 2HG ARG 38 2HG ARG 38 -2.244 6.558 6.277
113 1HD ARG 38 1HD ARG 38 -2.769 3.801 7.463
114 2HD ARG 38 2HD ARG 38 -2.756 5.238 8.470
115 HE ARG 38 HE ARG 38 -4.558 6.171 6.965
116 1HH1 ARG 38 1HH1 ARG 38 -4.378 2.692 7.570
117 2HH1 ARG 38 2HH1 ARG 38 -6.090 2.511 7.279
118 1HH2 ARG 38 2HH2 ARG 38 -6.732 5.807 6.699
119 2HH2 ARG 38 1HH2 ARG 38 -7.323 4.170 6.673
120 H ALA 39 H ALA 39 -2.598 2.835 2.876
121 HA ALA 39 HA ALA 39 -1.489 3.533 0.279
122 1HB ALA 39 3HB ALA 39 -0.034 1.536 2.077
123 2HB ALA 39 1HB ALA 39 0.367 1.869 0.388
124 3HB ALA 39 2HB ALA 39 0.591 3.136 1.606
125 HA PRO 40 HA PRO 40 -3.690 -0.412 -0.715
126 1HB PRO 40 2HB PRO 40 -2.613 -1.021 -3.134
127 2HB PRO 40 1HB PRO 40 -3.754 0.342 -2.924
128 1HG PRO 40 1HG PRO 40 -0.722 0.455 -3.005
129 2HG PRO 40 2HG PRO 40 -1.889 1.458 -3.923
130 1HD PRO 40 1HD PRO 40 -0.729 2.287 -1.581
131 2HD PRO 40 2HD PRO 40 -2.392 2.761 -2.034
132 H LYS 41 H LYS 41 -2.950 -2.706 -1.191
133 HA LYS 41 HA LYS 41 -1.040 -3.578 0.687
134 1HB LYS 41 1HB LYS 41 -1.476 -5.805 -0.089
135 2HB LYS 41 2HB LYS 41 -2.977 -4.892 -0.068
136 1HG LYS 41 1HG LYS 41 -2.865 -4.601 -2.529
137 2HG LYS 41 2HG LYS 41 -1.318 -5.468 -2.566
138 1HD LYS 41 1HD LYS 41 -2.416 -7.485 -1.628
139 2HD LYS 41 2HD LYS 41 -3.973 -6.631 -1.608
140 1HE LYS 41 1HE LYS 41 -3.868 -6.360 -4.068
141 2HE LYS 41 2HE LYS 41 -2.280 -7.137 -4.101
142 1HZ LYS 41 1HZ LYS 41 -4.788 -8.473 -3.215
143 2HZ LYS 41 2HZ LYS 41 -4.053 -8.706 -4.654
144 3HZ LYS 41 3HZ LYS 41 -3.315 -9.175 -3.278
145 H VAL 42 H VAL 42 -0.161 -2.289 -2.226
146 HA VAL 42 HA VAL 42 2.342 -3.591 -2.798
147 HB VAL 42 HB VAL 42 1.533 -0.660 -3.031
148 1HG1 VAL 42 3HG1 VAL 42 3.766 -2.210 -4.398
149 2HG1 VAL 42 1HG1 VAL 42 3.260 -0.557 -4.818
150 3HG1 VAL 42 2HG1 VAL 42 3.958 -0.879 -3.232
151 1HG2 VAL 42 2HG2 VAL 42 1.382 -2.920 -5.075
152 2HG2 VAL 42 3HG2 VAL 42 -0.002 -2.082 -4.339
153 3HG2 VAL 42 1HG2 VAL 42 1.078 -1.204 -5.416
154 H CYS 43 H CYS 43 1.335 -1.292 -0.280
155 HA CYS 43 HA CYS 43 3.952 -1.479 1.104
156 1HB CYS 43 1HB CYS 43 3.976 0.357 -0.638
157 2HB CYS 43 2HB CYS 43 2.678 1.160 0.252
158 H PHE 44 H PHE 44 3.324 0.690 2.782
159 HA PHE 44 HA PHE 44 0.693 0.238 4.056
160 1HB PHE 44 1HB PHE 44 1.513 -0.086 6.229
161 2HB PHE 44 2HB PHE 44 2.433 -1.199 5.238
162 HD1 PHE 44 HD1 PHE 44 2.561 1.592 7.547
163 HD2 PHE 44 HD2 PHE 44 4.854 -0.521 4.562
164 HE1 PHE 44 HE1 PHE 44 4.643 2.637 8.405
165 HE2 PHE 44 HE2 PHE 44 6.930 0.534 5.420
166 HZ PHE 44 HZ PHE 44 6.830 2.116 7.336
167 H LYS 45 H LYS 45 3.345 2.358 3.246
168 HA LYS 45 HA LYS 45 1.782 4.744 3.949
169 1HB LYS 45 1HB LYS 45 2.844 4.167 6.106
170 2HB LYS 45 2HB LYS 45 4.422 4.085 5.336
171 1HG LYS 45 1HG LYS 45 4.207 6.128 6.596
172 2HG LYS 45 2HG LYS 45 4.350 6.517 4.885
173 1HD LYS 45 1HD LYS 45 1.904 6.923 4.756
174 2HD LYS 45 2HD LYS 45 1.733 6.444 6.463
175 1HE LYS 45 1HE LYS 45 3.279 8.292 7.112
176 2HE LYS 45 2HE LYS 45 3.416 8.771 5.416
177 1HZ LYS 45 2HZ LYS 45 1.020 9.243 5.427
178 2HZ LYS 45 3HZ LYS 45 0.899 8.803 7.000
179 3HZ LYS 45 1HZ LYS 45 1.768 10.116 6.582
180 H CYS 46 H CYS 46 5.165 3.792 3.126
181 HA CYS 46 HA CYS 46 5.739 6.239 1.864
182 1HB CYS 46 1HB CYS 46 7.720 4.505 1.005
183 2HB CYS 46 2HB CYS 46 7.710 5.474 2.469
184 H LYS 47 H LYS 47 4.663 3.221 0.423
185 HA LYS 47 HA LYS 47 4.096 2.606 -1.710
186 1HB LYS 47 1HB LYS 47 2.078 3.773 -2.357
187 2HB LYS 47 2HB LYS 47 2.202 3.547 -0.621
188 1HG LYS 47 1HG LYS 47 3.032 5.964 -0.464
189 2HG LYS 47 2HG LYS 47 2.589 6.151 -2.160
190 1HD LYS 47 1HD LYS 47 0.257 5.793 -1.649
191 2HD LYS 47 2HD LYS 47 0.646 5.156 -0.034
192 1HE LYS 47 1HE LYS 47 1.593 7.354 0.618
193 2HE LYS 47 2HE LYS 47 1.123 8.022 -0.955
194 1HZ LYS 47 2HZ LYS 47 -0.777 6.856 1.008
195 2HZ LYS 47 3HZ LYS 47 -0.525 8.467 0.814
196 3HZ LYS 47 1HZ LYS 47 -1.176 7.604 -0.409
197 H GLN 48 H GLN 48 6.626 4.117 -2.017
198 HA GLN 48 HA GLN 48 6.463 5.542 -4.509
199 1HB GLN 48 1HB GLN 48 8.860 4.184 -3.212
200 2HB GLN 48 2HB GLN 48 8.938 5.330 -4.539
201 1HG GLN 48 1HG GLN 48 8.040 5.904 -1.690
202 2HG GLN 48 2HG GLN 48 9.512 6.445 -2.472
203 1HE2 GLN 48 2HE2 GLN 48 6.244 7.277 -1.821
204 2HE2 GLN 48 1HE2 GLN 48 6.177 8.682 -2.893
205 HA PRO 49 HA PRO 49 5.884 2.704 -7.634
206 1HB PRO 49 2HB PRO 49 8.423 3.627 -8.994
207 2HB PRO 49 1HB PRO 49 6.796 3.377 -9.703
208 1HG PRO 49 1HG PRO 49 7.589 5.862 -9.028
209 2HG PRO 49 2HG PRO 49 5.937 5.313 -8.593
210 1HD PRO 49 1HD PRO 49 8.388 5.482 -6.842
211 2HD PRO 49 2HD PRO 49 6.697 5.934 -6.490
212 H GLY 50 H GLY 50 9.101 2.175 -6.286
213 1HA GLY 50 2HA GLY 50 10.268 0.136 -7.556
214 2HA GLY 50 1HA GLY 50 8.861 -0.724 -6.939
215 H HIS 51 H HIS 51 9.617 1.515 -4.579
216 HA HIS 51 HA HIS 51 11.939 0.481 -3.343
217 1HB HIS 51 1HB HIS 51 11.397 1.887 -1.555
218 2HB HIS 51 2HB HIS 51 10.704 2.705 -2.942
219 HD1 HIS 51 HD1 HIS 51 7.785 1.791 -3.160
220 HD2 HIS 51 HD2 HIS 51 9.895 1.732 0.493
221 HE1 HIS 51 HE1 HIS 51 6.063 1.444 -1.333
222 H PHE 52 H PHE 52 8.654 -0.716 -3.202
223 HA PHE 52 HA PHE 52 8.607 -1.799 -0.622
224 1HB PHE 52 1HB PHE 52 6.666 -3.136 -1.518
225 2HB PHE 52 2HB PHE 52 6.579 -1.398 -1.701
226 HD1 PHE 52 HD1 PHE 52 6.997 -4.610 -3.523
227 HD2 PHE 52 HD2 PHE 52 6.565 -0.330 -3.890
228 HE1 PHE 52 HE1 PHE 52 6.579 -4.853 -5.956
229 HE2 PHE 52 HE2 PHE 52 6.130 -0.585 -6.311
230 HZ PHE 52 HZ PHE 52 6.150 -2.841 -7.358
231 H SER 53 H SER 53 9.534 -3.480 -3.657
232 HA SER 53 HA SER 53 10.012 -6.046 -2.552
233 1HB SER 53 1HB SER 53 11.403 -4.689 -4.894
234 2HB SER 53 2HB SER 53 11.344 -6.434 -4.576
235 HG SER 53 HG SER 53 9.749 -5.780 -6.090
236 H LYS 54 H LYS 54 11.674 -3.262 -1.729
237 HA LYS 54 HA LYS 54 14.152 -4.717 -0.892
238 1HB LYS 54 1HB LYS 54 13.958 -1.858 -1.938
239 2HB LYS 54 2HB LYS 54 15.428 -2.710 -1.456
240 1HG LYS 54 1HG LYS 54 15.074 -4.348 -3.311
241 2HG LYS 54 2HG LYS 54 13.650 -3.422 -3.831
242 1HD LYS 54 1HD LYS 54 15.083 -1.413 -4.158
243 2HD LYS 54 2HD LYS 54 16.511 -2.386 -3.728
244 1HE LYS 54 1HE LYS 54 15.994 -3.945 -5.604
245 2HE LYS 54 2HE LYS 54 14.582 -2.968 -6.027
246 1HZ LYS 54 1HZ LYS 54 16.094 -1.105 -6.482
247 2HZ LYS 54 2HZ LYS 54 17.398 -2.016 -6.101
248 3HZ LYS 54 3HZ LYS 54 16.494 -2.391 -7.404
249 H GLN 55 H GLN 55 11.458 -3.432 0.386
250 HA GLN 55 HA GLN 55 12.762 -2.872 2.952
251 1HB GLN 55 1HB GLN 55 12.834 -0.664 1.787
252 2HB GLN 55 2HB GLN 55 11.080 -0.703 1.613
253 1HG GLN 55 1HG GLN 55 10.887 -0.779 4.134
254 2HG GLN 55 2HG GLN 55 12.648 -0.665 4.235
255 1HE2 GLN 55 1HE2 GLN 55 9.666 1.066 3.407
256 2HE2 GLN 55 2HE2 GLN 55 10.399 2.667 3.408
257 H CYS 56 H CYS 56 9.547 -2.244 1.453
258 HA CYS 56 HA CYS 56 8.251 -2.929 3.941
259 1HB CYS 56 1HB CYS 56 7.132 -1.965 1.273
260 2HB CYS 56 2HB CYS 56 6.290 -1.959 2.830
261 H ARG 57 H ARG 57 8.753 -4.679 1.017
262 HA ARG 57 HA ARG 57 6.829 -6.828 1.765
263 1HB ARG 57 1HB ARG 57 6.195 -4.865 -0.098
264 2HB ARG 57 2HB ARG 57 6.971 -6.043 -1.129
265 1HG ARG 57 1HG ARG 57 4.924 -7.005 -1.240
266 2HG ARG 57 2HG ARG 57 5.267 -7.671 0.352
267 1HD ARG 57 1HD ARG 57 3.692 -5.169 -0.357
268 2HD ARG 57 2HD ARG 57 3.079 -6.644 0.400
269 HE ARG 57 HE ARG 57 5.097 -5.521 2.092
270 1HH1 ARG 57 1HH1 ARG 57 1.885 -4.630 1.042
271 2HH1 ARG 57 2HH1 ARG 57 1.709 -3.464 2.331
272 1HH2 ARG 57 1HH2 ARG 57 4.764 -4.196 3.739
273 2HH2 ARG 57 2HH2 ARG 57 3.212 -3.407 3.974
274 H SER 58 H SER 58 9.878 -6.388 1.520
275 HA SER 58 HA SER 58 11.180 -7.816 -0.422
276 1HB SER 58 1HB SER 58 11.844 -7.880 2.540
277 2HB SER 58 2HB SER 58 12.960 -8.146 1.188
278 HG SER 58 HG SER 58 13.021 -5.973 2.012
No H/Q in entry = 278
Start of MODEL 18
1 H1 GLN 22 H2 GLN 22 -8.094 -0.647 -6.230
2 H2 GLN 22 H1 GLN 22 -7.193 0.634 -5.766
3 H3 GLN 22 H3 GLN 22 -7.083 0.068 -7.310
4 HA GLN 22 HA GLN 22 -6.135 -2.014 -6.538
5 1HB GLN 22 1HB GLN 22 -4.685 0.464 -5.498
6 2HB GLN 22 2HB GLN 22 -3.987 -1.158 -5.564
7 1HG GLN 22 1HG GLN 22 -4.312 -1.198 -8.036
8 2HG GLN 22 2HG GLN 22 -4.924 0.460 -7.971
9 1HE2 GLN 22 2HE2 GLN 22 -2.941 0.458 -9.615
10 2HE2 GLN 22 1HE2 GLN 22 -1.421 0.931 -8.864
11 H THR 23 H THR 23 -6.257 -3.523 -4.942
12 HA THR 23 HA THR 23 -7.778 -3.230 -2.685
13 HB THR 23 HB THR 23 -5.477 -5.195 -2.934
14 HG1 THR 23 HG1 THR 23 -6.948 -6.431 -4.107
15 1HG2 THR 23 2HG2 THR 23 -8.245 -5.444 -1.661
16 2HG2 THR 23 3HG2 THR 23 -7.043 -6.743 -1.797
17 3HG2 THR 23 1HG2 THR 23 -6.701 -5.345 -0.774
18 H CYS 24 H CYS 24 -7.595 -2.670 -0.606
19 HA CYS 24 HA CYS 24 -5.607 -0.987 0.383
20 1HB CYS 24 1HB CYS 24 -8.015 -1.385 1.136
21 2HB CYS 24 2HB CYS 24 -7.424 -2.794 2.016
22 H TYR 25 H TYR 25 -3.966 -1.180 1.920
23 HA TYR 25 HA TYR 25 -2.506 -3.665 2.261
24 1HB TYR 25 1HB TYR 25 -0.982 -2.456 3.465
25 2HB TYR 25 2HB TYR 25 -1.590 -1.242 2.360
26 HD1 TYR 25 HD1 TYR 25 -0.516 -1.690 5.596
27 HD2 TYR 25 HD2 TYR 25 -3.908 -0.029 3.509
28 HE1 TYR 25 HE1 TYR 25 -1.010 -0.225 7.547
29 HE2 TYR 25 HE2 TYR 25 -4.437 1.351 5.480
30 HH TYR 25 HH TYR 25 -2.436 1.348 8.439
31 H ASN 26 H ASN 26 -5.294 -2.426 3.805
32 HA ASN 26 HA ASN 26 -4.963 -4.211 6.204
33 1HB ASN 26 1HB ASN 26 -4.422 -1.917 6.785
34 2HB ASN 26 2HB ASN 26 -5.857 -1.301 5.971
35 1HD2 ASN 26 1HD2 ASN 26 -7.915 -1.436 7.033
36 2HD2 ASN 26 2HD2 ASN 26 -8.000 -1.912 8.722
37 H CYS 27 H CYS 27 -7.375 -2.368 4.272
38 HA CYS 27 HA CYS 27 -9.589 -3.587 5.613
39 1HB CYS 27 1HB CYS 27 -9.515 -1.834 3.127
40 2HB CYS 27 2HB CYS 27 -10.898 -2.104 4.193
41 H GLY 28 H GLY 28 -7.773 -4.813 3.022
42 1HA GLY 28 2HA GLY 28 -9.338 -7.096 2.558
43 2HA GLY 28 1HA GLY 28 -8.067 -6.497 1.488
44 H LYS 29 H LYS 29 -9.429 -4.009 0.807
45 HA LYS 29 HA LYS 29 -11.835 -4.939 -0.703
46 1HB LYS 29 1HB LYS 29 -12.178 -3.541 1.396
47 2HB LYS 29 2HB LYS 29 -11.390 -2.227 0.559
48 1HG LYS 29 1HG LYS 29 -13.499 -1.663 -0.032
49 2HG LYS 29 2HG LYS 29 -13.287 -2.847 -1.316
50 1HD LYS 29 1HD LYS 29 -14.621 -3.278 1.395
51 2HD LYS 29 2HD LYS 29 -15.437 -3.131 -0.166
52 1HE LYS 29 1HE LYS 29 -14.348 -5.226 -0.940
53 2HE LYS 29 2HE LYS 29 -13.524 -5.378 0.622
54 1HZ LYS 29 1HZ LYS 29 -16.472 -5.413 0.248
55 2HZ LYS 29 2HZ LYS 29 -15.544 -6.719 0.557
56 3HZ LYS 29 3HZ LYS 29 -15.706 -5.553 1.685
57 HA PRO 30 HA PRO 30 -9.244 -3.842 -4.227
58 1HB PRO 30 2HB PRO 30 -11.947 -3.928 -5.574
59 2HB PRO 30 1HB PRO 30 -10.374 -4.561 -6.157
60 1HG PRO 30 1HG PRO 30 -12.155 -6.240 -5.022
61 2HG PRO 30 2HG PRO 30 -10.423 -6.345 -4.565
62 1HD PRO 30 1HD PRO 30 -12.693 -5.044 -3.058
63 2HD PRO 30 2HD PRO 30 -11.343 -6.050 -2.449
64 H GLY 31 H GLY 31 -12.189 -1.948 -3.574
65 1HA GLY 31 2HA GLY 31 -12.858 0.176 -4.147
66 2HA GLY 31 1HA GLY 31 -11.638 0.187 -5.418
67 H HIS 32 H HIS 32 -9.455 -0.271 -3.346
68 HA HIS 32 HA HIS 32 -9.450 2.299 -1.885
69 1HB HIS 32 1HB HIS 32 -7.999 -0.297 -1.625
70 2HB HIS 32 2HB HIS 32 -7.132 1.155 -1.142
71 HD1 HIS 32 HD1 HIS 32 -10.573 -0.472 -0.380
72 HD2 HIS 32 HD2 HIS 32 -7.588 1.976 1.246
73 HE1 HIS 32 HE1 HIS 32 -11.261 -0.021 2.052
74 H LEU 33 H LEU 33 -7.522 3.511 -1.761
75 HA LEU 33 HA LEU 33 -5.869 3.953 -4.144
76 1HB LEU 33 1HB LEU 33 -7.981 5.916 -3.105
77 2HB LEU 33 2HB LEU 33 -6.700 6.364 -4.217
78 HG LEU 33 HG LEU 33 -8.917 4.377 -4.861
79 1HD1 LEU 33 2HD1 LEU 33 -9.746 6.672 -4.585
80 2HD1 LEU 33 3HD1 LEU 33 -8.511 7.268 -5.714
81 3HD1 LEU 33 1HD1 LEU 33 -9.790 6.173 -6.284
82 1HD2 LEU 33 3HD2 LEU 33 -6.779 5.666 -6.625
83 2HD2 LEU 33 1HD2 LEU 33 -6.862 3.946 -6.183
84 3HD2 LEU 33 2HD2 LEU 33 -8.124 4.654 -7.196
85 H SER 34 H SER 34 -4.420 5.876 -3.671
86 HA SER 34 HA SER 34 -3.142 5.858 -1.122
87 1HB SER 34 1HB SER 34 -2.012 7.911 -2.033
88 2HB SER 34 2HB SER 34 -1.963 6.507 -3.115
89 HG SER 34 HG SER 34 -2.556 8.458 -4.207
90 H SER 35 H SER 35 -6.062 7.436 -2.026
91 HA SER 35 HA SER 35 -6.004 9.268 0.323
92 1HB SER 35 1HB SER 35 -7.960 10.305 -0.791
93 2HB SER 35 2HB SER 35 -6.507 10.315 -1.806
94 HG SER 35 HG SER 35 -8.396 9.627 -2.952
95 H GLN 36 H GLN 36 -7.191 6.176 -0.520
96 HA GLN 36 HA GLN 36 -9.661 6.339 1.104
97 1HB GLN 36 1HB GLN 36 -9.287 5.015 -1.134
98 2HB GLN 36 2HB GLN 36 -8.459 3.846 -0.112
99 1HG GLN 36 1HG GLN 36 -10.629 2.988 -0.163
100 2HG GLN 36 2HG GLN 36 -10.697 3.924 1.319
101 1HE2 GLN 36 1HE2 GLN 36 -11.861 3.640 -2.035
102 2HE2 GLN 36 2HE2 GLN 36 -13.003 4.967 -1.903
103 H CYS 37 H CYS 37 -6.423 4.898 1.218
104 HA CYS 37 HA CYS 37 -6.418 4.951 4.138
105 1HB CYS 37 1HB CYS 37 -6.062 2.411 2.523
106 2HB CYS 37 2HB CYS 37 -5.073 2.646 3.928
107 H ARG 38 H ARG 38 -4.068 4.382 4.868
108 HA ARG 38 HA ARG 38 -2.231 6.279 3.861
109 1HB ARG 38 1HB ARG 38 -1.762 3.749 5.505
110 2HB ARG 38 2HB ARG 38 -0.504 4.897 5.086
111 1HG ARG 38 1HG ARG 38 -0.933 5.749 7.069
112 2HG ARG 38 2HG ARG 38 -2.137 6.686 6.206
113 1HD ARG 38 1HD ARG 38 -2.796 4.036 7.565
114 2HD ARG 38 2HD ARG 38 -2.692 5.527 8.479
115 HE ARG 38 HE ARG 38 -4.488 6.494 7.127
116 1HH1 ARG 38 1HH1 ARG 38 -4.389 2.962 7.231
117 2HH1 ARG 38 2HH1 ARG 38 -6.041 2.866 6.656
118 1HH2 ARG 38 2HH2 ARG 38 -6.642 6.214 6.678
119 2HH2 ARG 38 1HH2 ARG 38 -7.265 4.607 6.431
120 H ALA 39 H ALA 39 -2.588 2.886 2.848
121 HA ALA 39 HA ALA 39 -1.377 3.553 0.305
122 1HB ALA 39 1HB ALA 39 0.675 3.062 1.634
123 2HB ALA 39 2HB ALA 39 -0.021 1.489 2.102
124 3HB ALA 39 3HB ALA 39 0.407 1.805 0.416
125 HA PRO 40 HA PRO 40 -3.672 -0.306 -0.785
126 1HB PRO 40 2HB PRO 40 -2.580 -0.897 -3.202
127 2HB PRO 40 1HB PRO 40 -3.692 0.486 -2.977
128 1HG PRO 40 1HG PRO 40 -0.658 0.530 -3.030
129 2HG PRO 40 2HG PRO 40 -1.793 1.582 -3.933
130 1HD PRO 40 1HD PRO 40 -0.629 2.324 -1.564
131 2HD PRO 40 2HD PRO 40 -2.271 2.860 -2.024
132 H LYS 41 H LYS 41 -2.975 -2.578 -1.364
133 HA LYS 41 HA LYS 41 -1.251 -3.701 0.521
134 1HB LYS 41 1HB LYS 41 -3.222 -4.676 -0.797
135 2HB LYS 41 2HB LYS 41 -2.079 -5.017 -2.095
136 1HG LYS 41 1HG LYS 41 -0.806 -6.505 -0.591
137 2HG LYS 41 2HG LYS 41 -1.847 -6.045 0.775
138 1HD LYS 41 1HD LYS 41 -3.814 -6.977 -0.441
139 2HD LYS 41 2HD LYS 41 -2.760 -7.497 -1.760
140 1HE LYS 41 1HE LYS 41 -2.530 -8.410 1.149
141 2HE LYS 41 2HE LYS 41 -3.388 -9.297 -0.113
142 1HZ LYS 41 1HZ LYS 41 -1.281 -9.497 -1.326
143 2HZ LYS 41 2HZ LYS 41 -0.475 -8.708 -0.138
144 3HZ LYS 41 3HZ LYS 41 -1.154 -10.159 0.157
145 H VAL 42 H VAL 42 -0.220 -2.304 -2.382
146 HA VAL 42 HA VAL 42 2.298 -3.531 -2.899
147 HB VAL 42 HB VAL 42 1.495 -0.593 -3.029
148 1HG1 VAL 42 1HG1 VAL 42 3.739 -2.089 -4.438
149 2HG1 VAL 42 2HG1 VAL 42 3.232 -0.424 -4.803
150 3HG1 VAL 42 3HG1 VAL 42 3.920 -0.799 -3.226
151 1HG2 VAL 42 1HG2 VAL 42 1.354 -2.771 -5.162
152 2HG2 VAL 42 2HG2 VAL 42 -0.034 -1.960 -4.403
153 3HG2 VAL 42 3HG2 VAL 42 1.056 -1.041 -5.436
154 H CYS 43 H CYS 43 1.287 -1.334 -0.288
155 HA CYS 43 HA CYS 43 3.918 -1.543 1.060
156 1HB CYS 43 1HB CYS 43 3.927 0.318 -0.653
157 2HB CYS 43 2HB CYS 43 2.638 1.109 0.260
158 H PHE 44 H PHE 44 3.271 0.643 2.761
159 HA PHE 44 HA PHE 44 0.672 0.116 4.061
160 1HB PHE 44 1HB PHE 44 1.515 -0.202 6.228
161 2HB PHE 44 2HB PHE 44 2.444 -1.294 5.220
162 HD1 PHE 44 HD1 PHE 44 2.540 1.519 7.519
163 HD2 PHE 44 HD2 PHE 44 4.851 -0.613 4.562
164 HE1 PHE 44 HE1 PHE 44 4.614 2.583 8.373
165 HE2 PHE 44 HE2 PHE 44 6.922 0.456 5.422
166 HZ PHE 44 HZ PHE 44 6.807 2.059 7.319
167 H LYS 45 H LYS 45 3.317 2.303 3.330
168 HA LYS 45 HA LYS 45 1.637 4.634 3.977
169 1HB LYS 45 1HB LYS 45 2.717 4.016 6.151
170 2HB LYS 45 2HB LYS 45 4.306 4.207 5.405
171 1HG LYS 45 1HG LYS 45 3.797 6.618 4.987
172 2HG LYS 45 2HG LYS 45 2.192 6.391 5.715
173 1HD LYS 45 1HD LYS 45 3.275 5.725 7.859
174 2HD LYS 45 2HD LYS 45 4.872 5.970 7.118
175 1HE LYS 45 1HE LYS 45 4.292 8.357 6.691
176 2HE LYS 45 2HE LYS 45 2.717 8.107 7.454
177 1HZ LYS 45 3HZ LYS 45 3.888 7.562 9.529
178 2HZ LYS 45 1HZ LYS 45 5.343 7.804 8.820
179 3HZ LYS 45 2HZ LYS 45 4.312 9.053 9.021
180 H CYS 46 H CYS 46 5.072 3.795 3.180
181 HA CYS 46 HA CYS 46 5.515 6.298 1.917
182 1HB CYS 46 1HB CYS 46 7.709 5.000 1.241
183 2HB CYS 46 2HB CYS 46 7.386 5.522 2.891
184 H LYS 47 H LYS 47 4.652 3.192 0.516
185 HA LYS 47 HA LYS 47 4.133 2.524 -1.613
186 1HB LYS 47 1HB LYS 47 2.101 3.629 -2.340
187 2HB LYS 47 2HB LYS 47 2.167 3.420 -0.595
188 1HG LYS 47 1HG LYS 47 2.813 5.801 -0.323
189 2HG LYS 47 2HG LYS 47 2.717 6.036 -2.069
190 1HD LYS 47 1HD LYS 47 0.352 5.654 -2.075
191 2HD LYS 47 2HD LYS 47 0.356 5.028 -0.420
192 1HE LYS 47 1HE LYS 47 1.207 7.872 -1.108
193 2HE LYS 47 2HE LYS 47 -0.468 7.441 -0.740
194 1HZ LYS 47 2HZ LYS 47 1.785 6.956 1.142
195 2HZ LYS 47 3HZ LYS 47 0.723 8.207 1.247
196 3HZ LYS 47 1HZ LYS 47 0.217 6.656 1.425
197 H GLN 48 H GLN 48 6.612 4.141 -1.908
198 HA GLN 48 HA GLN 48 6.422 5.582 -4.374
199 1HB GLN 48 1HB GLN 48 8.847 4.257 -3.087
200 2HB GLN 48 2HB GLN 48 8.909 5.418 -4.404
201 1HG GLN 48 1HG GLN 48 7.955 5.950 -1.563
202 2HG GLN 48 2HG GLN 48 9.433 6.520 -2.310
203 1HE2 GLN 48 2HE2 GLN 48 6.127 7.284 -1.736
204 2HE2 GLN 48 1HE2 GLN 48 6.065 8.698 -2.794
205 HA PRO 49 HA PRO 49 5.887 2.846 -7.577
206 1HB PRO 49 2HB PRO 49 8.412 3.839 -8.914
207 2HB PRO 49 1HB PRO 49 6.787 3.588 -9.629
208 1HG PRO 49 1HG PRO 49 7.545 6.062 -8.880
209 2HG PRO 49 2HG PRO 49 5.902 5.475 -8.459
210 1HD PRO 49 1HD PRO 49 8.354 5.630 -6.708
211 2HD PRO 49 2HD PRO 49 6.657 6.044 -6.339
212 H GLY 50 H GLY 50 9.108 2.295 -6.253
213 1HA GLY 50 2HA GLY 50 10.277 0.293 -7.589
214 2HA GLY 50 1HA GLY 50 8.872 -0.583 -6.986
215 H HIS 51 H HIS 51 9.621 1.586 -4.568
216 HA HIS 51 HA HIS 51 11.951 0.524 -3.357
217 1HB HIS 51 1HB HIS 51 11.404 1.891 -1.540
218 2HB HIS 51 2HB HIS 51 10.688 2.737 -2.904
219 HD1 HIS 51 HD1 HIS 51 7.788 1.883 -3.133
220 HD2 HIS 51 HD2 HIS 51 9.916 1.467 0.481
221 HE1 HIS 51 HE1 HIS 51 6.075 1.348 -1.341
222 H PHE 52 H PHE 52 8.665 -0.676 -3.271
223 HA PHE 52 HA PHE 52 8.590 -1.733 -0.688
224 1HB PHE 52 1HB PHE 52 6.650 -3.089 -1.619
225 2HB PHE 52 2HB PHE 52 6.559 -1.348 -1.729
226 HD1 PHE 52 HD1 PHE 52 6.524 -0.191 -3.865
227 HD2 PHE 52 HD2 PHE 52 6.996 -4.477 -3.690
228 HE1 PHE 52 HE1 PHE 52 6.084 -0.341 -6.294
229 HE2 PHE 52 HE2 PHE 52 6.575 -4.616 -6.130
230 HZ PHE 52 HZ PHE 52 6.122 -2.548 -7.439
231 H SER 53 H SER 53 9.529 -3.451 -3.686
232 HA SER 53 HA SER 53 9.829 -6.037 -2.604
233 1HB SER 53 1HB SER 53 11.383 -4.745 -4.878
234 2HB SER 53 2HB SER 53 11.200 -6.488 -4.587
235 HG SER 53 HG SER 53 9.697 -5.715 -6.138
236 H LYS 54 H LYS 54 11.711 -3.359 -1.767
237 HA LYS 54 HA LYS 54 13.822 -5.081 -0.563
238 1HB LYS 54 1HB LYS 54 15.537 -3.448 -1.174
239 2HB LYS 54 2HB LYS 54 14.778 -4.144 -2.597
240 1HG LYS 54 1HG LYS 54 13.488 -2.161 -3.029
241 2HG LYS 54 2HG LYS 54 13.910 -1.443 -1.470
242 1HD LYS 54 1HD LYS 54 15.966 -2.059 -3.629
243 2HD LYS 54 2HD LYS 54 15.116 -0.509 -3.487
244 1HE LYS 54 1HE LYS 54 15.960 -0.241 -1.168
245 2HE LYS 54 2HE LYS 54 16.843 -1.765 -1.305
246 1HZ LYS 54 2HZ LYS 54 17.321 0.630 -3.001
247 2HZ LYS 54 3HZ LYS 54 18.273 0.144 -1.769
248 3HZ LYS 54 1HZ LYS 54 18.146 -0.777 -3.109
249 H GLN 55 H GLN 55 11.324 -3.542 0.424
250 HA GLN 55 HA GLN 55 12.635 -2.663 2.908
251 1HB GLN 55 1HB GLN 55 12.542 -0.616 1.391
252 2HB GLN 55 2HB GLN 55 10.780 -0.723 1.471
253 1HG GLN 55 1HG GLN 55 11.007 -0.585 4.025
254 2HG GLN 55 2HG GLN 55 12.728 -0.283 3.785
255 1HE2 GLN 55 1HE2 GLN 55 9.467 1.003 3.434
256 2HE2 GLN 55 2HE2 GLN 55 9.952 2.665 3.132
257 H CYS 56 H CYS 56 9.464 -2.886 1.220
258 HA CYS 56 HA CYS 56 8.123 -3.207 3.860
259 1HB CYS 56 1HB CYS 56 7.089 -2.176 1.188
260 2HB CYS 56 2HB CYS 56 6.179 -2.248 2.701
261 H ARG 57 H ARG 57 8.549 -4.828 0.810
262 HA ARG 57 HA ARG 57 6.698 -7.072 1.566
263 1HB ARG 57 1HB ARG 57 7.339 -5.981 -1.208
264 2HB ARG 57 2HB ARG 57 6.293 -7.349 -0.873
265 1HG ARG 57 1HG ARG 57 5.687 -4.469 -0.099
266 2HG ARG 57 2HG ARG 57 5.083 -5.327 -1.508
267 1HD ARG 57 1HD ARG 57 3.291 -5.596 -0.162
268 2HD ARG 57 2HD ARG 57 4.166 -7.058 0.284
269 HE ARG 57 HE ARG 57 5.089 -5.724 2.237
270 1HH1 ARG 57 1HH2 ARG 57 2.002 -4.630 0.931
271 2HH1 ARG 57 2HH2 ARG 57 1.774 -3.537 2.268
272 1HH2 ARG 57 1HH1 ARG 57 4.659 -4.474 3.892
273 2HH2 ARG 57 2HH1 ARG 57 3.129 -3.628 4.022
274 H SER 58 H SER 58 9.775 -6.444 1.695
275 HA SER 58 HA SER 58 11.379 -7.975 0.095
276 1HB SER 58 1HB SER 58 11.673 -7.691 3.104
277 2HB SER 58 2HB SER 58 12.962 -8.032 1.934
278 HG SER 58 HG SER 58 12.830 -5.787 2.494
No H/Q in entry = 278
Start of MODEL 19
1 H1 GLN 22 H3 GLN 22 -7.984 -0.495 -6.202
2 H2 GLN 22 H2 GLN 22 -7.112 0.793 -5.697
3 H3 GLN 22 H1 GLN 22 -6.989 0.280 -7.257
4 HA GLN 22 HA GLN 22 -5.972 -1.792 -6.561
5 1HB GLN 22 1HB GLN 22 -4.630 0.694 -5.404
6 2HB GLN 22 2HB GLN 22 -3.862 -0.892 -5.528
7 1HG GLN 22 1HG GLN 22 -4.165 -0.856 -7.995
8 2HG GLN 22 2HG GLN 22 -4.836 0.778 -7.888
9 1HE2 GLN 22 2HE2 GLN 22 -2.134 -0.542 -8.961
10 2HE2 GLN 22 1HE2 GLN 22 -0.953 0.606 -8.340
11 H THR 23 H THR 23 -6.200 -3.374 -5.053
12 HA THR 23 HA THR 23 -7.724 -3.158 -2.797
13 HB THR 23 HB THR 23 -5.471 -5.163 -3.136
14 HG1 THR 23 HG1 THR 23 -6.978 -6.304 -4.357
15 1HG2 THR 23 3HG2 THR 23 -8.232 -5.394 -1.846
16 2HG2 THR 23 1HG2 THR 23 -7.075 -6.723 -2.060
17 3HG2 THR 23 2HG2 THR 23 -6.677 -5.387 -0.977
18 H CYS 24 H CYS 24 -7.561 -2.667 -0.709
19 HA CYS 24 HA CYS 24 -5.600 -1.021 0.345
20 1HB CYS 24 1HB CYS 24 -8.005 -1.462 1.067
21 2HB CYS 24 2HB CYS 24 -7.409 -2.884 1.920
22 H TYR 25 H TYR 25 -3.975 -1.207 1.894
23 HA TYR 25 HA TYR 25 -2.486 -3.681 2.204
24 1HB TYR 25 1HB TYR 25 -0.960 -2.474 3.386
25 2HB TYR 25 2HB TYR 25 -1.600 -1.241 2.324
26 HD1 TYR 25 HD1 TYR 25 -0.442 -1.751 5.509
27 HD2 TYR 25 HD2 TYR 25 -3.905 -0.067 3.554
28 HE1 TYR 25 HE1 TYR 25 -0.902 -0.352 7.513
29 HE2 TYR 25 HE2 TYR 25 -4.385 1.274 5.574
30 HH TYR 25 HH TYR 25 -2.310 1.171 8.488
31 H ASN 26 H ASN 26 -5.294 -2.514 3.748
32 HA ASN 26 HA ASN 26 -4.943 -4.334 6.117
33 1HB ASN 26 1HB ASN 26 -4.457 -2.038 6.750
34 2HB ASN 26 2HB ASN 26 -5.902 -1.439 5.942
35 1HD2 ASN 26 2HD2 ASN 26 -7.962 -1.649 6.988
36 2HD2 ASN 26 1HD2 ASN 26 -8.046 -2.169 8.665
37 H CYS 27 H CYS 27 -7.375 -2.502 4.202
38 HA CYS 27 HA CYS 27 -9.576 -3.808 5.491
39 1HB CYS 27 1HB CYS 27 -9.521 -1.973 3.067
40 2HB CYS 27 2HB CYS 27 -10.902 -2.296 4.123
41 H GLY 28 H GLY 28 -7.724 -4.846 2.828
42 1HA GLY 28 2HA GLY 28 -9.235 -7.152 2.260
43 2HA GLY 28 1HA GLY 28 -7.951 -6.490 1.248
44 H LYS 29 H LYS 29 -9.605 -3.960 0.835
45 HA LYS 29 HA LYS 29 -11.810 -4.994 -0.896
46 1HB LYS 29 1HB LYS 29 -12.442 -3.718 1.115
47 2HB LYS 29 2HB LYS 29 -11.549 -2.324 0.510
48 1HG LYS 29 1HG LYS 29 -13.055 -2.286 -1.511
49 2HG LYS 29 2HG LYS 29 -13.939 -3.665 -0.829
50 1HD LYS 29 1HD LYS 29 -14.468 -2.244 1.199
51 2HD LYS 29 2HD LYS 29 -13.628 -0.898 0.424
52 1HE LYS 29 1HE LYS 29 -15.930 -0.527 0.031
53 2HE LYS 29 2HE LYS 29 -15.250 -1.061 -1.506
54 1HZ LYS 29 2HZ LYS 29 -16.760 -2.787 0.393
55 2HZ LYS 29 3HZ LYS 29 -17.355 -2.180 -0.996
56 3HZ LYS 29 1HZ LYS 29 -16.162 -3.288 -1.044
57 HA PRO 30 HA PRO 30 -9.253 -3.693 -4.361
58 1HB PRO 30 2HB PRO 30 -11.950 -3.565 -5.717
59 2HB PRO 30 1HB PRO 30 -10.411 -4.249 -6.329
60 1HG PRO 30 1HG PRO 30 -12.308 -5.881 -5.311
61 2HG PRO 30 2HG PRO 30 -10.586 -6.133 -4.870
62 1HD PRO 30 1HD PRO 30 -12.768 -4.801 -3.262
63 2HD PRO 30 2HD PRO 30 -11.481 -5.929 -2.739
64 H GLY 31 H GLY 31 -12.157 -1.789 -3.604
65 1HA GLY 31 2HA GLY 31 -12.807 0.370 -4.035
66 2HA GLY 31 1HA GLY 31 -11.569 0.458 -5.285
67 H HIS 32 H HIS 32 -9.293 0.016 -3.555
68 HA HIS 32 HA HIS 32 -9.313 2.426 -1.805
69 1HB HIS 32 1HB HIS 32 -7.905 -0.211 -1.651
70 2HB HIS 32 2HB HIS 32 -7.074 1.211 -1.027
71 HD1 HIS 32 HD1 HIS 32 -10.434 -0.629 -0.496
72 HD2 HIS 32 HD2 HIS 32 -7.712 1.967 1.356
73 HE1 HIS 32 HE1 HIS 32 -11.263 -0.312 1.917
74 H LEU 33 H LEU 33 -7.507 3.688 -1.644
75 HA LEU 33 HA LEU 33 -5.636 4.133 -3.846
76 1HB LEU 33 1HB LEU 33 -7.977 5.997 -3.171
77 2HB LEU 33 2HB LEU 33 -6.585 6.499 -4.116
78 HG LEU 33 HG LEU 33 -8.588 4.379 -4.984
79 1HD1 LEU 33 3HD1 LEU 33 -9.531 6.644 -4.925
80 2HD1 LEU 33 1HD1 LEU 33 -8.171 7.250 -5.897
81 3HD1 LEU 33 2HD1 LEU 33 -9.318 6.079 -6.589
82 1HD2 LEU 33 3HD2 LEU 33 -6.266 5.692 -6.479
83 2HD2 LEU 33 1HD2 LEU 33 -6.350 3.986 -5.985
84 3HD2 LEU 33 2HD2 LEU 33 -7.479 4.608 -7.193
85 H SER 34 H SER 34 -4.351 6.165 -3.276
86 HA SER 34 HA SER 34 -3.363 6.374 -0.664
87 1HB SER 34 1HB SER 34 -3.530 8.556 -2.778
88 2HB SER 34 2HB SER 34 -2.372 8.475 -1.438
89 HG SER 34 HG SER 34 -1.606 7.682 -3.540
90 H SER 35 H SER 35 -6.356 7.693 -1.857
91 HA SER 35 HA SER 35 -6.712 9.569 0.410
92 1HB SER 35 1HB SER 35 -8.749 10.216 -0.875
93 2HB SER 35 2HB SER 35 -7.245 10.404 -1.792
94 HG SER 35 HG SER 35 -8.911 9.363 -3.011
95 H GLN 36 H GLN 36 -7.321 6.292 -0.164
96 HA GLN 36 HA GLN 36 -9.864 6.227 1.401
97 1HB GLN 36 1HB GLN 36 -9.488 5.065 -0.920
98 2HB GLN 36 2HB GLN 36 -8.543 3.898 -0.001
99 1HG GLN 36 1HG GLN 36 -10.660 2.910 -0.064
100 2HG GLN 36 2HG GLN 36 -10.694 3.692 1.508
101 1HE2 GLN 36 2HE2 GLN 36 -12.060 3.601 -1.748
102 2HE2 GLN 36 1HE2 GLN 36 -13.273 4.845 -1.453
103 H CYS 37 H CYS 37 -6.565 4.876 1.317
104 HA CYS 37 HA CYS 37 -6.428 4.844 4.238
105 1HB CYS 37 1HB CYS 37 -6.035 2.354 2.532
106 2HB CYS 37 2HB CYS 37 -5.133 2.567 4.009
107 H ARG 38 H ARG 38 -4.055 4.314 4.864
108 HA ARG 38 HA ARG 38 -2.302 6.255 3.792
109 1HB ARG 38 1HB ARG 38 -1.656 3.724 5.374
110 2HB ARG 38 2HB ARG 38 -0.506 4.992 4.983
111 1HG ARG 38 1HG ARG 38 -0.988 5.688 7.031
112 2HG ARG 38 2HG ARG 38 -2.238 6.597 6.202
113 1HD ARG 38 1HD ARG 38 -2.748 3.840 7.391
114 2HD ARG 38 2HD ARG 38 -2.747 5.273 8.404
115 HE ARG 38 HE ARG 38 -4.538 6.196 6.857
116 1HH1 ARG 38 1HH2 ARG 38 -4.365 2.735 7.553
117 2HH1 ARG 38 2HH2 ARG 38 -6.083 2.555 7.309
118 1HH2 ARG 38 2HH1 ARG 38 -6.718 5.843 6.656
119 2HH2 ARG 38 1HH1 ARG 38 -7.333 4.220 6.735
120 H ALA 39 H ALA 39 -2.601 2.844 2.821
121 HA ALA 39 HA ALA 39 -1.401 3.480 0.259
122 1HB ALA 39 2HB ALA 39 0.647 3.059 1.604
123 2HB ALA 39 3HB ALA 39 -0.024 1.494 2.130
124 3HB ALA 39 1HB ALA 39 0.408 1.750 0.435
125 HA PRO 40 HA PRO 40 -3.631 -0.416 -0.787
126 1HB PRO 40 2HB PRO 40 -2.536 -1.015 -3.194
127 2HB PRO 40 1HB PRO 40 -3.640 0.376 -2.981
128 1HG PRO 40 1HG PRO 40 -0.605 0.405 -3.011
129 2HG PRO 40 2HG PRO 40 -1.727 1.451 -3.937
130 1HD PRO 40 1HD PRO 40 -0.590 2.215 -1.564
131 2HD PRO 40 2HD PRO 40 -2.227 2.746 -2.048
132 H LYS 41 H LYS 41 -2.911 -2.687 -1.371
133 HA LYS 41 HA LYS 41 -1.203 -3.820 0.514
134 1HB LYS 41 1HB LYS 41 -3.122 -4.823 -0.810
135 2HB LYS 41 2HB LYS 41 -2.000 -5.061 -2.150
136 1HG LYS 41 1HG LYS 41 -0.645 -6.586 -0.767
137 2HG LYS 41 2HG LYS 41 -1.648 -6.224 0.655
138 1HD LYS 41 1HD LYS 41 -3.612 -7.218 -0.481
139 2HD LYS 41 2HD LYS 41 -2.619 -7.549 -1.921
140 1HE LYS 41 1HE LYS 41 -1.120 -8.982 -0.543
141 2HE LYS 41 2HE LYS 41 -2.120 -8.664 0.880
142 1HZ LYS 41 3HZ LYS 41 -3.055 -10.041 -1.586
143 2HZ LYS 41 1HZ LYS 41 -2.715 -10.772 -0.169
144 3HZ LYS 41 2HZ LYS 41 -3.980 -9.749 -0.270
145 H VAL 42 H VAL 42 -0.117 -2.355 -2.340
146 HA VAL 42 HA VAL 42 2.422 -3.559 -2.813
147 HB VAL 42 HB VAL 42 1.597 -0.628 -2.943
148 1HG1 VAL 42 1HG1 VAL 42 3.863 -2.105 -4.330
149 2HG1 VAL 42 2HG1 VAL 42 3.361 -0.436 -4.683
150 3HG1 VAL 42 3HG1 VAL 42 4.030 -0.829 -3.101
151 1HG2 VAL 42 3HG2 VAL 42 1.504 -2.796 -5.087
152 2HG2 VAL 42 1HG2 VAL 42 0.098 -1.993 -4.350
153 3HG2 VAL 42 2HG2 VAL 42 1.203 -1.067 -5.361
154 H CYS 43 H CYS 43 1.354 -1.343 -0.233
155 HA CYS 43 HA CYS 43 3.981 -1.480 1.144
156 1HB CYS 43 1HB CYS 43 3.975 0.319 -0.625
157 2HB CYS 43 2HB CYS 43 2.653 1.113 0.237
158 H PHE 44 H PHE 44 3.379 0.669 2.828
159 HA PHE 44 HA PHE 44 0.742 0.224 4.104
160 1HB PHE 44 1HB PHE 44 1.573 -0.029 6.282
161 2HB PHE 44 2HB PHE 44 2.510 -1.152 5.315
162 HD1 PHE 44 HD1 PHE 44 2.589 1.747 7.514
163 HD2 PHE 44 HD2 PHE 44 4.922 -0.495 4.659
164 HE1 PHE 44 HE1 PHE 44 4.656 2.840 8.343
165 HE2 PHE 44 HE2 PHE 44 6.986 0.601 5.497
166 HZ PHE 44 HZ PHE 44 6.858 2.274 7.330
167 H LYS 45 H LYS 45 3.303 2.390 3.170
168 HA LYS 45 HA LYS 45 1.675 4.737 3.868
169 1HB LYS 45 1HB LYS 45 2.873 4.205 5.987
170 2HB LYS 45 2HB LYS 45 4.420 4.329 5.150
171 1HG LYS 45 1HG LYS 45 3.955 6.731 4.670
172 2HG LYS 45 2HG LYS 45 2.376 6.577 5.469
173 1HD LYS 45 1HD LYS 45 3.519 5.977 7.595
174 2HD LYS 45 2HD LYS 45 5.096 6.129 6.787
175 1HE LYS 45 1HE LYS 45 4.593 8.515 6.279
176 2HE LYS 45 2HE LYS 45 3.029 8.359 7.090
177 1HZ LYS 45 3HZ LYS 45 4.229 7.864 9.159
178 2HZ LYS 45 1HZ LYS 45 5.674 8.014 8.407
179 3HZ LYS 45 2HZ LYS 45 4.699 9.311 8.572
180 H CYS 46 H CYS 46 5.094 3.971 2.965
181 HA CYS 46 HA CYS 46 5.370 6.415 1.551
182 1HB CYS 46 1HB CYS 46 7.619 5.159 0.891
183 2HB CYS 46 2HB CYS 46 7.318 5.839 2.486
184 H LYS 47 H LYS 47 4.609 3.208 0.345
185 HA LYS 47 HA LYS 47 4.116 2.397 -1.746
186 1HB LYS 47 1HB LYS 47 2.048 3.403 -2.529
187 2HB LYS 47 2HB LYS 47 2.125 3.266 -0.778
188 1HG LYS 47 1HG LYS 47 2.705 5.682 -0.612
189 2HG LYS 47 2HG LYS 47 2.562 5.835 -2.365
190 1HD LYS 47 1HD LYS 47 0.209 5.350 -2.289
191 2HD LYS 47 2HD LYS 47 0.286 4.819 -0.601
192 1HE LYS 47 1HE LYS 47 1.004 7.648 -1.471
193 2HE LYS 47 2HE LYS 47 -0.642 7.169 -1.045
194 1HZ LYS 47 2HZ LYS 47 1.656 6.868 0.820
195 2HZ LYS 47 3HZ LYS 47 0.574 8.104 0.866
196 3HZ LYS 47 1HZ LYS 47 0.099 6.559 1.149
197 H GLN 48 H GLN 48 6.546 4.035 -2.138
198 HA GLN 48 HA GLN 48 6.324 5.336 -4.682
199 1HB GLN 48 1HB GLN 48 8.776 4.156 -3.308
200 2HB GLN 48 2HB GLN 48 8.816 5.235 -4.694
201 1HG GLN 48 1HG GLN 48 7.831 5.915 -1.896
202 2HG GLN 48 2HG GLN 48 9.299 6.478 -2.670
203 1HE2 GLN 48 2HE2 GLN 48 5.970 7.189 -2.158
204 2HE2 GLN 48 1HE2 GLN 48 5.876 8.532 -3.303
205 HA PRO 49 HA PRO 49 5.896 2.401 -7.722
206 1HB PRO 49 2HB PRO 49 8.401 3.389 -9.102
207 2HB PRO 49 1HB PRO 49 6.787 3.050 -9.808
208 1HG PRO 49 1HG PRO 49 7.469 5.585 -9.201
209 2HG PRO 49 2HG PRO 49 5.842 4.976 -8.751
210 1HD PRO 49 1HD PRO 49 8.282 5.296 -7.006
211 2HD PRO 49 2HD PRO 49 6.574 5.690 -6.666
212 H GLY 50 H GLY 50 9.094 1.999 -6.308
213 1HA GLY 50 2HA GLY 50 10.354 -0.026 -7.528
214 2HA GLY 50 1HA GLY 50 8.954 -0.912 -6.925
215 H HIS 51 H HIS 51 9.685 1.426 -4.619
216 HA HIS 51 HA HIS 51 11.980 0.445 -3.317
217 1HB HIS 51 1HB HIS 51 11.394 1.900 -1.580
218 2HB HIS 51 2HB HIS 51 10.700 2.662 -3.002
219 HD1 HIS 51 HD1 HIS 51 7.811 1.716 -3.239
220 HD2 HIS 51 HD2 HIS 51 9.863 1.688 0.445
221 HE1 HIS 51 HE1 HIS 51 6.070 1.311 -1.441
222 H PHE 52 H PHE 52 8.708 -0.793 -3.167
223 HA PHE 52 HA PHE 52 8.673 -1.839 -0.564
224 1HB PHE 52 1HB PHE 52 6.745 -3.210 -1.468
225 2HB PHE 52 2HB PHE 52 6.637 -1.473 -1.629
226 HD1 PHE 52 HD1 PHE 52 6.603 -0.379 -3.801
227 HD2 PHE 52 HD2 PHE 52 7.096 -4.655 -3.498
228 HE1 PHE 52 HE1 PHE 52 6.168 -0.601 -6.224
229 HE2 PHE 52 HE2 PHE 52 6.677 -4.867 -5.932
230 HZ PHE 52 HZ PHE 52 6.218 -2.841 -7.304
231 H SER 53 H SER 53 9.633 -3.509 -3.583
232 HA SER 53 HA SER 53 10.010 -6.093 -2.526
233 1HB SER 53 1HB SER 53 11.498 -4.742 -4.809
234 2HB SER 53 2HB SER 53 11.383 -6.490 -4.525
235 HG SER 53 HG SER 53 9.834 -5.773 -6.051
236 H LYS 54 H LYS 54 11.864 -3.373 -1.720
237 HA LYS 54 HA LYS 54 14.019 -5.081 -0.549
238 1HB LYS 54 1HB LYS 54 15.664 -3.354 -1.064
239 2HB LYS 54 2HB LYS 54 14.938 -4.006 -2.526
240 1HG LYS 54 1HG LYS 54 13.563 -2.055 -2.853
241 2HG LYS 54 2HG LYS 54 13.974 -1.397 -1.263
242 1HD LYS 54 1HD LYS 54 16.028 -1.844 -3.466
243 2HD LYS 54 2HD LYS 54 15.133 -0.332 -3.245
244 1HE LYS 54 1HE LYS 54 15.995 -0.126 -0.934
245 2HE LYS 54 2HE LYS 54 16.906 -1.627 -1.126
246 1HZ LYS 54 2HZ LYS 54 17.330 0.830 -2.744
247 2HZ LYS 54 3HZ LYS 54 18.296 0.325 -1.532
248 3HZ LYS 54 1HZ LYS 54 18.182 -0.557 -2.899
249 H GLN 55 H GLN 55 11.447 -3.445 0.377
250 HA GLN 55 HA GLN 55 12.631 -2.812 3.003
251 1HB GLN 55 1HB GLN 55 12.814 -0.703 1.673
252 2HB GLN 55 2HB GLN 55 11.068 -0.697 1.451
253 1HG GLN 55 1HG GLN 55 10.817 -0.608 3.974
254 2HG GLN 55 2HG GLN 55 12.576 -0.528 4.103
255 1HE2 GLN 55 1HE2 GLN 55 9.653 1.262 3.330
256 2HE2 GLN 55 2HE2 GLN 55 10.448 2.822 3.140
257 H CYS 56 H CYS 56 9.469 -1.815 1.687
258 HA CYS 56 HA CYS 56 8.161 -2.677 4.017
259 1HB CYS 56 1HB CYS 56 7.043 -1.724 1.343
260 2HB CYS 56 2HB CYS 56 6.189 -1.724 2.898
261 H ARG 57 H ARG 57 8.659 -4.456 1.100
262 HA ARG 57 HA ARG 57 6.831 -6.643 1.987
263 1HB ARG 57 1HB ARG 57 6.191 -4.877 -0.073
264 2HB ARG 57 2HB ARG 57 7.020 -6.136 -0.956
265 1HG ARG 57 1HG ARG 57 4.975 -7.115 -1.022
266 2HG ARG 57 2HG ARG 57 5.325 -7.658 0.616
267 1HD ARG 57 1HD ARG 57 3.716 -5.229 -0.271
268 2HD ARG 57 2HD ARG 57 3.108 -6.669 0.556
269 HE ARG 57 HE ARG 57 5.088 -5.413 2.207
270 1HH1 ARG 57 2HH1 ARG 57 1.864 -4.645 1.077
271 2HH1 ARG 57 1HH1 ARG 57 1.642 -3.460 2.339
272 1HH2 ARG 57 2HH2 ARG 57 4.683 -4.049 3.809
273 2HH2 ARG 57 1HH2 ARG 57 3.098 -3.309 3.994
274 H SER 58 H SER 58 9.837 -6.067 1.828
275 HA SER 58 HA SER 58 11.202 -7.816 0.065
276 1HB SER 58 1HB SER 58 12.168 -5.988 1.506
277 2HB SER 58 2HB SER 58 12.002 -7.071 2.903
278 HG SER 58 HG SER 58 14.093 -7.263 1.959
No H/Q in entry = 278
Start of MODEL 20
1 H1 GLN 22 H2 GLN 22 -8.109 -0.567 -6.214
2 H2 GLN 22 H1 GLN 22 -7.193 0.699 -5.734
3 H3 GLN 22 H3 GLN 22 -7.099 0.158 -7.288
4 HA GLN 22 HA GLN 22 -6.157 -1.942 -6.556
5 1HB GLN 22 1HB GLN 22 -4.690 0.510 -5.476
6 2HB GLN 22 2HB GLN 22 -4.003 -1.117 -5.576
7 1HG GLN 22 1HG GLN 22 -4.329 -1.104 -8.049
8 2HG GLN 22 2HG GLN 22 -4.942 0.551 -7.946
9 1HE2 GLN 22 1HE2 GLN 22 -3.034 0.795 -9.554
10 2HE2 GLN 22 2HE2 GLN 22 -1.481 1.164 -8.812
11 H THR 23 H THR 23 -6.269 -3.479 -4.981
12 HA THR 23 HA THR 23 -7.781 -3.218 -2.712
13 HB THR 23 HB THR 23 -5.476 -5.174 -3.003
14 HG1 THR 23 HG1 THR 23 -6.961 -6.401 -4.170
15 1HG2 THR 23 3HG2 THR 23 -8.226 -5.442 -1.695
16 2HG2 THR 23 1HG2 THR 23 -7.024 -6.739 -1.860
17 3HG2 THR 23 2HG2 THR 23 -6.670 -5.350 -0.829
18 H CYS 24 H CYS 24 -7.604 -2.660 -0.647
19 HA CYS 24 HA CYS 24 -5.659 -0.962 0.361
20 1HB CYS 24 1HB CYS 24 -8.045 -1.434 1.126
21 2HB CYS 24 2HB CYS 24 -7.417 -2.849 1.971
22 H TYR 25 H TYR 25 -4.027 -1.117 1.924
23 HA TYR 25 HA TYR 25 -2.475 -3.556 2.195
24 1HB TYR 25 1HB TYR 25 -0.977 -2.332 3.373
25 2HB TYR 25 2HB TYR 25 -1.658 -1.088 2.352
26 HD1 TYR 25 HD1 TYR 25 -0.551 -1.802 5.563
27 HD2 TYR 25 HD2 TYR 25 -3.878 0.121 3.592
28 HE1 TYR 25 HE1 TYR 25 -1.022 -0.500 7.625
29 HE2 TYR 25 HE2 TYR 25 -4.363 1.392 5.677
30 HH TYR 25 HH TYR 25 -2.382 1.014 8.636
31 H ASN 26 H ASN 26 -5.300 -2.460 3.766
32 HA ASN 26 HA ASN 26 -4.913 -4.307 6.108
33 1HB ASN 26 1HB ASN 26 -4.428 -2.022 6.767
34 2HB ASN 26 2HB ASN 26 -5.878 -1.413 5.973
35 1HD2 ASN 26 2HD2 ASN 26 -7.923 -1.615 7.034
36 2HD2 ASN 26 1HD2 ASN 26 -8.003 -2.158 8.703
37 H CYS 27 H CYS 27 -7.370 -2.487 4.214
38 HA CYS 27 HA CYS 27 -9.545 -3.745 5.574
39 1HB CYS 27 1HB CYS 27 -9.525 -1.954 3.114
40 2HB CYS 27 2HB CYS 27 -10.895 -2.261 4.187
41 H GLY 28 H GLY 28 -7.777 -4.973 2.956
42 1HA GLY 28 2HA GLY 28 -9.397 -7.225 2.487
43 2HA GLY 28 1HA GLY 28 -8.117 -6.647 1.414
44 H LYS 29 H LYS 29 -9.384 -4.140 0.759
45 HA LYS 29 HA LYS 29 -11.883 -4.909 -0.707
46 1HB LYS 29 1HB LYS 29 -12.265 -3.668 1.370
47 2HB LYS 29 2HB LYS 29 -11.179 -2.408 0.848
48 1HG LYS 29 1HG LYS 29 -13.436 -1.642 0.551
49 2HG LYS 29 2HG LYS 29 -12.713 -1.840 -1.033
50 1HD LYS 29 1HD LYS 29 -15.033 -2.634 -1.018
51 2HD LYS 29 2HD LYS 29 -13.924 -3.944 -1.384
52 1HE LYS 29 1HE LYS 29 -15.621 -4.784 0.093
53 2HE LYS 29 2HE LYS 29 -14.094 -4.757 0.971
54 1HZ LYS 29 3HZ LYS 29 -16.241 -2.708 1.211
55 2HZ LYS 29 1HZ LYS 29 -15.934 -3.876 2.303
56 3HZ LYS 29 2HZ LYS 29 -14.842 -2.693 2.059
57 HA PRO 30 HA PRO 30 -9.232 -3.767 -4.219
58 1HB PRO 30 2HB PRO 30 -11.942 -3.876 -5.547
59 2HB PRO 30 1HB PRO 30 -10.360 -4.459 -6.158
60 1HG PRO 30 1HG PRO 30 -12.084 -6.208 -5.048
61 2HG PRO 30 2HG PRO 30 -10.348 -6.276 -4.596
62 1HD PRO 30 1HD PRO 30 -12.647 -5.061 -3.064
63 2HD PRO 30 2HD PRO 30 -11.275 -6.045 -2.471
64 H GLY 31 H GLY 31 -12.200 -1.946 -3.509
65 1HA GLY 31 2HA GLY 31 -12.909 0.185 -3.993
66 2HA GLY 31 1HA GLY 31 -11.695 0.269 -5.268
67 H HIS 32 H HIS 32 -9.386 -0.100 -3.536
68 HA HIS 32 HA HIS 32 -9.431 2.357 -1.853
69 1HB HIS 32 1HB HIS 32 -8.004 -0.262 -1.635
70 2HB HIS 32 2HB HIS 32 -7.160 1.175 -1.072
71 HD1 HIS 32 HD1 HIS 32 -10.552 -0.578 -0.449
72 HD2 HIS 32 HD2 HIS 32 -7.710 1.940 1.324
73 HE1 HIS 32 HE1 HIS 32 -11.326 -0.213 1.975
74 H LEU 33 H LEU 33 -7.570 3.580 -1.687
75 HA LEU 33 HA LEU 33 -5.737 4.008 -3.924
76 1HB LEU 33 1HB LEU 33 -7.990 5.937 -3.151
77 2HB LEU 33 2HB LEU 33 -6.608 6.406 -4.129
78 HG LEU 33 HG LEU 33 -8.712 4.370 -4.965
79 1HD1 LEU 33 3HD1 LEU 33 -9.577 6.664 -4.840
80 2HD1 LEU 33 1HD1 LEU 33 -8.231 7.241 -5.847
81 3HD1 LEU 33 2HD1 LEU 33 -9.438 6.119 -6.519
82 1HD2 LEU 33 3HD2 LEU 33 -6.399 5.632 -6.517
83 2HD2 LEU 33 1HD2 LEU 33 -6.523 3.923 -6.045
84 3HD2 LEU 33 2HD2 LEU 33 -7.669 4.599 -7.207
85 H SER 34 H SER 34 -4.398 6.022 -3.337
86 HA SER 34 HA SER 34 -3.435 6.104 -0.647
87 1HB SER 34 1HB SER 34 -2.311 8.199 -1.440
88 2HB SER 34 2HB SER 34 -2.056 6.793 -2.494
89 HG SER 34 HG SER 34 -2.609 8.700 -3.677
90 H SER 35 H SER 35 -6.242 7.607 -2.040
91 HA SER 35 HA SER 35 -6.608 9.525 0.182
92 1HB SER 35 1HB SER 35 -8.623 10.167 -1.122
93 2HB SER 35 2HB SER 35 -7.121 10.286 -2.055
94 HG SER 35 HG SER 35 -8.823 9.243 -3.221
95 H GLN 36 H GLN 36 -7.319 6.237 -0.343
96 HA GLN 36 HA GLN 36 -9.843 6.274 1.244
97 1HB GLN 36 1HB GLN 36 -9.486 5.012 -1.027
98 2HB GLN 36 2HB GLN 36 -8.565 3.867 -0.059
99 1HG GLN 36 1HG GLN 36 -10.696 2.913 -0.084
100 2HG GLN 36 2HG GLN 36 -10.723 3.765 1.451
101 1HE2 GLN 36 2HE2 GLN 36 -12.094 3.541 -1.797
102 2HE2 GLN 36 1HE2 GLN 36 -13.279 4.823 -1.561
103 H CYS 37 H CYS 37 -6.572 4.856 1.210
104 HA CYS 37 HA CYS 37 -6.421 4.911 4.141
105 1HB CYS 37 1HB CYS 37 -6.034 2.379 2.488
106 2HB CYS 37 2HB CYS 37 -5.171 2.620 3.988
107 H ARG 38 H ARG 38 -4.103 4.417 4.776
108 HA ARG 38 HA ARG 38 -2.349 6.331 3.701
109 1HB ARG 38 1HB ARG 38 -1.522 3.852 5.271
110 2HB ARG 38 2HB ARG 38 -0.613 5.351 5.088
111 1HG ARG 38 1HG ARG 38 -1.530 5.903 7.083
112 2HG ARG 38 2HG ARG 38 -2.935 6.361 6.119
113 1HD ARG 38 1HD ARG 38 -3.686 3.865 6.456
114 2HD ARG 38 2HD ARG 38 -2.427 3.812 7.696
115 HE ARG 38 HE ARG 38 -4.069 6.091 8.174
116 1HH1 ARG 38 1HH1 ARG 38 -4.312 2.595 8.423
117 2HH1 ARG 38 2HH1 ARG 38 -5.646 2.688 9.544
118 1HH2 ARG 38 2HH2 ARG 38 -5.748 6.121 9.633
119 2HH2 ARG 38 1HH2 ARG 38 -6.411 4.628 10.227
120 H ALA 39 H ALA 39 -2.574 2.930 2.759
121 HA ALA 39 HA ALA 39 -1.373 3.573 0.209
122 1HB ALA 39 3HB ALA 39 0.011 1.557 2.041
123 2HB ALA 39 1HB ALA 39 0.433 1.847 0.349
124 3HB ALA 39 2HB ALA 39 0.685 3.130 1.547
125 HA PRO 40 HA PRO 40 -3.667 -0.305 -0.797
126 1HB PRO 40 2HB PRO 40 -2.616 -0.923 -3.224
127 2HB PRO 40 1HB PRO 40 -3.710 0.474 -2.997
128 1HG PRO 40 1HG PRO 40 -0.675 0.484 -3.085
129 2HG PRO 40 2HG PRO 40 -1.810 1.539 -3.986
130 1HD PRO 40 1HD PRO 40 -0.614 2.294 -1.637
131 2HD PRO 40 2HD PRO 40 -2.254 2.840 -2.089
132 H LYS 41 H LYS 41 -2.967 -2.583 -1.415
133 HA LYS 41 HA LYS 41 -1.251 -3.727 0.457
134 1HB LYS 41 1HB LYS 41 -3.202 -4.699 -0.887
135 2HB LYS 41 2HB LYS 41 -2.047 -5.007 -2.184
136 1HG LYS 41 1HG LYS 41 -0.769 -6.510 -0.694
137 2HG LYS 41 2HG LYS 41 -1.821 -6.078 0.672
138 1HD LYS 41 1HD LYS 41 -3.762 -7.065 -0.520
139 2HD LYS 41 2HD LYS 41 -2.709 -7.478 -1.894
140 1HE LYS 41 1HE LYS 41 -1.314 -8.887 -0.381
141 2HE LYS 41 2HE LYS 41 -2.382 -8.490 0.970
142 1HZ LYS 41 2HZ LYS 41 -3.212 -9.944 -1.489
143 2HZ LYS 41 3HZ LYS 41 -2.970 -10.624 -0.027
144 3HZ LYS 41 1HZ LYS 41 -4.202 -9.578 -0.240
145 H VAL 42 H VAL 42 -0.166 -2.243 -2.374
146 HA VAL 42 HA VAL 42 2.353 -3.493 -2.877
147 HB VAL 42 HB VAL 42 1.556 -0.552 -2.992
148 1HG1 VAL 42 2HG1 VAL 42 3.829 -2.031 -4.370
149 2HG1 VAL 42 3HG1 VAL 42 3.335 -0.360 -4.718
150 3HG1 VAL 42 1HG1 VAL 42 3.989 -0.762 -3.132
151 1HG2 VAL 42 1HG2 VAL 42 1.472 -2.707 -5.152
152 2HG2 VAL 42 2HG2 VAL 42 0.065 -1.910 -4.417
153 3HG2 VAL 42 3HG2 VAL 42 1.175 -0.976 -5.413
154 H CYS 43 H CYS 43 1.318 -1.277 -0.286
155 HA CYS 43 HA CYS 43 3.922 -1.506 1.115
156 1HB CYS 43 1HB CYS 43 4.001 0.328 -0.622
157 2HB CYS 43 2HB CYS 43 2.703 1.153 0.248
158 H PHE 44 H PHE 44 3.303 0.695 2.789
159 HA PHE 44 HA PHE 44 0.657 0.250 4.038
160 1HB PHE 44 1HB PHE 44 1.452 -0.063 6.220
161 2HB PHE 44 2HB PHE 44 2.380 -1.183 5.244
162 HD1 PHE 44 HD1 PHE 44 2.484 1.648 7.518
163 HD2 PHE 44 HD2 PHE 44 4.812 -0.543 4.619
164 HE1 PHE 44 HE1 PHE 44 4.560 2.689 8.396
165 HE2 PHE 44 HE2 PHE 44 6.883 0.503 5.501
166 HZ PHE 44 HZ PHE 44 6.762 2.125 7.382
167 H LYS 45 H LYS 45 3.315 2.383 3.253
168 HA LYS 45 HA LYS 45 1.708 4.751 3.955
169 1HB LYS 45 1HB LYS 45 2.824 4.116 6.092
170 2HB LYS 45 2HB LYS 45 4.401 4.235 5.308
171 1HG LYS 45 1HG LYS 45 3.995 6.663 4.899
172 2HG LYS 45 2HG LYS 45 2.393 6.513 5.650
173 1HD LYS 45 1HD LYS 45 3.474 5.804 7.780
174 2HD LYS 45 2HD LYS 45 5.070 5.969 7.016
175 1HE LYS 45 1HE LYS 45 4.607 8.380 6.596
176 2HE LYS 45 2HE LYS 45 3.026 8.210 7.368
177 1HZ LYS 45 1HZ LYS 45 4.179 7.613 9.437
178 2HZ LYS 45 2HZ LYS 45 5.640 7.780 8.721
179 3HZ LYS 45 3HZ LYS 45 4.674 9.078 8.922
180 H CYS 46 H CYS 46 5.127 3.893 3.106
181 HA CYS 46 HA CYS 46 5.505 6.390 1.791
182 1HB CYS 46 1HB CYS 46 7.763 5.229 1.219
183 2HB CYS 46 2HB CYS 46 7.356 5.656 2.878
184 H LYS 47 H LYS 47 4.721 3.230 0.477
185 HA LYS 47 HA LYS 47 4.229 2.502 -1.646
186 1HB LYS 47 1HB LYS 47 2.209 3.602 -2.433
187 2HB LYS 47 2HB LYS 47 2.246 3.412 -0.686
188 1HG LYS 47 1HG LYS 47 2.885 5.790 -0.420
189 2HG LYS 47 2HG LYS 47 2.838 6.012 -2.170
190 1HD LYS 47 1HD LYS 47 0.470 5.649 -2.236
191 2HD LYS 47 2HD LYS 47 0.424 5.033 -0.575
192 1HE LYS 47 1HE LYS 47 1.347 7.858 -1.246
193 2HE LYS 47 2HE LYS 47 -0.350 7.467 -0.960
194 1HZ LYS 47 3HZ LYS 47 1.805 6.952 1.028
195 2HZ LYS 47 1HZ LYS 47 0.759 8.216 1.081
196 3HZ LYS 47 2HZ LYS 47 0.221 6.674 1.247
197 H GLN 48 H GLN 48 6.716 4.082 -1.948
198 HA GLN 48 HA GLN 48 6.574 5.499 -4.430
199 1HB GLN 48 1HB GLN 48 8.960 4.165 -3.083
200 2HB GLN 48 2HB GLN 48 9.065 5.300 -4.421
201 1HG GLN 48 1HG GLN 48 8.057 5.900 -1.612
202 2HG GLN 48 2HG GLN 48 9.563 6.431 -2.335
203 1HE2 GLN 48 2HE2 GLN 48 6.253 7.255 -1.861
204 2HE2 GLN 48 1HE2 GLN 48 6.240 8.652 -2.945
205 HA PRO 49 HA PRO 49 6.074 2.755 -7.628
206 1HB PRO 49 2HB PRO 49 8.647 3.692 -8.914
207 2HB PRO 49 1HB PRO 49 7.033 3.464 -9.664
208 1HG PRO 49 1HG PRO 49 7.819 5.931 -8.915
209 2HG PRO 49 2HG PRO 49 6.157 5.377 -8.526
210 1HD PRO 49 1HD PRO 49 8.573 5.499 -6.724
211 2HD PRO 49 2HD PRO 49 6.876 5.946 -6.393
212 H GLY 50 H GLY 50 9.252 2.153 -6.227
213 1HA GLY 50 2HA GLY 50 10.413 0.114 -7.514
214 2HA GLY 50 1HA GLY 50 8.974 -0.726 -6.942
215 H HIS 51 H HIS 51 9.729 1.460 -4.533
216 HA HIS 51 HA HIS 51 12.005 0.369 -3.262
217 1HB HIS 51 1HB HIS 51 11.447 1.771 -1.474
218 2HB HIS 51 2HB HIS 51 10.771 2.607 -2.863
219 HD1 HIS 51 HD1 HIS 51 7.865 1.792 -3.143
220 HD2 HIS 51 HD2 HIS 51 9.911 1.382 0.520
221 HE1 HIS 51 HE1 HIS 51 6.110 1.279 -1.385
222 H PHE 52 H PHE 52 8.697 -0.784 -3.217
223 HA PHE 52 HA PHE 52 8.581 -1.906 -0.653
224 1HB PHE 52 1HB PHE 52 6.667 -3.258 -1.670
225 2HB PHE 52 2HB PHE 52 6.565 -1.513 -1.705
226 HD1 PHE 52 HD1 PHE 52 7.067 -4.544 -3.804
227 HD2 PHE 52 HD2 PHE 52 6.556 -0.259 -3.780
228 HE1 PHE 52 HE1 PHE 52 6.689 -4.566 -6.254
229 HE2 PHE 52 HE2 PHE 52 6.160 -0.292 -6.219
230 HZ PHE 52 HZ PHE 52 6.240 -2.440 -7.471
231 H SER 53 H SER 53 9.555 -3.522 -3.694
232 HA SER 53 HA SER 53 9.944 -6.123 -2.668
233 1HB SER 53 1HB SER 53 11.400 -4.739 -4.952
234 2HB SER 53 2HB SER 53 11.291 -6.491 -4.687
235 HG SER 53 HG SER 53 9.722 -5.762 -6.186
236 H LYS 54 H LYS 54 11.731 -3.430 -1.729
237 HA LYS 54 HA LYS 54 13.920 -5.137 -0.643
238 1HB LYS 54 1HB LYS 54 15.572 -3.428 -1.182
239 2HB LYS 54 2HB LYS 54 14.817 -4.073 -2.631
240 1HG LYS 54 1HG LYS 54 13.452 -2.107 -2.931
241 2HG LYS 54 2HG LYS 54 13.918 -1.447 -1.357
242 1HD LYS 54 1HD LYS 54 15.896 -1.938 -3.621
243 2HD LYS 54 2HD LYS 54 15.036 -0.407 -3.373
244 1HE LYS 54 1HE LYS 54 15.980 -0.219 -1.090
245 2HE LYS 54 2HE LYS 54 16.860 -1.735 -1.314
246 1HZ LYS 54 2HZ LYS 54 17.268 0.716 -2.944
247 2HZ LYS 54 3HZ LYS 54 18.269 0.192 -1.767
248 3HZ LYS 54 1HZ LYS 54 18.091 -0.685 -3.131
249 H GLN 55 H GLN 55 11.370 -3.559 0.402
250 HA GLN 55 HA GLN 55 12.679 -2.834 2.944
251 1HB GLN 55 1HB GLN 55 12.776 -0.754 1.519
252 2HB GLN 55 2HB GLN 55 11.012 -0.760 1.453
253 1HG GLN 55 1HG GLN 55 10.990 -0.631 3.990
254 2HG GLN 55 2HG GLN 55 12.751 -0.511 3.953
255 1HE2 GLN 55 1HE2 GLN 55 9.715 1.165 3.359
256 2HE2 GLN 55 2HE2 GLN 55 10.434 2.752 3.105
257 H CYS 56 H CYS 56 9.490 -2.500 1.293
258 HA CYS 56 HA CYS 56 8.163 -2.955 3.887
259 1HB CYS 56 1HB CYS 56 7.163 -1.799 1.253
260 2HB CYS 56 2HB CYS 56 6.252 -1.871 2.768
261 H ARG 57 H ARG 57 8.568 -4.667 0.920
262 HA ARG 57 HA ARG 57 6.638 -6.779 1.764
263 1HB ARG 57 1HB ARG 57 6.049 -4.939 -0.249
264 2HB ARG 57 2HB ARG 57 6.818 -6.216 -1.166
265 1HG ARG 57 1HG ARG 57 4.735 -7.106 -1.234
266 2HG ARG 57 2HG ARG 57 5.084 -7.706 0.383
267 1HD ARG 57 1HD ARG 57 3.556 -5.199 -0.416
268 2HD ARG 57 2HD ARG 57 2.908 -6.638 0.381
269 HE ARG 57 HE ARG 57 4.956 -5.480 2.030
270 1HH1 ARG 57 1HH1 ARG 57 1.735 -4.623 0.983
271 2HH1 ARG 57 2HH1 ARG 57 1.556 -3.457 2.271
272 1HH2 ARG 57 2HH2 ARG 57 4.610 -4.145 3.672
273 2HH2 ARG 57 1HH2 ARG 57 3.045 -3.378 3.906
274 H SER 58 H SER 58 9.742 -6.196 1.252
275 HA SER 58 HA SER 58 10.804 -8.255 -0.394
276 1HB SER 58 1HB SER 58 12.841 -7.924 1.115
277 2HB SER 58 2HB SER 58 12.247 -6.525 0.216
278 HG SER 58 HG SER 58 11.634 -7.103 2.943
No H/Q in entry = 278
Start of MODEL 21
1 H1 GLN 22 H1 GLN 22 -6.947 0.545 -5.793
2 H2 GLN 22 H3 GLN 22 -6.966 -0.029 -7.339
3 H3 GLN 22 H2 GLN 22 -8.029 -0.603 -6.223
4 HA GLN 22 HA GLN 22 -6.348 -2.230 -6.570
5 1HB GLN 22 1HB GLN 22 -4.570 -0.688 -7.330
6 2HB GLN 22 2HB GLN 22 -4.429 -0.024 -5.705
7 1HG GLN 22 1HG GLN 22 -2.612 -1.566 -6.152
8 2HG GLN 22 2HG GLN 22 -3.612 -2.210 -4.863
9 1HE2 GLN 22 2HE2 GLN 22 -1.930 -3.205 -7.552
10 2HE2 GLN 22 1HE2 GLN 22 -2.924 -4.598 -7.961
11 H THR 23 H THR 23 -6.218 -3.687 -4.909
12 HA THR 23 HA THR 23 -7.772 -3.309 -2.684
13 HB THR 23 HB THR 23 -5.492 -5.304 -2.864
14 HG1 THR 23 HG1 THR 23 -7.000 -6.559 -3.969
15 1HG2 THR 23 3HG2 THR 23 -8.236 -5.431 -1.526
16 2HG2 THR 23 1HG2 THR 23 -7.097 -6.787 -1.660
17 3HG2 THR 23 2HG2 THR 23 -6.665 -5.379 -0.686
18 H CYS 24 H CYS 24 -7.635 -2.691 -0.627
19 HA CYS 24 HA CYS 24 -5.664 -0.995 0.381
20 1HB CYS 24 1HB CYS 24 -8.082 -1.368 1.105
21 2HB CYS 24 2HB CYS 24 -7.520 -2.787 1.984
22 H TYR 25 H TYR 25 -4.073 -1.174 1.978
23 HA TYR 25 HA TYR 25 -2.619 -3.659 2.325
24 1HB TYR 25 1HB TYR 25 -1.099 -2.463 3.523
25 2HB TYR 25 2HB TYR 25 -1.716 -1.225 2.453
26 HD1 TYR 25 HD1 TYR 25 -0.663 -1.819 5.689
27 HD2 TYR 25 HD2 TYR 25 -3.978 0.023 3.623
28 HE1 TYR 25 HE1 TYR 25 -1.149 -0.433 7.694
29 HE2 TYR 25 HE2 TYR 25 -4.486 1.360 5.647
30 HH TYR 25 HH TYR 25 -2.546 1.117 8.640
31 H ASN 26 H ASN 26 -5.443 -2.444 3.875
32 HA ASN 26 HA ASN 26 -5.159 -4.438 6.093
33 1HB ASN 26 1HB ASN 26 -4.370 -2.172 6.784
34 2HB ASN 26 2HB ASN 26 -5.946 -1.503 6.369
35 1HD2 ASN 26 1HD2 ASN 26 -4.233 -3.714 8.584
36 2HD2 ASN 26 2HD2 ASN 26 -5.487 -3.680 9.815
37 H CYS 27 H CYS 27 -7.507 -2.287 4.374
38 HA CYS 27 HA CYS 27 -9.802 -3.450 5.613
39 1HB CYS 27 1HB CYS 27 -9.587 -1.836 3.035
40 2HB CYS 27 2HB CYS 27 -11.044 -2.095 3.999
41 H GLY 28 H GLY 28 -7.962 -4.508 2.843
42 1HA GLY 28 2HA GLY 28 -9.544 -6.849 2.339
43 2HA GLY 28 1HA GLY 28 -8.205 -6.249 1.364
44 H LYS 29 H LYS 29 -10.200 -3.664 1.288
45 HA LYS 29 HA LYS 29 -12.194 -4.562 -0.709
46 1HB LYS 29 1HB LYS 29 -11.612 -2.025 0.793
47 2HB LYS 29 2HB LYS 29 -12.431 -1.900 -0.755
48 1HG LYS 29 1HG LYS 29 -14.049 -1.885 0.956
49 2HG LYS 29 2HG LYS 29 -14.249 -3.355 0.015
50 1HD LYS 29 1HD LYS 29 -12.681 -3.366 2.618
51 2HD LYS 29 2HD LYS 29 -14.445 -3.387 2.630
52 1HE LYS 29 1HE LYS 29 -14.519 -5.435 1.310
53 2HE LYS 29 2HE LYS 29 -12.760 -5.446 1.155
54 1HZ LYS 29 2HZ LYS 29 -14.224 -5.679 3.725
55 2HZ LYS 29 3HZ LYS 29 -13.485 -6.909 2.946
56 3HZ LYS 29 1HZ LYS 29 -12.592 -5.679 3.560
57 HA PRO 30 HA PRO 30 -9.280 -3.928 -4.147
58 1HB PRO 30 2HB PRO 30 -11.903 -3.872 -5.634
59 2HB PRO 30 1HB PRO 30 -10.372 -4.695 -6.070
60 1HG PRO 30 1HG PRO 30 -12.397 -6.106 -4.972
61 2HG PRO 30 2HG PRO 30 -10.716 -6.368 -4.396
62 1HD PRO 30 1HD PRO 30 -12.903 -4.711 -3.122
63 2HD PRO 30 2HD PRO 30 -11.755 -5.859 -2.369
64 H GLY 31 H GLY 31 -12.139 -1.867 -3.660
65 1HA GLY 31 2HA GLY 31 -12.704 0.254 -4.345
66 2HA GLY 31 1HA GLY 31 -11.419 0.180 -5.549
67 H HIS 32 H HIS 32 -9.310 -0.254 -3.463
68 HA HIS 32 HA HIS 32 -9.322 2.310 -1.985
69 1HB HIS 32 1HB HIS 32 -7.911 -0.298 -1.687
70 2HB HIS 32 2HB HIS 32 -7.029 1.144 -1.197
71 HD1 HIS 32 HD1 HIS 32 -10.551 -0.355 -0.515
72 HD2 HIS 32 HD2 HIS 32 -7.493 1.946 1.195
73 HE1 HIS 32 HE1 HIS 32 -11.289 0.146 1.892
74 H LEU 33 H LEU 33 -7.422 3.533 -1.827
75 HA LEU 33 HA LEU 33 -5.732 3.982 -4.189
76 1HB LEU 33 1HB LEU 33 -7.876 5.924 -3.171
77 2HB LEU 33 2HB LEU 33 -6.590 6.382 -4.276
78 HG LEU 33 HG LEU 33 -8.777 4.365 -4.929
79 1HD1 LEU 33 3HD1 LEU 33 -9.640 6.650 -4.668
80 2HD1 LEU 33 1HD1 LEU 33 -8.403 7.259 -5.788
81 3HD1 LEU 33 2HD1 LEU 33 -9.665 6.144 -6.364
82 1HD2 LEU 33 1HD2 LEU 33 -6.644 5.676 -6.681
83 2HD2 LEU 33 2HD2 LEU 33 -6.710 3.956 -6.234
84 3HD2 LEU 33 3HD2 LEU 33 -7.974 4.646 -7.258
85 H SER 34 H SER 34 -4.317 5.926 -3.710
86 HA SER 34 HA SER 34 -3.013 5.887 -1.184
87 1HB SER 34 1HB SER 34 -1.913 7.964 -2.076
88 2HB SER 34 2HB SER 34 -1.877 6.582 -3.188
89 HG SER 34 HG SER 34 -2.501 8.551 -4.227
90 H SER 35 H SER 35 -5.951 7.476 -2.017
91 HA SER 35 HA SER 35 -5.859 9.255 0.374
92 1HB SER 35 1HB SER 35 -7.785 10.368 -0.717
93 2HB SER 35 2HB SER 35 -6.331 10.371 -1.729
94 HG SER 35 HG SER 35 -8.236 9.757 -2.895
95 H GLN 36 H GLN 36 -7.105 6.214 -0.553
96 HA GLN 36 HA GLN 36 -9.600 6.381 1.017
97 1HB GLN 36 1HB GLN 36 -9.150 5.038 -1.195
98 2HB GLN 36 2HB GLN 36 -8.358 3.878 -0.137
99 1HG GLN 36 1HG GLN 36 -10.529 3.026 -0.273
100 2HG GLN 36 2HG GLN 36 -10.636 3.951 1.215
101 1HE2 GLN 36 1HE2 GLN 36 -11.721 3.682 -2.163
102 2HE2 GLN 36 2HE2 GLN 36 -12.857 5.016 -2.056
103 H CYS 37 H CYS 37 -6.385 4.920 1.231
104 HA CYS 37 HA CYS 37 -6.400 4.990 4.160
105 1HB CYS 37 1HB CYS 37 -6.005 2.439 2.540
106 2HB CYS 37 2HB CYS 37 -5.144 2.672 4.039
107 H ARG 38 H ARG 38 -4.086 4.405 4.888
108 HA ARG 38 HA ARG 38 -2.178 6.216 3.850
109 1HB ARG 38 1HB ARG 38 -1.879 3.733 5.586
110 2HB ARG 38 2HB ARG 38 -0.548 4.835 5.250
111 1HG ARG 38 1HG ARG 38 -1.236 6.385 6.704
112 2HG ARG 38 2HG ARG 38 -2.902 6.342 6.153
113 1HD ARG 38 1HD ARG 38 -1.651 4.319 8.059
114 2HD ARG 38 2HD ARG 38 -2.597 5.715 8.568
115 HE ARG 38 HE ARG 38 -3.589 3.184 7.594
116 1HH1 ARG 38 2HH1 ARG 38 -4.522 6.566 7.817
117 2HH1 ARG 38 1HH1 ARG 38 -6.214 6.194 7.650
118 1HH2 ARG 38 1HH2 ARG 38 -5.749 2.804 7.342
119 2HH2 ARG 38 2HH2 ARG 38 -6.877 4.122 7.323
120 H ALA 39 H ALA 39 -2.639 2.825 2.883
121 HA ALA 39 HA ALA 39 -1.353 3.442 0.375
122 1HB ALA 39 1HB ALA 39 0.665 2.888 1.724
123 2HB ALA 39 2HB ALA 39 -0.083 1.337 2.185
124 3HB ALA 39 3HB ALA 39 0.376 1.639 0.505
125 HA PRO 40 HA PRO 40 -3.671 -0.390 -0.782
126 1HB PRO 40 2HB PRO 40 -2.496 -0.985 -3.156
127 2HB PRO 40 1HB PRO 40 -3.626 0.392 -2.984
128 1HG PRO 40 1HG PRO 40 -0.590 0.447 -2.933
129 2HG PRO 40 2HG PRO 40 -1.698 1.491 -3.878
130 1HD PRO 40 1HD PRO 40 -0.614 2.250 -1.477
131 2HD PRO 40 2HD PRO 40 -2.243 2.776 -1.990
132 H LYS 41 H LYS 41 -2.980 -2.667 -1.259
133 HA LYS 41 HA LYS 41 -1.296 -3.692 0.707
134 1HB LYS 41 1HB LYS 41 -3.239 -4.732 -0.656
135 2HB LYS 41 2HB LYS 41 -2.013 -5.198 -1.835
136 1HG LYS 41 1HG LYS 41 -0.856 -6.535 -0.099
137 2HG LYS 41 2HG LYS 41 -2.004 -5.957 1.128
138 1HD LYS 41 1HD LYS 41 -3.869 -7.000 -0.177
139 2HD LYS 41 2HD LYS 41 -2.693 -7.660 -1.319
140 1HE LYS 41 1HE LYS 41 -2.779 -8.252 1.679
141 2HE LYS 41 2HE LYS 41 -3.498 -9.273 0.435
142 1HZ LYS 41 2HZ LYS 41 -1.269 -9.588 -0.511
143 2HZ LYS 41 3HZ LYS 41 -0.597 -8.680 0.676
144 3HZ LYS 41 1HZ LYS 41 -1.318 -10.096 1.036
145 H VAL 42 H VAL 42 -0.178 -2.520 -2.286
146 HA VAL 42 HA VAL 42 2.312 -3.847 -2.655
147 HB VAL 42 HB VAL 42 1.614 -0.907 -3.055
148 1HG1 VAL 42 3HG1 VAL 42 3.804 -2.611 -4.312
149 2HG1 VAL 42 1HG1 VAL 42 3.359 -0.972 -4.834
150 3HG1 VAL 42 2HG1 VAL 42 4.033 -1.220 -3.226
151 1HG2 VAL 42 3HG2 VAL 42 1.390 -3.265 -4.978
152 2HG2 VAL 42 1HG2 VAL 42 0.035 -2.329 -4.305
153 3HG2 VAL 42 2HG2 VAL 42 1.166 -1.559 -5.415
154 H CYS 43 H CYS 43 1.316 -1.496 -0.222
155 HA CYS 43 HA CYS 43 3.916 -1.637 1.187
156 1HB CYS 43 1HB CYS 43 3.922 0.191 -0.565
157 2HB CYS 43 2HB CYS 43 2.595 0.969 0.306
158 H PHE 44 H PHE 44 3.273 0.469 2.890
159 HA PHE 44 HA PHE 44 0.622 0.006 4.129
160 1HB PHE 44 1HB PHE 44 1.440 -0.286 6.310
161 2HB PHE 44 2HB PHE 44 2.369 -1.400 5.325
162 HD1 PHE 44 HD1 PHE 44 2.475 1.429 7.600
163 HD2 PHE 44 HD2 PHE 44 4.785 -0.730 4.660
164 HE1 PHE 44 HE1 PHE 44 4.552 2.494 8.445
165 HE2 PHE 44 HE2 PHE 44 6.855 0.345 5.508
166 HZ PHE 44 HZ PHE 44 6.744 1.960 7.394
167 H LYS 45 H LYS 45 3.257 2.181 3.353
168 HA LYS 45 HA LYS 45 1.621 4.527 4.055
169 1HB LYS 45 1HB LYS 45 2.710 3.899 6.200
170 2HB LYS 45 2HB LYS 45 4.297 4.021 5.439
171 1HG LYS 45 1HG LYS 45 3.917 6.447 5.043
172 2HG LYS 45 2HG LYS 45 2.290 6.305 5.745
173 1HD LYS 45 1HD LYS 45 3.291 5.596 7.906
174 2HD LYS 45 2HD LYS 45 4.916 5.724 7.197
175 1HE LYS 45 1HE LYS 45 4.532 8.139 6.758
176 2HE LYS 45 2HE LYS 45 2.913 8.015 7.459
177 1HZ LYS 45 1HZ LYS 45 3.952 7.400 9.580
178 2HZ LYS 45 2HZ LYS 45 5.449 7.519 8.933
179 3HZ LYS 45 3HZ LYS 45 4.516 8.846 9.081
180 H CYS 46 H CYS 46 5.043 3.681 3.190
181 HA CYS 46 HA CYS 46 5.451 6.197 1.926
182 1HB CYS 46 1HB CYS 46 7.634 4.908 1.196
183 2HB CYS 46 2HB CYS 46 7.352 5.436 2.849
184 H LYS 47 H LYS 47 4.562 3.090 0.552
185 HA LYS 47 HA LYS 47 3.974 2.417 -1.555
186 1HB LYS 47 1HB LYS 47 1.928 3.530 -2.228
187 2HB LYS 47 2HB LYS 47 2.044 3.347 -0.485
188 1HG LYS 47 1HG LYS 47 2.717 5.723 -0.265
189 2HG LYS 47 2HG LYS 47 2.589 5.936 -2.011
190 1HD LYS 47 1HD LYS 47 0.223 5.601 -1.970
191 2HD LYS 47 2HD LYS 47 0.246 4.969 -0.319
192 1HE LYS 47 1HE LYS 47 1.103 7.810 -1.018
193 2HE LYS 47 2HE LYS 47 -0.560 7.384 -0.595
194 1HZ LYS 47 3HZ LYS 47 1.756 6.894 1.206
195 2HZ LYS 47 1HZ LYS 47 0.687 8.134 1.357
196 3HZ LYS 47 2HZ LYS 47 0.205 6.574 1.538
197 H GLN 48 H GLN 48 6.446 4.071 -1.924
198 HA GLN 48 HA GLN 48 6.166 5.466 -4.411
199 1HB GLN 48 1HB GLN 48 8.637 4.196 -3.171
200 2HB GLN 48 2HB GLN 48 8.653 5.336 -4.509
201 1HG GLN 48 1HG GLN 48 7.788 5.894 -1.645
202 2HG GLN 48 2HG GLN 48 9.225 6.482 -2.456
203 1HE2 GLN 48 2HE2 GLN 48 5.931 7.190 -1.760
204 2HE2 GLN 48 1HE2 GLN 48 5.797 8.589 -2.830
205 HA PRO 49 HA PRO 49 5.558 2.649 -7.535
206 1HB PRO 49 2HB PRO 49 8.032 3.641 -8.967
207 2HB PRO 49 1HB PRO 49 6.394 3.345 -9.631
208 1HG PRO 49 1HG PRO 49 7.133 5.853 -8.970
209 2HG PRO 49 2HG PRO 49 5.509 5.255 -8.494
210 1HD PRO 49 1HD PRO 49 7.995 5.505 -6.803
211 2HD PRO 49 2HD PRO 49 6.294 5.884 -6.404
212 H GLY 50 H GLY 50 8.904 2.276 -6.416
213 1HA GLY 50 2HA GLY 50 10.041 0.246 -7.702
214 2HA GLY 50 1HA GLY 50 8.730 -0.655 -6.941
215 H HIS 51 H HIS 51 9.271 1.471 -4.582
216 HA HIS 51 HA HIS 51 11.821 0.720 -3.492
217 1HB HIS 51 1HB HIS 51 11.210 2.004 -1.636
218 2HB HIS 51 2HB HIS 51 10.402 2.796 -2.976
219 HD1 HIS 51 HD1 HIS 51 7.560 1.780 -3.133
220 HD2 HIS 51 HD2 HIS 51 9.805 1.429 0.420
221 HE1 HIS 51 HE1 HIS 51 5.928 1.131 -1.309
222 H PHE 52 H PHE 52 8.644 -0.753 -3.250
223 HA PHE 52 HA PHE 52 8.780 -1.829 -0.702
224 1HB PHE 52 1HB PHE 52 6.920 -3.319 -1.446
225 2HB PHE 52 2HB PHE 52 6.697 -1.615 -1.769
226 HD1 PHE 52 HD1 PHE 52 7.221 -4.932 -3.316
227 HD2 PHE 52 HD2 PHE 52 6.642 -0.720 -4.060
228 HE1 PHE 52 HE1 PHE 52 6.750 -5.414 -5.702
229 HE2 PHE 52 HE2 PHE 52 6.170 -1.212 -6.443
230 HZ PHE 52 HZ PHE 52 6.227 -3.554 -7.272
231 H SER 53 H SER 53 9.769 -3.506 -3.725
232 HA SER 53 HA SER 53 10.493 -5.979 -2.602
233 1HB SER 53 1HB SER 53 11.790 -4.543 -4.946
234 2HB SER 53 2HB SER 53 11.855 -6.284 -4.612
235 HG SER 53 HG SER 53 10.218 -5.762 -6.132
236 H LYS 54 H LYS 54 11.965 -3.059 -1.787
237 HA LYS 54 HA LYS 54 14.408 -4.428 -0.730
238 1HB LYS 54 1HB LYS 54 14.238 -1.607 -1.879
239 2HB LYS 54 2HB LYS 54 15.636 -2.329 -1.093
240 1HG LYS 54 1HG LYS 54 16.295 -2.777 -3.191
241 2HG LYS 54 2HG LYS 54 15.332 -4.221 -2.946
242 1HD LYS 54 1HD LYS 54 14.776 -3.411 -5.099
243 2HD LYS 54 2HD LYS 54 13.391 -2.960 -4.097
244 1HE LYS 54 1HE LYS 54 14.289 -0.659 -3.873
245 2HE LYS 54 2HE LYS 54 15.718 -1.121 -4.806
246 1HZ LYS 54 2HZ LYS 54 14.235 -1.584 -6.699
247 2HZ LYS 54 3HZ LYS 54 12.927 -1.102 -5.835
248 3HZ LYS 54 1HZ LYS 54 14.098 -0.029 -6.224
249 H GLN 55 H GLN 55 11.565 -3.300 0.353
250 HA GLN 55 HA GLN 55 12.703 -2.621 2.985
251 1HB GLN 55 1HB GLN 55 12.612 -0.446 1.656
252 2HB GLN 55 2HB GLN 55 10.856 -0.623 1.618
253 1HG GLN 55 1HG GLN 55 10.933 -0.693 4.186
254 2HG GLN 55 2HG GLN 55 12.649 -0.298 4.070
255 1HE2 GLN 55 1HE2 GLN 55 9.351 0.856 3.517
256 2HE2 GLN 55 2HE2 GLN 55 9.766 2.557 3.383
257 H CYS 56 H CYS 56 9.609 -2.698 1.149
258 HA CYS 56 HA CYS 56 8.148 -3.394 3.641
259 1HB CYS 56 1HB CYS 56 7.184 -2.153 1.033
260 2HB CYS 56 2HB CYS 56 6.219 -2.414 2.488
261 H ARG 57 H ARG 57 9.217 -4.919 0.870
262 HA ARG 57 HA ARG 57 7.567 -7.318 1.355
263 1HB ARG 57 1HB ARG 57 6.715 -5.611 -0.561
264 2HB ARG 57 2HB ARG 57 7.974 -6.378 -1.504
265 1HG ARG 57 1HG ARG 57 5.710 -7.334 -1.851
266 2HG ARG 57 2HG ARG 57 6.864 -8.547 -1.308
267 1HD ARG 57 1HD ARG 57 4.569 -8.686 -0.240
268 2HD ARG 57 2HD ARG 57 5.916 -8.637 0.878
269 HE ARG 57 HE ARG 57 5.369 -6.432 1.550
270 1HH1 ARG 57 1HH1 ARG 57 3.070 -7.421 -0.935
271 2HH1 ARG 57 2HH1 ARG 57 2.010 -6.076 -0.527
272 1HH2 ARG 57 2HH2 ARG 57 3.939 -4.825 1.955
273 2HH2 ARG 57 1HH2 ARG 57 2.464 -4.711 1.004
274 H SER 58 H SER 58 10.551 -6.161 1.200
275 HA SER 58 HA SER 58 12.115 -7.952 -0.377
276 1HB SER 58 1HB SER 58 13.916 -7.274 1.318
277 2HB SER 58 2HB SER 58 13.177 -6.008 0.336
278 HG SER 58 HG SER 58 12.440 -6.669 3.014
No H/Q in entry = 278
Start of MODEL 22
1 H1 GLN 22 H2 GLN 22 -7.096 0.598 -5.724
2 H2 GLN 22 H1 GLN 22 -7.134 0.051 -7.278
3 H3 GLN 22 H3 GLN 22 -8.163 -0.564 -6.152
4 HA GLN 22 HA GLN 22 -6.432 -2.148 -6.563
5 1HB GLN 22 1HB GLN 22 -4.745 -0.439 -7.285
6 2HB GLN 22 2HB GLN 22 -4.536 0.037 -5.591
7 1HG GLN 22 1HG GLN 22 -3.737 -2.270 -5.055
8 2HG GLN 22 2HG GLN 22 -4.047 -2.759 -6.724
9 1HE2 GLN 22 1HE2 GLN 22 -1.867 -3.278 -7.266
10 2HE2 GLN 22 2HE2 GLN 22 -0.620 -2.041 -7.303
11 H THR 23 H THR 23 -6.436 -3.635 -4.920
12 HA THR 23 HA THR 23 -7.827 -3.249 -2.618
13 HB THR 23 HB THR 23 -5.604 -5.292 -2.900
14 HG1 THR 23 HG1 THR 23 -7.158 -6.497 -3.998
15 1HG2 THR 23 2HG2 THR 23 -8.333 -5.405 -1.522
16 2HG2 THR 23 3HG2 THR 23 -7.200 -6.762 -1.686
17 3HG2 THR 23 1HG2 THR 23 -6.752 -5.368 -0.700
18 H CYS 24 H CYS 24 -7.579 -2.676 -0.567
19 HA CYS 24 HA CYS 24 -5.578 -1.011 0.387
20 1HB CYS 24 1HB CYS 24 -7.958 -1.447 1.207
21 2HB CYS 24 2HB CYS 24 -7.323 -2.856 2.052
22 H TYR 25 H TYR 25 -3.939 -1.204 1.953
23 HA TYR 25 HA TYR 25 -2.430 -3.677 2.188
24 1HB TYR 25 1HB TYR 25 -0.902 -2.491 3.364
25 2HB TYR 25 2HB TYR 25 -1.579 -1.214 2.381
26 HD1 TYR 25 HD1 TYR 25 -0.429 -1.997 5.554
27 HD2 TYR 25 HD2 TYR 25 -3.788 -0.039 3.678
28 HE1 TYR 25 HE1 TYR 25 -0.913 -0.782 7.673
29 HE2 TYR 25 HE2 TYR 25 -4.299 1.123 5.804
30 HH TYR 25 HH TYR 25 -3.735 1.387 8.034
31 H ASN 26 H ASN 26 -5.239 -2.548 3.776
32 HA ASN 26 HA ASN 26 -4.909 -4.463 6.070
33 1HB ASN 26 1HB ASN 26 -4.307 -2.233 6.803
34 2HB ASN 26 2HB ASN 26 -5.723 -1.521 6.035
35 1HD2 ASN 26 1HD2 ASN 26 -7.766 -1.625 7.104
36 2HD2 ASN 26 2HD2 ASN 26 -7.873 -2.217 8.754
37 H CYS 27 H CYS 27 -7.305 -2.442 4.301
38 HA CYS 27 HA CYS 27 -9.510 -3.600 5.676
39 1HB CYS 27 1HB CYS 27 -9.439 -1.809 3.220
40 2HB CYS 27 2HB CYS 27 -10.806 -2.038 4.319
41 H GLY 28 H GLY 28 -7.894 -4.886 2.977
42 1HA GLY 28 2HA GLY 28 -9.675 -7.032 2.546
43 2HA GLY 28 1HA GLY 28 -8.367 -6.548 1.463
44 H LYS 29 H LYS 29 -9.612 -3.894 0.948
45 HA LYS 29 HA LYS 29 -12.041 -4.616 -0.644
46 1HB LYS 29 1HB LYS 29 -11.368 -2.373 1.191
47 2HB LYS 29 2HB LYS 29 -12.235 -1.912 -0.268
48 1HG LYS 29 1HG LYS 29 -13.201 -4.156 1.541
49 2HG LYS 29 2HG LYS 29 -13.636 -2.458 1.783
50 1HD LYS 29 1HD LYS 29 -14.593 -2.345 -0.500
51 2HD LYS 29 2HD LYS 29 -14.207 -4.059 -0.758
52 1HE LYS 29 1HE LYS 29 -15.657 -4.684 1.145
53 2HE LYS 29 2HE LYS 29 -16.018 -2.979 1.446
54 1HZ LYS 29 2HZ LYS 29 -16.715 -4.443 -1.046
55 2HZ LYS 29 3HZ LYS 29 -17.767 -4.034 0.131
56 3HZ LYS 29 1HZ LYS 29 -17.051 -2.870 -0.756
57 HA PRO 30 HA PRO 30 -9.326 -3.780 -4.178
58 1HB PRO 30 2HB PRO 30 -12.045 -3.809 -5.496
59 2HB PRO 30 1HB PRO 30 -10.501 -4.510 -6.077
60 1HG PRO 30 1HG PRO 30 -12.331 -6.100 -4.893
61 2HG PRO 30 2HG PRO 30 -10.600 -6.258 -4.445
62 1HD PRO 30 1HD PRO 30 -12.808 -4.834 -2.957
63 2HD PRO 30 2HD PRO 30 -11.501 -5.883 -2.328
64 H GLY 31 H GLY 31 -12.217 -1.813 -3.509
65 1HA GLY 31 2HA GLY 31 -12.823 0.338 -4.052
66 2HA GLY 31 1HA GLY 31 -11.613 0.329 -5.331
67 H HIS 32 H HIS 32 -9.403 -0.216 -3.343
68 HA HIS 32 HA HIS 32 -9.318 2.309 -1.806
69 1HB HIS 32 1HB HIS 32 -7.920 -0.322 -1.627
70 2HB HIS 32 2HB HIS 32 -7.021 1.103 -1.119
71 HD1 HIS 32 HD1 HIS 32 -10.419 -0.568 -0.320
72 HD2 HIS 32 HD2 HIS 32 -7.487 1.971 1.261
73 HE1 HIS 32 HE1 HIS 32 -11.112 -0.095 2.111
74 H LEU 33 H LEU 33 -7.488 3.558 -1.716
75 HA LEU 33 HA LEU 33 -5.681 3.960 -3.978
76 1HB LEU 33 1HB LEU 33 -7.956 5.877 -3.236
77 2HB LEU 33 2HB LEU 33 -6.586 6.344 -4.229
78 HG LEU 33 HG LEU 33 -8.666 4.265 -5.017
79 1HD1 LEU 33 2HD1 LEU 33 -9.556 6.553 -4.934
80 2HD1 LEU 33 3HD1 LEU 33 -8.217 7.124 -5.956
81 3HD1 LEU 33 1HD1 LEU 33 -9.414 5.978 -6.603
82 1HD2 LEU 33 1HD2 LEU 33 -6.370 5.522 -6.597
83 2HD2 LEU 33 2HD2 LEU 33 -6.475 3.821 -6.095
84 3HD2 LEU 33 3HD2 LEU 33 -7.631 4.463 -7.265
85 H SER 34 H SER 34 -4.320 5.952 -3.444
86 HA SER 34 HA SER 34 -3.310 6.172 -0.827
87 1HB SER 34 1HB SER 34 -3.394 8.277 -3.023
88 2HB SER 34 2HB SER 34 -2.280 8.256 -1.646
89 HG SER 34 HG SER 34 -1.456 7.343 -3.674
90 H SER 35 H SER 35 -6.261 7.546 -2.057
91 HA SER 35 HA SER 35 -6.578 9.469 0.176
92 1HB SER 35 1HB SER 35 -8.605 10.130 -1.117
93 2HB SER 35 2HB SER 35 -7.099 10.274 -2.040
94 HG SER 35 HG SER 35 -8.787 9.243 -3.237
95 H GLN 36 H GLN 36 -7.206 6.196 -0.288
96 HA GLN 36 HA GLN 36 -9.748 6.194 1.286
97 1HB GLN 36 1HB GLN 36 -9.413 5.005 -1.032
98 2HB GLN 36 2HB GLN 36 -8.495 3.826 -0.105
99 1HG GLN 36 1HG GLN 36 -10.626 2.876 -0.116
100 2HG GLN 36 2HG GLN 36 -10.658 3.721 1.422
101 1HE2 GLN 36 2HE2 GLN 36 -11.928 3.615 -1.903
102 2HE2 GLN 36 1HE2 GLN 36 -13.148 4.854 -1.635
103 H CYS 37 H CYS 37 -6.458 4.807 1.192
104 HA CYS 37 HA CYS 37 -6.319 4.913 4.102
105 1HB CYS 37 1HB CYS 37 -5.964 2.317 2.560
106 2HB CYS 37 2HB CYS 37 -4.958 2.616 3.945
107 H ARG 38 H ARG 38 -4.061 4.499 4.803
108 HA ARG 38 HA ARG 38 -2.150 6.245 3.801
109 1HB ARG 38 1HB ARG 38 -1.689 3.642 5.328
110 2HB ARG 38 2HB ARG 38 -0.548 4.970 5.171
111 1HG ARG 38 1HG ARG 38 -1.333 5.739 7.085
112 2HG ARG 38 2HG ARG 38 -2.744 6.304 6.213
113 1HD ARG 38 1HD ARG 38 -2.531 3.531 7.479
114 2HD ARG 38 2HD ARG 38 -3.067 4.927 8.385
115 HE ARG 38 HE ARG 38 -4.650 3.374 6.539
116 1HH1 ARG 38 1HH2 ARG 38 -4.446 6.530 8.042
117 2HH1 ARG 38 2HH2 ARG 38 -6.152 6.820 7.850
118 1HH2 ARG 38 2HH1 ARG 38 -6.791 3.894 6.156
119 2HH2 ARG 38 1HH1 ARG 38 -7.432 5.352 6.854
120 H ALA 39 H ALA 39 -2.543 2.832 2.830
121 HA ALA 39 HA ALA 39 -1.390 3.466 0.263
122 1HB ALA 39 1HB ALA 39 0.701 2.991 1.541
123 2HB ALA 39 2HB ALA 39 0.022 1.419 2.037
124 3HB ALA 39 3HB ALA 39 0.404 1.724 0.339
125 HA PRO 40 HA PRO 40 -3.685 -0.410 -0.749
126 1HB PRO 40 2HB PRO 40 -2.652 -0.990 -3.193
127 2HB PRO 40 1HB PRO 40 -3.768 0.385 -2.941
128 1HG PRO 40 1HG PRO 40 -0.736 0.447 -3.069
129 2HG PRO 40 2HG PRO 40 -1.901 1.491 -3.944
130 1HD PRO 40 1HD PRO 40 -0.684 2.243 -1.605
131 2HD PRO 40 2HD PRO 40 -2.340 2.766 -2.026
132 H LYS 41 H LYS 41 -2.962 -2.679 -1.399
133 HA LYS 41 HA LYS 41 -1.202 -3.798 0.450
134 1HB LYS 41 1HB LYS 41 -3.149 -4.814 -0.844
135 2HB LYS 41 2HB LYS 41 -2.031 -5.080 -2.183
136 1HG LYS 41 1HG LYS 41 -0.670 -6.571 -0.777
137 2HG LYS 41 2HG LYS 41 -1.646 -6.165 0.650
138 1HD LYS 41 1HD LYS 41 -3.634 -7.186 -0.421
139 2HD LYS 41 2HD LYS 41 -2.664 -7.573 -1.861
140 1HE LYS 41 1HE LYS 41 -1.153 -8.967 -0.461
141 2HE LYS 41 2HE LYS 41 -2.116 -8.581 0.969
142 1HZ LYS 41 1HZ LYS 41 -3.120 -10.052 -1.413
143 2HZ LYS 41 2HZ LYS 41 -2.750 -10.726 0.025
144 3HZ LYS 41 3HZ LYS 41 -4.010 -9.697 -0.086
145 H VAL 42 H VAL 42 -0.187 -2.317 -2.424
146 HA VAL 42 HA VAL 42 2.344 -3.519 -2.953
147 HB VAL 42 HB VAL 42 1.513 -0.587 -3.056
148 1HG1 VAL 42 2HG1 VAL 42 3.795 -2.038 -4.454
149 2HG1 VAL 42 3HG1 VAL 42 3.267 -0.378 -4.811
150 3HG1 VAL 42 1HG1 VAL 42 3.945 -0.755 -3.230
151 1HG2 VAL 42 2HG2 VAL 42 1.437 -2.745 -5.213
152 2HG2 VAL 42 3HG2 VAL 42 0.026 -1.973 -4.455
153 3HG2 VAL 42 1HG2 VAL 42 1.104 -1.016 -5.467
154 H CYS 43 H CYS 43 1.311 -1.376 -0.307
155 HA CYS 43 HA CYS 43 3.953 -1.565 1.027
156 1HB CYS 43 1HB CYS 43 3.941 0.296 -0.686
157 2HB CYS 43 2HB CYS 43 2.653 1.078 0.235
158 H PHE 44 H PHE 44 3.298 0.624 2.726
159 HA PHE 44 HA PHE 44 0.705 0.073 4.040
160 1HB PHE 44 1HB PHE 44 1.557 -0.195 6.202
161 2HB PHE 44 2HB PHE 44 2.536 -1.263 5.215
162 HD1 PHE 44 HD1 PHE 44 2.508 1.575 7.479
163 HD2 PHE 44 HD2 PHE 44 4.913 -0.473 4.540
164 HE1 PHE 44 HE1 PHE 44 4.528 2.751 8.313
165 HE2 PHE 44 HE2 PHE 44 6.929 0.710 5.376
166 HZ PHE 44 HZ PHE 44 6.741 2.326 7.257
167 H LYS 45 H LYS 45 3.304 2.297 3.248
168 HA LYS 45 HA LYS 45 1.575 4.609 3.812
169 1HB LYS 45 1HB LYS 45 2.632 4.113 6.013
170 2HB LYS 45 2HB LYS 45 4.230 4.263 5.283
171 1HG LYS 45 1HG LYS 45 3.753 6.652 4.753
172 2HG LYS 45 2HG LYS 45 2.128 6.474 5.450
173 1HD LYS 45 1HD LYS 45 3.141 5.922 7.651
174 2HD LYS 45 2HD LYS 45 4.765 6.081 6.943
175 1HE LYS 45 1HE LYS 45 4.272 8.453 6.365
176 2HE LYS 45 2HE LYS 45 2.664 8.293 7.084
177 1HZ LYS 45 2HZ LYS 45 3.743 7.843 9.227
178 2HZ LYS 45 3HZ LYS 45 5.228 7.995 8.561
179 3HZ LYS 45 1HZ LYS 45 4.235 9.286 8.646
180 H CYS 46 H CYS 46 5.038 3.825 3.084
181 HA CYS 46 HA CYS 46 5.440 6.303 1.765
182 1HB CYS 46 1HB CYS 46 7.676 5.065 1.159
183 2HB CYS 46 2HB CYS 46 7.304 5.575 2.800
184 H LYS 47 H LYS 47 4.691 3.141 0.420
185 HA LYS 47 HA LYS 47 4.245 2.407 -1.707
186 1HB LYS 47 1HB LYS 47 2.176 3.387 -2.476
187 2HB LYS 47 2HB LYS 47 2.232 3.236 -0.726
188 1HG LYS 47 1HG LYS 47 2.784 5.663 -0.540
189 2HG LYS 47 2HG LYS 47 2.644 5.822 -2.293
190 1HD LYS 47 1HD LYS 47 0.300 5.271 -2.227
191 2HD LYS 47 2HD LYS 47 0.382 4.768 -0.533
192 1HE LYS 47 1HE LYS 47 1.029 7.598 -1.452
193 2HE LYS 47 2HE LYS 47 -0.600 7.084 -1.000
194 1HZ LYS 47 3HZ LYS 47 1.724 6.867 0.845
195 2HZ LYS 47 1HZ LYS 47 0.615 8.081 0.885
196 3HZ LYS 47 2HZ LYS 47 0.183 6.529 1.195
197 H GLN 48 H GLN 48 6.652 4.117 -1.994
198 HA GLN 48 HA GLN 48 6.457 5.516 -4.480
199 1HB GLN 48 1HB GLN 48 8.893 4.274 -3.136
200 2HB GLN 48 2HB GLN 48 8.951 5.416 -4.471
201 1HG GLN 48 1HG GLN 48 7.931 5.964 -1.656
202 2HG GLN 48 2HG GLN 48 9.407 6.564 -2.386
203 1HE2 GLN 48 2HE2 GLN 48 6.067 7.238 -1.888
204 2HE2 GLN 48 1HE2 GLN 48 5.985 8.636 -2.966
205 HA PRO 49 HA PRO 49 6.025 2.763 -7.668
206 1HB PRO 49 2HB PRO 49 8.572 3.764 -8.960
207 2HB PRO 49 1HB PRO 49 6.967 3.488 -9.710
208 1HG PRO 49 1HG PRO 49 7.678 5.978 -8.968
209 2HG PRO 49 2HG PRO 49 6.031 5.376 -8.578
210 1HD PRO 49 1HD PRO 49 8.441 5.583 -6.775
211 2HD PRO 49 2HD PRO 49 6.729 5.968 -6.446
212 H GLY 50 H GLY 50 9.231 2.245 -6.291
213 1HA GLY 50 2HA GLY 50 10.424 0.222 -7.571
214 2HA GLY 50 1HA GLY 50 9.007 -0.643 -6.978
215 H HIS 51 H HIS 51 9.699 1.562 -4.581
216 HA HIS 51 HA HIS 51 12.022 0.536 -3.323
217 1HB HIS 51 1HB HIS 51 11.448 1.929 -1.538
218 2HB HIS 51 2HB HIS 51 10.729 2.746 -2.917
219 HD1 HIS 51 HD1 HIS 51 7.848 1.878 -3.151
220 HD2 HIS 51 HD2 HIS 51 9.955 1.464 0.476
221 HE1 HIS 51 HE1 HIS 51 6.130 1.296 -1.375
222 H PHE 52 H PHE 52 8.729 -0.653 -3.239
223 HA PHE 52 HA PHE 52 8.625 -1.704 -0.660
224 1HB PHE 52 1HB PHE 52 6.709 -3.092 -1.620
225 2HB PHE 52 2HB PHE 52 6.599 -1.350 -1.716
226 HD1 PHE 52 HD1 PHE 52 6.551 -0.177 -3.835
227 HD2 PHE 52 HD2 PHE 52 7.130 -4.453 -3.709
228 HE1 PHE 52 HE1 PHE 52 6.160 -0.303 -6.273
229 HE2 PHE 52 HE2 PHE 52 6.758 -4.568 -6.157
230 HZ PHE 52 HZ PHE 52 6.277 -2.493 -7.448
231 H SER 53 H SER 53 9.596 -3.438 -3.638
232 HA SER 53 HA SER 53 9.967 -6.007 -2.527
233 1HB SER 53 1HB SER 53 11.511 -4.681 -4.791
234 2HB SER 53 2HB SER 53 11.375 -6.426 -4.490
235 HG SER 53 HG SER 53 9.874 -5.703 -6.070
236 H LYS 54 H LYS 54 11.731 -3.250 -1.692
237 HA LYS 54 HA LYS 54 14.070 -4.818 -0.660
238 1HB LYS 54 1HB LYS 54 14.045 -1.950 -1.684
239 2HB LYS 54 2HB LYS 54 15.453 -2.847 -1.132
240 1HG LYS 54 1HG LYS 54 13.826 -3.478 -3.634
241 2HG LYS 54 2HG LYS 54 15.362 -2.622 -3.579
242 1HD LYS 54 1HD LYS 54 16.515 -4.606 -2.719
243 2HD LYS 54 2HD LYS 54 14.988 -5.507 -2.658
244 1HE LYS 54 1HE LYS 54 14.708 -5.189 -5.113
245 2HE LYS 54 2HE LYS 54 16.258 -4.341 -5.172
246 1HZ LYS 54 1HZ LYS 54 15.895 -7.171 -4.326
247 2HZ LYS 54 2HZ LYS 54 16.500 -6.688 -5.762
248 3HZ LYS 54 3HZ LYS 54 17.330 -6.388 -4.389
249 H GLN 55 H GLN 55 11.347 -3.429 0.469
250 HA GLN 55 HA GLN 55 12.598 -2.699 3.052
251 1HB GLN 55 1HB GLN 55 12.574 -0.622 1.579
252 2HB GLN 55 2HB GLN 55 10.812 -0.719 1.583
253 1HG GLN 55 1HG GLN 55 10.925 -0.597 4.142
254 2HG GLN 55 2HG GLN 55 12.658 -0.307 3.981
255 1HE2 GLN 55 1HE2 GLN 55 9.425 1.000 3.454
256 2HE2 GLN 55 2HE2 GLN 55 9.935 2.661 3.188
257 H CYS 56 H CYS 56 9.475 -2.886 1.272
258 HA CYS 56 HA CYS 56 8.050 -3.189 3.873
259 1HB CYS 56 1HB CYS 56 7.105 -2.141 1.174
260 2HB CYS 56 2HB CYS 56 6.149 -2.211 2.658
261 H ARG 57 H ARG 57 8.455 -4.729 0.759
262 HA ARG 57 HA ARG 57 6.704 -7.050 1.533
263 1HB ARG 57 1HB ARG 57 7.322 -5.962 -1.247
264 2HB ARG 57 2HB ARG 57 6.335 -7.372 -0.903
265 1HG ARG 57 1HG ARG 57 5.608 -4.503 -0.185
266 2HG ARG 57 2HG ARG 57 5.025 -5.425 -1.563
267 1HD ARG 57 1HD ARG 57 3.258 -5.722 -0.179
268 2HD ARG 57 2HD ARG 57 4.194 -7.141 0.281
269 HE ARG 57 HE ARG 57 5.083 -5.774 2.206
270 1HH1 ARG 57 1HH2 ARG 57 2.011 -4.674 0.875
271 2HH1 ARG 57 2HH2 ARG 57 1.780 -3.572 2.205
272 1HH2 ARG 57 1HH1 ARG 57 4.650 -4.504 3.848
273 2HH2 ARG 57 2HH1 ARG 57 3.124 -3.649 3.961
274 H SER 58 H SER 58 9.835 -6.132 1.284
275 HA SER 58 HA SER 58 11.240 -8.152 -0.117
276 1HB SER 58 1HB SER 58 13.102 -7.523 1.508
277 2HB SER 58 2HB SER 58 12.432 -6.236 0.501
278 HG SER 58 HG SER 58 11.658 -6.773 3.195
No H/Q in entry = 278
Start of MODEL 23
1 H1 GLN 22 H1 GLN 22 -8.059 -0.026 -7.095
2 H2 GLN 22 H3 GLN 22 -7.317 1.127 -6.194
3 H3 GLN 22 H2 GLN 22 -6.769 0.775 -7.709
4 HA GLN 22 HA GLN 22 -6.076 -1.396 -7.053
5 1HB GLN 22 1HB GLN 22 -5.037 0.572 -4.978
6 2HB GLN 22 2HB GLN 22 -4.228 -0.865 -5.578
7 1HG GLN 22 1HG GLN 22 -4.718 1.702 -7.143
8 2HG GLN 22 2HG GLN 22 -3.206 1.136 -6.462
9 1HE2 GLN 22 2HE2 GLN 22 -1.844 0.346 -8.081
10 2HE2 GLN 22 1HE2 GLN 22 -2.429 -0.555 -9.476
11 H THR 23 H THR 23 -5.243 -2.293 -4.578
12 HA THR 23 HA THR 23 -7.788 -2.817 -3.075
13 HB THR 23 HB THR 23 -5.495 -4.713 -3.720
14 HG1 THR 23 HG1 THR 23 -6.847 -4.456 -5.455
15 1HG2 THR 23 1HG2 THR 23 -8.084 -5.268 -2.209
16 2HG2 THR 23 2HG2 THR 23 -6.911 -6.482 -2.751
17 3HG2 THR 23 3HG2 THR 23 -6.441 -5.306 -1.521
18 H CYS 24 H CYS 24 -7.659 -2.829 -0.851
19 HA CYS 24 HA CYS 24 -5.809 -1.082 0.319
20 1HB CYS 24 1HB CYS 24 -8.208 -1.719 0.995
21 2HB CYS 24 2HB CYS 24 -7.496 -3.111 1.824
22 H TYR 25 H TYR 25 -4.232 -1.261 1.869
23 HA TYR 25 HA TYR 25 -2.607 -3.676 2.111
24 1HB TYR 25 1HB TYR 25 -1.124 -2.400 3.284
25 2HB TYR 25 2HB TYR 25 -1.802 -1.211 2.195
26 HD1 TYR 25 HD1 TYR 25 -0.725 -1.742 5.450
27 HD2 TYR 25 HD2 TYR 25 -4.061 0.020 3.350
28 HE1 TYR 25 HE1 TYR 25 -1.242 -0.342 7.438
29 HE2 TYR 25 HE2 TYR 25 -4.594 1.379 5.354
30 HH TYR 25 HH TYR 25 -2.675 1.187 8.364
31 H ASN 26 H ASN 26 -5.419 -2.556 3.727
32 HA ASN 26 HA ASN 26 -4.914 -4.292 6.132
33 1HB ASN 26 1HB ASN 26 -4.343 -1.997 6.653
34 2HB ASN 26 2HB ASN 26 -5.828 -1.388 5.925
35 1HD2 ASN 26 1HD2 ASN 26 -7.785 -1.457 7.132
36 2HD2 ASN 26 2HD2 ASN 26 -7.778 -1.939 8.821
37 H CYS 27 H CYS 27 -7.473 -2.499 4.331
38 HA CYS 27 HA CYS 27 -9.610 -3.646 5.814
39 1HB CYS 27 1HB CYS 27 -9.630 -2.211 3.125
40 2HB CYS 27 2HB CYS 27 -11.008 -2.435 4.208
41 H GLY 28 H GLY 28 -7.847 -4.998 3.177
42 1HA GLY 28 2HA GLY 28 -9.361 -7.400 2.958
43 2HA GLY 28 1HA GLY 28 -8.166 -6.816 1.790
44 H LYS 29 H LYS 29 -9.298 -4.521 0.820
45 HA LYS 29 HA LYS 29 -11.794 -5.377 -0.543
46 1HB LYS 29 1HB LYS 29 -11.653 -3.454 1.603
47 2HB LYS 29 2HB LYS 29 -11.834 -2.523 0.149
48 1HG LYS 29 1HG LYS 29 -13.991 -2.952 1.159
49 2HG LYS 29 2HG LYS 29 -13.899 -3.663 -0.444
50 1HD LYS 29 1HD LYS 29 -15.064 -5.163 1.105
51 2HD LYS 29 2HD LYS 29 -13.573 -5.907 0.543
52 1HE LYS 29 1HE LYS 29 -12.541 -4.838 2.735
53 2HE LYS 29 2HE LYS 29 -14.219 -4.720 3.265
54 1HZ LYS 29 1HZ LYS 29 -12.809 -7.194 2.414
55 2HZ LYS 29 2HZ LYS 29 -13.157 -6.797 3.958
56 3HZ LYS 29 3HZ LYS 29 -14.376 -7.152 2.920
57 HA PRO 30 HA PRO 30 -9.863 -3.137 -4.031
58 1HB PRO 30 2HB PRO 30 -11.937 -3.167 -5.787
59 2HB PRO 30 1HB PRO 30 -11.037 -4.650 -5.363
60 1HG PRO 30 1HG PRO 30 -13.652 -3.668 -4.170
61 2HG PRO 30 2HG PRO 30 -13.292 -5.285 -4.859
62 1HD PRO 30 1HD PRO 30 -13.137 -4.778 -2.192
63 2HD PRO 30 2HD PRO 30 -12.000 -5.897 -2.991
64 H GLY 31 H GLY 31 -11.084 -1.217 -5.525
65 1HA GLY 31 2HA GLY 31 -12.846 0.590 -4.175
66 2HA GLY 31 1HA GLY 31 -11.805 0.977 -5.552
67 H HIS 32 H HIS 32 -9.346 0.224 -4.058
68 HA HIS 32 HA HIS 32 -9.189 2.391 -2.012
69 1HB HIS 32 1HB HIS 32 -8.103 -0.401 -2.166
70 2HB HIS 32 2HB HIS 32 -7.118 0.824 -1.375
71 HD1 HIS 32 HD1 HIS 32 -10.730 -0.598 -1.011
72 HD2 HIS 32 HD2 HIS 32 -7.699 1.477 1.038
73 HE1 HIS 32 HE1 HIS 32 -11.502 -0.399 1.421
74 H LEU 33 H LEU 33 -7.460 3.644 -1.831
75 HA LEU 33 HA LEU 33 -5.382 3.980 -3.870
76 1HB LEU 33 1HB LEU 33 -7.729 5.906 -3.444
77 2HB LEU 33 2HB LEU 33 -6.258 6.351 -4.296
78 HG LEU 33 HG LEU 33 -8.238 4.244 -5.243
79 1HD1 LEU 33 2HD1 LEU 33 -9.134 6.526 -5.323
80 2HD1 LEU 33 3HD1 LEU 33 -7.696 7.074 -6.211
81 3HD1 LEU 33 1HD1 LEU 33 -8.813 5.904 -6.949
82 1HD2 LEU 33 1HD2 LEU 33 -5.790 5.465 -6.607
83 2HD2 LEU 33 2HD2 LEU 33 -5.935 3.782 -6.056
84 3HD2 LEU 33 3HD2 LEU 33 -6.966 4.370 -7.368
85 H SER 34 H SER 34 -4.114 6.020 -3.261
86 HA SER 34 HA SER 34 -3.383 6.348 -0.568
87 1HB SER 34 1HB SER 34 -3.327 8.436 -2.778
88 2HB SER 34 2HB SER 34 -2.300 8.398 -1.332
89 HG SER 34 HG SER 34 -1.363 7.524 -3.338
90 H SER 35 H SER 35 -6.212 7.639 -2.167
91 HA SER 35 HA SER 35 -6.814 9.631 -0.075
92 1HB SER 35 1HB SER 35 -8.772 10.093 -1.549
93 2HB SER 35 2HB SER 35 -7.211 10.259 -2.369
94 HG SER 35 HG SER 35 -8.751 9.063 -3.609
95 H GLN 36 H GLN 36 -7.291 6.301 -0.393
96 HA GLN 36 HA GLN 36 -9.875 6.291 1.117
97 1HB GLN 36 1HB GLN 36 -9.554 5.022 -1.122
98 2HB GLN 36 2HB GLN 36 -8.490 3.945 -0.216
99 1HG GLN 36 1HG GLN 36 -10.571 2.857 -0.214
100 2HG GLN 36 2HG GLN 36 -10.489 3.573 1.389
101 1HE2 GLN 36 2HE2 GLN 36 -12.110 3.604 -1.758
102 2HE2 GLN 36 1HE2 GLN 36 -13.378 4.731 -1.276
103 H CYS 37 H CYS 37 -6.565 4.971 1.091
104 HA CYS 37 HA CYS 37 -6.481 4.778 4.040
105 1HB CYS 37 1HB CYS 37 -6.085 2.488 2.075
106 2HB CYS 37 2HB CYS 37 -5.228 2.508 3.600
107 H ARG 38 H ARG 38 -4.192 4.309 4.730
108 HA ARG 38 HA ARG 38 -2.376 6.268 3.766
109 1HB ARG 38 1HB ARG 38 -1.959 3.798 5.500
110 2HB ARG 38 2HB ARG 38 -0.693 4.984 5.188
111 1HG ARG 38 1HG ARG 38 -1.471 6.419 6.698
112 2HG ARG 38 2HG ARG 38 -3.089 6.410 6.020
113 1HD ARG 38 1HD ARG 38 -1.992 4.350 7.979
114 2HD ARG 38 2HD ARG 38 -2.999 5.723 8.425
115 HE ARG 38 HE ARG 38 -3.860 3.195 7.341
116 1HH1 ARG 38 1HH1 ARG 38 -4.868 6.557 7.509
117 2HH1 ARG 38 2HH1 ARG 38 -6.536 6.157 7.211
118 1HH2 ARG 38 2HH2 ARG 38 -5.993 2.778 6.932
119 2HH2 ARG 38 1HH2 ARG 38 -7.137 4.075 6.833
120 H ALA 39 H ALA 39 -2.649 2.896 2.750
121 HA ALA 39 HA ALA 39 -1.345 3.608 0.278
122 1HB ALA 39 3HB ALA 39 0.669 3.056 1.639
123 2HB ALA 39 1HB ALA 39 -0.060 1.486 2.063
124 3HB ALA 39 2HB ALA 39 0.414 1.823 0.395
125 HA PRO 40 HA PRO 40 -3.659 -0.184 -0.956
126 1HB PRO 40 2HB PRO 40 -2.530 -0.735 -3.361
127 2HB PRO 40 1HB PRO 40 -3.604 0.677 -3.123
128 1HG PRO 40 1HG PRO 40 -0.568 0.633 -3.096
129 2HG PRO 40 2HG PRO 40 -1.648 1.731 -4.014
130 1HD PRO 40 1HD PRO 40 -0.546 2.402 -1.595
131 2HD PRO 40 2HD PRO 40 -2.160 2.982 -2.096
132 H LYS 41 H LYS 41 -3.002 -2.449 -1.537
133 HA LYS 41 HA LYS 41 -1.420 -3.640 0.384
134 1HB LYS 41 1HB LYS 41 -3.268 -4.563 -1.153
135 2HB LYS 41 2HB LYS 41 -1.993 -4.903 -2.322
136 1HG LYS 41 1HG LYS 41 -0.896 -6.411 -0.700
137 2HG LYS 41 2HG LYS 41 -2.080 -5.960 0.545
138 1HD LYS 41 1HD LYS 41 -3.905 -6.866 -0.894
139 2HD LYS 41 2HD LYS 41 -2.710 -7.390 -2.084
140 1HE LYS 41 1HE LYS 41 -2.824 -8.316 0.827
141 2HE LYS 41 2HE LYS 41 -3.544 -9.187 -0.528
142 1HZ LYS 41 1HZ LYS 41 -1.315 -9.407 -1.497
143 2HZ LYS 41 2HZ LYS 41 -0.640 -8.644 -0.214
144 3HZ LYS 41 3HZ LYS 41 -1.372 -10.085 -0.017
145 H VAL 42 H VAL 42 -0.134 -2.308 -2.492
146 HA VAL 42 HA VAL 42 2.358 -3.619 -2.819
147 HB VAL 42 HB VAL 42 1.688 -0.656 -3.087
148 1HG1 VAL 42 3HG1 VAL 42 3.918 -2.297 -4.352
149 2HG1 VAL 42 1HG1 VAL 42 3.499 -0.629 -4.795
150 3HG1 VAL 42 2HG1 VAL 42 4.113 -0.972 -3.182
151 1HG2 VAL 42 1HG2 VAL 42 1.533 -2.906 -5.141
152 2HG2 VAL 42 2HG2 VAL 42 0.157 -2.002 -4.471
153 3HG2 VAL 42 3HG2 VAL 42 1.330 -1.177 -5.493
154 H CYS 43 H CYS 43 1.316 -1.345 -0.319
155 HA CYS 43 HA CYS 43 3.875 -1.563 1.156
156 1HB CYS 43 1HB CYS 43 3.983 0.276 -0.586
157 2HB CYS 43 2HB CYS 43 2.655 1.084 0.256
158 H PHE 44 H PHE 44 3.279 0.525 2.872
159 HA PHE 44 HA PHE 44 0.564 0.187 4.022
160 1HB PHE 44 1HB PHE 44 1.320 -0.137 6.228
161 2HB PHE 44 2HB PHE 44 2.208 -1.300 5.261
162 HD1 PHE 44 HD1 PHE 44 2.427 1.496 7.558
163 HD2 PHE 44 HD2 PHE 44 4.667 -0.744 4.628
164 HE1 PHE 44 HE1 PHE 44 4.542 2.427 8.461
165 HE2 PHE 44 HE2 PHE 44 6.777 0.200 5.528
166 HZ PHE 44 HZ PHE 44 6.723 1.785 7.443
167 H LYS 45 H LYS 45 3.227 2.243 3.198
168 HA LYS 45 HA LYS 45 1.817 4.683 4.092
169 1HB LYS 45 1HB LYS 45 2.993 3.937 6.124
170 2HB LYS 45 2HB LYS 45 4.509 3.812 5.232
171 1HG LYS 45 1HG LYS 45 4.428 6.312 4.850
172 2HG LYS 45 2HG LYS 45 2.924 6.366 5.779
173 1HD LYS 45 1HD LYS 45 4.756 7.039 7.196
174 2HD LYS 45 2HD LYS 45 4.160 5.474 7.767
175 1HE LYS 45 1HE LYS 45 6.032 4.328 6.611
176 2HE LYS 45 2HE LYS 45 6.585 5.869 5.948
177 1HZ LYS 45 2HZ LYS 45 6.495 5.203 8.844
178 2HZ LYS 45 3HZ LYS 45 7.846 5.251 7.930
179 3HZ LYS 45 1HZ LYS 45 7.015 6.621 8.224
180 H CYS 46 H CYS 46 5.146 3.710 3.095
181 HA CYS 46 HA CYS 46 5.601 6.205 1.824
182 1HB CYS 46 1HB CYS 46 7.762 4.802 1.118
183 2HB CYS 46 2HB CYS 46 7.500 5.451 2.731
184 H LYS 47 H LYS 47 4.725 3.089 0.458
185 HA LYS 47 HA LYS 47 4.210 2.392 -1.667
186 1HB LYS 47 1HB LYS 47 2.160 3.464 -2.390
187 2HB LYS 47 2HB LYS 47 2.241 3.270 -0.645
188 1HG LYS 47 1HG LYS 47 2.869 5.666 -0.405
189 2HG LYS 47 2HG LYS 47 2.731 5.879 -2.152
190 1HD LYS 47 1HD LYS 47 0.372 5.422 -2.095
191 2HD LYS 47 2HD LYS 47 0.436 4.853 -0.421
192 1HE LYS 47 1HE LYS 47 1.198 7.689 -1.218
193 2HE LYS 47 2HE LYS 47 -0.458 7.226 -0.810
194 1HZ LYS 47 1HZ LYS 47 1.830 6.839 1.052
195 2HZ LYS 47 2HZ LYS 47 0.767 8.090 1.128
196 3HZ LYS 47 3HZ LYS 47 0.267 6.547 1.369
197 H GLN 48 H GLN 48 6.662 4.042 -1.976
198 HA GLN 48 HA GLN 48 6.456 5.436 -4.473
199 1HB GLN 48 1HB GLN 48 8.888 4.182 -3.137
200 2HB GLN 48 2HB GLN 48 8.948 5.313 -4.482
201 1HG GLN 48 1HG GLN 48 7.979 5.890 -1.656
202 2HG GLN 48 2HG GLN 48 9.443 6.474 -2.419
203 1HE2 GLN 48 2HE2 GLN 48 6.125 7.180 -1.848
204 2HE2 GLN 48 1HE2 GLN 48 6.027 8.572 -2.934
205 HA PRO 49 HA PRO 49 5.999 2.606 -7.611
206 1HB PRO 49 2HB PRO 49 8.537 3.589 -8.933
207 2HB PRO 49 1HB PRO 49 6.928 3.294 -9.670
208 1HG PRO 49 1HG PRO 49 7.642 5.802 -8.984
209 2HG PRO 49 2HG PRO 49 6.000 5.207 -8.574
210 1HD PRO 49 1HD PRO 49 8.415 5.450 -6.784
211 2HD PRO 49 2HD PRO 49 6.704 5.847 -6.457
212 H GLY 50 H GLY 50 9.240 2.179 -6.266
213 1HA GLY 50 2HA GLY 50 10.456 0.146 -7.476
214 2HA GLY 50 1HA GLY 50 9.061 -0.739 -6.862
215 H HIS 51 H HIS 51 9.661 1.508 -4.497
216 HA HIS 51 HA HIS 51 12.016 0.596 -3.212
217 1HB HIS 51 1HB HIS 51 11.359 1.950 -1.423
218 2HB HIS 51 2HB HIS 51 10.644 2.744 -2.815
219 HD1 HIS 51 HD1 HIS 51 7.791 1.759 -3.105
220 HD2 HIS 51 HD2 HIS 51 9.841 1.464 0.568
221 HE1 HIS 51 HE1 HIS 51 6.063 1.135 -1.357
222 H PHE 52 H PHE 52 8.772 -0.756 -3.141
223 HA PHE 52 HA PHE 52 8.796 -1.935 -0.602
224 1HB PHE 52 1HB PHE 52 6.920 -3.335 -1.483
225 2HB PHE 52 2HB PHE 52 6.742 -1.608 -1.689
226 HD1 PHE 52 HD1 PHE 52 6.743 -0.553 -3.907
227 HD2 PHE 52 HD2 PHE 52 7.248 -4.818 -3.462
228 HE1 PHE 52 HE1 PHE 52 6.315 -0.862 -6.325
229 HE2 PHE 52 HE2 PHE 52 6.824 -5.114 -5.887
230 HZ PHE 52 HZ PHE 52 6.361 -3.137 -7.325
231 H SER 53 H SER 53 9.844 -3.401 -3.699
232 HA SER 53 HA SER 53 10.438 -5.989 -2.805
233 1HB SER 53 1HB SER 53 11.897 -4.354 -4.914
234 2HB SER 53 2HB SER 53 11.901 -6.124 -4.767
235 HG SER 53 HG SER 53 10.360 -5.391 -6.303
236 H LYS 54 H LYS 54 12.013 -3.197 -1.695
237 HA LYS 54 HA LYS 54 14.193 -4.821 -0.492
238 1HB LYS 54 1HB LYS 54 15.831 -3.072 -0.932
239 2HB LYS 54 2HB LYS 54 15.152 -3.699 -2.429
240 1HG LYS 54 1HG LYS 54 13.714 -1.707 -2.665
241 2HG LYS 54 2HG LYS 54 14.252 -1.104 -1.091
242 1HD LYS 54 1HD LYS 54 15.409 0.108 -2.804
243 2HD LYS 54 2HD LYS 54 16.578 -0.928 -1.972
244 1HE LYS 54 1HE LYS 54 16.407 -2.589 -3.829
245 2HE LYS 54 2HE LYS 54 15.224 -1.554 -4.641
246 1HZ LYS 54 3HZ LYS 54 16.951 0.162 -4.813
247 2HZ LYS 54 1HZ LYS 54 18.042 -0.800 -4.064
248 3HZ LYS 54 2HZ LYS 54 17.457 -1.212 -5.530
249 H GLN 55 H GLN 55 11.532 -3.475 0.422
250 HA GLN 55 HA GLN 55 12.633 -2.761 3.049
251 1HB GLN 55 1HB GLN 55 12.600 -0.593 1.717
252 2HB GLN 55 2HB GLN 55 10.843 -0.741 1.640
253 1HG GLN 55 1HG GLN 55 10.863 -0.827 4.209
254 2HG GLN 55 2HG GLN 55 12.586 -0.452 4.132
255 1HE2 GLN 55 1HE2 GLN 55 9.317 0.754 3.573
256 2HE2 GLN 55 2HE2 GLN 55 9.758 2.449 3.436
257 H CYS 56 H CYS 56 9.541 -2.667 1.205
258 HA CYS 56 HA CYS 56 8.066 -3.445 3.649
259 1HB CYS 56 1HB CYS 56 7.115 -2.204 1.036
260 2HB CYS 56 2HB CYS 56 6.150 -2.453 2.492
261 H ARG 57 H ARG 57 9.192 -4.997 0.930
262 HA ARG 57 HA ARG 57 7.466 -7.358 1.283
263 1HB ARG 57 1HB ARG 57 6.659 -5.544 -0.549
264 2HB ARG 57 2HB ARG 57 7.905 -6.281 -1.528
265 1HG ARG 57 1HG ARG 57 5.641 -7.189 -1.940
266 2HG ARG 57 2HG ARG 57 6.755 -8.450 -1.424
267 1HD ARG 57 1HD ARG 57 4.452 -8.585 -0.395
268 2HD ARG 57 2HD ARG 57 5.773 -8.578 0.754
269 HE ARG 57 HE ARG 57 5.228 -6.388 1.469
270 1HH1 ARG 57 2HH2 ARG 57 3.009 -7.273 -1.124
271 2HH1 ARG 57 1HH2 ARG 57 1.953 -5.923 -0.720
272 1HH2 ARG 57 2HH1 ARG 57 3.799 -4.766 1.866
273 2HH2 ARG 57 1HH1 ARG 57 2.365 -4.606 0.860
274 H SER 58 H SER 58 10.356 -6.564 1.644
275 HA SER 58 HA SER 58 12.187 -7.663 -0.116
276 1HB SER 58 1HB SER 58 12.305 -7.794 2.916
277 2HB SER 58 2HB SER 58 13.677 -7.878 1.796
278 HG SER 58 HG SER 58 13.337 -5.744 2.645
No H/Q in entry = 278
Start of MODEL 24
1 H1 GLN 22 H2 GLN 22 -8.097 -0.428 -6.217
2 H2 GLN 22 H1 GLN 22 -7.051 0.740 -5.752
3 H3 GLN 22 H3 GLN 22 -7.055 0.218 -7.313
4 HA GLN 22 HA GLN 22 -6.347 -1.980 -6.625
5 1HB GLN 22 1HB GLN 22 -4.635 -0.321 -7.305
6 2HB GLN 22 2HB GLN 22 -4.528 0.265 -5.648
7 1HG GLN 22 1HG GLN 22 -2.646 -1.171 -6.142
8 2HG GLN 22 2HG GLN 22 -3.639 -1.943 -4.918
9 1HE2 GLN 22 2HE2 GLN 22 -1.877 -2.672 -7.645
10 2HE2 GLN 22 1HE2 GLN 22 -2.796 -4.080 -8.158
11 H THR 23 H THR 23 -6.226 -3.501 -5.020
12 HA THR 23 HA THR 23 -7.755 -3.229 -2.754
13 HB THR 23 HB THR 23 -5.453 -5.184 -3.066
14 HG1 THR 23 HG1 THR 23 -6.967 -6.412 -4.186
15 1HG2 THR 23 3HG2 THR 23 -8.163 -5.433 -1.675
16 2HG2 THR 23 1HG2 THR 23 -6.980 -6.741 -1.876
17 3HG2 THR 23 2HG2 THR 23 -6.581 -5.354 -0.858
18 H CYS 24 H CYS 24 -7.596 -2.676 -0.700
19 HA CYS 24 HA CYS 24 -5.663 -0.971 0.338
20 1HB CYS 24 1HB CYS 24 -8.074 -1.426 1.037
21 2HB CYS 24 2HB CYS 24 -7.477 -2.836 1.909
22 H TYR 25 H TYR 25 -4.075 -1.130 1.930
23 HA TYR 25 HA TYR 25 -2.563 -3.586 2.292
24 1HB TYR 25 1HB TYR 25 -1.072 -2.346 3.479
25 2HB TYR 25 2HB TYR 25 -1.710 -1.130 2.394
26 HD1 TYR 25 HD1 TYR 25 -0.648 -1.674 5.633
27 HD2 TYR 25 HD2 TYR 25 -4.002 0.081 3.556
28 HE1 TYR 25 HE1 TYR 25 -1.168 -0.292 7.631
29 HE2 TYR 25 HE2 TYR 25 -4.543 1.415 5.576
30 HH TYR 25 HH TYR 25 -2.606 1.224 8.573
31 H ASN 26 H ASN 26 -5.405 -2.424 3.778
32 HA ASN 26 HA ASN 26 -5.070 -4.214 6.173
33 1HB ASN 26 1HB ASN 26 -4.598 -1.910 6.782
34 2HB ASN 26 2HB ASN 26 -6.035 -1.326 5.949
35 1HD2 ASN 26 2HD2 ASN 26 -8.103 -1.519 6.977
36 2HD2 ASN 26 1HD2 ASN 26 -8.206 -2.017 8.659
37 H CYS 27 H CYS 27 -7.479 -2.438 4.184
38 HA CYS 27 HA CYS 27 -9.692 -3.706 5.491
39 1HB CYS 27 1HB CYS 27 -9.609 -1.926 3.026
40 2HB CYS 27 2HB CYS 27 -11.006 -2.232 4.064
41 H GLY 28 H GLY 28 -7.817 -4.868 2.907
42 1HA GLY 28 2HA GLY 28 -9.352 -7.164 2.383
43 2HA GLY 28 1HA GLY 28 -8.060 -6.541 1.353
44 H LYS 29 H LYS 29 -9.486 -4.040 0.742
45 HA LYS 29 HA LYS 29 -11.838 -4.966 -0.860
46 1HB LYS 29 1HB LYS 29 -12.369 -3.711 1.193
47 2HB LYS 29 2HB LYS 29 -11.378 -2.376 0.643
48 1HG LYS 29 1HG LYS 29 -13.641 -1.786 0.242
49 2HG LYS 29 2HG LYS 29 -12.939 -2.110 -1.343
50 1HD LYS 29 1HD LYS 29 -14.004 -4.361 -1.354
51 2HD LYS 29 2HD LYS 29 -14.630 -4.072 0.282
52 1HE LYS 29 1HE LYS 29 -15.906 -2.107 -0.569
53 2HE LYS 29 2HE LYS 29 -15.310 -2.432 -2.202
54 1HZ LYS 29 2HZ LYS 29 -16.994 -4.288 -0.598
55 2HZ LYS 29 3HZ LYS 29 -17.517 -3.389 -1.854
56 3HZ LYS 29 1HZ LYS 29 -16.448 -4.594 -2.108
57 HA PRO 30 HA PRO 30 -9.203 -3.705 -4.317
58 1HB PRO 30 2HB PRO 30 -11.894 -3.755 -5.688
59 2HB PRO 30 1HB PRO 30 -10.310 -4.344 -6.286
60 1HG PRO 30 1HG PRO 30 -12.077 -6.093 -5.243
61 2HG PRO 30 2HG PRO 30 -10.349 -6.197 -4.771
62 1HD PRO 30 1HD PRO 30 -12.650 -4.986 -3.240
63 2HD PRO 30 2HD PRO 30 -11.301 -6.005 -2.654
64 H GLY 31 H GLY 31 -12.155 -1.869 -3.585
65 1HA GLY 31 2HA GLY 31 -12.852 0.270 -4.051
66 2HA GLY 31 1HA GLY 31 -11.639 0.356 -5.326
67 H HIS 32 H HIS 32 -9.326 -0.028 -3.599
68 HA HIS 32 HA HIS 32 -9.374 2.417 -1.896
69 1HB HIS 32 1HB HIS 32 -7.944 -0.206 -1.685
70 2HB HIS 32 2HB HIS 32 -7.132 1.232 -1.079
71 HD1 HIS 32 HD1 HIS 32 -10.499 -0.602 -0.553
72 HD2 HIS 32 HD2 HIS 32 -7.784 2.006 1.293
73 HE1 HIS 32 HE1 HIS 32 -11.359 -0.241 1.842
74 H LEU 33 H LEU 33 -7.532 3.657 -1.716
75 HA LEU 33 HA LEU 33 -5.707 4.111 -3.961
76 1HB LEU 33 1HB LEU 33 -7.997 5.998 -3.183
77 2HB LEU 33 2HB LEU 33 -6.635 6.483 -4.185
78 HG LEU 33 HG LEU 33 -8.702 4.390 -4.977
79 1HD1 LEU 33 1HD1 LEU 33 -9.634 6.655 -4.851
80 2HD1 LEU 33 2HD1 LEU 33 -8.314 7.271 -5.874
81 3HD1 LEU 33 3HD1 LEU 33 -9.494 6.112 -6.529
82 1HD2 LEU 33 2HD2 LEU 33 -6.450 5.712 -6.569
83 2HD2 LEU 33 3HD2 LEU 33 -6.512 4.004 -6.084
84 3HD2 LEU 33 1HD2 LEU 33 -7.696 4.633 -7.232
85 H SER 34 H SER 34 -4.351 6.071 -3.403
86 HA SER 34 HA SER 34 -3.305 6.214 -0.806
87 1HB SER 34 1HB SER 34 -3.339 8.343 -2.979
88 2HB SER 34 2HB SER 34 -2.220 8.287 -1.605
89 HG SER 34 HG SER 34 -1.421 7.352 -3.627
90 H SER 35 H SER 35 -6.284 7.587 -1.819
91 HA SER 35 HA SER 35 -6.426 9.381 0.572
92 1HB SER 35 1HB SER 35 -8.114 9.416 -1.954
93 2HB SER 35 2HB SER 35 -8.206 10.561 -0.602
94 HG SER 35 HG SER 35 -6.936 11.375 -2.333
95 H GLN 36 H GLN 36 -7.286 6.296 -0.231
96 HA GLN 36 HA GLN 36 -9.890 6.319 1.235
97 1HB GLN 36 1HB GLN 36 -9.486 5.096 -1.045
98 2HB GLN 36 2HB GLN 36 -8.567 3.942 -0.086
99 1HG GLN 36 1HG GLN 36 -10.688 2.965 -0.163
100 2HG GLN 36 2HG GLN 36 -10.747 3.783 1.388
101 1HE2 GLN 36 2HE2 GLN 36 -12.080 3.599 -1.870
102 2HE2 GLN 36 1HE2 GLN 36 -13.278 4.868 -1.633
103 H CYS 37 H CYS 37 -6.609 4.949 1.254
104 HA CYS 37 HA CYS 37 -6.514 4.919 4.187
105 1HB CYS 37 1HB CYS 37 -6.102 2.453 2.445
106 2HB CYS 37 2HB CYS 37 -5.218 2.645 3.937
107 H ARG 38 H ARG 38 -4.179 4.418 4.838
108 HA ARG 38 HA ARG 38 -2.368 6.319 3.771
109 1HB ARG 38 1HB ARG 38 -1.932 3.857 5.510
110 2HB ARG 38 2HB ARG 38 -0.659 5.018 5.151
111 1HG ARG 38 1HG ARG 38 -1.383 6.511 6.641
112 2HG ARG 38 2HG ARG 38 -3.041 6.445 6.076
113 1HD ARG 38 1HD ARG 38 -1.770 4.431 7.976
114 2HD ARG 38 2HD ARG 38 -2.748 5.802 8.487
115 HE ARG 38 HE ARG 38 -3.682 3.261 7.494
116 1HH1 ARG 38 2HH1 ARG 38 -4.686 6.620 7.728
117 2HH1 ARG 38 1HH1 ARG 38 -6.370 6.212 7.559
118 1HH2 ARG 38 1HH2 ARG 38 -5.831 2.835 7.239
119 2HH2 ARG 38 2HH2 ARG 38 -6.988 4.127 7.227
120 H ALA 39 H ALA 39 -2.715 2.918 2.817
121 HA ALA 39 HA ALA 39 -1.400 3.545 0.320
122 1HB ALA 39 2HB ALA 39 0.599 3.048 1.722
123 2HB ALA 39 3HB ALA 39 -0.128 1.490 2.190
124 3HB ALA 39 1HB ALA 39 0.365 1.772 0.517
125 HA PRO 40 HA PRO 40 -3.654 -0.301 -0.865
126 1HB PRO 40 2HB PRO 40 -2.426 -0.897 -3.214
127 2HB PRO 40 1HB PRO 40 -3.564 0.478 -3.065
128 1HG PRO 40 1HG PRO 40 -0.530 0.538 -2.954
129 2HG PRO 40 2HG PRO 40 -1.621 1.583 -3.920
130 1HD PRO 40 1HD PRO 40 -0.586 2.339 -1.497
131 2HD PRO 40 2HD PRO 40 -2.205 2.863 -2.042
132 H LYS 41 H LYS 41 -2.960 -2.571 -1.348
133 HA LYS 41 HA LYS 41 -1.346 -3.670 0.619
134 1HB LYS 41 1HB LYS 41 -3.204 -4.696 -0.799
135 2HB LYS 41 2HB LYS 41 -1.989 -5.003 -2.041
136 1HG LYS 41 1HG LYS 41 -0.748 -6.462 -0.479
137 2HG LYS 41 2HG LYS 41 -1.871 -6.041 0.831
138 1HD LYS 41 1HD LYS 41 -3.737 -7.073 -0.443
139 2HD LYS 41 2HD LYS 41 -2.610 -7.481 -1.759
140 1HE LYS 41 1HE LYS 41 -1.270 -8.854 -0.166
141 2HE LYS 41 2HE LYS 41 -2.405 -8.457 1.130
142 1HZ LYS 41 1HZ LYS 41 -4.153 -9.585 -0.148
143 2HZ LYS 41 2HZ LYS 41 -3.102 -9.952 -1.346
144 3HZ LYS 41 3HZ LYS 41 -2.917 -10.611 0.134
145 H VAL 42 H VAL 42 -0.136 -2.441 -2.342
146 HA VAL 42 HA VAL 42 2.367 -3.718 -2.659
147 HB VAL 42 HB VAL 42 1.685 -0.768 -3.010
148 1HG1 VAL 42 1HG1 VAL 42 3.861 -2.470 -4.290
149 2HG1 VAL 42 2HG1 VAL 42 3.444 -0.811 -4.771
150 3HG1 VAL 42 3HG1 VAL 42 4.105 -1.110 -3.168
151 1HG2 VAL 42 3HG2 VAL 42 1.447 -3.087 -4.979
152 2HG2 VAL 42 1HG2 VAL 42 0.101 -2.139 -4.304
153 3HG2 VAL 42 2HG2 VAL 42 1.254 -1.369 -5.388
154 H CYS 43 H CYS 43 1.342 -1.390 -0.206
155 HA CYS 43 HA CYS 43 3.919 -1.567 1.240
156 1HB CYS 43 1HB CYS 43 3.990 0.249 -0.527
157 2HB CYS 43 2HB CYS 43 2.676 1.065 0.331
158 H PHE 44 H PHE 44 3.304 0.576 2.908
159 HA PHE 44 HA PHE 44 0.612 0.214 4.099
160 1HB PHE 44 1HB PHE 44 1.387 -0.067 6.303
161 2HB PHE 44 2HB PHE 44 2.277 -1.236 5.346
162 HD1 PHE 44 HD1 PHE 44 2.485 1.614 7.583
163 HD2 PHE 44 HD2 PHE 44 4.726 -0.684 4.699
164 HE1 PHE 44 HE1 PHE 44 4.599 2.592 8.444
165 HE2 PHE 44 HE2 PHE 44 6.836 0.301 5.561
166 HZ PHE 44 HZ PHE 44 6.777 1.942 7.429
167 H LYS 45 H LYS 45 3.277 2.294 3.265
168 HA LYS 45 HA LYS 45 1.765 4.704 4.050
169 1HB LYS 45 1HB LYS 45 2.936 4.070 6.130
170 2HB LYS 45 2HB LYS 45 4.469 3.990 5.277
171 1HG LYS 45 1HG LYS 45 4.365 6.003 6.574
172 2HG LYS 45 2HG LYS 45 4.377 6.441 4.867
173 1HD LYS 45 1HD LYS 45 1.936 6.867 4.939
174 2HD LYS 45 2HD LYS 45 1.884 6.319 6.633
175 1HE LYS 45 1HE LYS 45 3.493 8.130 7.242
176 2HE LYS 45 2HE LYS 45 3.492 8.689 5.565
177 1HZ LYS 45 3HZ LYS 45 1.105 9.158 5.799
178 2HZ LYS 45 1HZ LYS 45 1.115 8.643 7.353
179 3HZ LYS 45 2HZ LYS 45 1.951 9.974 6.929
180 H CYS 46 H CYS 46 5.137 3.809 3.075
181 HA CYS 46 HA CYS 46 5.474 6.298 1.720
182 1HB CYS 46 1HB CYS 46 7.725 5.162 1.124
183 2HB CYS 46 2HB CYS 46 7.343 5.557 2.798
184 H LYS 47 H LYS 47 4.709 3.101 0.488
185 HA LYS 47 HA LYS 47 4.175 2.315 -1.601
186 1HB LYS 47 1HB LYS 47 2.093 3.319 -2.327
187 2HB LYS 47 2HB LYS 47 2.203 3.201 -0.576
188 1HG LYS 47 1HG LYS 47 2.784 5.610 -0.437
189 2HG LYS 47 2HG LYS 47 2.644 5.754 -2.192
190 1HD LYS 47 1HD LYS 47 0.288 5.268 -2.116
191 2HD LYS 47 2HD LYS 47 0.364 4.767 -0.420
192 1HE LYS 47 1HE LYS 47 1.083 7.577 -1.340
193 2HE LYS 47 2HE LYS 47 -0.562 7.107 -0.897
194 1HZ LYS 47 2HZ LYS 47 1.750 6.832 0.959
195 2HZ LYS 47 3HZ LYS 47 0.669 8.071 0.994
196 3HZ LYS 47 1HZ LYS 47 0.193 6.532 1.304
197 H GLN 48 H GLN 48 6.593 3.976 -2.024
198 HA GLN 48 HA GLN 48 6.310 5.314 -4.541
199 1HB GLN 48 1HB GLN 48 8.781 4.090 -3.250
200 2HB GLN 48 2HB GLN 48 8.803 5.190 -4.623
201 1HG GLN 48 1HG GLN 48 7.897 5.834 -1.789
202 2HG GLN 48 2HG GLN 48 9.350 6.397 -2.595
203 1HE2 GLN 48 2HE2 GLN 48 6.037 7.119 -1.986
204 2HE2 GLN 48 1HE2 GLN 48 5.925 8.486 -3.099
205 HA PRO 49 HA PRO 49 5.740 2.429 -7.606
206 1HB PRO 49 2HB PRO 49 8.212 3.407 -9.051
207 2HB PRO 49 1HB PRO 49 6.576 3.089 -9.712
208 1HG PRO 49 1HG PRO 49 7.302 5.612 -9.099
209 2HG PRO 49 2HG PRO 49 5.680 5.015 -8.614
210 1HD PRO 49 1HD PRO 49 8.163 5.309 -6.926
211 2HD PRO 49 2HD PRO 49 6.462 5.692 -6.538
212 H GLY 50 H GLY 50 9.068 2.077 -6.437
213 1HA GLY 50 2HA GLY 50 10.241 0.043 -7.675
214 2HA GLY 50 1HA GLY 50 8.909 -0.859 -6.954
215 H HIS 51 H HIS 51 9.431 1.323 -4.609
216 HA HIS 51 HA HIS 51 11.924 0.524 -3.434
217 1HB HIS 51 1HB HIS 51 11.305 1.873 -1.633
218 2HB HIS 51 2HB HIS 51 10.523 2.646 -2.999
219 HD1 HIS 51 HD1 HIS 51 7.675 1.662 -3.170
220 HD2 HIS 51 HD2 HIS 51 9.875 1.325 0.412
221 HE1 HIS 51 HE1 HIS 51 6.021 1.020 -1.360
222 H PHE 52 H PHE 52 8.708 -0.879 -3.260
223 HA PHE 52 HA PHE 52 8.773 -1.889 -0.670
224 1HB PHE 52 1HB PHE 52 6.874 -3.329 -1.392
225 2HB PHE 52 2HB PHE 52 6.708 -1.628 -1.762
226 HD1 PHE 52 HD1 PHE 52 6.736 -0.792 -4.088
227 HD2 PHE 52 HD2 PHE 52 7.097 -5.003 -3.204
228 HE1 PHE 52 HE1 PHE 52 6.266 -1.336 -6.458
229 HE2 PHE 52 HE2 PHE 52 6.628 -5.536 -5.580
230 HZ PHE 52 HZ PHE 52 6.215 -3.703 -7.213
231 H SER 53 H SER 53 9.694 -3.678 -3.649
232 HA SER 53 HA SER 53 10.352 -6.149 -2.496
233 1HB SER 53 1HB SER 53 11.732 -4.759 -4.823
234 2HB SER 53 2HB SER 53 11.720 -6.501 -4.493
235 HG SER 53 HG SER 53 10.137 -5.900 -6.047
236 H LYS 54 H LYS 54 11.886 -3.259 -1.729
237 HA LYS 54 HA LYS 54 14.388 -4.584 -0.757
238 1HB LYS 54 1HB LYS 54 14.042 -1.814 -1.980
239 2HB LYS 54 2HB LYS 54 15.547 -2.453 -1.319
240 1HG LYS 54 1HG LYS 54 15.633 -4.205 -3.017
241 2HG LYS 54 2HG LYS 54 14.094 -3.682 -3.709
242 1HD LYS 54 1HD LYS 54 16.590 -1.945 -3.592
243 2HD LYS 54 2HD LYS 54 16.083 -2.915 -4.984
244 1HE LYS 54 1HE LYS 54 13.913 -1.664 -5.051
245 2HE LYS 54 2HE LYS 54 14.481 -0.644 -3.722
246 1HZ LYS 54 3HZ LYS 54 15.785 -0.851 -6.385
247 2HZ LYS 54 1HZ LYS 54 14.879 0.406 -5.875
248 3HZ LYS 54 2HZ LYS 54 16.311 0.091 -5.159
249 H GLN 55 H GLN 55 11.591 -3.381 0.399
250 HA GLN 55 HA GLN 55 12.816 -2.609 2.961
251 1HB GLN 55 1HB GLN 55 12.727 -0.482 1.585
252 2HB GLN 55 2HB GLN 55 10.969 -0.643 1.543
253 1HG GLN 55 1HG GLN 55 11.015 -0.615 4.104
254 2HG GLN 55 2HG GLN 55 12.742 -0.266 4.001
255 1HE2 GLN 55 1HE2 GLN 55 9.486 0.968 3.440
256 2HE2 GLN 55 2HE2 GLN 55 9.955 2.649 3.216
257 H CYS 56 H CYS 56 9.651 -2.607 1.240
258 HA CYS 56 HA CYS 56 8.269 -3.265 3.776
259 1HB CYS 56 1HB CYS 56 7.244 -2.107 1.152
260 2HB CYS 56 2HB CYS 56 6.308 -2.320 2.636
261 H ARG 57 H ARG 57 9.293 -4.933 1.091
262 HA ARG 57 HA ARG 57 7.570 -7.265 1.613
263 1HB ARG 57 1HB ARG 57 6.723 -5.544 -0.290
264 2HB ARG 57 2HB ARG 57 7.938 -6.343 -1.261
265 1HG ARG 57 1HG ARG 57 5.660 -7.258 -1.564
266 2HG ARG 57 2HG ARG 57 6.782 -8.494 -1.006
267 1HD ARG 57 1HD ARG 57 4.512 -8.569 0.089
268 2HD ARG 57 2HD ARG 57 5.860 -8.487 1.206
269 HE ARG 57 HE ARG 57 5.323 -6.254 1.791
270 1HH1 ARG 57 2HH2 ARG 57 3.038 -7.341 -0.664
271 2HH1 ARG 57 1HH2 ARG 57 1.993 -5.961 -0.348
272 1HH2 ARG 57 1HH1 ARG 57 3.894 -4.603 2.098
273 2HH2 ARG 57 2HH1 ARG 57 2.442 -4.520 1.108
274 H SER 58 H SER 58 10.476 -6.460 1.839
275 HA SER 58 HA SER 58 12.241 -7.687 0.086
276 1HB SER 58 1HB SER 58 12.473 -7.591 3.114
277 2HB SER 58 2HB SER 58 13.800 -7.769 1.952
278 HG SER 58 HG SER 58 13.513 -5.575 2.637
No H/Q in entry = 278
Start of MODEL 25
1 H1 GLN 22 H2 GLN 22 -7.824 -0.239 -7.233
2 H2 GLN 22 H1 GLN 22 -7.090 0.904 -6.313
3 H3 GLN 22 H3 GLN 22 -6.502 0.554 -7.805
4 HA GLN 22 HA GLN 22 -5.921 -1.679 -7.100
5 1HB GLN 22 1HB GLN 22 -4.731 0.574 -5.404
6 2HB GLN 22 2HB GLN 22 -4.118 -1.065 -5.428
7 1HG GLN 22 1HG GLN 22 -2.691 -0.020 -6.852
8 2HG GLN 22 2HG GLN 22 -3.792 -0.835 -7.949
9 1HE2 GLN 22 1HE2 GLN 22 -2.206 2.110 -7.395
10 2HE2 GLN 22 2HE2 GLN 22 -3.289 3.123 -8.341
11 H THR 23 H THR 23 -5.083 -2.373 -4.490
12 HA THR 23 HA THR 23 -7.686 -2.857 -3.084
13 HB THR 23 HB THR 23 -5.366 -4.768 -3.562
14 HG1 THR 23 HG1 THR 23 -6.823 -5.803 -4.910
15 1HG2 THR 23 2HG2 THR 23 -8.092 -5.306 -2.301
16 2HG2 THR 23 3HG2 THR 23 -6.856 -6.520 -2.683
17 3HG2 THR 23 1HG2 THR 23 -6.533 -5.310 -1.440
18 H CYS 24 H CYS 24 -7.636 -2.834 -0.846
19 HA CYS 24 HA CYS 24 -5.806 -1.068 0.340
20 1HB CYS 24 1HB CYS 24 -8.235 -1.642 0.949
21 2HB CYS 24 2HB CYS 24 -7.580 -3.028 1.834
22 H TYR 25 H TYR 25 -4.248 -1.224 1.896
23 HA TYR 25 HA TYR 25 -2.675 -3.641 2.258
24 1HB TYR 25 1HB TYR 25 -1.220 -2.352 3.461
25 2HB TYR 25 2HB TYR 25 -1.866 -1.180 2.333
26 HD1 TYR 25 HD1 TYR 25 -0.858 -1.610 5.611
27 HD2 TYR 25 HD2 TYR 25 -4.196 0.023 3.413
28 HE1 TYR 25 HE1 TYR 25 -1.456 -0.191 7.563
29 HE2 TYR 25 HE2 TYR 25 -4.822 1.382 5.386
30 HH TYR 25 HH TYR 25 -2.963 1.313 8.434
31 H ASN 26 H ASN 26 -5.531 -2.461 3.804
32 HA ASN 26 HA ASN 26 -5.137 -4.288 6.158
33 1HB ASN 26 1HB ASN 26 -4.410 -2.018 6.721
34 2HB ASN 26 2HB ASN 26 -5.929 -1.341 6.131
35 1HD2 ASN 26 1HD2 ASN 26 -7.653 -1.210 7.580
36 2HD2 ASN 26 2HD2 ASN 26 -7.596 -1.918 9.187
37 H CYS 27 H CYS 27 -7.588 -2.356 4.331
38 HA CYS 27 HA CYS 27 -9.816 -3.374 5.771
39 1HB CYS 27 1HB CYS 27 -9.665 -2.084 3.013
40 2HB CYS 27 2HB CYS 27 -11.126 -2.279 3.985
41 H GLY 28 H GLY 28 -7.992 -4.921 3.278
42 1HA GLY 28 2HA GLY 28 -9.638 -7.262 3.090
43 2HA GLY 28 1HA GLY 28 -8.314 -6.820 2.003
44 H LYS 29 H LYS 29 -9.391 -4.366 1.044
45 HA LYS 29 HA LYS 29 -11.889 -5.125 -0.413
46 1HB LYS 29 1HB LYS 29 -11.113 -2.656 1.159
47 2HB LYS 29 2HB LYS 29 -12.236 -2.485 -0.166
48 1HG LYS 29 1HG LYS 29 -12.676 -4.412 2.148
49 2HG LYS 29 2HG LYS 29 -13.253 -2.750 2.134
50 1HD LYS 29 1HD LYS 29 -14.088 -4.921 0.160
51 2HD LYS 29 2HD LYS 29 -15.024 -4.332 1.536
52 1HE LYS 29 1HE LYS 29 -15.020 -2.031 0.529
53 2HE LYS 29 2HE LYS 29 -14.190 -2.675 -0.892
54 1HZ LYS 29 2HZ LYS 29 -16.119 -4.145 -1.254
55 2HZ LYS 29 3HZ LYS 29 -16.882 -3.513 0.046
56 3HZ LYS 29 1HZ LYS 29 -16.578 -2.580 -1.254
57 HA PRO 30 HA PRO 30 -9.778 -3.260 -4.032
58 1HB PRO 30 2HB PRO 30 -11.818 -3.357 -5.809
59 2HB PRO 30 1HB PRO 30 -11.009 -4.843 -5.244
60 1HG PRO 30 1HG PRO 30 -13.589 -3.628 -4.200
61 2HG PRO 30 2HG PRO 30 -13.300 -5.319 -4.729
62 1HD PRO 30 1HD PRO 30 -13.158 -4.525 -2.109
63 2HD PRO 30 2HD PRO 30 -12.125 -5.828 -2.765
64 H GLY 31 H GLY 31 -10.916 -1.405 -5.658
65 1HA GLY 31 2HA GLY 31 -12.666 0.524 -4.482
66 2HA GLY 31 1HA GLY 31 -11.562 0.805 -5.836
67 H HIS 32 H HIS 32 -9.173 0.107 -4.255
68 HA HIS 32 HA HIS 32 -9.051 2.312 -2.251
69 1HB HIS 32 1HB HIS 32 -8.159 -0.537 -2.252
70 2HB HIS 32 2HB HIS 32 -7.058 0.623 -1.520
71 HD1 HIS 32 HD1 HIS 32 -10.757 -0.490 -1.089
72 HD2 HIS 32 HD2 HIS 32 -7.595 1.493 0.845
73 HE1 HIS 32 HE1 HIS 32 -11.514 -0.098 1.331
74 H LEU 33 H LEU 33 -7.285 3.484 -1.981
75 HA LEU 33 HA LEU 33 -5.061 3.684 -3.877
76 1HB LEU 33 1HB LEU 33 -7.356 5.703 -3.657
77 2HB LEU 33 2HB LEU 33 -5.805 6.097 -4.383
78 HG LEU 33 HG LEU 33 -7.761 4.044 -5.485
79 1HD1 LEU 33 3HD1 LEU 33 -8.566 6.354 -5.665
80 2HD1 LEU 33 1HD1 LEU 33 -7.034 6.843 -6.422
81 3HD1 LEU 33 2HD1 LEU 33 -8.120 5.703 -7.252
82 1HD2 LEU 33 2HD2 LEU 33 -5.155 5.161 -6.623
83 2HD2 LEU 33 3HD2 LEU 33 -5.421 3.486 -6.087
84 3HD2 LEU 33 1HD2 LEU 33 -6.298 4.110 -7.488
85 H SER 34 H SER 34 -3.827 5.773 -3.251
86 HA SER 34 HA SER 34 -3.270 6.094 -0.467
87 1HB SER 34 1HB SER 34 -2.102 8.159 -1.257
88 2HB SER 34 2HB SER 34 -1.672 6.694 -2.164
89 HG SER 34 HG SER 34 -2.104 8.496 -3.544
90 H SER 35 H SER 35 -5.870 7.400 -2.389
91 HA SER 35 HA SER 35 -6.607 9.479 -0.429
92 1HB SER 35 1HB SER 35 -8.409 9.947 -2.069
93 2HB SER 35 2HB SER 35 -6.788 10.013 -2.777
94 HG SER 35 HG SER 35 -8.291 8.830 -4.075
95 H GLN 36 H GLN 36 -7.050 6.173 -0.523
96 HA GLN 36 HA GLN 36 -9.752 6.272 0.776
97 1HB GLN 36 1HB GLN 36 -9.369 4.978 -1.446
98 2HB GLN 36 2HB GLN 36 -8.423 3.855 -0.470
99 1HG GLN 36 1HG GLN 36 -10.550 2.877 -0.579
100 2HG GLN 36 2HG GLN 36 -10.539 3.616 1.015
101 1HE2 GLN 36 2HE2 GLN 36 -11.969 3.639 -2.211
102 2HE2 GLN 36 1HE2 GLN 36 -13.196 4.852 -1.843
103 H CYS 37 H CYS 37 -6.475 4.892 0.967
104 HA CYS 37 HA CYS 37 -6.598 4.816 3.910
105 1HB CYS 37 1HB CYS 37 -6.175 2.426 2.100
106 2HB CYS 37 2HB CYS 37 -5.225 2.531 3.561
107 H ARG 38 H ARG 38 -4.348 4.351 4.765
108 HA ARG 38 HA ARG 38 -2.458 6.270 3.923
109 1HB ARG 38 1HB ARG 38 -2.108 3.736 5.586
110 2HB ARG 38 2HB ARG 38 -0.862 4.960 5.382
111 1HG ARG 38 1HG ARG 38 -1.688 6.157 7.045
112 2HG ARG 38 2HG ARG 38 -3.183 6.422 6.166
113 1HD ARG 38 1HD ARG 38 -2.608 4.024 7.960
114 2HD ARG 38 2HD ARG 38 -3.447 5.470 8.490
115 HE ARG 38 HE ARG 38 -4.544 3.260 7.001
116 1HH1 ARG 38 2HH2 ARG 38 -5.075 6.633 7.782
117 2HH1 ARG 38 1HH2 ARG 38 -6.761 6.567 7.354
118 1HH2 ARG 38 2HH1 ARG 38 -6.697 3.332 6.221
119 2HH2 ARG 38 1HH1 ARG 38 -7.637 4.745 6.546
120 H ALA 39 H ALA 39 -2.713 2.915 2.848
121 HA ALA 39 HA ALA 39 -1.361 3.646 0.409
122 1HB ALA 39 2HB ALA 39 0.628 3.079 1.807
123 2HB ALA 39 3HB ALA 39 -0.108 1.503 2.194
124 3HB ALA 39 1HB ALA 39 0.394 1.867 0.537
125 HA PRO 40 HA PRO 40 -3.667 -0.159 -0.858
126 1HB PRO 40 2HB PRO 40 -2.507 -0.695 -3.253
127 2HB PRO 40 1HB PRO 40 -3.624 0.685 -3.034
128 1HG PRO 40 1HG PRO 40 -0.589 0.723 -2.999
129 2HG PRO 40 2HG PRO 40 -1.697 1.800 -3.908
130 1HD PRO 40 1HD PRO 40 -0.596 2.477 -1.482
131 2HD PRO 40 2HD PRO 40 -2.218 3.039 -1.983
132 H LYS 41 H LYS 41 -2.986 -2.423 -1.356
133 HA LYS 41 HA LYS 41 -1.351 -3.499 0.602
134 1HB LYS 41 1HB LYS 41 -3.238 -4.527 -0.807
135 2HB LYS 41 2HB LYS 41 -2.015 -4.902 -2.016
136 1HG LYS 41 1HG LYS 41 -0.826 -6.334 -0.403
137 2HG LYS 41 2HG LYS 41 -1.929 -5.823 0.894
138 1HD LYS 41 1HD LYS 41 -3.831 -6.879 -0.297
139 2HD LYS 41 2HD LYS 41 -2.766 -7.298 -1.642
140 1HE LYS 41 1HE LYS 41 -3.064 -9.276 -0.344
141 2HE LYS 41 2HE LYS 41 -1.402 -8.728 -0.117
142 1HZ LYS 41 1HZ LYS 41 -3.629 -8.263 1.804
143 2HZ LYS 41 2HZ LYS 41 -2.458 -9.380 1.983
144 3HZ LYS 41 3HZ LYS 41 -2.076 -7.797 2.037
145 H VAL 42 H VAL 42 -0.152 -2.304 -2.362
146 HA VAL 42 HA VAL 42 2.347 -3.599 -2.693
147 HB VAL 42 HB VAL 42 1.666 -0.646 -3.021
148 1HG1 VAL 42 1HG1 VAL 42 3.854 -2.334 -4.300
149 2HG1 VAL 42 2HG1 VAL 42 3.438 -0.671 -4.769
150 3HG1 VAL 42 3HG1 VAL 42 4.088 -0.985 -3.163
151 1HG2 VAL 42 2HG2 VAL 42 1.447 -2.947 -5.011
152 2HG2 VAL 42 3HG2 VAL 42 0.094 -2.008 -4.338
153 3HG2 VAL 42 1HG2 VAL 42 1.252 -1.227 -5.407
154 H CYS 43 H CYS 43 1.311 -1.278 -0.241
155 HA CYS 43 HA CYS 43 3.831 -1.547 1.275
156 1HB CYS 43 1HB CYS 43 4.006 0.321 -0.439
157 2HB CYS 43 2HB CYS 43 2.696 1.148 0.413
158 H PHE 44 H PHE 44 3.271 0.481 3.025
159 HA PHE 44 HA PHE 44 0.517 0.249 4.113
160 1HB PHE 44 1HB PHE 44 1.248 -0.185 6.335
161 2HB PHE 44 2HB PHE 44 1.977 -1.405 5.311
162 HD1 PHE 44 HD1 PHE 44 2.574 1.273 7.687
163 HD2 PHE 44 HD2 PHE 44 4.467 -1.144 4.654
164 HE1 PHE 44 HE1 PHE 44 4.805 1.903 8.574
165 HE2 PHE 44 HE2 PHE 44 6.694 -0.498 5.536
166 HZ PHE 44 HZ PHE 44 6.869 1.023 7.494
167 H LYS 45 H LYS 45 3.256 2.175 3.353
168 HA LYS 45 HA LYS 45 2.096 4.648 4.502
169 1HB LYS 45 1HB LYS 45 3.313 3.656 6.387
170 2HB LYS 45 2HB LYS 45 4.748 3.431 5.390
171 1HG LYS 45 1HG LYS 45 4.936 5.945 5.187
172 2HG LYS 45 2HG LYS 45 3.512 6.095 6.224
173 1HD LYS 45 1HD LYS 45 5.504 6.441 7.544
174 2HD LYS 45 2HD LYS 45 4.755 4.919 8.050
175 1HE LYS 45 1HE LYS 45 6.391 3.646 6.690
176 2HE LYS 45 2HE LYS 45 7.089 5.154 6.088
177 1HZ LYS 45 1HZ LYS 45 7.103 4.295 8.936
178 2HZ LYS 45 2HZ LYS 45 8.386 4.244 7.929
179 3HZ LYS 45 3HZ LYS 45 7.757 5.680 8.370
180 H CYS 46 H CYS 46 5.276 3.515 3.268
181 HA CYS 46 HA CYS 46 5.888 6.008 2.108
182 1HB CYS 46 1HB CYS 46 7.715 4.150 1.074
183 2HB CYS 46 2HB CYS 46 7.878 5.156 2.499
184 H LYS 47 H LYS 47 4.698 3.054 0.609
185 HA LYS 47 HA LYS 47 4.032 2.503 -1.512
186 1HB LYS 47 1HB LYS 47 2.031 3.757 -2.107
187 2HB LYS 47 2HB LYS 47 2.154 3.441 -0.382
188 1HG LYS 47 1HG LYS 47 2.921 5.750 0.019
189 2HG LYS 47 2HG LYS 47 2.831 6.107 -1.707
190 1HD LYS 47 1HD LYS 47 0.457 5.894 -1.717
191 2HD LYS 47 2HD LYS 47 0.417 5.138 -0.116
192 1HE LYS 47 1HE LYS 47 1.465 7.963 -0.574
193 2HE LYS 47 2HE LYS 47 -0.237 7.625 -0.239
194 1HZ LYS 47 3HZ LYS 47 1.981 6.848 1.590
195 2HZ LYS 47 1HZ LYS 47 0.986 8.135 1.803
196 3HZ LYS 47 2HZ LYS 47 0.393 6.606 1.850
197 H GLN 48 H GLN 48 6.565 4.086 -1.833
198 HA GLN 48 HA GLN 48 6.306 5.547 -4.294
199 1HB GLN 48 1HB GLN 48 8.759 4.210 -3.086
200 2HB GLN 48 2HB GLN 48 8.784 5.382 -4.396
201 1HG GLN 48 1HG GLN 48 7.956 5.880 -1.511
202 2HG GLN 48 2HG GLN 48 9.388 6.474 -2.326
203 1HE2 GLN 48 2HE2 GLN 48 6.123 7.209 -1.556
204 2HE2 GLN 48 1HE2 GLN 48 5.988 8.634 -2.595
205 HA PRO 49 HA PRO 49 5.657 2.749 -7.438
206 1HB PRO 49 2HB PRO 49 8.134 3.733 -8.871
207 2HB PRO 49 1HB PRO 49 6.489 3.461 -9.530
208 1HG PRO 49 1HG PRO 49 7.256 5.954 -8.849
209 2HG PRO 49 2HG PRO 49 5.630 5.367 -8.369
210 1HD PRO 49 1HD PRO 49 8.131 5.569 -6.692
211 2HD PRO 49 2HD PRO 49 6.439 5.973 -6.282
212 H GLY 50 H GLY 50 8.964 2.307 -6.266
213 1HA GLY 50 2HA GLY 50 10.137 0.312 -7.550
214 2HA GLY 50 1HA GLY 50 8.771 -0.604 -6.915
215 H HIS 51 H HIS 51 9.463 1.598 -4.515
216 HA HIS 51 HA HIS 51 11.870 0.668 -3.361
217 1HB HIS 51 1HB HIS 51 11.287 1.951 -1.496
218 2HB HIS 51 2HB HIS 51 10.526 2.790 -2.833
219 HD1 HIS 51 HD1 HIS 51 7.651 1.783 -3.037
220 HD2 HIS 51 HD2 HIS 51 9.838 1.553 0.563
221 HE1 HIS 51 HE1 HIS 51 5.981 1.248 -1.209
222 H PHE 52 H PHE 52 8.642 -0.695 -3.142
223 HA PHE 52 HA PHE 52 8.778 -1.945 -0.656
224 1HB PHE 52 1HB PHE 52 6.871 -3.305 -1.458
225 2HB PHE 52 2HB PHE 52 6.694 -1.584 -1.731
226 HD1 PHE 52 HD1 PHE 52 6.706 -0.625 -4.014
227 HD2 PHE 52 HD2 PHE 52 7.086 -4.876 -3.357
228 HE1 PHE 52 HE1 PHE 52 6.224 -1.046 -6.406
229 HE2 PHE 52 HE2 PHE 52 6.607 -5.284 -5.755
230 HZ PHE 52 HZ PHE 52 6.180 -3.369 -7.286
231 H SER 53 H SER 53 9.722 -3.357 -3.819
232 HA SER 53 HA SER 53 10.374 -5.952 -2.983
233 1HB SER 53 1HB SER 53 11.767 -4.263 -5.097
234 2HB SER 53 2HB SER 53 11.797 -6.035 -4.980
235 HG SER 53 HG SER 53 10.217 -5.290 -6.474
236 H LYS 54 H LYS 54 11.964 -3.123 -1.952
237 HA LYS 54 HA LYS 54 14.372 -4.630 -1.005
238 1HB LYS 54 1HB LYS 54 14.240 -1.726 -1.925
239 2HB LYS 54 2HB LYS 54 15.680 -2.574 -1.376
240 1HG LYS 54 1HG LYS 54 14.125 -3.209 -3.921
241 2HG LYS 54 2HG LYS 54 15.612 -2.275 -3.819
242 1HD LYS 54 1HD LYS 54 16.860 -4.217 -3.004
243 2HD LYS 54 2HD LYS 54 15.383 -5.199 -2.980
244 1HE LYS 54 1HE LYS 54 15.107 -4.830 -5.430
245 2HE LYS 54 2HE LYS 54 16.615 -3.907 -5.451
246 1HZ LYS 54 3HZ LYS 54 16.382 -6.770 -4.678
247 2HZ LYS 54 1HZ LYS 54 16.976 -6.223 -6.096
248 3HZ LYS 54 2HZ LYS 54 17.778 -5.919 -4.708
249 H GLN 55 H GLN 55 11.606 -3.464 0.187
250 HA GLN 55 HA GLN 55 12.810 -2.947 2.821
251 1HB GLN 55 1HB GLN 55 12.764 -0.703 1.667
252 2HB GLN 55 2HB GLN 55 11.009 -0.832 1.560
253 1HG GLN 55 1HG GLN 55 10.971 -1.046 4.107
254 2HG GLN 55 2HG GLN 55 12.709 -0.736 4.096
255 1HE2 GLN 55 1HE2 GLN 55 9.505 0.639 3.499
256 2HE2 GLN 55 2HE2 GLN 55 10.023 2.317 3.500
257 H CYS 56 H CYS 56 9.618 -2.553 1.192
258 HA CYS 56 HA CYS 56 8.259 -3.488 3.608
259 1HB CYS 56 1HB CYS 56 7.184 -2.278 1.027
260 2HB CYS 56 2HB CYS 56 6.289 -2.516 2.531
261 H ARG 57 H ARG 57 9.272 -5.026 0.818
262 HA ARG 57 HA ARG 57 7.558 -7.392 1.234
263 1HB ARG 57 1HB ARG 57 6.690 -5.546 -0.543
264 2HB ARG 57 2HB ARG 57 7.877 -6.299 -1.581
265 1HG ARG 57 1HG ARG 57 5.585 -7.170 -1.898
266 2HG ARG 57 2HG ARG 57 6.695 -8.450 -1.428
267 1HD ARG 57 1HD ARG 57 4.440 -8.552 -0.307
268 2HD ARG 57 2HD ARG 57 5.801 -8.554 0.794
269 HE ARG 57 HE ARG 57 5.306 -6.355 1.514
270 1HH1 ARG 57 2HH1 ARG 57 2.964 -7.256 -0.965
271 2HH1 ARG 57 1HH1 ARG 57 1.944 -5.885 -0.543
272 1HH2 ARG 57 1HH2 ARG 57 3.907 -4.707 1.943
273 2HH2 ARG 57 2HH2 ARG 57 2.441 -4.544 0.983
274 H SER 58 H SER 58 10.482 -6.615 1.442
275 HA SER 58 HA SER 58 12.194 -7.735 -0.422
276 1HB SER 58 1HB SER 58 12.484 -7.862 2.598
277 2HB SER 58 2HB SER 58 13.789 -7.983 1.402
278 HG SER 58 HG SER 58 13.548 -5.837 2.250
No H/Q in entry = 278
Start of MODEL 26
1 H1 GLN 22 H3 GLN 22 -8.378 -0.643 -6.186
2 H2 GLN 22 H2 GLN 22 -7.361 0.573 -5.789
3 H3 GLN 22 H1 GLN 22 -7.388 -0.001 -7.333
4 HA GLN 22 HA GLN 22 -6.575 -2.150 -6.595
5 1HB GLN 22 1HB GLN 22 -4.966 -0.373 -7.337
6 2HB GLN 22 2HB GLN 22 -4.778 0.127 -5.651
7 1HG GLN 22 1HG GLN 22 -3.882 -2.139 -5.090
8 2HG GLN 22 2HG GLN 22 -4.167 -2.654 -6.755
9 1HE2 GLN 22 1HE2 GLN 22 -1.971 -3.079 -7.304
10 2HE2 GLN 22 2HE2 GLN 22 -0.772 -1.793 -7.340
11 H THR 23 H THR 23 -6.546 -3.615 -4.950
12 HA THR 23 HA THR 23 -7.923 -3.265 -2.633
13 HB THR 23 HB THR 23 -5.638 -5.238 -2.936
14 HG1 THR 23 HG1 THR 23 -7.152 -6.487 -4.038
15 1HG2 THR 23 3HG2 THR 23 -8.362 -5.460 -1.571
16 2HG2 THR 23 1HG2 THR 23 -7.172 -6.766 -1.726
17 3HG2 THR 23 2HG2 THR 23 -6.791 -5.357 -0.735
18 H CYS 24 H CYS 24 -7.655 -2.735 -0.565
19 HA CYS 24 HA CYS 24 -5.682 -0.999 0.357
20 1HB CYS 24 1HB CYS 24 -8.051 -1.482 1.193
21 2HB CYS 24 2HB CYS 24 -7.380 -2.879 2.034
22 H TYR 25 H TYR 25 -4.020 -1.163 1.901
23 HA TYR 25 HA TYR 25 -2.471 -3.612 2.143
24 1HB TYR 25 1HB TYR 25 -0.961 -2.400 3.338
25 2HB TYR 25 2HB TYR 25 -1.623 -1.167 2.286
26 HD1 TYR 25 HD1 TYR 25 -0.486 -1.743 5.494
27 HD2 TYR 25 HD2 TYR 25 -3.896 0.010 3.511
28 HE1 TYR 25 HE1 TYR 25 -0.958 -0.366 7.510
29 HE2 TYR 25 HE2 TYR 25 -4.394 1.321 5.547
30 HH TYR 25 HH TYR 25 -2.362 1.167 8.483
31 H ASN 26 H ASN 26 -5.269 -2.489 3.755
32 HA ASN 26 HA ASN 26 -4.860 -4.330 6.098
33 1HB ASN 26 1HB ASN 26 -4.340 -2.045 6.731
34 2HB ASN 26 2HB ASN 26 -5.799 -1.429 5.962
35 1HD2 ASN 26 2HD2 ASN 26 -7.829 -1.610 7.060
36 2HD2 ASN 26 1HD2 ASN 26 -7.878 -2.135 8.737
37 H CYS 27 H CYS 27 -7.339 -2.481 4.262
38 HA CYS 27 HA CYS 27 -9.498 -3.720 5.659
39 1HB CYS 27 1HB CYS 27 -9.510 -1.945 3.187
40 2HB CYS 27 2HB CYS 27 -10.861 -2.234 4.288
41 H GLY 28 H GLY 28 -7.790 -4.952 2.998
42 1HA GLY 28 2HA GLY 28 -9.411 -7.209 2.576
43 2HA GLY 28 1HA GLY 28 -8.160 -6.629 1.471
44 H LYS 29 H LYS 29 -9.501 -4.112 0.871
45 HA LYS 29 HA LYS 29 -11.994 -4.950 -0.555
46 1HB LYS 29 1HB LYS 29 -12.309 -3.644 1.528
47 2HB LYS 29 2HB LYS 29 -11.337 -2.356 0.867
48 1HG LYS 29 1HG LYS 29 -13.635 -1.733 0.643
49 2HG LYS 29 2HG LYS 29 -13.009 -2.034 -0.971
50 1HD LYS 29 1HD LYS 29 -15.264 -2.924 -0.738
51 2HD LYS 29 2HD LYS 29 -14.136 -4.255 -0.999
52 1HE LYS 29 1HE LYS 29 -14.132 -4.742 1.439
53 2HE LYS 29 2HE LYS 29 -15.203 -3.364 1.722
54 1HZ LYS 29 3HZ LYS 29 -15.907 -5.764 0.113
55 2HZ LYS 29 1HZ LYS 29 -16.443 -5.447 1.620
56 3HZ LYS 29 2HZ LYS 29 -16.898 -4.490 0.381
57 HA PRO 30 HA PRO 30 -9.452 -3.861 -4.139
58 1HB PRO 30 2HB PRO 30 -12.188 -3.925 -5.420
59 2HB PRO 30 1HB PRO 30 -10.632 -4.555 -6.050
60 1HG PRO 30 1HG PRO 30 -12.384 -6.243 -4.885
61 2HG PRO 30 2HG PRO 30 -10.641 -6.353 -4.469
62 1HD PRO 30 1HD PRO 30 -12.875 -5.060 -2.903
63 2HD PRO 30 2HD PRO 30 -11.514 -6.073 -2.328
64 H GLY 31 H GLY 31 -12.358 -1.953 -3.386
65 1HA GLY 31 2HA GLY 31 -13.019 0.191 -3.884
66 2HA GLY 31 1HA GLY 31 -11.859 0.204 -5.211
67 H HIS 32 H HIS 32 -9.561 -0.287 -3.319
68 HA HIS 32 HA HIS 32 -9.457 2.266 -1.815
69 1HB HIS 32 1HB HIS 32 -8.031 -0.355 -1.609
70 2HB HIS 32 2HB HIS 32 -7.171 1.092 -1.100
71 HD1 HIS 32 HD1 HIS 32 -10.575 -0.600 -0.353
72 HD2 HIS 32 HD2 HIS 32 -7.634 1.884 1.310
73 HE1 HIS 32 HE1 HIS 32 -11.288 -0.167 2.077
74 H LEU 33 H LEU 33 -7.440 3.386 -1.745
75 HA LEU 33 HA LEU 33 -5.957 3.830 -4.240
76 1HB LEU 33 1HB LEU 33 -7.966 5.807 -3.030
77 2HB LEU 33 2HB LEU 33 -6.755 6.265 -4.212
78 HG LEU 33 HG LEU 33 -9.029 4.316 -4.752
79 1HD1 LEU 33 2HD1 LEU 33 -9.805 6.616 -4.388
80 2HD1 LEU 33 3HD1 LEU 33 -8.628 7.217 -5.577
81 3HD1 LEU 33 1HD1 LEU 33 -9.958 6.151 -6.089
82 1HD2 LEU 33 2HD2 LEU 33 -6.979 5.605 -6.619
83 2HD2 LEU 33 3HD2 LEU 33 -7.067 3.879 -6.206
84 3HD2 LEU 33 1HD2 LEU 33 -8.374 4.628 -7.125
85 H SER 34 H SER 34 -4.484 5.734 -3.876
86 HA SER 34 HA SER 34 -2.905 5.689 -1.541
87 1HB SER 34 1HB SER 34 -2.315 6.530 -3.832
88 2HB SER 34 2HB SER 34 -3.280 7.981 -3.505
89 HG SER 34 HG SER 34 -1.071 8.302 -3.063
90 H SER 35 H SER 35 -5.970 7.234 -1.920
91 HA SER 35 HA SER 35 -5.635 8.855 0.565
92 1HB SER 35 1HB SER 35 -7.451 10.252 -0.384
93 2HB SER 35 2HB SER 35 -6.006 10.206 -1.412
94 HG SER 35 HG SER 35 -7.961 9.895 -2.609
95 H GLN 36 H GLN 36 -7.250 6.054 -0.603
96 HA GLN 36 HA GLN 36 -9.667 6.317 1.043
97 1HB GLN 36 1HB GLN 36 -9.363 4.917 -1.124
98 2HB GLN 36 2HB GLN 36 -8.495 3.770 -0.109
99 1HG GLN 36 1HG GLN 36 -10.677 2.908 -0.122
100 2HG GLN 36 2HG GLN 36 -10.666 3.801 1.385
101 1HE2 GLN 36 2HE2 GLN 36 -12.013 3.593 -1.889
102 2HE2 GLN 36 1HE2 GLN 36 -13.150 4.918 -1.669
103 H CYS 37 H CYS 37 -6.505 4.795 1.270
104 HA CYS 37 HA CYS 37 -6.522 4.926 4.189
105 1HB CYS 37 1HB CYS 37 -6.046 2.370 2.608
106 2HB CYS 37 2HB CYS 37 -5.172 2.656 4.091
107 H ARG 38 H ARG 38 -4.082 4.362 4.855
108 HA ARG 38 HA ARG 38 -2.371 6.355 3.819
109 1HB ARG 38 1HB ARG 38 -1.671 3.783 5.309
110 2HB ARG 38 2HB ARG 38 -0.533 5.064 4.925
111 1HG ARG 38 1HG ARG 38 -0.973 5.680 7.014
112 2HG ARG 38 2HG ARG 38 -2.216 6.638 6.229
113 1HD ARG 38 1HD ARG 38 -2.756 3.853 7.340
114 2HD ARG 38 2HD ARG 38 -2.732 5.262 8.393
115 HE ARG 38 HE ARG 38 -4.519 6.245 6.873
116 1HH1 ARG 38 1HH2 ARG 38 -4.389 2.772 7.519
117 2HH1 ARG 38 2HH2 ARG 38 -6.104 2.612 7.238
118 1HH2 ARG 38 1HH1 ARG 38 -6.701 5.916 6.642
119 2HH2 ARG 38 2HH1 ARG 38 -7.331 4.296 6.684
120 H ALA 39 H ALA 39 -2.575 2.945 2.805
121 HA ALA 39 HA ALA 39 -1.475 3.651 0.205
122 1HB ALA 39 1HB ALA 39 -0.033 1.639 1.998
123 2HB ALA 39 2HB ALA 39 0.369 1.973 0.307
124 3HB ALA 39 3HB ALA 39 0.601 3.235 1.531
125 HA PRO 40 HA PRO 40 -3.759 -0.231 -0.809
126 1HB PRO 40 2HB PRO 40 -2.748 -0.807 -3.262
127 2HB PRO 40 1HB PRO 40 -3.845 0.578 -2.995
128 1HG PRO 40 1HG PRO 40 -0.813 0.606 -3.137
129 2HG PRO 40 2HG PRO 40 -1.969 1.667 -4.002
130 1HD PRO 40 1HD PRO 40 -0.735 2.398 -1.667
131 2HD PRO 40 2HD PRO 40 -2.391 2.935 -2.076
132 H LYS 41 H LYS 41 -3.060 -2.497 -1.508
133 HA LYS 41 HA LYS 41 -1.356 -3.693 0.321
134 1HB LYS 41 1HB LYS 41 -3.266 -4.667 -1.030
135 2HB LYS 41 2HB LYS 41 -2.175 -4.797 -2.399
136 1HG LYS 41 1HG LYS 41 -2.506 -6.929 -1.272
137 2HG LYS 41 2HG LYS 41 -0.813 -6.449 -1.185
138 1HD LYS 41 1HD LYS 41 -1.060 -5.803 1.171
139 2HD LYS 41 2HD LYS 41 -2.817 -5.970 1.065
140 1HE LYS 41 1HE LYS 41 -1.971 -7.883 2.228
141 2HE LYS 41 2HE LYS 41 -2.581 -8.402 0.655
142 1HZ LYS 41 2HZ LYS 41 0.288 -7.967 1.317
143 2HZ LYS 41 3HZ LYS 41 -0.437 -9.419 1.167
144 3HZ LYS 41 1HZ LYS 41 -0.272 -8.464 -0.142
145 H VAL 42 H VAL 42 -0.239 -2.128 -2.461
146 HA VAL 42 HA VAL 42 2.281 -3.369 -2.977
147 HB VAL 42 HB VAL 42 1.476 -0.429 -3.070
148 1HG1 VAL 42 3HG1 VAL 42 3.760 -1.890 -4.453
149 2HG1 VAL 42 1HG1 VAL 42 3.255 -0.220 -4.796
150 3HG1 VAL 42 2HG1 VAL 42 3.909 -0.625 -3.212
151 1HG2 VAL 42 3HG2 VAL 42 1.404 -2.569 -5.243
152 2HG2 VAL 42 1HG2 VAL 42 -0.008 -1.786 -4.500
153 3HG2 VAL 42 2HG2 VAL 42 1.095 -0.836 -5.490
154 H CYS 43 H CYS 43 1.253 -1.171 -0.362
155 HA CYS 43 HA CYS 43 3.875 -1.407 1.010
156 1HB CYS 43 1HB CYS 43 3.920 0.453 -0.708
157 2HB CYS 43 2HB CYS 43 2.641 1.264 0.202
158 H PHE 44 H PHE 44 3.272 0.773 2.709
159 HA PHE 44 HA PHE 44 0.646 0.329 3.989
160 1HB PHE 44 1HB PHE 44 1.449 -0.065 6.151
161 2HB PHE 44 2HB PHE 44 2.378 -1.157 5.143
162 HD1 PHE 44 HD1 PHE 44 2.479 1.565 7.531
163 HD2 PHE 44 HD2 PHE 44 4.809 -0.458 4.513
164 HE1 PHE 44 HE1 PHE 44 4.551 2.579 8.447
165 HE2 PHE 44 HE2 PHE 44 6.874 0.568 5.431
166 HZ PHE 44 HZ PHE 44 6.751 2.089 7.393
167 H LYS 45 H LYS 45 3.353 2.412 3.250
168 HA LYS 45 HA LYS 45 1.836 4.820 3.984
169 1HB LYS 45 1HB LYS 45 2.853 4.163 6.140
170 2HB LYS 45 2HB LYS 45 4.439 4.063 5.390
171 1HG LYS 45 1HG LYS 45 4.260 6.076 6.698
172 2HG LYS 45 2HG LYS 45 4.429 6.507 4.999
173 1HD LYS 45 1HD LYS 45 1.996 6.978 4.859
174 2HD LYS 45 2HD LYS 45 1.793 6.450 6.547
175 1HE LYS 45 1HE LYS 45 3.371 8.240 7.274
176 2HE LYS 45 2HE LYS 45 3.544 8.767 5.596
177 1HZ LYS 45 1HZ LYS 45 1.160 9.298 5.591
178 2HZ LYS 45 2HZ LYS 45 1.006 8.811 7.147
179 3HZ LYS 45 3HZ LYS 45 1.913 10.114 6.783
180 H CYS 46 H CYS 46 5.198 3.784 3.178
181 HA CYS 46 HA CYS 46 5.900 6.224 1.996
182 1HB CYS 46 1HB CYS 46 7.725 4.336 1.020
183 2HB CYS 46 2HB CYS 46 7.858 5.334 2.456
184 H LYS 47 H LYS 47 4.711 3.297 0.441
185 HA LYS 47 HA LYS 47 4.187 2.750 -1.720
186 1HB LYS 47 1HB LYS 47 2.201 3.958 -2.397
187 2HB LYS 47 2HB LYS 47 2.265 3.665 -0.667
188 1HG LYS 47 1HG LYS 47 3.089 6.062 -0.376
189 2HG LYS 47 2HG LYS 47 2.739 6.323 -2.088
190 1HD LYS 47 1HD LYS 47 0.378 5.918 -1.712
191 2HD LYS 47 2HD LYS 47 0.693 5.283 -0.082
192 1HE LYS 47 1HE LYS 47 1.597 7.491 0.611
193 2HE LYS 47 2HE LYS 47 1.187 8.153 -0.981
194 1HZ LYS 47 3HZ LYS 47 -0.775 6.978 0.914
195 2HZ LYS 47 1HZ LYS 47 -0.547 8.590 0.700
196 3HZ LYS 47 2HZ LYS 47 -1.134 7.686 -0.530
197 H GLN 48 H GLN 48 6.733 4.208 -1.898
198 HA GLN 48 HA GLN 48 6.697 5.755 -4.316
199 1HB GLN 48 1HB GLN 48 8.998 4.249 -3.004
200 2HB GLN 48 2HB GLN 48 9.168 5.445 -4.280
201 1HG GLN 48 1HG GLN 48 8.173 5.940 -1.448
202 2HG GLN 48 2HG GLN 48 9.704 6.441 -2.137
203 1HE2 GLN 48 2HE2 GLN 48 6.440 7.395 -1.615
204 2HE2 GLN 48 1HE2 GLN 48 6.494 8.844 -2.623
205 HA PRO 49 HA PRO 49 6.065 3.120 -7.587
206 1HB PRO 49 2HB PRO 49 8.680 3.982 -8.843
207 2HB PRO 49 1HB PRO 49 7.062 3.843 -9.602
208 1HG PRO 49 1HG PRO 49 7.954 6.253 -8.784
209 2HG PRO 49 2HG PRO 49 6.266 5.764 -8.423
210 1HD PRO 49 1HD PRO 49 8.667 5.742 -6.597
211 2HD PRO 49 2HD PRO 49 6.983 6.239 -6.269
212 H GLY 50 H GLY 50 9.274 2.414 -6.268
213 1HA GLY 50 2HA GLY 50 10.303 0.360 -7.668
214 2HA GLY 50 1HA GLY 50 8.912 -0.454 -6.952
215 H HIS 51 H HIS 51 9.438 1.410 -4.469
216 HA HIS 51 HA HIS 51 11.959 0.467 -3.375
217 1HB HIS 51 1HB HIS 51 11.435 1.790 -1.520
218 2HB HIS 51 2HB HIS 51 10.741 2.669 -2.870
219 HD1 HIS 51 HD1 HIS 51 7.812 1.914 -3.099
220 HD2 HIS 51 HD2 HIS 51 9.938 1.479 0.521
221 HE1 HIS 51 HE1 HIS 51 6.086 1.509 -1.290
222 H PHE 52 H PHE 52 8.667 -0.699 -3.242
223 HA PHE 52 HA PHE 52 8.568 -1.757 -0.681
224 1HB PHE 52 1HB PHE 52 6.628 -3.134 -1.677
225 2HB PHE 52 2HB PHE 52 6.547 -1.387 -1.693
226 HD1 PHE 52 HD1 PHE 52 7.051 -4.394 -3.842
227 HD2 PHE 52 HD2 PHE 52 6.497 -0.114 -3.743
228 HE1 PHE 52 HE1 PHE 52 6.703 -4.374 -6.297
229 HE2 PHE 52 HE2 PHE 52 6.134 -0.105 -6.190
230 HZ PHE 52 HZ PHE 52 6.247 -2.229 -7.478
231 H SER 53 H SER 53 9.486 -3.574 -3.638
232 HA SER 53 HA SER 53 9.764 -6.117 -2.445
233 1HB SER 53 1HB SER 53 11.338 -4.975 -4.783
234 2HB SER 53 2HB SER 53 11.070 -6.692 -4.423
235 HG SER 53 HG SER 53 9.599 -5.922 -5.997
236 H LYS 54 H LYS 54 11.624 -3.457 -1.651
237 HA LYS 54 HA LYS 54 13.947 -5.081 -0.672
238 1HB LYS 54 1HB LYS 54 13.878 -2.318 -1.945
239 2HB LYS 54 2HB LYS 54 15.293 -2.958 -1.127
240 1HG LYS 54 1HG LYS 54 15.787 -4.522 -2.737
241 2HG LYS 54 2HG LYS 54 14.138 -4.663 -3.332
242 1HD LYS 54 1HD LYS 54 15.844 -2.181 -3.765
243 2HD LYS 54 2HD LYS 54 15.715 -3.529 -4.913
244 1HE LYS 54 1HE LYS 54 13.242 -3.231 -4.994
245 2HE LYS 54 2HE LYS 54 13.369 -1.856 -3.897
246 1HZ LYS 54 1HZ LYS 54 14.723 -0.729 -5.596
247 2HZ LYS 54 2HZ LYS 54 14.541 -1.994 -6.620
248 3HZ LYS 54 3HZ LYS 54 13.233 -1.119 -6.154
249 H GLN 55 H GLN 55 11.286 -3.626 0.470
250 HA GLN 55 HA GLN 55 12.535 -3.122 3.078
251 1HB GLN 55 1HB GLN 55 12.708 -0.915 1.922
252 2HB GLN 55 2HB GLN 55 10.959 -0.900 1.700
253 1HG GLN 55 1HG GLN 55 10.703 -0.994 4.220
254 2HG GLN 55 2HG GLN 55 12.461 -0.909 4.362
255 1HE2 GLN 55 1HE2 GLN 55 9.522 0.872 3.501
256 2HE2 GLN 55 2HE2 GLN 55 10.277 2.460 3.514
257 H CYS 56 H CYS 56 9.382 -2.366 1.513
258 HA CYS 56 HA CYS 56 7.992 -3.071 3.944
259 1HB CYS 56 1HB CYS 56 6.988 -2.048 1.251
260 2HB CYS 56 2HB CYS 56 6.083 -2.057 2.773
261 H ARG 57 H ARG 57 8.555 -4.752 0.982
262 HA ARG 57 HA ARG 57 6.563 -6.882 1.615
263 1HB ARG 57 1HB ARG 57 6.079 -4.859 -0.241
264 2HB ARG 57 2HB ARG 57 6.844 -6.059 -1.255
265 1HG ARG 57 1HG ARG 57 4.756 -6.913 -1.456
266 2HG ARG 57 2HG ARG 57 5.029 -7.639 0.123
267 1HD ARG 57 1HD ARG 57 3.581 -5.051 -0.546
268 2HD ARG 57 2HD ARG 57 2.881 -6.525 0.133
269 HE ARG 57 HE ARG 57 4.883 -5.553 1.933
270 1HH1 ARG 57 2HH1 ARG 57 1.747 -4.479 0.815
271 2HH1 ARG 57 1HH1 ARG 57 1.577 -3.370 2.153
272 1HH2 ARG 57 2HH2 ARG 57 4.545 -4.280 3.624
273 2HH2 ARG 57 1HH2 ARG 57 3.017 -3.436 3.836
274 H SER 58 H SER 58 9.621 -6.536 1.545
275 HA SER 58 HA SER 58 10.980 -7.993 -0.349
276 1HB SER 58 1HB SER 58 11.477 -8.098 2.644
277 2HB SER 58 2HB SER 58 12.656 -8.399 1.354
278 HG SER 58 HG SER 58 12.753 -6.233 2.197
No H/Q in entry = 278
Start of MODEL 27
1 H1 GLN 22 H1 GLN 22 -7.814 -0.923 -6.308
2 H2 GLN 22 H3 GLN 22 -6.894 0.357 -5.883
3 H3 GLN 22 H2 GLN 22 -6.733 -0.306 -7.382
4 HA GLN 22 HA GLN 22 -5.897 -2.365 -6.432
5 1HB GLN 22 1HB GLN 22 -4.434 0.169 -5.576
6 2HB GLN 22 2HB GLN 22 -3.758 -1.440 -5.361
7 1HG GLN 22 1HG GLN 22 -4.535 -0.287 -8.081
8 2HG GLN 22 2HG GLN 22 -2.929 -0.231 -7.371
9 1HE2 GLN 22 1HE2 GLN 22 -2.116 -1.467 -9.234
10 2HE2 GLN 22 2HE2 GLN 22 -2.400 -3.204 -9.279
11 H THR 23 H THR 23 -6.140 -3.760 -4.782
12 HA THR 23 HA THR 23 -7.773 -3.299 -2.642
13 HB THR 23 HB THR 23 -5.527 -5.341 -2.649
14 HG1 THR 23 HG1 THR 23 -6.976 -6.592 -3.833
15 1HG2 THR 23 3HG2 THR 23 -8.366 -5.435 -1.523
16 2HG2 THR 23 1HG2 THR 23 -7.201 -6.775 -1.515
17 3HG2 THR 23 2HG2 THR 23 -6.873 -5.330 -0.555
18 H CYS 24 H CYS 24 -7.712 -2.630 -0.600
19 HA CYS 24 HA CYS 24 -5.827 -0.885 0.424
20 1HB CYS 24 1HB CYS 24 -8.245 -1.326 1.104
21 2HB CYS 24 2HB CYS 24 -7.656 -2.701 2.033
22 H TYR 25 H TYR 25 -4.223 -0.953 2.032
23 HA TYR 25 HA TYR 25 -2.705 -3.359 2.466
24 1HB TYR 25 1HB TYR 25 -1.263 -2.132 3.688
25 2HB TYR 25 2HB TYR 25 -1.904 -0.904 2.626
26 HD1 TYR 25 HD1 TYR 25 -0.807 -1.439 5.818
27 HD2 TYR 25 HD2 TYR 25 -4.269 0.198 3.824
28 HE1 TYR 25 HE1 TYR 25 -1.374 -0.137 7.861
29 HE2 TYR 25 HE2 TYR 25 -4.866 1.438 5.892
30 HH TYR 25 HH TYR 25 -4.339 1.852 8.092
31 H ASN 26 H ASN 26 -5.585 -2.225 3.931
32 HA ASN 26 HA ASN 26 -5.337 -4.126 6.248
33 1HB ASN 26 1HB ASN 26 -4.877 -1.862 6.978
34 2HB ASN 26 2HB ASN 26 -6.268 -1.224 6.106
35 1HD2 ASN 26 2HD2 ASN 26 -8.374 -1.401 7.036
36 2HD2 ASN 26 1HD2 ASN 26 -8.567 -1.969 8.688
37 H CYS 27 H CYS 27 -7.703 -2.249 4.279
38 HA CYS 27 HA CYS 27 -9.942 -3.477 5.534
39 1HB CYS 27 1HB CYS 27 -9.808 -1.753 3.029
40 2HB CYS 27 2HB CYS 27 -11.222 -2.026 4.050
41 H GLY 28 H GLY 28 -8.081 -4.749 2.988
42 1HA GLY 28 2HA GLY 28 -9.695 -7.015 2.534
43 2HA GLY 28 1HA GLY 28 -8.364 -6.482 1.503
44 H LYS 29 H LYS 29 -9.691 -3.946 0.791
45 HA LYS 29 HA LYS 29 -12.038 -4.840 -0.837
46 1HB LYS 29 1HB LYS 29 -12.572 -3.462 1.124
47 2HB LYS 29 2HB LYS 29 -11.481 -2.213 0.564
48 1HG LYS 29 1HG LYS 29 -13.690 -1.508 0.052
49 2HG LYS 29 2HG LYS 29 -12.946 -1.930 -1.490
50 1HD LYS 29 1HD LYS 29 -14.142 -4.114 -1.470
51 2HD LYS 29 2HD LYS 29 -14.817 -3.729 0.127
52 1HE LYS 29 1HE LYS 29 -15.933 -1.723 -0.847
53 2HE LYS 29 2HE LYS 29 -15.294 -2.145 -2.440
54 1HZ LYS 29 1HZ LYS 29 -16.565 -4.230 -2.317
55 2HZ LYS 29 2HZ LYS 29 -17.153 -3.833 -0.846
56 3HZ LYS 29 3HZ LYS 29 -17.566 -2.953 -2.153
57 HA PRO 30 HA PRO 30 -9.203 -3.927 -4.235
58 1HB PRO 30 2HB PRO 30 -11.822 -3.932 -5.743
59 2HB PRO 30 1HB PRO 30 -10.247 -4.645 -6.217
60 1HG PRO 30 1HG PRO 30 -12.165 -6.218 -5.156
61 2HG PRO 30 2HG PRO 30 -10.469 -6.387 -4.591
62 1HD PRO 30 1HD PRO 30 -12.765 -4.955 -3.257
63 2HD PRO 30 2HD PRO 30 -11.504 -6.003 -2.543
64 H GLY 31 H GLY 31 -12.100 -1.909 -3.801
65 1HA GLY 31 2HA GLY 31 -12.658 0.227 -4.437
66 2HA GLY 31 1HA GLY 31 -11.379 0.165 -5.647
67 H HIS 32 H HIS 32 -9.247 -0.276 -3.627
68 HA HIS 32 HA HIS 32 -9.200 2.334 -2.196
69 1HB HIS 32 1HB HIS 32 -7.936 -0.339 -1.703
70 2HB HIS 32 2HB HIS 32 -7.091 1.098 -1.146
71 HD1 HIS 32 HD1 HIS 32 -10.607 -0.476 -0.731
72 HD2 HIS 32 HD2 HIS 32 -7.785 1.973 1.171
73 HE1 HIS 32 HE1 HIS 32 -11.544 0.018 1.608
74 H LEU 33 H LEU 33 -7.101 3.300 -1.942
75 HA LEU 33 HA LEU 33 -5.247 3.413 -4.203
76 1HB LEU 33 1HB LEU 33 -7.179 5.673 -3.451
77 2HB LEU 33 2HB LEU 33 -5.742 5.920 -4.428
78 HG LEU 33 HG LEU 33 -8.113 4.201 -5.255
79 1HD1 LEU 33 2HD1 LEU 33 -8.643 6.597 -5.154
80 2HD1 LEU 33 3HD1 LEU 33 -7.220 6.967 -6.153
81 3HD1 LEU 33 1HD1 LEU 33 -8.569 6.025 -6.828
82 1HD2 LEU 33 3HD2 LEU 33 -5.633 5.105 -6.798
83 2HD2 LEU 33 1HD2 LEU 33 -6.009 3.433 -6.319
84 3HD2 LEU 33 2HD2 LEU 33 -7.035 4.263 -7.493
85 H SER 34 H SER 34 -3.584 5.105 -3.692
86 HA SER 34 HA SER 34 -2.507 5.132 -1.093
87 1HB SER 34 1HB SER 34 -2.151 7.060 -3.420
88 2HB SER 34 2HB SER 34 -1.082 6.970 -2.010
89 HG SER 34 HG SER 34 -0.353 5.697 -3.822
90 H SER 35 H SER 35 -5.293 6.806 -1.981
91 HA SER 35 HA SER 35 -5.071 8.701 0.319
92 1HB SER 35 1HB SER 35 -6.588 10.172 -0.980
93 2HB SER 35 2HB SER 35 -5.038 9.893 -1.796
94 HG SER 35 HG SER 35 -6.848 9.661 -3.218
95 H GLN 36 H GLN 36 -6.792 5.969 -0.865
96 HA GLN 36 HA GLN 36 -9.357 6.553 0.443
97 1HB GLN 36 1HB GLN 36 -8.944 4.983 -1.575
98 2HB GLN 36 2HB GLN 36 -8.266 3.853 -0.408
99 1HG GLN 36 1HG GLN 36 -10.486 3.127 -0.603
100 2HG GLN 36 2HG GLN 36 -10.565 4.108 0.846
101 1HE2 GLN 36 2HE2 GLN 36 -11.652 3.741 -2.494
102 2HE2 GLN 36 1HE2 GLN 36 -12.686 5.164 -2.481
103 H CYS 37 H CYS 37 -6.393 4.790 1.128
104 HA CYS 37 HA CYS 37 -6.741 5.070 4.029
105 1HB CYS 37 1HB CYS 37 -6.240 2.437 2.588
106 2HB CYS 37 2HB CYS 37 -5.586 2.712 4.191
107 H ARG 38 H ARG 38 -4.430 4.265 4.954
108 HA ARG 38 HA ARG 38 -2.493 6.176 4.212
109 1HB ARG 38 1HB ARG 38 -2.166 3.518 5.673
110 2HB ARG 38 2HB ARG 38 -0.867 4.675 5.436
111 1HG ARG 38 1HG ARG 38 -1.613 5.000 7.605
112 2HG ARG 38 2HG ARG 38 -2.135 6.408 6.696
113 1HD ARG 38 1HD ARG 38 -4.003 4.067 7.208
114 2HD ARG 38 2HD ARG 38 -3.702 5.271 8.463
115 HE ARG 38 HE ARG 38 -4.375 6.913 6.455
116 1HH1 ARG 38 1HH1 ARG 38 -6.066 4.079 7.651
117 2HH1 ARG 38 2HH1 ARG 38 -7.596 4.627 7.029
118 1HH2 ARG 38 2HH2 ARG 38 -6.394 7.614 5.834
119 2HH2 ARG 38 1HH2 ARG 38 -7.782 6.604 6.108
120 H ALA 39 H ALA 39 -2.807 2.852 3.007
121 HA ALA 39 HA ALA 39 -1.507 3.594 0.530
122 1HB ALA 39 2HB ALA 39 0.490 3.057 1.935
123 2HB ALA 39 3HB ALA 39 -0.221 1.471 2.315
124 3HB ALA 39 1HB ALA 39 0.274 1.848 0.659
125 HA PRO 40 HA PRO 40 -3.755 -0.302 -0.657
126 1HB PRO 40 2HB PRO 40 -2.569 -0.896 -3.022
127 2HB PRO 40 1HB PRO 40 -3.702 0.480 -2.862
128 1HG PRO 40 1HG PRO 40 -0.667 0.551 -2.792
129 2HG PRO 40 2HG PRO 40 -1.775 1.585 -3.749
130 1HD PRO 40 1HD PRO 40 -0.710 2.357 -1.339
131 2HD PRO 40 2HD PRO 40 -2.331 2.877 -1.878
132 H LYS 41 H LYS 41 -3.020 -2.594 -1.067
133 HA LYS 41 HA LYS 41 -1.294 -3.475 0.937
134 1HB LYS 41 1HB LYS 41 -3.223 -4.674 -0.298
135 2HB LYS 41 2HB LYS 41 -2.052 -5.088 -1.534
136 1HG LYS 41 1HG LYS 41 -2.429 -6.946 -0.021
137 2HG LYS 41 2HG LYS 41 -0.760 -6.408 0.137
138 1HD LYS 41 1HD LYS 41 -1.299 -5.238 2.236
139 2HD LYS 41 2HD LYS 41 -3.027 -5.619 2.022
140 1HE LYS 41 1HE LYS 41 -2.506 -8.032 2.187
141 2HE LYS 41 2HE LYS 41 -0.791 -7.653 2.398
142 1HZ LYS 41 3HZ LYS 41 -2.955 -6.779 4.248
143 2HZ LYS 41 1HZ LYS 41 -1.913 -8.004 4.537
144 3HZ LYS 41 2HZ LYS 41 -1.368 -6.467 4.449
145 H VAL 42 H VAL 42 -0.241 -2.422 -2.098
146 HA VAL 42 HA VAL 42 2.284 -3.652 -2.471
147 HB VAL 42 HB VAL 42 1.524 -0.718 -2.812
148 1HG1 VAL 42 3HG1 VAL 42 3.706 -2.373 -4.140
149 2HG1 VAL 42 1HG1 VAL 42 3.247 -0.719 -4.606
150 3HG1 VAL 42 2HG1 VAL 42 3.948 -1.014 -3.017
151 1HG2 VAL 42 2HG2 VAL 42 1.298 -3.041 -4.776
152 2HG2 VAL 42 3HG2 VAL 42 -0.055 -2.126 -4.073
153 3HG2 VAL 42 1HG2 VAL 42 1.057 -1.328 -5.180
154 H CYS 43 H CYS 43 1.243 -1.301 -0.037
155 HA CYS 43 HA CYS 43 3.810 -1.471 1.420
156 1HB CYS 43 1HB CYS 43 3.888 0.347 -0.358
157 2HB CYS 43 2HB CYS 43 2.585 1.170 0.508
158 H PHE 44 H PHE 44 3.257 0.601 3.114
159 HA PHE 44 HA PHE 44 0.547 0.358 4.285
160 1HB PHE 44 1HB PHE 44 1.312 -0.020 6.494
161 2HB PHE 44 2HB PHE 44 2.075 -1.241 5.494
162 HD1 PHE 44 HD1 PHE 44 2.590 1.532 7.785
163 HD2 PHE 44 HD2 PHE 44 4.550 -0.914 4.821
164 HE1 PHE 44 HE1 PHE 44 4.802 2.287 8.622
165 HE2 PHE 44 HE2 PHE 44 6.758 -0.148 5.652
166 HZ PHE 44 HZ PHE 44 6.889 1.455 7.551
167 H LYS 45 H LYS 45 3.302 2.310 3.479
168 HA LYS 45 HA LYS 45 1.978 4.777 4.409
169 1HB LYS 45 1HB LYS 45 3.129 3.948 6.434
170 2HB LYS 45 2HB LYS 45 4.659 3.872 5.559
171 1HG LYS 45 1HG LYS 45 4.599 6.345 5.259
172 2HG LYS 45 2HG LYS 45 3.037 6.403 6.102
173 1HD LYS 45 1HD LYS 45 4.111 5.471 8.140
174 2HD LYS 45 2HD LYS 45 5.668 5.397 7.287
175 1HE LYS 45 1HE LYS 45 5.595 7.860 6.949
176 2HE LYS 45 2HE LYS 45 4.050 7.932 7.805
177 1HZ LYS 45 2HZ LYS 45 5.190 7.092 9.794
178 2HZ LYS 45 3HZ LYS 45 6.618 7.028 9.000
179 3HZ LYS 45 1HZ LYS 45 5.902 8.466 9.281
180 H CYS 46 H CYS 46 5.277 3.710 3.376
181 HA CYS 46 HA CYS 46 5.836 6.180 2.123
182 1HB CYS 46 1HB CYS 46 7.809 4.569 1.203
183 2HB CYS 46 2HB CYS 46 7.769 5.324 2.789
184 H LYS 47 H LYS 47 4.656 3.191 0.731
185 HA LYS 47 HA LYS 47 3.946 2.591 -1.358
186 1HB LYS 47 1HB LYS 47 1.871 3.695 -1.787
187 2HB LYS 47 2HB LYS 47 2.176 3.581 -0.064
188 1HG LYS 47 1HG LYS 47 3.072 6.055 -0.294
189 2HG LYS 47 2HG LYS 47 2.202 6.050 -1.830
190 1HD LYS 47 1HD LYS 47 0.104 5.532 -0.637
191 2HD LYS 47 2HD LYS 47 1.005 5.323 0.874
192 1HE LYS 47 1HE LYS 47 1.765 7.667 0.782
193 2HE LYS 47 2HE LYS 47 0.807 7.941 -0.681
194 1HZ LYS 47 2HZ LYS 47 -0.390 6.989 1.863
195 2HZ LYS 47 3HZ LYS 47 -0.281 8.591 1.493
196 3HZ LYS 47 1HZ LYS 47 -1.197 7.592 0.581
197 H GLN 48 H GLN 48 6.433 4.161 -1.857
198 HA GLN 48 HA GLN 48 6.038 5.577 -4.328
199 1HB GLN 48 1HB GLN 48 8.548 4.245 -3.238
200 2HB GLN 48 2HB GLN 48 8.506 5.391 -4.570
201 1HG GLN 48 1HG GLN 48 7.874 5.948 -1.651
202 2HG GLN 48 2HG GLN 48 9.242 6.527 -2.578
203 1HE2 GLN 48 2HE2 GLN 48 6.043 7.273 -1.584
204 2HE2 GLN 48 1HE2 GLN 48 5.824 8.681 -2.634
205 HA PRO 49 HA PRO 49 5.252 2.711 -7.397
206 1HB PRO 49 2HB PRO 49 7.664 3.676 -8.949
207 2HB PRO 49 1HB PRO 49 5.994 3.387 -9.533
208 1HG PRO 49 1HG PRO 49 6.785 5.895 -8.934
209 2HG PRO 49 2HG PRO 49 5.181 5.316 -8.375
210 1HD PRO 49 1HD PRO 49 7.748 5.550 -6.808
211 2HD PRO 49 2HD PRO 49 6.075 5.964 -6.334
212 H GLY 50 H GLY 50 8.612 2.314 -6.357
213 1HA GLY 50 2HA GLY 50 9.753 0.321 -7.656
214 2HA GLY 50 1HA GLY 50 8.425 -0.609 -6.968
215 H HIS 51 H HIS 51 9.185 1.622 -4.613
216 HA HIS 51 HA HIS 51 11.639 0.722 -3.538
217 1HB HIS 51 1HB HIS 51 11.107 2.014 -1.660
218 2HB HIS 51 2HB HIS 51 10.300 2.837 -2.981
219 HD1 HIS 51 HD1 HIS 51 7.428 1.822 -3.092
220 HD2 HIS 51 HD2 HIS 51 9.724 1.584 0.439
221 HE1 HIS 51 HE1 HIS 51 5.820 1.254 -1.221
222 H PHE 52 H PHE 52 8.441 -0.689 -3.203
223 HA PHE 52 HA PHE 52 8.673 -1.913 -0.711
224 1HB PHE 52 1HB PHE 52 6.774 -3.315 -1.437
225 2HB PHE 52 2HB PHE 52 6.556 -1.605 -1.745
226 HD1 PHE 52 HD1 PHE 52 6.960 -4.927 -3.298
227 HD2 PHE 52 HD2 PHE 52 6.506 -0.701 -4.055
228 HE1 PHE 52 HE1 PHE 52 6.425 -5.404 -5.670
229 HE2 PHE 52 HE2 PHE 52 5.964 -1.191 -6.421
230 HZ PHE 52 HZ PHE 52 5.929 -3.537 -7.239
231 H SER 53 H SER 53 9.555 -3.338 -3.885
232 HA SER 53 HA SER 53 10.327 -5.900 -3.024
233 1HB SER 53 1HB SER 53 11.562 -4.208 -5.230
234 2HB SER 53 2HB SER 53 11.667 -5.974 -5.078
235 HG SER 53 HG SER 53 9.999 -5.326 -6.519
236 H LYS 54 H LYS 54 11.834 -3.001 -2.098
237 HA LYS 54 HA LYS 54 14.362 -4.374 -1.269
238 1HB LYS 54 1HB LYS 54 14.015 -1.469 -2.126
239 2HB LYS 54 2HB LYS 54 15.528 -2.248 -1.682
240 1HG LYS 54 1HG LYS 54 13.858 -2.909 -4.148
241 2HG LYS 54 2HG LYS 54 15.302 -1.906 -4.109
242 1HD LYS 54 1HD LYS 54 16.685 -3.805 -3.414
243 2HD LYS 54 2HD LYS 54 15.259 -4.855 -3.329
244 1HE LYS 54 1HE LYS 54 14.824 -4.455 -5.747
245 2HE LYS 54 2HE LYS 54 16.276 -3.451 -5.836
246 1HZ LYS 54 3HZ LYS 54 16.242 -6.338 -5.118
247 2HZ LYS 54 1HZ LYS 54 16.719 -5.732 -6.556
248 3HZ LYS 54 2HZ LYS 54 17.586 -5.412 -5.213
249 H GLN 55 H GLN 55 11.578 -3.323 0.039
250 HA GLN 55 HA GLN 55 12.849 -2.837 2.643
251 1HB GLN 55 1HB GLN 55 12.730 -0.566 1.559
252 2HB GLN 55 2HB GLN 55 10.977 -0.729 1.476
253 1HG GLN 55 1HG GLN 55 10.987 -1.008 4.021
254 2HG GLN 55 2HG GLN 55 12.717 -0.652 3.986
255 1HE2 GLN 55 1HE2 GLN 55 9.466 0.654 3.455
256 2HE2 GLN 55 2HE2 GLN 55 9.943 2.344 3.480
257 H CYS 56 H CYS 56 9.576 -2.340 1.217
258 HA CYS 56 HA CYS 56 8.336 -3.386 3.612
259 1HB CYS 56 1HB CYS 56 7.139 -2.273 1.040
260 2HB CYS 56 2HB CYS 56 6.288 -2.530 2.567
261 H ARG 57 H ARG 57 9.296 -4.934 0.790
262 HA ARG 57 HA ARG 57 7.671 -7.348 1.308
263 1HB ARG 57 1HB ARG 57 6.680 -5.530 -0.441
264 2HB ARG 57 2HB ARG 57 7.826 -6.276 -1.527
265 1HG ARG 57 1HG ARG 57 5.545 -7.193 -1.727
266 2HG ARG 57 2HG ARG 57 6.696 -8.448 -1.284
267 1HD ARG 57 1HD ARG 57 4.494 -8.570 -0.064
268 2HD ARG 57 2HD ARG 57 5.901 -8.527 0.977
269 HE ARG 57 HE ARG 57 5.389 -6.336 1.691
270 1HH1 ARG 57 1HH2 ARG 57 2.984 -7.293 -0.708
271 2HH1 ARG 57 2HH2 ARG 57 1.964 -5.925 -0.279
272 1HH2 ARG 57 2HH1 ARG 57 3.984 -4.689 2.135
273 2HH2 ARG 57 1HH1 ARG 57 2.494 -4.553 1.211
274 H SER 58 H SER 58 10.591 -6.492 1.354
275 HA SER 58 HA SER 58 12.223 -7.602 -0.587
276 1HB SER 58 1HB SER 58 12.676 -7.682 2.416
277 2HB SER 58 2HB SER 58 13.919 -7.806 1.154
278 HG SER 58 HG SER 58 13.688 -5.651 1.981
No H/Q in entry = 278
Start of MODEL 28
1 H1 GLN 22 H1 GLN 22 -6.894 0.694 -5.654
2 H2 GLN 22 H3 GLN 22 -6.926 0.179 -7.220
3 H3 GLN 22 H2 GLN 22 -8.003 -0.411 -6.126
4 HA GLN 22 HA GLN 22 -6.345 -2.063 -6.532
5 1HB GLN 22 1HB GLN 22 -4.569 -0.426 -7.207
6 2HB GLN 22 2HB GLN 22 -4.351 0.003 -5.505
7 1HG GLN 22 1HG GLN 22 -3.665 -2.343 -5.008
8 2HG GLN 22 2HG GLN 22 -4.006 -2.795 -6.680
9 1HE2 GLN 22 2HE2 GLN 22 -1.866 -3.418 -7.255
10 2HE2 GLN 22 1HE2 GLN 22 -0.551 -2.254 -7.275
11 H THR 23 H THR 23 -6.293 -3.584 -4.906
12 HA THR 23 HA THR 23 -7.772 -3.272 -2.650
13 HB THR 23 HB THR 23 -5.474 -5.239 -2.895
14 HG1 THR 23 HG1 THR 23 -6.968 -6.473 -4.044
15 1HG2 THR 23 3HG2 THR 23 -8.231 -5.475 -1.600
16 2HG2 THR 23 1HG2 THR 23 -7.023 -6.770 -1.721
17 3HG2 THR 23 2HG2 THR 23 -6.686 -5.355 -0.719
18 H CYS 24 H CYS 24 -7.635 -2.595 -0.645
19 HA CYS 24 HA CYS 24 -5.729 -0.897 0.391
20 1HB CYS 24 1HB CYS 24 -8.127 -1.379 1.107
21 2HB CYS 24 2HB CYS 24 -7.512 -2.781 1.979
22 H TYR 25 H TYR 25 -4.088 -0.998 1.947
23 HA TYR 25 HA TYR 25 -2.533 -3.385 2.314
24 1HB TYR 25 1HB TYR 25 -1.121 -2.164 3.590
25 2HB TYR 25 2HB TYR 25 -1.768 -0.931 2.537
26 HD1 TYR 25 HD1 TYR 25 -0.784 -1.601 5.783
27 HD2 TYR 25 HD2 TYR 25 -4.096 0.203 3.681
28 HE1 TYR 25 HE1 TYR 25 -1.399 -0.329 7.832
29 HE2 TYR 25 HE2 TYR 25 -4.743 1.413 5.752
30 HH TYR 25 HH TYR 25 -4.298 1.767 7.968
31 H ASN 26 H ASN 26 -5.391 -2.297 3.890
32 HA ASN 26 HA ASN 26 -5.059 -4.252 6.150
33 1HB ASN 26 1HB ASN 26 -4.606 -1.996 6.899
34 2HB ASN 26 2HB ASN 26 -6.031 -1.362 6.082
35 1HD2 ASN 26 2HD2 ASN 26 -8.106 -1.584 7.072
36 2HD2 ASN 26 1HD2 ASN 26 -8.239 -2.174 8.722
37 H CYS 27 H CYS 27 -7.496 -2.390 4.266
38 HA CYS 27 HA CYS 27 -9.691 -3.680 5.554
39 1HB CYS 27 1HB CYS 27 -9.635 -1.879 3.104
40 2HB CYS 27 2HB CYS 27 -11.023 -2.200 4.148
41 H GLY 28 H GLY 28 -7.854 -4.837 2.943
42 1HA GLY 28 2HA GLY 28 -9.401 -7.133 2.462
43 2HA GLY 28 1HA GLY 28 -8.124 -6.523 1.406
44 H LYS 29 H LYS 29 -9.513 -4.033 0.742
45 HA LYS 29 HA LYS 29 -11.831 -4.999 -0.884
46 1HB LYS 29 1HB LYS 29 -12.374 -3.692 1.209
47 2HB LYS 29 2HB LYS 29 -11.516 -2.336 0.520
48 1HG LYS 29 1HG LYS 29 -13.569 -1.720 -0.187
49 2HG LYS 29 2HG LYS 29 -13.248 -2.800 -1.538
50 1HD LYS 29 1HD LYS 29 -14.811 -3.439 1.007
51 2HD LYS 29 2HD LYS 29 -15.490 -3.147 -0.597
52 1HE LYS 29 1HE LYS 29 -14.344 -5.179 -1.459
53 2HE LYS 29 2HE LYS 29 -13.671 -5.480 0.151
54 1HZ LYS 29 2HZ LYS 29 -16.571 -5.434 -0.494
55 2HZ LYS 29 3HZ LYS 29 -15.687 -6.777 -0.217
56 3HZ LYS 29 1HZ LYS 29 -15.944 -5.712 0.990
57 HA PRO 30 HA PRO 30 -9.180 -3.684 -4.284
58 1HB PRO 30 2HB PRO 30 -11.852 -3.674 -5.695
59 2HB PRO 30 1HB PRO 30 -10.269 -4.281 -6.278
60 1HG PRO 30 1HG PRO 30 -12.085 -6.013 -5.288
61 2HG PRO 30 2HG PRO 30 -10.364 -6.158 -4.797
62 1HD PRO 30 1HD PRO 30 -12.662 -4.932 -3.269
63 2HD PRO 30 2HD PRO 30 -11.333 -5.984 -2.691
64 H GLY 31 H GLY 31 -12.121 -1.828 -3.556
65 1HA GLY 31 2HA GLY 31 -12.807 0.313 -4.017
66 2HA GLY 31 1HA GLY 31 -11.582 0.400 -5.281
67 H HIS 32 H HIS 32 -9.272 0.037 -3.598
68 HA HIS 32 HA HIS 32 -9.321 2.471 -1.872
69 1HB HIS 32 1HB HIS 32 -7.920 -0.170 -1.627
70 2HB HIS 32 2HB HIS 32 -7.139 1.266 -0.976
71 HD1 HIS 32 HD1 HIS 32 -10.487 -0.624 -0.564
72 HD2 HIS 32 HD2 HIS 32 -7.892 2.046 1.361
73 HE1 HIS 32 HE1 HIS 32 -11.420 -0.294 1.808
74 H LEU 33 H LEU 33 -7.511 3.706 -1.681
75 HA LEU 33 HA LEU 33 -5.563 4.083 -3.832
76 1HB LEU 33 1HB LEU 33 -7.895 5.988 -3.256
77 2HB LEU 33 2HB LEU 33 -6.478 6.449 -4.184
78 HG LEU 33 HG LEU 33 -8.494 4.335 -5.039
79 1HD1 LEU 33 1HD1 LEU 33 -9.412 6.609 -5.046
80 2HD1 LEU 33 2HD1 LEU 33 -8.031 7.179 -6.007
81 3HD1 LEU 33 3HD1 LEU 33 -9.179 6.004 -6.693
82 1HD2 LEU 33 2HD2 LEU 33 -6.136 5.590 -6.526
83 2HD2 LEU 33 3HD2 LEU 33 -6.242 3.898 -5.991
84 3HD2 LEU 33 1HD2 LEU 33 -7.346 4.498 -7.233
85 H SER 34 H SER 34 -4.261 6.106 -3.254
86 HA SER 34 HA SER 34 -3.408 6.382 -0.588
87 1HB SER 34 1HB SER 34 -3.412 8.497 -2.776
88 2HB SER 34 2HB SER 34 -2.335 8.437 -1.368
89 HG SER 34 HG SER 34 -1.473 7.572 -3.410
90 H SER 35 H SER 35 -6.287 7.718 -2.038
91 HA SER 35 HA SER 35 -6.776 9.685 0.114
92 1HB SER 35 1HB SER 35 -8.767 10.221 -1.291
93 2HB SER 35 2HB SER 35 -7.229 10.376 -2.153
94 HG SER 35 HG SER 35 -8.830 9.239 -3.373
95 H GLN 36 H GLN 36 -7.295 6.374 -0.238
96 HA GLN 36 HA GLN 36 -9.893 6.373 1.244
97 1HB GLN 36 1HB GLN 36 -9.485 5.139 -1.036
98 2HB GLN 36 2HB GLN 36 -8.569 3.993 -0.064
99 1HG GLN 36 1HG GLN 36 -10.688 3.020 -0.140
100 2HG GLN 36 2HG GLN 36 -10.748 3.848 1.408
101 1HE2 GLN 36 2HE2 GLN 36 -12.075 3.639 -1.848
102 2HE2 GLN 36 1HE2 GLN 36 -13.273 4.913 -1.626
103 H CYS 37 H CYS 37 -6.616 4.962 1.248
104 HA CYS 37 HA CYS 37 -6.520 4.942 4.185
105 1HB CYS 37 1HB CYS 37 -6.160 2.453 2.466
106 2HB CYS 37 2HB CYS 37 -5.322 2.627 3.989
107 H ARG 38 H ARG 38 -4.177 4.285 4.816
108 HA ARG 38 HA ARG 38 -2.343 6.210 3.857
109 1HB ARG 38 1HB ARG 38 -1.843 3.594 5.354
110 2HB ARG 38 2HB ARG 38 -0.604 4.787 5.003
111 1HG ARG 38 1HG ARG 38 -1.165 5.175 7.195
112 2HG ARG 38 2HG ARG 38 -1.899 6.504 6.315
113 1HD ARG 38 1HD ARG 38 -3.486 4.024 7.080
114 2HD ARG 38 2HD ARG 38 -3.169 5.301 8.259
115 HE ARG 38 HE ARG 38 -4.205 6.669 6.088
116 1HH1 ARG 38 1HH2 ARG 38 -5.428 4.213 8.268
117 2HH1 ARG 38 2HH2 ARG 38 -7.085 4.688 8.020
118 1HH2 ARG 38 1HH1 ARG 38 -6.343 7.270 5.879
119 2HH2 ARG 38 2HH1 ARG 38 -7.576 6.375 6.712
120 H ALA 39 H ALA 39 -2.703 2.842 2.775
121 HA ALA 39 HA ALA 39 -1.489 3.502 0.232
122 1HB ALA 39 1HB ALA 39 0.561 3.061 1.577
123 2HB ALA 39 2HB ALA 39 -0.114 1.493 2.082
124 3HB ALA 39 3HB ALA 39 0.322 1.769 0.390
125 HA PRO 40 HA PRO 40 -3.685 -0.428 -0.827
126 1HB PRO 40 2HB PRO 40 -2.527 -1.043 -3.201
127 2HB PRO 40 1HB PRO 40 -3.675 0.321 -3.040
128 1HG PRO 40 1HG PRO 40 -0.641 0.428 -3.020
129 2HG PRO 40 2HG PRO 40 -1.776 1.436 -3.975
130 1HD PRO 40 1HD PRO 40 -0.689 2.258 -1.597
131 2HD PRO 40 2HD PRO 40 -2.330 2.745 -2.110
132 H LYS 41 H LYS 41 -2.953 -2.708 -1.237
133 HA LYS 41 HA LYS 41 -1.214 -3.567 0.757
134 1HB LYS 41 1HB LYS 41 -3.162 -4.771 -0.438
135 2HB LYS 41 2HB LYS 41 -2.005 -5.218 -1.677
136 1HG LYS 41 1HG LYS 41 -2.404 -7.037 -0.102
137 2HG LYS 41 2HG LYS 41 -0.718 -6.538 -0.022
138 1HD LYS 41 1HD LYS 41 -1.136 -5.310 2.065
139 2HD LYS 41 2HD LYS 41 -2.883 -5.628 1.926
140 1HE LYS 41 1HE LYS 41 -2.483 -8.036 2.171
141 2HE LYS 41 2HE LYS 41 -0.736 -7.763 2.247
142 1HZ LYS 41 1HZ LYS 41 -2.683 -6.651 4.207
143 2HZ LYS 41 2HZ LYS 41 -1.756 -7.975 4.471
144 3HZ LYS 41 3HZ LYS 41 -1.064 -6.507 4.292
145 H VAL 42 H VAL 42 -0.151 -2.563 -2.292
146 HA VAL 42 HA VAL 42 2.357 -3.859 -2.620
147 HB VAL 42 HB VAL 42 1.614 -0.939 -3.083
148 1HG1 VAL 42 3HG1 VAL 42 3.858 -2.618 -4.279
149 2HG1 VAL 42 1HG1 VAL 42 3.383 -0.999 -4.837
150 3HG1 VAL 42 2HG1 VAL 42 4.042 -1.204 -3.217
151 1HG2 VAL 42 2HG2 VAL 42 1.471 -3.339 -4.963
152 2HG2 VAL 42 3HG2 VAL 42 0.087 -2.427 -4.320
153 3HG2 VAL 42 1HG2 VAL 42 1.206 -1.643 -5.430
154 H CYS 43 H CYS 43 1.331 -1.444 -0.265
155 HA CYS 43 HA CYS 43 3.883 -1.615 1.221
156 1HB CYS 43 1HB CYS 43 3.968 0.217 -0.535
157 2HB CYS 43 2HB CYS 43 2.637 1.017 0.310
158 H PHE 44 H PHE 44 3.276 0.430 2.939
159 HA PHE 44 HA PHE 44 0.535 0.139 4.042
160 1HB PHE 44 1HB PHE 44 1.286 -0.151 6.278
161 2HB PHE 44 2HB PHE 44 2.085 -1.380 5.315
162 HD1 PHE 44 HD1 PHE 44 2.517 1.496 7.511
163 HD2 PHE 44 HD2 PHE 44 4.559 -1.052 4.691
164 HE1 PHE 44 HE1 PHE 44 4.702 2.298 8.367
165 HE2 PHE 44 HE2 PHE 44 6.742 -0.240 5.545
166 HZ PHE 44 HZ PHE 44 6.822 1.435 7.380
167 H LYS 45 H LYS 45 3.120 2.156 3.096
168 HA LYS 45 HA LYS 45 1.864 4.633 4.101
169 1HB LYS 45 1HB LYS 45 3.114 3.847 6.061
170 2HB LYS 45 2HB LYS 45 4.560 3.605 5.087
171 1HG LYS 45 1HG LYS 45 4.647 6.106 4.695
172 2HG LYS 45 2HG LYS 45 3.219 6.271 5.724
173 1HD LYS 45 1HD LYS 45 5.200 6.789 7.008
174 2HD LYS 45 2HD LYS 45 4.510 5.279 7.624
175 1HE LYS 45 1HE LYS 45 6.194 3.976 6.346
176 2HE LYS 45 2HE LYS 45 6.832 5.465 5.640
177 1HZ LYS 45 2HZ LYS 45 6.881 4.805 8.541
178 2HZ LYS 45 3HZ LYS 45 8.164 4.732 7.535
179 3HZ LYS 45 1HZ LYS 45 7.482 6.173 7.879
180 H CYS 46 H CYS 46 5.094 3.558 2.982
181 HA CYS 46 HA CYS 46 5.670 5.989 1.719
182 1HB CYS 46 1HB CYS 46 7.478 3.999 0.776
183 2HB CYS 46 2HB CYS 46 7.707 5.203 2.024
184 H LYS 47 H LYS 47 4.596 2.944 0.308
185 HA LYS 47 HA LYS 47 4.032 2.275 -1.811
186 1HB LYS 47 1HB LYS 47 2.002 3.402 -2.534
187 2HB LYS 47 2HB LYS 47 2.074 3.171 -0.793
188 1HG LYS 47 1HG LYS 47 2.743 5.542 -0.496
189 2HG LYS 47 2HG LYS 47 2.631 5.799 -2.239
190 1HD LYS 47 1HD LYS 47 0.258 5.411 -2.210
191 2HD LYS 47 2HD LYS 47 0.292 4.805 -0.547
192 1HE LYS 47 1HE LYS 47 1.146 7.631 -1.297
193 2HE LYS 47 2HE LYS 47 -0.519 7.212 -0.878
194 1HZ LYS 47 3HZ LYS 47 1.775 6.727 0.956
195 2HZ LYS 47 1HZ LYS 47 0.756 8.010 1.058
196 3HZ LYS 47 2HZ LYS 47 0.202 6.484 1.283
197 H GLN 48 H GLN 48 6.503 3.954 -2.093
198 HA GLN 48 HA GLN 48 6.298 5.294 -4.625
199 1HB GLN 48 1HB GLN 48 8.747 4.139 -3.233
200 2HB GLN 48 2HB GLN 48 8.786 5.249 -4.596
201 1HG GLN 48 1HG GLN 48 7.785 5.839 -1.784
202 2HG GLN 48 2HG GLN 48 9.229 6.464 -2.555
203 1HE2 GLN 48 2HE2 GLN 48 5.898 7.074 -1.981
204 2HE2 GLN 48 1HE2 GLN 48 5.748 8.440 -3.094
205 HA PRO 49 HA PRO 49 5.970 2.326 -7.671
206 1HB PRO 49 2HB PRO 49 8.447 3.412 -9.026
207 2HB PRO 49 1HB PRO 49 6.856 3.009 -9.748
208 1HG PRO 49 1HG PRO 49 7.436 5.569 -9.138
209 2HG PRO 49 2HG PRO 49 5.826 4.901 -8.712
210 1HD PRO 49 1HD PRO 49 8.221 5.326 -6.928
211 2HD PRO 49 2HD PRO 49 6.491 5.637 -6.616
212 H GLY 50 H GLY 50 9.224 2.128 -6.309
213 1HA GLY 50 2HA GLY 50 10.564 0.143 -7.487
214 2HA GLY 50 1HA GLY 50 9.233 -0.807 -6.826
215 H HIS 51 H HIS 51 9.482 1.370 -4.463
216 HA HIS 51 HA HIS 51 11.948 0.636 -3.140
217 1HB HIS 51 1HB HIS 51 11.249 2.026 -1.422
218 2HB HIS 51 2HB HIS 51 10.512 2.766 -2.831
219 HD1 HIS 51 HD1 HIS 51 7.680 1.705 -3.080
220 HD2 HIS 51 HD2 HIS 51 9.757 1.587 0.588
221 HE1 HIS 51 HE1 HIS 51 5.970 1.129 -1.293
222 H PHE 52 H PHE 52 8.724 -0.782 -3.170
223 HA PHE 52 HA PHE 52 8.730 -1.922 -0.599
224 1HB PHE 52 1HB PHE 52 6.866 -3.341 -1.469
225 2HB PHE 52 2HB PHE 52 6.676 -1.615 -1.685
226 HD1 PHE 52 HD1 PHE 52 6.683 -0.574 -3.912
227 HD2 PHE 52 HD2 PHE 52 7.164 -4.838 -3.432
228 HE1 PHE 52 HE1 PHE 52 6.243 -0.899 -6.326
229 HE2 PHE 52 HE2 PHE 52 6.729 -5.153 -5.853
230 HZ PHE 52 HZ PHE 52 6.272 -3.184 -7.307
231 H SER 53 H SER 53 9.675 -3.502 -3.696
232 HA SER 53 HA SER 53 10.361 -6.026 -2.690
233 1HB SER 53 1HB SER 53 11.701 -4.510 -4.959
234 2HB SER 53 2HB SER 53 11.704 -6.268 -4.719
235 HG SER 53 HG SER 53 10.094 -5.614 -6.212
236 H LYS 54 H LYS 54 11.903 -3.184 -1.768
237 HA LYS 54 HA LYS 54 14.248 -4.650 -0.690
238 1HB LYS 54 1HB LYS 54 15.756 -2.846 -1.352
239 2HB LYS 54 2HB LYS 54 14.990 -3.590 -2.747
240 1HG LYS 54 1HG LYS 54 13.390 -1.664 -2.894
241 2HG LYS 54 2HG LYS 54 14.170 -0.935 -1.483
242 1HD LYS 54 1HD LYS 54 15.096 0.175 -3.370
243 2HD LYS 54 2HD LYS 54 16.337 -0.927 -2.790
244 1HE LYS 54 1HE LYS 54 16.415 -1.212 -5.107
245 2HE LYS 54 2HE LYS 54 15.481 -2.604 -4.566
246 1HZ LYS 54 1HZ LYS 54 13.436 -1.318 -5.195
247 2HZ LYS 54 2HZ LYS 54 14.379 -0.098 -5.732
248 3HZ LYS 54 3HZ LYS 54 14.430 -1.547 -6.469
249 H GLN 55 H GLN 55 11.601 -3.369 0.354
250 HA GLN 55 HA GLN 55 12.828 -2.556 2.887
251 1HB GLN 55 1HB GLN 55 12.675 -0.415 1.527
252 2HB GLN 55 2HB GLN 55 10.920 -0.606 1.530
253 1HG GLN 55 1HG GLN 55 11.040 -0.632 4.091
254 2HG GLN 55 2HG GLN 55 12.755 -0.242 3.945
255 1HE2 GLN 55 1HE2 GLN 55 9.455 0.928 3.506
256 2HE2 GLN 55 2HE2 GLN 55 9.880 2.624 3.339
257 H CYS 56 H CYS 56 9.643 -2.568 1.206
258 HA CYS 56 HA CYS 56 8.306 -3.306 3.740
259 1HB CYS 56 1HB CYS 56 7.202 -2.160 1.142
260 2HB CYS 56 2HB CYS 56 6.317 -2.380 2.654
261 H ARG 57 H ARG 57 9.321 -4.917 1.014
262 HA ARG 57 HA ARG 57 7.657 -7.294 1.523
263 1HB ARG 57 1HB ARG 57 6.735 -5.553 -0.329
264 2HB ARG 57 2HB ARG 57 7.944 -6.307 -1.340
265 1HG ARG 57 1HG ARG 57 5.682 -7.269 -1.612
266 2HG ARG 57 2HG ARG 57 6.839 -8.490 -1.098
267 1HD ARG 57 1HD ARG 57 4.592 -8.627 0.040
268 2HD ARG 57 2HD ARG 57 5.959 -8.538 1.131
269 HE ARG 57 HE ARG 57 5.390 -6.328 1.766
270 1HH1 ARG 57 1HH1 ARG 57 3.085 -7.409 -0.672
271 2HH1 ARG 57 2HH1 ARG 57 2.034 -6.040 -0.333
272 1HH2 ARG 57 1HH2 ARG 57 3.955 -4.689 2.103
273 2HH2 ARG 57 2HH2 ARG 57 2.494 -4.607 1.127
274 H SER 58 H SER 58 10.548 -6.433 1.712
275 HA SER 58 HA SER 58 12.308 -7.578 -0.097
276 1HB SER 58 1HB SER 58 12.583 -7.563 2.929
277 2HB SER 58 2HB SER 58 13.897 -7.680 1.743
278 HG SER 58 HG SER 58 13.566 -5.514 2.508
No H/Q in entry = 278
Start of MODEL 29
1 H1 GLN 22 H2 GLN 22 -7.668 -0.457 -7.220
2 H2 GLN 22 H1 GLN 22 -6.910 0.726 -6.378
3 H3 GLN 22 H3 GLN 22 -6.329 0.250 -7.847
4 HA GLN 22 HA GLN 22 -5.764 -1.912 -7.002
5 1HB GLN 22 1HB GLN 22 -4.651 0.271 -5.176
6 2HB GLN 22 2HB GLN 22 -3.954 -1.324 -5.456
7 1HG GLN 22 1HG GLN 22 -3.609 -0.752 -7.860
8 2HG GLN 22 2HG GLN 22 -4.232 0.872 -7.543
9 1HE2 GLN 22 2HE2 GLN 22 -2.414 2.207 -7.704
10 2HE2 GLN 22 1HE2 GLN 22 -0.930 1.900 -6.810
11 H THR 23 H THR 23 -5.007 -2.483 -4.336
12 HA THR 23 HA THR 23 -7.649 -2.933 -2.998
13 HB THR 23 HB THR 23 -5.315 -4.852 -3.352
14 HG1 THR 23 HG1 THR 23 -6.734 -5.940 -4.701
15 1HG2 THR 23 3HG2 THR 23 -6.546 -5.312 -1.238
16 2HG2 THR 23 1HG2 THR 23 -8.071 -5.375 -2.153
17 3HG2 THR 23 2HG2 THR 23 -6.800 -6.579 -2.439
18 H CYS 24 H CYS 24 -7.669 -2.717 -0.778
19 HA CYS 24 HA CYS 24 -5.823 -0.974 0.405
20 1HB CYS 24 1HB CYS 24 -8.270 -1.509 1.015
21 2HB CYS 24 2HB CYS 24 -7.629 -2.877 1.930
22 H TYR 25 H TYR 25 -4.225 -1.135 1.974
23 HA TYR 25 HA TYR 25 -2.785 -3.627 2.329
24 1HB TYR 25 1HB TYR 25 -1.245 -2.465 3.504
25 2HB TYR 25 2HB TYR 25 -1.854 -1.208 2.457
26 HD1 TYR 25 HD1 TYR 25 -0.731 -1.829 5.642
27 HD2 TYR 25 HD2 TYR 25 -4.096 0.051 3.696
28 HE1 TYR 25 HE1 TYR 25 -1.124 -0.423 7.661
29 HE2 TYR 25 HE2 TYR 25 -4.492 1.432 5.714
30 HH TYR 25 HH TYR 25 -3.826 1.915 7.844
31 H ASN 26 H ASN 26 -5.533 -2.267 3.956
32 HA ASN 26 HA ASN 26 -5.231 -4.209 6.232
33 1HB ASN 26 1HB ASN 26 -4.454 -1.969 6.847
34 2HB ASN 26 2HB ASN 26 -5.964 -1.250 6.287
35 1HD2 ASN 26 1HD2 ASN 26 -7.635 -1.079 7.785
36 2HD2 ASN 26 2HD2 ASN 26 -7.598 -1.864 9.354
37 H CYS 27 H CYS 27 -7.644 -2.223 4.396
38 HA CYS 27 HA CYS 27 -9.912 -3.296 5.756
39 1HB CYS 27 1HB CYS 27 -9.732 -1.988 3.006
40 2HB CYS 27 2HB CYS 27 -11.188 -2.184 3.984
41 H GLY 28 H GLY 28 -7.958 -4.747 3.313
42 1HA GLY 28 2HA GLY 28 -9.483 -7.138 3.007
43 2HA GLY 28 1HA GLY 28 -8.170 -6.593 1.954
44 H LYS 29 H LYS 29 -9.577 -4.097 1.203
45 HA LYS 29 HA LYS 29 -11.910 -5.078 -0.404
46 1HB LYS 29 1HB LYS 29 -11.212 -2.326 0.689
47 2HB LYS 29 2HB LYS 29 -12.551 -2.621 -0.404
48 1HG LYS 29 1HG LYS 29 -12.316 -3.606 2.453
49 2HG LYS 29 2HG LYS 29 -13.288 -2.285 1.854
50 1HD LYS 29 1HD LYS 29 -14.910 -3.884 1.990
51 2HD LYS 29 2HD LYS 29 -14.424 -4.078 0.315
52 1HE LYS 29 1HE LYS 29 -14.693 -6.254 1.310
53 2HE LYS 29 2HE LYS 29 -12.979 -6.019 0.988
54 1HZ LYS 29 3HZ LYS 29 -14.264 -5.640 3.643
55 2HZ LYS 29 1HZ LYS 29 -13.395 -6.951 3.206
56 3HZ LYS 29 2HZ LYS 29 -12.656 -5.504 3.350
57 HA PRO 30 HA PRO 30 -9.758 -3.330 -4.066
58 1HB PRO 30 2HB PRO 30 -11.795 -3.417 -5.847
59 2HB PRO 30 1HB PRO 30 -11.024 -4.913 -5.252
60 1HG PRO 30 1HG PRO 30 -13.576 -3.615 -4.239
61 2HG PRO 30 2HG PRO 30 -13.328 -5.321 -4.732
62 1HD PRO 30 1HD PRO 30 -13.172 -4.469 -2.127
63 2HD PRO 30 2HD PRO 30 -12.180 -5.822 -2.750
64 H GLY 31 H GLY 31 -10.894 -1.477 -5.729
65 1HA GLY 31 2HA GLY 31 -12.606 0.488 -4.572
66 2HA GLY 31 1HA GLY 31 -11.498 0.745 -5.927
67 H HIS 32 H HIS 32 -9.119 0.036 -4.323
68 HA HIS 32 HA HIS 32 -8.973 2.285 -2.370
69 1HB HIS 32 1HB HIS 32 -8.152 -0.583 -2.274
70 2HB HIS 32 2HB HIS 32 -7.035 0.573 -1.557
71 HD1 HIS 32 HD1 HIS 32 -10.775 -0.413 -1.180
72 HD2 HIS 32 HD2 HIS 32 -7.587 1.502 0.788
73 HE1 HIS 32 HE1 HIS 32 -11.579 0.076 1.208
74 H LEU 33 H LEU 33 -7.161 3.415 -2.106
75 HA LEU 33 HA LEU 33 -4.969 3.514 -4.056
76 1HB LEU 33 1HB LEU 33 -7.223 5.584 -3.849
77 2HB LEU 33 2HB LEU 33 -5.682 5.925 -4.616
78 HG LEU 33 HG LEU 33 -7.691 3.872 -5.616
79 1HD1 LEU 33 1HD1 LEU 33 -8.463 6.187 -5.850
80 2HD1 LEU 33 2HD1 LEU 33 -6.938 6.629 -6.649
81 3HD1 LEU 33 3HD1 LEU 33 -8.056 5.481 -7.424
82 1HD2 LEU 33 2HD2 LEU 33 -5.085 4.909 -6.831
83 2HD2 LEU 33 3HD2 LEU 33 -5.373 3.255 -6.245
84 3HD2 LEU 33 1HD2 LEU 33 -6.262 3.858 -7.649
85 H SER 34 H SER 34 -3.602 5.459 -3.537
86 HA SER 34 HA SER 34 -2.831 5.923 -0.903
87 1HB SER 34 1HB SER 34 -2.735 7.899 -3.214
88 2HB SER 34 2HB SER 34 -1.635 7.835 -1.827
89 HG SER 34 HG SER 34 -0.806 6.838 -3.775
90 H SER 35 H SER 35 -5.639 7.254 -2.480
91 HA SER 35 HA SER 35 -6.043 9.393 -0.464
92 1HB SER 35 1HB SER 35 -7.856 10.074 -2.035
93 2HB SER 35 2HB SER 35 -6.249 10.044 -2.780
94 HG SER 35 HG SER 35 -7.860 9.026 -4.090
95 H GLN 36 H GLN 36 -6.994 6.137 -0.936
96 HA GLN 36 HA GLN 36 -9.635 6.452 0.397
97 1HB GLN 36 1HB GLN 36 -9.216 4.946 -1.649
98 2HB GLN 36 2HB GLN 36 -8.284 3.911 -0.568
99 1HG GLN 36 1HG GLN 36 -10.426 2.937 -0.667
100 2HG GLN 36 2HG GLN 36 -10.402 3.747 0.891
101 1HE2 GLN 36 2HE2 GLN 36 -11.858 3.625 -2.320
102 2HE2 GLN 36 1HE2 GLN 36 -13.081 4.853 -1.993
103 H CYS 37 H CYS 37 -6.443 4.948 0.879
104 HA CYS 37 HA CYS 37 -6.706 5.040 3.821
105 1HB CYS 37 1HB CYS 37 -6.236 2.534 2.156
106 2HB CYS 37 2HB CYS 37 -5.582 2.664 3.781
107 H ARG 38 H ARG 38 -4.571 4.409 4.803
108 HA ARG 38 HA ARG 38 -2.461 6.131 4.100
109 1HB ARG 38 1HB ARG 38 -2.662 3.649 5.827
110 2HB ARG 38 2HB ARG 38 -1.106 4.452 5.604
111 1HG ARG 38 1HG ARG 38 -1.795 6.460 6.578
112 2HG ARG 38 2HG ARG 38 -3.514 6.096 6.444
113 1HD ARG 38 1HD ARG 38 -1.735 4.341 8.158
114 2HD ARG 38 2HD ARG 38 -2.282 5.918 8.758
115 HE ARG 38 HE ARG 38 -4.575 4.606 7.779
116 1HH1 ARG 38 2HH1 ARG 38 -2.343 4.173 10.442
117 2HH1 ARG 38 1HH1 ARG 38 -3.571 3.498 11.479
118 1HH2 ARG 38 1HH2 ARG 38 -6.086 3.721 9.145
119 2HH2 ARG 38 2HH2 ARG 38 -5.629 3.244 10.751
120 H ALA 39 H ALA 39 -2.872 2.779 3.000
121 HA ALA 39 HA ALA 39 -1.439 3.452 0.606
122 1HB ALA 39 3HB ALA 39 0.521 2.876 2.040
123 2HB ALA 39 1HB ALA 39 -0.235 1.311 2.427
124 3HB ALA 39 2HB ALA 39 0.300 1.658 0.777
125 HA PRO 40 HA PRO 40 -3.687 -0.378 -0.677
126 1HB PRO 40 2HB PRO 40 -2.477 -0.918 -3.049
127 2HB PRO 40 1HB PRO 40 -3.621 0.445 -2.857
128 1HG PRO 40 1HG PRO 40 -0.589 0.535 -2.790
129 2HG PRO 40 2HG PRO 40 -1.709 1.597 -3.701
130 1HD PRO 40 1HD PRO 40 -0.627 2.274 -1.265
131 2HD PRO 40 2HD PRO 40 -2.240 2.835 -1.791
132 H LYS 41 H LYS 41 -2.986 -2.653 -1.104
133 HA LYS 41 HA LYS 41 -1.289 -3.667 0.858
134 1HB LYS 41 1HB LYS 41 -3.176 -4.832 -0.353
135 2HB LYS 41 2HB LYS 41 -2.125 -5.015 -1.745
136 1HG LYS 41 1HG LYS 41 -2.227 -7.104 -0.574
137 2HG LYS 41 2HG LYS 41 -0.609 -6.470 -0.421
138 1HD LYS 41 1HD LYS 41 -1.140 -7.370 1.690
139 2HD LYS 41 2HD LYS 41 -1.282 -5.628 1.926
140 1HE LYS 41 1HE LYS 41 -3.770 -5.828 1.607
141 2HE LYS 41 2HE LYS 41 -3.578 -7.564 1.355
142 1HZ LYS 41 1HZ LYS 41 -2.654 -7.687 3.645
143 2HZ LYS 41 2HZ LYS 41 -3.000 -6.098 3.881
144 3HZ LYS 41 3HZ LYS 41 -4.198 -7.171 3.626
145 H VAL 42 H VAL 42 -0.205 -2.529 -2.181
146 HA VAL 42 HA VAL 42 2.316 -3.747 -2.545
147 HB VAL 42 HB VAL 42 1.549 -0.816 -2.881
148 1HG1 VAL 42 2HG1 VAL 42 3.760 -2.446 -4.198
149 2HG1 VAL 42 3HG1 VAL 42 3.282 -0.801 -4.667
150 3HG1 VAL 42 1HG1 VAL 42 3.977 -1.084 -3.074
151 1HG2 VAL 42 1HG2 VAL 42 1.356 -3.143 -4.845
152 2HG2 VAL 42 2HG2 VAL 42 -0.008 -2.236 -4.153
153 3HG2 VAL 42 3HG2 VAL 42 1.102 -1.432 -5.253
154 H CYS 43 H CYS 43 1.296 -1.435 -0.077
155 HA CYS 43 HA CYS 43 3.864 -1.647 1.367
156 1HB CYS 43 1HB CYS 43 3.943 0.223 -0.350
157 2HB CYS 43 2HB CYS 43 2.632 1.015 0.535
158 H PHE 44 H PHE 44 3.263 0.427 3.099
159 HA PHE 44 HA PHE 44 0.569 0.055 4.275
160 1HB PHE 44 1HB PHE 44 1.335 -0.332 6.465
161 2HB PHE 44 2HB PHE 44 2.216 -1.468 5.462
162 HD1 PHE 44 HD1 PHE 44 2.449 1.256 7.839
163 HD2 PHE 44 HD2 PHE 44 4.671 -0.889 4.823
164 HE1 PHE 44 HE1 PHE 44 4.570 2.177 8.744
165 HE2 PHE 44 HE2 PHE 44 6.786 0.044 5.726
166 HZ PHE 44 HZ PHE 44 6.740 1.580 7.683
167 H LYS 45 H LYS 45 3.297 2.122 3.570
168 HA LYS 45 HA LYS 45 1.796 4.521 4.402
169 1HB LYS 45 1HB LYS 45 2.914 3.732 6.479
170 2HB LYS 45 2HB LYS 45 4.483 3.820 5.676
171 1HG LYS 45 1HG LYS 45 4.205 6.276 5.410
172 2HG LYS 45 2HG LYS 45 2.590 6.172 6.142
173 1HD LYS 45 1HD LYS 45 3.608 5.303 8.242
174 2HD LYS 45 2HD LYS 45 5.221 5.424 7.503
175 1HE LYS 45 1HE LYS 45 4.901 7.871 7.209
176 2HE LYS 45 2HE LYS 45 3.288 7.752 7.927
177 1HZ LYS 45 3HZ LYS 45 4.340 6.994 9.995
178 2HZ LYS 45 1HZ LYS 45 5.830 7.108 9.333
179 3HZ LYS 45 2HZ LYS 45 4.935 8.451 9.568
180 H CYS 46 H CYS 46 5.163 3.573 3.435
181 HA CYS 46 HA CYS 46 5.640 6.095 2.214
182 1HB CYS 46 1HB CYS 46 7.736 4.670 1.372
183 2HB CYS 46 2HB CYS 46 7.560 5.283 3.011
184 H LYS 47 H LYS 47 4.687 3.021 0.785
185 HA LYS 47 HA LYS 47 4.071 2.399 -1.335
186 1HB LYS 47 1HB LYS 47 1.987 3.484 -1.914
187 2HB LYS 47 2HB LYS 47 2.158 3.241 -0.182
188 1HG LYS 47 1HG LYS 47 2.798 5.641 0.086
189 2HG LYS 47 2HG LYS 47 2.545 5.892 -1.643
190 1HD LYS 47 1HD LYS 47 0.201 5.373 -1.439
191 2HD LYS 47 2HD LYS 47 0.388 4.799 0.221
192 1HE LYS 47 1HE LYS 47 1.056 7.657 -0.584
193 2HE LYS 47 2HE LYS 47 -0.580 7.170 -0.114
194 1HZ LYS 47 1HZ LYS 47 1.790 6.790 1.645
195 2HZ LYS 47 2HZ LYS 47 0.702 8.015 1.789
196 3HZ LYS 47 3HZ LYS 47 0.242 6.454 2.014
197 H GLN 48 H GLN 48 6.508 4.062 -1.714
198 HA GLN 48 HA GLN 48 6.152 5.550 -4.142
199 1HB GLN 48 1HB GLN 48 8.663 4.299 -2.961
200 2HB GLN 48 2HB GLN 48 8.646 5.462 -4.278
201 1HG GLN 48 1HG GLN 48 7.807 5.953 -1.397
202 2HG GLN 48 2HG GLN 48 9.215 6.592 -2.222
203 1HE2 GLN 48 2HE2 GLN 48 5.909 7.192 -1.469
204 2HE2 GLN 48 1HE2 GLN 48 5.718 8.605 -2.513
205 HA PRO 49 HA PRO 49 5.620 2.820 -7.375
206 1HB PRO 49 2HB PRO 49 8.043 3.975 -8.772
207 2HB PRO 49 1HB PRO 49 6.413 3.641 -9.442
208 1HG PRO 49 1HG PRO 49 7.059 6.145 -8.677
209 2HG PRO 49 2HG PRO 49 5.462 5.464 -8.220
210 1HD PRO 49 1HD PRO 49 7.949 5.734 -6.534
211 2HD PRO 49 2HD PRO 49 6.240 6.039 -6.113
212 H GLY 50 H GLY 50 8.939 2.491 -6.205
213 1HA GLY 50 2HA GLY 50 10.192 0.585 -7.585
214 2HA GLY 50 1HA GLY 50 8.882 -0.399 -6.929
215 H HIS 51 H HIS 51 9.269 1.593 -4.432
216 HA HIS 51 HA HIS 51 11.791 0.760 -3.288
217 1HB HIS 51 1HB HIS 51 11.180 2.022 -1.439
218 2HB HIS 51 2HB HIS 51 10.389 2.864 -2.757
219 HD1 HIS 51 HD1 HIS 51 7.540 1.832 -2.959
220 HD2 HIS 51 HD2 HIS 51 9.773 1.438 0.596
221 HE1 HIS 51 HE1 HIS 51 5.912 1.107 -1.156
222 H PHE 52 H PHE 52 8.572 -0.662 -3.276
223 HA PHE 52 HA PHE 52 8.660 -1.941 -0.779
224 1HB PHE 52 1HB PHE 52 6.773 -3.310 -1.649
225 2HB PHE 52 2HB PHE 52 6.579 -1.578 -1.805
226 HD1 PHE 52 HD1 PHE 52 6.565 -0.462 -4.008
227 HD2 PHE 52 HD2 PHE 52 6.972 -4.745 -3.654
228 HE1 PHE 52 HE1 PHE 52 6.042 -0.714 -6.414
229 HE2 PHE 52 HE2 PHE 52 6.453 -4.986 -6.068
230 HZ PHE 52 HZ PHE 52 5.991 -2.972 -7.453
231 H SER 53 H SER 53 9.504 -3.361 -3.978
232 HA SER 53 HA SER 53 10.250 -5.924 -3.125
233 1HB SER 53 1HB SER 53 11.490 -4.281 -5.364
234 2HB SER 53 2HB SER 53 11.516 -6.051 -5.213
235 HG SER 53 HG SER 53 9.847 -5.334 -6.613
236 H LYS 54 H LYS 54 11.794 -3.121 -2.106
237 HA LYS 54 HA LYS 54 14.189 -4.610 -1.193
238 1HB LYS 54 1HB LYS 54 15.664 -2.769 -1.829
239 2HB LYS 54 2HB LYS 54 14.855 -3.465 -3.226
240 1HG LYS 54 1HG LYS 54 13.233 -1.543 -3.230
241 2HG LYS 54 2HG LYS 54 14.081 -0.860 -1.836
242 1HD LYS 54 1HD LYS 54 14.930 0.312 -3.717
243 2HD LYS 54 2HD LYS 54 16.186 -0.829 -3.260
244 1HE LYS 54 1HE LYS 54 16.133 -1.037 -5.580
245 2HE LYS 54 2HE LYS 54 15.174 -2.417 -5.052
246 1HZ LYS 54 2HZ LYS 54 13.150 -1.040 -5.523
247 2HZ LYS 54 3HZ LYS 54 14.106 0.176 -6.046
248 3HZ LYS 54 1HZ LYS 54 14.076 -1.235 -6.853
249 H GLN 55 H GLN 55 11.579 -3.409 0.006
250 HA GLN 55 HA GLN 55 12.897 -2.727 2.528
251 1HB GLN 55 1HB GLN 55 12.671 -0.507 1.313
252 2HB GLN 55 2HB GLN 55 10.920 -0.720 1.364
253 1HG GLN 55 1HG GLN 55 11.137 -0.910 3.916
254 2HG GLN 55 2HG GLN 55 12.837 -0.474 3.729
255 1HE2 GLN 55 1HE2 GLN 55 9.505 0.652 3.540
256 2HE2 GLN 55 2HE2 GLN 55 9.887 2.363 3.424
257 H CYS 56 H CYS 56 9.622 -2.579 1.026
258 HA CYS 56 HA CYS 56 8.423 -3.538 3.543
259 1HB CYS 56 1HB CYS 56 7.204 -2.246 1.067
260 2HB CYS 56 2HB CYS 56 6.356 -2.614 2.572
261 H ARG 57 H ARG 57 9.331 -4.972 0.678
262 HA ARG 57 HA ARG 57 7.712 -7.397 1.104
263 1HB ARG 57 1HB ARG 57 6.695 -5.532 -0.575
264 2HB ARG 57 2HB ARG 57 7.849 -6.217 -1.694
265 1HG ARG 57 1HG ARG 57 5.579 -7.161 -1.921
266 2HG ARG 57 2HG ARG 57 6.754 -8.414 -1.533
267 1HD ARG 57 1HD ARG 57 4.555 -8.614 -0.308
268 2HD ARG 57 2HD ARG 57 5.971 -8.601 0.723
269 HE ARG 57 HE ARG 57 5.445 -6.443 1.530
270 1HH1 ARG 57 2HH2 ARG 57 3.024 -7.330 -0.878
271 2HH1 ARG 57 1HH2 ARG 57 2.001 -5.985 -0.387
272 1HH2 ARG 57 2HH1 ARG 57 4.038 -4.826 2.049
273 2HH2 ARG 57 1HH1 ARG 57 2.537 -4.665 1.147
274 H SER 58 H SER 58 10.605 -6.531 1.211
275 HA SER 58 HA SER 58 12.278 -7.514 -0.763
276 1HB SER 58 1HB SER 58 12.704 -7.744 2.235
277 2HB SER 58 2HB SER 58 13.959 -7.752 0.979
278 HG SER 58 HG SER 58 13.646 -5.659 1.943
No H/Q in entry = 278
Start of MODEL 30
1 H1 GLN 22 H2 GLN 22 -7.907 -0.570 -7.205
2 H2 GLN 22 H1 GLN 22 -7.091 0.588 -6.377
3 H3 GLN 22 H3 GLN 22 -6.572 0.112 -7.867
4 HA GLN 22 HA GLN 22 -6.026 -2.069 -7.061
5 1HB GLN 22 1HB GLN 22 -4.812 0.057 -5.234
6 2HB GLN 22 2HB GLN 22 -4.157 -1.543 -5.579
7 1HG GLN 22 1HG GLN 22 -3.874 -0.914 -7.975
8 2HG GLN 22 2HG GLN 22 -4.465 0.710 -7.599
9 1HE2 GLN 22 2HE2 GLN 22 -2.510 1.824 -8.110
10 2HE2 GLN 22 1HE2 GLN 22 -1.058 1.583 -7.147
11 H THR 23 H THR 23 -5.197 -2.658 -4.412
12 HA THR 23 HA THR 23 -7.797 -3.046 -2.968
13 HB THR 23 HB THR 23 -5.461 -4.967 -3.306
14 HG1 THR 23 HG1 THR 23 -6.921 -6.121 -4.556
15 1HG2 THR 23 2HG2 THR 23 -8.168 -5.429 -1.977
16 2HG2 THR 23 3HG2 THR 23 -6.937 -6.666 -2.294
17 3HG2 THR 23 1HG2 THR 23 -6.595 -5.374 -1.144
18 H CYS 24 H CYS 24 -7.706 -2.959 -0.696
19 HA CYS 24 HA CYS 24 -5.871 -1.094 0.374
20 1HB CYS 24 1HB CYS 24 -8.283 -1.656 1.052
21 2HB CYS 24 2HB CYS 24 -7.606 -3.012 1.959
22 H TYR 25 H TYR 25 -4.282 -1.206 1.922
23 HA TYR 25 HA TYR 25 -2.682 -3.607 2.304
24 1HB TYR 25 1HB TYR 25 -1.229 -2.283 3.483
25 2HB TYR 25 2HB TYR 25 -1.882 -1.145 2.321
26 HD1 TYR 25 HD1 TYR 25 -0.855 -1.456 5.606
27 HD2 TYR 25 HD2 TYR 25 -4.233 0.048 3.377
28 HE1 TYR 25 HE1 TYR 25 -1.453 0.039 7.504
29 HE2 TYR 25 HE2 TYR 25 -4.869 1.452 5.302
30 HH TYR 25 HH TYR 25 -2.969 1.566 8.322
31 H ASN 26 H ASN 26 -5.513 -2.394 3.874
32 HA ASN 26 HA ASN 26 -5.065 -4.138 6.283
33 1HB ASN 26 1HB ASN 26 -4.417 -1.839 6.779
34 2HB ASN 26 2HB ASN 26 -5.934 -1.219 6.129
35 1HD2 ASN 26 1HD2 ASN 26 -7.761 -1.174 7.485
36 2HD2 ASN 26 2HD2 ASN 26 -7.704 -1.763 9.137
37 H CYS 27 H CYS 27 -7.589 -2.266 4.485
38 HA CYS 27 HA CYS 27 -9.790 -3.469 5.837
39 1HB CYS 27 1HB CYS 27 -9.710 -2.126 3.098
40 2HB CYS 27 2HB CYS 27 -11.124 -2.342 4.132
41 H GLY 28 H GLY 28 -7.850 -4.621 3.192
42 1HA GLY 28 2HA GLY 28 -9.258 -7.108 2.805
43 2HA GLY 28 1HA GLY 28 -7.924 -6.478 1.836
44 H LYS 29 H LYS 29 -10.192 -4.073 1.728
45 HA LYS 29 HA LYS 29 -12.057 -5.168 -0.256
46 1HB LYS 29 1HB LYS 29 -11.679 -2.548 1.203
47 2HB LYS 29 2HB LYS 29 -12.496 -2.497 -0.343
48 1HG LYS 29 1HG LYS 29 -14.137 -2.578 1.322
49 2HG LYS 29 2HG LYS 29 -14.209 -4.085 0.421
50 1HD LYS 29 1HD LYS 29 -12.705 -3.882 3.057
51 2HD LYS 29 2HD LYS 29 -14.458 -4.077 3.020
52 1HE LYS 29 1HE LYS 29 -14.299 -6.162 1.780
53 2HE LYS 29 2HE LYS 29 -12.545 -6.000 1.645
54 1HZ LYS 29 3HZ LYS 29 -14.006 -6.291 4.211
55 2HZ LYS 29 1HZ LYS 29 -13.151 -7.473 3.476
56 3HZ LYS 29 2HZ LYS 29 -12.380 -6.145 4.048
57 HA PRO 30 HA PRO 30 -9.870 -3.468 -3.909
58 1HB PRO 30 2HB PRO 30 -11.874 -3.572 -5.723
59 2HB PRO 30 1HB PRO 30 -11.139 -5.063 -5.071
60 1HG PRO 30 1HG PRO 30 -13.688 -3.696 -4.142
61 2HG PRO 30 2HG PRO 30 -13.458 -5.418 -4.585
62 1HD PRO 30 1HD PRO 30 -13.335 -4.502 -2.000
63 2HD PRO 30 2HD PRO 30 -12.353 -5.885 -2.572
64 H GLY 31 H GLY 31 -10.974 -1.648 -5.644
65 1HA GLY 31 2HA GLY 31 -12.663 0.379 -4.570
66 2HA GLY 31 1HA GLY 31 -11.532 0.576 -5.916
67 H HIS 32 H HIS 32 -9.200 -0.136 -4.240
68 HA HIS 32 HA HIS 32 -9.034 2.164 -2.350
69 1HB HIS 32 1HB HIS 32 -8.200 -0.698 -2.215
70 2HB HIS 32 2HB HIS 32 -7.081 0.472 -1.531
71 HD1 HIS 32 HD1 HIS 32 -10.801 -0.553 -1.065
72 HD2 HIS 32 HD2 HIS 32 -7.595 1.416 0.808
73 HE1 HIS 32 HE1 HIS 32 -11.545 -0.076 1.342
74 H LEU 33 H LEU 33 -7.168 3.261 -2.093
75 HA LEU 33 HA LEU 33 -5.024 3.317 -4.094
76 1HB LEU 33 1HB LEU 33 -7.193 5.468 -3.808
77 2HB LEU 33 2HB LEU 33 -5.660 5.755 -4.613
78 HG LEU 33 HG LEU 33 -7.769 3.788 -5.579
79 1HD1 LEU 33 2HD1 LEU 33 -8.456 6.138 -5.774
80 2HD1 LEU 33 3HD1 LEU 33 -6.937 6.525 -6.612
81 3HD1 LEU 33 1HD1 LEU 33 -8.120 5.429 -7.362
82 1HD2 LEU 33 1HD2 LEU 33 -5.162 4.741 -6.856
83 2HD2 LEU 33 2HD2 LEU 33 -5.490 3.095 -6.275
84 3HD2 LEU 33 3HD2 LEU 33 -6.397 3.739 -7.648
85 H SER 34 H SER 34 -3.608 5.224 -3.599
86 HA SER 34 HA SER 34 -2.691 5.540 -0.992
87 1HB SER 34 1HB SER 34 -2.527 7.534 -3.283
88 2HB SER 34 2HB SER 34 -1.386 7.371 -1.938
89 HG SER 34 HG SER 34 -0.716 6.310 -3.915
90 H SER 35 H SER 35 -5.593 6.888 -2.132
91 HA SER 35 HA SER 35 -5.697 8.959 0.020
92 1HB SER 35 1HB SER 35 -7.366 10.074 -1.436
93 2HB SER 35 2HB SER 35 -5.771 9.937 -2.198
94 HG SER 35 HG SER 35 -7.490 9.321 -3.618
95 H GLN 36 H GLN 36 -7.055 5.956 -1.008
96 HA GLN 36 HA GLN 36 -9.620 6.288 0.416
97 1HB GLN 36 1HB GLN 36 -9.200 4.805 -1.664
98 2HB GLN 36 2HB GLN 36 -8.327 3.725 -0.576
99 1HG GLN 36 1HG GLN 36 -10.503 2.820 -0.732
100 2HG GLN 36 2HG GLN 36 -10.491 3.616 0.832
101 1HE2 GLN 36 2HE2 GLN 36 -11.870 3.577 -2.416
102 2HE2 GLN 36 1HE2 GLN 36 -13.047 4.855 -2.111
103 H CYS 37 H CYS 37 -6.424 4.871 0.896
104 HA CYS 37 HA CYS 37 -6.720 4.880 3.816
105 1HB CYS 37 1HB CYS 37 -6.298 2.440 2.106
106 2HB CYS 37 2HB CYS 37 -5.317 2.565 3.541
107 H ARG 38 H ARG 38 -4.439 4.303 4.765
108 HA ARG 38 HA ARG 38 -2.556 6.291 4.010
109 1HB ARG 38 1HB ARG 38 -2.267 3.755 5.685
110 2HB ARG 38 2HB ARG 38 -0.923 4.827 5.352
111 1HG ARG 38 1HG ARG 38 -1.472 5.744 7.281
112 2HG ARG 38 2HG ARG 38 -2.533 6.730 6.294
113 1HD ARG 38 1HD ARG 38 -3.444 4.180 7.705
114 2HD ARG 38 2HD ARG 38 -3.387 5.728 8.515
115 HE ARG 38 HE ARG 38 -5.037 6.633 7.002
116 1HH1 ARG 38 2HH1 ARG 38 -4.927 3.102 7.027
117 2HH1 ARG 38 1HH1 ARG 38 -6.511 3.009 6.282
118 1HH2 ARG 38 1HH2 ARG 38 -7.130 6.359 6.320
119 2HH2 ARG 38 2HH2 ARG 38 -7.723 4.758 5.987
120 H ALA 39 H ALA 39 -2.785 2.964 2.859
121 HA ALA 39 HA ALA 39 -1.414 3.738 0.443
122 1HB ALA 39 2HB ALA 39 0.560 3.139 1.859
123 2HB ALA 39 3HB ALA 39 -0.185 1.559 2.202
124 3HB ALA 39 1HB ALA 39 0.337 1.956 0.558
125 HA PRO 40 HA PRO 40 -3.756 -0.039 -0.856
126 1HB PRO 40 2HB PRO 40 -2.624 -0.567 -3.260
127 2HB PRO 40 1HB PRO 40 -3.711 0.833 -3.023
128 1HG PRO 40 1HG PRO 40 -0.678 0.812 -3.013
129 2HG PRO 40 2HG PRO 40 -1.772 1.924 -3.894
130 1HD PRO 40 1HD PRO 40 -0.629 2.533 -1.465
131 2HD PRO 40 2HD PRO 40 -2.231 3.153 -1.955
132 H LYS 41 H LYS 41 -3.098 -2.304 -1.408
133 HA LYS 41 HA LYS 41 -1.502 -3.474 0.513
134 1HB LYS 41 1HB LYS 41 -3.351 -4.465 -0.875
135 2HB LYS 41 2HB LYS 41 -2.206 -4.669 -2.199
136 1HG LYS 41 1HG LYS 41 -0.888 -6.244 -0.861
137 2HG LYS 41 2HG LYS 41 -1.889 -5.910 0.570
138 1HD LYS 41 1HD LYS 41 -3.859 -6.884 -0.560
139 2HD LYS 41 2HD LYS 41 -2.928 -7.085 -2.047
140 1HE LYS 41 1HE LYS 41 -3.058 -9.227 -0.999
141 2HE LYS 41 2HE LYS 41 -1.392 -8.663 -0.887
142 1HZ LYS 41 2HZ LYS 41 -3.392 -8.525 1.315
143 2HZ LYS 41 3HZ LYS 41 -2.187 -9.618 1.211
144 3HZ LYS 41 1HZ LYS 41 -1.831 -8.044 1.434
145 H VAL 42 H VAL 42 -0.242 -2.178 -2.404
146 HA VAL 42 HA VAL 42 2.249 -3.489 -2.726
147 HB VAL 42 HB VAL 42 1.578 -0.532 -3.033
148 1HG1 VAL 42 1HG1 VAL 42 3.801 -2.193 -4.284
149 2HG1 VAL 42 2HG1 VAL 42 3.385 -0.530 -4.746
150 3HG1 VAL 42 3HG1 VAL 42 4.008 -0.854 -3.131
151 1HG2 VAL 42 2HG2 VAL 42 1.425 -2.818 -5.051
152 2HG2 VAL 42 3HG2 VAL 42 0.047 -1.907 -4.392
153 3HG2 VAL 42 1HG2 VAL 42 1.211 -1.096 -5.429
154 H CYS 43 H CYS 43 1.223 -1.189 -0.242
155 HA CYS 43 HA CYS 43 3.750 -1.492 1.260
156 1HB CYS 43 1HB CYS 43 3.939 0.385 -0.443
157 2HB CYS 43 2HB CYS 43 2.645 1.223 0.420
158 H PHE 44 H PHE 44 3.190 0.594 2.992
159 HA PHE 44 HA PHE 44 0.468 0.320 4.126
160 1HB PHE 44 1HB PHE 44 1.207 -0.164 6.328
161 2HB PHE 44 2HB PHE 44 1.949 -1.356 5.276
162 HD1 PHE 44 HD1 PHE 44 2.511 1.278 7.710
163 HD2 PHE 44 HD2 PHE 44 4.437 -1.054 4.633
164 HE1 PHE 44 HE1 PHE 44 4.733 1.926 8.607
165 HE2 PHE 44 HE2 PHE 44 6.655 -0.399 5.531
166 HZ PHE 44 HZ PHE 44 6.809 1.095 7.512
167 H LYS 45 H LYS 45 3.292 2.269 3.512
168 HA LYS 45 HA LYS 45 1.964 4.688 4.576
169 1HB LYS 45 1HB LYS 45 3.118 3.682 6.532
170 2HB LYS 45 2HB LYS 45 4.637 3.665 5.649
171 1HG LYS 45 1HG LYS 45 4.603 5.476 7.234
172 2HG LYS 45 2HG LYS 45 4.642 6.147 5.603
173 1HD LYS 45 1HD LYS 45 2.261 6.728 5.728
174 2HD LYS 45 2HD LYS 45 2.081 5.809 7.228
175 1HE LYS 45 1HE LYS 45 2.147 8.131 7.806
176 2HE LYS 45 2HE LYS 45 3.625 7.365 8.388
177 1HZ LYS 45 2HZ LYS 45 3.411 8.997 5.907
178 2HZ LYS 45 3HZ LYS 45 4.071 9.499 7.311
179 3HZ LYS 45 1HZ LYS 45 4.792 8.311 6.463
180 H CYS 46 H CYS 46 5.235 3.650 3.419
181 HA CYS 46 HA CYS 46 5.736 6.246 2.310
182 1HB CYS 46 1HB CYS 46 7.907 5.025 1.606
183 2HB CYS 46 2HB CYS 46 7.554 5.282 3.314
184 H LYS 47 H LYS 47 4.787 3.203 0.830
185 HA LYS 47 HA LYS 47 4.160 2.632 -1.303
186 1HB LYS 47 1HB LYS 47 2.132 3.853 -1.893
187 2HB LYS 47 2HB LYS 47 2.261 3.516 -0.173
188 1HG LYS 47 1HG LYS 47 2.958 5.832 0.275
189 2HG LYS 47 2HG LYS 47 2.891 6.215 -1.449
190 1HD LYS 47 1HD LYS 47 0.526 5.898 -1.509
191 2HD LYS 47 2HD LYS 47 0.479 5.173 0.101
192 1HE LYS 47 1HE LYS 47 1.427 8.028 -0.398
193 2HE LYS 47 2HE LYS 47 -0.268 7.627 -0.093
194 1HZ LYS 47 2HZ LYS 47 1.934 6.976 1.802
195 2HZ LYS 47 3HZ LYS 47 0.886 8.232 1.961
196 3HZ LYS 47 1HZ LYS 47 0.345 6.685 2.025
197 H GLN 48 H GLN 48 6.666 4.154 -1.659
198 HA GLN 48 HA GLN 48 6.403 5.716 -4.059
199 1HB GLN 48 1HB GLN 48 8.827 4.271 -2.917
200 2HB GLN 48 2HB GLN 48 8.883 5.466 -4.205
201 1HG GLN 48 1HG GLN 48 8.073 5.941 -1.311
202 2HG GLN 48 2HG GLN 48 9.531 6.494 -2.112
203 1HE2 GLN 48 2HE2 GLN 48 6.280 7.328 -1.350
204 2HE2 GLN 48 1HE2 GLN 48 6.204 8.777 -2.359
205 HA PRO 49 HA PRO 49 5.650 3.103 -7.324
206 1HB PRO 49 2HB PRO 49 8.175 4.023 -8.716
207 2HB PRO 49 1HB PRO 49 6.520 3.854 -9.386
208 1HG PRO 49 1HG PRO 49 7.404 6.280 -8.604
209 2HG PRO 49 2HG PRO 49 5.749 5.751 -8.149
210 1HD PRO 49 1HD PRO 49 8.253 5.768 -6.465
211 2HD PRO 49 2HD PRO 49 6.582 6.233 -6.034
212 H GLY 50 H GLY 50 8.970 2.480 -6.236
213 1HA GLY 50 2HA GLY 50 10.029 0.488 -7.593
214 2HA GLY 50 1HA GLY 50 8.640 -0.400 -6.973
215 H HIS 51 H HIS 51 9.397 1.643 -4.490
216 HA HIS 51 HA HIS 51 11.793 0.608 -3.387
217 1HB HIS 51 1HB HIS 51 11.241 1.845 -1.476
218 2HB HIS 51 2HB HIS 51 10.497 2.748 -2.783
219 HD1 HIS 51 HD1 HIS 51 7.607 1.861 -3.031
220 HD2 HIS 51 HD2 HIS 51 9.781 1.242 0.529
221 HE1 HIS 51 HE1 HIS 51 5.927 1.159 -1.271
222 H PHE 52 H PHE 52 8.554 -0.740 -3.291
223 HA PHE 52 HA PHE 52 8.622 -1.996 -0.798
224 1HB PHE 52 1HB PHE 52 6.737 -3.363 -1.654
225 2HB PHE 52 2HB PHE 52 6.562 -1.638 -1.889
226 HD1 PHE 52 HD1 PHE 52 6.608 -0.619 -4.143
227 HD2 PHE 52 HD2 PHE 52 6.974 -4.886 -3.591
228 HE1 PHE 52 HE1 PHE 52 6.138 -0.978 -6.549
229 HE2 PHE 52 HE2 PHE 52 6.506 -5.233 -6.001
230 HZ PHE 52 HZ PHE 52 6.090 -3.280 -7.486
231 H SER 53 H SER 53 9.614 -3.409 -3.944
232 HA SER 53 HA SER 53 10.260 -5.997 -3.094
233 1HB SER 53 1HB SER 53 11.646 -4.328 -5.226
234 2HB SER 53 2HB SER 53 11.671 -6.098 -5.097
235 HG SER 53 HG SER 53 10.081 -5.364 -6.582
236 H LYS 54 H LYS 54 11.867 -3.193 -2.027
237 HA LYS 54 HA LYS 54 14.152 -4.804 -0.978
238 1HB LYS 54 1HB LYS 54 15.658 -2.934 -1.342
239 2HB LYS 54 2HB LYS 54 14.987 -3.526 -2.854
240 1HG LYS 54 1HG LYS 54 13.477 -1.660 -3.046
241 2HG LYS 54 2HG LYS 54 13.849 -1.087 -1.414
242 1HD LYS 54 1HD LYS 54 15.909 -1.235 -3.652
243 2HD LYS 54 2HD LYS 54 14.919 0.194 -3.311
244 1HE LYS 54 1HE LYS 54 15.797 0.272 -0.992
245 2HE LYS 54 2HE LYS 54 16.813 -1.136 -1.319
246 1HZ LYS 54 3HZ LYS 54 17.024 1.473 -2.729
247 2HZ LYS 54 1HZ LYS 54 18.048 0.941 -1.579
248 3HZ LYS 54 2HZ LYS 54 17.971 0.172 -3.015
249 H GLN 55 H GLN 55 11.450 -3.526 0.120
250 HA GLN 55 HA GLN 55 12.645 -2.936 2.753
251 1HB GLN 55 1HB GLN 55 12.601 -0.741 1.441
252 2HB GLN 55 2HB GLN 55 10.840 -0.858 1.455
253 1HG GLN 55 1HG GLN 55 10.999 -0.983 4.021
254 2HG GLN 55 2HG GLN 55 12.719 -0.631 3.852
255 1HE2 GLN 55 1HE2 GLN 55 9.441 0.624 3.494
256 2HE2 GLN 55 2HE2 GLN 55 9.895 2.314 3.353
257 H CYS 56 H CYS 56 9.519 -2.866 0.965
258 HA CYS 56 HA CYS 56 8.093 -3.608 3.467
259 1HB CYS 56 1HB CYS 56 7.112 -2.208 0.947
260 2HB CYS 56 2HB CYS 56 6.169 -2.513 2.407
261 H ARG 57 H ARG 57 9.042 -5.071 0.621
262 HA ARG 57 HA ARG 57 7.312 -7.417 1.044
263 1HB ARG 57 1HB ARG 57 6.437 -5.585 -0.747
264 2HB ARG 57 2HB ARG 57 7.621 -6.349 -1.782
265 1HG ARG 57 1HG ARG 57 5.319 -7.213 -2.076
266 2HG ARG 57 2HG ARG 57 6.439 -8.490 -1.622
267 1HD ARG 57 1HD ARG 57 4.185 -8.585 -0.473
268 2HD ARG 57 2HD ARG 57 5.570 -8.620 0.599
269 HE ARG 57 HE ARG 57 5.121 -6.428 1.362
270 1HH1 ARG 57 2HH1 ARG 57 2.722 -7.237 -1.092
271 2HH1 ARG 57 1HH1 ARG 57 1.753 -5.836 -0.646
272 1HH2 ARG 57 2HH2 ARG 57 3.795 -4.741 1.817
273 2HH2 ARG 57 1HH2 ARG 57 2.316 -4.524 0.889
274 H SER 58 H SER 58 10.296 -6.500 1.040
275 HA SER 58 HA SER 58 11.759 -8.133 -0.815
276 1HB SER 58 1HB SER 58 13.607 -7.774 0.924
277 2HB SER 58 2HB SER 58 12.944 -6.358 0.100
278 HG SER 58 HG SER 58 13.165 -6.217 2.493
No H/Q in entry = 278