Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
20828 | 2gl1 RC | 7092 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LYS 1 1HT LYS 1 1.595 10.172 14.460
2 2H LYS 1 2HT LYS 1 2.312 8.691 13.979
3 3H LYS 1 3HT LYS 1 0.640 8.822 14.113
4 HA LYS 1 HA LYS 1 0.482 10.331 12.332
5 1HB LYS 1 2HB LYS 1 2.460 10.807 10.917
6 2HB LYS 1 1HB LYS 1 2.579 11.457 12.530
7 1HG LYS 1 2HG LYS 1 4.215 9.898 13.167
8 2HG LYS 1 1HG LYS 1 3.867 8.850 11.792
9 1HD LYS 1 2HD LYS 1 5.970 10.064 11.457
10 2HD LYS 1 1HD LYS 1 4.765 10.548 10.271
11 1HE LYS 1 2HE LYS 1 4.272 12.544 11.622
12 2HE LYS 1 1HE LYS 1 5.530 12.057 12.764
13 1HZ LYS 1 1HZ LYS 1 7.148 12.258 10.971
14 2HZ LYS 1 2HZ LYS 1 6.332 13.698 11.221
15 3HZ LYS 1 3HZ LYS 1 5.928 12.723 9.904
16 H THR 2 H THR 2 1.456 9.655 9.997
17 HA THR 2 HA THR 2 1.022 6.776 9.892
18 HB THR 2 HB THR 2 0.293 7.210 7.537
19 HG1 THR 2 1HG THR 2 0.574 9.188 6.839
20 1HG2 THR 2 1HG2 THR 2 -1.332 8.526 9.731
21 2HG2 THR 2 2HG2 THR 2 -1.342 6.812 9.322
22 3HG2 THR 2 3HG2 THR 2 -1.969 7.997 8.174
23 H CYS 3 H CYS 3 2.457 5.582 8.925
24 HA CYS 3 HA CYS 3 4.710 6.825 7.535
25 1HB CYS 3 2HB CYS 3 4.597 4.325 9.275
26 2HB CYS 3 1HB CYS 3 5.986 4.794 8.301
27 H GLU 4 H GLU 4 5.314 5.650 5.544
28 HA GLU 4 HA GLU 4 3.261 3.751 4.717
29 1HB GLU 4 2HB GLU 4 2.708 6.172 4.193
30 2HB GLU 4 1HB GLU 4 4.078 6.146 3.136
31 1HG GLU 4 2HG GLU 4 3.098 4.701 1.659
32 2HG GLU 4 1HG GLU 4 1.857 4.200 2.826
33 H ASN 5 H ASN 5 4.051 2.179 3.450
34 HA ASN 5 HA ASN 5 6.622 2.436 2.064
35 1HB ASN 5 2HB ASN 5 6.954 1.571 4.542
36 2HB ASN 5 1HB ASN 5 6.118 0.145 3.927
37 1HD2 ASN 5 1HD2 ASN 5 9.026 2.009 3.763
38 2HD2 ASN 5 2HD2 ASN 5 9.987 0.820 2.966
39 H LEU 6 H LEU 6 6.982 0.428 0.797
40 HA LEU 6 HA LEU 6 4.799 0.143 -0.894
41 1HB LEU 6 2HB LEU 6 7.452 -1.042 -0.534
42 2HB LEU 6 1HB LEU 6 6.363 -1.650 -1.747
43 HG LEU 6 HG LEU 6 7.453 1.174 -1.603
44 1HD1 LEU 6 1HD1 LEU 6 8.130 -1.121 -3.449
45 2HD1 LEU 6 2HD1 LEU 6 9.166 -0.491 -2.173
46 3HD1 LEU 6 3HD1 LEU 6 8.764 0.519 -3.564
47 1HD2 LEU 6 1HD2 LEU 6 5.254 1.077 -2.655
48 2HD2 LEU 6 2HD2 LEU 6 5.811 -0.224 -3.706
49 3HD2 LEU 6 3HD2 LEU 6 6.510 1.385 -3.852
50 H ALA 7 H ALA 7 3.471 -1.567 -1.231
51 HA ALA 7 HA ALA 7 2.989 -3.452 0.812
52 1HB ALA 7 1HB ALA 7 1.256 -2.730 -0.726
53 2HB ALA 7 2HB ALA 7 1.494 -4.475 -0.863
54 3HB ALA 7 3HB ALA 7 2.162 -3.391 -2.084
55 H ASN 8 H ASN 8 3.861 -5.372 1.098
56 HA ASN 8 HA ASN 8 6.334 -5.916 -0.258
57 1HB ASN 8 2HB ASN 8 4.959 -7.514 1.910
58 2HB ASN 8 1HB ASN 8 6.597 -7.771 1.323
59 1HD2 ASN 8 1HD2 ASN 8 4.497 -5.791 3.215
60 2HD2 ASN 8 2HD2 ASN 8 5.746 -4.839 3.949
61 H THR 9 H THR 9 3.218 -7.480 0.059
62 HA THR 9 HA THR 9 4.141 -9.562 -1.722
63 HB THR 9 HB THR 9 1.846 -10.561 -1.065
64 HG1 THR 9 1HG THR 9 2.020 -9.300 1.348
65 1HG2 THR 9 1HG2 THR 9 4.047 -10.219 0.972
66 2HG2 THR 9 2HG2 THR 9 4.030 -11.402 -0.328
67 3HG2 THR 9 3HG2 THR 9 2.832 -11.496 0.964
68 H TYR 10 H TYR 10 3.256 -6.766 -2.479
69 HA TYR 10 HA TYR 10 1.219 -7.591 -4.425
70 1HB TYR 10 2HB TYR 10 0.648 -5.581 -3.060
71 2HB TYR 10 1HB TYR 10 2.058 -4.757 -3.716
72 HD1 TYR 10 1HD TYR 10 2.017 -3.890 -6.000
73 HD2 TYR 10 2HD TYR 10 -1.331 -5.985 -4.418
74 HE1 TYR 10 1HE TYR 10 0.635 -3.076 -7.860
75 HE2 TYR 10 2HE TYR 10 -2.720 -5.173 -6.284
76 HH TYR 10 HH TYR 10 -1.353 -3.694 -9.033
77 H ARG 11 H ARG 11 2.308 -8.495 -5.963
78 HA ARG 11 HA ARG 11 4.679 -7.156 -7.015
79 1HB ARG 11 2HB ARG 11 4.965 -9.500 -6.354
80 2HB ARG 11 1HB ARG 11 3.685 -9.977 -7.456
81 1HG ARG 11 2HG ARG 11 5.904 -10.471 -8.365
82 2HG ARG 11 1HG ARG 11 5.040 -9.297 -9.358
83 1HD ARG 11 2HD ARG 11 7.410 -8.700 -9.038
84 2HD ARG 11 1HD ARG 11 6.317 -7.481 -8.390
85 HE ARG 11 HE ARG 11 7.144 -9.409 -6.456
86 1HH1 ARG 11 1HH1 ARG 11 8.122 -6.403 -8.070
87 2HH1 ARG 11 2HH1 ARG 11 9.136 -5.876 -6.817
88 1HH2 ARG 11 1HH2 ARG 11 8.516 -8.681 -4.703
89 2HH2 ARG 11 2HH2 ARG 11 9.373 -7.227 -4.819
90 H GLY 12 H GLY 12 4.137 -5.747 -8.512
91 1HA GLY 12 2HA GLY 12 3.672 -5.999 -11.014
92 2HA GLY 12 1HA GLY 12 2.051 -6.393 -10.439
93 HA PRO 13 HA PRO 13 2.551 -1.717 -10.534
94 1HB PRO 13 2HB PRO 13 0.794 -1.697 -12.877
95 2HB PRO 13 1HB PRO 13 2.369 -0.926 -12.665
96 1HG PRO 13 2HG PRO 13 2.038 -3.014 -14.315
97 2HG PRO 13 1HG PRO 13 3.524 -2.763 -13.371
98 1HD PRO 13 2HD PRO 13 1.209 -4.595 -12.776
99 2HD PRO 13 1HD PRO 13 2.954 -4.939 -12.714
100 H CYS 14 H CYS 14 0.909 -0.336 -9.893
101 HA CYS 14 HA CYS 14 -1.626 -1.619 -9.223
102 1HB CYS 14 2HB CYS 14 -0.364 -0.910 -7.285
103 2HB CYS 14 1HB CYS 14 -0.126 0.689 -7.982
104 H PHE 15 H PHE 15 -3.507 -0.595 -9.826
105 HA PHE 15 HA PHE 15 -3.148 1.801 -11.480
106 1HB PHE 15 2HB PHE 15 -5.119 -0.435 -11.982
107 2HB PHE 15 1HB PHE 15 -4.867 0.992 -12.982
108 HD1 PHE 15 1HD PHE 15 -3.886 -2.366 -12.365
109 HD2 PHE 15 2HD PHE 15 -2.542 1.315 -14.010
110 HE1 PHE 15 1HE PHE 15 -2.127 -3.558 -13.595
111 HE2 PHE 15 2HE PHE 15 -0.787 0.123 -15.248
112 HZ PHE 15 HZ PHE 15 -0.577 -2.313 -15.039
113 H THR 16 H THR 16 -4.900 0.359 -8.869
114 HA THR 16 HA THR 16 -6.526 2.776 -8.634
115 HB THR 16 HB THR 16 -7.720 -0.011 -8.431
116 HG1 THR 16 1HG THR 16 -7.314 1.674 -10.563
117 1HG2 THR 16 1HG2 THR 16 -9.015 2.721 -8.516
118 2HG2 THR 16 2HG2 THR 16 -8.835 1.711 -7.081
119 3HG2 THR 16 3HG2 THR 16 -9.860 1.171 -8.409
120 H THR 17 H THR 17 -6.837 3.392 -6.491
121 HA THR 17 HA THR 17 -5.213 2.294 -4.502
122 HB THR 17 HB THR 17 -7.425 4.324 -4.434
123 HG1 THR 17 1HG THR 17 -5.754 5.346 -5.212
124 1HG2 THR 17 1HG2 THR 17 -6.667 4.917 -2.123
125 2HG2 THR 17 2HG2 THR 17 -5.685 3.445 -2.102
126 3HG2 THR 17 3HG2 THR 17 -7.432 3.336 -2.219
127 H GLY 18 H GLY 18 -8.662 1.783 -5.156
128 1HA GLY 18 2HA GLY 18 -9.356 0.391 -2.860
129 2HA GLY 18 1HA GLY 18 -10.060 0.119 -4.445
130 H SER 19 H SER 19 -7.439 -0.715 -5.584
131 HA SER 19 HA SER 19 -7.640 -3.508 -4.990
132 1HB SER 19 2HB SER 19 -5.542 -2.045 -6.608
133 2HB SER 19 1HB SER 19 -5.990 -3.747 -6.727
134 HG SER 19 HG SER 19 -7.917 -3.196 -7.586
135 H CYS 20 H CYS 20 -5.365 -0.892 -4.486
136 HA CYS 20 HA CYS 20 -3.309 -2.391 -3.256
137 1HB CYS 20 2HB CYS 20 -2.918 -0.149 -4.335
138 2HB CYS 20 1HB CYS 20 -3.931 0.554 -3.134
139 H ASP 21 H ASP 21 -5.926 -0.350 -1.996
140 HA ASP 21 HA ASP 21 -5.174 -0.483 0.698
141 1HB ASP 21 2HB ASP 21 -6.654 1.233 -0.169
142 2HB ASP 21 1HB ASP 21 -7.928 0.028 -0.442
143 H ASP 22 H ASP 22 -7.358 -2.520 -1.196
144 HA ASP 22 HA ASP 22 -8.255 -4.053 1.020
145 1HB ASP 22 2HB ASP 22 -9.366 -4.215 -1.206
146 2HB ASP 22 1HB ASP 22 -7.941 -5.043 -1.828
147 H HIS 23 H HIS 23 -5.589 -4.361 -1.163
148 HA HIS 23 HA HIS 23 -4.561 -6.758 -0.198
149 1HB HIS 23 2HB HIS 23 -3.749 -5.876 -2.282
150 2HB HIS 23 1HB HIS 23 -3.200 -4.395 -1.506
151 HD1 HIS 23 1HD HIS 23 -2.325 -8.015 -1.884
152 HD2 HIS 23 2HD HIS 23 -0.722 -4.541 -0.301
153 HE1 HIS 23 1HE HIS 23 -0.023 -8.609 -1.202
154 HE2 HIS 23 2HE HIS 23 0.813 -6.524 0.013
155 H CYS 24 H CYS 24 -3.807 -3.439 0.761
156 HA CYS 24 HA CYS 24 -1.932 -4.256 2.676
157 1HB CYS 24 2HB CYS 24 -3.376 -1.632 2.351
158 2HB CYS 24 1HB CYS 24 -2.019 -1.891 3.446
159 H LYS 25 H LYS 25 -5.472 -3.543 2.978
160 HA LYS 25 HA LYS 25 -5.432 -3.705 5.795
161 1HB LYS 25 2HB LYS 25 -7.431 -3.589 3.621
162 2HB LYS 25 1HB LYS 25 -7.939 -4.088 5.206
163 1HG LYS 25 2HG LYS 25 -7.109 -1.914 6.093
164 2HG LYS 25 1HG LYS 25 -6.683 -1.453 4.437
165 1HD LYS 25 2HD LYS 25 -8.987 -1.631 3.743
166 2HD LYS 25 1HD LYS 25 -9.456 -2.254 5.321
167 1HE LYS 25 2HE LYS 25 -10.063 0.103 5.042
168 2HE LYS 25 1HE LYS 25 -8.896 -0.134 6.341
169 1HZ LYS 25 1HZ LYS 25 -8.115 0.691 3.599
170 2HZ LYS 25 2HZ LYS 25 -7.194 0.749 5.040
171 3HZ LYS 25 3HZ LYS 25 -8.497 1.777 4.823
172 H ASN 26 H ASN 26 -6.693 -5.794 3.227
173 HA ASN 26 HA ASN 26 -7.538 -7.823 4.997
174 1HB ASN 26 2HB ASN 26 -8.847 -7.413 3.097
175 2HB ASN 26 1HB ASN 26 -7.462 -7.420 2.033
176 1HD2 ASN 26 1HD2 ASN 26 -8.413 -8.760 0.669
177 2HD2 ASN 26 2HD2 ASN 26 -8.646 -10.446 0.953
178 H LYS 27 H LYS 27 -4.773 -7.555 2.724
179 HA LYS 27 HA LYS 27 -4.004 -10.223 3.589
180 1HB LYS 27 2HB LYS 27 -3.895 -9.788 1.124
181 2HB LYS 27 1HB LYS 27 -2.728 -8.525 1.445
182 1HG LYS 27 2HG LYS 27 -1.089 -10.069 2.155
183 2HG LYS 27 1HG LYS 27 -2.248 -11.393 2.195
184 1HD LYS 27 2HD LYS 27 -2.507 -11.261 -0.221
185 2HD LYS 27 1HD LYS 27 -1.402 -9.889 -0.275
186 1HE LYS 27 2HE LYS 27 -0.268 -11.947 -0.934
187 2HE LYS 27 1HE LYS 27 0.405 -11.304 0.559
188 1HZ LYS 27 1HZ LYS 27 -0.787 -12.983 1.804
189 2HZ LYS 27 2HZ LYS 27 0.104 -13.712 0.581
190 3HZ LYS 27 3HZ LYS 27 -1.554 -13.536 0.399
191 H GLU 28 H GLU 28 -2.586 -6.949 3.568
192 HA GLU 28 HA GLU 28 -0.423 -8.100 5.115
193 1HB GLU 28 2HB GLU 28 -0.580 -5.356 3.899
194 2HB GLU 28 1HB GLU 28 0.810 -5.967 4.792
195 1HG GLU 28 2HG GLU 28 0.563 -7.972 3.109
196 2HG GLU 28 1HG GLU 28 -0.278 -6.793 2.158
197 H HIS 29 H HIS 29 -3.224 -6.657 5.774
198 HA HIS 29 HA HIS 29 -4.236 -5.823 7.525
199 1HB HIS 29 2HB HIS 29 -2.260 -7.606 8.905
200 2HB HIS 29 1HB HIS 29 -3.477 -6.715 9.817
201 HD1 HIS 29 1HD HIS 29 -5.903 -7.461 9.579
202 HD2 HIS 29 2HD HIS 29 -3.251 -9.680 7.298
203 HE1 HIS 29 1HE HIS 29 -7.223 -9.436 8.745
204 HE2 HIS 29 2HE HIS 29 -5.649 -10.586 7.146
205 H LEU 30 H LEU 30 -2.741 -3.957 6.517
206 HA LEU 30 HA LEU 30 -1.814 -2.477 8.864
207 1HB LEU 30 2HB LEU 30 -1.179 -2.036 5.946
208 2HB LEU 30 1HB LEU 30 -0.646 -0.989 7.244
209 HG LEU 30 HG LEU 30 0.161 -3.878 6.884
210 1HD1 LEU 30 1HD1 LEU 30 1.730 -1.335 6.507
211 2HD1 LEU 30 2HD1 LEU 30 1.202 -2.444 5.238
212 3HD1 LEU 30 3HD1 LEU 30 2.383 -2.972 6.433
213 1HD2 LEU 30 1HD2 LEU 30 1.750 -3.430 8.720
214 2HD2 LEU 30 2HD2 LEU 30 0.074 -3.318 9.236
215 3HD2 LEU 30 3HD2 LEU 30 1.006 -1.847 8.958
216 H ARG 31 H ARG 31 -2.062 0.097 7.886
217 HA ARG 31 HA ARG 31 -4.727 0.633 8.685
218 1HB ARG 31 2HB ARG 31 -2.604 2.134 8.873
219 2HB ARG 31 1HB ARG 31 -2.918 2.518 7.248
220 1HG ARG 31 2HG ARG 31 -5.210 3.287 7.815
221 2HG ARG 31 1HG ARG 31 -4.771 3.110 9.518
222 1HD ARG 31 2HD ARG 31 -2.887 4.642 9.171
223 2HD ARG 31 1HD ARG 31 -3.369 4.836 7.488
224 HE ARG 31 HE ARG 31 -4.678 5.924 9.842
225 1HH1 ARG 31 1HH1 ARG 31 -5.008 5.365 6.338
226 2HH1 ARG 31 2HH1 ARG 31 -5.899 6.783 6.090
227 1HH2 ARG 31 1HH2 ARG 31 -5.907 7.859 9.449
228 2HH2 ARG 31 2HH2 ARG 31 -6.417 8.235 7.872
229 H SER 32 H SER 32 -3.112 1.489 5.677
230 HA SER 32 HA SER 32 -5.584 1.149 4.150
231 1HB SER 32 2HB SER 32 -3.982 3.680 3.967
232 2HB SER 32 1HB SER 32 -5.618 3.365 3.427
233 HG SER 32 HG SER 32 -6.349 3.402 5.536
234 H GLY 33 H GLY 33 -4.970 1.694 1.885
235 1HA GLY 33 2HA GLY 33 -2.153 1.406 1.312
236 2HA GLY 33 1HA GLY 33 -3.241 0.213 0.606
237 H ARG 34 H ARG 34 -1.610 2.530 -0.400
238 HA ARG 34 HA ARG 34 -3.756 3.649 -2.045
239 1HB ARG 34 2HB ARG 34 -1.610 5.224 -0.673
240 2HB ARG 34 1HB ARG 34 -2.404 5.785 -2.139
241 1HG ARG 34 2HG ARG 34 -4.495 5.644 -1.092
242 2HG ARG 34 1HG ARG 34 -3.783 5.118 0.447
243 1HD ARG 34 2HD ARG 34 -3.340 7.775 -0.964
244 2HD ARG 34 1HD ARG 34 -4.240 7.534 0.528
245 HE ARG 34 HE ARG 34 -1.615 6.584 0.889
246 1HH1 ARG 34 1HH1 ARG 34 -3.283 9.709 0.476
247 2HH1 ARG 34 2HH1 ARG 34 -2.147 10.563 1.403
248 1HH2 ARG 34 1HH2 ARG 34 -0.067 7.775 2.061
249 2HH2 ARG 34 2HH2 ARG 34 -0.223 9.459 2.305
250 H CYS 35 H CYS 35 -3.468 4.166 -3.887
251 HA CYS 35 HA CYS 35 -1.211 2.838 -5.188
252 1HB CYS 35 2HB CYS 35 -3.658 2.422 -5.687
253 2HB CYS 35 1HB CYS 35 -3.661 4.005 -6.471
254 H ARG 36 H ARG 36 0.387 4.236 -5.360
255 HA ARG 36 HA ARG 36 -0.364 7.018 -5.441
256 1HB ARG 36 2HB ARG 36 2.362 5.916 -4.909
257 2HB ARG 36 1HB ARG 36 1.843 7.585 -4.705
258 1HG ARG 36 2HG ARG 36 0.079 6.633 -3.132
259 2HG ARG 36 1HG ARG 36 1.057 5.173 -3.141
260 1HD ARG 36 2HD ARG 36 1.682 7.903 -2.079
261 2HD ARG 36 1HD ARG 36 1.845 6.342 -1.287
262 HE ARG 36 HE ARG 36 3.596 6.518 -3.481
263 1HH1 ARG 36 1HH1 ARG 36 3.181 7.293 -0.060
264 2HH1 ARG 36 2HH1 ARG 36 4.761 7.849 0.192
265 1HH2 ARG 36 1HH2 ARG 36 5.830 7.259 -3.166
266 2HH2 ARG 36 2HH2 ARG 36 6.317 7.816 -1.629
267 H ASP 37 H ASP 37 1.509 8.395 -6.524
268 HA ASP 37 HA ASP 37 1.039 8.304 -9.274
269 1HB ASP 37 2HB ASP 37 1.595 10.346 -8.035
270 2HB ASP 37 1HB ASP 37 3.214 9.731 -7.749
271 H ASP 38 H ASP 38 3.487 6.880 -7.377
272 HA ASP 38 HA ASP 38 5.344 6.373 -9.505
273 1HB ASP 38 2HB ASP 38 6.561 5.110 -7.743
274 2HB ASP 38 1HB ASP 38 6.196 6.769 -7.296
275 H PHE 39 H PHE 39 2.449 5.087 -8.908
276 HA PHE 39 HA PHE 39 1.292 3.399 -9.776
277 1HB PHE 39 2HB PHE 39 3.814 2.602 -11.265
278 2HB PHE 39 1HB PHE 39 2.214 1.952 -11.537
279 HD1 PHE 39 1HD PHE 39 0.391 3.441 -12.340
280 HD2 PHE 39 2HD PHE 39 4.460 4.658 -12.239
281 HE1 PHE 39 1HE PHE 39 -0.115 5.247 -13.930
282 HE2 PHE 39 2HE PHE 39 3.966 6.468 -13.820
283 HZ PHE 39 HZ PHE 39 1.671 6.767 -14.670
284 H ARG 40 H ARG 40 3.299 2.905 -7.370
285 HA ARG 40 HA ARG 40 2.658 0.072 -7.403
286 1HB ARG 40 2HB ARG 40 4.879 1.460 -5.905
287 2HB ARG 40 1HB ARG 40 4.381 -0.190 -5.575
288 1HG ARG 40 2HG ARG 40 4.900 -0.761 -7.936
289 2HG ARG 40 1HG ARG 40 5.523 0.873 -8.152
290 1HD ARG 40 2HD ARG 40 7.355 -0.652 -7.731
291 2HD ARG 40 1HD ARG 40 7.177 0.448 -6.368
292 HE ARG 40 HE ARG 40 5.803 -1.630 -5.455
293 1HH1 ARG 40 1HH1 ARG 40 8.881 -1.658 -7.186
294 2HH1 ARG 40 2HH1 ARG 40 9.490 -3.040 -6.401
295 1HH2 ARG 40 1HH2 ARG 40 6.661 -3.510 -4.312
296 2HH2 ARG 40 2HH2 ARG 40 8.222 -4.083 -4.690
297 H CYS 41 H CYS 41 2.260 -0.847 -5.252
298 HA CYS 41 HA CYS 41 0.188 0.684 -3.982
299 1HB CYS 41 2HB CYS 41 -0.248 -1.557 -4.660
300 2HB CYS 41 1HB CYS 41 1.121 -2.181 -3.741
301 H TRP 42 H TRP 42 0.536 1.737 -2.187
302 HA TRP 42 HA TRP 42 2.840 1.052 -0.503
303 1HB TRP 42 2HB TRP 42 1.486 3.685 -1.072
304 2HB TRP 42 1HB TRP 42 2.579 3.429 0.280
305 HD1 TRP 42 HD TRP 42 2.673 3.116 -3.580
306 HE1 TRP 42 1HE TRP 42 4.996 3.795 -4.367
307 HE3 TRP 42 3HE TRP 42 4.785 3.932 0.973
308 HZ2 TRP 42 2HZ TRP 42 7.479 4.576 -3.168
309 HZ3 TRP 42 3HZ TRP 42 7.084 4.643 1.103
310 HH2 TRP 42 HH TRP 42 8.446 4.967 -0.935
311 H CYS 43 H CYS 43 2.286 0.425 1.473
312 HA CYS 43 HA CYS 43 -0.506 0.610 2.266
313 1HB CYS 43 2HB CYS 43 1.795 -0.926 3.485
314 2HB CYS 43 1HB CYS 43 0.115 -1.017 3.990
315 H THR 44 H THR 44 -1.120 1.893 3.966
316 HA THR 44 HA THR 44 0.892 3.686 5.032
317 HB THR 44 HB THR 44 -2.128 3.701 5.358
318 HG1 THR 44 1HG THR 44 -0.598 5.118 3.362
319 1HG2 THR 44 1HG2 THR 44 -1.777 6.099 5.841
320 2HG2 THR 44 2HG2 THR 44 -0.035 5.851 5.659
321 3HG2 THR 44 3HG2 THR 44 -0.907 5.053 6.962
322 H ARG 45 H ARG 45 1.344 3.502 7.263
323 HA ARG 45 HA ARG 45 -0.438 1.855 8.843
324 1HB ARG 45 2HB ARG 45 1.482 0.729 9.945
325 2HB ARG 45 1HB ARG 45 1.303 0.307 8.253
326 1HG ARG 45 2HG ARG 45 3.134 1.841 7.694
327 2HG ARG 45 1HG ARG 45 3.320 2.223 9.411
328 1HD ARG 45 2HD ARG 45 3.813 -0.109 9.890
329 2HD ARG 45 1HD ARG 45 3.572 -0.526 8.199
330 HE ARG 45 HE ARG 45 5.571 1.480 8.611
331 1HH1 ARG 45 1HH1 ARG 45 4.974 -2.029 8.414
332 2HH1 ARG 45 2HH1 ARG 45 6.604 -2.397 8.153
333 1HH2 ARG 45 1HH2 ARG 45 7.808 0.913 8.268
334 2HH2 ARG 45 2HH2 ARG 45 8.237 -0.734 8.086
335 H ASN 46 H ASN 46 -0.569 2.410 11.017
336 HA ASN 46 HA ASN 46 -0.039 5.091 11.578
337 1HB ASN 46 2HB ASN 46 -1.182 2.752 13.012
338 2HB ASN 46 1HB ASN 46 -0.863 4.250 13.847
339 1HD2 ASN 46 1HD2 ASN 46 -2.871 2.570 11.620
340 2HD2 ASN 46 2HD2 ASN 46 -4.058 3.814 11.438
341 H CYS 47 H CYS 47 1.587 5.971 12.705
342 HA CYS 47 HA CYS 47 3.194 4.289 14.388
343 1HB CYS 47 2HB CYS 47 5.242 5.549 13.452
344 2HB CYS 47 1HB CYS 47 4.552 4.308 12.418
Start of MODEL 2
1 1H LYS 1 1HT LYS 1 2.795 8.079 13.701
2 2H LYS 1 2HT LYS 1 1.159 8.330 13.457
3 3H LYS 1 3HT LYS 1 2.043 9.476 14.333
4 HA LYS 1 HA LYS 1 1.693 10.276 12.074
5 1HB LYS 1 2HB LYS 1 4.435 9.024 12.185
6 2HB LYS 1 1HB LYS 1 3.970 10.452 11.299
7 1HG LYS 1 2HG LYS 1 3.713 11.747 13.278
8 2HG LYS 1 1HG LYS 1 3.881 10.328 14.300
9 1HD LYS 1 2HD LYS 1 6.028 11.419 12.492
10 2HD LYS 1 1HD LYS 1 5.929 11.731 14.226
11 1HE LYS 1 2HE LYS 1 6.073 9.251 14.604
12 2HE LYS 1 1HE LYS 1 6.327 9.047 12.877
13 1HZ LYS 1 1HZ LYS 1 8.345 10.337 13.045
14 2HZ LYS 1 2HZ LYS 1 8.383 9.040 14.141
15 3HZ LYS 1 3HZ LYS 1 8.078 10.598 14.686
16 H THR 2 H THR 2 2.717 9.632 9.749
17 HA THR 2 HA THR 2 1.976 6.847 9.348
18 HB THR 2 HB THR 2 1.222 7.579 7.062
19 HG1 THR 2 1HG THR 2 2.063 9.714 7.151
20 1HG2 THR 2 1HG2 THR 2 -1.041 8.220 7.866
21 2HG2 THR 2 2HG2 THR 2 -0.365 8.486 9.475
22 3HG2 THR 2 3HG2 THR 2 -0.364 6.867 8.776
23 H CYS 3 H CYS 3 3.268 5.678 8.296
24 HA CYS 3 HA CYS 3 5.464 6.870 6.766
25 1HB CYS 3 2HB CYS 3 5.554 4.464 8.629
26 2HB CYS 3 1HB CYS 3 6.864 4.923 7.546
27 H GLU 4 H GLU 4 5.750 5.886 4.732
28 HA GLU 4 HA GLU 4 3.759 3.815 4.148
29 1HB GLU 4 2HB GLU 4 3.222 6.243 3.581
30 2HB GLU 4 1HB GLU 4 4.514 6.119 2.426
31 1HG GLU 4 2HG GLU 4 3.358 4.504 1.169
32 2HG GLU 4 1HG GLU 4 2.084 4.378 2.389
33 H ASN 5 H ASN 5 4.393 2.281 2.724
34 HA ASN 5 HA ASN 5 6.893 2.493 1.248
35 1HB ASN 5 2HB ASN 5 6.368 0.288 3.292
36 2HB ASN 5 1HB ASN 5 7.543 0.170 2.005
37 1HD2 ASN 5 1HD2 ASN 5 9.434 1.233 2.176
38 2HD2 ASN 5 2HD2 ASN 5 10.002 1.978 3.616
39 H LEU 6 H LEU 6 7.077 0.808 -0.296
40 HA LEU 6 HA LEU 6 4.750 0.436 -1.736
41 1HB LEU 6 2HB LEU 6 7.453 -0.739 -1.675
42 2HB LEU 6 1HB LEU 6 6.295 -1.112 -2.928
43 HG LEU 6 HG LEU 6 7.272 1.694 -2.358
44 1HD1 LEU 6 1HD1 LEU 6 8.267 -0.264 -4.430
45 2HD1 LEU 6 2HD1 LEU 6 9.164 0.280 -3.013
46 3HD1 LEU 6 3HD1 LEU 6 8.742 1.426 -4.284
47 1HD2 LEU 6 1HD2 LEU 6 6.416 2.131 -4.602
48 2HD2 LEU 6 2HD2 LEU 6 5.144 1.531 -3.541
49 3HD2 LEU 6 3HD2 LEU 6 5.882 0.457 -4.730
50 H ALA 7 H ALA 7 3.394 -1.333 -1.866
51 HA ALA 7 HA ALA 7 3.159 -3.107 0.273
52 1HB ALA 7 1HB ALA 7 1.559 -4.285 -1.181
53 2HB ALA 7 2HB ALA 7 2.104 -3.271 -2.528
54 3HB ALA 7 3HB ALA 7 1.299 -2.541 -1.145
55 H ASN 8 H ASN 8 3.796 -5.122 0.562
56 HA ASN 8 HA ASN 8 6.228 -5.859 -0.815
57 1HB ASN 8 2HB ASN 8 4.816 -7.134 1.534
58 2HB ASN 8 1HB ASN 8 6.404 -7.590 0.927
59 1HD2 ASN 8 1HD2 ASN 8 4.563 -5.162 2.605
60 2HD2 ASN 8 2HD2 ASN 8 5.917 -4.286 3.229
61 H THR 9 H THR 9 2.968 -7.032 -0.437
62 HA THR 9 HA THR 9 3.712 -9.282 -2.140
63 HB THR 9 HB THR 9 1.583 -10.387 -1.218
64 HG1 THR 9 1HG THR 9 1.884 -8.193 0.577
65 1HG2 THR 9 1HG2 THR 9 3.874 -9.768 0.640
66 2HG2 THR 9 2HG2 THR 9 3.827 -11.081 -0.538
67 3HG2 THR 9 3HG2 THR 9 2.738 -11.095 0.849
68 H TYR 10 H TYR 10 2.586 -6.479 -2.642
69 HA TYR 10 HA TYR 10 0.495 -7.313 -4.568
70 1HB TYR 10 2HB TYR 10 0.021 -5.378 -2.900
71 2HB TYR 10 1HB TYR 10 1.233 -4.483 -3.792
72 HD1 TYR 10 1HD TYR 10 0.686 -4.586 -6.520
73 HD2 TYR 10 2HD TYR 10 -2.147 -4.778 -3.356
74 HE1 TYR 10 1HE TYR 10 -1.040 -3.697 -8.022
75 HE2 TYR 10 2HE TYR 10 -3.885 -3.900 -4.854
76 HH TYR 10 HH TYR 10 -3.474 -3.729 -8.197
77 H ARG 11 H ARG 11 1.150 -7.340 -6.662
78 HA ARG 11 HA ARG 11 3.504 -5.800 -7.379
79 1HB ARG 11 2HB ARG 11 4.188 -8.098 -6.663
80 2HB ARG 11 1HB ARG 11 3.214 -8.733 -7.981
81 1HG ARG 11 2HG ARG 11 4.602 -7.508 -9.576
82 2HG ARG 11 1HG ARG 11 5.602 -6.925 -8.242
83 1HD ARG 11 2HD ARG 11 5.180 -9.789 -9.058
84 2HD ARG 11 1HD ARG 11 6.646 -8.834 -9.287
85 HE ARG 11 HE ARG 11 6.039 -8.834 -6.575
86 1HH1 ARG 11 1HH1 ARG 11 7.080 -11.115 -9.062
87 2HH1 ARG 11 2HH1 ARG 11 7.797 -12.206 -7.971
88 1HH2 ARG 11 1HH2 ARG 11 7.012 -10.317 -5.068
89 2HH2 ARG 11 2HH2 ARG 11 7.823 -11.704 -5.628
90 H GLY 12 H GLY 12 3.183 -4.863 -9.297
91 1HA GLY 12 2HA GLY 12 2.560 -5.355 -11.643
92 2HA GLY 12 1HA GLY 12 1.033 -5.934 -10.979
93 HA PRO 13 HA PRO 13 0.852 -1.324 -11.949
94 1HB PRO 13 2HB PRO 13 -1.262 -2.100 -13.843
95 2HB PRO 13 1HB PRO 13 0.149 -1.072 -14.106
96 1HG PRO 13 2HG PRO 13 -0.023 -3.531 -15.181
97 2HG PRO 13 1HG PRO 13 1.520 -2.857 -14.626
98 1HD PRO 13 2HD PRO 13 -0.284 -4.819 -13.255
99 2HD PRO 13 1HD PRO 13 1.486 -4.827 -13.406
100 H CYS 14 H CYS 14 -0.129 -0.704 -10.190
101 HA CYS 14 HA CYS 14 -2.693 -1.691 -9.348
102 1HB CYS 14 2HB CYS 14 -1.039 -1.284 -7.645
103 2HB CYS 14 1HB CYS 14 -0.754 0.344 -8.245
104 H PHE 15 H PHE 15 -4.530 -0.635 -9.617
105 HA PHE 15 HA PHE 15 -4.402 2.047 -10.812
106 1HB PHE 15 2HB PHE 15 -6.449 -0.093 -11.420
107 2HB PHE 15 1HB PHE 15 -6.491 1.550 -12.043
108 HD1 PHE 15 1HD PHE 15 -5.301 -1.759 -12.562
109 HD2 PHE 15 2HD PHE 15 -4.488 2.322 -13.450
110 HE1 PHE 15 1HE PHE 15 -3.892 -2.454 -14.454
111 HE2 PHE 15 2HE PHE 15 -3.082 1.633 -15.347
112 HZ PHE 15 HZ PHE 15 -2.783 -0.757 -15.850
113 H THR 16 H THR 16 -6.066 -0.017 -8.492
114 HA THR 16 HA THR 16 -7.700 2.290 -7.766
115 HB THR 16 HB THR 16 -8.381 -0.628 -7.383
116 HG1 THR 16 1HG THR 16 -9.592 -0.400 -9.206
117 1HG2 THR 16 1HG2 THR 16 -10.648 0.244 -6.961
118 2HG2 THR 16 2HG2 THR 16 -10.051 1.893 -7.142
119 3HG2 THR 16 3HG2 THR 16 -9.493 0.896 -5.798
120 H THR 17 H THR 17 -7.364 3.141 -5.855
121 HA THR 17 HA THR 17 -5.517 2.248 -4.007
122 HB THR 17 HB THR 17 -7.675 4.320 -3.959
123 HG1 THR 17 1HG THR 17 -6.048 5.068 -5.108
124 1HG2 THR 17 1HG2 THR 17 -5.757 3.689 -1.696
125 2HG2 THR 17 2HG2 THR 17 -7.513 3.700 -1.633
126 3HG2 THR 17 3HG2 THR 17 -6.630 5.209 -1.860
127 H GLY 18 H GLY 18 -9.041 1.777 -4.063
128 1HA GLY 18 2HA GLY 18 -9.391 0.711 -1.523
129 2HA GLY 18 1HA GLY 18 -10.352 0.287 -2.932
130 H SER 19 H SER 19 -8.172 -0.851 -4.432
131 HA SER 19 HA SER 19 -8.320 -3.505 -3.453
132 1HB SER 19 2HB SER 19 -6.610 -2.327 -5.653
133 2HB SER 19 1HB SER 19 -7.026 -4.030 -5.449
134 HG SER 19 HG SER 19 -8.921 -3.693 -6.217
135 H CYS 20 H CYS 20 -5.828 -1.069 -3.750
136 HA CYS 20 HA CYS 20 -3.652 -2.475 -2.682
137 1HB CYS 20 2HB CYS 20 -3.457 -0.297 -3.928
138 2HB CYS 20 1HB CYS 20 -4.307 0.473 -2.642
139 H ASP 21 H ASP 21 -6.029 -0.319 -1.217
140 HA ASP 21 HA ASP 21 -5.161 -0.242 1.422
141 1HB ASP 21 2HB ASP 21 -6.759 1.290 0.650
142 2HB ASP 21 1HB ASP 21 -7.904 0.026 0.185
143 H ASP 22 H ASP 22 -7.611 -2.386 0.015
144 HA ASP 22 HA ASP 22 -8.135 -3.836 2.363
145 1HB ASP 22 2HB ASP 22 -9.611 -3.984 0.427
146 2HB ASP 22 1HB ASP 22 -8.331 -4.737 -0.516
147 H HIS 23 H HIS 23 -5.857 -4.351 -0.221
148 HA HIS 23 HA HIS 23 -4.790 -6.805 0.571
149 1HB HIS 23 2HB HIS 23 -4.382 -5.937 -1.636
150 2HB HIS 23 1HB HIS 23 -3.616 -4.496 -0.983
151 HD1 HIS 23 1HD HIS 23 -3.004 -8.143 -1.573
152 HD2 HIS 23 2HD HIS 23 -0.955 -4.772 -0.305
153 HE1 HIS 23 1HE HIS 23 -0.621 -8.801 -1.500
154 HE2 HIS 23 2HE HIS 23 0.502 -6.810 -0.375
155 H CYS 24 H CYS 24 -3.656 -3.517 1.263
156 HA CYS 24 HA CYS 24 -1.446 -4.251 2.818
157 1HB CYS 24 2HB CYS 24 -3.078 -1.724 2.700
158 2HB CYS 24 1HB CYS 24 -1.554 -1.804 3.550
159 H LYS 25 H LYS 25 -4.875 -3.603 3.742
160 HA LYS 25 HA LYS 25 -4.405 -3.600 6.485
161 1HB LYS 25 2HB LYS 25 -6.770 -3.930 4.703
162 2HB LYS 25 1HB LYS 25 -6.887 -4.045 6.436
163 1HG LYS 25 2HG LYS 25 -6.065 -1.732 6.631
164 2HG LYS 25 1HG LYS 25 -5.950 -1.650 4.868
165 1HD LYS 25 2HD LYS 25 -8.336 -2.004 4.659
166 2HD LYS 25 1HD LYS 25 -8.484 -2.214 6.400
167 1HE LYS 25 2HE LYS 25 -7.600 0.312 5.000
168 2HE LYS 25 1HE LYS 25 -9.208 0.018 5.652
169 1HZ LYS 25 1HZ LYS 25 -6.679 0.187 7.200
170 2HZ LYS 25 2HZ LYS 25 -8.179 -0.214 7.858
171 3HZ LYS 25 3HZ LYS 25 -7.934 1.311 7.200
172 H ASN 26 H ASN 26 -5.610 -6.052 4.178
173 HA ASN 26 HA ASN 26 -6.067 -7.907 6.289
174 1HB ASN 26 2HB ASN 26 -7.670 -7.849 4.563
175 2HB ASN 26 1HB ASN 26 -6.449 -8.058 3.315
176 1HD2 ASN 26 1HD2 ASN 26 -5.783 -10.072 2.802
177 2HD2 ASN 26 2HD2 ASN 26 -6.423 -11.504 3.515
178 H LYS 27 H LYS 27 -3.773 -7.855 3.532
179 HA LYS 27 HA LYS 27 -2.731 -10.374 4.565
180 1HB LYS 27 2HB LYS 27 -3.183 -10.164 2.104
181 2HB LYS 27 1HB LYS 27 -1.932 -8.938 2.026
182 1HG LYS 27 2HG LYS 27 -0.245 -10.535 2.663
183 2HG LYS 27 1HG LYS 27 -1.466 -11.779 2.912
184 1HD LYS 27 2HD LYS 27 -2.035 -11.677 0.518
185 2HD LYS 27 1HD LYS 27 -0.787 -10.450 0.286
186 1HE LYS 27 2HE LYS 27 0.916 -12.039 1.029
187 2HE LYS 27 1HE LYS 27 -0.325 -13.261 1.286
188 1HZ LYS 27 1HZ LYS 27 0.841 -13.545 -0.845
189 2HZ LYS 27 2HZ LYS 27 0.286 -12.022 -1.346
190 3HZ LYS 27 3HZ LYS 27 -0.805 -13.248 -1.051
191 H GLU 28 H GLU 28 -1.729 -7.044 4.132
192 HA GLU 28 HA GLU 28 0.852 -7.826 5.178
193 1HB GLU 28 2HB GLU 28 0.017 -5.216 3.931
194 2HB GLU 28 1HB GLU 28 1.646 -5.558 4.501
195 1HG GLU 28 2HG GLU 28 1.506 -7.648 2.991
196 2HG GLU 28 1HG GLU 28 0.111 -6.892 2.293
197 H HIS 29 H HIS 29 -1.967 -6.801 6.355
198 HA HIS 29 HA HIS 29 -2.742 -5.856 8.238
199 1HB HIS 29 2HB HIS 29 -1.826 -8.020 9.096
200 2HB HIS 29 1HB HIS 29 -0.325 -7.200 9.505
201 HD1 HIS 29 1HD HIS 29 -0.211 -6.462 11.893
202 HD2 HIS 29 2HD HIS 29 -4.129 -6.750 10.562
203 HE1 HIS 29 1HE HIS 29 -1.639 -5.925 13.876
204 HE2 HIS 29 2HE HIS 29 -3.952 -5.802 12.954
205 H LEU 30 H LEU 30 -1.732 -3.957 6.928
206 HA LEU 30 HA LEU 30 -0.331 -2.331 8.910
207 1HB LEU 30 2HB LEU 30 -0.402 -2.083 5.907
208 2HB LEU 30 1HB LEU 30 0.383 -0.939 6.984
209 HG LEU 30 HG LEU 30 1.151 -3.845 6.692
210 1HD1 LEU 30 1HD1 LEU 30 2.469 -1.359 5.667
211 2HD1 LEU 30 2HD1 LEU 30 1.713 -2.636 4.703
212 3HD1 LEU 30 3HD1 LEU 30 3.174 -2.974 5.630
213 1HD2 LEU 30 1HD2 LEU 30 3.130 -3.196 7.998
214 2HD2 LEU 30 2HD2 LEU 30 1.637 -3.035 8.912
215 3HD2 LEU 30 3HD2 LEU 30 2.425 -1.601 8.251
216 H ARG 31 H ARG 31 -0.921 0.154 7.840
217 HA ARG 31 HA ARG 31 -3.389 0.635 9.148
218 1HB ARG 31 2HB ARG 31 -1.421 2.277 8.881
219 2HB ARG 31 1HB ARG 31 -1.935 2.429 7.252
220 1HG ARG 31 2HG ARG 31 -4.134 3.252 7.917
221 2HG ARG 31 1HG ARG 31 -3.624 3.167 9.603
222 1HD ARG 31 2HD ARG 31 -1.906 4.800 9.222
223 2HD ARG 31 1HD ARG 31 -2.252 4.817 7.493
224 HE ARG 31 HE ARG 31 -3.943 5.884 9.630
225 1HH1 ARG 31 1HH1 ARG 31 -3.277 5.563 6.158
226 2HH1 ARG 31 2HH1 ARG 31 -4.397 6.747 5.684
227 1HH2 ARG 31 1HH2 ARG 31 -5.455 7.531 8.965
228 2HH2 ARG 31 2HH2 ARG 31 -5.639 7.912 7.315
229 H SER 32 H SER 32 -2.494 1.357 5.810
230 HA SER 32 HA SER 32 -5.025 0.534 4.682
231 1HB SER 32 2HB SER 32 -4.154 3.433 4.476
232 2HB SER 32 1HB SER 32 -5.668 2.711 3.956
233 HG SER 32 HG SER 32 -6.437 3.223 5.817
234 H GLY 33 H GLY 33 -4.789 1.444 2.293
235 1HA GLY 33 2HA GLY 33 -1.992 1.461 1.525
236 2HA GLY 33 1HA GLY 33 -3.056 0.244 0.813
237 H ARG 34 H ARG 34 -1.626 2.531 -0.342
238 HA ARG 34 HA ARG 34 -3.927 3.595 -1.737
239 1HB ARG 34 2HB ARG 34 -1.775 5.272 -0.522
240 2HB ARG 34 1HB ARG 34 -2.688 5.809 -1.929
241 1HG ARG 34 2HG ARG 34 -4.690 5.584 -0.776
242 2HG ARG 34 1HG ARG 34 -3.890 5.020 0.707
243 1HD ARG 34 2HD ARG 34 -3.650 7.736 -0.614
244 2HD ARG 34 1HD ARG 34 -4.391 7.373 0.944
245 HE ARG 34 HE ARG 34 -1.621 6.619 0.779
246 1HH1 ARG 34 1HH1 ARG 34 -3.876 9.165 1.704
247 2HH1 ARG 34 2HH1 ARG 34 -2.694 10.097 2.501
248 1HH2 ARG 34 1HH2 ARG 34 -0.047 7.815 1.879
249 2HH2 ARG 34 2HH2 ARG 34 -0.424 9.309 2.616
250 H CYS 35 H CYS 35 -3.768 4.165 -3.636
251 HA CYS 35 HA CYS 35 -1.565 2.812 -4.987
252 1HB CYS 35 2HB CYS 35 -3.984 2.160 -5.347
253 2HB CYS 35 1HB CYS 35 -4.184 3.715 -6.155
254 H ARG 36 H ARG 36 -0.055 4.141 -5.562
255 HA ARG 36 HA ARG 36 -0.757 6.931 -5.959
256 1HB ARG 36 2HB ARG 36 1.869 5.645 -5.239
257 2HB ARG 36 1HB ARG 36 1.710 7.343 -5.669
258 1HG ARG 36 2HG ARG 36 0.249 7.753 -3.818
259 2HG ARG 36 1HG ARG 36 0.172 6.040 -3.444
260 1HD ARG 36 2HD ARG 36 1.648 7.336 -1.936
261 2HD ARG 36 1HD ARG 36 2.456 6.016 -2.763
262 HE ARG 36 HE ARG 36 2.842 8.336 -4.263
263 1HH1 ARG 36 1HH1 ARG 36 3.668 7.155 -1.009
264 2HH1 ARG 36 2HH1 ARG 36 5.203 7.893 -1.008
265 1HH2 ARG 36 1HH2 ARG 36 4.973 9.360 -4.195
266 2HH2 ARG 36 2HH2 ARG 36 5.951 9.137 -2.826
267 H ASP 37 H ASP 37 1.092 8.005 -7.437
268 HA ASP 37 HA ASP 37 0.264 7.159 -10.027
269 1HB ASP 37 2HB ASP 37 1.996 9.453 -9.134
270 2HB ASP 37 1HB ASP 37 1.611 9.147 -10.824
271 H ASP 38 H ASP 38 2.565 5.923 -8.244
272 HA ASP 38 HA ASP 38 4.635 5.418 -10.205
273 1HB ASP 38 2HB ASP 38 3.883 3.854 -7.720
274 2HB ASP 38 1HB ASP 38 5.343 3.634 -8.661
275 H PHE 39 H PHE 39 1.456 4.466 -9.679
276 HA PHE 39 HA PHE 39 0.063 2.830 -10.290
277 1HB PHE 39 2HB PHE 39 2.323 2.037 -12.162
278 2HB PHE 39 1HB PHE 39 0.798 1.172 -12.104
279 HD1 PHE 39 1HD PHE 39 -1.243 2.188 -12.942
280 HD2 PHE 39 2HD PHE 39 2.486 4.223 -13.193
281 HE1 PHE 39 1HE PHE 39 -2.199 3.730 -14.594
282 HE2 PHE 39 2HE PHE 39 1.531 5.766 -14.847
283 HZ PHE 39 HZ PHE 39 -0.813 5.522 -15.549
284 H ARG 40 H ARG 40 1.855 2.730 -8.133
285 HA ARG 40 HA ARG 40 1.987 -0.148 -7.751
286 1HB ARG 40 2HB ARG 40 3.968 1.866 -6.633
287 2HB ARG 40 1HB ARG 40 3.957 0.137 -6.335
288 1HG ARG 40 2HG ARG 40 4.308 -0.277 -8.721
289 2HG ARG 40 1HG ARG 40 4.382 1.463 -8.993
290 1HD ARG 40 2HD ARG 40 6.621 0.574 -8.860
291 2HD ARG 40 1HD ARG 40 6.294 1.578 -7.447
292 HE ARG 40 HE ARG 40 5.635 -0.887 -6.602
293 1HH1 ARG 40 1HH1 ARG 40 8.554 0.463 -8.062
294 2HH1 ARG 40 2HH1 ARG 40 9.612 -0.655 -7.337
295 1HH2 ARG 40 1HH2 ARG 40 7.043 -2.381 -5.571
296 2HH2 ARG 40 2HH2 ARG 40 8.732 -2.307 -5.857
297 H CYS 41 H CYS 41 1.514 -0.882 -5.711
298 HA CYS 41 HA CYS 41 -0.288 0.742 -4.189
299 1HB CYS 41 2HB CYS 41 -0.840 -1.508 -4.674
300 2HB CYS 41 1HB CYS 41 0.669 -2.115 -4.008
301 H TRP 42 H TRP 42 0.285 1.847 -2.484
302 HA TRP 42 HA TRP 42 2.820 1.280 -1.116
303 1HB TRP 42 2HB TRP 42 1.218 3.800 -1.518
304 2HB TRP 42 1HB TRP 42 2.436 3.661 -0.272
305 HD1 TRP 42 HD TRP 42 2.107 3.724 -4.132
306 HE1 TRP 42 1HE TRP 42 4.370 4.596 -5.079
307 HE3 TRP 42 3HE TRP 42 4.891 3.873 0.213
308 HZ2 TRP 42 2HZ TRP 42 6.896 5.168 -4.158
309 HZ3 TRP 42 3HZ TRP 42 7.171 4.590 0.080
310 HH2 TRP 42 HH TRP 42 8.201 5.225 -2.018
311 H CYS 43 H CYS 43 2.484 0.459 0.866
312 HA CYS 43 HA CYS 43 -0.153 0.688 2.098
313 1HB CYS 43 2HB CYS 43 2.235 -0.979 2.906
314 2HB CYS 43 1HB CYS 43 0.643 -1.025 3.640
315 H THR 44 H THR 44 -0.434 1.972 3.863
316 HA THR 44 HA THR 44 1.930 3.357 4.774
317 HB THR 44 HB THR 44 0.314 4.895 3.881
318 HG1 THR 44 1HG THR 44 0.705 6.142 5.457
319 1HG2 THR 44 1HG2 THR 44 -1.697 3.530 3.936
320 2HG2 THR 44 2HG2 THR 44 -1.997 5.086 4.703
321 3HG2 THR 44 3HG2 THR 44 -1.753 3.648 5.694
322 H ARG 45 H ARG 45 2.100 3.610 7.044
323 HA ARG 45 HA ARG 45 0.578 1.693 8.661
324 1HB ARG 45 2HB ARG 45 2.661 0.907 9.699
325 2HB ARG 45 1HB ARG 45 2.668 0.591 7.971
326 1HG ARG 45 2HG ARG 45 4.067 2.604 7.636
327 2HG ARG 45 1HG ARG 45 4.105 2.830 9.382
328 1HD ARG 45 2HD ARG 45 6.125 1.757 8.594
329 2HD ARG 45 1HD ARG 45 5.219 0.669 9.631
330 HE ARG 45 HE ARG 45 5.072 0.499 6.691
331 1HH1 ARG 45 1HH1 ARG 45 5.464 -1.094 9.830
332 2HH1 ARG 45 2HH1 ARG 45 5.772 -2.619 9.169
333 1HH2 ARG 45 1HH2 ARG 45 5.522 -1.560 5.791
334 2HH2 ARG 45 2HH2 ARG 45 5.846 -2.895 6.793
335 H ASN 46 H ASN 46 0.442 2.357 10.957
336 HA ASN 46 HA ASN 46 0.911 5.096 11.317
337 1HB ASN 46 2HB ASN 46 -0.065 2.884 13.107
338 2HB ASN 46 1HB ASN 46 0.164 4.559 13.566
339 1HD2 ASN 46 1HD2 ASN 46 -1.840 2.296 11.933
340 2HD2 ASN 46 2HD2 ASN 46 -3.163 3.339 11.601
341 H CYS 47 H CYS 47 2.721 5.814 12.008
342 HA CYS 47 HA CYS 47 4.457 4.026 13.486
343 1HB CYS 47 2HB CYS 47 6.396 5.369 12.522
344 2HB CYS 47 1HB CYS 47 5.566 4.303 11.396
Start of MODEL 3
1 1H LYS 1 1HT LYS 1 3.019 6.978 14.513
2 2H LYS 1 2HT LYS 1 1.462 7.599 14.474
3 3H LYS 1 3HT LYS 1 2.696 8.511 15.170
4 HA LYS 1 HA LYS 1 2.175 9.347 12.944
5 1HB LYS 1 2HB LYS 1 4.639 7.627 12.678
6 2HB LYS 1 1HB LYS 1 4.325 9.168 11.912
7 1HG LYS 1 2HG LYS 1 4.576 10.328 14.011
8 2HG LYS 1 1HG LYS 1 4.750 8.793 14.862
9 1HD LYS 1 2HD LYS 1 6.647 9.913 12.795
10 2HD LYS 1 1HD LYS 1 6.929 9.838 14.530
11 1HE LYS 1 2HE LYS 1 6.701 7.504 12.609
12 2HE LYS 1 1HE LYS 1 8.135 8.047 13.465
13 1HZ LYS 1 1HZ LYS 1 5.728 6.732 14.653
14 2HZ LYS 1 2HZ LYS 1 6.916 7.440 15.587
15 3HZ LYS 1 3HZ LYS 1 7.297 6.144 14.598
16 H THR 2 H THR 2 2.696 8.512 10.533
17 HA THR 2 HA THR 2 1.849 5.759 10.380
18 HB THR 2 HB THR 2 0.852 6.380 8.150
19 HG1 THR 2 1HG THR 2 0.629 8.959 9.323
20 1HG2 THR 2 1HG2 THR 2 -1.319 7.085 9.154
21 2HG2 THR 2 2HG2 THR 2 -0.478 7.406 10.670
22 3HG2 THR 2 3HG2 THR 2 -0.555 5.765 10.039
23 H CYS 3 H CYS 3 3.032 4.543 9.267
24 HA CYS 3 HA CYS 3 5.263 5.704 7.760
25 1HB CYS 3 2HB CYS 3 5.119 3.119 9.340
26 2HB CYS 3 1HB CYS 3 6.463 3.566 8.294
27 H GLU 4 H GLU 4 5.416 5.115 5.687
28 HA GLU 4 HA GLU 4 3.453 3.154 4.738
29 1HB GLU 4 2HB GLU 4 2.997 5.613 4.357
30 2HB GLU 4 1HB GLU 4 4.428 5.617 3.369
31 1HG GLU 4 2HG GLU 4 3.429 4.006 1.886
32 2HG GLU 4 1HG GLU 4 1.959 4.011 2.853
33 H ASN 5 H ASN 5 4.212 1.668 3.409
34 HA ASN 5 HA ASN 5 6.755 1.977 2.039
35 1HB ASN 5 2HB ASN 5 6.156 -0.258 4.011
36 2HB ASN 5 1HB ASN 5 7.392 -0.370 2.767
37 1HD2 ASN 5 1HD2 ASN 5 9.227 0.892 2.958
38 2HD2 ASN 5 2HD2 ASN 5 9.717 1.577 4.473
39 H LEU 6 H LEU 6 7.029 0.348 0.435
40 HA LEU 6 HA LEU 6 4.821 0.124 -1.186
41 1HB LEU 6 2HB LEU 6 7.476 -1.133 -0.988
42 2HB LEU 6 1HB LEU 6 6.397 -1.434 -2.330
43 HG LEU 6 HG LEU 6 7.357 1.333 -1.585
44 1HD1 LEU 6 1HD1 LEU 6 8.979 1.128 -3.362
45 2HD1 LEU 6 2HD1 LEU 6 8.466 -0.527 -3.671
46 3HD1 LEU 6 3HD1 LEU 6 9.270 -0.123 -2.151
47 1HD2 LEU 6 1HD2 LEU 6 6.681 1.850 -3.861
48 2HD2 LEU 6 2HD2 LEU 6 5.327 1.215 -2.931
49 3HD2 LEU 6 3HD2 LEU 6 6.162 0.183 -4.094
50 H ALA 7 H ALA 7 3.418 -1.525 -1.544
51 HA ALA 7 HA ALA 7 2.918 -3.434 0.431
52 1HB ALA 7 1HB ALA 7 1.326 -4.363 -1.176
53 2HB ALA 7 2HB ALA 7 2.027 -3.335 -2.434
54 3HB ALA 7 3HB ALA 7 1.200 -2.610 -1.058
55 H ASN 8 H ASN 8 3.741 -5.290 0.791
56 HA ASN 8 HA ASN 8 6.106 -6.174 -0.465
57 1HB ASN 8 2HB ASN 8 4.316 -7.617 1.495
58 2HB ASN 8 1HB ASN 8 5.942 -8.116 1.050
59 1HD2 ASN 8 1HD2 ASN 8 4.007 -5.831 2.831
60 2HD2 ASN 8 2HD2 ASN 8 5.320 -5.140 3.708
61 H THR 9 H THR 9 2.784 -7.246 -0.614
62 HA THR 9 HA THR 9 3.657 -9.336 -2.478
63 HB THR 9 HB THR 9 1.329 -10.344 -1.894
64 HG1 THR 9 1HG THR 9 1.810 -8.497 0.223
65 1HG2 THR 9 1HG2 THR 9 3.613 -10.277 0.080
66 2HG2 THR 9 2HG2 THR 9 3.463 -11.380 -1.289
67 3HG2 THR 9 3HG2 THR 9 2.332 -11.488 0.061
68 H TYR 10 H TYR 10 2.738 -6.459 -2.929
69 HA TYR 10 HA TYR 10 0.666 -7.104 -4.909
70 1HB TYR 10 2HB TYR 10 0.297 -5.151 -3.324
71 2HB TYR 10 1HB TYR 10 1.627 -4.342 -4.147
72 HD1 TYR 10 1HD TYR 10 1.340 -3.759 -6.618
73 HD2 TYR 10 2HD TYR 10 -1.883 -5.110 -4.191
74 HE1 TYR 10 1HE TYR 10 -0.266 -2.841 -8.242
75 HE2 TYR 10 2HE TYR 10 -3.493 -4.202 -5.810
76 HH TYR 10 HH TYR 10 -2.627 -3.279 -8.894
77 H ARG 11 H ARG 11 1.723 -7.859 -6.537
78 HA ARG 11 HA ARG 11 4.192 -6.529 -7.373
79 1HB ARG 11 2HB ARG 11 4.300 -8.941 -6.752
80 2HB ARG 11 1HB ARG 11 3.191 -9.285 -8.065
81 1HG ARG 11 2HG ARG 11 4.812 -8.622 -9.694
82 2HG ARG 11 1HG ARG 11 5.896 -8.030 -8.432
83 1HD ARG 11 2HD ARG 11 6.060 -10.293 -7.520
84 2HD ARG 11 1HD ARG 11 5.008 -10.883 -8.802
85 HE ARG 11 HE ARG 11 6.917 -9.788 -10.228
86 1HH1 ARG 11 1HH1 ARG 11 7.268 -11.784 -7.305
87 2HH1 ARG 11 2HH1 ARG 11 8.699 -12.529 -7.826
88 1HH2 ARG 11 1HH2 ARG 11 8.913 -10.813 -10.917
89 2HH2 ARG 11 2HH2 ARG 11 9.667 -11.944 -9.893
90 H GLY 12 H GLY 12 4.145 -5.377 -9.158
91 1HA GLY 12 2HA GLY 12 3.445 -5.293 -11.509
92 2HA GLY 12 1HA GLY 12 1.831 -5.704 -10.937
93 HA PRO 13 HA PRO 13 2.291 -1.069 -10.906
94 1HB PRO 13 2HB PRO 13 0.536 -0.827 -13.166
95 2HB PRO 13 1HB PRO 13 2.239 -0.376 -13.060
96 1HG PRO 13 2HG PRO 13 1.287 -2.425 -14.621
97 2HG PRO 13 1HG PRO 13 2.943 -2.320 -13.995
98 1HD PRO 13 2HD PRO 13 0.622 -3.900 -12.947
99 2HD PRO 13 1HD PRO 13 2.329 -4.376 -13.099
100 H CYS 14 H CYS 14 0.826 0.234 -10.029
101 HA CYS 14 HA CYS 14 -1.832 -0.846 -9.475
102 1HB CYS 14 2HB CYS 14 -0.478 -0.534 -7.497
103 2HB CYS 14 1HB CYS 14 -0.078 1.108 -7.983
104 H PHE 15 H PHE 15 -3.573 0.380 -10.001
105 HA PHE 15 HA PHE 15 -3.055 3.012 -11.183
106 1HB PHE 15 2HB PHE 15 -4.989 0.918 -12.196
107 2HB PHE 15 1HB PHE 15 -4.851 2.553 -12.825
108 HD1 PHE 15 1HD PHE 15 -2.774 3.235 -14.018
109 HD2 PHE 15 2HD PHE 15 -3.493 -0.796 -12.864
110 HE1 PHE 15 1HE PHE 15 -1.054 2.474 -15.606
111 HE2 PHE 15 2HE PHE 15 -1.773 -1.564 -14.444
112 HZ PHE 15 HZ PHE 15 -0.551 0.072 -15.819
113 H THR 16 H THR 16 -4.620 1.403 -8.685
114 HA THR 16 HA THR 16 -6.461 3.620 -8.359
115 HB THR 16 HB THR 16 -7.431 0.745 -8.477
116 HG1 THR 16 1HG THR 16 -7.129 2.675 -10.279
117 1HG2 THR 16 1HG2 THR 16 -8.659 2.060 -6.783
118 2HG2 THR 16 2HG2 THR 16 -9.686 1.701 -8.171
119 3HG2 THR 16 3HG2 THR 16 -8.982 3.307 -7.989
120 H THR 17 H THR 17 -6.338 4.324 -6.291
121 HA THR 17 HA THR 17 -4.986 3.043 -4.230
122 HB THR 17 HB THR 17 -6.965 5.323 -4.225
123 HG1 THR 17 1HG THR 17 -5.252 6.523 -4.496
124 1HG2 THR 17 1HG2 THR 17 -6.091 5.880 -1.943
125 2HG2 THR 17 2HG2 THR 17 -5.310 4.287 -1.898
126 3HG2 THR 17 3HG2 THR 17 -7.055 4.412 -1.990
127 H GLY 18 H GLY 18 -8.407 2.998 -5.032
128 1HA GLY 18 2HA GLY 18 -9.373 1.701 -2.732
129 2HA GLY 18 1HA GLY 18 -10.110 1.614 -4.326
130 H SER 19 H SER 19 -7.527 0.429 -5.393
131 HA SER 19 HA SER 19 -8.191 -2.319 -4.807
132 1HB SER 19 2HB SER 19 -6.081 -1.198 -6.654
133 2HB SER 19 1HB SER 19 -6.786 -2.815 -6.702
134 HG SER 19 HG SER 19 -8.770 -1.882 -7.279
135 H CYS 20 H CYS 20 -5.602 0.019 -4.350
136 HA CYS 20 HA CYS 20 -3.687 -1.806 -3.320
137 1HB CYS 20 2HB CYS 20 -3.001 0.430 -4.272
138 2HB CYS 20 1HB CYS 20 -3.860 1.202 -3.006
139 H ASP 21 H ASP 21 -6.004 0.439 -1.795
140 HA ASP 21 HA ASP 21 -5.296 -0.019 0.878
141 1HB ASP 21 2HB ASP 21 -6.791 1.817 0.103
142 2HB ASP 21 1HB ASP 21 -8.062 0.631 -0.190
143 H ASP 22 H ASP 22 -7.582 -1.646 -1.210
144 HA ASP 22 HA ASP 22 -8.668 -3.543 0.525
145 1HB ASP 22 2HB ASP 22 -9.568 -3.369 -1.692
146 2HB ASP 22 1HB ASP 22 -8.002 -3.710 -2.415
147 H HIS 23 H HIS 23 -5.786 -3.756 -1.449
148 HA HIS 23 HA HIS 23 -4.995 -6.333 -0.686
149 1HB HIS 23 2HB HIS 23 -4.059 -5.350 -2.674
150 2HB HIS 23 1HB HIS 23 -3.417 -3.991 -1.762
151 HD1 HIS 23 1HD HIS 23 -2.789 -7.657 -2.415
152 HD2 HIS 23 2HD HIS 23 -0.954 -4.402 -0.607
153 HE1 HIS 23 1HE HIS 23 -0.531 -8.431 -1.800
154 HE2 HIS 23 2HE HIS 23 0.442 -6.527 -0.447
155 H CYS 24 H CYS 24 -3.967 -3.177 0.523
156 HA CYS 24 HA CYS 24 -2.132 -4.218 2.366
157 1HB CYS 24 2HB CYS 24 -3.497 -1.531 2.280
158 2HB CYS 24 1HB CYS 24 -2.101 -1.911 3.281
159 H LYS 25 H LYS 25 -5.621 -3.373 2.727
160 HA LYS 25 HA LYS 25 -5.577 -3.770 5.505
161 1HB LYS 25 2HB LYS 25 -7.570 -3.349 3.384
162 2HB LYS 25 1HB LYS 25 -8.105 -4.017 4.898
163 1HG LYS 25 2HG LYS 25 -7.081 -1.994 6.011
164 2HG LYS 25 1HG LYS 25 -6.804 -1.352 4.386
165 1HD LYS 25 2HD LYS 25 -9.147 -1.413 3.888
166 2HD LYS 25 1HD LYS 25 -9.501 -2.234 5.403
167 1HE LYS 25 2HE LYS 25 -10.078 0.114 5.519
168 2HE LYS 25 1HE LYS 25 -8.768 -0.264 6.634
169 1HZ LYS 25 1HZ LYS 25 -8.301 0.837 3.935
170 2HZ LYS 25 2HZ LYS 25 -7.218 0.767 5.245
171 3HZ LYS 25 3HZ LYS 25 -8.534 1.812 5.280
172 H ASN 26 H ASN 26 -6.898 -5.659 2.758
173 HA ASN 26 HA ASN 26 -7.807 -7.654 4.532
174 1HB ASN 26 2HB ASN 26 -9.145 -7.189 2.647
175 2HB ASN 26 1HB ASN 26 -7.804 -7.421 1.539
176 1HD2 ASN 26 1HD2 ASN 26 -7.370 -9.429 0.803
177 2HD2 ASN 26 2HD2 ASN 26 -8.289 -10.824 1.243
178 H LYS 27 H LYS 27 -5.035 -7.467 2.335
179 HA LYS 27 HA LYS 27 -4.478 -10.243 3.074
180 1HB LYS 27 2HB LYS 27 -4.361 -9.313 0.627
181 2HB LYS 27 1HB LYS 27 -2.815 -8.671 1.132
182 1HG LYS 27 2HG LYS 27 -2.997 -11.468 1.822
183 2HG LYS 27 1HG LYS 27 -3.360 -11.229 0.119
184 1HD LYS 27 2HD LYS 27 -1.044 -11.589 0.175
185 2HD LYS 27 1HD LYS 27 -1.202 -9.843 0.047
186 1HE LYS 27 2HE LYS 27 0.507 -10.304 1.668
187 2HE LYS 27 1HE LYS 27 -0.922 -9.723 2.527
188 1HZ LYS 27 1HZ LYS 27 -1.462 -12.014 3.098
189 2HZ LYS 27 2HZ LYS 27 0.074 -11.617 3.639
190 3HZ LYS 27 3HZ LYS 27 -0.096 -12.557 2.269
191 H GLU 28 H GLU 28 -2.944 -7.029 3.223
192 HA GLU 28 HA GLU 28 -0.766 -8.297 4.645
193 1HB GLU 28 2HB GLU 28 -0.923 -5.485 3.583
194 2HB GLU 28 1HB GLU 28 0.482 -6.157 4.403
195 1HG GLU 28 2HG GLU 28 0.199 -8.057 2.617
196 2HG GLU 28 1HG GLU 28 -0.680 -6.836 1.749
197 H HIS 29 H HIS 29 -3.559 -6.874 5.439
198 HA HIS 29 HA HIS 29 -4.521 -5.982 7.216
199 1HB HIS 29 2HB HIS 29 -4.018 -8.281 8.040
200 2HB HIS 29 1HB HIS 29 -2.541 -7.674 8.772
201 HD1 HIS 29 1HD HIS 29 -2.747 -6.935 11.148
202 HD2 HIS 29 2HD HIS 29 -6.429 -7.014 9.240
203 HE1 HIS 29 1HE HIS 29 -4.450 -6.477 12.936
204 HE2 HIS 29 2HE HIS 29 -6.548 -6.125 11.665
205 H LEU 30 H LEU 30 -3.000 -4.131 6.247
206 HA LEU 30 HA LEU 30 -1.892 -2.846 8.625
207 1HB LEU 30 2HB LEU 30 -1.324 -2.218 5.728
208 2HB LEU 30 1HB LEU 30 -0.714 -1.290 7.075
209 HG LEU 30 HG LEU 30 0.003 -4.142 6.395
210 1HD1 LEU 30 1HD1 LEU 30 2.274 -3.200 6.164
211 2HD1 LEU 30 2HD1 LEU 30 1.584 -1.584 6.352
212 3HD1 LEU 30 3HD1 LEU 30 1.123 -2.595 4.983
213 1HD2 LEU 30 1HD2 LEU 30 -0.101 -3.927 8.812
214 2HD2 LEU 30 2HD2 LEU 30 0.882 -2.468 8.752
215 3HD2 LEU 30 3HD2 LEU 30 1.578 -4.020 8.289
216 H ARG 31 H ARG 31 -2.024 -0.224 7.881
217 HA ARG 31 HA ARG 31 -4.647 0.359 8.790
218 1HB ARG 31 2HB ARG 31 -2.470 1.743 9.085
219 2HB ARG 31 1HB ARG 31 -2.759 2.276 7.494
220 1HG ARG 31 2HG ARG 31 -5.021 3.102 8.113
221 2HG ARG 31 1HG ARG 31 -4.609 2.777 9.798
222 1HD ARG 31 2HD ARG 31 -2.688 4.280 9.611
223 2HD ARG 31 1HD ARG 31 -3.103 4.607 7.931
224 HE ARG 31 HE ARG 31 -4.460 5.544 10.316
225 1HH1 ARG 31 1HH1 ARG 31 -4.767 5.219 6.785
226 2HH1 ARG 31 2HH1 ARG 31 -5.565 6.699 6.583
227 1HH2 ARG 31 1HH2 ARG 31 -5.601 7.570 10.011
228 2HH2 ARG 31 2HH2 ARG 31 -6.084 8.044 8.445
229 H SER 32 H SER 32 -3.017 1.353 5.795
230 HA SER 32 HA SER 32 -5.487 1.178 4.275
231 1HB SER 32 2HB SER 32 -3.898 3.747 4.316
232 2HB SER 32 1HB SER 32 -5.482 3.458 3.634
233 HG SER 32 HG SER 32 -6.395 3.760 5.481
234 H GLY 33 H GLY 33 -4.813 1.998 1.995
235 1HA GLY 33 2HA GLY 33 -2.010 1.580 1.435
236 2HA GLY 33 1HA GLY 33 -3.154 0.493 0.650
237 H ARG 34 H ARG 34 -1.369 2.746 -0.238
238 HA ARG 34 HA ARG 34 -3.429 4.164 -1.778
239 1HB ARG 34 2HB ARG 34 -1.037 5.359 -0.445
240 2HB ARG 34 1HB ARG 34 -1.811 6.120 -1.819
241 1HG ARG 34 2HG ARG 34 -3.864 6.106 -0.634
242 2HG ARG 34 1HG ARG 34 -3.070 5.515 0.848
243 1HD ARG 34 2HD ARG 34 -2.661 8.154 -0.601
244 2HD ARG 34 1HD ARG 34 -3.204 7.917 1.058
245 HE ARG 34 HE ARG 34 -0.706 6.809 1.020
246 1HH1 ARG 34 1HH1 ARG 34 -1.993 10.029 0.328
247 2HH1 ARG 34 2HH1 ARG 34 -0.515 10.833 0.571
248 1HH2 ARG 34 1HH2 ARG 34 1.245 7.828 1.326
249 2HH2 ARG 34 2HH2 ARG 34 1.455 9.524 1.167
250 H CYS 35 H CYS 35 -3.112 4.775 -3.602
251 HA CYS 35 HA CYS 35 -1.010 3.296 -5.002
252 1HB CYS 35 2HB CYS 35 -3.465 2.918 -5.481
253 2HB CYS 35 1HB CYS 35 -3.473 4.529 -6.198
254 H ARG 36 H ARG 36 0.621 4.572 -5.305
255 HA ARG 36 HA ARG 36 0.114 7.419 -5.397
256 1HB ARG 36 2HB ARG 36 2.568 5.856 -4.682
257 2HB ARG 36 1HB ARG 36 2.534 7.610 -4.833
258 1HG ARG 36 2HG ARG 36 0.837 7.751 -3.089
259 2HG ARG 36 1HG ARG 36 0.817 6.004 -2.959
260 1HD ARG 36 2HD ARG 36 2.150 7.180 -1.204
261 2HD ARG 36 1HD ARG 36 3.021 5.948 -2.109
262 HE ARG 36 HE ARG 36 3.404 8.419 -3.340
263 1HH1 ARG 36 1HH1 ARG 36 4.176 6.925 -0.214
264 2HH1 ARG 36 2HH1 ARG 36 5.773 7.517 -0.173
265 1HH2 ARG 36 1HH2 ARG 36 5.592 9.276 -3.267
266 2HH2 ARG 36 2HH2 ARG 36 6.596 8.918 -1.959
267 H ASP 37 H ASP 37 2.071 8.591 -6.545
268 HA ASP 37 HA ASP 37 1.416 8.368 -9.293
269 1HB ASP 37 2HB ASP 37 3.575 10.010 -7.983
270 2HB ASP 37 1HB ASP 37 3.062 10.166 -9.656
271 H ASP 38 H ASP 38 3.724 6.791 -7.505
272 HA ASP 38 HA ASP 38 5.495 6.331 -9.726
273 1HB ASP 38 2HB ASP 38 6.693 4.855 -8.057
274 2HB ASP 38 1HB ASP 38 6.622 6.568 -7.656
275 H PHE 39 H PHE 39 2.574 5.271 -9.033
276 HA PHE 39 HA PHE 39 1.235 3.634 -9.757
277 1HB PHE 39 2HB PHE 39 3.581 2.882 -11.535
278 2HB PHE 39 1HB PHE 39 1.989 2.155 -11.629
279 HD1 PHE 39 1HD PHE 39 3.965 5.118 -12.372
280 HD2 PHE 39 2HD PHE 39 0.065 3.420 -12.395
281 HE1 PHE 39 1HE PHE 39 3.192 6.913 -13.867
282 HE2 PHE 39 2HE PHE 39 -0.713 5.211 -13.889
283 HZ PHE 39 HZ PHE 39 0.852 6.959 -14.624
284 H ARG 40 H ARG 40 2.968 3.242 -7.489
285 HA ARG 40 HA ARG 40 2.778 0.339 -7.404
286 1HB ARG 40 2HB ARG 40 4.760 2.168 -6.063
287 2HB ARG 40 1HB ARG 40 4.546 0.479 -5.622
288 1HG ARG 40 2HG ARG 40 5.202 1.351 -8.415
289 2HG ARG 40 1HG ARG 40 6.446 1.000 -7.207
290 1HD ARG 40 2HD ARG 40 4.290 -0.930 -8.073
291 2HD ARG 40 1HD ARG 40 5.941 -0.925 -8.698
292 HE ARG 40 HE ARG 40 6.495 -1.094 -6.194
293 1HH1 ARG 40 1HH1 ARG 40 3.897 -2.896 -7.889
294 2HH1 ARG 40 2HH1 ARG 40 3.940 -4.173 -6.754
295 1HH2 ARG 40 1HH2 ARG 40 6.525 -2.939 -4.732
296 2HH2 ARG 40 2HH2 ARG 40 5.457 -4.229 -4.982
297 H CYS 41 H CYS 41 2.175 -0.546 -5.416
298 HA CYS 41 HA CYS 41 0.192 1.030 -4.043
299 1HB CYS 41 2HB CYS 41 -0.411 -1.081 -4.858
300 2HB CYS 41 1HB CYS 41 0.922 -1.907 -4.055
301 H TRP 42 H TRP 42 0.572 1.884 -2.182
302 HA TRP 42 HA TRP 42 2.938 1.116 -0.625
303 1HB TRP 42 2HB TRP 42 1.514 3.725 -1.060
304 2HB TRP 42 1HB TRP 42 2.608 3.473 0.285
305 HD1 TRP 42 HD TRP 42 2.609 3.665 -3.572
306 HE1 TRP 42 1HE TRP 42 4.967 4.353 -4.338
307 HE3 TRP 42 3HE TRP 42 4.971 3.568 0.971
308 HZ2 TRP 42 2HZ TRP 42 7.500 4.832 -3.118
309 HZ3 TRP 42 3HZ TRP 42 7.278 4.170 1.108
310 HH2 TRP 42 HH TRP 42 8.563 4.784 -0.878
311 H CYS 43 H CYS 43 2.363 0.204 1.273
312 HA CYS 43 HA CYS 43 -0.361 0.554 2.260
313 1HB CYS 43 2HB CYS 43 1.819 -1.353 3.147
314 2HB CYS 43 1HB CYS 43 0.158 -1.320 3.735
315 H THR 44 H THR 44 -0.717 1.630 4.239
316 HA THR 44 HA THR 44 1.682 2.775 5.400
317 HB THR 44 HB THR 44 0.330 4.455 4.183
318 HG1 THR 44 1HG THR 44 1.031 5.666 5.701
319 1HG2 THR 44 1HG2 THR 44 -1.843 3.380 4.338
320 2HG2 THR 44 2HG2 THR 44 -1.927 5.049 4.893
321 3HG2 THR 44 3HG2 THR 44 -1.908 3.729 6.067
322 H ARG 45 H ARG 45 1.659 2.843 7.662
323 HA ARG 45 HA ARG 45 -0.490 1.411 9.031
324 1HB ARG 45 2HB ARG 45 1.117 -0.111 10.107
325 2HB ARG 45 1HB ARG 45 1.096 -0.323 8.362
326 1HG ARG 45 2HG ARG 45 3.121 1.109 8.223
327 2HG ARG 45 1HG ARG 45 3.170 1.129 9.983
328 1HD ARG 45 2HD ARG 45 3.381 -1.337 9.969
329 2HD ARG 45 1HD ARG 45 3.391 -1.298 8.203
330 HE ARG 45 HE ARG 45 5.350 0.243 9.697
331 1HH1 ARG 45 1HH1 ARG 45 4.756 -2.640 7.682
332 2HH1 ARG 45 2HH1 ARG 45 6.332 -2.715 7.102
333 1HH2 ARG 45 1HH2 ARG 45 7.553 0.085 8.901
334 2HH2 ARG 45 2HH2 ARG 45 7.958 -1.150 7.805
335 H ASN 46 H ASN 46 -0.556 1.854 11.323
336 HA ASN 46 HA ASN 46 0.435 4.329 12.091
337 1HB ASN 46 2HB ASN 46 -0.894 2.030 13.489
338 2HB ASN 46 1HB ASN 46 -0.359 3.475 14.315
339 1HD2 ASN 46 1HD2 ASN 46 -2.729 2.092 12.181
340 2HD2 ASN 46 2HD2 ASN 46 -3.770 3.474 12.152
341 H CYS 47 H CYS 47 2.290 4.785 13.039
342 HA CYS 47 HA CYS 47 3.839 2.666 14.276
343 1HB CYS 47 2HB CYS 47 5.912 3.524 13.158
344 2HB CYS 47 1HB CYS 47 4.753 2.812 12.044
Start of MODEL 4
1 1H LYS 1 1HT LYS 1 4.912 11.034 12.404
2 2H LYS 1 2HT LYS 1 6.260 10.225 11.825
3 3H LYS 1 3HT LYS 1 6.169 10.579 13.464
4 HA LYS 1 HA LYS 1 5.807 8.305 12.971
5 1HB LYS 1 2HB LYS 1 3.519 7.997 13.989
6 2HB LYS 1 1HB LYS 1 4.660 8.894 14.940
7 1HG LYS 1 2HG LYS 1 2.492 9.911 15.169
8 2HG LYS 1 1HG LYS 1 3.457 10.998 14.179
9 1HD LYS 1 2HD LYS 1 2.345 10.181 12.169
10 2HD LYS 1 1HD LYS 1 1.463 8.990 13.121
11 1HE LYS 1 2HE LYS 1 1.236 11.974 13.481
12 2HE LYS 1 1HE LYS 1 0.111 10.997 12.540
13 1HZ LYS 1 1HZ LYS 1 0.636 10.685 15.453
14 2HZ LYS 1 2HZ LYS 1 -0.452 9.777 14.547
15 3HZ LYS 1 3HZ LYS 1 -0.715 11.411 14.776
16 H THR 2 H THR 2 3.898 6.852 12.471
17 HA THR 2 HA THR 2 3.019 5.620 10.870
18 HB THR 2 HB THR 2 1.597 6.611 9.086
19 HG1 THR 2 1HG THR 2 2.786 8.839 9.712
20 1HG2 THR 2 1HG2 THR 2 0.610 5.796 11.120
21 2HG2 THR 2 2HG2 THR 2 -0.227 7.277 10.653
22 3HG2 THR 2 3HG2 THR 2 0.964 7.308 11.952
23 H CYS 3 H CYS 3 3.801 4.482 9.465
24 HA CYS 3 HA CYS 3 5.926 5.590 7.772
25 1HB CYS 3 2HB CYS 3 5.595 2.861 9.057
26 2HB CYS 3 1HB CYS 3 6.878 3.255 7.918
27 H GLU 4 H GLU 4 6.113 4.538 5.605
28 HA GLU 4 HA GLU 4 3.798 2.999 4.805
29 1HB GLU 4 2HB GLU 4 3.360 5.498 4.529
30 2HB GLU 4 1HB GLU 4 4.637 5.477 3.339
31 1HG GLU 4 2HG GLU 4 3.454 4.027 1.939
32 2HG GLU 4 1HG GLU 4 2.235 3.730 3.181
33 H ASN 5 H ASN 5 4.355 1.523 3.314
34 HA ASN 5 HA ASN 5 6.755 1.821 1.697
35 1HB ASN 5 2HB ASN 5 6.445 -0.370 3.764
36 2HB ASN 5 1HB ASN 5 7.490 -0.532 2.360
37 1HD2 ASN 5 1HD2 ASN 5 9.357 0.690 2.259
38 2HD2 ASN 5 2HD2 ASN 5 10.041 1.485 3.620
39 H LEU 6 H LEU 6 6.920 0.259 0.048
40 HA LEU 6 HA LEU 6 4.676 -0.032 -1.424
41 1HB LEU 6 2HB LEU 6 7.294 -1.422 -1.310
42 2HB LEU 6 1HB LEU 6 6.114 -1.687 -2.566
43 HG LEU 6 HG LEU 6 7.296 1.026 -1.991
44 1HD1 LEU 6 1HD1 LEU 6 8.180 -1.047 -4.000
45 2HD1 LEU 6 2HD1 LEU 6 9.088 -0.542 -2.576
46 3HD1 LEU 6 3HD1 LEU 6 8.786 0.604 -3.885
47 1HD2 LEU 6 1HD2 LEU 6 6.537 1.487 -4.257
48 2HD2 LEU 6 2HD2 LEU 6 5.195 0.993 -3.230
49 3HD2 LEU 6 3HD2 LEU 6 5.893 -0.147 -4.383
50 H ALA 7 H ALA 7 3.204 -1.620 -1.668
51 HA ALA 7 HA ALA 7 2.701 -3.558 0.284
52 1HB ALA 7 1HB ALA 7 1.826 -3.404 -2.590
53 2HB ALA 7 2HB ALA 7 0.979 -2.723 -1.197
54 3HB ALA 7 3HB ALA 7 1.129 -4.473 -1.378
55 H ASN 8 H ASN 8 3.395 -5.581 0.522
56 HA ASN 8 HA ASN 8 5.837 -6.365 -0.667
57 1HB ASN 8 2HB ASN 8 3.892 -7.891 1.063
58 2HB ASN 8 1HB ASN 8 5.433 -8.547 0.540
59 1HD2 ASN 8 1HD2 ASN 8 3.832 -6.279 2.609
60 2HD2 ASN 8 2HD2 ASN 8 5.205 -5.897 3.590
61 H THR 9 H THR 9 2.523 -7.447 -1.102
62 HA THR 9 HA THR 9 3.503 -9.275 -3.175
63 HB THR 9 HB THR 9 1.109 -10.265 -2.845
64 HG1 THR 9 1HG THR 9 1.566 -9.229 -0.249
65 1HG2 THR 9 1HG2 THR 9 3.371 -10.594 -0.877
66 2HG2 THR 9 2HG2 THR 9 3.136 -11.499 -2.375
67 3HG2 THR 9 3HG2 THR 9 2.013 -11.699 -1.034
68 H TYR 10 H TYR 10 2.713 -6.363 -3.471
69 HA TYR 10 HA TYR 10 0.603 -6.784 -5.477
70 1HB TYR 10 2HB TYR 10 0.283 -4.988 -3.773
71 2HB TYR 10 1HB TYR 10 1.656 -4.135 -4.478
72 HD1 TYR 10 1HD TYR 10 1.428 -3.105 -6.728
73 HD2 TYR 10 2HD TYR 10 -1.875 -4.969 -4.807
74 HE1 TYR 10 1HE TYR 10 -0.103 -1.961 -8.262
75 HE2 TYR 10 2HE TYR 10 -3.419 -3.828 -6.346
76 HH TYR 10 HH TYR 10 -2.322 -2.239 -9.151
77 H ARG 11 H ARG 11 1.739 -7.663 -7.019
78 HA ARG 11 HA ARG 11 4.133 -6.325 -8.030
79 1HB ARG 11 2HB ARG 11 4.142 -8.791 -7.550
80 2HB ARG 11 1HB ARG 11 2.941 -8.987 -8.808
81 1HG ARG 11 2HG ARG 11 5.058 -9.628 -9.691
82 2HG ARG 11 1HG ARG 11 4.596 -8.105 -10.444
83 1HD ARG 11 2HD ARG 11 6.422 -8.269 -8.051
84 2HD ARG 11 1HD ARG 11 7.020 -8.331 -9.703
85 HE ARG 11 HE ARG 11 5.692 -6.104 -9.824
86 1HH1 ARG 11 1HH1 ARG 11 7.661 -7.207 -7.102
87 2HH1 ARG 11 2HH1 ARG 11 8.302 -5.675 -6.740
88 1HH2 ARG 11 1HH2 ARG 11 6.563 -3.951 -9.289
89 2HH2 ARG 11 2HH2 ARG 11 7.665 -3.795 -8.010
90 H GLY 12 H GLY 12 3.265 -4.605 -9.142
91 1HA GLY 12 2HA GLY 12 2.794 -4.646 -11.717
92 2HA GLY 12 1HA GLY 12 1.201 -5.089 -11.109
93 HA PRO 13 HA PRO 13 1.725 -0.398 -11.080
94 1HB PRO 13 2HB PRO 13 -0.422 -0.474 -13.102
95 2HB PRO 13 1HB PRO 13 1.087 0.440 -13.116
96 1HG PRO 13 2HG PRO 13 0.761 -1.626 -14.748
97 2HG PRO 13 1HG PRO 13 2.316 -1.324 -13.936
98 1HD PRO 13 2HD PRO 13 0.149 -3.274 -13.168
99 2HD PRO 13 1HD PRO 13 1.901 -3.552 -13.306
100 H CYS 14 H CYS 14 0.371 0.879 -10.014
101 HA CYS 14 HA CYS 14 -1.860 -0.369 -8.703
102 1HB CYS 14 2HB CYS 14 -0.210 0.801 -7.365
103 2HB CYS 14 1HB CYS 14 -0.476 2.274 -8.286
104 H PHE 15 H PHE 15 -3.888 0.317 -8.835
105 HA PHE 15 HA PHE 15 -4.554 1.930 -11.160
106 1HB PHE 15 2HB PHE 15 -6.405 0.375 -9.336
107 2HB PHE 15 1HB PHE 15 -6.812 1.069 -10.900
108 HD1 PHE 15 1HD PHE 15 -5.538 0.170 -12.948
109 HD2 PHE 15 2HD PHE 15 -5.649 -1.805 -9.182
110 HE1 PHE 15 1HE PHE 15 -4.885 -1.939 -14.032
111 HE2 PHE 15 2HE PHE 15 -4.994 -3.909 -10.256
112 HZ PHE 15 HZ PHE 15 -4.614 -3.983 -12.682
113 H THR 16 H THR 16 -5.970 1.636 -7.897
114 HA THR 16 HA THR 16 -5.771 4.507 -7.555
115 HB THR 16 HB THR 16 -8.168 4.463 -6.663
116 HG1 THR 16 1HG THR 16 -8.714 2.386 -8.436
117 1HG2 THR 16 1HG2 THR 16 -9.180 4.824 -8.890
118 2HG2 THR 16 2HG2 THR 16 -7.760 4.090 -9.638
119 3HG2 THR 16 3HG2 THR 16 -7.604 5.605 -8.755
120 H THR 17 H THR 17 -6.473 5.060 -5.255
121 HA THR 17 HA THR 17 -5.068 3.479 -3.453
122 HB THR 17 HB THR 17 -6.993 5.762 -3.124
123 HG1 THR 17 1HG THR 17 -5.191 6.928 -2.999
124 1HG2 THR 17 1HG2 THR 17 -6.251 5.960 -0.766
125 2HG2 THR 17 2HG2 THR 17 -5.384 4.428 -0.916
126 3HG2 THR 17 3HG2 THR 17 -7.136 4.463 -1.044
127 H GLY 18 H GLY 18 -8.453 3.459 -4.352
128 1HA GLY 18 2HA GLY 18 -9.442 1.895 -2.258
129 2HA GLY 18 1HA GLY 18 -10.122 1.957 -3.874
130 H SER 19 H SER 19 -7.693 0.903 -5.211
131 HA SER 19 HA SER 19 -8.248 -1.868 -4.656
132 1HB SER 19 2HB SER 19 -6.835 -2.287 -6.687
133 2HB SER 19 1HB SER 19 -8.186 -1.200 -6.994
134 HG SER 19 HG SER 19 -5.476 -0.756 -7.049
135 H CYS 20 H CYS 20 -5.674 0.417 -4.253
136 HA CYS 20 HA CYS 20 -3.654 -1.431 -3.519
137 1HB CYS 20 2HB CYS 20 -3.119 0.919 -4.244
138 2HB CYS 20 1HB CYS 20 -3.963 1.501 -2.866
139 H ASP 21 H ASP 21 -5.929 0.575 -1.624
140 HA ASP 21 HA ASP 21 -5.053 -0.190 0.928
141 1HB ASP 21 2HB ASP 21 -6.493 1.779 0.385
142 2HB ASP 21 1HB ASP 21 -7.844 0.675 0.131
143 H ASP 22 H ASP 22 -7.515 -1.462 -1.208
144 HA ASP 22 HA ASP 22 -8.694 -3.478 0.282
145 1HB ASP 22 2HB ASP 22 -9.460 -3.022 -1.961
146 2HB ASP 22 1HB ASP 22 -7.889 -3.430 -2.630
147 H HIS 23 H HIS 23 -5.740 -3.560 -1.564
148 HA HIS 23 HA HIS 23 -5.100 -6.268 -1.028
149 1HB HIS 23 2HB HIS 23 -4.235 -5.194 -3.020
150 2HB HIS 23 1HB HIS 23 -3.430 -3.969 -2.056
151 HD1 HIS 23 1HD HIS 23 -3.095 -7.572 -3.118
152 HD2 HIS 23 2HD HIS 23 -0.989 -4.688 -1.005
153 HE1 HIS 23 1HE HIS 23 -0.841 -8.547 -2.705
154 HE2 HIS 23 2HE HIS 23 0.255 -6.885 -1.129
155 H CYS 24 H CYS 24 -3.895 -3.205 0.318
156 HA CYS 24 HA CYS 24 -2.020 -4.444 2.013
157 1HB CYS 24 2HB CYS 24 -3.246 -1.689 2.180
158 2HB CYS 24 1HB CYS 24 -1.852 -2.215 3.114
159 H LYS 25 H LYS 25 -5.472 -3.658 2.537
160 HA LYS 25 HA LYS 25 -5.288 -4.195 5.296
161 1HB LYS 25 2HB LYS 25 -7.370 -3.534 3.332
162 2HB LYS 25 1HB LYS 25 -7.855 -4.312 4.813
163 1HG LYS 25 2HG LYS 25 -6.745 -2.455 6.063
164 2HG LYS 25 1HG LYS 25 -6.401 -1.687 4.507
165 1HD LYS 25 2HD LYS 25 -8.747 -1.533 4.006
166 2HD LYS 25 1HD LYS 25 -9.157 -2.445 5.455
167 1HE LYS 25 2HE LYS 25 -9.552 -0.064 5.749
168 2HE LYS 25 1HE LYS 25 -8.293 -0.638 6.839
169 1HZ LYS 25 1HZ LYS 25 -6.640 0.382 5.539
170 2HZ LYS 25 2HZ LYS 25 -7.870 1.540 5.648
171 3HZ LYS 25 3HZ LYS 25 -7.686 0.638 4.240
172 H ASN 26 H ASN 26 -6.987 -5.897 2.567
173 HA ASN 26 HA ASN 26 -7.785 -7.976 4.256
174 1HB ASN 26 2HB ASN 26 -9.054 -7.313 2.341
175 2HB ASN 26 1HB ASN 26 -7.708 -7.662 1.270
176 1HD2 ASN 26 1HD2 ASN 26 -8.850 -9.041 0.084
177 2HD2 ASN 26 2HD2 ASN 26 -9.350 -10.597 0.616
178 H LYS 27 H LYS 27 -5.159 -7.676 1.895
179 HA LYS 27 HA LYS 27 -4.496 -10.465 2.316
180 1HB LYS 27 2HB LYS 27 -4.483 -9.210 0.038
181 2HB LYS 27 1HB LYS 27 -2.968 -8.528 0.578
182 1HG LYS 27 2HG LYS 27 -3.489 -11.491 0.238
183 2HG LYS 27 1HG LYS 27 -2.712 -10.463 -0.957
184 1HD LYS 27 2HD LYS 27 -0.875 -10.037 0.581
185 2HD LYS 27 1HD LYS 27 -1.687 -10.971 1.838
186 1HE LYS 27 2HE LYS 27 -1.555 -12.966 0.370
187 2HE LYS 27 1HE LYS 27 -0.664 -11.996 -0.802
188 1HZ LYS 27 1HZ LYS 27 1.070 -11.662 0.855
189 2HZ LYS 27 2HZ LYS 27 0.804 -13.317 0.603
190 3HZ LYS 27 3HZ LYS 27 0.201 -12.569 1.971
191 H GLU 28 H GLU 28 -3.022 -7.251 2.875
192 HA GLU 28 HA GLU 28 -0.805 -8.682 4.083
193 1HB GLU 28 2HB GLU 28 -0.885 -5.803 3.203
194 2HB GLU 28 1HB GLU 28 0.515 -6.609 3.911
195 1HG GLU 28 2HG GLU 28 0.197 -8.333 2.027
196 2HG GLU 28 1HG GLU 28 -0.805 -7.116 1.283
197 H HIS 29 H HIS 29 -3.522 -7.122 5.096
198 HA HIS 29 HA HIS 29 -4.348 -6.581 7.071
199 1HB HIS 29 2HB HIS 29 -2.123 -8.373 8.041
200 2HB HIS 29 1HB HIS 29 -3.371 -7.738 9.104
201 HD1 HIS 29 1HD HIS 29 -2.613 -10.503 6.881
202 HD2 HIS 29 2HD HIS 29 -6.050 -8.665 8.305
203 HE1 HIS 29 1HE HIS 29 -4.457 -12.144 6.505
204 HE2 HIS 29 2HE HIS 29 -6.425 -11.120 7.685
205 H LEU 30 H LEU 30 -2.650 -4.687 6.024
206 HA LEU 30 HA LEU 30 -1.254 -3.605 8.352
207 1HB LEU 30 2HB LEU 30 -1.031 -2.922 5.425
208 2HB LEU 30 1HB LEU 30 -0.180 -2.060 6.692
209 HG LEU 30 HG LEU 30 0.192 -4.981 6.004
210 1HD1 LEU 30 1HD1 LEU 30 1.983 -2.605 5.555
211 2HD1 LEU 30 2HD1 LEU 30 1.124 -3.517 4.312
212 3HD1 LEU 30 3HD1 LEU 30 2.405 -4.287 5.245
213 1HD2 LEU 30 1HD2 LEU 30 1.611 -3.234 8.016
214 2HD2 LEU 30 2HD2 LEU 30 2.074 -4.875 7.568
215 3HD2 LEU 30 3HD2 LEU 30 0.539 -4.591 8.378
216 H ARG 31 H ARG 31 -1.295 -0.895 7.554
217 HA ARG 31 HA ARG 31 -3.742 -0.146 8.795
218 1HB ARG 31 2HB ARG 31 -1.535 1.093 9.001
219 2HB ARG 31 1HB ARG 31 -1.712 1.551 7.373
220 1HG ARG 31 2HG ARG 31 -2.345 3.406 8.772
221 2HG ARG 31 1HG ARG 31 -3.729 2.837 7.843
222 1HD ARG 31 2HD ARG 31 -3.152 1.970 10.627
223 2HD ARG 31 1HD ARG 31 -4.121 3.409 10.294
224 HE ARG 31 HE ARG 31 -5.476 1.646 8.895
225 1HH1 ARG 31 1HH1 ARG 31 -4.103 1.170 12.137
226 2HH1 ARG 31 2HH1 ARG 31 -5.341 0.128 12.657
227 1HH2 ARG 31 1HH2 ARG 31 -7.150 0.210 9.603
228 2HH2 ARG 31 2HH2 ARG 31 -7.101 -0.461 11.173
229 H SER 32 H SER 32 -2.413 0.886 5.699
230 HA SER 32 HA SER 32 -5.010 0.801 4.434
231 1HB SER 32 2HB SER 32 -3.417 3.361 4.614
232 2HB SER 32 1HB SER 32 -5.004 3.126 3.917
233 HG SER 32 HG SER 32 -5.844 3.483 5.781
234 H GLY 33 H GLY 33 -4.539 1.841 2.214
235 1HA GLY 33 2HA GLY 33 -1.801 1.463 1.357
236 2HA GLY 33 1HA GLY 33 -3.025 0.477 0.565
237 H ARG 34 H ARG 34 -1.282 2.921 0.004
238 HA ARG 34 HA ARG 34 -3.417 4.376 -1.378
239 1HB ARG 34 2HB ARG 34 -1.139 5.577 0.144
240 2HB ARG 34 1HB ARG 34 -1.932 6.436 -1.169
241 1HG ARG 34 2HG ARG 34 -4.012 6.240 -0.082
242 2HG ARG 34 1HG ARG 34 -3.292 5.385 1.298
243 1HD ARG 34 2HD ARG 34 -2.644 8.198 0.387
244 2HD ARG 34 1HD ARG 34 -3.604 7.783 1.806
245 HE ARG 34 HE ARG 34 -1.143 6.518 2.096
246 1HH1 ARG 34 1HH1 ARG 34 -2.202 9.886 1.769
247 2HH1 ARG 34 2HH1 ARG 34 -1.020 10.503 2.811
248 1HH2 ARG 34 1HH2 ARG 34 0.476 7.322 3.399
249 2HH2 ARG 34 2HH2 ARG 34 0.595 8.984 3.817
250 H CYS 35 H CYS 35 -3.173 5.239 -3.117
251 HA CYS 35 HA CYS 35 -1.170 3.871 -4.727
252 1HB CYS 35 2HB CYS 35 -3.685 3.778 -5.123
253 2HB CYS 35 1HB CYS 35 -3.519 5.423 -5.716
254 H ARG 36 H ARG 36 0.537 5.025 -5.018
255 HA ARG 36 HA ARG 36 0.338 7.922 -4.906
256 1HB ARG 36 2HB ARG 36 2.777 6.136 -4.842
257 2HB ARG 36 1HB ARG 36 2.770 7.876 -4.572
258 1HG ARG 36 2HG ARG 36 1.257 7.494 -2.614
259 2HG ARG 36 1HG ARG 36 1.423 5.784 -2.899
260 1HD ARG 36 2HD ARG 36 2.880 6.491 -1.114
261 2HD ARG 36 1HD ARG 36 3.794 5.892 -2.483
262 HE ARG 36 HE ARG 36 3.909 8.463 -2.973
263 1HH1 ARG 36 1HH1 ARG 36 4.034 6.935 0.234
264 2HH1 ARG 36 2HH1 ARG 36 5.276 7.924 0.823
265 1HH2 ARG 36 1HH2 ARG 36 5.581 9.859 -2.166
266 2HH2 ARG 36 2HH2 ARG 36 6.146 9.692 -0.554
267 H ASP 37 H ASP 37 1.905 9.083 -6.449
268 HA ASP 37 HA ASP 37 1.165 8.308 -9.136
269 1HB ASP 37 2HB ASP 37 2.945 10.616 -8.289
270 2HB ASP 37 1HB ASP 37 2.187 10.409 -9.864
271 H ASP 38 H ASP 38 3.276 7.237 -7.245
272 HA ASP 38 HA ASP 38 5.623 6.740 -8.815
273 1HB ASP 38 2HB ASP 38 5.704 6.753 -6.383
274 2HB ASP 38 1HB ASP 38 4.418 5.566 -6.298
275 H PHE 39 H PHE 39 2.426 5.592 -8.562
276 HA PHE 39 HA PHE 39 1.158 4.105 -9.537
277 1HB PHE 39 2HB PHE 39 3.460 3.696 -11.461
278 2HB PHE 39 1HB PHE 39 1.930 2.869 -11.587
279 HD1 PHE 39 1HD PHE 39 -0.140 4.050 -12.048
280 HD2 PHE 39 2HD PHE 39 3.609 6.060 -12.047
281 HE1 PHE 39 1HE PHE 39 -1.158 5.932 -13.254
282 HE2 PHE 39 2HE PHE 39 2.591 7.946 -13.262
283 HZ PHE 39 HZ PHE 39 0.212 7.884 -13.862
284 H ARG 40 H ARG 40 3.122 3.322 -7.429
285 HA ARG 40 HA ARG 40 2.440 0.503 -7.674
286 1HB ARG 40 2HB ARG 40 4.828 1.698 -6.232
287 2HB ARG 40 1HB ARG 40 4.365 0.004 -6.176
288 1HG ARG 40 2HG ARG 40 4.717 -0.167 -8.600
289 2HG ARG 40 1HG ARG 40 5.217 1.523 -8.632
290 1HD ARG 40 2HD ARG 40 7.180 0.139 -8.611
291 2HD ARG 40 1HD ARG 40 7.036 0.959 -7.058
292 HE ARG 40 HE ARG 40 5.800 -1.540 -6.882
293 1HH1 ARG 40 1HH1 ARG 40 9.054 -0.190 -7.226
294 2HH1 ARG 40 2HH1 ARG 40 9.861 -1.460 -6.455
295 1HH2 ARG 40 1HH2 ARG 40 6.894 -3.301 -5.734
296 2HH2 ARG 40 2HH2 ARG 40 8.593 -3.285 -5.565
297 H CYS 41 H CYS 41 1.922 -0.505 -5.600
298 HA CYS 41 HA CYS 41 0.187 1.233 -4.121
299 1HB CYS 41 2HB CYS 41 -0.640 -0.824 -4.868
300 2HB CYS 41 1HB CYS 41 0.678 -1.752 -4.148
301 H TRP 42 H TRP 42 0.608 2.027 -2.207
302 HA TRP 42 HA TRP 42 2.965 1.100 -0.744
303 1HB TRP 42 2HB TRP 42 1.785 3.841 -1.131
304 2HB TRP 42 1HB TRP 42 2.869 3.481 0.199
305 HD1 TRP 42 HD TRP 42 2.893 3.431 -3.681
306 HE1 TRP 42 1HE TRP 42 5.336 3.913 -4.454
307 HE3 TRP 42 3HE TRP 42 5.130 3.688 0.894
308 HZ2 TRP 42 2HZ TRP 42 7.827 4.391 -3.235
309 HZ3 TRP 42 3HZ TRP 42 7.484 4.184 1.041
310 HH2 TRP 42 HH TRP 42 8.849 4.533 -0.989
311 H CYS 43 H CYS 43 2.391 0.104 1.062
312 HA CYS 43 HA CYS 43 -0.262 0.435 2.179
313 1HB CYS 43 2HB CYS 43 2.026 -1.350 3.006
314 2HB CYS 43 1HB CYS 43 0.387 -1.409 3.632
315 H THR 44 H THR 44 -0.640 1.598 3.981
316 HA THR 44 HA THR 44 1.520 3.106 5.130
317 HB THR 44 HB THR 44 -1.446 3.050 5.790
318 HG1 THR 44 1HG THR 44 -0.053 4.602 3.804
319 1HG2 THR 44 1HG2 THR 44 -1.045 5.347 6.630
320 2HG2 THR 44 2HG2 THR 44 0.675 5.167 6.275
321 3HG2 THR 44 3HG2 THR 44 -0.091 4.148 7.496
322 H ARG 45 H ARG 45 2.132 2.759 7.307
323 HA ARG 45 HA ARG 45 0.728 0.756 8.804
324 1HB ARG 45 2HB ARG 45 2.895 -0.422 9.398
325 2HB ARG 45 1HB ARG 45 2.317 -0.688 7.767
326 1HG ARG 45 2HG ARG 45 3.987 0.990 6.967
327 2HG ARG 45 1HG ARG 45 4.588 1.099 8.627
328 1HD ARG 45 2HD ARG 45 5.132 -1.274 8.616
329 2HD ARG 45 1HD ARG 45 4.460 -1.437 7.000
330 HE ARG 45 HE ARG 45 6.412 0.415 6.672
331 1HH1 ARG 45 1HH1 ARG 45 6.429 -2.836 8.097
332 2HH1 ARG 45 2HH1 ARG 45 8.038 -3.168 7.668
333 1HH2 ARG 45 1HH2 ARG 45 8.624 -0.086 6.052
334 2HH2 ARG 45 2HH2 ARG 45 9.303 -1.591 6.478
335 H ASN 46 H ASN 46 0.844 0.956 10.951
336 HA ASN 46 HA ASN 46 1.313 3.557 11.910
337 1HB ASN 46 2HB ASN 46 0.217 1.000 12.883
338 2HB ASN 46 1HB ASN 46 0.864 2.090 14.086
339 1HD2 ASN 46 1HD2 ASN 46 -0.624 3.379 11.174
340 2HD2 ASN 46 2HD2 ASN 46 -2.069 3.922 11.968
341 H CYS 47 H CYS 47 2.952 4.333 13.066
342 HA CYS 47 HA CYS 47 4.781 2.755 14.476
343 1HB CYS 47 2HB CYS 47 6.824 3.446 13.262
344 2HB CYS 47 1HB CYS 47 5.773 2.554 12.176
Start of MODEL 5
1 1H LYS 1 1HT LYS 1 2.143 8.108 15.632
2 2H LYS 1 2HT LYS 1 2.689 6.923 14.539
3 3H LYS 1 3HT LYS 1 1.064 7.065 14.866
4 HA LYS 1 HA LYS 1 0.986 9.233 13.790
5 1HB LYS 1 2HB LYS 1 3.837 8.549 13.031
6 2HB LYS 1 1HB LYS 1 2.927 9.930 12.473
7 1HG LYS 1 2HG LYS 1 2.886 10.766 14.820
8 2HG LYS 1 1HG LYS 1 3.965 9.431 15.248
9 1HD LYS 1 2HD LYS 1 5.547 10.251 13.494
10 2HD LYS 1 1HD LYS 1 4.500 11.640 13.268
11 1HE LYS 1 2HE LYS 1 6.325 12.254 14.722
12 2HE LYS 1 1HE LYS 1 4.816 12.246 15.633
13 1HZ LYS 1 1HZ LYS 1 6.820 10.049 15.651
14 2HZ LYS 1 2HZ LYS 1 5.426 10.109 16.587
15 3HZ LYS 1 3HZ LYS 1 6.656 11.219 16.835
16 H THR 2 H THR 2 1.563 9.285 11.208
17 HA THR 2 HA THR 2 0.986 6.580 10.302
18 HB THR 2 HB THR 2 0.122 7.874 8.251
19 HG1 THR 2 1HG THR 2 0.257 9.952 8.515
20 1HG2 THR 2 1HG2 THR 2 -1.377 7.831 10.866
21 2HG2 THR 2 2HG2 THR 2 -1.294 6.520 9.687
22 3HG2 THR 2 3HG2 THR 2 -2.129 8.019 9.284
23 H CYS 3 H CYS 3 2.166 5.708 8.798
24 HA CYS 3 HA CYS 3 4.124 7.316 7.354
25 1HB CYS 3 2HB CYS 3 4.618 4.688 8.783
26 2HB CYS 3 1HB CYS 3 5.702 5.281 7.530
27 H GLU 4 H GLU 4 4.486 6.468 5.231
28 HA GLU 4 HA GLU 4 2.574 4.392 4.478
29 1HB GLU 4 2HB GLU 4 1.868 6.758 3.897
30 2HB GLU 4 1HB GLU 4 3.288 6.850 2.893
31 1HG GLU 4 2HG GLU 4 2.494 5.263 1.404
32 2HG GLU 4 1HG GLU 4 1.190 4.756 2.491
33 H ASN 5 H ASN 5 3.486 2.800 3.367
34 HA ASN 5 HA ASN 5 6.035 3.193 1.997
35 1HB ASN 5 2HB ASN 5 5.656 1.209 4.259
36 2HB ASN 5 1HB ASN 5 6.961 1.124 3.086
37 1HD2 ASN 5 1HD2 ASN 5 8.539 2.716 3.122
38 2HD2 ASN 5 2HD2 ASN 5 8.849 3.687 4.512
39 H LEU 6 H LEU 6 6.596 1.444 0.646
40 HA LEU 6 HA LEU 6 4.575 0.676 -1.007
41 1HB LEU 6 2HB LEU 6 7.320 -0.268 -0.468
42 2HB LEU 6 1HB LEU 6 6.357 -0.838 -1.807
43 HG LEU 6 HG LEU 6 7.175 2.047 -1.401
44 1HD1 LEU 6 1HD1 LEU 6 8.333 -0.056 -3.236
45 2HD1 LEU 6 2HD1 LEU 6 9.125 0.612 -1.810
46 3HD1 LEU 6 3HD1 LEU 6 8.788 1.647 -3.196
47 1HD2 LEU 6 1HD2 LEU 6 6.483 2.283 -3.729
48 2HD2 LEU 6 2HD2 LEU 6 5.143 1.764 -2.712
49 3HD2 LEU 6 3HD2 LEU 6 5.967 0.599 -3.752
50 H ALA 7 H ALA 7 3.417 -1.168 -1.238
51 HA ALA 7 HA ALA 7 3.154 -3.049 0.864
52 1HB ALA 7 1HB ALA 7 1.325 -2.564 -0.679
53 2HB ALA 7 2HB ALA 7 1.751 -4.277 -0.742
54 3HB ALA 7 3HB ALA 7 2.283 -3.186 -2.021
55 H ASN 8 H ASN 8 4.090 -5.009 1.084
56 HA ASN 8 HA ASN 8 6.597 -5.281 -0.342
57 1HB ASN 8 2HB ASN 8 5.518 -6.768 2.042
58 2HB ASN 8 1HB ASN 8 7.112 -7.044 1.347
59 1HD2 ASN 8 1HD2 ASN 8 5.161 -5.006 3.320
60 2HD2 ASN 8 2HD2 ASN 8 6.415 -3.929 3.809
61 H THR 9 H THR 9 3.584 -7.072 -0.000
62 HA THR 9 HA THR 9 4.740 -9.187 -1.655
63 HB THR 9 HB THR 9 1.986 -9.373 -0.473
64 HG1 THR 9 1HG THR 9 2.993 -8.784 1.360
65 1HG2 THR 9 1HG2 THR 9 2.860 -11.186 -1.863
66 2HG2 THR 9 2HG2 THR 9 2.708 -11.737 -0.192
67 3HG2 THR 9 3HG2 THR 9 4.284 -11.296 -0.838
68 H TYR 10 H TYR 10 3.633 -6.447 -2.427
69 HA TYR 10 HA TYR 10 1.503 -7.295 -4.264
70 1HB TYR 10 2HB TYR 10 1.237 -5.150 -2.955
71 2HB TYR 10 1HB TYR 10 2.573 -4.474 -3.864
72 HD1 TYR 10 1HD TYR 10 -0.938 -5.024 -3.732
73 HD2 TYR 10 2HD TYR 10 2.252 -4.315 -6.443
74 HE1 TYR 10 1HE TYR 10 -2.548 -4.273 -5.416
75 HE2 TYR 10 2HE TYR 10 0.648 -3.560 -8.143
76 HH TYR 10 HH TYR 10 -1.672 -3.845 -8.678
77 H ARG 11 H ARG 11 2.240 -8.162 -6.034
78 HA ARG 11 HA ARG 11 4.826 -7.305 -7.055
79 1HB ARG 11 2HB ARG 11 4.595 -9.693 -6.665
80 2HB ARG 11 1HB ARG 11 3.145 -9.744 -7.654
81 1HG ARG 11 2HG ARG 11 5.017 -10.648 -8.882
82 2HG ARG 11 1HG ARG 11 4.484 -9.141 -9.622
83 1HD ARG 11 2HD ARG 11 6.309 -7.962 -8.438
84 2HD ARG 11 1HD ARG 11 6.874 -9.512 -7.815
85 HE ARG 11 HE ARG 11 6.574 -9.406 -10.660
86 1HH1 ARG 11 1HH1 ARG 11 8.833 -8.854 -7.978
87 2HH1 ARG 11 2HH1 ARG 11 10.219 -8.898 -8.963
88 1HH2 ARG 11 1HH2 ARG 11 8.509 -9.487 -11.992
89 2HH2 ARG 11 2HH2 ARG 11 10.039 -9.265 -11.278
90 H GLY 12 H GLY 12 4.868 -5.946 -8.697
91 1HA GLY 12 2HA GLY 12 4.409 -5.586 -11.003
92 2HA GLY 12 1HA GLY 12 2.754 -6.127 -10.722
93 HA PRO 13 HA PRO 13 2.868 -1.494 -10.384
94 1HB PRO 13 2HB PRO 13 1.055 -1.426 -12.647
95 2HB PRO 13 1HB PRO 13 2.640 -0.664 -12.483
96 1HG PRO 13 2HG PRO 13 2.159 -2.725 -14.176
97 2HG PRO 13 1HG PRO 13 3.736 -2.439 -13.414
98 1HD PRO 13 2HD PRO 13 1.584 -4.380 -12.646
99 2HD PRO 13 1HD PRO 13 3.345 -4.618 -12.709
100 H CYS 14 H CYS 14 1.149 -0.246 -9.688
101 HA CYS 14 HA CYS 14 -1.087 -1.740 -8.689
102 1HB CYS 14 2HB CYS 14 0.107 -0.296 -7.162
103 2HB CYS 14 1HB CYS 14 -0.085 1.069 -8.251
104 H PHE 15 H PHE 15 -3.178 -1.031 -9.050
105 HA PHE 15 HA PHE 15 -3.515 0.434 -11.571
106 1HB PHE 15 2HB PHE 15 -5.349 -1.690 -10.436
107 2HB PHE 15 1HB PHE 15 -5.533 -0.872 -11.982
108 HD1 PHE 15 1HD PHE 15 -4.146 -3.685 -10.307
109 HD2 PHE 15 2HD PHE 15 -3.616 -1.146 -13.682
110 HE1 PHE 15 1HE PHE 15 -2.756 -5.403 -11.377
111 HE2 PHE 15 2HE PHE 15 -2.227 -2.865 -14.760
112 HZ PHE 15 HZ PHE 15 -1.791 -4.998 -13.605
113 H THR 16 H THR 16 -5.249 -0.273 -8.495
114 HA THR 16 HA THR 16 -6.247 2.468 -8.586
115 HB THR 16 HB THR 16 -8.023 0.077 -8.043
116 HG1 THR 16 1HG THR 16 -7.366 1.472 -10.401
117 1HG2 THR 16 1HG2 THR 16 -9.811 1.737 -8.404
118 2HG2 THR 16 2HG2 THR 16 -8.582 2.994 -8.571
119 3HG2 THR 16 3HG2 THR 16 -8.780 2.147 -7.035
120 H THR 17 H THR 17 -6.814 3.333 -6.511
121 HA THR 17 HA THR 17 -5.266 2.611 -4.349
122 HB THR 17 HB THR 17 -7.725 4.319 -4.571
123 HG1 THR 17 1HG THR 17 -6.254 5.515 -5.444
124 1HG2 THR 17 1HG2 THR 17 -5.893 4.059 -2.157
125 2HG2 THR 17 2HG2 THR 17 -7.590 3.615 -2.234
126 3HG2 THR 17 3HG2 THR 17 -7.122 5.306 -2.373
127 H GLY 18 H GLY 18 -8.748 1.892 -4.863
128 1HA GLY 18 2HA GLY 18 -9.202 0.704 -2.390
129 2HA GLY 18 1HA GLY 18 -10.113 0.390 -3.854
130 H SER 19 H SER 19 -7.702 -0.625 -5.227
131 HA SER 19 HA SER 19 -7.951 -3.358 -4.378
132 1HB SER 19 2HB SER 19 -7.839 -2.690 -6.796
133 2HB SER 19 1HB SER 19 -6.186 -2.150 -6.538
134 HG SER 19 HG SER 19 -7.210 -4.778 -6.304
135 H CYS 20 H CYS 20 -5.508 -0.827 -4.378
136 HA CYS 20 HA CYS 20 -3.418 -2.343 -3.222
137 1HB CYS 20 2HB CYS 20 -2.992 -0.126 -4.328
138 2HB CYS 20 1HB CYS 20 -3.977 0.628 -3.137
139 H ASP 21 H ASP 21 -5.960 -0.281 -1.904
140 HA ASP 21 HA ASP 21 -5.322 -0.392 0.810
141 1HB ASP 21 2HB ASP 21 -6.901 1.169 -0.202
142 2HB ASP 21 1HB ASP 21 -8.061 -0.141 -0.483
143 H ASP 22 H ASP 22 -7.478 -2.422 -1.114
144 HA ASP 22 HA ASP 22 -8.264 -4.274 0.817
145 1HB ASP 22 2HB ASP 22 -9.309 -4.349 -1.336
146 2HB ASP 22 1HB ASP 22 -7.768 -4.570 -2.149
147 H HIS 23 H HIS 23 -5.526 -4.416 -1.402
148 HA HIS 23 HA HIS 23 -4.382 -6.794 -0.521
149 1HB HIS 23 2HB HIS 23 -3.653 -5.790 -2.606
150 2HB HIS 23 1HB HIS 23 -3.076 -4.361 -1.760
151 HD1 HIS 23 1HD HIS 23 -2.199 -7.977 -2.358
152 HD2 HIS 23 2HD HIS 23 -0.530 -4.554 -0.709
153 HE1 HIS 23 1HE HIS 23 0.179 -8.567 -1.843
154 HE2 HIS 23 2HE HIS 23 1.013 -6.584 -0.529
155 H CYS 24 H CYS 24 -3.687 -3.498 0.530
156 HA CYS 24 HA CYS 24 -1.680 -4.245 2.293
157 1HB CYS 24 2HB CYS 24 -3.329 -1.736 2.144
158 2HB CYS 24 1HB CYS 24 -1.960 -1.903 3.229
159 H LYS 25 H LYS 25 -5.210 -3.747 2.882
160 HA LYS 25 HA LYS 25 -4.962 -4.037 5.650
161 1HB LYS 25 2HB LYS 25 -7.221 -4.126 3.700
162 2HB LYS 25 1HB LYS 25 -7.397 -4.212 5.439
163 1HG LYS 25 2HG LYS 25 -6.412 -2.024 5.692
164 2HG LYS 25 1HG LYS 25 -6.079 -1.960 3.965
165 1HD LYS 25 2HD LYS 25 -8.014 -0.633 4.499
166 2HD LYS 25 1HD LYS 25 -8.472 -2.013 3.506
167 1HE LYS 25 2HE LYS 25 -9.307 -3.173 5.483
168 2HE LYS 25 1HE LYS 25 -8.774 -1.843 6.506
169 1HZ LYS 25 1HZ LYS 25 -10.838 -1.653 4.391
170 2HZ LYS 25 2HZ LYS 25 -10.343 -0.391 5.377
171 3HZ LYS 25 3HZ LYS 25 -11.124 -1.730 6.041
172 H ASN 26 H ASN 26 -6.056 -6.199 3.005
173 HA ASN 26 HA ASN 26 -6.775 -8.267 4.803
174 1HB ASN 26 2HB ASN 26 -7.976 -7.997 2.732
175 2HB ASN 26 1HB ASN 26 -6.487 -8.153 1.812
176 1HD2 ASN 26 1HD2 ASN 26 -5.663 -10.192 1.408
177 2HD2 ASN 26 2HD2 ASN 26 -6.515 -11.623 1.809
178 H LYS 27 H LYS 27 -4.174 -7.901 2.422
179 HA LYS 27 HA LYS 27 -3.077 -10.417 3.300
180 1HB LYS 27 2HB LYS 27 -3.082 -10.227 0.956
181 2HB LYS 27 1HB LYS 27 -2.449 -8.592 1.000
182 1HG LYS 27 2HG LYS 27 -0.804 -10.203 0.183
183 2HG LYS 27 1HG LYS 27 -0.276 -9.410 1.663
184 1HD LYS 27 2HD LYS 27 -1.100 -11.440 2.912
185 2HD LYS 27 1HD LYS 27 -1.322 -12.218 1.338
186 1HE LYS 27 2HE LYS 27 0.832 -12.825 2.284
187 2HE LYS 27 1HE LYS 27 1.032 -11.843 0.833
188 1HZ LYS 27 1HZ LYS 27 1.347 -10.913 3.656
189 2HZ LYS 27 2HZ LYS 27 1.420 -9.873 2.340
190 3HZ LYS 27 3HZ LYS 27 2.558 -11.079 2.517
191 H GLU 28 H GLU 28 -1.901 -7.030 3.137
192 HA GLU 28 HA GLU 28 0.590 -7.796 4.141
193 1HB GLU 28 2HB GLU 28 -0.593 -5.112 3.846
194 2HB GLU 28 1HB GLU 28 1.119 -5.514 4.025
195 1HG GLU 28 2HG GLU 28 -0.651 -6.485 1.803
196 2HG GLU 28 1HG GLU 28 0.457 -5.133 1.811
197 H HIS 29 H HIS 29 -2.397 -6.869 5.405
198 HA HIS 29 HA HIS 29 -3.326 -6.665 7.361
199 1HB HIS 29 2HB HIS 29 -0.717 -7.783 8.397
200 2HB HIS 29 1HB HIS 29 -2.072 -7.418 9.460
201 HD1 HIS 29 1HD HIS 29 -0.651 -10.185 7.798
202 HD2 HIS 29 2HD HIS 29 -4.535 -8.827 8.328
203 HE1 HIS 29 1HE HIS 29 -2.125 -12.176 7.367
204 HE2 HIS 29 2HE HIS 29 -4.478 -11.324 7.683
205 H LEU 30 H LEU 30 -2.063 -4.519 6.162
206 HA LEU 30 HA LEU 30 -1.150 -2.896 8.388
207 1HB LEU 30 2HB LEU 30 -1.004 -2.411 5.413
208 2HB LEU 30 1HB LEU 30 -0.394 -1.306 6.634
209 HG LEU 30 HG LEU 30 0.633 -4.103 6.116
210 1HD1 LEU 30 1HD1 LEU 30 1.906 -1.432 5.622
211 2HD1 LEU 30 2HD1 LEU 30 1.327 -2.563 4.398
212 3HD1 LEU 30 3HD1 LEU 30 2.689 -2.997 5.430
213 1HD2 LEU 30 1HD2 LEU 30 1.537 -2.039 8.117
214 2HD2 LEU 30 2HD2 LEU 30 2.399 -3.524 7.722
215 3HD2 LEU 30 3HD2 LEU 30 0.809 -3.610 8.470
216 H ARG 31 H ARG 31 -1.936 -0.359 7.268
217 HA ARG 31 HA ARG 31 -4.520 -0.362 8.576
218 1HB ARG 31 2HB ARG 31 -2.465 1.304 8.574
219 2HB ARG 31 1HB ARG 31 -3.375 1.998 7.282
220 1HG ARG 31 2HG ARG 31 -5.369 1.968 8.877
221 2HG ARG 31 1HG ARG 31 -4.140 1.822 10.145
222 1HD ARG 31 2HD ARG 31 -4.403 4.136 9.925
223 2HD ARG 31 1HD ARG 31 -2.991 3.759 8.976
224 HE ARG 31 HE ARG 31 -5.047 3.521 7.186
225 1HH1 ARG 31 1HH1 ARG 31 -3.895 6.222 9.185
226 2HH1 ARG 31 2HH1 ARG 31 -4.350 7.387 8.032
227 1HH2 ARG 31 1HH2 ARG 31 -5.676 5.075 5.713
228 2HH2 ARG 31 2HH2 ARG 31 -5.374 6.734 5.970
229 H SER 32 H SER 32 -3.222 0.955 5.530
230 HA SER 32 HA SER 32 -5.709 0.533 4.055
231 1HB SER 32 2HB SER 32 -4.482 3.291 4.237
232 2HB SER 32 1HB SER 32 -6.059 2.819 3.625
233 HG SER 32 HG SER 32 -6.535 2.171 5.856
234 H GLY 33 H GLY 33 -5.166 1.617 1.806
235 1HA GLY 33 2HA GLY 33 -2.339 1.596 1.221
236 2HA GLY 33 1HA GLY 33 -3.312 0.338 0.449
237 H ARG 34 H ARG 34 -1.839 2.697 -0.589
238 HA ARG 34 HA ARG 34 -4.031 3.715 -2.220
239 1HB ARG 34 2HB ARG 34 -1.917 5.418 -0.941
240 2HB ARG 34 1HB ARG 34 -2.907 5.937 -2.296
241 1HG ARG 34 2HG ARG 34 -4.824 5.549 -1.062
242 2HG ARG 34 1HG ARG 34 -3.918 5.145 0.423
243 1HD ARG 34 2HD ARG 34 -4.126 7.781 -1.059
244 2HD ARG 34 1HD ARG 34 -4.526 7.459 0.624
245 HE ARG 34 HE ARG 34 -1.901 6.969 0.630
246 1HH1 ARG 34 1HH1 ARG 34 -3.778 9.657 -0.642
247 2HH1 ARG 34 2HH1 ARG 34 -2.514 10.783 -0.625
248 1HH2 ARG 34 1HH2 ARG 34 -0.126 8.435 0.621
249 2HH2 ARG 34 2HH2 ARG 34 -0.344 10.065 0.138
250 H CYS 35 H CYS 35 -3.575 4.571 -4.024
251 HA CYS 35 HA CYS 35 -1.288 3.207 -5.289
252 1HB CYS 35 2HB CYS 35 -3.679 2.545 -5.759
253 2HB CYS 35 1HB CYS 35 -3.826 4.060 -6.641
254 H ARG 36 H ARG 36 0.171 4.755 -5.386
255 HA ARG 36 HA ARG 36 -0.727 7.464 -5.720
256 1HB ARG 36 2HB ARG 36 2.065 6.546 -5.137
257 2HB ARG 36 1HB ARG 36 1.452 8.191 -5.003
258 1HG ARG 36 2HG ARG 36 -0.287 7.173 -3.413
259 2HG ARG 36 1HG ARG 36 0.816 5.811 -3.336
260 1HD ARG 36 2HD ARG 36 1.206 8.647 -2.427
261 2HD ARG 36 1HD ARG 36 1.407 7.159 -1.509
262 HE ARG 36 HE ARG 36 3.227 7.350 -3.657
263 1HH1 ARG 36 1HH1 ARG 36 2.652 8.081 -0.245
264 2HH1 ARG 36 2HH1 ARG 36 4.209 8.704 0.057
265 1HH2 ARG 36 1HH2 ARG 36 5.447 8.168 -3.231
266 2HH2 ARG 36 2HH2 ARG 36 5.833 8.734 -1.680
267 H ASP 37 H ASP 37 1.154 8.861 -6.949
268 HA ASP 37 HA ASP 37 0.636 8.441 -9.680
269 1HB ASP 37 2HB ASP 37 2.603 10.262 -8.316
270 2HB ASP 37 1HB ASP 37 2.472 10.179 -10.064
271 H ASP 38 H ASP 38 3.172 7.255 -7.740
272 HA ASP 38 HA ASP 38 4.907 6.632 -9.945
273 1HB ASP 38 2HB ASP 38 6.212 5.352 -8.213
274 2HB ASP 38 1HB ASP 38 6.008 7.068 -7.891
275 H PHE 39 H PHE 39 2.083 5.366 -9.040
276 HA PHE 39 HA PHE 39 0.908 3.566 -9.625
277 1HB PHE 39 2HB PHE 39 3.211 3.038 -11.513
278 2HB PHE 39 1HB PHE 39 1.694 2.151 -11.522
279 HD1 PHE 39 1HD PHE 39 -0.462 3.578 -11.758
280 HD2 PHE 39 2HD PHE 39 3.427 4.923 -12.840
281 HE1 PHE 39 1HE PHE 39 -1.464 5.251 -13.252
282 HE2 PHE 39 2HE PHE 39 2.434 6.602 -14.335
283 HZ PHE 39 HZ PHE 39 -0.018 6.771 -14.542
284 H ARG 40 H ARG 40 2.885 3.331 -7.406
285 HA ARG 40 HA ARG 40 2.750 0.435 -7.400
286 1HB ARG 40 2HB ARG 40 4.703 2.163 -5.854
287 2HB ARG 40 1HB ARG 40 4.527 0.428 -5.639
288 1HG ARG 40 2HG ARG 40 5.107 0.183 -8.070
289 2HG ARG 40 1HG ARG 40 5.531 1.893 -8.059
290 1HD ARG 40 2HD ARG 40 7.549 0.620 -7.737
291 2HD ARG 40 1HD ARG 40 7.147 1.406 -6.213
292 HE ARG 40 HE ARG 40 6.007 -1.086 -6.062
293 1HH1 ARG 40 1HH1 ARG 40 9.309 0.067 -6.606
294 2HH1 ARG 40 2HH1 ARG 40 10.052 -1.260 -5.856
295 1HH2 ARG 40 1HH2 ARG 40 7.062 -2.944 -5.037
296 2HH2 ARG 40 2HH2 ARG 40 8.744 -3.010 -4.937
297 H CYS 41 H CYS 41 2.169 -0.542 -5.423
298 HA CYS 41 HA CYS 41 0.056 0.866 -4.116
299 1HB CYS 41 2HB CYS 41 -0.256 -1.385 -4.725
300 2HB CYS 41 1HB CYS 41 1.173 -1.933 -3.839
301 H TRP 42 H TRP 42 0.376 2.107 -2.480
302 HA TRP 42 HA TRP 42 2.653 1.690 -0.686
303 1HB TRP 42 2HB TRP 42 1.058 4.130 -1.454
304 2HB TRP 42 1HB TRP 42 2.074 4.080 -0.025
305 HD1 TRP 42 HD TRP 42 2.412 3.720 -3.856
306 HE1 TRP 42 1HE TRP 42 4.726 4.540 -4.531
307 HE3 TRP 42 3HE TRP 42 4.235 4.656 0.795
308 HZ2 TRP 42 2HZ TRP 42 7.092 5.487 -3.200
309 HZ3 TRP 42 3HZ TRP 42 6.479 5.516 1.046
310 HH2 TRP 42 HH TRP 42 7.917 5.930 -0.915
311 H CYS 43 H CYS 43 2.031 0.802 1.154
312 HA CYS 43 HA CYS 43 -0.733 0.830 1.997
313 1HB CYS 43 2HB CYS 43 1.721 -0.385 3.248
314 2HB CYS 43 1HB CYS 43 0.062 -0.640 3.762
315 H THR 44 H THR 44 -1.475 2.129 3.612
316 HA THR 44 HA THR 44 0.383 4.075 4.699
317 HB THR 44 HB THR 44 -2.631 3.964 5.020
318 HG1 THR 44 1HG THR 44 -1.256 5.302 2.849
319 1HG2 THR 44 1HG2 THR 44 -2.396 6.404 5.271
320 2HG2 THR 44 2HG2 THR 44 -0.659 6.263 4.995
321 3HG2 THR 44 3HG2 THR 44 -1.382 5.545 6.432
322 H ARG 45 H ARG 45 0.752 3.917 6.948
323 HA ARG 45 HA ARG 45 -0.809 1.906 8.352
324 1HB ARG 45 2HB ARG 45 1.239 0.814 9.204
325 2HB ARG 45 1HB ARG 45 0.970 0.578 7.483
326 1HG ARG 45 2HG ARG 45 2.704 2.102 6.904
327 2HG ARG 45 1HG ARG 45 2.785 2.717 8.550
328 1HD ARG 45 2HD ARG 45 3.470 -0.107 7.772
329 2HD ARG 45 1HD ARG 45 4.652 1.194 7.938
330 HE ARG 45 HE ARG 45 2.929 0.734 10.223
331 1HH1 ARG 45 1HH1 ARG 45 6.091 0.012 8.761
332 2HH1 ARG 45 2HH1 ARG 45 6.811 -0.348 10.263
333 1HH2 ARG 45 1HH2 ARG 45 3.979 0.304 12.251
334 2HH2 ARG 45 2HH2 ARG 45 5.613 -0.188 12.231
335 H ASN 46 H ASN 46 -0.552 1.804 10.583
336 HA ASN 46 HA ASN 46 -0.123 4.255 11.819
337 1HB ASN 46 2HB ASN 46 -0.632 1.425 12.727
338 2HB ASN 46 1HB ASN 46 -0.447 2.803 13.805
339 1HD2 ASN 46 1HD2 ASN 46 -2.762 1.005 13.209
340 2HD2 ASN 46 2HD2 ASN 46 -4.047 2.081 12.779
341 H CYS 47 H CYS 47 1.681 4.892 12.567
342 HA CYS 47 HA CYS 47 4.003 3.133 12.379
343 1HB CYS 47 2HB CYS 47 3.689 4.681 10.513
344 2HB CYS 47 1HB CYS 47 3.664 6.038 11.592
Start of MODEL 6
1 1H LYS 1 1HT LYS 1 2.517 12.725 11.293
2 2H LYS 1 2HT LYS 1 4.073 12.096 11.164
3 3H LYS 1 3HT LYS 1 3.528 12.629 12.662
4 HA LYS 1 HA LYS 1 3.570 10.229 12.468
5 1HB LYS 1 2HB LYS 1 0.673 11.120 12.360
6 2HB LYS 1 1HB LYS 1 1.323 9.696 13.106
7 1HG LYS 1 2HG LYS 1 2.529 11.087 14.749
8 2HG LYS 1 1HG LYS 1 1.768 12.515 14.054
9 1HD LYS 1 2HD LYS 1 0.374 12.046 15.858
10 2HD LYS 1 1HD LYS 1 -0.456 11.259 14.527
11 1HE LYS 1 2HE LYS 1 1.362 9.877 16.514
12 2HE LYS 1 1HE LYS 1 -0.389 9.881 16.586
13 1HZ LYS 1 1HZ LYS 1 1.309 8.586 14.488
14 2HZ LYS 1 2HZ LYS 1 -0.369 8.692 14.429
15 3HZ LYS 1 3HZ LYS 1 0.374 7.852 15.673
16 H THR 2 H THR 2 2.044 8.503 11.608
17 HA THR 2 HA THR 2 1.659 7.094 9.981
18 HB THR 2 HB THR 2 0.552 7.763 7.879
19 HG1 THR 2 1HG THR 2 1.224 10.237 8.745
20 1HG2 THR 2 1HG2 THR 2 -0.740 7.028 9.775
21 2HG2 THR 2 2HG2 THR 2 -1.602 8.331 8.956
22 3HG2 THR 2 3HG2 THR 2 -0.722 8.659 10.448
23 H CYS 3 H CYS 3 2.820 5.967 8.943
24 HA CYS 3 HA CYS 3 5.016 7.111 7.399
25 1HB CYS 3 2HB CYS 3 4.831 4.588 9.089
26 2HB CYS 3 1HB CYS 3 6.200 4.964 8.035
27 H GLU 4 H GLU 4 5.523 5.827 5.403
28 HA GLU 4 HA GLU 4 3.396 4.004 4.655
29 1HB GLU 4 2HB GLU 4 2.763 6.377 4.047
30 2HB GLU 4 1HB GLU 4 4.142 6.383 2.971
31 1HG GLU 4 2HG GLU 4 3.209 4.824 1.564
32 2HG GLU 4 1HG GLU 4 2.013 4.318 2.764
33 H ASN 5 H ASN 5 4.074 2.426 3.307
34 HA ASN 5 HA ASN 5 6.699 2.609 2.017
35 1HB ASN 5 2HB ASN 5 5.936 0.417 3.967
36 2HB ASN 5 1HB ASN 5 7.315 0.365 2.879
37 1HD2 ASN 5 1HD2 ASN 5 9.068 1.683 3.298
38 2HD2 ASN 5 2HD2 ASN 5 9.326 2.428 4.830
39 H LEU 6 H LEU 6 7.072 0.632 0.708
40 HA LEU 6 HA LEU 6 4.984 0.446 -1.143
41 1HB LEU 6 2HB LEU 6 7.538 -0.902 -0.633
42 2HB LEU 6 1HB LEU 6 6.578 -1.199 -2.056
43 HG LEU 6 HG LEU 6 7.761 1.485 -1.317
44 1HD1 LEU 6 1HD1 LEU 6 8.726 -0.573 -3.305
45 2HD1 LEU 6 2HD1 LEU 6 9.511 -0.171 -1.776
46 3HD1 LEU 6 3HD1 LEU 6 9.417 1.030 -3.058
47 1HD2 LEU 6 1HD2 LEU 6 5.786 1.608 -2.750
48 2HD2 LEU 6 2HD2 LEU 6 6.521 0.460 -3.869
49 3HD2 LEU 6 3HD2 LEU 6 7.243 2.052 -3.633
50 H ALA 7 H ALA 7 3.653 -1.312 -1.582
51 HA ALA 7 HA ALA 7 3.193 -3.277 0.427
52 1HB ALA 7 1HB ALA 7 1.619 -4.216 -1.207
53 2HB ALA 7 2HB ALA 7 2.239 -3.098 -2.425
54 3HB ALA 7 3HB ALA 7 1.397 -2.478 -1.004
55 H ASN 8 H ASN 8 3.761 -5.405 0.408
56 HA ASN 8 HA ASN 8 6.170 -5.938 -1.145
57 1HB ASN 8 2HB ASN 8 4.996 -7.416 1.212
58 2HB ASN 8 1HB ASN 8 6.549 -7.760 0.457
59 1HD2 ASN 8 1HD2 ASN 8 4.753 -5.562 2.451
60 2HD2 ASN 8 2HD2 ASN 8 6.113 -4.661 3.032
61 H THR 9 H THR 9 2.927 -7.123 -0.735
62 HA THR 9 HA THR 9 3.614 -9.323 -2.529
63 HB THR 9 HB THR 9 1.365 -10.323 -1.827
64 HG1 THR 9 1HG THR 9 1.606 -8.189 0.048
65 1HG2 THR 9 1HG2 THR 9 2.249 -11.175 0.300
66 2HG2 THR 9 2HG2 THR 9 3.469 -9.899 0.301
67 3HG2 THR 9 3HG2 THR 9 3.499 -11.150 -0.944
68 H TYR 10 H TYR 10 2.648 -6.429 -2.882
69 HA TYR 10 HA TYR 10 0.630 -6.947 -4.983
70 1HB TYR 10 2HB TYR 10 0.397 -5.075 -3.209
71 2HB TYR 10 1HB TYR 10 1.661 -4.261 -4.094
72 HD1 TYR 10 1HD TYR 10 1.154 -3.576 -6.552
73 HD2 TYR 10 2HD TYR 10 -1.846 -4.855 -3.813
74 HE1 TYR 10 1HE TYR 10 -0.569 -2.399 -7.877
75 HE2 TYR 10 2HE TYR 10 -3.561 -3.698 -5.132
76 HH TYR 10 HH TYR 10 -3.716 -1.862 -6.643
77 H ARG 11 H ARG 11 2.075 -7.866 -6.291
78 HA ARG 11 HA ARG 11 4.450 -6.352 -7.076
79 1HB ARG 11 2HB ARG 11 4.659 -8.751 -6.374
80 2HB ARG 11 1HB ARG 11 3.701 -9.196 -7.776
81 1HG ARG 11 2HG ARG 11 5.413 -8.392 -9.258
82 2HG ARG 11 1HG ARG 11 6.351 -7.781 -7.893
83 1HD ARG 11 2HD ARG 11 5.649 -10.684 -8.351
84 2HD ARG 11 1HD ARG 11 7.200 -9.947 -8.740
85 HE ARG 11 HE ARG 11 6.858 -9.374 -6.104
86 1HH1 ARG 11 1HH1 ARG 11 6.850 -12.442 -7.911
87 2HH1 ARG 11 2HH1 ARG 11 7.445 -13.342 -6.591
88 1HH2 ARG 11 1HH2 ARG 11 7.677 -10.656 -4.356
89 2HH2 ARG 11 2HH2 ARG 11 7.913 -12.340 -4.562
90 H GLY 12 H GLY 12 4.441 -5.198 -8.842
91 1HA GLY 12 2HA GLY 12 3.930 -5.258 -11.281
92 2HA GLY 12 1HA GLY 12 2.281 -5.629 -10.782
93 HA PRO 13 HA PRO 13 2.651 -1.027 -10.756
94 1HB PRO 13 2HB PRO 13 0.795 -0.763 -12.904
95 2HB PRO 13 1HB PRO 13 2.521 -0.420 -12.945
96 1HG PRO 13 2HG PRO 13 1.286 -2.469 -14.351
97 2HG PRO 13 1HG PRO 13 3.009 -2.397 -13.948
98 1HD PRO 13 2HD PRO 13 0.809 -3.902 -12.583
99 2HD PRO 13 1HD PRO 13 2.490 -4.396 -12.901
100 H CYS 14 H CYS 14 0.566 0.511 -10.932
101 HA CYS 14 HA CYS 14 -1.219 -0.330 -8.907
102 1HB CYS 14 2HB CYS 14 -1.418 1.994 -10.809
103 2HB CYS 14 1HB CYS 14 -2.475 1.717 -9.433
104 H PHE 15 H PHE 15 -2.802 -1.752 -9.190
105 HA PHE 15 HA PHE 15 -4.230 -1.878 -11.697
106 1HB PHE 15 2HB PHE 15 -4.742 -3.233 -9.020
107 2HB PHE 15 1HB PHE 15 -5.684 -3.530 -10.477
108 HD1 PHE 15 1HD PHE 15 -2.403 -3.977 -8.873
109 HD2 PHE 15 2HD PHE 15 -4.851 -4.945 -12.210
110 HE1 PHE 15 1HE PHE 15 -0.816 -5.729 -9.518
111 HE2 PHE 15 2HE PHE 15 -3.266 -6.706 -12.863
112 HZ PHE 15 HZ PHE 15 -1.241 -7.099 -11.511
113 H THR 16 H THR 16 -4.971 -1.154 -8.326
114 HA THR 16 HA THR 16 -6.459 1.210 -8.992
115 HB THR 16 HB THR 16 -8.375 0.130 -7.428
116 HG1 THR 16 1HG THR 16 -8.387 -1.982 -7.461
117 1HG2 THR 16 1HG2 THR 16 -8.813 1.180 -9.612
118 2HG2 THR 16 2HG2 THR 16 -9.692 -0.343 -9.469
119 3HG2 THR 16 3HG2 THR 16 -8.212 -0.262 -10.429
120 H THR 17 H THR 17 -6.484 2.649 -7.249
121 HA THR 17 HA THR 17 -4.785 2.420 -5.088
122 HB THR 17 HB THR 17 -7.277 4.097 -5.340
123 HG1 THR 17 1HG THR 17 -5.888 5.618 -6.270
124 1HG2 THR 17 1HG2 THR 17 -6.220 5.652 -3.827
125 2HG2 THR 17 2HG2 THR 17 -4.776 4.678 -3.780
126 3HG2 THR 17 3HG2 THR 17 -6.269 4.064 -3.056
127 H GLY 18 H GLY 18 -8.332 1.942 -5.209
128 1HA GLY 18 2HA GLY 18 -8.727 1.412 -2.489
129 2HA GLY 18 1HA GLY 18 -9.797 0.934 -3.795
130 H SER 19 H SER 19 -7.873 -0.717 -5.141
131 HA SER 19 HA SER 19 -8.236 -3.058 -3.532
132 1HB SER 19 2HB SER 19 -6.853 -2.812 -6.205
133 2HB SER 19 1HB SER 19 -7.454 -4.296 -5.453
134 HG SER 19 HG SER 19 -9.519 -3.027 -5.375
135 H CYS 20 H CYS 20 -5.649 -0.889 -4.293
136 HA CYS 20 HA CYS 20 -3.520 -2.426 -3.226
137 1HB CYS 20 2HB CYS 20 -3.012 -0.399 -4.559
138 2HB CYS 20 1HB CYS 20 -3.958 0.573 -3.498
139 H ASP 21 H ASP 21 -5.808 -0.124 -1.918
140 HA ASP 21 HA ASP 21 -4.988 -0.044 0.765
141 1HB ASP 21 2HB ASP 21 -6.437 1.582 -0.244
142 2HB ASP 21 1HB ASP 21 -7.694 0.374 -0.520
143 H ASP 22 H ASP 22 -7.637 -1.907 -0.685
144 HA ASP 22 HA ASP 22 -8.267 -3.468 1.545
145 1HB ASP 22 2HB ASP 22 -9.759 -3.431 -0.332
146 2HB ASP 22 1HB ASP 22 -8.523 -4.056 -1.409
147 H HIS 23 H HIS 23 -5.918 -4.027 -1.005
148 HA HIS 23 HA HIS 23 -4.993 -6.549 -0.261
149 1HB HIS 23 2HB HIS 23 -4.375 -5.601 -2.379
150 2HB HIS 23 1HB HIS 23 -3.621 -4.218 -1.609
151 HD1 HIS 23 1HD HIS 23 -3.024 -7.778 -2.527
152 HD2 HIS 23 2HD HIS 23 -1.039 -4.654 -0.645
153 HE1 HIS 23 1HE HIS 23 -0.669 -8.523 -2.291
154 HE2 HIS 23 2HE HIS 23 0.386 -6.723 -0.832
155 H CYS 24 H CYS 24 -3.713 -3.350 0.623
156 HA CYS 24 HA CYS 24 -1.698 -4.286 2.319
157 1HB CYS 24 2HB CYS 24 -3.129 -1.643 2.167
158 2HB CYS 24 1HB CYS 24 -1.713 -1.879 3.163
159 H LYS 25 H LYS 25 -5.125 -3.458 2.998
160 HA LYS 25 HA LYS 25 -4.886 -3.604 5.752
161 1HB LYS 25 2HB LYS 25 -7.063 -3.685 3.741
162 2HB LYS 25 1HB LYS 25 -7.394 -3.952 5.436
163 1HG LYS 25 2HG LYS 25 -6.594 -1.755 5.989
164 2HG LYS 25 1HG LYS 25 -6.009 -1.520 4.341
165 1HD LYS 25 2HD LYS 25 -8.262 -1.576 3.490
166 2HD LYS 25 1HD LYS 25 -8.894 -1.951 5.092
167 1HE LYS 25 2HE LYS 25 -8.268 0.189 5.918
168 2HE LYS 25 1HE LYS 25 -7.351 0.553 4.453
169 1HZ LYS 25 1HZ LYS 25 -9.556 1.635 4.516
170 2HZ LYS 25 2HZ LYS 25 -10.284 0.095 4.479
171 3HZ LYS 25 3HZ LYS 25 -9.298 0.610 3.208
172 H ASN 26 H ASN 26 -6.213 -5.914 3.337
173 HA ASN 26 HA ASN 26 -6.748 -7.904 5.261
174 1HB ASN 26 2HB ASN 26 -8.095 -7.736 3.304
175 2HB ASN 26 1HB ASN 26 -6.690 -7.846 2.263
176 1HD2 ASN 26 1HD2 ASN 26 -7.404 -9.561 1.161
177 2HD2 ASN 26 2HD2 ASN 26 -7.509 -11.143 1.840
178 H LYS 27 H LYS 27 -4.363 -7.737 2.612
179 HA LYS 27 HA LYS 27 -3.355 -10.302 3.432
180 1HB LYS 27 2HB LYS 27 -3.656 -9.669 1.026
181 2HB LYS 27 1HB LYS 27 -2.373 -8.496 1.228
182 1HG LYS 27 2HG LYS 27 -1.546 -10.506 0.136
183 2HG LYS 27 1HG LYS 27 -0.780 -10.278 1.706
184 1HD LYS 27 2HD LYS 27 -1.384 -12.636 1.329
185 2HD LYS 27 1HD LYS 27 -2.273 -11.959 2.688
186 1HE LYS 27 2HE LYS 27 -4.248 -11.688 1.298
187 2HE LYS 27 1HE LYS 27 -3.361 -12.238 -0.120
188 1HZ LYS 27 1HZ LYS 27 -3.963 -13.878 2.294
189 2HZ LYS 27 2HZ LYS 27 -3.109 -14.395 0.953
190 3HZ LYS 27 3HZ LYS 27 -4.737 -13.976 0.800
191 H GLU 28 H GLU 28 -2.279 -6.950 3.546
192 HA GLU 28 HA GLU 28 0.143 -7.993 4.747
193 1HB GLU 28 2HB GLU 28 -0.198 -5.301 3.434
194 2HB GLU 28 1HB GLU 28 1.311 -5.912 4.122
195 1HG GLU 28 2HG GLU 28 0.887 -7.952 2.587
196 2HG GLU 28 1HG GLU 28 -0.203 -6.891 1.750
197 H HIS 29 H HIS 29 -2.645 -6.857 5.723
198 HA HIS 29 HA HIS 29 -3.501 -6.314 7.736
199 1HB HIS 29 2HB HIS 29 -2.041 -8.300 8.276
200 2HB HIS 29 1HB HIS 29 -0.803 -7.177 8.799
201 HD1 HIS 29 1HD HIS 29 -0.717 -7.526 11.239
202 HD2 HIS 29 2HD HIS 29 -4.617 -7.208 9.877
203 HE1 HIS 29 1HE HIS 29 -2.155 -7.580 13.300
204 HE2 HIS 29 2HE HIS 29 -4.470 -7.810 12.366
205 H LEU 30 H LEU 30 -2.105 -4.179 6.288
206 HA LEU 30 HA LEU 30 -1.112 -2.540 8.494
207 1HB LEU 30 2HB LEU 30 -0.774 -2.197 5.521
208 2HB LEU 30 1HB LEU 30 -0.188 -1.050 6.709
209 HG LEU 30 HG LEU 30 0.738 -3.911 6.410
210 1HD1 LEU 30 1HD1 LEU 30 2.136 -1.315 5.824
211 2HD1 LEU 30 2HD1 LEU 30 1.576 -2.499 4.642
212 3HD1 LEU 30 3HD1 LEU 30 2.872 -2.914 5.762
213 1HD2 LEU 30 1HD2 LEU 30 2.441 -3.306 8.089
214 2HD2 LEU 30 2HD2 LEU 30 0.807 -3.274 8.737
215 3HD2 LEU 30 3HD2 LEU 30 1.624 -1.762 8.334
216 H ARG 31 H ARG 31 -1.494 -0.005 7.444
217 HA ARG 31 HA ARG 31 -4.086 0.508 8.512
218 1HB ARG 31 2HB ARG 31 -2.002 1.977 8.697
219 2HB ARG 31 1HB ARG 31 -2.279 2.363 7.051
220 1HG ARG 31 2HG ARG 31 -4.510 3.267 7.572
221 2HG ARG 31 1HG ARG 31 -4.155 3.027 9.293
222 1HD ARG 31 2HD ARG 31 -2.234 4.464 9.129
223 2HD ARG 31 1HD ARG 31 -2.466 4.633 7.395
224 HE ARG 31 HE ARG 31 -4.065 5.814 9.517
225 1HH1 ARG 31 1HH1 ARG 31 -3.846 5.328 6.019
226 2HH1 ARG 31 2HH1 ARG 31 -4.316 6.910 5.623
227 1HH2 ARG 31 1HH2 ARG 31 -4.700 8.006 8.964
228 2HH2 ARG 31 2HH2 ARG 31 -4.815 8.467 7.316
229 H SER 32 H SER 32 -2.674 1.371 5.368
230 HA SER 32 HA SER 32 -5.236 1.099 4.004
231 1HB SER 32 2HB SER 32 -3.694 3.698 3.932
232 2HB SER 32 1HB SER 32 -5.280 3.362 3.274
233 HG SER 32 HG SER 32 -6.108 3.940 5.078
234 H GLY 33 H GLY 33 -4.716 1.909 1.690
235 1HA GLY 33 2HA GLY 33 -1.946 1.611 0.938
236 2HA GLY 33 1HA GLY 33 -3.067 0.406 0.306
237 H ARG 34 H ARG 34 -1.537 2.541 -1.011
238 HA ARG 34 HA ARG 34 -3.731 3.587 -2.623
239 1HB ARG 34 2HB ARG 34 -1.828 5.305 -1.082
240 2HB ARG 34 1HB ARG 34 -2.481 5.851 -2.618
241 1HG ARG 34 2HG ARG 34 -4.637 5.727 -1.848
242 2HG ARG 34 1HG ARG 34 -4.181 4.971 -0.309
243 1HD ARG 34 2HD ARG 34 -3.430 7.757 -1.236
244 2HD ARG 34 1HD ARG 34 -4.632 7.368 -0.006
245 HE ARG 34 HE ARG 34 -1.943 6.386 0.491
246 1HH1 ARG 34 1HH1 ARG 34 -4.325 8.914 1.157
247 2HH1 ARG 34 2HH1 ARG 34 -3.497 9.520 2.516
248 1HH2 ARG 34 1HH2 ARG 34 -0.822 7.177 2.342
249 2HH2 ARG 34 2HH2 ARG 34 -1.454 8.505 3.215
250 H CYS 35 H CYS 35 -3.164 4.412 -4.520
251 HA CYS 35 HA CYS 35 -0.741 3.258 -5.656
252 1HB CYS 35 2HB CYS 35 -2.734 2.899 -6.965
253 2HB CYS 35 1HB CYS 35 -3.141 4.612 -6.884
254 H ARG 36 H ARG 36 0.966 4.535 -6.084
255 HA ARG 36 HA ARG 36 0.447 7.381 -5.883
256 1HB ARG 36 2HB ARG 36 2.821 5.837 -4.860
257 2HB ARG 36 1HB ARG 36 2.843 7.583 -5.103
258 1HG ARG 36 2HG ARG 36 1.035 7.893 -3.565
259 2HG ARG 36 1HG ARG 36 0.829 6.164 -3.393
260 1HD ARG 36 2HD ARG 36 1.990 7.259 -1.490
261 2HD ARG 36 1HD ARG 36 2.891 5.958 -2.245
262 HE ARG 36 HE ARG 36 3.837 8.174 -3.469
263 1HH1 ARG 36 1HH1 ARG 36 3.334 7.419 -0.011
264 2HH1 ARG 36 2HH1 ARG 36 4.830 8.027 0.485
265 1HH2 ARG 36 1HH2 ARG 36 5.940 9.070 -2.726
266 2HH2 ARG 36 2HH2 ARG 36 6.342 8.988 -1.086
267 H ASP 37 H ASP 37 2.405 8.649 -6.870
268 HA ASP 37 HA ASP 37 1.985 8.390 -9.637
269 1HB ASP 37 2HB ASP 37 3.895 10.110 -8.072
270 2HB ASP 37 1HB ASP 37 3.829 10.155 -9.827
271 H ASP 38 H ASP 38 4.215 6.831 -7.717
272 HA ASP 38 HA ASP 38 6.079 6.312 -9.869
273 1HB ASP 38 2HB ASP 38 7.260 4.925 -8.109
274 2HB ASP 38 1HB ASP 38 7.128 6.645 -7.765
275 H PHE 39 H PHE 39 3.137 5.238 -9.338
276 HA PHE 39 HA PHE 39 1.874 3.569 -10.147
277 1HB PHE 39 2HB PHE 39 4.402 2.630 -11.537
278 2HB PHE 39 1HB PHE 39 2.814 1.945 -11.789
279 HD1 PHE 39 1HD PHE 39 1.088 3.159 -12.979
280 HD2 PHE 39 2HD PHE 39 4.975 4.806 -12.451
281 HE1 PHE 39 1HE PHE 39 0.622 4.811 -14.739
282 HE2 PHE 39 2HE PHE 39 4.514 6.465 -14.203
283 HZ PHE 39 HZ PHE 39 2.334 6.466 -15.352
284 H ARG 40 H ARG 40 3.475 3.268 -7.665
285 HA ARG 40 HA ARG 40 3.239 0.368 -7.461
286 1HB ARG 40 2HB ARG 40 5.083 2.259 -6.023
287 2HB ARG 40 1HB ARG 40 4.840 0.583 -5.545
288 1HG ARG 40 2HG ARG 40 5.760 1.400 -8.282
289 2HG ARG 40 1HG ARG 40 6.863 1.021 -6.950
290 1HD ARG 40 2HD ARG 40 4.764 -0.862 -8.049
291 2HD ARG 40 1HD ARG 40 6.480 -0.900 -8.459
292 HE ARG 40 HE ARG 40 6.800 -1.131 -5.973
293 1HH1 ARG 40 1HH1 ARG 40 4.105 -2.673 -7.748
294 2HH1 ARG 40 2HH1 ARG 40 3.918 -3.879 -6.559
295 1HH2 ARG 40 1HH2 ARG 40 6.461 -2.846 -4.392
296 2HH2 ARG 40 2HH2 ARG 40 5.274 -4.014 -4.676
297 H CYS 41 H CYS 41 2.468 -0.469 -5.527
298 HA CYS 41 HA CYS 41 0.381 1.075 -4.299
299 1HB CYS 41 2HB CYS 41 -0.071 -1.117 -5.020
300 2HB CYS 41 1HB CYS 41 1.306 -1.790 -4.161
301 H TRP 42 H TRP 42 0.753 2.137 -2.547
302 HA TRP 42 HA TRP 42 2.986 1.387 -0.799
303 1HB TRP 42 2HB TRP 42 1.590 4.017 -1.297
304 2HB TRP 42 1HB TRP 42 2.645 3.739 0.074
305 HD1 TRP 42 HD TRP 42 2.836 3.757 -3.807
306 HE1 TRP 42 1HE TRP 42 5.211 4.517 -4.476
307 HE3 TRP 42 3HE TRP 42 4.901 4.138 0.863
308 HZ2 TRP 42 2HZ TRP 42 7.623 5.221 -3.163
309 HZ3 TRP 42 3HZ TRP 42 7.189 4.876 1.075
310 HH2 TRP 42 HH TRP 42 8.549 5.404 -0.882
311 H CYS 43 H CYS 43 2.420 0.688 1.125
312 HA CYS 43 HA CYS 43 -0.367 0.783 1.990
313 1HB CYS 43 2HB CYS 43 1.977 -0.779 3.083
314 2HB CYS 43 1HB CYS 43 0.301 -0.929 3.585
315 H THR 44 H THR 44 -0.881 2.052 3.707
316 HA THR 44 HA THR 44 1.191 3.746 4.770
317 HB THR 44 HB THR 44 -1.749 3.793 5.469
318 HG1 THR 44 1HG THR 44 -0.550 5.001 3.134
319 1HG2 THR 44 1HG2 THR 44 -0.217 5.299 6.694
320 2HG2 THR 44 2HG2 THR 44 -1.338 6.209 5.684
321 3HG2 THR 44 3HG2 THR 44 0.330 5.976 5.158
322 H ARG 45 H ARG 45 1.598 3.772 7.034
323 HA ARG 45 HA ARG 45 0.244 1.812 8.670
324 1HB ARG 45 2HB ARG 45 2.496 1.218 9.712
325 2HB ARG 45 1HB ARG 45 2.156 0.533 8.133
326 1HG ARG 45 2HG ARG 45 3.616 2.066 7.058
327 2HG ARG 45 1HG ARG 45 3.766 3.027 8.526
328 1HD ARG 45 2HD ARG 45 5.730 1.530 7.981
329 2HD ARG 45 1HD ARG 45 5.064 1.365 9.600
330 HE ARG 45 HE ARG 45 3.948 -0.626 8.848
331 1HH1 ARG 45 1HH1 ARG 45 6.544 0.490 6.672
332 2HH1 ARG 45 2HH1 ARG 45 7.010 -1.103 6.273
333 1HH2 ARG 45 1HH2 ARG 45 4.671 -2.788 8.218
334 2HH2 ARG 45 2HH2 ARG 45 5.925 -2.943 7.090
335 H ASN 46 H ASN 46 0.047 2.411 10.808
336 HA ASN 46 HA ASN 46 0.261 5.126 11.343
337 1HB ASN 46 2HB ASN 46 -0.641 2.676 12.723
338 2HB ASN 46 1HB ASN 46 -0.341 4.111 13.677
339 1HD2 ASN 46 1HD2 ASN 46 -2.818 2.663 13.021
340 2HD2 ASN 46 2HD2 ASN 46 -3.870 3.824 12.319
341 H CYS 47 H CYS 47 1.645 6.215 12.566
342 HA CYS 47 HA CYS 47 3.421 5.040 14.355
343 1HB CYS 47 2HB CYS 47 5.505 5.889 13.262
344 2HB CYS 47 1HB CYS 47 4.728 4.706 12.233
Start of MODEL 7
1 1H LYS 1 1HT LYS 1 3.567 11.762 11.475
2 2H LYS 1 2HT LYS 1 5.123 11.160 11.390
3 3H LYS 1 3HT LYS 1 4.518 11.711 12.868
4 HA LYS 1 HA LYS 1 4.550 9.302 12.754
5 1HB LYS 1 2HB LYS 1 1.772 10.501 12.613
6 2HB LYS 1 1HB LYS 1 2.152 8.911 13.219
7 1HG LYS 1 2HG LYS 1 3.459 9.894 15.039
8 2HG LYS 1 1HG LYS 1 3.056 11.506 14.444
9 1HD LYS 1 2HD LYS 1 0.705 11.073 14.807
10 2HD LYS 1 1HD LYS 1 1.057 9.423 15.305
11 1HE LYS 1 2HE LYS 1 2.328 10.258 17.202
12 2HE LYS 1 1HE LYS 1 2.008 11.916 16.701
13 1HZ LYS 1 1HZ LYS 1 0.520 11.192 18.455
14 2HZ LYS 1 2HZ LYS 1 -0.035 9.919 17.511
15 3HZ LYS 1 3HZ LYS 1 -0.357 11.516 17.047
16 H THR 2 H THR 2 2.721 7.692 11.938
17 HA THR 2 HA THR 2 1.985 6.364 10.386
18 HB THR 2 HB THR 2 1.032 7.198 8.257
19 HG1 THR 2 1HG THR 2 1.645 9.168 7.740
20 1HG2 THR 2 1HG2 THR 2 -0.393 6.772 10.115
21 2HG2 THR 2 2HG2 THR 2 -0.927 8.274 9.370
22 3HG2 THR 2 3HG2 THR 2 0.024 8.316 10.859
23 H CYS 3 H CYS 3 2.809 4.956 9.392
24 HA CYS 3 HA CYS 3 5.317 5.429 7.969
25 1HB CYS 3 2HB CYS 3 4.223 2.961 9.349
26 2HB CYS 3 1HB CYS 3 5.698 2.967 8.403
27 H GLU 4 H GLU 4 5.561 4.632 5.889
28 HA GLU 4 HA GLU 4 3.301 3.276 4.719
29 1HB GLU 4 2HB GLU 4 2.990 5.786 4.641
30 2HB GLU 4 1HB GLU 4 4.413 5.836 3.633
31 1HG GLU 4 2HG GLU 4 3.336 4.726 1.886
32 2HG GLU 4 1HG GLU 4 1.994 4.247 2.946
33 H ASN 5 H ASN 5 3.998 1.883 3.222
34 HA ASN 5 HA ASN 5 6.638 2.141 2.012
35 1HB ASN 5 2HB ASN 5 6.743 0.855 4.338
36 2HB ASN 5 1HB ASN 5 5.918 -0.397 3.407
37 1HD2 ASN 5 1HD2 ASN 5 8.863 1.343 3.846
38 2HD2 ASN 5 2HD2 ASN 5 9.843 0.285 2.899
39 H LEU 6 H LEU 6 6.869 0.339 0.393
40 HA LEU 6 HA LEU 6 4.538 0.337 -1.106
41 1HB LEU 6 2HB LEU 6 7.164 -1.045 -1.463
42 2HB LEU 6 1HB LEU 6 5.888 -0.840 -2.630
43 HG LEU 6 HG LEU 6 6.309 1.697 -2.284
44 1HD1 LEU 6 1HD1 LEU 6 8.920 0.599 -1.314
45 2HD1 LEU 6 2HD1 LEU 6 7.790 1.654 -0.438
46 3HD1 LEU 6 3HD1 LEU 6 8.626 2.244 -1.866
47 1HD2 LEU 6 1HD2 LEU 6 8.259 -0.024 -3.795
48 2HD2 LEU 6 2HD2 LEU 6 8.000 1.704 -4.045
49 3HD2 LEU 6 3HD2 LEU 6 6.699 0.562 -4.372
50 H ALA 7 H ALA 7 3.323 -1.388 -1.595
51 HA ALA 7 HA ALA 7 3.108 -3.544 0.213
52 1HB ALA 7 1HB ALA 7 2.012 -3.170 -2.570
53 2HB ALA 7 2HB ALA 7 1.203 -2.753 -1.057
54 3HB ALA 7 3HB ALA 7 1.521 -4.445 -1.455
55 H ASN 8 H ASN 8 4.310 -5.273 0.289
56 HA ASN 8 HA ASN 8 6.488 -5.537 -1.584
57 1HB ASN 8 2HB ASN 8 7.430 -7.196 -0.115
58 2HB ASN 8 1HB ASN 8 6.799 -5.893 0.876
59 1HD2 ASN 8 1HD2 ASN 8 6.587 -9.218 0.033
60 2HD2 ASN 8 2HD2 ASN 8 5.441 -9.669 1.241
61 H THR 9 H THR 9 3.438 -6.999 -1.169
62 HA THR 9 HA THR 9 4.288 -9.031 -3.065
63 HB THR 9 HB THR 9 2.037 -10.170 -2.388
64 HG1 THR 9 1HG THR 9 2.387 -8.218 -0.371
65 1HG2 THR 9 1HG2 THR 9 4.488 -10.151 -0.636
66 2HG2 THR 9 2HG2 THR 9 4.227 -11.150 -2.071
67 3HG2 THR 9 3HG2 THR 9 3.243 -11.400 -0.630
68 H TYR 10 H TYR 10 3.079 -6.237 -3.292
69 HA TYR 10 HA TYR 10 1.123 -6.895 -5.375
70 1HB TYR 10 2HB TYR 10 0.600 -4.979 -3.804
71 2HB TYR 10 1HB TYR 10 2.031 -4.155 -4.399
72 HD1 TYR 10 1HD TYR 10 2.052 -3.212 -6.686
73 HD2 TYR 10 2HD TYR 10 -1.438 -5.048 -5.083
74 HE1 TYR 10 1HE TYR 10 0.702 -2.170 -8.445
75 HE2 TYR 10 2HE TYR 10 -2.802 -4.008 -6.851
76 HH TYR 10 HH TYR 10 -1.415 -2.585 -9.584
77 H ARG 11 H ARG 11 2.110 -7.458 -7.138
78 HA ARG 11 HA ARG 11 4.807 -6.418 -7.620
79 1HB ARG 11 2HB ARG 11 4.380 -8.889 -7.212
80 2HB ARG 11 1HB ARG 11 3.559 -8.910 -8.759
81 1HG ARG 11 2HG ARG 11 5.818 -9.749 -8.957
82 2HG ARG 11 1HG ARG 11 5.626 -8.249 -9.867
83 1HD ARG 11 2HD ARG 11 7.755 -8.416 -8.546
84 2HD ARG 11 1HD ARG 11 6.786 -6.992 -8.208
85 HE ARG 11 HE ARG 11 5.982 -8.205 -6.209
86 1HH1 ARG 11 1HH1 ARG 11 9.110 -9.197 -7.570
87 2HH1 ARG 11 2HH1 ARG 11 9.814 -9.533 -6.064
88 1HH2 ARG 11 1HH2 ARG 11 6.977 -8.653 -4.108
89 2HH2 ARG 11 2HH2 ARG 11 8.574 -9.228 -4.066
90 H GLY 12 H GLY 12 4.776 -4.827 -9.094
91 1HA GLY 12 2HA GLY 12 4.557 -4.549 -11.535
92 2HA GLY 12 1HA GLY 12 2.895 -5.101 -11.329
93 HA PRO 13 HA PRO 13 2.893 -0.503 -11.018
94 1HB PRO 13 2HB PRO 13 0.948 -0.444 -13.138
95 2HB PRO 13 1HB PRO 13 2.598 0.179 -13.148
96 1HG PRO 13 2HG PRO 13 1.767 -1.961 -14.650
97 2HG PRO 13 1HG PRO 13 3.438 -1.703 -14.116
98 1HD PRO 13 2HD PRO 13 1.323 -3.471 -12.935
99 2HD PRO 13 1HD PRO 13 3.051 -3.803 -13.197
100 H CYS 14 H CYS 14 1.407 0.680 -10.049
101 HA CYS 14 HA CYS 14 -0.885 -0.640 -8.960
102 1HB CYS 14 2HB CYS 14 0.514 0.786 -7.561
103 2HB CYS 14 1HB CYS 14 0.139 2.166 -8.588
104 H PHE 15 H PHE 15 -2.852 -0.483 -9.686
105 HA PHE 15 HA PHE 15 -3.373 1.484 -11.794
106 1HB PHE 15 2HB PHE 15 -4.839 -1.093 -11.221
107 2HB PHE 15 1HB PHE 15 -5.219 0.025 -12.526
108 HD1 PHE 15 1HD PHE 15 -3.430 0.471 -14.274
109 HD2 PHE 15 2HD PHE 15 -3.220 -2.752 -11.508
110 HE1 PHE 15 1HE PHE 15 -1.797 -0.659 -15.721
111 HE2 PHE 15 2HE PHE 15 -1.588 -3.892 -12.954
112 HZ PHE 15 HZ PHE 15 -0.873 -2.844 -15.060
113 H THR 16 H THR 16 -4.556 0.462 -8.642
114 HA THR 16 HA THR 16 -6.289 2.785 -8.594
115 HB THR 16 HB THR 16 -7.458 0.020 -8.136
116 HG1 THR 16 1HG THR 16 -7.197 1.578 -10.411
117 1HG2 THR 16 1HG2 THR 16 -8.571 1.797 -6.880
118 2HG2 THR 16 2HG2 THR 16 -9.616 1.207 -8.174
119 3HG2 THR 16 3HG2 THR 16 -8.764 2.740 -8.359
120 H THR 17 H THR 17 -6.436 3.622 -6.553
121 HA THR 17 HA THR 17 -4.941 2.761 -4.382
122 HB THR 17 HB THR 17 -7.269 4.651 -4.635
123 HG1 THR 17 1HG THR 17 -5.776 5.899 -5.271
124 1HG2 THR 17 1HG2 THR 17 -5.557 4.221 -2.159
125 2HG2 THR 17 2HG2 THR 17 -7.269 3.876 -2.309
126 3HG2 THR 17 3HG2 THR 17 -6.701 5.541 -2.390
127 H GLY 18 H GLY 18 -8.428 2.339 -5.041
128 1HA GLY 18 2HA GLY 18 -9.137 1.050 -2.682
129 2HA GLY 18 1HA GLY 18 -9.951 0.851 -4.225
130 H SER 19 H SER 19 -7.548 -0.222 -5.513
131 HA SER 19 HA SER 19 -7.870 -2.977 -4.797
132 1HB SER 19 2HB SER 19 -5.976 -1.665 -6.756
133 2HB SER 19 1HB SER 19 -6.432 -3.369 -6.731
134 HG SER 19 HG SER 19 -8.616 -2.624 -7.023
135 H CYS 20 H CYS 20 -5.347 -0.521 -4.676
136 HA CYS 20 HA CYS 20 -3.264 -2.015 -3.565
137 1HB CYS 20 2HB CYS 20 -2.974 0.313 -4.497
138 2HB CYS 20 1HB CYS 20 -3.942 0.912 -3.199
139 H ASP 21 H ASP 21 -5.723 0.017 -2.051
140 HA ASP 21 HA ASP 21 -5.127 -0.299 0.619
141 1HB ASP 21 2HB ASP 21 -6.728 1.321 -0.256
142 2HB ASP 21 1HB ASP 21 -7.844 0.023 -0.682
143 H ASP 22 H ASP 22 -7.305 -2.209 -1.405
144 HA ASP 22 HA ASP 22 -8.227 -4.013 0.534
145 1HB ASP 22 2HB ASP 22 -9.255 -3.854 -1.680
146 2HB ASP 22 1HB ASP 22 -7.788 -4.491 -2.416
147 H HIS 23 H HIS 23 -5.514 -4.234 -1.653
148 HA HIS 23 HA HIS 23 -4.578 -6.744 -0.870
149 1HB HIS 23 2HB HIS 23 -3.785 -5.755 -2.912
150 2HB HIS 23 1HB HIS 23 -3.159 -4.354 -2.057
151 HD1 HIS 23 1HD HIS 23 -2.424 -7.964 -2.716
152 HD2 HIS 23 2HD HIS 23 -0.660 -4.666 -0.943
153 HE1 HIS 23 1HE HIS 23 -0.044 -8.629 -2.261
154 HE2 HIS 23 2HE HIS 23 0.882 -6.691 -0.930
155 H CYS 24 H CYS 24 -3.716 -3.514 0.276
156 HA CYS 24 HA CYS 24 -1.804 -4.417 2.078
157 1HB CYS 24 2HB CYS 24 -3.400 -1.848 2.088
158 2HB CYS 24 1HB CYS 24 -1.976 -2.137 3.079
159 H LYS 25 H LYS 25 -5.364 -3.948 2.421
160 HA LYS 25 HA LYS 25 -5.574 -4.165 5.158
161 1HB LYS 25 2HB LYS 25 -7.357 -4.894 2.856
162 2HB LYS 25 1HB LYS 25 -7.850 -4.960 4.518
163 1HG LYS 25 2HG LYS 25 -6.938 -2.454 3.153
164 2HG LYS 25 1HG LYS 25 -8.610 -2.995 3.152
165 1HD LYS 25 2HD LYS 25 -8.496 -2.981 5.662
166 2HD LYS 25 1HD LYS 25 -6.931 -2.176 5.504
167 1HE LYS 25 2HE LYS 25 -7.933 -0.386 4.238
168 2HE LYS 25 1HE LYS 25 -9.501 -1.183 4.293
169 1HZ LYS 25 1HZ LYS 25 -7.993 -0.150 6.619
170 2HZ LYS 25 2HZ LYS 25 -9.492 -0.939 6.682
171 3HZ LYS 25 3HZ LYS 25 -9.363 0.560 5.918
172 H ASN 26 H ASN 26 -6.405 -6.514 2.656
173 HA ASN 26 HA ASN 26 -6.773 -8.600 4.544
174 1HB ASN 26 2HB ASN 26 -8.279 -8.571 2.759
175 2HB ASN 26 1HB ASN 26 -6.999 -8.408 1.567
176 1HD2 ASN 26 1HD2 ASN 26 -6.033 -10.228 0.775
177 2HD2 ASN 26 2HD2 ASN 26 -6.484 -11.828 1.181
178 H LYS 27 H LYS 27 -4.336 -8.006 2.036
179 HA LYS 27 HA LYS 27 -3.189 -10.581 2.668
180 1HB LYS 27 2HB LYS 27 -3.423 -9.567 0.301
181 2HB LYS 27 1HB LYS 27 -2.054 -8.563 0.728
182 1HG LYS 27 2HG LYS 27 -2.045 -11.587 0.647
183 2HG LYS 27 1HG LYS 27 -1.435 -10.539 -0.622
184 1HD LYS 27 2HD LYS 27 0.264 -9.673 0.897
185 2HD LYS 27 1HD LYS 27 -0.381 -10.658 2.206
186 1HE LYS 27 2HE LYS 27 0.135 -12.677 0.882
187 2HE LYS 27 1HE LYS 27 0.850 -11.640 -0.355
188 1HZ LYS 27 1HZ LYS 27 1.780 -11.878 2.452
189 2HZ LYS 27 2HZ LYS 27 2.439 -10.852 1.303
190 3HZ LYS 27 3HZ LYS 27 2.546 -12.525 1.094
191 H GLU 28 H GLU 28 -2.241 -7.142 2.916
192 HA GLU 28 HA GLU 28 0.140 -8.127 4.234
193 1HB GLU 28 2HB GLU 28 -0.370 -5.383 3.113
194 2HB GLU 28 1HB GLU 28 1.134 -5.876 3.882
195 1HG GLU 28 2HG GLU 28 1.083 -7.835 2.174
196 2HG GLU 28 1HG GLU 28 -0.103 -6.887 1.333
197 H HIS 29 H HIS 29 -2.755 -7.232 5.160
198 HA HIS 29 HA HIS 29 -3.726 -6.847 7.108
199 1HB HIS 29 2HB HIS 29 -1.102 -7.937 8.108
200 2HB HIS 29 1HB HIS 29 -2.376 -7.472 9.223
201 HD1 HIS 29 1HD HIS 29 -3.975 -9.279 9.801
202 HD2 HIS 29 2HD HIS 29 -2.046 -10.027 6.200
203 HE1 HIS 29 1HE HIS 29 -4.684 -11.585 9.123
204 HE2 HIS 29 2HE HIS 29 -3.361 -12.083 7.050
205 H LEU 30 H LEU 30 -2.616 -4.560 5.945
206 HA LEU 30 HA LEU 30 -1.732 -3.106 8.315
207 1HB LEU 30 2HB LEU 30 -1.233 -2.432 5.420
208 2HB LEU 30 1HB LEU 30 -0.796 -1.395 6.754
209 HG LEU 30 HG LEU 30 0.330 -4.160 6.259
210 1HD1 LEU 30 1HD1 LEU 30 2.446 -2.969 5.908
211 2HD1 LEU 30 2HD1 LEU 30 1.574 -1.434 5.982
212 3HD1 LEU 30 3HD1 LEU 30 1.228 -2.595 4.697
213 1HD2 LEU 30 1HD2 LEU 30 0.197 -3.748 8.631
214 2HD2 LEU 30 2HD2 LEU 30 0.935 -2.159 8.431
215 3HD2 LEU 30 3HD2 LEU 30 1.877 -3.615 8.108
216 H ARG 31 H ARG 31 -2.197 -0.523 7.559
217 HA ARG 31 HA ARG 31 -4.891 -0.341 8.485
218 1HB ARG 31 2HB ARG 31 -2.713 1.126 8.898
219 2HB ARG 31 1HB ARG 31 -3.289 1.958 7.512
220 1HG ARG 31 2HG ARG 31 -5.060 1.639 9.928
221 2HG ARG 31 1HG ARG 31 -3.993 3.020 9.687
222 1HD ARG 31 2HD ARG 31 -5.128 3.545 7.606
223 2HD ARG 31 1HD ARG 31 -6.162 2.137 7.797
224 HE ARG 31 HE ARG 31 -6.409 3.773 10.041
225 1HH1 ARG 31 1HH1 ARG 31 -7.160 3.882 6.577
226 2HH1 ARG 31 2HH1 ARG 31 -8.598 4.775 6.759
227 1HH2 ARG 31 1HH2 ARG 31 -8.374 5.049 10.280
228 2HH2 ARG 31 2HH2 ARG 31 -9.309 5.434 8.891
229 H SER 32 H SER 32 -3.247 0.985 5.604
230 HA SER 32 HA SER 32 -5.595 0.546 3.949
231 1HB SER 32 2HB SER 32 -4.465 3.348 4.250
232 2HB SER 32 1HB SER 32 -5.843 2.843 3.295
233 HG SER 32 HG SER 32 -6.690 2.084 5.390
234 H GLY 33 H GLY 33 -4.942 1.696 1.735
235 1HA GLY 33 2HA GLY 33 -2.099 1.594 1.257
236 2HA GLY 33 1HA GLY 33 -3.095 0.401 0.412
237 H ARG 34 H ARG 34 -1.547 2.819 -0.453
238 HA ARG 34 HA ARG 34 -3.701 4.016 -2.060
239 1HB ARG 34 2HB ARG 34 -1.660 5.520 -0.470
240 2HB ARG 34 1HB ARG 34 -2.419 6.193 -1.905
241 1HG ARG 34 2HG ARG 34 -4.533 5.945 -0.953
242 2HG ARG 34 1HG ARG 34 -3.881 5.234 0.537
243 1HD ARG 34 2HD ARG 34 -3.349 8.026 -0.519
244 2HD ARG 34 1HD ARG 34 -4.348 7.619 0.872
245 HE ARG 34 HE ARG 34 -1.722 6.617 1.204
246 1HH1 ARG 34 1HH1 ARG 34 -3.607 9.599 1.409
247 2HH1 ARG 34 2HH1 ARG 34 -2.532 10.388 2.450
248 1HH2 ARG 34 1HH2 ARG 34 -0.224 7.679 2.684
249 2HH2 ARG 34 2HH2 ARG 34 -0.553 9.255 3.197
250 H CYS 35 H CYS 35 -3.347 4.796 -3.818
251 HA CYS 35 HA CYS 35 -1.084 3.581 -5.163
252 1HB CYS 35 2HB CYS 35 -3.514 3.376 -5.813
253 2HB CYS 35 1HB CYS 35 -3.400 5.030 -6.405
254 H ARG 36 H ARG 36 0.553 4.884 -4.803
255 HA ARG 36 HA ARG 36 0.240 7.772 -4.886
256 1HB ARG 36 2HB ARG 36 2.652 6.071 -4.283
257 2HB ARG 36 1HB ARG 36 2.646 7.827 -4.262
258 1HG ARG 36 2HG ARG 36 0.874 7.721 -2.514
259 2HG ARG 36 1HG ARG 36 1.077 5.985 -2.495
260 1HD ARG 36 2HD ARG 36 2.350 7.120 -0.700
261 2HD ARG 36 1HD ARG 36 3.338 6.152 -1.781
262 HE ARG 36 HE ARG 36 3.494 8.637 -2.841
263 1HH1 ARG 36 1HH1 ARG 36 3.892 7.536 0.492
264 2HH1 ARG 36 2HH1 ARG 36 5.266 8.503 0.793
265 1HH2 ARG 36 1HH2 ARG 36 5.347 10.010 -2.412
266 2HH2 ARG 36 2HH2 ARG 36 6.138 9.905 -0.908
267 H ASP 37 H ASP 37 1.729 9.103 -6.136
268 HA ASP 37 HA ASP 37 1.867 8.184 -8.854
269 1HB ASP 37 2HB ASP 37 1.354 10.575 -8.302
270 2HB ASP 37 1HB ASP 37 2.996 10.749 -7.692
271 H ASP 38 H ASP 38 3.079 6.477 -8.331
272 HA ASP 38 HA ASP 38 5.922 6.759 -8.925
273 1HB ASP 38 2HB ASP 38 5.755 7.038 -6.440
274 2HB ASP 38 1HB ASP 38 4.950 5.487 -6.337
275 H PHE 39 H PHE 39 3.090 5.421 -9.676
276 HA PHE 39 HA PHE 39 2.137 3.541 -10.276
277 1HB PHE 39 2HB PHE 39 4.954 2.971 -11.219
278 2HB PHE 39 1HB PHE 39 3.612 1.899 -11.550
279 HD1 PHE 39 1HD PHE 39 5.203 5.029 -12.388
280 HD2 PHE 39 2HD PHE 39 1.748 2.624 -12.951
281 HE1 PHE 39 1HE PHE 39 4.592 6.372 -14.343
282 HE2 PHE 39 2HE PHE 39 1.125 3.960 -14.915
283 HZ PHE 39 HZ PHE 39 2.546 5.837 -15.617
284 H ARG 40 H ARG 40 3.276 3.562 -7.516
285 HA ARG 40 HA ARG 40 3.266 0.667 -7.205
286 1HB ARG 40 2HB ARG 40 5.045 2.588 -5.684
287 2HB ARG 40 1HB ARG 40 4.810 0.893 -5.311
288 1HG ARG 40 2HG ARG 40 5.794 1.837 -7.970
289 2HG ARG 40 1HG ARG 40 6.867 1.409 -6.625
290 1HD ARG 40 2HD ARG 40 4.820 -0.437 -7.883
291 2HD ARG 40 1HD ARG 40 6.539 -0.433 -8.257
292 HE ARG 40 HE ARG 40 6.694 -0.735 -5.694
293 1HH1 ARG 40 1HH1 ARG 40 4.392 -2.426 -7.888
294 2HH1 ARG 40 2HH1 ARG 40 4.352 -3.796 -6.868
295 1HH2 ARG 40 1HH2 ARG 40 6.576 -2.697 -4.400
296 2HH2 ARG 40 2HH2 ARG 40 5.588 -3.970 -4.938
297 H CYS 41 H CYS 41 2.323 -0.178 -5.543
298 HA CYS 41 HA CYS 41 0.256 1.302 -4.223
299 1HB CYS 41 2HB CYS 41 -0.245 -0.835 -5.066
300 2HB CYS 41 1HB CYS 41 1.147 -1.586 -4.286
301 H TRP 42 H TRP 42 0.584 2.249 -2.335
302 HA TRP 42 HA TRP 42 2.811 1.351 -0.658
303 1HB TRP 42 2HB TRP 42 1.598 4.083 -1.027
304 2HB TRP 42 1HB TRP 42 2.636 3.674 0.326
305 HD1 TRP 42 HD TRP 42 2.813 3.803 -3.548
306 HE1 TRP 42 1HE TRP 42 5.252 4.461 -4.200
307 HE3 TRP 42 3HE TRP 42 4.927 3.923 1.114
308 HZ2 TRP 42 2HZ TRP 42 7.676 4.990 -2.898
309 HZ3 TRP 42 3HZ TRP 42 7.249 4.533 1.336
310 HH2 TRP 42 HH TRP 42 8.629 5.056 -0.626
311 H CYS 43 H CYS 43 2.130 0.292 1.017
312 HA CYS 43 HA CYS 43 -0.546 0.552 2.058
313 1HB CYS 43 2HB CYS 43 1.825 -1.074 3.014
314 2HB CYS 43 1HB CYS 43 0.160 -1.224 3.570
315 H THR 44 H THR 44 -1.002 1.580 4.066
316 HA THR 44 HA THR 44 1.257 3.070 5.119
317 HB THR 44 HB THR 44 -0.245 4.391 3.525
318 HG1 THR 44 1HG THR 44 0.487 5.909 4.511
319 1HG2 THR 44 1HG2 THR 44 -2.398 3.472 4.134
320 2HG2 THR 44 2HG2 THR 44 -2.394 5.219 4.399
321 3HG2 THR 44 3HG2 THR 44 -2.241 4.117 5.770
322 H ARG 45 H ARG 45 1.029 3.421 7.365
323 HA ARG 45 HA ARG 45 -1.259 2.309 8.737
324 1HB ARG 45 2HB ARG 45 0.098 0.888 10.211
325 2HB ARG 45 1HB ARG 45 0.197 0.347 8.543
326 1HG ARG 45 2HG ARG 45 2.398 1.122 8.307
327 2HG ARG 45 1HG ARG 45 2.273 2.143 9.742
328 1HD ARG 45 2HD ARG 45 2.203 -0.875 9.766
329 2HD ARG 45 1HD ARG 45 3.625 0.106 10.123
330 HE ARG 45 HE ARG 45 1.758 1.089 11.818
331 1HH1 ARG 45 1HH1 ARG 45 3.054 -2.137 11.274
332 2HH1 ARG 45 2HH1 ARG 45 2.755 -2.696 12.851
333 1HH2 ARG 45 1HH2 ARG 45 1.354 0.370 13.981
334 2HH2 ARG 45 2HH2 ARG 45 1.735 -1.221 14.440
335 H ASN 46 H ASN 46 -1.261 2.913 11.054
336 HA ASN 46 HA ASN 46 -0.081 5.387 11.510
337 1HB ASN 46 2HB ASN 46 -1.587 3.420 13.213
338 2HB ASN 46 1HB ASN 46 -1.157 5.054 13.671
339 1HD2 ASN 46 1HD2 ASN 46 -2.228 6.796 12.662
340 2HD2 ASN 46 2HD2 ASN 46 -3.710 6.543 11.805
341 H CYS 47 H CYS 47 1.589 5.810 12.888
342 HA CYS 47 HA CYS 47 2.720 3.955 14.624
343 1HB CYS 47 2HB CYS 47 4.969 3.838 13.603
344 2HB CYS 47 1HB CYS 47 3.798 3.145 12.490
Start of MODEL 8
1 1H LYS 1 1HT LYS 1 5.073 7.562 15.397
2 2H LYS 1 2HT LYS 1 5.053 6.126 14.495
3 3H LYS 1 3HT LYS 1 3.648 6.663 15.196
4 HA LYS 1 HA LYS 1 3.604 8.583 13.747
5 1HB LYS 1 2HB LYS 1 5.962 7.205 12.425
6 2HB LYS 1 1HB LYS 1 5.109 8.594 11.816
7 1HG LYS 1 2HG LYS 1 5.911 9.968 13.637
8 2HG LYS 1 1HG LYS 1 6.707 8.575 14.369
9 1HD LYS 1 2HD LYS 1 8.309 9.980 13.135
10 2HD LYS 1 1HD LYS 1 8.180 8.373 12.421
11 1HE LYS 1 2HE LYS 1 6.709 9.257 10.676
12 2HE LYS 1 1HE LYS 1 6.776 10.857 11.407
13 1HZ LYS 1 1HZ LYS 1 9.166 10.883 10.946
14 2HZ LYS 1 2HZ LYS 1 8.283 10.735 9.543
15 3HZ LYS 1 3HZ LYS 1 9.067 9.390 10.182
16 H THR 2 H THR 2 3.333 8.135 11.201
17 HA THR 2 HA THR 2 2.538 5.385 10.820
18 HB THR 2 HB THR 2 0.848 6.302 9.183
19 HG1 THR 2 1HG THR 2 1.163 8.626 10.822
20 1HG2 THR 2 1HG2 THR 2 -0.899 6.609 10.932
21 2HG2 THR 2 2HG2 THR 2 0.383 6.720 12.138
22 3HG2 THR 2 3HG2 THR 2 0.149 5.224 11.236
23 H CYS 3 H CYS 3 3.340 4.514 9.125
24 HA CYS 3 HA CYS 3 5.031 6.201 7.418
25 1HB CYS 3 2HB CYS 3 5.495 3.357 8.339
26 2HB CYS 3 1HB CYS 3 6.460 4.228 7.151
27 H GLU 4 H GLU 4 4.540 6.162 5.380
28 HA GLU 4 HA GLU 4 2.794 4.026 4.394
29 1HB GLU 4 2HB GLU 4 2.087 6.470 4.170
30 2HB GLU 4 1HB GLU 4 3.458 6.658 3.118
31 1HG GLU 4 2HG GLU 4 2.576 5.233 1.500
32 2HG GLU 4 1HG GLU 4 1.251 4.697 2.541
33 H ASN 5 H ASN 5 3.835 2.489 3.461
34 HA ASN 5 HA ASN 5 6.154 3.112 1.785
35 1HB ASN 5 2HB ASN 5 6.146 1.042 4.001
36 2HB ASN 5 1HB ASN 5 7.343 1.110 2.719
37 1HD2 ASN 5 1HD2 ASN 5 8.835 2.784 2.706
38 2HD2 ASN 5 2HD2 ASN 5 9.111 3.781 4.071
39 H LEU 6 H LEU 6 6.629 1.524 0.276
40 HA LEU 6 HA LEU 6 4.492 0.682 -1.146
41 1HB LEU 6 2HB LEU 6 7.358 -0.072 -1.011
42 2HB LEU 6 1HB LEU 6 6.266 -0.707 -2.217
43 HG LEU 6 HG LEU 6 6.698 2.254 -1.856
44 1HD1 LEU 6 1HD1 LEU 6 8.846 1.240 -2.365
45 2HD1 LEU 6 2HD1 LEU 6 8.227 2.118 -3.764
46 3HD1 LEU 6 3HD1 LEU 6 8.128 0.360 -3.714
47 1HD2 LEU 6 1HD2 LEU 6 5.842 2.338 -4.142
48 2HD2 LEU 6 2HD2 LEU 6 4.678 1.588 -3.057
49 3HD2 LEU 6 3HD2 LEU 6 5.646 0.588 -4.141
50 H ALA 7 H ALA 7 3.409 -1.174 -1.364
51 HA ALA 7 HA ALA 7 3.032 -2.867 0.791
52 1HB ALA 7 1HB ALA 7 1.756 -4.251 -0.755
53 2HB ALA 7 2HB ALA 7 2.450 -3.348 -2.111
54 3HB ALA 7 3HB ALA 7 1.396 -2.537 -0.958
55 H ASN 8 H ASN 8 3.539 -5.021 1.128
56 HA ASN 8 HA ASN 8 6.280 -5.629 0.390
57 1HB ASN 8 2HB ASN 8 4.381 -7.017 2.285
58 2HB ASN 8 1HB ASN 8 6.068 -7.445 2.052
59 1HD2 ASN 8 1HD2 ASN 8 3.839 -5.122 3.353
60 2HD2 ASN 8 2HD2 ASN 8 4.984 -4.308 4.361
61 H THR 9 H THR 9 3.049 -6.868 -0.091
62 HA THR 9 HA THR 9 4.178 -9.109 -1.639
63 HB THR 9 HB THR 9 1.488 -9.083 -0.242
64 HG1 THR 9 1HG THR 9 3.397 -8.714 1.137
65 1HG2 THR 9 1HG2 THR 9 1.868 -10.858 -1.942
66 2HG2 THR 9 2HG2 THR 9 1.758 -11.530 -0.320
67 3HG2 THR 9 3HG2 THR 9 3.333 -11.347 -1.089
68 H TYR 10 H TYR 10 3.336 -6.326 -2.489
69 HA TYR 10 HA TYR 10 1.216 -7.114 -4.371
70 1HB TYR 10 2HB TYR 10 0.831 -5.026 -2.988
71 2HB TYR 10 1HB TYR 10 2.186 -4.295 -3.826
72 HD1 TYR 10 1HD TYR 10 1.958 -3.664 -6.235
73 HD2 TYR 10 2HD TYR 10 -1.305 -5.278 -4.028
74 HE1 TYR 10 1HE TYR 10 0.391 -2.850 -7.957
75 HE2 TYR 10 2HE TYR 10 -2.870 -4.481 -5.744
76 HH TYR 10 HH TYR 10 -1.888 -3.370 -8.786
77 H ARG 11 H ARG 11 1.725 -7.381 -6.399
78 HA ARG 11 HA ARG 11 4.165 -6.255 -7.477
79 1HB ARG 11 2HB ARG 11 4.785 -8.457 -6.543
80 2HB ARG 11 1HB ARG 11 3.521 -9.211 -7.500
81 1HG ARG 11 2HG ARG 11 4.682 -8.526 -9.545
82 2HG ARG 11 1HG ARG 11 5.951 -7.798 -8.563
83 1HD ARG 11 2HD ARG 11 5.171 -10.706 -8.462
84 2HD ARG 11 1HD ARG 11 6.521 -10.060 -9.389
85 HE ARG 11 HE ARG 11 7.244 -9.188 -7.076
86 1HH1 ARG 11 1HH1 ARG 11 5.680 -12.339 -7.656
87 2HH1 ARG 11 2HH1 ARG 11 6.525 -13.105 -6.393
88 1HH2 ARG 11 1HH2 ARG 11 8.416 -10.338 -5.356
89 2HH2 ARG 11 2HH2 ARG 11 8.069 -11.986 -5.105
90 H GLY 12 H GLY 12 3.380 -5.190 -9.142
91 1HA GLY 12 2HA GLY 12 2.540 -5.901 -11.478
92 2HA GLY 12 1HA GLY 12 1.057 -6.197 -10.566
93 HA PRO 13 HA PRO 13 1.266 -1.684 -11.343
94 1HB PRO 13 2HB PRO 13 -0.523 -1.341 -13.308
95 2HB PRO 13 1HB PRO 13 1.151 -1.784 -13.654
96 1HG PRO 13 2HG PRO 13 -1.294 -3.448 -13.693
97 2HG PRO 13 1HG PRO 13 0.152 -3.543 -14.712
98 1HD PRO 13 2HD PRO 13 -0.406 -5.172 -12.466
99 2HD PRO 13 1HD PRO 13 1.163 -5.017 -13.274
100 H CYS 14 H CYS 14 -0.233 -0.214 -10.634
101 HA CYS 14 HA CYS 14 -2.687 -1.291 -9.476
102 1HB CYS 14 2HB CYS 14 -1.140 -0.552 -7.783
103 2HB CYS 14 1HB CYS 14 -0.837 0.949 -8.634
104 H PHE 15 H PHE 15 -4.454 0.271 -9.431
105 HA PHE 15 HA PHE 15 -4.356 2.338 -11.496
106 1HB PHE 15 2HB PHE 15 -6.553 0.248 -11.286
107 2HB PHE 15 1HB PHE 15 -6.596 1.653 -12.332
108 HD1 PHE 15 1HD PHE 15 -5.176 -1.675 -11.807
109 HD2 PHE 15 2HD PHE 15 -5.250 1.742 -14.342
110 HE1 PHE 15 1HE PHE 15 -4.111 -2.986 -13.595
111 HE2 PHE 15 2HE PHE 15 -4.186 0.437 -16.133
112 HZ PHE 15 HZ PHE 15 -3.616 -1.924 -15.764
113 H THR 16 H THR 16 -6.601 0.803 -9.211
114 HA THR 16 HA THR 16 -7.626 3.413 -8.453
115 HB THR 16 HB THR 16 -8.592 0.627 -7.764
116 HG1 THR 16 1HG THR 16 -9.200 2.403 -9.888
117 1HG2 THR 16 1HG2 THR 16 -9.999 3.310 -7.697
118 2HG2 THR 16 2HG2 THR 16 -9.478 2.387 -6.287
119 3HG2 THR 16 3HG2 THR 16 -10.741 1.751 -7.340
120 H THR 17 H THR 17 -7.208 4.319 -6.468
121 HA THR 17 HA THR 17 -5.209 3.489 -4.740
122 HB THR 17 HB THR 17 -7.556 5.315 -4.219
123 HG1 THR 17 1HG THR 17 -6.329 6.825 -5.202
124 1HG2 THR 17 1HG2 THR 17 -4.837 5.354 -2.942
125 2HG2 THR 17 2HG2 THR 17 -6.236 4.590 -2.194
126 3HG2 THR 17 3HG2 THR 17 -6.235 6.329 -2.501
127 H GLY 18 H GLY 18 -8.707 2.990 -4.483
128 1HA GLY 18 2HA GLY 18 -8.725 1.831 -1.930
129 2HA GLY 18 1HA GLY 18 -9.960 1.616 -3.157
130 H SER 19 H SER 19 -7.696 0.486 -4.951
131 HA SER 19 HA SER 19 -8.215 -2.256 -4.323
132 1HB SER 19 2HB SER 19 -6.229 -1.124 -6.303
133 2HB SER 19 1HB SER 19 -6.983 -2.722 -6.335
134 HG SER 19 HG SER 19 -7.991 -1.315 -7.765
135 H CYS 20 H CYS 20 -5.592 0.008 -4.000
136 HA CYS 20 HA CYS 20 -3.683 -1.880 -3.086
137 1HB CYS 20 2HB CYS 20 -2.942 0.271 -4.041
138 2HB CYS 20 1HB CYS 20 -3.823 1.124 -2.830
139 H ASP 21 H ASP 21 -6.023 0.280 -1.597
140 HA ASP 21 HA ASP 21 -5.274 -0.119 1.084
141 1HB ASP 21 2HB ASP 21 -6.700 1.702 0.381
142 2HB ASP 21 1HB ASP 21 -7.999 0.577 -0.057
143 H ASP 22 H ASP 22 -7.617 -1.798 -0.958
144 HA ASP 22 HA ASP 22 -8.583 -3.750 0.786
145 1HB ASP 22 2HB ASP 22 -9.457 -3.580 -1.447
146 2HB ASP 22 1HB ASP 22 -7.889 -3.940 -2.157
147 H HIS 23 H HIS 23 -5.753 -3.850 -1.280
148 HA HIS 23 HA HIS 23 -4.775 -6.351 -0.514
149 1HB HIS 23 2HB HIS 23 -3.988 -5.306 -2.546
150 2HB HIS 23 1HB HIS 23 -3.359 -3.934 -1.648
151 HD1 HIS 23 1HD HIS 23 -2.623 -7.557 -2.376
152 HD2 HIS 23 2HD HIS 23 -0.826 -4.269 -0.589
153 HE1 HIS 23 1HE HIS 23 -0.300 -8.263 -1.832
154 HE2 HIS 23 2HE HIS 23 0.610 -6.329 -0.457
155 H CYS 24 H CYS 24 -3.837 -3.137 0.676
156 HA CYS 24 HA CYS 24 -1.888 -4.110 2.439
157 1HB CYS 24 2HB CYS 24 -3.409 -1.509 2.504
158 2HB CYS 24 1HB CYS 24 -1.934 -1.841 3.398
159 H LYS 25 H LYS 25 -5.357 -3.494 2.871
160 HA LYS 25 HA LYS 25 -5.182 -3.853 5.685
161 1HB LYS 25 2HB LYS 25 -7.097 -2.934 3.760
162 2HB LYS 25 1HB LYS 25 -7.831 -4.011 4.932
163 1HG LYS 25 2HG LYS 25 -6.117 -1.664 5.685
164 2HG LYS 25 1HG LYS 25 -7.867 -1.565 5.505
165 1HD LYS 25 2HD LYS 25 -8.142 -3.289 7.228
166 2HD LYS 25 1HD LYS 25 -6.392 -3.409 7.391
167 1HE LYS 25 2HE LYS 25 -7.403 -2.039 9.159
168 2HE LYS 25 1HE LYS 25 -6.273 -1.122 8.165
169 1HZ LYS 25 1HZ LYS 25 -8.161 -0.219 6.942
170 2HZ LYS 25 2HZ LYS 25 -8.278 0.135 8.580
171 3HZ LYS 25 3HZ LYS 25 -9.230 -1.086 7.913
172 H ASN 26 H ASN 26 -6.633 -5.773 3.001
173 HA ASN 26 HA ASN 26 -7.375 -7.747 4.900
174 1HB ASN 26 2HB ASN 26 -8.890 -7.395 3.115
175 2HB ASN 26 1HB ASN 26 -7.631 -7.611 1.907
176 1HD2 ASN 26 1HD2 ASN 26 -7.105 -9.650 1.259
177 2HD2 ASN 26 2HD2 ASN 26 -7.923 -11.065 1.795
178 H LYS 27 H LYS 27 -4.794 -7.449 2.496
179 HA LYS 27 HA LYS 27 -4.025 -10.172 3.123
180 1HB LYS 27 2HB LYS 27 -3.957 -9.434 0.745
181 2HB LYS 27 1HB LYS 27 -2.735 -8.256 1.179
182 1HG LYS 27 2HG LYS 27 -1.731 -10.198 0.133
183 2HG LYS 27 1HG LYS 27 -1.207 -10.055 1.809
184 1HD LYS 27 2HD LYS 27 -2.807 -11.756 2.489
185 2HD LYS 27 1HD LYS 27 -3.420 -11.861 0.837
186 1HE LYS 27 2HE LYS 27 -0.607 -12.520 1.709
187 2HE LYS 27 1HE LYS 27 -1.881 -13.704 1.437
188 1HZ LYS 27 1HZ LYS 27 -1.975 -13.006 -0.885
189 2HZ LYS 27 2HZ LYS 27 -0.427 -13.515 -0.477
190 3HZ LYS 27 3HZ LYS 27 -0.756 -11.877 -0.624
191 H GLU 28 H GLU 28 -2.567 -6.909 3.370
192 HA GLU 28 HA GLU 28 -0.385 -8.192 4.771
193 1HB GLU 28 2HB GLU 28 -0.558 -5.327 3.839
194 2HB GLU 28 1HB GLU 28 0.869 -6.097 4.535
195 1HG GLU 28 2HG GLU 28 0.613 -7.819 2.655
196 2HG GLU 28 1HG GLU 28 -0.480 -6.675 1.935
197 H HIS 29 H HIS 29 -3.201 -6.717 5.526
198 HA HIS 29 HA HIS 29 -4.247 -6.178 7.414
199 1HB HIS 29 2HB HIS 29 -3.238 -8.436 8.006
200 2HB HIS 29 1HB HIS 29 -1.978 -7.563 8.862
201 HD1 HIS 29 1HD HIS 29 -2.424 -7.366 11.282
202 HD2 HIS 29 2HD HIS 29 -5.930 -7.656 9.093
203 HE1 HIS 29 1HE HIS 29 -4.271 -7.488 12.981
204 HE2 HIS 29 2HE HIS 29 -6.396 -7.630 11.614
205 H LEU 30 H LEU 30 -2.561 -4.255 6.353
206 HA LEU 30 HA LEU 30 -1.332 -2.926 8.644
207 1HB LEU 30 2HB LEU 30 -1.145 -2.328 5.693
208 2HB LEU 30 1HB LEU 30 -0.323 -1.417 6.944
209 HG LEU 30 HG LEU 30 0.169 -4.335 6.302
210 1HD1 LEU 30 1HD1 LEU 30 1.858 -1.901 5.772
211 2HD1 LEU 30 2HD1 LEU 30 1.043 -2.907 4.569
212 3HD1 LEU 30 3HD1 LEU 30 2.358 -3.575 5.535
213 1HD2 LEU 30 1HD2 LEU 30 0.523 -3.894 8.663
214 2HD2 LEU 30 2HD2 LEU 30 1.528 -2.500 8.270
215 3HD2 LEU 30 3HD2 LEU 30 2.069 -4.124 7.846
216 H ARG 31 H ARG 31 -1.566 -0.263 7.830
217 HA ARG 31 HA ARG 31 -4.067 0.251 9.087
218 1HB ARG 31 2HB ARG 31 -1.830 1.598 9.200
219 2HB ARG 31 1HB ARG 31 -2.335 2.297 7.749
220 1HG ARG 31 2HG ARG 31 -4.417 3.146 8.721
221 2HG ARG 31 1HG ARG 31 -3.953 2.463 10.278
222 1HD ARG 31 2HD ARG 31 -1.924 3.850 10.250
223 2HD ARG 31 1HD ARG 31 -2.451 4.580 8.744
224 HE ARG 31 HE ARG 31 -4.113 4.749 11.157
225 1HH1 ARG 31 1HH1 ARG 31 -2.609 6.389 8.438
226 2HH1 ARG 31 2HH1 ARG 31 -2.775 7.969 9.059
227 1HH2 ARG 31 1HH2 ARG 31 -4.461 6.917 12.010
228 2HH2 ARG 31 2HH2 ARG 31 -3.931 8.275 11.150
229 H SER 32 H SER 32 -2.811 1.199 5.881
230 HA SER 32 HA SER 32 -5.379 0.953 4.573
231 1HB SER 32 2HB SER 32 -4.080 3.676 4.721
232 2HB SER 32 1HB SER 32 -5.621 3.266 3.990
233 HG SER 32 HG SER 32 -5.818 2.456 6.428
234 H GLY 33 H GLY 33 -4.975 2.016 2.319
235 1HA GLY 33 2HA GLY 33 -2.190 1.825 1.520
236 2HA GLY 33 1HA GLY 33 -3.315 0.673 0.805
237 H ARG 34 H ARG 34 -1.745 2.849 -0.371
238 HA ARG 34 HA ARG 34 -3.926 4.077 -1.891
239 1HB ARG 34 2HB ARG 34 -1.631 5.615 -0.688
240 2HB ARG 34 1HB ARG 34 -2.562 6.193 -2.056
241 1HG ARG 34 2HG ARG 34 -4.515 6.001 -0.785
242 2HG ARG 34 1HG ARG 34 -3.603 5.635 0.709
243 1HD ARG 34 2HD ARG 34 -3.654 8.166 -0.959
244 2HD ARG 34 1HD ARG 34 -4.049 8.002 0.747
245 HE ARG 34 HE ARG 34 -1.440 7.314 0.718
246 1HH1 ARG 34 1HH1 ARG 34 -3.155 10.097 -0.617
247 2HH1 ARG 34 2HH1 ARG 34 -1.816 11.136 -0.570
248 1HH2 ARG 34 1HH2 ARG 34 0.397 8.688 0.753
249 2HH2 ARG 34 2HH2 ARG 34 0.286 10.313 0.251
250 H CYS 35 H CYS 35 -3.306 4.998 -3.759
251 HA CYS 35 HA CYS 35 -1.260 3.308 -4.995
252 1HB CYS 35 2HB CYS 35 -3.631 2.952 -5.628
253 2HB CYS 35 1HB CYS 35 -3.669 4.580 -6.307
254 H ARG 36 H ARG 36 0.493 4.419 -5.277
255 HA ARG 36 HA ARG 36 0.362 7.250 -6.091
256 1HB ARG 36 2HB ARG 36 2.443 5.891 -4.359
257 2HB ARG 36 1HB ARG 36 2.493 7.556 -4.904
258 1HG ARG 36 2HG ARG 36 0.557 8.087 -3.610
259 2HG ARG 36 1HG ARG 36 0.343 6.407 -3.161
260 1HD ARG 36 2HD ARG 36 1.410 7.831 -1.380
261 2HD ARG 36 1HD ARG 36 2.300 6.383 -1.834
262 HE ARG 36 HE ARG 36 3.397 8.307 -3.390
263 1HH1 ARG 36 1HH1 ARG 36 2.830 8.125 0.114
264 2HH1 ARG 36 2HH1 ARG 36 4.231 9.003 0.495
265 1HH2 ARG 36 1HH2 ARG 36 5.316 9.417 -2.840
266 2HH2 ARG 36 2HH2 ARG 36 5.690 9.761 -1.196
267 H ASP 37 H ASP 37 2.673 7.772 -7.037
268 HA ASP 37 HA ASP 37 4.209 7.514 -8.673
269 1HB ASP 37 2HB ASP 37 4.071 4.629 -7.805
270 2HB ASP 37 1HB ASP 37 5.179 5.198 -9.047
271 H ASP 38 H ASP 38 1.227 6.867 -9.041
272 HA ASP 38 HA ASP 38 -0.175 6.798 -10.740
273 1HB ASP 38 2HB ASP 38 1.610 7.934 -12.108
274 2HB ASP 38 1HB ASP 38 2.163 6.350 -12.626
275 H PHE 39 H PHE 39 1.554 4.309 -9.608
276 HA PHE 39 HA PHE 39 -0.304 2.434 -10.371
277 1HB PHE 39 2HB PHE 39 1.174 0.844 -11.678
278 2HB PHE 39 1HB PHE 39 0.586 2.222 -12.570
279 HD1 PHE 39 1HD PHE 39 2.163 3.898 -13.369
280 HD2 PHE 39 2HD PHE 39 3.502 0.639 -10.987
281 HE1 PHE 39 1HE PHE 39 4.488 4.406 -13.985
282 HE2 PHE 39 2HE PHE 39 5.830 1.144 -11.599
283 HZ PHE 39 HZ PHE 39 6.321 3.027 -13.098
284 H ARG 40 H ARG 40 1.607 3.258 -8.005
285 HA ARG 40 HA ARG 40 2.351 0.497 -7.410
286 1HB ARG 40 2HB ARG 40 3.853 2.936 -6.403
287 2HB ARG 40 1HB ARG 40 4.250 1.252 -6.128
288 1HG ARG 40 2HG ARG 40 4.506 0.978 -8.601
289 2HG ARG 40 1HG ARG 40 4.373 2.728 -8.741
290 1HD ARG 40 2HD ARG 40 6.683 2.188 -8.695
291 2HD ARG 40 1HD ARG 40 6.289 2.888 -7.123
292 HE ARG 40 HE ARG 40 5.999 0.082 -7.113
293 1HH1 ARG 40 1HH1 ARG 40 8.410 2.643 -6.807
294 2HH1 ARG 40 2HH1 ARG 40 9.596 1.651 -6.126
295 1HH2 ARG 40 1HH2 ARG 40 7.582 -1.287 -6.136
296 2HH2 ARG 40 2HH2 ARG 40 9.115 -0.668 -5.722
297 H CYS 41 H CYS 41 2.009 -0.277 -5.392
298 HA CYS 41 HA CYS 41 -0.130 1.029 -3.963
299 1HB CYS 41 2HB CYS 41 -0.422 -1.174 -4.702
300 2HB CYS 41 1HB CYS 41 1.025 -1.755 -3.883
301 H TRP 42 H TRP 42 0.251 2.120 -2.257
302 HA TRP 42 HA TRP 42 2.661 1.666 -0.663
303 1HB TRP 42 2HB TRP 42 1.001 4.115 -1.199
304 2HB TRP 42 1HB TRP 42 2.130 4.004 0.144
305 HD1 TRP 42 HD TRP 42 2.179 3.847 -3.736
306 HE1 TRP 42 1HE TRP 42 4.513 4.733 -4.505
307 HE3 TRP 42 3HE TRP 42 4.321 4.600 0.817
308 HZ2 TRP 42 2HZ TRP 42 6.846 5.607 -3.348
309 HZ3 TRP 42 3HZ TRP 42 6.543 5.480 0.945
310 HH2 TRP 42 HH TRP 42 7.844 5.992 -1.105
311 H CYS 43 H CYS 43 2.213 0.669 1.177
312 HA CYS 43 HA CYS 43 -0.477 0.773 2.291
313 1HB CYS 43 2HB CYS 43 1.900 -0.934 3.032
314 2HB CYS 43 1HB CYS 43 0.292 -1.049 3.730
315 H THR 44 H THR 44 -0.900 1.891 4.140
316 HA THR 44 HA THR 44 1.250 3.430 5.297
317 HB THR 44 HB THR 44 -1.712 3.456 5.933
318 HG1 THR 44 1HG THR 44 -0.319 4.356 3.696
319 1HG2 THR 44 1HG2 THR 44 0.452 5.572 6.117
320 2HG2 THR 44 2HG2 THR 44 -0.204 4.665 7.478
321 3HG2 THR 44 3HG2 THR 44 -1.234 5.783 6.586
322 H ARG 45 H ARG 45 1.911 2.870 7.371
323 HA ARG 45 HA ARG 45 0.337 0.889 8.831
324 1HB ARG 45 2HB ARG 45 2.304 -0.483 9.226
325 2HB ARG 45 1HB ARG 45 2.071 -0.301 7.495
326 1HG ARG 45 2HG ARG 45 3.785 1.598 7.648
327 2HG ARG 45 1HG ARG 45 4.160 0.954 9.245
328 1HD ARG 45 2HD ARG 45 5.707 -0.018 7.744
329 2HD ARG 45 1HD ARG 45 4.528 -1.276 8.121
330 HE ARG 45 HE ARG 45 3.574 -0.047 5.873
331 1HH1 ARG 45 1HH1 ARG 45 6.517 -1.809 6.740
332 2HH1 ARG 45 2HH1 ARG 45 6.887 -2.268 5.156
333 1HH2 ARG 45 1HH2 ARG 45 4.125 -0.733 3.585
334 2HH2 ARG 45 2HH2 ARG 45 5.516 -1.674 3.378
335 H ASN 46 H ASN 46 0.452 1.241 11.082
336 HA ASN 46 HA ASN 46 1.550 3.616 11.983
337 1HB ASN 46 2HB ASN 46 0.364 1.190 13.264
338 2HB ASN 46 1HB ASN 46 1.126 2.469 14.193
339 1HD2 ASN 46 1HD2 ASN 46 -1.649 1.538 12.326
340 2HD2 ASN 46 2HD2 ASN 46 -2.600 2.935 12.682
341 H CYS 47 H CYS 47 3.501 4.003 12.613
342 HA CYS 47 HA CYS 47 5.276 1.786 13.196
343 1HB CYS 47 2HB CYS 47 7.113 3.158 12.089
344 2HB CYS 47 1HB CYS 47 5.913 2.488 10.988
Start of MODEL 9
1 1H LYS 1 1HT LYS 1 5.599 10.904 13.160
2 2H LYS 1 2HT LYS 1 5.343 11.448 11.567
3 3H LYS 1 3HT LYS 1 6.173 10.022 11.850
4 HA LYS 1 HA LYS 1 4.308 8.935 12.660
5 1HB LYS 1 2HB LYS 1 2.101 9.982 12.437
6 2HB LYS 1 1HB LYS 1 3.055 10.629 13.742
7 1HG LYS 1 2HG LYS 1 3.589 12.571 12.233
8 2HG LYS 1 1HG LYS 1 2.530 11.848 11.024
9 1HD LYS 1 2HD LYS 1 0.665 11.970 12.643
10 2HD LYS 1 1HD LYS 1 1.735 12.796 13.773
11 1HE LYS 1 2HE LYS 1 0.413 14.438 12.609
12 2HE LYS 1 1HE LYS 1 2.086 14.563 12.075
13 1HZ LYS 1 1HZ LYS 1 0.564 14.676 10.209
14 2HZ LYS 1 2HZ LYS 1 -0.110 13.207 10.596
15 3HZ LYS 1 3HZ LYS 1 1.497 13.289 10.076
16 H THR 2 H THR 2 2.569 8.260 11.420
17 HA THR 2 HA THR 2 2.155 6.915 9.662
18 HB THR 2 HB THR 2 1.534 7.969 7.587
19 HG1 THR 2 1HG THR 2 2.823 10.073 8.681
20 1HG2 THR 2 1HG2 THR 2 -0.494 9.064 8.514
21 2HG2 THR 2 2HG2 THR 2 0.283 9.071 10.096
22 3HG2 THR 2 3HG2 THR 2 -0.106 7.538 9.309
23 H CYS 3 H CYS 3 3.214 5.582 8.749
24 HA CYS 3 HA CYS 3 5.630 6.352 7.284
25 1HB CYS 3 2HB CYS 3 5.164 3.894 9.003
26 2HB CYS 3 1HB CYS 3 6.579 4.188 7.998
27 H GLU 4 H GLU 4 5.694 5.604 5.239
28 HA GLU 4 HA GLU 4 3.633 3.673 4.491
29 1HB GLU 4 2HB GLU 4 2.985 6.093 4.104
30 2HB GLU 4 1HB GLU 4 4.297 6.161 2.960
31 1HG GLU 4 2HG GLU 4 3.275 4.647 1.519
32 2HG GLU 4 1HG GLU 4 2.072 4.189 2.732
33 H ASN 5 H ASN 5 4.406 2.132 3.285
34 HA ASN 5 HA ASN 5 6.785 2.501 1.640
35 1HB ASN 5 2HB ASN 5 6.496 0.411 3.830
36 2HB ASN 5 1HB ASN 5 7.610 0.236 2.489
37 1HD2 ASN 5 1HD2 ASN 5 8.512 2.977 2.428
38 2HD2 ASN 5 2HD2 ASN 5 9.445 3.240 3.834
39 H LEU 6 H LEU 6 7.089 0.607 0.265
40 HA LEU 6 HA LEU 6 4.783 0.199 -1.179
41 1HB LEU 6 2HB LEU 6 7.512 -0.906 -1.092
42 2HB LEU 6 1HB LEU 6 6.331 -1.473 -2.244
43 HG LEU 6 HG LEU 6 7.273 1.391 -2.019
44 1HD1 LEU 6 1HD1 LEU 6 8.050 -0.756 -3.993
45 2HD1 LEU 6 2HD1 LEU 6 9.088 -0.088 -2.734
46 3HD1 LEU 6 3HD1 LEU 6 8.542 0.936 -4.061
47 1HD2 LEU 6 1HD2 LEU 6 5.642 -0.044 -4.107
48 2HD2 LEU 6 2HD2 LEU 6 6.188 1.628 -4.192
49 3HD2 LEU 6 3HD2 LEU 6 5.035 1.150 -2.961
50 H ALA 7 H ALA 7 3.439 -1.509 -1.328
51 HA ALA 7 HA ALA 7 3.146 -3.364 0.748
52 1HB ALA 7 1HB ALA 7 1.308 -2.747 -0.697
53 2HB ALA 7 2HB ALA 7 1.605 -4.481 -0.863
54 3HB ALA 7 3HB ALA 7 2.176 -3.354 -2.099
55 H ASN 8 H ASN 8 4.267 -5.138 1.117
56 HA ASN 8 HA ASN 8 6.477 -5.765 -0.608
57 1HB ASN 8 2HB ASN 8 5.595 -7.032 1.980
58 2HB ASN 8 1HB ASN 8 7.004 -7.558 1.068
59 1HD2 ASN 8 1HD2 ASN 8 8.805 -6.196 0.965
60 2HD2 ASN 8 2HD2 ASN 8 9.009 -4.895 2.085
61 H THR 9 H THR 9 3.330 -6.989 -0.180
62 HA THR 9 HA THR 9 4.157 -9.299 -1.750
63 HB THR 9 HB THR 9 1.895 -10.312 -1.060
64 HG1 THR 9 1HG THR 9 1.997 -8.010 0.597
65 1HG2 THR 9 1HG2 THR 9 2.765 -11.048 1.122
66 2HG2 THR 9 2HG2 THR 9 3.971 -9.762 1.067
67 3HG2 THR 9 3HG2 THR 9 4.021 -11.068 -0.116
68 H TYR 10 H TYR 10 3.378 -6.494 -2.600
69 HA TYR 10 HA TYR 10 1.576 -7.355 -4.768
70 1HB TYR 10 2HB TYR 10 0.502 -5.672 -3.192
71 2HB TYR 10 1HB TYR 10 1.804 -4.584 -3.608
72 HD1 TYR 10 1HD TYR 10 -1.360 -6.000 -4.745
73 HD2 TYR 10 2HD TYR 10 1.954 -3.570 -5.855
74 HE1 TYR 10 1HE TYR 10 -2.650 -5.094 -6.643
75 HE2 TYR 10 2HE TYR 10 0.680 -2.668 -7.742
76 HH TYR 10 HH TYR 10 -1.229 -3.357 -9.160
77 H ARG 11 H ARG 11 2.635 -7.342 -6.635
78 HA ARG 11 HA ARG 11 4.896 -5.491 -6.939
79 1HB ARG 11 2HB ARG 11 6.013 -7.142 -8.290
80 2HB ARG 11 1HB ARG 11 5.550 -7.904 -6.778
81 1HG ARG 11 2HG ARG 11 3.560 -8.864 -7.970
82 2HG ARG 11 1HG ARG 11 4.230 -8.196 -9.454
83 1HD ARG 11 2HD ARG 11 4.869 -10.499 -9.299
84 2HD ARG 11 1HD ARG 11 6.296 -9.485 -9.066
85 HE ARG 11 HE ARG 11 4.808 -10.613 -6.808
86 1HH1 ARG 11 1HH1 ARG 11 7.887 -10.112 -8.488
87 2HH1 ARG 11 2HH1 ARG 11 8.829 -10.894 -7.319
88 1HH2 ARG 11 1HH2 ARG 11 6.116 -11.736 -5.193
89 2HH2 ARG 11 2HH2 ARG 11 7.795 -11.876 -5.415
90 H GLY 12 H GLY 12 5.355 -5.187 -9.366
91 1HA GLY 12 2HA GLY 12 4.693 -4.713 -11.499
92 2HA GLY 12 1HA GLY 12 3.144 -5.482 -11.164
93 HA PRO 13 HA PRO 13 2.403 -0.931 -11.344
94 1HB PRO 13 2HB PRO 13 0.241 -1.665 -13.182
95 2HB PRO 13 1HB PRO 13 1.564 -0.521 -13.428
96 1HG PRO 13 2HG PRO 13 1.468 -2.846 -14.759
97 2HG PRO 13 1HG PRO 13 2.999 -2.133 -14.211
98 1HD PRO 13 2HD PRO 13 1.379 -4.315 -12.926
99 2HD PRO 13 1HD PRO 13 3.130 -4.266 -13.241
100 H CYS 14 H CYS 14 0.895 0.048 -10.229
101 HA CYS 14 HA CYS 14 -0.989 -1.465 -8.702
102 1HB CYS 14 2HB CYS 14 0.207 0.280 -7.601
103 2HB CYS 14 1HB CYS 14 -0.264 1.448 -8.826
104 H PHE 15 H PHE 15 -3.061 -1.582 -9.047
105 HA PHE 15 HA PHE 15 -4.077 -0.518 -11.515
106 1HB PHE 15 2HB PHE 15 -5.484 -2.228 -9.461
107 2HB PHE 15 1HB PHE 15 -6.032 -1.899 -11.102
108 HD1 PHE 15 1HD PHE 15 -4.094 -2.424 -12.921
109 HD2 PHE 15 2HD PHE 15 -4.547 -4.286 -9.132
110 HE1 PHE 15 1HE PHE 15 -2.835 -4.375 -13.734
111 HE2 PHE 15 2HE PHE 15 -3.288 -6.240 -9.933
112 HZ PHE 15 HZ PHE 15 -2.430 -6.285 -12.234
113 H THR 16 H THR 16 -5.217 -0.424 -8.098
114 HA THR 16 HA THR 16 -5.911 2.361 -8.474
115 HB THR 16 HB THR 16 -8.196 1.798 -7.330
116 HG1 THR 16 1HG THR 16 -7.909 -0.575 -8.791
117 1HG2 THR 16 1HG2 THR 16 -7.774 1.250 -10.273
118 2HG2 THR 16 2HG2 THR 16 -8.083 2.825 -9.543
119 3HG2 THR 16 3HG2 THR 16 -9.332 1.586 -9.520
120 H THR 17 H THR 17 -6.507 3.404 -6.404
121 HA THR 17 HA THR 17 -5.001 2.564 -4.199
122 HB THR 17 HB THR 17 -7.263 4.563 -4.505
123 HG1 THR 17 1HG THR 17 -5.587 5.430 -5.421
124 1HG2 THR 17 1HG2 THR 17 -5.556 4.098 -2.034
125 2HG2 THR 17 2HG2 THR 17 -7.289 3.849 -2.168
126 3HG2 THR 17 3HG2 THR 17 -6.625 5.475 -2.288
127 H GLY 18 H GLY 18 -8.300 2.060 -5.241
128 1HA GLY 18 2HA GLY 18 -9.457 0.983 -2.946
129 2HA GLY 18 1HA GLY 18 -9.931 0.584 -4.588
130 H SER 19 H SER 19 -7.526 -0.717 -5.466
131 HA SER 19 HA SER 19 -7.973 -3.212 -4.134
132 1HB SER 19 2HB SER 19 -6.316 -4.018 -5.938
133 2HB SER 19 1HB SER 19 -7.896 -3.441 -6.463
134 HG SER 19 HG SER 19 -6.693 -2.355 -7.723
135 H CYS 20 H CYS 20 -5.493 -0.820 -4.385
136 HA CYS 20 HA CYS 20 -3.428 -2.234 -3.109
137 1HB CYS 20 2HB CYS 20 -3.062 -0.029 -4.301
138 2HB CYS 20 1HB CYS 20 -4.017 0.723 -3.085
139 H ASP 21 H ASP 21 -5.959 -0.101 -1.841
140 HA ASP 21 HA ASP 21 -5.304 -0.225 0.894
141 1HB ASP 21 2HB ASP 21 -6.749 1.455 -0.068
142 2HB ASP 21 1HB ASP 21 -7.983 0.245 -0.463
143 H ASP 22 H ASP 22 -7.525 -2.118 -1.077
144 HA ASP 22 HA ASP 22 -8.585 -3.903 0.781
145 1HB ASP 22 2HB ASP 22 -9.388 -3.848 -1.499
146 2HB ASP 22 1HB ASP 22 -7.804 -4.263 -2.121
147 H HIS 23 H HIS 23 -5.720 -4.237 -1.207
148 HA HIS 23 HA HIS 23 -4.776 -6.664 -0.209
149 1HB HIS 23 2HB HIS 23 -3.988 -5.820 -2.315
150 2HB HIS 23 1HB HIS 23 -3.374 -4.359 -1.563
151 HD1 HIS 23 1HD HIS 23 -2.581 -8.019 -1.966
152 HD2 HIS 23 2HD HIS 23 -0.852 -4.552 -0.475
153 HE1 HIS 23 1HE HIS 23 -0.216 -8.605 -1.498
154 HE2 HIS 23 2HE HIS 23 0.684 -6.567 -0.278
155 H CYS 24 H CYS 24 -3.825 -3.355 0.685
156 HA CYS 24 HA CYS 24 -1.896 -4.181 2.537
157 1HB CYS 24 2HB CYS 24 -3.336 -1.554 2.254
158 2HB CYS 24 1HB CYS 24 -1.979 -1.805 3.340
159 H LYS 25 H LYS 25 -5.424 -3.543 3.003
160 HA LYS 25 HA LYS 25 -5.150 -3.640 5.794
161 1HB LYS 25 2HB LYS 25 -7.363 -3.586 3.826
162 2HB LYS 25 1HB LYS 25 -7.657 -3.818 5.533
163 1HG LYS 25 2HG LYS 25 -6.620 -1.665 6.011
164 2HG LYS 25 1HG LYS 25 -6.235 -1.472 4.298
165 1HD LYS 25 2HD LYS 25 -8.603 -1.506 3.754
166 2HD LYS 25 1HD LYS 25 -8.998 -1.706 5.465
167 1HE LYS 25 2HE LYS 25 -8.022 0.450 5.967
168 2HE LYS 25 1HE LYS 25 -7.479 0.605 4.306
169 1HZ LYS 25 1HZ LYS 25 -9.501 1.856 4.759
170 2HZ LYS 25 2HZ LYS 25 -10.330 0.427 5.089
171 3HZ LYS 25 3HZ LYS 25 -9.654 0.704 3.537
172 H ASN 26 H ASN 26 -6.390 -5.888 3.276
173 HA ASN 26 HA ASN 26 -7.095 -7.784 5.269
174 1HB ASN 26 2HB ASN 26 -8.474 -7.678 3.338
175 2HB ASN 26 1HB ASN 26 -7.099 -7.876 2.262
176 1HD2 ASN 26 1HD2 ASN 26 -6.394 -9.889 1.789
177 2HD2 ASN 26 2HD2 ASN 26 -7.151 -11.326 2.348
178 H LYS 27 H LYS 27 -4.464 -7.599 2.894
179 HA LYS 27 HA LYS 27 -3.462 -10.132 3.890
180 1HB LYS 27 2HB LYS 27 -3.440 -9.968 1.501
181 2HB LYS 27 1HB LYS 27 -2.636 -8.413 1.556
182 1HG LYS 27 2HG LYS 27 -1.121 -10.175 0.806
183 2HG LYS 27 1HG LYS 27 -0.578 -9.471 2.321
184 1HD LYS 27 2HD LYS 27 -0.275 -11.874 2.390
185 2HD LYS 27 1HD LYS 27 -1.536 -11.414 3.524
186 1HE LYS 27 2HE LYS 27 -3.242 -12.123 1.929
187 2HE LYS 27 1HE LYS 27 -1.996 -12.531 0.753
188 1HZ LYS 27 1HZ LYS 27 -1.168 -14.227 2.266
189 2HZ LYS 27 2HZ LYS 27 -2.822 -14.473 1.992
190 3HZ LYS 27 3HZ LYS 27 -2.313 -13.792 3.423
191 H GLU 28 H GLU 28 -2.299 -6.756 3.682
192 HA GLU 28 HA GLU 28 -0.005 -7.694 5.184
193 1HB GLU 28 2HB GLU 28 -0.357 -5.013 3.834
194 2HB GLU 28 1HB GLU 28 1.122 -5.558 4.630
195 1HG GLU 28 2HG GLU 28 0.947 -7.600 3.057
196 2HG GLU 28 1HG GLU 28 -0.187 -6.640 2.164
197 H HIS 29 H HIS 29 -2.888 -6.443 5.844
198 HA HIS 29 HA HIS 29 -3.950 -5.779 7.684
199 1HB HIS 29 2HB HIS 29 -1.544 -7.024 9.023
200 2HB HIS 29 1HB HIS 29 -2.970 -6.488 9.903
201 HD1 HIS 29 1HD HIS 29 -1.625 -9.321 8.006
202 HD2 HIS 29 2HD HIS 29 -5.351 -7.978 9.214
203 HE1 HIS 29 1HE HIS 29 -3.165 -11.287 7.751
204 HE2 HIS 29 2HE HIS 29 -5.352 -10.508 8.669
205 H LEU 30 H LEU 30 -2.371 -3.785 6.446
206 HA LEU 30 HA LEU 30 -1.474 -2.213 8.732
207 1HB LEU 30 2HB LEU 30 -0.941 -1.786 5.796
208 2HB LEU 30 1HB LEU 30 -0.350 -0.749 7.077
209 HG LEU 30 HG LEU 30 0.420 -3.637 6.631
210 1HD1 LEU 30 1HD1 LEU 30 1.998 -1.098 6.351
211 2HD1 LEU 30 2HD1 LEU 30 1.505 -2.199 5.059
212 3HD1 LEU 30 3HD1 LEU 30 2.663 -2.727 6.272
213 1HD2 LEU 30 1HD2 LEU 30 2.009 -3.310 8.478
214 2HD2 LEU 30 2HD2 LEU 30 0.337 -3.215 9.006
215 3HD2 LEU 30 3HD2 LEU 30 1.284 -1.736 8.812
216 H ARG 31 H ARG 31 -1.737 0.340 7.787
217 HA ARG 31 HA ARG 31 -4.299 0.943 8.768
218 1HB ARG 31 2HB ARG 31 -2.163 2.435 8.720
219 2HB ARG 31 1HB ARG 31 -2.599 2.741 7.103
220 1HG ARG 31 2HG ARG 31 -3.404 4.586 8.317
221 2HG ARG 31 1HG ARG 31 -4.796 3.651 7.787
222 1HD ARG 31 2HD ARG 31 -3.554 3.581 10.523
223 2HD ARG 31 1HD ARG 31 -5.004 4.484 10.128
224 HE ARG 31 HE ARG 31 -4.732 1.568 10.283
225 1HH1 ARG 31 1HH1 ARG 31 -6.883 4.396 10.078
226 2HH1 ARG 31 2HH1 ARG 31 -8.279 3.499 10.427
227 1HH2 ARG 31 1HH2 ARG 31 -6.660 0.383 10.742
228 2HH2 ARG 31 2HH2 ARG 31 -8.154 1.169 10.841
229 H SER 32 H SER 32 -2.971 1.495 5.547
230 HA SER 32 HA SER 32 -5.456 0.971 4.177
231 1HB SER 32 2HB SER 32 -4.251 3.741 4.021
232 2HB SER 32 1HB SER 32 -5.773 3.170 3.360
233 HG SER 32 HG SER 32 -6.110 2.750 5.850
234 H GLY 33 H GLY 33 -4.921 1.746 1.832
235 1HA GLY 33 2HA GLY 33 -2.073 1.589 1.303
236 2HA GLY 33 1HA GLY 33 -3.116 0.399 0.528
237 H ARG 34 H ARG 34 -1.514 2.715 -0.478
238 HA ARG 34 HA ARG 34 -3.666 3.856 -2.079
239 1HB ARG 34 2HB ARG 34 -1.661 5.455 -0.540
240 2HB ARG 34 1HB ARG 34 -2.376 6.073 -2.025
241 1HG ARG 34 2HG ARG 34 -4.521 5.924 -1.137
242 2HG ARG 34 1HG ARG 34 -3.963 5.154 0.355
243 1HD ARG 34 2HD ARG 34 -3.276 7.954 -0.583
244 2HD ARG 34 1HD ARG 34 -4.398 7.558 0.714
245 HE ARG 34 HE ARG 34 -1.604 6.701 0.901
246 1HH1 ARG 34 1HH1 ARG 34 -4.194 8.763 2.122
247 2HH1 ARG 34 2HH1 ARG 34 -3.379 9.200 3.539
248 1HH2 ARG 34 1HH2 ARG 34 -0.488 7.266 2.792
249 2HH2 ARG 34 2HH2 ARG 34 -1.166 8.345 3.944
250 H CYS 35 H CYS 35 -3.329 4.597 -3.903
251 HA CYS 35 HA CYS 35 -1.058 3.336 -5.235
252 1HB CYS 35 2HB CYS 35 -3.507 2.928 -5.783
253 2HB CYS 35 1HB CYS 35 -3.512 4.542 -6.476
254 H ARG 36 H ARG 36 0.565 4.653 -5.728
255 HA ARG 36 HA ARG 36 0.053 7.532 -5.745
256 1HB ARG 36 2HB ARG 36 2.663 6.068 -5.399
257 2HB ARG 36 1HB ARG 36 2.445 7.807 -5.303
258 1HG ARG 36 2HG ARG 36 0.906 7.446 -3.377
259 2HG ARG 36 1HG ARG 36 1.307 5.737 -3.452
260 1HD ARG 36 2HD ARG 36 2.630 6.865 -1.773
261 2HD ARG 36 1HD ARG 36 3.672 6.243 -3.036
262 HE ARG 36 HE ARG 36 2.842 9.040 -2.695
263 1HH1 ARG 36 1HH1 ARG 36 5.081 6.800 -4.282
264 2HH1 ARG 36 2HH1 ARG 36 6.357 7.917 -4.326
265 1HH2 ARG 36 1HH2 ARG 36 4.607 10.581 -2.828
266 2HH2 ARG 36 2HH2 ARG 36 6.098 10.091 -3.522
267 H ASP 37 H ASP 37 2.219 8.495 -7.075
268 HA ASP 37 HA ASP 37 1.312 8.150 -9.807
269 1HB ASP 37 2HB ASP 37 3.593 9.863 -8.793
270 2HB ASP 37 1HB ASP 37 2.961 9.880 -10.429
271 H ASP 38 H ASP 38 3.736 6.776 -7.930
272 HA ASP 38 HA ASP 38 5.417 5.955 -10.118
273 1HB ASP 38 2HB ASP 38 6.578 4.591 -8.395
274 2HB ASP 38 1HB ASP 38 6.439 6.282 -7.929
275 H PHE 39 H PHE 39 2.465 5.164 -9.090
276 HA PHE 39 HA PHE 39 1.045 3.508 -9.222
277 1HB PHE 39 2HB PHE 39 2.530 3.060 -11.800
278 2HB PHE 39 1HB PHE 39 1.136 2.105 -11.343
279 HD1 PHE 39 1HD PHE 39 2.271 5.369 -12.434
280 HD2 PHE 39 2HD PHE 39 -1.069 3.091 -11.153
281 HE1 PHE 39 1HE PHE 39 0.763 7.110 -13.294
282 HE2 PHE 39 2HE PHE 39 -2.593 4.823 -12.006
283 HZ PHE 39 HZ PHE 39 -1.677 6.839 -13.078
284 H ARG 40 H ARG 40 2.633 2.857 -7.367
285 HA ARG 40 HA ARG 40 2.416 -0.018 -7.575
286 1HB ARG 40 2HB ARG 40 4.635 1.495 -6.176
287 2HB ARG 40 1HB ARG 40 4.319 -0.216 -5.954
288 1HG ARG 40 2HG ARG 40 4.701 -0.505 -8.412
289 2HG ARG 40 1HG ARG 40 5.248 1.172 -8.447
290 1HD ARG 40 2HD ARG 40 7.143 -0.328 -8.255
291 2HD ARG 40 1HD ARG 40 6.968 0.623 -6.780
292 HE ARG 40 HE ARG 40 5.585 -1.637 -6.228
293 1HH1 ARG 40 1HH1 ARG 40 8.891 -1.036 -7.316
294 2HH1 ARG 40 2HH1 ARG 40 9.537 -2.447 -6.612
295 1HH2 ARG 40 1HH2 ARG 40 6.474 -3.603 -5.247
296 2HH2 ARG 40 2HH2 ARG 40 8.129 -3.919 -5.408
297 H CYS 41 H CYS 41 2.039 -0.965 -5.401
298 HA CYS 41 HA CYS 41 0.118 0.681 -4.055
299 1HB CYS 41 2HB CYS 41 -0.434 -1.577 -4.610
300 2HB CYS 41 1HB CYS 41 0.944 -2.203 -3.706
301 H TRP 42 H TRP 42 0.577 1.813 -2.367
302 HA TRP 42 HA TRP 42 2.919 1.167 -0.736
303 1HB TRP 42 2HB TRP 42 1.435 3.741 -1.260
304 2HB TRP 42 1HB TRP 42 2.600 3.548 0.036
305 HD1 TRP 42 HD TRP 42 2.498 3.327 -3.837
306 HE1 TRP 42 1HE TRP 42 4.776 4.106 -4.727
307 HE3 TRP 42 3HE TRP 42 4.874 4.036 0.632
308 HZ2 TRP 42 2HZ TRP 42 7.260 4.926 -3.640
309 HZ3 TRP 42 3HZ TRP 42 7.142 4.819 0.644
310 HH2 TRP 42 HH TRP 42 8.358 5.260 -1.441
311 H CYS 43 H CYS 43 2.422 0.445 1.238
312 HA CYS 43 HA CYS 43 -0.336 0.642 2.138
313 1HB CYS 43 2HB CYS 43 1.983 -0.974 3.218
314 2HB CYS 43 1HB CYS 43 0.335 -1.003 3.837
315 H THR 44 H THR 44 -0.873 1.960 3.783
316 HA THR 44 HA THR 44 1.145 3.732 4.824
317 HB THR 44 HB THR 44 -1.859 3.643 5.206
318 HG1 THR 44 1HG THR 44 -0.389 5.061 3.178
319 1HG2 THR 44 1HG2 THR 44 0.145 5.896 5.533
320 2HG2 THR 44 2HG2 THR 44 -0.717 5.054 6.831
321 3HG2 THR 44 3HG2 THR 44 -1.606 6.059 5.696
322 H ARG 45 H ARG 45 1.859 3.381 6.939
323 HA ARG 45 HA ARG 45 0.004 1.962 8.630
324 1HB ARG 45 2HB ARG 45 1.813 0.715 9.758
325 2HB ARG 45 1HB ARG 45 1.639 0.281 8.073
326 1HG ARG 45 2HG ARG 45 3.623 1.645 7.542
327 2HG ARG 45 1HG ARG 45 3.794 2.019 9.262
328 1HD ARG 45 2HD ARG 45 4.031 -0.354 9.776
329 2HD ARG 45 1HD ARG 45 3.814 -0.756 8.078
330 HE ARG 45 HE ARG 45 6.023 1.018 8.640
331 1HH1 ARG 45 1HH1 ARG 45 5.052 -2.382 8.355
332 2HH1 ARG 45 2HH1 ARG 45 6.616 -2.914 7.960
333 1HH2 ARG 45 1HH2 ARG 45 8.149 0.250 8.135
334 2HH2 ARG 45 2HH2 ARG 45 8.405 -1.413 7.841
335 H ASN 46 H ASN 46 -0.093 2.573 10.751
336 HA ASN 46 HA ASN 46 0.760 5.222 11.214
337 1HB ASN 46 2HB ASN 46 -0.979 3.198 12.514
338 2HB ASN 46 1HB ASN 46 -0.318 4.508 13.475
339 1HD2 ASN 46 1HD2 ASN 46 -1.060 5.080 10.110
340 2HD2 ASN 46 2HD2 ASN 46 -2.474 6.032 10.372
341 H CYS 47 H CYS 47 2.425 5.806 12.346
342 HA CYS 47 HA CYS 47 3.783 3.926 14.050
343 1HB CYS 47 2HB CYS 47 5.977 4.950 13.184
344 2HB CYS 47 1HB CYS 47 5.159 3.843 12.086
Start of MODEL 10
1 1H LYS 1 1HT LYS 1 3.952 6.454 14.878
2 2H LYS 1 2HT LYS 1 2.359 6.928 14.994
3 3H LYS 1 3HT LYS 1 3.545 7.904 15.701
4 HA LYS 1 HA LYS 1 2.740 8.862 13.636
5 1HB LYS 1 2HB LYS 1 5.386 7.487 13.000
6 2HB LYS 1 1HB LYS 1 4.773 8.945 12.255
7 1HG LYS 1 2HG LYS 1 6.430 9.736 13.684
8 2HG LYS 1 1HG LYS 1 4.962 9.970 14.632
9 1HD LYS 1 2HD LYS 1 5.424 7.756 15.716
10 2HD LYS 1 1HD LYS 1 6.951 7.732 14.850
11 1HE LYS 1 2HE LYS 1 7.701 9.725 15.985
12 2HE LYS 1 1HE LYS 1 6.138 9.889 16.791
13 1HZ LYS 1 1HZ LYS 1 8.083 7.674 17.163
14 2HZ LYS 1 2HZ LYS 1 6.557 7.728 17.851
15 3HZ LYS 1 3HZ LYS 1 7.714 8.872 18.294
16 H THR 2 H THR 2 3.204 8.325 11.109
17 HA THR 2 HA THR 2 2.238 5.609 10.695
18 HB THR 2 HB THR 2 1.209 6.521 8.557
19 HG1 THR 2 1HG THR 2 2.286 8.731 9.308
20 1HG2 THR 2 1HG2 THR 2 0.023 7.286 11.223
21 2HG2 THR 2 2HG2 THR 2 -0.153 5.739 10.397
22 3HG2 THR 2 3HG2 THR 2 -0.879 7.190 9.712
23 H CYS 3 H CYS 3 3.274 4.436 9.319
24 HA CYS 3 HA CYS 3 5.499 5.670 7.851
25 1HB CYS 3 2HB CYS 3 5.412 2.975 9.239
26 2HB CYS 3 1HB CYS 3 6.734 3.571 8.242
27 H GLU 4 H GLU 4 5.536 5.196 5.709
28 HA GLU 4 HA GLU 4 3.516 3.272 4.803
29 1HB GLU 4 2HB GLU 4 3.076 5.751 4.402
30 2HB GLU 4 1HB GLU 4 4.457 5.707 3.340
31 1HG GLU 4 2HG GLU 4 3.436 4.320 1.828
32 2HG GLU 4 1HG GLU 4 2.129 3.885 2.932
33 H ASN 5 H ASN 5 4.105 1.811 3.340
34 HA ASN 5 HA ASN 5 6.739 1.951 2.060
35 1HB ASN 5 2HB ASN 5 5.777 -0.404 3.711
36 2HB ASN 5 1HB ASN 5 7.175 -0.418 2.656
37 1HD2 ASN 5 1HD2 ASN 5 9.007 0.715 3.262
38 2HD2 ASN 5 2HD2 ASN 5 9.262 1.190 4.902
39 H LEU 6 H LEU 6 6.937 0.163 0.508
40 HA LEU 6 HA LEU 6 4.652 0.212 -1.139
41 1HB LEU 6 2HB LEU 6 7.337 -0.973 -1.139
42 2HB LEU 6 1HB LEU 6 6.189 -1.320 -2.407
43 HG LEU 6 HG LEU 6 7.214 1.441 -1.709
44 1HD1 LEU 6 1HD1 LEU 6 9.003 -0.048 -2.552
45 2HD1 LEU 6 2HD1 LEU 6 8.617 1.247 -3.674
46 3HD1 LEU 6 3HD1 LEU 6 8.020 -0.386 -3.981
47 1HD2 LEU 6 1HD2 LEU 6 6.248 2.044 -3.864
48 2HD2 LEU 6 2HD2 LEU 6 5.019 1.391 -2.787
49 3HD2 LEU 6 3HD2 LEU 6 5.685 0.387 -4.076
50 H ALA 7 H ALA 7 3.311 -1.464 -1.589
51 HA ALA 7 HA ALA 7 2.899 -3.522 0.262
52 1HB ALA 7 1HB ALA 7 1.324 -4.392 -1.411
53 2HB ALA 7 2HB ALA 7 1.974 -3.245 -2.590
54 3HB ALA 7 3HB ALA 7 1.131 -2.658 -1.160
55 H ASN 8 H ASN 8 3.544 -5.588 0.297
56 HA ASN 8 HA ASN 8 5.989 -6.181 -1.130
57 1HB ASN 8 2HB ASN 8 4.458 -7.841 0.880
58 2HB ASN 8 1HB ASN 8 6.077 -8.165 0.288
59 1HD2 ASN 8 1HD2 ASN 8 4.113 -6.197 2.317
60 2HD2 ASN 8 2HD2 ASN 8 5.375 -5.460 3.223
61 H THR 9 H THR 9 2.704 -7.392 -0.872
62 HA THR 9 HA THR 9 3.348 -9.608 -2.600
63 HB THR 9 HB THR 9 0.692 -8.938 -1.308
64 HG1 THR 9 1HG THR 9 3.072 -9.837 -0.313
65 1HG2 THR 9 1HG2 THR 9 0.593 -10.667 -3.074
66 2HG2 THR 9 2HG2 THR 9 0.284 -11.362 -1.483
67 3HG2 THR 9 3HG2 THR 9 1.861 -11.572 -2.248
68 H TYR 10 H TYR 10 2.376 -6.613 -2.969
69 HA TYR 10 HA TYR 10 0.602 -7.056 -5.272
70 1HB TYR 10 2HB TYR 10 0.153 -5.203 -3.622
71 2HB TYR 10 1HB TYR 10 1.587 -4.391 -4.243
72 HD1 TYR 10 1HD TYR 10 1.558 -3.425 -6.529
73 HD2 TYR 10 2HD TYR 10 -1.903 -5.225 -4.829
74 HE1 TYR 10 1HE TYR 10 0.158 -2.339 -8.235
75 HE2 TYR 10 2HE TYR 10 -3.310 -4.147 -6.535
76 HH TYR 10 HH TYR 10 -2.017 -2.683 -9.297
77 H ARG 11 H ARG 11 1.672 -7.713 -6.953
78 HA ARG 11 HA ARG 11 4.221 -6.411 -7.633
79 1HB ARG 11 2HB ARG 11 3.906 -9.022 -7.264
80 2HB ARG 11 1HB ARG 11 3.249 -8.966 -8.886
81 1HG ARG 11 2HG ARG 11 6.039 -8.133 -8.073
82 2HG ARG 11 1HG ARG 11 5.599 -9.643 -8.857
83 1HD ARG 11 2HD ARG 11 4.847 -8.353 -10.827
84 2HD ARG 11 1HD ARG 11 5.346 -6.865 -10.017
85 HE ARG 11 HE ARG 11 7.292 -9.001 -10.484
86 1HH1 ARG 11 1HH1 ARG 11 6.296 -5.642 -11.098
87 2HH1 ARG 11 2HH1 ARG 11 7.685 -5.262 -11.996
88 1HH2 ARG 11 1HH2 ARG 11 9.188 -8.434 -11.725
89 2HH2 ARG 11 2HH2 ARG 11 9.348 -6.852 -12.356
90 H GLY 12 H GLY 12 4.091 -5.001 -9.294
91 1HA GLY 12 2HA GLY 12 3.498 -4.810 -11.650
92 2HA GLY 12 1HA GLY 12 1.888 -5.356 -11.193
93 HA PRO 13 HA PRO 13 2.016 -0.743 -10.942
94 1HB PRO 13 2HB PRO 13 0.106 -0.573 -13.081
95 2HB PRO 13 1HB PRO 13 1.770 0.005 -13.052
96 1HG PRO 13 2HG PRO 13 0.894 -2.066 -14.627
97 2HG PRO 13 1HG PRO 13 2.570 -1.854 -14.089
98 1HD PRO 13 2HD PRO 13 0.432 -3.634 -12.973
99 2HD PRO 13 1HD PRO 13 2.160 -3.972 -13.220
100 H CYS 14 H CYS 14 0.504 0.535 -10.123
101 HA CYS 14 HA CYS 14 -2.041 -0.626 -9.291
102 1HB CYS 14 2HB CYS 14 -0.627 0.043 -7.442
103 2HB CYS 14 1HB CYS 14 -0.329 1.609 -8.187
104 H PHE 15 H PHE 15 -3.897 0.487 -9.807
105 HA PHE 15 HA PHE 15 -3.495 2.823 -11.533
106 1HB PHE 15 2HB PHE 15 -5.699 0.753 -11.710
107 2HB PHE 15 1HB PHE 15 -5.517 2.153 -12.752
108 HD1 PHE 15 1HD PHE 15 -3.553 2.279 -14.295
109 HD2 PHE 15 2HD PHE 15 -4.508 -1.251 -12.108
110 HE1 PHE 15 1HE PHE 15 -2.156 0.953 -15.826
111 HE2 PHE 15 2HE PHE 15 -3.111 -2.580 -13.635
112 HZ PHE 15 HZ PHE 15 -1.932 -1.479 -15.495
113 H THR 16 H THR 16 -5.079 1.567 -8.718
114 HA THR 16 HA THR 16 -6.245 4.140 -8.204
115 HB THR 16 HB THR 16 -8.003 1.674 -8.475
116 HG1 THR 16 1HG THR 16 -7.214 3.578 -10.136
117 1HG2 THR 16 1HG2 THR 16 -9.864 3.243 -8.017
118 2HG2 THR 16 2HG2 THR 16 -8.683 4.506 -7.651
119 3HG2 THR 16 3HG2 THR 16 -8.782 3.061 -6.644
120 H THR 17 H THR 17 -6.452 4.562 -6.041
121 HA THR 17 HA THR 17 -5.013 3.236 -4.130
122 HB THR 17 HB THR 17 -7.190 5.294 -3.980
123 HG1 THR 17 1HG THR 17 -5.587 6.601 -4.184
124 1HG2 THR 17 1HG2 THR 17 -5.564 4.243 -1.632
125 2HG2 THR 17 2HG2 THR 17 -7.311 4.155 -1.822
126 3HG2 THR 17 3HG2 THR 17 -6.531 5.717 -1.615
127 H GLY 18 H GLY 18 -8.468 2.867 -4.791
128 1HA GLY 18 2HA GLY 18 -9.222 1.365 -2.586
129 2HA GLY 18 1HA GLY 18 -9.958 1.240 -4.174
130 H SER 19 H SER 19 -7.493 0.280 -5.465
131 HA SER 19 HA SER 19 -7.902 -2.511 -4.938
132 1HB SER 19 2HB SER 19 -5.798 -1.212 -6.677
133 2HB SER 19 1HB SER 19 -6.457 -2.842 -6.828
134 HG SER 19 HG SER 19 -8.512 -1.797 -7.205
135 H CYS 20 H CYS 20 -5.708 -0.049 -4.065
136 HA CYS 20 HA CYS 20 -3.588 -1.793 -3.206
137 1HB CYS 20 2HB CYS 20 -3.111 0.501 -4.146
138 2HB CYS 20 1HB CYS 20 -4.013 1.175 -2.841
139 H ASP 21 H ASP 21 -5.999 0.353 -1.742
140 HA ASP 21 HA ASP 21 -5.296 0.049 0.942
141 1HB ASP 21 2HB ASP 21 -6.660 1.832 0.254
142 2HB ASP 21 1HB ASP 21 -7.967 0.761 -0.309
143 H ASP 22 H ASP 22 -7.797 -1.690 -0.894
144 HA ASP 22 HA ASP 22 -8.646 -3.315 1.240
145 1HB ASP 22 2HB ASP 22 -9.847 -3.134 -0.991
146 2HB ASP 22 1HB ASP 22 -8.567 -4.105 -1.673
147 H HIS 23 H HIS 23 -6.155 -3.703 -1.140
148 HA HIS 23 HA HIS 23 -5.316 -6.315 -0.525
149 1HB HIS 23 2HB HIS 23 -4.665 -5.353 -2.608
150 2HB HIS 23 1HB HIS 23 -3.915 -3.975 -1.822
151 HD1 HIS 23 1HD HIS 23 -3.350 -7.588 -2.626
152 HD2 HIS 23 2HD HIS 23 -1.314 -4.379 -0.985
153 HE1 HIS 23 1HE HIS 23 -0.992 -8.335 -2.447
154 HE2 HIS 23 2HE HIS 23 0.122 -6.459 -1.118
155 H CYS 24 H CYS 24 -4.053 -3.194 0.559
156 HA CYS 24 HA CYS 24 -2.029 -4.237 2.149
157 1HB CYS 24 2HB CYS 24 -3.478 -1.603 2.262
158 2HB CYS 24 1HB CYS 24 -2.037 -1.938 3.204
159 H LYS 25 H LYS 25 -5.466 -3.568 2.901
160 HA LYS 25 HA LYS 25 -5.154 -3.954 5.664
161 1HB LYS 25 2HB LYS 25 -7.395 -3.771 3.719
162 2HB LYS 25 1HB LYS 25 -7.648 -4.087 5.416
163 1HG LYS 25 2HG LYS 25 -6.626 -1.958 5.985
164 2HG LYS 25 1HG LYS 25 -6.247 -1.690 4.284
165 1HD LYS 25 2HD LYS 25 -8.580 -1.620 3.713
166 2HD LYS 25 1HD LYS 25 -9.030 -2.038 5.367
167 1HE LYS 25 2HE LYS 25 -8.233 0.029 6.193
168 2HE LYS 25 1HE LYS 25 -7.461 0.417 4.655
169 1HZ LYS 25 1HZ LYS 25 -9.546 1.592 4.976
170 2HZ LYS 25 2HZ LYS 25 -10.399 0.119 5.000
171 3HZ LYS 25 3HZ LYS 25 -9.516 0.593 3.627
172 H ASN 26 H ASN 26 -6.665 -5.843 3.018
173 HA ASN 26 HA ASN 26 -7.464 -7.990 4.605
174 1HB ASN 26 2HB ASN 26 -8.545 -7.375 2.551
175 2HB ASN 26 1HB ASN 26 -7.064 -7.636 1.648
176 1HD2 ASN 26 1HD2 ASN 26 -7.813 -9.140 0.314
177 2HD2 ASN 26 2HD2 ASN 26 -8.315 -10.703 0.824
178 H LYS 27 H LYS 27 -4.784 -7.648 2.271
179 HA LYS 27 HA LYS 27 -3.985 -10.353 2.944
180 1HB LYS 27 2HB LYS 27 -4.277 -9.548 0.568
181 2HB LYS 27 1HB LYS 27 -2.841 -8.579 0.804
182 1HG LYS 27 2HG LYS 27 -2.390 -10.686 -0.378
183 2HG LYS 27 1HG LYS 27 -1.505 -10.568 1.147
184 1HD LYS 27 2HD LYS 27 -3.001 -12.054 2.239
185 2HD LYS 27 1HD LYS 27 -4.155 -11.983 0.912
186 1HE LYS 27 2HE LYS 27 -1.375 -13.112 0.685
187 2HE LYS 27 1HE LYS 27 -2.806 -14.077 1.041
188 1HZ LYS 27 1HZ LYS 27 -2.309 -14.173 -1.280
189 2HZ LYS 27 2HZ LYS 27 -2.337 -12.508 -1.460
190 3HZ LYS 27 3HZ LYS 27 -3.750 -13.345 -1.087
191 H GLU 28 H GLU 28 -2.658 -7.055 3.001
192 HA GLU 28 HA GLU 28 -0.313 -8.283 4.110
193 1HB GLU 28 2HB GLU 28 -0.547 -5.462 3.084
194 2HB GLU 28 1HB GLU 28 0.940 -6.229 3.649
195 1HG GLU 28 2HG GLU 28 0.238 -8.102 1.963
196 2HG GLU 28 1HG GLU 28 -0.671 -6.817 1.232
197 H HIS 29 H HIS 29 -2.990 -6.856 5.205
198 HA HIS 29 HA HIS 29 -3.799 -6.519 7.248
199 1HB HIS 29 2HB HIS 29 -1.284 -7.942 8.107
200 2HB HIS 29 1HB HIS 29 -2.613 -7.547 9.192
201 HD1 HIS 29 1HD HIS 29 -1.430 -10.223 7.053
202 HD2 HIS 29 2HD HIS 29 -5.143 -8.770 8.225
203 HE1 HIS 29 1HE HIS 29 -3.031 -12.046 6.577
204 HE2 HIS 29 2HE HIS 29 -5.229 -11.232 7.508
205 H LEU 30 H LEU 30 -2.232 -4.413 6.101
206 HA LEU 30 HA LEU 30 -1.152 -3.123 8.486
207 1HB LEU 30 2HB LEU 30 -0.824 -2.421 5.572
208 2HB LEU 30 1HB LEU 30 -0.148 -1.487 6.890
209 HG LEU 30 HG LEU 30 0.593 -4.328 6.168
210 1HD1 LEU 30 1HD1 LEU 30 2.142 -1.760 5.932
211 2HD1 LEU 30 2HD1 LEU 30 1.509 -2.745 4.606
212 3HD1 LEU 30 3HD1 LEU 30 2.785 -3.375 5.642
213 1HD2 LEU 30 1HD2 LEU 30 0.726 -4.031 8.577
214 2HD2 LEU 30 2HD2 LEU 30 1.653 -2.547 8.362
215 3HD2 LEU 30 3HD2 LEU 30 2.348 -4.093 7.886
216 H ARG 31 H ARG 31 -1.458 -0.456 7.750
217 HA ARG 31 HA ARG 31 -3.996 0.004 8.902
218 1HB ARG 31 2HB ARG 31 -1.961 1.520 9.136
219 2HB ARG 31 1HB ARG 31 -2.186 1.963 7.511
220 1HG ARG 31 2HG ARG 31 -4.318 2.972 7.877
221 2HG ARG 31 1HG ARG 31 -4.333 2.407 9.544
222 1HD ARG 31 2HD ARG 31 -2.537 3.876 10.117
223 2HD ARG 31 1HD ARG 31 -2.305 4.334 8.426
224 HE ARG 31 HE ARG 31 -4.723 5.114 8.639
225 1HH1 ARG 31 1HH1 ARG 31 -2.481 5.327 11.380
226 2HH1 ARG 31 2HH1 ARG 31 -3.076 6.818 11.943
227 1HH2 ARG 31 1HH2 ARG 31 -5.610 7.091 9.464
228 2HH2 ARG 31 2HH2 ARG 31 -4.918 7.855 10.819
229 H SER 32 H SER 32 -2.814 1.083 5.746
230 HA SER 32 HA SER 32 -5.330 0.642 4.373
231 1HB SER 32 2HB SER 32 -4.216 3.455 4.618
232 2HB SER 32 1HB SER 32 -5.720 2.943 3.877
233 HG SER 32 HG SER 32 -6.022 2.097 6.243
234 H GLY 33 H GLY 33 -4.895 1.790 2.163
235 1HA GLY 33 2HA GLY 33 -2.075 1.604 1.475
236 2HA GLY 33 1HA GLY 33 -3.193 0.535 0.635
237 H ARG 34 H ARG 34 -1.531 2.836 -0.230
238 HA ARG 34 HA ARG 34 -3.653 4.223 -1.677
239 1HB ARG 34 2HB ARG 34 -1.510 5.558 -0.061
240 2HB ARG 34 1HB ARG 34 -2.254 6.346 -1.447
241 1HG ARG 34 2HG ARG 34 -4.347 6.221 -0.511
242 2HG ARG 34 1HG ARG 34 -3.804 5.261 0.877
243 1HD ARG 34 2HD ARG 34 -2.995 8.114 0.238
244 2HD ARG 34 1HD ARG 34 -4.086 7.617 1.530
245 HE ARG 34 HE ARG 34 -1.461 6.418 1.668
246 1HH1 ARG 34 1HH1 ARG 34 -3.479 9.130 2.747
247 2HH1 ARG 34 2HH1 ARG 34 -2.433 9.583 3.996
248 1HH2 ARG 34 1HH2 ARG 34 -0.059 7.010 3.328
249 2HH2 ARG 34 2HH2 ARG 34 -0.392 8.319 4.381
250 H CYS 35 H CYS 35 -3.274 5.086 -3.443
251 HA CYS 35 HA CYS 35 -1.056 3.789 -4.836
252 1HB CYS 35 2HB CYS 35 -3.521 3.460 -5.424
253 2HB CYS 35 1HB CYS 35 -3.473 5.098 -6.057
254 H ARG 36 H ARG 36 0.579 5.063 -5.207
255 HA ARG 36 HA ARG 36 0.153 7.961 -5.216
256 1HB ARG 36 2HB ARG 36 2.592 6.320 -4.518
257 2HB ARG 36 1HB ARG 36 2.599 8.078 -4.638
258 1HG ARG 36 2HG ARG 36 1.019 8.274 -2.847
259 2HG ARG 36 1HG ARG 36 0.762 6.543 -2.827
260 1HD ARG 36 2HD ARG 36 2.186 7.327 -0.968
261 2HD ARG 36 1HD ARG 36 2.968 6.154 -2.002
262 HE ARG 36 HE ARG 36 3.740 8.603 -2.959
263 1HH1 ARG 36 1HH1 ARG 36 3.830 7.102 0.251
264 2HH1 ARG 36 2HH1 ARG 36 5.421 7.592 0.595
265 1HH2 ARG 36 1HH2 ARG 36 5.885 9.329 -2.475
266 2HH2 ARG 36 2HH2 ARG 36 6.627 8.927 -0.992
267 H ASP 37 H ASP 37 2.239 8.992 -6.477
268 HA ASP 37 HA ASP 37 1.546 8.614 -9.191
269 1HB ASP 37 2HB ASP 37 3.206 10.295 -9.704
270 2HB ASP 37 1HB ASP 37 2.308 10.776 -8.268
271 H ASP 38 H ASP 38 3.838 7.052 -7.236
272 HA ASP 38 HA ASP 38 5.742 6.061 -9.062
273 1HB ASP 38 2HB ASP 38 4.474 4.626 -6.713
274 2HB ASP 38 1HB ASP 38 5.979 4.179 -7.497
275 H PHE 39 H PHE 39 2.393 5.479 -8.632
276 HA PHE 39 HA PHE 39 0.844 4.076 -9.399
277 1HB PHE 39 2HB PHE 39 2.910 3.303 -11.505
278 2HB PHE 39 1HB PHE 39 1.192 2.924 -11.575
279 HD1 PHE 39 1HD PHE 39 -0.372 5.061 -11.337
280 HD2 PHE 39 2HD PHE 39 3.666 5.109 -12.674
281 HE1 PHE 39 1HE PHE 39 -0.773 7.201 -12.468
282 HE2 PHE 39 2HE PHE 39 3.268 7.253 -13.808
283 HZ PHE 39 HZ PHE 39 1.049 8.300 -13.702
284 H ARG 40 H ARG 40 2.596 3.463 -7.420
285 HA ARG 40 HA ARG 40 2.528 0.543 -7.423
286 1HB ARG 40 2HB ARG 40 4.538 2.419 -6.160
287 2HB ARG 40 1HB ARG 40 4.339 0.752 -5.664
288 1HG ARG 40 2HG ARG 40 4.939 1.528 -8.488
289 2HG ARG 40 1HG ARG 40 6.200 1.195 -7.287
290 1HD ARG 40 2HD ARG 40 4.015 -0.718 -8.140
291 2HD ARG 40 1HD ARG 40 5.697 -0.782 -8.662
292 HE ARG 40 HE ARG 40 6.055 -0.880 -6.081
293 1HH1 ARG 40 1HH1 ARG 40 3.669 -2.728 -8.025
294 2HH1 ARG 40 2HH1 ARG 40 3.633 -4.006 -6.888
295 1HH2 ARG 40 1HH2 ARG 40 5.919 -2.730 -4.576
296 2HH2 ARG 40 2HH2 ARG 40 4.913 -4.017 -4.959
297 H CYS 41 H CYS 41 1.907 -0.380 -5.495
298 HA CYS 41 HA CYS 41 -0.008 1.154 -4.018
299 1HB CYS 41 2HB CYS 41 -0.581 -1.011 -4.773
300 2HB CYS 41 1HB CYS 41 0.814 -1.756 -3.999
301 H TRP 42 H TRP 42 0.501 2.186 -2.251
302 HA TRP 42 HA TRP 42 2.836 1.362 -0.689
303 1HB TRP 42 2HB TRP 42 1.428 3.993 -1.072
304 2HB TRP 42 1HB TRP 42 2.497 3.707 0.284
305 HD1 TRP 42 HD TRP 42 2.545 4.126 -3.546
306 HE1 TRP 42 1HE TRP 42 4.957 4.813 -4.228
307 HE3 TRP 42 3HE TRP 42 4.934 3.578 0.992
308 HZ2 TRP 42 2HZ TRP 42 7.459 5.060 -3.036
309 HZ3 TRP 42 3HZ TRP 42 7.252 4.065 1.133
310 HH2 TRP 42 HH TRP 42 8.548 4.788 -0.821
311 H CYS 43 H CYS 43 2.262 0.331 1.089
312 HA CYS 43 HA CYS 43 -0.408 0.605 2.220
313 1HB CYS 43 2HB CYS 43 1.859 -1.263 2.931
314 2HB CYS 43 1HB CYS 43 0.228 -1.314 3.591
315 H THR 44 H THR 44 -0.734 1.693 4.130
316 HA THR 44 HA THR 44 1.560 3.051 5.260
317 HB THR 44 HB THR 44 -1.361 3.470 5.903
318 HG1 THR 44 1HG THR 44 0.043 4.606 3.631
319 1HG2 THR 44 1HG2 THR 44 -0.608 5.781 6.313
320 2HG2 THR 44 2HG2 THR 44 1.026 5.334 5.827
321 3HG2 THR 44 3HG2 THR 44 0.317 4.630 7.279
322 H ARG 45 H ARG 45 2.013 2.639 7.479
323 HA ARG 45 HA ARG 45 0.204 0.777 8.835
324 1HB ARG 45 2HB ARG 45 1.969 -0.570 9.607
325 2HB ARG 45 1HB ARG 45 2.393 -0.281 7.930
326 1HG ARG 45 2HG ARG 45 3.947 1.494 8.655
327 2HG ARG 45 1HG ARG 45 3.557 1.125 10.336
328 1HD ARG 45 2HD ARG 45 5.531 -0.034 9.938
329 2HD ARG 45 1HD ARG 45 4.281 -1.262 9.760
330 HE ARG 45 HE ARG 45 5.203 0.115 7.370
331 1HH1 ARG 45 1HH1 ARG 45 5.164 -2.902 9.252
332 2HH1 ARG 45 2HH1 ARG 45 5.937 -3.816 8.057
333 1HH2 ARG 45 1HH2 ARG 45 6.272 -1.135 5.758
334 2HH2 ARG 45 2HH2 ARG 45 6.560 -2.787 5.985
335 H ASN 46 H ASN 46 0.200 1.077 11.165
336 HA ASN 46 HA ASN 46 0.872 3.692 11.981
337 1HB ASN 46 2HB ASN 46 -0.372 1.290 13.295
338 2HB ASN 46 1HB ASN 46 -0.038 2.817 14.089
339 1HD2 ASN 46 1HD2 ASN 46 -2.575 1.479 13.635
340 2HD2 ASN 46 2HD2 ASN 46 -3.567 2.556 12.734
341 H CYS 47 H CYS 47 2.685 4.167 13.005
342 HA CYS 47 HA CYS 47 4.223 2.020 14.202
343 1HB CYS 47 2HB CYS 47 6.305 3.284 13.358
344 2HB CYS 47 1HB CYS 47 5.394 2.385 12.149
Start of MODEL 11
1 1H LYS 1 1HT LYS 1 2.943 10.412 13.871
2 2H LYS 1 2HT LYS 1 3.043 8.765 13.450
3 3H LYS 1 3HT LYS 1 1.627 9.625 13.167
4 HA LYS 1 HA LYS 1 2.649 10.989 11.506
5 1HB LYS 1 2HB LYS 1 4.942 9.077 11.488
6 2HB LYS 1 1HB LYS 1 4.848 10.687 10.827
7 1HG LYS 1 2HG LYS 1 5.133 11.680 12.981
8 2HG LYS 1 1HG LYS 1 5.032 10.097 13.760
9 1HD LYS 1 2HD LYS 1 7.026 9.443 12.307
10 2HD LYS 1 1HD LYS 1 7.209 11.167 11.988
11 1HE LYS 1 2HE LYS 1 8.643 10.450 13.822
12 2HE LYS 1 1HE LYS 1 7.417 11.585 14.385
13 1HZ LYS 1 1HZ LYS 1 7.773 9.579 15.831
14 2HZ LYS 1 2HZ LYS 1 7.045 8.638 14.600
15 3HZ LYS 1 3HZ LYS 1 6.185 9.842 15.350
16 H THR 2 H THR 2 3.039 9.944 9.284
17 HA THR 2 HA THR 2 2.174 7.179 9.372
18 HB THR 2 HB THR 2 1.291 7.614 7.072
19 HG1 THR 2 1HG THR 2 0.595 10.118 7.243
20 1HG2 THR 2 1HG2 THR 2 -0.861 8.553 7.899
21 2HG2 THR 2 2HG2 THR 2 -0.052 9.006 9.397
22 3HG2 THR 2 3HG2 THR 2 -0.210 7.304 8.961
23 H CYS 3 H CYS 3 3.369 5.787 8.379
24 HA CYS 3 HA CYS 3 5.565 6.735 6.702
25 1HB CYS 3 2HB CYS 3 5.537 4.470 8.719
26 2HB CYS 3 1HB CYS 3 6.823 4.727 7.545
27 H GLU 4 H GLU 4 5.664 5.798 4.747
28 HA GLU 4 HA GLU 4 3.618 3.769 4.225
29 1HB GLU 4 2HB GLU 4 3.128 6.171 3.579
30 2HB GLU 4 1HB GLU 4 4.469 6.056 2.476
31 1HG GLU 4 2HG GLU 4 3.388 4.541 1.130
32 2HG GLU 4 1HG GLU 4 2.105 4.227 2.313
33 H ASN 5 H ASN 5 4.225 2.120 2.861
34 HA ASN 5 HA ASN 5 6.774 2.214 1.435
35 1HB ASN 5 2HB ASN 5 7.133 1.247 3.859
36 2HB ASN 5 1HB ASN 5 6.196 -0.109 3.238
37 1HD2 ASN 5 1HD2 ASN 5 9.195 1.591 2.997
38 2HD2 ASN 5 2HD2 ASN 5 10.046 0.368 2.114
39 H LEU 6 H LEU 6 6.970 0.236 0.113
40 HA LEU 6 HA LEU 6 4.693 0.003 -1.474
41 1HB LEU 6 2HB LEU 6 7.345 -1.263 -1.260
42 2HB LEU 6 1HB LEU 6 6.235 -1.607 -2.566
43 HG LEU 6 HG LEU 6 7.292 1.165 -1.978
44 1HD1 LEU 6 1HD1 LEU 6 8.323 -0.862 -3.963
45 2HD1 LEU 6 2HD1 LEU 6 9.164 -0.325 -2.509
46 3HD1 LEU 6 3HD1 LEU 6 8.858 0.813 -3.822
47 1HD2 LEU 6 1HD2 LEU 6 5.236 1.077 -3.276
48 2HD2 LEU 6 2HD2 LEU 6 5.979 -0.062 -4.395
49 3HD2 LEU 6 3HD2 LEU 6 6.587 1.591 -4.285
50 H ALA 7 H ALA 7 3.254 -1.667 -1.569
51 HA ALA 7 HA ALA 7 3.117 -3.565 0.531
52 1HB ALA 7 1HB ALA 7 1.218 -4.453 -0.761
53 2HB ALA 7 2HB ALA 7 1.643 -3.373 -2.093
54 3HB ALA 7 3HB ALA 7 1.118 -2.706 -0.549
55 H ASN 8 H ASN 8 4.544 -5.129 0.623
56 HA ASN 8 HA ASN 8 5.860 -6.000 -1.776
57 1HB ASN 8 2HB ASN 8 7.311 -7.406 -0.310
58 2HB ASN 8 1HB ASN 8 7.349 -5.691 0.061
59 1HD2 ASN 8 1HD2 ASN 8 6.537 -4.990 2.005
60 2HD2 ASN 8 2HD2 ASN 8 6.173 -6.046 3.314
61 H THR 9 H THR 9 3.093 -6.995 -0.270
62 HA THR 9 HA THR 9 3.452 -9.632 -1.469
63 HB THR 9 HB THR 9 1.103 -8.799 0.280
64 HG1 THR 9 1HG THR 9 2.825 -8.483 1.594
65 1HG2 THR 9 1HG2 THR 9 2.376 -11.497 -0.271
66 2HG2 THR 9 2HG2 THR 9 0.870 -10.916 -0.980
67 3HG2 THR 9 3HG2 THR 9 0.972 -11.209 0.756
68 H TYR 10 H TYR 10 2.751 -6.797 -2.464
69 HA TYR 10 HA TYR 10 0.481 -7.599 -4.156
70 1HB TYR 10 2HB TYR 10 0.143 -5.469 -2.786
71 2HB TYR 10 1HB TYR 10 1.473 -4.773 -3.695
72 HD1 TYR 10 1HD TYR 10 1.176 -4.461 -6.212
73 HD2 TYR 10 2HD TYR 10 -2.061 -5.448 -3.649
74 HE1 TYR 10 1HE TYR 10 -0.407 -3.660 -7.921
75 HE2 TYR 10 2HE TYR 10 -3.654 -4.660 -5.352
76 HH TYR 10 HH TYR 10 -2.732 -4.025 -8.555
77 H ARG 11 H ARG 11 1.108 -8.138 -6.126
78 HA ARG 11 HA ARG 11 3.430 -6.745 -7.150
79 1HB ARG 11 2HB ARG 11 4.122 -8.736 -8.348
80 2HB ARG 11 1HB ARG 11 3.963 -9.041 -6.622
81 1HG ARG 11 2HG ARG 11 1.860 -10.189 -7.004
82 2HG ARG 11 1HG ARG 11 1.993 -9.869 -8.735
83 1HD ARG 11 2HD ARG 11 3.849 -11.528 -7.032
84 2HD ARG 11 1HD ARG 11 2.777 -12.100 -8.311
85 HE ARG 11 HE ARG 11 4.203 -10.561 -9.768
86 1HH1 ARG 11 1HH1 ARG 11 5.464 -12.478 -7.065
87 2HH1 ARG 11 2HH1 ARG 11 7.049 -12.566 -7.691
88 1HH2 ARG 11 1HH2 ARG 11 6.416 -10.695 -10.616
89 2HH2 ARG 11 2HH2 ARG 11 7.581 -11.549 -9.747
90 H GLY 12 H GLY 12 3.318 -5.904 -9.102
91 1HA GLY 12 2HA GLY 12 2.394 -5.985 -11.346
92 2HA GLY 12 1HA GLY 12 0.849 -6.347 -10.599
93 HA PRO 13 HA PRO 13 1.608 -1.627 -11.099
94 1HB PRO 13 2HB PRO 13 -0.339 -1.847 -13.313
95 2HB PRO 13 1HB PRO 13 1.176 -0.943 -13.242
96 1HG PRO 13 2HG PRO 13 0.958 -3.168 -14.713
97 2HG PRO 13 1HG PRO 13 2.455 -2.777 -13.841
98 1HD PRO 13 2HD PRO 13 0.289 -4.710 -13.128
99 2HD PRO 13 1HD PRO 13 2.052 -4.887 -13.001
100 H CYS 14 H CYS 14 0.254 -0.270 -10.137
101 HA CYS 14 HA CYS 14 -2.385 -1.263 -9.355
102 1HB CYS 14 2HB CYS 14 -0.897 -0.947 -7.483
103 2HB CYS 14 1HB CYS 14 -0.468 0.663 -8.036
104 H PHE 15 H PHE 15 -4.136 -0.026 -9.773
105 HA PHE 15 HA PHE 15 -3.706 2.598 -11.002
106 1HB PHE 15 2HB PHE 15 -5.601 0.461 -11.988
107 2HB PHE 15 1HB PHE 15 -5.540 2.106 -12.602
108 HD1 PHE 15 1HD PHE 15 -4.176 -1.203 -12.809
109 HD2 PHE 15 2HD PHE 15 -3.413 2.881 -13.734
110 HE1 PHE 15 1HE PHE 15 -2.463 -1.896 -14.430
111 HE2 PHE 15 2HE PHE 15 -1.698 2.195 -15.359
112 HZ PHE 15 HZ PHE 15 -1.222 -0.195 -15.710
113 H THR 16 H THR 16 -5.072 1.104 -8.388
114 HA THR 16 HA THR 16 -6.938 3.302 -8.066
115 HB THR 16 HB THR 16 -7.847 0.421 -7.789
116 HG1 THR 16 1HG THR 16 -7.819 2.199 -9.811
117 1HG2 THR 16 1HG2 THR 16 -8.916 1.906 -6.136
118 2HG2 THR 16 2HG2 THR 16 -10.075 1.379 -7.359
119 3HG2 THR 16 3HG2 THR 16 -9.395 3.005 -7.431
120 H THR 17 H THR 17 -6.928 4.105 -6.080
121 HA THR 17 HA THR 17 -5.047 3.389 -4.143
122 HB THR 17 HB THR 17 -7.525 5.076 -3.784
123 HG1 THR 17 1HG THR 17 -6.568 6.054 -5.409
124 1HG2 THR 17 1HG2 THR 17 -4.820 5.310 -2.484
125 2HG2 THR 17 2HG2 THR 17 -6.211 4.530 -1.725
126 3HG2 THR 17 3HG2 THR 17 -6.258 6.256 -2.100
127 H GLY 18 H GLY 18 -8.563 2.905 -4.231
128 1HA GLY 18 2HA GLY 18 -8.809 1.738 -1.682
129 2HA GLY 18 1HA GLY 18 -9.968 1.607 -2.994
130 H SER 19 H SER 19 -7.847 0.397 -4.739
131 HA SER 19 HA SER 19 -8.385 -2.321 -4.039
132 1HB SER 19 2HB SER 19 -6.562 -1.187 -6.177
133 2HB SER 19 1HB SER 19 -7.191 -2.837 -6.101
134 HG SER 19 HG SER 19 -9.277 -1.978 -6.289
135 H CYS 20 H CYS 20 -5.809 -0.073 -3.700
136 HA CYS 20 HA CYS 20 -3.887 -2.007 -2.853
137 1HB CYS 20 2HB CYS 20 -3.156 0.076 -3.950
138 2HB CYS 20 1HB CYS 20 -3.922 1.009 -2.715
139 H ASP 21 H ASP 21 -6.010 0.400 -1.293
140 HA ASP 21 HA ASP 21 -5.265 0.013 1.383
141 1HB ASP 21 2HB ASP 21 -6.695 1.849 0.701
142 2HB ASP 21 1HB ASP 21 -7.972 0.731 0.217
143 H ASP 22 H ASP 22 -7.784 -1.535 -0.494
144 HA ASP 22 HA ASP 22 -8.841 -3.429 1.188
145 1HB ASP 22 2HB ASP 22 -9.694 -3.161 -1.022
146 2HB ASP 22 1HB ASP 22 -8.134 -3.510 -1.741
147 H HIS 23 H HIS 23 -5.969 -3.705 -0.790
148 HA HIS 23 HA HIS 23 -5.237 -6.307 -0.002
149 1HB HIS 23 2HB HIS 23 -4.447 -5.448 -2.097
150 2HB HIS 23 1HB HIS 23 -3.705 -4.063 -1.317
151 HD1 HIS 23 1HD HIS 23 -3.228 -7.740 -1.871
152 HD2 HIS 23 2HD HIS 23 -1.180 -4.478 -0.353
153 HE1 HIS 23 1HE HIS 23 -0.884 -8.531 -1.491
154 HE2 HIS 23 2HE HIS 23 0.249 -6.546 -0.330
155 H CYS 24 H CYS 24 -3.958 -3.126 0.966
156 HA CYS 24 HA CYS 24 -2.005 -4.159 2.668
157 1HB CYS 24 2HB CYS 24 -3.290 -1.441 2.577
158 2HB CYS 24 1HB CYS 24 -1.877 -1.814 3.553
159 H LYS 25 H LYS 25 -5.415 -3.254 3.411
160 HA LYS 25 HA LYS 25 -5.039 -3.532 6.172
161 1HB LYS 25 2HB LYS 25 -7.323 -3.346 4.293
162 2HB LYS 25 1HB LYS 25 -7.567 -3.682 5.986
163 1HG LYS 25 2HG LYS 25 -6.434 -1.548 6.527
164 2HG LYS 25 1HG LYS 25 -6.274 -1.239 4.793
165 1HD LYS 25 2HD LYS 25 -8.664 -1.259 4.523
166 2HD LYS 25 1HD LYS 25 -8.882 -1.719 6.211
167 1HE LYS 25 2HE LYS 25 -7.658 0.859 5.247
168 2HE LYS 25 1HE LYS 25 -9.317 0.660 5.809
169 1HZ LYS 25 1HZ LYS 25 -6.838 0.335 7.400
170 2HZ LYS 25 2HZ LYS 25 -8.356 -0.107 7.954
171 3HZ LYS 25 3HZ LYS 25 -8.043 1.510 7.593
172 H ASN 26 H ASN 26 -6.654 -5.537 3.681
173 HA ASN 26 HA ASN 26 -7.281 -7.492 5.642
174 1HB ASN 26 2HB ASN 26 -8.908 -7.012 3.977
175 2HB ASN 26 1HB ASN 26 -7.761 -7.333 2.683
176 1HD2 ASN 26 1HD2 ASN 26 -7.498 -9.373 1.979
177 2HD2 ASN 26 2HD2 ASN 26 -8.371 -10.708 2.602
178 H LYS 27 H LYS 27 -4.932 -7.309 3.018
179 HA LYS 27 HA LYS 27 -4.189 -10.044 3.621
180 1HB LYS 27 2HB LYS 27 -4.395 -9.539 1.274
181 2HB LYS 27 1HB LYS 27 -3.271 -8.196 1.412
182 1HG LYS 27 2HG LYS 27 -2.195 -10.109 0.367
183 2HG LYS 27 1HG LYS 27 -1.463 -9.772 1.937
184 1HD LYS 27 2HD LYS 27 -2.907 -11.547 2.918
185 2HD LYS 27 1HD LYS 27 -3.457 -11.942 1.286
186 1HE LYS 27 2HE LYS 27 -1.163 -12.461 0.643
187 2HE LYS 27 1HE LYS 27 -0.605 -12.029 2.257
188 1HZ LYS 27 1HZ LYS 27 -0.814 -14.383 2.136
189 2HZ LYS 27 2HZ LYS 27 -2.378 -14.287 1.532
190 3HZ LYS 27 3HZ LYS 27 -2.066 -13.828 3.117
191 H GLU 28 H GLU 28 -2.722 -6.789 3.723
192 HA GLU 28 HA GLU 28 -0.427 -8.137 4.843
193 1HB GLU 28 2HB GLU 28 -0.470 -5.360 3.684
194 2HB GLU 28 1HB GLU 28 0.960 -6.171 4.331
195 1HG GLU 28 2HG GLU 28 0.184 -8.073 2.707
196 2HG GLU 28 1HG GLU 28 -0.606 -6.760 1.895
197 H HIS 29 H HIS 29 -3.005 -6.655 5.956
198 HA HIS 29 HA HIS 29 -3.718 -6.104 8.003
199 1HB HIS 29 2HB HIS 29 -1.141 -7.394 8.917
200 2HB HIS 29 1HB HIS 29 -2.508 -7.019 9.960
201 HD1 HIS 29 1HD HIS 29 -1.125 -9.635 7.912
202 HD2 HIS 29 2HD HIS 29 -4.926 -8.522 9.136
203 HE1 HIS 29 1HE HIS 29 -2.560 -11.622 7.494
204 HE2 HIS 29 2HE HIS 29 -4.768 -11.020 8.504
205 H LEU 30 H LEU 30 -2.161 -4.148 6.591
206 HA LEU 30 HA LEU 30 -0.902 -2.722 8.787
207 1HB LEU 30 2HB LEU 30 -0.737 -2.259 5.811
208 2HB LEU 30 1HB LEU 30 0.030 -1.233 7.008
209 HG LEU 30 HG LEU 30 0.668 -4.151 6.516
210 1HD1 LEU 30 1HD1 LEU 30 2.264 -1.669 5.942
211 2HD1 LEU 30 2HD1 LEU 30 1.519 -2.746 4.756
212 3HD1 LEU 30 3HD1 LEU 30 2.839 -3.326 5.766
213 1HD2 LEU 30 1HD2 LEU 30 1.885 -2.191 8.463
214 2HD2 LEU 30 2HD2 LEU 30 2.528 -3.788 8.091
215 3HD2 LEU 30 3HD2 LEU 30 0.955 -3.640 8.870
216 H ARG 31 H ARG 31 -1.214 -0.125 7.873
217 HA ARG 31 HA ARG 31 -3.735 0.322 9.124
218 1HB ARG 31 2HB ARG 31 -1.420 1.645 9.111
219 2HB ARG 31 1HB ARG 31 -2.173 2.448 7.798
220 1HG ARG 31 2HG ARG 31 -3.602 2.301 10.422
221 2HG ARG 31 1HG ARG 31 -2.459 3.591 10.049
222 1HD ARG 31 2HD ARG 31 -3.709 4.197 8.131
223 2HD ARG 31 1HD ARG 31 -4.837 2.866 8.364
224 HE ARG 31 HE ARG 31 -4.891 4.389 10.677
225 1HH1 ARG 31 1HH1 ARG 31 -5.663 4.821 7.248
226 2HH1 ARG 31 2HH1 ARG 31 -6.889 5.958 7.518
227 1HH2 ARG 31 1HH2 ARG 31 -6.592 5.902 11.057
228 2HH2 ARG 31 2HH2 ARG 31 -7.462 6.585 9.758
229 H SER 32 H SER 32 -2.477 1.489 5.988
230 HA SER 32 HA SER 32 -5.069 1.041 4.738
231 1HB SER 32 2HB SER 32 -3.727 3.763 4.685
232 2HB SER 32 1HB SER 32 -5.212 3.299 3.886
233 HG SER 32 HG SER 32 -6.281 3.252 5.701
234 H GLY 33 H GLY 33 -4.676 2.022 2.361
235 1HA GLY 33 2HA GLY 33 -1.954 1.574 1.516
236 2HA GLY 33 1HA GLY 33 -3.178 0.460 0.897
237 H ARG 34 H ARG 34 -1.501 2.652 -0.285
238 HA ARG 34 HA ARG 34 -3.718 3.913 -1.720
239 1HB ARG 34 2HB ARG 34 -1.276 5.320 -0.703
240 2HB ARG 34 1HB ARG 34 -2.360 5.971 -1.921
241 1HG ARG 34 2HG ARG 34 -4.127 5.783 -0.468
242 2HG ARG 34 1HG ARG 34 -3.106 5.270 0.906
243 1HD ARG 34 2HD ARG 34 -3.223 7.911 -0.547
244 2HD ARG 34 1HD ARG 34 -3.326 7.632 1.192
245 HE ARG 34 HE ARG 34 -0.851 6.846 0.792
246 1HH1 ARG 34 1HH1 ARG 34 -2.508 9.705 -0.486
247 2HH1 ARG 34 2HH1 ARG 34 -1.069 10.558 -0.831
248 1HH2 ARG 34 1HH2 ARG 34 1.084 7.948 0.306
249 2HH2 ARG 34 2HH2 ARG 34 1.057 9.516 -0.350
250 H CYS 35 H CYS 35 -3.324 4.639 -3.554
251 HA CYS 35 HA CYS 35 -1.272 3.065 -4.953
252 1HB CYS 35 2HB CYS 35 -3.709 2.617 -5.392
253 2HB CYS 35 1HB CYS 35 -3.778 4.204 -6.155
254 H ARG 36 H ARG 36 0.352 4.295 -5.386
255 HA ARG 36 HA ARG 36 -0.065 7.153 -5.649
256 1HB ARG 36 2HB ARG 36 2.337 5.470 -5.043
257 2HB ARG 36 1HB ARG 36 2.460 7.188 -5.401
258 1HG ARG 36 2HG ARG 36 1.070 7.736 -3.543
259 2HG ARG 36 1HG ARG 36 0.712 6.044 -3.265
260 1HD ARG 36 2HD ARG 36 2.365 7.127 -1.712
261 2HD ARG 36 1HD ARG 36 2.828 5.600 -2.437
262 HE ARG 36 HE ARG 36 4.026 7.262 -4.091
263 1HH1 ARG 36 1HH1 ARG 36 3.778 7.363 -0.549
264 2HH1 ARG 36 2HH1 ARG 36 5.334 7.986 -0.296
265 1HH2 ARG 36 1HH2 ARG 36 6.247 8.054 -3.754
266 2HH2 ARG 36 2HH2 ARG 36 6.775 8.389 -2.184
267 H ASP 37 H ASP 37 1.752 8.194 -7.124
268 HA ASP 37 HA ASP 37 0.969 7.454 -9.794
269 1HB ASP 37 2HB ASP 37 2.958 9.565 -8.909
270 2HB ASP 37 1HB ASP 37 2.212 9.433 -10.493
271 H ASP 38 H ASP 38 3.109 6.333 -7.778
272 HA ASP 38 HA ASP 38 5.395 5.715 -9.394
273 1HB ASP 38 2HB ASP 38 4.335 4.395 -6.881
274 2HB ASP 38 1HB ASP 38 5.933 4.166 -7.572
275 H PHE 39 H PHE 39 2.198 4.709 -9.238
276 HA PHE 39 HA PHE 39 0.934 3.124 -10.136
277 1HB PHE 39 2HB PHE 39 3.435 2.377 -11.673
278 2HB PHE 39 1HB PHE 39 1.882 1.599 -11.915
279 HD1 PHE 39 1HD PHE 39 0.021 2.788 -12.922
280 HD2 PHE 39 2HD PHE 39 3.826 4.638 -12.468
281 HE1 PHE 39 1HE PHE 39 -0.645 4.542 -14.512
282 HE2 PHE 39 2HE PHE 39 3.165 6.392 -14.056
283 HZ PHE 39 HZ PHE 39 0.925 6.344 -15.080
284 H ARG 40 H ARG 40 2.640 2.670 -7.737
285 HA ARG 40 HA ARG 40 2.137 -0.199 -7.643
286 1HB ARG 40 2HB ARG 40 4.379 1.261 -6.250
287 2HB ARG 40 1HB ARG 40 3.926 -0.401 -5.929
288 1HG ARG 40 2HG ARG 40 4.352 -0.757 -8.456
289 2HG ARG 40 1HG ARG 40 5.239 0.769 -8.337
290 1HD ARG 40 2HD ARG 40 6.747 -1.128 -7.993
291 2HD ARG 40 1HD ARG 40 6.595 -0.179 -6.508
292 HE ARG 40 HE ARG 40 4.680 -2.260 -6.654
293 1HH1 ARG 40 1HH1 ARG 40 8.085 -1.738 -5.821
294 2HH1 ARG 40 2HH1 ARG 40 8.171 -3.069 -4.765
295 1HH2 ARG 40 1HH2 ARG 40 4.796 -4.096 -5.200
296 2HH2 ARG 40 2HH2 ARG 40 6.243 -4.424 -4.390
297 H CYS 41 H CYS 41 1.671 -1.030 -5.545
298 HA CYS 41 HA CYS 41 -0.169 0.638 -4.104
299 1HB CYS 41 2HB CYS 41 -0.781 -1.578 -4.659
300 2HB CYS 41 1HB CYS 41 0.654 -2.269 -3.906
301 H TRP 42 H TRP 42 0.381 1.735 -2.383
302 HA TRP 42 HA TRP 42 2.818 1.034 -0.909
303 1HB TRP 42 2HB TRP 42 1.403 3.649 -1.405
304 2HB TRP 42 1HB TRP 42 2.577 3.425 -0.125
305 HD1 TRP 42 HD TRP 42 2.373 3.399 -3.996
306 HE1 TRP 42 1HE TRP 42 4.716 4.047 -4.891
307 HE3 TRP 42 3HE TRP 42 4.931 3.650 0.422
308 HZ2 TRP 42 2HZ TRP 42 7.251 4.605 -3.868
309 HZ3 TRP 42 3HZ TRP 42 7.264 4.276 0.398
310 HH2 TRP 42 HH TRP 42 8.438 4.749 -1.711
311 H CYS 43 H CYS 43 2.346 0.268 1.059
312 HA CYS 43 HA CYS 43 -0.305 0.635 2.198
313 1HB CYS 43 2HB CYS 43 2.062 -0.988 3.149
314 2HB CYS 43 1HB CYS 43 0.472 -0.963 3.896
315 H THR 44 H THR 44 -0.644 1.895 4.015
316 HA THR 44 HA THR 44 1.586 3.613 4.756
317 HB THR 44 HB THR 44 -1.378 4.026 5.224
318 HG1 THR 44 1HG THR 44 0.059 5.110 2.960
319 1HG2 THR 44 1HG2 THR 44 0.943 5.965 5.039
320 2HG2 THR 44 2HG2 THR 44 0.162 5.426 6.527
321 3HG2 THR 44 3HG2 THR 44 -0.740 6.394 5.364
322 H ARG 45 H ARG 45 2.108 3.594 6.966
323 HA ARG 45 HA ARG 45 0.269 2.274 8.738
324 1HB ARG 45 2HB ARG 45 2.081 0.939 9.799
325 2HB ARG 45 1HB ARG 45 1.784 0.472 8.137
326 1HG ARG 45 2HG ARG 45 3.771 1.792 7.462
327 2HG ARG 45 1HG ARG 45 4.084 2.129 9.165
328 1HD ARG 45 2HD ARG 45 4.148 -0.365 9.543
329 2HD ARG 45 1HD ARG 45 4.037 -0.562 7.805
330 HE ARG 45 HE ARG 45 6.171 1.122 8.242
331 1HH1 ARG 45 1HH1 ARG 45 5.367 -2.251 9.089
332 2HH1 ARG 45 2HH1 ARG 45 6.988 -2.738 9.151
333 1HH2 ARG 45 1HH2 ARG 45 8.389 0.380 8.359
334 2HH2 ARG 45 2HH2 ARG 45 8.730 -1.242 8.731
335 H ASN 46 H ASN 46 0.604 2.799 11.008
336 HA ASN 46 HA ASN 46 1.259 5.520 11.268
337 1HB ASN 46 2HB ASN 46 0.085 3.365 12.947
338 2HB ASN 46 1HB ASN 46 0.575 4.886 13.660
339 1HD2 ASN 46 1HD2 ASN 46 -2.067 3.628 13.330
340 2HD2 ASN 46 2HD2 ASN 46 -3.040 4.769 12.500
341 H CYS 47 H CYS 47 2.980 6.348 12.161
342 HA CYS 47 HA CYS 47 4.770 4.747 13.789
343 1HB CYS 47 2HB CYS 47 6.708 5.712 12.490
344 2HB CYS 47 1HB CYS 47 5.733 4.569 11.566
Start of MODEL 12
1 1H LYS 1 1HT LYS 1 2.922 12.085 13.056
2 2H LYS 1 2HT LYS 1 1.735 12.033 11.836
3 3H LYS 1 3HT LYS 1 3.330 11.775 11.447
4 HA LYS 1 HA LYS 1 3.399 9.773 12.677
5 1HB LYS 1 2HB LYS 1 1.179 8.808 13.387
6 2HB LYS 1 1HB LYS 1 1.880 10.006 14.442
7 1HG LYS 1 2HG LYS 1 0.313 11.683 13.449
8 2HG LYS 1 1HG LYS 1 -0.373 10.387 12.472
9 1HD LYS 1 2HD LYS 1 -1.177 9.236 14.377
10 2HD LYS 1 1HD LYS 1 -0.250 10.250 15.478
11 1HE LYS 1 2HE LYS 1 -2.487 11.223 13.710
12 2HE LYS 1 1HE LYS 1 -2.674 10.793 15.409
13 1HZ LYS 1 1HZ LYS 1 -2.398 13.165 15.117
14 2HZ LYS 1 2HZ LYS 1 -0.920 12.958 14.355
15 3HZ LYS 1 3HZ LYS 1 -1.092 12.553 15.980
16 H THR 2 H THR 2 2.327 7.805 12.033
17 HA THR 2 HA THR 2 1.977 6.297 10.443
18 HB THR 2 HB THR 2 0.268 6.632 8.679
19 HG1 THR 2 1HG THR 2 0.572 9.238 9.390
20 1HG2 THR 2 1HG2 THR 2 -0.564 7.349 11.489
21 2HG2 THR 2 2HG2 THR 2 -0.381 5.723 10.823
22 3HG2 THR 2 3HG2 THR 2 -1.663 6.781 10.232
23 H CYS 3 H CYS 3 3.086 5.490 8.974
24 HA CYS 3 HA CYS 3 4.653 7.302 7.257
25 1HB CYS 3 2HB CYS 3 5.531 4.751 8.646
26 2HB CYS 3 1HB CYS 3 6.509 5.641 7.484
27 H GLU 4 H GLU 4 4.696 6.784 5.095
28 HA GLU 4 HA GLU 4 3.213 4.374 4.348
29 1HB GLU 4 2HB GLU 4 2.318 6.710 3.793
30 2HB GLU 4 1HB GLU 4 3.683 6.842 2.723
31 1HG GLU 4 2HG GLU 4 2.927 5.013 1.407
32 2HG GLU 4 1HG GLU 4 1.595 4.711 2.516
33 H ASN 5 H ASN 5 4.145 2.917 3.093
34 HA ASN 5 HA ASN 5 6.477 3.473 1.451
35 1HB ASN 5 2HB ASN 5 7.389 2.777 3.792
36 2HB ASN 5 1HB ASN 5 6.589 1.234 3.430
37 1HD2 ASN 5 1HD2 ASN 5 8.536 0.060 3.357
38 2HD2 ASN 5 2HD2 ASN 5 9.615 0.298 2.023
39 H LEU 6 H LEU 6 6.942 1.622 0.193
40 HA LEU 6 HA LEU 6 4.819 0.858 -1.349
41 1HB LEU 6 2HB LEU 6 7.547 -0.207 -0.935
42 2HB LEU 6 1HB LEU 6 6.516 -0.583 -2.299
43 HG LEU 6 HG LEU 6 7.336 2.240 -1.665
44 1HD1 LEU 6 1HD1 LEU 6 8.718 0.259 -3.467
45 2HD1 LEU 6 2HD1 LEU 6 9.363 0.893 -1.949
46 3HD1 LEU 6 3HD1 LEU 6 9.100 1.974 -3.321
47 1HD2 LEU 6 1HD2 LEU 6 6.400 0.861 -4.178
48 2HD2 LEU 6 2HD2 LEU 6 6.832 2.563 -4.030
49 3HD2 LEU 6 3HD2 LEU 6 5.433 1.934 -3.165
50 H ALA 7 H ALA 7 3.685 -1.022 -1.534
51 HA ALA 7 HA ALA 7 3.516 -2.931 0.565
52 1HB ALA 7 1HB ALA 7 2.119 -4.185 -1.048
53 2HB ALA 7 2HB ALA 7 2.605 -3.059 -2.317
54 3HB ALA 7 3HB ALA 7 1.640 -2.491 -0.955
55 H ASN 8 H ASN 8 4.311 -5.099 0.477
56 HA ASN 8 HA ASN 8 6.782 -5.134 -1.094
57 1HB ASN 8 2HB ASN 8 7.827 -6.486 0.518
58 2HB ASN 8 1HB ASN 8 6.850 -5.387 1.470
59 1HD2 ASN 8 1HD2 ASN 8 4.877 -6.244 2.416
60 2HD2 ASN 8 2HD2 ASN 8 4.750 -7.934 2.706
61 H THR 9 H THR 9 3.815 -6.919 -0.627
62 HA THR 9 HA THR 9 4.865 -8.894 -2.510
63 HB THR 9 HB THR 9 2.780 -10.224 -1.752
64 HG1 THR 9 1HG THR 9 3.053 -8.971 0.701
65 1HG2 THR 9 1HG2 THR 9 5.113 -9.773 0.119
66 2HG2 THR 9 2HG2 THR 9 5.077 -10.886 -1.246
67 3HG2 THR 9 3HG2 THR 9 4.035 -11.168 0.147
68 H TYR 10 H TYR 10 3.411 -6.221 -2.877
69 HA TYR 10 HA TYR 10 1.176 -7.165 -4.493
70 1HB TYR 10 2HB TYR 10 0.956 -5.054 -3.109
71 2HB TYR 10 1HB TYR 10 2.088 -4.289 -4.221
72 HD1 TYR 10 1HD TYR 10 -1.313 -5.589 -3.807
73 HD2 TYR 10 2HD TYR 10 1.384 -3.710 -6.510
74 HE1 TYR 10 1HE TYR 10 -3.191 -5.032 -5.286
75 HE2 TYR 10 2HE TYR 10 -0.493 -3.148 -7.994
76 HH TYR 10 HH TYR 10 -2.739 -3.965 -8.466
77 H ARG 11 H ARG 11 1.418 -7.700 -6.470
78 HA ARG 11 HA ARG 11 3.697 -6.676 -7.974
79 1HB ARG 11 2HB ARG 11 3.556 -8.865 -9.208
80 2HB ARG 11 1HB ARG 11 4.004 -8.953 -7.503
81 1HG ARG 11 2HG ARG 11 1.759 -9.625 -6.908
82 2HG ARG 11 1HG ARG 11 1.263 -9.525 -8.596
83 1HD ARG 11 2HD ARG 11 2.734 -11.291 -9.202
84 2HD ARG 11 1HD ARG 11 3.467 -11.324 -7.599
85 HE ARG 11 HE ARG 11 1.010 -11.862 -6.947
86 1HH1 ARG 11 1HH1 ARG 11 2.727 -13.061 -9.798
87 2HH1 ARG 11 2HH1 ARG 11 1.945 -14.569 -9.822
88 1HH2 ARG 11 1HH2 ARG 11 -0.093 -13.980 -7.007
89 2HH2 ARG 11 2HH2 ARG 11 0.341 -15.103 -8.211
90 H GLY 12 H GLY 12 3.369 -5.977 -10.011
91 1HA GLY 12 2HA GLY 12 2.134 -5.826 -12.031
92 2HA GLY 12 1HA GLY 12 0.662 -6.121 -11.113
93 HA PRO 13 HA PRO 13 1.839 -1.416 -11.459
94 1HB PRO 13 2HB PRO 13 -0.083 -1.425 -13.725
95 2HB PRO 13 1HB PRO 13 1.434 -0.532 -13.551
96 1HG PRO 13 2HG PRO 13 1.285 -2.615 -15.183
97 2HG PRO 13 1HG PRO 13 2.724 -2.343 -14.180
98 1HD PRO 13 2HD PRO 13 0.475 -4.278 -13.770
99 2HD PRO 13 1HD PRO 13 2.225 -4.508 -13.549
100 H CYS 14 H CYS 14 0.643 -0.338 -10.095
101 HA CYS 14 HA CYS 14 -1.988 -1.287 -9.415
102 1HB CYS 14 2HB CYS 14 -0.369 -0.921 -7.632
103 2HB CYS 14 1HB CYS 14 -0.139 0.740 -8.149
104 H PHE 15 H PHE 15 -3.782 -0.210 -9.853
105 HA PHE 15 HA PHE 15 -3.623 2.559 -10.815
106 1HB PHE 15 2HB PHE 15 -5.256 0.358 -12.083
107 2HB PHE 15 1HB PHE 15 -5.384 2.058 -12.498
108 HD1 PHE 15 1HD PHE 15 -3.285 3.193 -13.425
109 HD2 PHE 15 2HD PHE 15 -3.756 -1.022 -13.164
110 HE1 PHE 15 1HE PHE 15 -1.537 2.896 -15.130
111 HE2 PHE 15 2HE PHE 15 -2.005 -1.327 -14.867
112 HZ PHE 15 HZ PHE 15 -0.895 0.632 -15.851
113 H THR 16 H THR 16 -4.766 0.666 -8.431
114 HA THR 16 HA THR 16 -7.092 2.379 -8.062
115 HB THR 16 HB THR 16 -7.288 -0.643 -7.863
116 HG1 THR 16 1HG THR 16 -7.531 1.080 -9.969
117 1HG2 THR 16 1HG2 THR 16 -9.701 -0.212 -7.672
118 2HG2 THR 16 2HG2 THR 16 -9.408 1.520 -7.758
119 3HG2 THR 16 3HG2 THR 16 -8.823 0.595 -6.373
120 H THR 17 H THR 17 -6.914 3.253 -6.069
121 HA THR 17 HA THR 17 -5.233 2.340 -4.050
122 HB THR 17 HB THR 17 -7.550 4.262 -4.055
123 HG1 THR 17 1HG THR 17 -6.046 5.442 -4.841
124 1HG2 THR 17 1HG2 THR 17 -7.426 3.442 -1.773
125 2HG2 THR 17 2HG2 THR 17 -6.737 5.067 -1.817
126 3HG2 THR 17 3HG2 THR 17 -5.686 3.652 -1.741
127 H GLY 18 H GLY 18 -8.626 1.702 -4.677
128 1HA GLY 18 2HA GLY 18 -9.264 0.390 -2.275
129 2HA GLY 18 1HA GLY 18 -10.053 0.126 -3.824
130 H SER 19 H SER 19 -7.437 -0.711 -5.047
131 HA SER 19 HA SER 19 -7.625 -3.491 -4.288
132 1HB SER 19 2HB SER 19 -5.815 -2.161 -6.305
133 2HB SER 19 1HB SER 19 -6.226 -3.876 -6.211
134 HG SER 19 HG SER 19 -8.495 -2.559 -6.302
135 H CYS 20 H CYS 20 -5.348 -0.817 -4.166
136 HA CYS 20 HA CYS 20 -3.144 -2.208 -3.089
137 1HB CYS 20 2HB CYS 20 -2.930 0.068 -4.141
138 2HB CYS 20 1HB CYS 20 -3.882 0.714 -2.849
139 H ASP 21 H ASP 21 -5.631 -0.171 -1.544
140 HA ASP 21 HA ASP 21 -4.879 -0.424 1.117
141 1HB ASP 21 2HB ASP 21 -6.464 1.208 0.465
142 2HB ASP 21 1HB ASP 21 -7.577 -0.000 -0.177
143 H ASP 22 H ASP 22 -7.034 -2.389 -0.809
144 HA ASP 22 HA ASP 22 -7.860 -4.226 1.103
145 1HB ASP 22 2HB ASP 22 -8.832 -4.141 -1.126
146 2HB ASP 22 1HB ASP 22 -7.303 -4.653 -1.831
147 H HIS 23 H HIS 23 -5.066 -4.308 -1.034
148 HA HIS 23 HA HIS 23 -4.063 -6.796 -0.153
149 1HB HIS 23 2HB HIS 23 -3.377 -5.903 -2.304
150 2HB HIS 23 1HB HIS 23 -2.672 -4.493 -1.529
151 HD1 HIS 23 1HD HIS 23 -2.044 -8.157 -2.111
152 HD2 HIS 23 2HD HIS 23 -0.138 -4.841 -0.505
153 HE1 HIS 23 1HE HIS 23 0.330 -8.863 -1.712
154 HE2 HIS 23 2HE HIS 23 1.357 -6.884 -0.486
155 H CYS 24 H CYS 24 -3.249 -3.489 0.763
156 HA CYS 24 HA CYS 24 -1.170 -4.224 2.478
157 1HB CYS 24 2HB CYS 24 -2.873 -1.732 2.456
158 2HB CYS 24 1HB CYS 24 -1.391 -1.898 3.381
159 H LYS 25 H LYS 25 -4.686 -4.095 3.014
160 HA LYS 25 HA LYS 25 -4.379 -4.387 5.820
161 1HB LYS 25 2HB LYS 25 -6.562 -4.146 3.848
162 2HB LYS 25 1HB LYS 25 -6.911 -4.743 5.453
163 1HG LYS 25 2HG LYS 25 -6.156 -2.700 6.442
164 2HG LYS 25 1HG LYS 25 -5.484 -2.150 4.906
165 1HD LYS 25 2HD LYS 25 -7.693 -1.982 3.955
166 2HD LYS 25 1HD LYS 25 -8.409 -2.653 5.423
167 1HE LYS 25 2HE LYS 25 -7.862 -0.751 6.685
168 2HE LYS 25 1HE LYS 25 -6.748 -0.154 5.459
169 1HZ LYS 25 1HZ LYS 25 -8.879 1.039 5.510
170 2HZ LYS 25 2HZ LYS 25 -9.688 -0.371 5.010
171 3HZ LYS 25 3HZ LYS 25 -8.493 0.329 4.038
172 H ASN 26 H ASN 26 -5.748 -6.420 3.138
173 HA ASN 26 HA ASN 26 -6.326 -8.592 4.800
174 1HB ASN 26 2HB ASN 26 -7.484 -8.201 2.738
175 2HB ASN 26 1HB ASN 26 -5.982 -8.311 1.830
176 1HD2 ASN 26 1HD2 ASN 26 -6.457 -9.962 0.606
177 2HD2 ASN 26 2HD2 ASN 26 -6.766 -11.569 1.170
178 H LYS 27 H LYS 27 -3.636 -7.909 2.592
179 HA LYS 27 HA LYS 27 -2.540 -10.527 3.214
180 1HB LYS 27 2HB LYS 27 -2.717 -9.387 0.866
181 2HB LYS 27 1HB LYS 27 -1.276 -8.528 1.363
182 1HG LYS 27 2HG LYS 27 -1.525 -11.532 1.170
183 2HG LYS 27 1HG LYS 27 -0.810 -10.497 -0.057
184 1HD LYS 27 2HD LYS 27 0.933 -9.847 1.521
185 2HD LYS 27 1HD LYS 27 0.185 -10.853 2.766
186 1HE LYS 27 2HE LYS 27 1.283 -11.833 0.132
187 2HE LYS 27 1HE LYS 27 2.083 -11.982 1.694
188 1HZ LYS 27 1HZ LYS 27 -0.518 -13.240 0.961
189 2HZ LYS 27 2HZ LYS 27 0.242 -13.362 2.459
190 3HZ LYS 27 3HZ LYS 27 0.975 -14.006 1.077
191 H GLU 28 H GLU 28 -1.495 -7.100 3.321
192 HA GLU 28 HA GLU 28 0.844 -8.030 4.732
193 1HB GLU 28 2HB GLU 28 0.294 -5.256 3.678
194 2HB GLU 28 1HB GLU 28 1.826 -5.809 4.352
195 1HG GLU 28 2HG GLU 28 1.687 -7.680 2.585
196 2HG GLU 28 1HG GLU 28 0.467 -6.694 1.837
197 H HIS 29 H HIS 29 -2.095 -6.668 5.510
198 HA HIS 29 HA HIS 29 -3.084 -6.046 7.343
199 1HB HIS 29 2HB HIS 29 -0.975 -7.798 8.584
200 2HB HIS 29 1HB HIS 29 -2.242 -7.045 9.550
201 HD1 HIS 29 1HD HIS 29 -4.693 -7.864 9.105
202 HD2 HIS 29 2HD HIS 29 -1.779 -9.966 7.036
203 HE1 HIS 29 1HE HIS 29 -5.830 -9.927 8.255
204 HE2 HIS 29 2HE HIS 29 -4.176 -10.772 6.602
205 H LEU 30 H LEU 30 -1.673 -4.075 6.406
206 HA LEU 30 HA LEU 30 -0.486 -2.716 8.714
207 1HB LEU 30 2HB LEU 30 -0.292 -2.109 5.762
208 2HB LEU 30 1HB LEU 30 0.430 -1.126 7.022
209 HG LEU 30 HG LEU 30 1.174 -3.987 6.375
210 1HD1 LEU 30 1HD1 LEU 30 3.296 -3.033 5.636
211 2HD1 LEU 30 2HD1 LEU 30 2.652 -1.410 5.901
212 3HD1 LEU 30 3HD1 LEU 30 1.941 -2.453 4.671
213 1HD2 LEU 30 1HD2 LEU 30 1.457 -3.539 8.749
214 2HD2 LEU 30 2HD2 LEU 30 2.344 -2.062 8.384
215 3HD2 LEU 30 3HD2 LEU 30 3.029 -3.627 7.951
216 H ARG 31 H ARG 31 -0.889 -0.076 7.877
217 HA ARG 31 HA ARG 31 -3.365 0.423 9.058
218 1HB ARG 31 2HB ARG 31 -1.429 1.999 9.049
219 2HB ARG 31 1HB ARG 31 -1.674 2.249 7.381
220 1HG ARG 31 2HG ARG 31 -2.616 4.138 8.436
221 2HG ARG 31 1HG ARG 31 -3.956 3.160 7.851
222 1HD ARG 31 2HD ARG 31 -2.910 3.131 10.661
223 2HD ARG 31 1HD ARG 31 -4.273 4.125 10.143
224 HE ARG 31 HE ARG 31 -4.686 1.353 9.569
225 1HH1 ARG 31 1HH1 ARG 31 -4.863 3.731 12.178
226 2HH1 ARG 31 2HH1 ARG 31 -5.924 2.808 13.131
227 1HH2 ARG 31 1HH2 ARG 31 -6.094 0.084 10.853
228 2HH2 ARG 31 2HH2 ARG 31 -6.663 0.642 12.347
229 H SER 32 H SER 32 -2.391 1.139 5.714
230 HA SER 32 HA SER 32 -4.869 0.364 4.515
231 1HB SER 32 2HB SER 32 -4.131 3.311 4.561
232 2HB SER 32 1HB SER 32 -5.480 2.587 3.707
233 HG SER 32 HG SER 32 -5.592 1.910 6.297
234 H GLY 33 H GLY 33 -4.636 1.501 2.173
235 1HA GLY 33 2HA GLY 33 -1.845 1.609 1.435
236 2HA GLY 33 1HA GLY 33 -2.823 0.334 0.706
237 H ARG 34 H ARG 34 -1.506 2.865 -0.235
238 HA ARG 34 HA ARG 34 -3.816 3.763 -1.754
239 1HB ARG 34 2HB ARG 34 -1.745 5.503 -0.475
240 2HB ARG 34 1HB ARG 34 -2.659 6.025 -1.888
241 1HG ARG 34 2HG ARG 34 -4.666 5.667 -0.770
242 2HG ARG 34 1HG ARG 34 -3.855 5.152 0.726
243 1HD ARG 34 2HD ARG 34 -3.738 7.876 -0.597
244 2HD ARG 34 1HD ARG 34 -4.510 7.493 0.938
245 HE ARG 34 HE ARG 34 -1.733 6.839 1.011
246 1HH1 ARG 34 1HH1 ARG 34 -3.945 9.603 1.242
247 2HH1 ARG 34 2HH1 ARG 34 -2.807 10.599 2.020
248 1HH2 ARG 34 1HH2 ARG 34 -0.267 8.108 2.008
249 2HH2 ARG 34 2HH2 ARG 34 -0.580 9.733 2.489
250 H CYS 35 H CYS 35 -3.613 4.364 -3.653
251 HA CYS 35 HA CYS 35 -1.269 3.164 -4.945
252 1HB CYS 35 2HB CYS 35 -3.581 2.273 -5.360
253 2HB CYS 35 1HB CYS 35 -3.938 3.789 -6.177
254 H ARG 36 H ARG 36 0.137 4.639 -5.544
255 HA ARG 36 HA ARG 36 -0.901 7.318 -5.946
256 1HB ARG 36 2HB ARG 36 1.963 6.627 -5.390
257 2HB ARG 36 1HB ARG 36 1.210 8.216 -5.320
258 1HG ARG 36 2HG ARG 36 -0.309 7.234 -3.546
259 2HG ARG 36 1HG ARG 36 0.809 5.888 -3.509
260 1HD ARG 36 2HD ARG 36 1.236 8.753 -2.702
261 2HD ARG 36 1HD ARG 36 1.584 7.285 -1.789
262 HE ARG 36 HE ARG 36 3.170 7.600 -4.161
263 1HH1 ARG 36 1HH1 ARG 36 3.007 7.932 -0.631
264 2HH1 ARG 36 2HH1 ARG 36 4.605 8.518 -0.486
265 1HH2 ARG 36 1HH2 ARG 36 5.388 8.388 -3.932
266 2HH2 ARG 36 2HH2 ARG 36 5.972 8.783 -2.379
267 H ASP 37 H ASP 37 0.822 8.654 -7.389
268 HA ASP 37 HA ASP 37 0.547 7.796 -10.073
269 1HB ASP 37 2HB ASP 37 0.567 10.149 -9.475
270 2HB ASP 37 1HB ASP 37 2.185 10.006 -8.819
271 H ASP 38 H ASP 38 2.669 6.827 -7.836
272 HA ASP 38 HA ASP 38 5.057 6.296 -9.314
273 1HB ASP 38 2HB ASP 38 3.946 4.908 -6.861
274 2HB ASP 38 1HB ASP 38 5.601 4.802 -7.445
275 H PHE 39 H PHE 39 1.917 4.994 -9.254
276 HA PHE 39 HA PHE 39 0.828 3.273 -10.171
277 1HB PHE 39 2HB PHE 39 3.424 2.707 -11.638
278 2HB PHE 39 1HB PHE 39 1.915 1.869 -11.943
279 HD1 PHE 39 1HD PHE 39 -0.073 3.254 -12.709
280 HD2 PHE 39 2HD PHE 39 3.928 4.692 -12.724
281 HE1 PHE 39 1HE PHE 39 -0.697 4.967 -14.357
282 HE2 PHE 39 2HE PHE 39 3.308 6.409 -14.365
283 HZ PHE 39 HZ PHE 39 0.996 6.547 -15.187
284 H ARG 40 H ARG 40 2.490 3.093 -7.772
285 HA ARG 40 HA ARG 40 2.491 0.183 -7.557
286 1HB ARG 40 2HB ARG 40 4.467 2.061 -6.221
287 2HB ARG 40 1HB ARG 40 4.365 0.328 -5.975
288 1HG ARG 40 2HG ARG 40 4.885 -0.013 -8.366
289 2HG ARG 40 1HG ARG 40 5.076 1.731 -8.534
290 1HD ARG 40 2HD ARG 40 7.231 0.732 -8.256
291 2HD ARG 40 1HD ARG 40 6.841 1.655 -6.806
292 HE ARG 40 HE ARG 40 6.049 -1.037 -6.538
293 1HH1 ARG 40 1HH1 ARG 40 8.869 1.092 -6.333
294 2HH1 ARG 40 2HH1 ARG 40 9.807 -0.014 -5.442
295 1HH2 ARG 40 1HH2 ARG 40 7.367 -2.533 -5.267
296 2HH2 ARG 40 2HH2 ARG 40 8.961 -2.074 -4.830
297 H CYS 41 H CYS 41 2.139 -0.570 -5.395
298 HA CYS 41 HA CYS 41 0.078 0.929 -4.094
299 1HB CYS 41 2HB CYS 41 -0.289 -1.331 -4.624
300 2HB CYS 41 1HB CYS 41 1.184 -1.873 -3.805
301 H TRP 42 H TRP 42 0.423 2.083 -2.356
302 HA TRP 42 HA TRP 42 2.914 1.791 -0.849
303 1HB TRP 42 2HB TRP 42 1.183 4.152 -1.536
304 2HB TRP 42 1HB TRP 42 2.294 4.200 -0.182
305 HD1 TRP 42 HD TRP 42 2.367 3.740 -4.031
306 HE1 TRP 42 1HE TRP 42 4.660 4.605 -4.861
307 HE3 TRP 42 3HE TRP 42 4.516 4.822 0.465
308 HZ2 TRP 42 2HZ TRP 42 7.042 5.590 -3.754
309 HZ3 TRP 42 3HZ TRP 42 6.739 5.711 0.530
310 HH2 TRP 42 HH TRP 42 8.027 6.106 -1.547
311 H CYS 43 H CYS 43 2.467 0.743 0.975
312 HA CYS 43 HA CYS 43 -0.167 0.832 2.187
313 1HB CYS 43 2HB CYS 43 2.347 -0.611 3.047
314 2HB CYS 43 1HB CYS 43 0.738 -0.823 3.722
315 H THR 44 H THR 44 -0.620 2.014 3.990
316 HA THR 44 HA THR 44 1.444 3.786 4.978
317 HB THR 44 HB THR 44 -1.502 3.637 5.715
318 HG1 THR 44 1HG THR 44 -0.312 4.962 3.451
319 1HG2 THR 44 1HG2 THR 44 0.485 5.924 5.737
320 2HG2 THR 44 2HG2 THR 44 -0.076 5.030 7.152
321 3HG2 THR 44 3HG2 THR 44 -1.205 6.023 6.237
322 H ARG 45 H ARG 45 2.059 3.534 7.210
323 HA ARG 45 HA ARG 45 0.661 1.424 8.669
324 1HB ARG 45 2HB ARG 45 2.640 0.381 9.429
325 2HB ARG 45 1HB ARG 45 2.909 0.605 7.711
326 1HG ARG 45 2HG ARG 45 4.327 2.538 8.169
327 2HG ARG 45 1HG ARG 45 4.011 2.377 9.898
328 1HD ARG 45 2HD ARG 45 4.964 0.027 9.690
329 2HD ARG 45 1HD ARG 45 5.530 0.513 8.094
330 HE ARG 45 HE ARG 45 6.278 2.099 10.440
331 1HH1 ARG 45 1HH1 ARG 45 7.345 0.040 7.729
332 2HH1 ARG 45 2HH1 ARG 45 8.987 0.195 8.090
333 1HH2 ARG 45 1HH2 ARG 45 8.520 2.325 10.912
334 2HH2 ARG 45 2HH2 ARG 45 9.686 1.555 9.927
335 H ASN 46 H ASN 46 0.883 1.644 10.983
336 HA ASN 46 HA ASN 46 0.725 4.242 11.922
337 1HB ASN 46 2HB ASN 46 1.140 1.596 13.279
338 2HB ASN 46 1HB ASN 46 0.688 3.103 14.055
339 1HD2 ASN 46 1HD2 ASN 46 -0.688 0.568 13.970
340 2HD2 ASN 46 2HD2 ASN 46 -2.226 0.841 13.239
341 H CYS 47 H CYS 47 2.327 5.488 12.859
342 HA CYS 47 HA CYS 47 4.635 4.343 13.938
343 1HB CYS 47 2HB CYS 47 6.306 5.450 12.542
344 2HB CYS 47 1HB CYS 47 5.299 4.472 11.490
Start of MODEL 13
1 1H LYS 1 1HT LYS 1 3.046 12.211 11.472
2 2H LYS 1 2HT LYS 1 2.630 12.477 13.060
3 3H LYS 1 3HT LYS 1 1.413 12.308 11.862
4 HA LYS 1 HA LYS 1 3.335 10.241 12.747
5 1HB LYS 1 2HB LYS 1 0.290 10.212 12.952
6 2HB LYS 1 1HB LYS 1 1.376 8.939 13.428
7 1HG LYS 1 2HG LYS 1 0.699 9.921 15.439
8 2HG LYS 1 1HG LYS 1 2.318 10.541 15.163
9 1HD LYS 1 2HD LYS 1 0.907 12.324 15.949
10 2HD LYS 1 1HD LYS 1 1.315 12.627 14.264
11 1HE LYS 1 2HE LYS 1 -0.885 11.737 13.580
12 2HE LYS 1 1HE LYS 1 -1.260 11.423 15.273
13 1HZ LYS 1 1HZ LYS 1 -2.253 13.483 14.469
14 2HZ LYS 1 2HZ LYS 1 -0.722 14.090 14.101
15 3HZ LYS 1 3HZ LYS 1 -1.138 13.780 15.705
16 H THR 2 H THR 2 2.178 8.091 11.931
17 HA THR 2 HA THR 2 1.780 6.659 10.359
18 HB THR 2 HB THR 2 0.464 7.167 8.293
19 HG1 THR 2 1HG THR 2 1.046 9.728 8.979
20 1HG2 THR 2 1HG2 THR 2 -0.666 6.509 10.345
21 2HG2 THR 2 2HG2 THR 2 -1.641 7.664 9.449
22 3HG2 THR 2 3HG2 THR 2 -0.733 8.192 10.865
23 H CYS 3 H CYS 3 2.870 5.600 8.963
24 HA CYS 3 HA CYS 3 4.804 7.074 7.342
25 1HB CYS 3 2HB CYS 3 5.230 4.490 8.879
26 2HB CYS 3 1HB CYS 3 6.372 5.162 7.723
27 H GLU 4 H GLU 4 5.302 5.956 5.298
28 HA GLU 4 HA GLU 4 3.312 3.930 4.657
29 1HB GLU 4 2HB GLU 4 2.651 6.287 3.938
30 2HB GLU 4 1HB GLU 4 4.038 6.245 2.875
31 1HG GLU 4 2HG GLU 4 3.118 4.371 1.677
32 2HG GLU 4 1HG GLU 4 1.770 4.306 2.801
33 H ASN 5 H ASN 5 4.005 2.459 3.106
34 HA ASN 5 HA ASN 5 6.546 2.744 1.769
35 1HB ASN 5 2HB ASN 5 6.994 1.808 4.199
36 2HB ASN 5 1HB ASN 5 6.199 0.366 3.566
37 1HD2 ASN 5 1HD2 ASN 5 8.988 2.419 3.319
38 2HD2 ASN 5 2HD2 ASN 5 9.985 1.307 2.464
39 H LEU 6 H LEU 6 6.881 0.810 0.429
40 HA LEU 6 HA LEU 6 4.720 0.464 -1.229
41 1HB LEU 6 2HB LEU 6 7.302 -0.927 -0.798
42 2HB LEU 6 1HB LEU 6 6.218 -1.236 -2.129
43 HG LEU 6 HG LEU 6 7.459 1.461 -1.611
44 1HD1 LEU 6 1HD1 LEU 6 8.333 -0.755 -3.456
45 2HD1 LEU 6 2HD1 LEU 6 9.216 -0.169 -2.040
46 3HD1 LEU 6 3HD1 LEU 6 8.973 0.883 -3.437
47 1HD2 LEU 6 1HD2 LEU 6 5.419 1.470 -2.953
48 2HD2 LEU 6 2HD2 LEU 6 6.118 0.249 -4.019
49 3HD2 LEU 6 3HD2 LEU 6 6.834 1.855 -3.930
50 H ALA 7 H ALA 7 3.330 -1.236 -1.455
51 HA ALA 7 HA ALA 7 3.057 -3.174 0.632
52 1HB ALA 7 1HB ALA 7 1.107 -2.465 -0.647
53 2HB ALA 7 2HB ALA 7 1.398 -4.186 -0.915
54 3HB ALA 7 3HB ALA 7 1.869 -3.008 -2.139
55 H ASN 8 H ASN 8 4.515 -4.701 0.812
56 HA ASN 8 HA ASN 8 6.272 -5.141 -1.424
57 1HB ASN 8 2HB ASN 8 7.729 -6.441 0.088
58 2HB ASN 8 1HB ASN 8 7.382 -4.830 0.692
59 1HD2 ASN 8 1HD2 ASN 8 6.175 -4.607 2.553
60 2HD2 ASN 8 2HD2 ASN 8 5.813 -5.918 3.594
61 H THR 9 H THR 9 3.478 -6.601 -0.490
62 HA THR 9 HA THR 9 4.358 -8.867 -2.088
63 HB THR 9 HB THR 9 2.286 -10.095 -1.142
64 HG1 THR 9 1HG THR 9 2.557 -7.919 0.652
65 1HG2 THR 9 1HG2 THR 9 4.552 -10.785 -0.652
66 2HG2 THR 9 2HG2 THR 9 3.588 -10.864 0.824
67 3HG2 THR 9 3HG2 THR 9 4.707 -9.524 0.566
68 H TYR 10 H TYR 10 3.036 -6.176 -2.620
69 HA TYR 10 HA TYR 10 0.950 -7.216 -4.415
70 1HB TYR 10 2HB TYR 10 0.405 -5.244 -2.928
71 2HB TYR 10 1HB TYR 10 1.586 -4.305 -3.828
72 HD1 TYR 10 1HD TYR 10 1.088 -4.268 -6.498
73 HD2 TYR 10 2HD TYR 10 -1.822 -5.050 -3.495
74 HE1 TYR 10 1HE TYR 10 -0.687 -3.538 -8.036
75 HE2 TYR 10 2HE TYR 10 -3.604 -4.340 -5.033
76 HH TYR 10 HH TYR 10 -3.138 -3.923 -8.331
77 H ARG 11 H ARG 11 2.232 -8.065 -5.856
78 HA ARG 11 HA ARG 11 4.421 -6.502 -6.947
79 1HB ARG 11 2HB ARG 11 4.786 -8.849 -6.191
80 2HB ARG 11 1HB ARG 11 3.685 -9.379 -7.452
81 1HG ARG 11 2HG ARG 11 5.185 -8.542 -9.155
82 2HG ARG 11 1HG ARG 11 6.265 -7.915 -7.904
83 1HD ARG 11 2HD ARG 11 5.543 -10.805 -8.328
84 2HD ARG 11 1HD ARG 11 7.063 -10.046 -8.793
85 HE ARG 11 HE ARG 11 6.998 -9.510 -6.188
86 1HH1 ARG 11 1HH1 ARG 11 6.400 -12.554 -7.912
87 2HH1 ARG 11 2HH1 ARG 11 6.914 -13.537 -6.617
88 1HH2 ARG 11 1HH2 ARG 11 7.752 -10.887 -4.440
89 2HH2 ARG 11 2HH2 ARG 11 7.666 -12.581 -4.610
90 H GLY 12 H GLY 12 4.366 -5.657 -8.903
91 1HA GLY 12 2HA GLY 12 3.687 -5.862 -11.229
92 2HA GLY 12 1HA GLY 12 2.097 -6.345 -10.640
93 HA PRO 13 HA PRO 13 2.213 -1.724 -11.152
94 1HB PRO 13 2HB PRO 13 0.264 -1.895 -13.263
95 2HB PRO 13 1HB PRO 13 1.923 -1.307 -13.362
96 1HG PRO 13 2HG PRO 13 1.023 -3.608 -14.571
97 2HG PRO 13 1HG PRO 13 2.710 -3.303 -14.128
98 1HD PRO 13 2HD PRO 13 0.640 -4.918 -12.698
99 2HD PRO 13 1HD PRO 13 2.374 -5.249 -12.925
100 H CYS 14 H CYS 14 0.915 -0.634 -9.945
101 HA CYS 14 HA CYS 14 -1.675 -1.669 -9.160
102 1HB CYS 14 2HB CYS 14 -0.144 -0.982 -7.394
103 2HB CYS 14 1HB CYS 14 0.036 0.602 -8.136
104 H PHE 15 H PHE 15 -3.499 -0.459 -9.442
105 HA PHE 15 HA PHE 15 -3.266 1.833 -11.263
106 1HB PHE 15 2HB PHE 15 -5.346 -0.353 -11.491
107 2HB PHE 15 1HB PHE 15 -5.204 1.060 -12.530
108 HD1 PHE 15 1HD PHE 15 -4.172 -2.308 -11.978
109 HD2 PHE 15 2HD PHE 15 -3.061 1.313 -13.903
110 HE1 PHE 15 1HE PHE 15 -2.638 -3.554 -13.430
111 HE2 PHE 15 2HE PHE 15 -1.529 0.075 -15.362
112 HZ PHE 15 HZ PHE 15 -1.313 -2.366 -15.125
113 H THR 16 H THR 16 -5.529 0.126 -9.064
114 HA THR 16 HA THR 16 -6.728 2.707 -8.473
115 HB THR 16 HB THR 16 -8.575 1.079 -7.606
116 HG1 THR 16 1HG THR 16 -7.923 -0.957 -7.939
117 1HG2 THR 16 1HG2 THR 16 -8.864 2.619 -9.505
118 2HG2 THR 16 2HG2 THR 16 -9.577 1.050 -9.880
119 3HG2 THR 16 3HG2 THR 16 -8.006 1.492 -10.548
120 H THR 17 H THR 17 -6.866 3.412 -6.419
121 HA THR 17 HA THR 17 -5.164 2.474 -4.438
122 HB THR 17 HB THR 17 -7.451 4.420 -4.425
123 HG1 THR 17 1HG THR 17 -5.908 5.446 -5.329
124 1HG2 THR 17 1HG2 THR 17 -6.583 5.207 -2.186
125 2HG2 THR 17 2HG2 THR 17 -5.639 3.708 -2.093
126 3HG2 THR 17 3HG2 THR 17 -7.386 3.648 -2.160
127 H GLY 18 H GLY 18 -8.562 1.788 -5.014
128 1HA GLY 18 2HA GLY 18 -9.151 0.638 -2.528
129 2HA GLY 18 1HA GLY 18 -9.980 0.289 -4.036
130 H SER 19 H SER 19 -7.548 -0.720 -5.336
131 HA SER 19 HA SER 19 -7.765 -3.437 -4.485
132 1HB SER 19 2HB SER 19 -5.806 -2.210 -6.438
133 2HB SER 19 1HB SER 19 -6.367 -3.886 -6.391
134 HG SER 19 HG SER 19 -7.873 -3.259 -7.678
135 H CYS 20 H CYS 20 -5.487 -0.828 -4.255
136 HA CYS 20 HA CYS 20 -3.332 -2.256 -3.094
137 1HB CYS 20 2HB CYS 20 -3.113 0.005 -4.234
138 2HB CYS 20 1HB CYS 20 -4.054 0.673 -2.954
139 H ASP 21 H ASP 21 -5.895 -0.190 -1.838
140 HA ASP 21 HA ASP 21 -5.397 -0.233 0.885
141 1HB ASP 21 2HB ASP 21 -6.894 1.314 -0.103
142 2HB ASP 21 1HB ASP 21 -7.972 0.042 -0.692
143 H ASP 22 H ASP 22 -7.517 -2.355 -1.018
144 HA ASP 22 HA ASP 22 -8.374 -3.996 1.069
145 1HB ASP 22 2HB ASP 22 -9.401 -4.074 -1.154
146 2HB ASP 22 1HB ASP 22 -7.920 -4.751 -1.824
147 H HIS 23 H HIS 23 -5.647 -4.407 -1.121
148 HA HIS 23 HA HIS 23 -4.685 -6.814 -0.069
149 1HB HIS 23 2HB HIS 23 -3.899 -6.101 -2.217
150 2HB HIS 23 1HB HIS 23 -3.294 -4.587 -1.559
151 HD1 HIS 23 1HD HIS 23 -2.428 -8.255 -1.808
152 HD2 HIS 23 2HD HIS 23 -0.772 -4.699 -0.437
153 HE1 HIS 23 1HE HIS 23 -0.055 -8.781 -1.253
154 HE2 HIS 23 2HE HIS 23 0.843 -6.642 -0.207
155 H CYS 24 H CYS 24 -3.783 -3.485 0.731
156 HA CYS 24 HA CYS 24 -1.770 -4.166 2.561
157 1HB CYS 24 2HB CYS 24 -3.414 -1.670 2.241
158 2HB CYS 24 1HB CYS 24 -2.053 -1.778 3.347
159 H LYS 25 H LYS 25 -5.301 -3.677 3.059
160 HA LYS 25 HA LYS 25 -5.101 -3.816 5.844
161 1HB LYS 25 2HB LYS 25 -7.252 -4.007 3.793
162 2HB LYS 25 1HB LYS 25 -7.572 -4.230 5.495
163 1HG LYS 25 2HG LYS 25 -6.859 -1.970 5.969
164 2HG LYS 25 1HG LYS 25 -6.322 -1.767 4.299
165 1HD LYS 25 2HD LYS 25 -8.608 -2.015 3.513
166 2HD LYS 25 1HD LYS 25 -9.159 -2.292 5.164
167 1HE LYS 25 2HE LYS 25 -8.580 -0.060 5.799
168 2HE LYS 25 1HE LYS 25 -7.773 0.221 4.259
169 1HZ LYS 25 1HZ LYS 25 -10.681 -0.313 4.549
170 2HZ LYS 25 2HZ LYS 25 -9.822 0.053 3.127
171 3HZ LYS 25 3HZ LYS 25 -9.993 1.217 4.315
172 H ASN 26 H ASN 26 -6.218 -6.110 3.288
173 HA ASN 26 HA ASN 26 -6.923 -8.178 5.005
174 1HB ASN 26 2HB ASN 26 -7.826 -7.911 2.793
175 2HB ASN 26 1HB ASN 26 -6.226 -8.060 2.085
176 1HD2 ASN 26 1HD2 ASN 26 -6.715 -9.755 0.828
177 2HD2 ASN 26 2HD2 ASN 26 -7.022 -11.329 1.453
178 H LYS 27 H LYS 27 -4.012 -7.711 2.986
179 HA LYS 27 HA LYS 27 -2.961 -10.202 4.070
180 1HB LYS 27 2HB LYS 27 -3.041 -9.748 1.585
181 2HB LYS 27 1HB LYS 27 -1.812 -8.526 1.830
182 1HG LYS 27 2HG LYS 27 -1.438 -11.461 2.481
183 2HG LYS 27 1HG LYS 27 -0.956 -10.720 0.964
184 1HD LYS 27 2HD LYS 27 0.639 -9.327 2.123
185 2HD LYS 27 1HD LYS 27 0.083 -9.932 3.684
186 1HE LYS 27 2HE LYS 27 0.776 -12.200 2.979
187 2HE LYS 27 1HE LYS 27 1.441 -11.501 1.503
188 1HZ LYS 27 1HZ LYS 27 2.955 -10.193 2.827
189 2HZ LYS 27 2HZ LYS 27 3.100 -11.826 3.272
190 3HZ LYS 27 3HZ LYS 27 2.244 -10.760 4.243
191 H GLU 28 H GLU 28 -1.977 -6.773 3.729
192 HA GLU 28 HA GLU 28 0.396 -7.556 5.148
193 1HB GLU 28 2HB GLU 28 -0.139 -4.916 3.777
194 2HB GLU 28 1HB GLU 28 1.396 -5.369 4.530
195 1HG GLU 28 2HG GLU 28 1.226 -7.468 3.025
196 2HG GLU 28 1HG GLU 28 0.071 -6.539 2.115
197 H HIS 29 H HIS 29 -2.493 -6.464 5.930
198 HA HIS 29 HA HIS 29 -3.496 -6.124 7.877
199 1HB HIS 29 2HB HIS 29 -0.819 -6.685 9.189
200 2HB HIS 29 1HB HIS 29 -2.383 -6.745 9.982
201 HD1 HIS 29 1HD HIS 29 0.065 -8.899 8.673
202 HD2 HIS 29 2HD HIS 29 -4.081 -8.869 8.469
203 HE1 HIS 29 1HE HIS 29 -0.587 -11.224 8.053
204 HE2 HIS 29 2HE HIS 29 -3.039 -11.089 7.625
205 H LEU 30 H LEU 30 -2.173 -3.921 6.507
206 HA LEU 30 HA LEU 30 -1.397 -2.208 8.717
207 1HB LEU 30 2HB LEU 30 -1.008 -1.825 5.755
208 2HB LEU 30 1HB LEU 30 -0.478 -0.686 6.979
209 HG LEU 30 HG LEU 30 0.536 -3.513 6.617
210 1HD1 LEU 30 1HD1 LEU 30 1.869 -0.867 6.147
211 2HD1 LEU 30 2HD1 LEU 30 1.447 -2.098 4.948
212 3HD1 LEU 30 3HD1 LEU 30 2.682 -2.429 6.155
213 1HD2 LEU 30 1HD2 LEU 30 1.295 -1.454 8.688
214 2HD2 LEU 30 2HD2 LEU 30 2.176 -2.943 8.367
215 3HD2 LEU 30 3HD2 LEU 30 0.524 -3.017 8.973
216 H ARG 31 H ARG 31 -1.957 0.294 7.661
217 HA ARG 31 HA ARG 31 -4.555 0.602 8.792
218 1HB ARG 31 2HB ARG 31 -2.423 2.196 8.656
219 2HB ARG 31 1HB ARG 31 -3.147 2.665 7.187
220 1HG ARG 31 2HG ARG 31 -5.178 3.423 8.256
221 2HG ARG 31 1HG ARG 31 -4.543 2.918 9.831
222 1HD ARG 31 2HD ARG 31 -2.640 4.435 9.534
223 2HD ARG 31 1HD ARG 31 -3.308 4.976 8.001
224 HE ARG 31 HE ARG 31 -4.715 5.312 10.551
225 1HH1 ARG 31 1HH1 ARG 31 -3.747 6.626 7.416
226 2HH1 ARG 31 2HH1 ARG 31 -4.125 8.237 7.779
227 1HH2 ARG 31 1HH2 ARG 31 -5.292 7.566 11.056
228 2HH2 ARG 31 2HH2 ARG 31 -5.079 8.768 9.880
229 H SER 32 H SER 32 -3.260 1.322 5.566
230 HA SER 32 HA SER 32 -5.650 0.612 4.124
231 1HB SER 32 2HB SER 32 -4.712 3.494 4.103
232 2HB SER 32 1HB SER 32 -6.089 2.801 3.260
233 HG SER 32 HG SER 32 -6.502 2.276 5.784
234 H GLY 33 H GLY 33 -5.099 1.615 1.777
235 1HA GLY 33 2HA GLY 33 -2.244 1.551 1.354
236 2HA GLY 33 1HA GLY 33 -3.222 0.330 0.534
237 H ARG 34 H ARG 34 -1.658 2.749 -0.319
238 HA ARG 34 HA ARG 34 -3.777 3.852 -2.005
239 1HB ARG 34 2HB ARG 34 -1.632 5.381 -0.586
240 2HB ARG 34 1HB ARG 34 -2.400 5.957 -2.068
241 1HG ARG 34 2HG ARG 34 -4.482 5.909 -1.102
242 2HG ARG 34 1HG ARG 34 -3.895 5.226 0.426
243 1HD ARG 34 2HD ARG 34 -3.205 7.948 -0.726
244 2HD ARG 34 1HD ARG 34 -4.234 7.651 0.672
245 HE ARG 34 HE ARG 34 -1.430 6.765 0.751
246 1HH1 ARG 34 1HH1 ARG 34 -3.924 8.965 2.025
247 2HH1 ARG 34 2HH1 ARG 34 -2.936 9.461 3.326
248 1HH2 ARG 34 1HH2 ARG 34 -0.199 7.450 2.449
249 2HH2 ARG 34 2HH2 ARG 34 -0.755 8.638 3.577
250 H CYS 35 H CYS 35 -3.437 4.340 -3.851
251 HA CYS 35 HA CYS 35 -1.190 2.857 -4.982
252 1HB CYS 35 2HB CYS 35 -3.582 2.381 -5.637
253 2HB CYS 35 1HB CYS 35 -3.583 3.946 -6.447
254 H ARG 36 H ARG 36 0.441 3.963 -5.833
255 HA ARG 36 HA ARG 36 -0.039 6.800 -6.148
256 1HB ARG 36 2HB ARG 36 2.471 5.385 -5.250
257 2HB ARG 36 1HB ARG 36 2.416 7.103 -5.656
258 1HG ARG 36 2HG ARG 36 0.782 7.525 -3.949
259 2HG ARG 36 1HG ARG 36 0.627 5.818 -3.611
260 1HD ARG 36 2HD ARG 36 1.927 7.002 -1.907
261 2HD ARG 36 1HD ARG 36 2.855 5.757 -2.718
262 HE ARG 36 HE ARG 36 3.421 8.082 -4.049
263 1HH1 ARG 36 1HH1 ARG 36 3.562 7.082 -0.639
264 2HH1 ARG 36 2HH1 ARG 36 5.033 7.876 -0.341
265 1HH2 ARG 36 1HH2 ARG 36 5.454 9.134 -3.627
266 2HH2 ARG 36 2HH2 ARG 36 6.142 9.058 -2.064
267 H ASP 37 H ASP 37 1.505 7.895 -7.640
268 HA ASP 37 HA ASP 37 0.619 7.057 -10.188
269 1HB ASP 37 2HB ASP 37 0.841 9.409 -9.391
270 2HB ASP 37 1HB ASP 37 2.583 9.253 -9.546
271 H ASP 38 H ASP 38 3.378 6.185 -8.537
272 HA ASP 38 HA ASP 38 4.995 5.699 -10.905
273 1HB ASP 38 2HB ASP 38 6.004 6.441 -8.724
274 2HB ASP 38 1HB ASP 38 5.548 4.889 -8.039
275 H PHE 39 H PHE 39 2.365 4.334 -9.958
276 HA PHE 39 HA PHE 39 1.261 2.461 -10.481
277 1HB PHE 39 2HB PHE 39 3.823 1.650 -11.857
278 2HB PHE 39 1HB PHE 39 2.395 0.633 -11.834
279 HD1 PHE 39 1HD PHE 39 4.060 3.407 -13.392
280 HD2 PHE 39 2HD PHE 39 0.294 1.487 -12.908
281 HE1 PHE 39 1HE PHE 39 3.225 4.545 -15.403
282 HE2 PHE 39 2HE PHE 39 -0.550 2.621 -14.919
283 HZ PHE 39 HZ PHE 39 0.915 4.150 -16.171
284 H ARG 40 H ARG 40 2.915 2.714 -8.015
285 HA ARG 40 HA ARG 40 2.744 -0.130 -7.442
286 1HB ARG 40 2HB ARG 40 4.815 1.737 -6.290
287 2HB ARG 40 1HB ARG 40 4.500 0.123 -5.673
288 1HG ARG 40 2HG ARG 40 4.999 -0.704 -8.026
289 2HG ARG 40 1HG ARG 40 5.628 0.916 -8.334
290 1HD ARG 40 2HD ARG 40 7.446 -0.583 -7.715
291 2HD ARG 40 1HD ARG 40 7.210 0.629 -6.456
292 HE ARG 40 HE ARG 40 5.697 -1.388 -5.564
293 1HH1 ARG 40 1HH1 ARG 40 9.069 -1.433 -6.683
294 2HH1 ARG 40 2HH1 ARG 40 9.504 -2.721 -5.655
295 1HH2 ARG 40 1HH2 ARG 40 6.326 -3.128 -4.202
296 2HH2 ARG 40 2HH2 ARG 40 7.945 -3.696 -4.229
297 H CYS 41 H CYS 41 2.045 -0.807 -5.506
298 HA CYS 41 HA CYS 41 0.112 0.880 -4.236
299 1HB CYS 41 2HB CYS 41 -0.472 -1.335 -4.770
300 2HB CYS 41 1HB CYS 41 0.950 -2.008 -3.984
301 H TRP 42 H TRP 42 0.375 1.829 -2.328
302 HA TRP 42 HA TRP 42 2.775 1.262 -0.747
303 1HB TRP 42 2HB TRP 42 1.371 3.849 -1.384
304 2HB TRP 42 1HB TRP 42 2.458 3.682 -0.021
305 HD1 TRP 42 HD TRP 42 2.568 3.384 -3.911
306 HE1 TRP 42 1HE TRP 42 4.929 4.123 -4.657
307 HE3 TRP 42 3HE TRP 42 4.706 4.147 0.672
308 HZ2 TRP 42 2HZ TRP 42 7.329 4.940 -3.468
309 HZ3 TRP 42 3HZ TRP 42 6.996 4.923 0.786
310 HH2 TRP 42 HH TRP 42 8.302 5.313 -1.251
311 H CYS 43 H CYS 43 2.232 0.526 1.196
312 HA CYS 43 HA CYS 43 -0.520 0.728 2.076
313 1HB CYS 43 2HB CYS 43 1.837 -0.745 3.250
314 2HB CYS 43 1HB CYS 43 0.176 -0.831 3.831
315 H THR 44 H THR 44 -1.152 2.075 3.696
316 HA THR 44 HA THR 44 0.847 3.890 4.751
317 HB THR 44 HB THR 44 -2.174 3.949 5.058
318 HG1 THR 44 1HG THR 44 -0.591 5.025 2.895
319 1HG2 THR 44 1HG2 THR 44 -0.892 5.428 6.538
320 2HG2 THR 44 2HG2 THR 44 -1.808 6.368 5.358
321 3HG2 THR 44 3HG2 THR 44 -0.073 6.132 5.143
322 H ARG 45 H ARG 45 1.333 3.721 6.977
323 HA ARG 45 HA ARG 45 -0.399 1.962 8.505
324 1HB ARG 45 2HB ARG 45 1.543 0.803 9.483
325 2HB ARG 45 1HB ARG 45 1.344 0.511 7.765
326 1HG ARG 45 2HG ARG 45 3.179 2.133 7.314
327 2HG ARG 45 1HG ARG 45 3.367 2.334 9.056
328 1HD ARG 45 2HD ARG 45 3.856 -0.025 9.308
329 2HD ARG 45 1HD ARG 45 3.623 -0.282 7.586
330 HE ARG 45 HE ARG 45 5.566 1.479 7.502
331 1HH1 ARG 45 1HH1 ARG 45 5.238 -1.196 9.801
332 2HH1 ARG 45 2HH1 ARG 45 6.891 -1.542 9.877
333 1HH2 ARG 45 1HH2 ARG 45 7.847 1.029 7.608
334 2HH2 ARG 45 2HH2 ARG 45 8.437 -0.213 8.604
335 H ASN 46 H ASN 46 -0.504 2.334 10.725
336 HA ASN 46 HA ASN 46 0.009 4.890 11.583
337 1HB ASN 46 2HB ASN 46 -0.854 2.315 12.784
338 2HB ASN 46 1HB ASN 46 -0.360 3.619 13.842
339 1HD2 ASN 46 1HD2 ASN 46 -2.957 2.373 13.443
340 2HD2 ASN 46 2HD2 ASN 46 -4.045 3.632 13.008
341 H CYS 47 H CYS 47 1.686 5.708 12.558
342 HA CYS 47 HA CYS 47 3.921 4.164 13.422
343 1HB CYS 47 2HB CYS 47 4.183 3.986 11.022
344 2HB CYS 47 1HB CYS 47 3.898 5.700 10.819
Start of MODEL 14
1 1H LYS 1 1HT LYS 1 5.744 7.404 15.846
2 2H LYS 1 2HT LYS 1 5.622 6.009 14.878
3 3H LYS 1 3HT LYS 1 4.233 6.861 15.288
4 HA LYS 1 HA LYS 1 5.025 8.740 13.958
5 1HB LYS 1 2HB LYS 1 7.101 6.707 13.076
6 2HB LYS 1 1HB LYS 1 6.894 8.307 12.428
7 1HG LYS 1 2HG LYS 1 7.688 7.802 15.292
8 2HG LYS 1 1HG LYS 1 8.844 8.015 13.983
9 1HD LYS 1 2HD LYS 1 6.739 10.057 14.693
10 2HD LYS 1 1HD LYS 1 8.377 10.079 15.345
11 1HE LYS 1 2HE LYS 1 9.283 10.274 13.091
12 2HE LYS 1 1HE LYS 1 7.665 10.205 12.406
13 1HZ LYS 1 1HZ LYS 1 8.453 12.449 12.529
14 2HZ LYS 1 2HZ LYS 1 8.735 12.333 14.174
15 3HZ LYS 1 3HZ LYS 1 7.154 12.271 13.581
16 H THR 2 H THR 2 5.131 8.294 11.389
17 HA THR 2 HA THR 2 3.414 6.013 10.829
18 HB THR 2 HB THR 2 2.299 7.472 9.081
19 HG1 THR 2 1HG THR 2 3.740 9.417 10.528
20 1HG2 THR 2 1HG2 THR 2 0.725 8.520 10.681
21 2HG2 THR 2 2HG2 THR 2 1.871 8.207 11.986
22 3HG2 THR 2 3HG2 THR 2 1.121 6.860 11.125
23 H CYS 3 H CYS 3 3.926 4.945 8.994
24 HA CYS 3 HA CYS 3 6.059 6.046 7.338
25 1HB CYS 3 2HB CYS 3 5.931 3.286 8.589
26 2HB CYS 3 1HB CYS 3 7.065 3.759 7.331
27 H GLU 4 H GLU 4 6.002 5.169 5.163
28 HA GLU 4 HA GLU 4 3.732 3.477 4.572
29 1HB GLU 4 2HB GLU 4 3.097 5.921 4.247
30 2HB GLU 4 1HB GLU 4 4.333 5.986 3.012
31 1HG GLU 4 2HG GLU 4 3.201 4.543 1.614
32 2HG GLU 4 1HG GLU 4 2.141 3.977 2.905
33 H ASN 5 H ASN 5 4.241 1.973 3.138
34 HA ASN 5 HA ASN 5 6.627 2.297 1.484
35 1HB ASN 5 2HB ASN 5 6.216 -0.023 3.398
36 2HB ASN 5 1HB ASN 5 7.394 -0.005 2.097
37 1HD2 ASN 5 1HD2 ASN 5 9.201 1.298 2.301
38 2HD2 ASN 5 2HD2 ASN 5 9.682 1.994 3.795
39 H LEU 6 H LEU 6 6.811 0.652 -0.116
40 HA LEU 6 HA LEU 6 4.486 0.393 -1.567
41 1HB LEU 6 2HB LEU 6 7.195 -0.782 -1.564
42 2HB LEU 6 1HB LEU 6 6.020 -1.203 -2.786
43 HG LEU 6 HG LEU 6 6.897 1.646 -2.284
44 1HD1 LEU 6 1HD1 LEU 6 8.411 1.381 -4.190
45 2HD1 LEU 6 2HD1 LEU 6 8.020 -0.338 -4.263
46 3HD1 LEU 6 3HD1 LEU 6 8.873 0.314 -2.865
47 1HD2 LEU 6 1HD2 LEU 6 5.622 0.261 -4.631
48 2HD2 LEU 6 2HD2 LEU 6 6.081 1.962 -4.562
49 3HD2 LEU 6 3HD2 LEU 6 4.811 1.349 -3.503
50 H ALA 7 H ALA 7 3.069 -1.289 -1.768
51 HA ALA 7 HA ALA 7 2.709 -3.143 0.270
52 1HB ALA 7 1HB ALA 7 1.112 -4.206 -1.287
53 2HB ALA 7 2HB ALA 7 1.734 -3.160 -2.575
54 3HB ALA 7 3HB ALA 7 0.918 -2.457 -1.186
55 H ASN 8 H ASN 8 3.471 -5.090 0.628
56 HA ASN 8 HA ASN 8 5.887 -5.813 -0.720
57 1HB ASN 8 2HB ASN 8 4.419 -7.208 1.524
58 2HB ASN 8 1HB ASN 8 6.037 -7.603 0.961
59 1HD2 ASN 8 1HD2 ASN 8 4.079 -5.332 2.672
60 2HD2 ASN 8 2HD2 ASN 8 5.364 -4.439 3.403
61 H THR 9 H THR 9 2.601 -6.904 -0.697
62 HA THR 9 HA THR 9 3.481 -9.124 -2.391
63 HB THR 9 HB THR 9 1.317 -10.272 -1.724
64 HG1 THR 9 1HG THR 9 1.399 -8.138 0.160
65 1HG2 THR 9 1HG2 THR 9 3.340 -9.665 0.436
66 2HG2 THR 9 2HG2 THR 9 3.508 -10.903 -0.811
67 3HG2 THR 9 3HG2 THR 9 2.237 -11.039 0.403
68 H TYR 10 H TYR 10 2.391 -6.296 -2.864
69 HA TYR 10 HA TYR 10 0.397 -7.078 -4.885
70 1HB TYR 10 2HB TYR 10 -0.167 -5.092 -3.415
71 2HB TYR 10 1HB TYR 10 1.228 -4.272 -4.110
72 HD1 TYR 10 1HD TYR 10 1.196 -3.547 -6.458
73 HD2 TYR 10 2HD TYR 10 -2.220 -5.305 -4.644
74 HE1 TYR 10 1HE TYR 10 -0.188 -2.721 -8.294
75 HE2 TYR 10 2HE TYR 10 -3.624 -4.474 -6.489
76 HH TYR 10 HH TYR 10 -2.235 -3.189 -9.357
77 H ARG 11 H ARG 11 1.361 -7.715 -6.640
78 HA ARG 11 HA ARG 11 3.846 -6.376 -7.397
79 1HB ARG 11 2HB ARG 11 3.916 -8.801 -6.785
80 2HB ARG 11 1HB ARG 11 2.864 -9.115 -8.151
81 1HG ARG 11 2HG ARG 11 4.548 -8.462 -9.695
82 2HG ARG 11 1HG ARG 11 5.570 -7.850 -8.387
83 1HD ARG 11 2HD ARG 11 4.749 -10.724 -8.802
84 2HD ARG 11 1HD ARG 11 6.344 -10.044 -9.115
85 HE ARG 11 HE ARG 11 6.462 -9.529 -6.718
86 1HH1 ARG 11 1HH1 ARG 11 4.244 -12.083 -7.759
87 2HH1 ARG 11 2HH1 ARG 11 4.267 -12.925 -6.284
88 1HH2 ARG 11 1HH2 ARG 11 6.463 -10.675 -4.648
89 2HH2 ARG 11 2HH2 ARG 11 5.561 -12.103 -4.468
90 H GLY 12 H GLY 12 3.893 -5.316 -9.262
91 1HA GLY 12 2HA GLY 12 3.328 -5.165 -11.576
92 2HA GLY 12 1HA GLY 12 1.735 -5.799 -11.182
93 HA PRO 13 HA PRO 13 1.624 -1.085 -11.309
94 1HB PRO 13 2HB PRO 13 -0.397 -1.613 -13.404
95 2HB PRO 13 1HB PRO 13 0.940 -0.457 -13.401
96 1HG PRO 13 2HG PRO 13 1.048 -2.642 -14.916
97 2HG PRO 13 1HG PRO 13 2.489 -2.045 -14.071
98 1HD PRO 13 2HD PRO 13 0.645 -4.275 -13.318
99 2HD PRO 13 1HD PRO 13 2.422 -4.245 -13.315
100 H CYS 14 H CYS 14 0.024 0.117 -10.490
101 HA CYS 14 HA CYS 14 -2.398 -1.189 -9.491
102 1HB CYS 14 2HB CYS 14 -0.821 -0.748 -7.716
103 2HB CYS 14 1HB CYS 14 -0.569 0.884 -8.296
104 H PHE 15 H PHE 15 -4.252 0.047 -9.662
105 HA PHE 15 HA PHE 15 -3.991 2.599 -11.088
106 1HB PHE 15 2HB PHE 15 -6.130 0.496 -11.496
107 2HB PHE 15 1HB PHE 15 -6.095 2.075 -12.264
108 HD1 PHE 15 1HD PHE 15 -4.354 2.594 -13.934
109 HD2 PHE 15 2HD PHE 15 -4.812 -1.310 -12.307
110 HE1 PHE 15 1HE PHE 15 -3.027 1.671 -15.787
111 HE2 PHE 15 2HE PHE 15 -3.484 -2.242 -14.156
112 HZ PHE 15 HZ PHE 15 -2.592 -0.745 -15.900
113 H THR 16 H THR 16 -5.879 0.664 -8.768
114 HA THR 16 HA THR 16 -7.225 3.137 -8.036
115 HB THR 16 HB THR 16 -8.982 1.526 -7.071
116 HG1 THR 16 1HG THR 16 -8.119 -0.216 -9.088
117 1HG2 THR 16 1HG2 THR 16 -8.582 1.805 -10.047
118 2HG2 THR 16 2HG2 THR 16 -9.380 2.974 -8.991
119 3HG2 THR 16 3HG2 THR 16 -10.103 1.389 -9.260
120 H THR 17 H THR 17 -7.034 3.919 -6.126
121 HA THR 17 HA THR 17 -5.343 2.925 -4.151
122 HB THR 17 HB THR 17 -7.395 5.107 -4.265
123 HG1 THR 17 1HG THR 17 -5.597 5.591 -5.390
124 1HG2 THR 17 1HG2 THR 17 -5.653 4.419 -1.893
125 2HG2 THR 17 2HG2 THR 17 -7.403 4.510 -1.948
126 3HG2 THR 17 3HG2 THR 17 -6.443 5.977 -2.122
127 H GLY 18 H GLY 18 -8.825 2.603 -4.638
128 1HA GLY 18 2HA GLY 18 -9.537 1.622 -2.113
129 2HA GLY 18 1HA GLY 18 -10.389 1.297 -3.618
130 H SER 19 H SER 19 -8.176 -0.000 -4.925
131 HA SER 19 HA SER 19 -8.591 -2.631 -3.881
132 1HB SER 19 2HB SER 19 -6.819 -1.680 -6.147
133 2HB SER 19 1HB SER 19 -7.327 -3.344 -5.849
134 HG SER 19 HG SER 19 -8.621 -1.353 -7.124
135 H CYS 20 H CYS 20 -6.065 -0.256 -3.968
136 HA CYS 20 HA CYS 20 -3.973 -1.852 -2.975
137 1HB CYS 20 2HB CYS 20 -3.572 0.350 -4.084
138 2HB CYS 20 1HB CYS 20 -4.413 1.126 -2.792
139 H ASP 21 H ASP 21 -6.302 0.332 -1.345
140 HA ASP 21 HA ASP 21 -5.369 -0.098 1.286
141 1HB ASP 21 2HB ASP 21 -6.836 1.764 0.761
142 2HB ASP 21 1HB ASP 21 -8.151 0.663 0.336
143 H ASP 22 H ASP 22 -7.861 -1.675 -0.598
144 HA ASP 22 HA ASP 22 -8.876 -3.523 1.228
145 1HB ASP 22 2HB ASP 22 -9.809 -3.154 -1.021
146 2HB ASP 22 1HB ASP 22 -8.364 -3.850 -1.737
147 H HIS 23 H HIS 23 -6.134 -3.728 -0.908
148 HA HIS 23 HA HIS 23 -5.275 -6.312 -0.237
149 1HB HIS 23 2HB HIS 23 -4.622 -5.282 -2.324
150 2HB HIS 23 1HB HIS 23 -3.859 -3.948 -1.479
151 HD1 HIS 23 1HD HIS 23 -3.343 -7.511 -2.439
152 HD2 HIS 23 2HD HIS 23 -1.299 -4.450 -0.537
153 HE1 HIS 23 1HE HIS 23 -0.997 -8.334 -2.175
154 HE2 HIS 23 2HE HIS 23 0.081 -6.557 -0.694
155 H CYS 24 H CYS 24 -3.997 -3.137 0.776
156 HA CYS 24 HA CYS 24 -2.001 -4.179 2.432
157 1HB CYS 24 2HB CYS 24 -3.338 -1.479 2.462
158 2HB CYS 24 1HB CYS 24 -1.884 -1.858 3.367
159 H LYS 25 H LYS 25 -5.403 -3.332 3.250
160 HA LYS 25 HA LYS 25 -4.975 -3.542 5.986
161 1HB LYS 25 2HB LYS 25 -7.236 -3.278 4.136
162 2HB LYS 25 1HB LYS 25 -7.574 -3.868 5.744
163 1HG LYS 25 2HG LYS 25 -6.545 -1.827 6.683
164 2HG LYS 25 1HG LYS 25 -6.211 -1.264 5.041
165 1HD LYS 25 2HD LYS 25 -8.513 -1.082 4.536
166 2HD LYS 25 1HD LYS 25 -8.974 -1.968 5.983
167 1HE LYS 25 2HE LYS 25 -9.427 0.407 6.269
168 2HE LYS 25 1HE LYS 25 -8.159 -0.122 7.359
169 1HZ LYS 25 1HZ LYS 25 -7.816 2.060 6.164
170 2HZ LYS 25 2HZ LYS 25 -7.477 1.166 4.769
171 3HZ LYS 25 3HZ LYS 25 -6.559 0.970 6.171
172 H ASN 26 H ASN 26 -6.543 -5.850 3.659
173 HA ASN 26 HA ASN 26 -6.867 -7.721 5.796
174 1HB ASN 26 2HB ASN 26 -8.570 -7.431 4.109
175 2HB ASN 26 1HB ASN 26 -7.399 -7.820 2.858
176 1HD2 ASN 26 1HD2 ASN 26 -8.540 -9.466 2.087
177 2HD2 ASN 26 2HD2 ASN 26 -8.741 -10.964 2.910
178 H LYS 27 H LYS 27 -5.027 -7.628 2.743
179 HA LYS 27 HA LYS 27 -3.909 -10.210 3.147
180 1HB LYS 27 2HB LYS 27 -4.274 -9.394 0.899
181 2HB LYS 27 1HB LYS 27 -3.251 -8.003 1.192
182 1HG LYS 27 2HG LYS 27 -2.104 -9.600 -0.197
183 2HG LYS 27 1HG LYS 27 -1.307 -9.501 1.370
184 1HD LYS 27 2HD LYS 27 -2.483 -11.555 2.066
185 2HD LYS 27 1HD LYS 27 -3.222 -11.652 0.468
186 1HE LYS 27 2HE LYS 27 -1.031 -11.846 -0.563
187 2HE LYS 27 1HE LYS 27 -0.256 -11.683 1.009
188 1HZ LYS 27 1HZ LYS 27 -0.356 -13.986 0.373
189 2HZ LYS 27 2HZ LYS 27 -2.007 -13.896 0.111
190 3HZ LYS 27 3HZ LYS 27 -1.402 -13.755 1.682
191 H GLU 28 H GLU 28 -2.729 -6.903 3.680
192 HA GLU 28 HA GLU 28 -0.276 -8.143 4.653
193 1HB GLU 28 2HB GLU 28 -0.616 -5.345 3.599
194 2HB GLU 28 1HB GLU 28 0.892 -5.994 4.236
195 1HG GLU 28 2HG GLU 28 0.519 -7.889 2.514
196 2HG GLU 28 1HG GLU 28 -0.608 -6.784 1.781
197 H HIS 29 H HIS 29 -2.986 -6.768 5.868
198 HA HIS 29 HA HIS 29 -3.666 -6.202 7.943
199 1HB HIS 29 2HB HIS 29 -1.084 -7.540 8.732
200 2HB HIS 29 1HB HIS 29 -2.253 -6.961 9.905
201 HD1 HIS 29 1HD HIS 29 -4.263 -8.414 10.343
202 HD2 HIS 29 2HD HIS 29 -1.946 -9.775 7.192
203 HE1 HIS 29 1HE HIS 29 -5.109 -10.722 9.835
204 HE2 HIS 29 2HE HIS 29 -3.737 -11.497 7.881
205 H LEU 30 H LEU 30 -2.267 -4.195 6.489
206 HA LEU 30 HA LEU 30 -0.912 -2.777 8.646
207 1HB LEU 30 2HB LEU 30 -0.859 -2.260 5.679
208 2HB LEU 30 1HB LEU 30 -0.005 -1.298 6.872
209 HG LEU 30 HG LEU 30 0.513 -4.212 6.247
210 1HD1 LEU 30 1HD1 LEU 30 2.170 -1.764 5.725
211 2HD1 LEU 30 2HD1 LEU 30 1.366 -2.776 4.523
212 3HD1 LEU 30 3HD1 LEU 30 2.694 -3.428 5.482
213 1HD2 LEU 30 1HD2 LEU 30 2.416 -4.012 7.783
214 2HD2 LEU 30 2HD2 LEU 30 0.880 -3.815 8.608
215 3HD2 LEU 30 3HD2 LEU 30 1.874 -2.400 8.247
216 H ARG 31 H ARG 31 -1.235 -0.154 7.796
217 HA ARG 31 HA ARG 31 -3.688 0.334 9.163
218 1HB ARG 31 2HB ARG 31 -1.488 1.714 9.192
219 2HB ARG 31 1HB ARG 31 -2.006 2.380 7.721
220 1HG ARG 31 2HG ARG 31 -4.057 3.272 8.721
221 2HG ARG 31 1HG ARG 31 -3.565 2.622 10.287
222 1HD ARG 31 2HD ARG 31 -1.479 3.990 10.108
223 2HD ARG 31 1HD ARG 31 -2.156 4.735 8.662
224 HE ARG 31 HE ARG 31 -3.826 4.869 11.022
225 1HH1 ARG 31 1HH1 ARG 31 -1.384 6.632 9.077
226 2HH1 ARG 31 2HH1 ARG 31 -1.706 8.107 9.858
227 1HH2 ARG 31 1HH2 ARG 31 -4.205 6.912 12.020
228 2HH2 ARG 31 2HH2 ARG 31 -3.322 8.284 11.528
229 H SER 32 H SER 32 -2.587 1.388 5.955
230 HA SER 32 HA SER 32 -5.191 0.937 4.788
231 1HB SER 32 2HB SER 32 -3.959 3.705 4.772
232 2HB SER 32 1HB SER 32 -5.467 3.214 4.028
233 HG SER 32 HG SER 32 -5.277 4.256 6.323
234 H GLY 33 H GLY 33 -4.892 1.971 2.451
235 1HA GLY 33 2HA GLY 33 -2.156 1.680 1.559
236 2HA GLY 33 1HA GLY 33 -3.348 0.573 0.877
237 H ARG 34 H ARG 34 -1.722 2.816 -0.206
238 HA ARG 34 HA ARG 34 -3.894 4.112 -1.644
239 1HB ARG 34 2HB ARG 34 -1.653 5.533 -0.249
240 2HB ARG 34 1HB ARG 34 -2.454 6.205 -1.666
241 1HG ARG 34 2HG ARG 34 -4.494 6.161 -0.645
242 2HG ARG 34 1HG ARG 34 -3.896 5.368 0.825
243 1HD ARG 34 2HD ARG 34 -3.157 8.144 -0.167
244 2HD ARG 34 1HD ARG 34 -4.162 7.783 1.230
245 HE ARG 34 HE ARG 34 -1.583 6.587 1.472
246 1HH1 ARG 34 1HH1 ARG 34 -3.293 9.672 1.896
247 2HH1 ARG 34 2HH1 ARG 34 -2.129 10.300 2.967
248 1HH2 ARG 34 1HH2 ARG 34 -0.054 7.454 2.946
249 2HH2 ARG 34 2HH2 ARG 34 -0.270 9.025 3.614
250 H CYS 35 H CYS 35 -3.562 4.764 -3.542
251 HA CYS 35 HA CYS 35 -1.334 3.322 -4.790
252 1HB CYS 35 2HB CYS 35 -3.635 2.545 -5.289
253 2HB CYS 35 1HB CYS 35 -3.961 4.097 -6.053
254 H ARG 36 H ARG 36 0.183 4.730 -4.969
255 HA ARG 36 HA ARG 36 -0.263 7.500 -5.423
256 1HB ARG 36 2HB ARG 36 2.241 5.848 -5.294
257 2HB ARG 36 1HB ARG 36 2.270 7.563 -5.670
258 1HG ARG 36 2HG ARG 36 1.174 8.042 -3.520
259 2HG ARG 36 1HG ARG 36 1.156 6.325 -3.170
260 1HD ARG 36 2HD ARG 36 3.014 7.650 -2.093
261 2HD ARG 36 1HD ARG 36 3.505 6.212 -2.974
262 HE ARG 36 HE ARG 36 3.819 8.096 -4.832
263 1HH1 ARG 36 1HH1 ARG 36 4.878 7.973 -1.451
264 2HH1 ARG 36 2HH1 ARG 36 6.218 8.986 -1.670
265 1HH2 ARG 36 1HH2 ARG 36 5.718 9.458 -5.171
266 2HH2 ARG 36 2HH2 ARG 36 6.702 9.835 -3.838
267 H ASP 37 H ASP 37 1.110 8.633 -7.130
268 HA ASP 37 HA ASP 37 -0.055 8.015 -9.637
269 1HB ASP 37 2HB ASP 37 2.177 9.956 -9.014
270 2HB ASP 37 1HB ASP 37 1.310 9.884 -10.543
271 H ASP 38 H ASP 38 2.656 6.915 -8.148
272 HA ASP 38 HA ASP 38 4.438 6.241 -10.237
273 1HB ASP 38 2HB ASP 38 3.978 4.868 -7.581
274 2HB ASP 38 1HB ASP 38 5.409 4.731 -8.587
275 H PHE 39 H PHE 39 1.340 5.158 -9.572
276 HA PHE 39 HA PHE 39 0.030 3.412 -10.125
277 1HB PHE 39 2HB PHE 39 2.308 2.791 -12.038
278 2HB PHE 39 1HB PHE 39 0.837 1.830 -11.976
279 HD1 PHE 39 1HD PHE 39 -1.329 2.895 -12.602
280 HD2 PHE 39 2HD PHE 39 2.405 4.838 -13.204
281 HE1 PHE 39 1HE PHE 39 -2.386 4.407 -14.225
282 HE2 PHE 39 2HE PHE 39 1.345 6.359 -14.829
283 HZ PHE 39 HZ PHE 39 -1.047 6.145 -15.337
284 H ARG 40 H ARG 40 1.612 3.339 -7.909
285 HA ARG 40 HA ARG 40 1.944 0.475 -7.584
286 1HB ARG 40 2HB ARG 40 3.955 2.568 -6.753
287 2HB ARG 40 1HB ARG 40 3.899 0.968 -6.043
288 1HG ARG 40 2HG ARG 40 4.181 1.453 -8.985
289 2HG ARG 40 1HG ARG 40 5.554 1.236 -7.888
290 1HD ARG 40 2HD ARG 40 3.325 -0.771 -8.336
291 2HD ARG 40 1HD ARG 40 4.922 -0.865 -9.056
292 HE ARG 40 HE ARG 40 5.640 -0.789 -6.563
293 1HH1 ARG 40 1HH1 ARG 40 2.998 -2.753 -7.988
294 2HH1 ARG 40 2HH1 ARG 40 3.108 -3.912 -6.734
295 1HH2 ARG 40 1HH2 ARG 40 5.702 -2.452 -4.934
296 2HH2 ARG 40 2HH2 ARG 40 4.612 -3.760 -4.985
297 H CYS 41 H CYS 41 1.440 -0.341 -5.686
298 HA CYS 41 HA CYS 41 -0.362 1.202 -4.061
299 1HB CYS 41 2HB CYS 41 -0.989 -0.984 -4.802
300 2HB CYS 41 1HB CYS 41 0.447 -1.712 -4.092
301 H TRP 42 H TRP 42 0.206 2.116 -2.256
302 HA TRP 42 HA TRP 42 2.652 1.317 -0.860
303 1HB TRP 42 2HB TRP 42 1.264 3.974 -1.207
304 2HB TRP 42 1HB TRP 42 2.448 3.689 0.053
305 HD1 TRP 42 HD TRP 42 2.241 3.696 -3.828
306 HE1 TRP 42 1HE TRP 42 4.581 4.379 -4.715
307 HE3 TRP 42 3HE TRP 42 4.773 3.971 0.614
308 HZ2 TRP 42 2HZ TRP 42 7.097 4.968 -3.675
309 HZ3 TRP 42 3HZ TRP 42 7.077 4.613 0.599
310 HH2 TRP 42 HH TRP 42 8.263 5.107 -1.501
311 H CYS 43 H CYS 43 2.259 0.561 1.132
312 HA CYS 43 HA CYS 43 -0.439 0.773 2.233
313 1HB CYS 43 2HB CYS 43 1.898 -0.933 3.096
314 2HB CYS 43 1HB CYS 43 0.259 -1.015 3.725
315 H THR 44 H THR 44 -0.794 1.940 4.103
316 HA THR 44 HA THR 44 1.403 3.543 5.098
317 HB THR 44 HB THR 44 -1.504 3.574 5.969
318 HG1 THR 44 1HG THR 44 -0.375 4.943 3.695
319 1HG2 THR 44 1HG2 THR 44 -1.032 5.943 6.437
320 2HG2 THR 44 2HG2 THR 44 0.612 5.735 5.838
321 3HG2 THR 44 3HG2 THR 44 0.092 4.890 7.296
322 H ARG 45 H ARG 45 2.153 3.164 7.230
323 HA ARG 45 HA ARG 45 0.619 1.398 8.902
324 1HB ARG 45 2HB ARG 45 2.599 -0.039 9.415
325 2HB ARG 45 1HB ARG 45 1.933 -0.244 7.808
326 1HG ARG 45 2HG ARG 45 3.763 1.125 6.893
327 2HG ARG 45 1HG ARG 45 4.434 1.281 8.519
328 1HD ARG 45 2HD ARG 45 4.755 -1.099 8.669
329 2HD ARG 45 1HD ARG 45 3.933 -1.350 7.135
330 HE ARG 45 HE ARG 45 6.210 0.358 6.906
331 1HH1 ARG 45 1HH1 ARG 45 5.282 -3.038 7.179
332 2HH1 ARG 45 2HH1 ARG 45 6.552 -3.614 6.204
333 1HH2 ARG 45 1HH2 ARG 45 7.988 -0.445 5.603
334 2HH2 ARG 45 2HH2 ARG 45 8.119 -2.123 5.308
335 H ASN 46 H ASN 46 0.904 1.674 11.055
336 HA ASN 46 HA ASN 46 2.083 4.034 11.962
337 1HB ASN 46 2HB ASN 46 1.074 1.566 13.382
338 2HB ASN 46 1HB ASN 46 1.480 3.103 14.108
339 1HD2 ASN 46 1HD2 ASN 46 -0.859 1.315 12.313
340 2HD2 ASN 46 2HD2 ASN 46 -2.126 2.478 12.402
341 H CYS 47 H CYS 47 4.154 4.229 12.725
342 HA CYS 47 HA CYS 47 5.591 1.776 13.257
343 1HB CYS 47 2HB CYS 47 7.640 2.846 12.212
344 2HB CYS 47 1HB CYS 47 6.367 2.397 11.085
Start of MODEL 15
1 1H LYS 1 1HT LYS 1 6.293 11.015 9.618
2 2H LYS 1 2HT LYS 1 5.997 11.863 11.035
3 3H LYS 1 3HT LYS 1 4.783 11.694 9.851
4 HA LYS 1 HA LYS 1 5.954 9.477 11.390
5 1HB LYS 1 2HB LYS 1 3.178 10.679 11.497
6 2HB LYS 1 1HB LYS 1 3.696 9.230 12.296
7 1HG LYS 1 2HG LYS 1 5.236 10.443 13.706
8 2HG LYS 1 1HG LYS 1 4.847 11.946 12.872
9 1HD LYS 1 2HD LYS 1 3.652 11.749 15.020
10 2HD LYS 1 1HD LYS 1 2.547 11.827 13.653
11 1HE LYS 1 2HE LYS 1 1.830 10.162 15.300
12 2HE LYS 1 1HE LYS 1 2.229 9.401 13.766
13 1HZ LYS 1 1HZ LYS 1 3.034 8.217 15.716
14 2HZ LYS 1 2HZ LYS 1 4.015 9.492 16.139
15 3HZ LYS 1 3HZ LYS 1 4.317 8.616 14.721
16 H THR 2 H THR 2 4.113 7.769 11.228
17 HA THR 2 HA THR 2 3.310 6.086 10.086
18 HB THR 2 HB THR 2 1.975 6.426 8.058
19 HG1 THR 2 1HG THR 2 3.066 8.808 8.050
20 1HG2 THR 2 1HG2 THR 2 0.907 6.214 10.178
21 2HG2 THR 2 2HG2 THR 2 0.075 7.509 9.312
22 3HG2 THR 2 3HG2 THR 2 1.253 7.895 10.573
23 H CYS 3 H CYS 3 4.223 4.631 9.266
24 HA CYS 3 HA CYS 3 6.343 5.128 7.361
25 1HB CYS 3 2HB CYS 3 5.751 2.847 9.262
26 2HB CYS 3 1HB CYS 3 7.052 2.774 8.064
27 H GLU 4 H GLU 4 6.301 4.174 5.364
28 HA GLU 4 HA GLU 4 4.029 2.528 4.703
29 1HB GLU 4 2HB GLU 4 3.402 4.963 4.613
30 2HB GLU 4 1HB GLU 4 4.660 5.164 3.426
31 1HG GLU 4 2HG GLU 4 3.541 3.831 1.882
32 2HG GLU 4 1HG GLU 4 2.315 3.366 3.083
33 H ASN 5 H ASN 5 4.575 1.172 3.102
34 HA ASN 5 HA ASN 5 6.982 1.557 1.437
35 1HB ASN 5 2HB ASN 5 7.541 0.256 3.648
36 2HB ASN 5 1HB ASN 5 6.477 -0.969 2.936
37 1HD2 ASN 5 1HD2 ASN 5 8.092 -2.435 2.722
38 2HD2 ASN 5 2HD2 ASN 5 9.320 -2.272 1.513
39 H LEU 6 H LEU 6 7.031 -0.209 -0.176
40 HA LEU 6 HA LEU 6 4.606 -0.150 -1.516
41 1HB LEU 6 2HB LEU 6 7.201 -1.539 -1.875
42 2HB LEU 6 1HB LEU 6 5.873 -1.637 -3.000
43 HG LEU 6 HG LEU 6 7.379 0.883 -2.267
44 1HD1 LEU 6 1HD1 LEU 6 7.389 -0.745 -4.806
45 2HD1 LEU 6 2HD1 LEU 6 8.700 -0.674 -3.631
46 3HD1 LEU 6 3HD1 LEU 6 8.253 0.767 -4.541
47 1HD2 LEU 6 1HD2 LEU 6 6.129 1.871 -4.144
48 2HD2 LEU 6 2HD2 LEU 6 5.086 1.378 -2.817
49 3HD2 LEU 6 3HD2 LEU 6 5.192 0.380 -4.269
50 H ALA 7 H ALA 7 3.174 -1.755 -1.892
51 HA ALA 7 HA ALA 7 2.935 -3.925 -0.102
52 1HB ALA 7 1HB ALA 7 1.005 -2.886 -1.168
53 2HB ALA 7 2HB ALA 7 1.103 -4.593 -1.613
54 3HB ALA 7 3HB ALA 7 1.618 -3.349 -2.753
55 H ASN 8 H ASN 8 4.054 -5.739 -0.196
56 HA ASN 8 HA ASN 8 5.876 -6.042 -2.394
57 1HB ASN 8 2HB ASN 8 6.943 -7.900 -1.135
58 2HB ASN 8 1HB ASN 8 6.843 -6.410 -0.222
59 1HD2 ASN 8 1HD2 ASN 8 7.120 -7.501 1.704
60 2HD2 ASN 8 2HD2 ASN 8 5.907 -8.487 2.422
61 H THR 9 H THR 9 2.886 -7.427 -1.594
62 HA THR 9 HA THR 9 3.429 -9.360 -3.700
63 HB THR 9 HB THR 9 3.002 -10.572 -1.707
64 HG1 THR 9 1HG THR 9 0.725 -10.756 -3.370
65 1HG2 THR 9 1HG2 THR 9 1.796 -8.962 -0.377
66 2HG2 THR 9 2HG2 THR 9 0.900 -10.476 -0.439
67 3HG2 THR 9 3HG2 THR 9 0.383 -9.108 -1.413
68 H TYR 10 H TYR 10 2.366 -6.531 -3.733
69 HA TYR 10 HA TYR 10 -0.049 -7.068 -5.329
70 1HB TYR 10 2HB TYR 10 -0.121 -5.193 -3.669
71 2HB TYR 10 1HB TYR 10 1.160 -4.388 -4.574
72 HD1 TYR 10 1HD TYR 10 -2.372 -4.829 -4.191
73 HD2 TYR 10 2HD TYR 10 0.597 -3.718 -7.033
74 HE1 TYR 10 1HE TYR 10 -4.092 -3.714 -5.553
75 HE2 TYR 10 2HE TYR 10 -1.115 -2.607 -8.395
76 HH TYR 10 HH TYR 10 -3.584 -2.783 -8.731
77 H ARG 11 H ARG 11 0.632 -7.750 -7.222
78 HA ARG 11 HA ARG 11 2.921 -6.389 -8.421
79 1HB ARG 11 2HB ARG 11 3.093 -8.837 -8.170
80 2HB ARG 11 1HB ARG 11 1.671 -9.028 -9.183
81 1HG ARG 11 2HG ARG 11 3.710 -9.452 -10.435
82 2HG ARG 11 1HG ARG 11 2.859 -8.042 -11.068
83 1HD ARG 11 2HD ARG 11 4.386 -6.568 -9.854
84 2HD ARG 11 1HD ARG 11 5.229 -7.966 -9.189
85 HE ARG 11 HE ARG 11 5.338 -8.325 -11.869
86 1HH1 ARG 11 1HH1 ARG 11 6.192 -5.545 -9.839
87 2HH1 ARG 11 2HH1 ARG 11 7.566 -5.113 -10.740
88 1HH2 ARG 11 1HH2 ARG 11 7.217 -7.712 -13.130
89 2HH2 ARG 11 2HH2 ARG 11 8.149 -6.365 -12.684
90 H GLY 12 H GLY 12 2.615 -5.063 -10.074
91 1HA GLY 12 2HA GLY 12 1.521 -4.952 -12.295
92 2HA GLY 12 1HA GLY 12 0.019 -5.153 -11.406
93 HA PRO 13 HA PRO 13 1.426 -0.551 -11.531
94 1HB PRO 13 2HB PRO 13 -0.515 -0.445 -13.786
95 2HB PRO 13 1HB PRO 13 1.012 0.427 -13.589
96 1HG PRO 13 2HG PRO 13 0.851 -1.589 -15.307
97 2HG PRO 13 1HG PRO 13 2.283 -1.387 -14.280
98 1HD PRO 13 2HD PRO 13 -0.012 -3.295 -13.954
99 2HD PRO 13 1HD PRO 13 1.730 -3.569 -13.743
100 H CYS 14 H CYS 14 0.224 0.563 -10.192
101 HA CYS 14 HA CYS 14 -2.480 -0.335 -9.595
102 1HB CYS 14 2HB CYS 14 -0.897 -0.519 -7.774
103 2HB CYS 14 1HB CYS 14 -0.374 1.138 -8.013
104 H PHE 15 H PHE 15 -4.052 1.247 -9.251
105 HA PHE 15 HA PHE 15 -3.452 3.934 -10.250
106 1HB PHE 15 2HB PHE 15 -5.819 2.256 -11.085
107 2HB PHE 15 1HB PHE 15 -5.618 3.958 -11.471
108 HD1 PHE 15 1HD PHE 15 -5.000 0.625 -12.525
109 HD2 PHE 15 2HD PHE 15 -3.507 4.595 -12.783
110 HE1 PHE 15 1HE PHE 15 -3.747 0.020 -14.550
111 HE2 PHE 15 2HE PHE 15 -2.255 4.002 -14.812
112 HZ PHE 15 HZ PHE 15 -2.371 1.715 -15.699
113 H THR 16 H THR 16 -5.597 1.899 -8.259
114 HA THR 16 HA THR 16 -6.766 4.365 -7.211
115 HB THR 16 HB THR 16 -7.987 1.598 -7.339
116 HG1 THR 16 1HG THR 16 -8.158 3.945 -8.869
117 1HG2 THR 16 1HG2 THR 16 -8.828 2.929 -5.442
118 2HG2 THR 16 2HG2 THR 16 -10.058 2.718 -6.694
119 3HG2 THR 16 3HG2 THR 16 -9.200 4.256 -6.548
120 H THR 17 H THR 17 -6.815 4.766 -5.054
121 HA THR 17 HA THR 17 -4.997 3.533 -3.339
122 HB THR 17 HB THR 17 -7.179 5.557 -2.940
123 HG1 THR 17 1HG THR 17 -5.657 6.528 -3.949
124 1HG2 THR 17 1HG2 THR 17 -5.142 4.668 -0.866
125 2HG2 THR 17 2HG2 THR 17 -6.884 4.471 -0.765
126 3HG2 THR 17 3HG2 THR 17 -6.180 6.084 -0.730
127 H GLY 18 H GLY 18 -8.552 3.320 -3.505
128 1HA GLY 18 2HA GLY 18 -8.932 1.844 -1.172
129 2HA GLY 18 1HA GLY 18 -10.029 1.883 -2.538
130 H SER 19 H SER 19 -8.146 0.699 -4.451
131 HA SER 19 HA SER 19 -8.655 -2.017 -3.828
132 1HB SER 19 2HB SER 19 -7.316 -2.258 -6.058
133 2HB SER 19 1HB SER 19 -8.900 -1.481 -6.096
134 HG SER 19 HG SER 19 -6.680 -0.464 -6.948
135 H CYS 20 H CYS 20 -5.943 0.126 -3.751
136 HA CYS 20 HA CYS 20 -3.918 -1.781 -3.195
137 1HB CYS 20 2HB CYS 20 -3.355 0.544 -3.937
138 2HB CYS 20 1HB CYS 20 -4.149 1.149 -2.528
139 H ASP 21 H ASP 21 -5.922 0.339 -1.214
140 HA ASP 21 HA ASP 21 -5.003 -0.285 1.331
141 1HB ASP 21 2HB ASP 21 -6.379 1.605 0.864
142 2HB ASP 21 1HB ASP 21 -7.745 0.578 0.396
143 H ASP 22 H ASP 22 -7.729 -1.637 -0.435
144 HA ASP 22 HA ASP 22 -8.650 -3.623 1.230
145 1HB ASP 22 2HB ASP 22 -9.724 -3.137 -0.855
146 2HB ASP 22 1HB ASP 22 -8.282 -3.556 -1.762
147 H HIS 23 H HIS 23 -5.996 -3.783 -1.055
148 HA HIS 23 HA HIS 23 -5.255 -6.469 -0.571
149 1HB HIS 23 2HB HIS 23 -4.592 -5.474 -2.652
150 2HB HIS 23 1HB HIS 23 -3.802 -4.140 -1.826
151 HD1 HIS 23 1HD HIS 23 -3.271 -7.744 -2.806
152 HD2 HIS 23 2HD HIS 23 -1.217 -4.630 -0.968
153 HE1 HIS 23 1HE HIS 23 -0.871 -8.483 -2.663
154 HE2 HIS 23 2HE HIS 23 0.255 -6.664 -1.291
155 H CYS 24 H CYS 24 -3.948 -3.401 0.654
156 HA CYS 24 HA CYS 24 -1.882 -4.577 2.151
157 1HB CYS 24 2HB CYS 24 -3.219 -1.894 2.426
158 2HB CYS 24 1HB CYS 24 -1.763 -2.372 3.298
159 H LYS 25 H LYS 25 -5.279 -3.907 3.012
160 HA LYS 25 HA LYS 25 -4.859 -4.456 5.723
161 1HB LYS 25 2HB LYS 25 -7.158 -4.053 3.893
162 2HB LYS 25 1HB LYS 25 -7.413 -4.621 5.524
163 1HG LYS 25 2HG LYS 25 -6.430 -2.611 6.425
164 2HG LYS 25 1HG LYS 25 -5.942 -2.091 4.812
165 1HD LYS 25 2HD LYS 25 -8.257 -1.860 4.151
166 2HD LYS 25 1HD LYS 25 -8.794 -2.488 5.712
167 1HE LYS 25 2HE LYS 25 -7.978 -0.579 6.855
168 2HE LYS 25 1HE LYS 25 -7.084 -0.028 5.442
169 1HZ LYS 25 1HZ LYS 25 -9.083 0.382 4.317
170 2HZ LYS 25 2HZ LYS 25 -9.101 1.234 5.776
171 3HZ LYS 25 3HZ LYS 25 -10.051 -0.172 5.594
172 H ASN 26 H ASN 26 -6.470 -6.238 3.045
173 HA ASN 26 HA ASN 26 -6.977 -8.440 4.727
174 1HB ASN 26 2HB ASN 26 -8.550 -8.033 3.026
175 2HB ASN 26 1HB ASN 26 -7.311 -7.996 1.778
176 1HD2 ASN 26 1HD2 ASN 26 -6.672 -9.877 0.823
177 2HD2 ASN 26 2HD2 ASN 26 -7.351 -11.401 1.204
178 H LYS 27 H LYS 27 -4.495 -7.847 2.292
179 HA LYS 27 HA LYS 27 -3.603 -10.599 2.667
180 1HB LYS 27 2HB LYS 27 -3.891 -9.764 0.379
181 2HB LYS 27 1HB LYS 27 -2.665 -8.544 0.669
182 1HG LYS 27 2HG LYS 27 -1.674 -10.329 -0.571
183 2HG LYS 27 1HG LYS 27 -1.030 -10.376 1.069
184 1HD LYS 27 2HD LYS 27 -2.600 -12.178 1.638
185 2HD LYS 27 1HD LYS 27 -3.251 -12.123 -0.001
186 1HE LYS 27 2HE LYS 27 -1.006 -12.683 -0.867
187 2HE LYS 27 1HE LYS 27 -0.427 -12.817 0.789
188 1HZ LYS 27 1HZ LYS 27 -0.961 -14.976 -0.108
189 2HZ LYS 27 2HZ LYS 27 -2.539 -14.509 -0.450
190 3HZ LYS 27 3HZ LYS 27 -2.022 -14.630 1.144
191 H GLU 28 H GLU 28 -2.293 -7.277 2.871
192 HA GLU 28 HA GLU 28 0.098 -8.507 3.931
193 1HB GLU 28 2HB GLU 28 -0.258 -5.653 3.012
194 2HB GLU 28 1HB GLU 28 1.267 -6.371 3.540
195 1HG GLU 28 2HG GLU 28 0.749 -8.178 1.761
196 2HG GLU 28 1HG GLU 28 -0.369 -7.015 1.122
197 H HIS 29 H HIS 29 -2.612 -7.274 5.112
198 HA HIS 29 HA HIS 29 -3.405 -6.900 7.144
199 1HB HIS 29 2HB HIS 29 -0.961 -8.474 7.917
200 2HB HIS 29 1HB HIS 29 -2.247 -8.058 9.050
201 HD1 HIS 29 1HD HIS 29 -1.324 -10.536 6.501
202 HD2 HIS 29 2HD HIS 29 -4.796 -9.203 8.331
203 HE1 HIS 29 1HE HIS 29 -3.042 -12.269 5.995
204 HE2 HIS 29 2HE HIS 29 -5.194 -11.271 6.880
205 H LEU 30 H LEU 30 -1.893 -4.785 6.108
206 HA LEU 30 HA LEU 30 -0.794 -3.635 8.548
207 1HB LEU 30 2HB LEU 30 -0.473 -2.706 5.696
208 2HB LEU 30 1HB LEU 30 0.143 -1.844 7.084
209 HG LEU 30 HG LEU 30 1.032 -4.591 6.186
210 1HD1 LEU 30 1HD1 LEU 30 1.922 -2.858 4.788
211 2HD1 LEU 30 2HD1 LEU 30 3.189 -3.504 5.825
212 3HD1 LEU 30 3HD1 LEU 30 2.455 -1.944 6.197
213 1HD2 LEU 30 1HD2 LEU 30 1.077 -4.484 8.603
214 2HD2 LEU 30 2HD2 LEU 30 1.924 -2.939 8.540
215 3HD2 LEU 30 3HD2 LEU 30 2.718 -4.401 7.963
216 H ARG 31 H ARG 31 -1.187 -0.946 8.065
217 HA ARG 31 HA ARG 31 -3.771 -0.886 9.230
218 1HB ARG 31 2HB ARG 31 -1.738 0.653 9.666
219 2HB ARG 31 1HB ARG 31 -2.308 1.592 8.364
220 1HG ARG 31 2HG ARG 31 -4.623 1.610 9.398
221 2HG ARG 31 1HG ARG 31 -3.856 0.981 10.854
222 1HD ARG 31 2HD ARG 31 -2.352 2.984 10.807
223 2HD ARG 31 1HD ARG 31 -3.343 3.578 9.473
224 HE ARG 31 HE ARG 31 -4.806 2.859 11.834
225 1HH1 ARG 31 1HH1 ARG 31 -3.213 5.486 10.073
226 2HH1 ARG 31 2HH1 ARG 31 -4.032 6.737 10.863
227 1HH2 ARG 31 1HH2 ARG 31 -5.923 4.572 12.977
228 2HH2 ARG 31 2HH2 ARG 31 -5.667 6.192 12.576
229 H SER 32 H SER 32 -2.488 0.619 6.309
230 HA SER 32 HA SER 32 -5.049 0.427 4.948
231 1HB SER 32 2HB SER 32 -3.668 3.099 5.220
232 2HB SER 32 1HB SER 32 -5.248 2.749 4.556
233 HG SER 32 HG SER 32 -5.608 1.888 6.840
234 H GLY 33 H GLY 33 -4.622 1.539 2.777
235 1HA GLY 33 2HA GLY 33 -1.835 1.305 1.988
236 2HA GLY 33 1HA GLY 33 -3.022 0.330 1.129
237 H ARG 34 H ARG 34 -1.359 2.384 0.110
238 HA ARG 34 HA ARG 34 -3.429 4.045 -1.100
239 1HB ARG 34 2HB ARG 34 -0.908 5.119 0.110
240 2HB ARG 34 1HB ARG 34 -1.755 5.930 -1.193
241 1HG ARG 34 2HG ARG 34 -3.697 5.968 0.120
242 2HG ARG 34 1HG ARG 34 -2.825 5.345 1.548
243 1HD ARG 34 2HD ARG 34 -2.415 7.949 0.050
244 2HD ARG 34 1HD ARG 34 -2.847 7.748 1.744
245 HE ARG 34 HE ARG 34 -0.400 6.550 1.552
246 1HH1 ARG 34 1HH1 ARG 34 -1.615 9.800 0.692
247 2HH1 ARG 34 2HH1 ARG 34 -0.126 10.555 1.014
248 1HH2 ARG 34 1HH2 ARG 34 1.638 7.631 1.881
249 2HH2 ARG 34 2HH2 ARG 34 1.734 9.332 1.698
250 H CYS 35 H CYS 35 -3.161 4.690 -2.931
251 HA CYS 35 HA CYS 35 -1.067 3.241 -4.368
252 1HB CYS 35 2HB CYS 35 -3.450 2.740 -4.912
253 2HB CYS 35 1HB CYS 35 -3.594 4.393 -5.506
254 H ARG 36 H ARG 36 0.493 4.602 -4.252
255 HA ARG 36 HA ARG 36 -0.010 7.418 -4.393
256 1HB ARG 36 2HB ARG 36 2.477 5.843 -3.824
257 2HB ARG 36 1HB ARG 36 2.439 7.601 -3.893
258 1HG ARG 36 2HG ARG 36 0.828 7.672 -2.082
259 2HG ARG 36 1HG ARG 36 0.753 5.920 -2.052
260 1HD ARG 36 2HD ARG 36 2.168 6.911 -0.260
261 2HD ARG 36 1HD ARG 36 2.999 5.753 -1.290
262 HE ARG 36 HE ARG 36 3.520 8.165 -2.424
263 1HH1 ARG 36 1HH1 ARG 36 3.909 6.948 0.889
264 2HH1 ARG 36 2HH1 ARG 36 5.391 7.739 1.130
265 1HH2 ARG 36 1HH2 ARG 36 5.497 9.238 -2.081
266 2HH2 ARG 36 2HH2 ARG 36 6.345 9.086 -0.600
267 H ASP 37 H ASP 37 1.943 8.631 -5.509
268 HA ASP 37 HA ASP 37 1.233 8.481 -8.251
269 1HB ASP 37 2HB ASP 37 3.208 10.255 -6.809
270 2HB ASP 37 1HB ASP 37 2.748 10.454 -8.497
271 H ASP 38 H ASP 38 3.148 6.489 -6.845
272 HA ASP 38 HA ASP 38 5.343 6.339 -8.781
273 1HB ASP 38 2HB ASP 38 4.538 4.401 -6.584
274 2HB ASP 38 1HB ASP 38 6.022 4.335 -7.510
275 H PHE 39 H PHE 39 2.107 5.544 -8.576
276 HA PHE 39 HA PHE 39 0.647 4.138 -9.541
277 1HB PHE 39 2HB PHE 39 2.963 3.517 -11.432
278 2HB PHE 39 1HB PHE 39 1.356 2.844 -11.621
279 HD1 PHE 39 1HD PHE 39 -0.500 4.206 -12.342
280 HD2 PHE 39 2HD PHE 39 3.387 5.867 -11.889
281 HE1 PHE 39 1HE PHE 39 -1.203 6.183 -13.626
282 HE2 PHE 39 2HE PHE 39 2.692 7.848 -13.169
283 HZ PHE 39 HZ PHE 39 0.395 8.007 -14.039
284 H ARG 40 H ARG 40 2.162 3.459 -7.337
285 HA ARG 40 HA ARG 40 2.057 0.558 -7.479
286 1HB ARG 40 2HB ARG 40 4.230 2.219 -6.198
287 2HB ARG 40 1HB ARG 40 3.959 0.514 -5.868
288 1HG ARG 40 2HG ARG 40 4.480 1.577 -8.615
289 2HG ARG 40 1HG ARG 40 5.756 1.006 -7.527
290 1HD ARG 40 2HD ARG 40 3.382 -0.649 -8.407
291 2HD ARG 40 1HD ARG 40 4.977 -0.728 -9.149
292 HE ARG 40 HE ARG 40 5.684 -1.220 -6.713
293 1HH1 ARG 40 1HH1 ARG 40 2.746 -2.533 -8.315
294 2HH1 ARG 40 2HH1 ARG 40 2.810 -3.963 -7.383
295 1HH2 ARG 40 1HH2 ARG 40 5.678 -3.268 -5.532
296 2HH2 ARG 40 2HH2 ARG 40 4.479 -4.411 -5.851
297 H CYS 41 H CYS 41 1.540 -0.443 -5.593
298 HA CYS 41 HA CYS 41 -0.192 1.051 -3.865
299 1HB CYS 41 2HB CYS 41 -0.921 -1.009 -4.788
300 2HB CYS 41 1HB CYS 41 0.476 -1.885 -4.165
301 H TRP 42 H TRP 42 0.397 1.715 -1.965
302 HA TRP 42 HA TRP 42 2.860 0.741 -0.712
303 1HB TRP 42 2HB TRP 42 1.453 3.409 -0.616
304 2HB TRP 42 1HB TRP 42 2.715 2.926 0.491
305 HD1 TRP 42 HD TRP 42 2.262 3.622 -3.319
306 HE1 TRP 42 1HE TRP 42 4.522 4.610 -4.175
307 HE3 TRP 42 3HE TRP 42 5.077 3.193 0.926
308 HZ2 TRP 42 2HZ TRP 42 7.058 5.093 -3.214
309 HZ3 TRP 42 3HZ TRP 42 7.377 3.942 0.890
310 HH2 TRP 42 HH TRP 42 8.379 4.875 -1.136
311 H CYS 43 H CYS 43 2.568 -0.023 1.323
312 HA CYS 43 HA CYS 43 -0.123 0.117 2.491
313 1HB CYS 43 2HB CYS 43 2.125 -1.837 3.006
314 2HB CYS 43 1HB CYS 43 0.511 -1.898 3.717
315 H THR 44 H THR 44 -0.264 0.905 4.737
316 HA THR 44 HA THR 44 2.250 2.089 5.576
317 HB THR 44 HB THR 44 0.746 3.755 4.579
318 HG1 THR 44 1HG THR 44 2.096 4.132 6.558
319 1HG2 THR 44 1HG2 THR 44 -1.360 4.386 5.714
320 2HG2 THR 44 2HG2 THR 44 -1.161 3.013 6.801
321 3HG2 THR 44 3HG2 THR 44 -1.413 2.740 5.078
322 H ARG 45 H ARG 45 2.509 2.307 7.810
323 HA ARG 45 HA ARG 45 0.573 1.153 9.611
324 1HB ARG 45 2HB ARG 45 2.292 -0.233 10.713
325 2HB ARG 45 1HB ARG 45 2.071 -0.736 9.047
326 1HG ARG 45 2HG ARG 45 4.103 0.621 8.471
327 2HG ARG 45 1HG ARG 45 4.351 0.854 10.201
328 1HD ARG 45 2HD ARG 45 4.407 -1.637 10.455
329 2HD ARG 45 1HD ARG 45 4.351 -1.767 8.695
330 HE ARG 45 HE ARG 45 6.426 -0.144 9.892
331 1HH1 ARG 45 1HH1 ARG 45 5.655 -3.192 8.192
332 2HH1 ARG 45 2HH1 ARG 45 7.272 -3.606 7.932
333 1HH2 ARG 45 1HH2 ARG 45 8.650 -0.733 9.520
334 2HH2 ARG 45 2HH2 ARG 45 9.024 -2.196 8.727
335 H ASN 46 H ASN 46 0.686 2.168 11.666
336 HA ASN 46 HA ASN 46 1.706 4.752 11.650
337 1HB ASN 46 2HB ASN 46 0.201 3.059 13.434
338 2HB ASN 46 1HB ASN 46 1.226 4.198 14.263
339 1HD2 ASN 46 1HD2 ASN 46 -1.484 3.786 12.192
340 2HD2 ASN 46 2HD2 ASN 46 -2.029 5.433 12.243
341 H CYS 47 H CYS 47 3.326 5.755 12.657
342 HA CYS 47 HA CYS 47 5.040 4.569 14.502
343 1HB CYS 47 2HB CYS 47 7.113 4.568 13.126
344 2HB CYS 47 1HB CYS 47 5.927 3.521 12.390
Start of MODEL 16
1 1H LYS 1 1HT LYS 1 4.364 8.093 14.002
2 2H LYS 1 2HT LYS 1 2.734 8.337 14.197
3 3H LYS 1 3HT LYS 1 3.807 9.465 14.853
4 HA LYS 1 HA LYS 1 2.851 10.347 12.817
5 1HB LYS 1 2HB LYS 1 5.517 9.150 11.984
6 2HB LYS 1 1HB LYS 1 4.762 10.571 11.334
7 1HG LYS 1 2HG LYS 1 6.577 11.353 12.621
8 2HG LYS 1 1HG LYS 1 5.147 11.682 13.594
9 1HD LYS 1 2HD LYS 1 5.598 9.731 14.958
10 2HD LYS 1 1HD LYS 1 6.951 9.288 13.920
11 1HE LYS 1 2HE LYS 1 8.120 11.330 14.577
12 2HE LYS 1 1HE LYS 1 6.751 11.791 15.589
13 1HZ LYS 1 1HZ LYS 1 7.126 9.847 16.948
14 2HZ LYS 1 2HZ LYS 1 8.544 10.737 16.873
15 3HZ LYS 1 3HZ LYS 1 8.374 9.334 15.957
16 H THR 2 H THR 2 3.108 9.821 10.267
17 HA THR 2 HA THR 2 2.405 7.011 9.960
18 HB THR 2 HB THR 2 1.160 7.797 7.904
19 HG1 THR 2 1HG THR 2 1.899 9.981 7.901
20 1HG2 THR 2 1HG2 THR 2 -0.007 6.935 9.863
21 2HG2 THR 2 2HG2 THR 2 -0.907 8.297 9.201
22 3HG2 THR 2 3HG2 THR 2 0.084 8.513 10.641
23 H CYS 3 H CYS 3 3.478 5.890 8.535
24 HA CYS 3 HA CYS 3 5.366 7.254 6.750
25 1HB CYS 3 2HB CYS 3 5.754 4.707 8.369
26 2HB CYS 3 1HB CYS 3 6.865 5.261 7.124
27 H GLU 4 H GLU 4 5.572 6.189 4.666
28 HA GLU 4 HA GLU 4 3.507 4.163 4.227
29 1HB GLU 4 2HB GLU 4 2.859 6.533 3.590
30 2HB GLU 4 1HB GLU 4 4.158 6.455 2.437
31 1HG GLU 4 2HG GLU 4 3.094 4.802 1.181
32 2HG GLU 4 1HG GLU 4 1.866 4.561 2.432
33 H ASN 5 H ASN 5 4.102 2.547 2.904
34 HA ASN 5 HA ASN 5 6.566 2.767 1.370
35 1HB ASN 5 2HB ASN 5 6.081 0.673 3.499
36 2HB ASN 5 1HB ASN 5 7.293 0.531 2.232
37 1HD2 ASN 5 1HD2 ASN 5 9.037 1.902 2.266
38 2HD2 ASN 5 2HD2 ASN 5 9.576 2.695 3.693
39 H LEU 6 H LEU 6 6.805 1.142 -0.180
40 HA LEU 6 HA LEU 6 4.601 0.653 -1.697
41 1HB LEU 6 2HB LEU 6 7.299 -0.457 -1.393
42 2HB LEU 6 1HB LEU 6 6.203 -1.125 -2.570
43 HG LEU 6 HG LEU 6 7.113 1.768 -2.530
44 1HD1 LEU 6 1HD1 LEU 6 8.082 -0.551 -4.209
45 2HD1 LEU 6 2HD1 LEU 6 9.003 0.245 -2.933
46 3HD1 LEU 6 3HD1 LEU 6 8.572 1.133 -4.396
47 1HD2 LEU 6 1HD2 LEU 6 6.255 1.765 -4.824
48 2HD2 LEU 6 2HD2 LEU 6 4.986 1.398 -3.660
49 3HD2 LEU 6 3HD2 LEU 6 5.706 0.102 -4.615
50 H ALA 7 H ALA 7 3.188 -1.034 -1.799
51 HA ALA 7 HA ALA 7 3.275 -3.058 0.216
52 1HB ALA 7 1HB ALA 7 1.131 -2.239 -0.607
53 2HB ALA 7 2HB ALA 7 1.321 -3.951 -0.992
54 3HB ALA 7 3HB ALA 7 1.566 -2.727 -2.243
55 H ASN 8 H ASN 8 5.099 -4.152 -0.070
56 HA ASN 8 HA ASN 8 6.138 -4.820 -2.623
57 1HB ASN 8 2HB ASN 8 7.893 -6.039 -1.425
58 2HB ASN 8 1HB ASN 8 7.635 -4.444 -0.729
59 1HD2 ASN 8 1HD2 ASN 8 7.441 -7.852 -0.229
60 2HD2 ASN 8 2HD2 ASN 8 7.069 -7.788 1.449
61 H THR 9 H THR 9 3.724 -6.245 -0.731
62 HA THR 9 HA THR 9 4.186 -8.823 -2.002
63 HB THR 9 HB THR 9 2.006 -8.139 0.005
64 HG1 THR 9 1HG THR 9 4.439 -7.803 0.483
65 1HG2 THR 9 1HG2 THR 9 1.817 -10.313 -1.183
66 2HG2 THR 9 2HG2 THR 9 2.137 -10.539 0.537
67 3HG2 THR 9 3HG2 THR 9 3.439 -10.735 -0.639
68 H TYR 10 H TYR 10 3.010 -6.093 -2.886
69 HA TYR 10 HA TYR 10 0.676 -7.173 -4.351
70 1HB TYR 10 2HB TYR 10 0.218 -5.187 -2.852
71 2HB TYR 10 1HB TYR 10 1.342 -4.259 -3.831
72 HD1 TYR 10 1HD TYR 10 -2.041 -5.306 -3.415
73 HD2 TYR 10 2HD TYR 10 0.717 -3.934 -6.333
74 HE1 TYR 10 1HE TYR 10 -3.912 -4.634 -4.853
75 HE2 TYR 10 2HE TYR 10 -1.153 -3.251 -7.791
76 HH TYR 10 HH TYR 10 -3.524 -3.844 -8.113
77 H ARG 11 H ARG 11 1.317 -7.725 -6.285
78 HA ARG 11 HA ARG 11 3.195 -5.960 -7.652
79 1HB ARG 11 2HB ARG 11 4.274 -8.069 -7.043
80 2HB ARG 11 1HB ARG 11 2.991 -8.968 -7.820
81 1HG ARG 11 2HG ARG 11 3.689 -8.253 -9.977
82 2HG ARG 11 1HG ARG 11 4.823 -7.089 -9.286
83 1HD ARG 11 2HD ARG 11 5.985 -9.096 -10.049
84 2HD ARG 11 1HD ARG 11 6.108 -8.900 -8.307
85 HE ARG 11 HE ARG 11 3.981 -10.616 -9.287
86 1HH1 ARG 11 1HH1 ARG 11 7.229 -10.416 -7.857
87 2HH1 ARG 11 2HH1 ARG 11 7.272 -12.045 -7.371
88 1HH2 ARG 11 1HH2 ARG 11 4.052 -12.878 -8.590
89 2HH2 ARG 11 2HH2 ARG 11 5.413 -13.463 -7.763
90 H GLY 12 H GLY 12 2.544 -5.216 -9.535
91 1HA GLY 12 2HA GLY 12 1.287 -5.868 -11.614
92 2HA GLY 12 1HA GLY 12 -0.058 -6.140 -10.504
93 HA PRO 13 HA PRO 13 0.419 -1.531 -11.703
94 1HB PRO 13 2HB PRO 13 -1.898 -1.954 -13.482
95 2HB PRO 13 1HB PRO 13 -0.382 -1.111 -13.815
96 1HG PRO 13 2HG PRO 13 -0.915 -3.473 -14.940
97 2HG PRO 13 1HG PRO 13 0.722 -3.046 -14.403
98 1HD PRO 13 2HD PRO 13 -1.322 -4.763 -13.030
99 2HD PRO 13 1HD PRO 13 0.415 -5.056 -13.266
100 H CYS 14 H CYS 14 -0.463 -0.564 -10.070
101 HA CYS 14 HA CYS 14 -2.897 -1.408 -8.849
102 1HB CYS 14 2HB CYS 14 -1.067 -0.517 -7.511
103 2HB CYS 14 1HB CYS 14 -1.143 1.007 -8.383
104 H PHE 15 H PHE 15 -4.830 -0.803 -9.470
105 HA PHE 15 HA PHE 15 -5.045 1.431 -11.311
106 1HB PHE 15 2HB PHE 15 -7.048 -0.722 -10.636
107 2HB PHE 15 1HB PHE 15 -7.315 0.568 -11.802
108 HD1 PHE 15 1HD PHE 15 -6.027 -2.712 -11.290
109 HD2 PHE 15 2HD PHE 15 -5.687 0.733 -13.765
110 HE1 PHE 15 1HE PHE 15 -4.959 -4.074 -13.034
111 HE2 PHE 15 2HE PHE 15 -4.620 -0.624 -15.515
112 HZ PHE 15 HZ PHE 15 -4.253 -3.032 -15.149
113 H THR 16 H THR 16 -6.363 0.362 -8.181
114 HA THR 16 HA THR 16 -7.382 3.074 -7.801
115 HB THR 16 HB THR 16 -9.332 2.037 -6.607
116 HG1 THR 16 1HG THR 16 -9.527 -0.252 -7.789
117 1HG2 THR 16 1HG2 THR 16 -9.108 1.370 -9.548
118 2HG2 THR 16 2HG2 THR 16 -9.564 2.937 -8.890
119 3HG2 THR 16 3HG2 THR 16 -10.617 1.542 -8.645
120 H THR 17 H THR 17 -7.466 3.737 -5.623
121 HA THR 17 HA THR 17 -5.626 2.694 -3.808
122 HB THR 17 HB THR 17 -7.926 4.623 -3.576
123 HG1 THR 17 1HG THR 17 -6.462 5.990 -4.134
124 1HG2 THR 17 1HG2 THR 17 -7.033 5.293 -1.336
125 2HG2 THR 17 2HG2 THR 17 -5.969 3.880 -1.366
126 3HG2 THR 17 3HG2 THR 17 -7.711 3.670 -1.344
127 H GLY 18 H GLY 18 -9.004 1.995 -4.364
128 1HA GLY 18 2HA GLY 18 -9.550 0.585 -1.986
129 2HA GLY 18 1HA GLY 18 -10.387 0.372 -3.516
130 H SER 19 H SER 19 -7.927 -0.429 -4.945
131 HA SER 19 HA SER 19 -8.000 -3.236 -4.321
132 1HB SER 19 2HB SER 19 -7.842 -2.409 -6.665
133 2HB SER 19 1HB SER 19 -6.286 -1.677 -6.300
134 HG SER 19 HG SER 19 -5.359 -3.526 -6.576
135 H CYS 20 H CYS 20 -6.068 -0.538 -3.580
136 HA CYS 20 HA CYS 20 -3.745 -2.045 -2.802
137 1HB CYS 20 2HB CYS 20 -3.514 0.166 -3.888
138 2HB CYS 20 1HB CYS 20 -4.403 0.885 -2.577
139 H ASP 21 H ASP 21 -6.171 0.027 -1.209
140 HA ASP 21 HA ASP 21 -5.308 -0.196 1.424
141 1HB ASP 21 2HB ASP 21 -6.894 1.462 0.799
142 2HB ASP 21 1HB ASP 21 -8.074 0.249 0.292
143 H ASP 22 H ASP 22 -7.658 -2.163 -0.327
144 HA ASP 22 HA ASP 22 -8.362 -3.889 1.748
145 1HB ASP 22 2HB ASP 22 -9.601 -3.889 -0.325
146 2HB ASP 22 1HB ASP 22 -8.178 -4.420 -1.217
147 H HIS 23 H HIS 23 -5.814 -4.156 -0.660
148 HA HIS 23 HA HIS 23 -4.744 -6.611 0.163
149 1HB HIS 23 2HB HIS 23 -4.083 -5.781 -1.971
150 2HB HIS 23 1HB HIS 23 -3.521 -4.262 -1.291
151 HD1 HIS 23 1HD HIS 23 -2.503 -7.872 -1.673
152 HD2 HIS 23 2HD HIS 23 -0.931 -4.275 -0.319
153 HE1 HIS 23 1HE HIS 23 -0.074 -8.306 -1.250
154 HE2 HIS 23 2HE HIS 23 0.793 -6.133 -0.228
155 H CYS 24 H CYS 24 -3.822 -3.323 1.101
156 HA CYS 24 HA CYS 24 -1.687 -4.116 2.733
157 1HB CYS 24 2HB CYS 24 -3.310 -1.575 2.714
158 2HB CYS 24 1HB CYS 24 -1.832 -1.775 3.645
159 H LYS 25 H LYS 25 -5.159 -3.818 3.490
160 HA LYS 25 HA LYS 25 -4.702 -4.137 6.265
161 1HB LYS 25 2HB LYS 25 -7.013 -4.036 4.400
162 2HB LYS 25 1HB LYS 25 -7.218 -4.470 6.078
163 1HG LYS 25 2HG LYS 25 -6.441 -2.313 6.792
164 2HG LYS 25 1HG LYS 25 -5.922 -1.912 5.152
165 1HD LYS 25 2HD LYS 25 -8.203 -1.954 4.385
166 2HD LYS 25 1HD LYS 25 -8.765 -2.451 5.981
167 1HE LYS 25 2HE LYS 25 -8.165 -0.354 6.925
168 2HE LYS 25 1HE LYS 25 -7.278 0.114 5.471
169 1HZ LYS 25 1HZ LYS 25 -9.454 1.174 5.593
170 2HZ LYS 25 2HZ LYS 25 -10.227 -0.317 5.565
171 3HZ LYS 25 3HZ LYS 25 -9.268 0.190 4.254
172 H ASN 26 H ASN 26 -6.089 -6.124 3.604
173 HA ASN 26 HA ASN 26 -6.721 -8.361 5.133
174 1HB ASN 26 2HB ASN 26 -7.761 -7.808 3.024
175 2HB ASN 26 1HB ASN 26 -6.223 -7.937 2.196
176 1HD2 ASN 26 1HD2 ASN 26 -6.924 -9.412 0.788
177 2HD2 ASN 26 2HD2 ASN 26 -7.299 -11.042 1.218
178 H LYS 27 H LYS 27 -3.949 -7.671 3.005
179 HA LYS 27 HA LYS 27 -2.876 -10.237 3.772
180 1HB LYS 27 2HB LYS 27 -2.975 -9.852 1.413
181 2HB LYS 27 1HB LYS 27 -2.082 -8.355 1.563
182 1HG LYS 27 2HG LYS 27 -0.571 -9.914 0.642
183 2HG LYS 27 1HG LYS 27 -0.108 -9.758 2.327
184 1HD LYS 27 2HD LYS 27 -1.869 -12.002 1.320
185 2HD LYS 27 1HD LYS 27 -0.119 -12.112 1.311
186 1HE LYS 27 2HE LYS 27 -0.141 -11.794 3.785
187 2HE LYS 27 1HE LYS 27 -1.900 -11.790 3.743
188 1HZ LYS 27 1HZ LYS 27 -1.084 -13.924 4.332
189 2HZ LYS 27 2HZ LYS 27 -0.151 -14.018 2.930
190 3HZ LYS 27 3HZ LYS 27 -1.839 -14.019 2.829
191 H GLU 28 H GLU 28 -1.801 -6.814 3.668
192 HA GLU 28 HA GLU 28 0.628 -7.732 4.925
193 1HB GLU 28 2HB GLU 28 0.034 -4.975 3.843
194 2HB GLU 28 1HB GLU 28 1.593 -5.500 4.479
195 1HG GLU 28 2HG GLU 28 1.372 -7.421 2.763
196 2HG GLU 28 1HG GLU 28 0.168 -6.411 2.021
197 H HIS 29 H HIS 29 -2.239 -6.469 5.883
198 HA HIS 29 HA HIS 29 -3.153 -5.988 7.830
199 1HB HIS 29 2HB HIS 29 -0.678 -7.336 8.926
200 2HB HIS 29 1HB HIS 29 -2.038 -6.867 9.938
201 HD1 HIS 29 1HD HIS 29 -0.824 -9.549 7.778
202 HD2 HIS 29 2HD HIS 29 -4.488 -8.297 9.248
203 HE1 HIS 29 1HE HIS 29 -2.372 -11.482 7.436
204 HE2 HIS 29 2HE HIS 29 -4.461 -10.814 8.626
205 H LEU 30 H LEU 30 -1.778 -3.911 6.641
206 HA LEU 30 HA LEU 30 -0.635 -2.414 8.880
207 1HB LEU 30 2HB LEU 30 -0.478 -1.909 5.911
208 2HB LEU 30 1HB LEU 30 0.197 -0.841 7.123
209 HG LEU 30 HG LEU 30 1.077 -3.689 6.614
210 1HD1 LEU 30 1HD1 LEU 30 2.439 -1.070 6.037
211 2HD1 LEU 30 2HD1 LEU 30 1.800 -2.220 4.856
212 3HD1 LEU 30 3HD1 LEU 30 3.165 -2.667 5.869
213 1HD2 LEU 30 1HD2 LEU 30 1.309 -3.161 8.954
214 2HD2 LEU 30 2HD2 LEU 30 2.092 -1.631 8.572
215 3HD2 LEU 30 3HD2 LEU 30 2.901 -3.148 8.198
216 H ARG 31 H ARG 31 -1.102 0.177 7.989
217 HA ARG 31 HA ARG 31 -3.576 0.628 9.268
218 1HB ARG 31 2HB ARG 31 -1.536 2.194 9.112
219 2HB ARG 31 1HB ARG 31 -2.068 2.578 7.548
220 1HG ARG 31 2HG ARG 31 -4.256 3.361 8.381
221 2HG ARG 31 1HG ARG 31 -3.698 3.062 10.026
222 1HD ARG 31 2HD ARG 31 -1.822 4.641 9.598
223 2HD ARG 31 1HD ARG 31 -2.552 5.018 8.036
224 HE ARG 31 HE ARG 31 -4.025 5.408 10.546
225 1HH1 ARG 31 1HH1 ARG 31 -2.978 6.728 7.424
226 2HH1 ARG 31 2HH1 ARG 31 -3.507 8.301 7.765
227 1HH2 ARG 31 1HH2 ARG 31 -4.764 7.564 10.984
228 2HH2 ARG 31 2HH2 ARG 31 -4.551 8.793 9.829
229 H SER 32 H SER 32 -2.615 1.437 5.956
230 HA SER 32 HA SER 32 -5.160 0.748 4.813
231 1HB SER 32 2HB SER 32 -4.190 3.622 4.743
232 2HB SER 32 1HB SER 32 -5.640 2.972 4.007
233 HG SER 32 HG SER 32 -5.811 2.329 6.517
234 H GLY 33 H GLY 33 -4.903 1.774 2.434
235 1HA GLY 33 2HA GLY 33 -2.128 1.702 1.617
236 2HA GLY 33 1HA GLY 33 -3.210 0.479 0.942
237 H ARG 34 H ARG 34 -1.759 2.876 -0.128
238 HA ARG 34 HA ARG 34 -4.045 3.948 -1.600
239 1HB ARG 34 2HB ARG 34 -1.844 5.544 -0.349
240 2HB ARG 34 1HB ARG 34 -2.741 6.124 -1.749
241 1HG ARG 34 2HG ARG 34 -4.753 5.948 -0.613
242 2HG ARG 34 1HG ARG 34 -3.996 5.299 0.854
243 1HD ARG 34 2HD ARG 34 -3.592 8.047 -0.356
244 2HD ARG 34 1HD ARG 34 -4.424 7.688 1.156
245 HE ARG 34 HE ARG 34 -1.718 6.747 1.150
246 1HH1 ARG 34 1HH1 ARG 34 -3.690 9.634 1.728
247 2HH1 ARG 34 2HH1 ARG 34 -2.476 10.414 2.636
248 1HH2 ARG 34 1HH2 ARG 34 -0.176 7.740 2.333
249 2HH2 ARG 34 2HH2 ARG 34 -0.379 9.304 3.030
250 H CYS 35 H CYS 35 -3.828 4.557 -3.490
251 HA CYS 35 HA CYS 35 -1.812 2.983 -4.894
252 1HB CYS 35 2HB CYS 35 -4.310 2.847 -5.304
253 2HB CYS 35 1HB CYS 35 -4.178 4.441 -6.033
254 H ARG 36 H ARG 36 -0.089 4.022 -5.735
255 HA ARG 36 HA ARG 36 -0.382 6.916 -5.972
256 1HB ARG 36 2HB ARG 36 2.046 5.415 -5.032
257 2HB ARG 36 1HB ARG 36 2.000 7.138 -5.386
258 1HG ARG 36 2HG ARG 36 0.233 7.404 -3.666
259 2HG ARG 36 1HG ARG 36 0.409 5.703 -3.273
260 1HD ARG 36 2HD ARG 36 1.650 7.186 -1.731
261 2HD ARG 36 1HD ARG 36 2.683 6.030 -2.570
262 HE ARG 36 HE ARG 36 2.884 8.128 -4.167
263 1HH1 ARG 36 1HH1 ARG 36 3.105 8.001 -0.646
264 2HH1 ARG 36 2HH1 ARG 36 4.225 9.286 -0.567
265 1HH2 ARG 36 1HH2 ARG 36 4.424 9.839 -4.043
266 2HH2 ARG 36 2HH2 ARG 36 4.971 10.351 -2.514
267 H ASP 37 H ASP 37 1.609 7.838 -7.210
268 HA ASP 37 HA ASP 37 1.009 7.225 -9.890
269 1HB ASP 37 2HB ASP 37 2.540 9.054 -10.452
270 2HB ASP 37 1HB ASP 37 1.427 9.493 -9.170
271 H ASP 38 H ASP 38 3.053 5.547 -8.005
272 HA ASP 38 HA ASP 38 5.120 4.957 -9.992
273 1HB ASP 38 2HB ASP 38 4.392 3.405 -7.489
274 2HB ASP 38 1HB ASP 38 5.836 3.190 -8.464
275 H PHE 39 H PHE 39 1.922 4.302 -9.591
276 HA PHE 39 HA PHE 39 0.417 2.864 -10.357
277 1HB PHE 39 2HB PHE 39 2.700 1.658 -11.982
278 2HB PHE 39 1HB PHE 39 1.013 1.200 -12.143
279 HD1 PHE 39 1HD PHE 39 3.548 3.645 -12.994
280 HD2 PHE 39 2HD PHE 39 -0.624 2.805 -13.057
281 HE1 PHE 39 1HE PHE 39 3.218 5.431 -14.654
282 HE2 PHE 39 2HE PHE 39 -0.961 4.588 -14.720
283 HZ PHE 39 HZ PHE 39 0.962 5.901 -15.520
284 H ARG 40 H ARG 40 2.179 2.483 -8.070
285 HA ARG 40 HA ARG 40 1.646 -0.359 -7.666
286 1HB ARG 40 2HB ARG 40 3.962 1.174 -6.436
287 2HB ARG 40 1HB ARG 40 3.512 -0.479 -6.061
288 1HG ARG 40 2HG ARG 40 3.835 -0.852 -8.615
289 2HG ARG 40 1HG ARG 40 4.764 0.644 -8.499
290 1HD ARG 40 2HD ARG 40 6.272 -1.229 -8.246
291 2HD ARG 40 1HD ARG 40 6.139 -0.386 -6.702
292 HE ARG 40 HE ARG 40 4.238 -2.385 -6.636
293 1HH1 ARG 40 1HH1 ARG 40 7.773 -2.278 -6.879
294 2HH1 ARG 40 2HH1 ARG 40 8.001 -3.870 -6.311
295 1HH2 ARG 40 1HH2 ARG 40 4.562 -4.562 -5.791
296 2HH2 ARG 40 2HH2 ARG 40 6.130 -5.192 -5.677
297 H CYS 41 H CYS 41 1.286 -0.961 -5.509
298 HA CYS 41 HA CYS 41 -0.479 0.833 -4.146
299 1HB CYS 41 2HB CYS 41 -1.101 -1.428 -4.485
300 2HB CYS 41 1HB CYS 41 0.379 -2.040 -3.778
301 H TRP 42 H TRP 42 -0.041 1.763 -2.221
302 HA TRP 42 HA TRP 42 2.551 1.274 -0.949
303 1HB TRP 42 2HB TRP 42 1.061 3.843 -1.471
304 2HB TRP 42 1HB TRP 42 2.279 3.704 -0.215
305 HD1 TRP 42 HD TRP 42 2.011 3.329 -4.084
306 HE1 TRP 42 1HE TRP 42 4.315 4.035 -5.059
307 HE3 TRP 42 3HE TRP 42 4.605 4.143 0.269
308 HZ2 TRP 42 2HZ TRP 42 6.760 4.753 -4.166
309 HZ3 TRP 42 3HZ TRP 42 6.881 4.859 0.139
310 HH2 TRP 42 HH TRP 42 8.008 5.171 -2.034
311 H CYS 43 H CYS 43 2.227 0.534 1.033
312 HA CYS 43 HA CYS 43 -0.389 0.768 2.282
313 1HB CYS 43 2HB CYS 43 2.075 -0.788 3.081
314 2HB CYS 43 1HB CYS 43 0.511 -0.846 3.888
315 H THR 44 H THR 44 -0.700 2.107 4.047
316 HA THR 44 HA THR 44 1.590 3.712 4.784
317 HB THR 44 HB THR 44 -1.273 4.078 5.708
318 HG1 THR 44 1HG THR 44 -0.108 4.983 3.214
319 1HG2 THR 44 1HG2 THR 44 1.034 5.999 5.305
320 2HG2 THR 44 2HG2 THR 44 0.480 5.365 6.852
321 3HG2 THR 44 3HG2 THR 44 -0.559 6.439 5.917
322 H ARG 45 H ARG 45 2.353 3.519 6.878
323 HA ARG 45 HA ARG 45 0.877 1.775 8.657
324 1HB ARG 45 2HB ARG 45 3.063 0.751 9.389
325 2HB ARG 45 1HB ARG 45 2.536 0.307 7.776
326 1HG ARG 45 2HG ARG 45 4.125 1.909 6.817
327 2HG ARG 45 1HG ARG 45 4.650 2.352 8.442
328 1HD ARG 45 2HD ARG 45 5.469 0.112 8.836
329 2HD ARG 45 1HD ARG 45 4.810 -0.431 7.293
330 HE ARG 45 HE ARG 45 6.480 1.518 6.520
331 1HH1 ARG 45 1HH1 ARG 45 7.028 -1.249 8.668
332 2HH1 ARG 45 2HH1 ARG 45 8.678 -1.396 8.304
333 1HH2 ARG 45 1HH2 ARG 45 8.701 1.306 5.980
334 2HH2 ARG 45 2HH2 ARG 45 9.670 0.103 6.713
335 H ASN 46 H ASN 46 0.935 2.375 10.802
336 HA ASN 46 HA ASN 46 1.688 4.990 11.328
337 1HB ASN 46 2HB ASN 46 0.632 2.692 12.937
338 2HB ASN 46 1HB ASN 46 1.088 4.232 13.640
339 1HD2 ASN 46 1HD2 ASN 46 -1.538 2.963 13.511
340 2HD2 ASN 46 2HD2 ASN 46 -2.579 4.062 12.698
341 H CYS 47 H CYS 47 3.512 5.701 12.086
342 HA CYS 47 HA CYS 47 5.401 3.819 13.228
343 1HB CYS 47 2HB CYS 47 7.211 5.299 12.193
344 2HB CYS 47 1HB CYS 47 6.297 4.312 11.063
Start of MODEL 17
1 1H LYS 1 1HT LYS 1 5.083 8.514 13.659
2 2H LYS 1 2HT LYS 1 3.718 9.484 13.612
3 3H LYS 1 3HT LYS 1 5.223 10.194 13.932
4 HA LYS 1 HA LYS 1 4.572 10.614 11.655
5 1HB LYS 1 2HB LYS 1 6.570 8.344 11.714
6 2HB LYS 1 1HB LYS 1 6.347 9.483 10.429
7 1HG LYS 1 2HG LYS 1 7.205 11.285 11.764
8 2HG LYS 1 1HG LYS 1 7.309 10.230 13.171
9 1HD LYS 1 2HD LYS 1 9.526 10.407 12.274
10 2HD LYS 1 1HD LYS 1 8.931 8.805 11.886
11 1HE LYS 1 2HE LYS 1 8.899 11.126 9.937
12 2HE LYS 1 1HE LYS 1 10.224 9.982 10.056
13 1HZ LYS 1 1HZ LYS 1 7.429 9.394 9.144
14 2HZ LYS 1 2HZ LYS 1 8.597 8.208 9.462
15 3HZ LYS 1 3HZ LYS 1 8.857 9.317 8.268
16 H THR 2 H THR 2 4.652 9.213 9.505
17 HA THR 2 HA THR 2 3.218 6.748 9.897
18 HB THR 2 HB THR 2 2.067 7.259 7.752
19 HG1 THR 2 1HG THR 2 3.325 9.229 7.356
20 1HG2 THR 2 1HG2 THR 2 0.884 7.151 9.871
21 2HG2 THR 2 2HG2 THR 2 0.202 8.423 8.866
22 3HG2 THR 2 3HG2 THR 2 1.277 8.839 10.204
23 H CYS 3 H CYS 3 4.093 5.260 8.955
24 HA CYS 3 HA CYS 3 6.287 5.760 7.100
25 1HB CYS 3 2HB CYS 3 5.666 3.379 8.882
26 2HB CYS 3 1HB CYS 3 6.988 3.427 7.725
27 H GLU 4 H GLU 4 6.103 4.996 5.079
28 HA GLU 4 HA GLU 4 3.712 3.442 4.488
29 1HB GLU 4 2HB GLU 4 3.535 5.921 4.004
30 2HB GLU 4 1HB GLU 4 4.836 5.703 2.865
31 1HG GLU 4 2HG GLU 4 3.513 4.304 1.505
32 2HG GLU 4 1HG GLU 4 2.207 4.283 2.699
33 H ASN 5 H ASN 5 4.104 1.783 3.183
34 HA ASN 5 HA ASN 5 6.677 1.610 1.817
35 1HB ASN 5 2HB ASN 5 5.603 -0.445 3.768
36 2HB ASN 5 1HB ASN 5 6.887 -0.764 2.620
37 1HD2 ASN 5 1HD2 ASN 5 8.880 0.122 2.963
38 2HD2 ASN 5 2HD2 ASN 5 9.379 0.762 4.489
39 H LEU 6 H LEU 6 6.710 -0.152 0.334
40 HA LEU 6 HA LEU 6 4.423 -0.149 -1.264
41 1HB LEU 6 2HB LEU 6 6.997 -1.512 -1.094
42 2HB LEU 6 1HB LEU 6 5.859 -1.965 -2.335
43 HG LEU 6 HG LEU 6 6.999 0.824 -1.986
44 1HD1 LEU 6 1HD1 LEU 6 8.389 0.296 -3.919
45 2HD1 LEU 6 2HD1 LEU 6 7.772 -1.356 -3.925
46 3HD1 LEU 6 3HD1 LEU 6 8.760 -0.787 -2.578
47 1HD2 LEU 6 1HD2 LEU 6 6.136 1.158 -4.237
48 2HD2 LEU 6 2HD2 LEU 6 4.846 0.736 -3.116
49 3HD2 LEU 6 3HD2 LEU 6 5.477 -0.476 -4.231
50 H ALA 7 H ALA 7 2.931 -1.736 -1.529
51 HA ALA 7 HA ALA 7 2.522 -3.704 0.434
52 1HB ALA 7 1HB ALA 7 0.849 -4.563 -1.185
53 2HB ALA 7 2HB ALA 7 1.468 -3.402 -2.369
54 3HB ALA 7 3HB ALA 7 0.703 -2.831 -0.889
55 H ASN 8 H ASN 8 3.496 -5.578 0.619
56 HA ASN 8 HA ASN 8 5.681 -6.175 -1.145
57 1HB ASN 8 2HB ASN 8 4.692 -7.715 1.260
58 2HB ASN 8 1HB ASN 8 6.185 -8.030 0.390
59 1HD2 ASN 8 1HD2 ASN 8 4.589 -6.040 2.688
60 2HD2 ASN 8 2HD2 ASN 8 5.952 -5.104 3.154
61 H THR 9 H THR 9 2.497 -7.373 -0.614
62 HA THR 9 HA THR 9 3.122 -9.612 -2.375
63 HB THR 9 HB THR 9 0.840 -10.499 -1.641
64 HG1 THR 9 1HG THR 9 1.185 -8.383 0.256
65 1HG2 THR 9 1HG2 THR 9 2.980 -10.095 0.454
66 2HG2 THR 9 2HG2 THR 9 2.942 -11.380 -0.750
67 3HG2 THR 9 3HG2 THR 9 1.710 -11.314 0.510
68 H TYR 10 H TYR 10 2.415 -6.704 -2.955
69 HA TYR 10 HA TYR 10 0.416 -7.306 -5.037
70 1HB TYR 10 2HB TYR 10 -0.167 -5.417 -3.410
71 2HB TYR 10 1HB TYR 10 1.208 -4.538 -4.057
72 HD1 TYR 10 1HD TYR 10 -2.263 -5.350 -4.465
73 HD2 TYR 10 2HD TYR 10 1.162 -3.925 -6.561
74 HE1 TYR 10 1HE TYR 10 -3.720 -4.451 -6.234
75 HE2 TYR 10 2HE TYR 10 -0.287 -3.024 -8.325
76 HH TYR 10 HH TYR 10 -2.543 -3.494 -9.221
77 H ARG 11 H ARG 11 1.416 -7.716 -6.826
78 HA ARG 11 HA ARG 11 3.991 -6.415 -7.346
79 1HB ARG 11 2HB ARG 11 4.178 -8.784 -6.628
80 2HB ARG 11 1HB ARG 11 3.204 -9.248 -8.012
81 1HG ARG 11 2HG ARG 11 4.942 -8.310 -9.486
82 2HG ARG 11 1HG ARG 11 5.927 -7.983 -8.060
83 1HD ARG 11 2HD ARG 11 6.615 -10.086 -9.048
84 2HD ARG 11 1HD ARG 11 5.856 -10.370 -7.481
85 HE ARG 11 HE ARG 11 4.190 -10.553 -9.846
86 1HH1 ARG 11 1HH1 ARG 11 5.912 -12.291 -7.254
87 2HH1 ARG 11 2HH1 ARG 11 5.142 -13.772 -7.529
88 1HH2 ARG 11 1HH2 ARG 11 3.109 -12.603 -10.200
89 2HH2 ARG 11 2HH2 ARG 11 3.512 -13.951 -9.222
90 H GLY 12 H GLY 12 3.256 -4.911 -8.773
91 1HA GLY 12 2HA GLY 12 3.190 -5.177 -11.362
92 2HA GLY 12 1HA GLY 12 1.548 -5.698 -10.972
93 HA PRO 13 HA PRO 13 1.714 -1.037 -11.051
94 1HB PRO 13 2HB PRO 13 -0.112 -1.082 -13.302
95 2HB PRO 13 1HB PRO 13 1.494 -0.360 -13.210
96 1HG PRO 13 2HG PRO 13 0.943 -2.535 -14.734
97 2HG PRO 13 1HG PRO 13 2.529 -2.229 -14.004
98 1HD PRO 13 2HD PRO 13 0.334 -4.046 -13.063
99 2HD PRO 13 1HD PRO 13 2.085 -4.347 -13.130
100 H CYS 14 H CYS 14 0.284 0.070 -10.023
101 HA CYS 14 HA CYS 14 -2.350 -1.077 -9.487
102 1HB CYS 14 2HB CYS 14 -0.973 -0.973 -7.519
103 2HB CYS 14 1HB CYS 14 -0.532 0.694 -7.862
104 H PHE 15 H PHE 15 -4.112 0.206 -9.801
105 HA PHE 15 HA PHE 15 -3.683 2.984 -10.643
106 1HB PHE 15 2HB PHE 15 -5.454 0.989 -12.070
107 2HB PHE 15 1HB PHE 15 -5.295 2.689 -12.476
108 HD1 PHE 15 1HD PHE 15 -3.950 -0.614 -12.892
109 HD2 PHE 15 2HD PHE 15 -3.095 3.521 -13.356
110 HE1 PHE 15 1HE PHE 15 -2.110 -1.177 -14.416
111 HE2 PHE 15 2HE PHE 15 -1.245 2.966 -14.879
112 HZ PHE 15 HZ PHE 15 -0.753 0.619 -15.413
113 H THR 16 H THR 16 -4.992 1.206 -8.335
114 HA THR 16 HA THR 16 -7.285 2.965 -7.990
115 HB THR 16 HB THR 16 -7.518 -0.051 -7.958
116 HG1 THR 16 1HG THR 16 -7.775 1.826 -9.830
117 1HG2 THR 16 1HG2 THR 16 -8.954 1.008 -6.250
118 2HG2 THR 16 2HG2 THR 16 -9.915 0.335 -7.569
119 3HG2 THR 16 3HG2 THR 16 -9.618 2.074 -7.489
120 H THR 17 H THR 17 -7.161 3.764 -5.977
121 HA THR 17 HA THR 17 -5.351 2.590 -4.130
122 HB THR 17 HB THR 17 -5.644 5.106 -4.471
123 HG1 THR 17 1HG THR 17 -6.037 4.544 -1.775
124 1HG2 THR 17 1HG2 THR 17 -7.983 4.597 -2.686
125 2HG2 THR 17 2HG2 THR 17 -8.088 5.251 -4.336
126 3HG2 THR 17 3HG2 THR 17 -7.302 6.178 -3.031
127 H GLY 18 H GLY 18 -8.772 2.463 -4.539
128 1HA GLY 18 2HA GLY 18 -9.452 1.592 -1.936
129 2HA GLY 18 1HA GLY 18 -10.375 1.293 -3.411
130 H SER 19 H SER 19 -8.235 -0.030 -4.759
131 HA SER 19 HA SER 19 -8.728 -2.664 -3.733
132 1HB SER 19 2HB SER 19 -8.681 -2.088 -6.203
133 2HB SER 19 1HB SER 19 -6.943 -1.841 -6.053
134 HG SER 19 HG SER 19 -8.413 -4.208 -5.613
135 H CYS 20 H CYS 20 -6.220 -0.283 -3.749
136 HA CYS 20 HA CYS 20 -4.124 -1.943 -2.821
137 1HB CYS 20 2HB CYS 20 -3.653 0.258 -3.929
138 2HB CYS 20 1HB CYS 20 -4.467 1.053 -2.639
139 H ASP 21 H ASP 21 -6.398 0.327 -1.171
140 HA ASP 21 HA ASP 21 -5.492 -0.152 1.435
141 1HB ASP 21 2HB ASP 21 -7.062 1.656 0.971
142 2HB ASP 21 1HB ASP 21 -8.326 0.490 0.555
143 H ASP 22 H ASP 22 -8.091 -1.720 -0.363
144 HA ASP 22 HA ASP 22 -8.947 -3.689 1.345
145 1HB ASP 22 2HB ASP 22 -9.896 -3.455 -0.864
146 2HB ASP 22 1HB ASP 22 -8.361 -3.850 -1.617
147 H HIS 23 H HIS 23 -6.201 -3.832 -0.817
148 HA HIS 23 HA HIS 23 -5.261 -6.381 -0.148
149 1HB HIS 23 2HB HIS 23 -4.631 -5.298 -2.225
150 2HB HIS 23 1HB HIS 23 -3.862 -3.988 -1.342
151 HD1 HIS 23 1HD HIS 23 -3.355 -7.548 -2.360
152 HD2 HIS 23 2HD HIS 23 -1.307 -4.510 -0.430
153 HE1 HIS 23 1HE HIS 23 -1.009 -8.362 -2.106
154 HE2 HIS 23 2HE HIS 23 0.067 -6.633 -0.620
155 H CYS 24 H CYS 24 -4.159 -3.185 0.965
156 HA CYS 24 HA CYS 24 -2.146 -4.228 2.642
157 1HB CYS 24 2HB CYS 24 -3.497 -1.522 2.655
158 2HB CYS 24 1HB CYS 24 -2.045 -1.899 3.568
159 H LYS 25 H LYS 25 -5.601 -3.632 3.219
160 HA LYS 25 HA LYS 25 -5.456 -3.823 6.012
161 1HB LYS 25 2HB LYS 25 -7.570 -4.071 3.910
162 2HB LYS 25 1HB LYS 25 -7.901 -4.263 5.609
163 1HG LYS 25 2HG LYS 25 -6.621 -1.785 4.520
164 2HG LYS 25 1HG LYS 25 -8.364 -1.999 4.491
165 1HD LYS 25 2HD LYS 25 -8.322 -2.334 6.926
166 2HD LYS 25 1HD LYS 25 -6.588 -2.005 6.916
167 1HE LYS 25 2HE LYS 25 -7.952 -0.029 7.516
168 2HE LYS 25 1HE LYS 25 -6.951 0.213 6.093
169 1HZ LYS 25 1HZ LYS 25 -8.887 -0.074 4.692
170 2HZ LYS 25 2HZ LYS 25 -9.192 1.098 5.850
171 3HZ LYS 25 3HZ LYS 25 -9.860 -0.429 6.037
172 H ASN 26 H ASN 26 -6.855 -5.947 3.511
173 HA ASN 26 HA ASN 26 -7.337 -8.042 5.304
174 1HB ASN 26 2HB ASN 26 -8.821 -7.748 3.513
175 2HB ASN 26 1HB ASN 26 -7.528 -7.755 2.325
176 1HD2 ASN 26 1HD2 ASN 26 -6.848 -9.678 1.512
177 2HD2 ASN 26 2HD2 ASN 26 -7.549 -11.202 1.892
178 H LYS 27 H LYS 27 -4.858 -7.585 2.844
179 HA LYS 27 HA LYS 27 -3.859 -10.257 3.387
180 1HB LYS 27 2HB LYS 27 -4.095 -9.520 1.082
181 2HB LYS 27 1HB LYS 27 -2.994 -8.188 1.370
182 1HG LYS 27 2HG LYS 27 -1.822 -9.894 0.183
183 2HG LYS 27 1HG LYS 27 -1.209 -9.860 1.834
184 1HD LYS 27 2HD LYS 27 -2.560 -11.801 2.398
185 2HD LYS 27 1HD LYS 27 -3.271 -11.802 0.786
186 1HE LYS 27 2HE LYS 27 -1.001 -12.142 -0.158
187 2HE LYS 27 1HE LYS 27 -0.374 -12.269 1.481
188 1HZ LYS 27 1HZ LYS 27 -0.773 -14.436 0.551
189 2HZ LYS 27 2HZ LYS 27 -2.379 -14.052 0.229
190 3HZ LYS 27 3HZ LYS 27 -1.857 -14.177 1.822
191 H GLU 28 H GLU 28 -2.783 -6.875 3.729
192 HA GLU 28 HA GLU 28 -0.367 -7.999 4.905
193 1HB GLU 28 2HB GLU 28 -0.653 -5.284 3.640
194 2HB GLU 28 1HB GLU 28 0.832 -5.919 4.350
195 1HG GLU 28 2HG GLU 28 0.423 -7.938 2.781
196 2HG GLU 28 1HG GLU 28 -0.656 -6.871 1.946
197 H HIS 29 H HIS 29 -3.109 -6.636 5.927
198 HA HIS 29 HA HIS 29 -3.896 -6.041 7.921
199 1HB HIS 29 2HB HIS 29 -2.604 -8.171 8.476
200 2HB HIS 29 1HB HIS 29 -1.345 -7.124 9.110
201 HD1 HIS 29 1HD HIS 29 -1.561 -6.524 11.507
202 HD2 HIS 29 2HD HIS 29 -5.165 -7.749 9.879
203 HE1 HIS 29 1HE HIS 29 -3.173 -6.632 13.446
204 HE2 HIS 29 2HE HIS 29 -5.319 -7.486 12.445
205 H LEU 30 H LEU 30 -2.465 -3.969 6.567
206 HA LEU 30 HA LEU 30 -1.246 -2.573 8.831
207 1HB LEU 30 2HB LEU 30 -0.947 -1.975 5.896
208 2HB LEU 30 1HB LEU 30 -0.285 -0.989 7.170
209 HG LEU 30 HG LEU 30 0.491 -3.863 6.668
210 1HD1 LEU 30 1HD1 LEU 30 1.989 -1.301 6.174
211 2HD1 LEU 30 2HD1 LEU 30 1.346 -2.402 4.950
212 3HD1 LEU 30 3HD1 LEU 30 2.642 -2.931 6.008
213 1HD2 LEU 30 1HD2 LEU 30 2.250 -3.407 8.325
214 2HD2 LEU 30 2HD2 LEU 30 0.639 -3.333 9.022
215 3HD2 LEU 30 3HD2 LEU 30 1.511 -1.841 8.662
216 H ARG 31 H ARG 31 -1.429 -0.012 8.173
217 HA ARG 31 HA ARG 31 -3.859 0.606 9.443
218 1HB ARG 31 2HB ARG 31 -1.670 1.943 9.415
219 2HB ARG 31 1HB ARG 31 -2.173 2.536 7.898
220 1HG ARG 31 2HG ARG 31 -4.180 3.531 8.756
221 2HG ARG 31 1HG ARG 31 -3.843 2.900 10.364
222 1HD ARG 31 2HD ARG 31 -3.194 5.215 10.303
223 2HD ARG 31 1HD ARG 31 -1.759 4.221 10.394
224 HE ARG 31 HE ARG 31 -1.406 4.632 8.034
225 1HH1 ARG 31 1HH1 ARG 31 -3.745 6.810 9.610
226 2HH1 ARG 31 2HH1 ARG 31 -3.394 8.141 8.633
227 1HH2 ARG 31 1HH2 ARG 31 -0.928 6.496 6.657
228 2HH2 ARG 31 2HH2 ARG 31 -1.807 7.937 6.886
229 H SER 32 H SER 32 -2.793 1.447 6.170
230 HA SER 32 HA SER 32 -5.395 1.035 5.026
231 1HB SER 32 2HB SER 32 -4.148 3.785 4.839
232 2HB SER 32 1HB SER 32 -5.727 3.283 4.271
233 HG SER 32 HG SER 32 -5.833 2.767 6.774
234 H GLY 33 H GLY 33 -5.076 1.839 2.676
235 1HA GLY 33 2HA GLY 33 -2.291 1.571 1.866
236 2HA GLY 33 1HA GLY 33 -3.472 0.466 1.165
237 H ARG 34 H ARG 34 -1.787 2.697 0.076
238 HA ARG 34 HA ARG 34 -3.967 3.961 -1.385
239 1HB ARG 34 2HB ARG 34 -1.669 5.402 -0.111
240 2HB ARG 34 1HB ARG 34 -2.497 6.006 -1.544
241 1HG ARG 34 2HG ARG 34 -4.531 5.991 -0.427
242 2HG ARG 34 1HG ARG 34 -3.801 5.430 1.098
243 1HD ARG 34 2HD ARG 34 -3.295 8.049 -0.350
244 2HD ARG 34 1HD ARG 34 -4.058 7.850 1.227
245 HE ARG 34 HE ARG 34 -1.465 6.750 1.285
246 1HH1 ARG 34 1HH1 ARG 34 -3.031 9.926 1.152
247 2HH1 ARG 34 2HH1 ARG 34 -1.741 10.749 1.889
248 1HH2 ARG 34 1HH2 ARG 34 0.322 7.860 2.232
249 2HH2 ARG 34 2HH2 ARG 34 0.219 9.533 2.543
250 H CYS 35 H CYS 35 -3.689 4.386 -3.228
251 HA CYS 35 HA CYS 35 -1.425 3.036 -4.523
252 1HB CYS 35 2HB CYS 35 -3.722 2.295 -5.088
253 2HB CYS 35 1HB CYS 35 -4.027 3.891 -5.788
254 H ARG 36 H ARG 36 0.085 4.391 -4.820
255 HA ARG 36 HA ARG 36 -0.430 7.212 -5.184
256 1HB ARG 36 2HB ARG 36 2.107 5.590 -4.931
257 2HB ARG 36 1HB ARG 36 2.082 7.340 -5.112
258 1HG ARG 36 2HG ARG 36 0.883 7.570 -3.026
259 2HG ARG 36 1HG ARG 36 0.740 5.832 -2.885
260 1HD ARG 36 2HD ARG 36 2.496 6.796 -1.440
261 2HD ARG 36 1HD ARG 36 3.083 5.583 -2.560
262 HE ARG 36 HE ARG 36 3.545 7.914 -3.858
263 1HH1 ARG 36 1HH1 ARG 36 4.268 6.927 -0.535
264 2HH1 ARG 36 2HH1 ARG 36 5.819 7.614 -0.492
265 1HH2 ARG 36 1HH2 ARG 36 5.645 8.847 -3.851
266 2HH2 ARG 36 2HH2 ARG 36 6.642 8.778 -2.462
267 H ASP 37 H ASP 37 0.683 8.380 -6.969
268 HA ASP 37 HA ASP 37 0.216 7.046 -9.480
269 1HB ASP 37 2HB ASP 37 1.337 9.813 -8.938
270 2HB ASP 37 1HB ASP 37 0.971 9.191 -10.542
271 H ASP 38 H ASP 38 2.399 6.569 -7.507
272 HA ASP 38 HA ASP 38 4.843 6.326 -8.988
273 1HB ASP 38 2HB ASP 38 4.749 6.490 -6.517
274 2HB ASP 38 1HB ASP 38 3.829 5.000 -6.459
275 H PHE 39 H PHE 39 1.834 4.875 -8.911
276 HA PHE 39 HA PHE 39 0.801 3.256 -10.006
277 1HB PHE 39 2HB PHE 39 3.476 2.702 -11.321
278 2HB PHE 39 1HB PHE 39 1.974 1.903 -11.757
279 HD1 PHE 39 1HD PHE 39 0.070 3.289 -12.630
280 HD2 PHE 39 2HD PHE 39 4.013 4.820 -12.208
281 HE1 PHE 39 1HE PHE 39 -0.476 5.110 -14.184
282 HE2 PHE 39 2HE PHE 39 3.472 6.649 -13.764
283 HZ PHE 39 HZ PHE 39 1.224 6.796 -14.753
284 H ARG 40 H ARG 40 2.229 2.900 -7.470
285 HA ARG 40 HA ARG 40 1.978 -0.016 -7.407
286 1HB ARG 40 2HB ARG 40 4.056 1.585 -5.911
287 2HB ARG 40 1HB ARG 40 3.782 -0.138 -5.750
288 1HG ARG 40 2HG ARG 40 4.676 1.254 -8.250
289 2HG ARG 40 1HG ARG 40 5.728 0.405 -7.105
290 1HD ARG 40 2HD ARG 40 3.463 -0.891 -8.635
291 2HD ARG 40 1HD ARG 40 5.145 -0.898 -9.149
292 HE ARG 40 HE ARG 40 4.560 -1.962 -6.506
293 1HH1 ARG 40 1HH1 ARG 40 5.141 -2.653 -9.924
294 2HH1 ARG 40 2HH1 ARG 40 5.776 -4.201 -9.674
295 1HH2 ARG 40 1HH2 ARG 40 5.413 -4.134 -6.128
296 2HH2 ARG 40 2HH2 ARG 40 5.949 -5.059 -7.445
297 H CYS 41 H CYS 41 1.477 -0.823 -5.306
298 HA CYS 41 HA CYS 41 -0.378 0.886 -3.918
299 1HB CYS 41 2HB CYS 41 -1.087 -1.258 -4.564
300 2HB CYS 41 1HB CYS 41 0.287 -2.061 -3.805
301 H TRP 42 H TRP 42 0.217 1.927 -2.162
302 HA TRP 42 HA TRP 42 2.580 1.027 -0.700
303 1HB TRP 42 2HB TRP 42 1.445 3.762 -1.238
304 2HB TRP 42 1HB TRP 42 2.559 3.466 0.082
305 HD1 TRP 42 HD TRP 42 2.440 3.404 -3.784
306 HE1 TRP 42 1HE TRP 42 4.892 3.758 -4.656
307 HE3 TRP 42 3HE TRP 42 4.983 3.349 0.698
308 HZ2 TRP 42 2HZ TRP 42 7.444 4.024 -3.568
309 HZ3 TRP 42 3HZ TRP 42 7.353 3.694 0.682
310 HH2 TRP 42 HH TRP 42 8.582 4.015 -1.379
311 H CYS 43 H CYS 43 2.055 0.246 1.182
312 HA CYS 43 HA CYS 43 -0.531 0.713 2.416
313 1HB CYS 43 2HB CYS 43 1.790 -1.025 3.266
314 2HB CYS 43 1HB CYS 43 0.155 -1.055 3.915
315 H THR 44 H THR 44 -0.703 1.974 4.338
316 HA THR 44 HA THR 44 1.760 3.320 5.054
317 HB THR 44 HB THR 44 0.221 4.840 3.963
318 HG1 THR 44 1HG THR 44 0.964 6.137 5.422
319 1HG2 THR 44 1HG2 THR 44 -1.844 3.994 5.996
320 2HG2 THR 44 2HG2 THR 44 -1.872 3.645 4.268
321 3HG2 THR 44 3HG2 THR 44 -2.037 5.308 4.836
322 H ARG 45 H ARG 45 1.959 3.740 7.322
323 HA ARG 45 HA ARG 45 0.133 2.488 9.166
324 1HB ARG 45 2HB ARG 45 2.001 1.120 10.190
325 2HB ARG 45 1HB ARG 45 1.465 0.547 8.614
326 1HG ARG 45 2HG ARG 45 3.392 1.669 7.583
327 2HG ARG 45 1HG ARG 45 3.911 2.200 9.176
328 1HD ARG 45 2HD ARG 45 4.323 -0.054 9.869
329 2HD ARG 45 1HD ARG 45 3.579 -0.688 8.398
330 HE ARG 45 HE ARG 45 5.441 0.612 7.241
331 1HH1 ARG 45 1HH1 ARG 45 5.923 -0.950 10.402
332 2HH1 ARG 45 2HH1 ARG 45 7.565 -1.285 10.123
333 1HH2 ARG 45 1HH2 ARG 45 7.678 0.210 6.893
334 2HH2 ARG 45 2HH2 ARG 45 8.623 -0.561 8.064
335 H ASN 46 H ASN 46 0.547 3.135 11.357
336 HA ASN 46 HA ASN 46 1.705 5.712 11.515
337 1HB ASN 46 2HB ASN 46 0.242 3.849 13.348
338 2HB ASN 46 1HB ASN 46 0.899 5.380 13.877
339 1HD2 ASN 46 1HD2 ASN 46 -1.855 4.369 13.755
340 2HD2 ASN 46 2HD2 ASN 46 -2.746 5.518 12.836
341 H CYS 47 H CYS 47 3.575 6.171 12.615
342 HA CYS 47 HA CYS 47 4.860 4.102 14.123
343 1HB CYS 47 2HB CYS 47 7.064 4.528 12.887
344 2HB CYS 47 1HB CYS 47 5.861 3.579 12.023
Start of MODEL 18
1 1H LYS 1 1HT LYS 1 4.958 8.286 13.670
2 2H LYS 1 2HT LYS 1 3.357 8.690 13.783
3 3H LYS 1 3HT LYS 1 4.516 9.784 14.344
4 HA LYS 1 HA LYS 1 3.673 10.502 12.171
5 1HB LYS 1 2HB LYS 1 6.316 9.082 11.762
6 2HB LYS 1 1HB LYS 1 5.690 10.409 10.815
7 1HG LYS 1 2HG LYS 1 5.896 11.901 12.712
8 2HG LYS 1 1HG LYS 1 6.499 10.572 13.705
9 1HD LYS 1 2HD LYS 1 8.387 10.305 12.111
10 2HD LYS 1 1HD LYS 1 7.788 11.705 11.227
11 1HE LYS 1 2HE LYS 1 9.623 12.293 12.738
12 2HE LYS 1 1HE LYS 1 8.129 13.116 13.174
13 1HZ LYS 1 1HZ LYS 1 9.359 12.195 15.076
14 2HZ LYS 1 2HZ LYS 1 9.069 10.627 14.524
15 3HZ LYS 1 3HZ LYS 1 7.796 11.629 14.965
16 H THR 2 H THR 2 4.174 9.692 9.724
17 HA THR 2 HA THR 2 3.207 6.961 9.648
18 HB THR 2 HB THR 2 2.051 7.568 7.508
19 HG1 THR 2 1HG THR 2 2.370 10.230 8.531
20 1HG2 THR 2 1HG2 THR 2 0.050 8.481 8.640
21 2HG2 THR 2 2HG2 THR 2 1.042 8.841 10.052
22 3HG2 THR 2 3HG2 THR 2 0.791 7.167 9.551
23 H CYS 3 H CYS 3 4.214 5.646 8.451
24 HA CYS 3 HA CYS 3 6.323 6.635 6.695
25 1HB CYS 3 2HB CYS 3 6.189 4.113 8.408
26 2HB CYS 3 1HB CYS 3 7.471 4.473 7.257
27 H GLU 4 H GLU 4 6.234 5.751 4.583
28 HA GLU 4 HA GLU 4 4.105 3.798 4.197
29 1HB GLU 4 2HB GLU 4 3.389 6.208 3.760
30 2HB GLU 4 1HB GLU 4 4.531 6.205 2.440
31 1HG GLU 4 2HG GLU 4 3.319 4.588 1.254
32 2HG GLU 4 1HG GLU 4 2.322 4.215 2.658
33 H ASN 5 H ASN 5 4.461 2.407 2.477
34 HA ASN 5 HA ASN 5 6.703 2.666 0.707
35 1HB ASN 5 2HB ASN 5 7.692 1.834 2.978
36 2HB ASN 5 1HB ASN 5 6.802 0.351 2.628
37 1HD2 ASN 5 1HD2 ASN 5 8.705 -0.837 2.396
38 2HD2 ASN 5 2HD2 ASN 5 9.716 -0.627 1.016
39 H LEU 6 H LEU 6 6.832 0.622 -0.571
40 HA LEU 6 HA LEU 6 4.334 0.212 -1.682
41 1HB LEU 6 2HB LEU 6 6.969 -1.113 -1.923
42 2HB LEU 6 1HB LEU 6 5.613 -1.321 -3.010
43 HG LEU 6 HG LEU 6 7.041 1.301 -2.558
44 1HD1 LEU 6 1HD1 LEU 6 7.265 -0.685 -4.799
45 2HD1 LEU 6 2HD1 LEU 6 8.503 -0.338 -3.590
46 3HD1 LEU 6 3HD1 LEU 6 8.026 0.905 -4.746
47 1HD2 LEU 6 1HD2 LEU 6 5.844 1.970 -4.580
48 2HD2 LEU 6 2HD2 LEU 6 4.733 1.542 -3.286
49 3HD2 LEU 6 3HD2 LEU 6 5.033 0.405 -4.605
50 H ALA 7 H ALA 7 3.080 -1.538 -1.644
51 HA ALA 7 HA ALA 7 2.980 -3.302 0.540
52 1HB ALA 7 1HB ALA 7 1.030 -2.787 -0.821
53 2HB ALA 7 2HB ALA 7 1.309 -4.529 -0.776
54 3HB ALA 7 3HB ALA 7 1.773 -3.591 -2.199
55 H ASN 8 H ASN 8 3.702 -5.337 0.826
56 HA ASN 8 HA ASN 8 6.110 -6.018 -0.595
57 1HB ASN 8 2HB ASN 8 4.665 -7.445 1.642
58 2HB ASN 8 1HB ASN 8 6.253 -7.876 1.029
59 1HD2 ASN 8 1HD2 ASN 8 4.407 -5.555 2.827
60 2HD2 ASN 8 2HD2 ASN 8 5.758 -4.759 3.556
61 H THR 9 H THR 9 2.892 -7.339 -0.286
62 HA THR 9 HA THR 9 3.714 -9.459 -2.122
63 HB THR 9 HB THR 9 1.633 -10.678 -1.310
64 HG1 THR 9 1HG THR 9 1.675 -8.465 0.460
65 1HG2 THR 9 1HG2 THR 9 3.791 -10.057 0.707
66 2HG2 THR 9 2HG2 THR 9 3.889 -11.277 -0.563
67 3HG2 THR 9 3HG2 THR 9 2.719 -11.457 0.746
68 H TYR 10 H TYR 10 2.606 -6.656 -2.575
69 HA TYR 10 HA TYR 10 0.433 -7.437 -4.408
70 1HB TYR 10 2HB TYR 10 0.277 -5.374 -2.831
71 2HB TYR 10 1HB TYR 10 1.392 -4.611 -3.958
72 HD1 TYR 10 1HD TYR 10 -2.005 -5.483 -3.230
73 HD2 TYR 10 2HD TYR 10 0.592 -4.263 -6.377
74 HE1 TYR 10 1HE TYR 10 -3.948 -4.769 -4.534
75 HE2 TYR 10 2HE TYR 10 -1.365 -3.543 -7.703
76 HH TYR 10 HH TYR 10 -3.786 -4.040 -7.817
77 H ARG 11 H ARG 11 1.262 -8.126 -6.186
78 HA ARG 11 HA ARG 11 3.860 -7.147 -7.118
79 1HB ARG 11 2HB ARG 11 3.300 -9.619 -6.668
80 2HB ARG 11 1HB ARG 11 2.290 -9.535 -8.088
81 1HG ARG 11 2HG ARG 11 5.276 -9.087 -8.065
82 2HG ARG 11 1HG ARG 11 4.486 -10.602 -8.479
83 1HD ARG 11 2HD ARG 11 4.297 -7.982 -9.970
84 2HD ARG 11 1HD ARG 11 5.143 -9.441 -10.487
85 HE ARG 11 HE ARG 11 2.537 -10.192 -10.105
86 1HH1 ARG 11 1HH1 ARG 11 4.246 -7.904 -12.175
87 2HH1 ARG 11 2HH1 ARG 11 3.064 -7.915 -13.402
88 1HH2 ARG 11 1HH2 ARG 11 0.922 -10.217 -11.818
89 2HH2 ARG 11 2HH2 ARG 11 1.163 -9.230 -13.183
90 H GLY 12 H GLY 12 3.957 -5.888 -8.915
91 1HA GLY 12 2HA GLY 12 3.439 -5.461 -11.173
92 2HA GLY 12 1HA GLY 12 1.846 -6.148 -10.914
93 HA PRO 13 HA PRO 13 1.633 -1.488 -10.871
94 1HB PRO 13 2HB PRO 13 -0.235 -1.807 -13.109
95 2HB PRO 13 1HB PRO 13 1.231 -0.827 -13.013
96 1HG PRO 13 2HG PRO 13 1.100 -3.027 -14.555
97 2HG PRO 13 1HG PRO 13 2.591 -2.543 -13.727
98 1HD PRO 13 2HD PRO 13 0.574 -4.618 -12.915
99 2HD PRO 13 1HD PRO 13 2.351 -4.724 -12.924
100 H CYS 14 H CYS 14 0.019 -0.361 -10.015
101 HA CYS 14 HA CYS 14 -2.349 -1.823 -9.128
102 1HB CYS 14 2HB CYS 14 -0.980 -1.008 -7.318
103 2HB CYS 14 1HB CYS 14 -0.875 0.581 -8.062
104 H PHE 15 H PHE 15 -4.338 -0.943 -9.564
105 HA PHE 15 HA PHE 15 -4.338 1.541 -11.140
106 1HB PHE 15 2HB PHE 15 -6.130 -0.859 -11.592
107 2HB PHE 15 1HB PHE 15 -6.133 0.635 -12.518
108 HD1 PHE 15 1HD PHE 15 -4.124 1.199 -13.924
109 HD2 PHE 15 2HD PHE 15 -4.644 -2.612 -12.097
110 HE1 PHE 15 1HE PHE 15 -2.462 0.234 -15.458
111 HE2 PHE 15 2HE PHE 15 -2.980 -3.577 -13.625
112 HZ PHE 15 HZ PHE 15 -1.888 -2.158 -15.305
113 H THR 16 H THR 16 -5.300 0.229 -8.246
114 HA THR 16 HA THR 16 -7.525 2.063 -7.975
115 HB THR 16 HB THR 16 -7.970 -0.924 -7.637
116 HG1 THR 16 1HG THR 16 -8.285 0.817 -9.733
117 1HG2 THR 16 1HG2 THR 16 -9.314 0.446 -6.092
118 2HG2 THR 16 2HG2 THR 16 -10.320 -0.320 -7.317
119 3HG2 THR 16 3HG2 THR 16 -9.909 1.391 -7.460
120 H THR 17 H THR 17 -7.376 2.965 -5.972
121 HA THR 17 HA THR 17 -5.695 2.055 -3.928
122 HB THR 17 HB THR 17 -7.886 4.131 -4.020
123 HG1 THR 17 1HG THR 17 -6.283 5.129 -4.875
124 1HG2 THR 17 1HG2 THR 17 -6.056 3.517 -1.672
125 2HG2 THR 17 2HG2 THR 17 -7.809 3.385 -1.695
126 3HG2 THR 17 3HG2 THR 17 -7.046 4.968 -1.829
127 H GLY 18 H GLY 18 -9.091 1.565 -4.569
128 1HA GLY 18 2HA GLY 18 -9.847 0.407 -2.123
129 2HA GLY 18 1HA GLY 18 -10.630 0.106 -3.670
130 H SER 19 H SER 19 -7.945 -0.834 -4.689
131 HA SER 19 HA SER 19 -8.212 -3.591 -3.855
132 1HB SER 19 2HB SER 19 -7.906 -3.075 -6.256
133 2HB SER 19 1HB SER 19 -6.390 -2.264 -5.896
134 HG SER 19 HG SER 19 -5.470 -4.097 -6.062
135 H CYS 20 H CYS 20 -5.931 -0.935 -3.752
136 HA CYS 20 HA CYS 20 -3.803 -2.366 -2.596
137 1HB CYS 20 2HB CYS 20 -3.483 -0.275 -3.886
138 2HB CYS 20 1HB CYS 20 -4.302 0.615 -2.643
139 H ASP 21 H ASP 21 -6.201 -0.115 -1.111
140 HA ASP 21 HA ASP 21 -5.254 -0.263 1.529
141 1HB ASP 21 2HB ASP 21 -6.869 1.405 0.907
142 2HB ASP 21 1HB ASP 21 -8.054 0.180 0.465
143 H ASP 22 H ASP 22 -7.676 -2.125 -0.120
144 HA ASP 22 HA ASP 22 -8.570 -3.859 1.845
145 1HB ASP 22 2HB ASP 22 -9.517 -3.663 -0.405
146 2HB ASP 22 1HB ASP 22 -8.054 -4.347 -1.076
147 H HIS 23 H HIS 23 -5.889 -4.179 -0.373
148 HA HIS 23 HA HIS 23 -4.974 -6.692 0.514
149 1HB HIS 23 2HB HIS 23 -4.468 -5.917 -1.708
150 2HB HIS 23 1HB HIS 23 -3.652 -4.498 -1.075
151 HD1 HIS 23 1HD HIS 23 -3.187 -8.174 -1.612
152 HD2 HIS 23 2HD HIS 23 -1.034 -4.887 -0.285
153 HE1 HIS 23 1HE HIS 23 -0.828 -8.949 -1.405
154 HE2 HIS 23 2HE HIS 23 0.345 -7.005 -0.281
155 H CYS 24 H CYS 24 -3.766 -3.399 1.156
156 HA CYS 24 HA CYS 24 -1.643 -4.224 2.794
157 1HB CYS 24 2HB CYS 24 -3.093 -1.583 2.625
158 2HB CYS 24 1HB CYS 24 -1.607 -1.801 3.524
159 H LYS 25 H LYS 25 -5.015 -3.531 3.512
160 HA LYS 25 HA LYS 25 -4.560 -3.453 6.328
161 1HB LYS 25 2HB LYS 25 -6.663 -2.780 4.547
162 2HB LYS 25 1HB LYS 25 -7.296 -3.876 5.761
163 1HG LYS 25 2HG LYS 25 -5.773 -1.350 6.360
164 2HG LYS 25 1HG LYS 25 -7.530 -1.511 6.371
165 1HD LYS 25 2HD LYS 25 -7.412 -3.131 8.156
166 2HD LYS 25 1HD LYS 25 -5.647 -3.113 8.109
167 1HE LYS 25 2HE LYS 25 -6.539 -1.759 9.951
168 2HE LYS 25 1HE LYS 25 -5.631 -0.788 8.792
169 1HZ LYS 25 1HZ LYS 25 -7.681 0.296 9.460
170 2HZ LYS 25 2HZ LYS 25 -8.594 -0.997 8.929
171 3HZ LYS 25 3HZ LYS 25 -7.722 -0.060 7.823
172 H ASN 26 H ASN 26 -6.315 -5.741 4.195
173 HA ASN 26 HA ASN 26 -6.654 -7.440 6.464
174 1HB ASN 26 2HB ASN 26 -8.536 -7.227 5.073
175 2HB ASN 26 1HB ASN 26 -7.623 -7.602 3.624
176 1HD2 ASN 26 1HD2 ASN 26 -7.259 -9.706 3.106
177 2HD2 ASN 26 2HD2 ASN 26 -7.992 -11.030 3.930
178 H LYS 27 H LYS 27 -4.611 -7.493 3.590
179 HA LYS 27 HA LYS 27 -3.737 -10.141 4.380
180 1HB LYS 27 2HB LYS 27 -4.064 -9.479 1.881
181 2HB LYS 27 1HB LYS 27 -2.600 -8.549 2.070
182 1HG LYS 27 2HG LYS 27 -2.701 -11.509 2.613
183 2HG LYS 27 1HG LYS 27 -2.378 -10.847 1.018
184 1HD LYS 27 2HD LYS 27 -0.365 -9.788 1.815
185 2HD LYS 27 1HD LYS 27 -0.757 -10.206 3.481
186 1HE LYS 27 2HE LYS 27 0.967 -11.675 2.553
187 2HE LYS 27 1HE LYS 27 -0.489 -12.568 2.973
188 1HZ LYS 27 1HZ LYS 27 -1.096 -12.645 0.655
189 2HZ LYS 27 2HZ LYS 27 0.457 -13.224 0.832
190 3HZ LYS 27 3HZ LYS 27 0.199 -11.670 0.221
191 H GLU 28 H GLU 28 -2.250 -6.901 3.994
192 HA GLU 28 HA GLU 28 0.107 -8.051 5.215
193 1HB GLU 28 2HB GLU 28 -0.178 -5.330 3.939
194 2HB GLU 28 1HB GLU 28 1.332 -6.018 4.539
195 1HG GLU 28 2HG GLU 28 0.753 -8.015 3.011
196 2HG GLU 28 1HG GLU 28 -0.351 -6.913 2.245
197 H HIS 29 H HIS 29 -2.523 -6.427 6.222
198 HA HIS 29 HA HIS 29 -3.256 -5.747 8.157
199 1HB HIS 29 2HB HIS 29 -0.877 -7.272 9.191
200 2HB HIS 29 1HB HIS 29 -2.034 -6.510 10.276
201 HD1 HIS 29 1HD HIS 29 -4.303 -7.619 10.528
202 HD2 HIS 29 2HD HIS 29 -1.860 -9.511 7.766
203 HE1 HIS 29 1HE HIS 29 -5.403 -9.840 10.051
204 HE2 HIS 29 2HE HIS 29 -3.889 -10.977 8.411
205 H LEU 30 H LEU 30 -1.689 -3.894 6.752
206 HA LEU 30 HA LEU 30 -0.381 -2.381 8.877
207 1HB LEU 30 2HB LEU 30 -0.419 -1.948 5.890
208 2HB LEU 30 1HB LEU 30 0.430 -0.914 7.023
209 HG LEU 30 HG LEU 30 1.053 -3.830 6.500
210 1HD1 LEU 30 1HD1 LEU 30 3.150 -2.992 5.579
211 2HD1 LEU 30 2HD1 LEU 30 2.571 -1.337 5.778
212 3HD1 LEU 30 3HD1 LEU 30 1.748 -2.436 4.667
213 1HD2 LEU 30 1HD2 LEU 30 1.500 -3.253 8.815
214 2HD2 LEU 30 2HD2 LEU 30 2.427 -1.841 8.311
215 3HD2 LEU 30 3HD2 LEU 30 3.009 -3.461 7.928
216 H ARG 31 H ARG 31 -0.827 0.238 7.914
217 HA ARG 31 HA ARG 31 -3.261 0.753 9.245
218 1HB ARG 31 2HB ARG 31 -1.261 2.345 9.077
219 2HB ARG 31 1HB ARG 31 -1.725 2.578 7.453
220 1HG ARG 31 2HG ARG 31 -3.830 3.551 7.980
221 2HG ARG 31 1HG ARG 31 -3.611 3.214 9.694
222 1HD ARG 31 2HD ARG 31 -1.806 4.766 9.836
223 2HD ARG 31 1HD ARG 31 -1.777 4.968 8.085
224 HE ARG 31 HE ARG 31 -4.226 5.748 8.586
225 1HH1 ARG 31 1HH1 ARG 31 -1.420 6.516 10.598
226 2HH1 ARG 31 2HH1 ARG 31 -1.882 8.130 10.857
227 1HH2 ARG 31 1HH2 ARG 31 -4.867 7.918 8.955
228 2HH2 ARG 31 2HH2 ARG 31 -3.889 8.966 9.884
229 H SER 32 H SER 32 -2.384 1.397 5.863
230 HA SER 32 HA SER 32 -4.965 0.681 4.829
231 1HB SER 32 2HB SER 32 -4.042 3.568 4.608
232 2HB SER 32 1HB SER 32 -5.527 2.876 3.979
233 HG SER 32 HG SER 32 -5.614 2.285 6.441
234 H GLY 33 H GLY 33 -4.791 1.625 2.401
235 1HA GLY 33 2HA GLY 33 -2.044 1.563 1.504
236 2HA GLY 33 1HA GLY 33 -3.116 0.285 0.923
237 H ARG 34 H ARG 34 -1.769 2.616 -0.369
238 HA ARG 34 HA ARG 34 -4.150 3.580 -1.768
239 1HB ARG 34 2HB ARG 34 -1.976 5.272 -0.637
240 2HB ARG 34 1HB ARG 34 -2.897 5.770 -2.049
241 1HG ARG 34 2HG ARG 34 -4.885 5.654 -0.881
242 2HG ARG 34 1HG ARG 34 -4.111 5.051 0.599
243 1HD ARG 34 2HD ARG 34 -3.676 7.737 -0.726
244 2HD ARG 34 1HD ARG 34 -4.485 7.462 0.815
245 HE ARG 34 HE ARG 34 -1.912 6.370 0.948
246 1HH1 ARG 34 1HH1 ARG 34 -3.424 9.556 0.807
247 2HH1 ARG 34 2HH1 ARG 34 -2.134 10.347 1.586
248 1HH2 ARG 34 1HH2 ARG 34 -0.133 7.462 1.981
249 2HH2 ARG 34 2HH2 ARG 34 -0.233 9.143 2.225
250 H CYS 35 H CYS 35 -4.038 4.095 -3.690
251 HA CYS 35 HA CYS 35 -1.808 2.851 -5.112
252 1HB CYS 35 2HB CYS 35 -4.237 2.216 -5.412
253 2HB CYS 35 1HB CYS 35 -4.446 3.765 -6.217
254 H ARG 36 H ARG 36 -0.342 4.298 -5.591
255 HA ARG 36 HA ARG 36 -1.218 7.082 -5.750
256 1HB ARG 36 2HB ARG 36 1.490 5.961 -5.067
257 2HB ARG 36 1HB ARG 36 1.105 7.675 -5.178
258 1HG ARG 36 2HG ARG 36 -0.574 7.400 -3.394
259 2HG ARG 36 1HG ARG 36 -0.134 5.706 -3.273
260 1HD ARG 36 2HD ARG 36 0.934 7.101 -1.538
261 2HD ARG 36 1HD ARG 36 2.090 6.265 -2.568
262 HE ARG 36 HE ARG 36 1.580 8.839 -3.587
263 1HH1 ARG 36 1HH1 ARG 36 3.122 7.368 -0.767
264 2HH1 ARG 36 2HH1 ARG 36 4.413 8.487 -0.733
265 1HH2 ARG 36 1HH2 ARG 36 3.284 10.437 -3.459
266 2HH2 ARG 36 2HH2 ARG 36 4.473 10.284 -2.241
267 H ASP 37 H ASP 37 0.658 8.427 -6.926
268 HA ASP 37 HA ASP 37 0.183 8.159 -9.681
269 1HB ASP 37 2HB ASP 37 0.618 10.309 -8.616
270 2HB ASP 37 1HB ASP 37 2.241 9.800 -8.188
271 H ASP 38 H ASP 38 2.633 6.836 -7.711
272 HA ASP 38 HA ASP 38 4.560 6.184 -9.724
273 1HB ASP 38 2HB ASP 38 4.945 6.274 -7.205
274 2HB ASP 38 1HB ASP 38 4.080 4.748 -7.098
275 H PHE 39 H PHE 39 1.461 5.099 -9.187
276 HA PHE 39 HA PHE 39 0.121 3.477 -9.903
277 1HB PHE 39 2HB PHE 39 2.361 2.891 -11.862
278 2HB PHE 39 1HB PHE 39 0.795 2.104 -11.908
279 HD1 PHE 39 1HD PHE 39 2.644 4.935 -12.979
280 HD2 PHE 39 2HD PHE 39 -1.284 3.594 -12.066
281 HE1 PHE 39 1HE PHE 39 1.698 6.801 -14.289
282 HE2 PHE 39 2HE PHE 39 -2.227 5.450 -13.367
283 HZ PHE 39 HZ PHE 39 -0.736 7.055 -14.478
284 H ARG 40 H ARG 40 1.897 3.027 -7.786
285 HA ARG 40 HA ARG 40 1.772 0.108 -7.728
286 1HB ARG 40 2HB ARG 40 3.922 1.929 -6.665
287 2HB ARG 40 1HB ARG 40 3.699 0.277 -6.094
288 1HG ARG 40 2HG ARG 40 4.052 0.861 -9.009
289 2HG ARG 40 1HG ARG 40 5.437 0.708 -7.926
290 1HD ARG 40 2HD ARG 40 3.285 -1.387 -8.250
291 2HD ARG 40 1HD ARG 40 4.844 -1.419 -9.080
292 HE ARG 40 HE ARG 40 5.721 -1.253 -6.653
293 1HH1 ARG 40 1HH1 ARG 40 3.065 -3.347 -7.796
294 2HH1 ARG 40 2HH1 ARG 40 3.309 -4.481 -6.541
295 1HH2 ARG 40 1HH2 ARG 40 5.986 -2.889 -4.952
296 2HH2 ARG 40 2HH2 ARG 40 4.948 -4.228 -4.934
297 H CYS 41 H CYS 41 1.471 -0.765 -5.589
298 HA CYS 41 HA CYS 41 -0.447 0.749 -4.095
299 1HB CYS 41 2HB CYS 41 -0.917 -1.521 -4.662
300 2HB CYS 41 1HB CYS 41 0.592 -2.089 -3.958
301 H TRP 42 H TRP 42 0.155 1.954 -2.460
302 HA TRP 42 HA TRP 42 2.672 1.410 -1.060
303 1HB TRP 42 2HB TRP 42 1.064 3.944 -1.457
304 2HB TRP 42 1HB TRP 42 2.359 3.815 -0.284
305 HD1 TRP 42 HD TRP 42 1.809 3.700 -4.115
306 HE1 TRP 42 1HE TRP 42 4.014 4.499 -5.244
307 HE3 TRP 42 3HE TRP 42 4.754 4.220 0.046
308 HZ2 TRP 42 2HZ TRP 42 6.594 5.260 -4.466
309 HZ3 TRP 42 3HZ TRP 42 7.034 4.998 -0.221
310 HH2 TRP 42 HH TRP 42 7.957 5.512 -2.432
311 H CYS 43 H CYS 43 2.335 0.579 0.922
312 HA CYS 43 HA CYS 43 -0.288 0.806 2.172
313 1HB CYS 43 2HB CYS 43 2.163 -0.733 3.033
314 2HB CYS 43 1HB CYS 43 0.566 -0.831 3.762
315 H THR 44 H THR 44 -0.612 2.095 3.977
316 HA THR 44 HA THR 44 1.570 3.839 4.708
317 HB THR 44 HB THR 44 -1.317 3.814 5.660
318 HG1 THR 44 1HG THR 44 -0.175 5.165 3.391
319 1HG2 THR 44 1HG2 THR 44 -0.877 6.197 6.160
320 2HG2 THR 44 2HG2 THR 44 0.791 5.983 5.622
321 3HG2 THR 44 3HG2 THR 44 0.210 5.126 7.044
322 H ARG 45 H ARG 45 2.555 3.565 6.720
323 HA ARG 45 HA ARG 45 1.199 1.821 8.565
324 1HB ARG 45 2HB ARG 45 3.422 0.783 9.177
325 2HB ARG 45 1HB ARG 45 2.806 0.347 7.590
326 1HG ARG 45 2HG ARG 45 4.310 2.052 6.607
327 2HG ARG 45 1HG ARG 45 4.969 2.329 8.217
328 1HD ARG 45 2HD ARG 45 5.740 0.048 8.331
329 2HD ARG 45 1HD ARG 45 4.975 -0.317 6.784
330 HE ARG 45 HE ARG 45 6.869 1.840 6.672
331 1HH1 ARG 45 1HH1 ARG 45 6.545 -1.679 6.480
332 2HH1 ARG 45 2HH1 ARG 45 7.934 -1.868 5.518
333 1HH2 ARG 45 1HH2 ARG 45 8.761 1.552 5.403
334 2HH2 ARG 45 2HH2 ARG 45 9.238 -0.010 4.923
335 H ASN 46 H ASN 46 1.301 2.417 10.655
336 HA ASN 46 HA ASN 46 2.008 5.059 11.206
337 1HB ASN 46 2HB ASN 46 0.977 2.720 12.762
338 2HB ASN 46 1HB ASN 46 1.288 4.291 13.468
339 1HD2 ASN 46 1HD2 ASN 46 -1.187 2.722 13.080
340 2HD2 ASN 46 2HD2 ASN 46 -2.288 3.770 12.278
341 H CYS 47 H CYS 47 3.778 5.762 12.210
342 HA CYS 47 HA CYS 47 5.466 3.882 13.591
343 1HB CYS 47 2HB CYS 47 7.483 5.076 12.506
344 2HB CYS 47 1HB CYS 47 6.603 3.946 11.491