Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
16425 | 2a36 RC | 5925 | cing | 1-original | 15 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 1HT MET 1 -1.664 -11.351 -6.481
2 2H MET 1 2HT MET 1 -0.594 -10.709 -7.656
3 3H MET 1 3HT MET 1 -1.829 -9.724 -6.991
4 HA MET 1 HA MET 1 0.235 -10.940 -5.300
5 1HB MET 1 2HB MET 1 0.389 -8.340 -6.823
6 2HB MET 1 1HB MET 1 1.475 -8.812 -5.525
7 1HG MET 1 2HG MET 1 2.620 -10.261 -6.812
8 2HG MET 1 1HG MET 1 1.206 -10.722 -7.753
9 1HE MET 1 1HE MET 1 3.547 -10.430 -9.873
10 2HE MET 1 2HE MET 1 4.281 -10.062 -8.313
11 3HE MET 1 3HE MET 1 4.450 -8.930 -9.654
12 H GLU 2 H GLU 2 -0.008 -10.408 -3.221
13 HA GLU 2 HA GLU 2 -1.832 -8.192 -2.578
14 1HB GLU 2 2HB GLU 2 -1.977 -10.962 -1.371
15 2HB GLU 2 1HB GLU 2 -2.926 -9.573 -0.858
16 1HG GLU 2 2HG GLU 2 -4.469 -10.093 -2.339
17 2HG GLU 2 1HG GLU 2 -3.300 -9.815 -3.627
18 H ALA 3 H ALA 3 -1.409 -7.140 -0.590
19 HA ALA 3 HA ALA 3 0.849 -8.040 1.044
20 1HB ALA 3 1HB ALA 3 0.892 -5.842 -0.838
21 2HB ALA 3 2HB ALA 3 2.212 -6.577 0.066
22 3HB ALA 3 3HB ALA 3 1.241 -5.305 0.803
23 H ILE 4 H ILE 4 0.792 -7.286 3.185
24 HA ILE 4 HA ILE 4 -1.677 -5.883 3.956
25 HB ILE 4 HB ILE 4 -1.312 -8.150 4.965
26 1HG1 ILE 4 2HG1 ILE 4 -1.147 -6.443 7.338
27 2HG1 ILE 4 1HG1 ILE 4 -2.267 -5.841 6.122
28 1HG2 ILE 4 1HG2 ILE 4 0.432 -8.655 6.381
29 2HG2 ILE 4 2HG2 ILE 4 0.812 -6.960 6.688
30 3HG2 ILE 4 3HG2 ILE 4 1.230 -7.690 5.138
31 1HD1 ILE 4 1HD1 ILE 4 -2.566 -8.686 6.588
32 2HD1 ILE 4 2HD1 ILE 4 -3.771 -7.395 6.593
33 3HD1 ILE 4 3HD1 ILE 4 -2.816 -7.717 8.042
34 H ALA 5 H ALA 5 -1.400 -4.254 5.734
35 HA ALA 5 HA ALA 5 1.330 -3.191 5.885
36 1HB ALA 5 1HB ALA 5 0.275 -0.886 5.535
37 2HB ALA 5 2HB ALA 5 -1.120 -1.775 4.916
38 3HB ALA 5 3HB ALA 5 0.436 -1.922 4.120
39 H LYS 6 H LYS 6 1.671 -3.307 8.183
40 HA LYS 6 HA LYS 6 -0.579 -2.103 9.692
41 1HB LYS 6 2HB LYS 6 1.681 -3.574 10.991
42 2HB LYS 6 1HB LYS 6 0.045 -3.316 11.586
43 1HG LYS 6 2HG LYS 6 -0.304 -4.785 9.264
44 2HG LYS 6 1HG LYS 6 1.133 -5.486 10.015
45 1HD LYS 6 2HD LYS 6 -1.055 -4.916 11.876
46 2HD LYS 6 1HD LYS 6 -1.441 -6.126 10.653
47 1HE LYS 6 2HE LYS 6 0.166 -7.594 11.406
48 2HE LYS 6 1HE LYS 6 1.156 -6.315 12.105
49 1HZ LYS 6 1HZ LYS 6 0.216 -6.684 14.059
50 2HZ LYS 6 2HZ LYS 6 -0.696 -7.946 13.398
51 3HZ LYS 6 3HZ LYS 6 -1.324 -6.375 13.428
52 H HIS 7 H HIS 7 -0.081 -0.046 9.318
53 HA HIS 7 HA HIS 7 1.341 1.148 11.256
54 1HB HIS 7 2HB HIS 7 2.839 0.873 8.720
55 2HB HIS 7 1HB HIS 7 2.749 2.522 9.329
56 HD1 HIS 7 1HD HIS 7 2.728 0.976 12.354
57 HD2 HIS 7 2HD HIS 7 5.665 1.199 9.426
58 HE1 HIS 7 1HE HIS 7 4.885 0.515 13.538
59 HE2 HIS 7 2HE HIS 7 6.661 0.705 11.761
60 H ASP 8 H ASP 8 -0.063 3.065 11.532
61 HA ASP 8 HA ASP 8 -2.035 3.461 9.537
62 1HB ASP 8 2HB ASP 8 -1.118 5.493 11.598
63 2HB ASP 8 1HB ASP 8 -2.598 5.592 10.650
64 H PHE 9 H PHE 9 -2.192 5.337 8.005
65 HA PHE 9 HA PHE 9 0.086 7.002 7.610
66 1HB PHE 9 2HB PHE 9 0.893 4.808 6.643
67 2HB PHE 9 1HB PHE 9 -0.322 5.012 5.389
68 HD1 PHE 9 1HD PHE 9 2.570 6.719 6.968
69 HD2 PHE 9 2HD PHE 9 0.166 6.268 3.490
70 HE1 PHE 9 1HE PHE 9 4.126 8.154 5.723
71 HE2 PHE 9 2HE PHE 9 1.723 7.700 2.233
72 HZ PHE 9 HZ PHE 9 3.705 8.648 3.348
73 H SER 10 H SER 10 0.024 8.382 5.840
74 HA SER 10 HA SER 10 -2.377 8.449 4.261
75 1HB SER 10 2HB SER 10 -2.100 11.142 5.010
76 2HB SER 10 1HB SER 10 -3.428 10.050 5.399
77 HG SER 10 HG SER 10 -2.247 11.097 7.204
78 H ALA 11 H ALA 11 -1.483 8.348 2.345
79 HA ALA 11 HA ALA 11 0.738 8.788 1.098
80 1HB ALA 11 1HB ALA 11 -2.014 9.299 0.448
81 2HB ALA 11 2HB ALA 11 -0.730 8.651 -0.551
82 3HB ALA 11 3HB ALA 11 -0.950 10.388 -0.431
83 H THR 12 H THR 12 2.094 10.158 0.329
84 HA THR 12 HA THR 12 2.148 12.847 1.467
85 HB THR 12 HB THR 12 4.198 10.725 1.020
86 HG1 THR 12 1HG THR 12 3.395 12.461 2.977
87 1HG2 THR 12 1HG2 THR 12 4.721 13.510 0.183
88 2HG2 THR 12 2HG2 THR 12 5.551 12.011 -0.230
89 3HG2 THR 12 3HG2 THR 12 5.883 12.811 1.305
90 H ALA 13 H ALA 13 1.791 11.101 -1.406
91 HA ALA 13 HA ALA 13 2.231 13.527 -3.040
92 1HB ALA 13 1HB ALA 13 3.840 12.219 -4.021
93 2HB ALA 13 2HB ALA 13 2.437 11.617 -4.903
94 3HB ALA 13 3HB ALA 13 3.068 10.712 -3.527
95 H ASP 14 H ASP 14 0.617 13.782 -4.788
96 HA ASP 14 HA ASP 14 -1.984 13.302 -3.978
97 1HB ASP 14 2HB ASP 14 -0.669 14.569 -6.155
98 2HB ASP 14 1HB ASP 14 -1.910 13.518 -6.828
99 H ASP 15 H ASP 15 0.037 11.523 -6.236
100 HA ASP 15 HA ASP 15 -2.067 9.584 -6.777
101 1HB ASP 15 2HB ASP 15 -0.154 8.502 -8.135
102 2HB ASP 15 1HB ASP 15 -0.824 10.023 -8.713
103 H GLU 16 H GLU 16 -0.862 9.907 -4.032
104 HA GLU 16 HA GLU 16 0.290 7.229 -3.731
105 1HB GLU 16 2HB GLU 16 1.671 9.152 -2.941
106 2HB GLU 16 1HB GLU 16 0.397 9.577 -1.816
107 1HG GLU 16 2HG GLU 16 0.767 7.644 -0.518
108 2HG GLU 16 1HG GLU 16 1.714 6.885 -1.789
109 H LEU 17 H LEU 17 -0.440 6.328 -1.386
110 HA LEU 17 HA LEU 17 -3.350 6.808 -1.166
111 1HB LEU 17 2HB LEU 17 -2.293 4.738 -2.477
112 2HB LEU 17 1HB LEU 17 -2.278 4.077 -0.857
113 HG LEU 17 HG LEU 17 -4.828 5.093 -1.067
114 1HD1 LEU 17 1HD1 LEU 17 -4.692 5.516 -3.406
115 2HD1 LEU 17 2HD1 LEU 17 -5.653 4.052 -3.191
116 3HD1 LEU 17 3HD1 LEU 17 -3.970 3.934 -3.711
117 1HD2 LEU 17 1HD2 LEU 17 -5.391 2.621 -1.432
118 2HD2 LEU 17 2HD2 LEU 17 -4.454 3.046 -0.001
119 3HD2 LEU 17 3HD2 LEU 17 -3.648 2.357 -1.409
120 H SER 18 H SER 18 -4.107 6.972 0.854
121 HA SER 18 HA SER 18 -2.382 6.368 3.123
122 1HB SER 18 2HB SER 18 -4.021 7.512 4.475
123 2HB SER 18 1HB SER 18 -3.806 8.474 3.015
124 HG SER 18 HG SER 18 -5.909 6.652 3.572
125 H PHE 19 H PHE 19 -3.402 5.258 5.009
126 HA PHE 19 HA PHE 19 -5.551 3.478 4.671
127 1HB PHE 19 2HB PHE 19 -4.251 1.333 4.718
128 2HB PHE 19 1HB PHE 19 -4.106 2.219 3.203
129 HD1 PHE 19 1HD PHE 19 -2.382 1.561 6.417
130 HD2 PHE 19 2HD PHE 19 -2.009 2.812 2.367
131 HE1 PHE 19 1HE PHE 19 0.068 1.490 6.620
132 HE2 PHE 19 2HE PHE 19 0.441 2.751 2.573
133 HZ PHE 19 HZ PHE 19 1.482 2.088 4.700
134 H ARG 20 H ARG 20 -5.272 1.587 6.414
135 HA ARG 20 HA ARG 20 -4.444 2.970 8.878
136 1HB ARG 20 2HB ARG 20 -6.861 1.351 8.217
137 2HB ARG 20 1HB ARG 20 -6.251 1.315 9.867
138 1HG ARG 20 2HG ARG 20 -7.685 3.057 10.066
139 2HG ARG 20 1HG ARG 20 -6.262 3.947 9.519
140 1HD ARG 20 2HD ARG 20 -7.708 4.769 7.990
141 2HD ARG 20 1HD ARG 20 -7.326 3.272 7.145
142 HE ARG 20 HE ARG 20 -9.383 2.355 7.908
143 1HH1 ARG 20 1HH1 ARG 20 -9.028 5.768 8.608
144 2HH1 ARG 20 2HH1 ARG 20 -10.722 6.010 8.858
145 1HH2 ARG 20 1HH2 ARG 20 -11.592 2.681 8.249
146 2HH2 ARG 20 2HH2 ARG 20 -12.178 4.260 8.656
147 H LYS 21 H LYS 21 -3.926 1.412 10.759
148 HA LYS 21 HA LYS 21 -1.981 -0.460 9.898
149 1HB LYS 21 2HB LYS 21 -1.609 -0.860 12.184
150 2HB LYS 21 1HB LYS 21 -2.171 0.799 12.148
151 1HG LYS 21 2HG LYS 21 -4.516 -0.485 12.489
152 2HG LYS 21 1HG LYS 21 -3.418 -1.585 13.325
153 1HD LYS 21 2HD LYS 21 -2.745 0.064 14.845
154 2HD LYS 21 1HD LYS 21 -3.359 1.372 13.832
155 1HE LYS 21 2HE LYS 21 -5.387 1.248 14.747
156 2HE LYS 21 1HE LYS 21 -5.440 -0.503 14.563
157 1HZ LYS 21 1HZ LYS 21 -3.684 0.426 16.658
158 2HZ LYS 21 2HZ LYS 21 -4.827 -0.820 16.678
159 3HZ LYS 21 3HZ LYS 21 -5.318 0.781 16.920
160 H THR 22 H THR 22 -2.191 -2.613 9.471
161 HA THR 22 HA THR 22 -2.995 -4.710 9.367
162 HB THR 22 HB THR 22 -5.409 -3.819 10.930
163 HG1 THR 22 1HG THR 22 -3.245 -5.073 12.162
164 1HG2 THR 22 1HG2 THR 22 -5.042 -6.262 11.776
165 2HG2 THR 22 2HG2 THR 22 -4.233 -6.456 10.220
166 3HG2 THR 22 3HG2 THR 22 -5.923 -5.951 10.279
167 H GLN 23 H GLN 23 -4.155 -2.188 7.704
168 HA GLN 23 HA GLN 23 -6.605 -3.185 6.680
169 1HB GLN 23 2HB GLN 23 -4.729 -0.979 6.149
170 2HB GLN 23 1HB GLN 23 -5.637 -1.524 4.743
171 1HG GLN 23 2HG GLN 23 -7.067 -0.971 7.300
172 2HG GLN 23 1HG GLN 23 -6.580 0.364 6.261
173 1HE2 GLN 23 1HE2 GLN 23 -8.222 1.043 5.106
174 2HE2 GLN 23 2HE2 GLN 23 -9.412 0.052 4.339
175 H ILE 24 H ILE 24 -7.031 -4.172 4.668
176 HA ILE 24 HA ILE 24 -4.874 -5.822 3.616
177 HB ILE 24 HB ILE 24 -7.861 -5.734 3.173
178 1HG1 ILE 24 2HG1 ILE 24 -6.953 -8.289 3.931
179 2HG1 ILE 24 1HG1 ILE 24 -6.108 -7.142 4.961
180 1HG2 ILE 24 1HG2 ILE 24 -6.801 -8.086 2.012
181 2HG2 ILE 24 2HG2 ILE 24 -5.937 -6.714 1.331
182 3HG2 ILE 24 3HG2 ILE 24 -7.688 -6.781 1.231
183 1HD1 ILE 24 1HD1 ILE 24 -7.929 -7.272 6.236
184 2HD1 ILE 24 2HD1 ILE 24 -8.912 -7.938 4.933
185 3HD1 ILE 24 3HD1 ILE 24 -8.658 -6.196 5.044
186 H LEU 25 H LEU 25 -3.583 -4.811 2.095
187 HA LEU 25 HA LEU 25 -4.981 -3.059 0.195
188 1HB LEU 25 2HB LEU 25 -2.012 -3.047 0.614
189 2HB LEU 25 1HB LEU 25 -3.007 -1.830 -0.162
190 HG LEU 25 HG LEU 25 -3.272 -2.464 2.768
191 1HD1 LEU 25 1HD1 LEU 25 -1.287 -0.731 1.360
192 2HD1 LEU 25 2HD1 LEU 25 -1.058 -1.818 2.733
193 3HD1 LEU 25 3HD1 LEU 25 -1.888 -0.277 2.956
194 1HD2 LEU 25 1HD2 LEU 25 -3.872 0.147 2.441
195 2HD2 LEU 25 2HD2 LEU 25 -5.061 -1.153 2.368
196 3HD2 LEU 25 3HD2 LEU 25 -4.381 -0.495 0.879
197 H LYS 26 H LYS 26 -4.814 -3.253 -1.944
198 HA LYS 26 HA LYS 26 -4.029 -5.828 -2.999
199 1HB LYS 26 2HB LYS 26 -5.520 -3.423 -3.906
200 2HB LYS 26 1HB LYS 26 -4.783 -4.416 -5.153
201 1HG LYS 26 2HG LYS 26 -6.443 -5.717 -3.052
202 2HG LYS 26 1HG LYS 26 -7.231 -4.856 -4.376
203 1HD LYS 26 2HD LYS 26 -7.084 -6.933 -5.314
204 2HD LYS 26 1HD LYS 26 -5.530 -6.273 -5.828
205 1HE LYS 26 2HE LYS 26 -4.395 -7.389 -4.033
206 2HE LYS 26 1HE LYS 26 -5.926 -7.908 -3.326
207 1HZ LYS 26 1HZ LYS 26 -6.130 -9.584 -4.794
208 2HZ LYS 26 2HZ LYS 26 -4.453 -9.435 -4.923
209 3HZ LYS 26 3HZ LYS 26 -5.453 -8.714 -6.077
210 H ILE 27 H ILE 27 -1.792 -5.946 -3.108
211 HA ILE 27 HA ILE 27 -0.211 -3.770 -4.123
212 HB ILE 27 HB ILE 27 0.318 -6.048 -2.628
213 1HG1 ILE 27 2HG1 ILE 27 1.342 -3.754 -2.544
214 2HG1 ILE 27 1HG1 ILE 27 2.464 -5.087 -2.301
215 1HG2 ILE 27 1HG2 ILE 27 0.844 -6.834 -5.243
216 2HG2 ILE 27 2HG2 ILE 27 1.370 -7.617 -3.764
217 3HG2 ILE 27 3HG2 ILE 27 2.414 -6.442 -4.556
218 1HD1 ILE 27 1HD1 ILE 27 2.427 -4.516 -5.064
219 2HD1 ILE 27 2HD1 ILE 27 3.737 -4.276 -3.908
220 3HD1 ILE 27 3HD1 ILE 27 2.573 -2.984 -4.202
221 H LEU 28 H LEU 28 0.283 -3.357 -6.240
222 HA LEU 28 HA LEU 28 -0.142 -5.506 -8.184
223 1HB LEU 28 2HB LEU 28 -1.527 -3.975 -9.581
224 2HB LEU 28 1HB LEU 28 -2.280 -4.517 -8.093
225 HG LEU 28 HG LEU 28 -1.288 -2.242 -7.173
226 1HD1 LEU 28 1HD1 LEU 28 -2.017 -1.065 -9.728
227 2HD1 LEU 28 2HD1 LEU 28 -0.550 -2.037 -9.819
228 3HD1 LEU 28 3HD1 LEU 28 -0.659 -0.712 -8.665
229 1HD2 LEU 28 1HD2 LEU 28 -3.426 -1.572 -7.078
230 2HD2 LEU 28 2HD2 LEU 28 -3.758 -3.166 -7.754
231 3HD2 LEU 28 3HD2 LEU 28 -3.673 -1.759 -8.814
232 H ASN 29 H ASN 29 1.460 -2.440 -7.461
233 HA ASN 29 HA ASN 29 3.192 -3.042 -9.715
234 1HB ASN 29 2HB ASN 29 1.558 -1.643 -10.806
235 2HB ASN 29 1HB ASN 29 1.659 -0.449 -9.521
236 1HD2 ASN 29 1HD2 ASN 29 3.708 0.673 -9.270
237 2HD2 ASN 29 2HD2 ASN 29 4.633 1.012 -10.682
238 H MET 30 H MET 30 4.875 -3.241 -8.877
239 HA MET 30 HA MET 30 6.194 -1.238 -7.167
240 1HB MET 30 2HB MET 30 7.451 -3.314 -6.317
241 2HB MET 30 1HB MET 30 5.909 -2.849 -5.615
242 1HG MET 30 2HG MET 30 4.979 -4.782 -6.169
243 2HG MET 30 1HG MET 30 5.530 -4.650 -7.836
244 1HE MET 30 1HE MET 30 5.257 -7.055 -7.611
245 2HE MET 30 2HE MET 30 6.416 -8.185 -6.909
246 3HE MET 30 3HE MET 30 6.805 -7.338 -8.406
247 H GLU 31 H GLU 31 8.102 -0.617 -8.009
248 HA GLU 31 HA GLU 31 10.103 -1.945 -8.743
249 1HB GLU 31 2HB GLU 31 8.525 -3.068 -10.545
250 2HB GLU 31 1HB GLU 31 9.195 -1.797 -11.544
251 1HG GLU 31 2HG GLU 31 11.323 -2.638 -11.435
252 2HG GLU 31 1HG GLU 31 11.027 -3.485 -9.916
253 H ASP 32 H ASP 32 8.511 0.638 -10.436
254 HA ASP 32 HA ASP 32 10.972 1.860 -11.234
255 1HB ASP 32 2HB ASP 32 8.192 3.056 -11.053
256 2HB ASP 32 1HB ASP 32 9.580 3.816 -11.829
257 H ASP 33 H ASP 33 9.314 1.526 -8.387
258 HA ASP 33 HA ASP 33 10.889 3.635 -7.137
259 1HB ASP 33 2HB ASP 33 8.175 3.939 -7.606
260 2HB ASP 33 1HB ASP 33 8.238 3.375 -5.938
261 H SER 34 H SER 34 12.205 1.868 -6.373
262 HA SER 34 HA SER 34 11.235 -0.404 -5.082
263 1HB SER 34 2HB SER 34 13.871 1.047 -4.922
264 2HB SER 34 1HB SER 34 13.569 -0.446 -4.036
265 HG SER 34 HG SER 34 12.782 -0.810 -6.547
266 H ASN 35 H ASN 35 10.100 2.281 -4.038
267 HA ASN 35 HA ASN 35 10.499 1.594 -1.193
268 1HB ASN 35 2HB ASN 35 11.916 3.561 -2.265
269 2HB ASN 35 1HB ASN 35 10.436 4.459 -1.946
270 1HD2 ASN 35 1HD2 ASN 35 13.249 4.312 -0.768
271 2HD2 ASN 35 2HD2 ASN 35 12.970 4.248 0.936
272 H TRP 36 H TRP 36 8.524 3.061 -3.672
273 HA TRP 36 HA TRP 36 6.276 3.043 -1.778
274 1HB TRP 36 2HB TRP 36 6.673 5.011 -4.044
275 2HB TRP 36 1HB TRP 36 5.337 4.995 -2.894
276 HD1 TRP 36 HD TRP 36 9.078 5.820 -3.125
277 HE1 TRP 36 1HE TRP 36 9.730 7.295 -1.123
278 HE3 TRP 36 3HE TRP 36 4.677 5.650 -0.499
279 HZ2 TRP 36 2HZ TRP 36 8.547 8.246 1.255
280 HZ3 TRP 36 3HZ TRP 36 4.541 6.887 1.633
281 HH2 TRP 36 HH TRP 36 6.433 8.156 2.481
282 H TYR 37 H TYR 37 4.822 1.553 -2.354
283 HA TYR 37 HA TYR 37 4.926 0.471 -5.053
284 1HB TYR 37 2HB TYR 37 3.395 -0.558 -2.665
285 2HB TYR 37 1HB TYR 37 3.701 -1.411 -4.170
286 HD1 TYR 37 1HD TYR 37 6.702 0.025 -3.881
287 HD2 TYR 37 2HD TYR 37 4.311 -2.751 -1.718
288 HE1 TYR 37 1HE TYR 37 8.733 -0.961 -2.911
289 HE2 TYR 37 2HE TYR 37 6.338 -3.744 -0.742
290 HH TYR 37 HH TYR 37 8.610 -3.280 -0.338
291 H ARG 38 H ARG 38 3.065 0.051 -6.304
292 HA ARG 38 HA ARG 38 0.945 2.026 -5.858
293 1HB ARG 38 2HB ARG 38 2.257 0.984 -8.231
294 2HB ARG 38 1HB ARG 38 0.523 0.740 -8.340
295 1HG ARG 38 2HG ARG 38 0.065 3.013 -8.267
296 2HG ARG 38 1HG ARG 38 1.634 3.396 -7.578
297 1HD ARG 38 2HD ARG 38 2.599 2.527 -9.794
298 2HD ARG 38 1HD ARG 38 0.952 2.679 -10.408
299 HE ARG 38 HE ARG 38 1.300 5.102 -9.411
300 1HH1 ARG 38 1HH1 ARG 38 3.486 3.187 -11.356
301 2HH1 ARG 38 2HH1 ARG 38 4.276 4.567 -12.038
302 1HH2 ARG 38 1HH2 ARG 38 2.342 6.907 -10.313
303 2HH2 ARG 38 2HH2 ARG 38 3.630 6.673 -11.449
304 H ALA 39 H ALA 39 -0.545 1.185 -4.587
305 HA ALA 39 HA ALA 39 -1.398 -1.590 -5.047
306 1HB ALA 39 1HB ALA 39 -2.410 -1.099 -2.627
307 2HB ALA 39 2HB ALA 39 -1.075 0.049 -2.595
308 3HB ALA 39 3HB ALA 39 -0.758 -1.665 -2.859
309 H GLU 40 H GLU 40 -3.735 -1.947 -4.302
310 HA GLU 40 HA GLU 40 -5.372 0.268 -5.345
311 1HB GLU 40 2HB GLU 40 -5.147 -2.437 -6.296
312 2HB GLU 40 1HB GLU 40 -6.791 -2.141 -5.752
313 1HG GLU 40 2HG GLU 40 -6.059 0.116 -7.239
314 2HG GLU 40 1HG GLU 40 -5.484 -1.278 -8.151
315 H LEU 41 H LEU 41 -7.418 0.587 -4.430
316 HA LEU 41 HA LEU 41 -8.308 -1.028 -2.201
317 1HB LEU 41 2HB LEU 41 -6.499 0.666 -1.440
318 2HB LEU 41 1HB LEU 41 -7.729 1.882 -1.713
319 HG LEU 41 HG LEU 41 -9.167 0.379 -0.117
320 1HD1 LEU 41 1HD1 LEU 41 -6.559 -0.862 0.011
321 2HD1 LEU 41 2HD1 LEU 41 -8.099 -1.405 0.675
322 3HD1 LEU 41 3HD1 LEU 41 -7.083 -0.293 1.594
323 1HD2 LEU 41 1HD2 LEU 41 -7.347 1.645 1.660
324 2HD2 LEU 41 2HD2 LEU 41 -8.928 2.207 1.115
325 3HD2 LEU 41 3HD2 LEU 41 -7.478 2.638 0.207
326 H ASP 42 H ASP 42 -10.467 -1.054 -2.266
327 HA ASP 42 HA ASP 42 -12.623 -0.538 -2.773
328 1HB ASP 42 2HB ASP 42 -11.374 2.065 -2.181
329 2HB ASP 42 1HB ASP 42 -12.837 2.160 -3.156
330 H GLY 43 H GLY 43 -11.186 2.143 -4.588
331 1HA GLY 43 2HA GLY 43 -11.409 0.730 -7.108
332 2HA GLY 43 1HA GLY 43 -12.580 2.025 -6.888
333 H LYS 44 H LYS 44 -9.331 2.176 -5.547
334 HA LYS 44 HA LYS 44 -8.595 4.167 -7.592
335 1HB LYS 44 2HB LYS 44 -9.474 4.831 -5.135
336 2HB LYS 44 1HB LYS 44 -7.773 4.591 -4.772
337 1HG LYS 44 2HG LYS 44 -7.515 6.139 -6.925
338 2HG LYS 44 1HG LYS 44 -9.100 6.689 -6.372
339 1HD LYS 44 2HD LYS 44 -7.210 6.436 -4.182
340 2HD LYS 44 1HD LYS 44 -6.631 7.541 -5.431
341 1HE LYS 44 2HE LYS 44 -8.304 9.041 -5.073
342 2HE LYS 44 1HE LYS 44 -9.461 7.804 -4.588
343 1HZ LYS 44 1HZ LYS 44 -8.107 9.500 -2.926
344 2HZ LYS 44 2HZ LYS 44 -7.296 8.028 -2.738
345 3HZ LYS 44 3HZ LYS 44 -8.963 8.116 -2.460
346 H GLU 45 H GLU 45 -6.443 4.212 -8.161
347 HA GLU 45 HA GLU 45 -4.718 2.146 -6.977
348 1HB GLU 45 2HB GLU 45 -4.717 1.963 -9.359
349 2HB GLU 45 1HB GLU 45 -4.569 3.701 -9.569
350 1HG GLU 45 2HG GLU 45 -2.320 2.660 -8.089
351 2HG GLU 45 1HG GLU 45 -2.516 1.805 -9.616
352 H GLY 46 H GLY 46 -2.656 2.771 -6.023
353 1HA GLY 46 2HA GLY 46 -1.790 5.475 -6.131
354 2HA GLY 46 1HA GLY 46 -2.724 5.207 -4.675
355 H LEU 47 H LEU 47 0.150 5.841 -5.282
356 HA LEU 47 HA LEU 47 1.774 3.692 -4.593
357 1HB LEU 47 2HB LEU 47 2.065 6.657 -4.559
358 2HB LEU 47 1HB LEU 47 3.303 5.683 -3.790
359 HG LEU 47 HG LEU 47 4.060 6.139 -5.991
360 1HD1 LEU 47 1HD1 LEU 47 3.857 3.623 -5.034
361 2HD1 LEU 47 2HD1 LEU 47 4.703 4.052 -6.520
362 3HD1 LEU 47 3HD1 LEU 47 3.052 3.445 -6.589
363 1HD2 LEU 47 1HD2 LEU 47 2.101 4.902 -7.642
364 2HD2 LEU 47 2HD2 LEU 47 2.673 6.562 -7.668
365 3HD2 LEU 47 3HD2 LEU 47 1.314 6.116 -6.646
366 H ILE 48 H ILE 48 2.757 3.157 -2.549
367 HA ILE 48 HA ILE 48 1.635 4.444 -0.167
368 HB ILE 48 HB ILE 48 1.115 2.254 0.879
369 1HG1 ILE 48 2HG1 ILE 48 0.598 0.627 -1.320
370 2HG1 ILE 48 1HG1 ILE 48 2.197 1.294 -1.640
371 1HG2 ILE 48 1HG2 ILE 48 -1.000 2.611 0.324
372 2HG2 ILE 48 2HG2 ILE 48 -0.717 2.129 -1.348
373 3HG2 ILE 48 3HG2 ILE 48 -0.410 3.789 -0.843
374 1HD1 ILE 48 1HD1 ILE 48 2.177 0.516 1.060
375 2HD1 ILE 48 2HD1 ILE 48 3.051 -0.223 -0.283
376 3HD1 ILE 48 3HD1 ILE 48 1.438 -0.795 0.140
377 HA PRO 49 HA PRO 49 5.764 4.162 1.481
378 1HB PRO 49 2HB PRO 49 4.890 3.550 4.085
379 2HB PRO 49 1HB PRO 49 5.320 5.133 3.444
380 1HG PRO 49 2HG PRO 49 2.641 3.880 3.744
381 2HG PRO 49 1HG PRO 49 3.119 5.575 3.893
382 1HD PRO 49 2HD PRO 49 1.811 4.694 1.727
383 2HD PRO 49 1HD PRO 49 3.092 5.908 1.572
384 H SER 50 H SER 50 7.044 2.452 1.356
385 HA SER 50 HA SER 50 6.021 -0.240 1.340
386 1HB SER 50 2HB SER 50 7.746 -0.220 -0.131
387 2HB SER 50 1HB SER 50 8.567 1.099 0.698
388 HG SER 50 HG SER 50 9.650 -0.289 1.882
389 H ASN 51 H ASN 51 7.918 1.654 3.607
390 HA ASN 51 HA ASN 51 8.676 -0.486 5.253
391 1HB ASN 51 2HB ASN 51 8.875 2.402 5.271
392 2HB ASN 51 1HB ASN 51 8.618 1.765 6.892
393 1HD2 ASN 51 1HD2 ASN 51 10.345 1.146 7.959
394 2HD2 ASN 51 2HD2 ASN 51 11.876 0.739 7.270
395 H TYR 52 H TYR 52 5.600 0.984 4.997
396 HA TYR 52 HA TYR 52 4.855 0.319 7.752
397 1HB TYR 52 2HB TYR 52 3.510 1.811 5.509
398 2HB TYR 52 1HB TYR 52 2.619 1.317 6.942
399 HD1 TYR 52 1HD TYR 52 2.115 3.687 7.370
400 HD2 TYR 52 2HD TYR 52 6.119 2.260 7.355
401 HE1 TYR 52 1HE TYR 52 2.837 5.723 8.540
402 HE2 TYR 52 2HE TYR 52 6.854 4.292 8.527
403 HH TYR 52 HH TYR 52 4.875 7.036 8.864
404 H ILE 53 H ILE 53 5.120 -1.387 4.961
405 HA ILE 53 HA ILE 53 3.048 -3.214 5.858
406 HB ILE 53 HB ILE 53 1.747 -3.054 4.037
407 1HG1 ILE 53 2HG1 ILE 53 3.394 -4.416 2.739
408 2HG1 ILE 53 1HG1 ILE 53 2.454 -3.304 1.758
409 1HG2 ILE 53 1HG2 ILE 53 2.695 -0.595 4.398
410 2HG2 ILE 53 2HG2 ILE 53 1.553 -0.980 3.121
411 3HG2 ILE 53 3HG2 ILE 53 3.272 -0.860 2.756
412 1HD1 ILE 53 1HD1 ILE 53 4.459 -2.834 0.876
413 2HD1 ILE 53 2HD1 ILE 53 5.339 -3.354 2.312
414 3HD1 ILE 53 3HD1 ILE 53 4.587 -1.761 2.267
415 H GLU 54 H GLU 54 3.236 -5.365 4.839
416 HA GLU 54 HA GLU 54 5.839 -6.124 3.732
417 1HB GLU 54 2HB GLU 54 4.625 -7.201 6.276
418 2HB GLU 54 1HB GLU 54 5.810 -8.105 5.345
419 1HG GLU 54 2HG GLU 54 6.864 -5.521 5.711
420 2HG GLU 54 1HG GLU 54 6.215 -6.037 7.266
421 H MET 55 H MET 55 5.754 -8.199 2.622
422 HA MET 55 HA MET 55 3.266 -8.734 1.383
423 1HB MET 55 2HB MET 55 5.986 -9.928 1.291
424 2HB MET 55 1HB MET 55 4.657 -10.900 0.679
425 1HG MET 55 2HG MET 55 5.607 -9.722 -1.148
426 2HG MET 55 1HG MET 55 4.037 -9.002 -0.802
427 1HE MET 55 1HE MET 55 7.708 -8.797 -0.962
428 2HE MET 55 2HE MET 55 8.090 -7.078 -0.843
429 3HE MET 55 3HE MET 55 7.177 -7.684 -2.225
430 H LYS 56 H LYS 56 1.626 -9.981 1.934
431 HA LYS 56 HA LYS 56 1.122 -12.345 2.595
432 1HB LYS 56 2HB LYS 56 1.368 -12.883 4.972
433 2HB LYS 56 1HB LYS 56 2.936 -12.513 4.276
434 1HG LYS 56 2HG LYS 56 2.833 -10.267 5.249
435 2HG LYS 56 1HG LYS 56 1.255 -10.646 5.942
436 1HD LYS 56 2HD LYS 56 2.281 -12.474 7.230
437 2HD LYS 56 1HD LYS 56 3.857 -12.040 6.568
438 1HE LYS 56 2HE LYS 56 4.076 -10.718 8.351
439 2HE LYS 56 1HE LYS 56 2.921 -9.651 7.556
440 1HZ LYS 56 1HZ LYS 56 1.705 -9.936 9.387
441 2HZ LYS 56 2HZ LYS 56 2.592 -11.282 9.898
442 3HZ LYS 56 3HZ LYS 56 1.334 -11.472 8.783
443 H ASN 57 H ASN 57 -0.311 -10.340 1.801
444 HA ASN 57 HA ASN 57 -2.048 -9.031 3.595
445 1HB ASN 57 2HB ASN 57 -1.710 -8.571 1.159
446 2HB ASN 57 1HB ASN 57 -2.630 -10.023 0.812
447 1HD2 ASN 57 1HD2 ASN 57 -2.936 -6.976 0.521
448 2HD2 ASN 57 2HD2 ASN 57 -4.564 -6.705 0.998
449 H HIS 58 H HIS 58 -2.616 -11.942 1.576
450 HA HIS 58 HA HIS 58 -3.939 -13.787 1.887
451 1HB HIS 58 2HB HIS 58 -2.743 -13.757 4.133
452 2HB HIS 58 1HB HIS 58 -4.134 -12.895 4.781
453 HD1 HIS 58 1HD HIS 58 -3.503 -16.163 2.925
454 HD2 HIS 58 2HD HIS 58 -5.972 -14.555 5.852
455 HE1 HIS 58 1HE HIS 58 -4.947 -18.068 3.705
456 HE2 HIS 58 2HE HIS 58 -6.541 -17.028 5.359
457 H ASP 59 H ASP 59 -6.008 -13.145 4.383
458 HA ASP 59 HA ASP 59 -8.147 -12.508 2.581
459 1HB ASP 59 2HB ASP 59 -8.147 -12.862 5.589
460 2HB ASP 59 1HB ASP 59 -9.583 -12.740 4.576
Start of MODEL 2
1 1H MET 1 1HT MET 1 -0.659 -11.051 -4.168
2 2H MET 1 2HT MET 1 -0.244 -9.490 -4.749
3 3H MET 1 3HT MET 1 -0.505 -10.778 -5.851
4 HA MET 1 HA MET 1 -2.339 -9.270 -5.773
5 1HB MET 1 2HB MET 1 -2.337 -12.005 -5.759
6 2HB MET 1 1HB MET 1 -3.474 -11.648 -4.466
7 1HG MET 1 2HG MET 1 -4.930 -11.697 -6.187
8 2HG MET 1 1HG MET 1 -4.451 -10.004 -6.305
9 1HE MET 1 1HE MET 1 -4.238 -13.578 -7.955
10 2HE MET 1 2HE MET 1 -2.645 -13.339 -7.237
11 3HE MET 1 3HE MET 1 -2.824 -13.383 -8.991
12 H GLU 2 H GLU 2 -1.527 -10.604 -2.700
13 HA GLU 2 HA GLU 2 -3.104 -8.467 -1.472
14 1HB GLU 2 2HB GLU 2 -3.147 -11.365 -0.698
15 2HB GLU 2 1HB GLU 2 -3.592 -10.100 0.438
16 1HG GLU 2 2HG GLU 2 -5.467 -9.486 -0.781
17 2HG GLU 2 1HG GLU 2 -4.879 -10.250 -2.257
18 H ALA 3 H ALA 3 -2.244 -7.471 0.235
19 HA ALA 3 HA ALA 3 0.208 -8.354 1.474
20 1HB ALA 3 1HB ALA 3 1.386 -6.321 1.040
21 2HB ALA 3 2HB ALA 3 -0.017 -5.640 0.216
22 3HB ALA 3 3HB ALA 3 0.854 -6.997 -0.498
23 H ILE 4 H ILE 4 0.487 -7.576 3.571
24 HA ILE 4 HA ILE 4 -1.814 -6.054 4.599
25 HB ILE 4 HB ILE 4 -1.449 -8.316 5.562
26 1HG1 ILE 4 2HG1 ILE 4 -0.881 -6.858 7.972
27 2HG1 ILE 4 1HG1 ILE 4 -1.906 -5.882 6.928
28 1HG2 ILE 4 1HG2 ILE 4 1.061 -7.173 6.765
29 2HG2 ILE 4 2HG2 ILE 4 1.035 -8.247 5.366
30 3HG2 ILE 4 3HG2 ILE 4 0.441 -8.815 6.926
31 1HD1 ILE 4 1HD1 ILE 4 -3.486 -7.758 6.772
32 2HD1 ILE 4 2HD1 ILE 4 -3.261 -7.183 8.423
33 3HD1 ILE 4 3HD1 ILE 4 -2.476 -8.670 7.893
34 H ALA 5 H ALA 5 -1.342 -4.317 6.155
35 HA ALA 5 HA ALA 5 1.456 -3.512 6.307
36 1HB ALA 5 1HB ALA 5 1.201 -1.419 5.321
37 2HB ALA 5 2HB ALA 5 -0.553 -1.464 5.472
38 3HB ALA 5 3HB ALA 5 0.251 -2.476 4.277
39 H LYS 6 H LYS 6 1.790 -3.257 8.478
40 HA LYS 6 HA LYS 6 -0.417 -1.873 9.884
41 1HB LYS 6 2HB LYS 6 0.590 -4.246 10.554
42 2HB LYS 6 1HB LYS 6 1.754 -3.230 11.391
43 1HG LYS 6 2HG LYS 6 0.301 -2.665 12.983
44 2HG LYS 6 1HG LYS 6 -1.033 -2.484 11.842
45 1HD LYS 6 2HD LYS 6 -1.837 -4.480 12.403
46 2HD LYS 6 1HD LYS 6 -0.301 -5.244 12.008
47 1HE LYS 6 2HE LYS 6 -0.555 -5.802 14.234
48 2HE LYS 6 1HE LYS 6 0.444 -4.353 14.332
49 1HZ LYS 6 1HZ LYS 6 -1.221 -4.043 15.912
50 2HZ LYS 6 2HZ LYS 6 -2.442 -4.636 14.905
51 3HZ LYS 6 3HZ LYS 6 -1.751 -3.126 14.595
52 H HIS 7 H HIS 7 0.116 0.149 9.422
53 HA HIS 7 HA HIS 7 1.593 1.413 11.293
54 1HB HIS 7 2HB HIS 7 2.958 1.156 8.647
55 2HB HIS 7 1HB HIS 7 3.038 2.727 9.430
56 HD1 HIS 7 1HD HIS 7 3.139 1.104 12.334
57 HD2 HIS 7 2HD HIS 7 5.774 0.940 9.125
58 HE1 HIS 7 1HE HIS 7 5.318 0.303 13.295
59 HE2 HIS 7 2HE HIS 7 6.912 0.261 11.345
60 H ASP 8 H ASP 8 0.139 3.253 11.569
61 HA ASP 8 HA ASP 8 -1.841 3.660 9.594
62 1HB ASP 8 2HB ASP 8 -2.273 5.875 10.742
63 2HB ASP 8 1HB ASP 8 -2.334 4.472 11.806
64 H PHE 9 H PHE 9 -2.058 5.564 8.116
65 HA PHE 9 HA PHE 9 0.169 7.286 7.735
66 1HB PHE 9 2HB PHE 9 1.024 5.147 6.659
67 2HB PHE 9 1HB PHE 9 -0.195 5.404 5.417
68 HD1 PHE 9 1HD PHE 9 2.392 7.408 7.209
69 HD2 PHE 9 2HD PHE 9 0.546 6.436 3.500
70 HE1 PHE 9 1HE PHE 9 3.914 8.955 6.054
71 HE2 PHE 9 2HE PHE 9 2.070 7.980 2.336
72 HZ PHE 9 HZ PHE 9 3.756 9.243 3.614
73 H SER 10 H SER 10 0.055 8.696 5.980
74 HA SER 10 HA SER 10 -2.437 8.813 4.517
75 1HB SER 10 2HB SER 10 -1.563 10.913 6.471
76 2HB SER 10 1HB SER 10 -2.491 11.368 5.044
77 HG SER 10 HG SER 10 -3.246 9.747 7.215
78 H ALA 11 H ALA 11 -1.593 8.634 2.562
79 HA ALA 11 HA ALA 11 0.612 8.969 1.246
80 1HB ALA 11 1HB ALA 11 -1.985 10.298 0.519
81 2HB ALA 11 2HB ALA 11 -1.421 8.701 0.033
82 3HB ALA 11 3HB ALA 11 -0.626 10.148 -0.591
83 H THR 12 H THR 12 1.987 10.269 0.385
84 HA THR 12 HA THR 12 2.187 12.958 1.521
85 HB THR 12 HB THR 12 4.093 10.763 1.121
86 HG1 THR 12 1HG THR 12 4.843 11.622 2.894
87 1HG2 THR 12 1HG2 THR 12 4.937 13.496 0.137
88 2HG2 THR 12 2HG2 THR 12 4.924 11.989 -0.779
89 3HG2 THR 12 3HG2 THR 12 6.033 12.186 0.576
90 H ALA 13 H ALA 13 1.488 11.281 -1.279
91 HA ALA 13 HA ALA 13 1.810 13.701 -2.917
92 1HB ALA 13 1HB ALA 13 3.287 11.371 -3.307
93 2HB ALA 13 2HB ALA 13 3.029 12.652 -4.491
94 3HB ALA 13 3HB ALA 13 1.967 11.244 -4.471
95 H ASP 14 H ASP 14 0.026 13.920 -4.481
96 HA ASP 14 HA ASP 14 -2.461 13.072 -3.543
97 1HB ASP 14 2HB ASP 14 -3.252 13.719 -5.899
98 2HB ASP 14 1HB ASP 14 -2.505 14.974 -4.915
99 H ASP 15 H ASP 15 -0.297 11.628 -5.883
100 HA ASP 15 HA ASP 15 -2.277 9.642 -6.642
101 1HB ASP 15 2HB ASP 15 -0.143 8.712 -7.903
102 2HB ASP 15 1HB ASP 15 -1.034 10.093 -8.528
103 H GLU 16 H GLU 16 -1.074 9.872 -3.840
104 HA GLU 16 HA GLU 16 0.028 7.150 -3.644
105 1HB GLU 16 2HB GLU 16 0.601 9.640 -2.258
106 2HB GLU 16 1HB GLU 16 0.161 8.366 -1.135
107 1HG GLU 16 2HG GLU 16 2.421 8.120 -1.246
108 2HG GLU 16 1HG GLU 16 1.875 6.957 -2.449
109 H LEU 17 H LEU 17 -0.737 6.160 -1.365
110 HA LEU 17 HA LEU 17 -3.635 6.667 -1.133
111 1HB LEU 17 2HB LEU 17 -2.510 4.547 -2.432
112 2HB LEU 17 1HB LEU 17 -2.716 3.891 -0.821
113 HG LEU 17 HG LEU 17 -4.634 3.324 -2.166
114 1HD1 LEU 17 1HD1 LEU 17 -4.805 4.915 0.222
115 2HD1 LEU 17 2HD1 LEU 17 -5.750 3.518 -0.266
116 3HD1 LEU 17 3HD1 LEU 17 -6.237 5.134 -0.777
117 1HD2 LEU 17 1HD2 LEU 17 -4.296 5.366 -3.686
118 2HD2 LEU 17 2HD2 LEU 17 -5.285 6.230 -2.510
119 3HD2 LEU 17 3HD2 LEU 17 -5.946 4.834 -3.362
120 H SER 18 H SER 18 -4.298 6.923 0.908
121 HA SER 18 HA SER 18 -2.520 6.262 3.115
122 1HB SER 18 2HB SER 18 -5.284 7.446 3.381
123 2HB SER 18 1HB SER 18 -3.927 7.583 4.496
124 HG SER 18 HG SER 18 -4.570 9.140 2.387
125 H PHE 19 H PHE 19 -3.419 5.216 5.043
126 HA PHE 19 HA PHE 19 -5.683 3.532 4.908
127 1HB PHE 19 2HB PHE 19 -4.510 1.344 4.860
128 2HB PHE 19 1HB PHE 19 -4.358 2.229 3.346
129 HD1 PHE 19 1HD PHE 19 -2.529 1.874 6.592
130 HD2 PHE 19 2HD PHE 19 -2.301 2.258 2.360
131 HE1 PHE 19 1HE PHE 19 -0.084 1.650 6.702
132 HE2 PHE 19 2HE PHE 19 0.144 2.034 2.471
133 HZ PHE 19 HZ PHE 19 1.256 1.730 4.644
134 H ARG 20 H ARG 20 -5.351 1.649 6.655
135 HA ARG 20 HA ARG 20 -4.271 3.022 9.026
136 1HB ARG 20 2HB ARG 20 -6.878 2.127 8.521
137 2HB ARG 20 1HB ARG 20 -6.206 0.967 9.662
138 1HG ARG 20 2HG ARG 20 -5.516 2.925 11.080
139 2HG ARG 20 1HG ARG 20 -6.470 3.942 9.999
140 1HD ARG 20 2HD ARG 20 -7.912 1.590 10.948
141 2HD ARG 20 1HD ARG 20 -7.395 2.665 12.246
142 HE ARG 20 HE ARG 20 -8.800 3.820 9.957
143 1HH1 ARG 20 1HH1 ARG 20 -8.837 2.889 13.328
144 2HH1 ARG 20 2HH1 ARG 20 -10.233 3.841 13.698
145 1HH2 ARG 20 1HH2 ARG 20 -10.636 5.066 10.453
146 2HH2 ARG 20 2HH2 ARG 20 -11.255 5.073 12.070
147 H LYS 21 H LYS 21 -3.677 1.441 10.887
148 HA LYS 21 HA LYS 21 -1.761 -0.415 9.954
149 1HB LYS 21 2HB LYS 21 -2.827 0.500 12.529
150 2HB LYS 21 1HB LYS 21 -2.416 -1.208 12.539
151 1HG LYS 21 2HG LYS 21 -0.153 -0.759 12.007
152 2HG LYS 21 1HG LYS 21 -0.507 0.919 11.611
153 1HD LYS 21 2HD LYS 21 0.605 0.485 13.854
154 2HD LYS 21 1HD LYS 21 -0.844 1.490 13.873
155 1HE LYS 21 2HE LYS 21 -2.005 -0.002 15.089
156 2HE LYS 21 1HE LYS 21 -1.362 -1.374 14.189
157 1HZ LYS 21 1HZ LYS 21 -0.715 -1.297 16.574
158 2HZ LYS 21 2HZ LYS 21 0.181 0.100 16.249
159 3HZ LYS 21 3HZ LYS 21 0.596 -1.364 15.507
160 H THR 22 H THR 22 -1.950 -2.566 9.514
161 HA THR 22 HA THR 22 -2.725 -4.663 9.395
162 HB THR 22 HB THR 22 -5.291 -4.239 10.760
163 HG1 THR 22 1HG THR 22 -3.812 -4.290 12.779
164 1HG2 THR 22 1HG2 THR 22 -4.641 -6.474 10.411
165 2HG2 THR 22 2HG2 THR 22 -4.375 -6.147 12.124
166 3HG2 THR 22 3HG2 THR 22 -3.009 -6.172 11.008
167 H GLN 23 H GLN 23 -4.078 -2.172 7.733
168 HA GLN 23 HA GLN 23 -6.378 -3.680 6.847
169 1HB GLN 23 2HB GLN 23 -6.304 -1.137 6.761
170 2HB GLN 23 1HB GLN 23 -5.283 -1.321 5.342
171 1HG GLN 23 2HG GLN 23 -7.011 -1.796 4.028
172 2HG GLN 23 1HG GLN 23 -7.694 -2.931 5.193
173 1HE2 GLN 23 1HE2 GLN 23 -9.186 -1.149 3.600
174 2HE2 GLN 23 2HE2 GLN 23 -9.984 -0.033 4.650
175 H ILE 24 H ILE 24 -6.692 -4.675 4.862
176 HA ILE 24 HA ILE 24 -4.254 -5.799 3.756
177 HB ILE 24 HB ILE 24 -5.757 -7.224 2.399
178 1HG1 ILE 24 2HG1 ILE 24 -7.981 -5.808 3.889
179 2HG1 ILE 24 1HG1 ILE 24 -7.631 -5.632 2.173
180 1HG2 ILE 24 1HG2 ILE 24 -6.157 -8.682 4.101
181 2HG2 ILE 24 2HG2 ILE 24 -6.841 -7.443 5.153
182 3HG2 ILE 24 3HG2 ILE 24 -5.094 -7.551 4.939
183 1HD1 ILE 24 1HD1 ILE 24 -7.998 -8.153 2.029
184 2HD1 ILE 24 2HD1 ILE 24 -9.410 -7.121 2.253
185 3HD1 ILE 24 3HD1 ILE 24 -8.734 -8.002 3.624
186 H LEU 25 H LEU 25 -3.219 -4.826 2.151
187 HA LEU 25 HA LEU 25 -4.767 -3.072 0.390
188 1HB LEU 25 2HB LEU 25 -1.799 -3.118 0.882
189 2HB LEU 25 1HB LEU 25 -2.651 -1.982 -0.149
190 HG LEU 25 HG LEU 25 -3.205 -2.241 2.800
191 1HD1 LEU 25 1HD1 LEU 25 -1.857 0.136 2.361
192 2HD1 LEU 25 2HD1 LEU 25 -0.941 -1.060 1.457
193 3HD1 LEU 25 3HD1 LEU 25 -1.234 -1.292 3.178
194 1HD2 LEU 25 1HD2 LEU 25 -5.006 -1.120 1.949
195 2HD2 LEU 25 2HD2 LEU 25 -4.091 -0.446 0.601
196 3HD2 LEU 25 3HD2 LEU 25 -3.905 0.232 2.217
197 H LYS 26 H LYS 26 -4.672 -3.181 -1.797
198 HA LYS 26 HA LYS 26 -3.994 -5.752 -2.935
199 1HB LYS 26 2HB LYS 26 -5.285 -3.226 -3.929
200 2HB LYS 26 1HB LYS 26 -4.908 -4.555 -5.011
201 1HG LYS 26 2HG LYS 26 -6.535 -4.978 -2.535
202 2HG LYS 26 1HG LYS 26 -7.266 -4.427 -4.044
203 1HD LYS 26 2HD LYS 26 -5.657 -6.562 -4.797
204 2HD LYS 26 1HD LYS 26 -6.378 -7.077 -3.270
205 1HE LYS 26 2HE LYS 26 -8.557 -6.080 -4.431
206 2HE LYS 26 1HE LYS 26 -7.654 -6.501 -5.884
207 1HZ LYS 26 1HZ LYS 26 -7.373 -8.761 -4.859
208 2HZ LYS 26 2HZ LYS 26 -8.949 -8.369 -5.332
209 3HZ LYS 26 3HZ LYS 26 -8.517 -8.304 -3.699
210 H ILE 27 H ILE 27 -1.753 -5.908 -3.147
211 HA ILE 27 HA ILE 27 -0.190 -3.740 -4.234
212 HB ILE 27 HB ILE 27 0.575 -6.622 -3.777
213 1HG1 ILE 27 2HG1 ILE 27 -0.023 -5.325 -1.732
214 2HG1 ILE 27 1HG1 ILE 27 1.660 -5.840 -1.769
215 1HG2 ILE 27 1HG2 ILE 27 2.811 -4.872 -3.772
216 2HG2 ILE 27 2HG2 ILE 27 1.896 -4.588 -5.253
217 3HG2 ILE 27 3HG2 ILE 27 2.464 -6.212 -4.862
218 1HD1 ILE 27 1HD1 ILE 27 1.290 -3.521 -0.950
219 2HD1 ILE 27 2HD1 ILE 27 0.741 -3.095 -2.572
220 3HD1 ILE 27 3HD1 ILE 27 2.396 -3.649 -2.317
221 H LEU 28 H LEU 28 0.289 -3.386 -6.376
222 HA LEU 28 HA LEU 28 -0.126 -5.570 -8.259
223 1HB LEU 28 2HB LEU 28 -1.633 -4.309 -9.679
224 2HB LEU 28 1HB LEU 28 -2.317 -4.599 -8.091
225 HG LEU 28 HG LEU 28 -0.928 -2.010 -8.616
226 1HD1 LEU 28 1HD1 LEU 28 -3.820 -2.063 -9.122
227 2HD1 LEU 28 2HD1 LEU 28 -2.823 -2.811 -10.366
228 3HD1 LEU 28 3HD1 LEU 28 -2.544 -1.139 -9.900
229 1HD2 LEU 28 1HD2 LEU 28 -1.864 -2.881 -6.378
230 2HD2 LEU 28 2HD2 LEU 28 -3.438 -2.486 -7.064
231 3HD2 LEU 28 3HD2 LEU 28 -2.219 -1.228 -6.869
232 H ASN 29 H ASN 29 1.441 -2.536 -7.535
233 HA ASN 29 HA ASN 29 3.129 -3.093 -9.825
234 1HB ASN 29 2HB ASN 29 1.872 -1.655 -11.093
235 2HB ASN 29 1HB ASN 29 1.264 -0.787 -9.693
236 1HD2 ASN 29 1HD2 ASN 29 4.391 -1.332 -11.289
237 2HD2 ASN 29 2HD2 ASN 29 4.862 0.328 -11.256
238 H MET 30 H MET 30 4.784 -3.376 -8.947
239 HA MET 30 HA MET 30 6.180 -1.415 -7.243
240 1HB MET 30 2HB MET 30 7.242 -3.241 -6.090
241 2HB MET 30 1HB MET 30 5.510 -3.181 -5.807
242 1HG MET 30 2HG MET 30 5.235 -4.985 -7.489
243 2HG MET 30 1HG MET 30 6.993 -5.097 -7.585
244 1HE MET 30 1HE MET 30 6.854 -8.114 -6.204
245 2HE MET 30 2HE MET 30 5.717 -7.396 -7.346
246 3HE MET 30 3HE MET 30 5.134 -8.064 -5.821
247 H GLU 31 H GLU 31 8.127 -0.903 -8.050
248 HA GLU 31 HA GLU 31 10.067 -2.329 -8.745
249 1HB GLU 31 2HB GLU 31 10.222 -2.704 -11.246
250 2HB GLU 31 1HB GLU 31 9.213 -3.787 -10.302
251 1HG GLU 31 2HG GLU 31 7.288 -3.053 -11.263
252 2HG GLU 31 1HG GLU 31 7.902 -1.419 -11.505
253 H ASP 32 H ASP 32 8.621 0.353 -10.428
254 HA ASP 32 HA ASP 32 11.208 1.403 -11.137
255 1HB ASP 32 2HB ASP 32 8.495 2.018 -11.847
256 2HB ASP 32 1HB ASP 32 9.268 3.481 -11.244
257 H ASP 33 H ASP 33 9.373 1.194 -8.407
258 HA ASP 33 HA ASP 33 10.902 3.302 -7.097
259 1HB ASP 33 2HB ASP 33 8.166 3.508 -7.697
260 2HB ASP 33 1HB ASP 33 8.240 3.135 -5.978
261 H SER 34 H SER 34 12.144 1.457 -6.311
262 HA SER 34 HA SER 34 11.061 -0.753 -5.005
263 1HB SER 34 2HB SER 34 13.692 0.432 -5.381
264 2HB SER 34 1HB SER 34 13.537 -0.370 -3.819
265 HG SER 34 HG SER 34 12.660 -2.187 -5.081
266 H ASN 35 H ASN 35 10.009 1.974 -3.968
267 HA ASN 35 HA ASN 35 10.404 1.270 -1.123
268 1HB ASN 35 2HB ASN 35 11.636 3.422 -2.421
269 2HB ASN 35 1HB ASN 35 10.341 4.118 -1.456
270 1HD2 ASN 35 1HD2 ASN 35 12.426 1.311 -0.903
271 2HD2 ASN 35 2HD2 ASN 35 13.075 1.873 0.596
272 H TRP 36 H TRP 36 8.438 2.808 -3.564
273 HA TRP 36 HA TRP 36 6.221 2.830 -1.631
274 1HB TRP 36 2HB TRP 36 6.660 4.823 -3.873
275 2HB TRP 36 1HB TRP 36 5.323 4.825 -2.721
276 HD1 TRP 36 HD TRP 36 9.177 5.170 -2.711
277 HE1 TRP 36 1HE TRP 36 9.852 6.658 -0.726
278 HE3 TRP 36 3HE TRP 36 4.560 5.895 -0.622
279 HZ2 TRP 36 2HZ TRP 36 8.598 7.957 1.442
280 HZ3 TRP 36 3HZ TRP 36 4.393 7.280 1.416
281 HH2 TRP 36 HH TRP 36 6.375 8.289 2.415
282 H TYR 37 H TYR 37 4.702 1.393 -2.197
283 HA TYR 37 HA TYR 37 4.802 0.304 -4.895
284 1HB TYR 37 2HB TYR 37 3.342 -0.607 -2.413
285 2HB TYR 37 1HB TYR 37 3.281 -1.441 -3.961
286 HD1 TYR 37 1HD TYR 37 6.049 -1.396 -4.860
287 HD2 TYR 37 2HD TYR 37 4.485 -1.975 -0.947
288 HE1 TYR 37 1HE TYR 37 8.057 -2.681 -4.254
289 HE2 TYR 37 2HE TYR 37 6.488 -3.259 -0.329
290 HH TYR 37 HH TYR 37 8.415 -4.676 -2.205
291 H ARG 38 H ARG 38 3.016 0.004 -6.217
292 HA ARG 38 HA ARG 38 0.944 2.033 -5.839
293 1HB ARG 38 2HB ARG 38 2.248 0.785 -8.171
294 2HB ARG 38 1HB ARG 38 0.501 0.887 -8.325
295 1HG ARG 38 2HG ARG 38 1.096 3.392 -7.472
296 2HG ARG 38 1HG ARG 38 2.534 2.998 -8.416
297 1HD ARG 38 2HD ARG 38 1.097 2.385 -10.314
298 2HD ARG 38 1HD ARG 38 -0.315 2.820 -9.363
299 HE ARG 38 HE ARG 38 1.418 5.013 -9.447
300 1HH1 ARG 38 1HH1 ARG 38 -0.693 3.178 -11.535
301 2HH1 ARG 38 2HH1 ARG 38 -1.007 4.506 -12.599
302 1HH2 ARG 38 1HH2 ARG 38 1.007 6.768 -10.855
303 2HH2 ARG 38 2HH2 ARG 38 -0.042 6.542 -12.216
304 H ALA 39 H ALA 39 -0.501 1.164 -4.522
305 HA ALA 39 HA ALA 39 -1.397 -1.580 -5.039
306 1HB ALA 39 1HB ALA 39 -0.731 -1.621 -2.841
307 2HB ALA 39 2HB ALA 39 -2.423 -1.167 -2.642
308 3HB ALA 39 3HB ALA 39 -1.166 0.068 -2.569
309 H GLU 40 H GLU 40 -3.716 -1.950 -4.362
310 HA GLU 40 HA GLU 40 -5.331 0.258 -5.430
311 1HB GLU 40 2HB GLU 40 -5.189 -2.539 -6.233
312 2HB GLU 40 1HB GLU 40 -6.832 -2.017 -5.891
313 1HG GLU 40 2HG GLU 40 -6.029 0.045 -7.391
314 2HG GLU 40 1HG GLU 40 -5.000 -1.218 -8.056
315 H LEU 41 H LEU 41 -7.321 0.649 -4.572
316 HA LEU 41 HA LEU 41 -8.380 -0.935 -2.406
317 1HB LEU 41 2HB LEU 41 -6.709 0.346 -1.218
318 2HB LEU 41 1HB LEU 41 -7.240 1.829 -1.985
319 HG LEU 41 HG LEU 41 -9.505 1.347 -0.804
320 1HD1 LEU 41 1HD1 LEU 41 -9.631 -0.329 0.647
321 2HD1 LEU 41 2HD1 LEU 41 -8.136 0.166 1.441
322 3HD1 LEU 41 3HD1 LEU 41 -8.077 -0.895 0.034
323 1HD2 LEU 41 1HD2 LEU 41 -8.888 3.041 0.505
324 2HD2 LEU 41 2HD2 LEU 41 -7.290 2.888 -0.218
325 3HD2 LEU 41 3HD2 LEU 41 -7.648 2.073 1.305
326 H ASP 42 H ASP 42 -10.541 -0.782 -2.470
327 HA ASP 42 HA ASP 42 -12.630 -0.122 -3.078
328 1HB ASP 42 2HB ASP 42 -11.204 2.491 -2.775
329 2HB ASP 42 1HB ASP 42 -12.796 2.488 -3.528
330 H GLY 43 H GLY 43 -10.908 2.330 -4.968
331 1HA GLY 43 2HA GLY 43 -11.063 0.781 -7.399
332 2HA GLY 43 1HA GLY 43 -12.199 2.120 -7.338
333 H LYS 44 H LYS 44 -8.949 2.134 -5.920
334 HA LYS 44 HA LYS 44 -8.084 4.056 -7.986
335 1HB LYS 44 2HB LYS 44 -7.636 4.328 -5.015
336 2HB LYS 44 1HB LYS 44 -7.205 5.488 -6.264
337 1HG LYS 44 2HG LYS 44 -10.049 4.670 -5.812
338 2HG LYS 44 1HG LYS 44 -9.289 5.950 -4.863
339 1HD LYS 44 2HD LYS 44 -8.626 6.956 -7.134
340 2HD LYS 44 1HD LYS 44 -9.835 5.862 -7.813
341 1HE LYS 44 2HE LYS 44 -11.557 7.068 -7.014
342 2HE LYS 44 1HE LYS 44 -10.741 7.406 -5.487
343 1HZ LYS 44 1HZ LYS 44 -11.161 9.377 -6.943
344 2HZ LYS 44 2HZ LYS 44 -10.030 8.749 -8.033
345 3HZ LYS 44 3HZ LYS 44 -9.549 9.177 -6.469
346 H GLU 45 H GLU 45 -5.934 4.033 -8.488
347 HA GLU 45 HA GLU 45 -4.303 1.920 -7.253
348 1HB GLU 45 2HB GLU 45 -4.619 1.847 -9.739
349 2HB GLU 45 1HB GLU 45 -3.833 3.413 -9.853
350 1HG GLU 45 2HG GLU 45 -1.755 2.559 -9.440
351 2HG GLU 45 1HG GLU 45 -2.371 1.200 -8.506
352 H GLY 46 H GLY 46 -3.125 2.796 -5.552
353 1HA GLY 46 2HA GLY 46 -1.745 5.336 -6.147
354 2HA GLY 46 1HA GLY 46 -2.687 5.178 -4.681
355 H LEU 47 H LEU 47 0.132 5.781 -5.151
356 HA LEU 47 HA LEU 47 1.816 3.675 -4.480
357 1HB LEU 47 2HB LEU 47 1.948 6.633 -4.390
358 2HB LEU 47 1HB LEU 47 3.165 5.752 -3.488
359 HG LEU 47 HG LEU 47 3.284 4.473 -5.887
360 1HD1 LEU 47 1HD1 LEU 47 3.434 6.484 -7.505
361 2HD1 LEU 47 2HD1 LEU 47 2.345 7.273 -6.364
362 3HD1 LEU 47 3HD1 LEU 47 1.854 5.777 -7.160
363 1HD2 LEU 47 1HD2 LEU 47 4.877 6.246 -4.351
364 2HD2 LEU 47 2HD2 LEU 47 5.008 6.730 -6.041
365 3HD2 LEU 47 3HD2 LEU 47 5.394 5.078 -5.567
366 H ILE 48 H ILE 48 2.710 3.033 -2.459
367 HA ILE 48 HA ILE 48 1.554 4.195 -0.040
368 HB ILE 48 HB ILE 48 1.044 1.906 0.861
369 1HG1 ILE 48 2HG1 ILE 48 0.939 1.045 -2.021
370 2HG1 ILE 48 1HG1 ILE 48 2.377 0.780 -1.041
371 1HG2 ILE 48 1HG2 ILE 48 -1.150 1.864 -0.072
372 2HG2 ILE 48 2HG2 ILE 48 -0.606 2.695 -1.530
373 3HG2 ILE 48 3HG2 ILE 48 -0.638 3.550 0.012
374 1HD1 ILE 48 1HD1 ILE 48 1.482 -1.035 -0.165
375 2HD1 ILE 48 2HD1 ILE 48 0.085 -0.821 -1.218
376 3HD1 ILE 48 3HD1 ILE 48 0.089 -0.113 0.394
377 HA PRO 49 HA PRO 49 5.844 4.211 1.360
378 1HB PRO 49 2HB PRO 49 4.386 3.554 3.866
379 2HB PRO 49 1HB PRO 49 5.637 4.758 3.567
380 1HG PRO 49 2HG PRO 49 2.904 5.256 3.659
381 2HG PRO 49 1HG PRO 49 4.124 6.325 2.960
382 1HD PRO 49 2HD PRO 49 2.037 4.924 1.604
383 2HD PRO 49 1HD PRO 49 3.306 5.913 0.874
384 H SER 50 H SER 50 7.312 2.560 1.605
385 HA SER 50 HA SER 50 6.497 -0.193 1.446
386 1HB SER 50 2HB SER 50 8.864 1.287 0.954
387 2HB SER 50 1HB SER 50 9.258 0.028 2.116
388 HG SER 50 HG SER 50 9.148 -0.336 -0.386
389 H ASN 51 H ASN 51 8.051 1.689 4.020
390 HA ASN 51 HA ASN 51 8.488 -0.494 5.726
391 1HB ASN 51 2HB ASN 51 9.295 2.075 5.659
392 2HB ASN 51 1HB ASN 51 8.138 2.146 6.985
393 1HD2 ASN 51 1HD2 ASN 51 11.238 2.018 6.533
394 2HD2 ASN 51 2HD2 ASN 51 11.745 0.961 7.803
395 H TYR 52 H TYR 52 5.536 1.141 5.125
396 HA TYR 52 HA TYR 52 4.429 0.516 7.766
397 1HB TYR 52 2HB TYR 52 3.292 1.946 5.355
398 2HB TYR 52 1HB TYR 52 2.374 1.631 6.822
399 HD1 TYR 52 1HD TYR 52 1.955 3.845 7.505
400 HD2 TYR 52 2HD TYR 52 5.952 2.649 6.686
401 HE1 TYR 52 1HE TYR 52 2.782 5.949 8.475
402 HE2 TYR 52 2HE TYR 52 6.786 4.740 7.658
403 HH TYR 52 HH TYR 52 6.240 6.730 8.519
404 H ILE 53 H ILE 53 4.761 -0.913 4.716
405 HA ILE 53 HA ILE 53 2.721 -2.880 5.404
406 HB ILE 53 HB ILE 53 1.786 -1.459 3.669
407 1HG1 ILE 53 2HG1 ILE 53 2.593 -3.965 2.219
408 2HG1 ILE 53 1HG1 ILE 53 1.516 -4.027 3.604
409 1HG2 ILE 53 1HG2 ILE 53 3.039 -1.724 1.362
410 2HG2 ILE 53 2HG2 ILE 53 4.429 -1.864 2.439
411 3HG2 ILE 53 3HG2 ILE 53 3.401 -0.434 2.504
412 1HD1 ILE 53 1HD1 ILE 53 0.687 -3.772 1.068
413 2HD1 ILE 53 2HD1 ILE 53 0.785 -2.078 1.546
414 3HD1 ILE 53 3HD1 ILE 53 -0.220 -3.197 2.466
415 H GLU 54 H GLU 54 3.025 -4.954 4.285
416 HA GLU 54 HA GLU 54 5.642 -5.552 3.125
417 1HB GLU 54 2HB GLU 54 4.563 -6.628 5.697
418 2HB GLU 54 1HB GLU 54 5.510 -7.686 4.659
419 1HG GLU 54 2HG GLU 54 6.875 -5.200 4.911
420 2HG GLU 54 1HG GLU 54 6.421 -5.766 6.518
421 H MET 55 H MET 55 5.621 -7.538 1.879
422 HA MET 55 HA MET 55 3.199 -8.053 0.565
423 1HB MET 55 2HB MET 55 5.498 -9.994 0.620
424 2HB MET 55 1HB MET 55 4.348 -9.707 -0.677
425 1HG MET 55 2HG MET 55 5.558 -8.047 -1.538
426 2HG MET 55 1HG MET 55 5.890 -7.338 0.039
427 1HE MET 55 1HE MET 55 8.941 -6.951 -0.785
428 2HE MET 55 2HE MET 55 7.676 -6.977 -2.014
429 3HE MET 55 3HE MET 55 9.103 -7.998 -2.196
430 H LYS 56 H LYS 56 1.531 -9.297 1.054
431 HA LYS 56 HA LYS 56 1.692 -11.149 3.266
432 1HB LYS 56 2HB LYS 56 -0.235 -9.315 2.890
433 2HB LYS 56 1HB LYS 56 -0.907 -10.605 1.904
434 1HG LYS 56 2HG LYS 56 -0.111 -11.793 4.320
435 2HG LYS 56 1HG LYS 56 -0.905 -10.279 4.753
436 1HD LYS 56 2HD LYS 56 -2.621 -11.205 2.886
437 2HD LYS 56 1HD LYS 56 -2.015 -12.729 3.537
438 1HE LYS 56 2HE LYS 56 -2.587 -10.921 5.685
439 2HE LYS 56 1HE LYS 56 -3.989 -11.044 4.623
440 1HZ LYS 56 1HZ LYS 56 -3.441 -12.772 6.582
441 2HZ LYS 56 2HZ LYS 56 -2.712 -13.561 5.275
442 3HZ LYS 56 3HZ LYS 56 -4.354 -13.163 5.212
443 H ASN 57 H ASN 57 -0.593 -12.623 2.250
444 HA ASN 57 HA ASN 57 -0.934 -14.552 1.065
445 1HB ASN 57 2HB ASN 57 -1.126 -12.506 -0.544
446 2HB ASN 57 1HB ASN 57 0.331 -13.181 -1.268
447 1HD2 ASN 57 1HD2 ASN 57 -2.982 -13.209 -1.306
448 2HD2 ASN 57 2HD2 ASN 57 -3.235 -14.689 -2.162
449 H HIS 58 H HIS 58 1.258 -14.955 2.487
450 HA HIS 58 HA HIS 58 3.042 -16.433 2.620
451 1HB HIS 58 2HB HIS 58 1.588 -17.697 0.987
452 2HB HIS 58 1HB HIS 58 2.516 -16.964 -0.315
453 HD1 HIS 58 1HD HIS 58 2.617 -19.906 -0.301
454 HD2 HIS 58 2HD HIS 58 5.216 -17.629 2.003
455 HE1 HIS 58 1HE HIS 58 4.600 -21.387 0.134
456 HE2 HIS 58 2HE HIS 58 6.211 -19.945 1.428
457 H ASP 59 H ASP 59 4.428 -16.652 -0.345
458 HA ASP 59 HA ASP 59 6.164 -15.681 -1.426
459 1HB ASP 59 2HB ASP 59 4.582 -13.541 -0.854
460 2HB ASP 59 1HB ASP 59 6.063 -13.094 -0.012
Start of MODEL 3
1 1H MET 1 1HT MET 1 1.062 -8.798 -4.556
2 2H MET 1 2HT MET 1 1.358 -8.903 -6.242
3 3H MET 1 3HT MET 1 0.956 -10.313 -5.351
4 HA MET 1 HA MET 1 -0.706 -8.282 -6.456
5 1HB MET 1 2HB MET 1 -0.725 -11.176 -5.809
6 2HB MET 1 1HB MET 1 -2.290 -10.381 -5.881
7 1HG MET 1 2HG MET 1 -2.271 -10.666 -8.069
8 2HG MET 1 1HG MET 1 -0.923 -9.534 -8.163
9 1HE MET 1 1HE MET 1 -0.841 -13.279 -6.577
10 2HE MET 1 2HE MET 1 -0.647 -14.122 -8.113
11 3HE MET 1 3HE MET 1 -2.086 -13.146 -7.819
12 H GLU 2 H GLU 2 -0.197 -9.723 -3.379
13 HA GLU 2 HA GLU 2 -2.057 -7.799 -2.186
14 1HB GLU 2 2HB GLU 2 -2.111 -10.780 -1.853
15 2HB GLU 2 1HB GLU 2 -2.822 -9.692 -0.686
16 1HG GLU 2 2HG GLU 2 -4.423 -8.902 -2.200
17 2HG GLU 2 1HG GLU 2 -3.565 -9.595 -3.576
18 H ALA 3 H ALA 3 -1.435 -6.956 -0.276
19 HA ALA 3 HA ALA 3 0.780 -8.157 1.267
20 1HB ALA 3 1HB ALA 3 2.194 -6.831 0.147
21 2HB ALA 3 2HB ALA 3 1.580 -5.591 1.239
22 3HB ALA 3 3HB ALA 3 0.921 -5.745 -0.384
23 H ILE 4 H ILE 4 0.915 -7.397 3.440
24 HA ILE 4 HA ILE 4 -1.494 -5.981 4.382
25 HB ILE 4 HB ILE 4 -1.083 -8.194 5.412
26 1HG1 ILE 4 2HG1 ILE 4 -0.432 -6.689 7.779
27 2HG1 ILE 4 1HG1 ILE 4 -1.558 -5.790 6.777
28 1HG2 ILE 4 1HG2 ILE 4 0.831 -8.718 6.678
29 2HG2 ILE 4 2HG2 ILE 4 1.435 -7.065 6.575
30 3HG2 ILE 4 3HG2 ILE 4 1.402 -8.084 5.137
31 1HD1 ILE 4 1HD1 ILE 4 -2.084 -7.940 8.523
32 2HD1 ILE 4 2HD1 ILE 4 -2.451 -8.460 6.884
33 3HD1 ILE 4 3HD1 ILE 4 -3.216 -7.014 7.538
34 H ALA 5 H ALA 5 -1.212 -4.276 5.971
35 HA ALA 5 HA ALA 5 1.502 -3.193 6.069
36 1HB ALA 5 1HB ALA 5 0.953 -1.283 5.015
37 2HB ALA 5 2HB ALA 5 -0.571 -1.146 5.871
38 3HB ALA 5 3HB ALA 5 -0.454 -2.171 4.444
39 H LYS 6 H LYS 6 1.911 -3.384 8.341
40 HA LYS 6 HA LYS 6 -0.292 -2.233 9.950
41 1HB LYS 6 2HB LYS 6 0.303 -4.492 10.641
42 2HB LYS 6 1HB LYS 6 1.999 -4.039 10.739
43 1HG LYS 6 2HG LYS 6 0.644 -2.258 12.406
44 2HG LYS 6 1HG LYS 6 -0.057 -3.844 12.726
45 1HD LYS 6 2HD LYS 6 1.963 -4.720 13.444
46 2HD LYS 6 1HD LYS 6 2.911 -3.508 12.578
47 1HE LYS 6 2HE LYS 6 2.966 -2.203 14.376
48 2HE LYS 6 1HE LYS 6 1.208 -2.216 14.485
49 1HZ LYS 6 1HZ LYS 6 3.026 -3.427 16.200
50 2HZ LYS 6 2HZ LYS 6 2.218 -4.679 15.402
51 3HZ LYS 6 3HZ LYS 6 1.337 -3.514 16.254
52 H HIS 7 H HIS 7 0.202 -0.165 9.511
53 HA HIS 7 HA HIS 7 1.677 1.074 11.384
54 1HB HIS 7 2HB HIS 7 3.095 0.736 8.798
55 2HB HIS 7 1HB HIS 7 3.060 2.387 9.403
56 HD1 HIS 7 1HD HIS 7 3.101 0.465 12.346
57 HD2 HIS 7 2HD HIS 7 5.970 1.376 9.483
58 HE1 HIS 7 1HE HIS 7 5.314 0.083 13.470
59 HE2 HIS 7 2HE HIS 7 7.038 0.658 11.726
60 H ASP 8 H ASP 8 0.177 2.913 11.667
61 HA ASP 8 HA ASP 8 -1.778 3.285 9.658
62 1HB ASP 8 2HB ASP 8 -2.230 5.524 10.803
63 2HB ASP 8 1HB ASP 8 -2.376 4.096 11.822
64 H PHE 9 H PHE 9 -1.997 5.187 8.177
65 HA PHE 9 HA PHE 9 0.223 6.928 7.816
66 1HB PHE 9 2HB PHE 9 1.188 4.855 6.793
67 2HB PHE 9 1HB PHE 9 -0.087 4.926 5.577
68 HD1 PHE 9 1HD PHE 9 2.820 6.734 6.966
69 HD2 PHE 9 2HD PHE 9 0.094 6.375 3.721
70 HE1 PHE 9 1HE PHE 9 4.196 8.287 5.650
71 HE2 PHE 9 2HE PHE 9 1.471 7.925 2.400
72 HZ PHE 9 HZ PHE 9 3.520 8.887 3.360
73 H SER 10 H SER 10 0.092 8.344 6.022
74 HA SER 10 HA SER 10 -2.405 8.387 4.551
75 1HB SER 10 2HB SER 10 -1.843 10.226 6.744
76 2HB SER 10 1HB SER 10 -2.201 11.059 5.231
77 HG SER 10 HG SER 10 -3.863 9.694 6.887
78 H ALA 11 H ALA 11 -1.643 8.328 2.577
79 HA ALA 11 HA ALA 11 0.483 8.751 1.174
80 1HB ALA 11 1HB ALA 11 -2.211 9.945 0.664
81 2HB ALA 11 2HB ALA 11 -1.519 8.466 0.005
82 3HB ALA 11 3HB ALA 11 -0.907 10.037 -0.516
83 H THR 12 H THR 12 1.804 10.108 0.328
84 HA THR 12 HA THR 12 1.963 12.786 1.491
85 HB THR 12 HB THR 12 3.925 10.651 0.935
86 HG1 THR 12 1HG THR 12 3.630 12.865 2.624
87 1HG2 THR 12 1HG2 THR 12 5.428 11.625 -0.356
88 2HG2 THR 12 2HG2 THR 12 5.463 13.043 0.687
89 3HG2 THR 12 3HG2 THR 12 4.332 12.967 -0.655
90 H ALA 13 H ALA 13 1.057 11.202 -1.273
91 HA ALA 13 HA ALA 13 1.204 13.683 -2.821
92 1HB ALA 13 1HB ALA 13 3.068 12.072 -3.485
93 2HB ALA 13 2HB ALA 13 2.009 12.625 -4.783
94 3HB ALA 13 3HB ALA 13 1.794 11.015 -4.095
95 H ASP 14 H ASP 14 -0.583 13.804 -4.393
96 HA ASP 14 HA ASP 14 -3.011 12.751 -3.496
97 1HB ASP 14 2HB ASP 14 -2.187 14.010 -6.099
98 2HB ASP 14 1HB ASP 14 -3.820 13.393 -5.863
99 H ASP 15 H ASP 15 -0.707 11.506 -5.810
100 HA ASP 15 HA ASP 15 -2.546 9.441 -6.689
101 1HB ASP 15 2HB ASP 15 -0.644 8.675 -8.098
102 2HB ASP 15 1HB ASP 15 -1.043 10.369 -8.362
103 H GLU 16 H GLU 16 -1.370 9.725 -3.830
104 HA GLU 16 HA GLU 16 -0.251 7.017 -3.644
105 1HB GLU 16 2HB GLU 16 0.163 9.501 -2.102
106 2HB GLU 16 1HB GLU 16 0.011 8.036 -1.146
107 1HG GLU 16 2HG GLU 16 1.876 7.048 -2.179
108 2HG GLU 16 1HG GLU 16 1.912 8.275 -3.445
109 H LEU 17 H LEU 17 -1.002 6.003 -1.391
110 HA LEU 17 HA LEU 17 -3.903 6.475 -1.150
111 1HB LEU 17 2HB LEU 17 -2.784 4.412 -2.510
112 2HB LEU 17 1HB LEU 17 -2.900 3.708 -0.912
113 HG LEU 17 HG LEU 17 -4.864 3.082 -2.102
114 1HD1 LEU 17 1HD1 LEU 17 -5.287 5.246 -0.081
115 2HD1 LEU 17 2HD1 LEU 17 -5.481 3.505 0.093
116 3HD1 LEU 17 3HD1 LEU 17 -6.653 4.434 -0.842
117 1HD2 LEU 17 1HD2 LEU 17 -4.533 5.548 -3.409
118 2HD2 LEU 17 2HD2 LEU 17 -6.105 5.616 -2.614
119 3HD2 LEU 17 3HD2 LEU 17 -5.741 4.305 -3.735
120 H SER 18 H SER 18 -4.523 6.743 0.912
121 HA SER 18 HA SER 18 -2.700 6.069 3.080
122 1HB SER 18 2HB SER 18 -5.447 7.248 3.454
123 2HB SER 18 1HB SER 18 -4.038 7.401 4.499
124 HG SER 18 HG SER 18 -3.237 8.437 2.296
125 H PHE 19 H PHE 19 -3.559 5.055 5.026
126 HA PHE 19 HA PHE 19 -5.831 3.382 4.953
127 1HB PHE 19 2HB PHE 19 -4.681 1.190 4.921
128 2HB PHE 19 1HB PHE 19 -4.484 2.055 3.401
129 HD1 PHE 19 1HD PHE 19 -2.376 2.330 2.502
130 HD2 PHE 19 2HD PHE 19 -2.766 1.437 6.644
131 HE1 PHE 19 1HE PHE 19 0.066 2.085 2.678
132 HE2 PHE 19 2HE PHE 19 -0.326 1.188 6.823
133 HZ PHE 19 HZ PHE 19 1.095 1.515 4.840
134 H ARG 20 H ARG 20 -5.508 1.576 6.782
135 HA ARG 20 HA ARG 20 -4.402 3.056 9.079
136 1HB ARG 20 2HB ARG 20 -6.273 0.920 9.757
137 2HB ARG 20 1HB ARG 20 -6.247 2.598 10.274
138 1HG ARG 20 2HG ARG 20 -7.294 1.702 7.602
139 2HG ARG 20 1HG ARG 20 -8.299 1.886 9.040
140 1HD ARG 20 2HD ARG 20 -8.359 4.108 8.842
141 2HD ARG 20 1HD ARG 20 -6.626 4.211 8.535
142 HE ARG 20 HE ARG 20 -7.051 4.246 6.280
143 1HH1 ARG 20 1HH1 ARG 20 -9.952 3.313 7.981
144 2HH1 ARG 20 2HH1 ARG 20 -10.965 3.453 6.584
145 1HH2 ARG 20 1HH2 ARG 20 -8.382 4.426 4.442
146 2HH2 ARG 20 2HH2 ARG 20 -10.074 4.081 4.574
147 H LYS 21 H LYS 21 -3.827 1.513 11.010
148 HA LYS 21 HA LYS 21 -1.832 -0.293 10.144
149 1HB LYS 21 2HB LYS 21 -2.098 0.933 12.413
150 2HB LYS 21 1HB LYS 21 -3.211 -0.364 12.827
151 1HG LYS 21 2HG LYS 21 -1.139 -1.823 11.998
152 2HG LYS 21 1HG LYS 21 -0.278 -0.390 12.566
153 1HD LYS 21 2HD LYS 21 -2.368 -1.752 14.238
154 2HD LYS 21 1HD LYS 21 -0.684 -2.275 14.250
155 1HE LYS 21 2HE LYS 21 -0.401 0.403 14.579
156 2HE LYS 21 1HE LYS 21 -1.933 0.121 15.406
157 1HZ LYS 21 1HZ LYS 21 -0.712 -0.504 17.135
158 2HZ LYS 21 2HZ LYS 21 0.716 -0.544 16.230
159 3HZ LYS 21 3HZ LYS 21 -0.299 -1.896 16.269
160 H THR 22 H THR 22 -1.992 -2.447 9.704
161 HA THR 22 HA THR 22 -2.747 -4.573 9.644
162 HB THR 22 HB THR 22 -5.235 -3.722 11.100
163 HG1 THR 22 1HG THR 22 -2.800 -4.604 12.245
164 1HG2 THR 22 1HG2 THR 22 -4.449 -6.198 10.107
165 2HG2 THR 22 2HG2 THR 22 -5.730 -5.868 11.274
166 3HG2 THR 22 3HG2 THR 22 -4.105 -6.258 11.835
167 H GLN 23 H GLN 23 -3.992 -2.110 7.891
168 HA GLN 23 HA GLN 23 -6.268 -3.568 6.890
169 1HB GLN 23 2HB GLN 23 -5.566 -0.878 6.735
170 2HB GLN 23 1HB GLN 23 -5.446 -1.468 5.083
171 1HG GLN 23 2HG GLN 23 -7.815 -2.553 5.991
172 2HG GLN 23 1HG GLN 23 -7.786 -0.941 6.706
173 1HE2 GLN 23 1HE2 GLN 23 -8.641 -2.692 4.040
174 2HE2 GLN 23 2HE2 GLN 23 -8.761 -1.411 2.888
175 H ILE 24 H ILE 24 -6.524 -3.941 4.515
176 HA ILE 24 HA ILE 24 -4.111 -5.301 3.544
177 HB ILE 24 HB ILE 24 -6.142 -6.676 3.910
178 1HG1 ILE 24 2HG1 ILE 24 -4.348 -7.145 2.193
179 2HG1 ILE 24 1HG1 ILE 24 -5.879 -7.974 1.964
180 1HG2 ILE 24 1HG2 ILE 24 -8.137 -6.000 3.254
181 2HG2 ILE 24 2HG2 ILE 24 -7.611 -6.048 1.571
182 3HG2 ILE 24 3HG2 ILE 24 -7.422 -4.571 2.514
183 1HD1 ILE 24 1HD1 ILE 24 -5.812 -7.257 -0.129
184 2HD1 ILE 24 2HD1 ILE 24 -4.449 -6.193 0.217
185 3HD1 ILE 24 3HD1 ILE 24 -6.097 -5.629 0.486
186 H LEU 25 H LEU 25 -3.035 -4.467 1.842
187 HA LEU 25 HA LEU 25 -4.523 -2.608 0.118
188 1HB LEU 25 2HB LEU 25 -1.538 -2.647 0.195
189 2HB LEU 25 1HB LEU 25 -2.617 -1.347 -0.269
190 HG LEU 25 HG LEU 25 -2.404 -2.321 2.571
191 1HD1 LEU 25 1HD1 LEU 25 -0.448 -0.921 1.036
192 2HD1 LEU 25 2HD1 LEU 25 -0.394 -1.398 2.729
193 3HD1 LEU 25 3HD1 LEU 25 -1.098 0.146 2.269
194 1HD2 LEU 25 1HD2 LEU 25 -3.345 -0.131 3.083
195 2HD2 LEU 25 2HD2 LEU 25 -4.400 -1.025 1.988
196 3HD2 LEU 25 3HD2 LEU 25 -3.377 0.269 1.365
197 H LYS 26 H LYS 26 -4.481 -2.779 -2.056
198 HA LYS 26 HA LYS 26 -3.887 -5.383 -3.155
199 1HB LYS 26 2HB LYS 26 -5.151 -2.852 -4.136
200 2HB LYS 26 1HB LYS 26 -4.773 -4.155 -5.248
201 1HG LYS 26 2HG LYS 26 -6.214 -5.015 -2.859
202 2HG LYS 26 1HG LYS 26 -7.105 -3.879 -3.877
203 1HD LYS 26 2HD LYS 26 -6.025 -5.603 -5.715
204 2HD LYS 26 1HD LYS 26 -6.384 -6.672 -4.357
205 1HE LYS 26 2HE LYS 26 -8.511 -4.757 -4.982
206 2HE LYS 26 1HE LYS 26 -8.167 -5.904 -6.278
207 1HZ LYS 26 1HZ LYS 26 -8.451 -6.919 -3.541
208 2HZ LYS 26 2HZ LYS 26 -8.818 -7.670 -5.011
209 3HZ LYS 26 3HZ LYS 26 -9.850 -6.483 -4.387
210 H ILE 27 H ILE 27 -1.649 -5.615 -3.417
211 HA ILE 27 HA ILE 27 -0.069 -3.517 -4.603
212 HB ILE 27 HB ILE 27 0.529 -6.322 -3.744
213 1HG1 ILE 27 2HG1 ILE 27 2.005 -5.242 -2.196
214 2HG1 ILE 27 1HG1 ILE 27 1.857 -3.705 -3.038
215 1HG2 ILE 27 1HG2 ILE 27 1.919 -4.868 -5.836
216 2HG2 ILE 27 2HG2 ILE 27 2.113 -6.536 -5.300
217 3HG2 ILE 27 3HG2 ILE 27 2.973 -5.239 -4.474
218 1HD1 ILE 27 1HD1 ILE 27 -0.193 -3.250 -2.132
219 2HD1 ILE 27 2HD1 ILE 27 0.560 -4.147 -0.817
220 3HD1 ILE 27 3HD1 ILE 27 -0.584 -4.952 -1.888
221 H LEU 28 H LEU 28 0.321 -3.193 -6.721
222 HA LEU 28 HA LEU 28 -0.299 -5.347 -8.611
223 1HB LEU 28 2HB LEU 28 -1.530 -2.613 -8.554
224 2HB LEU 28 1HB LEU 28 -1.459 -3.561 -10.028
225 HG LEU 28 HG LEU 28 -2.676 -4.721 -7.550
226 1HD1 LEU 28 1HD1 LEU 28 -3.605 -2.372 -8.777
227 2HD1 LEU 28 2HD1 LEU 28 -4.437 -3.380 -7.594
228 3HD1 LEU 28 3HD1 LEU 28 -4.669 -3.670 -9.317
229 1HD2 LEU 28 1HD2 LEU 28 -2.362 -5.466 -10.325
230 2HD2 LEU 28 2HD2 LEU 28 -4.062 -5.467 -9.850
231 3HD2 LEU 28 3HD2 LEU 28 -2.894 -6.438 -8.952
232 H ASN 29 H ASN 29 1.506 -2.408 -7.921
233 HA ASN 29 HA ASN 29 3.269 -3.162 -10.098
234 1HB ASN 29 2HB ASN 29 1.811 -1.682 -11.293
235 2HB ASN 29 1HB ASN 29 1.880 -0.485 -10.006
236 1HD2 ASN 29 1HD2 ASN 29 3.882 0.614 -9.651
237 2HD2 ASN 29 2HD2 ASN 29 4.975 0.853 -10.965
238 H MET 30 H MET 30 4.896 -3.458 -9.152
239 HA MET 30 HA MET 30 6.252 -1.508 -7.397
240 1HB MET 30 2HB MET 30 7.315 -3.579 -6.394
241 2HB MET 30 1HB MET 30 5.707 -3.109 -5.865
242 1HG MET 30 2HG MET 30 4.687 -4.860 -7.003
243 2HG MET 30 1HG MET 30 6.088 -5.126 -8.039
244 1HE MET 30 1HE MET 30 7.871 -6.243 -7.741
245 2HE MET 30 2HE MET 30 7.463 -7.848 -7.137
246 3HE MET 30 3HE MET 30 8.611 -6.840 -6.255
247 H GLU 31 H GLU 31 8.210 -1.001 -8.151
248 HA GLU 31 HA GLU 31 10.176 -2.430 -8.777
249 1HB GLU 31 2HB GLU 31 10.485 -3.004 -11.112
250 2HB GLU 31 1HB GLU 31 9.101 -3.824 -10.410
251 1HG GLU 31 2HG GLU 31 7.681 -1.982 -11.422
252 2HG GLU 31 1HG GLU 31 9.122 -1.512 -12.322
253 H ASP 32 H ASP 32 8.747 0.253 -10.460
254 HA ASP 32 HA ASP 32 11.345 1.320 -11.108
255 1HB ASP 32 2HB ASP 32 9.974 3.424 -11.670
256 2HB ASP 32 1HB ASP 32 9.702 1.998 -12.665
257 H ASP 33 H ASP 33 9.468 1.043 -8.424
258 HA ASP 33 HA ASP 33 10.940 3.146 -7.053
259 1HB ASP 33 2HB ASP 33 8.158 3.242 -7.654
260 2HB ASP 33 1HB ASP 33 8.328 3.030 -5.915
261 H SER 34 H SER 34 12.169 1.269 -6.253
262 HA SER 34 HA SER 34 11.026 -0.934 -4.948
263 1HB SER 34 2HB SER 34 13.408 -0.680 -5.769
264 2HB SER 34 1HB SER 34 13.722 0.264 -4.313
265 HG SER 34 HG SER 34 13.350 -1.509 -3.076
266 H ASN 35 H ASN 35 10.000 1.821 -3.978
267 HA ASN 35 HA ASN 35 10.326 1.195 -1.106
268 1HB ASN 35 2HB ASN 35 11.834 3.100 -2.294
269 2HB ASN 35 1HB ASN 35 10.436 4.048 -1.790
270 1HD2 ASN 35 1HD2 ASN 35 12.625 1.551 -0.541
271 2HD2 ASN 35 2HD2 ASN 35 12.753 2.217 1.047
272 H TRP 36 H TRP 36 8.486 2.722 -3.642
273 HA TRP 36 HA TRP 36 6.222 2.948 -1.778
274 1HB TRP 36 2HB TRP 36 6.788 4.820 -4.096
275 2HB TRP 36 1HB TRP 36 5.477 4.957 -2.928
276 HD1 TRP 36 HD TRP 36 9.209 5.602 -3.332
277 HE1 TRP 36 1HE TRP 36 10.049 6.993 -1.338
278 HE3 TRP 36 3HE TRP 36 4.998 5.494 -0.418
279 HZ2 TRP 36 2HZ TRP 36 9.060 7.910 1.143
280 HZ3 TRP 36 3HZ TRP 36 5.044 6.664 1.759
281 HH2 TRP 36 HH TRP 36 7.033 7.845 2.509
282 H TYR 37 H TYR 37 4.717 1.482 -2.342
283 HA TYR 37 HA TYR 37 4.837 0.398 -5.041
284 1HB TYR 37 2HB TYR 37 3.299 -0.506 -2.604
285 2HB TYR 37 1HB TYR 37 3.319 -1.351 -4.146
286 HD1 TYR 37 1HD TYR 37 4.041 -2.730 -1.682
287 HD2 TYR 37 2HD TYR 37 6.474 -0.419 -4.299
288 HE1 TYR 37 1HE TYR 37 6.018 -3.997 -0.954
289 HE2 TYR 37 2HE TYR 37 8.457 -1.680 -3.578
290 HH TYR 37 HH TYR 37 9.238 -3.055 -1.840
291 H ARG 38 H ARG 38 3.066 0.104 -6.394
292 HA ARG 38 HA ARG 38 1.023 2.175 -6.082
293 1HB ARG 38 2HB ARG 38 2.522 1.369 -8.306
294 2HB ARG 38 1HB ARG 38 0.960 0.606 -8.570
295 1HG ARG 38 2HG ARG 38 0.157 2.517 -9.333
296 2HG ARG 38 1HG ARG 38 0.481 3.279 -7.775
297 1HD ARG 38 2HD ARG 38 2.731 3.830 -8.485
298 2HD ARG 38 1HD ARG 38 2.479 2.999 -10.017
299 HE ARG 38 HE ARG 38 1.419 5.592 -9.229
300 1HH1 ARG 38 1HH1 ARG 38 1.450 3.002 -11.575
301 2HH1 ARG 38 2HH1 ARG 38 0.767 3.972 -12.834
302 1HH2 ARG 38 1HH2 ARG 38 0.513 6.860 -10.884
303 2HH2 ARG 38 2HH2 ARG 38 0.231 6.158 -12.443
304 H ALA 39 H ALA 39 -0.448 1.331 -4.762
305 HA ALA 39 HA ALA 39 -1.395 -1.390 -5.288
306 1HB ALA 39 1HB ALA 39 -0.421 -0.677 -2.999
307 2HB ALA 39 2HB ALA 39 -1.923 -1.603 -3.022
308 3HB ALA 39 3HB ALA 39 -1.967 0.143 -2.772
309 H GLU 40 H GLU 40 -3.717 -1.712 -4.592
310 HA GLU 40 HA GLU 40 -5.319 0.503 -5.677
311 1HB GLU 40 2HB GLU 40 -5.048 -1.615 -7.109
312 2HB GLU 40 1HB GLU 40 -6.113 -2.384 -5.943
313 1HG GLU 40 2HG GLU 40 -7.194 0.133 -6.858
314 2HG GLU 40 1HG GLU 40 -6.848 -0.954 -8.202
315 H LEU 41 H LEU 41 -7.337 0.895 -4.796
316 HA LEU 41 HA LEU 41 -8.347 -0.673 -2.594
317 1HB LEU 41 2HB LEU 41 -6.461 1.146 -1.944
318 2HB LEU 41 1HB LEU 41 -7.876 2.179 -1.927
319 HG LEU 41 HG LEU 41 -8.909 0.828 -0.209
320 1HD1 LEU 41 1HD1 LEU 41 -6.471 -0.932 -0.428
321 2HD1 LEU 41 2HD1 LEU 41 -8.121 -1.371 -0.871
322 3HD1 LEU 41 3HD1 LEU 41 -7.715 -1.057 0.815
323 1HD2 LEU 41 1HD2 LEU 41 -6.964 2.539 0.193
324 2HD2 LEU 41 2HD2 LEU 41 -6.123 1.109 0.783
325 3HD2 LEU 41 3HD2 LEU 41 -7.644 1.610 1.524
326 H ASP 42 H ASP 42 -10.512 -0.553 -2.649
327 HA ASP 42 HA ASP 42 -12.616 0.084 -3.227
328 1HB ASP 42 2HB ASP 42 -11.228 2.581 -2.591
329 2HB ASP 42 1HB ASP 42 -12.559 2.809 -3.720
330 H GLY 43 H GLY 43 -10.955 2.608 -5.088
331 1HA GLY 43 2HA GLY 43 -11.171 1.104 -7.550
332 2HA GLY 43 1HA GLY 43 -12.283 2.460 -7.432
333 H LYS 44 H LYS 44 -9.018 2.445 -6.063
334 HA LYS 44 HA LYS 44 -8.145 4.342 -8.149
335 1HB LYS 44 2HB LYS 44 -9.001 5.174 -5.748
336 2HB LYS 44 1HB LYS 44 -7.335 4.801 -5.331
337 1HG LYS 44 2HG LYS 44 -6.899 6.879 -6.012
338 2HG LYS 44 1HG LYS 44 -7.032 6.218 -7.644
339 1HD LYS 44 2HD LYS 44 -9.451 6.782 -7.615
340 2HD LYS 44 1HD LYS 44 -9.214 7.557 -6.048
341 1HE LYS 44 2HE LYS 44 -7.792 9.208 -6.979
342 2HE LYS 44 1HE LYS 44 -7.658 8.330 -8.503
343 1HZ LYS 44 1HZ LYS 44 -10.254 9.353 -7.522
344 2HZ LYS 44 2HZ LYS 44 -9.832 8.888 -9.093
345 3HZ LYS 44 3HZ LYS 44 -9.209 10.317 -8.439
346 H GLU 45 H GLU 45 -5.965 4.323 -8.622
347 HA GLU 45 HA GLU 45 -4.367 2.192 -7.376
348 1HB GLU 45 2HB GLU 45 -4.482 2.153 -9.847
349 2HB GLU 45 1HB GLU 45 -3.860 3.796 -9.906
350 1HG GLU 45 2HG GLU 45 -1.776 3.050 -9.891
351 2HG GLU 45 1HG GLU 45 -2.062 2.179 -8.385
352 H GLY 46 H GLY 46 -3.351 2.991 -5.574
353 1HA GLY 46 2HA GLY 46 -2.011 5.599 -5.914
354 2HA GLY 46 1HA GLY 46 -2.949 5.241 -4.483
355 H LEU 47 H LEU 47 -0.061 5.881 -5.153
356 HA LEU 47 HA LEU 47 1.621 3.771 -4.527
357 1HB LEU 47 2HB LEU 47 1.849 6.732 -4.176
358 2HB LEU 47 1HB LEU 47 3.172 5.661 -3.776
359 HG LEU 47 HG LEU 47 1.939 5.612 -6.509
360 1HD1 LEU 47 1HD1 LEU 47 3.002 7.924 -5.416
361 2HD1 LEU 47 2HD1 LEU 47 2.809 7.565 -7.131
362 3HD1 LEU 47 3HD1 LEU 47 4.341 7.225 -6.327
363 1HD2 LEU 47 1HD2 LEU 47 4.824 5.239 -5.865
364 2HD2 LEU 47 2HD2 LEU 47 3.853 4.519 -7.146
365 3HD2 LEU 47 3HD2 LEU 47 3.687 3.944 -5.488
366 H ILE 48 H ILE 48 2.590 3.114 -2.542
367 HA ILE 48 HA ILE 48 1.596 4.331 -0.081
368 HB ILE 48 HB ILE 48 0.924 2.204 0.911
369 1HG1 ILE 48 2HG1 ILE 48 0.456 0.509 -1.224
370 2HG1 ILE 48 1HG1 ILE 48 2.052 1.163 -1.579
371 1HG2 ILE 48 1HG2 ILE 48 -0.637 2.411 -1.622
372 2HG2 ILE 48 2HG2 ILE 48 -0.585 3.785 -0.517
373 3HG2 ILE 48 3HG2 ILE 48 -1.204 2.230 0.038
374 1HD1 ILE 48 1HD1 ILE 48 1.190 -0.670 0.546
375 2HD1 ILE 48 2HD1 ILE 48 2.366 0.553 1.018
376 3HD1 ILE 48 3HD1 ILE 48 2.728 -0.555 -0.305
377 HA PRO 49 HA PRO 49 5.917 4.162 1.170
378 1HB PRO 49 2HB PRO 49 4.833 3.630 3.814
379 2HB PRO 49 1HB PRO 49 5.743 5.017 3.231
380 1HG PRO 49 2HG PRO 49 2.861 4.714 3.527
381 2HG PRO 49 1HG PRO 49 3.808 6.175 3.227
382 1HD PRO 49 2HD PRO 49 2.136 5.075 1.383
383 2HD PRO 49 1HD PRO 49 3.582 5.996 0.934
384 H SER 50 H SER 50 7.356 2.542 1.507
385 HA SER 50 HA SER 50 6.513 -0.218 1.401
386 1HB SER 50 2HB SER 50 8.870 -0.730 1.218
387 2HB SER 50 1HB SER 50 8.469 0.609 0.150
388 HG SER 50 HG SER 50 10.419 0.719 1.643
389 H ASN 51 H ASN 51 8.226 1.689 3.867
390 HA ASN 51 HA ASN 51 8.809 -0.471 5.542
391 1HB ASN 51 2HB ASN 51 9.198 2.336 5.532
392 2HB ASN 51 1HB ASN 51 8.563 1.893 7.112
393 1HD2 ASN 51 1HD2 ASN 51 10.267 1.923 8.411
394 2HD2 ASN 51 2HD2 ASN 51 11.745 1.068 8.147
395 H TYR 52 H TYR 52 5.753 1.032 5.142
396 HA TYR 52 HA TYR 52 4.877 0.362 7.853
397 1HB TYR 52 2HB TYR 52 3.494 1.733 5.544
398 2HB TYR 52 1HB TYR 52 2.719 1.402 7.087
399 HD1 TYR 52 1HD TYR 52 6.218 2.574 6.557
400 HD2 TYR 52 2HD TYR 52 2.294 3.573 7.862
401 HE1 TYR 52 1HE TYR 52 7.060 4.706 7.431
402 HE2 TYR 52 2HE TYR 52 3.128 5.709 8.741
403 HH TYR 52 HH TYR 52 5.051 6.834 9.345
404 H ILE 53 H ILE 53 5.173 -1.305 4.975
405 HA ILE 53 HA ILE 53 3.214 -3.211 5.917
406 HB ILE 53 HB ILE 53 1.710 -2.842 4.318
407 1HG1 ILE 53 2HG1 ILE 53 3.126 -4.511 2.992
408 2HG1 ILE 53 1HG1 ILE 53 1.956 -3.550 2.114
409 1HG2 ILE 53 1HG2 ILE 53 1.613 -0.797 3.458
410 2HG2 ILE 53 2HG2 ILE 53 3.054 -1.046 2.482
411 3HG2 ILE 53 3HG2 ILE 53 3.206 -0.540 4.157
412 1HD1 ILE 53 1HD1 ILE 53 4.646 -3.856 1.528
413 2HD1 ILE 53 2HD1 ILE 53 4.508 -2.228 2.190
414 3HD1 ILE 53 3HD1 ILE 53 3.520 -2.705 0.810
415 H GLU 54 H GLU 54 3.326 -5.277 4.807
416 HA GLU 54 HA GLU 54 5.753 -6.008 3.375
417 1HB GLU 54 2HB GLU 54 5.058 -7.889 5.542
418 2HB GLU 54 1HB GLU 54 6.632 -7.429 4.921
419 1HG GLU 54 2HG GLU 54 6.972 -6.249 6.751
420 2HG GLU 54 1HG GLU 54 5.639 -5.190 6.310
421 H MET 55 H MET 55 5.476 -8.126 2.357
422 HA MET 55 HA MET 55 2.800 -8.560 1.491
423 1HB MET 55 2HB MET 55 5.013 -9.094 0.259
424 2HB MET 55 1HB MET 55 4.971 -10.605 1.160
425 1HG MET 55 2HG MET 55 2.580 -10.831 0.235
426 2HG MET 55 1HG MET 55 3.077 -9.603 -0.926
427 1HE MET 55 1HE MET 55 4.164 -13.725 -0.090
428 2HE MET 55 2HE MET 55 3.020 -13.734 -1.433
429 3HE MET 55 3HE MET 55 2.631 -12.860 0.049
430 H LYS 56 H LYS 56 1.212 -9.691 2.396
431 HA LYS 56 HA LYS 56 0.803 -12.035 3.203
432 1HB LYS 56 2HB LYS 56 2.829 -12.163 4.610
433 2HB LYS 56 1HB LYS 56 2.228 -10.839 5.599
434 1HG LYS 56 2HG LYS 56 0.844 -12.162 6.753
435 2HG LYS 56 1HG LYS 56 0.426 -13.138 5.342
436 1HD LYS 56 2HD LYS 56 2.372 -14.446 5.537
437 2HD LYS 56 1HD LYS 56 3.125 -13.302 6.648
438 1HE LYS 56 2HE LYS 56 0.860 -13.964 8.001
439 2HE LYS 56 1HE LYS 56 1.227 -15.475 7.170
440 1HZ LYS 56 1HZ LYS 56 3.637 -14.702 8.127
441 2HZ LYS 56 2HZ LYS 56 2.614 -15.830 8.862
442 3HZ LYS 56 3HZ LYS 56 2.590 -14.216 9.364
443 H ASN 57 H ASN 57 -0.567 -9.927 2.476
444 HA ASN 57 HA ASN 57 -1.980 -8.460 4.370
445 1HB ASN 57 2HB ASN 57 -3.680 -8.268 2.645
446 2HB ASN 57 1HB ASN 57 -2.077 -7.982 1.998
447 1HD2 ASN 57 1HD2 ASN 57 -4.823 -9.181 1.095
448 2HD2 ASN 57 2HD2 ASN 57 -4.331 -10.536 0.151
449 H HIS 58 H HIS 58 -3.350 -9.035 5.827
450 HA HIS 58 HA HIS 58 -4.783 -11.578 5.529
451 1HB HIS 58 2HB HIS 58 -2.965 -11.232 7.400
452 2HB HIS 58 1HB HIS 58 -4.274 -10.416 8.241
453 HD1 HIS 58 1HD HIS 58 -6.638 -12.159 7.947
454 HD2 HIS 58 2HD HIS 58 -2.817 -13.749 8.306
455 HE1 HIS 58 1HE HIS 58 -6.964 -14.499 8.784
456 HE2 HIS 58 2HE HIS 58 -4.649 -15.484 8.870
457 H ASP 59 H ASP 59 -6.084 -10.475 8.251
458 HA ASP 59 HA ASP 59 -8.133 -8.885 6.864
459 1HB ASP 59 2HB ASP 59 -8.583 -11.397 7.606
460 2HB ASP 59 1HB ASP 59 -8.883 -10.632 9.163
Start of MODEL 4
1 1H MET 1 1HT MET 1 -3.783 -10.839 -5.502
2 2H MET 1 2HT MET 1 -2.666 -11.620 -6.547
3 3H MET 1 3HT MET 1 -3.002 -9.948 -6.740
4 HA MET 1 HA MET 1 -1.365 -11.312 -4.753
5 1HB MET 1 2HB MET 1 -1.183 -8.805 -6.403
6 2HB MET 1 1HB MET 1 -0.022 -9.228 -5.151
7 1HG MET 1 2HG MET 1 0.287 -11.419 -6.411
8 2HG MET 1 1HG MET 1 -0.572 -10.636 -7.737
9 1HE MET 1 1HE MET 1 2.997 -11.595 -7.239
10 2HE MET 1 2HE MET 1 3.194 -10.766 -8.784
11 3HE MET 1 3HE MET 1 1.782 -11.785 -8.503
12 H GLU 2 H GLU 2 -1.148 -10.710 -2.714
13 HA GLU 2 HA GLU 2 -2.668 -8.383 -1.813
14 1HB GLU 2 2HB GLU 2 -3.367 -9.686 0.214
15 2HB GLU 2 1HB GLU 2 -4.123 -10.167 -1.298
16 1HG GLU 2 2HG GLU 2 -1.726 -11.688 -0.834
17 2HG GLU 2 1HG GLU 2 -2.818 -11.797 0.545
18 H ALA 3 H ALA 3 -1.867 -7.313 -0.080
19 HA ALA 3 HA ALA 3 0.567 -8.121 1.255
20 1HB ALA 3 1HB ALA 3 0.653 -6.406 -0.879
21 2HB ALA 3 2HB ALA 3 1.869 -6.529 0.390
22 3HB ALA 3 3HB ALA 3 0.594 -5.315 0.504
23 H ILE 4 H ILE 4 0.662 -7.347 3.393
24 HA ILE 4 HA ILE 4 -1.730 -5.874 4.275
25 HB ILE 4 HB ILE 4 -1.316 -8.101 5.312
26 1HG1 ILE 4 2HG1 ILE 4 -2.355 -5.937 6.448
27 2HG1 ILE 4 1HG1 ILE 4 -2.161 -7.440 7.335
28 1HG2 ILE 4 1HG2 ILE 4 0.539 -8.017 7.139
29 2HG2 ILE 4 2HG2 ILE 4 1.253 -6.794 6.091
30 3HG2 ILE 4 3HG2 ILE 4 0.951 -8.416 5.473
31 1HD1 ILE 4 1HD1 ILE 4 -1.309 -6.019 8.868
32 2HD1 ILE 4 2HD1 ILE 4 -0.788 -4.848 7.666
33 3HD1 ILE 4 3HD1 ILE 4 0.171 -6.294 7.954
34 H ALA 5 H ALA 5 -1.410 -4.223 5.964
35 HA ALA 5 HA ALA 5 1.296 -3.128 5.979
36 1HB ALA 5 1HB ALA 5 -0.215 -2.091 4.205
37 2HB ALA 5 2HB ALA 5 0.624 -0.993 5.302
38 3HB ALA 5 3HB ALA 5 -1.075 -1.356 5.557
39 H LYS 6 H LYS 6 1.761 -3.269 8.228
40 HA LYS 6 HA LYS 6 -0.404 -2.104 9.890
41 1HB LYS 6 2HB LYS 6 0.925 -3.156 11.805
42 2HB LYS 6 1HB LYS 6 0.111 -4.276 10.721
43 1HG LYS 6 2HG LYS 6 2.030 -5.307 10.337
44 2HG LYS 6 1HG LYS 6 2.702 -3.822 9.669
45 1HD LYS 6 2HD LYS 6 4.154 -3.847 11.352
46 2HD LYS 6 1HD LYS 6 2.808 -3.432 12.414
47 1HE LYS 6 2HE LYS 6 3.699 -6.230 11.724
48 2HE LYS 6 1HE LYS 6 4.068 -5.381 13.224
49 1HZ LYS 6 1HZ LYS 6 1.723 -5.293 13.732
50 2HZ LYS 6 2HZ LYS 6 2.187 -6.896 13.458
51 3HZ LYS 6 3HZ LYS 6 1.337 -6.049 12.267
52 H HIS 7 H HIS 7 0.093 -0.014 9.462
53 HA HIS 7 HA HIS 7 1.608 1.172 11.336
54 1HB HIS 7 2HB HIS 7 2.964 0.910 8.703
55 2HB HIS 7 1HB HIS 7 2.994 2.516 9.418
56 HD1 HIS 7 1HD HIS 7 3.068 0.859 12.357
57 HD2 HIS 7 2HD HIS 7 5.820 0.974 9.252
58 HE1 HIS 7 1HE HIS 7 5.258 0.210 13.381
59 HE2 HIS 7 2HE HIS 7 6.935 0.399 11.508
60 H ASP 8 H ASP 8 0.209 3.102 11.650
61 HA ASP 8 HA ASP 8 -1.792 3.473 9.662
62 1HB ASP 8 2HB ASP 8 -0.958 5.611 11.641
63 2HB ASP 8 1HB ASP 8 -2.515 5.444 10.835
64 H PHE 9 H PHE 9 -1.956 5.377 8.200
65 HA PHE 9 HA PHE 9 0.303 7.077 7.879
66 1HB PHE 9 2HB PHE 9 1.133 4.886 6.865
67 2HB PHE 9 1HB PHE 9 -0.034 5.169 5.580
68 HD1 PHE 9 1HD PHE 9 2.865 6.698 7.308
69 HD2 PHE 9 2HD PHE 9 0.514 6.534 3.771
70 HE1 PHE 9 1HE PHE 9 4.521 8.103 6.156
71 HE2 PHE 9 2HE PHE 9 2.161 7.946 2.609
72 HZ PHE 9 HZ PHE 9 4.167 8.732 3.803
73 H SER 10 H SER 10 0.228 8.512 6.190
74 HA SER 10 HA SER 10 -2.238 8.648 4.681
75 1HB SER 10 2HB SER 10 -1.911 10.209 6.995
76 2HB SER 10 1HB SER 10 -1.654 11.311 5.644
77 HG SER 10 HG SER 10 -3.668 10.502 4.785
78 H ALA 11 H ALA 11 -1.330 8.479 2.766
79 HA ALA 11 HA ALA 11 0.861 8.881 1.462
80 1HB ALA 11 1HB ALA 11 -1.876 9.789 0.842
81 2HB ALA 11 2HB ALA 11 -0.862 8.594 0.042
82 3HB ALA 11 3HB ALA 11 -0.581 10.314 -0.233
83 H THR 12 H THR 12 2.210 10.225 0.616
84 HA THR 12 HA THR 12 2.317 12.933 1.723
85 HB THR 12 HB THR 12 4.298 10.792 1.265
86 HG1 THR 12 1HG THR 12 4.655 13.179 2.731
87 1HG2 THR 12 1HG2 THR 12 5.097 13.606 0.496
88 2HG2 THR 12 2HG2 THR 12 5.106 12.184 -0.549
89 3HG2 THR 12 3HG2 THR 12 6.200 12.271 0.832
90 H ALA 13 H ALA 13 1.516 11.278 -1.045
91 HA ALA 13 HA ALA 13 1.783 13.712 -2.687
92 1HB ALA 13 1HB ALA 13 2.913 12.696 -4.346
93 2HB ALA 13 2HB ALA 13 1.931 11.237 -4.234
94 3HB ALA 13 3HB ALA 13 3.309 11.457 -3.156
95 H ASP 14 H ASP 14 0.022 13.869 -4.329
96 HA ASP 14 HA ASP 14 -2.500 13.152 -3.385
97 1HB ASP 14 2HB ASP 14 -1.612 13.906 -6.172
98 2HB ASP 14 1HB ASP 14 -3.294 13.731 -5.689
99 H ASP 15 H ASP 15 -0.425 11.611 -5.767
100 HA ASP 15 HA ASP 15 -2.411 9.569 -6.347
101 1HB ASP 15 2HB ASP 15 -0.568 8.662 -7.835
102 2HB ASP 15 1HB ASP 15 -1.116 10.287 -8.235
103 H GLU 16 H GLU 16 -1.390 9.833 -3.634
104 HA GLU 16 HA GLU 16 -0.162 7.188 -3.346
105 1HB GLU 16 2HB GLU 16 0.379 9.751 -1.889
106 2HB GLU 16 1HB GLU 16 0.665 8.208 -1.104
107 1HG GLU 16 2HG GLU 16 1.922 7.837 -3.458
108 2HG GLU 16 1HG GLU 16 2.164 9.558 -3.223
109 H LEU 17 H LEU 17 -1.523 5.828 -2.523
110 HA LEU 17 HA LEU 17 -4.038 6.609 -1.376
111 1HB LEU 17 2HB LEU 17 -3.231 4.475 -2.753
112 2HB LEU 17 1HB LEU 17 -3.030 3.833 -1.133
113 HG LEU 17 HG LEU 17 -5.439 4.561 -0.709
114 1HD1 LEU 17 1HD1 LEU 17 -5.635 6.060 -2.637
115 2HD1 LEU 17 2HD1 LEU 17 -6.864 4.795 -2.661
116 3HD1 LEU 17 3HD1 LEU 17 -5.460 4.681 -3.722
117 1HD2 LEU 17 1HD2 LEU 17 -4.468 2.306 -2.350
118 2HD2 LEU 17 2HD2 LEU 17 -6.206 2.586 -2.322
119 3HD2 LEU 17 3HD2 LEU 17 -5.338 2.308 -0.814
120 H SER 18 H SER 18 -4.529 6.859 0.726
121 HA SER 18 HA SER 18 -2.553 6.244 2.785
122 1HB SER 18 2HB SER 18 -4.170 7.389 4.315
123 2HB SER 18 1HB SER 18 -3.635 8.402 2.975
124 HG SER 18 HG SER 18 -6.016 6.885 2.875
125 H PHE 19 H PHE 19 -3.410 5.267 4.853
126 HA PHE 19 HA PHE 19 -5.649 3.533 4.795
127 1HB PHE 19 2HB PHE 19 -4.489 1.362 4.760
128 2HB PHE 19 1HB PHE 19 -4.250 2.238 3.252
129 HD1 PHE 19 1HD PHE 19 -2.634 1.478 6.506
130 HD2 PHE 19 2HD PHE 19 -2.107 2.637 2.446
131 HE1 PHE 19 1HE PHE 19 -0.199 1.223 6.752
132 HE2 PHE 19 2HE PHE 19 0.327 2.383 2.687
133 HZ PHE 19 HZ PHE 19 1.284 1.676 4.840
134 H ARG 20 H ARG 20 -5.335 1.737 6.598
135 HA ARG 20 HA ARG 20 -4.296 3.195 8.941
136 1HB ARG 20 2HB ARG 20 -6.632 1.294 8.721
137 2HB ARG 20 1HB ARG 20 -6.028 1.948 10.238
138 1HG ARG 20 2HG ARG 20 -6.877 3.761 8.015
139 2HG ARG 20 1HG ARG 20 -8.052 3.058 9.125
140 1HD ARG 20 2HD ARG 20 -5.636 4.619 10.014
141 2HD ARG 20 1HD ARG 20 -7.221 5.343 9.755
142 HE ARG 20 HE ARG 20 -6.383 3.982 12.060
143 1HH1 ARG 20 1HH1 ARG 20 -9.157 4.165 9.936
144 2HH1 ARG 20 2HH1 ARG 20 -10.280 3.715 11.173
145 1HH2 ARG 20 1HH2 ARG 20 -7.873 3.423 13.684
146 2HH2 ARG 20 2HH2 ARG 20 -9.557 3.306 13.297
147 H LYS 21 H LYS 21 -3.761 1.701 10.878
148 HA LYS 21 HA LYS 21 -1.861 -0.249 10.094
149 1HB LYS 21 2HB LYS 21 -2.775 1.005 12.514
150 2HB LYS 21 1HB LYS 21 -2.792 -0.734 12.755
151 1HG LYS 21 2HG LYS 21 -0.594 -0.801 12.973
152 2HG LYS 21 1HG LYS 21 -0.355 0.093 11.474
153 1HD LYS 21 2HD LYS 21 0.619 1.437 13.137
154 2HD LYS 21 1HD LYS 21 -0.949 2.171 12.811
155 1HE LYS 21 2HE LYS 21 -1.892 1.091 14.768
156 2HE LYS 21 1HE LYS 21 -0.359 0.282 15.083
157 1HZ LYS 21 1HZ LYS 21 0.052 3.069 14.858
158 2HZ LYS 21 2HZ LYS 21 0.352 2.053 16.176
159 3HZ LYS 21 3HZ LYS 21 -1.168 2.771 15.993
160 H THR 22 H THR 22 -2.131 -2.443 9.828
161 HA THR 22 HA THR 22 -3.028 -4.515 10.002
162 HB THR 22 HB THR 22 -5.389 -3.185 11.326
163 HG1 THR 22 1HG THR 22 -3.144 -3.335 12.332
164 1HG2 THR 22 1HG2 THR 22 -6.378 -5.144 10.796
165 2HG2 THR 22 2HG2 THR 22 -5.520 -5.655 12.250
166 3HG2 THR 22 3HG2 THR 22 -4.851 -6.014 10.657
167 H GLN 23 H GLN 23 -4.324 -2.014 8.103
168 HA GLN 23 HA GLN 23 -6.244 -3.875 6.944
169 1HB GLN 23 2HB GLN 23 -6.129 -1.021 6.934
170 2HB GLN 23 1HB GLN 23 -6.221 -1.619 5.282
171 1HG GLN 23 2HG GLN 23 -8.241 -2.744 5.690
172 2HG GLN 23 1HG GLN 23 -8.070 -2.584 7.438
173 1HE2 GLN 23 1HE2 GLN 23 -9.690 -1.460 4.844
174 2HE2 GLN 23 2HE2 GLN 23 -10.136 0.105 5.423
175 H ILE 24 H ILE 24 -6.177 -4.811 5.020
176 HA ILE 24 HA ILE 24 -3.541 -5.181 3.900
177 HB ILE 24 HB ILE 24 -5.989 -6.420 2.707
178 1HG1 ILE 24 2HG1 ILE 24 -4.781 -8.006 4.851
179 2HG1 ILE 24 1HG1 ILE 24 -5.576 -6.555 5.444
180 1HG2 ILE 24 1HG2 ILE 24 -3.891 -6.853 1.623
181 2HG2 ILE 24 2HG2 ILE 24 -4.437 -8.326 2.426
182 3HG2 ILE 24 3HG2 ILE 24 -3.161 -7.346 3.150
183 1HD1 ILE 24 1HD1 ILE 24 -6.735 -9.012 4.694
184 2HD1 ILE 24 2HD1 ILE 24 -7.283 -7.794 3.542
185 3HD1 ILE 24 3HD1 ILE 24 -7.538 -7.551 5.270
186 H LEU 25 H LEU 25 -2.844 -4.678 1.857
187 HA LEU 25 HA LEU 25 -4.609 -2.916 0.288
188 1HB LEU 25 2HB LEU 25 -1.649 -2.779 0.775
189 2HB LEU 25 1HB LEU 25 -2.427 -1.909 -0.535
190 HG LEU 25 HG LEU 25 -3.960 -1.199 1.643
191 1HD1 LEU 25 1HD1 LEU 25 -1.171 -1.763 2.507
192 2HD1 LEU 25 2HD1 LEU 25 -2.688 -1.934 3.391
193 3HD1 LEU 25 3HD1 LEU 25 -1.985 -0.336 3.149
194 1HD2 LEU 25 1HD2 LEU 25 -2.490 0.927 1.516
195 2HD2 LEU 25 2HD2 LEU 25 -3.437 0.447 0.109
196 3HD2 LEU 25 3HD2 LEU 25 -1.709 0.101 0.169
197 H LYS 26 H LYS 26 -4.558 -3.049 -1.973
198 HA LYS 26 HA LYS 26 -3.899 -5.669 -3.031
199 1HB LYS 26 2HB LYS 26 -5.973 -4.174 -3.457
200 2HB LYS 26 1HB LYS 26 -4.931 -3.334 -4.597
201 1HG LYS 26 2HG LYS 26 -5.396 -4.868 -6.125
202 2HG LYS 26 1HG LYS 26 -4.640 -6.091 -5.106
203 1HD LYS 26 2HD LYS 26 -6.846 -6.236 -3.878
204 2HD LYS 26 1HD LYS 26 -7.531 -5.262 -5.181
205 1HE LYS 26 2HE LYS 26 -7.573 -6.994 -6.596
206 2HE LYS 26 1HE LYS 26 -5.960 -7.533 -6.128
207 1HZ LYS 26 1HZ LYS 26 -7.704 -8.033 -3.997
208 2HZ LYS 26 2HZ LYS 26 -6.882 -9.151 -4.963
209 3HZ LYS 26 3HZ LYS 26 -8.429 -8.631 -5.404
210 H ILE 27 H ILE 27 -1.683 -5.800 -3.307
211 HA ILE 27 HA ILE 27 -0.156 -3.679 -4.525
212 HB ILE 27 HB ILE 27 1.661 -5.468 -4.601
213 1HG1 ILE 27 2HG1 ILE 27 -0.250 -6.872 -2.722
214 2HG1 ILE 27 1HG1 ILE 27 0.045 -7.384 -4.382
215 1HG2 ILE 27 1HG2 ILE 27 1.260 -3.609 -2.904
216 2HG2 ILE 27 2HG2 ILE 27 2.285 -4.956 -2.405
217 3HG2 ILE 27 3HG2 ILE 27 0.610 -4.869 -1.860
218 1HD1 ILE 27 1HD1 ILE 27 2.524 -7.076 -2.968
219 2HD1 ILE 27 2HD1 ILE 27 1.852 -8.498 -3.765
220 3HD1 ILE 27 3HD1 ILE 27 1.431 -8.145 -2.089
221 H LEU 28 H LEU 28 0.373 -3.428 -6.638
222 HA LEU 28 HA LEU 28 0.018 -5.663 -8.471
223 1HB LEU 28 2HB LEU 28 -1.480 -4.567 -9.931
224 2HB LEU 28 1HB LEU 28 -2.170 -4.517 -8.320
225 HG LEU 28 HG LEU 28 -0.776 -2.132 -8.483
226 1HD1 LEU 28 1HD1 LEU 28 -0.461 -2.560 -10.907
227 2HD1 LEU 28 2HD1 LEU 28 -1.380 -1.101 -10.554
228 3HD1 LEU 28 3HD1 LEU 28 -2.214 -2.555 -11.094
229 1HD2 LEU 28 1HD2 LEU 28 -3.652 -2.894 -8.828
230 2HD2 LEU 28 2HD2 LEU 28 -3.141 -1.207 -8.888
231 3HD2 LEU 28 3HD2 LEU 28 -2.852 -2.165 -7.435
232 H ASN 29 H ASN 29 1.545 -2.612 -7.740
233 HA ASN 29 HA ASN 29 3.370 -3.209 -9.906
234 1HB ASN 29 2HB ASN 29 1.890 -1.802 -11.129
235 2HB ASN 29 1HB ASN 29 1.757 -0.663 -9.802
236 1HD2 ASN 29 1HD2 ASN 29 3.870 0.393 -9.175
237 2HD2 ASN 29 2HD2 ASN 29 4.883 0.901 -10.473
238 H MET 30 H MET 30 4.959 -3.465 -8.909
239 HA MET 30 HA MET 30 6.253 -1.490 -7.146
240 1HB MET 30 2HB MET 30 7.323 -3.535 -6.088
241 2HB MET 30 1HB MET 30 5.705 -3.067 -5.588
242 1HG MET 30 2HG MET 30 5.086 -4.800 -7.540
243 2HG MET 30 1HG MET 30 6.631 -5.470 -7.021
244 1HE MET 30 1HE MET 30 3.510 -7.500 -5.564
245 2HE MET 30 2HE MET 30 4.109 -6.931 -7.121
246 3HE MET 30 3HE MET 30 2.836 -6.039 -6.288
247 H GLU 31 H GLU 31 8.223 -0.946 -7.931
248 HA GLU 31 HA GLU 31 10.205 -2.371 -8.519
249 1HB GLU 31 2HB GLU 31 8.473 -3.083 -10.685
250 2HB GLU 31 1HB GLU 31 9.995 -2.461 -11.296
251 1HG GLU 31 2HG GLU 31 10.384 -4.303 -9.092
252 2HG GLU 31 1HG GLU 31 9.503 -5.033 -10.433
253 H ASP 32 H ASP 32 8.729 0.184 -10.358
254 HA ASP 32 HA ASP 32 11.260 1.273 -11.160
255 1HB ASP 32 2HB ASP 32 8.453 2.393 -11.215
256 2HB ASP 32 1HB ASP 32 9.855 3.323 -11.732
257 H ASP 33 H ASP 33 9.519 1.146 -8.342
258 HA ASP 33 HA ASP 33 11.117 3.271 -7.169
259 1HB ASP 33 2HB ASP 33 8.498 3.726 -7.787
260 2HB ASP 33 1HB ASP 33 8.363 3.138 -6.132
261 H SER 34 H SER 34 12.316 1.494 -6.203
262 HA SER 34 HA SER 34 11.154 -0.658 -4.846
263 1HB SER 34 2HB SER 34 13.817 0.574 -4.162
264 2HB SER 34 1HB SER 34 13.324 -1.112 -4.009
265 HG SER 34 HG SER 34 13.367 -1.320 -6.210
266 H ASN 35 H ASN 35 10.076 2.116 -4.042
267 HA ASN 35 HA ASN 35 10.270 1.636 -1.145
268 1HB ASN 35 2HB ASN 35 11.322 3.900 -2.684
269 2HB ASN 35 1HB ASN 35 10.354 4.353 -1.285
270 1HD2 ASN 35 1HD2 ASN 35 10.931 3.302 0.769
271 2HD2 ASN 35 2HD2 ASN 35 12.604 3.007 1.087
272 H TRP 36 H TRP 36 8.555 3.034 -3.852
273 HA TRP 36 HA TRP 36 6.196 3.340 -2.126
274 1HB TRP 36 2HB TRP 36 6.975 5.064 -4.495
275 2HB TRP 36 1HB TRP 36 5.459 5.184 -3.614
276 HD1 TRP 36 HD TRP 36 8.880 6.582 -3.644
277 HE1 TRP 36 1HE TRP 36 9.312 7.972 -1.522
278 HE3 TRP 36 3HE TRP 36 4.836 5.135 -0.884
279 HZ2 TRP 36 2HZ TRP 36 8.100 8.392 0.990
280 HZ3 TRP 36 3HZ TRP 36 4.541 6.079 1.379
281 HH2 TRP 36 HH TRP 36 6.143 7.674 2.288
282 H TYR 37 H TYR 37 4.784 1.809 -2.619
283 HA TYR 37 HA TYR 37 4.900 0.509 -5.225
284 1HB TYR 37 2HB TYR 37 3.727 -0.185 -2.560
285 2HB TYR 37 1HB TYR 37 3.175 -1.023 -4.000
286 HD1 TYR 37 1HD TYR 37 6.662 -0.013 -3.972
287 HD2 TYR 37 2HD TYR 37 3.936 -3.094 -2.885
288 HE1 TYR 37 1HE TYR 37 8.537 -1.595 -3.756
289 HE2 TYR 37 2HE TYR 37 5.800 -4.682 -2.667
290 HH TYR 37 HH TYR 37 8.832 -4.134 -3.893
291 H ARG 38 H ARG 38 3.062 0.037 -6.476
292 HA ARG 38 HA ARG 38 0.937 2.041 -6.214
293 1HB ARG 38 2HB ARG 38 2.384 1.627 -8.415
294 2HB ARG 38 1HB ARG 38 1.266 0.289 -8.631
295 1HG ARG 38 2HG ARG 38 0.025 1.784 -9.727
296 2HG ARG 38 1HG ARG 38 -0.452 2.321 -8.115
297 1HD ARG 38 2HD ARG 38 0.198 4.233 -9.412
298 2HD ARG 38 1HD ARG 38 1.409 3.957 -8.166
299 HE ARG 38 HE ARG 38 2.803 2.947 -9.918
300 1HH1 ARG 38 1HH1 ARG 38 0.196 5.063 -10.906
301 2HH1 ARG 38 2HH1 ARG 38 0.923 5.441 -12.428
302 1HH2 ARG 38 1HH2 ARG 38 3.747 3.455 -11.922
303 2HH2 ARG 38 2HH2 ARG 38 2.933 4.532 -13.005
304 H ALA 39 H ALA 39 -0.542 1.205 -4.941
305 HA ALA 39 HA ALA 39 -1.404 -1.574 -5.354
306 1HB ALA 39 1HB ALA 39 -0.895 -1.714 -3.160
307 2HB ALA 39 2HB ALA 39 -2.428 -0.876 -2.919
308 3HB ALA 39 3HB ALA 39 -0.921 0.036 -2.949
309 H GLU 40 H GLU 40 -3.769 -1.869 -4.590
310 HA GLU 40 HA GLU 40 -5.316 0.430 -5.523
311 1HB GLU 40 2HB GLU 40 -6.464 -0.703 -7.124
312 2HB GLU 40 1HB GLU 40 -4.980 -1.636 -7.160
313 1HG GLU 40 2HG GLU 40 -5.945 -3.449 -6.201
314 2HG GLU 40 1HG GLU 40 -7.190 -2.529 -5.373
315 H LEU 41 H LEU 41 -7.452 0.624 -4.746
316 HA LEU 41 HA LEU 41 -8.396 -1.119 -2.656
317 1HB LEU 41 2HB LEU 41 -6.684 0.201 -1.495
318 2HB LEU 41 1HB LEU 41 -7.467 1.674 -2.023
319 HG LEU 41 HG LEU 41 -9.121 -0.213 -0.452
320 1HD1 LEU 41 1HD1 LEU 41 -7.343 -0.393 0.999
321 2HD1 LEU 41 2HD1 LEU 41 -8.144 1.055 1.609
322 3HD1 LEU 41 3HD1 LEU 41 -6.710 1.204 0.593
323 1HD2 LEU 41 1HD2 LEU 41 -9.281 2.432 -1.377
324 2HD2 LEU 41 2HD2 LEU 41 -9.110 2.535 0.376
325 3HD2 LEU 41 3HD2 LEU 41 -10.417 1.584 -0.327
326 H ASP 42 H ASP 42 -10.533 -1.079 -2.657
327 HA ASP 42 HA ASP 42 -12.664 -0.566 -3.260
328 1HB ASP 42 2HB ASP 42 -11.531 1.686 -1.824
329 2HB ASP 42 1HB ASP 42 -12.843 2.187 -2.881
330 H GLY 43 H GLY 43 -10.298 0.219 -5.321
331 1HA GLY 43 2HA GLY 43 -11.027 0.341 -7.663
332 2HA GLY 43 1HA GLY 43 -12.186 1.553 -7.157
333 H LYS 44 H LYS 44 -8.998 1.852 -5.741
334 HA LYS 44 HA LYS 44 -8.353 3.924 -7.740
335 1HB LYS 44 2HB LYS 44 -8.007 4.074 -4.731
336 2HB LYS 44 1HB LYS 44 -7.478 5.296 -5.878
337 1HG LYS 44 2HG LYS 44 -10.277 4.711 -6.234
338 2HG LYS 44 1HG LYS 44 -9.929 5.154 -4.562
339 1HD LYS 44 2HD LYS 44 -9.029 6.760 -6.951
340 2HD LYS 44 1HD LYS 44 -10.509 7.082 -6.046
341 1HE LYS 44 2HE LYS 44 -9.236 8.431 -4.796
342 2HE LYS 44 1HE LYS 44 -8.638 6.948 -4.055
343 1HZ LYS 44 1HZ LYS 44 -7.131 7.261 -6.323
344 2HZ LYS 44 2HZ LYS 44 -6.638 7.582 -4.738
345 3HZ LYS 44 3HZ LYS 44 -7.261 8.827 -5.697
346 H GLU 45 H GLU 45 -6.231 4.019 -8.387
347 HA GLU 45 HA GLU 45 -4.395 2.008 -7.276
348 1HB GLU 45 2HB GLU 45 -4.884 2.282 -9.825
349 2HB GLU 45 1HB GLU 45 -3.833 3.686 -9.714
350 1HG GLU 45 2HG GLU 45 -1.956 2.439 -9.505
351 2HG GLU 45 1HG GLU 45 -2.770 1.174 -8.583
352 H GLY 46 H GLY 46 -3.316 2.911 -5.510
353 1HA GLY 46 2HA GLY 46 -2.079 5.545 -6.030
354 2HA GLY 46 1HA GLY 46 -2.955 5.252 -4.544
355 H LEU 47 H LEU 47 -0.115 5.952 -5.286
356 HA LEU 47 HA LEU 47 1.581 3.848 -4.582
357 1HB LEU 47 2HB LEU 47 1.839 6.805 -4.714
358 2HB LEU 47 1HB LEU 47 3.143 5.866 -4.014
359 HG LEU 47 HG LEU 47 2.213 4.886 -6.620
360 1HD1 LEU 47 1HD1 LEU 47 2.672 6.658 -7.942
361 2HD1 LEU 47 2HD1 LEU 47 3.913 7.284 -6.857
362 3HD1 LEU 47 3HD1 LEU 47 2.209 7.570 -6.505
363 1HD2 LEU 47 1HD2 LEU 47 4.879 5.536 -5.383
364 2HD2 LEU 47 2HD2 LEU 47 4.685 4.896 -7.015
365 3HD2 LEU 47 3HD2 LEU 47 4.162 3.943 -5.625
366 H ILE 48 H ILE 48 2.647 3.414 -2.574
367 HA ILE 48 HA ILE 48 1.745 4.898 -0.210
368 HB ILE 48 HB ILE 48 1.126 2.899 1.025
369 1HG1 ILE 48 2HG1 ILE 48 2.585 1.368 -0.395
370 2HG1 ILE 48 1HG1 ILE 48 1.026 0.728 0.107
371 1HG2 ILE 48 1HG2 ILE 48 -0.800 2.273 -0.862
372 2HG2 ILE 48 2HG2 ILE 48 -0.347 3.935 -1.222
373 3HG2 ILE 48 3HG2 ILE 48 -0.897 3.505 0.390
374 1HD1 ILE 48 1HD1 ILE 48 0.647 0.223 -1.999
375 2HD1 ILE 48 2HD1 ILE 48 2.097 1.074 -2.522
376 3HD1 ILE 48 3HD1 ILE 48 0.571 1.946 -2.366
377 HA PRO 49 HA PRO 49 5.743 4.178 1.533
378 1HB PRO 49 2HB PRO 49 5.110 3.493 4.116
379 2HB PRO 49 1HB PRO 49 5.170 5.146 3.503
380 1HG PRO 49 2HG PRO 49 2.805 3.353 3.874
381 2HG PRO 49 1HG PRO 49 2.975 5.077 4.242
382 1HD PRO 49 2HD PRO 49 1.703 4.246 2.035
383 2HD PRO 49 1HD PRO 49 2.705 5.710 2.024
384 H SER 50 H SER 50 7.002 2.446 1.258
385 HA SER 50 HA SER 50 5.938 -0.241 1.209
386 1HB SER 50 2HB SER 50 7.850 0.705 -0.248
387 2HB SER 50 1HB SER 50 8.869 0.466 1.172
388 HG SER 50 HG SER 50 8.113 -1.758 1.125
389 H ASN 51 H ASN 51 7.880 1.639 3.451
390 HA ASN 51 HA ASN 51 8.623 -0.507 5.114
391 1HB ASN 51 2HB ASN 51 8.978 2.328 5.009
392 2HB ASN 51 1HB ASN 51 8.533 1.868 6.649
393 1HD2 ASN 51 1HD2 ASN 51 10.396 0.134 4.202
394 2HD2 ASN 51 2HD2 ASN 51 11.839 0.001 5.142
395 H TYR 52 H TYR 52 5.559 1.028 4.860
396 HA TYR 52 HA TYR 52 4.863 0.409 7.637
397 1HB TYR 52 2HB TYR 52 3.394 1.867 5.439
398 2HB TYR 52 1HB TYR 52 2.661 1.495 6.993
399 HD1 TYR 52 1HD TYR 52 6.128 2.678 6.244
400 HD2 TYR 52 2HD TYR 52 2.363 3.566 8.016
401 HE1 TYR 52 1HE TYR 52 7.062 4.746 7.180
402 HE2 TYR 52 2HE TYR 52 3.292 5.633 8.960
403 HH TYR 52 HH TYR 52 5.887 7.111 7.943
404 H ILE 53 H ILE 53 4.998 -1.287 4.821
405 HA ILE 53 HA ILE 53 2.980 -3.101 5.824
406 HB ILE 53 HB ILE 53 1.517 -2.900 4.131
407 1HG1 ILE 53 2HG1 ILE 53 3.777 -2.720 2.142
408 2HG1 ILE 53 1HG1 ILE 53 2.936 -4.201 2.599
409 1HG2 ILE 53 1HG2 ILE 53 2.068 -0.784 2.570
410 2HG2 ILE 53 2HG2 ILE 53 3.170 -0.462 3.898
411 3HG2 ILE 53 3HG2 ILE 53 1.455 -0.631 4.204
412 1HD1 ILE 53 1HD1 ILE 53 0.846 -2.690 1.849
413 2HD1 ILE 53 2HD1 ILE 53 1.737 -3.746 0.753
414 3HD1 ILE 53 3HD1 ILE 53 2.102 -2.021 0.806
415 H GLU 54 H GLU 54 3.026 -5.217 4.765
416 HA GLU 54 HA GLU 54 5.481 -6.021 3.398
417 1HB GLU 54 2HB GLU 54 5.634 -6.272 5.976
418 2HB GLU 54 1HB GLU 54 4.483 -7.583 5.767
419 1HG GLU 54 2HG GLU 54 6.050 -8.712 4.263
420 2HG GLU 54 1HG GLU 54 7.207 -7.403 4.496
421 H MET 55 H MET 55 5.238 -8.146 2.381
422 HA MET 55 HA MET 55 2.708 -8.545 1.195
423 1HB MET 55 2HB MET 55 5.352 -9.568 0.916
424 2HB MET 55 1HB MET 55 4.234 -10.924 0.959
425 1HG MET 55 2HG MET 55 2.936 -9.888 -0.845
426 2HG MET 55 1HG MET 55 4.103 -8.568 -0.908
427 1HE MET 55 1HE MET 55 6.496 -8.847 -2.470
428 2HE MET 55 2HE MET 55 7.354 -10.314 -1.999
429 3HE MET 55 3HE MET 55 6.668 -9.259 -0.763
430 H LYS 56 H LYS 56 0.969 -9.642 1.741
431 HA LYS 56 HA LYS 56 0.948 -11.376 4.086
432 1HB LYS 56 2HB LYS 56 -0.887 -9.573 3.551
433 2HB LYS 56 1HB LYS 56 -1.458 -10.766 2.392
434 1HG LYS 56 2HG LYS 56 -1.633 -12.410 4.240
435 2HG LYS 56 1HG LYS 56 -1.193 -11.128 5.366
436 1HD LYS 56 2HD LYS 56 -3.197 -9.882 4.152
437 2HD LYS 56 1HD LYS 56 -3.707 -11.540 3.833
438 1HE LYS 56 2HE LYS 56 -4.681 -10.565 5.902
439 2HE LYS 56 1HE LYS 56 -3.769 -12.046 6.172
440 1HZ LYS 56 1HZ LYS 56 -3.162 -9.309 7.002
441 2HZ LYS 56 2HZ LYS 56 -1.854 -10.306 6.619
442 3HZ LYS 56 3HZ LYS 56 -2.936 -10.765 7.830
443 H ASN 57 H ASN 57 1.834 -11.620 1.066
444 HA ASN 57 HA ASN 57 0.482 -14.169 0.492
445 1HB ASN 57 2HB ASN 57 1.387 -11.980 -1.203
446 2HB ASN 57 1HB ASN 57 2.028 -13.526 -1.742
447 1HD2 ASN 57 1HD2 ASN 57 0.190 -11.906 -3.135
448 2HD2 ASN 57 2HD2 ASN 57 -1.286 -12.791 -3.296
449 H HIS 58 H HIS 58 2.141 -14.586 2.441
450 HA HIS 58 HA HIS 58 4.867 -14.974 1.715
451 1HB HIS 58 2HB HIS 58 3.279 -15.261 4.064
452 2HB HIS 58 1HB HIS 58 4.097 -16.796 3.785
453 HD1 HIS 58 1HD HIS 58 4.595 -13.727 5.475
454 HD2 HIS 58 2HD HIS 58 7.038 -16.216 3.215
455 HE1 HIS 58 1HE HIS 58 6.952 -13.108 6.101
456 HE2 HIS 58 2HE HIS 58 8.410 -14.539 4.630
457 H ASP 59 H ASP 59 5.569 -16.388 0.290
458 HA ASP 59 HA ASP 59 5.697 -18.179 -1.105
459 1HB ASP 59 2HB ASP 59 5.043 -19.314 1.573
460 2HB ASP 59 1HB ASP 59 5.048 -20.401 0.188
Start of MODEL 5
1 1H MET 1 1HT MET 1 0.363 -9.160 -5.040
2 2H MET 1 2HT MET 1 0.164 -10.521 -6.061
3 3H MET 1 3HT MET 1 0.008 -10.693 -4.364
4 HA MET 1 HA MET 1 -1.725 -9.045 -6.044
5 1HB MET 1 2HB MET 1 -2.159 -11.786 -4.855
6 2HB MET 1 1HB MET 1 -3.389 -10.844 -5.682
7 1HG MET 1 2HG MET 1 -0.880 -11.452 -7.150
8 2HG MET 1 1HG MET 1 -2.039 -12.752 -6.895
9 1HE MET 1 1HE MET 1 -2.121 -11.269 -10.587
10 2HE MET 1 2HE MET 1 -0.899 -11.784 -9.424
11 3HE MET 1 3HE MET 1 -1.208 -10.066 -9.677
12 H GLU 2 H GLU 2 -0.916 -10.357 -2.944
13 HA GLU 2 HA GLU 2 -2.584 -8.284 -1.725
14 1HB GLU 2 2HB GLU 2 -2.585 -11.164 -0.853
15 2HB GLU 2 1HB GLU 2 -3.496 -9.855 -0.112
16 1HG GLU 2 2HG GLU 2 -4.631 -9.523 -2.314
17 2HG GLU 2 1HG GLU 2 -3.834 -10.994 -2.871
18 H ALA 3 H ALA 3 -1.787 -7.287 -0.060
19 HA ALA 3 HA ALA 3 0.476 -8.182 1.501
20 1HB ALA 3 1HB ALA 3 0.409 -5.471 0.239
21 2HB ALA 3 2HB ALA 3 1.281 -6.835 -0.462
22 3HB ALA 3 3HB ALA 3 1.732 -6.223 1.128
23 H ILE 4 H ILE 4 0.530 -7.330 3.589
24 HA ILE 4 HA ILE 4 -1.847 -5.758 4.324
25 HB ILE 4 HB ILE 4 -1.624 -7.931 5.477
26 1HG1 ILE 4 2HG1 ILE 4 -1.096 -5.687 7.420
27 2HG1 ILE 4 1HG1 ILE 4 -2.618 -5.854 6.553
28 1HG2 ILE 4 1HG2 ILE 4 0.234 -7.925 7.306
29 2HG2 ILE 4 2HG2 ILE 4 1.049 -6.815 6.204
30 3HG2 ILE 4 3HG2 ILE 4 0.619 -8.439 5.665
31 1HD1 ILE 4 1HD1 ILE 4 -3.280 -7.643 7.787
32 2HD1 ILE 4 2HD1 ILE 4 -2.268 -6.825 8.977
33 3HD1 ILE 4 3HD1 ILE 4 -1.630 -8.200 8.074
34 H ALA 5 H ALA 5 -1.501 -4.007 5.908
35 HA ALA 5 HA ALA 5 1.270 -3.035 5.822
36 1HB ALA 5 1HB ALA 5 -1.111 -1.858 4.680
37 2HB ALA 5 2HB ALA 5 0.562 -1.389 4.459
38 3HB ALA 5 3HB ALA 5 -0.346 -0.758 5.817
39 H LYS 6 H LYS 6 1.866 -3.269 8.044
40 HA LYS 6 HA LYS 6 -0.152 -2.127 9.856
41 1HB LYS 6 2HB LYS 6 0.817 -4.409 10.283
42 2HB LYS 6 1HB LYS 6 2.364 -3.623 10.535
43 1HG LYS 6 2HG LYS 6 1.872 -3.191 12.638
44 2HG LYS 6 1HG LYS 6 0.355 -2.406 12.191
45 1HD LYS 6 2HD LYS 6 -0.204 -4.234 13.610
46 2HD LYS 6 1HD LYS 6 -0.643 -4.711 11.971
47 1HE LYS 6 2HE LYS 6 0.744 -6.454 12.027
48 2HE LYS 6 1HE LYS 6 2.084 -5.455 12.589
49 1HZ LYS 6 1HZ LYS 6 1.834 -6.806 14.381
50 2HZ LYS 6 2HZ LYS 6 0.179 -7.050 14.129
51 3HZ LYS 6 3HZ LYS 6 0.724 -5.608 14.826
52 H HIS 7 H HIS 7 0.195 -0.005 9.397
53 HA HIS 7 HA HIS 7 1.872 1.247 11.087
54 1HB HIS 7 2HB HIS 7 2.964 1.046 8.341
55 2HB HIS 7 1HB HIS 7 2.924 2.683 8.985
56 HD1 HIS 7 1HD HIS 7 3.438 0.648 11.834
57 HD2 HIS 7 2HD HIS 7 5.854 1.872 8.682
58 HE1 HIS 7 1HE HIS 7 5.799 0.378 12.652
59 HE2 HIS 7 2HE HIS 7 7.239 1.225 10.766
60 H ASP 8 H ASP 8 0.432 3.162 11.584
61 HA ASP 8 HA ASP 8 -1.752 3.477 9.780
62 1HB ASP 8 2HB ASP 8 -1.966 5.813 10.971
63 2HB ASP 8 1HB ASP 8 -2.326 4.340 11.873
64 H PHE 9 H PHE 9 -2.087 5.408 8.321
65 HA PHE 9 HA PHE 9 0.117 7.149 7.885
66 1HB PHE 9 2HB PHE 9 0.915 4.982 6.806
67 2HB PHE 9 1HB PHE 9 -0.304 5.281 5.569
68 HD1 PHE 9 1HD PHE 9 0.327 6.478 3.687
69 HD2 PHE 9 2HD PHE 9 2.479 7.031 7.316
70 HE1 PHE 9 1HE PHE 9 1.921 7.948 2.521
71 HE2 PHE 9 2HE PHE 9 4.073 8.498 6.154
72 HZ PHE 9 HZ PHE 9 3.794 8.960 3.755
73 H SER 10 H SER 10 -0.003 8.585 6.239
74 HA SER 10 HA SER 10 -2.483 8.783 4.774
75 1HB SER 10 2HB SER 10 -1.555 11.305 6.126
76 2HB SER 10 1HB SER 10 -3.151 10.901 5.494
77 HG SER 10 HG SER 10 -1.975 10.225 7.933
78 H ALA 11 H ALA 11 -1.535 8.512 2.878
79 HA ALA 11 HA ALA 11 0.666 8.839 1.599
80 1HB ALA 11 1HB ALA 11 -2.054 9.732 0.911
81 2HB ALA 11 2HB ALA 11 -1.030 8.520 0.156
82 3HB ALA 11 3HB ALA 11 -0.751 10.234 -0.158
83 H THR 12 H THR 12 2.006 10.136 0.659
84 HA THR 12 HA THR 12 2.231 12.856 1.711
85 HB THR 12 HB THR 12 4.147 10.656 1.098
86 HG1 THR 12 1HG THR 12 4.474 12.936 2.757
87 1HG2 THR 12 1HG2 THR 12 5.351 13.379 0.905
88 2HG2 THR 12 2HG2 THR 12 4.681 12.653 -0.556
89 3HG2 THR 12 3HG2 THR 12 5.950 11.823 0.339
90 H ALA 13 H ALA 13 1.249 11.197 -0.988
91 HA ALA 13 HA ALA 13 1.539 13.602 -2.661
92 1HB ALA 13 1HB ALA 13 1.709 10.893 -3.930
93 2HB ALA 13 2HB ALA 13 3.161 11.655 -3.280
94 3HB ALA 13 3HB ALA 13 2.238 12.451 -4.555
95 H ASP 14 H ASP 14 -0.234 13.777 -4.283
96 HA ASP 14 HA ASP 14 -2.760 13.187 -3.240
97 1HB ASP 14 2HB ASP 14 -1.749 14.676 -5.378
98 2HB ASP 14 1HB ASP 14 -2.805 13.481 -6.125
99 H ASP 15 H ASP 15 -0.837 11.556 -5.692
100 HA ASP 15 HA ASP 15 -2.905 9.567 -6.154
101 1HB ASP 15 2HB ASP 15 -1.109 10.631 -7.836
102 2HB ASP 15 1HB ASP 15 -0.171 9.247 -7.283
103 H GLU 16 H GLU 16 -1.484 9.936 -3.524
104 HA GLU 16 HA GLU 16 -0.333 7.252 -3.254
105 1HB GLU 16 2HB GLU 16 0.129 9.804 -1.748
106 2HB GLU 16 1HB GLU 16 0.464 8.251 -1.000
107 1HG GLU 16 2HG GLU 16 1.741 7.929 -3.298
108 2HG GLU 16 1HG GLU 16 1.870 9.660 -3.151
109 H LEU 17 H LEU 17 -1.674 5.845 -2.434
110 HA LEU 17 HA LEU 17 -4.204 6.615 -1.348
111 1HB LEU 17 2HB LEU 17 -3.537 4.534 -2.723
112 2HB LEU 17 1HB LEU 17 -3.016 3.875 -1.183
113 HG LEU 17 HG LEU 17 -5.541 4.739 -0.585
114 1HD1 LEU 17 1HD1 LEU 17 -5.948 5.280 -2.958
115 2HD1 LEU 17 2HD1 LEU 17 -7.017 4.014 -2.356
116 3HD1 LEU 17 3HD1 LEU 17 -5.640 3.593 -3.373
117 1HD2 LEU 17 1HD2 LEU 17 -5.540 2.640 0.129
118 2HD2 LEU 17 2HD2 LEU 17 -4.116 2.298 -0.854
119 3HD2 LEU 17 3HD2 LEU 17 -5.721 2.081 -1.527
120 H SER 18 H SER 18 -4.726 6.964 0.706
121 HA SER 18 HA SER 18 -2.827 6.377 2.838
122 1HB SER 18 2HB SER 18 -5.546 7.683 3.086
123 2HB SER 18 1HB SER 18 -4.237 7.717 4.267
124 HG SER 18 HG SER 18 -3.061 9.005 2.883
125 H PHE 19 H PHE 19 -3.667 5.472 4.878
126 HA PHE 19 HA PHE 19 -5.938 3.785 4.951
127 1HB PHE 19 2HB PHE 19 -4.754 1.606 4.968
128 2HB PHE 19 1HB PHE 19 -4.607 2.416 3.408
129 HD1 PHE 19 1HD PHE 19 -2.846 1.592 6.529
130 HD2 PHE 19 2HD PHE 19 -2.492 3.116 2.575
131 HE1 PHE 19 1HE PHE 19 -0.399 1.450 6.701
132 HE2 PHE 19 2HE PHE 19 -0.039 2.974 2.739
133 HZ PHE 19 HZ PHE 19 1.008 2.139 4.805
134 H ARG 20 H ARG 20 -5.555 2.048 6.809
135 HA ARG 20 HA ARG 20 -4.389 3.569 9.045
136 1HB ARG 20 2HB ARG 20 -6.954 2.304 8.702
137 2HB ARG 20 1HB ARG 20 -6.115 1.588 10.072
138 1HG ARG 20 2HG ARG 20 -7.461 3.406 10.851
139 2HG ARG 20 1HG ARG 20 -5.762 3.860 10.989
140 1HD ARG 20 2HD ARG 20 -6.268 5.716 9.870
141 2HD ARG 20 1HD ARG 20 -6.507 4.705 8.447
142 HE ARG 20 HE ARG 20 -8.598 5.723 10.230
143 1HH1 ARG 20 1HH1 ARG 20 -7.705 4.040 7.289
144 2HH1 ARG 20 2HH1 ARG 20 -9.306 4.097 6.634
145 1HH2 ARG 20 1HH2 ARG 20 -10.689 5.786 9.356
146 2HH2 ARG 20 2HH2 ARG 20 -10.993 5.091 7.800
147 H LYS 21 H LYS 21 -3.668 2.089 10.957
148 HA LYS 21 HA LYS 21 -1.708 0.296 10.012
149 1HB LYS 21 2HB LYS 21 -1.520 -0.368 12.405
150 2HB LYS 21 1HB LYS 21 -1.476 1.375 12.177
151 1HG LYS 21 2HG LYS 21 -3.701 1.623 12.952
152 2HG LYS 21 1HG LYS 21 -3.975 -0.120 12.910
153 1HD LYS 21 2HD LYS 21 -1.698 0.388 14.538
154 2HD LYS 21 1HD LYS 21 -2.998 1.466 15.054
155 1HE LYS 21 2HE LYS 21 -3.758 -1.336 14.526
156 2HE LYS 21 1HE LYS 21 -2.718 -1.067 15.923
157 1HZ LYS 21 1HZ LYS 21 -4.395 0.703 16.570
158 2HZ LYS 21 2HZ LYS 21 -4.886 -0.907 16.730
159 3HZ LYS 21 3HZ LYS 21 -5.423 0.013 15.417
160 H THR 22 H THR 22 -1.778 -1.842 9.695
161 HA THR 22 HA THR 22 -2.401 -4.001 9.693
162 HB THR 22 HB THR 22 -4.955 -3.486 11.129
163 HG1 THR 22 1HG THR 22 -2.403 -3.482 12.365
164 1HG2 THR 22 1HG2 THR 22 -4.775 -5.609 11.838
165 2HG2 THR 22 2HG2 THR 22 -3.021 -5.522 11.996
166 3HG2 THR 22 3HG2 THR 22 -3.752 -5.767 10.410
167 H GLN 23 H GLN 23 -3.856 -1.670 7.941
168 HA GLN 23 HA GLN 23 -5.984 -3.431 7.041
169 1HB GLN 23 2HB GLN 23 -5.345 -0.622 6.204
170 2HB GLN 23 1HB GLN 23 -6.521 -1.621 5.358
171 1HG GLN 23 2HG GLN 23 -7.627 -1.947 7.632
172 2HG GLN 23 1HG GLN 23 -6.618 -0.611 8.181
173 1HE2 GLN 23 1HE2 GLN 23 -8.759 -1.427 5.476
174 2HE2 GLN 23 2HE2 GLN 23 -9.551 0.107 5.413
175 H ILE 24 H ILE 24 -6.167 -4.403 5.122
176 HA ILE 24 HA ILE 24 -3.679 -5.192 3.920
177 HB ILE 24 HB ILE 24 -5.457 -6.801 4.411
178 1HG1 ILE 24 2HG1 ILE 24 -5.631 -7.685 1.907
179 2HG1 ILE 24 1HG1 ILE 24 -4.399 -6.451 1.653
180 1HG2 ILE 24 1HG2 ILE 24 -7.327 -6.704 2.486
181 2HG2 ILE 24 2HG2 ILE 24 -7.042 -4.981 2.728
182 3HG2 ILE 24 3HG2 ILE 24 -7.526 -5.992 4.086
183 1HD1 ILE 24 1HD1 ILE 24 -4.086 -8.411 3.878
184 2HD1 ILE 24 2HD1 ILE 24 -2.858 -7.543 2.964
185 3HD1 ILE 24 3HD1 ILE 24 -3.714 -8.891 2.222
186 H LEU 25 H LEU 25 -2.809 -4.555 2.038
187 HA LEU 25 HA LEU 25 -4.428 -2.774 0.345
188 1HB LEU 25 2HB LEU 25 -1.431 -2.747 0.599
189 2HB LEU 25 1HB LEU 25 -2.429 -1.605 -0.281
190 HG LEU 25 HG LEU 25 -2.574 -1.985 2.708
191 1HD1 LEU 25 1HD1 LEU 25 -0.410 -0.980 1.445
192 2HD1 LEU 25 2HD1 LEU 25 -0.958 -0.459 3.039
193 3HD1 LEU 25 3HD1 LEU 25 -1.398 0.472 1.607
194 1HD2 LEU 25 1HD2 LEU 25 -3.550 0.417 2.366
195 2HD2 LEU 25 2HD2 LEU 25 -4.569 -1.003 2.126
196 3HD2 LEU 25 3HD2 LEU 25 -3.878 -0.168 0.735
197 H LYS 26 H LYS 26 -4.398 -2.996 -1.871
198 HA LYS 26 HA LYS 26 -3.769 -5.629 -2.892
199 1HB LYS 26 2HB LYS 26 -5.336 -3.272 -3.649
200 2HB LYS 26 1HB LYS 26 -4.638 -4.130 -5.007
201 1HG LYS 26 2HG LYS 26 -6.814 -4.988 -4.662
202 2HG LYS 26 1HG LYS 26 -5.680 -6.218 -4.099
203 1HD LYS 26 2HD LYS 26 -6.306 -4.442 -1.945
204 2HD LYS 26 1HD LYS 26 -7.803 -5.021 -2.677
205 1HE LYS 26 2HE LYS 26 -5.741 -7.073 -2.268
206 2HE LYS 26 1HE LYS 26 -6.385 -6.361 -0.790
207 1HZ LYS 26 1HZ LYS 26 -8.059 -7.512 -2.954
208 2HZ LYS 26 2HZ LYS 26 -8.588 -6.971 -1.441
209 3HZ LYS 26 3HZ LYS 26 -7.609 -8.345 -1.552
210 H ILE 27 H ILE 27 -1.514 -5.829 -3.211
211 HA ILE 27 HA ILE 27 0.015 -3.732 -4.499
212 HB ILE 27 HB ILE 27 0.932 -6.564 -4.158
213 1HG1 ILE 27 2HG1 ILE 27 0.149 -5.845 -1.987
214 2HG1 ILE 27 1HG1 ILE 27 1.909 -5.817 -2.004
215 1HG2 ILE 27 1HG2 ILE 27 2.914 -5.813 -4.842
216 2HG2 ILE 27 2HG2 ILE 27 2.835 -4.405 -3.785
217 3HG2 ILE 27 3HG2 ILE 27 2.070 -4.359 -5.373
218 1HD1 ILE 27 1HD1 ILE 27 0.442 -3.839 -1.013
219 2HD1 ILE 27 2HD1 ILE 27 0.533 -3.297 -2.689
220 3HD1 ILE 27 3HD1 ILE 27 2.012 -3.576 -1.771
221 H LEU 28 H LEU 28 0.464 -3.525 -6.641
222 HA LEU 28 HA LEU 28 -0.027 -5.798 -8.410
223 1HB LEU 28 2HB LEU 28 -1.321 -3.151 -8.980
224 2HB LEU 28 1HB LEU 28 -1.559 -4.671 -9.820
225 HG LEU 28 HG LEU 28 -2.247 -5.010 -7.057
226 1HD1 LEU 28 1HD1 LEU 28 -3.846 -3.416 -6.647
227 2HD1 LEU 28 2HD1 LEU 28 -3.960 -2.947 -8.343
228 3HD1 LEU 28 3HD1 LEU 28 -2.551 -2.479 -7.389
229 1HD2 LEU 28 1HD2 LEU 28 -3.149 -6.482 -8.632
230 2HD2 LEU 28 2HD2 LEU 28 -3.696 -5.168 -9.674
231 3HD2 LEU 28 3HD2 LEU 28 -4.505 -5.467 -8.135
232 H ASN 29 H ASN 29 1.643 -2.770 -7.846
233 HA ASN 29 HA ASN 29 3.321 -3.500 -10.093
234 1HB ASN 29 2HB ASN 29 1.839 -2.073 -11.274
235 2HB ASN 29 1HB ASN 29 1.822 -0.895 -9.971
236 1HD2 ASN 29 1HD2 ASN 29 3.551 0.520 -9.732
237 2HD2 ASN 29 2HD2 ASN 29 4.694 0.782 -10.996
238 H MET 30 H MET 30 5.063 -3.726 -9.282
239 HA MET 30 HA MET 30 6.347 -1.729 -7.551
240 1HB MET 30 2HB MET 30 7.527 -3.465 -6.405
241 2HB MET 30 1HB MET 30 5.792 -3.653 -6.212
242 1HG MET 30 2HG MET 30 5.725 -5.599 -7.366
243 2HG MET 30 1HG MET 30 7.082 -5.169 -8.399
244 1HE MET 30 1HE MET 30 7.306 -8.350 -7.116
245 2HE MET 30 2HE MET 30 5.872 -7.532 -6.496
246 3HE MET 30 3HE MET 30 7.065 -8.190 -5.377
247 H GLU 31 H GLU 31 8.161 -0.991 -8.384
248 HA GLU 31 HA GLU 31 10.268 -2.161 -9.265
249 1HB GLU 31 2HB GLU 31 10.409 -2.351 -11.691
250 2HB GLU 31 1HB GLU 31 9.182 -3.421 -11.033
251 1HG GLU 31 2HG GLU 31 7.427 -2.061 -11.815
252 2HG GLU 31 1HG GLU 31 8.519 -0.715 -12.138
253 H ASP 32 H ASP 32 8.277 0.445 -9.870
254 HA ASP 32 HA ASP 32 10.319 2.188 -10.872
255 1HB ASP 32 2HB ASP 32 7.442 2.359 -10.311
256 2HB ASP 32 1HB ASP 32 8.332 3.844 -9.989
257 H ASP 33 H ASP 33 9.241 1.173 -7.748
258 HA ASP 33 HA ASP 33 11.201 2.984 -6.618
259 1HB ASP 33 2HB ASP 33 8.617 3.846 -6.727
260 2HB ASP 33 1HB ASP 33 8.678 3.120 -5.124
261 H SER 34 H SER 34 12.414 1.277 -5.664
262 HA SER 34 HA SER 34 11.276 -0.999 -4.445
263 1HB SER 34 2HB SER 34 13.507 -1.343 -3.489
264 2HB SER 34 1HB SER 34 13.599 -0.917 -5.196
265 HG SER 34 HG SER 34 14.929 0.226 -3.362
266 H ASN 35 H ASN 35 10.204 1.694 -3.519
267 HA ASN 35 HA ASN 35 10.357 1.155 -0.620
268 1HB ASN 35 2HB ASN 35 11.906 3.075 -1.844
269 2HB ASN 35 1HB ASN 35 10.504 3.986 -1.289
270 1HD2 ASN 35 1HD2 ASN 35 11.958 5.047 0.155
271 2HD2 ASN 35 2HD2 ASN 35 12.405 4.293 1.644
272 H TRP 36 H TRP 36 8.716 2.534 -3.355
273 HA TRP 36 HA TRP 36 6.326 2.953 -1.714
274 1HB TRP 36 2HB TRP 36 7.276 4.669 -4.025
275 2HB TRP 36 1HB TRP 36 5.751 4.870 -3.169
276 HD1 TRP 36 HD TRP 36 9.396 5.769 -2.980
277 HE1 TRP 36 1HE TRP 36 9.845 7.193 -0.889
278 HE3 TRP 36 3HE TRP 36 4.905 5.214 -0.652
279 HZ2 TRP 36 2HZ TRP 36 8.473 7.978 1.448
280 HZ3 TRP 36 3HZ TRP 36 4.537 6.326 1.516
281 HH2 TRP 36 HH TRP 36 6.290 7.687 2.539
282 H TYR 37 H TYR 37 4.922 1.416 -2.310
283 HA TYR 37 HA TYR 37 5.096 0.251 -4.983
284 1HB TYR 37 2HB TYR 37 3.961 -0.580 -2.359
285 2HB TYR 37 1HB TYR 37 3.240 -1.259 -3.809
286 HD1 TYR 37 1HD TYR 37 6.712 -0.584 -4.293
287 HD2 TYR 37 2HD TYR 37 4.002 -3.394 -2.604
288 HE1 TYR 37 1HE TYR 37 8.460 -2.311 -4.374
289 HE2 TYR 37 2HE TYR 37 5.738 -5.130 -2.679
290 HH TYR 37 HH TYR 37 7.848 -5.620 -3.219
291 H ARG 38 H ARG 38 3.296 -0.099 -6.334
292 HA ARG 38 HA ARG 38 1.213 1.947 -6.059
293 1HB ARG 38 2HB ARG 38 2.563 1.703 -8.239
294 2HB ARG 38 1HB ARG 38 1.741 0.166 -8.457
295 1HG ARG 38 2HG ARG 38 0.162 1.285 -9.538
296 2HG ARG 38 1HG ARG 38 -0.313 1.958 -7.978
297 1HD ARG 38 2HD ARG 38 0.059 3.681 -9.709
298 2HD ARG 38 1HD ARG 38 1.112 3.866 -8.311
299 HE ARG 38 HE ARG 38 2.934 3.127 -9.618
300 1HH1 ARG 38 1HH1 ARG 38 -0.008 3.453 -11.487
301 2HH1 ARG 38 2HH1 ARG 38 0.821 3.465 -13.004
302 1HH2 ARG 38 1HH2 ARG 38 4.003 3.158 -11.617
303 2HH2 ARG 38 2HH2 ARG 38 3.084 3.297 -13.078
304 H ALA 39 H ALA 39 -0.376 1.173 -4.872
305 HA ALA 39 HA ALA 39 -1.226 -1.614 -5.257
306 1HB ALA 39 1HB ALA 39 -2.023 -0.165 -2.802
307 2HB ALA 39 2HB ALA 39 -0.310 -0.553 -2.960
308 3HB ALA 39 3HB ALA 39 -1.515 -1.841 -3.006
309 H GLU 40 H GLU 40 -3.550 -1.946 -4.543
310 HA GLU 40 HA GLU 40 -5.182 0.237 -5.643
311 1HB GLU 40 2HB GLU 40 -4.917 -1.760 -7.155
312 2HB GLU 40 1HB GLU 40 -5.821 -2.691 -5.972
313 1HG GLU 40 2HG GLU 40 -7.563 -0.739 -6.296
314 2HG GLU 40 1HG GLU 40 -6.727 -0.572 -7.839
315 H LEU 41 H LEU 41 -7.252 0.551 -4.800
316 HA LEU 41 HA LEU 41 -8.246 -1.076 -2.657
317 1HB LEU 41 2HB LEU 41 -6.370 0.429 -1.737
318 2HB LEU 41 1HB LEU 41 -7.513 1.742 -1.951
319 HG LEU 41 HG LEU 41 -8.792 -0.385 -0.514
320 1HD1 LEU 41 1HD1 LEU 41 -7.205 -1.203 0.799
321 2HD1 LEU 41 2HD1 LEU 41 -6.967 0.412 1.468
322 3HD1 LEU 41 3HD1 LEU 41 -6.003 -0.126 0.093
323 1HD2 LEU 41 1HD2 LEU 41 -9.769 1.471 0.216
324 2HD2 LEU 41 2HD2 LEU 41 -8.469 2.475 -0.425
325 3HD2 LEU 41 3HD2 LEU 41 -8.335 1.787 1.193
326 H ASP 42 H ASP 42 -10.384 -0.880 -2.556
327 HA ASP 42 HA ASP 42 -12.478 -0.300 -3.239
328 1HB ASP 42 2HB ASP 42 -11.346 1.784 -1.748
329 2HB ASP 42 1HB ASP 42 -12.147 2.574 -3.101
330 H GLY 43 H GLY 43 -10.109 -0.039 -5.313
331 1HA GLY 43 2HA GLY 43 -10.550 -0.011 -7.663
332 2HA GLY 43 1HA GLY 43 -11.812 1.178 -7.374
333 H LYS 44 H LYS 44 -9.138 1.998 -5.516
334 HA LYS 44 HA LYS 44 -8.323 3.958 -7.547
335 1HB LYS 44 2HB LYS 44 -7.847 4.084 -4.556
336 2HB LYS 44 1HB LYS 44 -7.592 5.377 -5.719
337 1HG LYS 44 2HG LYS 44 -10.295 4.176 -5.239
338 2HG LYS 44 1HG LYS 44 -9.662 5.503 -4.263
339 1HD LYS 44 2HD LYS 44 -9.297 6.074 -7.053
340 2HD LYS 44 1HD LYS 44 -10.983 5.663 -6.737
341 1HE LYS 44 2HE LYS 44 -11.348 7.540 -5.563
342 2HE LYS 44 1HE LYS 44 -9.782 7.458 -4.757
343 1HZ LYS 44 1HZ LYS 44 -9.248 9.171 -6.054
344 2HZ LYS 44 2HZ LYS 44 -10.563 8.932 -7.092
345 3HZ LYS 44 3HZ LYS 44 -9.136 8.052 -7.320
346 H GLU 45 H GLU 45 -6.234 3.990 -8.265
347 HA GLU 45 HA GLU 45 -4.394 2.040 -7.055
348 1HB GLU 45 2HB GLU 45 -4.665 1.509 -9.347
349 2HB GLU 45 1HB GLU 45 -4.576 3.195 -9.833
350 1HG GLU 45 2HG GLU 45 -2.134 2.543 -8.546
351 2HG GLU 45 1HG GLU 45 -2.496 1.264 -9.704
352 H GLY 46 H GLY 46 -2.938 2.981 -5.641
353 1HA GLY 46 2HA GLY 46 -1.845 5.581 -6.504
354 2HA GLY 46 1HA GLY 46 -2.511 5.410 -4.895
355 H LEU 47 H LEU 47 -0.199 6.378 -4.840
356 HA LEU 47 HA LEU 47 1.869 4.333 -4.651
357 1HB LEU 47 2HB LEU 47 1.789 7.216 -4.993
358 2HB LEU 47 1HB LEU 47 2.907 6.748 -3.729
359 HG LEU 47 HG LEU 47 3.700 5.057 -5.663
360 1HD1 LEU 47 1HD1 LEU 47 2.742 7.535 -7.089
361 2HD1 LEU 47 2HD1 LEU 47 2.042 5.923 -7.252
362 3HD1 LEU 47 3HD1 LEU 47 3.694 6.227 -7.794
363 1HD2 LEU 47 1HD2 LEU 47 5.532 6.565 -6.002
364 2HD2 LEU 47 2HD2 LEU 47 5.013 6.706 -4.323
365 3HD2 LEU 47 3HD2 LEU 47 4.556 7.944 -5.494
366 H ILE 48 H ILE 48 2.751 3.720 -2.645
367 HA ILE 48 HA ILE 48 1.812 5.092 -0.235
368 HB ILE 48 HB ILE 48 1.103 2.957 0.813
369 1HG1 ILE 48 2HG1 ILE 48 0.447 1.195 -1.056
370 2HG1 ILE 48 1HG1 ILE 48 1.806 1.930 -1.900
371 1HG2 ILE 48 1HG2 ILE 48 -0.960 3.542 0.278
372 2HG2 ILE 48 2HG2 ILE 48 -0.775 2.877 -1.342
373 3HG2 ILE 48 3HG2 ILE 48 -0.314 4.545 -1.018
374 1HD1 ILE 48 1HD1 ILE 48 3.034 0.422 -0.815
375 2HD1 ILE 48 2HD1 ILE 48 1.765 0.106 0.369
376 3HD1 ILE 48 3HD1 ILE 48 2.846 1.480 0.584
377 HA PRO 49 HA PRO 49 5.688 4.053 1.535
378 1HB PRO 49 2HB PRO 49 4.941 3.274 4.068
379 2HB PRO 49 1HB PRO 49 5.173 4.944 3.549
380 1HG PRO 49 2HG PRO 49 2.652 3.381 3.852
381 2HG PRO 49 1HG PRO 49 2.966 5.090 4.201
382 1HD PRO 49 2HD PRO 49 1.662 4.269 1.977
383 2HD PRO 49 1HD PRO 49 2.681 5.719 2.004
384 H SER 50 H SER 50 6.665 2.198 0.831
385 HA SER 50 HA SER 50 5.358 -0.361 0.949
386 1HB SER 50 2HB SER 50 7.206 0.520 -0.736
387 2HB SER 50 1HB SER 50 8.311 -0.109 0.486
388 HG SER 50 HG SER 50 6.592 -1.451 -1.229
389 H ASN 51 H ASN 51 7.636 1.362 2.935
390 HA ASN 51 HA ASN 51 8.491 -0.845 4.483
391 1HB ASN 51 2HB ASN 51 8.978 1.959 4.324
392 2HB ASN 51 1HB ASN 51 8.606 1.570 6.000
393 1HD2 ASN 51 1HD2 ASN 51 10.163 0.789 7.217
394 2HD2 ASN 51 2HD2 ASN 51 11.676 0.176 6.651
395 H TYR 52 H TYR 52 5.517 0.768 4.407
396 HA TYR 52 HA TYR 52 4.867 0.300 7.220
397 1HB TYR 52 2HB TYR 52 3.340 1.602 4.961
398 2HB TYR 52 1HB TYR 52 2.702 1.404 6.584
399 HD1 TYR 52 1HD TYR 52 6.169 2.407 5.601
400 HD2 TYR 52 2HD TYR 52 2.463 3.607 7.314
401 HE1 TYR 52 1HE TYR 52 7.168 4.556 6.245
402 HE2 TYR 52 2HE TYR 52 3.461 5.752 7.968
403 HH TYR 52 HH TYR 52 5.289 7.193 7.325
404 H ILE 53 H ILE 53 4.901 -1.536 4.474
405 HA ILE 53 HA ILE 53 2.967 -3.315 5.648
406 HB ILE 53 HB ILE 53 1.349 -2.941 4.180
407 1HG1 ILE 53 2HG1 ILE 53 2.496 -4.727 2.807
408 2HG1 ILE 53 1HG1 ILE 53 1.383 -3.672 1.956
409 1HG2 ILE 53 1HG2 ILE 53 1.595 -1.212 2.383
410 2HG2 ILE 53 2HG2 ILE 53 3.277 -1.053 2.891
411 3HG2 ILE 53 3HG2 ILE 53 1.980 -0.687 4.023
412 1HD1 ILE 53 1HD1 ILE 53 4.361 -3.306 1.972
413 2HD1 ILE 53 2HD1 ILE 53 3.175 -2.427 1.012
414 3HD1 ILE 53 3HD1 ILE 53 3.451 -4.143 0.716
415 H GLU 54 H GLU 54 2.993 -5.480 4.557
416 HA GLU 54 HA GLU 54 5.448 -6.178 3.097
417 1HB GLU 54 2HB GLU 54 5.844 -6.486 5.541
418 2HB GLU 54 1HB GLU 54 4.475 -7.585 5.595
419 1HG GLU 54 2HG GLU 54 5.979 -9.193 5.282
420 2HG GLU 54 1HG GLU 54 6.001 -8.667 3.604
421 H MET 55 H MET 55 5.244 -8.291 2.009
422 HA MET 55 HA MET 55 2.743 -8.712 0.835
423 1HB MET 55 2HB MET 55 4.968 -10.736 1.078
424 2HB MET 55 1HB MET 55 3.660 -10.750 -0.096
425 1HG MET 55 2HG MET 55 4.818 -9.484 -1.485
426 2HG MET 55 1HG MET 55 5.052 -8.254 -0.247
427 1HE MET 55 1HE MET 55 7.768 -11.714 -1.397
428 2HE MET 55 2HE MET 55 7.323 -10.514 -2.610
429 3HE MET 55 3HE MET 55 6.071 -11.454 -1.798
430 H LYS 56 H LYS 56 1.001 -9.662 1.409
431 HA LYS 56 HA LYS 56 0.791 -11.198 3.876
432 1HB LYS 56 2HB LYS 56 -0.916 -9.362 3.123
433 2HB LYS 56 1HB LYS 56 -1.470 -10.575 1.978
434 1HG LYS 56 2HG LYS 56 -2.866 -10.600 3.935
435 2HG LYS 56 1HG LYS 56 -1.941 -12.101 3.851
436 1HD LYS 56 2HD LYS 56 -0.317 -11.126 5.457
437 2HD LYS 56 1HD LYS 56 -1.359 -9.711 5.598
438 1HE LYS 56 2HE LYS 56 -2.813 -12.194 5.982
439 2HE LYS 56 1HE LYS 56 -1.488 -12.011 7.130
440 1HZ LYS 56 1HZ LYS 56 -2.497 -10.302 8.153
441 2HZ LYS 56 2HZ LYS 56 -3.903 -10.966 7.488
442 3HZ LYS 56 3HZ LYS 56 -3.142 -9.662 6.726
443 H ASN 57 H ASN 57 1.838 -11.745 0.972
444 HA ASN 57 HA ASN 57 0.409 -14.280 0.540
445 1HB ASN 57 2HB ASN 57 2.068 -12.592 -1.346
446 2HB ASN 57 1HB ASN 57 1.475 -14.201 -1.745
447 1HD2 ASN 57 1HD2 ASN 57 0.479 -12.977 -3.523
448 2HD2 ASN 57 2HD2 ASN 57 -1.070 -12.261 -3.253
449 H HIS 58 H HIS 58 2.084 -14.436 2.614
450 HA HIS 58 HA HIS 58 4.031 -16.293 1.627
451 1HB HIS 58 2HB HIS 58 5.006 -13.859 1.578
452 2HB HIS 58 1HB HIS 58 5.204 -14.107 3.310
453 HD1 HIS 58 1HD HIS 58 7.555 -13.824 1.183
454 HD2 HIS 58 2HD HIS 58 6.149 -17.365 2.841
455 HE1 HIS 58 1HE HIS 58 9.453 -15.464 0.980
456 HE2 HIS 58 2HE HIS 58 8.560 -17.614 1.943
457 H ASP 59 H ASP 59 1.763 -15.624 3.790
458 HA ASP 59 HA ASP 59 3.110 -16.827 6.099
459 1HB ASP 59 2HB ASP 59 0.404 -15.492 5.842
460 2HB ASP 59 1HB ASP 59 1.018 -16.218 7.325
Start of MODEL 6
1 1H MET 1 1HT MET 1 -0.156 -10.585 -4.100
2 2H MET 1 2HT MET 1 0.178 -9.656 -5.497
3 3H MET 1 3HT MET 1 -0.233 -11.311 -5.649
4 HA MET 1 HA MET 1 -1.909 -9.336 -5.987
5 1HB MET 1 2HB MET 1 -3.677 -11.054 -5.600
6 2HB MET 1 1HB MET 1 -2.331 -11.645 -6.562
7 1HG MET 1 2HG MET 1 -1.396 -12.582 -4.395
8 2HG MET 1 1HG MET 1 -2.980 -12.249 -3.699
9 1HE MET 1 1HE MET 1 -1.738 -14.921 -3.526
10 2HE MET 1 2HE MET 1 -2.743 -16.157 -4.284
11 3HE MET 1 3HE MET 1 -3.459 -15.009 -3.152
12 H GLU 2 H GLU 2 -1.209 -10.601 -2.849
13 HA GLU 2 HA GLU 2 -2.821 -8.417 -1.743
14 1HB GLU 2 2HB GLU 2 -2.692 -11.122 -0.408
15 2HB GLU 2 1HB GLU 2 -3.680 -9.744 0.051
16 1HG GLU 2 2HG GLU 2 -5.050 -9.978 -1.875
17 2HG GLU 2 1HG GLU 2 -3.966 -11.178 -2.571
18 H ALA 3 H ALA 3 -2.004 -7.353 -0.013
19 HA ALA 3 HA ALA 3 0.470 -8.127 1.219
20 1HB ALA 3 1HB ALA 3 0.128 -5.628 -0.400
21 2HB ALA 3 2HB ALA 3 1.317 -6.909 -0.634
22 3HB ALA 3 3HB ALA 3 1.423 -5.854 0.775
23 H ILE 4 H ILE 4 0.647 -7.356 3.330
24 HA ILE 4 HA ILE 4 -1.648 -5.772 4.225
25 HB ILE 4 HB ILE 4 -0.711 -8.184 5.181
26 1HG1 ILE 4 2HG1 ILE 4 -2.958 -7.095 5.402
27 2HG1 ILE 4 1HG1 ILE 4 -2.420 -7.981 6.820
28 1HG2 ILE 4 1HG2 ILE 4 0.855 -7.934 6.717
29 2HG2 ILE 4 2HG2 ILE 4 -0.255 -6.946 7.662
30 3HG2 ILE 4 3HG2 ILE 4 0.837 -6.186 6.512
31 1HD1 ILE 4 1HD1 ILE 4 -1.559 -5.363 7.226
32 2HD1 ILE 4 2HD1 ILE 4 -2.906 -6.182 8.013
33 3HD1 ILE 4 3HD1 ILE 4 -3.185 -5.229 6.558
34 H ALA 5 H ALA 5 -1.188 -4.172 5.922
35 HA ALA 5 HA ALA 5 1.576 -3.329 6.104
36 1HB ALA 5 1HB ALA 5 1.162 -1.087 5.275
37 2HB ALA 5 2HB ALA 5 -0.545 -1.463 5.052
38 3HB ALA 5 3HB ALA 5 0.669 -2.265 4.059
39 H LYS 6 H LYS 6 1.819 -3.149 8.310
40 HA LYS 6 HA LYS 6 -0.454 -1.818 9.634
41 1HB LYS 6 2HB LYS 6 1.194 -2.942 11.631
42 2HB LYS 6 1HB LYS 6 -0.429 -3.430 11.175
43 1HG LYS 6 2HG LYS 6 0.971 -5.348 11.148
44 2HG LYS 6 1HG LYS 6 0.569 -4.947 9.476
45 1HD LYS 6 2HD LYS 6 2.885 -3.523 9.935
46 2HD LYS 6 1HD LYS 6 3.154 -5.029 10.815
47 1HE LYS 6 2HE LYS 6 2.938 -6.330 8.899
48 2HE LYS 6 1HE LYS 6 2.104 -5.054 8.013
49 1HZ LYS 6 1HZ LYS 6 4.083 -3.894 7.685
50 2HZ LYS 6 2HZ LYS 6 4.508 -5.506 7.429
51 3HZ LYS 6 3HZ LYS 6 4.912 -4.755 8.882
52 H HIS 7 H HIS 7 0.101 0.184 9.304
53 HA HIS 7 HA HIS 7 1.510 1.337 11.317
54 1HB HIS 7 2HB HIS 7 2.878 1.308 8.640
55 2HB HIS 7 1HB HIS 7 2.961 2.778 9.600
56 HD1 HIS 7 1HD HIS 7 3.048 0.845 12.303
57 HD2 HIS 7 2HD HIS 7 5.690 1.032 9.103
58 HE1 HIS 7 1HE HIS 7 5.224 -0.063 13.174
59 HE2 HIS 7 2HE HIS 7 6.769 -0.057 11.187
60 H ASP 8 H ASP 8 0.116 3.236 11.626
61 HA ASP 8 HA ASP 8 -1.932 3.632 9.718
62 1HB ASP 8 2HB ASP 8 -2.381 5.813 10.862
63 2HB ASP 8 1HB ASP 8 -2.289 4.459 11.984
64 H PHE 9 H PHE 9 -2.150 5.520 8.205
65 HA PHE 9 HA PHE 9 0.134 7.175 7.769
66 1HB PHE 9 2HB PHE 9 1.039 5.148 6.717
67 2HB PHE 9 1HB PHE 9 -0.366 5.068 5.663
68 HD1 PHE 9 1HD PHE 9 2.216 7.566 6.672
69 HD2 PHE 9 2HD PHE 9 -0.049 5.820 3.519
70 HE1 PHE 9 1HE PHE 9 3.385 8.999 5.045
71 HE2 PHE 9 2HE PHE 9 1.116 7.247 1.891
72 HZ PHE 9 HZ PHE 9 2.833 8.841 2.651
73 H SER 10 H SER 10 -0.019 8.701 6.279
74 HA SER 10 HA SER 10 -2.457 8.906 4.726
75 1HB SER 10 2HB SER 10 -2.545 10.243 6.994
76 2HB SER 10 1HB SER 10 -1.552 11.399 6.107
77 HG SER 10 HG SER 10 -3.607 11.997 5.682
78 H ALA 11 H ALA 11 -1.519 8.746 2.839
79 HA ALA 11 HA ALA 11 0.675 9.075 1.549
80 1HB ALA 11 1HB ALA 11 -2.034 10.028 0.944
81 2HB ALA 11 2HB ALA 11 -1.018 8.864 0.105
82 3HB ALA 11 3HB ALA 11 -0.741 10.593 -0.110
83 H THR 12 H THR 12 2.051 10.327 0.691
84 HA THR 12 HA THR 12 2.299 13.024 1.784
85 HB THR 12 HB THR 12 4.203 10.796 1.309
86 HG1 THR 12 1HG THR 12 5.279 12.318 2.948
87 1HG2 THR 12 1HG2 THR 12 4.893 12.626 -0.389
88 2HG2 THR 12 2HG2 THR 12 6.095 11.978 0.725
89 3HG2 THR 12 3HG2 THR 12 5.360 13.549 1.039
90 H ALA 13 H ALA 13 1.603 11.315 -1.021
91 HA ALA 13 HA ALA 13 1.955 13.745 -2.632
92 1HB ALA 13 1HB ALA 13 2.650 10.925 -3.440
93 2HB ALA 13 2HB ALA 13 3.674 12.355 -3.490
94 3HB ALA 13 3HB ALA 13 2.329 12.196 -4.616
95 H ASP 14 H ASP 14 0.255 13.928 -4.296
96 HA ASP 14 HA ASP 14 -2.284 13.332 -3.372
97 1HB ASP 14 2HB ASP 14 -1.172 14.773 -5.486
98 2HB ASP 14 1HB ASP 14 -2.225 13.592 -6.257
99 H ASP 15 H ASP 15 -0.246 11.571 -5.612
100 HA ASP 15 HA ASP 15 -2.348 9.658 -6.206
101 1HB ASP 15 2HB ASP 15 -0.528 8.578 -7.596
102 2HB ASP 15 1HB ASP 15 -0.950 10.225 -8.061
103 H GLU 16 H GLU 16 -1.033 10.001 -3.427
104 HA GLU 16 HA GLU 16 -0.024 7.260 -3.137
105 1HB GLU 16 2HB GLU 16 0.302 9.725 -1.448
106 2HB GLU 16 1HB GLU 16 0.604 8.122 -0.799
107 1HG GLU 16 2HG GLU 16 2.117 7.951 -2.958
108 2HG GLU 16 1HG GLU 16 2.135 9.699 -2.760
109 H LEU 17 H LEU 17 -1.377 5.835 -2.490
110 HA LEU 17 HA LEU 17 -3.974 6.483 -1.457
111 1HB LEU 17 2HB LEU 17 -3.094 4.471 -2.938
112 2HB LEU 17 1HB LEU 17 -2.817 3.729 -1.375
113 HG LEU 17 HG LEU 17 -5.040 3.428 -0.967
114 1HD1 LEU 17 1HD1 LEU 17 -5.717 5.727 -0.910
115 2HD1 LEU 17 2HD1 LEU 17 -6.849 4.839 -1.931
116 3HD1 LEU 17 3HD1 LEU 17 -5.606 5.851 -2.667
117 1HD2 LEU 17 1HD2 LEU 17 -4.287 2.981 -3.649
118 2HD2 LEU 17 2HD2 LEU 17 -5.950 3.567 -3.662
119 3HD2 LEU 17 3HD2 LEU 17 -5.522 2.147 -2.706
120 H SER 18 H SER 18 -4.474 6.745 0.643
121 HA SER 18 HA SER 18 -2.549 6.076 2.727
122 1HB SER 18 2HB SER 18 -5.262 7.398 2.949
123 2HB SER 18 1HB SER 18 -4.091 7.233 4.256
124 HG SER 18 HG SER 18 -2.650 8.463 2.914
125 H PHE 19 H PHE 19 -3.410 5.131 4.797
126 HA PHE 19 HA PHE 19 -5.649 3.409 4.757
127 1HB PHE 19 2HB PHE 19 -4.552 1.234 4.639
128 2HB PHE 19 1HB PHE 19 -4.204 2.150 3.175
129 HD1 PHE 19 1HD PHE 19 -1.972 3.236 2.913
130 HD2 PHE 19 2HD PHE 19 -2.831 0.520 6.069
131 HE1 PHE 19 1HE PHE 19 0.441 2.926 3.299
132 HE2 PHE 19 2HE PHE 19 -0.424 0.207 6.463
133 HZ PHE 19 HZ PHE 19 1.214 1.411 5.077
134 H ARG 20 H ARG 20 -5.323 1.611 6.565
135 HA ARG 20 HA ARG 20 -4.200 3.028 8.894
136 1HB ARG 20 2HB ARG 20 -6.697 2.852 8.784
137 2HB ARG 20 1HB ARG 20 -6.531 1.107 8.877
138 1HG ARG 20 2HG ARG 20 -5.229 1.598 11.065
139 2HG ARG 20 1HG ARG 20 -6.023 3.168 10.979
140 1HD ARG 20 2HD ARG 20 -7.593 2.047 12.174
141 2HD ARG 20 1HD ARG 20 -8.137 1.628 10.551
142 HE ARG 20 HE ARG 20 -6.287 -0.184 11.918
143 1HH1 ARG 20 1HH1 ARG 20 -9.514 0.459 10.745
144 2HH1 ARG 20 2HH1 ARG 20 -10.019 -1.191 10.864
145 1HH2 ARG 20 1HH2 ARG 20 -6.959 -2.351 12.072
146 2HH2 ARG 20 2HH2 ARG 20 -8.568 -2.789 11.612
147 H LYS 21 H LYS 21 -3.631 1.472 10.797
148 HA LYS 21 HA LYS 21 -1.776 -0.446 9.930
149 1HB LYS 21 2HB LYS 21 -2.112 0.780 12.250
150 2HB LYS 21 1HB LYS 21 -3.089 -0.637 12.617
151 1HG LYS 21 2HG LYS 21 -0.812 -1.716 11.568
152 2HG LYS 21 1HG LYS 21 -0.200 -0.339 12.473
153 1HD LYS 21 2HD LYS 21 -2.180 -1.690 14.031
154 2HD LYS 21 1HD LYS 21 -1.003 -2.870 13.451
155 1HE LYS 21 2HE LYS 21 0.164 -0.371 14.448
156 2HE LYS 21 1HE LYS 21 -0.694 -1.315 15.667
157 1HZ LYS 21 1HZ LYS 21 1.842 -1.728 15.030
158 2HZ LYS 21 2HZ LYS 21 1.115 -2.789 13.930
159 3HZ LYS 21 3HZ LYS 21 0.825 -2.961 15.588
160 H THR 22 H THR 22 -1.986 -2.575 9.473
161 HA THR 22 HA THR 22 -2.755 -4.677 9.368
162 HB THR 22 HB THR 22 -4.330 -5.519 10.841
163 HG1 THR 22 1HG THR 22 -5.464 -3.020 11.399
164 1HG2 THR 22 1HG2 THR 22 -3.384 -4.961 12.761
165 2HG2 THR 22 2HG2 THR 22 -3.960 -3.298 12.651
166 3HG2 THR 22 3HG2 THR 22 -2.462 -3.767 11.849
167 H GLN 23 H GLN 23 -4.138 -2.201 7.738
168 HA GLN 23 HA GLN 23 -6.398 -3.775 6.849
169 1HB GLN 23 2HB GLN 23 -6.393 -1.195 6.908
170 2HB GLN 23 1HB GLN 23 -5.546 -1.317 5.371
171 1HG GLN 23 2HG GLN 23 -7.408 -2.655 4.480
172 2HG GLN 23 1HG GLN 23 -8.261 -2.449 6.009
173 1HE2 GLN 23 1HE2 GLN 23 -9.829 -1.596 4.312
174 2HE2 GLN 23 2HE2 GLN 23 -9.764 0.102 3.999
175 H ILE 24 H ILE 24 -6.683 -4.714 4.863
176 HA ILE 24 HA ILE 24 -4.207 -5.632 3.670
177 HB ILE 24 HB ILE 24 -5.952 -6.923 2.149
178 1HG1 ILE 24 2HG1 ILE 24 -7.797 -7.547 4.031
179 2HG1 ILE 24 1HG1 ILE 24 -7.599 -5.836 4.361
180 1HG2 ILE 24 1HG2 ILE 24 -5.956 -8.731 3.891
181 2HG2 ILE 24 2HG2 ILE 24 -5.205 -7.571 4.989
182 3HG2 ILE 24 3HG2 ILE 24 -4.374 -8.051 3.509
183 1HD1 ILE 24 1HD1 ILE 24 -9.383 -6.012 2.858
184 2HD1 ILE 24 2HD1 ILE 24 -8.505 -7.142 1.828
185 3HD1 ILE 24 3HD1 ILE 24 -8.012 -5.452 1.901
186 H LEU 25 H LEU 25 -3.301 -4.777 1.954
187 HA LEU 25 HA LEU 25 -4.928 -3.029 0.242
188 1HB LEU 25 2HB LEU 25 -1.928 -3.027 0.474
189 2HB LEU 25 1HB LEU 25 -2.943 -1.819 -0.293
190 HG LEU 25 HG LEU 25 -3.218 -2.376 2.638
191 1HD1 LEU 25 1HD1 LEU 25 -0.817 -1.961 2.112
192 2HD1 LEU 25 2HD1 LEU 25 -1.558 -0.755 3.164
193 3HD1 LEU 25 3HD1 LEU 25 -1.290 -0.394 1.459
194 1HD2 LEU 25 1HD2 LEU 25 -4.505 -0.544 2.661
195 2HD2 LEU 25 2HD2 LEU 25 -4.617 -0.790 0.918
196 3HD2 LEU 25 3HD2 LEU 25 -3.433 0.343 1.575
197 H LYS 26 H LYS 26 -4.835 -3.165 -1.979
198 HA LYS 26 HA LYS 26 -4.147 -5.761 -3.078
199 1HB LYS 26 2HB LYS 26 -5.659 -3.340 -3.905
200 2HB LYS 26 1HB LYS 26 -4.968 -4.310 -5.195
201 1HG LYS 26 2HG LYS 26 -7.119 -5.153 -4.926
202 2HG LYS 26 1HG LYS 26 -6.094 -6.297 -4.056
203 1HD LYS 26 2HD LYS 26 -6.784 -5.528 -1.975
204 2HD LYS 26 1HD LYS 26 -7.332 -3.980 -2.621
205 1HE LYS 26 2HE LYS 26 -9.102 -5.278 -3.873
206 2HE LYS 26 1HE LYS 26 -8.645 -6.674 -2.896
207 1HZ LYS 26 1HZ LYS 26 -10.533 -5.481 -1.954
208 2HZ LYS 26 2HZ LYS 26 -9.605 -4.072 -1.828
209 3HZ LYS 26 3HZ LYS 26 -9.203 -5.433 -0.910
210 H ILE 27 H ILE 27 -1.919 -5.903 -3.279
211 HA ILE 27 HA ILE 27 -0.364 -3.724 -4.346
212 HB ILE 27 HB ILE 27 0.399 -5.534 -2.686
213 1HG1 ILE 27 2HG1 ILE 27 2.728 -5.442 -4.076
214 2HG1 ILE 27 1HG1 ILE 27 1.825 -4.143 -4.853
215 1HG2 ILE 27 1HG2 ILE 27 1.625 -7.024 -4.858
216 2HG2 ILE 27 2HG2 ILE 27 -0.121 -7.252 -4.745
217 3HG2 ILE 27 3HG2 ILE 27 0.903 -7.588 -3.353
218 1HD1 ILE 27 1HD1 ILE 27 2.432 -4.407 -1.922
219 2HD1 ILE 27 2HD1 ILE 27 1.422 -3.150 -2.631
220 3HD1 ILE 27 3HD1 ILE 27 3.127 -3.251 -3.048
221 H LEU 28 H LEU 28 0.251 -3.408 -6.473
222 HA LEU 28 HA LEU 28 -0.162 -5.600 -8.354
223 1HB LEU 28 2HB LEU 28 -1.569 -4.313 -9.835
224 2HB LEU 28 1HB LEU 28 -2.312 -4.502 -8.258
225 HG LEU 28 HG LEU 28 -0.966 -2.093 -8.056
226 1HD1 LEU 28 1HD1 LEU 28 -2.425 -2.039 -10.675
227 2HD1 LEU 28 2HD1 LEU 28 -0.685 -2.299 -10.579
228 3HD1 LEU 28 3HD1 LEU 28 -1.388 -0.802 -9.966
229 1HD2 LEU 28 1HD2 LEU 28 -3.740 -3.027 -8.278
230 2HD2 LEU 28 2HD2 LEU 28 -3.482 -1.320 -8.629
231 3HD2 LEU 28 3HD2 LEU 28 -2.985 -1.983 -7.073
232 H ASN 29 H ASN 29 1.497 -2.594 -7.644
233 HA ASN 29 HA ASN 29 3.226 -3.260 -9.886
234 1HB ASN 29 2HB ASN 29 1.734 -1.771 -11.019
235 2HB ASN 29 1HB ASN 29 1.776 -0.623 -9.690
236 1HD2 ASN 29 1HD2 ASN 29 3.883 0.372 -9.235
237 2HD2 ASN 29 2HD2 ASN 29 4.889 0.772 -10.574
238 H MET 30 H MET 30 4.871 -3.580 -8.997
239 HA MET 30 HA MET 30 6.275 -1.650 -7.277
240 1HB MET 30 2HB MET 30 7.234 -3.434 -6.047
241 2HB MET 30 1HB MET 30 5.484 -3.475 -5.924
242 1HG MET 30 2HG MET 30 5.297 -5.437 -7.052
243 2HG MET 30 1HG MET 30 6.751 -5.162 -8.002
244 1HE MET 30 1HE MET 30 6.310 -7.785 -4.465
245 2HE MET 30 2HE MET 30 5.859 -8.040 -6.151
246 3HE MET 30 3HE MET 30 5.068 -6.775 -5.209
247 H GLU 31 H GLU 31 8.220 -1.144 -8.045
248 HA GLU 31 HA GLU 31 10.177 -2.560 -8.709
249 1HB GLU 31 2HB GLU 31 8.724 -3.769 -10.435
250 2HB GLU 31 1HB GLU 31 9.138 -2.440 -11.499
251 1HG GLU 31 2HG GLU 31 10.884 -3.689 -12.058
252 2HG GLU 31 1HG GLU 31 11.576 -3.172 -10.519
253 H ASP 32 H ASP 32 8.723 0.104 -10.404
254 HA ASP 32 HA ASP 32 11.290 1.187 -11.135
255 1HB ASP 32 2HB ASP 32 8.473 1.944 -11.560
256 2HB ASP 32 1HB ASP 32 9.560 3.310 -11.336
257 H ASP 33 H ASP 33 9.481 0.945 -8.378
258 HA ASP 33 HA ASP 33 11.035 3.022 -7.061
259 1HB ASP 33 2HB ASP 33 8.146 3.028 -7.469
260 2HB ASP 33 1HB ASP 33 8.591 3.164 -5.770
261 H SER 34 H SER 34 12.223 1.155 -6.229
262 HA SER 34 HA SER 34 11.082 -1.030 -4.922
263 1HB SER 34 2HB SER 34 13.707 0.035 -5.369
264 2HB SER 34 1HB SER 34 13.576 -0.492 -3.693
265 HG SER 34 HG SER 34 13.556 -2.483 -4.345
266 H ASN 35 H ASN 35 10.002 1.706 -3.940
267 HA ASN 35 HA ASN 35 10.323 1.047 -1.078
268 1HB ASN 35 2HB ASN 35 11.357 3.369 -2.475
269 2HB ASN 35 1HB ASN 35 10.300 3.809 -1.138
270 1HD2 ASN 35 1HD2 ASN 35 12.886 1.457 -1.820
271 2HD2 ASN 35 2HD2 ASN 35 13.711 1.690 -0.321
272 H TRP 36 H TRP 36 8.426 2.545 -3.598
273 HA TRP 36 HA TRP 36 6.150 2.615 -1.732
274 1HB TRP 36 2HB TRP 36 6.534 4.553 -4.026
275 2HB TRP 36 1HB TRP 36 5.291 4.605 -2.777
276 HD1 TRP 36 HD TRP 36 9.092 5.093 -3.189
277 HE1 TRP 36 1HE TRP 36 9.921 6.643 -1.315
278 HE3 TRP 36 3HE TRP 36 4.741 5.564 -0.527
279 HZ2 TRP 36 2HZ TRP 36 8.875 7.889 0.991
280 HZ3 TRP 36 3HZ TRP 36 4.755 6.955 1.519
281 HH2 TRP 36 HH TRP 36 6.783 8.095 2.243
282 H TYR 37 H TYR 37 4.632 1.176 -2.350
283 HA TYR 37 HA TYR 37 4.819 0.178 -5.100
284 1HB TYR 37 2HB TYR 37 3.398 -1.000 -2.700
285 2HB TYR 37 1HB TYR 37 3.404 -1.701 -4.305
286 HD1 TYR 37 1HD TYR 37 4.578 -3.668 -4.156
287 HD2 TYR 37 2HD TYR 37 6.215 -0.189 -2.332
288 HE1 TYR 37 1HE TYR 37 6.624 -4.915 -3.630
289 HE2 TYR 37 2HE TYR 37 8.273 -1.428 -1.813
290 HH TYR 37 HH TYR 37 8.500 -4.853 -2.190
291 H ARG 38 H ARG 38 2.969 -0.188 -6.396
292 HA ARG 38 HA ARG 38 0.935 1.873 -5.971
293 1HB ARG 38 2HB ARG 38 2.274 0.859 -8.291
294 2HB ARG 38 1HB ARG 38 0.572 0.452 -8.447
295 1HG ARG 38 2HG ARG 38 -0.015 2.562 -8.861
296 2HG ARG 38 1HG ARG 38 1.031 3.201 -7.592
297 1HD ARG 38 2HD ARG 38 2.956 3.029 -9.052
298 2HD ARG 38 1HD ARG 38 1.965 2.287 -10.308
299 HE ARG 38 HE ARG 38 1.182 4.939 -9.399
300 1HH1 ARG 38 1HH1 ARG 38 2.789 2.998 -11.818
301 2HH1 ARG 38 2HH1 ARG 38 2.719 4.232 -13.031
302 1HH2 ARG 38 1HH2 ARG 38 1.079 6.553 -10.991
303 2HH2 ARG 38 2HH2 ARG 38 1.741 6.253 -12.562
304 H ALA 39 H ALA 39 -0.569 1.069 -4.648
305 HA ALA 39 HA ALA 39 -1.537 -1.659 -5.140
306 1HB ALA 39 1HB ALA 39 -2.546 -1.237 -2.748
307 2HB ALA 39 2HB ALA 39 -1.293 0.001 -2.669
308 3HB ALA 39 3HB ALA 39 -0.850 -1.685 -2.938
309 H GLU 40 H GLU 40 -3.884 -1.942 -4.447
310 HA GLU 40 HA GLU 40 -5.420 0.318 -5.520
311 1HB GLU 40 2HB GLU 40 -5.358 -2.466 -6.355
312 2HB GLU 40 1HB GLU 40 -6.989 -1.917 -5.992
313 1HG GLU 40 2HG GLU 40 -6.447 0.090 -7.475
314 2HG GLU 40 1HG GLU 40 -5.077 -0.857 -8.033
315 H LEU 41 H LEU 41 -7.443 0.751 -4.633
316 HA LEU 41 HA LEU 41 -8.473 -0.828 -2.460
317 1HB LEU 41 2HB LEU 41 -6.623 0.459 -1.428
318 2HB LEU 41 1HB LEU 41 -7.385 1.945 -1.960
319 HG LEU 41 HG LEU 41 -9.354 0.576 -0.494
320 1HD1 LEU 41 1HD1 LEU 41 -7.172 -0.662 0.303
321 2HD1 LEU 41 2HD1 LEU 41 -8.429 -0.196 1.448
322 3HD1 LEU 41 3HD1 LEU 41 -6.979 0.792 1.282
323 1HD2 LEU 41 1HD2 LEU 41 -9.420 2.853 -0.339
324 2HD2 LEU 41 2HD2 LEU 41 -7.670 3.006 -0.182
325 3HD2 LEU 41 3HD2 LEU 41 -8.637 2.471 1.194
326 H ASP 42 H ASP 42 -10.637 -0.571 -2.365
327 HA ASP 42 HA ASP 42 -12.724 0.097 -3.008
328 1HB ASP 42 2HB ASP 42 -11.390 2.222 -1.670
329 2HB ASP 42 1HB ASP 42 -12.403 2.929 -2.924
330 H GLY 43 H GLY 43 -10.412 0.249 -5.162
331 1HA GLY 43 2HA GLY 43 -10.939 0.296 -7.497
332 2HA GLY 43 1HA GLY 43 -12.141 1.533 -7.166
333 H LYS 44 H LYS 44 -8.936 1.801 -5.715
334 HA LYS 44 HA LYS 44 -8.286 3.879 -7.701
335 1HB LYS 44 2HB LYS 44 -9.181 4.634 -5.393
336 2HB LYS 44 1HB LYS 44 -7.625 4.096 -4.776
337 1HG LYS 44 2HG LYS 44 -6.933 6.164 -5.206
338 2HG LYS 44 1HG LYS 44 -6.896 5.658 -6.897
339 1HD LYS 44 2HD LYS 44 -9.056 6.569 -7.301
340 2HD LYS 44 1HD LYS 44 -9.336 6.831 -5.578
341 1HE LYS 44 2HE LYS 44 -7.350 8.399 -5.635
342 2HE LYS 44 1HE LYS 44 -7.426 8.282 -7.393
343 1HZ LYS 44 1HZ LYS 44 -9.680 9.133 -7.321
344 2HZ LYS 44 2HZ LYS 44 -8.622 10.217 -6.568
345 3HZ LYS 44 3HZ LYS 44 -9.624 9.225 -5.632
346 H GLU 45 H GLU 45 -6.166 4.013 -8.327
347 HA GLU 45 HA GLU 45 -4.350 1.987 -7.217
348 1HB GLU 45 2HB GLU 45 -4.579 1.790 -9.618
349 2HB GLU 45 1HB GLU 45 -4.261 3.506 -9.834
350 1HG GLU 45 2HG GLU 45 -2.041 2.460 -8.453
351 2HG GLU 45 1HG GLU 45 -2.412 1.320 -9.745
352 H GLY 46 H GLY 46 -3.196 2.875 -5.512
353 1HA GLY 46 2HA GLY 46 -1.853 5.429 -6.099
354 2HA GLY 46 1HA GLY 46 -2.798 5.281 -4.631
355 H LEU 47 H LEU 47 0.066 5.817 -5.167
356 HA LEU 47 HA LEU 47 1.703 3.689 -4.484
357 1HB LEU 47 2HB LEU 47 1.930 6.464 -4.940
358 2HB LEU 47 1HB LEU 47 2.739 6.139 -3.420
359 HG LEU 47 HG LEU 47 3.959 4.260 -4.718
360 1HD1 LEU 47 1HD1 LEU 47 2.652 4.221 -6.714
361 2HD1 LEU 47 2HD1 LEU 47 4.252 4.836 -7.126
362 3HD1 LEU 47 3HD1 LEU 47 2.893 5.949 -6.972
363 1HD2 LEU 47 1HD2 LEU 47 5.053 6.264 -3.877
364 2HD2 LEU 47 2HD2 LEU 47 4.511 7.170 -5.291
365 3HD2 LEU 47 3HD2 LEU 47 5.662 5.847 -5.479
366 H ILE 48 H ILE 48 2.630 3.041 -2.496
367 HA ILE 48 HA ILE 48 1.578 4.226 -0.055
368 HB ILE 48 HB ILE 48 1.437 1.559 0.621
369 1HG1 ILE 48 2HG1 ILE 48 -0.361 0.852 -1.167
370 2HG1 ILE 48 1HG1 ILE 48 0.551 1.931 -2.217
371 1HG2 ILE 48 1HG2 ILE 48 -1.160 2.500 -0.090
372 2HG2 ILE 48 2HG2 ILE 48 -0.210 3.832 0.565
373 3HG2 ILE 48 3HG2 ILE 48 -0.419 2.358 1.502
374 1HD1 ILE 48 1HD1 ILE 48 2.158 0.432 -2.479
375 2HD1 ILE 48 2HD1 ILE 48 1.083 -0.728 -1.710
376 3HD1 ILE 48 3HD1 ILE 48 2.279 0.142 -0.750
377 HA PRO 49 HA PRO 49 5.894 4.226 1.200
378 1HB PRO 49 2HB PRO 49 4.708 3.676 3.822
379 2HB PRO 49 1HB PRO 49 5.713 5.020 3.297
380 1HG PRO 49 2HG PRO 49 2.862 4.946 3.568
381 2HG PRO 49 1HG PRO 49 3.877 6.304 3.068
382 1HD PRO 49 2HD PRO 49 2.069 4.969 1.449
383 2HD PRO 49 1HD PRO 49 3.409 5.956 0.854
384 H SER 50 H SER 50 7.370 2.613 1.567
385 HA SER 50 HA SER 50 6.576 -0.146 1.469
386 1HB SER 50 2HB SER 50 9.016 -0.582 1.682
387 2HB SER 50 1HB SER 50 8.608 0.506 0.361
388 HG SER 50 HG SER 50 10.031 0.977 2.672
389 H ASN 51 H ASN 51 8.054 1.841 4.011
390 HA ASN 51 HA ASN 51 8.442 -0.271 5.812
391 1HB ASN 51 2HB ASN 51 8.581 2.660 5.896
392 2HB ASN 51 1HB ASN 51 8.298 1.882 7.450
393 1HD2 ASN 51 1HD2 ASN 51 9.931 0.874 8.453
394 2HD2 ASN 51 2HD2 ASN 51 11.533 0.735 7.821
395 H TYR 52 H TYR 52 5.501 1.385 5.073
396 HA TYR 52 HA TYR 52 4.324 0.720 7.666
397 1HB TYR 52 2HB TYR 52 3.215 2.205 5.271
398 2HB TYR 52 1HB TYR 52 2.282 1.856 6.723
399 HD1 TYR 52 1HD TYR 52 1.938 3.821 7.888
400 HD2 TYR 52 2HD TYR 52 5.786 3.099 6.225
401 HE1 TYR 52 1HE TYR 52 2.778 5.881 8.940
402 HE2 TYR 52 2HE TYR 52 6.632 5.153 7.276
403 HH TYR 52 HH TYR 52 4.579 7.122 9.388
404 H ILE 53 H ILE 53 4.681 -0.519 4.532
405 HA ILE 53 HA ILE 53 2.593 -2.524 4.981
406 HB ILE 53 HB ILE 53 2.156 -2.691 2.683
407 1HG1 ILE 53 2HG1 ILE 53 3.720 -1.102 1.161
408 2HG1 ILE 53 1HG1 ILE 53 4.876 -1.535 2.417
409 1HG2 ILE 53 1HG2 ILE 53 2.500 0.130 3.591
410 2HG2 ILE 53 2HG2 ILE 53 1.027 -0.752 3.210
411 3HG2 ILE 53 3HG2 ILE 53 2.064 -0.176 1.915
412 1HD1 ILE 53 1HD1 ILE 53 3.366 -3.797 1.366
413 2HD1 ILE 53 2HD1 ILE 53 5.097 -3.615 1.650
414 3HD1 ILE 53 3HD1 ILE 53 4.373 -2.980 0.172
415 H GLU 54 H GLU 54 3.026 -4.604 4.172
416 HA GLU 54 HA GLU 54 5.779 -5.370 3.505
417 1HB GLU 54 2HB GLU 54 4.912 -5.568 6.057
418 2HB GLU 54 1HB GLU 54 4.349 -7.106 5.431
419 1HG GLU 54 2HG GLU 54 6.430 -7.581 6.320
420 2HG GLU 54 1HG GLU 54 6.741 -7.425 4.592
421 H MET 55 H MET 55 5.848 -7.157 2.109
422 HA MET 55 HA MET 55 3.616 -7.823 0.644
423 1HB MET 55 2HB MET 55 5.984 -8.180 -0.026
424 2HB MET 55 1HB MET 55 6.052 -9.558 1.061
425 1HG MET 55 2HG MET 55 5.664 -10.564 -0.953
426 2HG MET 55 1HG MET 55 4.027 -10.411 -0.315
427 1HE MET 55 1HE MET 55 2.263 -8.969 -3.183
428 2HE MET 55 2HE MET 55 2.139 -9.057 -1.426
429 3HE MET 55 3HE MET 55 2.608 -10.484 -2.350
430 H LYS 56 H LYS 56 1.881 -8.941 1.110
431 HA LYS 56 HA LYS 56 1.738 -10.673 3.442
432 1HB LYS 56 2HB LYS 56 -0.054 -8.898 2.730
433 2HB LYS 56 1HB LYS 56 -0.574 -10.135 1.603
434 1HG LYS 56 2HG LYS 56 -0.343 -11.380 4.112
435 2HG LYS 56 1HG LYS 56 -1.132 -9.829 4.393
436 1HD LYS 56 2HD LYS 56 -2.775 -10.336 2.653
437 2HD LYS 56 1HD LYS 56 -1.997 -11.888 2.364
438 1HE LYS 56 2HE LYS 56 -3.621 -12.592 3.778
439 2HE LYS 56 1HE LYS 56 -2.416 -12.134 4.981
440 1HZ LYS 56 1HZ LYS 56 -3.608 -10.344 5.629
441 2HZ LYS 56 2HZ LYS 56 -4.904 -11.270 5.058
442 3HZ LYS 56 3HZ LYS 56 -4.245 -10.050 4.090
443 H ASN 57 H ASN 57 -0.280 -12.323 2.597
444 HA ASN 57 HA ASN 57 -0.737 -14.261 1.521
445 1HB ASN 57 2HB ASN 57 0.643 -12.686 -0.464
446 2HB ASN 57 1HB ASN 57 1.158 -14.364 -0.599
447 1HD2 ASN 57 1HD2 ASN 57 -0.465 -15.980 -0.860
448 2HD2 ASN 57 2HD2 ASN 57 -1.960 -15.587 -1.632
449 H HIS 58 H HIS 58 2.640 -14.405 0.442
450 HA HIS 58 HA HIS 58 4.434 -15.542 1.349
451 1HB HIS 58 2HB HIS 58 2.708 -15.362 3.680
452 2HB HIS 58 1HB HIS 58 3.425 -16.964 3.573
453 HD1 HIS 58 1HD HIS 58 6.164 -15.881 2.336
454 HD2 HIS 58 2HD HIS 58 4.279 -14.518 5.775
455 HE1 HIS 58 1HE HIS 58 7.977 -14.822 3.719
456 HE2 HIS 58 2HE HIS 58 6.828 -14.084 5.837
457 H ASP 59 H ASP 59 1.561 -17.357 2.410
458 HA ASP 59 HA ASP 59 0.877 -19.486 1.967
459 1HB ASP 59 2HB ASP 59 0.865 -17.975 -0.394
460 2HB ASP 59 1HB ASP 59 1.551 -19.530 -0.854
Start of MODEL 7
1 1H MET 1 1HT MET 1 -2.752 -12.864 -5.532
2 2H MET 1 2HT MET 1 -3.110 -11.211 -5.243
3 3H MET 1 3HT MET 1 -3.509 -12.397 -4.067
4 HA MET 1 HA MET 1 -1.351 -12.740 -3.470
5 1HB MET 1 2HB MET 1 0.538 -11.848 -4.801
6 2HB MET 1 1HB MET 1 -0.436 -13.003 -5.697
7 1HG MET 1 2HG MET 1 -1.610 -11.053 -6.746
8 2HG MET 1 1HG MET 1 -0.402 -10.014 -5.992
9 1HE MET 1 1HE MET 1 0.663 -9.000 -8.333
10 2HE MET 1 2HE MET 1 -0.856 -9.719 -8.867
11 3HE MET 1 3HE MET 1 0.629 -10.028 -9.764
12 H GLU 2 H GLU 2 -2.329 -11.409 -1.812
13 HA GLU 2 HA GLU 2 -1.845 -8.534 -2.111
14 1HB GLU 2 2HB GLU 2 -3.951 -9.998 -1.077
15 2HB GLU 2 1HB GLU 2 -3.153 -9.357 0.352
16 1HG GLU 2 2HG GLU 2 -3.209 -7.129 -1.038
17 2HG GLU 2 1HG GLU 2 -4.544 -7.937 -1.844
18 H ALA 3 H ALA 3 -1.545 -7.455 0.004
19 HA ALA 3 HA ALA 3 0.549 -8.453 1.761
20 1HB ALA 3 1HB ALA 3 1.611 -7.256 -0.139
21 2HB ALA 3 2HB ALA 3 1.880 -6.484 1.425
22 3HB ALA 3 3HB ALA 3 0.685 -5.824 0.312
23 H ILE 4 H ILE 4 0.542 -7.503 3.801
24 HA ILE 4 HA ILE 4 -1.847 -5.879 4.367
25 HB ILE 4 HB ILE 4 -1.718 -7.981 5.614
26 1HG1 ILE 4 2HG1 ILE 4 -1.829 -7.080 7.927
27 2HG1 ILE 4 1HG1 ILE 4 -1.158 -5.561 7.343
28 1HG2 ILE 4 1HG2 ILE 4 0.373 -8.729 5.934
29 2HG2 ILE 4 2HG2 ILE 4 0.256 -7.830 7.447
30 3HG2 ILE 4 3HG2 ILE 4 1.049 -7.103 6.049
31 1HD1 ILE 4 1HD1 ILE 4 -3.410 -6.224 5.749
32 2HD1 ILE 4 2HD1 ILE 4 -3.186 -4.857 6.836
33 3HD1 ILE 4 3HD1 ILE 4 -3.856 -6.369 7.447
34 H ALA 5 H ALA 5 -1.588 -4.051 5.843
35 HA ALA 5 HA ALA 5 1.171 -3.056 5.913
36 1HB ALA 5 1HB ALA 5 -0.348 -2.053 4.109
37 2HB ALA 5 2HB ALA 5 0.570 -0.939 5.103
38 3HB ALA 5 3HB ALA 5 -1.141 -1.215 5.429
39 H LYS 6 H LYS 6 1.631 -3.143 8.135
40 HA LYS 6 HA LYS 6 -0.479 -1.898 9.781
41 1HB LYS 6 2HB LYS 6 0.735 -2.957 11.702
42 2HB LYS 6 1HB LYS 6 0.063 -4.113 10.560
43 1HG LYS 6 2HG LYS 6 2.909 -3.213 10.302
44 2HG LYS 6 1HG LYS 6 2.464 -4.476 11.448
45 1HD LYS 6 2HD LYS 6 1.197 -5.353 9.227
46 2HD LYS 6 1HD LYS 6 2.580 -4.533 8.503
47 1HE LYS 6 2HE LYS 6 3.160 -6.284 10.803
48 2HE LYS 6 1HE LYS 6 2.630 -7.088 9.324
49 1HZ LYS 6 1HZ LYS 6 4.582 -6.704 8.370
50 2HZ LYS 6 2HZ LYS 6 5.170 -6.263 9.886
51 3HZ LYS 6 3HZ LYS 6 4.603 -5.076 8.822
52 H HIS 7 H HIS 7 0.069 0.160 9.247
53 HA HIS 7 HA HIS 7 1.608 1.372 11.086
54 1HB HIS 7 2HB HIS 7 2.933 1.050 8.439
55 2HB HIS 7 1HB HIS 7 3.043 2.644 9.173
56 HD1 HIS 7 1HD HIS 7 3.099 1.057 12.113
57 HD2 HIS 7 2HD HIS 7 5.752 0.838 8.924
58 HE1 HIS 7 1HE HIS 7 5.262 0.242 13.095
59 HE2 HIS 7 2HE HIS 7 6.854 0.115 11.146
60 H ASP 8 H ASP 8 0.294 3.375 11.333
61 HA ASP 8 HA ASP 8 -1.746 3.728 9.398
62 1HB ASP 8 2HB ASP 8 -2.001 6.065 10.447
63 2HB ASP 8 1HB ASP 8 -2.272 4.679 11.497
64 H PHE 9 H PHE 9 -1.936 5.560 7.841
65 HA PHE 9 HA PHE 9 0.355 7.186 7.343
66 1HB PHE 9 2HB PHE 9 0.996 4.902 6.348
67 2HB PHE 9 1HB PHE 9 -0.193 5.266 5.101
68 HD1 PHE 9 1HD PHE 9 0.370 6.614 3.289
69 HD2 PHE 9 2HD PHE 9 2.868 6.582 6.723
70 HE1 PHE 9 1HE PHE 9 2.054 7.934 2.077
71 HE2 PHE 9 2HE PHE 9 4.561 7.894 5.521
72 HZ PHE 9 HZ PHE 9 4.154 8.576 3.190
73 H SER 10 H SER 10 -0.124 8.935 6.444
74 HA SER 10 HA SER 10 -2.566 9.062 4.821
75 1HB SER 10 2HB SER 10 -2.685 10.401 6.983
76 2HB SER 10 1HB SER 10 -1.438 11.445 6.303
77 HG SER 10 HG SER 10 -2.827 12.165 4.812
78 H ALA 11 H ALA 11 -1.705 8.805 2.863
79 HA ALA 11 HA ALA 11 0.417 9.061 1.469
80 1HB ALA 11 1HB ALA 11 -2.286 10.111 0.981
81 2HB ALA 11 2HB ALA 11 -1.378 8.867 0.133
82 3HB ALA 11 3HB ALA 11 -1.033 10.570 -0.170
83 H THR 12 H THR 12 1.874 10.244 0.625
84 HA THR 12 HA THR 12 2.189 13.003 1.541
85 HB THR 12 HB THR 12 4.041 10.711 1.205
86 HG1 THR 12 1HG THR 12 4.511 11.480 3.077
87 1HG2 THR 12 1HG2 THR 12 5.813 11.602 0.163
88 2HG2 THR 12 2HG2 THR 12 5.507 13.230 0.764
89 3HG2 THR 12 3HG2 THR 12 4.635 12.630 -0.645
90 H ALA 13 H ALA 13 1.307 11.213 -1.131
91 HA ALA 13 HA ALA 13 1.766 13.516 -2.916
92 1HB ALA 13 1HB ALA 13 3.356 11.621 -3.420
93 2HB ALA 13 2HB ALA 13 2.300 12.084 -4.755
94 3HB ALA 13 3HB ALA 13 1.944 10.639 -3.811
95 H ASP 14 H ASP 14 0.096 13.681 -4.620
96 HA ASP 14 HA ASP 14 -2.510 13.306 -3.698
97 1HB ASP 14 2HB ASP 14 -1.396 13.790 -6.461
98 2HB ASP 14 1HB ASP 14 -3.125 13.732 -6.128
99 H ASP 15 H ASP 15 -0.494 11.407 -5.838
100 HA ASP 15 HA ASP 15 -2.605 9.464 -6.320
101 1HB ASP 15 2HB ASP 15 -0.025 10.146 -7.548
102 2HB ASP 15 1HB ASP 15 -0.321 8.413 -7.427
103 H GLU 16 H GLU 16 -1.288 9.957 -3.605
104 HA GLU 16 HA GLU 16 -0.201 7.272 -3.184
105 1HB GLU 16 2HB GLU 16 0.272 9.898 -1.924
106 2HB GLU 16 1HB GLU 16 0.194 8.531 -0.828
107 1HG GLU 16 2HG GLU 16 1.899 7.407 -2.287
108 2HG GLU 16 1HG GLU 16 2.094 8.955 -3.105
109 H LEU 17 H LEU 17 -1.591 5.853 -2.476
110 HA LEU 17 HA LEU 17 -4.181 6.609 -1.509
111 1HB LEU 17 2HB LEU 17 -3.646 4.582 -2.894
112 2HB LEU 17 1HB LEU 17 -2.860 3.899 -1.482
113 HG LEU 17 HG LEU 17 -5.239 4.423 -0.393
114 1HD1 LEU 17 1HD1 LEU 17 -6.835 3.562 -2.324
115 2HD1 LEU 17 2HD1 LEU 17 -5.657 4.399 -3.333
116 3HD1 LEU 17 3HD1 LEU 17 -6.521 5.279 -2.074
117 1HD2 LEU 17 1HD2 LEU 17 -5.303 2.200 -0.220
118 2HD2 LEU 17 2HD2 LEU 17 -3.825 2.195 -1.185
119 3HD2 LEU 17 3HD2 LEU 17 -5.389 1.991 -1.969
120 H SER 18 H SER 18 -4.715 6.984 0.542
121 HA SER 18 HA SER 18 -2.840 6.393 2.691
122 1HB SER 18 2HB SER 18 -3.810 8.566 2.814
123 2HB SER 18 1HB SER 18 -5.438 7.927 2.595
124 HG SER 18 HG SER 18 -5.531 7.750 4.673
125 H PHE 19 H PHE 19 -3.512 5.377 4.623
126 HA PHE 19 HA PHE 19 -5.840 3.701 4.689
127 1HB PHE 19 2HB PHE 19 -4.677 1.560 4.669
128 2HB PHE 19 1HB PHE 19 -4.362 2.415 3.166
129 HD1 PHE 19 1HD PHE 19 -2.171 3.733 3.015
130 HD2 PHE 19 2HD PHE 19 -2.939 0.771 5.970
131 HE1 PHE 19 1HE PHE 19 0.245 3.510 3.412
132 HE2 PHE 19 2HE PHE 19 -0.523 0.540 6.373
133 HZ PHE 19 HZ PHE 19 1.072 1.912 5.094
134 H ARG 20 H ARG 20 -5.564 2.017 6.550
135 HA ARG 20 HA ARG 20 -4.411 3.478 8.830
136 1HB ARG 20 2HB ARG 20 -7.018 2.284 8.362
137 2HB ARG 20 1HB ARG 20 -6.274 1.642 9.817
138 1HG ARG 20 2HG ARG 20 -5.867 4.083 10.463
139 2HG ARG 20 1HG ARG 20 -7.022 4.474 9.188
140 1HD ARG 20 2HD ARG 20 -7.827 2.364 11.092
141 2HD ARG 20 1HD ARG 20 -7.725 3.998 11.741
142 HE ARG 20 HE ARG 20 -9.509 3.100 9.585
143 1HH1 ARG 20 1HH1 ARG 20 -8.563 5.537 11.906
144 2HH1 ARG 20 2HH1 ARG 20 -10.014 6.458 11.713
145 1HH2 ARG 20 1HH2 ARG 20 -11.420 4.315 9.342
146 2HH2 ARG 20 2HH2 ARG 20 -11.633 5.767 10.262
147 H LYS 21 H LYS 21 -3.716 2.021 10.691
148 HA LYS 21 HA LYS 21 -1.960 0.001 9.783
149 1HB LYS 21 2HB LYS 21 -2.196 1.371 12.097
150 2HB LYS 21 1HB LYS 21 -2.982 -0.127 12.574
151 1HG LYS 21 2HG LYS 21 -1.000 -1.386 12.020
152 2HG LYS 21 1HG LYS 21 -0.222 0.071 11.402
153 1HD LYS 21 2HD LYS 21 -0.514 1.063 13.699
154 2HD LYS 21 1HD LYS 21 -0.978 -0.550 14.242
155 1HE LYS 21 2HE LYS 21 1.519 -0.384 12.687
156 2HE LYS 21 1HE LYS 21 1.553 0.382 14.275
157 1HZ LYS 21 1HZ LYS 21 1.893 -2.280 13.748
158 2HZ LYS 21 2HZ LYS 21 0.319 -2.188 14.358
159 3HZ LYS 21 3HZ LYS 21 1.612 -1.588 15.266
160 H THR 22 H THR 22 -2.211 -2.204 9.700
161 HA THR 22 HA THR 22 -3.108 -4.259 9.876
162 HB THR 22 HB THR 22 -5.667 -3.361 11.078
163 HG1 THR 22 1HG THR 22 -3.208 -2.707 12.094
164 1HG2 THR 22 1HG2 THR 22 -3.916 -5.720 11.178
165 2HG2 THR 22 2HG2 THR 22 -5.673 -5.596 11.261
166 3HG2 THR 22 3HG2 THR 22 -4.697 -5.266 12.693
167 H GLN 23 H GLN 23 -4.471 -1.829 7.981
168 HA GLN 23 HA GLN 23 -6.583 -3.601 7.062
169 1HB GLN 23 2HB GLN 23 -7.307 -1.956 5.513
170 2HB GLN 23 1HB GLN 23 -6.984 -1.150 7.039
171 1HG GLN 23 2HG GLN 23 -5.167 -0.028 6.228
172 2HG GLN 23 1HG GLN 23 -4.833 -1.240 4.993
173 1HE2 GLN 23 1HE2 GLN 23 -7.502 0.933 5.886
174 2HE2 GLN 23 2HE2 GLN 23 -7.791 1.504 4.282
175 H ILE 24 H ILE 24 -6.669 -4.766 5.202
176 HA ILE 24 HA ILE 24 -4.104 -5.550 4.161
177 HB ILE 24 HB ILE 24 -5.454 -7.125 2.729
178 1HG1 ILE 24 2HG1 ILE 24 -7.868 -7.270 4.032
179 2HG1 ILE 24 1HG1 ILE 24 -7.630 -5.533 3.867
180 1HG2 ILE 24 1HG2 ILE 24 -5.831 -8.665 4.471
181 2HG2 ILE 24 2HG2 ILE 24 -6.102 -7.379 5.648
182 3HG2 ILE 24 3HG2 ILE 24 -4.486 -7.650 4.992
183 1HD1 ILE 24 1HD1 ILE 24 -8.229 -7.554 1.846
184 2HD1 ILE 24 2HD1 ILE 24 -6.982 -6.397 1.390
185 3HD1 ILE 24 3HD1 ILE 24 -8.574 -5.824 1.870
186 H LEU 25 H LEU 25 -3.111 -4.745 2.475
187 HA LEU 25 HA LEU 25 -4.624 -3.062 0.603
188 1HB LEU 25 2HB LEU 25 -2.610 -1.874 0.163
189 2HB LEU 25 1HB LEU 25 -2.809 -1.999 1.903
190 HG LEU 25 HG LEU 25 -1.171 -4.125 0.670
191 1HD1 LEU 25 1HD1 LEU 25 -0.215 -2.462 -0.651
192 2HD1 LEU 25 2HD1 LEU 25 0.819 -2.494 0.774
193 3HD1 LEU 25 3HD1 LEU 25 -0.395 -1.230 0.596
194 1HD2 LEU 25 1HD2 LEU 25 0.095 -3.841 2.677
195 2HD2 LEU 25 2HD2 LEU 25 -1.607 -3.838 3.103
196 3HD2 LEU 25 3HD2 LEU 25 -0.718 -2.324 3.017
197 H LYS 26 H LYS 26 -4.391 -3.236 -1.596
198 HA LYS 26 HA LYS 26 -3.586 -5.817 -2.694
199 1HB LYS 26 2HB LYS 26 -5.355 -3.626 -3.356
200 2HB LYS 26 1HB LYS 26 -4.324 -4.003 -4.727
201 1HG LYS 26 2HG LYS 26 -5.911 -6.078 -3.244
202 2HG LYS 26 1HG LYS 26 -6.528 -5.197 -4.644
203 1HD LYS 26 2HD LYS 26 -5.597 -6.796 -5.893
204 2HD LYS 26 1HD LYS 26 -4.044 -6.072 -5.477
205 1HE LYS 26 2HE LYS 26 -3.467 -7.810 -4.202
206 2HE LYS 26 1HE LYS 26 -5.036 -7.838 -3.400
207 1HZ LYS 26 1HZ LYS 26 -4.503 -8.988 -6.080
208 2HZ LYS 26 2HZ LYS 26 -5.947 -9.092 -5.206
209 3HZ LYS 26 3HZ LYS 26 -4.560 -9.880 -4.644
210 H ILE 27 H ILE 27 -1.725 -6.142 -3.900
211 HA ILE 27 HA ILE 27 -0.023 -3.778 -4.398
212 HB ILE 27 HB ILE 27 1.895 -5.352 -4.335
213 1HG1 ILE 27 2HG1 ILE 27 -0.104 -7.302 -3.170
214 2HG1 ILE 27 1HG1 ILE 27 0.486 -7.386 -4.827
215 1HG2 ILE 27 1HG2 ILE 27 1.099 -3.964 -2.403
216 2HG2 ILE 27 2HG2 ILE 27 2.029 -5.395 -1.958
217 3HG2 ILE 27 3HG2 ILE 27 0.273 -5.399 -1.800
218 1HD1 ILE 27 1HD1 ILE 27 2.042 -7.764 -2.289
219 2HD1 ILE 27 2HD1 ILE 27 2.804 -7.558 -3.866
220 3HD1 ILE 27 3HD1 ILE 27 1.742 -8.934 -3.573
221 H LEU 28 H LEU 28 0.791 -3.438 -6.528
222 HA LEU 28 HA LEU 28 0.262 -5.627 -8.412
223 1HB LEU 28 2HB LEU 28 -0.528 -2.807 -9.028
224 2HB LEU 28 1HB LEU 28 -0.919 -4.259 -9.925
225 HG LEU 28 HG LEU 28 -1.935 -4.331 -7.190
226 1HD1 LEU 28 1HD1 LEU 28 -3.672 -2.672 -7.502
227 2HD1 LEU 28 2HD1 LEU 28 -2.972 -2.198 -9.047
228 3HD1 LEU 28 3HD1 LEU 28 -2.082 -1.916 -7.551
229 1HD2 LEU 28 1HD2 LEU 28 -2.655 -5.167 -9.869
230 2HD2 LEU 28 2HD2 LEU 28 -4.025 -4.464 -9.007
231 3HD2 LEU 28 3HD2 LEU 28 -3.147 -5.827 -8.310
232 H ASN 29 H ASN 29 2.249 -2.665 -7.856
233 HA ASN 29 HA ASN 29 3.944 -3.738 -9.954
234 1HB ASN 29 2HB ASN 29 3.969 -1.920 -11.417
235 2HB ASN 29 1HB ASN 29 2.287 -2.337 -11.139
236 1HD2 ASN 29 1HD2 ASN 29 4.826 -0.067 -10.325
237 2HD2 ASN 29 2HD2 ASN 29 3.789 1.256 -9.956
238 H MET 30 H MET 30 5.872 -3.674 -9.555
239 HA MET 30 HA MET 30 7.068 -1.520 -8.022
240 1HB MET 30 2HB MET 30 8.587 -4.039 -8.524
241 2HB MET 30 1HB MET 30 8.730 -2.881 -7.209
242 1HG MET 30 2HG MET 30 7.842 -4.706 -6.145
243 2HG MET 30 1HG MET 30 6.401 -3.758 -6.509
244 1HE MET 30 1HE MET 30 8.452 -6.804 -6.965
245 2HE MET 30 2HE MET 30 7.368 -7.952 -7.747
246 3HE MET 30 3HE MET 30 6.989 -7.336 -6.138
247 H GLU 31 H GLU 31 8.358 -0.334 -9.123
248 HA GLU 31 HA GLU 31 9.633 -1.106 -11.649
249 1HB GLU 31 2HB GLU 31 8.448 0.998 -12.647
250 2HB GLU 31 1HB GLU 31 7.701 -0.588 -12.743
251 1HG GLU 31 2HG GLU 31 6.382 -0.007 -10.719
252 2HG GLU 31 1HG GLU 31 7.035 1.624 -10.823
253 H ASP 32 H ASP 32 8.395 1.678 -9.885
254 HA ASP 32 HA ASP 32 10.511 3.335 -10.655
255 1HB ASP 32 2HB ASP 32 8.096 3.880 -9.746
256 2HB ASP 32 1HB ASP 32 8.906 3.847 -8.181
257 H ASP 33 H ASP 33 9.841 1.531 -7.531
258 HA ASP 33 HA ASP 33 12.671 1.436 -7.118
259 1HB ASP 33 2HB ASP 33 11.260 3.822 -6.428
260 2HB ASP 33 1HB ASP 33 11.838 3.061 -4.948
261 H SER 34 H SER 34 13.280 0.401 -5.278
262 HA SER 34 HA SER 34 11.584 -1.618 -4.162
263 1HB SER 34 2HB SER 34 13.588 -1.928 -2.656
264 2HB SER 34 1HB SER 34 13.896 -2.082 -4.386
265 HG SER 34 HG SER 34 14.307 0.308 -2.918
266 H ASN 35 H ASN 35 10.598 1.272 -3.649
267 HA ASN 35 HA ASN 35 10.564 1.025 -0.710
268 1HB ASN 35 2HB ASN 35 12.298 2.668 -1.955
269 2HB ASN 35 1HB ASN 35 10.906 3.735 -1.827
270 1HD2 ASN 35 1HD2 ASN 35 9.812 3.291 0.501
271 2HD2 ASN 35 2HD2 ASN 35 10.923 3.532 1.803
272 H TRP 36 H TRP 36 9.072 2.301 -3.609
273 HA TRP 36 HA TRP 36 6.693 2.925 -2.002
274 1HB TRP 36 2HB TRP 36 7.820 4.454 -4.353
275 2HB TRP 36 1HB TRP 36 6.227 4.746 -3.654
276 HD1 TRP 36 HD TRP 36 9.816 5.657 -3.223
277 HE1 TRP 36 1HE TRP 36 10.137 7.025 -1.064
278 HE3 TRP 36 3HE TRP 36 5.221 4.929 -1.106
279 HZ2 TRP 36 2HZ TRP 36 8.639 7.697 1.234
280 HZ3 TRP 36 3HZ TRP 36 4.744 5.962 1.080
281 HH2 TRP 36 HH TRP 36 6.421 7.321 2.219
282 H TYR 37 H TYR 37 5.103 1.641 -2.432
283 HA TYR 37 HA TYR 37 5.090 0.195 -4.973
284 1HB TYR 37 2HB TYR 37 4.046 -0.408 -2.233
285 2HB TYR 37 1HB TYR 37 3.347 -1.216 -3.628
286 HD1 TYR 37 1HD TYR 37 4.659 -2.645 -1.392
287 HD2 TYR 37 2HD TYR 37 6.300 -1.120 -5.012
288 HE1 TYR 37 1HE TYR 37 6.437 -4.334 -1.292
289 HE2 TYR 37 2HE TYR 37 8.084 -2.806 -4.918
290 HH TYR 37 HH TYR 37 8.223 -5.203 -2.297
291 H ARG 38 H ARG 38 3.118 -0.266 -6.056
292 HA ARG 38 HA ARG 38 1.179 1.922 -5.780
293 1HB ARG 38 2HB ARG 38 2.209 0.355 -8.092
294 2HB ARG 38 1HB ARG 38 0.510 0.815 -8.143
295 1HG ARG 38 2HG ARG 38 2.507 2.896 -7.465
296 2HG ARG 38 1HG ARG 38 2.393 2.360 -9.139
297 1HD ARG 38 2HD ARG 38 -0.243 2.720 -8.361
298 2HD ARG 38 1HD ARG 38 0.616 4.066 -7.607
299 HE ARG 38 HE ARG 38 1.286 3.639 -10.366
300 1HH1 ARG 38 1HH1 ARG 38 -0.891 5.254 -8.175
301 2HH1 ARG 38 2HH1 ARG 38 -1.321 6.486 -9.311
302 1HH2 ARG 38 1HH2 ARG 38 0.731 5.253 -11.857
303 2HH2 ARG 38 2HH2 ARG 38 -0.398 6.488 -11.404
304 H ALA 39 H ALA 39 -0.398 1.282 -4.487
305 HA ALA 39 HA ALA 39 -1.347 -1.491 -4.718
306 1HB ALA 39 1HB ALA 39 -1.079 0.374 -2.413
307 2HB ALA 39 2HB ALA 39 -0.628 -1.326 -2.532
308 3HB ALA 39 3HB ALA 39 -2.322 -0.867 -2.355
309 H GLU 40 H GLU 40 -3.513 -1.961 -4.436
310 HA GLU 40 HA GLU 40 -5.305 0.172 -5.382
311 1HB GLU 40 2HB GLU 40 -4.847 -2.323 -6.472
312 2HB GLU 40 1HB GLU 40 -6.339 -2.557 -5.578
313 1HG GLU 40 2HG GLU 40 -7.427 -0.825 -6.796
314 2HG GLU 40 1HG GLU 40 -5.916 -0.338 -7.562
315 H LEU 41 H LEU 41 -7.327 0.470 -4.391
316 HA LEU 41 HA LEU 41 -8.049 -1.185 -2.126
317 1HB LEU 41 2HB LEU 41 -6.249 0.627 -1.558
318 2HB LEU 41 1HB LEU 41 -7.632 1.702 -1.530
319 HG LEU 41 HG LEU 41 -8.572 -0.209 0.081
320 1HD1 LEU 41 1HD1 LEU 41 -5.975 -1.084 -0.334
321 2HD1 LEU 41 2HD1 LEU 41 -7.064 -1.596 0.954
322 3HD1 LEU 41 3HD1 LEU 41 -5.916 -0.288 1.236
323 1HD2 LEU 41 1HD2 LEU 41 -7.088 1.265 1.855
324 2HD2 LEU 41 2HD2 LEU 41 -8.644 1.739 1.179
325 3HD2 LEU 41 3HD2 LEU 41 -7.148 2.314 0.441
326 H ASP 42 H ASP 42 -10.065 -1.518 -2.729
327 HA ASP 42 HA ASP 42 -12.303 -1.171 -2.923
328 1HB ASP 42 2HB ASP 42 -11.928 0.515 -1.086
329 2HB ASP 42 1HB ASP 42 -11.795 1.749 -2.334
330 H GLY 43 H GLY 43 -11.126 1.982 -4.085
331 1HA GLY 43 2HA GLY 43 -11.778 1.183 -6.819
332 2HA GLY 43 1HA GLY 43 -12.672 2.531 -6.136
333 H LYS 44 H LYS 44 -9.496 2.524 -4.892
334 HA LYS 44 HA LYS 44 -8.704 4.392 -7.015
335 1HB LYS 44 2HB LYS 44 -9.333 5.643 -5.046
336 2HB LYS 44 1HB LYS 44 -8.321 4.631 -4.027
337 1HG LYS 44 2HG LYS 44 -7.062 6.555 -4.266
338 2HG LYS 44 1HG LYS 44 -6.376 5.487 -5.491
339 1HD LYS 44 2HD LYS 44 -7.092 6.774 -7.193
340 2HD LYS 44 1HD LYS 44 -8.632 7.126 -6.410
341 1HE LYS 44 2HE LYS 44 -7.108 9.100 -6.758
342 2HE LYS 44 1HE LYS 44 -7.685 8.862 -5.111
343 1HZ LYS 44 1HZ LYS 44 -5.044 9.026 -6.015
344 2HZ LYS 44 2HZ LYS 44 -5.275 7.463 -5.414
345 3HZ LYS 44 3HZ LYS 44 -5.594 8.802 -4.431
346 H GLU 45 H GLU 45 -6.818 4.146 -7.915
347 HA GLU 45 HA GLU 45 -4.969 2.113 -6.886
348 1HB GLU 45 2HB GLU 45 -5.863 2.026 -9.264
349 2HB GLU 45 1HB GLU 45 -4.934 3.480 -9.582
350 1HG GLU 45 2HG GLU 45 -2.935 2.060 -8.697
351 2HG GLU 45 1HG GLU 45 -3.991 0.699 -9.086
352 H GLY 46 H GLY 46 -3.266 2.962 -5.642
353 1HA GLY 46 2HA GLY 46 -1.907 5.287 -6.722
354 2HA GLY 46 1HA GLY 46 -2.760 5.588 -5.225
355 H LEU 47 H LEU 47 -0.003 5.897 -5.744
356 HA LEU 47 HA LEU 47 1.629 3.853 -4.821
357 1HB LEU 47 2HB LEU 47 2.053 6.256 -5.873
358 2HB LEU 47 1HB LEU 47 2.321 6.666 -4.188
359 HG LEU 47 HG LEU 47 3.868 4.446 -4.417
360 1HD1 LEU 47 1HD1 LEU 47 4.014 5.878 -7.065
361 2HD1 LEU 47 2HD1 LEU 47 3.431 4.237 -6.802
362 3HD1 LEU 47 3HD1 LEU 47 5.122 4.626 -6.504
363 1HD2 LEU 47 1HD2 LEU 47 4.882 6.218 -3.405
364 2HD2 LEU 47 2HD2 LEU 47 4.344 7.367 -4.631
365 3HD2 LEU 47 3HD2 LEU 47 5.693 6.282 -4.972
366 H ILE 48 H ILE 48 2.569 3.499 -2.755
367 HA ILE 48 HA ILE 48 1.565 5.031 -0.492
368 HB ILE 48 HB ILE 48 0.817 3.064 0.758
369 1HG1 ILE 48 2HG1 ILE 48 2.228 1.415 -0.486
370 2HG1 ILE 48 1HG1 ILE 48 0.569 0.904 -0.211
371 1HG2 ILE 48 1HG2 ILE 48 -0.888 4.280 -0.275
372 2HG2 ILE 48 2HG2 ILE 48 -1.247 2.582 -0.572
373 3HG2 ILE 48 3HG2 ILE 48 -0.555 3.577 -1.852
374 1HD1 ILE 48 1HD1 ILE 48 0.139 0.774 -2.376
375 2HD1 ILE 48 2HD1 ILE 48 1.881 0.772 -2.576
376 3HD1 ILE 48 3HD1 ILE 48 0.968 2.269 -2.753
377 HA PRO 49 HA PRO 49 5.412 4.040 1.467
378 1HB PRO 49 2HB PRO 49 4.726 3.282 3.984
379 2HB PRO 49 1HB PRO 49 4.705 4.960 3.431
380 1HG PRO 49 2HG PRO 49 2.440 3.023 3.691
381 2HG PRO 49 1HG PRO 49 2.505 4.736 4.127
382 1HD PRO 49 2HD PRO 49 1.347 3.865 1.857
383 2HD PRO 49 1HD PRO 49 2.161 5.433 1.958
384 H SER 50 H SER 50 6.606 2.225 0.992
385 HA SER 50 HA SER 50 5.363 -0.390 1.000
386 1HB SER 50 2HB SER 50 7.992 0.722 0.148
387 2HB SER 50 1HB SER 50 7.947 -0.980 0.586
388 HG SER 50 HG SER 50 5.937 -0.835 -0.904
389 H ASN 51 H ASN 51 7.603 1.370 3.048
390 HA ASN 51 HA ASN 51 8.361 -0.846 4.628
391 1HB ASN 51 2HB ASN 51 8.400 2.097 5.314
392 2HB ASN 51 1HB ASN 51 9.317 0.832 6.126
393 1HD2 ASN 51 1HD2 ASN 51 11.206 2.041 5.608
394 2HD2 ASN 51 2HD2 ASN 51 11.901 1.938 4.030
395 H TYR 52 H TYR 52 5.409 0.771 4.532
396 HA TYR 52 HA TYR 52 4.816 0.293 7.360
397 1HB TYR 52 2HB TYR 52 3.394 1.786 5.163
398 2HB TYR 52 1HB TYR 52 2.626 1.452 6.708
399 HD1 TYR 52 1HD TYR 52 2.367 3.743 7.365
400 HD2 TYR 52 2HD TYR 52 6.222 2.250 6.364
401 HE1 TYR 52 1HE TYR 52 3.399 5.761 8.314
402 HE2 TYR 52 2HE TYR 52 7.258 4.260 7.305
403 HH TYR 52 HH TYR 52 6.762 6.025 8.874
404 H ILE 53 H ILE 53 4.859 -1.512 4.664
405 HA ILE 53 HA ILE 53 2.886 -3.274 5.761
406 HB ILE 53 HB ILE 53 1.283 -2.938 4.253
407 1HG1 ILE 53 2HG1 ILE 53 2.484 -4.714 2.923
408 2HG1 ILE 53 1HG1 ILE 53 1.385 -3.691 2.031
409 1HG2 ILE 53 1HG2 ILE 53 3.006 -1.132 2.600
410 2HG2 ILE 53 2HG2 ILE 53 2.261 -0.636 4.119
411 3HG2 ILE 53 3HG2 ILE 53 1.249 -1.122 2.761
412 1HD1 ILE 53 1HD1 ILE 53 3.966 -2.528 1.944
413 2HD1 ILE 53 2HD1 ILE 53 2.962 -3.146 0.630
414 3HD1 ILE 53 3HD1 ILE 53 4.066 -4.228 1.482
415 H GLU 54 H GLU 54 2.953 -5.455 4.600
416 HA GLU 54 HA GLU 54 5.470 -6.073 3.217
417 1HB GLU 54 2HB GLU 54 5.701 -8.082 4.704
418 2HB GLU 54 1HB GLU 54 6.069 -6.538 5.460
419 1HG GLU 54 2HG GLU 54 4.310 -6.648 6.862
420 2HG GLU 54 1HG GLU 54 3.296 -7.510 5.712
421 H MET 55 H MET 55 5.398 -8.254 2.235
422 HA MET 55 HA MET 55 3.041 -8.716 0.805
423 1HB MET 55 2HB MET 55 4.135 -10.900 0.203
424 2HB MET 55 1HB MET 55 5.086 -9.453 -0.115
425 1HG MET 55 2HG MET 55 5.709 -10.300 2.503
426 2HG MET 55 1HG MET 55 5.743 -11.727 1.469
427 1HE MET 55 1HE MET 55 7.117 -12.270 -0.184
428 2HE MET 55 2HE MET 55 8.719 -11.609 -0.512
429 3HE MET 55 3HE MET 55 7.310 -10.973 -1.363
430 H LYS 56 H LYS 56 1.265 -9.782 1.113
431 HA LYS 56 HA LYS 56 0.876 -11.353 3.554
432 1HB LYS 56 2HB LYS 56 -0.826 -9.582 2.121
433 2HB LYS 56 1HB LYS 56 -1.484 -11.193 1.905
434 1HG LYS 56 2HG LYS 56 -0.770 -10.083 4.602
435 2HG LYS 56 1HG LYS 56 -2.354 -9.855 3.860
436 1HD LYS 56 2HD LYS 56 -1.630 -12.612 3.680
437 2HD LYS 56 1HD LYS 56 -1.414 -12.072 5.345
438 1HE LYS 56 2HE LYS 56 -3.916 -11.575 3.745
439 2HE LYS 56 1HE LYS 56 -3.694 -12.979 4.788
440 1HZ LYS 56 1HZ LYS 56 -4.796 -10.736 5.629
441 2HZ LYS 56 2HZ LYS 56 -3.182 -10.365 5.972
442 3HZ LYS 56 3HZ LYS 56 -3.895 -11.741 6.651
443 H ASN 57 H ASN 57 2.117 -11.830 0.707
444 HA ASN 57 HA ASN 57 0.705 -14.346 0.120
445 1HB ASN 57 2HB ASN 57 1.823 -14.158 -2.144
446 2HB ASN 57 1HB ASN 57 0.600 -12.938 -1.796
447 1HD2 ASN 57 1HD2 ASN 57 1.173 -10.823 -1.696
448 2HD2 ASN 57 2HD2 ASN 57 2.767 -10.239 -2.016
449 H HIS 58 H HIS 58 2.304 -14.749 2.168
450 HA HIS 58 HA HIS 58 5.037 -15.288 1.543
451 1HB HIS 58 2HB HIS 58 3.478 -16.723 3.688
452 2HB HIS 58 1HB HIS 58 5.194 -16.341 3.652
453 HD1 HIS 58 1HD HIS 58 1.900 -14.427 3.817
454 HD2 HIS 58 2HD HIS 58 5.823 -14.202 5.165
455 HE1 HIS 58 1HE HIS 58 1.989 -12.391 5.282
456 HE2 HIS 58 2HE HIS 58 4.378 -12.258 6.069
457 H ASP 59 H ASP 59 2.315 -17.536 2.147
458 HA ASP 59 HA ASP 59 3.325 -19.250 0.002
459 1HB ASP 59 2HB ASP 59 4.118 -19.969 2.397
460 2HB ASP 59 1HB ASP 59 2.466 -20.559 2.559
Start of MODEL 8
1 1H MET 1 1HT MET 1 -2.132 -11.569 -6.346
2 2H MET 1 2HT MET 1 -1.965 -10.064 -7.152
3 3H MET 1 3HT MET 1 -3.092 -10.232 -5.869
4 HA MET 1 HA MET 1 -0.631 -11.022 -4.897
5 1HB MET 1 2HB MET 1 -0.372 -9.091 -6.982
6 2HB MET 1 1HB MET 1 0.006 -8.319 -5.451
7 1HG MET 1 2HG MET 1 2.042 -9.152 -5.686
8 2HG MET 1 1HG MET 1 1.339 -10.719 -5.292
9 1HE MET 1 1HE MET 1 3.562 -12.052 -7.984
10 2HE MET 1 2HE MET 1 2.288 -12.748 -6.981
11 3HE MET 1 3HE MET 1 3.428 -11.596 -6.286
12 H GLU 2 H GLU 2 -0.655 -10.554 -2.810
13 HA GLU 2 HA GLU 2 -2.244 -8.248 -1.941
14 1HB GLU 2 2HB GLU 2 -3.044 -9.718 0.012
15 2HB GLU 2 1HB GLU 2 -3.825 -9.886 -1.554
16 1HG GLU 2 2HG GLU 2 -2.556 -11.894 -2.009
17 2HG GLU 2 1HG GLU 2 -1.671 -11.706 -0.496
18 H ALA 3 H ALA 3 -1.570 -7.227 -0.134
19 HA ALA 3 HA ALA 3 0.699 -8.139 1.398
20 1HB ALA 3 1HB ALA 3 1.003 -5.359 0.858
21 2HB ALA 3 2HB ALA 3 0.887 -6.256 -0.649
22 3HB ALA 3 3HB ALA 3 2.123 -6.682 0.523
23 H ILE 4 H ILE 4 0.664 -7.326 3.557
24 HA ILE 4 HA ILE 4 -1.737 -5.743 4.190
25 HB ILE 4 HB ILE 4 -1.524 -8.001 5.282
26 1HG1 ILE 4 2HG1 ILE 4 -1.459 -6.043 7.505
27 2HG1 ILE 4 1HG1 ILE 4 -2.604 -5.732 6.208
28 1HG2 ILE 4 1HG2 ILE 4 0.925 -6.723 6.395
29 2HG2 ILE 4 2HG2 ILE 4 0.664 -8.376 5.839
30 3HG2 ILE 4 3HG2 ILE 4 0.013 -7.856 7.392
31 1HD1 ILE 4 1HD1 ILE 4 -2.625 -8.487 7.175
32 2HD1 ILE 4 2HD1 ILE 4 -3.960 -7.381 6.846
33 3HD1 ILE 4 3HD1 ILE 4 -3.088 -7.282 8.377
34 H ALA 5 H ALA 5 -1.482 -4.015 5.850
35 HA ALA 5 HA ALA 5 1.289 -3.078 6.006
36 1HB ALA 5 1HB ALA 5 -1.050 -1.713 4.812
37 2HB ALA 5 2HB ALA 5 0.611 -1.718 4.277
38 3HB ALA 5 3HB ALA 5 0.133 -0.711 5.636
39 H LYS 6 H LYS 6 1.681 -3.140 8.291
40 HA LYS 6 HA LYS 6 -0.474 -1.844 9.852
41 1HB LYS 6 2HB LYS 6 0.028 -4.087 10.647
42 2HB LYS 6 1HB LYS 6 1.741 -3.707 10.720
43 1HG LYS 6 2HG LYS 6 1.542 -2.529 12.666
44 2HG LYS 6 1HG LYS 6 -0.125 -2.071 12.335
45 1HD LYS 6 2HD LYS 6 -0.962 -3.876 13.343
46 2HD LYS 6 1HD LYS 6 0.266 -4.943 12.658
47 1HE LYS 6 2HE LYS 6 1.880 -3.982 14.329
48 2HE LYS 6 1HE LYS 6 0.505 -3.175 15.085
49 1HZ LYS 6 1HZ LYS 6 1.043 -5.279 16.164
50 2HZ LYS 6 2HZ LYS 6 0.775 -6.109 14.715
51 3HZ LYS 6 3HZ LYS 6 -0.506 -5.318 15.485
52 H HIS 7 H HIS 7 0.057 0.210 9.459
53 HA HIS 7 HA HIS 7 1.550 1.388 11.328
54 1HB HIS 7 2HB HIS 7 2.982 1.019 8.771
55 2HB HIS 7 1HB HIS 7 2.982 2.672 9.376
56 HD1 HIS 7 1HD HIS 7 3.010 1.668 12.430
57 HD2 HIS 7 2HD HIS 7 5.700 0.667 9.431
58 HE1 HIS 7 1HE HIS 7 5.088 0.938 13.616
59 HE2 HIS 7 2HE HIS 7 6.683 0.263 11.789
60 H ASP 8 H ASP 8 0.211 3.355 11.591
61 HA ASP 8 HA ASP 8 -1.835 3.738 9.674
62 1HB ASP 8 2HB ASP 8 -1.164 4.962 12.154
63 2HB ASP 8 1HB ASP 8 -1.278 6.253 10.963
64 H PHE 9 H PHE 9 -2.026 5.595 8.123
65 HA PHE 9 HA PHE 9 0.265 7.203 7.640
66 1HB PHE 9 2HB PHE 9 0.903 4.915 6.633
67 2HB PHE 9 1HB PHE 9 -0.227 5.331 5.352
68 HD1 PHE 9 1HD PHE 9 0.172 7.510 4.071
69 HD2 PHE 9 2HD PHE 9 3.066 5.764 6.627
70 HE1 PHE 9 1HE PHE 9 1.945 8.818 2.972
71 HE2 PHE 9 2HE PHE 9 4.843 7.059 5.543
72 HZ PHE 9 HZ PHE 9 4.281 8.594 3.706
73 H SER 10 H SER 10 0.105 8.744 6.237
74 HA SER 10 HA SER 10 -2.357 8.979 4.701
75 1HB SER 10 2HB SER 10 -1.332 11.499 5.935
76 2HB SER 10 1HB SER 10 -2.978 11.057 5.488
77 HG SER 10 HG SER 10 -2.719 11.093 7.748
78 H ALA 11 H ALA 11 -1.416 8.656 2.812
79 HA ALA 11 HA ALA 11 0.776 8.861 1.485
80 1HB ALA 11 1HB ALA 11 -0.898 8.672 0.025
81 2HB ALA 11 2HB ALA 11 -0.643 10.404 -0.203
82 3HB ALA 11 3HB ALA 11 -1.916 9.830 0.872
83 H THR 12 H THR 12 2.251 10.063 0.614
84 HA THR 12 HA THR 12 2.529 12.807 1.586
85 HB THR 12 HB THR 12 4.427 10.555 1.124
86 HG1 THR 12 1HG THR 12 4.079 11.208 3.186
87 1HG2 THR 12 1HG2 THR 12 5.539 11.894 -0.442
88 2HG2 THR 12 2HG2 THR 12 6.352 12.235 1.087
89 3HG2 THR 12 3HG2 THR 12 5.188 13.386 0.433
90 H ALA 13 H ALA 13 1.810 10.997 -1.145
91 HA ALA 13 HA ALA 13 2.240 13.322 -2.904
92 1HB ALA 13 1HB ALA 13 3.426 10.763 -3.188
93 2HB ALA 13 2HB ALA 13 3.455 12.100 -4.335
94 3HB ALA 13 3HB ALA 13 2.174 10.891 -4.423
95 H ASP 14 H ASP 14 0.495 13.534 -4.539
96 HA ASP 14 HA ASP 14 -2.063 13.052 -3.532
97 1HB ASP 14 2HB ASP 14 -2.862 13.666 -5.802
98 2HB ASP 14 1HB ASP 14 -1.706 14.814 -5.135
99 H ASP 15 H ASP 15 -0.137 11.254 -5.852
100 HA ASP 15 HA ASP 15 -2.280 9.355 -6.350
101 1HB ASP 15 2HB ASP 15 -0.186 10.210 -7.891
102 2HB ASP 15 1HB ASP 15 0.449 8.694 -7.262
103 H GLU 16 H GLU 16 -1.143 9.709 -3.611
104 HA GLU 16 HA GLU 16 -0.077 7.004 -3.225
105 1HB GLU 16 2HB GLU 16 0.363 9.533 -1.656
106 2HB GLU 16 1HB GLU 16 0.747 7.945 -1.015
107 1HG GLU 16 2HG GLU 16 1.915 8.091 -3.559
108 2HG GLU 16 1HG GLU 16 2.254 9.609 -2.755
109 H LEU 17 H LEU 17 -1.466 5.660 -2.454
110 HA LEU 17 HA LEU 17 -4.013 6.449 -1.406
111 1HB LEU 17 2HB LEU 17 -3.285 4.369 -2.803
112 2HB LEU 17 1HB LEU 17 -2.887 3.685 -1.239
113 HG LEU 17 HG LEU 17 -5.534 4.820 -1.175
114 1HD1 LEU 17 1HD1 LEU 17 -5.219 2.604 -3.175
115 2HD1 LEU 17 2HD1 LEU 17 -5.319 4.299 -3.645
116 3HD1 LEU 17 3HD1 LEU 17 -6.663 3.540 -2.793
117 1HD2 LEU 17 1HD2 LEU 17 -5.596 3.196 0.323
118 2HD2 LEU 17 2HD2 LEU 17 -4.076 2.527 -0.270
119 3HD2 LEU 17 3HD2 LEU 17 -5.602 2.021 -0.992
120 H SER 18 H SER 18 -4.519 6.779 0.669
121 HA SER 18 HA SER 18 -2.625 6.144 2.797
122 1HB SER 18 2HB SER 18 -3.553 8.311 3.025
123 2HB SER 18 1HB SER 18 -5.184 7.741 2.680
124 HG SER 18 HG SER 18 -4.739 6.454 4.755
125 H PHE 19 H PHE 19 -3.463 5.222 4.837
126 HA PHE 19 HA PHE 19 -5.791 3.608 4.877
127 1HB PHE 19 2HB PHE 19 -4.612 1.395 4.976
128 2HB PHE 19 1HB PHE 19 -4.606 2.153 3.387
129 HD1 PHE 19 1HD PHE 19 -2.653 2.037 2.225
130 HD2 PHE 19 2HD PHE 19 -2.498 2.178 6.473
131 HE1 PHE 19 1HE PHE 19 -0.210 1.857 2.144
132 HE2 PHE 19 2HE PHE 19 -0.048 2.011 6.396
133 HZ PHE 19 HZ PHE 19 1.103 1.848 4.225
134 H ARG 20 H ARG 20 -5.501 1.835 6.711
135 HA ARG 20 HA ARG 20 -4.298 3.250 8.995
136 1HB ARG 20 2HB ARG 20 -6.037 1.921 10.338
137 2HB ARG 20 1HB ARG 20 -6.611 3.273 9.376
138 1HG ARG 20 2HG ARG 20 -6.627 0.617 8.080
139 2HG ARG 20 1HG ARG 20 -7.794 0.891 9.376
140 1HD ARG 20 2HD ARG 20 -7.776 3.183 7.693
141 2HD ARG 20 1HD ARG 20 -7.898 1.756 6.675
142 HE ARG 20 HE ARG 20 -9.984 1.297 7.579
143 1HH1 ARG 20 1HH1 ARG 20 -8.502 3.985 9.245
144 2HH1 ARG 20 2HH1 ARG 20 -9.972 4.479 10.014
145 1HH2 ARG 20 1HH2 ARG 20 -11.921 1.952 8.589
146 2HH2 ARG 20 2HH2 ARG 20 -11.910 3.325 9.647
147 H LYS 21 H LYS 21 -3.657 1.714 10.852
148 HA LYS 21 HA LYS 21 -1.850 -0.235 9.918
149 1HB LYS 21 2HB LYS 21 -2.819 0.756 12.491
150 2HB LYS 21 1HB LYS 21 -2.507 -0.974 12.532
151 1HG LYS 21 2HG LYS 21 -0.270 -0.705 12.299
152 2HG LYS 21 1HG LYS 21 -0.437 0.752 11.335
153 1HD LYS 21 2HD LYS 21 0.098 1.907 13.151
154 2HD LYS 21 1HD LYS 21 -1.462 1.430 13.823
155 1HE LYS 21 2HE LYS 21 -0.552 -0.224 15.122
156 2HE LYS 21 1HE LYS 21 0.820 -0.469 14.039
157 1HZ LYS 21 1HZ LYS 21 0.874 0.905 16.379
158 2HZ LYS 21 2HZ LYS 21 0.778 2.140 15.231
159 3HZ LYS 21 3HZ LYS 21 2.033 1.012 15.151
160 H THR 22 H THR 22 -2.074 -2.440 9.631
161 HA THR 22 HA THR 22 -2.934 -4.507 9.656
162 HB THR 22 HB THR 22 -4.194 -3.438 11.803
163 HG1 THR 22 1HG THR 22 -4.257 -5.465 12.364
164 1HG2 THR 22 1HG2 THR 22 -6.275 -2.859 10.817
165 2HG2 THR 22 2HG2 THR 22 -6.520 -4.341 11.733
166 3HG2 THR 22 3HG2 THR 22 -6.382 -4.408 9.979
167 H GLN 23 H GLN 23 -4.058 -2.020 7.778
168 HA GLN 23 HA GLN 23 -6.273 -3.482 6.661
169 1HB GLN 23 2HB GLN 23 -5.262 -0.808 6.319
170 2HB GLN 23 1HB GLN 23 -5.518 -1.568 4.752
171 1HG GLN 23 2HG GLN 23 -7.796 -2.238 6.118
172 2HG GLN 23 1HG GLN 23 -7.448 -0.615 6.713
173 1HE2 GLN 23 1HE2 GLN 23 -8.361 0.941 5.584
174 2HE2 GLN 23 2HE2 GLN 23 -8.760 0.899 3.907
175 H ILE 24 H ILE 24 -6.356 -3.916 4.264
176 HA ILE 24 HA ILE 24 -3.864 -5.283 3.476
177 HB ILE 24 HB ILE 24 -5.701 -6.353 1.795
178 1HG1 ILE 24 2HG1 ILE 24 -7.528 -5.107 3.020
179 2HG1 ILE 24 1HG1 ILE 24 -7.751 -6.846 2.898
180 1HG2 ILE 24 1HG2 ILE 24 -5.469 -7.642 4.455
181 2HG2 ILE 24 2HG2 ILE 24 -3.993 -7.314 3.551
182 3HG2 ILE 24 3HG2 ILE 24 -5.257 -8.315 2.840
183 1HD1 ILE 24 1HD1 ILE 24 -7.345 -7.185 5.150
184 2HD1 ILE 24 2HD1 ILE 24 -8.264 -5.680 5.125
185 3HD1 ILE 24 3HD1 ILE 24 -6.515 -5.642 5.340
186 H LEU 25 H LEU 25 -2.790 -4.563 1.730
187 HA LEU 25 HA LEU 25 -4.247 -2.733 -0.049
188 1HB LEU 25 2HB LEU 25 -1.258 -2.865 0.327
189 2HB LEU 25 1HB LEU 25 -2.146 -1.694 -0.629
190 HG LEU 25 HG LEU 25 -1.496 -0.607 1.376
191 1HD1 LEU 25 1HD1 LEU 25 -4.037 -0.637 0.541
192 2HD1 LEU 25 2HD1 LEU 25 -3.480 0.328 1.907
193 3HD1 LEU 25 3HD1 LEU 25 -4.264 -1.225 2.187
194 1HD2 LEU 25 1HD2 LEU 25 -2.348 -1.548 3.595
195 2HD2 LEU 25 2HD2 LEU 25 -0.934 -2.307 2.865
196 3HD2 LEU 25 3HD2 LEU 25 -2.511 -3.073 2.739
197 H LYS 26 H LYS 26 -4.183 -2.965 -2.229
198 HA LYS 26 HA LYS 26 -3.567 -5.614 -3.237
199 1HB LYS 26 2HB LYS 26 -5.582 -4.034 -3.736
200 2HB LYS 26 1HB LYS 26 -4.478 -3.262 -4.860
201 1HG LYS 26 2HG LYS 26 -5.667 -4.790 -6.150
202 2HG LYS 26 1HG LYS 26 -4.111 -5.568 -5.852
203 1HD LYS 26 2HD LYS 26 -5.216 -7.328 -5.055
204 2HD LYS 26 1HD LYS 26 -5.758 -6.320 -3.712
205 1HE LYS 26 2HE LYS 26 -7.393 -5.685 -5.920
206 2HE LYS 26 1HE LYS 26 -7.281 -7.442 -5.863
207 1HZ LYS 26 1HZ LYS 26 -9.064 -6.971 -4.495
208 2HZ LYS 26 2HZ LYS 26 -8.346 -5.593 -3.828
209 3HZ LYS 26 3HZ LYS 26 -7.800 -7.132 -3.383
210 H ILE 27 H ILE 27 -1.314 -5.783 -3.424
211 HA ILE 27 HA ILE 27 0.262 -3.678 -4.600
212 HB ILE 27 HB ILE 27 1.080 -6.549 -4.215
213 1HG1 ILE 27 2HG1 ILE 27 0.191 -5.447 -2.137
214 2HG1 ILE 27 1HG1 ILE 27 1.863 -5.991 -2.041
215 1HG2 ILE 27 1HG2 ILE 27 3.193 -5.935 -4.689
216 2HG2 ILE 27 2HG2 ILE 27 3.009 -4.335 -3.972
217 3HG2 ILE 27 3HG2 ILE 27 2.386 -4.652 -5.591
218 1HD1 ILE 27 1HD1 ILE 27 2.224 -3.972 -1.168
219 2HD1 ILE 27 2HD1 ILE 27 0.737 -3.302 -1.836
220 3HD1 ILE 27 3HD1 ILE 27 2.182 -3.416 -2.840
221 H LEU 28 H LEU 28 0.741 -3.400 -6.766
222 HA LEU 28 HA LEU 28 0.214 -5.648 -8.566
223 1HB LEU 28 2HB LEU 28 -1.004 -3.007 -9.236
224 2HB LEU 28 1HB LEU 28 -1.391 -4.595 -9.866
225 HG LEU 28 HG LEU 28 -1.987 -4.673 -7.106
226 1HD1 LEU 28 1HD1 LEU 28 -1.934 -2.075 -7.635
227 2HD1 LEU 28 2HD1 LEU 28 -3.130 -2.795 -6.559
228 3HD1 LEU 28 3HD1 LEU 28 -3.556 -2.433 -8.228
229 1HD2 LEU 28 1HD2 LEU 28 -3.783 -5.696 -7.918
230 2HD2 LEU 28 2HD2 LEU 28 -3.133 -5.390 -9.530
231 3HD2 LEU 28 3HD2 LEU 28 -4.280 -4.258 -8.811
232 H ASN 29 H ASN 29 1.966 -2.644 -8.026
233 HA ASN 29 HA ASN 29 3.439 -3.334 -10.418
234 1HB ASN 29 2HB ASN 29 1.859 -1.999 -11.498
235 2HB ASN 29 1HB ASN 29 1.805 -0.833 -10.186
236 1HD2 ASN 29 1HD2 ASN 29 2.546 1.009 -10.806
237 2HD2 ASN 29 2HD2 ASN 29 3.879 1.315 -11.851
238 H MET 30 H MET 30 5.335 -3.394 -9.987
239 HA MET 30 HA MET 30 6.652 -1.347 -8.397
240 1HB MET 30 2HB MET 30 8.542 -3.180 -8.345
241 2HB MET 30 1HB MET 30 7.256 -3.158 -7.152
242 1HG MET 30 2HG MET 30 6.311 -4.731 -9.279
243 2HG MET 30 1HG MET 30 7.978 -5.219 -9.004
244 1HE MET 30 1HE MET 30 5.293 -7.719 -7.281
245 2HE MET 30 2HE MET 30 6.869 -7.908 -8.049
246 3HE MET 30 3HE MET 30 5.590 -7.014 -8.871
247 H GLU 31 H GLU 31 7.995 -0.207 -9.428
248 HA GLU 31 HA GLU 31 9.475 -0.898 -11.839
249 1HB GLU 31 2HB GLU 31 6.825 0.408 -11.971
250 2HB GLU 31 1HB GLU 31 8.124 1.241 -12.815
251 1HG GLU 31 2HG GLU 31 8.328 -1.499 -13.459
252 2HG GLU 31 1HG GLU 31 6.635 -1.044 -13.625
253 H ASP 32 H ASP 32 7.852 1.673 -10.097
254 HA ASP 32 HA ASP 32 9.807 3.594 -10.718
255 1HB ASP 32 2HB ASP 32 7.260 3.455 -9.257
256 2HB ASP 32 1HB ASP 32 8.387 4.654 -8.627
257 H ASP 33 H ASP 33 9.113 1.689 -7.660
258 HA ASP 33 HA ASP 33 11.865 2.065 -6.986
259 1HB ASP 33 2HB ASP 33 10.227 4.223 -6.471
260 2HB ASP 33 1HB ASP 33 10.288 3.390 -4.921
261 H SER 34 H SER 34 12.534 0.817 -5.404
262 HA SER 34 HA SER 34 10.993 -1.394 -4.436
263 1HB SER 34 2HB SER 34 13.009 -1.939 -3.218
264 2HB SER 34 1HB SER 34 13.438 -1.439 -4.853
265 HG SER 34 HG SER 34 14.144 0.500 -4.076
266 H ASN 35 H ASN 35 9.909 1.375 -3.700
267 HA ASN 35 HA ASN 35 9.879 0.924 -0.780
268 1HB ASN 35 2HB ASN 35 11.329 2.946 -2.176
269 2HB ASN 35 1HB ASN 35 10.053 3.705 -1.226
270 1HD2 ASN 35 1HD2 ASN 35 12.904 3.818 -0.841
271 2HD2 ASN 35 2HD2 ASN 35 13.215 3.184 0.734
272 H TRP 36 H TRP 36 8.383 2.320 -3.603
273 HA TRP 36 HA TRP 36 5.986 2.806 -1.980
274 1HB TRP 36 2HB TRP 36 6.978 4.479 -4.301
275 2HB TRP 36 1HB TRP 36 5.458 4.722 -3.445
276 HD1 TRP 36 HD TRP 36 9.141 5.484 -3.239
277 HE1 TRP 36 1HE TRP 36 9.621 6.925 -1.164
278 HE3 TRP 36 3HE TRP 36 4.590 5.124 -0.912
279 HZ2 TRP 36 2HZ TRP 36 8.264 7.791 1.147
280 HZ3 TRP 36 3HZ TRP 36 4.280 6.296 1.227
281 HH2 TRP 36 HH TRP 36 6.073 7.599 2.234
282 H TYR 37 H TYR 37 4.540 1.346 -2.510
283 HA TYR 37 HA TYR 37 4.695 0.078 -5.128
284 1HB TYR 37 2HB TYR 37 3.479 -0.594 -2.492
285 2HB TYR 37 1HB TYR 37 2.766 -1.312 -3.930
286 HD1 TYR 37 1HD TYR 37 4.446 -2.426 -1.426
287 HD2 TYR 37 2HD TYR 37 5.246 -1.760 -5.550
288 HE1 TYR 37 1HE TYR 37 6.136 -4.211 -1.378
289 HE2 TYR 37 2HE TYR 37 6.940 -3.543 -5.508
290 HH TYR 37 HH TYR 37 7.773 -5.240 -2.518
291 H ARG 38 H ARG 38 2.943 -0.171 -6.524
292 HA ARG 38 HA ARG 38 0.958 1.962 -6.281
293 1HB ARG 38 2HB ARG 38 2.412 1.082 -8.492
294 2HB ARG 38 1HB ARG 38 0.857 0.289 -8.711
295 1HG ARG 38 2HG ARG 38 -0.289 2.403 -8.677
296 2HG ARG 38 1HG ARG 38 1.202 3.249 -8.267
297 1HD ARG 38 2HD ARG 38 2.045 2.135 -10.484
298 2HD ARG 38 1HD ARG 38 0.329 2.077 -10.864
299 HE ARG 38 HE ARG 38 1.257 4.651 -9.986
300 1HH1 ARG 38 1HH1 ARG 38 0.837 2.537 -12.734
301 2HH1 ARG 38 2HH1 ARG 38 0.864 3.828 -13.888
302 1HH2 ARG 38 1HH2 ARG 38 1.298 6.346 -11.503
303 2HH2 ARG 38 2HH2 ARG 38 1.126 5.990 -13.190
304 H ALA 39 H ALA 39 -0.491 1.206 -4.893
305 HA ALA 39 HA ALA 39 -1.469 -1.524 -5.267
306 1HB ALA 39 1HB ALA 39 -0.431 -0.946 -3.076
307 2HB ALA 39 2HB ALA 39 -2.098 -1.505 -2.943
308 3HB ALA 39 3HB ALA 39 -1.731 0.217 -2.817
309 H GLU 40 H GLU 40 -3.747 -1.836 -4.520
310 HA GLU 40 HA GLU 40 -5.435 0.346 -5.538
311 1HB GLU 40 2HB GLU 40 -5.114 -1.841 -6.968
312 2HB GLU 40 1HB GLU 40 -6.300 -2.494 -5.844
313 1HG GLU 40 2HG GLU 40 -7.637 -0.341 -6.438
314 2HG GLU 40 1HG GLU 40 -6.604 -0.327 -7.865
315 H LEU 41 H LEU 41 -7.465 0.617 -4.624
316 HA LEU 41 HA LEU 41 -8.329 -1.044 -2.425
317 1HB LEU 41 2HB LEU 41 -6.674 0.310 -1.313
318 2HB LEU 41 1HB LEU 41 -7.342 1.775 -2.009
319 HG LEU 41 HG LEU 41 -9.474 1.200 -0.718
320 1HD1 LEU 41 1HD1 LEU 41 -7.708 -0.290 1.143
321 2HD1 LEU 41 2HD1 LEU 41 -8.411 -1.148 -0.227
322 3HD1 LEU 41 3HD1 LEU 41 -9.460 -0.357 0.949
323 1HD2 LEU 41 1HD2 LEU 41 -8.465 3.056 0.130
324 2HD2 LEU 41 2HD2 LEU 41 -6.925 2.237 0.344
325 3HD2 LEU 41 3HD2 LEU 41 -8.222 1.960 1.491
326 H ASP 42 H ASP 42 -10.399 -1.185 -2.603
327 HA ASP 42 HA ASP 42 -12.529 -0.896 -3.328
328 1HB ASP 42 2HB ASP 42 -13.495 1.360 -2.484
329 2HB ASP 42 1HB ASP 42 -12.910 0.173 -1.325
330 H GLY 43 H GLY 43 -10.419 0.133 -5.298
331 1HA GLY 43 2HA GLY 43 -11.280 0.567 -7.554
332 2HA GLY 43 1HA GLY 43 -12.341 1.764 -6.840
333 H LYS 44 H LYS 44 -9.310 2.066 -5.358
334 HA LYS 44 HA LYS 44 -8.589 4.103 -7.348
335 1HB LYS 44 2HB LYS 44 -9.432 4.665 -4.863
336 2HB LYS 44 1HB LYS 44 -7.729 4.410 -4.509
337 1HG LYS 44 2HG LYS 44 -8.074 6.736 -4.871
338 2HG LYS 44 1HG LYS 44 -7.183 6.098 -6.252
339 1HD LYS 44 2HD LYS 44 -10.065 5.976 -6.630
340 2HD LYS 44 1HD LYS 44 -9.490 7.621 -6.349
341 1HE LYS 44 2HE LYS 44 -8.434 5.708 -8.428
342 2HE LYS 44 1HE LYS 44 -9.514 7.068 -8.734
343 1HZ LYS 44 1HZ LYS 44 -6.770 7.290 -7.616
344 2HZ LYS 44 2HZ LYS 44 -7.801 8.575 -7.992
345 3HZ LYS 44 3HZ LYS 44 -7.191 7.594 -9.226
346 H GLU 45 H GLU 45 -6.584 4.056 -8.154
347 HA GLU 45 HA GLU 45 -4.736 2.019 -7.141
348 1HB GLU 45 2HB GLU 45 -5.254 1.902 -9.523
349 2HB GLU 45 1HB GLU 45 -4.776 3.581 -9.734
350 1HG GLU 45 2HG GLU 45 -2.650 2.031 -8.549
351 2HG GLU 45 1HG GLU 45 -3.193 1.326 -10.071
352 H GLY 46 H GLY 46 -3.136 2.727 -5.742
353 1HA GLY 46 2HA GLY 46 -1.972 5.353 -6.347
354 2HA GLY 46 1HA GLY 46 -2.679 5.116 -4.765
355 H LEU 47 H LEU 47 -0.286 5.984 -4.703
356 HA LEU 47 HA LEU 47 1.638 3.807 -4.537
357 1HB LEU 47 2HB LEU 47 1.957 6.765 -4.097
358 2HB LEU 47 1HB LEU 47 3.264 5.608 -4.005
359 HG LEU 47 HG LEU 47 1.634 6.045 -6.498
360 1HD1 LEU 47 1HD1 LEU 47 3.032 8.050 -5.487
361 2HD1 LEU 47 2HD1 LEU 47 3.022 7.702 -7.216
362 3HD1 LEU 47 3HD1 LEU 47 4.371 7.163 -6.217
363 1HD2 LEU 47 1HD2 LEU 47 2.713 4.119 -6.960
364 2HD2 LEU 47 2HD2 LEU 47 3.938 4.385 -5.719
365 3HD2 LEU 47 3HD2 LEU 47 4.070 5.201 -7.277
366 H ILE 48 H ILE 48 2.593 3.201 -2.538
367 HA ILE 48 HA ILE 48 1.573 4.516 -0.136
368 HB ILE 48 HB ILE 48 0.913 2.387 0.891
369 1HG1 ILE 48 2HG1 ILE 48 0.933 1.104 -1.819
370 2HG1 ILE 48 1HG1 ILE 48 2.373 1.048 -0.811
371 1HG2 ILE 48 1HG2 ILE 48 -1.196 2.650 0.176
372 2HG2 ILE 48 2HG2 ILE 48 -0.767 2.335 -1.505
373 3HG2 ILE 48 3HG2 ILE 48 -0.527 3.940 -0.819
374 1HD1 ILE 48 1HD1 ILE 48 0.131 0.290 0.764
375 2HD1 ILE 48 2HD1 ILE 48 1.540 -0.666 0.303
376 3HD1 ILE 48 3HD1 ILE 48 0.116 -0.634 -0.737
377 HA PRO 49 HA PRO 49 5.593 3.963 1.642
378 1HB PRO 49 2HB PRO 49 4.707 3.266 4.207
379 2HB PRO 49 1HB PRO 49 5.076 4.890 3.626
380 1HG PRO 49 2HG PRO 49 2.449 3.527 3.895
381 2HG PRO 49 1HG PRO 49 2.863 5.232 4.082
382 1HD PRO 49 2HD PRO 49 1.581 4.318 1.911
383 2HD PRO 49 1HD PRO 49 2.736 5.659 1.824
384 H SER 50 H SER 50 6.869 2.227 1.483
385 HA SER 50 HA SER 50 5.792 -0.459 1.460
386 1HB SER 50 2HB SER 50 8.301 0.850 0.677
387 2HB SER 50 1HB SER 50 8.518 -0.749 1.379
388 HG SER 50 HG SER 50 8.181 -1.058 -0.777
389 H ASN 51 H ASN 51 7.896 1.402 3.598
390 HA ASN 51 HA ASN 51 8.551 -0.734 5.308
391 1HB ASN 51 2HB ASN 51 8.645 2.255 5.605
392 2HB ASN 51 1HB ASN 51 9.126 1.187 6.918
393 1HD2 ASN 51 1HD2 ASN 51 10.156 2.839 4.238
394 2HD2 ASN 51 2HD2 ASN 51 11.663 2.037 3.983
395 H TYR 52 H TYR 52 5.610 0.968 5.053
396 HA TYR 52 HA TYR 52 4.855 0.518 7.844
397 1HB TYR 52 2HB TYR 52 3.490 1.877 5.517
398 2HB TYR 52 1HB TYR 52 2.675 1.578 7.045
399 HD1 TYR 52 1HD TYR 52 2.336 3.672 7.981
400 HD2 TYR 52 2HD TYR 52 6.171 2.744 6.392
401 HE1 TYR 52 1HE TYR 52 3.212 5.784 8.878
402 HE2 TYR 52 2HE TYR 52 7.055 4.858 7.281
403 HH TYR 52 HH TYR 52 6.012 7.172 7.917
404 H ILE 53 H ILE 53 5.057 -1.291 5.137
405 HA ILE 53 HA ILE 53 3.003 -3.063 6.112
406 HB ILE 53 HB ILE 53 1.613 -2.668 4.440
407 1HG1 ILE 53 2HG1 ILE 53 2.747 -4.607 3.345
408 2HG1 ILE 53 1HG1 ILE 53 1.884 -3.531 2.263
409 1HG2 ILE 53 1HG2 ILE 53 3.537 -0.640 3.908
410 2HG2 ILE 53 2HG2 ILE 53 1.795 -0.617 3.663
411 3HG2 ILE 53 3HG2 ILE 53 2.854 -1.221 2.394
412 1HD1 ILE 53 1HD1 ILE 53 4.172 -4.409 1.560
413 2HD1 ILE 53 2HD1 ILE 53 4.823 -3.227 2.694
414 3HD1 ILE 53 3HD1 ILE 53 3.829 -2.694 1.340
415 H GLU 54 H GLU 54 3.126 -5.187 5.164
416 HA GLU 54 HA GLU 54 5.650 -6.051 3.995
417 1HB GLU 54 2HB GLU 54 4.541 -7.543 6.354
418 2HB GLU 54 1HB GLU 54 6.148 -7.626 5.652
419 1HG GLU 54 2HG GLU 54 6.626 -5.378 6.535
420 2HG GLU 54 1HG GLU 54 5.031 -5.360 7.292
421 H MET 55 H MET 55 5.384 -8.161 2.986
422 HA MET 55 HA MET 55 2.898 -8.532 1.760
423 1HB MET 55 2HB MET 55 5.323 -9.380 1.179
424 2HB MET 55 1HB MET 55 4.775 -10.827 2.010
425 1HG MET 55 2HG MET 55 3.940 -11.472 0.063
426 2HG MET 55 1HG MET 55 2.690 -10.253 0.307
427 1HE MET 55 1HE MET 55 5.997 -11.197 -0.932
428 2HE MET 55 2HE MET 55 6.702 -9.621 -1.291
429 3HE MET 55 3HE MET 55 6.008 -10.593 -2.589
430 H LYS 56 H LYS 56 1.098 -9.420 2.304
431 HA LYS 56 HA LYS 56 0.773 -10.984 4.725
432 1HB LYS 56 2HB LYS 56 -0.854 -9.115 4.053
433 2HB LYS 56 1HB LYS 56 -1.367 -10.174 2.750
434 1HG LYS 56 2HG LYS 56 -1.691 -11.879 4.749
435 2HG LYS 56 1HG LYS 56 -1.848 -10.382 5.669
436 1HD LYS 56 2HD LYS 56 -3.743 -9.717 4.514
437 2HD LYS 56 1HD LYS 56 -3.378 -10.740 3.126
438 1HE LYS 56 2HE LYS 56 -4.253 -12.614 4.104
439 2HE LYS 56 1HE LYS 56 -3.905 -12.054 5.740
440 1HZ LYS 56 1HZ LYS 56 -6.312 -12.093 5.075
441 2HZ LYS 56 2HZ LYS 56 -5.979 -10.806 4.031
442 3HZ LYS 56 3HZ LYS 56 -5.756 -10.621 5.698
443 H ASN 57 H ASN 57 1.805 -11.502 1.750
444 HA ASN 57 HA ASN 57 0.295 -13.984 1.301
445 1HB ASN 57 2HB ASN 57 0.432 -12.115 -0.492
446 2HB ASN 57 1HB ASN 57 2.066 -12.714 -0.763
447 1HD2 ASN 57 1HD2 ASN 57 -0.763 -12.806 -2.113
448 2HD2 ASN 57 2HD2 ASN 57 -0.830 -14.430 -2.700
449 H HIS 58 H HIS 58 2.102 -14.260 3.260
450 HA HIS 58 HA HIS 58 3.879 -16.207 2.157
451 1HB HIS 58 2HB HIS 58 4.884 -13.571 2.505
452 2HB HIS 58 1HB HIS 58 5.630 -14.587 3.734
453 HD1 HIS 58 1HD HIS 58 5.186 -16.918 1.191
454 HD2 HIS 58 2HD HIS 58 7.715 -13.645 1.604
455 HE1 HIS 58 1HE HIS 58 7.082 -17.331 -0.402
456 HE2 HIS 58 2HE HIS 58 8.552 -15.294 -0.206
457 H ASP 59 H ASP 59 1.806 -15.403 4.401
458 HA ASP 59 HA ASP 59 1.263 -16.106 6.476
459 1HB ASP 59 2HB ASP 59 2.749 -18.250 5.229
460 2HB ASP 59 1HB ASP 59 2.971 -18.268 6.977
Start of MODEL 9
1 1H MET 1 1HT MET 1 -3.602 -10.794 -5.613
2 2H MET 1 2HT MET 1 -2.511 -11.856 -6.403
3 3H MET 1 3HT MET 1 -2.609 -10.211 -6.883
4 HA MET 1 HA MET 1 -1.180 -11.443 -4.720
5 1HB MET 1 2HB MET 1 -0.885 -9.349 -6.725
6 2HB MET 1 1HB MET 1 -0.253 -8.885 -5.152
7 1HG MET 1 2HG MET 1 0.884 -11.243 -5.261
8 2HG MET 1 1HG MET 1 0.636 -11.043 -6.994
9 1HE MET 1 1HE MET 1 3.671 -9.312 -8.025
10 2HE MET 1 2HE MET 1 1.985 -9.057 -8.474
11 3HE MET 1 3HE MET 1 2.579 -10.689 -8.166
12 H GLU 2 H GLU 2 -1.146 -10.934 -2.651
13 HA GLU 2 HA GLU 2 -2.692 -8.595 -1.783
14 1HB GLU 2 2HB GLU 2 -2.973 -10.547 0.251
15 2HB GLU 2 1HB GLU 2 -4.220 -9.809 -0.739
16 1HG GLU 2 2HG GLU 2 -2.827 -11.936 -2.142
17 2HG GLU 2 1HG GLU 2 -3.558 -12.484 -0.636
18 H ALA 3 H ALA 3 -1.944 -7.533 -0.005
19 HA ALA 3 HA ALA 3 0.388 -8.407 1.447
20 1HB ALA 3 1HB ALA 3 0.350 -6.244 -0.534
21 2HB ALA 3 2HB ALA 3 1.678 -7.275 -0.010
22 3HB ALA 3 3HB ALA 3 1.176 -5.905 0.982
23 H ILE 4 H ILE 4 0.509 -7.537 3.517
24 HA ILE 4 HA ILE 4 -1.795 -5.875 4.288
25 HB ILE 4 HB ILE 4 -1.647 -8.014 5.441
26 1HG1 ILE 4 2HG1 ILE 4 -2.293 -5.756 6.603
27 2HG1 ILE 4 1HG1 ILE 4 -2.115 -7.216 7.566
28 1HG2 ILE 4 1HG2 ILE 4 0.632 -7.607 7.108
29 2HG2 ILE 4 2HG2 ILE 4 1.123 -7.492 5.421
30 3HG2 ILE 4 3HG2 ILE 4 0.286 -8.926 6.001
31 1HD1 ILE 4 1HD1 ILE 4 -0.802 -4.734 7.857
32 2HD1 ILE 4 2HD1 ILE 4 0.411 -5.938 7.438
33 3HD1 ILE 4 3HD1 ILE 4 -0.632 -6.190 8.836
34 H ALA 5 H ALA 5 -1.410 -4.195 5.903
35 HA ALA 5 HA ALA 5 1.337 -3.216 5.975
36 1HB ALA 5 1HB ALA 5 -0.274 -0.947 5.680
37 2HB ALA 5 2HB ALA 5 -0.807 -2.099 4.461
38 3HB ALA 5 3HB ALA 5 0.867 -1.597 4.523
39 H LYS 6 H LYS 6 1.640 -3.247 8.258
40 HA LYS 6 HA LYS 6 -0.612 -1.958 9.660
41 1HB LYS 6 2HB LYS 6 0.398 -3.013 11.710
42 2HB LYS 6 1HB LYS 6 -0.257 -4.141 10.529
43 1HG LYS 6 2HG LYS 6 2.644 -3.420 10.460
44 2HG LYS 6 1HG LYS 6 2.056 -4.610 11.617
45 1HD LYS 6 2HD LYS 6 1.509 -6.135 9.963
46 2HD LYS 6 1HD LYS 6 1.322 -4.890 8.736
47 1HE LYS 6 2HE LYS 6 3.305 -6.171 8.263
48 2HE LYS 6 1HE LYS 6 3.765 -4.541 8.747
49 1HZ LYS 6 1HZ LYS 6 4.814 -6.790 9.768
50 2HZ LYS 6 2HZ LYS 6 3.622 -6.443 10.916
51 3HZ LYS 6 3HZ LYS 6 4.811 -5.294 10.559
52 H HIS 7 H HIS 7 -0.043 0.098 9.256
53 HA HIS 7 HA HIS 7 1.297 1.284 11.269
54 1HB HIS 7 2HB HIS 7 2.867 1.144 8.713
55 2HB HIS 7 1HB HIS 7 2.887 2.657 9.617
56 HD1 HIS 7 1HD HIS 7 2.744 1.123 12.447
57 HD2 HIS 7 2HD HIS 7 5.544 0.558 9.427
58 HE1 HIS 7 1HE HIS 7 4.761 0.147 13.578
59 HE2 HIS 7 2HE HIS 7 6.442 -0.196 11.735
60 H ASP 8 H ASP 8 -0.018 3.275 11.463
61 HA ASP 8 HA ASP 8 -1.979 3.624 9.454
62 1HB ASP 8 2HB ASP 8 -1.145 5.228 11.817
63 2HB ASP 8 1HB ASP 8 -1.995 6.094 10.542
64 H PHE 9 H PHE 9 -2.143 5.465 7.882
65 HA PHE 9 HA PHE 9 0.149 7.097 7.429
66 1HB PHE 9 2HB PHE 9 0.824 4.789 6.457
67 2HB PHE 9 1HB PHE 9 -0.280 5.195 5.149
68 HD1 PHE 9 1HD PHE 9 0.434 6.569 3.388
69 HD2 PHE 9 2HD PHE 9 2.681 6.429 6.995
70 HE1 PHE 9 1HE PHE 9 2.223 7.886 2.323
71 HE2 PHE 9 2HE PHE 9 4.473 7.739 5.940
72 HZ PHE 9 HZ PHE 9 4.246 8.472 3.602
73 H SER 10 H SER 10 0.066 8.444 5.614
74 HA SER 10 HA SER 10 -2.441 8.553 4.165
75 1HB SER 10 2HB SER 10 -2.136 10.191 6.378
76 2HB SER 10 1HB SER 10 -1.715 11.241 5.025
77 HG SER 10 HG SER 10 -3.702 11.010 4.200
78 H ALA 11 H ALA 11 -1.717 8.385 2.183
79 HA ALA 11 HA ALA 11 0.421 8.632 0.756
80 1HB ALA 11 1HB ALA 11 -2.284 9.746 0.283
81 2HB ALA 11 2HB ALA 11 -1.439 8.457 -0.556
82 3HB ALA 11 3HB ALA 11 -1.017 10.143 -0.870
83 H THR 12 H THR 12 1.866 9.876 -0.081
84 HA THR 12 HA THR 12 2.125 12.595 0.974
85 HB THR 12 HB THR 12 3.977 10.340 0.723
86 HG1 THR 12 1HG THR 12 5.182 12.041 2.062
87 1HG2 THR 12 1HG2 THR 12 5.841 11.212 -0.235
88 2HG2 THR 12 2HG2 THR 12 5.365 12.886 0.046
89 3HG2 THR 12 3HG2 THR 12 4.636 11.971 -1.272
90 H ALA 13 H ALA 13 1.419 10.865 -1.805
91 HA ALA 13 HA ALA 13 1.888 13.237 -3.494
92 1HB ALA 13 1HB ALA 13 2.718 12.000 -5.256
93 2HB ALA 13 2HB ALA 13 1.930 10.516 -4.726
94 3HB ALA 13 3HB ALA 13 3.383 11.083 -3.904
95 H ASP 14 H ASP 14 0.177 13.473 -5.176
96 HA ASP 14 HA ASP 14 -2.400 12.980 -4.209
97 1HB ASP 14 2HB ASP 14 -3.129 13.558 -6.556
98 2HB ASP 14 1HB ASP 14 -2.109 14.758 -5.767
99 H ASP 15 H ASP 15 -0.374 11.194 -6.424
100 HA ASP 15 HA ASP 15 -2.484 9.285 -7.021
101 1HB ASP 15 2HB ASP 15 0.416 9.317 -7.896
102 2HB ASP 15 1HB ASP 15 -0.838 8.248 -8.514
103 H GLU 16 H GLU 16 -1.684 9.513 -4.270
104 HA GLU 16 HA GLU 16 -0.550 6.838 -3.843
105 1HB GLU 16 2HB GLU 16 -0.128 9.387 -2.311
106 2HB GLU 16 1HB GLU 16 0.076 7.824 -1.530
107 1HG GLU 16 2HG GLU 16 1.553 7.442 -3.697
108 2HG GLU 16 1HG GLU 16 1.733 9.181 -3.540
109 H LEU 17 H LEU 17 -1.339 6.061 -1.512
110 HA LEU 17 HA LEU 17 -4.193 6.798 -1.232
111 1HB LEU 17 2HB LEU 17 -4.732 4.438 -1.026
112 2HB LEU 17 1HB LEU 17 -4.022 4.795 -2.587
113 HG LEU 17 HG LEU 17 -1.890 4.050 -0.952
114 1HD1 LEU 17 1HD1 LEU 17 -3.256 3.044 0.689
115 2HD1 LEU 17 2HD1 LEU 17 -2.639 1.731 -0.312
116 3HD1 LEU 17 3HD1 LEU 17 -4.292 2.305 -0.529
117 1HD2 LEU 17 1HD2 LEU 17 -1.978 3.621 -3.283
118 2HD2 LEU 17 2HD2 LEU 17 -3.394 2.591 -3.097
119 3HD2 LEU 17 3HD2 LEU 17 -1.835 2.075 -2.452
120 H SER 18 H SER 18 -4.820 7.080 0.807
121 HA SER 18 HA SER 18 -3.019 6.418 2.999
122 1HB SER 18 2HB SER 18 -5.702 7.822 3.054
123 2HB SER 18 1HB SER 18 -4.562 7.710 4.397
124 HG SER 18 HG SER 18 -4.222 9.660 3.441
125 H PHE 19 H PHE 19 -3.799 5.368 4.890
126 HA PHE 19 HA PHE 19 -6.173 3.802 4.889
127 1HB PHE 19 2HB PHE 19 -5.144 1.573 4.821
128 2HB PHE 19 1HB PHE 19 -4.912 2.435 3.305
129 HD1 PHE 19 1HD PHE 19 -2.718 3.079 2.568
130 HD2 PHE 19 2HD PHE 19 -3.281 1.201 6.337
131 HE1 PHE 19 1HE PHE 19 -0.296 2.661 2.718
132 HE2 PHE 19 2HE PHE 19 -0.866 0.782 6.501
133 HZ PHE 19 HZ PHE 19 0.633 1.511 4.689
134 H ARG 20 H ARG 20 -5.874 1.955 6.686
135 HA ARG 20 HA ARG 20 -4.654 3.348 8.969
136 1HB ARG 20 2HB ARG 20 -7.247 1.985 8.620
137 2HB ARG 20 1HB ARG 20 -6.414 1.623 10.127
138 1HG ARG 20 2HG ARG 20 -6.160 4.216 10.274
139 2HG ARG 20 1HG ARG 20 -7.517 4.211 9.147
140 1HD ARG 20 2HD ARG 20 -8.660 4.235 11.115
141 2HD ARG 20 1HD ARG 20 -8.500 2.493 10.895
142 HE ARG 20 HE ARG 20 -6.347 2.966 12.341
143 1HH1 ARG 20 1HH1 ARG 20 -9.581 4.226 12.745
144 2HH1 ARG 20 2HH1 ARG 20 -9.424 4.418 14.457
145 1HH2 ARG 20 1HH2 ARG 20 -6.147 3.215 14.596
146 2HH2 ARG 20 2HH2 ARG 20 -7.479 3.845 15.508
147 H LYS 21 H LYS 21 -3.995 1.794 10.814
148 HA LYS 21 HA LYS 21 -2.156 -0.089 9.828
149 1HB LYS 21 2HB LYS 21 -2.214 1.015 12.145
150 2HB LYS 21 1HB LYS 21 -3.410 -0.203 12.572
151 1HG LYS 21 2HG LYS 21 -1.850 -1.966 12.233
152 2HG LYS 21 1HG LYS 21 -0.674 -0.861 11.524
153 1HD LYS 21 2HD LYS 21 0.208 -0.661 13.558
154 2HD LYS 21 1HD LYS 21 -1.238 0.246 14.005
155 1HE LYS 21 2HE LYS 21 -1.239 -1.383 15.620
156 2HE LYS 21 1HE LYS 21 -2.240 -2.146 14.385
157 1HZ LYS 21 1HZ LYS 21 -0.625 -3.639 13.865
158 2HZ LYS 21 2HZ LYS 21 -0.240 -3.404 15.495
159 3HZ LYS 21 3HZ LYS 21 0.647 -2.610 14.294
160 H THR 22 H THR 22 -2.306 -2.261 9.492
161 HA THR 22 HA THR 22 -3.084 -4.361 9.455
162 HB THR 22 HB THR 22 -4.326 -3.427 11.644
163 HG1 THR 22 1HG THR 22 -3.814 -5.441 11.873
164 1HG2 THR 22 1HG2 THR 22 -6.678 -4.728 11.097
165 2HG2 THR 22 2HG2 THR 22 -6.467 -3.687 9.692
166 3HG2 THR 22 3HG2 THR 22 -6.478 -2.994 11.311
167 H GLN 23 H GLN 23 -4.343 -1.901 7.633
168 HA GLN 23 HA GLN 23 -6.454 -3.573 6.564
169 1HB GLN 23 2HB GLN 23 -6.192 -0.848 6.507
170 2HB GLN 23 1HB GLN 23 -5.789 -1.310 4.858
171 1HG GLN 23 2HG GLN 23 -8.033 -2.820 5.483
172 2HG GLN 23 1HG GLN 23 -8.349 -1.233 6.181
173 1HE2 GLN 23 1HE2 GLN 23 -9.997 -0.905 4.666
174 2HE2 GLN 23 2HE2 GLN 23 -9.646 -0.493 3.030
175 H ILE 24 H ILE 24 -6.538 -4.565 4.632
176 HA ILE 24 HA ILE 24 -3.996 -5.514 3.659
177 HB ILE 24 HB ILE 24 -5.868 -7.063 3.966
178 1HG1 ILE 24 2HG1 ILE 24 -5.858 -8.048 1.591
179 2HG1 ILE 24 1HG1 ILE 24 -4.815 -6.692 1.170
180 1HG2 ILE 24 1HG2 ILE 24 -7.579 -5.293 3.230
181 2HG2 ILE 24 2HG2 ILE 24 -7.878 -6.976 2.802
182 3HG2 ILE 24 3HG2 ILE 24 -7.243 -5.858 1.595
183 1HD1 ILE 24 1HD1 ILE 24 -3.660 -8.848 1.739
184 2HD1 ILE 24 2HD1 ILE 24 -4.192 -8.596 3.403
185 3HD1 ILE 24 3HD1 ILE 24 -3.123 -7.430 2.633
186 H LEU 25 H LEU 25 -2.894 -4.711 1.990
187 HA LEU 25 HA LEU 25 -4.317 -2.918 0.152
188 1HB LEU 25 2HB LEU 25 -1.508 -2.692 -0.220
189 2HB LEU 25 1HB LEU 25 -2.652 -1.486 0.326
190 HG LEU 25 HG LEU 25 -2.091 -3.147 2.556
191 1HD1 LEU 25 1HD1 LEU 25 -0.071 -3.963 1.916
192 2HD1 LEU 25 2HD1 LEU 25 0.445 -2.400 2.545
193 3HD1 LEU 25 3HD1 LEU 25 0.244 -2.622 0.810
194 1HD2 LEU 25 1HD2 LEU 25 -1.903 -0.344 1.743
195 2HD2 LEU 25 2HD2 LEU 25 -0.749 -0.815 2.989
196 3HD2 LEU 25 3HD2 LEU 25 -2.476 -1.055 3.250
197 H LYS 26 H LYS 26 -4.162 -3.107 -2.032
198 HA LYS 26 HA LYS 26 -3.517 -5.743 -3.071
199 1HB LYS 26 2HB LYS 26 -4.666 -3.237 -4.304
200 2HB LYS 26 1HB LYS 26 -4.519 -4.778 -5.132
201 1HG LYS 26 2HG LYS 26 -5.898 -4.972 -2.575
202 2HG LYS 26 1HG LYS 26 -6.700 -3.905 -3.731
203 1HD LYS 26 2HD LYS 26 -7.388 -5.628 -4.971
204 2HD LYS 26 1HD LYS 26 -5.775 -6.348 -4.986
205 1HE LYS 26 2HE LYS 26 -7.268 -6.544 -2.449
206 2HE LYS 26 1HE LYS 26 -7.906 -7.482 -3.799
207 1HZ LYS 26 1HZ LYS 26 -6.181 -8.890 -3.735
208 2HZ LYS 26 2HZ LYS 26 -5.959 -8.318 -2.160
209 3HZ LYS 26 3HZ LYS 26 -5.043 -7.675 -3.429
210 H ILE 27 H ILE 27 -1.256 -5.909 -3.266
211 HA ILE 27 HA ILE 27 0.319 -3.803 -4.474
212 HB ILE 27 HB ILE 27 1.055 -6.661 -3.834
213 1HG1 ILE 27 2HG1 ILE 27 1.542 -4.029 -2.432
214 2HG1 ILE 27 1HG1 ILE 27 0.610 -5.396 -1.838
215 1HG2 ILE 27 1HG2 ILE 27 3.282 -6.184 -4.371
216 2HG2 ILE 27 2HG2 ILE 27 2.995 -4.444 -4.416
217 3HG2 ILE 27 3HG2 ILE 27 2.369 -5.476 -5.702
218 1HD1 ILE 27 1HD1 ILE 27 2.867 -5.124 -0.810
219 2HD1 ILE 27 2HD1 ILE 27 3.564 -5.505 -2.384
220 3HD1 ILE 27 3HD1 ILE 27 2.581 -6.702 -1.545
221 H LEU 28 H LEU 28 0.873 -3.614 -6.668
222 HA LEU 28 HA LEU 28 0.320 -5.932 -8.365
223 1HB LEU 28 2HB LEU 28 -1.129 -4.702 -9.884
224 2HB LEU 28 1HB LEU 28 -1.807 -4.847 -8.275
225 HG LEU 28 HG LEU 28 -0.535 -2.411 -8.150
226 1HD1 LEU 28 1HD1 LEU 28 -0.844 -3.025 -10.911
227 2HD1 LEU 28 2HD1 LEU 28 -0.248 -1.542 -10.166
228 3HD1 LEU 28 3HD1 LEU 28 -1.969 -1.733 -10.493
229 1HD2 LEU 28 1HD2 LEU 28 -2.994 -3.357 -7.668
230 2HD2 LEU 28 2HD2 LEU 28 -3.328 -2.406 -9.115
231 3HD2 LEU 28 3HD2 LEU 28 -2.613 -1.635 -7.699
232 H ASN 29 H ASN 29 2.121 -2.951 -7.995
233 HA ASN 29 HA ASN 29 3.643 -3.825 -10.290
234 1HB ASN 29 2HB ASN 29 3.484 -1.932 -11.654
235 2HB ASN 29 1HB ASN 29 1.832 -2.339 -11.217
236 1HD2 ASN 29 1HD2 ASN 29 4.494 -0.144 -10.600
237 2HD2 ASN 29 2HD2 ASN 29 3.529 1.152 -9.993
238 H MET 30 H MET 30 5.605 -3.815 -9.827
239 HA MET 30 HA MET 30 6.677 -1.747 -8.095
240 1HB MET 30 2HB MET 30 7.316 -4.592 -8.269
241 2HB MET 30 1HB MET 30 8.731 -3.554 -8.383
242 1HG MET 30 2HG MET 30 7.990 -2.414 -6.303
243 2HG MET 30 1HG MET 30 6.695 -3.603 -6.168
244 1HE MET 30 1HE MET 30 8.503 -6.897 -5.423
245 2HE MET 30 2HE MET 30 8.107 -6.363 -7.056
246 3HE MET 30 3HE MET 30 6.981 -6.058 -5.733
247 H GLU 31 H GLU 31 7.874 -0.413 -8.862
248 HA GLU 31 HA GLU 31 9.715 -0.561 -11.043
249 1HB GLU 31 2HB GLU 31 7.062 0.835 -11.497
250 2HB GLU 31 1HB GLU 31 8.526 1.242 -12.376
251 1HG GLU 31 2HG GLU 31 8.562 -0.819 -13.491
252 2HG GLU 31 1HG GLU 31 7.410 -1.537 -12.378
253 H ASP 32 H ASP 32 7.487 1.391 -9.167
254 HA ASP 32 HA ASP 32 8.917 3.700 -9.378
255 1HB ASP 32 2HB ASP 32 6.762 2.794 -7.523
256 2HB ASP 32 1HB ASP 32 7.635 4.266 -7.102
257 H ASP 33 H ASP 33 10.160 0.965 -8.014
258 HA ASP 33 HA ASP 33 12.381 1.162 -7.158
259 1HB ASP 33 2HB ASP 33 12.137 3.655 -7.039
260 2HB ASP 33 1HB ASP 33 11.395 3.439 -5.451
261 H SER 34 H SER 34 13.197 0.307 -5.213
262 HA SER 34 HA SER 34 11.524 -1.505 -3.868
263 1HB SER 34 2HB SER 34 14.326 -0.533 -3.419
264 2HB SER 34 1HB SER 34 13.568 -1.708 -2.343
265 HG SER 34 HG SER 34 14.015 -3.156 -3.779
266 H ASN 35 H ASN 35 10.602 1.447 -3.380
267 HA ASN 35 HA ASN 35 10.547 1.140 -0.465
268 1HB ASN 35 2HB ASN 35 12.239 2.894 -1.786
269 2HB ASN 35 1HB ASN 35 10.887 3.905 -1.288
270 1HD2 ASN 35 1HD2 ASN 35 10.776 4.555 0.752
271 2HD2 ASN 35 2HD2 ASN 35 11.809 4.017 2.029
272 H TRP 36 H TRP 36 9.084 2.401 -3.368
273 HA TRP 36 HA TRP 36 6.671 3.012 -1.804
274 1HB TRP 36 2HB TRP 36 7.839 4.598 -4.098
275 2HB TRP 36 1HB TRP 36 6.184 4.805 -3.527
276 HD1 TRP 36 HD TRP 36 9.684 5.899 -2.837
277 HE1 TRP 36 1HE TRP 36 9.758 7.362 -0.726
278 HE3 TRP 36 3HE TRP 36 4.961 5.049 -1.092
279 HZ2 TRP 36 2HZ TRP 36 8.037 8.065 1.406
280 HZ3 TRP 36 3HZ TRP 36 4.246 6.143 1.003
281 HH2 TRP 36 HH TRP 36 5.759 7.627 2.216
282 H TYR 37 H TYR 37 5.173 1.581 -2.290
283 HA TYR 37 HA TYR 37 5.211 0.273 -4.906
284 1HB TYR 37 2HB TYR 37 3.987 -0.497 -2.261
285 2HB TYR 37 1HB TYR 37 3.682 -1.380 -3.750
286 HD1 TYR 37 1HD TYR 37 6.777 -0.688 -4.559
287 HD2 TYR 37 2HD TYR 37 4.801 -2.683 -1.359
288 HE1 TYR 37 1HE TYR 37 8.789 -2.039 -4.167
289 HE2 TYR 37 2HE TYR 37 6.812 -4.039 -0.959
290 HH TYR 37 HH TYR 37 9.690 -3.362 -1.824
291 H ARG 38 H ARG 38 3.300 -0.176 -6.042
292 HA ARG 38 HA ARG 38 1.259 1.905 -5.714
293 1HB ARG 38 2HB ARG 38 2.519 1.744 -7.901
294 2HB ARG 38 1HB ARG 38 1.798 0.158 -8.123
295 1HG ARG 38 2HG ARG 38 -0.058 1.043 -8.949
296 2HG ARG 38 1HG ARG 38 -0.232 2.110 -7.553
297 1HD ARG 38 2HD ARG 38 1.498 3.598 -8.629
298 2HD ARG 38 1HD ARG 38 1.332 2.605 -10.077
299 HE ARG 38 HE ARG 38 -1.178 3.571 -9.126
300 1HH1 ARG 38 1HH1 ARG 38 1.642 4.451 -10.979
301 2HH1 ARG 38 2HH1 ARG 38 0.804 5.637 -11.921
302 1HH2 ARG 38 1HH2 ARG 38 -2.281 5.125 -10.358
303 2HH2 ARG 38 2HH2 ARG 38 -1.425 6.020 -11.568
304 H ALA 39 H ALA 39 -0.437 1.219 -4.632
305 HA ALA 39 HA ALA 39 -1.373 -1.542 -5.006
306 1HB ALA 39 1HB ALA 39 -1.071 -1.846 -2.829
307 2HB ALA 39 2HB ALA 39 -2.282 -0.601 -2.513
308 3HB ALA 39 3HB ALA 39 -0.577 -0.165 -2.633
309 H GLU 40 H GLU 40 -3.695 -1.791 -4.226
310 HA GLU 40 HA GLU 40 -5.325 0.500 -5.101
311 1HB GLU 40 2HB GLU 40 -5.065 -1.789 -6.560
312 2HB GLU 40 1HB GLU 40 -6.462 -2.188 -5.568
313 1HG GLU 40 2HG GLU 40 -6.893 0.418 -6.516
314 2HG GLU 40 1HG GLU 40 -6.296 -0.517 -7.887
315 H LEU 41 H LEU 41 -7.385 0.731 -4.098
316 HA LEU 41 HA LEU 41 -8.169 -1.055 -1.974
317 1HB LEU 41 2HB LEU 41 -6.536 -0.016 -0.688
318 2HB LEU 41 1HB LEU 41 -6.786 1.545 -1.443
319 HG LEU 41 HG LEU 41 -8.965 1.720 -0.255
320 1HD1 LEU 41 1HD1 LEU 41 -8.040 -0.653 1.330
321 2HD1 LEU 41 2HD1 LEU 41 -9.191 -0.775 0.002
322 3HD1 LEU 41 3HD1 LEU 41 -9.584 0.190 1.423
323 1HD2 LEU 41 1HD2 LEU 41 -7.164 1.290 1.995
324 2HD2 LEU 41 2HD2 LEU 41 -7.925 2.773 1.418
325 3HD2 LEU 41 3HD2 LEU 41 -6.426 2.206 0.682
326 H ASP 42 H ASP 42 -10.323 -1.073 -2.015
327 HA ASP 42 HA ASP 42 -12.496 -0.433 -2.168
328 1HB ASP 42 2HB ASP 42 -11.838 1.295 -0.514
329 2HB ASP 42 1HB ASP 42 -11.443 2.387 -1.836
330 H GLY 43 H GLY 43 -11.189 2.502 -3.648
331 1HA GLY 43 2HA GLY 43 -11.832 1.534 -6.317
332 2HA GLY 43 1HA GLY 43 -12.802 2.879 -5.729
333 H LYS 44 H LYS 44 -9.585 2.874 -4.516
334 HA LYS 44 HA LYS 44 -8.801 4.810 -6.584
335 1HB LYS 44 2HB LYS 44 -9.584 5.740 -4.327
336 2HB LYS 44 1HB LYS 44 -8.115 5.043 -3.660
337 1HG LYS 44 2HG LYS 44 -7.003 6.857 -4.240
338 2HG LYS 44 1HG LYS 44 -7.361 6.528 -5.936
339 1HD LYS 44 2HD LYS 44 -8.513 8.439 -5.941
340 2HD LYS 44 1HD LYS 44 -9.715 7.616 -4.945
341 1HE LYS 44 2HE LYS 44 -9.312 9.236 -3.452
342 2HE LYS 44 1HE LYS 44 -7.837 8.339 -3.096
343 1HZ LYS 44 1HZ LYS 44 -8.035 10.930 -4.036
344 2HZ LYS 44 2HZ LYS 44 -7.445 10.025 -5.337
345 3HZ LYS 44 3HZ LYS 44 -6.625 10.012 -3.858
346 H GLU 45 H GLU 45 -6.801 4.624 -7.372
347 HA GLU 45 HA GLU 45 -5.065 2.526 -6.278
348 1HB GLU 45 2HB GLU 45 -5.779 2.503 -8.709
349 2HB GLU 45 1HB GLU 45 -4.807 3.951 -8.929
350 1HG GLU 45 2HG GLU 45 -2.835 2.829 -8.729
351 2HG GLU 45 1HG GLU 45 -3.525 1.566 -7.712
352 H GLY 46 H GLY 46 -2.602 3.049 -6.361
353 1HA GLY 46 2HA GLY 46 -1.482 5.468 -6.716
354 2HA GLY 46 1HA GLY 46 -2.296 5.693 -5.186
355 H LEU 47 H LEU 47 0.355 6.133 -5.375
356 HA LEU 47 HA LEU 47 1.887 3.848 -4.667
357 1HB LEU 47 2HB LEU 47 2.605 6.760 -4.393
358 2HB LEU 47 1HB LEU 47 3.720 5.419 -4.327
359 HG LEU 47 HG LEU 47 2.258 5.299 -6.790
360 1HD1 LEU 47 1HD1 LEU 47 3.702 7.557 -7.429
361 2HD1 LEU 47 2HD1 LEU 47 2.941 7.987 -5.897
362 3HD1 LEU 47 3HD1 LEU 47 1.949 7.462 -7.257
363 1HD2 LEU 47 1HD2 LEU 47 4.630 4.510 -5.983
364 2HD2 LEU 47 2HD2 LEU 47 5.120 6.090 -6.597
365 3HD2 LEU 47 3HD2 LEU 47 4.339 4.928 -7.670
366 H ILE 48 H ILE 48 2.842 3.427 -2.590
367 HA ILE 48 HA ILE 48 1.895 4.971 -0.291
368 HB ILE 48 HB ILE 48 1.522 2.514 0.769
369 1HG1 ILE 48 2HG1 ILE 48 -0.233 1.775 -1.267
370 2HG1 ILE 48 1HG1 ILE 48 1.273 2.148 -2.098
371 1HG2 ILE 48 1HG2 ILE 48 -0.345 4.491 -0.433
372 2HG2 ILE 48 2HG2 ILE 48 -0.021 4.134 1.262
373 3HG2 ILE 48 3HG2 ILE 48 -0.966 3.009 0.291
374 1HD1 ILE 48 1HD1 ILE 48 0.678 -0.239 -0.967
375 2HD1 ILE 48 2HD1 ILE 48 1.594 0.540 0.322
376 3HD1 ILE 48 3HD1 ILE 48 2.310 0.347 -1.278
377 HA PRO 49 HA PRO 49 5.657 3.858 1.690
378 1HB PRO 49 2HB PRO 49 4.970 3.093 4.200
379 2HB PRO 49 1HB PRO 49 4.939 4.774 3.649
380 1HG PRO 49 2HG PRO 49 2.685 2.820 3.895
381 2HG PRO 49 1HG PRO 49 2.736 4.532 4.349
382 1HD PRO 49 2HD PRO 49 1.599 3.665 2.061
383 2HD PRO 49 1HD PRO 49 2.390 5.246 2.185
384 H SER 50 H SER 50 6.912 2.140 1.400
385 HA SER 50 HA SER 50 5.842 -0.548 1.213
386 1HB SER 50 2HB SER 50 7.783 0.590 -0.160
387 2HB SER 50 1HB SER 50 8.775 0.082 1.203
388 HG SER 50 HG SER 50 7.908 -1.358 -0.847
389 H ASN 51 H ASN 51 7.943 1.242 3.410
390 HA ASN 51 HA ASN 51 8.535 -0.988 5.037
391 1HB ASN 51 2HB ASN 51 9.500 0.656 6.572
392 2HB ASN 51 1HB ASN 51 9.979 0.968 4.908
393 1HD2 ASN 51 1HD2 ASN 51 9.137 2.765 3.834
394 2HD2 ASN 51 2HD2 ASN 51 8.425 4.082 4.695
395 H TYR 52 H TYR 52 5.666 0.799 4.794
396 HA TYR 52 HA TYR 52 4.870 0.335 7.582
397 1HB TYR 52 2HB TYR 52 3.517 1.756 5.279
398 2HB TYR 52 1HB TYR 52 2.718 1.458 6.815
399 HD1 TYR 52 1HD TYR 52 6.156 2.666 5.952
400 HD2 TYR 52 2HD TYR 52 2.483 3.447 7.942
401 HE1 TYR 52 1HE TYR 52 7.091 4.758 6.846
402 HE2 TYR 52 2HE TYR 52 3.406 5.537 8.845
403 HH TYR 52 HH TYR 52 6.640 6.665 7.948
404 H ILE 53 H ILE 53 5.032 -1.370 4.784
405 HA ILE 53 HA ILE 53 2.961 -3.151 5.707
406 HB ILE 53 HB ILE 53 1.612 -2.925 3.937
407 1HG1 ILE 53 2HG1 ILE 53 3.140 -4.482 2.689
408 2HG1 ILE 53 1HG1 ILE 53 2.214 -3.396 1.673
409 1HG2 ILE 53 1HG2 ILE 53 1.740 -0.653 3.767
410 2HG2 ILE 53 2HG2 ILE 53 2.397 -1.054 2.184
411 3HG2 ILE 53 3HG2 ILE 53 3.482 -0.667 3.513
412 1HD1 ILE 53 1HD1 ILE 53 4.919 -2.527 2.485
413 2HD1 ILE 53 2HD1 ILE 53 4.034 -2.242 0.987
414 3HD1 ILE 53 3HD1 ILE 53 4.781 -3.811 1.284
415 H GLU 54 H GLU 54 3.116 -5.293 4.668
416 HA GLU 54 HA GLU 54 5.773 -6.006 3.653
417 1HB GLU 54 2HB GLU 54 4.976 -6.412 6.273
418 2HB GLU 54 1HB GLU 54 4.636 -7.956 5.507
419 1HG GLU 54 2HG GLU 54 6.789 -8.229 6.265
420 2HG GLU 54 1HG GLU 54 7.040 -7.758 4.583
421 H MET 55 H MET 55 5.744 -7.878 2.291
422 HA MET 55 HA MET 55 3.432 -8.324 0.800
423 1HB MET 55 2HB MET 55 4.612 -10.240 -0.156
424 2HB MET 55 1HB MET 55 5.664 -8.835 -0.032
425 1HG MET 55 2HG MET 55 5.980 -10.266 2.361
426 2HG MET 55 1HG MET 55 5.996 -11.458 1.060
427 1HE MET 55 1HE MET 55 8.690 -9.709 -1.294
428 2HE MET 55 2HE MET 55 6.945 -9.959 -1.283
429 3HE MET 55 3HE MET 55 8.031 -11.324 -1.032
430 H LYS 56 H LYS 56 1.660 -9.481 1.084
431 HA LYS 56 HA LYS 56 1.491 -11.247 3.348
432 1HB LYS 56 2HB LYS 56 -0.356 -9.451 2.613
433 2HB LYS 56 1HB LYS 56 -0.874 -10.773 1.583
434 1HG LYS 56 2HG LYS 56 -2.045 -10.585 3.787
435 2HG LYS 56 1HG LYS 56 -1.318 -12.157 3.482
436 1HD LYS 56 2HD LYS 56 0.272 -10.107 4.926
437 2HD LYS 56 1HD LYS 56 -1.021 -10.934 5.794
438 1HE LYS 56 2HE LYS 56 0.751 -12.690 4.244
439 2HE LYS 56 1HE LYS 56 1.538 -11.833 5.569
440 1HZ LYS 56 1HZ LYS 56 -0.601 -13.839 5.661
441 2HZ LYS 56 2HZ LYS 56 -0.516 -12.680 6.891
442 3HZ LYS 56 3HZ LYS 56 0.796 -13.710 6.608
443 H ASN 57 H ASN 57 -0.579 -12.848 2.082
444 HA ASN 57 HA ASN 57 -0.686 -14.813 0.926
445 1HB ASN 57 2HB ASN 57 -0.564 -12.972 -0.878
446 2HB ASN 57 1HB ASN 57 1.091 -13.519 -1.122
447 1HD2 ASN 57 1HD2 ASN 57 1.407 -15.113 -2.503
448 2HD2 ASN 57 2HD2 ASN 57 0.192 -16.186 -3.104
449 H HIS 58 H HIS 58 1.156 -14.925 2.879
450 HA HIS 58 HA HIS 58 2.973 -16.891 1.811
451 1HB HIS 58 2HB HIS 58 3.958 -14.363 1.874
452 2HB HIS 58 1HB HIS 58 4.427 -14.932 3.473
453 HD1 HIS 58 1HD HIS 58 6.761 -15.704 3.402
454 HD2 HIS 58 2HD HIS 58 4.718 -16.690 -0.079
455 HE1 HIS 58 1HE HIS 58 8.404 -16.994 2.001
456 HE2 HIS 58 2HE HIS 58 7.172 -17.504 -0.138
457 H ASP 59 H ASP 59 4.627 -17.364 3.850
458 HA ASP 59 HA ASP 59 2.899 -18.493 5.831
459 1HB ASP 59 2HB ASP 59 5.789 -18.606 5.168
460 2HB ASP 59 1HB ASP 59 5.355 -18.939 6.842
Start of MODEL 10
1 1H MET 1 1HT MET 1 -4.262 -9.376 -5.578
2 2H MET 1 2HT MET 1 -3.845 -10.696 -6.589
3 3H MET 1 3HT MET 1 -2.942 -9.240 -6.670
4 HA MET 1 HA MET 1 -2.741 -11.461 -4.917
5 1HB MET 1 2HB MET 1 -1.074 -10.283 -6.536
6 2HB MET 1 1HB MET 1 -0.865 -9.119 -5.236
7 1HG MET 1 2HG MET 1 0.074 -10.723 -3.805
8 2HG MET 1 1HG MET 1 -0.467 -12.063 -4.815
9 1HE MET 1 1HE MET 1 1.956 -12.545 -7.468
10 2HE MET 1 2HE MET 1 0.417 -12.905 -6.686
11 3HE MET 1 3HE MET 1 1.931 -13.356 -5.902
12 H GLU 2 H GLU 2 -1.637 -10.966 -2.674
13 HA GLU 2 HA GLU 2 -3.067 -8.706 -1.466
14 1HB GLU 2 2HB GLU 2 -4.335 -10.723 -1.006
15 2HB GLU 2 1HB GLU 2 -2.919 -11.465 -0.272
16 1HG GLU 2 2HG GLU 2 -2.926 -9.463 1.310
17 2HG GLU 2 1HG GLU 2 -4.564 -9.177 0.725
18 H ALA 3 H ALA 3 -2.140 -7.628 0.148
19 HA ALA 3 HA ALA 3 0.396 -8.387 1.298
20 1HB ALA 3 1HB ALA 3 1.522 -6.380 0.675
21 2HB ALA 3 2HB ALA 3 0.060 -5.731 -0.068
22 3HB ALA 3 3HB ALA 3 0.885 -7.109 -0.797
23 H ILE 4 H ILE 4 0.646 -7.529 3.419
24 HA ILE 4 HA ILE 4 -1.687 -5.969 4.327
25 HB ILE 4 HB ILE 4 -1.272 -8.225 5.362
26 1HG1 ILE 4 2HG1 ILE 4 -1.037 -6.251 7.564
27 2HG1 ILE 4 1HG1 ILE 4 -2.337 -5.988 6.406
28 1HG2 ILE 4 1HG2 ILE 4 1.068 -6.788 6.605
29 2HG2 ILE 4 2HG2 ILE 4 1.154 -8.142 5.479
30 3HG2 ILE 4 3HG2 ILE 4 0.466 -8.375 7.086
31 1HD1 ILE 4 1HD1 ILE 4 -2.197 -8.743 7.268
32 2HD1 ILE 4 2HD1 ILE 4 -3.555 -7.617 7.285
33 3HD1 ILE 4 3HD1 ILE 4 -2.401 -7.629 8.619
34 H ALA 5 H ALA 5 -1.320 -4.294 5.963
35 HA ALA 5 HA ALA 5 1.418 -3.276 5.982
36 1HB ALA 5 1HB ALA 5 0.365 -2.119 4.160
37 2HB ALA 5 2HB ALA 5 0.541 -0.993 5.503
38 3HB ALA 5 3HB ALA 5 -1.023 -1.731 5.170
39 H LYS 6 H LYS 6 1.800 -3.348 8.275
40 HA LYS 6 HA LYS 6 -0.389 -2.076 9.795
41 1HB LYS 6 2HB LYS 6 0.775 -3.098 11.798
42 2HB LYS 6 1HB LYS 6 0.020 -4.233 10.684
43 1HG LYS 6 2HG LYS 6 2.838 -3.589 10.139
44 2HG LYS 6 1HG LYS 6 2.528 -4.493 11.622
45 1HD LYS 6 2HD LYS 6 1.093 -5.463 9.241
46 2HD LYS 6 1HD LYS 6 2.849 -5.608 9.164
47 1HE LYS 6 2HE LYS 6 1.891 -6.442 11.743
48 2HE LYS 6 1HE LYS 6 1.038 -7.310 10.468
49 1HZ LYS 6 1HZ LYS 6 3.757 -7.558 11.344
50 2HZ LYS 6 2HZ LYS 6 3.638 -7.381 9.668
51 3HZ LYS 6 3HZ LYS 6 2.811 -8.636 10.444
52 H HIS 7 H HIS 7 0.129 0.001 9.396
53 HA HIS 7 HA HIS 7 1.620 1.175 11.305
54 1HB HIS 7 2HB HIS 7 3.014 0.913 8.694
55 2HB HIS 7 1HB HIS 7 3.017 2.532 9.382
56 HD1 HIS 7 1HD HIS 7 3.117 1.336 12.390
57 HD2 HIS 7 2HD HIS 7 5.762 0.582 9.277
58 HE1 HIS 7 1HE HIS 7 5.236 0.581 13.482
59 HE2 HIS 7 2HE HIS 7 6.806 0.063 11.584
60 H ASP 8 H ASP 8 0.193 3.064 11.648
61 HA ASP 8 HA ASP 8 -1.824 3.461 9.713
62 1HB ASP 8 2HB ASP 8 -1.750 4.303 12.206
63 2HB ASP 8 1HB ASP 8 -1.010 5.734 11.497
64 H PHE 9 H PHE 9 -2.071 5.387 8.251
65 HA PHE 9 HA PHE 9 0.218 7.052 7.805
66 1HB PHE 9 2HB PHE 9 0.901 4.846 6.721
67 2HB PHE 9 1HB PHE 9 -0.364 5.156 5.538
68 HD1 PHE 9 1HD PHE 9 0.063 6.501 3.679
69 HD2 PHE 9 2HD PHE 9 2.722 6.610 6.997
70 HE1 PHE 9 1HE PHE 9 1.655 7.840 2.364
71 HE2 PHE 9 2HE PHE 9 4.311 7.954 5.691
72 HZ PHE 9 HZ PHE 9 3.778 8.573 3.369
73 H SER 10 H SER 10 0.042 8.591 6.335
74 HA SER 10 HA SER 10 -2.423 8.805 4.830
75 1HB SER 10 2HB SER 10 -2.237 10.187 7.208
76 2HB SER 10 1HB SER 10 -1.724 11.394 6.031
77 HG SER 10 HG SER 10 -3.980 9.924 5.358
78 H ALA 11 H ALA 11 -1.518 8.703 2.931
79 HA ALA 11 HA ALA 11 0.662 9.110 1.633
80 1HB ALA 11 1HB ALA 11 -0.653 10.513 -0.073
81 2HB ALA 11 2HB ALA 11 -2.005 10.267 1.025
82 3HB ALA 11 3HB ALA 11 -1.193 8.877 0.314
83 H THR 12 H THR 12 2.065 10.381 0.887
84 HA THR 12 HA THR 12 2.284 13.082 1.995
85 HB THR 12 HB THR 12 4.232 10.870 1.459
86 HG1 THR 12 1HG THR 12 3.459 12.082 3.529
87 1HG2 THR 12 1HG2 THR 12 5.768 12.026 0.340
88 2HG2 THR 12 2HG2 THR 12 5.883 13.116 1.719
89 3HG2 THR 12 3HG2 THR 12 4.803 13.500 0.386
90 H ALA 13 H ALA 13 1.682 11.326 -0.830
91 HA ALA 13 HA ALA 13 2.073 13.740 -2.477
92 1HB ALA 13 1HB ALA 13 3.672 12.456 -3.501
93 2HB ALA 13 2HB ALA 13 2.251 11.900 -4.383
94 3HB ALA 13 3HB ALA 13 2.903 10.940 -3.058
95 H ASP 14 H ASP 14 0.445 13.919 -4.234
96 HA ASP 14 HA ASP 14 -2.156 13.542 -3.359
97 1HB ASP 14 2HB ASP 14 -0.811 14.453 -5.789
98 2HB ASP 14 1HB ASP 14 -2.386 13.729 -6.100
99 H ASP 15 H ASP 15 -0.280 11.642 -5.663
100 HA ASP 15 HA ASP 15 -2.465 9.784 -6.121
101 1HB ASP 15 2HB ASP 15 -0.633 10.601 -7.811
102 2HB ASP 15 1HB ASP 15 0.350 9.353 -7.057
103 H GLU 16 H GLU 16 -1.041 10.123 -3.407
104 HA GLU 16 HA GLU 16 -0.022 7.400 -3.099
105 1HB GLU 16 2HB GLU 16 0.339 9.943 -1.583
106 2HB GLU 16 1HB GLU 16 0.542 8.413 -0.742
107 1HG GLU 16 2HG GLU 16 1.967 8.175 -3.117
108 2HG GLU 16 1HG GLU 16 2.317 9.781 -2.517
109 H LEU 17 H LEU 17 -1.366 5.944 -2.410
110 HA LEU 17 HA LEU 17 -3.970 6.587 -1.399
111 1HB LEU 17 2HB LEU 17 -3.294 4.603 -2.850
112 2HB LEU 17 1HB LEU 17 -2.609 3.899 -1.398
113 HG LEU 17 HG LEU 17 -5.051 4.347 -0.459
114 1HD1 LEU 17 1HD1 LEU 17 -6.449 5.095 -2.018
115 2HD1 LEU 17 2HD1 LEU 17 -6.343 3.497 -2.758
116 3HD1 LEU 17 3HD1 LEU 17 -5.287 4.796 -3.312
117 1HD2 LEU 17 1HD2 LEU 17 -4.788 2.146 -0.281
118 2HD2 LEU 17 2HD2 LEU 17 -3.660 2.121 -1.638
119 3HD2 LEU 17 3HD2 LEU 17 -5.393 1.987 -1.930
120 H SER 18 H SER 18 -4.510 6.897 0.669
121 HA SER 18 HA SER 18 -2.628 6.260 2.809
122 1HB SER 18 2HB SER 18 -3.962 7.615 4.239
123 2HB SER 18 1HB SER 18 -3.923 8.459 2.690
124 HG SER 18 HG SER 18 -5.972 7.285 2.275
125 H PHE 19 H PHE 19 -3.560 5.366 4.850
126 HA PHE 19 HA PHE 19 -5.821 3.690 4.780
127 1HB PHE 19 2HB PHE 19 -4.725 1.493 4.782
128 2HB PHE 19 1HB PHE 19 -4.382 2.350 3.284
129 HD1 PHE 19 1HD PHE 19 -2.183 2.599 2.566
130 HD2 PHE 19 2HD PHE 19 -2.953 1.636 6.636
131 HE1 PHE 19 1HE PHE 19 0.228 2.252 2.937
132 HE2 PHE 19 2HE PHE 19 -0.551 1.283 7.010
133 HZ PHE 19 HZ PHE 19 1.044 1.596 5.164
134 H ARG 20 H ARG 20 -5.593 1.953 6.666
135 HA ARG 20 HA ARG 20 -4.551 3.461 8.969
136 1HB ARG 20 2HB ARG 20 -6.744 1.385 9.050
137 2HB ARG 20 1HB ARG 20 -6.312 2.544 10.300
138 1HG ARG 20 2HG ARG 20 -6.964 3.980 7.928
139 2HG ARG 20 1HG ARG 20 -8.236 2.801 8.241
140 1HD ARG 20 2HD ARG 20 -7.543 4.002 10.716
141 2HD ARG 20 1HD ARG 20 -7.753 5.292 9.535
142 HE ARG 20 HE ARG 20 -9.791 3.408 10.451
143 1HH1 ARG 20 1HH1 ARG 20 -8.940 6.113 8.401
144 2HH1 ARG 20 2HH1 ARG 20 -10.586 6.563 8.111
145 1HH2 ARG 20 1HH2 ARG 20 -11.949 4.011 10.064
146 2HH2 ARG 20 2HH2 ARG 20 -12.289 5.373 9.049
147 H LYS 21 H LYS 21 -3.882 1.957 10.911
148 HA LYS 21 HA LYS 21 -1.959 0.126 9.989
149 1HB LYS 21 2HB LYS 21 -1.745 -0.558 12.328
150 2HB LYS 21 1HB LYS 21 -1.832 1.192 12.202
151 1HG LYS 21 2HG LYS 21 -3.579 1.257 13.556
152 2HG LYS 21 1HG LYS 21 -4.465 0.113 12.545
153 1HD LYS 21 2HD LYS 21 -3.846 -1.689 13.806
154 2HD LYS 21 1HD LYS 21 -2.319 -0.958 14.300
155 1HE LYS 21 2HE LYS 21 -3.248 0.105 16.073
156 2HE LYS 21 1HE LYS 21 -4.795 0.340 15.260
157 1HZ LYS 21 1HZ LYS 21 -5.142 -2.113 15.552
158 2HZ LYS 21 2HZ LYS 21 -5.167 -1.207 16.979
159 3HZ LYS 21 3HZ LYS 21 -3.797 -2.118 16.579
160 H THR 22 H THR 22 -2.045 -1.980 9.572
161 HA THR 22 HA THR 22 -2.677 -4.120 9.408
162 HB THR 22 HB THR 22 -4.181 -5.099 10.859
163 HG1 THR 22 1HG THR 22 -5.602 -2.706 10.638
164 1HG2 THR 22 1HG2 THR 22 -2.720 -2.869 11.981
165 2HG2 THR 22 2HG2 THR 22 -2.951 -4.505 12.597
166 3HG2 THR 22 3HG2 THR 22 -4.163 -3.264 12.907
167 H GLN 23 H GLN 23 -3.983 -1.760 7.733
168 HA GLN 23 HA GLN 23 -6.403 -3.008 6.850
169 1HB GLN 23 2HB GLN 23 -5.041 -0.538 6.269
170 2HB GLN 23 1HB GLN 23 -5.462 -1.348 4.766
171 1HG GLN 23 2HG GLN 23 -7.610 -1.305 6.752
172 2HG GLN 23 1HG GLN 23 -7.107 0.286 6.184
173 1HE2 GLN 23 1HE2 GLN 23 -8.519 0.934 4.722
174 2HE2 GLN 23 2HE2 GLN 23 -9.123 -0.007 3.404
175 H ILE 24 H ILE 24 -6.749 -3.897 4.684
176 HA ILE 24 HA ILE 24 -4.402 -5.415 3.826
177 HB ILE 24 HB ILE 24 -6.470 -6.654 4.428
178 1HG1 ILE 24 2HG1 ILE 24 -6.464 -8.107 2.408
179 2HG1 ILE 24 1HG1 ILE 24 -5.539 -6.868 1.562
180 1HG2 ILE 24 1HG2 ILE 24 -7.801 -4.718 3.057
181 2HG2 ILE 24 2HG2 ILE 24 -8.481 -6.278 3.522
182 3HG2 ILE 24 3HG2 ILE 24 -7.817 -6.047 1.903
183 1HD1 ILE 24 1HD1 ILE 24 -4.701 -8.687 3.757
184 2HD1 ILE 24 2HD1 ILE 24 -3.915 -7.122 3.584
185 3HD1 ILE 24 3HD1 ILE 24 -3.879 -8.270 2.262
186 H LEU 25 H LEU 25 -3.335 -4.850 2.010
187 HA LEU 25 HA LEU 25 -4.775 -3.127 0.112
188 1HB LEU 25 2HB LEU 25 -1.793 -3.241 0.490
189 2HB LEU 25 1HB LEU 25 -2.691 -2.105 -0.499
190 HG LEU 25 HG LEU 25 -2.976 -2.268 2.496
191 1HD1 LEU 25 1HD1 LEU 25 -0.654 -1.700 1.786
192 2HD1 LEU 25 2HD1 LEU 25 -1.474 -0.419 2.682
193 3HD1 LEU 25 3HD1 LEU 25 -1.313 -0.308 0.929
194 1HD2 LEU 25 1HD2 LEU 25 -3.535 0.288 1.400
195 2HD2 LEU 25 2HD2 LEU 25 -4.641 -0.833 2.195
196 3HD2 LEU 25 3HD2 LEU 25 -4.413 -0.912 0.450
197 H LYS 26 H LYS 26 -4.713 -3.432 -2.029
198 HA LYS 26 HA LYS 26 -4.073 -6.083 -3.007
199 1HB LYS 26 2HB LYS 26 -5.279 -3.594 -4.196
200 2HB LYS 26 1HB LYS 26 -5.018 -5.061 -5.129
201 1HG LYS 26 2HG LYS 26 -6.598 -5.123 -2.591
202 2HG LYS 26 1HG LYS 26 -7.339 -4.613 -4.107
203 1HD LYS 26 2HD LYS 26 -7.307 -6.701 -4.980
204 2HD LYS 26 1HD LYS 26 -5.780 -7.120 -4.199
205 1HE LYS 26 2HE LYS 26 -7.115 -7.151 -2.020
206 2HE LYS 26 1HE LYS 26 -8.552 -7.150 -3.041
207 1HZ LYS 26 1HZ LYS 26 -6.782 -9.123 -3.972
208 2HZ LYS 26 2HZ LYS 26 -8.325 -9.322 -3.306
209 3HZ LYS 26 3HZ LYS 26 -6.967 -9.322 -2.301
210 H ILE 27 H ILE 27 -1.828 -6.263 -3.211
211 HA ILE 27 HA ILE 27 -0.236 -4.150 -4.344
212 HB ILE 27 HB ILE 27 0.312 -6.904 -3.346
213 1HG1 ILE 27 2HG1 ILE 27 0.327 -4.888 -1.891
214 2HG1 ILE 27 1HG1 ILE 27 1.867 -5.744 -1.916
215 1HG2 ILE 27 1HG2 ILE 27 1.525 -6.539 -5.606
216 2HG2 ILE 27 2HG2 ILE 27 2.449 -7.100 -4.218
217 3HG2 ILE 27 3HG2 ILE 27 2.528 -5.407 -4.695
218 1HD1 ILE 27 1HD1 ILE 27 1.524 -3.530 -3.845
219 2HD1 ILE 27 2HD1 ILE 27 2.945 -4.046 -2.944
220 3HD1 ILE 27 3HD1 ILE 27 1.685 -3.107 -2.142
221 H LEU 28 H LEU 28 0.251 -3.803 -6.456
222 HA LEU 28 HA LEU 28 -0.095 -6.002 -8.339
223 1HB LEU 28 2HB LEU 28 -1.579 -4.716 -9.792
224 2HB LEU 28 1HB LEU 28 -2.297 -5.069 -8.232
225 HG LEU 28 HG LEU 28 -0.928 -2.475 -8.375
226 1HD1 LEU 28 1HD1 LEU 28 -3.056 -3.217 -10.295
227 2HD1 LEU 28 2HD1 LEU 28 -1.746 -2.043 -10.444
228 3HD1 LEU 28 3HD1 LEU 28 -3.183 -1.649 -9.500
229 1HD2 LEU 28 1HD2 LEU 28 -3.225 -3.746 -7.078
230 2HD2 LEU 28 2HD2 LEU 28 -3.484 -2.067 -7.547
231 3HD2 LEU 28 3HD2 LEU 28 -2.139 -2.487 -6.495
232 H ASN 29 H ASN 29 1.433 -2.930 -7.605
233 HA ASN 29 HA ASN 29 3.139 -3.497 -9.889
234 1HB ASN 29 2HB ASN 29 1.376 -2.019 -10.814
235 2HB ASN 29 1HB ASN 29 1.799 -0.804 -9.623
236 1HD2 ASN 29 1HD2 ASN 29 3.839 0.208 -9.758
237 2HD2 ASN 29 2HD2 ASN 29 4.664 0.308 -11.269
238 H MET 30 H MET 30 4.825 -3.742 -9.057
239 HA MET 30 HA MET 30 6.182 -1.761 -7.357
240 1HB MET 30 2HB MET 30 5.455 -3.720 -6.055
241 2HB MET 30 1HB MET 30 6.414 -4.738 -7.116
242 1HG MET 30 2HG MET 30 8.233 -2.863 -6.363
243 2HG MET 30 1HG MET 30 7.228 -2.993 -4.925
244 1HE MET 30 1HE MET 30 7.949 -5.519 -7.640
245 2HE MET 30 2HE MET 30 8.929 -6.768 -6.877
246 3HE MET 30 3HE MET 30 9.667 -5.241 -7.361
247 H GLU 31 H GLU 31 8.079 -1.155 -8.200
248 HA GLU 31 HA GLU 31 10.090 -2.466 -8.957
249 1HB GLU 31 2HB GLU 31 10.325 -3.065 -11.264
250 2HB GLU 31 1HB GLU 31 8.929 -3.864 -10.572
251 1HG GLU 31 2HG GLU 31 7.661 -3.070 -12.194
252 2HG GLU 31 1HG GLU 31 8.049 -1.420 -11.705
253 H ASP 32 H ASP 32 8.398 0.175 -10.361
254 HA ASP 32 HA ASP 32 10.808 1.469 -11.248
255 1HB ASP 32 2HB ASP 32 7.915 2.254 -11.175
256 2HB ASP 32 1HB ASP 32 9.145 3.497 -11.382
257 H ASP 33 H ASP 33 9.184 1.085 -8.342
258 HA ASP 33 HA ASP 33 10.829 3.168 -7.132
259 1HB ASP 33 2HB ASP 33 7.927 3.223 -7.371
260 2HB ASP 33 1HB ASP 33 8.456 3.347 -5.696
261 H SER 34 H SER 34 12.084 1.381 -6.299
262 HA SER 34 HA SER 34 11.016 -0.804 -4.908
263 1HB SER 34 2HB SER 34 13.365 -0.550 -5.800
264 2HB SER 34 1HB SER 34 13.711 0.459 -4.396
265 HG SER 34 HG SER 34 12.552 -2.051 -3.969
266 H ASN 35 H ASN 35 10.036 1.989 -4.005
267 HA ASN 35 HA ASN 35 10.391 1.443 -1.121
268 1HB ASN 35 2HB ASN 35 11.448 3.678 -2.653
269 2HB ASN 35 1HB ASN 35 10.434 4.205 -1.315
270 1HD2 ASN 35 1HD2 ASN 35 12.820 1.624 -1.834
271 2HD2 ASN 35 2HD2 ASN 35 13.748 1.967 -0.420
272 H TRP 36 H TRP 36 8.547 2.864 -3.702
273 HA TRP 36 HA TRP 36 6.263 3.098 -1.881
274 1HB TRP 36 2HB TRP 36 6.880 4.904 -4.239
275 2HB TRP 36 1HB TRP 36 5.461 5.011 -3.198
276 HD1 TRP 36 HD TRP 36 9.079 6.054 -3.411
277 HE1 TRP 36 1HE TRP 36 9.699 7.473 -1.356
278 HE3 TRP 36 3HE TRP 36 4.880 5.295 -0.587
279 HZ2 TRP 36 2HZ TRP 36 8.563 8.168 1.136
280 HZ3 TRP 36 3HZ TRP 36 4.738 6.376 1.625
281 HH2 TRP 36 HH TRP 36 6.536 7.786 2.457
282 H TYR 37 H TYR 37 4.822 1.601 -2.375
283 HA TYR 37 HA TYR 37 4.905 0.316 -4.990
284 1HB TYR 37 2HB TYR 37 3.653 -0.453 -2.360
285 2HB TYR 37 1HB TYR 37 3.400 -1.369 -3.837
286 HD1 TYR 37 1HD TYR 37 4.285 -3.218 -2.322
287 HD2 TYR 37 2HD TYR 37 6.704 0.008 -3.668
288 HE1 TYR 37 1HE TYR 37 6.293 -4.543 -1.852
289 HE2 TYR 37 2HE TYR 37 8.729 -1.311 -3.197
290 HH TYR 37 HH TYR 37 9.165 -4.030 -3.048
291 H ARG 38 H ARG 38 3.045 -0.247 -6.156
292 HA ARG 38 HA ARG 38 0.896 1.714 -5.878
293 1HB ARG 38 2HB ARG 38 1.479 -0.043 -8.268
294 2HB ARG 38 1HB ARG 38 0.415 1.353 -8.226
295 1HG ARG 38 2HG ARG 38 2.583 2.642 -7.597
296 2HG ARG 38 1HG ARG 38 3.391 1.241 -8.300
297 1HD ARG 38 2HD ARG 38 3.150 2.313 -10.250
298 2HD ARG 38 1HD ARG 38 1.468 1.795 -10.162
299 HE ARG 38 HE ARG 38 2.416 4.418 -9.209
300 1HH1 ARG 38 1HH1 ARG 38 -0.030 2.424 -10.726
301 2HH1 ARG 38 2HH1 ARG 38 -1.062 3.765 -11.088
302 1HH2 ARG 38 1HH2 ARG 38 1.048 6.166 -9.681
303 2HH2 ARG 38 2HH2 ARG 38 -0.458 5.882 -10.490
304 H ALA 39 H ALA 39 -0.552 0.884 -4.578
305 HA ALA 39 HA ALA 39 -1.396 -1.903 -4.979
306 1HB ALA 39 1HB ALA 39 -0.495 -1.501 -2.753
307 2HB ALA 39 2HB ALA 39 -2.229 -1.809 -2.650
308 3HB ALA 39 3HB ALA 39 -1.615 -0.160 -2.520
309 H GLU 40 H GLU 40 -3.750 -2.244 -4.280
310 HA GLU 40 HA GLU 40 -5.336 -0.069 -5.472
311 1HB GLU 40 2HB GLU 40 -5.163 -2.042 -6.943
312 2HB GLU 40 1HB GLU 40 -5.905 -3.022 -5.696
313 1HG GLU 40 2HG GLU 40 -7.893 -2.516 -6.485
314 2HG GLU 40 1HG GLU 40 -7.601 -0.816 -6.122
315 H LEU 41 H LEU 41 -7.325 0.419 -4.650
316 HA LEU 41 HA LEU 41 -8.450 -1.084 -2.449
317 1HB LEU 41 2HB LEU 41 -6.801 0.195 -1.256
318 2HB LEU 41 1HB LEU 41 -7.261 1.665 -2.091
319 HG LEU 41 HG LEU 41 -9.557 1.336 -0.947
320 1HD1 LEU 41 1HD1 LEU 41 -8.512 0.199 1.411
321 2HD1 LEU 41 2HD1 LEU 41 -8.126 -0.908 0.092
322 3HD1 LEU 41 3HD1 LEU 41 -9.798 -0.421 0.380
323 1HD2 LEU 41 1HD2 LEU 41 -8.682 2.461 1.108
324 2HD2 LEU 41 2HD2 LEU 41 -8.136 3.179 -0.407
325 3HD2 LEU 41 3HD2 LEU 41 -7.048 2.143 0.516
326 H ASP 42 H ASP 42 -10.594 -0.949 -2.584
327 HA ASP 42 HA ASP 42 -12.676 -0.324 -3.249
328 1HB ASP 42 2HB ASP 42 -11.441 2.038 -2.314
329 2HB ASP 42 1HB ASP 42 -12.285 2.477 -3.795
330 H GLY 43 H GLY 43 -10.974 2.180 -5.101
331 1HA GLY 43 2HA GLY 43 -11.103 0.654 -7.548
332 2HA GLY 43 1HA GLY 43 -12.257 1.978 -7.472
333 H LYS 44 H LYS 44 -9.039 2.078 -6.011
334 HA LYS 44 HA LYS 44 -8.166 3.983 -8.090
335 1HB LYS 44 2HB LYS 44 -8.148 4.285 -5.088
336 2HB LYS 44 1HB LYS 44 -7.103 5.239 -6.132
337 1HG LYS 44 2HG LYS 44 -9.998 5.212 -6.767
338 2HG LYS 44 1HG LYS 44 -9.481 6.091 -5.327
339 1HD LYS 44 2HD LYS 44 -7.776 6.638 -7.616
340 2HD LYS 44 1HD LYS 44 -9.464 7.043 -7.932
341 1HE LYS 44 2HE LYS 44 -9.364 8.203 -5.617
342 2HE LYS 44 1HE LYS 44 -7.616 8.130 -5.838
343 1HZ LYS 44 1HZ LYS 44 -9.422 9.304 -7.871
344 2HZ LYS 44 2HZ LYS 44 -7.745 9.478 -7.742
345 3HZ LYS 44 3HZ LYS 44 -8.761 10.222 -6.612
346 H GLU 45 H GLU 45 -6.004 3.983 -8.554
347 HA GLU 45 HA GLU 45 -4.339 1.927 -7.254
348 1HB GLU 45 2HB GLU 45 -4.812 1.866 -9.790
349 2HB GLU 45 1HB GLU 45 -3.751 3.264 -9.897
350 1HG GLU 45 2HG GLU 45 -1.870 2.048 -9.452
351 2HG GLU 45 1HG GLU 45 -2.737 0.848 -8.493
352 H GLY 46 H GLY 46 -2.934 2.849 -5.716
353 1HA GLY 46 2HA GLY 46 -1.781 5.463 -6.483
354 2HA GLY 46 1HA GLY 46 -2.497 5.244 -4.902
355 H LEU 47 H LEU 47 -0.144 6.218 -4.739
356 HA LEU 47 HA LEU 47 1.814 4.067 -4.535
357 1HB LEU 47 2HB LEU 47 3.055 6.403 -3.636
358 2HB LEU 47 1HB LEU 47 3.258 5.623 -5.185
359 HG LEU 47 HG LEU 47 1.132 7.691 -4.707
360 1HD1 LEU 47 1HD1 LEU 47 3.532 8.536 -6.146
361 2HD1 LEU 47 2HD1 LEU 47 3.780 8.239 -4.426
362 3HD1 LEU 47 3HD1 LEU 47 2.558 9.396 -4.954
363 1HD2 LEU 47 1HD2 LEU 47 1.560 7.960 -7.224
364 2HD2 LEU 47 2HD2 LEU 47 0.654 6.549 -6.680
365 3HD2 LEU 47 3HD2 LEU 47 2.357 6.393 -7.111
366 H ILE 48 H ILE 48 2.786 3.527 -2.515
367 HA ILE 48 HA ILE 48 1.781 4.871 -0.123
368 HB ILE 48 HB ILE 48 1.033 2.787 0.933
369 1HG1 ILE 48 2HG1 ILE 48 0.536 1.056 -1.165
370 2HG1 ILE 48 1HG1 ILE 48 2.154 1.655 -1.522
371 1HG2 ILE 48 1HG2 ILE 48 -1.083 2.815 -0.007
372 2HG2 ILE 48 2HG2 ILE 48 -0.462 3.015 -1.646
373 3HG2 ILE 48 3HG2 ILE 48 -0.426 4.368 -0.516
374 1HD1 ILE 48 1HD1 ILE 48 1.830 -0.466 -0.062
375 2HD1 ILE 48 2HD1 ILE 48 1.516 0.701 1.223
376 3HD1 ILE 48 3HD1 ILE 48 3.058 0.725 0.368
377 HA PRO 49 HA PRO 49 5.797 4.277 1.591
378 1HB PRO 49 2HB PRO 49 4.982 3.598 4.174
379 2HB PRO 49 1HB PRO 49 5.349 5.211 3.568
380 1HG PRO 49 2HG PRO 49 2.714 3.872 3.899
381 2HG PRO 49 1HG PRO 49 3.146 5.572 4.093
382 1HD PRO 49 2HD PRO 49 1.815 4.696 1.932
383 2HD PRO 49 1HD PRO 49 3.007 6.005 1.814
384 H SER 50 H SER 50 7.114 2.608 1.486
385 HA SER 50 HA SER 50 6.204 -0.123 1.318
386 1HB SER 50 2HB SER 50 8.387 1.199 0.362
387 2HB SER 50 1HB SER 50 9.077 0.369 1.750
388 HG SER 50 HG SER 50 7.419 -1.125 0.091
389 H ASN 51 H ASN 51 7.943 1.752 3.750
390 HA ASN 51 HA ASN 51 8.549 -0.402 5.437
391 1HB ASN 51 2HB ASN 51 8.835 2.458 5.427
392 2HB ASN 51 1HB ASN 51 8.367 1.904 7.030
393 1HD2 ASN 51 1HD2 ASN 51 9.960 1.344 8.313
394 2HD2 ASN 51 2HD2 ASN 51 11.534 0.828 7.821
395 H TYR 52 H TYR 52 5.509 1.128 4.981
396 HA TYR 52 HA TYR 52 4.610 0.447 7.680
397 1HB TYR 52 2HB TYR 52 3.241 1.898 5.411
398 2HB TYR 52 1HB TYR 52 2.447 1.499 6.930
399 HD1 TYR 52 1HD TYR 52 2.047 3.590 7.900
400 HD2 TYR 52 2HD TYR 52 5.929 2.716 6.399
401 HE1 TYR 52 1HE TYR 52 2.904 5.667 8.904
402 HE2 TYR 52 2HE TYR 52 6.789 4.783 7.397
403 HH TYR 52 HH TYR 52 5.671 6.328 9.671
404 H ILE 53 H ILE 53 4.913 -1.067 4.728
405 HA ILE 53 HA ILE 53 2.987 -3.037 5.573
406 HB ILE 53 HB ILE 53 1.596 -2.872 3.830
407 1HG1 ILE 53 2HG1 ILE 53 2.751 -2.415 1.410
408 2HG1 ILE 53 1HG1 ILE 53 4.058 -3.238 2.247
409 1HG2 ILE 53 1HG2 ILE 53 1.961 -0.793 2.302
410 2HG2 ILE 53 2HG2 ILE 53 3.221 -0.401 3.462
411 3HG2 ILE 53 3HG2 ILE 53 1.557 -0.577 4.001
412 1HD1 ILE 53 1HD1 ILE 53 1.464 -4.248 1.307
413 2HD1 ILE 53 2HD1 ILE 53 2.011 -4.858 2.864
414 3HD1 ILE 53 3HD1 ILE 53 3.019 -5.061 1.437
415 H GLU 54 H GLU 54 3.233 -5.108 4.433
416 HA GLU 54 HA GLU 54 5.850 -5.651 3.241
417 1HB GLU 54 2HB GLU 54 5.205 -6.202 5.933
418 2HB GLU 54 1HB GLU 54 5.134 -7.739 5.088
419 1HG GLU 54 2HG GLU 54 7.366 -7.719 4.578
420 2HG GLU 54 1HG GLU 54 7.478 -5.961 4.650
421 H MET 55 H MET 55 5.845 -7.610 1.979
422 HA MET 55 HA MET 55 3.450 -8.172 0.670
423 1HB MET 55 2HB MET 55 4.878 -10.425 0.144
424 2HB MET 55 1HB MET 55 5.042 -8.910 -0.726
425 1HG MET 55 2HG MET 55 7.203 -9.830 -0.148
426 2HG MET 55 1HG MET 55 6.939 -8.297 0.676
427 1HE MET 55 1HE MET 55 9.116 -9.839 1.186
428 2HE MET 55 2HE MET 55 9.030 -11.334 2.118
429 3HE MET 55 3HE MET 55 9.215 -9.790 2.948
430 H LYS 56 H LYS 56 1.766 -9.348 1.155
431 HA LYS 56 HA LYS 56 1.856 -11.137 3.419
432 1HB LYS 56 2HB LYS 56 -0.100 -9.325 2.693
433 2HB LYS 56 1HB LYS 56 -0.732 -10.832 2.053
434 1HG LYS 56 2HG LYS 56 0.070 -10.280 4.908
435 2HG LYS 56 1HG LYS 56 -1.575 -10.396 4.288
436 1HD LYS 56 2HD LYS 56 -0.655 -12.777 3.499
437 2HD LYS 56 1HD LYS 56 0.390 -12.531 4.892
438 1HE LYS 56 2HE LYS 56 -2.413 -11.897 5.398
439 2HE LYS 56 1HE LYS 56 -2.149 -13.575 4.922
440 1HZ LYS 56 1HZ LYS 56 -1.793 -12.529 7.421
441 2HZ LYS 56 2HZ LYS 56 -0.218 -12.693 6.827
442 3HZ LYS 56 3HZ LYS 56 -1.248 -14.035 6.880
443 H ASN 57 H ASN 57 -0.384 -12.681 2.326
444 HA ASN 57 HA ASN 57 -0.632 -14.649 1.195
445 1HB ASN 57 2HB ASN 57 0.406 -12.652 -0.728
446 2HB ASN 57 1HB ASN 57 0.441 -14.327 -1.257
447 1HD2 ASN 57 1HD2 ASN 57 -2.080 -14.615 0.622
448 2HD2 ASN 57 2HD2 ASN 57 -3.352 -14.072 -0.406
449 H HIS 58 H HIS 58 1.363 -14.818 2.921
450 HA HIS 58 HA HIS 58 3.083 -16.776 1.668
451 1HB HIS 58 2HB HIS 58 4.040 -14.173 1.914
452 2HB HIS 58 1HB HIS 58 4.755 -15.024 3.279
453 HD1 HIS 58 1HD HIS 58 6.068 -17.325 2.560
454 HD2 HIS 58 2HD HIS 58 5.377 -14.516 -0.421
455 HE1 HIS 58 1HE HIS 58 7.683 -17.888 0.720
456 HE2 HIS 58 2HE HIS 58 7.304 -16.128 -1.039
457 H ASP 59 H ASP 59 1.045 -16.197 3.996
458 HA ASP 59 HA ASP 59 2.510 -17.817 5.964
459 1HB ASP 59 2HB ASP 59 2.101 -15.308 6.556
460 2HB ASP 59 1HB ASP 59 0.440 -15.824 6.829