NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
12050 |
1sg7   |
6117 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA PRO 22 HA PRO 22 2.867 -7.634 4.602
2 1HB PRO 22 1HB PRO 22 4.134 -5.718 2.792
3 2HB PRO 22 2HB PRO 22 3.841 -7.441 2.564
4 1HG PRO 22 1HG PRO 22 2.494 -5.587 1.182
5 2HG PRO 22 2HG PRO 22 1.746 -7.109 1.682
6 1HD PRO 22 1HD PRO 22 1.507 -4.400 2.925
7 2HD PRO 22 2HD PRO 22 0.248 -5.601 2.591
8 H TYR 23 H TYR 23 2.513 -4.246 5.091
9 HA TYR 23 HA TYR 23 5.004 -4.188 6.657
10 1HB TYR 23 1HB TYR 23 3.600 -1.830 5.389
11 2HB TYR 23 2HB TYR 23 5.165 -1.819 6.201
12 HD1 TYR 23 HD1 TYR 23 4.260 -1.067 3.251
13 HD2 TYR 23 HD2 TYR 23 6.240 -4.390 5.020
14 HE1 TYR 23 HE1 TYR 23 5.382 -1.531 1.113
15 HE2 TYR 23 HE2 TYR 23 7.357 -4.866 2.893
16 HH TYR 23 HH TYR 23 7.419 -2.651 0.321
17 H LYS 24 H LYS 24 4.905 -3.361 8.756
18 HA LYS 24 HA LYS 24 2.178 -2.873 9.743
19 1HB LYS 24 1HB LYS 24 4.076 -4.789 10.544
20 2HB LYS 24 2HB LYS 24 3.983 -3.613 11.846
21 1HG LYS 24 1HG LYS 24 2.433 -5.602 11.997
22 2HG LYS 24 2HG LYS 24 1.698 -4.012 12.193
23 1HD LYS 24 1HD LYS 24 1.678 -4.751 9.412
24 2HD LYS 24 2HD LYS 24 0.969 -6.045 10.380
25 1HE LYS 24 1HE LYS 24 -0.022 -3.585 11.377
26 2HE LYS 24 2HE LYS 24 -0.168 -3.548 9.620
27 1HZ LYS 24 1HZ LYS 24 -2.034 -4.696 9.964
28 2HZ LYS 24 2HZ LYS 24 -1.615 -5.120 11.547
29 3HZ LYS 24 3HZ LYS 24 -1.034 -6.031 10.245
30 H THR 25 H THR 25 5.596 -1.915 10.217
31 HA THR 25 HA THR 25 4.562 0.604 11.321
32 HB THR 25 HB THR 25 6.387 0.708 12.879
33 HG1 THR 25 HG1 THR 25 7.257 -1.784 11.850
34 1HG2 THR 25 1HG2 THR 25 6.021 -1.933 13.708
35 2HG2 THR 25 2HG2 THR 25 4.506 -1.453 12.942
36 3HG2 THR 25 3HG2 THR 25 5.166 -0.497 14.271
37 H LYS 26 H LYS 26 7.527 -0.858 9.965
38 HA LYS 26 HA LYS 26 7.769 0.853 7.767
39 1HB LYS 26 1HB LYS 26 8.151 2.453 9.803
40 2HB LYS 26 2HB LYS 26 9.730 1.692 9.882
41 1HG LYS 26 1HG LYS 26 10.457 2.703 7.995
42 2HG LYS 26 2HG LYS 26 8.858 2.708 7.248
43 1HD LYS 26 1HD LYS 26 9.433 4.974 7.737
44 2HD LYS 26 2HD LYS 26 8.191 4.480 8.886
45 1HE LYS 26 1HE LYS 26 9.699 4.369 10.650
46 2HE LYS 26 2HE LYS 26 11.093 4.239 9.577
47 1HZ LYS 26 1HZ LYS 26 10.735 6.549 8.918
48 2HZ LYS 26 2HZ LYS 26 10.989 6.419 10.585
49 3HZ LYS 26 3HZ LYS 26 9.426 6.666 9.986
50 H SER 27 H SER 27 9.820 -0.575 10.311
51 HA SER 27 HA SER 27 11.974 -1.312 8.718
52 1HB SER 27 1HB SER 27 10.982 -2.985 11.024
53 2HB SER 27 2HB SER 27 12.645 -2.737 10.494
54 HG SER 27 HG SER 27 10.944 -0.988 11.895
55 H ASP 28 H ASP 28 8.810 -2.653 8.917
56 HA ASP 28 HA ASP 28 9.300 -5.262 7.987
57 1HB ASP 28 1HB ASP 28 6.893 -3.460 7.955
58 2HB ASP 28 2HB ASP 28 6.843 -5.059 7.222
59 H LEU 29 H LEU 29 9.506 -2.253 6.382
60 HA LEU 29 HA LEU 29 8.683 -2.894 3.801
61 1HB LEU 29 1HB LEU 29 10.830 -1.017 4.762
62 2HB LEU 29 2HB LEU 29 10.315 -1.116 3.089
63 HG LEU 29 HG LEU 29 8.502 -0.401 5.389
64 1HD1 LEU 29 1HD1 LEU 29 9.184 1.615 3.371
65 2HD1 LEU 29 2HD1 LEU 29 10.505 1.157 4.450
66 3HD1 LEU 29 3HD1 LEU 29 8.984 1.768 5.118
67 1HD2 LEU 29 1HD2 LEU 29 6.798 -0.407 3.947
68 2HD2 LEU 29 2HD2 LEU 29 7.845 -1.373 2.906
69 3HD2 LEU 29 3HD2 LEU 29 7.751 0.373 2.686
70 HA PRO 30 HA PRO 30 11.686 -5.518 1.975
71 1HB PRO 30 1HB PRO 30 12.015 -3.723 -0.316
72 2HB PRO 30 2HB PRO 30 11.325 -5.336 -0.263
73 1HG PRO 30 1HG PRO 30 9.812 -3.173 -0.668
74 2HG PRO 30 2HG PRO 30 9.234 -4.552 0.266
75 1HD PRO 30 1HD PRO 30 10.305 -1.939 1.245
76 2HD PRO 30 2HD PRO 30 8.905 -2.864 1.812
77 H GLU 31 H GLU 31 13.800 -5.890 2.039
78 HA GLU 31 HA GLU 31 15.614 -4.138 3.154
79 1HB GLU 31 1HB GLU 31 17.391 -5.645 2.264
80 2HB GLU 31 2HB GLU 31 16.082 -6.494 3.074
81 1HG GLU 31 1HG GLU 31 15.316 -6.401 0.406
82 2HG GLU 31 2HG GLU 31 17.043 -6.743 0.371
83 H SER 32 H SER 32 15.206 -4.855 -0.321
84 HA SER 32 HA SER 32 17.163 -3.101 -1.277
85 1HB SER 32 1HB SER 32 15.814 -4.886 -2.538
86 2HB SER 32 2HB SER 32 14.587 -3.642 -2.740
87 HG SER 32 HG SER 32 17.283 -3.194 -3.454
88 H VAL 33 H VAL 33 14.218 -2.453 0.242
89 HA VAL 33 HA VAL 33 13.942 0.208 -0.919
90 HB VAL 33 HB VAL 33 12.198 -1.275 1.067
91 1HG1 VAL 33 1HG1 VAL 33 12.164 1.251 1.205
92 2HG1 VAL 33 2HG1 VAL 33 10.614 0.481 0.870
93 3HG1 VAL 33 3HG1 VAL 33 11.517 1.248 -0.436
94 1HG2 VAL 33 1HG2 VAL 33 11.639 -0.656 -1.827
95 2HG2 VAL 33 2HG2 VAL 33 10.711 -1.691 -0.741
96 3HG2 VAL 33 3HG2 VAL 33 12.320 -2.186 -1.272
97 H LYS 34 H LYS 34 14.166 -1.317 2.291
98 HA LYS 34 HA LYS 34 14.616 1.075 3.727
99 1HB LYS 34 1HB LYS 34 15.473 -1.733 4.461
100 2HB LYS 34 2HB LYS 34 15.248 -0.385 5.569
101 1HG LYS 34 1HG LYS 34 12.883 -0.385 5.180
102 2HG LYS 34 2HG LYS 34 13.047 -1.594 3.907
103 1HD LYS 34 1HD LYS 34 13.654 -1.982 6.839
104 2HD LYS 34 2HD LYS 34 12.263 -2.624 5.967
105 1HE LYS 34 1HE LYS 34 13.556 -4.166 4.792
106 2HE LYS 34 2HE LYS 34 15.049 -3.282 5.082
107 1HZ LYS 34 1HZ LYS 34 14.563 -3.848 7.537
108 2HZ LYS 34 2HZ LYS 34 15.226 -5.035 6.532
109 3HZ LYS 34 3HZ LYS 34 13.575 -5.063 6.897
110 H HIS 35 H HIS 35 16.736 -1.091 1.973
111 HA HIS 35 HA HIS 35 19.184 -0.061 3.123
112 1HB HIS 35 1HB HIS 35 18.432 -2.310 1.510
113 2HB HIS 35 2HB HIS 35 19.755 -1.465 0.730
114 HD2 HIS 35 HD2 HIS 35 19.169 -3.976 3.513
115 HE1 HIS 35 HE1 HIS 35 23.130 -2.541 4.020
116 HE2 HIS 35 HE2 HIS 35 21.436 -4.269 4.722
117 H VAL 36 H VAL 36 17.139 1.489 1.342
118 HA VAL 36 HA VAL 36 19.179 2.986 -0.147
119 HB VAL 36 HB VAL 36 17.589 3.137 -2.072
120 1HG1 VAL 36 1HG1 VAL 36 19.482 1.291 -1.598
121 2HG1 VAL 36 2HG1 VAL 36 18.525 1.324 -3.081
122 3HG1 VAL 36 3HG1 VAL 36 18.081 0.231 -1.771
123 1HG2 VAL 36 1HG2 VAL 36 15.782 1.487 -2.225
124 2HG2 VAL 36 2HG2 VAL 36 15.552 2.552 -0.838
125 3HG2 VAL 36 3HG2 VAL 36 16.167 0.913 -0.598
126 H LEU 37 H LEU 37 15.989 2.781 1.339
127 HA LEU 37 HA LEU 37 15.461 5.587 0.961
128 1HB LEU 37 1HB LEU 37 13.971 3.256 1.909
129 2HB LEU 37 2HB LEU 37 13.624 4.720 2.805
130 HG LEU 37 HG LEU 37 12.477 5.647 1.096
131 1HD1 LEU 37 1HD1 LEU 37 14.534 4.451 -0.707
132 2HD1 LEU 37 2HD1 LEU 37 14.181 6.151 -0.394
133 3HD1 LEU 37 3HD1 LEU 37 13.056 5.175 -1.345
134 1HD2 LEU 37 1HD2 LEU 37 12.374 3.024 -0.273
135 2HD2 LEU 37 2HD2 LEU 37 11.075 4.153 0.118
136 3HD2 LEU 37 3HD2 LEU 37 11.784 3.151 1.384
137 HA PRO 38 HA PRO 38 17.780 7.131 4.296
138 1HB PRO 38 1HB PRO 38 15.640 9.214 4.173
139 2HB PRO 38 2HB PRO 38 17.398 9.402 4.153
140 1HG PRO 38 1HG PRO 38 16.074 9.646 1.891
141 2HG PRO 38 2HG PRO 38 17.558 8.680 1.920
142 1HD PRO 38 1HD PRO 38 14.706 7.751 1.973
143 2HD PRO 38 2HD PRO 38 16.076 7.162 1.006
144 H SER 39 H SER 39 14.531 8.313 5.118
145 HA SER 39 HA SER 39 14.365 6.463 7.350
146 1HB SER 39 1HB SER 39 14.000 8.407 8.954
147 2HB SER 39 2HB SER 39 15.660 8.150 8.414
148 HG SER 39 HG SER 39 14.886 10.373 8.344
149 H HIS 40 H HIS 40 12.834 9.632 6.888
150 HA HIS 40 HA HIS 40 10.239 8.701 7.393
151 1HB HIS 40 1HB HIS 40 11.095 11.105 7.453
152 2HB HIS 40 2HB HIS 40 10.852 11.120 5.709
153 HD2 HIS 40 HD2 HIS 40 8.884 13.153 6.484
154 HE1 HIS 40 HE1 HIS 40 6.028 10.209 7.567
155 HE2 HIS 40 HE2 HIS 40 6.425 12.658 7.119
156 H ALA 41 H ALA 41 12.161 8.264 4.636
157 HA ALA 41 HA ALA 41 10.146 8.294 2.632
158 1HB ALA 41 1HB ALA 41 12.662 6.657 2.518
159 2HB ALA 41 2HB ALA 41 12.679 8.402 2.315
160 3HB ALA 41 3HB ALA 41 11.770 7.400 1.190
161 H GLN 42 H GLN 42 11.273 5.953 4.943
162 HA GLN 42 HA GLN 42 10.063 3.671 3.721
163 1HB GLN 42 1HB GLN 42 10.840 4.096 6.620
164 2HB GLN 42 2HB GLN 42 10.595 2.554 5.815
165 1HG GLN 42 1HG GLN 42 12.641 2.542 4.949
166 2HG GLN 42 2HG GLN 42 12.515 4.227 4.435
167 1HE2 GLN 42 1HE2 GLN 42 14.860 3.965 5.110
168 2HE2 GLN 42 2HE2 GLN 42 15.243 4.364 6.746
169 H ASP 43 H ASP 43 9.117 6.055 6.124
170 HA ASP 43 HA ASP 43 6.655 4.822 6.846
171 1HB ASP 43 1HB ASP 43 7.834 6.649 8.155
172 2HB ASP 43 2HB ASP 43 7.305 7.781 6.914
173 H ILE 44 H ILE 44 7.664 7.297 4.575
174 HA ILE 44 HA ILE 44 5.205 7.920 3.382
175 HB ILE 44 HB ILE 44 8.040 7.886 2.314
176 1HG1 ILE 44 1HG1 ILE 44 6.172 10.153 3.025
177 2HG1 ILE 44 2HG1 ILE 44 7.406 9.516 4.098
178 1HG2 ILE 44 1HG2 ILE 44 6.528 7.582 0.407
179 2HG2 ILE 44 2HG2 ILE 44 7.221 9.203 0.392
180 3HG2 ILE 44 3HG2 ILE 44 5.560 8.960 0.932
181 1HD1 ILE 44 1HD1 ILE 44 8.886 10.061 1.921
182 2HD1 ILE 44 2HD1 ILE 44 8.624 11.191 3.250
183 3HD1 ILE 44 3HD1 ILE 44 7.645 11.301 1.790
184 H TYR 45 H TYR 45 7.727 5.655 2.454
185 HA TYR 45 HA TYR 45 6.529 4.410 0.303
186 1HB TYR 45 1HB TYR 45 8.889 4.099 1.106
187 2HB TYR 45 2HB TYR 45 8.246 3.022 2.336
188 HD1 TYR 45 HD1 TYR 45 6.574 1.164 1.291
189 HD2 TYR 45 HD2 TYR 45 9.749 3.100 -0.758
190 HE1 TYR 45 HE1 TYR 45 6.655 -0.694 -0.314
191 HE2 TYR 45 HE2 TYR 45 9.843 1.249 -2.369
192 HH TYR 45 HH TYR 45 9.226 -1.058 -2.565
193 H LYS 46 H LYS 46 6.597 3.195 3.655
194 HA LYS 46 HA LYS 46 4.798 1.108 3.282
195 1HB LYS 46 1HB LYS 46 6.176 1.165 5.232
196 2HB LYS 46 2HB LYS 46 5.506 2.710 5.737
197 1HG LYS 46 1HG LYS 46 3.296 1.555 6.001
198 2HG LYS 46 2HG LYS 46 4.144 0.034 5.727
199 1HD LYS 46 1HD LYS 46 4.697 -0.028 7.879
200 2HD LYS 46 2HD LYS 46 5.607 1.470 7.674
201 1HE LYS 46 1HE LYS 46 3.836 1.502 9.468
202 2HE LYS 46 2HE LYS 46 3.735 2.794 8.271
203 1HZ LYS 46 1HZ LYS 46 2.236 0.495 7.489
204 2HZ LYS 46 2HZ LYS 46 1.735 2.104 7.641
205 3HZ LYS 46 3HZ LYS 46 1.726 1.085 8.991
206 H GLU 47 H GLU 47 4.139 4.356 4.619
207 HA GLU 47 HA GLU 47 1.396 4.035 4.971
208 1HB GLU 47 1HB GLU 47 3.013 6.508 4.404
209 2HB GLU 47 2HB GLU 47 1.302 6.537 4.808
210 1HG GLU 47 1HG GLU 47 2.301 5.019 6.819
211 2HG GLU 47 2HG GLU 47 3.635 6.131 6.518
212 H ALA 48 H ALA 48 3.218 4.987 2.130
213 HA ALA 48 HA ALA 48 0.899 5.630 0.571
214 1HB ALA 48 1HB ALA 48 2.586 5.425 -1.350
215 2HB ALA 48 2HB ALA 48 3.796 5.217 -0.082
216 3HB ALA 48 3HB ALA 48 2.842 6.698 -0.157
217 H PHE 49 H PHE 49 2.983 2.844 1.010
218 HA PHE 49 HA PHE 49 1.884 1.194 -0.987
219 1HB PHE 49 1HB PHE 49 4.009 0.654 0.083
220 2HB PHE 49 2HB PHE 49 3.213 0.480 1.632
221 HD1 PHE 49 HD1 PHE 49 1.277 -1.343 1.658
222 HD2 PHE 49 HD2 PHE 49 4.475 -1.202 -1.146
223 HE1 PHE 49 HE1 PHE 49 0.946 -3.729 1.161
224 HE2 PHE 49 HE2 PHE 49 4.143 -3.585 -1.638
225 HZ PHE 49 HZ PHE 49 2.373 -4.846 -0.498
226 H ASN 50 H ASN 50 1.265 1.313 2.532
227 HA ASN 50 HA ASN 50 -0.805 -0.531 2.628
228 1HB ASN 50 1HB ASN 50 0.108 1.721 4.331
229 2HB ASN 50 2HB ASN 50 -1.541 1.163 4.594
230 1HD2 ASN 50 1HD2 ASN 50 1.660 -0.257 4.011
231 2HD2 ASN 50 2HD2 ASN 50 1.542 -1.455 5.249
232 H SER 51 H SER 51 -0.863 2.946 1.982
233 HA SER 51 HA SER 51 -3.623 3.344 1.911
234 1HB SER 51 1HB SER 51 -1.662 5.055 1.719
235 2HB SER 51 2HB SER 51 -1.781 4.745 -0.013
236 HG SER 51 HG SER 51 -3.429 6.030 -0.033
237 H ALA 52 H ALA 52 -1.373 2.391 -0.665
238 HA ALA 52 HA ALA 52 -3.407 2.133 -2.654
239 1HB ALA 52 1HB ALA 52 -1.127 2.547 -3.320
240 2HB ALA 52 2HB ALA 52 -1.650 0.995 -3.969
241 3HB ALA 52 3HB ALA 52 -0.593 1.051 -2.558
242 H TRP 53 H TRP 53 -2.047 0.087 -0.205
243 HA TRP 53 HA TRP 53 -2.931 -2.415 -1.214
244 1HB TRP 53 1HB TRP 53 -1.249 -2.549 0.416
245 2HB TRP 53 2HB TRP 53 -2.022 -1.367 1.456
246 HD1 TRP 53 HD1 TRP 53 -1.844 -5.081 0.766
247 HE1 TRP 53 HE1 TRP 53 -3.137 -6.347 2.580
248 HE3 TRP 53 HE3 TRP 53 -4.133 -1.115 3.049
249 HZ2 TRP 53 HZ2 TRP 53 -4.913 -5.755 4.698
250 HZ3 TRP 53 HZ3 TRP 53 -5.613 -1.555 4.963
251 HH2 TRP 53 HH2 TRP 53 -5.993 -3.826 5.770
252 H ASP 54 H ASP 54 -4.246 -0.248 1.313
253 HA ASP 54 HA ASP 54 -6.654 -1.678 1.676
254 1HB ASP 54 1HB ASP 54 -5.828 -0.078 3.342
255 2HB ASP 54 2HB ASP 54 -6.015 1.242 2.191
256 H GLN 55 H GLN 55 -5.675 0.920 -0.457
257 HA GLN 55 HA GLN 55 -8.255 1.490 -1.470
258 1HB GLN 55 1HB GLN 55 -5.473 2.054 -2.450
259 2HB GLN 55 2HB GLN 55 -6.872 2.445 -3.441
260 1HG GLN 55 1HG GLN 55 -7.706 3.683 -1.328
261 2HG GLN 55 2HG GLN 55 -6.018 3.621 -0.837
262 1HE2 GLN 55 1HE2 GLN 55 -5.070 5.487 -1.216
263 2HE2 GLN 55 2HE2 GLN 55 -5.271 6.463 -2.628
264 H TYR 56 H TYR 56 -5.906 -0.917 -2.111
265 HA TYR 56 HA TYR 56 -6.859 -1.714 -4.673
266 1HB TYR 56 1HB TYR 56 -4.628 -2.319 -3.198
267 2HB TYR 56 2HB TYR 56 -5.562 -3.801 -3.058
268 HD1 TYR 56 HD1 TYR 56 -4.329 -1.382 -5.597
269 HD2 TYR 56 HD2 TYR 56 -5.460 -5.391 -4.738
270 HE1 TYR 56 HE1 TYR 56 -3.581 -2.068 -7.829
271 HE2 TYR 56 HE2 TYR 56 -4.711 -6.081 -6.966
272 HH TYR 56 HH TYR 56 -4.217 -5.241 -9.100
273 H LYS 57 H LYS 57 -9.157 -1.465 -3.492
274 HA LYS 57 HA LYS 57 -10.005 -3.914 -2.223
275 1HB LYS 57 1HB LYS 57 -11.012 -1.228 -2.479
276 2HB LYS 57 2HB LYS 57 -12.266 -2.389 -2.898
277 1HG LYS 57 1HG LYS 57 -10.820 -3.139 -0.496
278 2HG LYS 57 2HG LYS 57 -11.578 -1.551 -0.362
279 1HD LYS 57 1HD LYS 57 -13.504 -3.158 -1.572
280 2HD LYS 57 2HD LYS 57 -12.777 -4.183 -0.333
281 1HE LYS 57 1HE LYS 57 -13.913 -1.422 0.101
282 2HE LYS 57 2HE LYS 57 -14.699 -2.941 0.532
283 1HZ LYS 57 1HZ LYS 57 -12.434 -1.593 1.805
284 2HZ LYS 57 2HZ LYS 57 -12.455 -3.284 1.826
285 3HZ LYS 57 3HZ LYS 57 -13.735 -2.414 2.508
286 H ASP 58 H ASP 58 -9.328 -3.142 -5.306
287 HA ASP 58 HA ASP 58 -11.591 -4.312 -6.650
288 1HB ASP 58 1HB ASP 58 -9.498 -2.629 -7.379
289 2HB ASP 58 2HB ASP 58 -9.119 -4.142 -8.195
290 H LYS 59 H LYS 59 -8.272 -5.235 -5.874
291 HA LYS 59 HA LYS 59 -8.820 -7.979 -6.775
292 1HB LYS 59 1HB LYS 59 -6.786 -6.492 -7.540
293 2HB LYS 59 2HB LYS 59 -6.111 -7.008 -6.000
294 1HG LYS 59 1HG LYS 59 -5.410 -8.850 -6.991
295 2HG LYS 59 2HG LYS 59 -7.096 -9.321 -7.183
296 1HD LYS 59 1HD LYS 59 -7.086 -7.934 -9.315
297 2HD LYS 59 2HD LYS 59 -5.329 -7.887 -9.147
298 1HE LYS 59 1HE LYS 59 -5.090 -10.014 -9.820
299 2HE LYS 59 2HE LYS 59 -6.473 -10.564 -8.875
300 1HZ LYS 59 1HZ LYS 59 -7.649 -9.146 -10.835
301 2HZ LYS 59 2HZ LYS 59 -7.428 -10.823 -10.862
302 3HZ LYS 59 3HZ LYS 59 -6.327 -9.814 -11.655
303 H GLU 60 H GLU 60 -9.920 -7.158 -4.342
304 HA GLU 60 HA GLU 60 -8.211 -7.993 -2.175
305 1HB GLU 60 1HB GLU 60 -10.976 -6.934 -2.432
306 2HB GLU 60 2HB GLU 60 -10.622 -7.904 -1.009
307 1HG GLU 60 1HG GLU 60 -8.736 -5.724 -1.704
308 2HG GLU 60 2HG GLU 60 -10.310 -5.286 -1.043
309 H ASP 61 H ASP 61 -11.006 -9.322 -3.890
310 HA ASP 61 HA ASP 61 -10.773 -11.800 -2.350
311 1HB ASP 61 1HB ASP 61 -12.991 -10.504 -2.859
312 2HB ASP 61 2HB ASP 61 -12.890 -11.327 -4.413
313 H ARG 62 H ARG 62 -8.885 -10.974 -4.531
314 HA ARG 62 HA ARG 62 -9.370 -13.182 -6.395
315 1HB ARG 62 1HB ARG 62 -7.307 -11.026 -6.749
316 2HB ARG 62 2HB ARG 62 -7.974 -12.103 -7.965
317 1HG ARG 62 1HG ARG 62 -9.644 -10.058 -6.538
318 2HG ARG 62 2HG ARG 62 -8.758 -9.703 -8.023
319 1HD ARG 62 1HD ARG 62 -10.540 -12.094 -7.929
320 2HD ARG 62 2HD ARG 62 -11.259 -10.495 -8.106
321 HE ARG 62 HE ARG 62 -9.155 -11.391 -9.952
322 1HH1 ARG 62 1HH1 ARG 62 -12.447 -10.327 -9.409
323 2HH1 ARG 62 2HH1 ARG 62 -12.772 -10.098 -11.093
324 1HH2 ARG 62 1HH2 ARG 62 -9.595 -11.081 -12.157
325 2HH2 ARG 62 2HH2 ARG 62 -11.161 -10.525 -12.648
326 H ARG 63 H ARG 63 -7.821 -14.699 -6.766
327 HA ARG 63 HA ARG 63 -6.164 -15.421 -4.589
328 1HB ARG 63 1HB ARG 63 -5.263 -17.119 -6.305
329 2HB ARG 63 2HB ARG 63 -6.964 -17.217 -5.866
330 1HG ARG 63 1HG ARG 63 -6.793 -15.457 -8.062
331 2HG ARG 63 2HG ARG 63 -5.786 -16.858 -8.442
332 1HD ARG 63 1HD ARG 63 -8.697 -16.849 -7.660
333 2HD ARG 63 2HD ARG 63 -8.009 -17.305 -9.219
334 HE ARG 63 HE ARG 63 -8.199 -18.934 -6.867
335 1HH1 ARG 63 1HH1 ARG 63 -6.430 -18.398 -9.826
336 2HH1 ARG 63 2HH1 ARG 63 -5.856 -20.029 -9.926
337 1HH2 ARG 63 1HH2 ARG 63 -7.446 -21.072 -6.989
338 2HH2 ARG 63 2HH2 ARG 63 -6.438 -21.552 -8.313
339 H ASP 64 H ASP 64 -5.724 -13.291 -7.187
340 HA ASP 64 HA ASP 64 -2.822 -13.507 -7.206
341 1HB ASP 64 1HB ASP 64 -3.961 -13.199 -9.341
342 2HB ASP 64 2HB ASP 64 -4.705 -11.716 -8.752
343 H ASP 65 H ASP 65 -3.616 -12.810 -4.710
344 HA ASP 65 HA ASP 65 -3.942 -10.087 -4.165
345 1HB ASP 65 1HB ASP 65 -3.079 -12.473 -2.639
346 2HB ASP 65 2HB ASP 65 -2.560 -10.925 -1.983
347 H ALA 66 H ALA 66 -1.112 -11.894 -5.063
348 HA ALA 66 HA ALA 66 0.924 -10.250 -4.112
349 1HB ALA 66 1HB ALA 66 0.919 -12.484 -5.584
350 2HB ALA 66 2HB ALA 66 2.323 -11.422 -5.452
351 3HB ALA 66 3HB ALA 66 1.258 -11.305 -6.852
352 H SER 67 H SER 67 -1.068 -9.981 -7.006
353 HA SER 67 HA SER 67 0.167 -7.867 -8.304
354 1HB SER 67 1HB SER 67 -1.745 -9.157 -9.184
355 2HB SER 67 2HB SER 67 -2.808 -8.358 -8.037
356 HG SER 67 HG SER 67 -1.242 -6.752 -9.701
357 H ARG 68 H ARG 68 -2.252 -7.851 -5.757
358 HA ARG 68 HA ARG 68 -2.587 -5.085 -5.480
359 1HB ARG 68 1HB ARG 68 -4.058 -6.669 -4.343
360 2HB ARG 68 2HB ARG 68 -2.710 -7.257 -3.372
361 1HG ARG 68 1HG ARG 68 -3.384 -4.365 -3.243
362 2HG ARG 68 2HG ARG 68 -4.430 -5.521 -2.417
363 1HD ARG 68 1HD ARG 68 -1.457 -5.159 -2.009
364 2HD ARG 68 2HD ARG 68 -2.745 -4.703 -0.892
365 HE ARG 68 HE ARG 68 -3.192 -7.317 -1.142
366 1HH1 ARG 68 1HH1 ARG 68 -0.235 -5.553 -0.569
367 2HH1 ARG 68 2HH1 ARG 68 0.526 -6.861 0.269
368 1HH2 ARG 68 1HH2 ARG 68 -2.194 -9.030 -0.022
369 2HH2 ARG 68 2HH2 ARG 68 -0.586 -8.829 0.589
370 H GLU 69 H GLU 69 -0.577 -7.227 -3.470
371 HA GLU 69 HA GLU 69 0.860 -5.348 -2.089
372 1HB GLU 69 1HB GLU 69 0.994 -7.775 -1.698
373 2HB GLU 69 2HB GLU 69 1.878 -7.975 -3.205
374 1HG GLU 69 1HG GLU 69 3.778 -6.916 -2.350
375 2HG GLU 69 2HG GLU 69 2.882 -6.227 -1.003
376 H GLU 70 H GLU 70 1.554 -6.719 -5.284
377 HA GLU 70 HA GLU 70 3.921 -5.369 -5.834
378 1HB GLU 70 1HB GLU 70 2.637 -7.241 -7.135
379 2HB GLU 70 2HB GLU 70 1.884 -5.892 -7.973
380 1HG GLU 70 1HG GLU 70 3.727 -6.637 -9.270
381 2HG GLU 70 2HG GLU 70 4.154 -5.077 -8.569
382 H THR 71 H THR 71 0.639 -4.486 -6.959
383 HA THR 71 HA THR 71 1.260 -2.022 -8.053
384 HB THR 71 HB THR 71 -1.232 -2.888 -6.598
385 HG1 THR 71 HG1 THR 71 -1.903 -3.469 -8.524
386 1HG2 THR 71 1HG2 THR 71 -1.679 -0.683 -6.453
387 2HG2 THR 71 2HG2 THR 71 -2.142 -0.913 -8.141
388 3HG2 THR 71 3HG2 THR 71 -0.553 -0.255 -7.742
389 H ALA 72 H ALA 72 0.396 -2.748 -4.672
390 HA ALA 72 HA ALA 72 0.483 -0.161 -3.676
391 1HB ALA 72 1HB ALA 72 0.111 -2.614 -2.558
392 2HB ALA 72 2HB ALA 72 0.305 -1.120 -1.640
393 3HB ALA 72 3HB ALA 72 1.687 -2.174 -1.914
394 H HIS 73 H HIS 73 3.092 -2.493 -4.191
395 HA HIS 73 HA HIS 73 5.247 -1.039 -3.170
396 1HB HIS 73 1HB HIS 73 5.012 -3.063 -5.374
397 2HB HIS 73 2HB HIS 73 6.525 -2.214 -5.153
398 HD2 HIS 73 HD2 HIS 73 4.452 -5.048 -3.498
399 HE1 HIS 73 HE1 HIS 73 8.098 -4.629 -1.360
400 HE2 HIS 73 HE2 HIS 73 5.996 -5.988 -1.646
401 H LYS 74 H LYS 74 3.865 -1.065 -6.441
402 HA LYS 74 HA LYS 74 5.478 0.854 -7.636
403 1HB LYS 74 1HB LYS 74 2.645 -0.037 -8.100
404 2HB LYS 74 2HB LYS 74 3.355 1.250 -9.066
405 1HG LYS 74 1HG LYS 74 4.168 -0.296 -10.410
406 2HG LYS 74 2HG LYS 74 5.228 -0.822 -9.105
407 1HD LYS 74 1HD LYS 74 4.171 -2.794 -9.496
408 2HD LYS 74 2HD LYS 74 3.007 -2.098 -8.372
409 1HE LYS 74 1HE LYS 74 2.851 -2.112 -11.385
410 2HE LYS 74 2HE LYS 74 1.827 -3.007 -10.266
411 1HZ LYS 74 1HZ LYS 74 0.555 -1.219 -9.871
412 2HZ LYS 74 2HZ LYS 74 1.167 -0.659 -11.344
413 3HZ LYS 74 3HZ LYS 74 1.848 -0.133 -9.894
414 H VAL 75 H VAL 75 2.423 1.216 -5.918
415 HA VAL 75 HA VAL 75 2.176 3.995 -6.252
416 HB VAL 75 HB VAL 75 1.092 2.309 -3.998
417 1HG1 VAL 75 1HG1 VAL 75 -0.738 4.185 -4.256
418 2HG1 VAL 75 2HG1 VAL 75 0.614 5.108 -4.910
419 3HG1 VAL 75 3HG1 VAL 75 0.701 4.458 -3.272
420 1HG2 VAL 75 1HG2 VAL 75 0.423 2.559 -6.837
421 2HG2 VAL 75 2HG2 VAL 75 -0.954 2.721 -5.744
422 3HG2 VAL 75 3HG2 VAL 75 0.049 1.269 -5.693
423 H ALA 76 H ALA 76 3.179 2.154 -3.369
424 HA ALA 76 HA ALA 76 3.937 4.197 -1.732
425 1HB ALA 76 1HB ALA 76 4.834 1.399 -2.036
426 2HB ALA 76 2HB ALA 76 4.106 2.219 -0.657
427 3HB ALA 76 3HB ALA 76 5.811 2.467 -1.028
428 H TRP 77 H TRP 77 5.900 2.679 -4.240
429 HA TRP 77 HA TRP 77 8.233 4.189 -3.776
430 1HB TRP 77 1HB TRP 77 7.207 2.530 -5.998
431 2HB TRP 77 2HB TRP 77 8.400 3.747 -6.445
432 HD1 TRP 77 HD1 TRP 77 8.211 0.310 -5.382
433 HE1 TRP 77 HE1 TRP 77 10.450 -0.550 -4.459
434 HE3 TRP 77 HE3 TRP 77 10.548 4.791 -4.722
435 HZ2 TRP 77 HZ2 TRP 77 12.907 0.554 -3.555
436 HZ3 TRP 77 HZ3 TRP 77 12.836 4.814 -3.816
437 HH2 TRP 77 HH2 TRP 77 13.990 2.740 -3.243
438 H ALA 78 H ALA 78 5.405 4.753 -5.845
439 HA ALA 78 HA ALA 78 6.201 7.063 -7.141
440 1HB ALA 78 1HB ALA 78 4.104 5.929 -7.653
441 2HB ALA 78 2HB ALA 78 3.824 7.637 -7.317
442 3HB ALA 78 3HB ALA 78 3.437 6.424 -6.098
443 H ALA 79 H ALA 79 4.746 6.727 -3.914
444 HA ALA 79 HA ALA 79 4.704 9.478 -3.280
445 1HB ALA 79 1HB ALA 79 3.442 8.451 -1.722
446 2HB ALA 79 2HB ALA 79 4.968 8.250 -0.865
447 3HB ALA 79 3HB ALA 79 4.336 6.937 -1.857
448 H VAL 80 H VAL 80 7.022 6.881 -2.752
449 HA VAL 80 HA VAL 80 8.944 8.323 -1.331
450 HB VAL 80 HB VAL 80 9.241 5.910 -3.139
451 1HG1 VAL 80 1HG1 VAL 80 11.234 7.574 -1.887
452 2HG1 VAL 80 2HG1 VAL 80 11.441 6.180 -2.947
453 3HG1 VAL 80 3HG1 VAL 80 11.267 5.947 -1.208
454 1HG2 VAL 80 1HG2 VAL 80 7.782 5.895 -1.010
455 2HG2 VAL 80 2HG2 VAL 80 9.317 5.965 -0.140
456 3HG2 VAL 80 3HG2 VAL 80 8.978 4.621 -1.228
457 H LYS 81 H LYS 81 8.683 7.688 -4.858
458 HA LYS 81 HA LYS 81 10.978 9.163 -5.556
459 1HB LYS 81 1HB LYS 81 8.516 8.403 -7.130
460 2HB LYS 81 2HB LYS 81 9.893 9.230 -7.843
461 1HG LYS 81 1HG LYS 81 11.325 7.375 -7.418
462 2HG LYS 81 2HG LYS 81 10.087 6.572 -6.452
463 1HD LYS 81 1HD LYS 81 8.655 6.638 -8.577
464 2HD LYS 81 2HD LYS 81 10.156 7.017 -9.422
465 1HE LYS 81 1HE LYS 81 10.791 4.845 -7.802
466 2HE LYS 81 2HE LYS 81 9.182 4.481 -8.425
467 1HZ LYS 81 1HZ LYS 81 10.754 3.621 -9.953
468 2HZ LYS 81 2HZ LYS 81 11.628 5.068 -9.994
469 3HZ LYS 81 3HZ LYS 81 10.083 4.995 -10.678
470 H HIS 82 H HIS 82 7.930 10.167 -4.461
471 HA HIS 82 HA HIS 82 7.951 12.740 -5.802
472 1HB HIS 82 1HB HIS 82 5.899 11.249 -4.976
473 2HB HIS 82 2HB HIS 82 6.138 12.179 -3.500
474 HD2 HIS 82 HD2 HIS 82 5.675 14.991 -3.795
475 HE1 HIS 82 HE1 HIS 82 3.606 14.560 -7.477
476 HE2 HIS 82 HE2 HIS 82 4.086 16.080 -5.524
477 H GLU 83 H GLU 83 8.292 11.500 -2.503
478 HA GLU 83 HA GLU 83 9.193 14.116 -1.565
479 1HB GLU 83 1HB GLU 83 9.024 11.762 0.247
480 2HB GLU 83 2HB GLU 83 8.615 13.444 0.549
481 1HG GLU 83 1HG GLU 83 6.758 12.793 -1.303
482 2HG GLU 83 2HG GLU 83 6.962 11.247 -0.481
483 H TYR 84 H TYR 84 10.497 11.214 -2.664
484 HA TYR 84 HA TYR 84 13.131 11.961 -1.619
485 1HB TYR 84 1HB TYR 84 11.810 9.267 -1.508
486 2HB TYR 84 2HB TYR 84 13.561 9.401 -1.523
487 HD1 TYR 84 HD1 TYR 84 14.756 10.118 0.428
488 HD2 TYR 84 HD2 TYR 84 10.508 10.225 0.359
489 HE1 TYR 84 HE1 TYR 84 14.736 10.559 2.851
490 HE2 TYR 84 HE2 TYR 84 10.479 10.664 2.782
491 HH TYR 84 HH TYR 84 12.830 10.088 4.794
492 H ALA 85 H ALA 85 14.889 11.481 -2.906
493 HA ALA 85 HA ALA 85 14.267 10.718 -5.690
494 1HB ALA 85 1HB ALA 85 15.822 13.008 -4.602
495 2HB ALA 85 2HB ALA 85 14.759 12.927 -6.008
496 3HB ALA 85 3HB ALA 85 16.391 12.257 -6.095
497 H LYS 86 H LYS 86 15.765 9.425 -6.778
498 HA LYS 86 HA LYS 86 17.678 8.049 -5.048
499 1HB LYS 86 1HB LYS 86 16.039 6.805 -6.579
500 2HB LYS 86 2HB LYS 86 17.065 7.319 -7.903
501 1HG LYS 86 1HG LYS 86 18.951 6.151 -6.919
502 2HG LYS 86 2HG LYS 86 17.958 5.676 -5.541
503 1HD LYS 86 1HD LYS 86 18.132 3.833 -7.096
504 2HD LYS 86 2HD LYS 86 16.476 4.440 -7.076
505 1HE LYS 86 1HE LYS 86 18.367 5.551 -9.086
506 2HE LYS 86 2HE LYS 86 17.739 3.923 -9.339
507 1HZ LYS 86 1HZ LYS 86 15.985 4.919 -10.241
508 2HZ LYS 86 2HZ LYS 86 16.428 6.444 -9.659
509 3HZ LYS 86 3HZ LYS 86 15.539 5.393 -8.678
510 H GLY 87 H GLY 87 19.750 8.671 -5.055
511 1HA GLY 87 1HA GLY 87 20.721 10.638 -6.805
512 2HA GLY 87 2HA GLY 87 21.709 9.632 -5.760
513 H ASP 88 H ASP 88 23.214 9.807 -7.684
514 HA ASP 88 HA ASP 88 22.413 8.303 -10.011
515 1HB ASP 88 1HB ASP 88 24.649 8.859 -10.874
516 2HB ASP 88 2HB ASP 88 23.796 10.289 -10.302
517 H ASP 89 H ASP 89 22.513 6.775 -7.492
518 HA ASP 89 HA ASP 89 24.459 4.790 -8.390
519 1HB ASP 89 1HB ASP 89 23.956 5.414 -5.487
520 2HB ASP 89 2HB ASP 89 25.117 4.260 -6.134
521 H ASP 90 H ASP 90 22.436 4.612 -5.594
522 HA ASP 90 HA ASP 90 20.231 3.312 -6.754
523 1HB ASP 90 1HB ASP 90 22.510 1.643 -6.303
524 2HB ASP 90 2HB ASP 90 21.263 1.203 -5.145
525 H LYS 91 H LYS 91 21.071 5.331 -4.865
526 HA LYS 91 HA LYS 91 19.576 4.394 -2.502
527 1HB LYS 91 1HB LYS 91 22.141 5.783 -2.736
528 2HB LYS 91 2HB LYS 91 21.070 6.435 -1.531
529 1HG LYS 91 1HG LYS 91 20.884 4.136 -0.582
530 2HG LYS 91 2HG LYS 91 22.119 3.636 -1.742
531 1HD LYS 91 1HD LYS 91 23.235 5.871 -0.568
532 2HD LYS 91 2HD LYS 91 22.387 5.077 0.785
533 1HE LYS 91 1HE LYS 91 23.994 3.346 -1.007
534 2HE LYS 91 2HE LYS 91 24.885 4.447 0.043
535 1HZ LYS 91 1HZ LYS 91 22.740 2.793 1.182
536 2HZ LYS 91 2HZ LYS 91 24.130 3.405 1.925
537 3HZ LYS 91 3HZ LYS 91 24.246 2.088 0.871
538 H TRP 92 H TRP 92 18.377 6.073 -1.389
539 HA TRP 92 HA TRP 92 17.660 8.272 -3.192
540 1HB TRP 92 1HB TRP 92 15.813 6.851 -1.279
541 2HB TRP 92 2HB TRP 92 15.369 8.137 -2.394
542 HD1 TRP 92 HD1 TRP 92 16.837 4.555 -2.604
543 HE1 TRP 92 HE1 TRP 92 15.891 3.431 -4.716
544 HE3 TRP 92 HE3 TRP 92 14.123 8.469 -4.447
545 HZ2 TRP 92 HZ2 TRP 92 14.217 4.117 -6.883
546 HZ3 TRP 92 HZ3 TRP 92 12.879 8.154 -6.546
547 HH2 TRP 92 HH2 TRP 92 12.925 6.022 -7.737
548 H HIS 93 H HIS 93 16.699 10.160 -2.193
549 HA HIS 93 HA HIS 93 17.286 10.658 0.611
550 1HB HIS 93 1HB HIS 93 18.472 12.802 0.021
551 2HB HIS 93 2HB HIS 93 19.376 11.343 -0.363
552 HD2 HIS 93 HD2 HIS 93 18.879 10.638 -3.284
553 HE1 HIS 93 HE1 HIS 93 18.882 14.774 -4.239
554 HE2 HIS 93 HE2 HIS 93 19.089 12.429 -5.141
555 H LYS 94 H LYS 94 15.861 12.191 1.489
556 HA LYS 94 HA LYS 94 13.469 12.565 0.138
557 1HB LYS 94 1HB LYS 94 13.961 12.818 2.672
558 2HB LYS 94 2HB LYS 94 14.235 14.510 2.267
559 1HG LYS 94 1HG LYS 94 11.994 14.588 1.218
560 2HG LYS 94 2HG LYS 94 11.723 12.932 1.751
561 1HD LYS 94 1HD LYS 94 12.045 13.668 4.094
562 2HD LYS 94 2HD LYS 94 12.201 15.329 3.521
563 1HE LYS 94 1HE LYS 94 9.833 14.188 2.404
564 2HE LYS 94 2HE LYS 94 9.840 13.895 4.144
565 1HZ LYS 94 1HZ LYS 94 9.818 16.454 2.698
566 2HZ LYS 94 2HZ LYS 94 10.482 16.385 4.252
567 3HZ LYS 94 3HZ LYS 94 8.867 15.953 4.005
568 H LYS 95 H LYS 95 12.827 13.761 -1.386
569 HA LYS 95 HA LYS 95 14.394 15.929 -2.397
570 1HB LYS 95 1HB LYS 95 11.979 14.429 -3.261
571 2HB LYS 95 2HB LYS 95 12.254 16.026 -3.925
572 1HG LYS 95 1HG LYS 95 14.490 14.085 -3.966
573 2HG LYS 95 2HG LYS 95 13.169 13.877 -5.118
574 1HD LYS 95 1HD LYS 95 14.269 16.609 -4.861
575 2HD LYS 95 2HD LYS 95 15.330 15.406 -5.597
576 1HE LYS 95 1HE LYS 95 13.530 14.839 -7.188
577 2HE LYS 95 2HE LYS 95 12.533 16.108 -6.481
578 1HZ LYS 95 1HZ LYS 95 14.424 16.349 -8.510
579 2HZ LYS 95 2HZ LYS 95 15.036 17.187 -7.176
580 3HZ LYS 95 3HZ LYS 95 13.511 17.579 -7.792
581 H SER 96 H SER 96 10.895 15.880 -2.045
582 HA SER 96 HA SER 96 10.592 18.597 -1.514
583 1HB SER 96 1HB SER 96 8.850 16.632 -2.047
584 2HB SER 96 2HB SER 96 8.606 16.740 -0.305
585 HG SER 96 HG SER 96 8.425 18.897 -2.143
Start of MODEL 2
1 HA PRO 22 HA PRO 22 2.899 -7.590 4.632
2 1HB PRO 22 1HB PRO 22 4.123 -5.708 2.762
3 2HB PRO 22 2HB PRO 22 3.792 -7.426 2.554
4 1HG PRO 22 1HG PRO 22 2.435 -5.537 1.210
5 2HG PRO 22 2HG PRO 22 1.687 -7.059 1.713
6 1HD PRO 22 1HD PRO 22 1.505 -4.360 2.993
7 2HD PRO 22 2HD PRO 22 0.223 -5.545 2.682
8 H TYR 23 H TYR 23 2.531 -4.200 5.117
9 HA TYR 23 HA TYR 23 5.061 -4.114 6.624
10 1HB TYR 23 1HB TYR 23 3.610 -1.779 5.371
11 2HB TYR 23 2HB TYR 23 5.193 -1.746 6.148
12 HD1 TYR 23 HD1 TYR 23 4.123 -1.130 3.162
13 HD2 TYR 23 HD2 TYR 23 6.354 -4.241 5.020
14 HE1 TYR 23 HE1 TYR 23 5.179 -1.655 1.004
15 HE2 TYR 23 HE2 TYR 23 7.411 -4.772 2.876
16 HH TYR 23 HH TYR 23 7.424 -2.774 0.279
17 H LYS 24 H LYS 24 5.013 -3.282 8.727
18 HA LYS 24 HA LYS 24 2.316 -2.723 9.765
19 1HB LYS 24 1HB LYS 24 4.586 -4.232 11.041
20 2HB LYS 24 2HB LYS 24 3.188 -3.663 11.944
21 1HG LYS 24 1HG LYS 24 3.069 -5.534 9.589
22 2HG LYS 24 2HG LYS 24 3.010 -6.027 11.282
23 1HD LYS 24 1HD LYS 24 1.073 -3.952 10.478
24 2HD LYS 24 2HD LYS 24 0.822 -5.550 9.775
25 1HE LYS 24 1HE LYS 24 1.114 -6.402 12.196
26 2HE LYS 24 2HE LYS 24 0.810 -4.729 12.655
27 1HZ LYS 24 1HZ LYS 24 -1.295 -4.832 11.458
28 2HZ LYS 24 2HZ LYS 24 -1.226 -6.014 12.667
29 3HZ LYS 24 3HZ LYS 24 -1.004 -6.449 11.049
30 H THR 25 H THR 25 5.781 -1.912 10.134
31 HA THR 25 HA THR 25 4.899 0.549 11.475
32 HB THR 25 HB THR 25 6.890 0.507 12.849
33 HG1 THR 25 HG1 THR 25 8.229 -1.397 12.761
34 1HG2 THR 25 1HG2 THR 25 5.314 -0.595 14.073
35 2HG2 THR 25 2HG2 THR 25 6.557 -1.841 13.951
36 3HG2 THR 25 3HG2 THR 25 5.145 -1.898 12.895
37 H LYS 26 H LYS 26 7.816 -0.818 9.948
38 HA LYS 26 HA LYS 26 7.906 0.921 7.768
39 1HB LYS 26 1HB LYS 26 8.657 2.214 10.161
40 2HB LYS 26 2HB LYS 26 10.149 1.907 9.292
41 1HG LYS 26 1HG LYS 26 9.080 2.981 7.292
42 2HG LYS 26 2HG LYS 26 7.756 3.460 8.355
43 1HD LYS 26 1HD LYS 26 10.599 4.106 9.052
44 2HD LYS 26 2HD LYS 26 9.689 5.128 7.940
45 1HE LYS 26 1HE LYS 26 9.299 6.150 9.975
46 2HE LYS 26 2HE LYS 26 7.885 5.111 9.804
47 1HZ LYS 26 1HZ LYS 26 9.790 3.571 11.061
48 2HZ LYS 26 2HZ LYS 26 8.416 4.262 11.766
49 3HZ LYS 26 3HZ LYS 26 9.894 5.085 11.809
50 H SER 27 H SER 27 10.058 -0.542 10.197
51 HA SER 27 HA SER 27 12.132 -1.230 8.447
52 1HB SER 27 1HB SER 27 12.479 -3.119 10.254
53 2HB SER 27 2HB SER 27 12.745 -1.427 10.674
54 HG SER 27 HG SER 27 11.031 -3.140 11.758
55 H ASP 28 H ASP 28 8.989 -2.544 8.840
56 HA ASP 28 HA ASP 28 9.416 -5.189 7.972
57 1HB ASP 28 1HB ASP 28 7.022 -3.368 7.948
58 2HB ASP 28 2HB ASP 28 6.945 -4.997 7.286
59 H LEU 29 H LEU 29 9.518 -2.208 6.299
60 HA LEU 29 HA LEU 29 8.658 -2.915 3.752
61 1HB LEU 29 1HB LEU 29 10.801 -0.991 4.630
62 2HB LEU 29 2HB LEU 29 10.214 -1.104 2.981
63 HG LEU 29 HG LEU 29 8.488 -0.426 5.360
64 1HD1 LEU 29 1HD1 LEU 29 10.398 1.189 4.359
65 2HD1 LEU 29 2HD1 LEU 29 8.875 1.761 5.053
66 3HD1 LEU 29 3HD1 LEU 29 9.041 1.596 3.305
67 1HD2 LEU 29 1HD2 LEU 29 7.453 0.437 2.856
68 2HD2 LEU 29 2HD2 LEU 29 6.761 -0.701 4.007
69 3HD2 LEU 29 3HD2 LEU 29 7.846 -1.277 2.741
70 HA PRO 30 HA PRO 30 11.639 -5.548 1.904
71 1HB PRO 30 1HB PRO 30 12.058 -3.653 -0.310
72 2HB PRO 30 2HB PRO 30 11.431 -5.295 -0.355
73 1HG PRO 30 1HG PRO 30 9.839 -3.202 -0.748
74 2HG PRO 30 2HG PRO 30 9.295 -4.616 0.149
75 1HD PRO 30 1HD PRO 30 10.214 -1.972 1.191
76 2HD PRO 30 2HD PRO 30 8.851 -2.977 1.716
77 H GLU 31 H GLU 31 13.747 -5.939 2.133
78 HA GLU 31 HA GLU 31 15.493 -4.161 3.320
79 1HB GLU 31 1HB GLU 31 17.310 -5.699 2.681
80 2HB GLU 31 2HB GLU 31 15.913 -6.555 3.313
81 1HG GLU 31 1HG GLU 31 15.611 -6.381 0.505
82 2HG GLU 31 2HG GLU 31 17.257 -6.913 0.839
83 H SER 32 H SER 32 15.146 -4.871 -0.158
84 HA SER 32 HA SER 32 17.235 -3.148 -1.003
85 1HB SER 32 1HB SER 32 15.968 -3.222 -3.218
86 2HB SER 32 2HB SER 32 16.538 -4.763 -2.582
87 HG SER 32 HG SER 32 14.526 -5.365 -2.190
88 H VAL 33 H VAL 33 14.249 -2.487 0.355
89 HA VAL 33 HA VAL 33 13.983 0.108 -0.957
90 HB VAL 33 HB VAL 33 12.172 -1.326 1.008
91 1HG1 VAL 33 1HG1 VAL 33 11.998 1.420 -0.203
92 2HG1 VAL 33 2HG1 VAL 33 11.846 0.946 1.490
93 3HG1 VAL 33 3HG1 VAL 33 10.564 0.551 0.346
94 1HG2 VAL 33 1HG2 VAL 33 11.606 -0.599 -1.856
95 2HG2 VAL 33 2HG2 VAL 33 10.695 -1.681 -0.802
96 3HG2 VAL 33 3HG2 VAL 33 12.292 -2.151 -1.380
97 H LYS 34 H LYS 34 14.090 -1.296 2.303
98 HA LYS 34 HA LYS 34 14.480 1.124 3.689
99 1HB LYS 34 1HB LYS 34 15.297 -1.677 4.497
100 2HB LYS 34 2HB LYS 34 15.099 -0.300 5.579
101 1HG LYS 34 1HG LYS 34 12.759 -0.264 5.259
102 2HG LYS 34 2HG LYS 34 12.859 -1.371 3.888
103 1HD LYS 34 1HD LYS 34 13.443 -2.016 6.777
104 2HD LYS 34 2HD LYS 34 12.050 -2.551 5.836
105 1HE LYS 34 1HE LYS 34 13.754 -3.621 4.262
106 2HE LYS 34 2HE LYS 34 14.929 -3.358 5.549
107 1HZ LYS 34 1HZ LYS 34 12.899 -4.532 6.864
108 2HZ LYS 34 2HZ LYS 34 14.246 -5.352 6.252
109 3HZ LYS 34 3HZ LYS 34 12.810 -5.306 5.361
110 H HIS 35 H HIS 35 16.692 -1.059 2.086
111 HA HIS 35 HA HIS 35 19.065 0.071 3.290
112 1HB HIS 35 1HB HIS 35 18.435 -2.247 1.728
113 2HB HIS 35 2HB HIS 35 19.775 -1.398 0.979
114 HD2 HIS 35 HD2 HIS 35 19.114 -3.810 3.835
115 HE1 HIS 35 HE1 HIS 35 23.002 -2.234 4.476
116 HE2 HIS 35 HE2 HIS 35 21.340 -4.009 5.139
117 H VAL 36 H VAL 36 17.062 1.517 1.375
118 HA VAL 36 HA VAL 36 19.133 3.018 -0.067
119 HB VAL 36 HB VAL 36 17.600 3.088 -2.061
120 1HG1 VAL 36 1HG1 VAL 36 19.152 0.765 -1.130
121 2HG1 VAL 36 2HG1 VAL 36 19.301 1.707 -2.604
122 3HG1 VAL 36 3HG1 VAL 36 18.067 0.458 -2.483
123 1HG2 VAL 36 1HG2 VAL 36 16.240 0.842 -0.566
124 2HG2 VAL 36 2HG2 VAL 36 15.945 1.256 -2.260
125 3HG2 VAL 36 3HG2 VAL 36 15.536 2.408 -0.988
126 H LEU 37 H LEU 37 15.862 2.758 1.219
127 HA LEU 37 HA LEU 37 15.326 5.570 0.767
128 1HB LEU 37 1HB LEU 37 13.742 3.223 1.339
129 2HB LEU 37 2HB LEU 37 13.338 4.532 2.425
130 HG LEU 37 HG LEU 37 12.426 5.819 0.782
131 1HD1 LEU 37 1HD1 LEU 37 13.022 5.337 -1.703
132 2HD1 LEU 37 2HD1 LEU 37 14.449 4.572 -1.007
133 3HD1 LEU 37 3HD1 LEU 37 14.120 6.277 -0.688
134 1HD2 LEU 37 1HD2 LEU 37 11.633 3.227 0.805
135 2HD2 LEU 37 2HD2 LEU 37 11.965 3.484 -0.910
136 3HD2 LEU 37 3HD2 LEU 37 10.823 4.527 -0.066
137 HA PRO 38 HA PRO 38 17.015 7.004 4.556
138 1HB PRO 38 1HB PRO 38 15.075 9.195 3.987
139 2HB PRO 38 2HB PRO 38 16.814 9.292 4.303
140 1HG PRO 38 1HG PRO 38 15.971 9.597 1.826
141 2HG PRO 38 2HG PRO 38 17.352 8.536 2.127
142 1HD PRO 38 1HD PRO 38 14.478 7.803 1.721
143 2HD PRO 38 2HD PRO 38 15.921 7.142 0.930
144 H SER 39 H SER 39 15.804 8.439 6.452
145 HA SER 39 HA SER 39 14.335 6.592 7.908
146 1HB SER 39 1HB SER 39 13.773 8.555 9.401
147 2HB SER 39 2HB SER 39 15.490 8.315 9.075
148 HG SER 39 HG SER 39 14.160 10.504 8.722
149 H HIS 40 H HIS 40 12.871 9.742 7.211
150 HA HIS 40 HA HIS 40 10.251 8.853 7.503
151 1HB HIS 40 1HB HIS 40 11.025 11.215 7.657
152 2HB HIS 40 2HB HIS 40 11.124 11.254 5.900
153 HD2 HIS 40 HD2 HIS 40 9.008 12.860 5.308
154 HE1 HIS 40 HE1 HIS 40 6.069 10.751 7.522
155 HE2 HIS 40 HE2 HIS 40 6.517 12.703 5.993
156 H ALA 41 H ALA 41 12.264 8.264 4.823
157 HA ALA 41 HA ALA 41 10.285 8.385 2.775
158 1HB ALA 41 1HB ALA 41 12.608 6.541 2.558
159 2HB ALA 41 2HB ALA 41 12.899 8.276 2.634
160 3HB ALA 41 3HB ALA 41 11.894 7.608 1.348
161 H GLN 42 H GLN 42 11.401 5.872 4.953
162 HA GLN 42 HA GLN 42 10.008 3.725 3.727
163 1HB GLN 42 1HB GLN 42 10.766 3.979 6.644
164 2HB GLN 42 2HB GLN 42 10.535 2.499 5.732
165 1HG GLN 42 1HG GLN 42 12.598 2.543 4.887
166 2HG GLN 42 2HG GLN 42 12.529 4.284 4.581
167 1HE2 GLN 42 1HE2 GLN 42 14.840 3.861 5.329
168 2HE2 GLN 42 2HE2 GLN 42 15.147 4.059 7.018
169 H ASP 43 H ASP 43 9.211 6.034 6.277
170 HA ASP 43 HA ASP 43 6.717 4.935 7.011
171 1HB ASP 43 1HB ASP 43 8.169 6.929 8.029
172 2HB ASP 43 2HB ASP 43 7.116 7.902 7.006
173 H ILE 44 H ILE 44 7.748 7.286 4.631
174 HA ILE 44 HA ILE 44 5.257 7.970 3.513
175 HB ILE 44 HB ILE 44 8.065 7.887 2.390
176 1HG1 ILE 44 1HG1 ILE 44 6.205 10.154 3.119
177 2HG1 ILE 44 2HG1 ILE 44 7.527 9.567 4.115
178 1HG2 ILE 44 1HG2 ILE 44 5.985 9.415 0.918
179 2HG2 ILE 44 2HG2 ILE 44 5.966 7.667 0.711
180 3HG2 ILE 44 3HG2 ILE 44 7.417 8.582 0.316
181 1HD1 ILE 44 1HD1 ILE 44 8.854 10.087 1.848
182 2HD1 ILE 44 2HD1 ILE 44 8.627 11.263 3.142
183 3HD1 ILE 44 3HD1 ILE 44 7.567 11.281 1.734
184 H TYR 45 H TYR 45 7.703 5.674 2.454
185 HA TYR 45 HA TYR 45 6.410 4.448 0.366
186 1HB TYR 45 1HB TYR 45 8.780 4.097 1.137
187 2HB TYR 45 2HB TYR 45 8.136 3.031 2.371
188 HD1 TYR 45 HD1 TYR 45 6.450 1.176 1.352
189 HD2 TYR 45 HD2 TYR 45 9.600 3.108 -0.738
190 HE1 TYR 45 HE1 TYR 45 6.517 -0.692 -0.244
191 HE2 TYR 45 HE2 TYR 45 9.679 1.249 -2.346
192 HH TYR 45 HH TYR 45 8.749 -1.553 -1.972
193 H LYS 46 H LYS 46 6.598 3.092 3.654
194 HA LYS 46 HA LYS 46 4.739 1.083 3.330
195 1HB LYS 46 1HB LYS 46 6.181 1.111 5.232
196 2HB LYS 46 2HB LYS 46 5.541 2.656 5.772
197 1HG LYS 46 1HG LYS 46 3.381 1.596 6.215
198 2HG LYS 46 2HG LYS 46 4.047 0.047 5.702
199 1HD LYS 46 1HD LYS 46 5.081 -0.275 7.662
200 2HD LYS 46 2HD LYS 46 5.679 1.384 7.712
201 1HE LYS 46 1HE LYS 46 2.839 0.620 8.343
202 2HE LYS 46 2HE LYS 46 4.105 0.744 9.562
203 1HZ LYS 46 1HZ LYS 46 2.724 2.845 8.103
204 2HZ LYS 46 2HZ LYS 46 4.375 3.090 8.375
205 3HZ LYS 46 3HZ LYS 46 3.330 2.841 9.683
206 H GLU 47 H GLU 47 4.139 4.325 4.730
207 HA GLU 47 HA GLU 47 1.401 3.996 5.153
208 1HB GLU 47 1HB GLU 47 2.969 6.497 4.552
209 2HB GLU 47 2HB GLU 47 1.284 6.488 5.046
210 1HG GLU 47 1HG GLU 47 2.669 4.915 6.912
211 2HG GLU 47 2HG GLU 47 3.633 6.367 6.653
212 H ALA 48 H ALA 48 3.155 4.952 2.276
213 HA ALA 48 HA ALA 48 0.792 5.632 0.794
214 1HB ALA 48 1HB ALA 48 3.671 5.248 0.055
215 2HB ALA 48 2HB ALA 48 2.715 6.728 0.044
216 3HB ALA 48 3HB ALA 48 2.427 5.487 -1.173
217 H PHE 49 H PHE 49 2.905 2.842 1.107
218 HA PHE 49 HA PHE 49 1.745 1.253 -0.902
219 1HB PHE 49 1HB PHE 49 3.893 0.655 0.070
220 2HB PHE 49 2HB PHE 49 3.154 0.452 1.648
221 HD1 PHE 49 HD1 PHE 49 1.310 -1.370 1.822
222 HD2 PHE 49 HD2 PHE 49 4.140 -1.135 -1.346
223 HE1 PHE 49 HE1 PHE 49 0.891 -3.733 1.273
224 HE2 PHE 49 HE2 PHE 49 3.722 -3.494 -1.896
225 HZ PHE 49 HZ PHE 49 2.092 -4.795 -0.590
226 H ASN 50 H ASN 50 1.143 1.389 2.615
227 HA ASN 50 HA ASN 50 -0.855 -0.520 2.775
228 1HB ASN 50 1HB ASN 50 -0.615 2.053 4.352
229 2HB ASN 50 2HB ASN 50 -1.592 0.663 4.811
230 1HD2 ASN 50 1HD2 ASN 50 -0.023 -1.443 4.379
231 2HD2 ASN 50 2HD2 ASN 50 1.408 -1.366 5.344
232 H SER 51 H SER 51 -1.104 2.932 2.046
233 HA SER 51 HA SER 51 -3.878 3.155 1.920
234 1HB SER 51 1HB SER 51 -1.899 4.924 1.632
235 2HB SER 51 2HB SER 51 -2.244 4.654 -0.075
236 HG SER 51 HG SER 51 -3.461 6.372 1.122
237 H ALA 52 H ALA 52 -1.551 2.330 -0.621
238 HA ALA 52 HA ALA 52 -3.513 1.930 -2.643
239 1HB ALA 52 1HB ALA 52 -1.657 0.772 -3.853
240 2HB ALA 52 2HB ALA 52 -0.655 0.996 -2.420
241 3HB ALA 52 3HB ALA 52 -1.257 2.398 -3.303
242 H TRP 53 H TRP 53 -2.110 -0.033 -0.144
243 HA TRP 53 HA TRP 53 -2.942 -2.567 -1.113
244 1HB TRP 53 1HB TRP 53 -1.232 -2.659 0.474
245 2HB TRP 53 2HB TRP 53 -1.996 -1.477 1.519
246 HD1 TRP 53 HD1 TRP 53 -1.799 -5.192 0.846
247 HE1 TRP 53 HE1 TRP 53 -3.055 -6.462 2.690
248 HE3 TRP 53 HE3 TRP 53 -4.061 -1.234 3.161
249 HZ2 TRP 53 HZ2 TRP 53 -4.782 -5.871 4.841
250 HZ3 TRP 53 HZ3 TRP 53 -5.501 -1.675 5.106
251 HH2 TRP 53 HH2 TRP 53 -5.852 -3.947 5.928
252 H ASP 54 H ASP 54 -4.291 -0.411 1.413
253 HA ASP 54 HA ASP 54 -6.660 -1.938 1.770
254 1HB ASP 54 1HB ASP 54 -5.820 -0.369 3.483
255 2HB ASP 54 2HB ASP 54 -6.144 0.980 2.400
256 H GLN 55 H GLN 55 -5.725 0.675 -0.348
257 HA GLN 55 HA GLN 55 -8.332 1.292 -1.272
258 1HB GLN 55 1HB GLN 55 -5.563 1.831 -2.275
259 2HB GLN 55 2HB GLN 55 -6.942 2.162 -3.316
260 1HG GLN 55 1HG GLN 55 -7.803 3.430 -1.170
261 2HG GLN 55 2HG GLN 55 -6.082 3.512 -0.818
262 1HE2 GLN 55 1HE2 GLN 55 -4.721 4.671 -2.187
263 2HE2 GLN 55 2HE2 GLN 55 -5.330 5.833 -3.311
264 H TYR 56 H TYR 56 -6.060 -1.166 -1.931
265 HA TYR 56 HA TYR 56 -7.148 -2.003 -4.443
266 1HB TYR 56 1HB TYR 56 -4.832 -2.567 -2.983
267 2HB TYR 56 2HB TYR 56 -5.723 -4.084 -3.005
268 HD1 TYR 56 HD1 TYR 56 -4.474 -1.399 -5.259
269 HD2 TYR 56 HD2 TYR 56 -5.637 -5.461 -4.844
270 HE1 TYR 56 HE1 TYR 56 -3.702 -1.850 -7.545
271 HE2 TYR 56 HE2 TYR 56 -4.878 -5.925 -7.124
272 HH TYR 56 HH TYR 56 -3.133 -4.857 -8.738
273 H LYS 57 H LYS 57 -9.355 -1.780 -3.196
274 HA LYS 57 HA LYS 57 -10.117 -4.125 -1.695
275 1HB LYS 57 1HB LYS 57 -11.176 -1.485 -2.221
276 2HB LYS 57 2HB LYS 57 -12.425 -2.713 -2.396
277 1HG LYS 57 1HG LYS 57 -11.279 -3.496 -0.080
278 2HG LYS 57 2HG LYS 57 -11.024 -1.752 0.002
279 1HD LYS 57 1HD LYS 57 -13.100 -1.778 0.900
280 2HD LYS 57 2HD LYS 57 -13.592 -1.802 -0.794
281 1HE LYS 57 1HE LYS 57 -14.064 -4.078 -0.752
282 2HE LYS 57 2HE LYS 57 -13.073 -4.355 0.679
283 1HZ LYS 57 1HZ LYS 57 -15.829 -3.781 0.527
284 2HZ LYS 57 2HZ LYS 57 -15.060 -2.561 1.410
285 3HZ LYS 57 3HZ LYS 57 -14.903 -4.176 1.886
286 H ASP 58 H ASP 58 -9.499 -3.753 -4.826
287 HA ASP 58 HA ASP 58 -11.830 -5.120 -5.903
288 1HB ASP 58 1HB ASP 58 -10.005 -3.300 -6.966
289 2HB ASP 58 2HB ASP 58 -9.570 -4.832 -7.721
290 H LYS 59 H LYS 59 -8.531 -5.708 -4.975
291 HA LYS 59 HA LYS 59 -8.554 -8.405 -6.080
292 1HB LYS 59 1HB LYS 59 -6.545 -6.807 -6.148
293 2HB LYS 59 2HB LYS 59 -6.364 -7.164 -4.436
294 1HG LYS 59 1HG LYS 59 -5.159 -8.921 -4.992
295 2HG LYS 59 2HG LYS 59 -6.617 -9.643 -5.670
296 1HD LYS 59 1HD LYS 59 -4.583 -7.948 -7.116
297 2HD LYS 59 2HD LYS 59 -4.873 -9.673 -7.329
298 1HE LYS 59 1HE LYS 59 -6.670 -9.341 -8.647
299 2HE LYS 59 2HE LYS 59 -7.230 -7.958 -7.711
300 1HZ LYS 59 1HZ LYS 59 -6.460 -6.670 -9.322
301 2HZ LYS 59 2HZ LYS 59 -5.777 -7.986 -10.134
302 3HZ LYS 59 3HZ LYS 59 -4.885 -7.168 -8.955
303 H GLU 60 H GLU 60 -10.400 -7.774 -3.980
304 HA GLU 60 HA GLU 60 -9.371 -8.808 -1.519
305 1HB GLU 60 1HB GLU 60 -11.827 -7.573 -2.451
306 2HB GLU 60 2HB GLU 60 -12.153 -8.933 -1.385
307 1HG GLU 60 1HG GLU 60 -10.213 -6.766 -0.653
308 2HG GLU 60 2HG GLU 60 -11.940 -6.635 -0.326
309 H ASP 61 H ASP 61 -11.377 -10.048 -4.153
310 HA ASP 61 HA ASP 61 -11.327 -12.702 -2.893
311 1HB ASP 61 1HB ASP 61 -13.145 -11.581 -5.030
312 2HB ASP 61 2HB ASP 61 -13.191 -13.246 -4.455
313 H ARG 62 H ARG 62 -9.236 -11.298 -4.702
314 HA ARG 62 HA ARG 62 -9.118 -13.345 -6.799
315 1HB ARG 62 1HB ARG 62 -7.352 -10.924 -6.732
316 2HB ARG 62 2HB ARG 62 -7.835 -11.900 -8.107
317 1HG ARG 62 1HG ARG 62 -9.755 -10.182 -6.563
318 2HG ARG 62 2HG ARG 62 -8.857 -9.614 -7.974
319 1HD ARG 62 1HD ARG 62 -9.999 -12.075 -8.707
320 2HD ARG 62 2HD ARG 62 -11.260 -11.191 -7.851
321 HE ARG 62 HE ARG 62 -11.338 -9.675 -9.579
322 1HH1 ARG 62 1HH1 ARG 62 -8.538 -11.723 -9.965
323 2HH1 ARG 62 2HH1 ARG 62 -8.212 -11.182 -11.577
324 1HH2 ARG 62 1HH2 ARG 62 -10.910 -8.964 -11.699
325 2HH2 ARG 62 2HH2 ARG 62 -9.554 -9.614 -12.560
326 H ARG 63 H ARG 63 -7.489 -14.742 -6.914
327 HA ARG 63 HA ARG 63 -5.858 -15.179 -4.620
328 1HB ARG 63 1HB ARG 63 -4.824 -16.964 -6.173
329 2HB ARG 63 2HB ARG 63 -6.505 -17.141 -5.692
330 1HG ARG 63 1HG ARG 63 -6.546 -15.621 -8.044
331 2HG ARG 63 2HG ARG 63 -5.375 -16.916 -8.320
332 1HD ARG 63 1HD ARG 63 -8.203 -17.276 -7.347
333 2HD ARG 63 2HD ARG 63 -7.638 -17.575 -8.989
334 HE ARG 63 HE ARG 63 -6.213 -19.344 -8.027
335 1HH1 ARG 63 1HH1 ARG 63 -9.007 -18.277 -6.210
336 2HH1 ARG 63 2HH1 ARG 63 -9.131 -19.750 -5.314
337 1HH2 ARG 63 1HH2 ARG 63 -6.389 -21.274 -6.843
338 2HH2 ARG 63 2HH2 ARG 63 -7.652 -21.447 -5.670
339 H ASP 64 H ASP 64 -5.452 -13.331 -7.455
340 HA ASP 64 HA ASP 64 -2.557 -13.449 -7.446
341 1HB ASP 64 1HB ASP 64 -2.636 -11.982 -9.342
342 2HB ASP 64 2HB ASP 64 -3.896 -13.196 -9.549
343 H ASP 65 H ASP 65 -3.308 -12.705 -4.968
344 HA ASP 65 HA ASP 65 -3.647 -9.983 -4.474
345 1HB ASP 65 1HB ASP 65 -2.927 -12.349 -2.928
346 2HB ASP 65 2HB ASP 65 -2.129 -10.895 -2.335
347 H ALA 66 H ALA 66 -0.832 -11.761 -5.436
348 HA ALA 66 HA ALA 66 1.211 -10.092 -4.537
349 1HB ALA 66 1HB ALA 66 2.598 -11.159 -6.007
350 2HB ALA 66 2HB ALA 66 1.395 -11.180 -7.295
351 3HB ALA 66 3HB ALA 66 1.266 -12.317 -5.952
352 H SER 67 H SER 67 -0.929 -9.840 -7.310
353 HA SER 67 HA SER 67 0.211 -7.668 -8.630
354 1HB SER 67 1HB SER 67 -1.674 -9.030 -9.484
355 2HB SER 67 2HB SER 67 -2.738 -8.286 -8.301
356 HG SER 67 HG SER 67 -1.860 -7.329 -10.697
357 H ARG 68 H ARG 68 -2.173 -7.800 -6.033
358 HA ARG 68 HA ARG 68 -2.569 -5.042 -5.686
359 1HB ARG 68 1HB ARG 68 -4.009 -6.686 -4.578
360 2HB ARG 68 2HB ARG 68 -2.641 -7.263 -3.622
361 1HG ARG 68 1HG ARG 68 -3.344 -4.385 -3.427
362 2HG ARG 68 2HG ARG 68 -4.419 -5.554 -2.662
363 1HD ARG 68 1HD ARG 68 -1.440 -5.411 -2.184
364 2HD ARG 68 2HD ARG 68 -2.653 -4.652 -1.154
365 HE ARG 68 HE ARG 68 -3.500 -7.166 -1.129
366 1HH1 ARG 68 1HH1 ARG 68 -0.272 -5.883 -0.764
367 2HH1 ARG 68 2HH1 ARG 68 0.264 -7.179 0.249
368 1HH2 ARG 68 1HH2 ARG 68 -2.794 -8.868 0.215
369 2HH2 ARG 68 2HH2 ARG 68 -1.166 -8.872 0.807
370 H GLU 69 H GLU 69 -0.528 -7.202 -3.729
371 HA GLU 69 HA GLU 69 0.885 -5.343 -2.299
372 1HB GLU 69 1HB GLU 69 1.051 -7.774 -1.969
373 2HB GLU 69 2HB GLU 69 1.931 -7.930 -3.483
374 1HG GLU 69 1HG GLU 69 3.803 -6.770 -2.597
375 2HG GLU 69 2HG GLU 69 2.892 -6.289 -1.169
376 H GLU 70 H GLU 70 1.579 -6.615 -5.532
377 HA GLU 70 HA GLU 70 3.933 -5.235 -6.069
378 1HB GLU 70 1HB GLU 70 2.649 -7.043 -7.456
379 2HB GLU 70 2HB GLU 70 1.845 -5.662 -8.188
380 1HG GLU 70 1HG GLU 70 3.626 -6.209 -9.613
381 2HG GLU 70 2HG GLU 70 4.138 -4.769 -8.732
382 H THR 71 H THR 71 0.617 -4.332 -7.043
383 HA THR 71 HA THR 71 1.168 -1.818 -8.048
384 HB THR 71 HB THR 71 -1.274 -2.727 -6.521
385 HG1 THR 71 HG1 THR 71 -0.857 -2.395 -9.303
386 1HG2 THR 71 1HG2 THR 71 -2.199 -0.794 -8.141
387 2HG2 THR 71 2HG2 THR 71 -0.618 -0.127 -7.721
388 3HG2 THR 71 3HG2 THR 71 -1.769 -0.539 -6.446
389 H ALA 72 H ALA 72 0.274 -2.616 -4.673
390 HA ALA 72 HA ALA 72 0.411 -0.071 -3.621
391 1HB ALA 72 1HB ALA 72 -0.373 -1.831 -2.220
392 2HB ALA 72 2HB ALA 72 1.084 -1.194 -1.460
393 3HB ALA 72 3HB ALA 72 1.149 -2.709 -2.361
394 H HIS 73 H HIS 73 3.014 -2.423 -4.102
395 HA HIS 73 HA HIS 73 5.171 -0.987 -3.085
396 1HB HIS 73 1HB HIS 73 4.914 -2.991 -5.308
397 2HB HIS 73 2HB HIS 73 6.439 -2.153 -5.087
398 HD2 HIS 73 HD2 HIS 73 4.448 -5.084 -3.581
399 HE1 HIS 73 HE1 HIS 73 7.934 -4.545 -1.225
400 HE2 HIS 73 HE2 HIS 73 5.896 -5.969 -1.632
401 H LYS 74 H LYS 74 3.746 -0.945 -6.338
402 HA LYS 74 HA LYS 74 5.394 0.998 -7.476
403 1HB LYS 74 1HB LYS 74 2.594 0.063 -8.062
404 2HB LYS 74 2HB LYS 74 3.336 1.360 -8.992
405 1HG LYS 74 1HG LYS 74 4.200 -0.200 -10.298
406 2HG LYS 74 2HG LYS 74 5.249 -0.645 -8.960
407 1HD LYS 74 1HD LYS 74 4.315 -2.669 -9.152
408 2HD LYS 74 2HD LYS 74 2.939 -1.943 -8.325
409 1HE LYS 74 1HE LYS 74 1.672 -2.356 -10.100
410 2HE LYS 74 2HE LYS 74 2.701 -1.299 -11.066
411 1HZ LYS 74 1HZ LYS 74 2.746 -3.341 -12.159
412 2HZ LYS 74 2HZ LYS 74 2.885 -4.230 -10.726
413 3HZ LYS 74 3HZ LYS 74 4.199 -3.324 -11.289
414 H VAL 75 H VAL 75 2.335 1.293 -5.738
415 HA VAL 75 HA VAL 75 2.038 4.077 -6.081
416 HB VAL 75 HB VAL 75 1.001 2.363 -3.825
417 1HG1 VAL 75 1HG1 VAL 75 0.476 5.169 -4.701
418 2HG1 VAL 75 2HG1 VAL 75 0.621 4.508 -3.070
419 3HG1 VAL 75 3HG1 VAL 75 -0.844 4.221 -4.012
420 1HG2 VAL 75 1HG2 VAL 75 -0.159 1.359 -5.442
421 2HG2 VAL 75 2HG2 VAL 75 0.351 2.547 -6.641
422 3HG2 VAL 75 3HG2 VAL 75 -1.046 2.875 -5.611
423 H ALA 76 H ALA 76 3.088 2.244 -3.206
424 HA ALA 76 HA ALA 76 3.855 4.306 -1.590
425 1HB ALA 76 1HB ALA 76 5.715 2.622 -0.840
426 2HB ALA 76 2HB ALA 76 4.841 1.521 -1.904
427 3HB ALA 76 3HB ALA 76 4.012 2.282 -0.547
428 H TRP 77 H TRP 77 5.787 2.757 -4.102
429 HA TRP 77 HA TRP 77 8.132 4.248 -3.719
430 1HB TRP 77 1HB TRP 77 6.995 2.650 -5.945
431 2HB TRP 77 2HB TRP 77 8.238 3.816 -6.376
432 HD1 TRP 77 HD1 TRP 77 7.844 0.387 -5.242
433 HE1 TRP 77 HE1 TRP 77 10.077 -0.608 -4.435
434 HE3 TRP 77 HE3 TRP 77 10.533 4.700 -4.870
435 HZ2 TRP 77 HZ2 TRP 77 12.644 0.329 -3.724
436 HZ3 TRP 77 HZ3 TRP 77 12.869 4.570 -4.110
437 HH2 TRP 77 HH2 TRP 77 13.902 2.431 -3.551
438 H ALA 78 H ALA 78 5.284 4.846 -5.764
439 HA ALA 78 HA ALA 78 6.075 7.150 -7.053
440 1HB ALA 78 1HB ALA 78 4.023 6.460 -7.786
441 2HB ALA 78 2HB ALA 78 3.525 7.775 -6.723
442 3HB ALA 78 3HB ALA 78 3.433 6.108 -6.163
443 H ALA 79 H ALA 79 4.757 6.812 -3.779
444 HA ALA 79 HA ALA 79 4.735 9.577 -3.167
445 1HB ALA 79 1HB ALA 79 4.449 7.036 -1.662
446 2HB ALA 79 2HB ALA 79 3.418 8.470 -1.674
447 3HB ALA 79 3HB ALA 79 4.914 8.470 -0.746
448 H VAL 80 H VAL 80 7.016 6.937 -2.664
449 HA VAL 80 HA VAL 80 8.972 8.372 -1.275
450 HB VAL 80 HB VAL 80 9.209 5.927 -3.050
451 1HG1 VAL 80 1HG1 VAL 80 11.260 6.263 -1.031
452 2HG1 VAL 80 2HG1 VAL 80 11.283 7.575 -2.202
453 3HG1 VAL 80 3HG1 VAL 80 11.419 5.908 -2.749
454 1HG2 VAL 80 1HG2 VAL 80 8.850 4.681 -1.172
455 2HG2 VAL 80 2HG2 VAL 80 7.863 6.086 -0.777
456 3HG2 VAL 80 3HG2 VAL 80 9.478 5.918 -0.085
457 H LYS 81 H LYS 81 8.705 7.629 -4.777
458 HA LYS 81 HA LYS 81 10.954 9.115 -5.556
459 1HB LYS 81 1HB LYS 81 8.475 8.546 -7.184
460 2HB LYS 81 2HB LYS 81 10.072 8.936 -7.804
461 1HG LYS 81 1HG LYS 81 10.825 6.813 -6.543
462 2HG LYS 81 2HG LYS 81 9.109 6.412 -6.528
463 1HD LYS 81 1HD LYS 81 9.141 6.803 -9.034
464 2HD LYS 81 2HD LYS 81 10.902 6.819 -8.907
465 1HE LYS 81 1HE LYS 81 10.875 4.574 -7.978
466 2HE LYS 81 2HE LYS 81 9.112 4.558 -8.020
467 1HZ LYS 81 1HZ LYS 81 11.016 4.447 -10.271
468 2HZ LYS 81 2HZ LYS 81 9.430 4.983 -10.516
469 3HZ LYS 81 3HZ LYS 81 9.710 3.424 -9.928
470 H HIS 82 H HIS 82 7.914 10.139 -4.457
471 HA HIS 82 HA HIS 82 7.912 12.672 -5.872
472 1HB HIS 82 1HB HIS 82 5.833 11.315 -5.120
473 2HB HIS 82 2HB HIS 82 6.146 11.999 -3.529
474 HD2 HIS 82 HD2 HIS 82 6.681 15.089 -4.261
475 HE1 HIS 82 HE1 HIS 82 3.008 14.885 -6.376
476 HE2 HIS 82 HE2 HIS 82 4.769 16.403 -5.405
477 H GLU 83 H GLU 83 8.349 11.508 -2.560
478 HA GLU 83 HA GLU 83 9.287 14.151 -1.722
479 1HB GLU 83 1HB GLU 83 9.104 11.828 0.146
480 2HB GLU 83 2HB GLU 83 8.814 13.534 0.449
481 1HG GLU 83 1HG GLU 83 6.832 12.973 -1.303
482 2HG GLU 83 2HG GLU 83 6.977 11.434 -0.452
483 H TYR 84 H TYR 84 10.527 11.209 -2.788
484 HA TYR 84 HA TYR 84 13.191 11.927 -1.785
485 1HB TYR 84 1HB TYR 84 11.828 9.252 -1.651
486 2HB TYR 84 2HB TYR 84 13.582 9.373 -1.648
487 HD1 TYR 84 HD1 TYR 84 14.759 10.152 0.284
488 HD2 TYR 84 HD2 TYR 84 10.509 10.209 0.203
489 HE1 TYR 84 HE1 TYR 84 14.726 10.635 2.692
490 HE2 TYR 84 HE2 TYR 84 10.474 10.690 2.620
491 HH TYR 84 HH TYR 84 12.039 10.326 4.596
492 H ALA 85 H ALA 85 14.933 11.403 -3.068
493 HA ALA 85 HA ALA 85 14.309 10.587 -5.837
494 1HB ALA 85 1HB ALA 85 15.826 12.910 -4.803
495 2HB ALA 85 2HB ALA 85 14.838 12.756 -6.256
496 3HB ALA 85 3HB ALA 85 16.477 12.101 -6.230
497 H LYS 86 H LYS 86 15.817 9.276 -6.905
498 HA LYS 86 HA LYS 86 17.704 7.912 -5.143
499 1HB LYS 86 1HB LYS 86 16.136 6.632 -6.669
500 2HB LYS 86 2HB LYS 86 17.103 7.211 -8.008
501 1HG LYS 86 1HG LYS 86 19.054 6.092 -7.120
502 2HG LYS 86 2HG LYS 86 18.139 5.576 -5.703
503 1HD LYS 86 1HD LYS 86 17.650 3.715 -6.829
504 2HD LYS 86 2HD LYS 86 16.616 4.712 -7.854
505 1HE LYS 86 1HE LYS 86 19.548 4.447 -8.413
506 2HE LYS 86 2HE LYS 86 18.409 3.221 -8.966
507 1HZ LYS 86 1HZ LYS 86 17.153 5.144 -10.003
508 2HZ LYS 86 2HZ LYS 86 18.618 4.713 -10.733
509 3HZ LYS 86 3HZ LYS 86 18.541 6.074 -9.732
510 H GLY 87 H GLY 87 19.793 8.544 -5.102
511 1HA GLY 87 1HA GLY 87 20.798 10.480 -6.873
512 2HA GLY 87 2HA GLY 87 21.761 9.499 -5.778
513 H ASP 88 H ASP 88 23.287 9.644 -7.712
514 HA ASP 88 HA ASP 88 22.516 8.011 -9.967
515 1HB ASP 88 1HB ASP 88 24.697 8.617 -10.894
516 2HB ASP 88 2HB ASP 88 23.831 10.044 -10.332
517 H ASP 89 H ASP 89 22.702 6.631 -7.364
518 HA ASP 89 HA ASP 89 24.762 4.701 -8.139
519 1HB ASP 89 1HB ASP 89 24.042 5.340 -5.285
520 2HB ASP 89 2HB ASP 89 25.317 4.263 -5.841
521 H ASP 90 H ASP 90 22.464 4.643 -5.560
522 HA ASP 90 HA ASP 90 20.406 3.200 -6.733
523 1HB ASP 90 1HB ASP 90 22.701 1.592 -6.237
524 2HB ASP 90 2HB ASP 90 21.488 1.165 -5.040
525 H LYS 91 H LYS 91 21.111 5.275 -4.853
526 HA LYS 91 HA LYS 91 19.581 4.316 -2.525
527 1HB LYS 91 1HB LYS 91 22.149 5.738 -2.671
528 2HB LYS 91 2HB LYS 91 21.038 6.318 -1.462
529 1HG LYS 91 1HG LYS 91 20.972 4.171 -0.414
530 2HG LYS 91 2HG LYS 91 21.870 3.453 -1.756
531 1HD LYS 91 1HD LYS 91 23.090 5.725 -0.244
532 2HD LYS 91 2HD LYS 91 23.087 4.097 0.484
533 1HE LYS 91 1HE LYS 91 23.952 4.309 -2.343
534 2HE LYS 91 2HE LYS 91 25.038 4.990 -1.129
535 1HZ LYS 91 1HZ LYS 91 24.100 2.194 -1.376
536 2HZ LYS 91 2HZ LYS 91 24.801 2.783 0.046
537 3HZ LYS 91 3HZ LYS 91 25.691 2.773 -1.391
538 H TRP 92 H TRP 92 18.396 6.022 -1.401
539 HA TRP 92 HA TRP 92 17.656 8.188 -3.244
540 1HB TRP 92 1HB TRP 92 15.890 6.676 -1.324
541 2HB TRP 92 2HB TRP 92 15.376 8.062 -2.279
542 HD1 TRP 92 HD1 TRP 92 16.811 4.512 -2.914
543 HE1 TRP 92 HE1 TRP 92 15.739 3.600 -5.065
544 HE3 TRP 92 HE3 TRP 92 14.055 8.605 -4.238
545 HZ2 TRP 92 HZ2 TRP 92 13.959 4.497 -7.064
546 HZ3 TRP 92 HZ3 TRP 92 12.695 8.497 -6.285
547 HH2 TRP 92 HH2 TRP 92 12.649 6.485 -7.667
548 H HIS 93 H HIS 93 16.829 10.130 -2.340
549 HA HIS 93 HA HIS 93 17.344 10.667 0.476
550 1HB HIS 93 1HB HIS 93 18.549 12.794 -0.126
551 2HB HIS 93 2HB HIS 93 19.455 11.325 -0.473
552 HD2 HIS 93 HD2 HIS 93 18.870 10.580 -3.405
553 HE1 HIS 93 HE1 HIS 93 19.129 14.700 -4.396
554 HE2 HIS 93 HE2 HIS 93 19.083 12.342 -5.288
555 H LYS 94 H LYS 94 15.922 12.198 1.308
556 HA LYS 94 HA LYS 94 13.534 12.582 -0.035
557 1HB LYS 94 1HB LYS 94 14.048 12.876 2.483
558 2HB LYS 94 2HB LYS 94 14.370 14.552 2.050
559 1HG LYS 94 1HG LYS 94 12.117 14.666 1.012
560 2HG LYS 94 2HG LYS 94 11.802 13.041 1.618
561 1HD LYS 94 1HD LYS 94 12.129 13.832 3.916
562 2HD LYS 94 2HD LYS 94 12.444 15.460 3.309
563 1HE LYS 94 1HE LYS 94 10.199 15.579 2.395
564 2HE LYS 94 2HE LYS 94 9.876 13.922 2.901
565 1HZ LYS 94 1HZ LYS 94 10.524 16.143 4.764
566 2HZ LYS 94 2HZ LYS 94 10.041 14.578 5.184
567 3HZ LYS 94 3HZ LYS 94 8.953 15.619 4.414
568 H LYS 95 H LYS 95 12.917 13.730 -1.604
569 HA LYS 95 HA LYS 95 14.489 15.866 -2.669
570 1HB LYS 95 1HB LYS 95 12.093 14.330 -3.510
571 2HB LYS 95 2HB LYS 95 12.353 15.916 -4.207
572 1HG LYS 95 1HG LYS 95 14.634 14.045 -4.189
573 2HG LYS 95 2HG LYS 95 13.315 13.721 -5.314
574 1HD LYS 95 1HD LYS 95 14.346 16.497 -5.179
575 2HD LYS 95 2HD LYS 95 15.380 15.287 -5.940
576 1HE LYS 95 1HE LYS 95 13.380 14.637 -7.338
577 2HE LYS 95 2HE LYS 95 12.579 16.077 -6.712
578 1HZ LYS 95 1HZ LYS 95 14.949 17.042 -7.568
579 2HZ LYS 95 2HZ LYS 95 13.511 17.081 -8.456
580 3HZ LYS 95 3HZ LYS 95 14.631 15.843 -8.719
581 H SER 96 H SER 96 10.993 15.840 -2.392
582 HA SER 96 HA SER 96 11.009 18.608 -1.499
583 1HB SER 96 1HB SER 96 8.908 16.733 -2.534
584 2HB SER 96 2HB SER 96 8.425 18.182 -1.653
585 HG SER 96 HG SER 96 9.850 19.315 -3.200
Start of MODEL 3
1 HA PRO 22 HA PRO 22 2.784 -7.469 4.905
2 1HB PRO 22 1HB PRO 22 4.116 -5.748 2.994
3 2HB PRO 22 2HB PRO 22 3.661 -7.441 2.825
4 1HG PRO 22 1HG PRO 22 2.489 -5.447 1.429
5 2HG PRO 22 2HG PRO 22 1.657 -6.945 1.851
6 1HD PRO 22 1HD PRO 22 1.490 -4.258 3.157
7 2HD PRO 22 2HD PRO 22 0.197 -5.416 2.789
8 H TYR 23 H TYR 23 2.405 -4.057 5.217
9 HA TYR 23 HA TYR 23 4.912 -3.897 6.756
10 1HB TYR 23 1HB TYR 23 3.466 -1.635 5.363
11 2HB TYR 23 2HB TYR 23 5.012 -1.533 6.205
12 HD1 TYR 23 HD1 TYR 23 4.117 -1.011 3.181
13 HD2 TYR 23 HD2 TYR 23 6.226 -4.100 5.209
14 HE1 TYR 23 HE1 TYR 23 5.279 -1.584 1.096
15 HE2 TYR 23 HE2 TYR 23 7.387 -4.680 3.132
16 HH TYR 23 HH TYR 23 7.494 -2.712 0.465
17 H LYS 24 H LYS 24 4.832 -3.028 8.819
18 HA LYS 24 HA LYS 24 2.137 -2.383 9.806
19 1HB LYS 24 1HB LYS 24 3.813 -4.476 10.584
20 2HB LYS 24 2HB LYS 24 3.915 -3.303 11.885
21 1HG LYS 24 1HG LYS 24 2.147 -5.056 12.154
22 2HG LYS 24 2HG LYS 24 1.583 -3.390 12.281
23 1HD LYS 24 1HD LYS 24 1.488 -4.498 9.562
24 2HD LYS 24 2HD LYS 24 0.442 -5.322 10.720
25 1HE LYS 24 1HE LYS 24 0.101 -2.590 11.218
26 2HE LYS 24 2HE LYS 24 0.121 -2.748 9.463
27 1HZ LYS 24 1HZ LYS 24 -1.876 -3.691 9.478
28 2HZ LYS 24 2HZ LYS 24 -2.014 -3.210 11.092
29 3HZ LYS 24 3HZ LYS 24 -1.469 -4.767 10.717
30 H THR 25 H THR 25 5.612 -1.693 10.214
31 HA THR 25 HA THR 25 4.808 0.857 11.438
32 HB THR 25 HB THR 25 6.766 0.791 12.858
33 HG1 THR 25 HG1 THR 25 8.253 -0.770 12.737
34 1HG2 THR 25 1HG2 THR 25 5.240 -0.204 14.177
35 2HG2 THR 25 2HG2 THR 25 6.301 -1.597 13.958
36 3HG2 THR 25 3HG2 THR 25 4.841 -1.437 12.979
37 H LYS 26 H LYS 26 7.636 -0.735 9.972
38 HA LYS 26 HA LYS 26 7.878 0.898 7.735
39 1HB LYS 26 1HB LYS 26 8.854 2.140 10.184
40 2HB LYS 26 2HB LYS 26 10.125 1.978 8.984
41 1HG LYS 26 1HG LYS 26 8.775 3.181 7.363
42 2HG LYS 26 2HG LYS 26 7.462 3.313 8.535
43 1HD LYS 26 1HD LYS 26 10.183 4.315 9.248
44 2HD LYS 26 2HD LYS 26 9.141 5.290 8.211
45 1HE LYS 26 1HE LYS 26 7.619 5.683 9.877
46 2HE LYS 26 2HE LYS 26 7.990 4.177 10.716
47 1HZ LYS 26 1HZ LYS 26 10.050 5.132 11.489
48 2HZ LYS 26 2HZ LYS 26 8.762 6.136 11.930
49 3HZ LYS 26 3HZ LYS 26 9.761 6.561 10.634
50 H SER 27 H SER 27 9.845 -0.572 10.315
51 HA SER 27 HA SER 27 12.016 -1.362 8.768
52 1HB SER 27 1HB SER 27 10.915 -2.969 11.075
53 2HB SER 27 2HB SER 27 12.593 -2.836 10.552
54 HG SER 27 HG SER 27 12.331 -0.518 11.082
55 H ASP 28 H ASP 28 8.823 -2.697 8.995
56 HA ASP 28 HA ASP 28 9.324 -5.287 8.021
57 1HB ASP 28 1HB ASP 28 6.931 -3.519 8.207
58 2HB ASP 28 2HB ASP 28 6.835 -4.937 7.166
59 H LEU 29 H LEU 29 9.471 -2.255 6.459
60 HA LEU 29 HA LEU 29 8.660 -2.828 3.876
61 1HB LEU 29 1HB LEU 29 10.847 -1.028 4.887
62 2HB LEU 29 2HB LEU 29 10.354 -1.081 3.206
63 HG LEU 29 HG LEU 29 8.602 -0.293 5.532
64 1HD1 LEU 29 1HD1 LEU 29 9.209 1.570 3.334
65 2HD1 LEU 29 2HD1 LEU 29 10.537 1.215 4.444
66 3HD1 LEU 29 3HD1 LEU 29 9.012 1.866 5.063
67 1HD2 LEU 29 1HD2 LEU 29 6.995 0.363 3.763
68 2HD2 LEU 29 2HD2 LEU 29 7.265 -1.377 3.863
69 3HD2 LEU 29 3HD2 LEU 29 8.030 -0.441 2.581
70 HA PRO 30 HA PRO 30 11.568 -5.544 2.022
71 1HB PRO 30 1HB PRO 30 11.941 -3.686 -0.234
72 2HB PRO 30 2HB PRO 30 11.261 -5.307 -0.227
73 1HG PRO 30 1HG PRO 30 9.712 -3.184 -0.591
74 2HG PRO 30 2HG PRO 30 9.169 -4.557 0.375
75 1HD PRO 30 1HD PRO 30 10.273 -1.934 1.307
76 2HD PRO 30 2HD PRO 30 8.859 -2.829 1.892
77 H GLU 31 H GLU 31 13.656 -5.972 2.181
78 HA GLU 31 HA GLU 31 15.485 -4.233 3.299
79 1HB GLU 31 1HB GLU 31 17.238 -5.837 2.503
80 2HB GLU 31 2HB GLU 31 15.894 -6.584 3.357
81 1HG GLU 31 1HG GLU 31 15.254 -6.564 0.602
82 2HG GLU 31 2HG GLU 31 16.898 -7.170 0.774
83 H SER 32 H SER 32 15.034 -4.988 -0.155
84 HA SER 32 HA SER 32 17.122 -3.345 -1.108
85 1HB SER 32 1HB SER 32 15.765 -3.379 -3.259
86 2HB SER 32 2HB SER 32 16.254 -4.949 -2.623
87 HG SER 32 HG SER 32 13.772 -3.974 -3.051
88 H VAL 33 H VAL 33 14.177 -2.577 0.332
89 HA VAL 33 HA VAL 33 13.961 0.029 -0.956
90 HB VAL 33 HB VAL 33 12.193 -1.342 1.087
91 1HG1 VAL 33 1HG1 VAL 33 12.288 1.436 0.132
92 2HG1 VAL 33 2HG1 VAL 33 11.618 0.773 1.623
93 3HG1 VAL 33 3HG1 VAL 33 10.692 0.689 0.122
94 1HG2 VAL 33 1HG2 VAL 33 10.707 -1.795 -0.637
95 2HG2 VAL 33 2HG2 VAL 33 12.276 -2.106 -1.377
96 3HG2 VAL 33 3HG2 VAL 33 11.425 -0.595 -1.709
97 H LYS 34 H LYS 34 14.173 -1.342 2.315
98 HA LYS 34 HA LYS 34 14.651 1.092 3.657
99 1HB LYS 34 1HB LYS 34 15.409 -1.735 4.429
100 2HB LYS 34 2HB LYS 34 15.396 -0.355 5.520
101 1HG LYS 34 1HG LYS 34 12.994 -0.118 5.219
102 2HG LYS 34 2HG LYS 34 12.994 -1.474 4.088
103 1HD LYS 34 1HD LYS 34 13.758 -1.582 7.006
104 2HD LYS 34 2HD LYS 34 12.263 -2.195 6.296
105 1HE LYS 34 1HE LYS 34 13.409 -3.900 5.125
106 2HE LYS 34 2HE LYS 34 14.977 -3.163 5.434
107 1HZ LYS 34 1HZ LYS 34 13.209 -4.495 7.405
108 2HZ LYS 34 2HZ LYS 34 14.588 -3.612 7.829
109 3HZ LYS 34 3HZ LYS 34 14.737 -5.006 6.882
110 H HIS 35 H HIS 35 16.752 -1.119 1.941
111 HA HIS 35 HA HIS 35 19.206 -0.080 3.059
112 1HB HIS 35 1HB HIS 35 18.457 -2.367 1.545
113 2HB HIS 35 2HB HIS 35 19.705 -1.515 0.655
114 HD2 HIS 35 HD2 HIS 35 19.547 -4.192 3.185
115 HE1 HIS 35 HE1 HIS 35 23.193 -2.182 4.006
116 HE2 HIS 35 HE2 HIS 35 21.827 -4.264 4.402
117 H VAL 36 H VAL 36 17.243 1.600 1.430
118 HA VAL 36 HA VAL 36 19.273 3.030 -0.089
119 HB VAL 36 HB VAL 36 17.669 3.222 -2.037
120 1HG1 VAL 36 1HG1 VAL 36 19.703 1.823 -2.063
121 2HG1 VAL 36 2HG1 VAL 36 18.409 1.150 -3.055
122 3HG1 VAL 36 3HG1 VAL 36 18.752 0.463 -1.467
123 1HG2 VAL 36 1HG2 VAL 36 15.643 2.449 -0.981
124 2HG2 VAL 36 2HG2 VAL 36 16.383 0.888 -0.613
125 3HG2 VAL 36 3HG2 VAL 36 16.059 1.342 -2.289
126 H LEU 37 H LEU 37 16.006 2.803 1.221
127 HA LEU 37 HA LEU 37 15.477 5.599 0.870
128 1HB LEU 37 1HB LEU 37 14.013 3.258 1.808
129 2HB LEU 37 2HB LEU 37 13.676 4.696 2.752
130 HG LEU 37 HG LEU 37 12.537 5.698 1.069
131 1HD1 LEU 37 1HD1 LEU 37 13.034 5.163 -1.391
132 2HD1 LEU 37 2HD1 LEU 37 14.521 4.449 -0.766
133 3HD1 LEU 37 3HD1 LEU 37 14.178 6.157 -0.480
134 1HD2 LEU 37 1HD2 LEU 37 10.986 4.229 0.510
135 2HD2 LEU 37 2HD2 LEU 37 12.019 3.007 1.250
136 3HD2 LEU 37 3HD2 LEU 37 12.110 3.306 -0.486
137 HA PRO 38 HA PRO 38 17.797 7.196 4.175
138 1HB PRO 38 1HB PRO 38 15.608 9.229 4.071
139 2HB PRO 38 2HB PRO 38 17.361 9.462 4.056
140 1HG PRO 38 1HG PRO 38 16.051 9.675 1.784
141 2HG PRO 38 2HG PRO 38 17.545 8.727 1.819
142 1HD PRO 38 1HD PRO 38 14.704 7.771 1.879
143 2HD PRO 38 2HD PRO 38 16.074 7.190 0.908
144 H SER 39 H SER 39 14.598 8.395 5.131
145 HA SER 39 HA SER 39 14.476 6.463 7.302
146 1HB SER 39 1HB SER 39 14.216 9.290 8.185
147 2HB SER 39 2HB SER 39 14.836 7.887 9.053
148 HG SER 39 HG SER 39 16.164 9.336 7.005
149 H HIS 40 H HIS 40 12.978 9.665 6.815
150 HA HIS 40 HA HIS 40 10.390 8.751 7.469
151 1HB HIS 40 1HB HIS 40 11.117 11.111 7.642
152 2HB HIS 40 2HB HIS 40 11.140 11.215 5.887
153 HD2 HIS 40 HD2 HIS 40 9.135 13.256 6.483
154 HE1 HIS 40 HE1 HIS 40 6.072 10.361 6.947
155 HE2 HIS 40 HE2 HIS 40 6.590 12.800 6.574
156 H ALA 41 H ALA 41 12.223 8.255 4.685
157 HA ALA 41 HA ALA 41 10.194 8.323 2.697
158 1HB ALA 41 1HB ALA 41 11.771 7.414 1.259
159 2HB ALA 41 2HB ALA 41 12.590 6.541 2.560
160 3HB ALA 41 3HB ALA 41 12.762 8.280 2.427
161 H GLN 42 H GLN 42 11.251 5.974 5.038
162 HA GLN 42 HA GLN 42 9.933 3.730 3.851
163 1HB GLN 42 1HB GLN 42 10.816 4.121 6.721
164 2HB GLN 42 2HB GLN 42 10.479 2.591 5.929
165 1HG GLN 42 1HG GLN 42 12.516 2.477 5.060
166 2HG GLN 42 2HG GLN 42 12.421 4.134 4.456
167 1HE2 GLN 42 1HE2 GLN 42 14.763 3.925 5.069
168 2HE2 GLN 42 2HE2 GLN 42 15.198 4.382 6.679
169 H ASP 43 H ASP 43 9.141 6.129 6.311
170 HA ASP 43 HA ASP 43 6.640 5.013 7.077
171 1HB ASP 43 1HB ASP 43 7.956 6.842 8.301
172 2HB ASP 43 2HB ASP 43 7.348 7.957 7.082
173 H ILE 44 H ILE 44 7.756 7.260 4.667
174 HA ILE 44 HA ILE 44 5.254 7.994 3.548
175 HB ILE 44 HB ILE 44 8.074 7.975 2.437
176 1HG1 ILE 44 1HG1 ILE 44 6.240 10.170 3.415
177 2HG1 ILE 44 2HG1 ILE 44 7.658 9.562 4.246
178 1HG2 ILE 44 1HG2 ILE 44 5.659 8.131 0.950
179 2HG2 ILE 44 2HG2 ILE 44 7.303 8.397 0.379
180 3HG2 ILE 44 3HG2 ILE 44 6.350 9.750 0.984
181 1HD1 ILE 44 1HD1 ILE 44 8.629 10.314 1.784
182 2HD1 ILE 44 2HD1 ILE 44 8.758 11.230 3.286
183 3HD1 ILE 44 3HD1 ILE 44 7.439 11.552 2.165
184 H TYR 45 H TYR 45 7.762 5.735 2.536
185 HA TYR 45 HA TYR 45 6.519 4.557 0.366
186 1HB TYR 45 1HB TYR 45 8.877 4.206 0.979
187 2HB TYR 45 2HB TYR 45 8.354 3.243 2.350
188 HD1 TYR 45 HD1 TYR 45 6.888 1.173 1.807
189 HD2 TYR 45 HD2 TYR 45 9.325 3.161 -1.043
190 HE1 TYR 45 HE1 TYR 45 6.864 -0.836 0.390
191 HE2 TYR 45 HE2 TYR 45 9.310 1.169 -2.466
192 HH TYR 45 HH TYR 45 8.148 -1.865 -1.371
193 H LYS 46 H LYS 46 6.471 3.519 3.759
194 HA LYS 46 HA LYS 46 4.793 1.297 3.364
195 1HB LYS 46 1HB LYS 46 6.152 1.483 5.352
196 2HB LYS 46 2HB LYS 46 5.316 2.954 5.833
197 1HG LYS 46 1HG LYS 46 3.267 1.715 6.165
198 2HG LYS 46 2HG LYS 46 4.044 0.237 5.607
199 1HD LYS 46 1HD LYS 46 4.831 -0.170 7.646
200 2HD LYS 46 2HD LYS 46 5.604 1.415 7.704
201 1HE LYS 46 1HE LYS 46 4.081 1.238 9.550
202 2HE LYS 46 2HE LYS 46 3.424 2.388 8.388
203 1HZ LYS 46 1HZ LYS 46 1.976 0.464 9.439
204 2HZ LYS 46 2HZ LYS 46 2.594 -0.397 8.121
205 3HZ LYS 46 3HZ LYS 46 1.713 1.024 7.864
206 H GLU 47 H GLU 47 4.022 4.574 4.559
207 HA GLU 47 HA GLU 47 1.279 4.137 4.899
208 1HB GLU 47 1HB GLU 47 2.697 6.717 4.228
209 2HB GLU 47 2HB GLU 47 1.044 6.587 4.811
210 1HG GLU 47 1HG GLU 47 3.030 5.255 6.495
211 2HG GLU 47 2HG GLU 47 3.219 7.002 6.372
212 H ALA 48 H ALA 48 3.115 4.951 2.037
213 HA ALA 48 HA ALA 48 0.782 5.561 0.473
214 1HB ALA 48 1HB ALA 48 2.475 5.349 -1.445
215 2HB ALA 48 2HB ALA 48 3.684 5.205 -0.166
216 3HB ALA 48 3HB ALA 48 2.691 6.655 -0.281
217 H PHE 49 H PHE 49 2.880 2.795 0.999
218 HA PHE 49 HA PHE 49 1.787 1.106 -0.978
219 1HB PHE 49 1HB PHE 49 3.907 0.570 0.101
220 2HB PHE 49 2HB PHE 49 3.111 0.429 1.653
221 HD1 PHE 49 HD1 PHE 49 1.120 -1.387 1.667
222 HD2 PHE 49 HD2 PHE 49 4.399 -1.326 -1.050
223 HE1 PHE 49 HE1 PHE 49 0.788 -3.783 1.211
224 HE2 PHE 49 HE2 PHE 49 4.065 -3.716 -1.499
225 HZ PHE 49 HZ PHE 49 2.255 -4.952 -0.386
226 H ASN 50 H ASN 50 1.123 1.338 2.534
227 HA ASN 50 HA ASN 50 -0.909 -0.541 2.666
228 1HB ASN 50 1HB ASN 50 -0.141 1.838 4.283
229 2HB ASN 50 2HB ASN 50 -1.728 1.131 4.573
230 1HD2 ASN 50 1HD2 ASN 50 1.393 -0.329 3.753
231 2HD2 ASN 50 2HD2 ASN 50 1.471 -1.357 5.140
232 H SER 51 H SER 51 -1.106 2.927 1.945
233 HA SER 51 HA SER 51 -3.878 3.168 1.818
234 1HB SER 51 1HB SER 51 -1.859 4.914 1.501
235 2HB SER 51 2HB SER 51 -2.282 4.672 -0.193
236 HG SER 51 HG SER 51 -3.476 6.251 1.494
237 H ALA 52 H ALA 52 -1.554 2.280 -0.700
238 HA ALA 52 HA ALA 52 -3.547 1.894 -2.714
239 1HB ALA 52 1HB ALA 52 -1.115 2.396 -3.141
240 2HB ALA 52 2HB ALA 52 -1.793 1.073 -4.090
241 3HB ALA 52 3HB ALA 52 -0.776 0.725 -2.692
242 H TRP 53 H TRP 53 -2.100 -0.043 -0.222
243 HA TRP 53 HA TRP 53 -2.880 -2.595 -1.197
244 1HB TRP 53 1HB TRP 53 -1.175 -2.604 0.432
245 2HB TRP 53 2HB TRP 53 -2.053 -1.512 1.488
246 HD1 TRP 53 HD1 TRP 53 -1.647 -5.181 0.649
247 HE1 TRP 53 HE1 TRP 53 -2.894 -6.599 2.386
248 HE3 TRP 53 HE3 TRP 53 -4.145 -1.451 3.092
249 HZ2 TRP 53 HZ2 TRP 53 -4.706 -6.198 4.509
250 HZ3 TRP 53 HZ3 TRP 53 -5.618 -2.057 4.967
251 HH2 TRP 53 HH2 TRP 53 -5.890 -4.382 5.660
252 H ASP 54 H ASP 54 -4.240 -0.501 1.359
253 HA ASP 54 HA ASP 54 -6.595 -2.018 1.715
254 1HB ASP 54 1HB ASP 54 -5.766 -0.429 3.405
255 2HB ASP 54 2HB ASP 54 -6.088 0.911 2.307
256 H GLN 55 H GLN 55 -5.726 0.651 -0.383
257 HA GLN 55 HA GLN 55 -8.355 1.196 -1.305
258 1HB GLN 55 1HB GLN 55 -5.616 1.879 -2.301
259 2HB GLN 55 2HB GLN 55 -7.010 2.169 -3.333
260 1HG GLN 55 1HG GLN 55 -7.856 3.303 -1.032
261 2HG GLN 55 2HG GLN 55 -6.121 3.582 -0.918
262 1HE2 GLN 55 1HE2 GLN 55 -5.206 5.129 -2.129
263 2HE2 GLN 55 2HE2 GLN 55 -6.054 6.109 -3.273
264 H TYR 56 H TYR 56 -6.034 -1.191 -2.029
265 HA TYR 56 HA TYR 56 -7.034 -1.949 -4.592
266 1HB TYR 56 1HB TYR 56 -4.775 -2.545 -3.122
267 2HB TYR 56 2HB TYR 56 -5.676 -4.054 -3.075
268 HD1 TYR 56 HD1 TYR 56 -4.297 -1.515 -5.401
269 HD2 TYR 56 HD2 TYR 56 -5.705 -5.486 -4.888
270 HE1 TYR 56 HE1 TYR 56 -3.491 -2.083 -7.649
271 HE2 TYR 56 HE2 TYR 56 -4.902 -6.068 -7.133
272 HH TYR 56 HH TYR 56 -2.776 -4.695 -8.746
273 H LYS 57 H LYS 57 -9.284 -1.729 -3.293
274 HA LYS 57 HA LYS 57 -10.103 -4.171 -2.007
275 1HB LYS 57 1HB LYS 57 -11.066 -1.504 -2.191
276 2HB LYS 57 2HB LYS 57 -12.338 -2.568 -2.773
277 1HG LYS 57 1HG LYS 57 -10.919 -2.960 -0.150
278 2HG LYS 57 2HG LYS 57 -12.419 -2.049 -0.329
279 1HD LYS 57 1HD LYS 57 -12.263 -4.818 -1.424
280 2HD LYS 57 2HD LYS 57 -12.460 -4.593 0.316
281 1HE LYS 57 1HE LYS 57 -14.648 -4.755 -0.475
282 2HE LYS 57 2HE LYS 57 -14.387 -3.019 -0.307
283 1HZ LYS 57 1HZ LYS 57 -14.644 -2.710 -2.485
284 2HZ LYS 57 2HZ LYS 57 -15.293 -4.272 -2.533
285 3HZ LYS 57 3HZ LYS 57 -13.658 -4.023 -2.896
286 H ASP 58 H ASP 58 -9.520 -3.409 -5.133
287 HA ASP 58 HA ASP 58 -11.795 -4.686 -6.366
288 1HB ASP 58 1HB ASP 58 -9.949 -2.858 -7.234
289 2HB ASP 58 2HB ASP 58 -9.344 -4.339 -7.964
290 H LYS 59 H LYS 59 -8.416 -5.432 -5.690
291 HA LYS 59 HA LYS 59 -8.789 -8.168 -6.670
292 1HB LYS 59 1HB LYS 59 -6.798 -6.645 -7.305
293 2HB LYS 59 2HB LYS 59 -6.203 -7.006 -5.692
294 1HG LYS 59 1HG LYS 59 -5.479 -9.008 -6.298
295 2HG LYS 59 2HG LYS 59 -7.003 -9.385 -7.093
296 1HD LYS 59 1HD LYS 59 -5.054 -7.535 -8.395
297 2HD LYS 59 2HD LYS 59 -4.834 -9.281 -8.506
298 1HE LYS 59 1HE LYS 59 -7.554 -8.703 -9.060
299 2HE LYS 59 2HE LYS 59 -6.562 -7.606 -10.020
300 1HZ LYS 59 1HZ LYS 59 -6.930 -9.587 -11.265
301 2HZ LYS 59 2HZ LYS 59 -6.427 -10.570 -9.985
302 3HZ LYS 59 3HZ LYS 59 -5.309 -9.586 -10.784
303 H GLU 60 H GLU 60 -10.038 -7.349 -4.233
304 HA GLU 60 HA GLU 60 -8.469 -8.343 -2.035
305 1HB GLU 60 1HB GLU 60 -10.527 -7.996 -0.707
306 2HB GLU 60 2HB GLU 60 -10.056 -6.565 -1.615
307 1HG GLU 60 1HG GLU 60 -12.093 -6.471 -2.451
308 2HG GLU 60 2HG GLU 60 -11.807 -8.001 -3.272
309 H ASP 61 H ASP 61 -11.089 -9.553 -4.062
310 HA ASP 61 HA ASP 61 -10.936 -12.130 -2.656
311 1HB ASP 61 1HB ASP 61 -13.112 -12.624 -3.785
312 2HB ASP 61 2HB ASP 61 -13.180 -11.253 -2.683
313 H ARG 62 H ARG 62 -9.051 -11.108 -4.692
314 HA ARG 62 HA ARG 62 -9.513 -13.049 -6.838
315 1HB ARG 62 1HB ARG 62 -7.575 -10.743 -6.752
316 2HB ARG 62 2HB ARG 62 -7.861 -11.797 -8.124
317 1HG ARG 62 1HG ARG 62 -9.944 -10.018 -6.891
318 2HG ARG 62 2HG ARG 62 -8.960 -9.584 -8.287
319 1HD ARG 62 1HD ARG 62 -10.368 -12.179 -8.417
320 2HD ARG 62 2HD ARG 62 -11.379 -10.740 -8.488
321 HE ARG 62 HE ARG 62 -9.965 -10.043 -10.411
322 1HH1 ARG 62 1HH1 ARG 62 -10.169 -13.437 -9.571
323 2HH1 ARG 62 2HH1 ARG 62 -9.813 -13.976 -11.176
324 1HH2 ARG 62 1HH2 ARG 62 -9.499 -10.768 -12.515
325 2HH2 ARG 62 2HH2 ARG 62 -9.432 -12.468 -12.841
326 H ARG 63 H ARG 63 -7.993 -14.516 -7.382
327 HA ARG 63 HA ARG 63 -6.328 -15.532 -5.321
328 1HB ARG 63 1HB ARG 63 -5.476 -17.019 -7.236
329 2HB ARG 63 2HB ARG 63 -7.179 -17.140 -6.810
330 1HG ARG 63 1HG ARG 63 -7.038 -15.138 -8.759
331 2HG ARG 63 2HG ARG 63 -5.969 -16.427 -9.317
332 1HD ARG 63 1HD ARG 63 -8.896 -16.597 -8.645
333 2HD ARG 63 2HD ARG 63 -8.112 -16.917 -10.192
334 HE ARG 63 HE ARG 63 -7.179 -18.656 -8.130
335 1HH1 ARG 63 1HH1 ARG 63 -9.789 -18.137 -10.389
336 2HH1 ARG 63 2HH1 ARG 63 -10.226 -19.811 -10.459
337 1HH2 ARG 63 1HH2 ARG 63 -7.751 -20.852 -8.220
338 2HH2 ARG 63 2HH2 ARG 63 -9.069 -21.354 -9.227
339 H ASP 64 H ASP 64 -5.899 -13.144 -7.714
340 HA ASP 64 HA ASP 64 -2.995 -13.359 -7.749
341 1HB ASP 64 1HB ASP 64 -4.196 -12.917 -9.848
342 2HB ASP 64 2HB ASP 64 -4.852 -11.435 -9.158
343 H ASP 65 H ASP 65 -3.817 -12.834 -5.218
344 HA ASP 65 HA ASP 65 -4.132 -10.152 -4.500
345 1HB ASP 65 1HB ASP 65 -3.770 -12.625 -3.162
346 2HB ASP 65 2HB ASP 65 -2.573 -11.511 -2.507
347 H ALA 66 H ALA 66 -1.283 -11.955 -5.392
348 HA ALA 66 HA ALA 66 0.721 -10.334 -4.337
349 1HB ALA 66 1HB ALA 66 2.085 -11.669 -5.465
350 2HB ALA 66 2HB ALA 66 1.398 -11.180 -7.013
351 3HB ALA 66 3HB ALA 66 0.649 -12.484 -6.088
352 H SER 67 H SER 67 -1.161 -9.978 -7.306
353 HA SER 67 HA SER 67 0.150 -7.834 -8.479
354 1HB SER 67 1HB SER 67 -1.809 -9.126 -9.408
355 2HB SER 67 2HB SER 67 -2.857 -8.164 -8.374
356 HG SER 67 HG SER 67 -2.563 -6.474 -9.633
357 H ARG 68 H ARG 68 -2.341 -7.887 -5.986
358 HA ARG 68 HA ARG 68 -2.679 -5.136 -5.629
359 1HB ARG 68 1HB ARG 68 -4.156 -6.759 -4.539
360 2HB ARG 68 2HB ARG 68 -2.802 -7.365 -3.580
361 1HG ARG 68 1HG ARG 68 -3.461 -4.479 -3.364
362 2HG ARG 68 2HG ARG 68 -4.547 -5.641 -2.602
363 1HD ARG 68 1HD ARG 68 -1.563 -5.571 -2.135
364 2HD ARG 68 2HD ARG 68 -2.737 -4.747 -1.114
365 HE ARG 68 HE ARG 68 -3.691 -7.210 -1.021
366 1HH1 ARG 68 1HH1 ARG 68 -0.380 -6.118 -0.768
367 2HH1 ARG 68 2HH1 ARG 68 0.099 -7.420 0.264
368 1HH2 ARG 68 1HH2 ARG 68 -3.056 -8.914 0.347
369 2HH2 ARG 68 2HH2 ARG 68 -1.416 -9.005 0.899
370 H GLU 69 H GLU 69 -0.680 -7.308 -3.632
371 HA GLU 69 HA GLU 69 0.740 -5.436 -2.224
372 1HB GLU 69 1HB GLU 69 0.900 -7.831 -1.792
373 2HB GLU 69 2HB GLU 69 1.733 -8.083 -3.323
374 1HG GLU 69 1HG GLU 69 3.675 -7.057 -2.552
375 2HG GLU 69 2HG GLU 69 2.832 -6.268 -1.230
376 H GLU 70 H GLU 70 1.486 -6.810 -5.406
377 HA GLU 70 HA GLU 70 3.863 -5.497 -5.948
378 1HB GLU 70 1HB GLU 70 2.134 -7.157 -7.330
379 2HB GLU 70 2HB GLU 70 2.072 -5.667 -8.258
380 1HG GLU 70 1HG GLU 70 3.773 -6.879 -9.259
381 2HG GLU 70 2HG GLU 70 4.630 -5.750 -8.208
382 H THR 71 H THR 71 0.594 -4.483 -6.987
383 HA THR 71 HA THR 71 1.269 -2.007 -8.018
384 HB THR 71 HB THR 71 -1.248 -2.823 -6.563
385 HG1 THR 71 HG1 THR 71 -1.967 -2.691 -8.859
386 1HG2 THR 71 1HG2 THR 71 -0.502 -0.239 -7.810
387 2HG2 THR 71 2HG2 THR 71 -1.551 -0.574 -6.430
388 3HG2 THR 71 3HG2 THR 71 -2.137 -0.850 -8.072
389 H ALA 72 H ALA 72 0.338 -2.749 -4.650
390 HA ALA 72 HA ALA 72 0.495 -0.208 -3.593
391 1HB ALA 72 1HB ALA 72 0.468 -1.190 -1.522
392 2HB ALA 72 2HB ALA 72 1.643 -2.418 -1.979
393 3HB ALA 72 3HB ALA 72 -0.028 -2.570 -2.503
394 H HIS 73 H HIS 73 3.095 -2.563 -4.071
395 HA HIS 73 HA HIS 73 5.245 -1.111 -3.045
396 1HB HIS 73 1HB HIS 73 5.010 -3.148 -5.243
397 2HB HIS 73 2HB HIS 73 6.539 -2.324 -4.986
398 HD2 HIS 73 HD2 HIS 73 4.370 -5.116 -3.387
399 HE1 HIS 73 HE1 HIS 73 7.945 -4.750 -1.129
400 HE2 HIS 73 HE2 HIS 73 5.838 -6.083 -1.491
401 H LYS 74 H LYS 74 3.878 -1.159 -6.314
402 HA LYS 74 HA LYS 74 5.543 0.733 -7.498
403 1HB LYS 74 1HB LYS 74 2.738 -0.186 -8.071
404 2HB LYS 74 2HB LYS 74 3.512 1.059 -9.048
405 1HG LYS 74 1HG LYS 74 4.410 -0.545 -10.270
406 2HG LYS 74 2HG LYS 74 5.378 -1.009 -8.877
407 1HD LYS 74 1HD LYS 74 4.344 -2.975 -8.911
408 2HD LYS 74 2HD LYS 74 2.867 -2.139 -8.439
409 1HE LYS 74 1HE LYS 74 2.394 -3.426 -10.401
410 2HE LYS 74 2HE LYS 74 2.411 -1.721 -10.853
411 1HZ LYS 74 1HZ LYS 74 4.134 -2.032 -12.213
412 2HZ LYS 74 2HZ LYS 74 3.788 -3.684 -12.105
413 3HZ LYS 74 3HZ LYS 74 4.975 -3.003 -11.111
414 H VAL 75 H VAL 75 2.451 1.136 -5.844
415 HA VAL 75 HA VAL 75 2.237 3.925 -6.285
416 HB VAL 75 HB VAL 75 1.038 2.274 -4.057
417 1HG1 VAL 75 1HG1 VAL 75 -0.722 4.109 -4.163
418 2HG1 VAL 75 2HG1 VAL 75 0.456 5.041 -5.089
419 3HG1 VAL 75 3HG1 VAL 75 0.826 4.547 -3.437
420 1HG2 VAL 75 1HG2 VAL 75 0.324 2.742 -6.902
421 2HG2 VAL 75 2HG2 VAL 75 -0.975 2.549 -5.722
422 3HG2 VAL 75 3HG2 VAL 75 0.219 1.266 -5.943
423 H ALA 76 H ALA 76 3.139 2.107 -3.355
424 HA ALA 76 HA ALA 76 3.869 4.137 -1.696
425 1HB ALA 76 1HB ALA 76 5.751 2.391 -0.996
426 2HB ALA 76 2HB ALA 76 4.763 1.339 -2.014
427 3HB ALA 76 3HB ALA 76 4.042 2.154 -0.624
428 H TRP 77 H TRP 77 5.871 2.652 -4.187
429 HA TRP 77 HA TRP 77 8.197 4.160 -3.699
430 1HB TRP 77 1HB TRP 77 7.176 2.542 -5.960
431 2HB TRP 77 2HB TRP 77 8.409 3.735 -6.352
432 HD1 TRP 77 HD1 TRP 77 8.069 0.296 -5.245
433 HE1 TRP 77 HE1 TRP 77 10.282 -0.629 -4.316
434 HE3 TRP 77 HE3 TRP 77 10.595 4.692 -4.714
435 HZ2 TRP 77 HZ2 TRP 77 12.775 0.385 -3.461
436 HZ3 TRP 77 HZ3 TRP 77 12.889 4.634 -3.827
437 HH2 TRP 77 HH2 TRP 77 13.955 2.524 -3.212
438 H ALA 78 H ALA 78 5.382 4.743 -5.759
439 HA ALA 78 HA ALA 78 6.165 7.043 -7.065
440 1HB ALA 78 1HB ALA 78 3.976 5.778 -7.308
441 2HB ALA 78 2HB ALA 78 3.869 7.537 -7.381
442 3HB ALA 78 3HB ALA 78 3.406 6.686 -5.908
443 H ALA 79 H ALA 79 4.807 6.702 -3.814
444 HA ALA 79 HA ALA 79 4.783 9.440 -3.140
445 1HB ALA 79 1HB ALA 79 5.159 8.092 -0.771
446 2HB ALA 79 2HB ALA 79 4.389 6.883 -1.793
447 3HB ALA 79 3HB ALA 79 3.604 8.440 -1.517
448 H VAL 80 H VAL 80 7.115 6.834 -2.664
449 HA VAL 80 HA VAL 80 9.061 8.290 -1.293
450 HB VAL 80 HB VAL 80 9.342 5.871 -3.103
451 1HG1 VAL 80 1HG1 VAL 80 11.549 5.898 -2.800
452 2HG1 VAL 80 2HG1 VAL 80 11.374 6.187 -1.069
453 3HG1 VAL 80 3HG1 VAL 80 11.379 7.541 -2.190
454 1HG2 VAL 80 1HG2 VAL 80 8.859 6.287 -0.174
455 2HG2 VAL 80 2HG2 VAL 80 9.668 4.832 -0.753
456 3HG2 VAL 80 3HG2 VAL 80 8.035 5.208 -1.302
457 H LYS 81 H LYS 81 8.834 7.564 -4.809
458 HA LYS 81 HA LYS 81 11.068 9.095 -5.536
459 1HB LYS 81 1HB LYS 81 8.616 8.517 -7.203
460 2HB LYS 81 2HB LYS 81 10.204 8.972 -7.802
461 1HG LYS 81 1HG LYS 81 10.996 6.834 -6.555
462 2HG LYS 81 2HG LYS 81 9.292 6.382 -6.639
463 1HD LYS 81 1HD LYS 81 9.467 6.920 -9.139
464 2HD LYS 81 2HD LYS 81 11.213 6.885 -8.891
465 1HE LYS 81 1HE LYS 81 11.094 4.607 -8.094
466 2HE LYS 81 2HE LYS 81 9.333 4.633 -8.197
467 1HZ LYS 81 1HZ LYS 81 11.112 3.867 -10.166
468 2HZ LYS 81 2HZ LYS 81 10.478 5.348 -10.687
469 3HZ LYS 81 3HZ LYS 81 9.439 4.065 -10.322
470 H HIS 82 H HIS 82 7.997 10.072 -4.464
471 HA HIS 82 HA HIS 82 8.002 12.633 -5.824
472 1HB HIS 82 1HB HIS 82 5.924 11.256 -5.152
473 2HB HIS 82 2HB HIS 82 6.210 11.870 -3.528
474 HD2 HIS 82 HD2 HIS 82 5.809 14.680 -3.240
475 HE1 HIS 82 HE1 HIS 82 3.772 15.086 -6.942
476 HE2 HIS 82 HE2 HIS 82 4.405 16.216 -4.779
477 H GLU 83 H GLU 83 8.315 11.454 -2.495
478 HA GLU 83 HA GLU 83 9.225 14.076 -1.591
479 1HB GLU 83 1HB GLU 83 9.097 11.713 0.221
480 2HB GLU 83 2HB GLU 83 8.721 13.397 0.545
481 1HG GLU 83 1HG GLU 83 6.817 12.740 -1.274
482 2HG GLU 83 2HG GLU 83 7.001 11.230 -0.387
483 H TYR 84 H TYR 84 10.537 11.236 -2.766
484 HA TYR 84 HA TYR 84 13.182 11.955 -1.726
485 1HB TYR 84 1HB TYR 84 11.890 9.244 -1.717
486 2HB TYR 84 2HB TYR 84 13.638 9.419 -1.688
487 HD1 TYR 84 HD1 TYR 84 14.770 10.065 0.304
488 HD2 TYR 84 HD2 TYR 84 10.522 10.160 0.139
489 HE1 TYR 84 HE1 TYR 84 14.689 10.432 2.735
490 HE2 TYR 84 HE2 TYR 84 10.437 10.524 2.569
491 HH TYR 84 HH TYR 84 11.619 10.561 4.465
492 H ALA 85 H ALA 85 14.923 11.553 -3.025
493 HA ALA 85 HA ALA 85 14.320 10.817 -5.818
494 1HB ALA 85 1HB ALA 85 16.464 12.424 -6.116
495 2HB ALA 85 2HB ALA 85 15.705 13.174 -4.710
496 3HB ALA 85 3HB ALA 85 14.795 12.991 -6.211
497 H LYS 86 H LYS 86 15.876 9.621 -6.941
498 HA LYS 86 HA LYS 86 17.793 8.220 -5.241
499 1HB LYS 86 1HB LYS 86 16.211 7.046 -6.906
500 2HB LYS 86 2HB LYS 86 17.289 7.650 -8.155
501 1HG LYS 86 1HG LYS 86 19.144 6.428 -7.198
502 2HG LYS 86 2HG LYS 86 18.126 5.897 -5.857
503 1HD LYS 86 1HD LYS 86 18.062 4.060 -7.252
504 2HD LYS 86 2HD LYS 86 16.610 4.936 -7.742
505 1HE LYS 86 1HE LYS 86 17.394 4.826 -9.824
506 2HE LYS 86 2HE LYS 86 18.601 6.014 -9.331
507 1HZ LYS 86 1HZ LYS 86 20.216 4.436 -9.156
508 2HZ LYS 86 2HZ LYS 86 19.292 3.734 -10.385
509 3HZ LYS 86 3HZ LYS 86 19.136 3.183 -8.795
510 H GLY 87 H GLY 87 19.923 8.725 -5.246
511 1HA GLY 87 1HA GLY 87 20.825 10.887 -6.902
512 2HA GLY 87 2HA GLY 87 21.789 9.989 -5.738
513 H ASP 88 H ASP 88 23.416 10.273 -7.580
514 HA ASP 88 HA ASP 88 23.039 8.853 -9.982
515 1HB ASP 88 1HB ASP 88 25.420 9.205 -10.348
516 2HB ASP 88 2HB ASP 88 24.679 10.674 -9.718
517 H ASP 89 H ASP 89 22.501 7.236 -7.517
518 HA ASP 89 HA ASP 89 24.044 4.921 -8.328
519 1HB ASP 89 1HB ASP 89 23.733 5.556 -5.392
520 2HB ASP 89 2HB ASP 89 24.773 4.349 -6.143
521 H ASP 90 H ASP 90 22.968 3.358 -6.099
522 HA ASP 90 HA ASP 90 20.165 3.321 -6.977
523 1HB ASP 90 1HB ASP 90 22.108 1.244 -6.617
524 2HB ASP 90 2HB ASP 90 20.772 0.971 -5.508
525 H LYS 91 H LYS 91 21.024 5.176 -5.082
526 HA LYS 91 HA LYS 91 19.530 4.273 -2.718
527 1HB LYS 91 1HB LYS 91 22.157 5.603 -2.921
528 2HB LYS 91 2HB LYS 91 21.100 6.178 -1.660
529 1HG LYS 91 1HG LYS 91 21.020 4.034 -0.641
530 2HG LYS 91 2HG LYS 91 21.790 3.286 -2.045
531 1HD LYS 91 1HD LYS 91 23.434 5.419 -1.008
532 2HD LYS 91 2HD LYS 91 23.036 4.253 0.278
533 1HE LYS 91 1HE LYS 91 23.674 2.739 -2.013
534 2HE LYS 91 2HE LYS 91 24.896 4.006 -1.900
535 1HZ LYS 91 1HZ LYS 91 25.642 2.141 -0.655
536 2HZ LYS 91 2HZ LYS 91 24.179 2.020 0.184
537 3HZ LYS 91 3HZ LYS 91 25.203 3.338 0.458
538 H TRP 92 H TRP 92 18.434 6.035 -1.569
539 HA TRP 92 HA TRP 92 17.844 8.287 -3.362
540 1HB TRP 92 1HB TRP 92 15.865 6.915 -1.547
541 2HB TRP 92 2HB TRP 92 15.522 8.214 -2.684
542 HD1 TRP 92 HD1 TRP 92 16.904 4.592 -2.852
543 HE1 TRP 92 HE1 TRP 92 15.984 3.492 -4.988
544 HE3 TRP 92 HE3 TRP 92 14.330 8.569 -4.760
545 HZ2 TRP 92 HZ2 TRP 92 14.379 4.217 -7.190
546 HZ3 TRP 92 HZ3 TRP 92 13.127 8.285 -6.887
547 HH2 TRP 92 HH2 TRP 92 13.152 6.153 -8.078
548 H HIS 93 H HIS 93 16.928 10.180 -2.374
549 HA HIS 93 HA HIS 93 17.466 10.606 0.463
550 1HB HIS 93 1HB HIS 93 18.638 12.753 -0.054
551 2HB HIS 93 2HB HIS 93 19.538 11.330 -0.568
552 HD2 HIS 93 HD2 HIS 93 18.988 10.808 -3.498
553 HE1 HIS 93 HE1 HIS 93 18.791 14.988 -4.205
554 HE2 HIS 93 HE2 HIS 93 19.117 12.716 -5.241
555 H LYS 94 H LYS 94 15.992 12.051 1.381
556 HA LYS 94 HA LYS 94 13.595 12.453 0.045
557 1HB LYS 94 1HB LYS 94 14.084 12.617 2.587
558 2HB LYS 94 2HB LYS 94 14.356 14.320 2.247
559 1HG LYS 94 1HG LYS 94 12.115 14.472 1.249
560 2HG LYS 94 2HG LYS 94 11.835 12.781 1.646
561 1HD LYS 94 1HD LYS 94 12.172 13.327 4.041
562 2HD LYS 94 2HD LYS 94 12.327 15.028 3.597
563 1HE LYS 94 1HE LYS 94 10.001 14.442 2.377
564 2HE LYS 94 2HE LYS 94 9.931 13.304 3.722
565 1HZ LYS 94 1HZ LYS 94 8.905 15.459 4.236
566 2HZ LYS 94 2HZ LYS 94 10.395 16.224 4.004
567 3HZ LYS 94 3HZ LYS 94 10.203 15.111 5.264
568 H LYS 95 H LYS 95 12.876 13.742 -1.360
569 HA LYS 95 HA LYS 95 14.422 15.944 -2.348
570 1HB LYS 95 1HB LYS 95 11.914 14.538 -3.159
571 2HB LYS 95 2HB LYS 95 12.290 16.109 -3.833
572 1HG LYS 95 1HG LYS 95 14.363 13.992 -3.904
573 2HG LYS 95 2HG LYS 95 13.021 13.916 -5.047
574 1HD LYS 95 1HD LYS 95 14.275 16.559 -4.804
575 2HD LYS 95 2HD LYS 95 15.335 15.302 -5.449
576 1HE LYS 95 1HE LYS 95 13.807 14.819 -7.216
577 2HE LYS 95 2HE LYS 95 12.564 15.840 -6.501
578 1HZ LYS 95 1HZ LYS 95 14.494 17.618 -6.782
579 2HZ LYS 95 2HZ LYS 95 13.374 17.295 -8.007
580 3HZ LYS 95 3HZ LYS 95 14.910 16.586 -8.058
581 H SER 96 H SER 96 10.939 15.861 -1.866
582 HA SER 96 HA SER 96 10.732 18.575 -1.148
583 1HB SER 96 1HB SER 96 8.939 16.717 -1.931
584 2HB SER 96 2HB SER 96 8.606 16.739 -0.199
585 HG SER 96 HG SER 96 7.554 18.343 -1.802
Start of MODEL 4
1 HA PRO 22 HA PRO 22 3.082 -7.624 4.514
2 1HB PRO 22 1HB PRO 22 4.294 -5.686 2.698
3 2HB PRO 22 2HB PRO 22 4.016 -7.407 2.456
4 1HG PRO 22 1HG PRO 22 2.652 -5.542 1.103
5 2HG PRO 22 2HG PRO 22 1.931 -7.091 1.557
6 1HD PRO 22 1HD PRO 22 1.652 -4.417 2.886
7 2HD PRO 22 2HD PRO 22 0.397 -5.613 2.503
8 H TYR 23 H TYR 23 2.543 -4.258 5.032
9 HA TYR 23 HA TYR 23 5.035 -4.066 6.594
10 1HB TYR 23 1HB TYR 23 3.472 -1.777 5.382
11 2HB TYR 23 2HB TYR 23 5.033 -1.680 6.194
12 HD1 TYR 23 HD1 TYR 23 4.045 -0.961 3.237
13 HD2 TYR 23 HD2 TYR 23 6.309 -4.113 4.985
14 HE1 TYR 23 HE1 TYR 23 5.173 -1.338 1.085
15 HE2 TYR 23 HE2 TYR 23 7.437 -4.497 2.846
16 HH TYR 23 HH TYR 23 7.059 -4.101 0.461
17 H LYS 24 H LYS 24 4.892 -3.364 8.718
18 HA LYS 24 HA LYS 24 2.158 -2.914 9.706
19 1HB LYS 24 1HB LYS 24 4.436 -4.402 10.997
20 2HB LYS 24 2HB LYS 24 2.965 -3.950 11.849
21 1HG LYS 24 1HG LYS 24 3.041 -5.665 9.374
22 2HG LYS 24 2HG LYS 24 2.970 -6.286 11.025
23 1HD LYS 24 1HD LYS 24 0.942 -4.265 10.282
24 2HD LYS 24 2HD LYS 24 0.790 -5.849 9.518
25 1HE LYS 24 1HE LYS 24 0.297 -6.893 11.474
26 2HE LYS 24 2HE LYS 24 1.301 -5.809 12.434
27 1HZ LYS 24 1HZ LYS 24 -1.466 -5.420 11.498
28 2HZ LYS 24 2HZ LYS 24 -0.500 -4.084 11.871
29 3HZ LYS 24 3HZ LYS 24 -0.834 -5.243 13.057
30 H THR 25 H THR 25 5.584 -2.055 10.168
31 HA THR 25 HA THR 25 4.644 0.334 11.598
32 HB THR 25 HB THR 25 6.550 0.245 13.047
33 HG1 THR 25 HG1 THR 25 8.259 -0.562 12.121
34 1HG2 THR 25 1HG2 THR 25 4.737 -1.985 12.920
35 2HG2 THR 25 2HG2 THR 25 5.416 -1.160 14.326
36 3HG2 THR 25 3HG2 THR 25 6.306 -2.476 13.560
37 H LYS 26 H LYS 26 7.497 -0.991 9.947
38 HA LYS 26 HA LYS 26 7.639 0.795 7.851
39 1HB LYS 26 1HB LYS 26 7.926 2.621 9.374
40 2HB LYS 26 2HB LYS 26 9.144 1.746 10.292
41 1HG LYS 26 1HG LYS 26 10.222 1.819 7.768
42 2HG LYS 26 2HG LYS 26 9.403 3.375 7.892
43 1HD LYS 26 1HD LYS 26 10.946 2.580 10.264
44 2HD LYS 26 2HD LYS 26 11.903 2.883 8.812
45 1HE LYS 26 1HE LYS 26 10.431 5.036 8.650
46 2HE LYS 26 2HE LYS 26 10.164 4.748 10.369
47 1HZ LYS 26 1HZ LYS 26 12.581 5.586 8.979
48 2HZ LYS 26 2HZ LYS 26 12.795 4.510 10.266
49 3HZ LYS 26 3HZ LYS 26 12.022 5.994 10.523
50 H SER 27 H SER 27 9.765 -0.638 10.329
51 HA SER 27 HA SER 27 11.907 -1.249 8.654
52 1HB SER 27 1HB SER 27 12.144 -1.400 11.052
53 2HB SER 27 2HB SER 27 10.923 -2.669 11.138
54 HG SER 27 HG SER 27 13.501 -2.982 10.852
55 H ASP 28 H ASP 28 8.782 -2.663 8.893
56 HA ASP 28 HA ASP 28 9.299 -5.256 7.948
57 1HB ASP 28 1HB ASP 28 6.900 -3.476 8.029
58 2HB ASP 28 2HB ASP 28 6.832 -4.955 7.075
59 H LEU 29 H LEU 29 9.429 -2.226 6.359
60 HA LEU 29 HA LEU 29 8.688 -2.850 3.767
61 1HB LEU 29 1HB LEU 29 10.850 -1.000 4.748
62 2HB LEU 29 2HB LEU 29 10.291 -1.061 3.085
63 HG LEU 29 HG LEU 29 8.495 -0.421 5.421
64 1HD1 LEU 29 1HD1 LEU 29 9.112 1.709 5.380
65 2HD1 LEU 29 2HD1 LEU 29 9.118 1.760 3.616
66 3HD1 LEU 29 3HD1 LEU 29 10.539 1.172 4.486
67 1HD2 LEU 29 1HD2 LEU 29 8.004 -1.022 2.682
68 2HD2 LEU 29 2HD2 LEU 29 7.602 0.669 2.979
69 3HD2 LEU 29 3HD2 LEU 29 6.853 -0.597 3.948
70 HA PRO 30 HA PRO 30 11.672 -5.547 2.024
71 1HB PRO 30 1HB PRO 30 11.982 -3.757 -0.295
72 2HB PRO 30 2HB PRO 30 11.360 -5.401 -0.230
73 1HG PRO 30 1HG PRO 30 9.738 -3.340 -0.664
74 2HG PRO 30 2HG PRO 30 9.241 -4.702 0.340
75 1HD PRO 30 1HD PRO 30 10.242 -2.013 1.193
76 2HD PRO 30 2HD PRO 30 8.868 -2.948 1.810
77 H GLU 31 H GLU 31 13.791 -5.911 2.158
78 HA GLU 31 HA GLU 31 15.583 -4.118 3.236
79 1HB GLU 31 1HB GLU 31 17.376 -5.637 2.455
80 2HB GLU 31 2HB GLU 31 16.039 -6.493 3.210
81 1HG GLU 31 1HG GLU 31 15.248 -6.598 0.654
82 2HG GLU 31 2HG GLU 31 16.997 -6.546 0.424
83 H SER 32 H SER 32 15.245 -4.950 -0.224
84 HA SER 32 HA SER 32 17.203 -3.202 -1.196
85 1HB SER 32 1HB SER 32 15.822 -3.267 -3.329
86 2HB SER 32 2HB SER 32 16.351 -4.828 -2.703
87 HG SER 32 HG SER 32 14.341 -5.360 -2.360
88 H VAL 33 H VAL 33 14.245 -2.524 0.275
89 HA VAL 33 HA VAL 33 13.971 0.090 -0.986
90 HB VAL 33 HB VAL 33 12.215 -1.337 1.029
91 1HG1 VAL 33 1HG1 VAL 33 11.976 0.996 1.431
92 2HG1 VAL 33 2HG1 VAL 33 10.582 0.490 0.478
93 3HG1 VAL 33 3HG1 VAL 33 11.913 1.350 -0.295
94 1HG2 VAL 33 1HG2 VAL 33 11.159 -0.641 -1.615
95 2HG2 VAL 33 2HG2 VAL 33 10.996 -2.123 -0.677
96 3HG2 VAL 33 3HG2 VAL 33 12.449 -1.841 -1.631
97 H LYS 34 H LYS 34 14.164 -1.308 2.284
98 HA LYS 34 HA LYS 34 14.593 1.124 3.644
99 1HB LYS 34 1HB LYS 34 15.412 -1.677 4.440
100 2HB LYS 34 2HB LYS 34 15.302 -0.293 5.521
101 1HG LYS 34 1HG LYS 34 12.900 -0.168 5.130
102 2HG LYS 34 2HG LYS 34 13.006 -1.540 4.023
103 1HD LYS 34 1HD LYS 34 13.691 -1.569 6.963
104 2HD LYS 34 2HD LYS 34 12.238 -2.250 6.229
105 1HE LYS 34 1HE LYS 34 13.569 -3.852 4.996
106 2HE LYS 34 2HE LYS 34 15.056 -3.125 5.597
107 1HZ LYS 34 1HZ LYS 34 14.440 -3.777 7.833
108 2HZ LYS 34 2HZ LYS 34 14.480 -5.130 6.818
109 3HZ LYS 34 3HZ LYS 34 12.996 -4.455 7.269
110 H HIS 35 H HIS 35 16.759 -1.063 1.988
111 HA HIS 35 HA HIS 35 19.163 0.027 3.159
112 1HB HIS 35 1HB HIS 35 18.489 -2.298 1.700
113 2HB HIS 35 2HB HIS 35 19.703 -1.442 0.767
114 HD2 HIS 35 HD2 HIS 35 19.992 -1.310 4.636
115 HE1 HIS 35 HE1 HIS 35 22.974 -3.951 3.173
116 HE2 HIS 35 HE2 HIS 35 22.044 -2.782 5.201
117 H VAL 36 H VAL 36 17.133 1.490 1.260
118 HA VAL 36 HA VAL 36 19.205 2.983 -0.188
119 HB VAL 36 HB VAL 36 17.687 3.049 -2.183
120 1HG1 VAL 36 1HG1 VAL 36 19.030 0.573 -1.200
121 2HG1 VAL 36 2HG1 VAL 36 19.436 1.602 -2.562
122 3HG1 VAL 36 3HG1 VAL 36 18.087 0.480 -2.684
123 1HG2 VAL 36 1HG2 VAL 36 15.953 1.299 -2.351
124 2HG2 VAL 36 2HG2 VAL 36 15.607 2.448 -1.057
125 3HG2 VAL 36 3HG2 VAL 36 16.259 0.850 -0.667
126 H LEU 37 H LEU 37 15.951 2.755 1.117
127 HA LEU 37 HA LEU 37 15.417 5.567 0.658
128 1HB LEU 37 1HB LEU 37 13.848 3.219 1.176
129 2HB LEU 37 2HB LEU 37 13.460 4.462 2.342
130 HG LEU 37 HG LEU 37 12.545 5.856 0.776
131 1HD1 LEU 37 1HD1 LEU 37 13.049 5.275 -1.771
132 2HD1 LEU 37 2HD1 LEU 37 14.541 4.679 -1.049
133 3HD1 LEU 37 3HD1 LEU 37 14.062 6.361 -0.814
134 1HD2 LEU 37 1HD2 LEU 37 11.930 3.077 0.482
135 2HD2 LEU 37 2HD2 LEU 37 11.684 3.922 -1.047
136 3HD2 LEU 37 3HD2 LEU 37 10.860 4.474 0.412
137 HA PRO 38 HA PRO 38 17.051 6.969 4.492
138 1HB PRO 38 1HB PRO 38 15.163 9.195 3.897
139 2HB PRO 38 2HB PRO 38 16.902 9.258 4.216
140 1HG PRO 38 1HG PRO 38 16.062 9.589 1.739
141 2HG PRO 38 2HG PRO 38 17.431 8.508 2.036
142 1HD PRO 38 1HD PRO 38 14.549 7.809 1.639
143 2HD PRO 38 2HD PRO 38 15.976 7.141 0.830
144 H SER 39 H SER 39 15.999 8.085 6.513
145 HA SER 39 HA SER 39 14.301 6.288 7.722
146 1HB SER 39 1HB SER 39 15.746 8.312 8.646
147 2HB SER 39 2HB SER 39 14.177 9.113 8.653
148 HG SER 39 HG SER 39 14.532 6.556 9.794
149 H HIS 40 H HIS 40 13.185 9.626 7.157
150 HA HIS 40 HA HIS 40 10.485 9.066 7.449
151 1HB HIS 40 1HB HIS 40 11.611 11.319 7.485
152 2HB HIS 40 2HB HIS 40 11.577 11.281 5.730
153 HD2 HIS 40 HD2 HIS 40 9.855 13.574 6.068
154 HE1 HIS 40 HE1 HIS 40 6.502 11.193 7.099
155 HE2 HIS 40 HE2 HIS 40 7.281 13.451 6.297
156 H ALA 41 H ALA 41 12.463 8.378 4.709
157 HA ALA 41 HA ALA 41 10.424 8.491 2.715
158 1HB ALA 41 1HB ALA 41 13.024 8.377 2.497
159 2HB ALA 41 2HB ALA 41 11.989 7.674 1.254
160 3HB ALA 41 3HB ALA 41 12.742 6.641 2.472
161 H GLN 42 H GLN 42 11.530 6.030 4.930
162 HA GLN 42 HA GLN 42 10.153 3.860 3.711
163 1HB GLN 42 1HB GLN 42 11.016 4.156 6.596
164 2HB GLN 42 2HB GLN 42 10.725 2.657 5.734
165 1HG GLN 42 1HG GLN 42 12.760 2.638 4.837
166 2HG GLN 42 2HG GLN 42 12.663 4.345 4.396
167 1HE2 GLN 42 1HE2 GLN 42 15.020 3.962 5.059
168 2HE2 GLN 42 2HE2 GLN 42 15.408 4.320 6.704
169 H ASP 43 H ASP 43 9.369 6.182 6.254
170 HA ASP 43 HA ASP 43 6.882 5.041 7.011
171 1HB ASP 43 1HB ASP 43 8.190 6.855 8.256
172 2HB ASP 43 2HB ASP 43 7.581 7.992 7.058
173 H ILE 44 H ILE 44 7.935 7.353 4.615
174 HA ILE 44 HA ILE 44 5.427 8.093 3.540
175 HB ILE 44 HB ILE 44 8.200 7.972 2.325
176 1HG1 ILE 44 1HG1 ILE 44 6.465 10.236 3.326
177 2HG1 ILE 44 2HG1 ILE 44 7.914 9.616 4.097
178 1HG2 ILE 44 1HG2 ILE 44 7.304 8.231 0.296
179 2HG2 ILE 44 2HG2 ILE 44 6.604 9.757 0.833
180 3HG2 ILE 44 3HG2 ILE 44 5.676 8.265 0.969
181 1HD1 ILE 44 1HD1 ILE 44 7.631 11.360 1.728
182 2HD1 ILE 44 2HD1 ILE 44 8.999 10.255 1.789
183 3HD1 ILE 44 3HD1 ILE 44 8.771 11.447 3.069
184 H TYR 45 H TYR 45 7.841 5.740 2.538
185 HA TYR 45 HA TYR 45 6.549 4.556 0.413
186 1HB TYR 45 1HB TYR 45 8.906 4.166 1.147
187 2HB TYR 45 2HB TYR 45 8.275 3.134 2.416
188 HD1 TYR 45 HD1 TYR 45 6.549 1.273 1.468
189 HD2 TYR 45 HD2 TYR 45 9.684 3.123 -0.721
190 HE1 TYR 45 HE1 TYR 45 6.576 -0.632 -0.085
191 HE2 TYR 45 HE2 TYR 45 9.718 1.224 -2.284
192 HH TYR 45 HH TYR 45 8.087 -1.707 -1.657
193 H LYS 46 H LYS 46 6.742 3.087 3.654
194 HA LYS 46 HA LYS 46 4.856 1.132 3.307
195 1HB LYS 46 1HB LYS 46 6.213 1.072 5.245
196 2HB LYS 46 2HB LYS 46 5.684 2.667 5.760
197 1HG LYS 46 1HG LYS 46 3.439 1.762 6.166
198 2HG LYS 46 2HG LYS 46 4.021 0.159 5.721
199 1HD LYS 46 1HD LYS 46 5.278 -0.060 7.634
200 2HD LYS 46 2HD LYS 46 5.453 1.685 7.844
201 1HE LYS 46 1HE LYS 46 3.968 0.624 9.529
202 2HE LYS 46 2HE LYS 46 3.179 1.882 8.583
203 1HZ LYS 46 1HZ LYS 46 2.071 -0.458 8.992
204 2HZ LYS 46 2HZ LYS 46 2.964 -0.863 7.614
205 3HZ LYS 46 3HZ LYS 46 1.838 0.395 7.551
206 H GLU 47 H GLU 47 4.253 4.383 4.673
207 HA GLU 47 HA GLU 47 1.512 4.072 5.072
208 1HB GLU 47 1HB GLU 47 3.061 6.573 4.421
209 2HB GLU 47 2HB GLU 47 1.399 6.545 4.988
210 1HG GLU 47 1HG GLU 47 3.447 5.147 6.612
211 2HG GLU 47 2HG GLU 47 3.428 6.911 6.629
212 H ALA 48 H ALA 48 3.286 5.012 2.183
213 HA ALA 48 HA ALA 48 0.932 5.678 0.689
214 1HB ALA 48 1HB ALA 48 3.813 5.270 -0.027
215 2HB ALA 48 2HB ALA 48 2.854 6.750 -0.079
216 3HB ALA 48 3HB ALA 48 2.577 5.480 -1.270
217 H PHE 49 H PHE 49 3.012 2.877 1.062
218 HA PHE 49 HA PHE 49 1.863 1.262 -0.929
219 1HB PHE 49 1HB PHE 49 3.983 0.660 0.111
220 2HB PHE 49 2HB PHE 49 3.200 0.491 1.671
221 HD1 PHE 49 HD1 PHE 49 1.339 -1.316 1.829
222 HD2 PHE 49 HD2 PHE 49 4.240 -1.150 -1.282
223 HE1 PHE 49 HE1 PHE 49 0.911 -3.683 1.300
224 HE2 PHE 49 HE2 PHE 49 3.810 -3.512 -1.805
225 HZ PHE 49 HZ PHE 49 2.141 -4.778 -0.526
226 H ASN 50 H ASN 50 1.228 1.426 2.579
227 HA ASN 50 HA ASN 50 -0.787 -0.424 2.795
228 1HB ASN 50 1HB ASN 50 -0.575 2.237 4.223
229 2HB ASN 50 2HB ASN 50 -1.592 0.892 4.733
230 1HD2 ASN 50 1HD2 ASN 50 -0.105 -1.266 4.562
231 2HD2 ASN 50 2HD2 ASN 50 1.316 -1.150 5.536
232 H SER 51 H SER 51 -1.098 3.008 1.924
233 HA SER 51 HA SER 51 -3.875 3.119 1.729
234 1HB SER 51 1HB SER 51 -1.926 4.942 1.407
235 2HB SER 51 2HB SER 51 -2.304 4.637 -0.289
236 HG SER 51 HG SER 51 -3.576 6.250 1.243
237 H ALA 52 H ALA 52 -1.466 2.272 -0.727
238 HA ALA 52 HA ALA 52 -3.370 1.783 -2.787
239 1HB ALA 52 1HB ALA 52 -1.395 0.478 -3.797
240 2HB ALA 52 2HB ALA 52 -0.475 1.099 -2.427
241 3HB ALA 52 3HB ALA 52 -1.219 2.217 -3.568
242 H TRP 53 H TRP 53 -1.993 -0.095 -0.203
243 HA TRP 53 HA TRP 53 -2.735 -2.664 -1.134
244 1HB TRP 53 1HB TRP 53 -1.097 -2.646 0.546
245 2HB TRP 53 2HB TRP 53 -1.989 -1.508 1.541
246 HD1 TRP 53 HD1 TRP 53 -1.538 -5.201 0.898
247 HE1 TRP 53 HE1 TRP 53 -2.880 -6.548 2.622
248 HE3 TRP 53 HE3 TRP 53 -4.205 -1.384 3.002
249 HZ2 TRP 53 HZ2 TRP 53 -4.818 -6.062 4.614
250 HZ3 TRP 53 HZ3 TRP 53 -5.783 -1.910 4.814
251 HH2 TRP 53 HH2 TRP 53 -6.082 -4.202 5.604
252 H ASP 54 H ASP 54 -4.266 -0.447 1.220
253 HA ASP 54 HA ASP 54 -6.593 -2.036 1.557
254 1HB ASP 54 1HB ASP 54 -5.872 -0.401 3.241
255 2HB ASP 54 2HB ASP 54 -6.156 0.910 2.101
256 H GLN 55 H GLN 55 -5.672 0.459 -0.690
257 HA GLN 55 HA GLN 55 -8.267 1.051 -1.658
258 1HB GLN 55 1HB GLN 55 -5.490 1.495 -2.665
259 2HB GLN 55 2HB GLN 55 -6.840 1.742 -3.765
260 1HG GLN 55 1HG GLN 55 -7.737 3.165 -1.715
261 2HG GLN 55 2HG GLN 55 -6.015 3.299 -1.389
262 1HE2 GLN 55 1HE2 GLN 55 -4.800 4.646 -2.579
263 2HE2 GLN 55 2HE2 GLN 55 -5.390 5.594 -3.897
264 H TYR 56 H TYR 56 -6.066 -1.496 -2.171
265 HA TYR 56 HA TYR 56 -7.189 -2.433 -4.641
266 1HB TYR 56 1HB TYR 56 -4.846 -2.912 -3.178
267 2HB TYR 56 2HB TYR 56 -5.712 -4.445 -3.223
268 HD1 TYR 56 HD1 TYR 56 -3.712 -2.129 -5.101
269 HD2 TYR 56 HD2 TYR 56 -6.441 -5.358 -5.403
270 HE1 TYR 56 HE1 TYR 56 -2.966 -2.547 -7.397
271 HE2 TYR 56 HE2 TYR 56 -5.693 -5.784 -7.696
272 HH TYR 56 HH TYR 56 -3.923 -5.366 -9.175
273 H LYS 57 H LYS 57 -9.363 -2.170 -3.202
274 HA LYS 57 HA LYS 57 -9.986 -4.689 -1.866
275 1HB LYS 57 1HB LYS 57 -11.373 -2.041 -2.109
276 2HB LYS 57 2HB LYS 57 -12.264 -3.465 -1.588
277 1HG LYS 57 1HG LYS 57 -9.846 -3.307 -0.092
278 2HG LYS 57 2HG LYS 57 -10.647 -1.736 -0.046
279 1HD LYS 57 1HD LYS 57 -11.893 -2.594 1.600
280 2HD LYS 57 2HD LYS 57 -12.727 -3.498 0.335
281 1HE LYS 57 1HE LYS 57 -11.384 -5.419 0.701
282 2HE LYS 57 2HE LYS 57 -10.255 -4.518 1.716
283 1HZ LYS 57 1HZ LYS 57 -11.571 -5.707 3.204
284 2HZ LYS 57 2HZ LYS 57 -13.002 -5.396 2.358
285 3HZ LYS 57 3HZ LYS 57 -12.249 -4.158 3.230
286 H ASP 58 H ASP 58 -9.666 -4.018 -4.904
287 HA ASP 58 HA ASP 58 -12.220 -5.087 -5.856
288 1HB ASP 58 1HB ASP 58 -10.746 -3.027 -6.841
289 2HB ASP 58 2HB ASP 58 -10.127 -4.356 -7.816
290 H LYS 59 H LYS 59 -8.838 -5.790 -5.521
291 HA LYS 59 HA LYS 59 -9.051 -8.267 -7.053
292 1HB LYS 59 1HB LYS 59 -7.092 -6.679 -7.266
293 2HB LYS 59 2HB LYS 59 -6.633 -7.156 -5.641
294 1HG LYS 59 1HG LYS 59 -5.674 -9.018 -6.355
295 2HG LYS 59 2HG LYS 59 -7.060 -9.443 -7.344
296 1HD LYS 59 1HD LYS 59 -5.525 -7.217 -8.431
297 2HD LYS 59 2HD LYS 59 -4.581 -8.689 -8.276
298 1HE LYS 59 1HE LYS 59 -5.797 -9.798 -9.845
299 2HE LYS 59 2HE LYS 59 -7.275 -8.930 -9.467
300 1HZ LYS 59 1HZ LYS 59 -6.860 -7.839 -11.352
301 2HZ LYS 59 2HZ LYS 59 -5.236 -8.314 -11.399
302 3HZ LYS 59 3HZ LYS 59 -5.700 -6.984 -10.463
303 H GLU 60 H GLU 60 -10.532 -8.027 -4.646
304 HA GLU 60 HA GLU 60 -9.105 -9.624 -2.683
305 1HB GLU 60 1HB GLU 60 -11.318 -9.379 -1.414
306 2HB GLU 60 2HB GLU 60 -10.365 -7.921 -1.663
307 1HG GLU 60 1HG GLU 60 -11.896 -6.986 -3.014
308 2HG GLU 60 2HG GLU 60 -12.367 -8.520 -3.737
309 H ASP 61 H ASP 61 -11.662 -9.881 -5.041
310 HA ASP 61 HA ASP 61 -12.489 -12.515 -4.189
311 1HB ASP 61 1HB ASP 61 -13.254 -10.703 -6.467
312 2HB ASP 61 2HB ASP 61 -13.799 -12.378 -6.415
313 H ARG 62 H ARG 62 -10.138 -11.189 -6.299
314 HA ARG 62 HA ARG 62 -9.807 -13.732 -7.683
315 1HB ARG 62 1HB ARG 62 -7.979 -12.296 -8.920
316 2HB ARG 62 2HB ARG 62 -9.679 -12.126 -9.329
317 1HG ARG 62 1HG ARG 62 -9.027 -10.305 -7.226
318 2HG ARG 62 2HG ARG 62 -7.860 -10.156 -8.528
319 1HD ARG 62 1HD ARG 62 -10.071 -10.214 -10.000
320 2HD ARG 62 2HD ARG 62 -10.763 -9.567 -8.513
321 HE ARG 62 HE ARG 62 -8.782 -7.904 -8.749
322 1HH1 ARG 62 1HH1 ARG 62 -10.750 -9.153 -11.352
323 2HH1 ARG 62 2HH1 ARG 62 -10.457 -7.792 -12.380
324 1HH2 ARG 62 1HH2 ARG 62 -8.397 -6.133 -10.097
325 2HH2 ARG 62 2HH2 ARG 62 -9.122 -6.078 -11.670
326 H ARG 63 H ARG 63 -8.039 -14.952 -7.496
327 HA ARG 63 HA ARG 63 -6.597 -14.922 -5.070
328 1HB ARG 63 1HB ARG 63 -5.238 -16.743 -6.253
329 2HB ARG 63 2HB ARG 63 -6.959 -17.031 -6.031
330 1HG ARG 63 1HG ARG 63 -6.698 -15.714 -8.497
331 2HG ARG 63 2HG ARG 63 -5.433 -16.948 -8.452
332 1HD ARG 63 1HD ARG 63 -8.404 -17.307 -8.162
333 2HD ARG 63 2HD ARG 63 -7.335 -17.997 -9.382
334 HE ARG 63 HE ARG 63 -6.531 -18.873 -6.832
335 1HH1 ARG 63 1HH1 ARG 63 -9.123 -19.300 -9.128
336 2HH1 ARG 63 2HH1 ARG 63 -9.487 -20.909 -8.605
337 1HH2 ARG 63 1HH2 ARG 63 -7.009 -20.983 -6.140
338 2HH2 ARG 63 2HH2 ARG 63 -8.287 -21.866 -6.905
339 H ASP 64 H ASP 64 -6.123 -13.101 -7.814
340 HA ASP 64 HA ASP 64 -3.248 -13.070 -7.824
341 1HB ASP 64 1HB ASP 64 -4.390 -12.710 -9.896
342 2HB ASP 64 2HB ASP 64 -5.341 -11.402 -9.208
343 H ASP 65 H ASP 65 -4.115 -12.560 -5.251
344 HA ASP 65 HA ASP 65 -4.388 -9.843 -4.581
345 1HB ASP 65 1HB ASP 65 -3.953 -12.364 -3.179
346 2HB ASP 65 2HB ASP 65 -3.089 -11.031 -2.421
347 H ALA 66 H ALA 66 -1.606 -11.787 -5.383
348 HA ALA 66 HA ALA 66 0.445 -10.302 -4.229
349 1HB ALA 66 1HB ALA 66 1.918 -11.312 -5.729
350 2HB ALA 66 2HB ALA 66 0.697 -11.426 -6.998
351 3HB ALA 66 3HB ALA 66 0.600 -12.476 -5.583
352 H SER 67 H SER 67 -1.415 -9.744 -7.150
353 HA SER 67 HA SER 67 0.033 -7.652 -8.285
354 1HB SER 67 1HB SER 67 -1.979 -8.852 -9.238
355 2HB SER 67 2HB SER 67 -2.980 -7.836 -8.214
356 HG SER 67 HG SER 67 -1.667 -7.232 -10.546
357 H ARG 68 H ARG 68 -2.386 -7.714 -5.749
358 HA ARG 68 HA ARG 68 -2.718 -4.963 -5.333
359 1HB ARG 68 1HB ARG 68 -4.155 -6.578 -4.213
360 2HB ARG 68 2HB ARG 68 -2.777 -7.242 -3.338
361 1HG ARG 68 1HG ARG 68 -3.386 -4.357 -2.992
362 2HG ARG 68 2HG ARG 68 -4.441 -5.542 -2.219
363 1HD ARG 68 1HD ARG 68 -1.446 -5.523 -1.911
364 2HD ARG 68 2HD ARG 68 -2.548 -4.713 -0.804
365 HE ARG 68 HE ARG 68 -3.546 -7.169 -0.757
366 1HH1 ARG 68 1HH1 ARG 68 -0.224 -6.108 -0.564
367 2HH1 ARG 68 2HH1 ARG 68 0.280 -7.459 0.391
368 1HH2 ARG 68 1HH2 ARG 68 -2.881 -8.940 0.508
369 2HH2 ARG 68 2HH2 ARG 68 -1.227 -9.065 1.004
370 H GLU 69 H GLU 69 -0.641 -7.204 -3.502
371 HA GLU 69 HA GLU 69 0.849 -5.371 -2.097
372 1HB GLU 69 1HB GLU 69 0.975 -7.788 -1.723
373 2HB GLU 69 2HB GLU 69 1.770 -8.007 -3.279
374 1HG GLU 69 1HG GLU 69 3.719 -6.902 -2.524
375 2HG GLU 69 2HG GLU 69 2.901 -6.320 -1.080
376 H GLU 70 H GLU 70 1.600 -6.816 -5.260
377 HA GLU 70 HA GLU 70 3.918 -5.477 -5.877
378 1HB GLU 70 1HB GLU 70 2.621 -7.277 -7.201
379 2HB GLU 70 2HB GLU 70 1.761 -5.926 -7.925
380 1HG GLU 70 1HG GLU 70 3.403 -6.187 -9.461
381 2HG GLU 70 2HG GLU 70 4.211 -5.060 -8.372
382 H THR 71 H THR 71 0.656 -4.469 -6.940
383 HA THR 71 HA THR 71 1.331 -1.996 -7.955
384 HB THR 71 HB THR 71 -1.193 -2.792 -6.501
385 HG1 THR 71 HG1 THR 71 -1.752 -2.605 -8.961
386 1HG2 THR 71 1HG2 THR 71 -0.564 -0.323 -8.091
387 2HG2 THR 71 2HG2 THR 71 -1.278 -0.447 -6.483
388 3HG2 THR 71 3HG2 THR 71 -2.210 -0.928 -7.901
389 H ALA 72 H ALA 72 0.376 -2.752 -4.601
390 HA ALA 72 HA ALA 72 0.506 -0.209 -3.541
391 1HB ALA 72 1HB ALA 72 1.152 -1.344 -1.382
392 2HB ALA 72 2HB ALA 72 1.230 -2.853 -2.294
393 3HB ALA 72 3HB ALA 72 -0.293 -1.979 -2.165
394 H HIS 73 H HIS 73 3.101 -2.525 -4.124
395 HA HIS 73 HA HIS 73 5.255 -1.070 -3.069
396 1HB HIS 73 1HB HIS 73 5.040 -3.072 -5.306
397 2HB HIS 73 2HB HIS 73 6.560 -2.246 -5.012
398 HD2 HIS 73 HD2 HIS 73 4.368 -5.063 -3.477
399 HE1 HIS 73 HE1 HIS 73 7.972 -4.805 -1.254
400 HE2 HIS 73 HE2 HIS 73 5.843 -6.100 -1.625
401 H LYS 74 H LYS 74 3.851 -1.107 -6.328
402 HA LYS 74 HA LYS 74 5.469 0.828 -7.507
403 1HB LYS 74 1HB LYS 74 2.670 -0.114 -8.064
404 2HB LYS 74 2HB LYS 74 3.423 1.145 -9.033
405 1HG LYS 74 1HG LYS 74 4.257 -0.472 -10.293
406 2HG LYS 74 2HG LYS 74 5.323 -0.871 -8.949
407 1HD LYS 74 1HD LYS 74 4.351 -2.909 -9.252
408 2HD LYS 74 2HD LYS 74 3.174 -2.202 -8.146
409 1HE LYS 74 1HE LYS 74 1.686 -2.825 -9.714
410 2HE LYS 74 2HE LYS 74 2.205 -1.347 -10.522
411 1HZ LYS 74 1HZ LYS 74 2.454 -2.873 -12.183
412 2HZ LYS 74 2HZ LYS 74 2.874 -4.135 -11.139
413 3HZ LYS 74 3HZ LYS 74 4.005 -2.932 -11.508
414 H VAL 75 H VAL 75 2.465 1.157 -5.686
415 HA VAL 75 HA VAL 75 2.168 3.944 -6.130
416 HB VAL 75 HB VAL 75 1.086 2.282 -3.854
417 1HG1 VAL 75 1HG1 VAL 75 -0.733 4.130 -4.040
418 2HG1 VAL 75 2HG1 VAL 75 0.542 5.062 -4.828
419 3HG1 VAL 75 3HG1 VAL 75 0.766 4.481 -3.175
420 1HG2 VAL 75 1HG2 VAL 75 -0.982 2.621 -5.532
421 2HG2 VAL 75 2HG2 VAL 75 0.106 1.232 -5.599
422 3HG2 VAL 75 3HG2 VAL 75 0.350 2.597 -6.690
423 H ALA 76 H ALA 76 3.206 2.141 -3.231
424 HA ALA 76 HA ALA 76 3.932 4.218 -1.619
425 1HB ALA 76 1HB ALA 76 4.781 1.419 -1.862
426 2HB ALA 76 2HB ALA 76 4.209 2.319 -0.459
427 3HB ALA 76 3HB ALA 76 5.882 2.480 -0.986
428 H TRP 77 H TRP 77 5.905 2.697 -4.111
429 HA TRP 77 HA TRP 77 8.225 4.226 -3.702
430 1HB TRP 77 1HB TRP 77 7.146 2.586 -5.924
431 2HB TRP 77 2HB TRP 77 8.375 3.769 -6.353
432 HD1 TRP 77 HD1 TRP 77 8.037 0.344 -5.205
433 HE1 TRP 77 HE1 TRP 77 10.271 -0.592 -4.332
434 HE3 TRP 77 HE3 TRP 77 10.606 4.723 -4.776
435 HZ2 TRP 77 HZ2 TRP 77 12.792 0.410 -3.553
436 HZ3 TRP 77 HZ3 TRP 77 12.921 4.655 -3.946
437 HH2 TRP 77 HH2 TRP 77 13.991 2.544 -3.352
438 H ALA 78 H ALA 78 5.380 4.763 -5.753
439 HA ALA 78 HA ALA 78 6.119 7.062 -7.080
440 1HB ALA 78 1HB ALA 78 3.643 5.742 -6.430
441 2HB ALA 78 2HB ALA 78 4.041 6.750 -7.820
442 3HB ALA 78 3HB ALA 78 3.450 7.493 -6.334
443 H ALA 79 H ALA 79 4.786 6.750 -3.812
444 HA ALA 79 HA ALA 79 4.743 9.502 -3.180
445 1HB ALA 79 1HB ALA 79 5.033 8.323 -0.775
446 2HB ALA 79 2HB ALA 79 4.476 6.950 -1.727
447 3HB ALA 79 3HB ALA 79 3.497 8.415 -1.634
448 H VAL 80 H VAL 80 7.071 6.908 -2.684
449 HA VAL 80 HA VAL 80 8.996 8.372 -1.301
450 HB VAL 80 HB VAL 80 9.296 5.943 -3.087
451 1HG1 VAL 80 1HG1 VAL 80 11.501 6.178 -2.913
452 2HG1 VAL 80 2HG1 VAL 80 11.356 6.125 -1.156
453 3HG1 VAL 80 3HG1 VAL 80 11.295 7.667 -1.995
454 1HG2 VAL 80 1HG2 VAL 80 9.579 5.896 -0.128
455 2HG2 VAL 80 2HG2 VAL 80 8.923 4.683 -1.230
456 3HG2 VAL 80 3HG2 VAL 80 7.953 6.085 -0.788
457 H LYS 81 H LYS 81 8.729 7.685 -4.816
458 HA LYS 81 HA LYS 81 10.983 9.201 -5.546
459 1HB LYS 81 1HB LYS 81 8.529 8.412 -7.122
460 2HB LYS 81 2HB LYS 81 9.952 9.164 -7.829
461 1HG LYS 81 1HG LYS 81 11.313 7.277 -7.196
462 2HG LYS 81 2HG LYS 81 9.949 6.537 -6.359
463 1HD LYS 81 1HD LYS 81 8.750 6.600 -8.609
464 2HD LYS 81 2HD LYS 81 10.328 6.958 -9.314
465 1HE LYS 81 1HE LYS 81 11.182 4.883 -8.167
466 2HE LYS 81 2HE LYS 81 9.505 4.503 -7.776
467 1HZ LYS 81 1HZ LYS 81 8.973 4.298 -10.050
468 2HZ LYS 81 2HZ LYS 81 10.410 3.434 -9.836
469 3HZ LYS 81 3HZ LYS 81 10.445 4.968 -10.547
470 H HIS 82 H HIS 82 7.925 10.175 -4.463
471 HA HIS 82 HA HIS 82 7.897 12.717 -5.859
472 1HB HIS 82 1HB HIS 82 5.800 11.460 -5.272
473 2HB HIS 82 2HB HIS 82 6.134 11.800 -3.578
474 HD2 HIS 82 HD2 HIS 82 6.769 14.979 -3.740
475 HE1 HIS 82 HE1 HIS 82 3.012 15.251 -5.697
476 HE2 HIS 82 HE2 HIS 82 4.775 16.492 -4.392
477 H GLU 83 H GLU 83 8.307 11.539 -2.552
478 HA GLU 83 HA GLU 83 9.216 14.176 -1.671
479 1HB GLU 83 1HB GLU 83 9.028 11.814 0.147
480 2HB GLU 83 2HB GLU 83 8.722 13.511 0.485
481 1HG GLU 83 1HG GLU 83 6.771 13.006 -1.305
482 2HG GLU 83 2HG GLU 83 6.919 11.427 -0.532
483 H TYR 84 H TYR 84 10.503 11.266 -2.769
484 HA TYR 84 HA TYR 84 13.149 12.023 -1.750
485 1HB TYR 84 1HB TYR 84 11.823 9.338 -1.609
486 2HB TYR 84 2HB TYR 84 13.575 9.459 -1.664
487 HD1 TYR 84 HD1 TYR 84 14.814 10.216 0.232
488 HD2 TYR 84 HD2 TYR 84 10.565 10.281 0.292
489 HE1 TYR 84 HE1 TYR 84 14.863 10.667 2.646
490 HE2 TYR 84 HE2 TYR 84 10.606 10.726 2.714
491 HH TYR 84 HH TYR 84 13.642 10.788 4.523
492 H ALA 85 H ALA 85 14.906 11.511 -3.027
493 HA ALA 85 HA ALA 85 14.293 10.722 -5.806
494 1HB ALA 85 1HB ALA 85 14.810 12.900 -6.198
495 2HB ALA 85 2HB ALA 85 16.450 12.247 -6.187
496 3HB ALA 85 3HB ALA 85 15.805 13.041 -4.749
497 H LYS 86 H LYS 86 15.794 9.409 -6.867
498 HA LYS 86 HA LYS 86 17.680 8.046 -5.104
499 1HB LYS 86 1HB LYS 86 16.122 6.739 -6.576
500 2HB LYS 86 2HB LYS 86 17.010 7.350 -7.957
501 1HG LYS 86 1HG LYS 86 19.031 6.278 -7.150
502 2HG LYS 86 2HG LYS 86 18.170 5.705 -5.721
503 1HD LYS 86 1HD LYS 86 17.946 3.840 -6.986
504 2HD LYS 86 2HD LYS 86 16.554 4.727 -7.613
505 1HE LYS 86 1HE LYS 86 17.565 5.177 -9.608
506 2HE LYS 86 2HE LYS 86 19.183 5.189 -8.909
507 1HZ LYS 86 1HZ LYS 86 19.260 3.239 -10.043
508 2HZ LYS 86 2HZ LYS 86 17.601 2.937 -9.899
509 3HZ LYS 86 3HZ LYS 86 18.630 2.652 -8.585
510 H GLY 87 H GLY 87 19.759 8.688 -5.056
511 1HA GLY 87 1HA GLY 87 20.766 10.621 -6.824
512 2HA GLY 87 2HA GLY 87 21.728 9.647 -5.724
513 H ASP 88 H ASP 88 23.255 9.832 -7.650
514 HA ASP 88 HA ASP 88 22.545 8.221 -9.934
515 1HB ASP 88 1HB ASP 88 24.884 8.771 -10.674
516 2HB ASP 88 2HB ASP 88 23.851 10.167 -10.383
517 H ASP 89 H ASP 89 22.685 6.800 -7.330
518 HA ASP 89 HA ASP 89 24.730 4.862 -8.120
519 1HB ASP 89 1HB ASP 89 24.048 5.559 -5.269
520 2HB ASP 89 2HB ASP 89 25.249 4.387 -5.802
521 H ASP 90 H ASP 90 22.485 4.767 -5.494
522 HA ASP 90 HA ASP 90 20.407 3.344 -6.684
523 1HB ASP 90 1HB ASP 90 22.701 1.739 -6.228
524 2HB ASP 90 2HB ASP 90 21.517 1.303 -5.004
525 H LYS 91 H LYS 91 21.133 5.401 -4.780
526 HA LYS 91 HA LYS 91 19.607 4.427 -2.455
527 1HB LYS 91 1HB LYS 91 22.158 5.866 -2.618
528 2HB LYS 91 2HB LYS 91 21.041 6.478 -1.427
529 1HG LYS 91 1HG LYS 91 20.952 4.344 -0.338
530 2HG LYS 91 2HG LYS 91 21.889 3.610 -1.645
531 1HD LYS 91 1HD LYS 91 23.142 5.933 -0.321
532 2HD LYS 91 2HD LYS 91 22.964 4.470 0.684
533 1HE LYS 91 1HE LYS 91 24.008 4.116 -2.071
534 2HE LYS 91 2HE LYS 91 25.074 4.903 -0.908
535 1HZ LYS 91 1HZ LYS 91 24.393 2.904 0.577
536 2HZ LYS 91 2HZ LYS 91 25.588 2.705 -0.603
537 3HZ LYS 91 3HZ LYS 91 24.013 2.163 -0.896
538 H TRP 92 H TRP 92 18.389 6.106 -1.338
539 HA TRP 92 HA TRP 92 17.586 8.237 -3.186
540 1HB TRP 92 1HB TRP 92 15.887 6.741 -1.198
541 2HB TRP 92 2HB TRP 92 15.327 8.076 -2.201
542 HD1 TRP 92 HD1 TRP 92 16.648 4.468 -2.565
543 HE1 TRP 92 HE1 TRP 92 15.687 3.471 -4.733
544 HE3 TRP 92 HE3 TRP 92 14.264 8.612 -4.369
545 HZ2 TRP 92 HZ2 TRP 92 14.125 4.329 -6.920
546 HZ3 TRP 92 HZ3 TRP 92 13.059 8.439 -6.506
547 HH2 TRP 92 HH2 TRP 92 12.991 6.343 -7.754
548 H HIS 93 H HIS 93 16.820 10.214 -2.323
549 HA HIS 93 HA HIS 93 17.347 10.793 0.489
550 1HB HIS 93 1HB HIS 93 18.581 12.875 -0.107
551 2HB HIS 93 2HB HIS 93 19.449 11.412 -0.554
552 HD2 HIS 93 HD2 HIS 93 18.831 10.792 -3.477
553 HE1 HIS 93 HE1 HIS 93 18.933 14.950 -4.320
554 HE2 HIS 93 HE2 HIS 93 18.915 12.628 -5.298
555 H LYS 94 H LYS 94 15.889 12.270 1.318
556 HA LYS 94 HA LYS 94 13.506 12.649 -0.018
557 1HB LYS 94 1HB LYS 94 14.035 12.946 2.502
558 2HB LYS 94 2HB LYS 94 14.308 14.629 2.066
559 1HG LYS 94 1HG LYS 94 12.042 14.674 1.036
560 2HG LYS 94 2HG LYS 94 11.777 13.048 1.656
561 1HD LYS 94 1HD LYS 94 12.407 14.082 3.951
562 2HD LYS 94 2HD LYS 94 12.055 15.622 3.163
563 1HE LYS 94 1HE LYS 94 9.878 14.222 2.433
564 2HE LYS 94 2HE LYS 94 10.237 13.435 3.968
565 1HZ LYS 94 1HZ LYS 94 10.473 16.101 4.507
566 2HZ LYS 94 2HZ LYS 94 9.155 15.120 4.902
567 3HZ LYS 94 3HZ LYS 94 9.136 16.024 3.474
568 H LYS 95 H LYS 95 12.850 13.807 -1.562
569 HA LYS 95 HA LYS 95 14.386 15.981 -2.616
570 1HB LYS 95 1HB LYS 95 12.011 14.410 -3.464
571 2HB LYS 95 2HB LYS 95 12.260 15.998 -4.161
572 1HG LYS 95 1HG LYS 95 14.548 14.131 -4.134
573 2HG LYS 95 2HG LYS 95 13.239 13.819 -5.274
574 1HD LYS 95 1HD LYS 95 14.229 16.600 -5.128
575 2HD LYS 95 2HD LYS 95 15.333 15.410 -5.822
576 1HE LYS 95 1HE LYS 95 13.291 14.683 -7.229
577 2HE LYS 95 2HE LYS 95 12.615 16.245 -6.770
578 1HZ LYS 95 1HZ LYS 95 13.681 16.687 -8.756
579 2HZ LYS 95 2HZ LYS 95 14.991 15.673 -8.418
580 3HZ LYS 95 3HZ LYS 95 14.845 17.158 -7.621
581 H SER 96 H SER 96 10.891 15.857 -2.324
582 HA SER 96 HA SER 96 10.728 18.625 -1.604
583 1HB SER 96 1HB SER 96 9.007 17.567 -3.005
584 2HB SER 96 2HB SER 96 8.564 16.508 -1.667
585 HG SER 96 HG SER 96 7.665 18.169 -0.622
Start of MODEL 5
1 HA PRO 22 HA PRO 22 2.766 -7.488 4.822
2 1HB PRO 22 1HB PRO 22 4.063 -5.648 2.948
3 2HB PRO 22 2HB PRO 22 3.742 -7.372 2.778
4 1HG PRO 22 1HG PRO 22 2.414 -5.536 1.345
5 2HG PRO 22 2HG PRO 22 1.650 -7.037 1.891
6 1HD PRO 22 1HD PRO 22 1.442 -4.287 3.053
7 2HD PRO 22 2HD PRO 22 0.171 -5.491 2.777
8 H TYR 23 H TYR 23 2.457 -4.111 5.332
9 HA TYR 23 HA TYR 23 4.991 -4.074 6.832
10 1HB TYR 23 1HB TYR 23 3.578 -1.697 5.609
11 2HB TYR 23 2HB TYR 23 5.156 -1.701 6.397
12 HD1 TYR 23 HD1 TYR 23 4.099 -1.038 3.410
13 HD2 TYR 23 HD2 TYR 23 6.307 -4.183 5.245
14 HE1 TYR 23 HE1 TYR 23 5.164 -1.550 1.253
15 HE2 TYR 23 HE2 TYR 23 7.363 -4.700 3.099
16 HH TYR 23 HH TYR 23 6.292 -3.311 0.124
17 H LYS 24 H LYS 24 4.963 -3.222 8.931
18 HA LYS 24 HA LYS 24 2.276 -2.650 9.976
19 1HB LYS 24 1HB LYS 24 4.507 -4.179 11.302
20 2HB LYS 24 2HB LYS 24 3.042 -3.660 12.127
21 1HG LYS 24 1HG LYS 24 3.127 -5.471 9.727
22 2HG LYS 24 2HG LYS 24 2.943 -6.005 11.399
23 1HD LYS 24 1HD LYS 24 1.050 -3.981 10.281
24 2HD LYS 24 2HD LYS 24 0.845 -5.680 9.857
25 1HE LYS 24 1HE LYS 24 1.248 -5.041 12.723
26 2HE LYS 24 2HE LYS 24 -0.293 -4.568 12.006
27 1HZ LYS 24 1HZ LYS 24 0.615 -7.267 11.423
28 2HZ LYS 24 2HZ LYS 24 -0.939 -6.698 11.772
29 3HZ LYS 24 3HZ LYS 24 0.163 -6.971 13.026
30 H THR 25 H THR 25 5.739 -1.878 10.293
31 HA THR 25 HA THR 25 4.911 0.573 11.686
32 HB THR 25 HB THR 25 6.868 0.494 13.064
33 HG1 THR 25 HG1 THR 25 8.385 -1.174 12.853
34 1HG2 THR 25 1HG2 THR 25 5.571 -2.216 12.980
35 2HG2 THR 25 2HG2 THR 25 5.109 -0.838 13.979
36 3HG2 THR 25 3HG2 THR 25 6.646 -1.654 14.261
37 H LYS 26 H LYS 26 7.816 -0.779 10.137
38 HA LYS 26 HA LYS 26 7.881 0.954 7.943
39 1HB LYS 26 1HB LYS 26 8.257 2.623 9.829
40 2HB LYS 26 2HB LYS 26 9.797 1.827 10.109
41 1HG LYS 26 1HG LYS 26 10.741 2.716 8.252
42 2HG LYS 26 2HG LYS 26 9.221 2.727 7.352
43 1HD LYS 26 1HD LYS 26 9.299 4.944 7.723
44 2HD LYS 26 2HD LYS 26 8.668 4.518 9.309
45 1HE LYS 26 1HE LYS 26 11.007 4.406 10.138
46 2HE LYS 26 2HE LYS 26 11.549 4.983 8.563
47 1HZ LYS 26 1HZ LYS 26 9.551 6.516 10.090
48 2HZ LYS 26 2HZ LYS 26 10.635 7.057 8.910
49 3HZ LYS 26 3HZ LYS 26 11.197 6.667 10.457
50 H SER 27 H SER 27 10.002 -0.541 10.376
51 HA SER 27 HA SER 27 12.090 -1.202 8.618
52 1HB SER 27 1HB SER 27 11.693 -3.119 10.801
53 2HB SER 27 2HB SER 27 13.064 -2.060 10.465
54 HG SER 27 HG SER 27 11.979 -1.537 12.430
55 H ASP 28 H ASP 28 8.956 -2.519 8.985
56 HA ASP 28 HA ASP 28 9.436 -5.171 8.130
57 1HB ASP 28 1HB ASP 28 7.017 -3.405 8.254
58 2HB ASP 28 2HB ASP 28 6.931 -4.962 7.439
59 H LEU 29 H LEU 29 9.490 -2.187 6.473
60 HA LEU 29 HA LEU 29 8.579 -2.851 3.944
61 1HB LEU 29 1HB LEU 29 10.811 -1.013 4.778
62 2HB LEU 29 2HB LEU 29 10.199 -1.111 3.138
63 HG LEU 29 HG LEU 29 8.501 -0.384 5.520
64 1HD1 LEU 29 1HD1 LEU 29 9.006 1.781 5.288
65 2HD1 LEU 29 2HD1 LEU 29 9.148 1.671 3.532
66 3HD1 LEU 29 3HD1 LEU 29 10.495 1.168 4.560
67 1HD2 LEU 29 1HD2 LEU 29 7.950 -0.960 2.733
68 2HD2 LEU 29 2HD2 LEU 29 7.386 0.639 3.213
69 3HD2 LEU 29 3HD2 LEU 29 6.845 -0.785 4.095
70 HA PRO 30 HA PRO 30 11.426 -5.606 2.077
71 1HB PRO 30 1HB PRO 30 11.753 -3.841 -0.248
72 2HB PRO 30 2HB PRO 30 11.046 -5.445 -0.163
73 1HG PRO 30 1HG PRO 30 9.535 -3.289 -0.562
74 2HG PRO 30 2HG PRO 30 8.981 -4.633 0.437
75 1HD PRO 30 1HD PRO 30 10.128 -2.007 1.298
76 2HD PRO 30 2HD PRO 30 8.727 -2.885 1.936
77 H GLU 31 H GLU 31 13.544 -6.038 2.110
78 HA GLU 31 HA GLU 31 15.406 -4.315 3.180
79 1HB GLU 31 1HB GLU 31 17.133 -5.870 2.305
80 2HB GLU 31 2HB GLU 31 15.797 -6.697 3.097
81 1HG GLU 31 1HG GLU 31 14.913 -6.725 0.563
82 2HG GLU 31 2HG GLU 31 16.654 -6.745 0.283
83 H SER 32 H SER 32 14.919 -5.056 -0.277
84 HA SER 32 HA SER 32 16.896 -3.344 -1.285
85 1HB SER 32 1HB SER 32 15.482 -5.145 -2.482
86 2HB SER 32 2HB SER 32 14.321 -3.848 -2.744
87 HG SER 32 HG SER 32 15.544 -3.175 -4.300
88 H VAL 33 H VAL 33 14.007 -2.620 0.284
89 HA VAL 33 HA VAL 33 13.727 0.012 -0.952
90 HB VAL 33 HB VAL 33 12.001 -1.409 1.090
91 1HG1 VAL 33 1HG1 VAL 33 10.371 0.376 0.681
92 2HG1 VAL 33 2HG1 VAL 33 11.533 1.195 -0.359
93 3HG1 VAL 33 3HG1 VAL 33 11.866 1.014 1.364
94 1HG2 VAL 33 1HG2 VAL 33 10.487 -1.849 -0.670
95 2HG2 VAL 33 2HG2 VAL 33 12.081 -2.326 -1.261
96 3HG2 VAL 33 3HG2 VAL 33 11.364 -0.802 -1.786
97 H LYS 34 H LYS 34 14.021 -1.458 2.272
98 HA LYS 34 HA LYS 34 14.522 0.965 3.646
99 1HB LYS 34 1HB LYS 34 15.294 -1.864 4.413
100 2HB LYS 34 2HB LYS 34 15.221 -0.479 5.500
101 1HG LYS 34 1HG LYS 34 12.837 -0.327 5.228
102 2HG LYS 34 2HG LYS 34 12.862 -1.593 4.000
103 1HD LYS 34 1HD LYS 34 13.551 -1.887 6.922
104 2HD LYS 34 2HD LYS 34 12.131 -2.532 6.095
105 1HE LYS 34 1HE LYS 34 13.940 -3.692 4.583
106 2HE LYS 34 2HE LYS 34 14.971 -3.434 5.989
107 1HZ LYS 34 1HZ LYS 34 14.067 -5.523 6.339
108 2HZ LYS 34 2HZ LYS 34 12.537 -5.085 5.766
109 3HZ LYS 34 3HZ LYS 34 13.064 -4.528 7.274
110 H HIS 35 H HIS 35 16.545 -1.244 1.861
111 HA HIS 35 HA HIS 35 19.038 -0.237 2.926
112 1HB HIS 35 1HB HIS 35 18.203 -2.469 1.303
113 2HB HIS 35 2HB HIS 35 19.559 -1.652 0.551
114 HD2 HIS 35 HD2 HIS 35 19.523 -1.791 4.429
115 HE1 HIS 35 HE1 HIS 35 22.371 -4.610 3.036
116 HE2 HIS 35 HE2 HIS 35 21.433 -3.421 5.050
117 H VAL 36 H VAL 36 16.969 1.375 1.258
118 HA VAL 36 HA VAL 36 18.977 2.831 -0.291
119 HB VAL 36 HB VAL 36 17.303 3.029 -2.176
120 1HG1 VAL 36 1HG1 VAL 36 18.023 1.027 -3.247
121 2HG1 VAL 36 2HG1 VAL 36 18.261 0.215 -1.700
122 3HG1 VAL 36 3HG1 VAL 36 19.324 1.538 -2.172
123 1HG2 VAL 36 1HG2 VAL 36 15.641 1.189 -2.349
124 2HG2 VAL 36 2HG2 VAL 36 15.304 2.314 -1.034
125 3HG2 VAL 36 3HG2 VAL 36 16.023 0.737 -0.685
126 H LEU 37 H LEU 37 15.898 2.664 1.359
127 HA LEU 37 HA LEU 37 15.358 5.470 0.949
128 1HB LEU 37 1HB LEU 37 13.877 3.145 1.897
129 2HB LEU 37 2HB LEU 37 13.585 4.578 2.859
130 HG LEU 37 HG LEU 37 12.397 5.590 1.232
131 1HD1 LEU 37 1HD1 LEU 37 13.898 6.164 -0.381
132 2HD1 LEU 37 2HD1 LEU 37 12.907 5.007 -1.277
133 3HD1 LEU 37 3HD1 LEU 37 14.454 4.504 -0.603
134 1HD2 LEU 37 1HD2 LEU 37 11.516 3.246 1.525
135 2HD2 LEU 37 2HD2 LEU 37 12.246 2.899 -0.042
136 3HD2 LEU 37 3HD2 LEU 37 10.992 4.128 0.092
137 HA PRO 38 HA PRO 38 17.754 6.970 4.261
138 1HB PRO 38 1HB PRO 38 15.663 9.103 4.150
139 2HB PRO 38 2HB PRO 38 17.424 9.250 4.106
140 1HG PRO 38 1HG PRO 38 16.078 9.514 1.859
141 2HG PRO 38 2HG PRO 38 17.535 8.514 1.873
142 1HD PRO 38 1HD PRO 38 14.664 7.658 1.988
143 2HD PRO 38 2HD PRO 38 15.991 7.036 0.984
144 H SER 39 H SER 39 14.593 8.304 5.153
145 HA SER 39 HA SER 39 14.337 6.411 7.347
146 1HB SER 39 1HB SER 39 15.502 9.008 7.701
147 2HB SER 39 2HB SER 39 13.950 8.963 8.537
148 HG SER 39 HG SER 39 16.285 7.536 9.029
149 H HIS 40 H HIS 40 13.015 9.665 6.772
150 HA HIS 40 HA HIS 40 10.365 8.927 7.355
151 1HB HIS 40 1HB HIS 40 11.324 11.266 7.373
152 2HB HIS 40 2HB HIS 40 11.183 11.251 5.618
153 HD2 HIS 40 HD2 HIS 40 9.296 13.388 6.083
154 HE1 HIS 40 HE1 HIS 40 6.229 10.714 7.283
155 HE2 HIS 40 HE2 HIS 40 6.777 13.077 6.595
156 H ALA 41 H ALA 41 12.245 8.318 4.597
157 HA ALA 41 HA ALA 41 10.210 8.379 2.614
158 1HB ALA 41 1HB ALA 41 12.711 6.698 2.560
159 2HB ALA 41 2HB ALA 41 12.697 8.419 2.198
160 3HB ALA 41 3HB ALA 41 11.782 7.306 1.187
161 H GLN 42 H GLN 42 11.322 6.009 4.919
162 HA GLN 42 HA GLN 42 9.979 3.775 3.754
163 1HB GLN 42 1HB GLN 42 10.924 4.190 6.601
164 2HB GLN 42 2HB GLN 42 10.522 2.651 5.863
165 1HG GLN 42 1HG GLN 42 12.504 2.465 4.878
166 2HG GLN 42 2HG GLN 42 12.474 4.145 4.332
167 1HE2 GLN 42 1HE2 GLN 42 14.778 4.022 4.843
168 2HE2 GLN 42 2HE2 GLN 42 15.292 4.320 6.465
169 H ASP 43 H ASP 43 9.185 6.194 6.187
170 HA ASP 43 HA ASP 43 6.718 5.021 6.992
171 1HB ASP 43 1HB ASP 43 7.949 6.783 8.301
172 2HB ASP 43 2HB ASP 43 7.512 7.950 7.058
173 H ILE 44 H ILE 44 7.773 7.341 4.619
174 HA ILE 44 HA ILE 44 5.284 8.090 3.522
175 HB ILE 44 HB ILE 44 8.104 7.990 2.434
176 1HG1 ILE 44 1HG1 ILE 44 6.278 10.311 3.053
177 2HG1 ILE 44 2HG1 ILE 44 7.456 9.659 4.181
178 1HG2 ILE 44 1HG2 ILE 44 6.621 7.657 0.524
179 2HG2 ILE 44 2HG2 ILE 44 7.308 9.279 0.479
180 3HG2 ILE 44 3HG2 ILE 44 5.643 9.040 1.009
181 1HD1 ILE 44 1HD1 ILE 44 8.993 10.103 1.995
182 2HD1 ILE 44 2HD1 ILE 44 8.795 11.228 3.341
183 3HD1 ILE 44 3HD1 ILE 44 7.825 11.417 1.884
184 H TYR 45 H TYR 45 7.722 5.777 2.506
185 HA TYR 45 HA TYR 45 6.440 4.553 0.396
186 1HB TYR 45 1HB TYR 45 8.807 4.211 1.096
187 2HB TYR 45 2HB TYR 45 8.219 3.198 2.400
188 HD1 TYR 45 HD1 TYR 45 6.599 1.242 1.599
189 HD2 TYR 45 HD2 TYR 45 9.485 3.181 -0.837
190 HE1 TYR 45 HE1 TYR 45 6.625 -0.707 0.096
191 HE2 TYR 45 HE2 TYR 45 9.517 1.253 -2.351
192 HH TYR 45 HH TYR 45 8.442 -0.677 -2.920
193 H LYS 46 H LYS 46 6.617 3.266 3.717
194 HA LYS 46 HA LYS 46 4.811 1.202 3.438
195 1HB LYS 46 1HB LYS 46 6.235 1.410 5.378
196 2HB LYS 46 2HB LYS 46 5.435 2.899 5.856
197 1HG LYS 46 1HG LYS 46 3.365 1.661 6.242
198 2HG LYS 46 2HG LYS 46 4.175 0.167 5.774
199 1HD LYS 46 1HD LYS 46 5.133 -0.056 7.784
200 2HD LYS 46 2HD LYS 46 5.630 1.637 7.821
201 1HE LYS 46 1HE LYS 46 2.942 0.503 8.572
202 2HE LYS 46 2HE LYS 46 4.130 1.230 9.650
203 1HZ LYS 46 1HZ LYS 46 3.580 3.098 7.668
204 2HZ LYS 46 2HZ LYS 46 3.150 3.169 9.303
205 3HZ LYS 46 3HZ LYS 46 2.086 2.491 8.178
206 H GLU 47 H GLU 47 4.124 4.498 4.629
207 HA GLU 47 HA GLU 47 1.378 4.123 5.020
208 1HB GLU 47 1HB GLU 47 2.906 6.642 4.381
209 2HB GLU 47 2HB GLU 47 1.228 6.598 4.901
210 1HG GLU 47 1HG GLU 47 3.021 5.133 6.667
211 2HG GLU 47 2HG GLU 47 3.405 6.848 6.536
212 H ALA 48 H ALA 48 3.180 5.094 2.154
213 HA ALA 48 HA ALA 48 0.847 5.691 0.607
214 1HB ALA 48 1HB ALA 48 3.744 5.307 -0.061
215 2HB ALA 48 2HB ALA 48 2.781 6.784 -0.118
216 3HB ALA 48 3HB ALA 48 2.523 5.518 -1.316
217 H PHE 49 H PHE 49 2.994 2.934 0.984
218 HA PHE 49 HA PHE 49 1.903 1.276 -0.994
219 1HB PHE 49 1HB PHE 49 4.012 0.737 0.095
220 2HB PHE 49 2HB PHE 49 3.206 0.578 1.643
221 HD1 PHE 49 HD1 PHE 49 1.296 -1.253 1.703
222 HD2 PHE 49 HD2 PHE 49 4.463 -1.133 -1.140
223 HE1 PHE 49 HE1 PHE 49 0.976 -3.651 1.248
224 HE2 PHE 49 HE2 PHE 49 4.141 -3.528 -1.593
225 HZ PHE 49 HZ PHE 49 2.393 -4.786 -0.410
226 H ASN 50 H ASN 50 1.184 1.515 2.485
227 HA ASN 50 HA ASN 50 -0.803 -0.393 2.669
228 1HB ASN 50 1HB ASN 50 -0.075 2.050 4.182
229 2HB ASN 50 2HB ASN 50 -1.705 1.433 4.441
230 1HD2 ASN 50 1HD2 ASN 50 1.345 -0.250 3.821
231 2HD2 ASN 50 2HD2 ASN 50 1.327 -1.183 5.276
232 H SER 51 H SER 51 -1.084 3.016 1.742
233 HA SER 51 HA SER 51 -3.855 3.191 1.572
234 1HB SER 51 1HB SER 51 -2.003 5.014 1.267
235 2HB SER 51 2HB SER 51 -2.103 4.575 -0.438
236 HG SER 51 HG SER 51 -4.456 4.930 -0.135
237 H ALA 52 H ALA 52 -1.510 2.221 -0.911
238 HA ALA 52 HA ALA 52 -3.474 1.714 -2.909
239 1HB ALA 52 1HB ALA 52 -1.176 0.122 -3.380
240 2HB ALA 52 2HB ALA 52 -0.645 1.681 -2.745
241 3HB ALA 52 3HB ALA 52 -1.669 1.612 -4.181
242 H TRP 53 H TRP 53 -2.087 -0.142 -0.304
243 HA TRP 53 HA TRP 53 -2.923 -2.705 -1.183
244 1HB TRP 53 1HB TRP 53 -1.232 -2.676 0.468
245 2HB TRP 53 2HB TRP 53 -2.111 -1.546 1.482
246 HD1 TRP 53 HD1 TRP 53 -1.670 -5.238 0.802
247 HE1 TRP 53 HE1 TRP 53 -3.004 -6.591 2.524
248 HE3 TRP 53 HE3 TRP 53 -4.319 -1.433 2.960
249 HZ2 TRP 53 HZ2 TRP 53 -4.924 -6.121 4.533
250 HZ3 TRP 53 HZ3 TRP 53 -5.884 -1.972 4.777
251 HH2 TRP 53 HH2 TRP 53 -6.180 -4.270 5.548
252 H ASP 54 H ASP 54 -4.285 -0.441 1.231
253 HA ASP 54 HA ASP 54 -6.677 -1.894 1.628
254 1HB ASP 54 1HB ASP 54 -5.772 -0.153 3.190
255 2HB ASP 54 2HB ASP 54 -6.236 1.079 2.019
256 H GLN 55 H GLN 55 -5.673 0.533 -0.671
257 HA GLN 55 HA GLN 55 -8.244 1.146 -1.689
258 1HB GLN 55 1HB GLN 55 -5.442 1.521 -2.672
259 2HB GLN 55 2HB GLN 55 -6.784 1.790 -3.775
260 1HG GLN 55 1HG GLN 55 -7.662 3.272 -1.782
261 2HG GLN 55 2HG GLN 55 -5.952 3.338 -1.386
262 1HE2 GLN 55 1HE2 GLN 55 -4.499 4.245 -2.879
263 2HE2 GLN 55 2HE2 GLN 55 -5.038 5.350 -4.094
264 H TYR 56 H TYR 56 -5.997 -1.390 -2.152
265 HA TYR 56 HA TYR 56 -7.090 -2.392 -4.599
266 1HB TYR 56 1HB TYR 56 -4.782 -2.863 -3.092
267 2HB TYR 56 2HB TYR 56 -5.671 -4.379 -3.046
268 HD1 TYR 56 HD1 TYR 56 -4.294 -1.837 -5.358
269 HD2 TYR 56 HD2 TYR 56 -5.703 -5.814 -4.879
270 HE1 TYR 56 HE1 TYR 56 -3.492 -2.385 -7.612
271 HE2 TYR 56 HE2 TYR 56 -4.910 -6.376 -7.127
272 HH TYR 56 HH TYR 56 -4.197 -5.482 -9.119
273 H LYS 57 H LYS 57 -9.296 -2.076 -3.284
274 HA LYS 57 HA LYS 57 -10.013 -4.383 -1.698
275 1HB LYS 57 1HB LYS 57 -11.194 -1.779 -2.349
276 2HB LYS 57 2HB LYS 57 -12.371 -3.083 -2.249
277 1HG LYS 57 1HG LYS 57 -10.592 -3.298 -0.037
278 2HG LYS 57 2HG LYS 57 -11.159 -1.632 -0.147
279 1HD LYS 57 1HD LYS 57 -13.388 -2.240 0.121
280 2HD LYS 57 2HD LYS 57 -13.090 -3.912 -0.361
281 1HE LYS 57 1HE LYS 57 -12.360 -2.567 2.231
282 2HE LYS 57 2HE LYS 57 -13.453 -3.928 1.986
283 1HZ LYS 57 1HZ LYS 57 -11.306 -5.025 1.022
284 2HZ LYS 57 2HZ LYS 57 -11.578 -4.993 2.692
285 3HZ LYS 57 3HZ LYS 57 -10.520 -3.877 1.987
286 H ASP 58 H ASP 58 -9.490 -4.076 -4.861
287 HA ASP 58 HA ASP 58 -11.837 -5.501 -5.823
288 1HB ASP 58 1HB ASP 58 -10.185 -3.639 -6.990
289 2HB ASP 58 2HB ASP 58 -9.568 -5.145 -7.665
290 H LYS 59 H LYS 59 -8.393 -5.943 -5.318
291 HA LYS 59 HA LYS 59 -8.571 -8.757 -6.102
292 1HB LYS 59 1HB LYS 59 -6.688 -6.873 -6.632
293 2HB LYS 59 2HB LYS 59 -5.995 -7.657 -5.220
294 1HG LYS 59 1HG LYS 59 -5.165 -9.163 -6.620
295 2HG LYS 59 2HG LYS 59 -6.818 -9.757 -6.782
296 1HD LYS 59 1HD LYS 59 -5.896 -7.477 -8.475
297 2HD LYS 59 2HD LYS 59 -5.448 -9.126 -8.913
298 1HE LYS 59 1HE LYS 59 -8.175 -9.198 -8.283
299 2HE LYS 59 2HE LYS 59 -7.948 -7.761 -9.275
300 1HZ LYS 59 1HZ LYS 59 -7.609 -10.579 -9.967
301 2HZ LYS 59 2HZ LYS 59 -6.557 -9.473 -10.695
302 3HZ LYS 59 3HZ LYS 59 -8.228 -9.307 -10.892
303 H GLU 60 H GLU 60 -9.902 -8.229 -3.804
304 HA GLU 60 HA GLU 60 -8.186 -8.810 -1.541
305 1HB GLU 60 1HB GLU 60 -10.338 -8.749 -0.245
306 2HB GLU 60 2HB GLU 60 -9.933 -7.258 -1.080
307 1HG GLU 60 1HG GLU 60 -11.709 -7.386 -2.457
308 2HG GLU 60 2HG GLU 60 -11.643 -9.144 -2.562
309 H ASP 61 H ASP 61 -10.644 -10.434 -3.485
310 HA ASP 61 HA ASP 61 -10.143 -12.904 -1.965
311 1HB ASP 61 1HB ASP 61 -12.534 -11.735 -3.111
312 2HB ASP 61 2HB ASP 61 -12.279 -13.368 -3.716
313 H ARG 62 H ARG 62 -8.459 -11.725 -4.147
314 HA ARG 62 HA ARG 62 -8.707 -13.860 -6.135
315 1HB ARG 62 1HB ARG 62 -7.029 -11.370 -6.375
316 2HB ARG 62 2HB ARG 62 -7.504 -12.478 -7.654
317 1HG ARG 62 1HG ARG 62 -9.506 -10.896 -6.082
318 2HG ARG 62 2HG ARG 62 -8.723 -10.265 -7.525
319 1HD ARG 62 1HD ARG 62 -9.712 -12.924 -8.002
320 2HD ARG 62 2HD ARG 62 -11.001 -11.892 -7.391
321 HE ARG 62 HE ARG 62 -9.499 -11.516 -9.881
322 1HH1 ARG 62 1HH1 ARG 62 -12.084 -10.508 -7.751
323 2HH1 ARG 62 2HH1 ARG 62 -12.856 -9.536 -8.955
324 1HH2 ARG 62 1HH2 ARG 62 -10.518 -10.229 -11.456
325 2HH2 ARG 62 2HH2 ARG 62 -11.972 -9.375 -11.053
326 H ARG 63 H ARG 63 -7.048 -15.189 -6.599
327 HA ARG 63 HA ARG 63 -5.202 -15.787 -4.548
328 1HB ARG 63 1HB ARG 63 -4.241 -17.349 -6.312
329 2HB ARG 63 2HB ARG 63 -5.934 -17.585 -5.891
330 1HG ARG 63 1HG ARG 63 -6.113 -15.820 -7.967
331 2HG ARG 63 2HG ARG 63 -4.717 -16.799 -8.430
332 1HD ARG 63 1HD ARG 63 -7.459 -17.815 -7.709
333 2HD ARG 63 2HD ARG 63 -6.751 -17.769 -9.323
334 HE ARG 63 HE ARG 63 -5.062 -19.369 -8.445
335 1HH1 ARG 63 1HH1 ARG 63 -8.195 -19.144 -6.899
336 2HH1 ARG 63 2HH1 ARG 63 -8.128 -20.753 -6.271
337 1HH2 ARG 63 1HH2 ARG 63 -4.989 -21.477 -7.614
338 2HH2 ARG 63 2HH2 ARG 63 -6.316 -22.076 -6.675
339 H ASP 64 H ASP 64 -5.055 -13.681 -7.274
340 HA ASP 64 HA ASP 64 -2.159 -13.610 -7.313
341 1HB ASP 64 1HB ASP 64 -2.341 -12.251 -9.232
342 2HB ASP 64 2HB ASP 64 -3.649 -13.422 -9.369
343 H ASP 65 H ASP 65 -3.024 -12.928 -4.816
344 HA ASP 65 HA ASP 65 -3.491 -10.222 -4.320
345 1HB ASP 65 1HB ASP 65 -2.804 -12.566 -2.788
346 2HB ASP 65 2HB ASP 65 -1.881 -11.186 -2.205
347 H ALA 66 H ALA 66 -0.599 -11.883 -5.255
348 HA ALA 66 HA ALA 66 1.383 -10.144 -4.352
349 1HB ALA 66 1HB ALA 66 2.795 -11.257 -5.713
350 2HB ALA 66 2HB ALA 66 1.718 -11.140 -7.103
351 3HB ALA 66 3HB ALA 66 1.432 -12.366 -5.867
352 H SER 67 H SER 67 -0.696 -9.986 -7.197
353 HA SER 67 HA SER 67 0.389 -7.789 -8.500
354 1HB SER 67 1HB SER 67 -1.457 -9.188 -9.379
355 2HB SER 67 2HB SER 67 -2.549 -8.475 -8.200
356 HG SER 67 HG SER 67 -1.228 -7.185 -10.350
357 H ARG 68 H ARG 68 -2.038 -7.947 -5.950
358 HA ARG 68 HA ARG 68 -2.532 -5.216 -5.615
359 1HB ARG 68 1HB ARG 68 -3.877 -6.926 -4.480
360 2HB ARG 68 2HB ARG 68 -2.472 -7.415 -3.529
361 1HG ARG 68 1HG ARG 68 -3.306 -4.578 -3.353
362 2HG ARG 68 2HG ARG 68 -4.334 -5.784 -2.582
363 1HD ARG 68 1HD ARG 68 -1.394 -5.898 -2.092
364 2HD ARG 68 2HD ARG 68 -2.335 -4.644 -1.292
365 HE ARG 68 HE ARG 68 -3.557 -6.308 -0.142
366 1HH1 ARG 68 1HH1 ARG 68 -0.937 -7.634 -2.037
367 2HH1 ARG 68 2HH1 ARG 68 -0.923 -9.138 -1.188
368 1HH2 ARG 68 1HH2 ARG 68 -3.527 -8.286 0.969
369 2HH2 ARG 68 2HH2 ARG 68 -2.387 -9.508 0.517
370 H GLU 69 H GLU 69 -0.369 -7.254 -3.667
371 HA GLU 69 HA GLU 69 0.962 -5.309 -2.262
372 1HB GLU 69 1HB GLU 69 1.238 -7.704 -1.846
373 2HB GLU 69 2HB GLU 69 2.077 -7.897 -3.380
374 1HG GLU 69 1HG GLU 69 3.946 -6.683 -2.603
375 2HG GLU 69 2HG GLU 69 3.064 -6.115 -1.192
376 H GLU 70 H GLU 70 1.732 -6.645 -5.447
377 HA GLU 70 HA GLU 70 4.033 -5.226 -6.048
378 1HB GLU 70 1HB GLU 70 2.562 -7.024 -7.386
379 2HB GLU 70 2HB GLU 70 2.002 -5.572 -8.200
380 1HG GLU 70 1HG GLU 70 3.731 -6.137 -9.551
381 2HG GLU 70 2HG GLU 70 4.577 -5.093 -8.407
382 H THR 71 H THR 71 0.691 -4.364 -6.954
383 HA THR 71 HA THR 71 1.189 -1.853 -7.995
384 HB THR 71 HB THR 71 -1.206 -2.716 -6.363
385 HG1 THR 71 HG1 THR 71 -1.735 -3.719 -8.113
386 1HG2 THR 71 1HG2 THR 71 -2.280 -0.902 -7.908
387 2HG2 THR 71 2HG2 THR 71 -0.641 -0.235 -7.903
388 3HG2 THR 71 3HG2 THR 71 -1.513 -0.450 -6.382
389 H ALA 72 H ALA 72 0.392 -2.629 -4.598
390 HA ALA 72 HA ALA 72 0.555 -0.058 -3.588
391 1HB ALA 72 1HB ALA 72 0.316 -2.629 -2.508
392 2HB ALA 72 2HB ALA 72 0.162 -1.096 -1.651
393 3HB ALA 72 3HB ALA 72 1.714 -1.913 -1.723
394 H HIS 73 H HIS 73 3.102 -2.422 -4.166
395 HA HIS 73 HA HIS 73 5.290 -1.000 -3.157
396 1HB HIS 73 1HB HIS 73 4.968 -3.039 -5.330
397 2HB HIS 73 2HB HIS 73 6.495 -2.188 -5.204
398 HD2 HIS 73 HD2 HIS 73 4.478 -4.959 -3.362
399 HE1 HIS 73 HE1 HIS 73 8.269 -4.574 -1.489
400 HE2 HIS 73 HE2 HIS 73 6.119 -5.886 -1.590
401 H LYS 74 H LYS 74 3.804 -0.978 -6.377
402 HA LYS 74 HA LYS 74 5.429 0.950 -7.566
403 1HB LYS 74 1HB LYS 74 2.614 0.025 -8.102
404 2HB LYS 74 2HB LYS 74 3.380 1.278 -9.077
405 1HG LYS 74 1HG LYS 74 4.171 -0.359 -10.343
406 2HG LYS 74 2HG LYS 74 5.266 -0.730 -9.015
407 1HD LYS 74 1HD LYS 74 4.333 -2.737 -8.878
408 2HD LYS 74 2HD LYS 74 2.845 -1.954 -8.353
409 1HE LYS 74 1HE LYS 74 2.004 -3.030 -10.160
410 2HE LYS 74 2HE LYS 74 2.607 -1.595 -10.992
411 1HZ LYS 74 1HZ LYS 74 4.490 -2.738 -11.736
412 2HZ LYS 74 2HZ LYS 74 3.222 -3.835 -11.964
413 3HZ LYS 74 3HZ LYS 74 4.271 -4.016 -10.648
414 H VAL 75 H VAL 75 2.424 1.262 -5.755
415 HA VAL 75 HA VAL 75 2.124 4.049 -6.161
416 HB VAL 75 HB VAL 75 1.051 2.349 -3.912
417 1HG1 VAL 75 1HG1 VAL 75 0.065 5.006 -4.957
418 2HG1 VAL 75 2HG1 VAL 75 1.012 4.800 -3.484
419 3HG1 VAL 75 3HG1 VAL 75 -0.596 4.089 -3.602
420 1HG2 VAL 75 1HG2 VAL 75 0.339 2.692 -6.739
421 2HG2 VAL 75 2HG2 VAL 75 -1.012 2.766 -5.605
422 3HG2 VAL 75 3HG2 VAL 75 0.034 1.343 -5.645
423 H ALA 76 H ALA 76 3.161 2.230 -3.277
424 HA ALA 76 HA ALA 76 3.886 4.284 -1.643
425 1HB ALA 76 1HB ALA 76 4.212 2.400 -0.492
426 2HB ALA 76 2HB ALA 76 5.866 2.513 -1.090
427 3HB ALA 76 3HB ALA 76 4.693 1.490 -1.920
428 H TRP 77 H TRP 77 5.910 2.791 -4.120
429 HA TRP 77 HA TRP 77 8.193 4.365 -3.702
430 1HB TRP 77 1HB TRP 77 7.151 2.730 -5.946
431 2HB TRP 77 2HB TRP 77 8.370 3.934 -6.353
432 HD1 TRP 77 HD1 TRP 77 8.127 0.473 -5.388
433 HE1 TRP 77 HE1 TRP 77 10.342 -0.429 -4.443
434 HE3 TRP 77 HE3 TRP 77 10.487 4.914 -4.547
435 HZ2 TRP 77 HZ2 TRP 77 12.780 0.621 -3.462
436 HZ3 TRP 77 HZ3 TRP 77 12.755 4.886 -3.595
437 HH2 TRP 77 HH2 TRP 77 13.877 2.784 -3.065
438 H ALA 78 H ALA 78 5.337 4.879 -5.753
439 HA ALA 78 HA ALA 78 6.068 7.192 -7.067
440 1HB ALA 78 1HB ALA 78 3.981 6.142 -7.596
441 2HB ALA 78 2HB ALA 78 3.636 7.784 -7.052
442 3HB ALA 78 3HB ALA 78 3.363 6.421 -5.968
443 H ALA 79 H ALA 79 4.773 6.835 -3.792
444 HA ALA 79 HA ALA 79 4.713 9.592 -3.155
445 1HB ALA 79 1HB ALA 79 3.480 8.539 -1.588
446 2HB ALA 79 2HB ALA 79 5.022 8.360 -0.754
447 3HB ALA 79 3HB ALA 79 4.393 7.036 -1.735
448 H VAL 80 H VAL 80 7.036 6.991 -2.708
449 HA VAL 80 HA VAL 80 8.976 8.413 -1.298
450 HB VAL 80 HB VAL 80 9.251 6.028 -3.145
451 1HG1 VAL 80 1HG1 VAL 80 11.247 7.639 -1.740
452 2HG1 VAL 80 2HG1 VAL 80 11.443 6.476 -3.050
453 3HG1 VAL 80 3HG1 VAL 80 11.333 5.917 -1.383
454 1HG2 VAL 80 1HG2 VAL 80 7.935 5.359 -1.343
455 2HG2 VAL 80 2HG2 VAL 80 8.799 6.389 -0.201
456 3HG2 VAL 80 3HG2 VAL 80 9.565 4.934 -0.829
457 H LYS 81 H LYS 81 8.711 7.797 -4.827
458 HA LYS 81 HA LYS 81 10.995 9.283 -5.527
459 1HB LYS 81 1HB LYS 81 8.613 8.967 -7.331
460 2HB LYS 81 2HB LYS 81 10.315 9.021 -7.760
461 1HG LYS 81 1HG LYS 81 10.422 6.830 -6.326
462 2HG LYS 81 2HG LYS 81 8.698 6.771 -6.688
463 1HD LYS 81 1HD LYS 81 9.198 6.906 -9.080
464 2HD LYS 81 2HD LYS 81 10.924 6.936 -8.716
465 1HE LYS 81 1HE LYS 81 10.361 4.731 -7.407
466 2HE LYS 81 2HE LYS 81 8.966 4.696 -8.485
467 1HZ LYS 81 1HZ LYS 81 11.515 3.817 -9.040
468 2HZ LYS 81 2HZ LYS 81 11.348 5.245 -9.931
469 3HZ LYS 81 3HZ LYS 81 10.238 3.985 -10.137
470 H HIS 82 H HIS 82 7.977 10.318 -4.424
471 HA HIS 82 HA HIS 82 8.030 12.883 -5.787
472 1HB HIS 82 1HB HIS 82 5.914 11.554 -5.138
473 2HB HIS 82 2HB HIS 82 6.190 12.173 -3.513
474 HD2 HIS 82 HD2 HIS 82 4.816 14.457 -3.100
475 HE1 HIS 82 HE1 HIS 82 4.681 15.824 -7.113
476 HE2 HIS 82 HE2 HIS 82 4.047 16.317 -4.725
477 H GLU 83 H GLU 83 8.335 11.662 -2.477
478 HA GLU 83 HA GLU 83 9.276 14.269 -1.549
479 1HB GLU 83 1HB GLU 83 9.180 11.975 0.320
480 2HB GLU 83 2HB GLU 83 8.653 13.636 0.543
481 1HG GLU 83 1HG GLU 83 6.826 12.802 -1.239
482 2HG GLU 83 2HG GLU 83 7.165 11.283 -0.411
483 H TYR 84 H TYR 84 10.512 11.337 -2.642
484 HA TYR 84 HA TYR 84 13.180 12.031 -1.647
485 1HB TYR 84 1HB TYR 84 11.808 9.364 -1.548
486 2HB TYR 84 2HB TYR 84 13.562 9.469 -1.590
487 HD1 TYR 84 HD1 TYR 84 14.798 10.086 0.345
488 HD2 TYR 84 HD2 TYR 84 10.554 10.353 0.363
489 HE1 TYR 84 HE1 TYR 84 14.836 10.447 2.779
490 HE2 TYR 84 HE2 TYR 84 10.591 10.718 2.799
491 HH TYR 84 HH TYR 84 12.776 11.739 4.482
492 H ALA 85 H ALA 85 14.910 11.492 -2.958
493 HA ALA 85 HA ALA 85 14.224 10.752 -5.729
494 1HB ALA 85 1HB ALA 85 15.729 13.059 -4.677
495 2HB ALA 85 2HB ALA 85 14.808 12.889 -6.174
496 3HB ALA 85 3HB ALA 85 16.450 12.247 -6.070
497 H LYS 86 H LYS 86 15.630 9.346 -6.797
498 HA LYS 86 HA LYS 86 17.523 7.966 -5.067
499 1HB LYS 86 1HB LYS 86 15.921 6.704 -6.561
500 2HB LYS 86 2HB LYS 86 16.862 7.273 -7.924
501 1HG LYS 86 1HG LYS 86 18.820 6.130 -7.078
502 2HG LYS 86 2HG LYS 86 17.926 5.615 -5.647
503 1HD LYS 86 1HD LYS 86 17.733 3.735 -6.943
504 2HD LYS 86 2HD LYS 86 16.286 4.609 -7.450
505 1HE LYS 86 1HE LYS 86 17.931 5.624 -9.235
506 2HE LYS 86 2HE LYS 86 18.845 4.153 -8.908
507 1HZ LYS 86 1HZ LYS 86 15.963 4.064 -9.559
508 2HZ LYS 86 2HZ LYS 86 17.103 2.819 -9.655
509 3HZ LYS 86 3HZ LYS 86 17.141 4.088 -10.773
510 H GLY 87 H GLY 87 19.621 8.544 -5.044
511 1HA GLY 87 1HA GLY 87 20.640 10.491 -6.787
512 2HA GLY 87 2HA GLY 87 21.602 9.459 -5.736
513 H ASP 88 H ASP 88 23.031 9.729 -7.766
514 HA ASP 88 HA ASP 88 22.218 8.123 -10.016
515 1HB ASP 88 1HB ASP 88 24.591 8.640 -10.804
516 2HB ASP 88 2HB ASP 88 23.495 10.004 -10.616
517 H ASP 89 H ASP 89 22.417 6.673 -7.475
518 HA ASP 89 HA ASP 89 24.457 4.747 -8.303
519 1HB ASP 89 1HB ASP 89 23.775 5.306 -5.424
520 2HB ASP 89 2HB ASP 89 25.073 4.289 -6.035
521 H ASP 90 H ASP 90 22.238 4.601 -5.656
522 HA ASP 90 HA ASP 90 20.135 3.219 -6.845
523 1HB ASP 90 1HB ASP 90 22.444 1.593 -6.364
524 2HB ASP 90 2HB ASP 90 21.182 1.118 -5.241
525 H LYS 91 H LYS 91 20.873 5.240 -4.944
526 HA LYS 91 HA LYS 91 19.377 4.254 -2.609
527 1HB LYS 91 1HB LYS 91 21.962 5.633 -2.773
528 2HB LYS 91 2HB LYS 91 20.875 6.241 -1.553
529 1HG LYS 91 1HG LYS 91 20.701 4.006 -0.595
530 2HG LYS 91 2HG LYS 91 21.758 3.390 -1.871
531 1HD LYS 91 1HD LYS 91 22.909 5.666 -0.457
532 2HD LYS 91 2HD LYS 91 22.557 4.288 0.620
533 1HE LYS 91 1HE LYS 91 23.948 2.848 -0.608
534 2HE LYS 91 2HE LYS 91 24.005 3.936 -1.993
535 1HZ LYS 91 1HZ LYS 91 25.548 5.272 -0.999
536 2HZ LYS 91 2HZ LYS 91 25.991 3.783 -0.328
537 3HZ LYS 91 3HZ LYS 91 25.067 4.876 0.574
538 H TRP 92 H TRP 92 18.235 5.948 -1.438
539 HA TRP 92 HA TRP 92 17.436 8.132 -3.233
540 1HB TRP 92 1HB TRP 92 15.777 6.606 -1.227
541 2HB TRP 92 2HB TRP 92 15.216 8.031 -2.094
542 HD1 TRP 92 HD1 TRP 92 16.329 4.404 -2.790
543 HE1 TRP 92 HE1 TRP 92 15.192 3.612 -4.958
544 HE3 TRP 92 HE3 TRP 92 14.084 8.781 -4.164
545 HZ2 TRP 92 HZ2 TRP 92 13.562 4.703 -6.985
546 HZ3 TRP 92 HZ3 TRP 92 12.757 8.825 -6.233
547 HH2 TRP 92 HH2 TRP 92 12.503 6.827 -7.613
548 H HIS 93 H HIS 93 16.746 10.097 -2.315
549 HA HIS 93 HA HIS 93 17.444 10.647 0.464
550 1HB HIS 93 1HB HIS 93 18.703 12.683 -0.184
551 2HB HIS 93 2HB HIS 93 19.490 11.214 -0.752
552 HD2 HIS 93 HD2 HIS 93 18.983 10.732 -3.617
553 HE1 HIS 93 HE1 HIS 93 18.435 14.876 -4.355
554 HE2 HIS 93 HE2 HIS 93 18.757 12.601 -5.392
555 H LYS 94 H LYS 94 16.007 12.104 1.379
556 HA LYS 94 HA LYS 94 13.608 12.561 0.071
557 1HB LYS 94 1HB LYS 94 14.131 12.739 2.603
558 2HB LYS 94 2HB LYS 94 14.428 14.438 2.240
559 1HG LYS 94 1HG LYS 94 12.194 14.627 1.263
560 2HG LYS 94 2HG LYS 94 11.891 12.932 1.626
561 1HD LYS 94 1HD LYS 94 12.468 13.636 4.070
562 2HD LYS 94 2HD LYS 94 12.098 15.260 3.487
563 1HE LYS 94 1HE LYS 94 10.007 13.766 2.509
564 2HE LYS 94 2HE LYS 94 10.314 13.026 4.080
565 1HZ LYS 94 1HZ LYS 94 9.887 15.931 3.634
566 2HZ LYS 94 2HZ LYS 94 10.068 15.161 5.129
567 3HZ LYS 94 3HZ LYS 94 8.700 14.855 4.180
568 H LYS 95 H LYS 95 12.961 13.795 -1.398
569 HA LYS 95 HA LYS 95 14.526 15.958 -2.412
570 1HB LYS 95 1HB LYS 95 12.017 14.553 -3.207
571 2HB LYS 95 2HB LYS 95 12.393 16.112 -3.908
572 1HG LYS 95 1HG LYS 95 14.512 14.059 -3.937
573 2HG LYS 95 2HG LYS 95 13.146 13.846 -5.032
574 1HD LYS 95 1HD LYS 95 14.469 16.511 -4.909
575 2HD LYS 95 2HD LYS 95 15.295 15.200 -5.757
576 1HE LYS 95 1HE LYS 95 13.464 14.903 -7.247
577 2HE LYS 95 2HE LYS 95 12.436 15.972 -6.296
578 1HZ LYS 95 1HZ LYS 95 14.091 17.769 -6.842
579 2HZ LYS 95 2HZ LYS 95 13.154 17.214 -8.136
580 3HZ LYS 95 3HZ LYS 95 14.761 16.707 -7.977
581 H SER 96 H SER 96 11.039 15.977 -1.993
582 HA SER 96 HA SER 96 10.971 18.713 -1.227
583 1HB SER 96 1HB SER 96 9.091 17.682 -2.405
584 2HB SER 96 2HB SER 96 8.813 16.594 -1.045
585 HG SER 96 HG SER 96 8.328 18.413 0.229
Start of MODEL 6
1 HA PRO 22 HA PRO 22 2.919 -7.627 4.563
2 1HB PRO 22 1HB PRO 22 4.158 -5.712 2.722
3 2HB PRO 22 2HB PRO 22 3.876 -7.438 2.512
4 1HG PRO 22 1HG PRO 22 2.495 -5.628 1.122
5 2HG PRO 22 2HG PRO 22 1.754 -7.135 1.677
6 1HD PRO 22 1HD PRO 22 1.573 -4.398 2.888
7 2HD PRO 22 2HD PRO 22 0.282 -5.573 2.574
8 H TYR 23 H TYR 23 2.555 -4.243 5.092
9 HA TYR 23 HA TYR 23 5.075 -4.192 6.616
10 1HB TYR 23 1HB TYR 23 3.644 -1.833 5.384
11 2HB TYR 23 2HB TYR 23 5.210 -1.811 6.192
12 HD1 TYR 23 HD1 TYR 23 4.200 -1.150 3.202
13 HD2 TYR 23 HD2 TYR 23 6.396 -4.294 5.049
14 HE1 TYR 23 HE1 TYR 23 5.293 -1.643 1.059
15 HE2 TYR 23 HE2 TYR 23 7.486 -4.795 2.913
16 HH TYR 23 HH TYR 23 7.200 -2.716 0.160
17 H LYS 24 H LYS 24 5.018 -3.429 8.727
18 HA LYS 24 HA LYS 24 2.319 -2.900 9.771
19 1HB LYS 24 1HB LYS 24 4.160 -4.921 10.465
20 2HB LYS 24 2HB LYS 24 4.095 -3.810 11.823
21 1HG LYS 24 1HG LYS 24 2.485 -5.785 11.822
22 2HG LYS 24 2HG LYS 24 1.825 -4.191 12.185
23 1HD LYS 24 1HD LYS 24 1.768 -4.800 9.337
24 2HD LYS 24 2HD LYS 24 0.865 -5.972 10.299
25 1HE LYS 24 1HE LYS 24 0.161 -3.516 11.378
26 2HE LYS 24 2HE LYS 24 0.231 -3.218 9.642
27 1HZ LYS 24 1HZ LYS 24 -1.710 -4.663 11.146
28 2HZ LYS 24 2HZ LYS 24 -1.084 -5.610 9.892
29 3HZ LYS 24 3HZ LYS 24 -1.786 -4.108 9.549
30 H THR 25 H THR 25 5.769 -2.067 10.175
31 HA THR 25 HA THR 25 4.860 0.396 11.501
32 HB THR 25 HB THR 25 6.884 0.348 12.868
33 HG1 THR 25 HG1 THR 25 8.007 -1.779 12.856
34 1HG2 THR 25 1HG2 THR 25 6.315 -2.148 13.844
35 2HG2 THR 25 2HG2 THR 25 4.809 -1.673 13.057
36 3HG2 THR 25 3HG2 THR 25 5.513 -0.647 14.305
37 H LYS 26 H LYS 26 7.791 -0.990 10.035
38 HA LYS 26 HA LYS 26 7.939 0.750 7.854
39 1HB LYS 26 1HB LYS 26 8.373 2.311 9.916
40 2HB LYS 26 2HB LYS 26 9.967 1.575 9.906
41 1HG LYS 26 1HG LYS 26 10.578 2.610 7.977
42 2HG LYS 26 2HG LYS 26 8.929 2.667 7.355
43 1HD LYS 26 1HD LYS 26 9.591 4.905 7.885
44 2HD LYS 26 2HD LYS 26 8.414 4.388 9.092
45 1HE LYS 26 1HE LYS 26 11.260 3.891 9.714
46 2HE LYS 26 2HE LYS 26 10.739 5.575 9.710
47 1HZ LYS 26 1HZ LYS 26 9.622 3.362 11.343
48 2HZ LYS 26 2HZ LYS 26 8.929 4.902 11.246
49 3HZ LYS 26 3HZ LYS 26 10.478 4.712 11.899
50 H SER 27 H SER 27 10.013 -0.762 10.321
51 HA SER 27 HA SER 27 12.127 -1.472 8.634
52 1HB SER 27 1HB SER 27 11.996 -3.502 10.550
53 2HB SER 27 2HB SER 27 12.903 -1.997 10.679
54 HG SER 27 HG SER 27 10.279 -2.534 11.609
55 H ASP 28 H ASP 28 8.959 -2.771 8.946
56 HA ASP 28 HA ASP 28 9.386 -5.394 8.028
57 1HB ASP 28 1HB ASP 28 7.007 -3.560 8.028
58 2HB ASP 28 2HB ASP 28 6.926 -5.146 7.270
59 H LEU 29 H LEU 29 9.563 -2.387 6.409
60 HA LEU 29 HA LEU 29 8.752 -3.053 3.836
61 1HB LEU 29 1HB LEU 29 10.878 -1.150 4.781
62 2HB LEU 29 2HB LEU 29 10.340 -1.251 3.115
63 HG LEU 29 HG LEU 29 8.537 -0.583 5.435
64 1HD1 LEU 29 1HD1 LEU 29 9.212 1.454 3.425
65 2HD1 LEU 29 2HD1 LEU 29 10.502 1.027 4.553
66 3HD1 LEU 29 3HD1 LEU 29 8.947 1.607 5.164
67 1HD2 LEU 29 1HD2 LEU 29 6.893 -0.071 3.826
68 2HD2 LEU 29 2HD2 LEU 29 7.551 -1.636 3.355
69 3HD2 LEU 29 3HD2 LEU 29 8.050 -0.178 2.502
70 HA PRO 30 HA PRO 30 11.764 -5.658 2.030
71 1HB PRO 30 1HB PRO 30 12.122 -3.847 -0.248
72 2HB PRO 30 2HB PRO 30 11.452 -5.471 -0.214
73 1HG PRO 30 1HG PRO 30 9.916 -3.330 -0.630
74 2HG PRO 30 2HG PRO 30 9.345 -4.721 0.292
75 1HD PRO 30 1HD PRO 30 10.359 -2.089 1.289
76 2HD PRO 30 2HD PRO 30 8.971 -3.046 1.841
77 H GLU 31 H GLU 31 13.872 -6.017 2.234
78 HA GLU 31 HA GLU 31 15.643 -4.203 3.316
79 1HB GLU 31 1HB GLU 31 17.454 -5.727 2.669
80 2HB GLU 31 2HB GLU 31 16.081 -6.604 3.327
81 1HG GLU 31 1HG GLU 31 16.444 -6.275 0.372
82 2HG GLU 31 2HG GLU 31 17.273 -7.545 1.266
83 H SER 32 H SER 32 15.149 -4.969 -0.119
84 HA SER 32 HA SER 32 17.198 -3.309 -1.127
85 1HB SER 32 1HB SER 32 15.818 -5.121 -2.330
86 2HB SER 32 2HB SER 32 14.638 -3.845 -2.607
87 HG SER 32 HG SER 32 15.854 -3.431 -4.276
88 H VAL 33 H VAL 33 14.261 -2.588 0.350
89 HA VAL 33 HA VAL 33 13.997 0.038 -0.898
90 HB VAL 33 HB VAL 33 12.241 -1.401 1.109
91 1HG1 VAL 33 1HG1 VAL 33 12.004 1.300 -0.193
92 2HG1 VAL 33 2HG1 VAL 33 11.884 0.884 1.517
93 3HG1 VAL 33 3HG1 VAL 33 10.592 0.426 0.406
94 1HG2 VAL 33 1HG2 VAL 33 12.361 -2.314 -1.241
95 2HG2 VAL 33 2HG2 VAL 33 11.659 -0.787 -1.780
96 3HG2 VAL 33 3HG2 VAL 33 10.756 -1.831 -0.685
97 H LYS 34 H LYS 34 14.155 -1.376 2.367
98 HA LYS 34 HA LYS 34 14.575 1.038 3.743
99 1HB LYS 34 1HB LYS 34 15.494 -1.747 4.505
100 2HB LYS 34 2HB LYS 34 15.316 -0.378 5.600
101 1HG LYS 34 1HG LYS 34 12.920 -0.359 5.222
102 2HG LYS 34 2HG LYS 34 13.076 -1.678 4.062
103 1HD LYS 34 1HD LYS 34 13.762 -1.807 6.998
104 2HD LYS 34 2HD LYS 34 12.327 -2.494 6.239
105 1HE LYS 34 1HE LYS 34 13.662 -4.038 4.973
106 2HE LYS 34 2HE LYS 34 15.149 -3.268 5.518
107 1HZ LYS 34 1HZ LYS 34 13.781 -3.969 7.809
108 2HZ LYS 34 2HZ LYS 34 15.167 -4.709 7.180
109 3HZ LYS 34 3HZ LYS 34 13.636 -5.303 6.776
110 H HIS 35 H HIS 35 16.760 -1.144 2.081
111 HA HIS 35 HA HIS 35 19.160 0.079 3.132
112 1HB HIS 35 1HB HIS 35 18.525 -2.343 1.806
113 2HB HIS 35 2HB HIS 35 19.701 -1.498 0.815
114 HD2 HIS 35 HD2 HIS 35 19.621 -3.787 3.805
115 HE1 HIS 35 HE1 HIS 35 23.387 -1.838 3.941
116 HE2 HIS 35 HE2 HIS 35 21.998 -3.749 4.818
117 H VAL 36 H VAL 36 17.214 1.707 1.586
118 HA VAL 36 HA VAL 36 19.133 3.084 -0.077
119 HB VAL 36 HB VAL 36 17.553 3.098 -2.050
120 1HG1 VAL 36 1HG1 VAL 36 18.455 1.111 -2.989
121 2HG1 VAL 36 2HG1 VAL 36 18.615 0.352 -1.407
122 3HG1 VAL 36 3HG1 VAL 36 19.656 1.707 -1.844
123 1HG2 VAL 36 1HG2 VAL 36 15.552 2.301 -0.921
124 2HG2 VAL 36 2HG2 VAL 36 16.344 0.765 -0.552
125 3HG2 VAL 36 3HG2 VAL 36 15.988 1.198 -2.228
126 H LEU 37 H LEU 37 15.870 2.758 1.201
127 HA LEU 37 HA LEU 37 15.295 5.562 0.739
128 1HB LEU 37 1HB LEU 37 13.749 3.186 1.248
129 2HB LEU 37 2HB LEU 37 13.304 4.464 2.361
130 HG LEU 37 HG LEU 37 12.426 5.795 0.722
131 1HD1 LEU 37 1HD1 LEU 37 13.038 5.249 -1.774
132 2HD1 LEU 37 2HD1 LEU 37 14.478 4.556 -1.027
133 3HD1 LEU 37 3HD1 LEU 37 14.083 6.257 -0.767
134 1HD2 LEU 37 1HD2 LEU 37 11.684 3.138 0.686
135 2HD2 LEU 37 2HD2 LEU 37 11.873 3.554 -1.020
136 3HD2 LEU 37 3HD2 LEU 37 10.786 4.492 0.001
137 HA PRO 38 HA PRO 38 16.904 6.974 4.568
138 1HB PRO 38 1HB PRO 38 14.996 9.183 3.965
139 2HB PRO 38 2HB PRO 38 16.730 9.263 4.307
140 1HG PRO 38 1HG PRO 38 15.921 9.585 1.817
141 2HG PRO 38 2HG PRO 38 17.301 8.527 2.135
142 1HD PRO 38 1HD PRO 38 14.440 7.784 1.665
143 2HD PRO 38 2HD PRO 38 15.902 7.124 0.914
144 H SER 39 H SER 39 15.752 8.254 6.517
145 HA SER 39 HA SER 39 14.146 6.408 7.812
146 1HB SER 39 1HB SER 39 15.521 8.242 8.862
147 2HB SER 39 2HB SER 39 14.209 9.352 8.471
148 HG SER 39 HG SER 39 14.024 7.032 10.098
149 H HIS 40 H HIS 40 12.922 9.682 7.139
150 HA HIS 40 HA HIS 40 10.240 9.005 7.437
151 1HB HIS 40 1HB HIS 40 11.056 11.294 7.595
152 2HB HIS 40 2HB HIS 40 11.441 11.298 5.881
153 HD2 HIS 40 HD2 HIS 40 9.527 12.609 4.513
154 HE1 HIS 40 HE1 HIS 40 6.226 11.651 7.004
155 HE2 HIS 40 HE2 HIS 40 6.985 12.865 4.930
156 H ALA 41 H ALA 41 12.263 8.317 4.763
157 HA ALA 41 HA ALA 41 10.292 8.426 2.707
158 1HB ALA 41 1HB ALA 41 11.923 7.711 1.314
159 2HB ALA 41 2HB ALA 41 12.519 6.506 2.457
160 3HB ALA 41 3HB ALA 41 12.947 8.202 2.662
161 H GLN 42 H GLN 42 11.370 5.926 4.922
162 HA GLN 42 HA GLN 42 9.943 3.796 3.708
163 1HB GLN 42 1HB GLN 42 10.795 4.097 6.595
164 2HB GLN 42 2HB GLN 42 10.415 2.595 5.775
165 1HG GLN 42 1HG GLN 42 12.425 2.456 4.817
166 2HG GLN 42 2HG GLN 42 12.460 4.182 4.439
167 1HE2 GLN 42 1HE2 GLN 42 14.745 3.878 5.061
168 2HE2 GLN 42 2HE2 GLN 42 15.167 4.025 6.729
169 H ASP 43 H ASP 43 9.188 6.109 6.278
170 HA ASP 43 HA ASP 43 6.677 5.043 7.009
171 1HB ASP 43 1HB ASP 43 8.174 7.018 8.020
172 2HB ASP 43 2HB ASP 43 7.104 8.003 7.027
173 H ILE 44 H ILE 44 7.776 7.270 4.565
174 HA ILE 44 HA ILE 44 5.262 8.020 3.482
175 HB ILE 44 HB ILE 44 8.068 7.955 2.342
176 1HG1 ILE 44 1HG1 ILE 44 6.214 10.165 3.258
177 2HG1 ILE 44 2HG1 ILE 44 7.673 9.621 4.066
178 1HG2 ILE 44 1HG2 ILE 44 5.697 9.268 0.992
179 2HG2 ILE 44 2HG2 ILE 44 6.281 7.667 0.547
180 3HG2 ILE 44 3HG2 ILE 44 7.332 9.066 0.366
181 1HD1 ILE 44 1HD1 ILE 44 8.635 10.284 1.618
182 2HD1 ILE 44 2HD1 ILE 44 8.623 11.351 3.023
183 3HD1 ILE 44 3HD1 ILE 44 7.338 11.455 1.826
184 H TYR 45 H TYR 45 7.721 5.715 2.479
185 HA TYR 45 HA TYR 45 6.451 4.517 0.351
186 1HB TYR 45 1HB TYR 45 8.817 4.172 1.048
187 2HB TYR 45 2HB TYR 45 8.232 3.148 2.348
188 HD1 TYR 45 HD1 TYR 45 6.599 1.206 1.524
189 HD2 TYR 45 HD2 TYR 45 9.522 3.143 -0.874
190 HE1 TYR 45 HE1 TYR 45 6.623 -0.731 0.010
191 HE2 TYR 45 HE2 TYR 45 9.557 1.209 -2.400
192 HH TYR 45 HH TYR 45 7.209 -1.228 -2.333
193 H LYS 46 H LYS 46 6.645 3.110 3.621
194 HA LYS 46 HA LYS 46 4.806 1.092 3.273
195 1HB LYS 46 1HB LYS 46 6.204 1.117 5.205
196 2HB LYS 46 2HB LYS 46 5.559 2.664 5.733
197 1HG LYS 46 1HG LYS 46 3.401 1.625 6.162
198 2HG LYS 46 2HG LYS 46 4.032 0.072 5.615
199 1HD LYS 46 1HD LYS 46 5.226 -0.262 7.515
200 2HD LYS 46 2HD LYS 46 5.563 1.458 7.732
201 1HE LYS 46 1HE LYS 46 2.877 0.176 8.205
202 2HE LYS 46 2HE LYS 46 4.070 0.477 9.470
203 1HZ LYS 46 1HZ LYS 46 2.135 2.201 8.722
204 2HZ LYS 46 2HZ LYS 46 3.468 2.789 7.863
205 3HZ LYS 46 3HZ LYS 46 3.552 2.632 9.544
206 H GLU 47 H GLU 47 4.161 4.332 4.649
207 HA GLU 47 HA GLU 47 1.425 3.978 5.067
208 1HB GLU 47 1HB GLU 47 3.007 6.463 4.477
209 2HB GLU 47 2HB GLU 47 1.298 6.483 4.877
210 1HG GLU 47 1HG GLU 47 2.775 4.936 6.794
211 2HG GLU 47 2HG GLU 47 3.441 6.563 6.641
212 H ALA 48 H ALA 48 3.170 5.004 2.204
213 HA ALA 48 HA ALA 48 0.820 5.631 0.708
214 1HB ALA 48 1HB ALA 48 3.706 5.268 0.007
215 2HB ALA 48 2HB ALA 48 2.720 6.727 -0.065
216 3HB ALA 48 3HB ALA 48 2.483 5.446 -1.253
217 H PHE 49 H PHE 49 2.927 2.849 1.047
218 HA PHE 49 HA PHE 49 1.811 1.229 -0.957
219 1HB PHE 49 1HB PHE 49 3.931 0.662 0.094
220 2HB PHE 49 2HB PHE 49 3.149 0.487 1.651
221 HD1 PHE 49 HD1 PHE 49 1.196 -1.338 1.678
222 HD2 PHE 49 HD2 PHE 49 4.383 -1.192 -1.141
223 HE1 PHE 49 HE1 PHE 49 0.847 -3.720 1.162
224 HE2 PHE 49 HE2 PHE 49 4.030 -3.568 -1.655
225 HZ PHE 49 HZ PHE 49 2.254 -4.833 -0.520
226 H ASN 50 H ASN 50 1.153 1.370 2.542
227 HA ASN 50 HA ASN 50 -0.851 -0.514 2.711
228 1HB ASN 50 1HB ASN 50 -0.711 2.092 4.238
229 2HB ASN 50 2HB ASN 50 -1.569 0.638 4.734
230 1HD2 ASN 50 1HD2 ASN 50 0.243 -1.317 4.173
231 2HD2 ASN 50 2HD2 ASN 50 1.648 -1.120 5.159
232 H SER 51 H SER 51 -1.168 2.946 1.966
233 HA SER 51 HA SER 51 -3.951 3.066 1.809
234 1HB SER 51 1HB SER 51 -2.120 4.946 1.618
235 2HB SER 51 2HB SER 51 -2.254 4.630 -0.112
236 HG SER 51 HG SER 51 -3.752 6.163 0.277
237 H ALA 52 H ALA 52 -1.566 2.352 -0.721
238 HA ALA 52 HA ALA 52 -3.479 1.913 -2.775
239 1HB ALA 52 1HB ALA 52 -1.363 2.309 -3.615
240 2HB ALA 52 2HB ALA 52 -1.490 0.557 -3.776
241 3HB ALA 52 3HB ALA 52 -0.582 1.257 -2.435
242 H TRP 53 H TRP 53 -2.124 -0.019 -0.228
243 HA TRP 53 HA TRP 53 -2.908 -2.574 -1.177
244 1HB TRP 53 1HB TRP 53 -1.245 -2.544 0.508
245 2HB TRP 53 2HB TRP 53 -2.169 -1.455 1.529
246 HD1 TRP 53 HD1 TRP 53 -1.638 -5.108 0.780
247 HE1 TRP 53 HE1 TRP 53 -2.968 -6.529 2.455
248 HE3 TRP 53 HE3 TRP 53 -4.393 -1.413 2.971
249 HZ2 TRP 53 HZ2 TRP 53 -4.927 -6.142 4.444
250 HZ3 TRP 53 HZ3 TRP 53 -5.976 -2.019 4.755
251 HH2 TRP 53 HH2 TRP 53 -6.234 -4.336 5.476
252 H ASP 54 H ASP 54 -4.360 -0.349 1.214
253 HA ASP 54 HA ASP 54 -6.732 -1.891 1.537
254 1HB ASP 54 1HB ASP 54 -5.684 -0.060 3.094
255 2HB ASP 54 2HB ASP 54 -6.612 1.060 2.100
256 H GLN 55 H GLN 55 -5.759 0.732 -0.563
257 HA GLN 55 HA GLN 55 -8.337 1.368 -1.538
258 1HB GLN 55 1HB GLN 55 -5.549 1.850 -2.538
259 2HB GLN 55 2HB GLN 55 -6.937 2.261 -3.538
260 1HG GLN 55 1HG GLN 55 -7.751 3.554 -1.467
261 2HG GLN 55 2HG GLN 55 -6.083 3.438 -0.931
262 1HE2 GLN 55 1HE2 GLN 55 -4.633 4.826 -1.701
263 2HE2 GLN 55 2HE2 GLN 55 -4.923 5.970 -2.965
264 H TYR 56 H TYR 56 -6.062 -1.092 -2.189
265 HA TYR 56 HA TYR 56 -7.052 -1.918 -4.725
266 1HB TYR 56 1HB TYR 56 -4.849 -2.531 -3.163
267 2HB TYR 56 2HB TYR 56 -5.794 -4.014 -3.122
268 HD1 TYR 56 HD1 TYR 56 -4.414 -1.511 -5.501
269 HD2 TYR 56 HD2 TYR 56 -5.652 -5.519 -4.846
270 HE1 TYR 56 HE1 TYR 56 -3.562 -2.130 -7.717
271 HE2 TYR 56 HE2 TYR 56 -4.807 -6.148 -7.057
272 HH TYR 56 HH TYR 56 -3.966 -3.897 -9.423
273 H LYS 57 H LYS 57 -9.332 -1.594 -3.516
274 HA LYS 57 HA LYS 57 -10.248 -3.887 -2.074
275 1HB LYS 57 1HB LYS 57 -11.161 -1.278 -2.520
276 2HB LYS 57 2HB LYS 57 -12.381 -2.324 -3.234
277 1HG LYS 57 1HG LYS 57 -11.355 -2.525 -0.407
278 2HG LYS 57 2HG LYS 57 -12.867 -1.756 -0.896
279 1HD LYS 57 1HD LYS 57 -13.265 -4.118 -2.034
280 2HD LYS 57 2HD LYS 57 -12.144 -4.638 -0.776
281 1HE LYS 57 1HE LYS 57 -14.767 -3.206 -0.400
282 2HE LYS 57 2HE LYS 57 -14.389 -4.870 0.045
283 1HZ LYS 57 1HZ LYS 57 -13.346 -2.383 1.271
284 2HZ LYS 57 2HZ LYS 57 -12.656 -3.901 1.559
285 3HZ LYS 57 3HZ LYS 57 -14.260 -3.602 2.007
286 H ASP 58 H ASP 58 -9.550 -3.394 -5.270
287 HA ASP 58 HA ASP 58 -11.714 -4.895 -6.434
288 1HB ASP 58 1HB ASP 58 -9.741 -3.146 -7.391
289 2HB ASP 58 2HB ASP 58 -9.347 -4.710 -8.098
290 H LYS 59 H LYS 59 -8.380 -5.467 -5.460
291 HA LYS 59 HA LYS 59 -8.669 -8.301 -6.194
292 1HB LYS 59 1HB LYS 59 -6.692 -6.720 -6.963
293 2HB LYS 59 2HB LYS 59 -6.058 -7.137 -5.376
294 1HG LYS 59 1HG LYS 59 -5.462 -9.169 -6.027
295 2HG LYS 59 2HG LYS 59 -7.018 -9.447 -6.804
296 1HD LYS 59 1HD LYS 59 -5.076 -7.633 -8.139
297 2HD LYS 59 2HD LYS 59 -4.795 -9.373 -8.211
298 1HE LYS 59 1HE LYS 59 -6.099 -9.177 -10.055
299 2HE LYS 59 2HE LYS 59 -7.376 -9.353 -8.853
300 1HZ LYS 59 1HZ LYS 59 -7.894 -7.522 -10.275
301 2HZ LYS 59 2HZ LYS 59 -6.378 -6.814 -10.022
302 3HZ LYS 59 3HZ LYS 59 -7.492 -6.901 -8.753
303 H GLU 60 H GLU 60 -9.935 -7.374 -3.890
304 HA GLU 60 HA GLU 60 -8.296 -7.981 -1.596
305 1HB GLU 60 1HB GLU 60 -11.108 -7.114 -2.043
306 2HB GLU 60 2HB GLU 60 -10.735 -7.930 -0.531
307 1HG GLU 60 1HG GLU 60 -8.770 -5.912 -1.088
308 2HG GLU 60 2HG GLU 60 -10.393 -5.235 -1.148
309 H ASP 61 H ASP 61 -10.961 -9.528 -3.338
310 HA ASP 61 HA ASP 61 -10.482 -11.981 -1.785
311 1HB ASP 61 1HB ASP 61 -12.873 -10.661 -2.424
312 2HB ASP 61 2HB ASP 61 -12.845 -12.091 -3.450
313 H ARG 62 H ARG 62 -8.846 -11.078 -4.003
314 HA ARG 62 HA ARG 62 -9.453 -13.110 -6.024
315 1HB ARG 62 1HB ARG 62 -7.558 -10.769 -6.143
316 2HB ARG 62 2HB ARG 62 -7.867 -11.895 -7.454
317 1HG ARG 62 1HG ARG 62 -9.950 -10.114 -6.217
318 2HG ARG 62 2HG ARG 62 -9.043 -9.732 -7.684
319 1HD ARG 62 1HD ARG 62 -10.216 -12.382 -7.792
320 2HD ARG 62 2HD ARG 62 -11.435 -11.140 -7.524
321 HE ARG 62 HE ARG 62 -9.551 -11.154 -9.793
322 1HH1 ARG 62 1HH1 ARG 62 -12.683 -10.396 -8.430
323 2HH1 ARG 62 2HH1 ARG 62 -13.317 -9.794 -9.922
324 1HH2 ARG 62 1HH2 ARG 62 -10.394 -10.360 -11.746
325 2HH2 ARG 62 2HH2 ARG 62 -12.021 -9.772 -11.800
326 H ARG 63 H ARG 63 -7.946 -14.581 -6.631
327 HA ARG 63 HA ARG 63 -6.140 -15.508 -4.650
328 1HB ARG 63 1HB ARG 63 -5.368 -17.020 -6.596
329 2HB ARG 63 2HB ARG 63 -7.023 -17.187 -6.024
330 1HG ARG 63 1HG ARG 63 -7.030 -15.219 -8.055
331 2HG ARG 63 2HG ARG 63 -6.086 -16.590 -8.644
332 1HD ARG 63 1HD ARG 63 -8.744 -17.004 -7.325
333 2HD ARG 63 2HD ARG 63 -8.643 -16.572 -9.029
334 HE ARG 63 HE ARG 63 -7.648 -19.049 -7.807
335 1HH1 ARG 63 1HH1 ARG 63 -8.395 -17.184 -10.672
336 2HH1 ARG 63 2HH1 ARG 63 -8.223 -18.534 -11.738
337 1HH2 ARG 63 1HH2 ARG 63 -7.415 -20.811 -9.216
338 2HH2 ARG 63 2HH2 ARG 63 -7.666 -20.589 -10.918
339 H ASP 64 H ASP 64 -5.892 -13.248 -7.214
340 HA ASP 64 HA ASP 64 -2.996 -13.396 -7.391
341 1HB ASP 64 1HB ASP 64 -4.314 -13.020 -9.427
342 2HB ASP 64 2HB ASP 64 -4.979 -11.545 -8.731
343 H ASP 65 H ASP 65 -3.652 -12.824 -4.828
344 HA ASP 65 HA ASP 65 -3.982 -10.140 -4.142
345 1HB ASP 65 1HB ASP 65 -3.004 -12.577 -2.775
346 2HB ASP 65 2HB ASP 65 -2.469 -11.050 -2.081
347 H ALA 66 H ALA 66 -1.166 -11.864 -5.247
348 HA ALA 66 HA ALA 66 0.879 -10.202 -4.345
349 1HB ALA 66 1HB ALA 66 0.835 -12.385 -5.913
350 2HB ALA 66 2HB ALA 66 2.235 -11.325 -5.745
351 3HB ALA 66 3HB ALA 66 1.149 -11.140 -7.122
352 H SER 67 H SER 67 -1.244 -9.879 -7.148
353 HA SER 67 HA SER 67 -0.094 -7.692 -8.409
354 1HB SER 67 1HB SER 67 -2.041 -8.969 -9.262
355 2HB SER 67 2HB SER 67 -3.056 -8.216 -8.043
356 HG SER 67 HG SER 67 -2.405 -7.280 -10.440
357 H ARG 68 H ARG 68 -2.440 -7.808 -5.781
358 HA ARG 68 HA ARG 68 -2.772 -5.066 -5.363
359 1HB ARG 68 1HB ARG 68 -4.174 -6.745 -4.247
360 2HB ARG 68 2HB ARG 68 -2.779 -7.306 -3.323
361 1HG ARG 68 1HG ARG 68 -3.547 -4.442 -3.115
362 2HG ARG 68 2HG ARG 68 -4.536 -5.646 -2.290
363 1HD ARG 68 1HD ARG 68 -1.555 -5.272 -1.956
364 2HD ARG 68 2HD ARG 68 -2.799 -4.747 -0.825
365 HE ARG 68 HE ARG 68 -3.326 -7.338 -0.932
366 1HH1 ARG 68 1HH1 ARG 68 -0.268 -5.687 -0.621
367 2HH1 ARG 68 2HH1 ARG 68 0.501 -6.999 0.200
368 1HH2 ARG 68 1HH2 ARG 68 -2.322 -9.060 0.172
369 2HH2 ARG 68 2HH2 ARG 68 -0.664 -8.909 0.661
370 H GLU 69 H GLU 69 -0.691 -7.247 -3.470
371 HA GLU 69 HA GLU 69 0.781 -5.387 -2.096
372 1HB GLU 69 1HB GLU 69 0.936 -7.818 -1.754
373 2HB GLU 69 2HB GLU 69 1.781 -7.990 -3.288
374 1HG GLU 69 1HG GLU 69 3.673 -6.823 -2.445
375 2HG GLU 69 2HG GLU 69 2.796 -6.346 -0.998
376 H GLU 70 H GLU 70 1.399 -6.703 -5.325
377 HA GLU 70 HA GLU 70 3.747 -5.362 -5.926
378 1HB GLU 70 1HB GLU 70 2.337 -7.155 -7.249
379 2HB GLU 70 2HB GLU 70 1.651 -5.738 -8.032
380 1HG GLU 70 1HG GLU 70 3.460 -6.575 -9.359
381 2HG GLU 70 2HG GLU 70 3.929 -5.026 -8.659
382 H THR 71 H THR 71 0.444 -4.377 -6.914
383 HA THR 71 HA THR 71 1.091 -1.901 -7.941
384 HB THR 71 HB THR 71 -1.398 -2.689 -6.430
385 HG1 THR 71 HG1 THR 71 -0.884 -3.762 -8.455
386 1HG2 THR 71 1HG2 THR 71 -2.310 -0.764 -7.983
387 2HG2 THR 71 2HG2 THR 71 -0.670 -0.151 -7.772
388 3HG2 THR 71 3HG2 THR 71 -1.691 -0.439 -6.362
389 H ALA 72 H ALA 72 0.211 -2.650 -4.567
390 HA ALA 72 HA ALA 72 0.412 -0.095 -3.539
391 1HB ALA 72 1HB ALA 72 -0.151 -1.233 -1.712
392 2HB ALA 72 2HB ALA 72 1.503 -1.811 -1.592
393 3HB ALA 72 3HB ALA 72 0.311 -2.751 -2.479
394 H HIS 73 H HIS 73 2.941 -2.503 -4.089
395 HA HIS 73 HA HIS 73 5.143 -1.122 -3.055
396 1HB HIS 73 1HB HIS 73 4.827 -3.129 -5.272
397 2HB HIS 73 2HB HIS 73 6.373 -2.327 -5.060
398 HD2 HIS 73 HD2 HIS 73 4.313 -5.202 -3.531
399 HE1 HIS 73 HE1 HIS 73 7.838 -4.753 -1.209
400 HE2 HIS 73 HE2 HIS 73 5.769 -6.133 -1.607
401 H LYS 74 H LYS 74 3.729 -1.085 -6.307
402 HA LYS 74 HA LYS 74 5.403 0.796 -7.494
403 1HB LYS 74 1HB LYS 74 2.552 -0.016 -8.000
404 2HB LYS 74 2HB LYS 74 3.346 1.209 -8.981
405 1HG LYS 74 1HG LYS 74 4.163 -0.392 -10.254
406 2HG LYS 74 2HG LYS 74 5.103 -0.980 -8.885
407 1HD LYS 74 1HD LYS 74 3.921 -2.869 -9.392
408 2HD LYS 74 2HD LYS 74 2.811 -2.116 -8.253
409 1HE LYS 74 1HE LYS 74 2.663 -2.039 -11.260
410 2HE LYS 74 2HE LYS 74 1.567 -2.878 -10.166
411 1HZ LYS 74 1HZ LYS 74 1.928 0.069 -10.218
412 2HZ LYS 74 2HZ LYS 74 0.772 -0.796 -9.340
413 3HZ LYS 74 3HZ LYS 74 0.689 -0.751 -11.027
414 H VAL 75 H VAL 75 2.406 1.210 -5.702
415 HA VAL 75 HA VAL 75 2.166 3.989 -6.122
416 HB VAL 75 HB VAL 75 1.076 2.347 -3.837
417 1HG1 VAL 75 1HG1 VAL 75 0.543 4.394 -3.061
418 2HG1 VAL 75 2HG1 VAL 75 -0.712 4.340 -4.298
419 3HG1 VAL 75 3HG1 VAL 75 0.812 5.166 -4.625
420 1HG2 VAL 75 1HG2 VAL 75 0.048 1.315 -5.560
421 2HG2 VAL 75 2HG2 VAL 75 0.345 2.653 -6.670
422 3HG2 VAL 75 3HG2 VAL 75 -0.992 2.742 -5.520
423 H ALA 76 H ALA 76 3.206 2.211 -3.206
424 HA ALA 76 HA ALA 76 3.973 4.306 -1.633
425 1HB ALA 76 1HB ALA 76 5.046 1.532 -1.891
426 2HB ALA 76 2HB ALA 76 4.069 2.245 -0.604
427 3HB ALA 76 3HB ALA 76 5.771 2.676 -0.759
428 H TRP 77 H TRP 77 5.903 2.732 -4.128
429 HA TRP 77 HA TRP 77 8.258 4.229 -3.757
430 1HB TRP 77 1HB TRP 77 7.117 2.595 -5.956
431 2HB TRP 77 2HB TRP 77 8.366 3.749 -6.403
432 HD1 TRP 77 HD1 TRP 77 7.944 0.350 -5.164
433 HE1 TRP 77 HE1 TRP 77 10.179 -0.637 -4.351
434 HE3 TRP 77 HE3 TRP 77 10.663 4.649 -4.964
435 HZ2 TRP 77 HZ2 TRP 77 12.765 0.305 -3.702
436 HZ3 TRP 77 HZ3 TRP 77 13.008 4.532 -4.230
437 HH2 TRP 77 HH2 TRP 77 14.037 2.406 -3.612
438 H ALA 78 H ALA 78 5.403 4.780 -5.789
439 HA ALA 78 HA ALA 78 6.171 7.059 -7.134
440 1HB ALA 78 1HB ALA 78 3.701 5.742 -6.533
441 2HB ALA 78 2HB ALA 78 4.090 6.812 -7.880
442 3HB ALA 78 3HB ALA 78 3.489 7.485 -6.365
443 H ALA 79 H ALA 79 4.785 6.808 -3.872
444 HA ALA 79 HA ALA 79 4.786 9.564 -3.278
445 1HB ALA 79 1HB ALA 79 4.508 7.035 -1.773
446 2HB ALA 79 2HB ALA 79 3.505 8.487 -1.749
447 3HB ALA 79 3HB ALA 79 5.021 8.448 -0.852
448 H VAL 80 H VAL 80 7.086 6.954 -2.743
449 HA VAL 80 HA VAL 80 9.033 8.414 -1.376
450 HB VAL 80 HB VAL 80 9.266 5.946 -3.114
451 1HG1 VAL 80 1HG1 VAL 80 11.359 7.578 -2.366
452 2HG1 VAL 80 2HG1 VAL 80 11.475 5.869 -2.771
453 3HG1 VAL 80 3HG1 VAL 80 11.318 6.370 -1.086
454 1HG2 VAL 80 1HG2 VAL 80 9.565 5.931 -0.164
455 2HG2 VAL 80 2HG2 VAL 80 8.834 4.741 -1.240
456 3HG2 VAL 80 3HG2 VAL 80 7.944 6.197 -0.805
457 H LYS 81 H LYS 81 8.815 7.618 -4.875
458 HA LYS 81 HA LYS 81 11.062 9.108 -5.646
459 1HB LYS 81 1HB LYS 81 8.592 8.519 -7.286
460 2HB LYS 81 2HB LYS 81 10.181 8.938 -7.905
461 1HG LYS 81 1HG LYS 81 11.028 6.844 -6.766
462 2HG LYS 81 2HG LYS 81 9.337 6.410 -6.527
463 1HD LYS 81 1HD LYS 81 9.012 6.638 -8.997
464 2HD LYS 81 2HD LYS 81 10.756 6.855 -9.151
465 1HE LYS 81 1HE LYS 81 11.099 4.654 -8.101
466 2HE LYS 81 2HE LYS 81 9.352 4.440 -8.005
467 1HZ LYS 81 1HZ LYS 81 9.331 3.702 -10.078
468 2HZ LYS 81 2HZ LYS 81 11.019 3.792 -10.122
469 3HZ LYS 81 3HZ LYS 81 10.089 5.103 -10.649
470 H HIS 82 H HIS 82 8.021 10.140 -4.568
471 HA HIS 82 HA HIS 82 8.019 12.667 -5.986
472 1HB HIS 82 1HB HIS 82 6.002 11.169 -5.000
473 2HB HIS 82 2HB HIS 82 6.238 12.270 -3.647
474 HD2 HIS 82 HD2 HIS 82 4.955 14.642 -3.929
475 HE1 HIS 82 HE1 HIS 82 4.206 14.400 -8.100
476 HE2 HIS 82 HE2 HIS 82 3.745 15.671 -5.973
477 H GLU 83 H GLU 83 8.354 11.553 -2.641
478 HA GLU 83 HA GLU 83 9.292 14.186 -1.799
479 1HB GLU 83 1HB GLU 83 9.092 11.858 0.056
480 2HB GLU 83 2HB GLU 83 8.785 13.560 0.361
481 1HG GLU 83 1HG GLU 83 6.847 12.997 -1.435
482 2HG GLU 83 2HG GLU 83 6.978 11.455 -0.595
483 H TYR 84 H TYR 84 10.564 11.282 -2.874
484 HA TYR 84 HA TYR 84 13.217 11.987 -1.837
485 1HB TYR 84 1HB TYR 84 11.879 9.294 -1.785
486 2HB TYR 84 2HB TYR 84 13.629 9.449 -1.728
487 HD1 TYR 84 HD1 TYR 84 14.736 10.161 0.259
488 HD2 TYR 84 HD2 TYR 84 10.491 10.206 0.053
489 HE1 TYR 84 HE1 TYR 84 14.627 10.548 2.684
490 HE2 TYR 84 HE2 TYR 84 10.378 10.590 2.482
491 HH TYR 84 HH TYR 84 13.128 10.297 4.517
492 H ALA 85 H ALA 85 14.952 11.575 -3.146
493 HA ALA 85 HA ALA 85 14.342 10.712 -5.901
494 1HB ALA 85 1HB ALA 85 15.874 13.076 -4.926
495 2HB ALA 85 2HB ALA 85 14.716 12.949 -6.251
496 3HB ALA 85 3HB ALA 85 16.347 12.309 -6.442
497 H LYS 86 H LYS 86 15.928 9.535 -7.003
498 HA LYS 86 HA LYS 86 17.862 8.202 -5.264
499 1HB LYS 86 1HB LYS 86 16.282 6.998 -6.942
500 2HB LYS 86 2HB LYS 86 17.418 7.545 -8.166
501 1HG LYS 86 1HG LYS 86 19.213 6.326 -7.087
502 2HG LYS 86 2HG LYS 86 18.128 5.850 -5.779
503 1HD LYS 86 1HD LYS 86 18.024 3.975 -7.088
504 2HD LYS 86 2HD LYS 86 16.688 4.904 -7.771
505 1HE LYS 86 1HE LYS 86 18.822 5.808 -9.222
506 2HE LYS 86 2HE LYS 86 19.241 4.116 -8.965
507 1HZ LYS 86 1HZ LYS 86 17.134 5.271 -10.577
508 2HZ LYS 86 2HZ LYS 86 16.666 3.926 -9.663
509 3HZ LYS 86 3HZ LYS 86 17.952 3.801 -10.754
510 H GLY 87 H GLY 87 19.982 8.764 -5.274
511 1HA GLY 87 1HA GLY 87 20.839 10.875 -7.035
512 2HA GLY 87 2HA GLY 87 21.803 10.098 -5.788
513 H ASP 88 H ASP 88 23.492 10.286 -7.550
514 HA ASP 88 HA ASP 88 23.266 8.763 -9.899
515 1HB ASP 88 1HB ASP 88 25.779 8.982 -9.951
516 2HB ASP 88 2HB ASP 88 24.896 10.500 -9.816
517 H ASP 89 H ASP 89 22.627 7.256 -7.336
518 HA ASP 89 HA ASP 89 24.179 4.902 -8.017
519 1HB ASP 89 1HB ASP 89 23.792 5.741 -5.136
520 2HB ASP 89 2HB ASP 89 24.750 4.394 -5.743
521 H ASP 90 H ASP 90 23.070 3.321 -5.922
522 HA ASP 90 HA ASP 90 20.272 3.308 -6.808
523 1HB ASP 90 1HB ASP 90 22.194 1.193 -5.997
524 2HB ASP 90 2HB ASP 90 20.515 0.941 -5.534
525 H LYS 91 H LYS 91 21.029 5.185 -4.927
526 HA LYS 91 HA LYS 91 19.531 4.272 -2.574
527 1HB LYS 91 1HB LYS 91 22.139 5.633 -2.751
528 2HB LYS 91 2HB LYS 91 21.052 6.228 -1.521
529 1HG LYS 91 1HG LYS 91 20.929 4.064 -0.503
530 2HG LYS 91 2HG LYS 91 21.822 3.347 -1.846
531 1HD LYS 91 1HD LYS 91 23.068 5.571 -0.285
532 2HD LYS 91 2HD LYS 91 23.040 3.928 0.404
533 1HE LYS 91 1HE LYS 91 23.874 3.522 -2.196
534 2HE LYS 91 2HE LYS 91 24.661 5.039 -1.757
535 1HZ LYS 91 1HZ LYS 91 24.772 2.688 0.029
536 2HZ LYS 91 2HZ LYS 91 25.800 4.031 -0.018
537 3HZ LYS 91 3HZ LYS 91 25.870 2.869 -1.245
538 H TRP 92 H TRP 92 18.403 6.038 -1.447
539 HA TRP 92 HA TRP 92 17.755 8.223 -3.302
540 1HB TRP 92 1HB TRP 92 15.852 6.777 -1.464
541 2HB TRP 92 2HB TRP 92 15.435 8.123 -2.523
542 HD1 TRP 92 HD1 TRP 92 17.050 4.618 -2.984
543 HE1 TRP 92 HE1 TRP 92 16.093 3.584 -5.136
544 HE3 TRP 92 HE3 TRP 92 14.040 8.474 -4.460
545 HZ2 TRP 92 HZ2 TRP 92 14.301 4.311 -7.193
546 HZ3 TRP 92 HZ3 TRP 92 12.739 8.226 -6.534
547 HH2 TRP 92 HH2 TRP 92 12.868 6.186 -7.871
548 H HIS 93 H HIS 93 16.846 10.149 -2.379
549 HA HIS 93 HA HIS 93 17.360 10.668 0.447
550 1HB HIS 93 1HB HIS 93 18.527 12.823 -0.180
551 2HB HIS 93 2HB HIS 93 19.452 11.357 -0.498
552 HD2 HIS 93 HD2 HIS 93 19.269 10.570 -3.355
553 HE1 HIS 93 HE1 HIS 93 18.773 14.614 -4.543
554 HE2 HIS 93 HE2 HIS 93 19.240 12.260 -5.314
555 H LYS 94 H LYS 94 15.917 12.189 1.296
556 HA LYS 94 HA LYS 94 13.535 12.592 -0.079
557 1HB LYS 94 1HB LYS 94 13.991 12.824 2.454
558 2HB LYS 94 2HB LYS 94 14.349 14.504 2.071
559 1HG LYS 94 1HG LYS 94 12.115 14.653 0.963
560 2HG LYS 94 2HG LYS 94 11.763 13.041 1.584
561 1HD LYS 94 1HD LYS 94 12.208 13.924 3.887
562 2HD LYS 94 2HD LYS 94 12.317 15.538 3.181
563 1HE LYS 94 1HE LYS 94 10.052 15.492 2.494
564 2HE LYS 94 2HE LYS 94 9.915 13.763 2.805
565 1HZ LYS 94 1HZ LYS 94 10.517 14.525 5.222
566 2HZ LYS 94 2HZ LYS 94 8.924 14.609 4.660
567 3HZ LYS 94 3HZ LYS 94 9.881 16.002 4.698
568 H LYS 95 H LYS 95 12.915 13.816 -1.588
569 HA LYS 95 HA LYS 95 14.546 15.926 -2.621
570 1HB LYS 95 1HB LYS 95 12.089 14.485 -3.457
571 2HB LYS 95 2HB LYS 95 12.392 16.076 -4.127
572 1HG LYS 95 1HG LYS 95 14.595 14.111 -4.175
573 2HG LYS 95 2HG LYS 95 13.260 13.901 -5.308
574 1HD LYS 95 1HD LYS 95 14.331 16.634 -5.112
575 2HD LYS 95 2HD LYS 95 15.441 15.436 -5.781
576 1HE LYS 95 1HE LYS 95 13.486 14.743 -7.285
577 2HE LYS 95 2HE LYS 95 12.740 16.263 -6.796
578 1HZ LYS 95 1HZ LYS 95 15.418 16.037 -8.055
579 2HZ LYS 95 2HZ LYS 95 14.590 17.466 -7.697
580 3HZ LYS 95 3HZ LYS 95 13.999 16.423 -8.889
581 H SER 96 H SER 96 11.055 16.005 -2.293
582 HA SER 96 HA SER 96 10.914 18.754 -1.761
583 1HB SER 96 1HB SER 96 9.006 16.482 -1.688
584 2HB SER 96 2HB SER 96 8.551 17.917 -0.768
585 HG SER 96 HG SER 96 8.259 17.561 -3.325
Start of MODEL 7
1 HA PRO 22 HA PRO 22 2.779 -7.465 4.739
2 1HB PRO 22 1HB PRO 22 3.894 -5.522 2.838
3 2HB PRO 22 2HB PRO 22 3.693 -7.268 2.669
4 1HG PRO 22 1HG PRO 22 2.171 -5.542 1.298
5 2HG PRO 22 2HG PRO 22 1.531 -7.082 1.897
6 1HD PRO 22 1HD PRO 22 1.194 -4.334 3.040
7 2HD PRO 22 2HD PRO 22 0.002 -5.634 2.846
8 H TYR 23 H TYR 23 2.445 -4.044 5.176
9 HA TYR 23 HA TYR 23 4.991 -3.974 6.662
10 1HB TYR 23 1HB TYR 23 3.549 -1.643 5.383
11 2HB TYR 23 2HB TYR 23 5.129 -1.606 6.167
12 HD1 TYR 23 HD1 TYR 23 4.159 -0.951 3.202
13 HD2 TYR 23 HD2 TYR 23 6.206 -4.195 5.046
14 HE1 TYR 23 HE1 TYR 23 5.221 -1.495 1.061
15 HE2 TYR 23 HE2 TYR 23 7.271 -4.747 2.907
16 HH TYR 23 HH TYR 23 7.382 -2.695 0.318
17 H LYS 24 H LYS 24 4.977 -3.207 8.754
18 HA LYS 24 HA LYS 24 2.316 -2.588 9.849
19 1HB LYS 24 1HB LYS 24 4.063 -4.656 10.514
20 2HB LYS 24 2HB LYS 24 4.212 -3.503 11.830
21 1HG LYS 24 1HG LYS 24 2.488 -5.304 12.137
22 2HG LYS 24 2HG LYS 24 1.914 -3.651 12.354
23 1HD LYS 24 1HD LYS 24 1.643 -4.472 9.601
24 2HD LYS 24 2HD LYS 24 0.842 -5.619 10.677
25 1HE LYS 24 1HE LYS 24 -0.812 -4.190 11.106
26 2HE LYS 24 2HE LYS 24 0.316 -2.880 11.451
27 1HZ LYS 24 1HZ LYS 24 0.423 -2.326 9.161
28 2HZ LYS 24 2HZ LYS 24 -1.217 -2.473 9.551
29 3HZ LYS 24 3HZ LYS 24 -0.436 -3.711 8.704
30 H THR 25 H THR 25 5.796 -1.849 10.213
31 HA THR 25 HA THR 25 4.973 0.689 11.452
32 HB THR 25 HB THR 25 6.795 0.610 12.965
33 HG1 THR 25 HG1 THR 25 7.761 -1.810 11.910
34 1HG2 THR 25 1HG2 THR 25 6.370 -2.245 13.264
35 2HG2 THR 25 2HG2 THR 25 4.869 -1.338 13.087
36 3HG2 THR 25 3HG2 THR 25 6.006 -0.919 14.370
37 H LYS 26 H LYS 26 7.775 -0.907 9.945
38 HA LYS 26 HA LYS 26 7.983 0.718 7.714
39 1HB LYS 26 1HB LYS 26 8.837 2.082 10.066
40 2HB LYS 26 2HB LYS 26 10.260 1.742 9.098
41 1HG LYS 26 1HG LYS 26 9.404 2.940 7.265
42 2HG LYS 26 2HG LYS 26 7.793 3.022 7.966
43 1HD LYS 26 1HD LYS 26 10.173 4.252 9.319
44 2HD LYS 26 2HD LYS 26 9.250 5.123 8.096
45 1HE LYS 26 1HE LYS 26 7.970 5.785 9.813
46 2HE LYS 26 2HE LYS 26 7.272 4.171 9.711
47 1HZ LYS 26 1HZ LYS 26 8.085 3.671 11.694
48 2HZ LYS 26 2HZ LYS 26 8.571 5.282 11.870
49 3HZ LYS 26 3HZ LYS 26 9.652 4.137 11.255
50 H SER 27 H SER 27 9.990 -0.771 10.248
51 HA SER 27 HA SER 27 12.118 -1.564 8.638
52 1HB SER 27 1HB SER 27 11.134 -3.280 10.903
53 2HB SER 27 2HB SER 27 12.794 -2.943 10.412
54 HG SER 27 HG SER 27 12.780 -1.238 11.640
55 H ASP 28 H ASP 28 8.895 -2.752 8.788
56 HA ASP 28 HA ASP 28 9.375 -5.374 7.791
57 1HB ASP 28 1HB ASP 28 6.945 -3.629 8.038
58 2HB ASP 28 2HB ASP 28 6.866 -5.160 7.169
59 H LEU 29 H LEU 29 9.665 -2.369 6.328
60 HA LEU 29 HA LEU 29 8.612 -2.845 3.772
61 1HB LEU 29 1HB LEU 29 10.848 -1.064 4.710
62 2HB LEU 29 2HB LEU 29 10.249 -1.065 3.062
63 HG LEU 29 HG LEU 29 8.637 -0.368 5.518
64 1HD1 LEU 29 1HD1 LEU 29 9.181 1.550 3.332
65 2HD1 LEU 29 2HD1 LEU 29 10.486 1.205 4.468
66 3HD1 LEU 29 3HD1 LEU 29 8.938 1.825 5.058
67 1HD2 LEU 29 1HD2 LEU 29 6.904 -0.943 4.240
68 2HD2 LEU 29 2HD2 LEU 29 7.882 -1.019 2.776
69 3HD2 LEU 29 3HD2 LEU 29 7.257 0.529 3.341
70 HA PRO 30 HA PRO 30 11.444 -5.492 1.726
71 1HB PRO 30 1HB PRO 30 11.768 -3.572 -0.484
72 2HB PRO 30 2HB PRO 30 11.072 -5.185 -0.501
73 1HG PRO 30 1HG PRO 30 9.532 -3.031 -0.753
74 2HG PRO 30 2HG PRO 30 9.007 -4.431 0.183
75 1HD PRO 30 1HD PRO 30 10.156 -1.850 1.167
76 2HD PRO 30 2HD PRO 30 8.754 -2.759 1.765
77 H GLU 31 H GLU 31 13.530 -5.937 1.869
78 HA GLU 31 HA GLU 31 15.419 -4.314 3.005
79 1HB GLU 31 1HB GLU 31 17.127 -5.859 2.067
80 2HB GLU 31 2HB GLU 31 15.767 -6.693 2.806
81 1HG GLU 31 1HG GLU 31 14.833 -6.727 0.373
82 2HG GLU 31 2HG GLU 31 16.522 -6.478 -0.066
83 H SER 32 H SER 32 15.052 -4.898 -0.507
84 HA SER 32 HA SER 32 17.059 -3.131 -1.349
85 1HB SER 32 1HB SER 32 15.713 -3.042 -3.498
86 2HB SER 32 2HB SER 32 16.194 -4.649 -2.958
87 HG SER 32 HG SER 32 14.140 -5.065 -2.331
88 H VAL 33 H VAL 33 14.076 -2.483 0.110
89 HA VAL 33 HA VAL 33 13.851 0.202 -1.002
90 HB VAL 33 HB VAL 33 12.091 -1.291 0.961
91 1HG1 VAL 33 1HG1 VAL 33 10.532 0.517 0.830
92 2HG1 VAL 33 2HG1 VAL 33 11.540 1.364 -0.341
93 3HG1 VAL 33 3HG1 VAL 33 12.094 1.173 1.323
94 1HG2 VAL 33 1HG2 VAL 33 12.212 -1.908 -1.557
95 2HG2 VAL 33 2HG2 VAL 33 11.289 -0.424 -1.781
96 3HG2 VAL 33 3HG2 VAL 33 10.643 -1.721 -0.781
97 H LYS 34 H LYS 34 14.056 -1.348 2.190
98 HA LYS 34 HA LYS 34 14.550 1.004 3.664
99 1HB LYS 34 1HB LYS 34 15.265 -1.877 4.248
100 2HB LYS 34 2HB LYS 34 15.341 -0.570 5.424
101 1HG LYS 34 1HG LYS 34 12.927 -0.228 5.183
102 2HG LYS 34 2HG LYS 34 12.864 -1.558 4.026
103 1HD LYS 34 1HD LYS 34 13.677 -1.727 6.927
104 2HD LYS 34 2HD LYS 34 12.183 -2.341 6.214
105 1HE LYS 34 1HE LYS 34 13.408 -3.959 4.921
106 2HE LYS 34 2HE LYS 34 14.946 -3.271 5.433
107 1HZ LYS 34 1HZ LYS 34 13.439 -5.268 6.687
108 2HZ LYS 34 2HZ LYS 34 13.482 -3.931 7.723
109 3HZ LYS 34 3HZ LYS 34 14.926 -4.617 7.169
110 H HIS 35 H HIS 35 16.683 -1.215 1.950
111 HA HIS 35 HA HIS 35 19.103 -0.117 3.088
112 1HB HIS 35 1HB HIS 35 18.411 -2.471 1.678
113 2HB HIS 35 2HB HIS 35 19.630 -1.638 0.730
114 HD2 HIS 35 HD2 HIS 35 19.693 -4.299 3.176
115 HE1 HIS 35 HE1 HIS 35 23.069 -1.959 4.241
116 HE2 HIS 35 HE2 HIS 35 21.849 -4.137 4.594
117 H VAL 36 H VAL 36 17.261 1.612 1.555
118 HA VAL 36 HA VAL 36 19.261 2.966 -0.049
119 HB VAL 36 HB VAL 36 17.654 3.173 -1.981
120 1HG1 VAL 36 1HG1 VAL 36 18.521 0.334 -1.458
121 2HG1 VAL 36 2HG1 VAL 36 19.633 1.624 -1.919
122 3HG1 VAL 36 3HG1 VAL 36 18.341 1.135 -3.019
123 1HG2 VAL 36 1HG2 VAL 36 16.292 0.883 -0.555
124 2HG2 VAL 36 2HG2 VAL 36 15.928 1.431 -2.198
125 3HG2 VAL 36 3HG2 VAL 36 15.623 2.496 -0.826
126 H LEU 37 H LEU 37 16.068 2.779 1.398
127 HA LEU 37 HA LEU 37 15.529 5.572 1.029
128 1HB LEU 37 1HB LEU 37 14.092 3.239 2.040
129 2HB LEU 37 2HB LEU 37 13.782 4.695 2.966
130 HG LEU 37 HG LEU 37 12.580 5.644 1.310
131 1HD1 LEU 37 1HD1 LEU 37 13.076 5.027 -1.172
132 2HD1 LEU 37 2HD1 LEU 37 14.620 4.502 -0.508
133 3HD1 LEU 37 3HD1 LEU 37 14.099 6.175 -0.303
134 1HD2 LEU 37 1HD2 LEU 37 11.241 4.106 0.096
135 2HD2 LEU 37 2HD2 LEU 37 11.613 3.404 1.670
136 3HD2 LEU 37 3HD2 LEU 37 12.484 2.861 0.237
137 HA PRO 38 HA PRO 38 17.965 7.168 4.260
138 1HB PRO 38 1HB PRO 38 15.790 9.218 4.206
139 2HB PRO 38 2HB PRO 38 17.543 9.433 4.129
140 1HG PRO 38 1HG PRO 38 16.153 9.645 1.906
141 2HG PRO 38 2HG PRO 38 17.644 8.695 1.894
142 1HD PRO 38 1HD PRO 38 14.806 7.745 2.045
143 2HD PRO 38 2HD PRO 38 16.146 7.157 1.037
144 H SER 39 H SER 39 14.667 8.200 5.135
145 HA SER 39 HA SER 39 14.581 6.374 7.369
146 1HB SER 39 1HB SER 39 14.538 8.060 9.116
147 2HB SER 39 2HB SER 39 16.039 8.214 8.201
148 HG SER 39 HG SER 39 14.324 10.102 8.682
149 H HIS 40 H HIS 40 13.159 9.586 6.747
150 HA HIS 40 HA HIS 40 10.544 8.718 7.431
151 1HB HIS 40 1HB HIS 40 11.350 11.070 7.624
152 2HB HIS 40 2HB HIS 40 11.296 11.186 5.866
153 HD2 HIS 40 HD2 HIS 40 9.313 13.227 6.503
154 HE1 HIS 40 HE1 HIS 40 6.279 10.342 7.176
155 HE2 HIS 40 HE2 HIS 40 6.774 12.763 6.685
156 H ALA 41 H ALA 41 12.365 8.255 4.627
157 HA ALA 41 HA ALA 41 10.305 8.419 2.667
158 1HB ALA 41 1HB ALA 41 12.842 6.790 2.600
159 2HB ALA 41 2HB ALA 41 12.702 8.470 2.101
160 3HB ALA 41 3HB ALA 41 11.829 7.225 1.220
161 H GLN 42 H GLN 42 11.330 6.015 4.953
162 HA GLN 42 HA GLN 42 9.974 3.811 3.733
163 1HB GLN 42 1HB GLN 42 10.864 4.126 6.616
164 2HB GLN 42 2HB GLN 42 10.514 2.625 5.775
165 1HG GLN 42 1HG GLN 42 12.541 2.508 4.897
166 2HG GLN 42 2HG GLN 42 12.476 4.186 4.354
167 1HE2 GLN 42 1HE2 GLN 42 14.767 4.095 4.916
168 2HE2 GLN 42 2HE2 GLN 42 15.239 4.410 6.546
169 H ASP 43 H ASP 43 9.223 6.188 6.225
170 HA ASP 43 HA ASP 43 6.715 5.100 6.998
171 1HB ASP 43 1HB ASP 43 8.063 6.915 8.208
172 2HB ASP 43 2HB ASP 43 7.458 8.039 6.999
173 H ILE 44 H ILE 44 7.846 7.298 4.554
174 HA ILE 44 HA ILE 44 5.338 8.064 3.448
175 HB ILE 44 HB ILE 44 8.142 7.998 2.304
176 1HG1 ILE 44 1HG1 ILE 44 6.368 10.246 3.265
177 2HG1 ILE 44 2HG1 ILE 44 7.758 9.599 4.117
178 1HG2 ILE 44 1HG2 ILE 44 6.645 9.789 0.778
179 2HG2 ILE 44 2HG2 ILE 44 5.606 8.374 0.932
180 3HG2 ILE 44 3HG2 ILE 44 7.228 8.206 0.266
181 1HD1 ILE 44 1HD1 ILE 44 8.762 11.378 3.169
182 2HD1 ILE 44 2HD1 ILE 44 7.633 11.431 1.820
183 3HD1 ILE 44 3HD1 ILE 44 8.940 10.254 1.820
184 H TYR 45 H TYR 45 7.817 5.749 2.494
185 HA TYR 45 HA TYR 45 6.597 4.557 0.329
186 1HB TYR 45 1HB TYR 45 8.924 4.139 1.052
187 2HB TYR 45 2HB TYR 45 8.301 3.183 2.385
188 HD1 TYR 45 HD1 TYR 45 6.713 1.201 1.700
189 HD2 TYR 45 HD2 TYR 45 9.487 3.069 -0.914
190 HE1 TYR 45 HE1 TYR 45 6.675 -0.785 0.249
191 HE2 TYR 45 HE2 TYR 45 9.451 1.101 -2.369
192 HH TYR 45 HH TYR 45 7.145 -1.414 -2.020
193 H LYS 46 H LYS 46 6.600 3.313 3.660
194 HA LYS 46 HA LYS 46 4.796 1.247 3.299
195 1HB LYS 46 1HB LYS 46 6.176 1.410 5.268
196 2HB LYS 46 2HB LYS 46 5.398 2.912 5.742
197 1HG LYS 46 1HG LYS 46 3.338 1.765 6.183
198 2HG LYS 46 2HG LYS 46 4.005 0.254 5.566
199 1HD LYS 46 1HD LYS 46 5.005 -0.204 7.512
200 2HD LYS 46 2HD LYS 46 5.669 1.426 7.635
201 1HE LYS 46 1HE LYS 46 2.834 0.673 8.316
202 2HE LYS 46 2HE LYS 46 4.140 0.819 9.490
203 1HZ LYS 46 1HZ LYS 46 3.191 3.014 7.730
204 2HZ LYS 46 2HZ LYS 46 4.373 3.136 8.934
205 3HZ LYS 46 3HZ LYS 46 2.764 2.824 9.356
206 H GLU 47 H GLU 47 4.100 4.522 4.560
207 HA GLU 47 HA GLU 47 1.359 4.184 4.902
208 1HB GLU 47 1HB GLU 47 2.924 6.664 4.234
209 2HB GLU 47 2HB GLU 47 1.224 6.667 4.668
210 1HG GLU 47 1HG GLU 47 2.964 5.249 6.545
211 2HG GLU 47 2HG GLU 47 3.263 6.981 6.416
212 H ALA 48 H ALA 48 3.181 5.054 2.034
213 HA ALA 48 HA ALA 48 0.852 5.641 0.470
214 1HB ALA 48 1HB ALA 48 2.537 5.454 -1.448
215 2HB ALA 48 2HB ALA 48 3.755 5.266 -0.183
216 3HB ALA 48 3HB ALA 48 2.780 6.735 -0.260
217 H PHE 49 H PHE 49 2.944 2.885 1.004
218 HA PHE 49 HA PHE 49 1.904 1.194 -0.985
219 1HB PHE 49 1HB PHE 49 3.986 0.670 0.183
220 2HB PHE 49 2HB PHE 49 3.118 0.505 1.694
221 HD1 PHE 49 HD1 PHE 49 1.292 -1.339 1.775
222 HD2 PHE 49 HD2 PHE 49 4.349 -1.146 -1.178
223 HE1 PHE 49 HE1 PHE 49 0.933 -3.715 1.249
224 HE2 PHE 49 HE2 PHE 49 3.999 -3.520 -1.702
225 HZ PHE 49 HZ PHE 49 2.285 -4.811 -0.496
226 H ASN 50 H ASN 50 1.097 1.485 2.482
227 HA ASN 50 HA ASN 50 -0.913 -0.408 2.605
228 1HB ASN 50 1HB ASN 50 -0.128 1.958 4.177
229 2HB ASN 50 2HB ASN 50 -1.813 1.475 4.358
230 1HD2 ASN 50 1HD2 ASN 50 1.337 -0.149 4.099
231 2HD2 ASN 50 2HD2 ASN 50 1.092 -1.203 5.446
232 H SER 51 H SER 51 -1.128 3.012 1.688
233 HA SER 51 HA SER 51 -3.900 3.216 1.458
234 1HB SER 51 1HB SER 51 -2.008 5.020 1.193
235 2HB SER 51 2HB SER 51 -2.112 4.598 -0.516
236 HG SER 51 HG SER 51 -3.752 5.897 -0.556
237 H ALA 52 H ALA 52 -1.497 2.207 -0.937
238 HA ALA 52 HA ALA 52 -3.396 1.719 -3.010
239 1HB ALA 52 1HB ALA 52 -0.539 0.872 -2.607
240 2HB ALA 52 2HB ALA 52 -1.168 2.113 -3.690
241 3HB ALA 52 3HB ALA 52 -1.480 0.410 -4.025
242 H TRP 53 H TRP 53 -2.139 -0.094 -0.328
243 HA TRP 53 HA TRP 53 -2.913 -2.680 -1.199
244 1HB TRP 53 1HB TRP 53 -1.318 -2.707 0.504
245 2HB TRP 53 2HB TRP 53 -2.103 -1.423 1.405
246 HD1 TRP 53 HD1 TRP 53 -1.883 -5.166 1.134
247 HE1 TRP 53 HE1 TRP 53 -3.313 -6.260 2.962
248 HE3 TRP 53 HE3 TRP 53 -4.365 -1.022 2.812
249 HZ2 TRP 53 HZ2 TRP 53 -5.242 -5.476 4.868
250 HZ3 TRP 53 HZ3 TRP 53 -5.986 -1.281 4.645
251 HH2 TRP 53 HH2 TRP 53 -6.412 -3.463 5.653
252 H ASP 54 H ASP 54 -4.429 -0.297 1.001
253 HA ASP 54 HA ASP 54 -6.813 -1.802 1.361
254 1HB ASP 54 1HB ASP 54 -6.010 -0.035 2.939
255 2HB ASP 54 2HB ASP 54 -6.402 1.178 1.723
256 H GLN 55 H GLN 55 -5.756 0.629 -0.917
257 HA GLN 55 HA GLN 55 -8.303 1.192 -2.020
258 1HB GLN 55 1HB GLN 55 -5.487 1.639 -2.940
259 2HB GLN 55 2HB GLN 55 -6.822 1.919 -4.049
260 1HG GLN 55 1HG GLN 55 -7.739 3.328 -2.011
261 2HG GLN 55 2HG GLN 55 -6.026 3.416 -1.616
262 1HE2 GLN 55 1HE2 GLN 55 -5.037 5.120 -2.391
263 2HE2 GLN 55 2HE2 GLN 55 -5.442 5.973 -3.838
264 H TYR 56 H TYR 56 -6.062 -1.346 -2.413
265 HA TYR 56 HA TYR 56 -6.988 -2.296 -4.942
266 1HB TYR 56 1HB TYR 56 -4.827 -2.823 -3.281
267 2HB TYR 56 2HB TYR 56 -5.760 -4.313 -3.250
268 HD1 TYR 56 HD1 TYR 56 -4.245 -1.860 -5.568
269 HD2 TYR 56 HD2 TYR 56 -5.623 -5.830 -4.981
270 HE1 TYR 56 HE1 TYR 56 -3.282 -2.507 -7.727
271 HE2 TYR 56 HE2 TYR 56 -4.663 -6.495 -7.137
272 HH TYR 56 HH TYR 56 -3.409 -4.162 -9.388
273 H LYS 57 H LYS 57 -9.267 -1.894 -3.601
274 HA LYS 57 HA LYS 57 -10.193 -4.192 -2.181
275 1HB LYS 57 1HB LYS 57 -11.158 -1.565 -2.793
276 2HB LYS 57 2HB LYS 57 -12.401 -2.740 -3.203
277 1HG LYS 57 1HG LYS 57 -11.280 -3.417 -0.667
278 2HG LYS 57 2HG LYS 57 -11.734 -1.711 -0.668
279 1HD LYS 57 1HD LYS 57 -13.975 -2.370 -1.522
280 2HD LYS 57 2HD LYS 57 -13.501 -4.062 -1.345
281 1HE LYS 57 1HE LYS 57 -14.725 -3.512 0.602
282 2HE LYS 57 2HE LYS 57 -13.029 -3.549 1.079
283 1HZ LYS 57 1HZ LYS 57 -14.863 -1.292 0.913
284 2HZ LYS 57 2HZ LYS 57 -13.262 -0.995 0.456
285 3HZ LYS 57 3HZ LYS 57 -13.603 -1.586 2.004
286 H ASP 58 H ASP 58 -9.465 -3.787 -5.357
287 HA ASP 58 HA ASP 58 -11.681 -5.125 -6.581
288 1HB ASP 58 1HB ASP 58 -9.844 -3.506 -7.597
289 2HB ASP 58 2HB ASP 58 -8.980 -5.019 -7.849
290 H LYS 59 H LYS 59 -8.602 -6.046 -5.193
291 HA LYS 59 HA LYS 59 -9.335 -8.769 -4.986
292 1HB LYS 59 1HB LYS 59 -8.900 -8.539 -7.453
293 2HB LYS 59 2HB LYS 59 -7.225 -8.194 -7.044
294 1HG LYS 59 1HG LYS 59 -6.748 -10.338 -6.732
295 2HG LYS 59 2HG LYS 59 -8.205 -10.602 -5.772
296 1HD LYS 59 1HD LYS 59 -8.181 -10.399 -8.783
297 2HD LYS 59 2HD LYS 59 -8.107 -11.924 -7.904
298 1HE LYS 59 1HE LYS 59 -10.337 -11.915 -7.918
299 2HE LYS 59 2HE LYS 59 -10.254 -10.583 -6.768
300 1HZ LYS 59 1HZ LYS 59 -11.069 -10.566 -9.509
301 2HZ LYS 59 2HZ LYS 59 -9.900 -9.386 -9.192
302 3HZ LYS 59 3HZ LYS 59 -11.335 -9.414 -8.299
303 H GLU 60 H GLU 60 -8.259 -6.874 -3.220
304 HA GLU 60 HA GLU 60 -5.456 -7.184 -2.947
305 1HB GLU 60 1HB GLU 60 -5.838 -6.286 -0.605
306 2HB GLU 60 2HB GLU 60 -6.311 -5.253 -1.937
307 1HG GLU 60 1HG GLU 60 -8.478 -5.284 -1.363
308 2HG GLU 60 2HG GLU 60 -8.441 -6.978 -0.894
309 H ASP 61 H ASP 61 -8.066 -8.531 -0.910
310 HA ASP 61 HA ASP 61 -6.155 -10.601 -0.071
311 1HB ASP 61 1HB ASP 61 -7.684 -10.935 1.885
312 2HB ASP 61 2HB ASP 61 -6.932 -9.344 1.819
313 H ARG 62 H ARG 62 -7.662 -10.721 -2.531
314 HA ARG 62 HA ARG 62 -9.550 -12.876 -1.960
315 1HB ARG 62 1HB ARG 62 -9.109 -11.646 -4.665
316 2HB ARG 62 2HB ARG 62 -10.533 -12.474 -4.055
317 1HG ARG 62 1HG ARG 62 -9.538 -9.802 -3.079
318 2HG ARG 62 2HG ARG 62 -10.829 -10.035 -4.260
319 1HD ARG 62 1HD ARG 62 -11.004 -11.405 -1.611
320 2HD ARG 62 2HD ARG 62 -11.385 -9.688 -1.722
321 HE ARG 62 HE ARG 62 -12.731 -11.552 -3.535
322 1HH1 ARG 62 1HH1 ARG 62 -12.905 -9.405 -0.780
323 2HH1 ARG 62 2HH1 ARG 62 -14.633 -9.317 -0.805
324 1HH2 ARG 62 1HH2 ARG 62 -15.003 -11.436 -3.559
325 2HH2 ARG 62 2HH2 ARG 62 -15.823 -10.466 -2.382
326 H ARG 63 H ARG 63 -8.388 -13.108 -5.126
327 HA ARG 63 HA ARG 63 -6.855 -15.473 -4.371
328 1HB ARG 63 1HB ARG 63 -7.010 -15.950 -6.888
329 2HB ARG 63 2HB ARG 63 -8.478 -16.084 -5.929
330 1HG ARG 63 1HG ARG 63 -8.264 -13.418 -6.902
331 2HG ARG 63 2HG ARG 63 -8.028 -14.535 -8.244
332 1HD ARG 63 1HD ARG 63 -10.167 -15.562 -6.746
333 2HD ARG 63 2HD ARG 63 -10.443 -13.824 -6.858
334 HE ARG 63 HE ARG 63 -9.781 -14.657 -9.403
335 1HH1 ARG 63 1HH1 ARG 63 -12.276 -15.365 -7.067
336 2HH1 ARG 63 2HH1 ARG 63 -13.470 -15.734 -8.268
337 1HH2 ARG 63 1HH2 ARG 63 -11.349 -15.138 -10.984
338 2HH2 ARG 63 2HH2 ARG 63 -12.944 -15.606 -10.492
339 H ASP 64 H ASP 64 -6.580 -12.629 -6.487
340 HA ASP 64 HA ASP 64 -3.744 -13.169 -6.880
341 1HB ASP 64 1HB ASP 64 -5.272 -12.467 -8.763
342 2HB ASP 64 2HB ASP 64 -5.367 -10.884 -7.998
343 H ASP 65 H ASP 65 -3.998 -12.701 -4.305
344 HA ASP 65 HA ASP 65 -4.037 -10.071 -3.379
345 1HB ASP 65 1HB ASP 65 -2.420 -12.352 -2.224
346 2HB ASP 65 2HB ASP 65 -2.967 -10.915 -1.370
347 H ALA 66 H ALA 66 -1.465 -11.876 -4.908
348 HA ALA 66 HA ALA 66 0.728 -10.326 -4.118
349 1HB ALA 66 1HB ALA 66 0.603 -12.520 -5.538
350 2HB ALA 66 2HB ALA 66 1.945 -11.389 -5.734
351 3HB ALA 66 3HB ALA 66 0.617 -11.393 -6.895
352 H SER 67 H SER 67 -1.432 -9.957 -6.918
353 HA SER 67 HA SER 67 -0.256 -7.826 -8.196
354 1HB SER 67 1HB SER 67 -2.334 -9.094 -8.876
355 2HB SER 67 2HB SER 67 -3.237 -8.058 -7.779
356 HG SER 67 HG SER 67 -3.145 -6.520 -9.204
357 H ARG 68 H ARG 68 -2.470 -7.782 -5.453
358 HA ARG 68 HA ARG 68 -2.706 -5.013 -5.143
359 1HB ARG 68 1HB ARG 68 -4.104 -6.585 -3.884
360 2HB ARG 68 2HB ARG 68 -2.682 -7.176 -3.021
361 1HG ARG 68 1HG ARG 68 -3.256 -4.271 -2.870
362 2HG ARG 68 2HG ARG 68 -4.320 -5.365 -1.989
363 1HD ARG 68 1HD ARG 68 -1.314 -5.312 -1.747
364 2HD ARG 68 2HD ARG 68 -2.431 -4.537 -0.626
365 HE ARG 68 HE ARG 68 -3.327 -7.004 -0.486
366 1HH1 ARG 68 1HH1 ARG 68 -0.018 -5.894 -0.535
367 2HH1 ARG 68 2HH1 ARG 68 0.584 -7.267 0.326
368 1HH2 ARG 68 1HH2 ARG 68 -2.535 -8.792 0.678
369 2HH2 ARG 68 2HH2 ARG 68 -0.842 -8.906 1.025
370 H GLU 69 H GLU 69 -0.596 -7.223 -3.324
371 HA GLU 69 HA GLU 69 0.999 -5.397 -2.048
372 1HB GLU 69 1HB GLU 69 1.117 -7.833 -1.698
373 2HB GLU 69 2HB GLU 69 1.870 -8.030 -3.278
374 1HG GLU 69 1HG GLU 69 3.827 -6.886 -2.559
375 2HG GLU 69 2HG GLU 69 3.044 -6.385 -1.064
376 H GLU 70 H GLU 70 1.515 -6.850 -5.248
377 HA GLU 70 HA GLU 70 3.804 -5.555 -6.034
378 1HB GLU 70 1HB GLU 70 2.488 -7.345 -7.273
379 2HB GLU 70 2HB GLU 70 1.442 -6.058 -7.849
380 1HG GLU 70 1HG GLU 70 2.977 -6.441 -9.574
381 2HG GLU 70 2HG GLU 70 3.527 -4.965 -8.781
382 H THR 71 H THR 71 0.504 -4.502 -6.906
383 HA THR 71 HA THR 71 1.149 -2.020 -7.945
384 HB THR 71 HB THR 71 -1.310 -2.796 -6.360
385 HG1 THR 71 HG1 THR 71 -0.659 -2.819 -9.107
386 1HG2 THR 71 1HG2 THR 71 -1.414 -0.478 -6.331
387 2HG2 THR 71 2HG2 THR 71 -2.355 -0.921 -7.758
388 3HG2 THR 71 3HG2 THR 71 -0.701 -0.331 -7.938
389 H ALA 72 H ALA 72 0.383 -2.812 -4.547
390 HA ALA 72 HA ALA 72 0.557 -0.266 -3.496
391 1HB ALA 72 1HB ALA 72 -0.204 -2.057 -2.113
392 2HB ALA 72 2HB ALA 72 1.233 -1.372 -1.361
393 3HB ALA 72 3HB ALA 72 1.345 -2.891 -2.250
394 H HIS 73 H HIS 73 3.151 -2.602 -4.070
395 HA HIS 73 HA HIS 73 5.315 -1.118 -3.100
396 1HB HIS 73 1HB HIS 73 5.097 -3.109 -5.358
397 2HB HIS 73 2HB HIS 73 6.621 -2.319 -4.991
398 HD2 HIS 73 HD2 HIS 73 4.410 -5.207 -3.694
399 HE1 HIS 73 HE1 HIS 73 7.799 -4.924 -1.169
400 HE2 HIS 73 HE2 HIS 73 5.721 -6.228 -1.718
401 H LYS 74 H LYS 74 3.826 -1.190 -6.308
402 HA LYS 74 HA LYS 74 5.412 0.706 -7.583
403 1HB LYS 74 1HB LYS 74 2.559 -0.160 -7.998
404 2HB LYS 74 2HB LYS 74 3.329 1.029 -9.037
405 1HG LYS 74 1HG LYS 74 4.409 -0.530 -10.177
406 2HG LYS 74 2HG LYS 74 4.963 -1.342 -8.719
407 1HD LYS 74 1HD LYS 74 3.660 -2.962 -9.714
408 2HD LYS 74 2HD LYS 74 2.514 -2.202 -8.616
409 1HE LYS 74 1HE LYS 74 2.825 -1.469 -11.520
410 2HE LYS 74 2HE LYS 74 1.621 -2.606 -10.911
411 1HZ LYS 74 1HZ LYS 74 1.694 0.292 -10.735
412 2HZ LYS 74 2HZ LYS 74 1.151 -0.510 -9.348
413 3HZ LYS 74 3HZ LYS 74 0.369 -0.756 -10.828
414 H VAL 75 H VAL 75 2.356 1.135 -5.853
415 HA VAL 75 HA VAL 75 2.184 3.921 -6.255
416 HB VAL 75 HB VAL 75 1.014 2.300 -3.989
417 1HG1 VAL 75 1HG1 VAL 75 -0.683 4.123 -3.961
418 2HG1 VAL 75 2HG1 VAL 75 0.321 5.019 -5.102
419 3HG1 VAL 75 3HG1 VAL 75 0.932 4.655 -3.487
420 1HG2 VAL 75 1HG2 VAL 75 0.352 2.594 -6.840
421 2HG2 VAL 75 2HG2 VAL 75 -1.009 2.714 -5.722
422 3HG2 VAL 75 3HG2 VAL 75 0.007 1.271 -5.726
423 H ALA 76 H ALA 76 3.124 2.100 -3.336
424 HA ALA 76 HA ALA 76 3.897 4.138 -1.708
425 1HB ALA 76 1HB ALA 76 4.121 2.222 -0.574
426 2HB ALA 76 2HB ALA 76 5.806 2.355 -1.073
427 3HB ALA 76 3HB ALA 76 4.693 1.328 -1.978
428 H TRP 77 H TRP 77 5.914 2.602 -4.174
429 HA TRP 77 HA TRP 77 8.222 4.142 -3.701
430 1HB TRP 77 1HB TRP 77 7.245 2.467 -5.941
431 2HB TRP 77 2HB TRP 77 8.465 3.669 -6.347
432 HD1 TRP 77 HD1 TRP 77 8.182 0.242 -5.227
433 HE1 TRP 77 HE1 TRP 77 10.397 -0.634 -4.250
434 HE3 TRP 77 HE3 TRP 77 10.598 4.694 -4.636
435 HZ2 TRP 77 HZ2 TRP 77 12.845 0.436 -3.337
436 HZ3 TRP 77 HZ3 TRP 77 12.872 4.687 -3.694
437 HH2 TRP 77 HH2 TRP 77 13.970 2.603 -3.057
438 H ALA 78 H ALA 78 5.412 4.671 -5.782
439 HA ALA 78 HA ALA 78 6.205 6.939 -7.143
440 1HB ALA 78 1HB ALA 78 4.052 5.741 -7.485
441 2HB ALA 78 2HB ALA 78 3.868 7.491 -7.381
442 3HB ALA 78 3HB ALA 78 3.446 6.478 -6.001
443 H ALA 79 H ALA 79 4.796 6.678 -3.902
444 HA ALA 79 HA ALA 79 4.775 9.419 -3.271
445 1HB ALA 79 1HB ALA 79 4.437 6.870 -1.863
446 2HB ALA 79 2HB ALA 79 3.568 8.395 -1.672
447 3HB ALA 79 3HB ALA 79 5.120 8.159 -0.872
448 H VAL 80 H VAL 80 7.103 6.826 -2.716
449 HA VAL 80 HA VAL 80 9.031 8.298 -1.355
450 HB VAL 80 HB VAL 80 9.355 5.875 -3.148
451 1HG1 VAL 80 1HG1 VAL 80 11.408 5.806 -1.373
452 2HG1 VAL 80 2HG1 VAL 80 11.290 7.533 -1.691
453 3HG1 VAL 80 3HG1 VAL 80 11.537 6.406 -3.024
454 1HG2 VAL 80 1HG2 VAL 80 7.988 5.281 -1.337
455 2HG2 VAL 80 2HG2 VAL 80 8.902 6.276 -0.202
456 3HG2 VAL 80 3HG2 VAL 80 9.608 4.797 -0.846
457 H LYS 81 H LYS 81 8.794 7.602 -4.870
458 HA LYS 81 HA LYS 81 11.054 9.097 -5.607
459 1HB LYS 81 1HB LYS 81 8.561 8.533 -7.223
460 2HB LYS 81 2HB LYS 81 10.110 9.053 -7.869
461 1HG LYS 81 1HG LYS 81 11.137 6.988 -7.264
462 2HG LYS 81 2HG LYS 81 9.711 6.485 -6.356
463 1HD LYS 81 1HD LYS 81 8.407 6.437 -8.426
464 2HD LYS 81 2HD LYS 81 9.828 6.953 -9.336
465 1HE LYS 81 1HE LYS 81 10.985 4.915 -8.754
466 2HE LYS 81 2HE LYS 81 9.653 4.419 -7.712
467 1HZ LYS 81 1HZ LYS 81 8.667 4.960 -10.295
468 2HZ LYS 81 2HZ LYS 81 8.656 3.499 -9.444
469 3HZ LYS 81 3HZ LYS 81 9.976 3.899 -10.423
470 H HIS 82 H HIS 82 7.965 10.086 -4.564
471 HA HIS 82 HA HIS 82 8.020 12.670 -5.872
472 1HB HIS 82 1HB HIS 82 5.890 11.450 -5.402
473 2HB HIS 82 2HB HIS 82 6.179 11.689 -3.681
474 HD2 HIS 82 HD2 HIS 82 6.811 14.817 -3.523
475 HE1 HIS 82 HE1 HIS 82 3.266 15.349 -5.794
476 HE2 HIS 82 HE2 HIS 82 4.995 16.468 -4.341
477 H GLU 83 H GLU 83 8.246 11.453 -2.545
478 HA GLU 83 HA GLU 83 9.149 14.059 -1.605
479 1HB GLU 83 1HB GLU 83 8.949 11.634 0.135
480 2HB GLU 83 2HB GLU 83 8.680 13.324 0.541
481 1HG GLU 83 1HG GLU 83 6.736 12.892 -1.298
482 2HG GLU 83 2HG GLU 83 6.835 11.318 -0.511
483 H TYR 84 H TYR 84 10.492 11.181 -2.741
484 HA TYR 84 HA TYR 84 13.119 11.985 -1.719
485 1HB TYR 84 1HB TYR 84 11.861 9.264 -1.586
486 2HB TYR 84 2HB TYR 84 13.610 9.438 -1.628
487 HD1 TYR 84 HD1 TYR 84 14.816 10.142 0.301
488 HD2 TYR 84 HD2 TYR 84 10.565 10.247 0.307
489 HE1 TYR 84 HE1 TYR 84 14.837 10.576 2.723
490 HE2 TYR 84 HE2 TYR 84 10.579 10.678 2.731
491 HH TYR 84 HH TYR 84 12.824 11.838 4.382
492 H ALA 85 H ALA 85 14.863 11.567 -3.016
493 HA ALA 85 HA ALA 85 14.264 10.775 -5.798
494 1HB ALA 85 1HB ALA 85 16.331 12.404 -6.190
495 2HB ALA 85 2HB ALA 85 15.692 13.138 -4.719
496 3HB ALA 85 3HB ALA 85 14.667 12.985 -6.147
497 H LYS 86 H LYS 86 15.848 9.586 -6.913
498 HA LYS 86 HA LYS 86 17.774 8.226 -5.192
499 1HB LYS 86 1HB LYS 86 16.242 7.025 -6.883
500 2HB LYS 86 2HB LYS 86 17.326 7.655 -8.113
501 1HG LYS 86 1HG LYS 86 19.189 6.452 -7.152
502 2HG LYS 86 2HG LYS 86 18.178 5.916 -5.807
503 1HD LYS 86 1HD LYS 86 18.019 4.065 -7.118
504 2HD LYS 86 2HD LYS 86 16.685 4.995 -7.805
505 1HE LYS 86 1HE LYS 86 19.490 4.759 -8.883
506 2HE LYS 86 2HE LYS 86 18.018 4.103 -9.595
507 1HZ LYS 86 1HZ LYS 86 18.493 6.056 -10.777
508 2HZ LYS 86 2HZ LYS 86 18.827 6.942 -9.375
509 3HZ LYS 86 3HZ LYS 86 17.238 6.482 -9.726
510 H GLY 87 H GLY 87 19.885 8.801 -5.139
511 1HA GLY 87 1HA GLY 87 20.787 10.948 -6.818
512 2HA GLY 87 2HA GLY 87 21.736 10.099 -5.606
513 H ASP 88 H ASP 88 23.416 10.364 -7.400
514 HA ASP 88 HA ASP 88 23.138 8.901 -9.787
515 1HB ASP 88 1HB ASP 88 25.597 9.190 -9.977
516 2HB ASP 88 2HB ASP 88 24.749 10.691 -9.620
517 H ASP 89 H ASP 89 22.566 7.335 -7.265
518 HA ASP 89 HA ASP 89 24.134 5.010 -8.012
519 1HB ASP 89 1HB ASP 89 23.767 5.767 -5.106
520 2HB ASP 89 2HB ASP 89 24.763 4.474 -5.767
521 H ASP 90 H ASP 90 23.034 3.470 -5.796
522 HA ASP 90 HA ASP 90 20.255 3.368 -6.734
523 1HB ASP 90 1HB ASP 90 22.239 1.322 -6.044
524 2HB ASP 90 2HB ASP 90 20.668 1.038 -5.297
525 H LYS 91 H LYS 91 21.040 5.277 -4.835
526 HA LYS 91 HA LYS 91 19.504 4.375 -2.497
527 1HB LYS 91 1HB LYS 91 22.076 5.801 -2.667
528 2HB LYS 91 2HB LYS 91 20.960 6.386 -1.461
529 1HG LYS 91 1HG LYS 91 20.816 4.075 -0.566
530 2HG LYS 91 2HG LYS 91 22.063 3.607 -1.727
531 1HD LYS 91 1HD LYS 91 22.385 5.752 0.379
532 2HD LYS 91 2HD LYS 91 22.965 4.074 0.538
533 1HE LYS 91 1HE LYS 91 23.992 4.844 -1.889
534 2HE LYS 91 2HE LYS 91 24.091 6.333 -0.950
535 1HZ LYS 91 1HZ LYS 91 25.382 5.240 0.700
536 2HZ LYS 91 2HZ LYS 91 26.078 4.873 -0.796
537 3HZ LYS 91 3HZ LYS 91 25.130 3.721 -0.001
538 H TRP 92 H TRP 92 18.282 6.075 -1.441
539 HA TRP 92 HA TRP 92 17.598 8.245 -3.301
540 1HB TRP 92 1HB TRP 92 15.749 6.812 -1.393
541 2HB TRP 92 2HB TRP 92 15.292 8.115 -2.484
542 HD1 TRP 92 HD1 TRP 92 16.695 4.513 -2.695
543 HE1 TRP 92 HE1 TRP 92 15.794 3.426 -4.848
544 HE3 TRP 92 HE3 TRP 92 14.183 8.519 -4.634
545 HZ2 TRP 92 HZ2 TRP 92 14.225 4.168 -7.070
546 HZ3 TRP 92 HZ3 TRP 92 13.006 8.246 -6.777
547 HH2 TRP 92 HH2 TRP 92 13.028 6.118 -7.969
548 H HIS 93 H HIS 93 16.796 10.210 -2.414
549 HA HIS 93 HA HIS 93 17.367 10.745 0.406
550 1HB HIS 93 1HB HIS 93 18.580 12.819 -0.196
551 2HB HIS 93 2HB HIS 93 19.414 11.380 -0.768
552 HD2 HIS 93 HD2 HIS 93 19.167 10.954 -3.621
553 HE1 HIS 93 HE1 HIS 93 18.155 15.007 -4.372
554 HE2 HIS 93 HE2 HIS 93 18.953 12.839 -5.380
555 H LYS 94 H LYS 94 15.884 12.179 1.304
556 HA LYS 94 HA LYS 94 13.484 12.560 0.002
557 1HB LYS 94 1HB LYS 94 14.046 12.833 2.526
558 2HB LYS 94 2HB LYS 94 14.261 14.525 2.102
559 1HG LYS 94 1HG LYS 94 11.987 14.555 1.142
560 2HG LYS 94 2HG LYS 94 11.773 12.887 1.653
561 1HD LYS 94 1HD LYS 94 12.358 13.738 4.007
562 2HD LYS 94 2HD LYS 94 12.041 15.345 3.347
563 1HE LYS 94 1HE LYS 94 9.841 14.112 2.483
564 2HE LYS 94 2HE LYS 94 10.175 13.107 3.896
565 1HZ LYS 94 1HZ LYS 94 9.472 14.707 5.246
566 2HZ LYS 94 2HZ LYS 94 8.885 15.523 3.885
567 3HZ LYS 94 3HZ LYS 94 10.422 15.885 4.491
568 H LYS 95 H LYS 95 12.749 13.785 -1.459
569 HA LYS 95 HA LYS 95 14.258 16.008 -2.488
570 1HB LYS 95 1HB LYS 95 11.985 14.346 -3.392
571 2HB LYS 95 2HB LYS 95 12.097 15.986 -3.999
572 1HG LYS 95 1HG LYS 95 14.526 14.315 -4.104
573 2HG LYS 95 2HG LYS 95 13.233 13.967 -5.249
574 1HD LYS 95 1HD LYS 95 13.917 16.809 -4.969
575 2HD LYS 95 2HD LYS 95 15.195 15.798 -5.648
576 1HE LYS 95 1HE LYS 95 13.249 14.863 -7.131
577 2HE LYS 95 2HE LYS 95 12.472 16.390 -6.714
578 1HZ LYS 95 1HZ LYS 95 14.827 15.896 -8.371
579 2HZ LYS 95 2HZ LYS 95 14.820 17.309 -7.444
580 3HZ LYS 95 3HZ LYS 95 13.588 17.031 -8.566
581 H SER 96 H SER 96 11.319 15.319 -0.790
582 HA SER 96 HA SER 96 10.517 18.136 -0.748
583 1HB SER 96 1HB SER 96 8.796 16.435 -1.289
584 2HB SER 96 2HB SER 96 9.048 15.698 0.292
585 HG SER 96 HG SER 96 8.341 18.419 0.004
Start of MODEL 8
1 HA PRO 22 HA PRO 22 2.917 -7.520 4.652
2 1HB PRO 22 1HB PRO 22 4.174 -5.649 2.796
3 2HB PRO 22 2HB PRO 22 3.813 -7.361 2.576
4 1HG PRO 22 1HG PRO 22 2.497 -5.433 1.239
5 2HG PRO 22 2HG PRO 22 1.724 -6.952 1.719
6 1HD PRO 22 1HD PRO 22 1.565 -4.262 3.028
7 2HD PRO 22 2HD PRO 22 0.273 -5.430 2.698
8 H TYR 23 H TYR 23 2.546 -4.139 5.144
9 HA TYR 23 HA TYR 23 5.090 -4.021 6.619
10 1HB TYR 23 1HB TYR 23 3.529 -1.723 5.431
11 2HB TYR 23 2HB TYR 23 5.120 -1.637 6.185
12 HD1 TYR 23 HD1 TYR 23 4.065 -0.933 3.256
13 HD2 TYR 23 HD2 TYR 23 6.285 -4.134 4.967
14 HE1 TYR 23 HE1 TYR 23 5.134 -1.352 1.081
15 HE2 TYR 23 HE2 TYR 23 7.350 -4.563 2.805
16 HH TYR 23 HH TYR 23 7.235 -4.124 0.562
17 H LYS 24 H LYS 24 5.055 -3.350 8.748
18 HA LYS 24 HA LYS 24 2.382 -2.845 9.861
19 1HB LYS 24 1HB LYS 24 4.723 -4.389 10.909
20 2HB LYS 24 2HB LYS 24 3.543 -3.719 12.025
21 1HG LYS 24 1HG LYS 24 3.031 -5.701 9.818
22 2HG LYS 24 2HG LYS 24 2.973 -5.997 11.555
23 1HD LYS 24 1HD LYS 24 1.152 -4.082 10.087
24 2HD LYS 24 2HD LYS 24 0.735 -5.744 10.493
25 1HE LYS 24 1HE LYS 24 -0.161 -4.724 12.310
26 2HE LYS 24 2HE LYS 24 1.481 -4.942 12.912
27 1HZ LYS 24 1HZ LYS 24 1.997 -2.693 12.374
28 2HZ LYS 24 2HZ LYS 24 0.558 -2.684 13.260
29 3HZ LYS 24 3HZ LYS 24 0.520 -2.469 11.582
30 H THR 25 H THR 25 5.835 -1.937 10.246
31 HA THR 25 HA THR 25 4.866 0.542 11.499
32 HB THR 25 HB THR 25 6.789 0.575 12.953
33 HG1 THR 25 HG1 THR 25 7.571 -1.946 11.957
34 1HG2 THR 25 1HG2 THR 25 6.512 -1.612 14.201
35 2HG2 THR 25 2HG2 THR 25 5.318 -2.033 12.972
36 3HG2 THR 25 3HG2 THR 25 5.070 -0.618 13.993
37 H LYS 26 H LYS 26 7.786 -0.868 10.034
38 HA LYS 26 HA LYS 26 7.959 0.908 7.865
39 1HB LYS 26 1HB LYS 26 8.601 2.232 10.169
40 2HB LYS 26 2HB LYS 26 10.174 1.644 9.667
41 1HG LYS 26 1HG LYS 26 10.329 3.209 8.124
42 2HG LYS 26 2HG LYS 26 8.756 2.783 7.443
43 1HD LYS 26 1HD LYS 26 7.888 4.647 8.289
44 2HD LYS 26 2HD LYS 26 8.314 4.118 9.913
45 1HE LYS 26 1HE LYS 26 10.665 5.004 9.351
46 2HE LYS 26 2HE LYS 26 9.864 5.859 8.031
47 1HZ LYS 26 1HZ LYS 26 9.480 7.436 9.534
48 2HZ LYS 26 2HZ LYS 26 9.865 6.432 10.839
49 3HZ LYS 26 3HZ LYS 26 8.306 6.406 10.187
50 H SER 27 H SER 27 9.985 -0.704 10.298
51 HA SER 27 HA SER 27 12.076 -1.467 8.617
52 1HB SER 27 1HB SER 27 11.420 -3.414 10.722
53 2HB SER 27 2HB SER 27 12.898 -2.489 10.460
54 HG SER 27 HG SER 27 10.798 -1.977 12.117
55 H ASP 28 H ASP 28 8.863 -2.672 8.875
56 HA ASP 28 HA ASP 28 9.238 -5.297 7.930
57 1HB ASP 28 1HB ASP 28 6.912 -3.402 7.975
58 2HB ASP 28 2HB ASP 28 6.788 -4.926 7.102
59 H LEU 29 H LEU 29 9.458 -2.254 6.362
60 HA LEU 29 HA LEU 29 8.692 -2.871 3.763
61 1HB LEU 29 1HB LEU 29 10.827 -1.008 4.777
62 2HB LEU 29 2HB LEU 29 10.319 -1.077 3.100
63 HG LEU 29 HG LEU 29 8.515 -0.385 5.421
64 1HD1 LEU 29 1HD1 LEU 29 10.472 1.200 4.447
65 2HD1 LEU 29 2HD1 LEU 29 8.950 1.788 5.127
66 3HD1 LEU 29 3HD1 LEU 29 9.133 1.628 3.379
67 1HD2 LEU 29 1HD2 LEU 29 8.073 -0.894 2.554
68 2HD2 LEU 29 2HD2 LEU 29 7.282 0.538 3.215
69 3HD2 LEU 29 3HD2 LEU 29 6.974 -1.042 3.924
70 HA PRO 30 HA PRO 30 11.676 -5.565 2.042
71 1HB PRO 30 1HB PRO 30 12.033 -3.755 -0.254
72 2HB PRO 30 2HB PRO 30 11.427 -5.405 -0.219
73 1HG PRO 30 1HG PRO 30 9.796 -3.357 -0.667
74 2HG PRO 30 2HG PRO 30 9.291 -4.735 0.309
75 1HD PRO 30 1HD PRO 30 10.221 -2.039 1.210
76 2HD PRO 30 2HD PRO 30 8.864 -3.015 1.799
77 H GLU 31 H GLU 31 13.790 -5.933 2.269
78 HA GLU 31 HA GLU 31 15.562 -4.144 3.377
79 1HB GLU 31 1HB GLU 31 17.365 -5.661 2.714
80 2HB GLU 31 2HB GLU 31 15.977 -6.560 3.307
81 1HG GLU 31 1HG GLU 31 15.309 -7.008 0.978
82 2HG GLU 31 2HG GLU 31 16.759 -6.170 0.427
83 H SER 32 H SER 32 15.262 -4.961 -0.081
84 HA SER 32 HA SER 32 17.243 -3.245 -1.045
85 1HB SER 32 1HB SER 32 15.870 -5.055 -2.267
86 2HB SER 32 2HB SER 32 14.713 -3.767 -2.573
87 HG SER 32 HG SER 32 17.467 -3.582 -3.218
88 H VAL 33 H VAL 33 14.278 -2.526 0.391
89 HA VAL 33 HA VAL 33 14.046 0.107 -0.849
90 HB VAL 33 HB VAL 33 12.243 -1.326 1.118
91 1HG1 VAL 33 1HG1 VAL 33 11.771 1.265 -0.364
92 2HG1 VAL 33 2HG1 VAL 33 12.136 1.127 1.358
93 3HG1 VAL 33 3HG1 VAL 33 10.636 0.454 0.716
94 1HG2 VAL 33 1HG2 VAL 33 12.562 -1.979 -1.450
95 2HG2 VAL 33 2HG2 VAL 33 11.384 -0.676 -1.639
96 3HG2 VAL 33 3HG2 VAL 33 11.005 -2.068 -0.626
97 H LYS 34 H LYS 34 14.116 -1.317 2.414
98 HA LYS 34 HA LYS 34 14.531 1.093 3.804
99 1HB LYS 34 1HB LYS 34 15.371 -1.705 4.606
100 2HB LYS 34 2HB LYS 34 15.151 -0.332 5.687
101 1HG LYS 34 1HG LYS 34 12.794 -0.308 5.277
102 2HG LYS 34 2HG LYS 34 12.954 -1.532 4.015
103 1HD LYS 34 1HD LYS 34 13.541 -1.908 6.951
104 2HD LYS 34 2HD LYS 34 12.131 -2.519 6.085
105 1HE LYS 34 1HE LYS 34 13.653 -3.841 4.640
106 2HE LYS 34 2HE LYS 34 15.009 -3.296 5.626
107 1HZ LYS 34 1HZ LYS 34 12.921 -5.231 6.253
108 2HZ LYS 34 2HZ LYS 34 13.463 -4.255 7.523
109 3HZ LYS 34 3HZ LYS 34 14.559 -5.227 6.679
110 H HIS 35 H HIS 35 16.717 -1.086 2.159
111 HA HIS 35 HA HIS 35 19.111 0.027 3.335
112 1HB HIS 35 1HB HIS 35 18.471 -2.306 1.866
113 2HB HIS 35 2HB HIS 35 19.685 -1.433 0.949
114 HD2 HIS 35 HD2 HIS 35 19.576 -1.908 4.876
115 HE1 HIS 35 HE1 HIS 35 23.223 -3.455 3.355
116 HE2 HIS 35 HE2 HIS 35 21.816 -3.083 5.412
117 H VAL 36 H VAL 36 17.120 1.596 1.582
118 HA VAL 36 HA VAL 36 19.157 3.097 0.138
119 HB VAL 36 HB VAL 36 17.602 3.222 -1.868
120 1HG1 VAL 36 1HG1 VAL 36 19.684 1.980 -1.945
121 2HG1 VAL 36 2HG1 VAL 36 18.429 1.093 -2.812
122 3HG1 VAL 36 3HG1 VAL 36 18.911 0.585 -1.194
123 1HG2 VAL 36 1HG2 VAL 36 16.398 0.830 -0.466
124 2HG2 VAL 36 2HG2 VAL 36 16.114 1.241 -2.161
125 3HG2 VAL 36 3HG2 VAL 36 15.589 2.342 -0.888
126 H LEU 37 H LEU 37 15.874 2.749 1.337
127 HA LEU 37 HA LEU 37 15.326 5.566 0.954
128 1HB LEU 37 1HB LEU 37 13.741 3.188 1.376
129 2HB LEU 37 2HB LEU 37 13.273 4.472 2.471
130 HG LEU 37 HG LEU 37 12.473 5.812 0.807
131 1HD1 LEU 37 1HD1 LEU 37 14.345 6.163 -0.533
132 2HD1 LEU 37 2HD1 LEU 37 13.145 5.464 -1.627
133 3HD1 LEU 37 3HD1 LEU 37 14.446 4.461 -0.992
134 1HD2 LEU 37 1HD2 LEU 37 11.755 3.125 0.701
135 2HD2 LEU 37 2HD2 LEU 37 11.911 3.638 -0.982
136 3HD2 LEU 37 3HD2 LEU 37 10.833 4.506 0.111
137 HA PRO 38 HA PRO 38 16.816 6.823 4.888
138 1HB PRO 38 1HB PRO 38 15.015 9.110 4.245
139 2HB PRO 38 2HB PRO 38 16.736 9.122 4.658
140 1HG PRO 38 1HG PRO 38 16.029 9.525 2.145
141 2HG PRO 38 2HG PRO 38 17.368 8.424 2.490
142 1HD PRO 38 1HD PRO 38 14.509 7.763 1.892
143 2HD PRO 38 2HD PRO 38 15.987 7.088 1.185
144 H SER 39 H SER 39 15.652 7.966 6.858
145 HA SER 39 HA SER 39 13.862 6.177 7.948
146 1HB SER 39 1HB SER 39 13.488 7.813 9.715
147 2HB SER 39 2HB SER 39 15.191 7.790 9.256
148 HG SER 39 HG SER 39 14.807 9.885 9.176
149 H HIS 40 H HIS 40 12.837 9.524 7.360
150 HA HIS 40 HA HIS 40 10.127 9.051 7.462
151 1HB HIS 40 1HB HIS 40 11.377 11.266 7.481
152 2HB HIS 40 2HB HIS 40 11.316 11.191 5.726
153 HD2 HIS 40 HD2 HIS 40 9.628 13.477 5.840
154 HE1 HIS 40 HE1 HIS 40 6.286 11.323 7.315
155 HE2 HIS 40 HE2 HIS 40 7.108 13.528 6.415
156 H ALA 41 H ALA 41 12.236 8.317 4.807
157 HA ALA 41 HA ALA 41 10.275 8.417 2.736
158 1HB ALA 41 1HB ALA 41 12.596 6.567 2.575
159 2HB ALA 41 2HB ALA 41 12.882 8.304 2.613
160 3HB ALA 41 3HB ALA 41 11.888 7.605 1.335
161 H GLN 42 H GLN 42 11.357 5.928 4.962
162 HA GLN 42 HA GLN 42 10.004 3.760 3.732
163 1HB GLN 42 1HB GLN 42 10.730 4.089 6.646
164 2HB GLN 42 2HB GLN 42 10.471 2.581 5.797
165 1HG GLN 42 1HG GLN 42 12.530 2.554 4.942
166 2HG GLN 42 2HG GLN 42 12.498 4.284 4.580
167 1HE2 GLN 42 1HE2 GLN 42 14.787 3.945 5.337
168 2HE2 GLN 42 2HE2 GLN 42 15.098 4.158 7.023
169 H ASP 43 H ASP 43 9.120 6.126 6.195
170 HA ASP 43 HA ASP 43 6.608 5.004 6.879
171 1HB ASP 43 1HB ASP 43 7.808 6.815 8.174
172 2HB ASP 43 2HB ASP 43 7.360 7.939 6.896
173 H ILE 44 H ILE 44 7.721 7.342 4.535
174 HA ILE 44 HA ILE 44 5.268 8.018 3.333
175 HB ILE 44 HB ILE 44 8.106 7.934 2.269
176 1HG1 ILE 44 1HG1 ILE 44 6.294 10.187 3.151
177 2HG1 ILE 44 2HG1 ILE 44 7.649 9.542 4.058
178 1HG2 ILE 44 1HG2 ILE 44 5.934 9.485 0.892
179 2HG2 ILE 44 2HG2 ILE 44 6.144 7.778 0.517
180 3HG2 ILE 44 3HG2 ILE 44 7.470 8.907 0.257
181 1HD1 ILE 44 1HD1 ILE 44 7.600 11.432 1.833
182 2HD1 ILE 44 2HD1 ILE 44 8.861 10.210 1.739
183 3HD1 ILE 44 3HD1 ILE 44 8.750 11.258 3.153
184 H TYR 45 H TYR 45 7.769 5.709 2.430
185 HA TYR 45 HA TYR 45 6.528 4.458 0.301
186 1HB TYR 45 1HB TYR 45 8.896 4.133 1.039
187 2HB TYR 45 2HB TYR 45 8.287 3.122 2.337
188 HD1 TYR 45 HD1 TYR 45 6.652 1.183 1.496
189 HD2 TYR 45 HD2 TYR 45 9.630 3.083 -0.858
190 HE1 TYR 45 HE1 TYR 45 6.686 -0.765 -0.006
191 HE2 TYR 45 HE2 TYR 45 9.677 1.143 -2.374
192 HH TYR 45 HH TYR 45 7.703 -0.820 -2.917
193 H LYS 46 H LYS 46 6.701 3.156 3.619
194 HA LYS 46 HA LYS 46 4.867 1.120 3.305
195 1HB LYS 46 1HB LYS 46 6.284 1.225 5.244
196 2HB LYS 46 2HB LYS 46 5.571 2.753 5.744
197 1HG LYS 46 1HG LYS 46 3.446 1.640 6.146
198 2HG LYS 46 2HG LYS 46 4.142 0.111 5.626
199 1HD LYS 46 1HD LYS 46 5.216 -0.206 7.578
200 2HD LYS 46 2HD LYS 46 5.643 1.500 7.734
201 1HE LYS 46 1HE LYS 46 4.102 0.687 9.505
202 2HE LYS 46 2HE LYS 46 3.457 2.031 8.567
203 1HZ LYS 46 1HZ LYS 46 2.492 -0.674 8.805
204 2HZ LYS 46 2HZ LYS 46 2.549 -0.118 7.210
205 3HZ LYS 46 3HZ LYS 46 1.665 0.737 8.371
206 H GLU 47 H GLU 47 4.236 4.375 4.646
207 HA GLU 47 HA GLU 47 1.487 4.041 5.006
208 1HB GLU 47 1HB GLU 47 3.052 6.555 4.435
209 2HB GLU 47 2HB GLU 47 1.368 6.523 4.939
210 1HG GLU 47 1HG GLU 47 3.050 4.971 6.705
211 2HG GLU 47 2HG GLU 47 3.584 6.648 6.580
212 H ALA 48 H ALA 48 3.324 4.979 2.172
213 HA ALA 48 HA ALA 48 1.005 5.675 0.638
214 1HB ALA 48 1HB ALA 48 2.672 5.521 -1.293
215 2HB ALA 48 2HB ALA 48 3.894 5.248 -0.048
216 3HB ALA 48 3HB ALA 48 2.965 6.747 -0.061
217 H PHE 49 H PHE 49 3.071 2.871 1.034
218 HA PHE 49 HA PHE 49 1.940 1.265 -0.980
219 1HB PHE 49 1HB PHE 49 4.066 0.658 0.070
220 2HB PHE 49 2HB PHE 49 3.265 0.457 1.615
221 HD1 PHE 49 HD1 PHE 49 1.434 -1.358 1.744
222 HD2 PHE 49 HD2 PHE 49 4.302 -1.108 -1.389
223 HE1 PHE 49 HE1 PHE 49 1.000 -3.710 1.163
224 HE2 PHE 49 HE2 PHE 49 3.868 -3.454 -1.970
225 HZ PHE 49 HZ PHE 49 2.213 -4.760 -0.702
226 H ASN 50 H ASN 50 1.334 1.353 2.540
227 HA ASN 50 HA ASN 50 -0.686 -0.516 2.674
228 1HB ASN 50 1HB ASN 50 0.143 1.813 4.302
229 2HB ASN 50 2HB ASN 50 -1.500 1.236 4.568
230 1HD2 ASN 50 1HD2 ASN 50 1.578 -0.391 3.870
231 2HD2 ASN 50 2HD2 ASN 50 1.522 -1.451 5.235
232 H SER 51 H SER 51 -0.931 2.939 1.938
233 HA SER 51 HA SER 51 -3.706 3.165 1.852
234 1HB SER 51 1HB SER 51 -1.696 4.915 1.496
235 2HB SER 51 2HB SER 51 -2.144 4.662 -0.192
236 HG SER 51 HG SER 51 -3.318 6.378 0.777
237 H ALA 52 H ALA 52 -1.422 2.237 -0.691
238 HA ALA 52 HA ALA 52 -3.456 1.864 -2.673
239 1HB ALA 52 1HB ALA 52 -1.654 1.936 -3.969
240 2HB ALA 52 2HB ALA 52 -1.224 0.328 -3.392
241 3HB ALA 52 3HB ALA 52 -0.591 1.755 -2.575
242 H TRP 53 H TRP 53 -2.003 -0.074 -0.184
243 HA TRP 53 HA TRP 53 -2.808 -2.622 -1.145
244 1HB TRP 53 1HB TRP 53 -1.111 -2.651 0.488
245 2HB TRP 53 2HB TRP 53 -1.958 -1.522 1.529
246 HD1 TRP 53 HD1 TRP 53 -1.577 -5.210 0.801
247 HE1 TRP 53 HE1 TRP 53 -2.867 -6.573 2.553
248 HE3 TRP 53 HE3 TRP 53 -4.112 -1.403 3.082
249 HZ2 TRP 53 HZ2 TRP 53 -4.712 -6.102 4.631
250 HZ3 TRP 53 HZ3 TRP 53 -5.621 -1.947 4.949
251 HH2 TRP 53 HH2 TRP 53 -5.912 -4.250 5.707
252 H ASP 54 H ASP 54 -4.181 -0.438 1.334
253 HA ASP 54 HA ASP 54 -6.552 -1.940 1.703
254 1HB ASP 54 1HB ASP 54 -5.698 -0.309 3.360
255 2HB ASP 54 2HB ASP 54 -6.052 1.001 2.238
256 H GLN 55 H GLN 55 -5.612 0.642 -0.449
257 HA GLN 55 HA GLN 55 -8.191 1.265 -1.426
258 1HB GLN 55 1HB GLN 55 -5.401 1.802 -2.331
259 2HB GLN 55 2HB GLN 55 -6.718 2.080 -3.463
260 1HG GLN 55 1HG GLN 55 -7.690 3.374 -1.338
261 2HG GLN 55 2HG GLN 55 -5.969 3.555 -1.021
262 1HE2 GLN 55 1HE2 GLN 55 -5.502 5.573 -1.551
263 2HE2 GLN 55 2HE2 GLN 55 -5.866 6.324 -3.064
264 H TYR 56 H TYR 56 -5.935 -1.205 -2.105
265 HA TYR 56 HA TYR 56 -6.871 -1.968 -4.670
266 1HB TYR 56 1HB TYR 56 -4.705 -2.600 -3.178
267 2HB TYR 56 2HB TYR 56 -5.677 -4.043 -2.952
268 HD1 TYR 56 HD1 TYR 56 -4.017 -1.931 -5.447
269 HD2 TYR 56 HD2 TYR 56 -5.986 -5.610 -4.686
270 HE1 TYR 56 HE1 TYR 56 -3.242 -2.781 -7.617
271 HE2 TYR 56 HE2 TYR 56 -5.228 -6.479 -6.849
272 HH TYR 56 HH TYR 56 -3.357 -4.463 -9.095
273 H LYS 57 H LYS 57 -9.163 -1.625 -3.209
274 HA LYS 57 HA LYS 57 -10.135 -4.057 -2.071
275 1HB LYS 57 1HB LYS 57 -10.994 -1.353 -2.291
276 2HB LYS 57 2HB LYS 57 -12.286 -2.378 -2.896
277 1HG LYS 57 1HG LYS 57 -11.027 -3.183 -0.345
278 2HG LYS 57 2HG LYS 57 -12.031 -1.731 -0.327
279 1HD LYS 57 1HD LYS 57 -13.176 -4.035 -1.757
280 2HD LYS 57 2HD LYS 57 -12.979 -4.252 -0.015
281 1HE LYS 57 1HE LYS 57 -14.203 -2.142 0.352
282 2HE LYS 57 2HE LYS 57 -14.447 -2.003 -1.388
283 1HZ LYS 57 1HZ LYS 57 -15.430 -4.407 -1.029
284 2HZ LYS 57 2HZ LYS 57 -16.374 -3.020 -0.815
285 3HZ LYS 57 3HZ LYS 57 -15.712 -3.806 0.528
286 H ASP 58 H ASP 58 -9.444 -3.322 -5.189
287 HA ASP 58 HA ASP 58 -11.748 -4.342 -6.527
288 1HB ASP 58 1HB ASP 58 -9.781 -2.796 -7.379
289 2HB ASP 58 2HB ASP 58 -9.047 -4.340 -7.805
290 H LYS 59 H LYS 59 -8.672 -5.690 -5.461
291 HA LYS 59 HA LYS 59 -9.661 -8.340 -5.371
292 1HB LYS 59 1HB LYS 59 -9.360 -7.850 -7.887
293 2HB LYS 59 2HB LYS 59 -7.638 -7.912 -7.538
294 1HG LYS 59 1HG LYS 59 -7.618 -10.139 -7.437
295 2HG LYS 59 2HG LYS 59 -9.098 -10.189 -6.488
296 1HD LYS 59 1HD LYS 59 -10.403 -9.807 -8.553
297 2HD LYS 59 2HD LYS 59 -8.901 -9.866 -9.479
298 1HE LYS 59 1HE LYS 59 -8.638 -12.127 -9.166
299 2HE LYS 59 2HE LYS 59 -9.552 -12.132 -7.658
300 1HZ LYS 59 1HZ LYS 59 -10.458 -12.641 -10.297
301 2HZ LYS 59 2HZ LYS 59 -11.335 -11.362 -9.621
302 3HZ LYS 59 3HZ LYS 59 -11.272 -12.855 -8.829
303 H GLU 60 H GLU 60 -8.369 -6.842 -3.526
304 HA GLU 60 HA GLU 60 -5.551 -7.244 -3.529
305 1HB GLU 60 1HB GLU 60 -5.672 -6.482 -1.147
306 2HB GLU 60 2HB GLU 60 -6.329 -5.368 -2.324
307 1HG GLU 60 1HG GLU 60 -8.380 -5.448 -1.443
308 2HG GLU 60 2HG GLU 60 -8.312 -7.185 -1.190
309 H ASP 61 H ASP 61 -8.124 -8.723 -1.540
310 HA ASP 61 HA ASP 61 -6.188 -10.818 -0.832
311 1HB ASP 61 1HB ASP 61 -7.553 -9.340 0.902
312 2HB ASP 61 2HB ASP 61 -8.782 -10.568 0.615
313 H ARG 62 H ARG 62 -7.290 -11.014 -3.324
314 HA ARG 62 HA ARG 62 -9.315 -13.119 -3.033
315 1HB ARG 62 1HB ARG 62 -8.561 -11.621 -5.542
316 2HB ARG 62 2HB ARG 62 -9.958 -12.668 -5.305
317 1HG ARG 62 1HG ARG 62 -9.505 -10.144 -3.730
318 2HG ARG 62 2HG ARG 62 -10.412 -10.192 -5.245
319 1HD ARG 62 1HD ARG 62 -11.069 -11.568 -2.650
320 2HD ARG 62 2HD ARG 62 -12.011 -10.343 -3.498
321 HE ARG 62 HE ARG 62 -11.896 -13.179 -4.082
322 1HH1 ARG 62 1HH1 ARG 62 -12.838 -10.004 -5.190
323 2HH1 ARG 62 2HH1 ARG 62 -13.968 -10.610 -6.354
324 1HH2 ARG 62 1HH2 ARG 62 -13.383 -13.975 -5.616
325 2HH2 ARG 62 2HH2 ARG 62 -14.276 -12.862 -6.599
326 H ARG 63 H ARG 63 -7.942 -13.278 -6.078
327 HA ARG 63 HA ARG 63 -6.402 -15.629 -5.285
328 1HB ARG 63 1HB ARG 63 -6.560 -16.344 -7.580
329 2HB ARG 63 2HB ARG 63 -8.160 -15.866 -7.027
330 1HG ARG 63 1HG ARG 63 -7.765 -13.644 -8.125
331 2HG ARG 63 2HG ARG 63 -6.309 -14.340 -8.837
332 1HD ARG 63 1HD ARG 63 -8.872 -15.818 -9.139
333 2HD ARG 63 2HD ARG 63 -8.631 -14.362 -10.103
334 HE ARG 63 HE ARG 63 -6.997 -15.449 -11.319
335 1HH1 ARG 63 1HH1 ARG 63 -7.971 -17.428 -8.607
336 2HH1 ARG 63 2HH1 ARG 63 -7.161 -18.841 -9.191
337 1HH2 ARG 63 1HH2 ARG 63 -5.936 -17.310 -12.083
338 2HH2 ARG 63 2HH2 ARG 63 -6.006 -18.775 -11.163
339 H ASP 64 H ASP 64 -6.083 -12.657 -7.195
340 HA ASP 64 HA ASP 64 -3.205 -13.130 -7.438
341 1HB ASP 64 1HB ASP 64 -4.576 -12.480 -9.447
342 2HB ASP 64 2HB ASP 64 -4.835 -10.912 -8.688
343 H ASP 65 H ASP 65 -3.657 -12.674 -4.888
344 HA ASP 65 HA ASP 65 -3.874 -10.045 -3.984
345 1HB ASP 65 1HB ASP 65 -2.315 -12.331 -2.753
346 2HB ASP 65 2HB ASP 65 -2.782 -10.851 -1.920
347 H ALA 66 H ALA 66 -1.145 -11.760 -5.328
348 HA ALA 66 HA ALA 66 0.944 -10.125 -4.446
349 1HB ALA 66 1HB ALA 66 2.067 -10.802 -6.623
350 2HB ALA 66 2HB ALA 66 0.604 -11.728 -6.958
351 3HB ALA 66 3HB ALA 66 1.579 -12.100 -5.534
352 H SER 67 H SER 67 -1.199 -9.796 -7.254
353 HA SER 67 HA SER 67 -0.057 -7.608 -8.502
354 1HB SER 67 1HB SER 67 -2.081 -8.920 -9.260
355 2HB SER 67 2HB SER 67 -3.036 -7.971 -8.127
356 HG SER 67 HG SER 67 -1.934 -7.254 -10.556
357 H ARG 68 H ARG 68 -2.339 -7.716 -5.812
358 HA ARG 68 HA ARG 68 -2.669 -4.973 -5.405
359 1HB ARG 68 1HB ARG 68 -4.023 -6.645 -4.211
360 2HB ARG 68 2HB ARG 68 -2.586 -7.196 -3.348
361 1HG ARG 68 1HG ARG 68 -3.238 -4.324 -3.122
362 2HG ARG 68 2HG ARG 68 -4.317 -5.459 -2.312
363 1HD ARG 68 1HD ARG 68 -1.319 -5.386 -1.970
364 2HD ARG 68 2HD ARG 68 -2.482 -4.653 -0.864
365 HE ARG 68 HE ARG 68 -3.362 -7.141 -0.863
366 1HH1 ARG 68 1HH1 ARG 68 -0.073 -5.976 -0.673
367 2HH1 ARG 68 2HH1 ARG 68 0.486 -7.342 0.231
368 1HH2 ARG 68 1HH2 ARG 68 -2.626 -8.928 0.328
369 2HH2 ARG 68 2HH2 ARG 68 -0.963 -9.018 0.799
370 H GLU 69 H GLU 69 -0.528 -7.158 -3.586
371 HA GLU 69 HA GLU 69 0.989 -5.315 -2.239
372 1HB GLU 69 1HB GLU 69 1.124 -7.774 -1.962
373 2HB GLU 69 2HB GLU 69 2.000 -7.890 -3.486
374 1HG GLU 69 1HG GLU 69 3.810 -6.566 -2.540
375 2HG GLU 69 2HG GLU 69 2.916 -6.415 -1.032
376 H GLU 70 H GLU 70 1.540 -6.626 -5.487
377 HA GLU 70 HA GLU 70 3.862 -5.302 -6.177
378 1HB GLU 70 1HB GLU 70 2.759 -7.036 -7.548
379 2HB GLU 70 2HB GLU 70 1.485 -5.901 -7.945
380 1HG GLU 70 1HG GLU 70 2.683 -5.421 -9.750
381 2HG GLU 70 2HG GLU 70 3.745 -4.530 -8.661
382 H THR 71 H THR 71 0.566 -4.283 -7.060
383 HA THR 71 HA THR 71 1.181 -1.775 -8.038
384 HB THR 71 HB THR 71 -1.285 -2.612 -6.501
385 HG1 THR 71 HG1 THR 71 -1.875 -2.330 -8.985
386 1HG2 THR 71 1HG2 THR 71 -2.318 -0.718 -7.911
387 2HG2 THR 71 2HG2 THR 71 -0.664 -0.099 -7.998
388 3HG2 THR 71 3HG2 THR 71 -1.447 -0.304 -6.429
389 H ALA 72 H ALA 72 0.328 -2.605 -4.665
390 HA ALA 72 HA ALA 72 0.523 -0.073 -3.576
391 1HB ALA 72 1HB ALA 72 1.240 -1.284 -1.454
392 2HB ALA 72 2HB ALA 72 1.149 -2.768 -2.396
393 3HB ALA 72 3HB ALA 72 -0.292 -1.779 -2.166
394 H HIS 73 H HIS 73 3.065 -2.442 -4.206
395 HA HIS 73 HA HIS 73 5.250 -1.034 -3.165
396 1HB HIS 73 1HB HIS 73 4.946 -3.076 -5.332
397 2HB HIS 73 2HB HIS 73 6.471 -2.213 -5.213
398 HD2 HIS 73 HD2 HIS 73 4.549 -5.070 -3.475
399 HE1 HIS 73 HE1 HIS 73 8.168 -4.452 -1.343
400 HE2 HIS 73 HE2 HIS 73 6.114 -5.889 -1.583
401 H LYS 74 H LYS 74 3.812 -0.990 -6.413
402 HA LYS 74 HA LYS 74 5.460 0.933 -7.571
403 1HB LYS 74 1HB LYS 74 2.631 0.051 -8.103
404 2HB LYS 74 2HB LYS 74 3.379 1.338 -9.043
405 1HG LYS 74 1HG LYS 74 4.194 -0.227 -10.373
406 2HG LYS 74 2HG LYS 74 5.257 -0.703 -9.052
407 1HD LYS 74 1HD LYS 74 4.279 -2.700 -9.165
408 2HD LYS 74 2HD LYS 74 2.871 -1.935 -8.433
409 1HE LYS 74 1HE LYS 74 1.975 -2.955 -10.314
410 2HE LYS 74 2HE LYS 74 2.249 -1.302 -10.865
411 1HZ LYS 74 1HZ LYS 74 3.000 -3.091 -12.420
412 2HZ LYS 74 2HZ LYS 74 4.198 -3.494 -11.296
413 3HZ LYS 74 3HZ LYS 74 4.190 -1.961 -12.012
414 H VAL 75 H VAL 75 2.439 1.266 -5.787
415 HA VAL 75 HA VAL 75 2.177 4.055 -6.112
416 HB VAL 75 HB VAL 75 1.121 2.332 -3.870
417 1HG1 VAL 75 1HG1 VAL 75 0.648 5.152 -4.709
418 2HG1 VAL 75 2HG1 VAL 75 0.730 4.456 -3.092
419 3HG1 VAL 75 3HG1 VAL 75 -0.710 4.219 -4.081
420 1HG2 VAL 75 1HG2 VAL 75 0.433 2.609 -6.689
421 2HG2 VAL 75 2HG2 VAL 75 -0.940 2.824 -5.600
422 3HG2 VAL 75 3HG2 VAL 75 0.012 1.339 -5.540
423 H ALA 76 H ALA 76 3.228 2.186 -3.259
424 HA ALA 76 HA ALA 76 4.017 4.223 -1.624
425 1HB ALA 76 1HB ALA 76 4.253 2.272 -0.535
426 2HB ALA 76 2HB ALA 76 5.936 2.460 -1.024
427 3HB ALA 76 3HB ALA 76 4.857 1.420 -1.955
428 H TRP 77 H TRP 77 5.965 2.666 -4.117
429 HA TRP 77 HA TRP 77 8.290 4.196 -3.753
430 1HB TRP 77 1HB TRP 77 7.178 2.521 -5.928
431 2HB TRP 77 2HB TRP 77 8.391 3.698 -6.402
432 HD1 TRP 77 HD1 TRP 77 8.079 0.299 -5.162
433 HE1 TRP 77 HE1 TRP 77 10.333 -0.619 -4.328
434 HE3 TRP 77 HE3 TRP 77 10.672 4.681 -4.932
435 HZ2 TRP 77 HZ2 TRP 77 12.881 0.399 -3.652
436 HZ3 TRP 77 HZ3 TRP 77 13.013 4.630 -4.177
437 HH2 TRP 77 HH2 TRP 77 14.093 2.532 -3.548
438 H ALA 78 H ALA 78 5.410 4.717 -5.751
439 HA ALA 78 HA ALA 78 6.161 7.007 -7.113
440 1HB ALA 78 1HB ALA 78 3.817 7.521 -7.342
441 2HB ALA 78 2HB ALA 78 3.415 6.482 -5.975
442 3HB ALA 78 3HB ALA 78 4.036 5.776 -7.466
443 H ALA 79 H ALA 79 4.770 6.721 -3.854
444 HA ALA 79 HA ALA 79 4.717 9.483 -3.270
445 1HB ALA 79 1HB ALA 79 4.868 8.492 -0.838
446 2HB ALA 79 2HB ALA 79 4.585 6.964 -1.673
447 3HB ALA 79 3HB ALA 79 3.413 8.275 -1.808
448 H VAL 80 H VAL 80 7.044 6.899 -2.731
449 HA VAL 80 HA VAL 80 8.972 8.352 -1.343
450 HB VAL 80 HB VAL 80 9.268 5.947 -3.161
451 1HG1 VAL 80 1HG1 VAL 80 11.429 6.770 -3.114
452 2HG1 VAL 80 2HG1 VAL 80 11.406 5.723 -1.695
453 3HG1 VAL 80 3HG1 VAL 80 11.240 7.468 -1.506
454 1HG2 VAL 80 1HG2 VAL 80 9.288 4.685 -1.144
455 2HG2 VAL 80 2HG2 VAL 80 7.880 5.739 -1.083
456 3HG2 VAL 80 3HG2 VAL 80 9.327 6.138 -0.152
457 H LYS 81 H LYS 81 8.758 7.649 -4.856
458 HA LYS 81 HA LYS 81 10.979 9.184 -5.607
459 1HB LYS 81 1HB LYS 81 8.502 8.392 -7.136
460 2HB LYS 81 2HB LYS 81 9.875 9.205 -7.874
461 1HG LYS 81 1HG LYS 81 11.202 7.362 -7.780
462 2HG LYS 81 2HG LYS 81 10.405 6.724 -6.341
463 1HD LYS 81 1HD LYS 81 8.402 6.249 -7.776
464 2HD LYS 81 2HD LYS 81 9.386 6.678 -9.176
465 1HE LYS 81 1HE LYS 81 11.021 4.916 -7.946
466 2HE LYS 81 2HE LYS 81 9.451 4.275 -7.482
467 1HZ LYS 81 1HZ LYS 81 10.441 3.406 -9.613
468 2HZ LYS 81 2HZ LYS 81 10.111 4.921 -10.288
469 3HZ LYS 81 3HZ LYS 81 8.845 3.961 -9.705
470 H HIS 82 H HIS 82 7.908 10.162 -4.514
471 HA HIS 82 HA HIS 82 7.891 12.715 -5.877
472 1HB HIS 82 1HB HIS 82 5.826 11.359 -5.162
473 2HB HIS 82 2HB HIS 82 6.157 11.944 -3.536
474 HD2 HIS 82 HD2 HIS 82 6.594 15.056 -3.942
475 HE1 HIS 82 HE1 HIS 82 3.041 15.000 -6.263
476 HE2 HIS 82 HE2 HIS 82 4.620 16.422 -4.909
477 H GLU 83 H GLU 83 8.313 11.538 -2.571
478 HA GLU 83 HA GLU 83 9.257 14.163 -1.699
479 1HB GLU 83 1HB GLU 83 9.117 11.843 0.156
480 2HB GLU 83 2HB GLU 83 8.719 13.531 0.434
481 1HG GLU 83 1HG GLU 83 6.812 12.876 -1.342
482 2HG GLU 83 2HG GLU 83 7.043 11.322 -0.542
483 H TYR 84 H TYR 84 10.499 11.277 -2.844
484 HA TYR 84 HA TYR 84 13.170 11.962 -1.849
485 1HB TYR 84 1HB TYR 84 11.807 9.289 -1.722
486 2HB TYR 84 2HB TYR 84 13.563 9.408 -1.748
487 HD1 TYR 84 HD1 TYR 84 14.772 10.049 0.192
488 HD2 TYR 84 HD2 TYR 84 10.531 10.370 0.140
489 HE1 TYR 84 HE1 TYR 84 14.778 10.546 2.599
490 HE2 TYR 84 HE2 TYR 84 10.540 10.852 2.551
491 HH TYR 84 HH TYR 84 12.417 10.230 4.556
492 H ALA 85 H ALA 85 14.886 11.489 -3.166
493 HA ALA 85 HA ALA 85 14.233 10.669 -5.926
494 1HB ALA 85 1HB ALA 85 15.694 13.042 -4.925
495 2HB ALA 85 2HB ALA 85 14.678 12.850 -6.354
496 3HB ALA 85 3HB ALA 85 16.337 12.253 -6.367
497 H LYS 86 H LYS 86 15.780 9.430 -7.041
498 HA LYS 86 HA LYS 86 17.684 8.051 -5.317
499 1HB LYS 86 1HB LYS 86 16.133 6.896 -7.050
500 2HB LYS 86 2HB LYS 86 17.292 7.469 -8.239
501 1HG LYS 86 1HG LYS 86 19.064 6.224 -7.161
502 2HG LYS 86 2HG LYS 86 17.957 5.720 -5.880
503 1HD LYS 86 1HD LYS 86 17.675 3.889 -7.151
504 2HD LYS 86 2HD LYS 86 16.601 4.924 -8.095
505 1HE LYS 86 1HE LYS 86 19.077 5.514 -9.129
506 2HE LYS 86 2HE LYS 86 19.206 3.791 -8.782
507 1HZ LYS 86 1HZ LYS 86 18.383 3.983 -10.965
508 2HZ LYS 86 2HZ LYS 86 17.233 5.144 -10.528
509 3HZ LYS 86 3HZ LYS 86 17.052 3.541 -10.019
510 H GLY 87 H GLY 87 19.825 8.559 -5.280
511 1HA GLY 87 1HA GLY 87 20.744 10.719 -6.940
512 2HA GLY 87 2HA GLY 87 21.684 9.851 -5.733
513 H ASP 88 H ASP 88 23.361 10.114 -7.532
514 HA ASP 88 HA ASP 88 23.066 8.668 -9.926
515 1HB ASP 88 1HB ASP 88 25.605 8.861 -9.992
516 2HB ASP 88 2HB ASP 88 24.703 10.371 -9.895
517 H ASP 89 H ASP 89 22.411 7.048 -7.513
518 HA ASP 89 HA ASP 89 23.958 4.722 -8.252
519 1HB ASP 89 1HB ASP 89 23.630 5.337 -5.320
520 2HB ASP 89 2HB ASP 89 24.710 4.174 -6.086
521 H ASP 90 H ASP 90 22.869 3.131 -6.096
522 HA ASP 90 HA ASP 90 20.069 3.141 -6.970
523 1HB ASP 90 1HB ASP 90 22.002 1.041 -6.446
524 2HB ASP 90 2HB ASP 90 20.538 0.790 -5.500
525 H LYS 91 H LYS 91 20.870 5.025 -5.104
526 HA LYS 91 HA LYS 91 19.333 4.169 -2.754
527 1HB LYS 91 1HB LYS 91 21.992 5.444 -2.908
528 2HB LYS 91 2HB LYS 91 20.913 6.054 -1.678
529 1HG LYS 91 1HG LYS 91 20.663 3.784 -0.798
530 2HG LYS 91 2HG LYS 91 21.767 3.198 -2.043
531 1HD LYS 91 1HD LYS 91 23.309 5.116 -0.999
532 2HD LYS 91 2HD LYS 91 22.317 4.741 0.436
533 1HE LYS 91 1HE LYS 91 22.892 2.273 -0.150
534 2HE LYS 91 2HE LYS 91 24.208 2.979 -1.087
535 1HZ LYS 91 1HZ LYS 91 23.731 3.455 1.806
536 2HZ LYS 91 2HZ LYS 91 25.024 4.057 0.897
537 3HZ LYS 91 3HZ LYS 91 24.885 2.393 1.171
538 H TRP 92 H TRP 92 18.287 6.002 -1.622
539 HA TRP 92 HA TRP 92 17.798 8.240 -3.458
540 1HB TRP 92 1HB TRP 92 15.675 6.963 -1.741
541 2HB TRP 92 2HB TRP 92 15.449 8.210 -2.964
542 HD1 TRP 92 HD1 TRP 92 16.920 4.609 -2.941
543 HE1 TRP 92 HE1 TRP 92 16.072 3.397 -5.046
544 HE3 TRP 92 HE3 TRP 92 14.181 8.398 -5.008
545 HZ2 TRP 92 HZ2 TRP 92 14.456 3.971 -7.289
546 HZ3 TRP 92 HZ3 TRP 92 13.016 7.984 -7.137
547 HH2 TRP 92 HH2 TRP 92 13.153 5.815 -8.251
548 H HIS 93 H HIS 93 16.894 10.165 -2.509
549 HA HIS 93 HA HIS 93 17.356 10.562 0.352
550 1HB HIS 93 1HB HIS 93 18.540 12.721 -0.158
551 2HB HIS 93 2HB HIS 93 19.451 11.281 -0.600
552 HD2 HIS 93 HD2 HIS 93 18.928 10.682 -3.543
553 HE1 HIS 93 HE1 HIS 93 18.917 14.849 -4.349
554 HE2 HIS 93 HE2 HIS 93 19.102 12.538 -5.337
555 H LYS 94 H LYS 94 15.981 12.155 1.251
556 HA LYS 94 HA LYS 94 13.559 12.543 -0.061
557 1HB LYS 94 1HB LYS 94 14.094 12.782 2.466
558 2HB LYS 94 2HB LYS 94 14.404 14.465 2.061
559 1HG LYS 94 1HG LYS 94 12.146 14.624 1.076
560 2HG LYS 94 2HG LYS 94 11.838 12.966 1.571
561 1HD LYS 94 1HD LYS 94 12.341 13.694 3.938
562 2HD LYS 94 2HD LYS 94 12.313 15.356 3.337
563 1HE LYS 94 1HE LYS 94 9.992 14.454 2.315
564 2HE LYS 94 2HE LYS 94 10.100 13.444 3.757
565 1HZ LYS 94 1HZ LYS 94 10.140 15.321 5.143
566 2HZ LYS 94 2HZ LYS 94 8.918 15.636 4.016
567 3HZ LYS 94 3HZ LYS 94 10.427 16.386 3.859
568 H LYS 95 H LYS 95 12.906 13.766 -1.565
569 HA LYS 95 HA LYS 95 14.492 15.913 -2.587
570 1HB LYS 95 1HB LYS 95 12.033 14.470 -3.411
571 2HB LYS 95 2HB LYS 95 12.311 16.077 -4.048
572 1HG LYS 95 1HG LYS 95 14.517 14.111 -4.185
573 2HG LYS 95 2HG LYS 95 13.167 13.949 -5.311
574 1HD LYS 95 1HD LYS 95 14.184 16.681 -5.065
575 2HD LYS 95 2HD LYS 95 15.373 15.534 -5.686
576 1HE LYS 95 1HE LYS 95 13.567 14.772 -7.302
577 2HE LYS 95 2HE LYS 95 12.668 16.208 -6.812
578 1HZ LYS 95 1HZ LYS 95 15.006 17.303 -7.377
579 2HZ LYS 95 2HZ LYS 95 13.795 17.094 -8.537
580 3HZ LYS 95 3HZ LYS 95 15.070 15.989 -8.441
581 H SER 96 H SER 96 11.008 15.938 -2.172
582 HA SER 96 HA SER 96 11.152 18.631 -1.060
583 1HB SER 96 1HB SER 96 9.402 17.380 -2.850
584 2HB SER 96 2HB SER 96 8.462 17.622 -1.377
585 HG SER 96 HG SER 96 9.113 19.417 -3.209
Start of MODEL 9
1 HA PRO 22 HA PRO 22 2.701 -7.669 4.935
2 1HB PRO 22 1HB PRO 22 4.145 -6.055 3.015
3 2HB PRO 22 2HB PRO 22 3.565 -7.709 2.844
4 1HG PRO 22 1HG PRO 22 2.542 -5.623 1.448
5 2HG PRO 22 2HG PRO 22 1.608 -7.064 1.871
6 1HD PRO 22 1HD PRO 22 1.640 -4.381 3.195
7 2HD PRO 22 2HD PRO 22 0.260 -5.428 2.812
8 H TYR 23 H TYR 23 2.472 -4.271 5.289
9 HA TYR 23 HA TYR 23 5.014 -4.200 6.775
10 1HB TYR 23 1HB TYR 23 3.596 -1.869 5.467
11 2HB TYR 23 2HB TYR 23 5.174 -1.839 6.252
12 HD1 TYR 23 HD1 TYR 23 4.158 -1.246 3.260
13 HD2 TYR 23 HD2 TYR 23 6.287 -4.395 5.173
14 HE1 TYR 23 HE1 TYR 23 5.230 -1.818 1.123
15 HE2 TYR 23 HE2 TYR 23 7.358 -4.972 3.051
16 HH TYR 23 HH TYR 23 7.382 -2.975 0.393
17 H LYS 24 H LYS 24 4.995 -3.268 8.843
18 HA LYS 24 HA LYS 24 2.309 -2.648 9.868
19 1HB LYS 24 1HB LYS 24 4.555 -4.121 11.227
20 2HB LYS 24 2HB LYS 24 3.124 -3.539 12.069
21 1HG LYS 24 1HG LYS 24 3.107 -5.478 9.768
22 2HG LYS 24 2HG LYS 24 2.982 -5.917 11.471
23 1HD LYS 24 1HD LYS 24 1.060 -3.923 10.366
24 2HD LYS 24 2HD LYS 24 0.834 -5.621 9.954
25 1HE LYS 24 1HE LYS 24 1.101 -4.568 12.770
26 2HE LYS 24 2HE LYS 24 -0.437 -4.874 11.967
27 1HZ LYS 24 1HZ LYS 24 0.494 -6.687 13.466
28 2HZ LYS 24 2HZ LYS 24 1.605 -6.995 12.230
29 3HZ LYS 24 3HZ LYS 24 -0.052 -7.157 11.935
30 H THR 25 H THR 25 5.783 -1.874 10.182
31 HA THR 25 HA THR 25 4.951 0.657 11.423
32 HB THR 25 HB THR 25 6.857 0.629 12.857
33 HG1 THR 25 HG1 THR 25 8.576 -0.429 12.339
34 1HG2 THR 25 1HG2 THR 25 5.040 -1.613 12.890
35 2HG2 THR 25 2HG2 THR 25 5.669 -0.643 14.222
36 3HG2 THR 25 3HG2 THR 25 6.600 -2.011 13.611
37 H LYS 26 H LYS 26 7.758 -0.885 9.874
38 HA LYS 26 HA LYS 26 7.899 0.731 7.630
39 1HB LYS 26 1HB LYS 26 8.917 2.031 10.023
40 2HB LYS 26 2HB LYS 26 10.160 1.878 8.792
41 1HG LYS 26 1HG LYS 26 8.944 3.151 7.250
42 2HG LYS 26 2HG LYS 26 7.450 3.004 8.180
43 1HD LYS 26 1HD LYS 26 8.269 5.193 8.561
44 2HD LYS 26 2HD LYS 26 8.608 4.273 10.025
45 1HE LYS 26 1HE LYS 26 10.792 4.066 8.161
46 2HE LYS 26 2HE LYS 26 10.418 5.756 8.485
47 1HZ LYS 26 1HZ LYS 26 11.372 5.586 10.463
48 2HZ LYS 26 2HZ LYS 26 11.870 4.018 10.069
49 3HZ LYS 26 3HZ LYS 26 10.411 4.259 10.889
50 H SER 27 H SER 27 9.987 -0.643 10.152
51 HA SER 27 HA SER 27 12.117 -1.404 8.524
52 1HB SER 27 1HB SER 27 11.146 -2.910 10.960
53 2HB SER 27 2HB SER 27 12.788 -2.852 10.318
54 HG SER 27 HG SER 27 12.756 -1.396 11.954
55 H ASP 28 H ASP 28 8.951 -2.733 8.821
56 HA ASP 28 HA ASP 28 9.490 -5.368 7.928
57 1HB ASP 28 1HB ASP 28 7.038 -3.665 8.138
58 2HB ASP 28 2HB ASP 28 6.965 -5.166 7.219
59 H LEU 29 H LEU 29 9.598 -2.395 6.317
60 HA LEU 29 HA LEU 29 8.633 -3.006 3.779
61 1HB LEU 29 1HB LEU 29 10.824 -1.153 4.683
62 2HB LEU 29 2HB LEU 29 10.256 -1.228 3.023
63 HG LEU 29 HG LEU 29 8.551 -0.513 5.407
64 1HD1 LEU 29 1HD1 LEU 29 9.065 1.448 3.284
65 2HD1 LEU 29 2HD1 LEU 29 10.449 1.061 4.310
66 3HD1 LEU 29 3HD1 LEU 29 8.949 1.659 5.031
67 1HD2 LEU 29 1HD2 LEU 29 6.957 0.201 3.608
68 2HD2 LEU 29 2HD2 LEU 29 7.189 -1.539 3.766
69 3HD2 LEU 29 3HD2 LEU 29 7.982 -0.662 2.462
70 HA PRO 30 HA PRO 30 11.542 -5.634 1.810
71 1HB PRO 30 1HB PRO 30 11.816 -3.810 -0.472
72 2HB PRO 30 2HB PRO 30 11.116 -5.419 -0.415
73 1HG PRO 30 1HG PRO 30 9.598 -3.255 -0.740
74 2HG PRO 30 2HG PRO 30 9.054 -4.631 0.221
75 1HD PRO 30 1HD PRO 30 10.209 -2.032 1.154
76 2HD PRO 30 2HD PRO 30 8.806 -2.924 1.770
77 H GLU 31 H GLU 31 13.660 -6.031 1.804
78 HA GLU 31 HA GLU 31 15.521 -4.322 2.896
79 1HB GLU 31 1HB GLU 31 17.257 -5.823 1.955
80 2HB GLU 31 2HB GLU 31 15.940 -6.699 2.721
81 1HG GLU 31 1HG GLU 31 15.073 -6.608 0.159
82 2HG GLU 31 2HG GLU 31 16.818 -6.675 -0.074
83 H SER 32 H SER 32 15.081 -4.978 -0.596
84 HA SER 32 HA SER 32 17.006 -3.189 -1.534
85 1HB SER 32 1HB SER 32 15.611 -4.957 -2.798
86 2HB SER 32 2HB SER 32 14.437 -3.664 -3.014
87 HG SER 32 HG SER 32 16.017 -3.872 -4.731
88 H VAL 33 H VAL 33 14.104 -2.565 0.057
89 HA VAL 33 HA VAL 33 13.793 0.111 -1.070
90 HB VAL 33 HB VAL 33 12.098 -1.397 0.940
91 1HG1 VAL 33 1HG1 VAL 33 12.228 1.319 0.632
92 2HG1 VAL 33 2HG1 VAL 33 10.836 0.430 1.245
93 3HG1 VAL 33 3HG1 VAL 33 10.915 0.881 -0.458
94 1HG2 VAL 33 1HG2 VAL 33 12.216 -2.203 -1.485
95 2HG2 VAL 33 2HG2 VAL 33 11.355 -0.713 -1.885
96 3HG2 VAL 33 3HG2 VAL 33 10.622 -1.890 -0.800
97 H LYS 34 H LYS 34 14.033 -1.440 2.126
98 HA LYS 34 HA LYS 34 14.533 0.917 3.587
99 1HB LYS 34 1HB LYS 34 15.413 -1.908 4.233
100 2HB LYS 34 2HB LYS 34 15.237 -0.583 5.378
101 1HG LYS 34 1HG LYS 34 12.867 -0.578 5.121
102 2HG LYS 34 2HG LYS 34 12.955 -1.715 3.776
103 1HD LYS 34 1HD LYS 34 13.714 -2.271 6.645
104 2HD LYS 34 2HD LYS 34 12.271 -2.853 5.816
105 1HE LYS 34 1HE LYS 34 13.496 -4.315 4.462
106 2HE LYS 34 2HE LYS 34 15.012 -3.477 4.769
107 1HZ LYS 34 1HZ LYS 34 14.055 -5.705 6.072
108 2HZ LYS 34 2HZ LYS 34 13.905 -4.444 7.189
109 3HZ LYS 34 3HZ LYS 34 15.409 -4.780 6.493
110 H HIS 35 H HIS 35 16.592 -1.225 1.752
111 HA HIS 35 HA HIS 35 19.070 -0.214 2.841
112 1HB HIS 35 1HB HIS 35 18.262 -2.419 1.165
113 2HB HIS 35 2HB HIS 35 19.629 -1.584 0.450
114 HD2 HIS 35 HD2 HIS 35 19.180 -2.238 4.313
115 HE1 HIS 35 HE1 HIS 35 22.642 -4.273 2.941
116 HE2 HIS 35 HE2 HIS 35 21.276 -3.614 4.954
117 H VAL 36 H VAL 36 17.013 1.426 1.196
118 HA VAL 36 HA VAL 36 19.028 2.921 -0.297
119 HB VAL 36 HB VAL 36 17.404 3.143 -2.216
120 1HG1 VAL 36 1HG1 VAL 36 19.384 1.346 -1.821
121 2HG1 VAL 36 2HG1 VAL 36 18.465 1.477 -3.320
122 3HG1 VAL 36 3HG1 VAL 36 18.027 0.261 -2.123
123 1HG2 VAL 36 1HG2 VAL 36 15.383 2.417 -1.117
124 2HG2 VAL 36 2HG2 VAL 36 16.090 0.831 -0.785
125 3HG2 VAL 36 3HG2 VAL 36 15.741 1.316 -2.451
126 H LEU 37 H LEU 37 15.895 2.696 1.254
127 HA LEU 37 HA LEU 37 15.289 5.488 0.889
128 1HB LEU 37 1HB LEU 37 13.898 3.114 1.830
129 2HB LEU 37 2HB LEU 37 13.608 4.499 2.861
130 HG LEU 37 HG LEU 37 12.366 5.576 1.307
131 1HD1 LEU 37 1HD1 LEU 37 13.830 6.125 -0.364
132 2HD1 LEU 37 2HD1 LEU 37 12.705 5.064 -1.219
133 3HD1 LEU 37 3HD1 LEU 37 14.265 4.444 -0.678
134 1HD2 LEU 37 1HD2 LEU 37 11.944 3.119 -0.230
135 2HD2 LEU 37 2HD2 LEU 37 10.789 4.157 0.602
136 3HD2 LEU 37 3HD2 LEU 37 11.736 2.986 1.516
137 HA PRO 38 HA PRO 38 17.658 7.071 4.193
138 1HB PRO 38 1HB PRO 38 15.542 9.174 4.061
139 2HB PRO 38 2HB PRO 38 17.299 9.343 3.996
140 1HG PRO 38 1HG PRO 38 15.916 9.564 1.773
141 2HG PRO 38 2HG PRO 38 17.388 8.581 1.774
142 1HD PRO 38 1HD PRO 38 14.529 7.690 1.967
143 2HD PRO 38 2HD PRO 38 15.831 7.084 0.921
144 H SER 39 H SER 39 14.779 8.663 5.312
145 HA SER 39 HA SER 39 14.550 6.715 7.500
146 1HB SER 39 1HB SER 39 14.604 9.734 7.723
147 2HB SER 39 2HB SER 39 14.181 8.645 9.047
148 HG SER 39 HG SER 39 16.292 7.692 8.742
149 H HIS 40 H HIS 40 12.863 9.765 6.790
150 HA HIS 40 HA HIS 40 10.336 8.646 7.407
151 1HB HIS 40 1HB HIS 40 10.888 11.055 7.658
152 2HB HIS 40 2HB HIS 40 10.886 11.201 5.902
153 HD2 HIS 40 HD2 HIS 40 8.617 12.672 5.577
154 HE1 HIS 40 HE1 HIS 40 5.981 10.097 7.673
155 HE2 HIS 40 HE2 HIS 40 6.163 12.108 6.163
156 H ALA 41 H ALA 41 12.210 8.250 4.668
157 HA ALA 41 HA ALA 41 10.205 8.378 2.659
158 1HB ALA 41 1HB ALA 41 12.737 6.740 2.602
159 2HB ALA 41 2HB ALA 41 12.659 8.456 2.226
160 3HB ALA 41 3HB ALA 41 11.791 7.303 1.224
161 H GLN 42 H GLN 42 11.289 5.923 4.888
162 HA GLN 42 HA GLN 42 9.936 3.742 3.642
163 1HB GLN 42 1HB GLN 42 10.816 4.036 6.522
164 2HB GLN 42 2HB GLN 42 10.453 2.535 5.693
165 1HG GLN 42 1HG GLN 42 12.494 2.400 4.850
166 2HG GLN 42 2HG GLN 42 12.410 4.061 4.247
167 1HE2 GLN 42 1HE2 GLN 42 14.739 3.912 4.840
168 2HE2 GLN 42 2HE2 GLN 42 15.183 4.335 6.454
169 H ASP 43 H ASP 43 9.154 6.089 6.151
170 HA ASP 43 HA ASP 43 6.660 4.989 6.938
171 1HB ASP 43 1HB ASP 43 8.020 6.934 8.026
172 2HB ASP 43 2HB ASP 43 7.227 7.954 6.833
173 H ILE 44 H ILE 44 7.686 7.339 4.558
174 HA ILE 44 HA ILE 44 5.216 7.997 3.408
175 HB ILE 44 HB ILE 44 8.022 7.894 2.275
176 1HG1 ILE 44 1HG1 ILE 44 6.244 10.147 3.229
177 2HG1 ILE 44 2HG1 ILE 44 7.661 9.521 4.054
178 1HG2 ILE 44 1HG2 ILE 44 6.461 9.682 0.750
179 2HG2 ILE 44 2HG2 ILE 44 5.529 8.191 0.853
180 3HG2 ILE 44 3HG2 ILE 44 7.174 8.158 0.221
181 1HD1 ILE 44 1HD1 ILE 44 8.815 10.169 1.771
182 2HD1 ILE 44 2HD1 ILE 44 8.579 11.339 3.072
183 3HD1 ILE 44 3HD1 ILE 44 7.466 11.296 1.708
184 H TYR 45 H TYR 45 7.682 5.692 2.384
185 HA TYR 45 HA TYR 45 6.350 4.507 0.274
186 1HB TYR 45 1HB TYR 45 8.732 4.165 0.797
187 2HB TYR 45 2HB TYR 45 8.262 3.203 2.187
188 HD1 TYR 45 HD1 TYR 45 7.036 1.054 1.828
189 HD2 TYR 45 HD2 TYR 45 8.834 3.202 -1.359
190 HE1 TYR 45 HE1 TYR 45 6.960 -0.970 0.431
191 HE2 TYR 45 HE2 TYR 45 8.767 1.204 -2.764
192 HH TYR 45 HH TYR 45 7.025 -1.637 -1.834
193 H LYS 46 H LYS 46 6.534 3.328 3.636
194 HA LYS 46 HA LYS 46 4.794 1.172 3.314
195 1HB LYS 46 1HB LYS 46 6.219 1.324 5.246
196 2HB LYS 46 2HB LYS 46 5.453 2.823 5.754
197 1HG LYS 46 1HG LYS 46 3.348 1.592 6.105
198 2HG LYS 46 2HG LYS 46 4.182 0.096 5.683
199 1HD LYS 46 1HD LYS 46 4.880 -0.109 7.783
200 2HD LYS 46 2HD LYS 46 5.721 1.436 7.657
201 1HE LYS 46 1HE LYS 46 2.846 1.013 8.459
202 2HE LYS 46 2HE LYS 46 4.174 1.472 9.523
203 1HZ LYS 46 1HZ LYS 46 2.494 3.167 8.163
204 2HZ LYS 46 2HZ LYS 46 3.956 3.255 7.317
205 3HZ LYS 46 3HZ LYS 46 3.918 3.593 8.975
206 H GLU 47 H GLU 47 4.101 4.463 4.513
207 HA GLU 47 HA GLU 47 1.360 4.075 4.955
208 1HB GLU 47 1HB GLU 47 2.941 6.548 4.327
209 2HB GLU 47 2HB GLU 47 1.216 6.579 4.656
210 1HG GLU 47 1HG GLU 47 2.011 5.208 6.788
211 2HG GLU 47 2HG GLU 47 3.482 6.126 6.483
212 H ALA 48 H ALA 48 3.125 5.067 2.091
213 HA ALA 48 HA ALA 48 0.785 5.585 0.539
214 1HB ALA 48 1HB ALA 48 3.692 5.286 -0.114
215 2HB ALA 48 2HB ALA 48 2.673 6.723 -0.214
216 3HB ALA 48 3HB ALA 48 2.480 5.421 -1.388
217 H PHE 49 H PHE 49 2.992 2.883 0.952
218 HA PHE 49 HA PHE 49 1.919 1.193 -1.017
219 1HB PHE 49 1HB PHE 49 4.070 0.701 -0.013
220 2HB PHE 49 2HB PHE 49 3.336 0.551 1.573
221 HD1 PHE 49 HD1 PHE 49 1.606 -1.339 1.876
222 HD2 PHE 49 HD2 PHE 49 4.338 -1.136 -1.381
223 HE1 PHE 49 HE1 PHE 49 1.274 -3.741 1.446
224 HE2 PHE 49 HE2 PHE 49 4.008 -3.536 -1.806
225 HZ PHE 49 HZ PHE 49 2.470 -4.838 -0.394
226 H ASN 50 H ASN 50 1.257 1.433 2.481
227 HA ASN 50 HA ASN 50 -0.699 -0.544 2.638
228 1HB ASN 50 1HB ASN 50 0.229 1.679 4.293
229 2HB ASN 50 2HB ASN 50 -1.488 1.350 4.496
230 1HD2 ASN 50 1HD2 ASN 50 1.714 -0.099 4.594
231 2HD2 ASN 50 2HD2 ASN 50 1.309 -1.361 5.704
232 H SER 51 H SER 51 -1.003 2.925 1.923
233 HA SER 51 HA SER 51 -3.784 3.094 1.840
234 1HB SER 51 1HB SER 51 -1.840 4.903 1.500
235 2HB SER 51 2HB SER 51 -2.238 4.628 -0.193
236 HG SER 51 HG SER 51 -4.500 4.906 1.222
237 H ALA 52 H ALA 52 -1.480 2.247 -0.717
238 HA ALA 52 HA ALA 52 -3.471 1.834 -2.715
239 1HB ALA 52 1HB ALA 52 -1.081 0.270 -3.136
240 2HB ALA 52 2HB ALA 52 -0.689 1.921 -2.664
241 3HB ALA 52 3HB ALA 52 -1.714 1.624 -4.068
242 H TRP 53 H TRP 53 -2.024 -0.101 -0.212
243 HA TRP 53 HA TRP 53 -2.867 -2.650 -1.126
244 1HB TRP 53 1HB TRP 53 -1.148 -2.673 0.478
245 2HB TRP 53 2HB TRP 53 -1.958 -1.508 1.509
246 HD1 TRP 53 HD1 TRP 53 -1.588 -5.204 0.905
247 HE1 TRP 53 HE1 TRP 53 -2.872 -6.509 2.709
248 HE3 TRP 53 HE3 TRP 53 -4.120 -1.328 3.062
249 HZ2 TRP 53 HZ2 TRP 53 -4.717 -5.969 4.773
250 HZ3 TRP 53 HZ3 TRP 53 -5.625 -1.807 4.947
251 HH2 TRP 53 HH2 TRP 53 -5.913 -4.081 5.785
252 H ASP 54 H ASP 54 -4.220 -0.417 1.325
253 HA ASP 54 HA ASP 54 -6.588 -1.929 1.731
254 1HB ASP 54 1HB ASP 54 -5.590 -0.185 3.304
255 2HB ASP 54 2HB ASP 54 -6.267 1.035 2.228
256 H GLN 55 H GLN 55 -5.667 0.668 -0.414
257 HA GLN 55 HA GLN 55 -8.268 1.268 -1.363
258 1HB GLN 55 1HB GLN 55 -5.493 1.829 -2.328
259 2HB GLN 55 2HB GLN 55 -6.849 2.125 -3.406
260 1HG GLN 55 1HG GLN 55 -7.746 3.388 -1.227
261 2HG GLN 55 2HG GLN 55 -6.013 3.566 -0.972
262 1HE2 GLN 55 1HE2 GLN 55 -4.770 4.648 -2.562
263 2HE2 GLN 55 2HE2 GLN 55 -5.506 5.783 -3.638
264 H TYR 56 H TYR 56 -5.956 -1.149 -2.059
265 HA TYR 56 HA TYR 56 -6.942 -1.967 -4.594
266 1HB TYR 56 1HB TYR 56 -4.706 -2.527 -3.128
267 2HB TYR 56 2HB TYR 56 -5.620 -4.012 -2.945
268 HD1 TYR 56 HD1 TYR 56 -4.319 -1.668 -5.506
269 HD2 TYR 56 HD2 TYR 56 -5.612 -5.614 -4.615
270 HE1 TYR 56 HE1 TYR 56 -3.546 -2.412 -7.712
271 HE2 TYR 56 HE2 TYR 56 -4.847 -6.371 -6.814
272 HH TYR 56 HH TYR 56 -2.782 -5.049 -8.612
273 H LYS 57 H LYS 57 -9.237 -1.720 -3.350
274 HA LYS 57 HA LYS 57 -10.068 -4.177 -2.077
275 1HB LYS 57 1HB LYS 57 -11.047 -1.498 -2.288
276 2HB LYS 57 2HB LYS 57 -12.317 -2.609 -2.777
277 1HG LYS 57 1HG LYS 57 -10.959 -3.486 -0.369
278 2HG LYS 57 2HG LYS 57 -11.671 -1.881 -0.194
279 1HD LYS 57 1HD LYS 57 -13.686 -2.790 0.042
280 2HD LYS 57 2HD LYS 57 -13.544 -3.539 -1.549
281 1HE LYS 57 1HE LYS 57 -13.988 -5.209 0.171
282 2HE LYS 57 2HE LYS 57 -12.401 -5.452 -0.557
283 1HZ LYS 57 1HZ LYS 57 -12.945 -5.256 2.114
284 2HZ LYS 57 2HZ LYS 57 -12.279 -3.750 1.733
285 3HZ LYS 57 3HZ LYS 57 -11.415 -5.164 1.399
286 H ASP 58 H ASP 58 -9.400 -3.459 -5.156
287 HA ASP 58 HA ASP 58 -11.681 -4.431 -6.555
288 1HB ASP 58 1HB ASP 58 -9.716 -2.952 -7.402
289 2HB ASP 58 2HB ASP 58 -8.889 -4.483 -7.660
290 H LYS 59 H LYS 59 -8.509 -5.859 -5.791
291 HA LYS 59 HA LYS 59 -9.633 -8.478 -5.495
292 1HB LYS 59 1HB LYS 59 -9.300 -7.933 -8.060
293 2HB LYS 59 2HB LYS 59 -7.625 -8.306 -7.679
294 1HG LYS 59 1HG LYS 59 -8.028 -10.482 -7.729
295 2HG LYS 59 2HG LYS 59 -9.344 -10.300 -6.587
296 1HD LYS 59 1HD LYS 59 -10.319 -9.320 -9.020
297 2HD LYS 59 2HD LYS 59 -9.457 -10.812 -9.404
298 1HE LYS 59 1HE LYS 59 -10.731 -11.913 -7.546
299 2HE LYS 59 2HE LYS 59 -11.699 -10.446 -7.427
300 1HZ LYS 59 1HZ LYS 59 -11.521 -12.324 -9.712
301 2HZ LYS 59 2HZ LYS 59 -12.224 -10.790 -9.843
302 3HZ LYS 59 3HZ LYS 59 -12.886 -11.935 -8.788
303 H GLU 60 H GLU 60 -8.293 -7.113 -3.674
304 HA GLU 60 HA GLU 60 -5.472 -7.552 -3.743
305 1HB GLU 60 1HB GLU 60 -5.528 -6.763 -1.378
306 2HB GLU 60 2HB GLU 60 -6.232 -5.655 -2.539
307 1HG GLU 60 1HG GLU 60 -8.475 -6.451 -1.889
308 2HG GLU 60 2HG GLU 60 -7.722 -7.481 -0.674
309 H ASP 61 H ASP 61 -8.074 -8.982 -1.754
310 HA ASP 61 HA ASP 61 -6.167 -11.102 -1.041
311 1HB ASP 61 1HB ASP 61 -7.628 -9.603 0.649
312 2HB ASP 61 2HB ASP 61 -8.755 -10.930 0.387
313 H ARG 62 H ARG 62 -7.396 -11.150 -3.568
314 HA ARG 62 HA ARG 62 -9.335 -13.332 -3.280
315 1HB ARG 62 1HB ARG 62 -8.816 -11.797 -5.811
316 2HB ARG 62 2HB ARG 62 -10.238 -12.735 -5.372
317 1HG ARG 62 1HG ARG 62 -9.376 -10.176 -4.029
318 2HG ARG 62 2HG ARG 62 -10.616 -10.295 -5.283
319 1HD ARG 62 1HD ARG 62 -10.672 -11.430 -2.499
320 2HD ARG 62 2HD ARG 62 -11.774 -10.260 -3.224
321 HE ARG 62 HE ARG 62 -11.937 -13.103 -3.396
322 1HH1 ARG 62 1HH1 ARG 62 -12.639 -10.147 -5.116
323 2HH1 ARG 62 2HH1 ARG 62 -13.914 -10.848 -6.055
324 1HH2 ARG 62 1HH2 ARG 62 -13.616 -14.026 -4.629
325 2HH2 ARG 62 2HH2 ARG 62 -14.469 -13.051 -5.779
326 H ARG 63 H ARG 63 -7.993 -13.151 -6.417
327 HA ARG 63 HA ARG 63 -6.518 -15.616 -5.890
328 1HB ARG 63 1HB ARG 63 -6.636 -16.006 -8.291
329 2HB ARG 63 2HB ARG 63 -8.236 -15.684 -7.641
330 1HG ARG 63 1HG ARG 63 -7.917 -13.291 -8.403
331 2HG ARG 63 2HG ARG 63 -6.504 -13.870 -9.289
332 1HD ARG 63 1HD ARG 63 -9.326 -14.887 -9.615
333 2HD ARG 63 2HD ARG 63 -8.505 -13.774 -10.708
334 HE ARG 63 HE ARG 63 -6.839 -15.885 -10.675
335 1HH1 ARG 63 1HH1 ARG 63 -10.285 -15.625 -11.168
336 2HH1 ARG 63 2HH1 ARG 63 -10.366 -17.003 -12.211
337 1HH2 ARG 63 1HH2 ARG 63 -6.942 -17.695 -12.050
338 2HH2 ARG 63 2HH2 ARG 63 -8.467 -18.179 -12.713
339 H ASP 64 H ASP 64 -6.097 -12.382 -7.224
340 HA ASP 64 HA ASP 64 -3.234 -12.945 -7.560
341 1HB ASP 64 1HB ASP 64 -3.153 -11.140 -9.137
342 2HB ASP 64 2HB ASP 64 -4.536 -12.155 -9.538
343 H ASP 65 H ASP 65 -3.653 -12.698 -5.016
344 HA ASP 65 HA ASP 65 -3.841 -10.157 -3.873
345 1HB ASP 65 1HB ASP 65 -2.440 -11.278 -1.986
346 2HB ASP 65 2HB ASP 65 -4.051 -11.895 -2.335
347 H ALA 66 H ALA 66 -1.020 -11.921 -5.043
348 HA ALA 66 HA ALA 66 0.999 -10.249 -4.113
349 1HB ALA 66 1HB ALA 66 1.268 -11.264 -6.882
350 2HB ALA 66 2HB ALA 66 1.052 -12.453 -5.596
351 3HB ALA 66 3HB ALA 66 2.408 -11.323 -5.540
352 H SER 67 H SER 67 -1.044 -9.954 -6.976
353 HA SER 67 HA SER 67 0.164 -7.798 -8.230
354 1HB SER 67 1HB SER 67 -1.889 -9.211 -8.933
355 2HB SER 67 2HB SER 67 -2.822 -8.024 -8.028
356 HG SER 67 HG SER 67 -1.615 -6.438 -9.385
357 H ARG 68 H ARG 68 -2.186 -7.866 -5.589
358 HA ARG 68 HA ARG 68 -2.577 -5.112 -5.305
359 1HB ARG 68 1HB ARG 68 -3.960 -6.733 -4.102
360 2HB ARG 68 2HB ARG 68 -2.550 -7.278 -3.188
361 1HG ARG 68 1HG ARG 68 -3.222 -4.399 -3.041
362 2HG ARG 68 2HG ARG 68 -4.290 -5.532 -2.217
363 1HD ARG 68 1HD ARG 68 -1.304 -5.354 -1.834
364 2HD ARG 68 2HD ARG 68 -2.517 -4.687 -0.745
365 HE ARG 68 HE ARG 68 -3.267 -7.210 -0.733
366 1HH1 ARG 68 1HH1 ARG 68 -0.040 -5.886 -0.563
367 2HH1 ARG 68 2HH1 ARG 68 0.606 -7.245 0.290
368 1HH2 ARG 68 1HH2 ARG 68 -2.414 -8.990 0.416
369 2HH2 ARG 68 2HH2 ARG 68 -0.739 -8.997 0.853
370 H GLU 69 H GLU 69 -0.436 -7.226 -3.398
371 HA GLU 69 HA GLU 69 1.031 -5.327 -2.068
372 1HB GLU 69 1HB GLU 69 1.217 -7.768 -1.714
373 2HB GLU 69 2HB GLU 69 2.060 -7.923 -3.248
374 1HG GLU 69 1HG GLU 69 3.932 -6.712 -2.417
375 2HG GLU 69 2HG GLU 69 3.054 -6.264 -0.961
376 H GLU 70 H GLU 70 1.630 -6.712 -5.278
377 HA GLU 70 HA GLU 70 3.923 -5.347 -5.991
378 1HB GLU 70 1HB GLU 70 2.729 -7.156 -7.296
379 2HB GLU 70 2HB GLU 70 1.613 -5.921 -7.849
380 1HG GLU 70 1HG GLU 70 3.119 -6.054 -9.584
381 2HG GLU 70 2HG GLU 70 3.731 -4.689 -8.651
382 H THR 71 H THR 71 0.584 -4.406 -6.826
383 HA THR 71 HA THR 71 1.129 -1.919 -7.892
384 HB THR 71 HB THR 71 -1.258 -2.705 -6.219
385 HG1 THR 71 HG1 THR 71 -1.313 -3.935 -7.995
386 1HG2 THR 71 1HG2 THR 71 -2.363 -0.890 -7.659
387 2HG2 THR 71 2HG2 THR 71 -0.720 -0.281 -7.882
388 3HG2 THR 71 3HG2 THR 71 -1.408 -0.394 -6.259
389 H ALA 72 H ALA 72 0.422 -2.657 -4.474
390 HA ALA 72 HA ALA 72 0.628 -0.098 -3.461
391 1HB ALA 72 1HB ALA 72 1.305 -1.182 -1.326
392 2HB ALA 72 2HB ALA 72 1.445 -2.709 -2.196
393 3HB ALA 72 3HB ALA 72 -0.118 -1.904 -2.067
394 H HIS 73 H HIS 73 3.171 -2.451 -4.148
395 HA HIS 73 HA HIS 73 5.388 -1.024 -3.211
396 1HB HIS 73 1HB HIS 73 5.028 -3.015 -5.436
397 2HB HIS 73 2HB HIS 73 6.560 -2.182 -5.265
398 HD2 HIS 73 HD2 HIS 73 4.505 -4.994 -3.532
399 HE1 HIS 73 HE1 HIS 73 8.291 -4.724 -1.637
400 HE2 HIS 73 HE2 HIS 73 6.111 -5.980 -1.764
401 H LYS 74 H LYS 74 3.816 -1.003 -6.389
402 HA LYS 74 HA LYS 74 5.381 0.931 -7.635
403 1HB LYS 74 1HB LYS 74 2.538 0.026 -8.045
404 2HB LYS 74 2HB LYS 74 3.266 1.274 -9.050
405 1HG LYS 74 1HG LYS 74 3.998 -0.356 -10.355
406 2HG LYS 74 2HG LYS 74 5.133 -0.763 -9.074
407 1HD LYS 74 1HD LYS 74 4.165 -2.774 -9.049
408 2HD LYS 74 2HD LYS 74 2.806 -1.980 -8.260
409 1HE LYS 74 1HE LYS 74 1.742 -3.021 -10.010
410 2HE LYS 74 2HE LYS 74 2.082 -1.443 -10.719
411 1HZ LYS 74 1HZ LYS 74 2.731 -3.782 -11.849
412 2HZ LYS 74 2HZ LYS 74 4.179 -3.406 -11.061
413 3HZ LYS 74 3HZ LYS 74 3.517 -2.320 -12.178
414 H VAL 75 H VAL 75 2.372 1.272 -5.821
415 HA VAL 75 HA VAL 75 2.082 4.046 -6.180
416 HB VAL 75 HB VAL 75 1.095 2.361 -3.878
417 1HG1 VAL 75 1HG1 VAL 75 0.711 4.506 -3.140
418 2HG1 VAL 75 2HG1 VAL 75 -0.762 4.212 -4.064
419 3HG1 VAL 75 3HG1 VAL 75 0.549 5.155 -4.772
420 1HG2 VAL 75 1HG2 VAL 75 -0.082 1.332 -5.466
421 2HG2 VAL 75 2HG2 VAL 75 0.371 2.527 -6.684
422 3HG2 VAL 75 3HG2 VAL 75 -0.996 2.836 -5.609
423 H ALA 76 H ALA 76 3.214 2.267 -3.306
424 HA ALA 76 HA ALA 76 3.991 4.349 -1.727
425 1HB ALA 76 1HB ALA 76 4.140 2.289 -0.722
426 2HB ALA 76 2HB ALA 76 5.837 2.720 -0.933
427 3HB ALA 76 3HB ALA 76 5.069 1.589 -2.048
428 H TRP 77 H TRP 77 5.966 2.808 -4.229
429 HA TRP 77 HA TRP 77 8.255 4.400 -3.848
430 1HB TRP 77 1HB TRP 77 7.222 2.738 -6.084
431 2HB TRP 77 2HB TRP 77 8.453 3.935 -6.479
432 HD1 TRP 77 HD1 TRP 77 8.178 0.488 -5.476
433 HE1 TRP 77 HE1 TRP 77 10.372 -0.420 -4.490
434 HE3 TRP 77 HE3 TRP 77 10.561 4.920 -4.674
435 HZ2 TRP 77 HZ2 TRP 77 12.801 0.624 -3.491
436 HZ3 TRP 77 HZ3 TRP 77 12.816 4.886 -3.692
437 HH2 TRP 77 HH2 TRP 77 13.913 2.782 -3.115
438 H ALA 78 H ALA 78 5.355 4.873 -5.801
439 HA ALA 78 HA ALA 78 6.039 7.163 -7.192
440 1HB ALA 78 1HB ALA 78 3.860 5.799 -7.261
441 2HB ALA 78 2HB ALA 78 3.746 7.542 -7.503
442 3HB ALA 78 3HB ALA 78 3.327 6.840 -5.942
443 H ALA 79 H ALA 79 4.790 6.860 -3.886
444 HA ALA 79 HA ALA 79 4.757 9.622 -3.291
445 1HB ALA 79 1HB ALA 79 4.937 8.595 -0.875
446 2HB ALA 79 2HB ALA 79 4.604 7.089 -1.729
447 3HB ALA 79 3HB ALA 79 3.460 8.430 -1.820
448 H VAL 80 H VAL 80 7.074 7.012 -2.766
449 HA VAL 80 HA VAL 80 9.008 8.461 -1.395
450 HB VAL 80 HB VAL 80 9.355 6.068 -3.232
451 1HG1 VAL 80 1HG1 VAL 80 11.345 7.714 -2.291
452 2HG1 VAL 80 2HG1 VAL 80 11.539 6.021 -2.733
453 3HG1 VAL 80 3HG1 VAL 80 11.263 6.466 -1.052
454 1HG2 VAL 80 1HG2 VAL 80 9.224 4.750 -1.254
455 2HG2 VAL 80 2HG2 VAL 80 7.828 5.824 -1.253
456 3HG2 VAL 80 3HG2 VAL 80 9.211 6.176 -0.219
457 H LYS 81 H LYS 81 8.640 7.898 -4.917
458 HA LYS 81 HA LYS 81 10.948 9.374 -5.623
459 1HB LYS 81 1HB LYS 81 8.496 8.546 -7.172
460 2HB LYS 81 2HB LYS 81 9.826 9.430 -7.906
461 1HG LYS 81 1HG LYS 81 11.347 7.596 -7.219
462 2HG LYS 81 2HG LYS 81 9.939 6.695 -6.659
463 1HD LYS 81 1HD LYS 81 9.051 7.127 -9.070
464 2HD LYS 81 2HD LYS 81 10.752 7.416 -9.446
465 1HE LYS 81 1HE LYS 81 11.101 5.147 -8.188
466 2HE LYS 81 2HE LYS 81 9.398 4.905 -8.566
467 1HZ LYS 81 1HZ LYS 81 10.125 5.527 -10.942
468 2HZ LYS 81 2HZ LYS 81 10.471 3.974 -10.367
469 3HZ LYS 81 3HZ LYS 81 11.685 5.150 -10.406
470 H HIS 82 H HIS 82 7.918 10.363 -4.489
471 HA HIS 82 HA HIS 82 7.937 12.936 -5.840
472 1HB HIS 82 1HB HIS 82 5.815 11.677 -5.275
473 2HB HIS 82 2HB HIS 82 6.127 12.060 -3.585
474 HD2 HIS 82 HD2 HIS 82 5.417 14.604 -2.806
475 HE1 HIS 82 HE1 HIS 82 4.178 15.969 -6.628
476 HE2 HIS 82 HE2 HIS 82 4.198 16.445 -4.153
477 H GLU 83 H GLU 83 8.297 11.689 -2.548
478 HA GLU 83 HA GLU 83 9.206 14.303 -1.609
479 1HB GLU 83 1HB GLU 83 9.063 11.956 0.209
480 2HB GLU 83 2HB GLU 83 8.637 13.635 0.504
481 1HG GLU 83 1HG GLU 83 6.766 12.938 -1.327
482 2HG GLU 83 2HG GLU 83 6.996 11.412 -0.477
483 H TYR 84 H TYR 84 10.483 11.367 -2.693
484 HA TYR 84 HA TYR 84 13.131 12.122 -1.675
485 1HB TYR 84 1HB TYR 84 11.833 9.409 -1.624
486 2HB TYR 84 2HB TYR 84 13.583 9.583 -1.597
487 HD1 TYR 84 HD1 TYR 84 14.716 10.266 0.383
488 HD2 TYR 84 HD2 TYR 84 10.468 10.324 0.236
489 HE1 TYR 84 HE1 TYR 84 14.648 10.634 2.814
490 HE2 TYR 84 HE2 TYR 84 10.393 10.695 2.672
491 HH TYR 84 HH TYR 84 12.641 11.815 4.443
492 H ALA 85 H ALA 85 14.901 11.610 -2.965
493 HA ALA 85 HA ALA 85 14.265 10.895 -5.757
494 1HB ALA 85 1HB ALA 85 16.479 12.398 -6.060
495 2HB ALA 85 2HB ALA 85 15.769 13.179 -4.645
496 3HB ALA 85 3HB ALA 85 14.841 13.049 -6.140
497 H LYS 86 H LYS 86 15.767 9.621 -6.874
498 HA LYS 86 HA LYS 86 17.649 8.190 -5.143
499 1HB LYS 86 1HB LYS 86 15.905 6.963 -6.548
500 2HB LYS 86 2HB LYS 86 16.874 7.403 -7.941
501 1HG LYS 86 1HG LYS 86 18.756 6.173 -7.076
502 2HG LYS 86 2HG LYS 86 17.878 5.817 -5.588
503 1HD LYS 86 1HD LYS 86 17.239 3.923 -6.594
504 2HD LYS 86 2HD LYS 86 16.165 4.937 -7.560
505 1HE LYS 86 1HE LYS 86 18.427 5.234 -8.962
506 2HE LYS 86 2HE LYS 86 18.718 3.633 -8.284
507 1HZ LYS 86 1HZ LYS 86 16.081 4.042 -9.415
508 2HZ LYS 86 2HZ LYS 86 17.125 2.718 -9.550
509 3HZ LYS 86 3HZ LYS 86 17.352 4.076 -10.532
510 H GLY 87 H GLY 87 19.749 8.707 -5.225
511 1HA GLY 87 1HA GLY 87 20.764 10.404 -7.309
512 2HA GLY 87 2HA GLY 87 21.678 9.739 -5.963
513 H ASP 88 H ASP 88 23.379 9.397 -7.598
514 HA ASP 88 HA ASP 88 22.836 7.277 -9.523
515 1HB ASP 88 1HB ASP 88 25.223 7.755 -10.239
516 2HB ASP 88 2HB ASP 88 24.074 9.074 -10.452
517 H ASP 89 H ASP 89 22.795 6.537 -6.745
518 HA ASP 89 HA ASP 89 24.984 4.579 -6.780
519 1HB ASP 89 1HB ASP 89 24.140 6.298 -4.465
520 2HB ASP 89 2HB ASP 89 25.061 4.812 -4.290
521 H ASP 90 H ASP 90 21.845 4.891 -7.014
522 HA ASP 90 HA ASP 90 20.081 3.472 -6.834
523 1HB ASP 90 1HB ASP 90 21.846 1.685 -7.132
524 2HB ASP 90 2HB ASP 90 21.864 1.580 -5.386
525 H LYS 91 H LYS 91 20.791 5.461 -4.892
526 HA LYS 91 HA LYS 91 19.315 4.368 -2.602
527 1HB LYS 91 1HB LYS 91 21.738 6.163 -2.519
528 2HB LYS 91 2HB LYS 91 20.698 5.864 -1.143
529 1HG LYS 91 1HG LYS 91 21.247 3.505 -1.200
530 2HG LYS 91 2HG LYS 91 22.235 3.760 -2.644
531 1HD LYS 91 1HD LYS 91 22.739 5.131 0.000
532 2HD LYS 91 2HD LYS 91 23.522 3.606 -0.492
533 1HE LYS 91 1HE LYS 91 23.968 5.171 -2.668
534 2HE LYS 91 2HE LYS 91 24.010 6.372 -1.380
535 1HZ LYS 91 1HZ LYS 91 26.109 5.734 -1.101
536 2HZ LYS 91 2HZ LYS 91 25.918 4.339 -2.039
537 3HZ LYS 91 3HZ LYS 91 25.502 4.321 -0.400
538 H TRP 92 H TRP 92 18.171 6.079 -1.365
539 HA TRP 92 HA TRP 92 17.482 8.292 -3.168
540 1HB TRP 92 1HB TRP 92 15.676 6.895 -1.198
541 2HB TRP 92 2HB TRP 92 15.211 8.213 -2.269
542 HD1 TRP 92 HD1 TRP 92 16.428 4.552 -2.484
543 HE1 TRP 92 HE1 TRP 92 15.492 3.518 -4.649
544 HE3 TRP 92 HE3 TRP 92 14.186 8.697 -4.449
545 HZ2 TRP 92 HZ2 TRP 92 13.995 4.352 -6.890
546 HZ3 TRP 92 HZ3 TRP 92 13.021 8.496 -6.604
547 HH2 TRP 92 HH2 TRP 92 12.927 6.367 -7.799
548 H HIS 93 H HIS 93 16.663 10.227 -2.212
549 HA HIS 93 HA HIS 93 17.299 10.764 0.575
550 1HB HIS 93 1HB HIS 93 18.564 12.836 -0.055
551 2HB HIS 93 2HB HIS 93 19.398 11.344 -0.472
552 HD2 HIS 93 HD2 HIS 93 18.854 10.673 -3.367
553 HE1 HIS 93 HE1 HIS 93 18.871 14.806 -4.328
554 HE2 HIS 93 HE2 HIS 93 18.959 12.457 -5.237
555 H LYS 94 H LYS 94 15.851 12.239 1.438
556 HA LYS 94 HA LYS 94 13.495 12.695 0.071
557 1HB LYS 94 1HB LYS 94 13.952 12.911 2.607
558 2HB LYS 94 2HB LYS 94 14.285 14.599 2.231
559 1HG LYS 94 1HG LYS 94 12.063 14.712 1.102
560 2HG LYS 94 2HG LYS 94 11.730 13.094 1.711
561 1HD LYS 94 1HD LYS 94 11.990 13.912 4.008
562 2HD LYS 94 2HD LYS 94 12.316 15.534 3.389
563 1HE LYS 94 1HE LYS 94 10.145 15.949 2.997
564 2HE LYS 94 2HE LYS 94 9.861 14.338 2.338
565 1HZ LYS 94 1HZ LYS 94 9.087 15.306 4.812
566 2HZ LYS 94 2HZ LYS 94 10.306 14.173 5.121
567 3HZ LYS 94 3HZ LYS 94 8.941 13.725 4.230
568 H LYS 95 H LYS 95 12.867 13.927 -1.422
569 HA LYS 95 HA LYS 95 14.484 16.069 -2.430
570 1HB LYS 95 1HB LYS 95 12.123 14.534 -3.327
571 2HB LYS 95 2HB LYS 95 12.317 16.158 -3.950
572 1HG LYS 95 1HG LYS 95 14.659 14.361 -4.034
573 2HG LYS 95 2HG LYS 95 13.348 14.076 -5.181
574 1HD LYS 95 1HD LYS 95 14.215 16.876 -4.904
575 2HD LYS 95 2HD LYS 95 15.406 15.781 -5.609
576 1HE LYS 95 1HE LYS 95 13.734 15.050 -7.257
577 2HE LYS 95 2HE LYS 95 12.572 16.180 -6.564
578 1HZ LYS 95 1HZ LYS 95 14.925 17.584 -7.160
579 2HZ LYS 95 2HZ LYS 95 13.392 17.765 -7.851
580 3HZ LYS 95 3HZ LYS 95 14.498 16.678 -8.525
581 H SER 96 H SER 96 10.979 16.050 -2.129
582 HA SER 96 HA SER 96 11.074 18.769 -1.053
583 1HB SER 96 1HB SER 96 8.810 17.147 -2.232
584 2HB SER 96 2HB SER 96 8.610 18.765 -1.562
585 HG SER 96 HG SER 96 10.502 18.206 -3.586
Start of MODEL 10
1 HA PRO 22 HA PRO 22 2.741 -7.530 4.602
2 1HB PRO 22 1HB PRO 22 3.949 -5.611 2.756
3 2HB PRO 22 2HB PRO 22 3.638 -7.334 2.533
4 1HG PRO 22 1HG PRO 22 2.245 -5.464 1.207
5 2HG PRO 22 2HG PRO 22 1.503 -6.981 1.736
6 1HD PRO 22 1HD PRO 22 1.366 -4.272 3.013
7 2HD PRO 22 2HD PRO 22 0.061 -5.438 2.710
8 H TYR 23 H TYR 23 2.420 -4.138 5.166
9 HA TYR 23 HA TYR 23 4.976 -4.124 6.634
10 1HB TYR 23 1HB TYR 23 3.528 -1.752 5.436
11 2HB TYR 23 2HB TYR 23 5.101 -1.728 6.235
12 HD1 TYR 23 HD1 TYR 23 4.080 -1.042 3.251
13 HD2 TYR 23 HD2 TYR 23 6.279 -4.207 5.060
14 HE1 TYR 23 HE1 TYR 23 5.160 -1.520 1.093
15 HE2 TYR 23 HE2 TYR 23 7.356 -4.692 2.913
16 HH TYR 23 HH TYR 23 7.237 -2.594 0.266
17 H LYS 24 H LYS 24 4.976 -3.365 8.758
18 HA LYS 24 HA LYS 24 2.309 -2.825 9.873
19 1HB LYS 24 1HB LYS 24 4.141 -4.862 10.514
20 2HB LYS 24 2HB LYS 24 4.153 -3.747 11.869
21 1HG LYS 24 1HG LYS 24 2.520 -5.695 11.958
22 2HG LYS 24 2HG LYS 24 1.896 -4.091 12.334
23 1HD LYS 24 1HD LYS 24 1.659 -4.601 9.511
24 2HD LYS 24 2HD LYS 24 0.924 -5.918 10.429
25 1HE LYS 24 1HE LYS 24 -0.636 -4.534 11.417
26 2HE LYS 24 2HE LYS 24 0.353 -3.093 11.202
27 1HZ LYS 24 1HZ LYS 24 -0.893 -2.660 9.436
28 2HZ LYS 24 2HZ LYS 24 -1.643 -4.175 9.490
29 3HZ LYS 24 3HZ LYS 24 -0.181 -3.986 8.663
30 H THR 25 H THR 25 5.778 -1.997 10.203
31 HA THR 25 HA THR 25 4.873 0.436 11.570
32 HB THR 25 HB THR 25 6.931 0.363 12.913
33 HG1 THR 25 HG1 THR 25 8.189 -0.960 11.545
34 1HG2 THR 25 1HG2 THR 25 5.521 -0.543 14.368
35 2HG2 THR 25 2HG2 THR 25 6.218 -2.097 13.907
36 3HG2 THR 25 3HG2 THR 25 4.745 -1.523 13.124
37 H LYS 26 H LYS 26 7.630 -0.943 9.801
38 HA LYS 26 HA LYS 26 7.804 0.892 7.772
39 1HB LYS 26 1HB LYS 26 8.195 2.525 9.706
40 2HB LYS 26 2HB LYS 26 9.728 1.711 9.959
41 1HG LYS 26 1HG LYS 26 10.579 2.473 7.915
42 2HG LYS 26 2HG LYS 26 8.978 2.914 7.316
43 1HD LYS 26 1HD LYS 26 10.081 4.941 7.930
44 2HD LYS 26 2HD LYS 26 8.864 4.613 9.166
45 1HE LYS 26 1HE LYS 26 10.773 3.448 10.437
46 2HE LYS 26 2HE LYS 26 11.844 4.306 9.330
47 1HZ LYS 26 1HZ LYS 26 10.209 5.339 11.509
48 2HZ LYS 26 2HZ LYS 26 10.319 6.310 10.127
49 3HZ LYS 26 3HZ LYS 26 11.723 5.851 10.953
50 H SER 27 H SER 27 9.904 -0.616 10.202
51 HA SER 27 HA SER 27 12.018 -1.280 8.488
52 1HB SER 27 1HB SER 27 12.266 -1.341 10.904
53 2HB SER 27 2HB SER 27 11.081 -2.638 11.023
54 HG SER 27 HG SER 27 12.987 -3.380 9.309
55 H ASP 28 H ASP 28 8.879 -2.656 8.906
56 HA ASP 28 HA ASP 28 9.334 -5.271 7.978
57 1HB ASP 28 1HB ASP 28 6.939 -3.463 8.030
58 2HB ASP 28 2HB ASP 28 6.857 -5.014 7.203
59 H LEU 29 H LEU 29 9.458 -2.259 6.365
60 HA LEU 29 HA LEU 29 8.619 -2.860 3.801
61 1HB LEU 29 1HB LEU 29 10.770 -1.023 4.804
62 2HB LEU 29 2HB LEU 29 10.319 -1.105 3.112
63 HG LEU 29 HG LEU 29 8.400 -0.411 5.333
64 1HD1 LEU 29 1HD1 LEU 29 10.487 1.154 4.318
65 2HD1 LEU 29 2HD1 LEU 29 9.115 1.681 5.298
66 3HD1 LEU 29 3HD1 LEU 29 9.015 1.742 3.540
67 1HD2 LEU 29 1HD2 LEU 29 6.866 0.152 3.652
68 2HD2 LEU 29 2HD2 LEU 29 7.539 -1.395 3.149
69 3HD2 LEU 29 3HD2 LEU 29 8.097 0.095 2.395
70 HA PRO 30 HA PRO 30 11.525 -5.492 1.829
71 1HB PRO 30 1HB PRO 30 11.836 -3.569 -0.381
72 2HB PRO 30 2HB PRO 30 11.175 -5.199 -0.406
73 1HG PRO 30 1HG PRO 30 9.597 -3.079 -0.682
74 2HG PRO 30 2HG PRO 30 9.083 -4.491 0.245
75 1HD PRO 30 1HD PRO 30 10.163 -1.880 1.244
76 2HD PRO 30 2HD PRO 30 8.778 -2.822 1.826
77 H GLU 31 H GLU 31 13.632 -5.903 1.935
78 HA GLU 31 HA GLU 31 15.489 -4.212 3.057
79 1HB GLU 31 1HB GLU 31 17.224 -5.740 2.172
80 2HB GLU 31 2HB GLU 31 15.874 -6.599 2.903
81 1HG GLU 31 1HG GLU 31 15.032 -6.577 0.374
82 2HG GLU 31 2HG GLU 31 16.772 -6.507 0.090
83 H SER 32 H SER 32 15.077 -4.880 -0.427
84 HA SER 32 HA SER 32 17.055 -3.120 -1.343
85 1HB SER 32 1HB SER 32 15.659 -3.119 -3.472
86 2HB SER 32 2HB SER 32 16.199 -4.696 -2.893
87 HG SER 32 HG SER 32 13.731 -3.922 -3.379
88 H VAL 33 H VAL 33 14.108 -2.462 0.169
89 HA VAL 33 HA VAL 33 13.837 0.194 -1.014
90 HB VAL 33 HB VAL 33 12.108 -1.264 1.005
91 1HG1 VAL 33 1HG1 VAL 33 12.203 1.309 1.141
92 2HG1 VAL 33 2HG1 VAL 33 10.625 0.531 1.043
93 3HG1 VAL 33 3HG1 VAL 33 11.333 1.274 -0.392
94 1HG2 VAL 33 1HG2 VAL 33 11.221 -0.465 -1.724
95 2HG2 VAL 33 2HG2 VAL 33 10.680 -1.792 -0.702
96 3HG2 VAL 33 3HG2 VAL 33 12.230 -1.899 -1.530
97 H LYS 34 H LYS 34 14.095 -1.306 2.197
98 HA LYS 34 HA LYS 34 14.587 1.083 3.618
99 1HB LYS 34 1HB LYS 34 15.368 -1.764 4.300
100 2HB LYS 34 2HB LYS 34 15.313 -0.416 5.432
101 1HG LYS 34 1HG LYS 34 12.915 -0.224 5.124
102 2HG LYS 34 2HG LYS 34 12.951 -1.523 3.928
103 1HD LYS 34 1HD LYS 34 13.696 -1.765 6.841
104 2HD LYS 34 2HD LYS 34 12.211 -2.352 6.095
105 1HE LYS 34 1HE LYS 34 13.457 -3.917 4.746
106 2HE LYS 34 2HE LYS 34 14.983 -3.264 5.333
107 1HZ LYS 34 1HZ LYS 34 13.059 -4.303 7.285
108 2HZ LYS 34 2HZ LYS 34 14.749 -4.273 7.350
109 3HZ LYS 34 3HZ LYS 34 13.959 -5.408 6.375
110 H HIS 35 H HIS 35 16.659 -1.154 1.885
111 HA HIS 35 HA HIS 35 19.122 -0.063 2.940
112 1HB HIS 35 1HB HIS 35 18.346 -2.393 1.432
113 2HB HIS 35 2HB HIS 35 19.696 -1.592 0.647
114 HD2 HIS 35 HD2 HIS 35 18.927 -3.712 3.781
115 HE1 HIS 35 HE1 HIS 35 23.053 -2.728 3.866
116 HE2 HIS 35 HE2 HIS 35 21.237 -4.171 4.850
117 H VAL 36 H VAL 36 17.226 1.658 1.459
118 HA VAL 36 HA VAL 36 19.155 2.992 -0.230
119 HB VAL 36 HB VAL 36 17.575 3.084 -2.167
120 1HG1 VAL 36 1HG1 VAL 36 18.263 0.222 -1.578
121 2HG1 VAL 36 2HG1 VAL 36 19.517 1.425 -1.875
122 3HG1 VAL 36 3HG1 VAL 36 18.317 1.078 -3.118
123 1HG2 VAL 36 1HG2 VAL 36 15.792 1.412 -2.300
124 2HG2 VAL 36 2HG2 VAL 36 15.531 2.514 -0.948
125 3HG2 VAL 36 3HG2 VAL 36 16.157 0.888 -0.652
126 H LEU 37 H LEU 37 15.939 2.779 1.192
127 HA LEU 37 HA LEU 37 15.425 5.577 0.782
128 1HB LEU 37 1HB LEU 37 13.918 3.273 1.763
129 2HB LEU 37 2HB LEU 37 13.575 4.759 2.622
130 HG LEU 37 HG LEU 37 12.469 5.672 0.877
131 1HD1 LEU 37 1HD1 LEU 37 13.045 5.094 -1.543
132 2HD1 LEU 37 2HD1 LEU 37 14.498 4.351 -0.873
133 3HD1 LEU 37 3HD1 LEU 37 14.195 6.072 -0.623
134 1HD2 LEU 37 1HD2 LEU 37 11.753 3.170 1.250
135 2HD2 LEU 37 2HD2 LEU 37 12.274 3.028 -0.428
136 3HD2 LEU 37 3HD2 LEU 37 11.012 4.180 0.012
137 HA PRO 38 HA PRO 38 17.756 7.159 4.083
138 1HB PRO 38 1HB PRO 38 15.572 9.203 3.963
139 2HB PRO 38 2HB PRO 38 17.326 9.426 3.963
140 1HG PRO 38 1HG PRO 38 16.019 9.641 1.688
141 2HG PRO 38 2HG PRO 38 17.527 8.720 1.729
142 1HD PRO 38 1HD PRO 38 14.710 7.720 1.709
143 2HD PRO 38 2HD PRO 38 16.125 7.142 0.809
144 H SER 39 H SER 39 14.571 8.390 5.028
145 HA SER 39 HA SER 39 14.424 6.466 7.212
146 1HB SER 39 1HB SER 39 15.179 9.305 7.524
147 2HB SER 39 2HB SER 39 13.929 8.736 8.629
148 HG SER 39 HG SER 39 15.386 7.644 9.667
149 H HIS 40 H HIS 40 12.942 9.651 6.670
150 HA HIS 40 HA HIS 40 10.342 8.760 7.282
151 1HB HIS 40 1HB HIS 40 11.129 11.134 7.392
152 2HB HIS 40 2HB HIS 40 11.054 11.183 5.635
153 HD2 HIS 40 HD2 HIS 40 8.985 13.063 5.725
154 HE1 HIS 40 HE1 HIS 40 6.112 10.420 7.380
155 HE2 HIS 40 HE2 HIS 40 6.507 12.696 6.371
156 H ALA 41 H ALA 41 12.218 8.319 4.486
157 HA ALA 41 HA ALA 41 10.160 8.333 2.526
158 1HB ALA 41 1HB ALA 41 12.698 8.421 2.170
159 2HB ALA 41 2HB ALA 41 11.750 7.451 1.051
160 3HB ALA 41 3HB ALA 41 12.654 6.673 2.351
161 H GLN 42 H GLN 42 11.359 5.990 4.808
162 HA GLN 42 HA GLN 42 10.096 3.716 3.634
163 1HB GLN 42 1HB GLN 42 10.939 4.106 6.519
164 2HB GLN 42 2HB GLN 42 10.699 2.581 5.685
165 1HG GLN 42 1HG GLN 42 12.733 2.601 4.806
166 2HG GLN 42 2HG GLN 42 12.574 4.287 4.299
167 1HE2 GLN 42 1HE2 GLN 42 14.936 4.022 4.943
168 2HE2 GLN 42 2HE2 GLN 42 15.336 4.434 6.572
169 H ASP 43 H ASP 43 9.239 6.075 6.117
170 HA ASP 43 HA ASP 43 6.776 4.877 6.871
171 1HB ASP 43 1HB ASP 43 8.033 6.756 8.096
172 2HB ASP 43 2HB ASP 43 7.352 7.848 6.892
173 H ILE 44 H ILE 44 7.741 7.350 4.569
174 HA ILE 44 HA ILE 44 5.263 7.963 3.422
175 HB ILE 44 HB ILE 44 8.050 7.901 2.232
176 1HG1 ILE 44 1HG1 ILE 44 6.287 10.123 3.282
177 2HG1 ILE 44 2HG1 ILE 44 7.751 9.511 4.027
178 1HG2 ILE 44 1HG2 ILE 44 5.467 8.316 0.927
179 2HG2 ILE 44 2HG2 ILE 44 7.062 8.077 0.215
180 3HG2 ILE 44 3HG2 ILE 44 6.552 9.687 0.718
181 1HD1 ILE 44 1HD1 ILE 44 7.409 11.347 1.757
182 2HD1 ILE 44 2HD1 ILE 44 8.753 10.214 1.664
183 3HD1 ILE 44 3HD1 ILE 44 8.629 11.328 3.024
184 H TYR 45 H TYR 45 7.753 5.677 2.420
185 HA TYR 45 HA TYR 45 6.496 4.452 0.295
186 1HB TYR 45 1HB TYR 45 8.860 4.104 1.065
187 2HB TYR 45 2HB TYR 45 8.219 3.048 2.310
188 HD1 TYR 45 HD1 TYR 45 6.507 1.199 1.291
189 HD2 TYR 45 HD2 TYR 45 9.705 3.066 -0.791
190 HE1 TYR 45 HE1 TYR 45 6.573 -0.688 -0.281
191 HE2 TYR 45 HE2 TYR 45 9.779 1.189 -2.373
192 HH TYR 45 HH TYR 45 7.395 -1.398 -2.280
193 H LYS 46 H LYS 46 6.635 3.163 3.614
194 HA LYS 46 HA LYS 46 4.782 1.127 3.283
195 1HB LYS 46 1HB LYS 46 6.219 1.179 5.202
196 2HB LYS 46 2HB LYS 46 5.556 2.718 5.727
197 1HG LYS 46 1HG LYS 46 3.405 1.641 6.165
198 2HG LYS 46 2HG LYS 46 4.081 0.097 5.647
199 1HD LYS 46 1HD LYS 46 5.382 -0.122 7.522
200 2HD LYS 46 2HD LYS 46 5.500 1.621 7.770
201 1HE LYS 46 1HE LYS 46 2.950 0.075 8.156
202 2HE LYS 46 2HE LYS 46 4.118 0.347 9.447
203 1HZ LYS 46 1HZ LYS 46 3.856 2.749 9.071
204 2HZ LYS 46 2HZ LYS 46 2.419 2.003 9.567
205 3HZ LYS 46 3HZ LYS 46 2.635 2.428 7.944
206 H GLU 47 H GLU 47 4.213 4.378 4.657
207 HA GLU 47 HA GLU 47 1.472 4.074 5.073
208 1HB GLU 47 1HB GLU 47 3.061 6.564 4.475
209 2HB GLU 47 2HB GLU 47 1.377 6.564 4.972
210 1HG GLU 47 1HG GLU 47 2.594 5.013 6.888
211 2HG GLU 47 2HG GLU 47 3.784 6.269 6.559
212 H ALA 48 H ALA 48 3.259 4.993 2.201
213 HA ALA 48 HA ALA 48 0.916 5.680 0.691
214 1HB ALA 48 1HB ALA 48 3.791 5.232 -0.049
215 2HB ALA 48 2HB ALA 48 2.878 6.741 -0.036
216 3HB ALA 48 3HB ALA 48 2.543 5.519 -1.263
217 H PHE 49 H PHE 49 2.990 2.869 1.059
218 HA PHE 49 HA PHE 49 1.816 1.261 -0.926
219 1HB PHE 49 1HB PHE 49 3.953 0.663 0.089
220 2HB PHE 49 2HB PHE 49 3.183 0.475 1.652
221 HD1 PHE 49 HD1 PHE 49 1.299 -1.329 1.777
222 HD2 PHE 49 HD2 PHE 49 4.229 -1.131 -1.301
223 HE1 PHE 49 HE1 PHE 49 0.862 -3.683 1.211
224 HE2 PHE 49 HE2 PHE 49 3.797 -3.480 -1.863
225 HZ PHE 49 HZ PHE 49 2.111 -4.765 -0.615
226 H ASN 50 H ASN 50 1.218 1.416 2.594
227 HA ASN 50 HA ASN 50 -0.792 -0.462 2.787
228 1HB ASN 50 1HB ASN 50 0.018 1.924 4.339
229 2HB ASN 50 2HB ASN 50 -1.627 1.356 4.614
230 1HD2 ASN 50 1HD2 ASN 50 1.525 -0.193 4.075
231 2HD2 ASN 50 2HD2 ASN 50 1.434 -1.239 5.446
232 H SER 51 H SER 51 -1.101 2.997 2.008
233 HA SER 51 HA SER 51 -3.882 3.135 1.877
234 1HB SER 51 1HB SER 51 -2.089 5.018 1.657
235 2HB SER 51 2HB SER 51 -2.160 4.653 -0.066
236 HG SER 51 HG SER 51 -4.134 5.455 -0.174
237 H ALA 52 H ALA 52 -1.532 2.289 -0.639
238 HA ALA 52 HA ALA 52 -3.482 1.872 -2.675
239 1HB ALA 52 1HB ALA 52 -1.441 0.385 -3.558
240 2HB ALA 52 2HB ALA 52 -0.582 1.359 -2.367
241 3HB ALA 52 3HB ALA 52 -1.464 2.145 -3.676
242 H TRP 53 H TRP 53 -2.084 -0.074 -0.147
243 HA TRP 53 HA TRP 53 -2.938 -2.610 -1.076
244 1HB TRP 53 1HB TRP 53 -1.241 -2.660 0.548
245 2HB TRP 53 2HB TRP 53 -2.061 -1.501 1.582
246 HD1 TRP 53 HD1 TRP 53 -1.782 -5.209 0.877
247 HE1 TRP 53 HE1 TRP 53 -3.100 -6.516 2.658
248 HE3 TRP 53 HE3 TRP 53 -4.174 -1.304 3.146
249 HZ2 TRP 53 HZ2 TRP 53 -4.911 -5.965 4.749
250 HZ3 TRP 53 HZ3 TRP 53 -5.681 -1.780 5.032
251 HH2 TRP 53 HH2 TRP 53 -6.040 -4.064 5.817
252 H ASP 54 H ASP 54 -4.295 -0.366 1.361
253 HA ASP 54 HA ASP 54 -6.690 -1.853 1.723
254 1HB ASP 54 1HB ASP 54 -5.613 -0.059 3.267
255 2HB ASP 54 2HB ASP 54 -6.457 1.103 2.248
256 H GLN 55 H GLN 55 -5.677 0.668 -0.458
257 HA GLN 55 HA GLN 55 -8.259 1.393 -1.377
258 1HB GLN 55 1HB GLN 55 -5.474 1.827 -2.348
259 2HB GLN 55 2HB GLN 55 -6.796 2.097 -3.477
260 1HG GLN 55 1HG GLN 55 -7.668 3.448 -1.287
261 2HG GLN 55 2HG GLN 55 -5.925 3.682 -1.177
262 1HE2 GLN 55 1HE2 GLN 55 -5.053 5.247 -2.340
263 2HE2 GLN 55 2HE2 GLN 55 -5.817 6.081 -3.648
264 H TYR 56 H TYR 56 -6.111 -1.174 -2.049
265 HA TYR 56 HA TYR 56 -7.174 -1.988 -4.555
266 1HB TYR 56 1HB TYR 56 -5.000 -2.686 -2.999
267 2HB TYR 56 2HB TYR 56 -6.016 -4.116 -2.920
268 HD1 TYR 56 HD1 TYR 56 -4.373 -1.791 -5.277
269 HD2 TYR 56 HD2 TYR 56 -6.108 -5.627 -4.701
270 HE1 TYR 56 HE1 TYR 56 -3.534 -2.493 -7.477
271 HE2 TYR 56 HE2 TYR 56 -5.284 -6.338 -6.898
272 HH TYR 56 HH TYR 56 -4.382 -5.616 -8.867
273 H LYS 57 H LYS 57 -9.427 -1.522 -3.315
274 HA LYS 57 HA LYS 57 -10.439 -3.898 -1.996
275 1HB LYS 57 1HB LYS 57 -11.207 -1.118 -2.190
276 2HB LYS 57 2HB LYS 57 -12.580 -2.169 -2.512
277 1HG LYS 57 1HG LYS 57 -10.825 -2.554 -0.111
278 2HG LYS 57 2HG LYS 57 -12.188 -1.434 -0.105
279 1HD LYS 57 1HD LYS 57 -13.388 -3.216 0.549
280 2HD LYS 57 2HD LYS 57 -13.323 -3.687 -1.150
281 1HE LYS 57 1HE LYS 57 -11.908 -5.391 -0.751
282 2HE LYS 57 2HE LYS 57 -10.983 -4.476 0.437
283 1HZ LYS 57 1HZ LYS 57 -12.238 -6.446 1.310
284 2HZ LYS 57 2HZ LYS 57 -13.668 -5.591 1.011
285 3HZ LYS 57 3HZ LYS 57 -12.535 -4.988 2.114
286 H ASP 58 H ASP 58 -9.814 -3.215 -5.079
287 HA ASP 58 HA ASP 58 -12.237 -3.911 -6.405
288 1HB ASP 58 1HB ASP 58 -9.868 -2.831 -7.212
289 2HB ASP 58 2HB ASP 58 -9.678 -4.492 -7.768
290 H LYS 59 H LYS 59 -9.182 -5.656 -5.951
291 HA LYS 59 HA LYS 59 -10.477 -8.100 -5.280
292 1HB LYS 59 1HB LYS 59 -10.068 -7.549 -8.024
293 2HB LYS 59 2HB LYS 59 -8.879 -8.740 -7.545
294 1HG LYS 59 1HG LYS 59 -10.491 -10.316 -6.983
295 2HG LYS 59 2HG LYS 59 -11.759 -9.101 -6.841
296 1HD LYS 59 1HD LYS 59 -12.211 -9.135 -9.048
297 2HD LYS 59 2HD LYS 59 -10.510 -9.290 -9.494
298 1HE LYS 59 1HE LYS 59 -10.803 -11.455 -9.882
299 2HE LYS 59 2HE LYS 59 -11.303 -11.695 -8.209
300 1HZ LYS 59 1HZ LYS 59 -13.384 -12.005 -8.859
301 2HZ LYS 59 2HZ LYS 59 -12.860 -11.970 -10.467
302 3HZ LYS 59 3HZ LYS 59 -13.408 -10.552 -9.727
303 H GLU 60 H GLU 60 -8.958 -7.240 -3.593
304 HA GLU 60 HA GLU 60 -6.135 -7.675 -4.082
305 1HB GLU 60 1HB GLU 60 -5.861 -6.983 -1.711
306 2HB GLU 60 2HB GLU 60 -6.692 -5.796 -2.698
307 1HG GLU 60 1HG GLU 60 -8.693 -6.099 -1.624
308 2HG GLU 60 2HG GLU 60 -8.309 -7.751 -1.148
309 H ASP 61 H ASP 61 -8.778 -9.200 -2.347
310 HA ASP 61 HA ASP 61 -6.954 -11.366 -1.545
311 1HB ASP 61 1HB ASP 61 -8.460 -10.102 0.155
312 2HB ASP 61 2HB ASP 61 -9.764 -11.070 -0.523
313 H ARG 62 H ARG 62 -7.486 -11.433 -4.130
314 HA ARG 62 HA ARG 62 -9.613 -13.427 -4.465
315 1HB ARG 62 1HB ARG 62 -9.429 -12.904 -6.889
316 2HB ARG 62 2HB ARG 62 -9.865 -11.509 -5.915
317 1HG ARG 62 1HG ARG 62 -7.764 -10.526 -6.166
318 2HG ARG 62 2HG ARG 62 -7.022 -12.027 -6.697
319 1HD ARG 62 1HD ARG 62 -9.235 -11.080 -8.376
320 2HD ARG 62 2HD ARG 62 -7.832 -10.020 -8.350
321 HE ARG 62 HE ARG 62 -6.886 -12.584 -8.803
322 1HH1 ARG 62 1HH1 ARG 62 -9.016 -10.329 -10.404
323 2HH1 ARG 62 2HH1 ARG 62 -8.603 -10.877 -11.994
324 1HH2 ARG 62 1HH2 ARG 62 -6.335 -13.295 -10.905
325 2HH2 ARG 62 2HH2 ARG 62 -7.087 -12.558 -12.277
326 H ARG 63 H ARG 63 -7.781 -13.749 -7.099
327 HA ARG 63 HA ARG 63 -6.312 -16.019 -6.001
328 1HB ARG 63 1HB ARG 63 -6.051 -16.642 -8.423
329 2HB ARG 63 2HB ARG 63 -7.718 -16.591 -7.860
330 1HG ARG 63 1HG ARG 63 -7.936 -14.332 -8.841
331 2HG ARG 63 2HG ARG 63 -6.303 -14.493 -9.485
332 1HD ARG 63 1HD ARG 63 -7.924 -15.027 -11.198
333 2HD ARG 63 2HD ARG 63 -7.018 -16.472 -10.752
334 HE ARG 63 HE ARG 63 -8.984 -17.427 -10.128
335 1HH1 ARG 63 1HH1 ARG 63 -9.408 -13.960 -10.028
336 2HH1 ARG 63 2HH1 ARG 63 -11.094 -14.054 -9.643
337 1HH2 ARG 63 1HH2 ARG 63 -11.202 -17.544 -9.628
338 2HH2 ARG 63 2HH2 ARG 63 -12.110 -16.086 -9.420
339 H ASP 64 H ASP 64 -5.926 -12.941 -7.558
340 HA ASP 64 HA ASP 64 -3.015 -13.293 -7.688
341 1HB ASP 64 1HB ASP 64 -4.259 -12.719 -9.795
342 2HB ASP 64 2HB ASP 64 -4.681 -11.178 -9.056
343 H ASP 65 H ASP 65 -3.817 -12.848 -5.152
344 HA ASP 65 HA ASP 65 -4.167 -10.185 -4.333
345 1HB ASP 65 1HB ASP 65 -2.665 -12.338 -2.819
346 2HB ASP 65 2HB ASP 65 -3.453 -10.919 -2.137
347 H ALA 66 H ALA 66 -1.316 -11.940 -5.314
348 HA ALA 66 HA ALA 66 0.691 -10.317 -4.264
349 1HB ALA 66 1HB ALA 66 1.018 -11.315 -7.042
350 2HB ALA 66 2HB ALA 66 0.804 -12.495 -5.745
351 3HB ALA 66 3HB ALA 66 2.145 -11.347 -5.686
352 H SER 67 H SER 67 -1.342 -9.895 -7.100
353 HA SER 67 HA SER 67 -0.060 -7.742 -8.318
354 1HB SER 67 1HB SER 67 -2.055 -9.009 -9.192
355 2HB SER 67 2HB SER 67 -3.059 -8.082 -8.085
356 HG SER 67 HG SER 67 -1.991 -6.191 -9.182
357 H ARG 68 H ARG 68 -2.434 -7.852 -5.727
358 HA ARG 68 HA ARG 68 -2.795 -5.120 -5.310
359 1HB ARG 68 1HB ARG 68 -4.154 -6.827 -4.192
360 2HB ARG 68 2HB ARG 68 -2.751 -7.357 -3.266
361 1HG ARG 68 1HG ARG 68 -3.530 -4.505 -3.069
362 2HG ARG 68 2HG ARG 68 -4.561 -5.701 -2.286
363 1HD ARG 68 1HD ARG 68 -1.608 -5.811 -1.867
364 2HD ARG 68 2HD ARG 68 -2.561 -4.611 -0.995
365 HE ARG 68 HE ARG 68 -3.913 -6.561 -0.179
366 1HH1 ARG 68 1HH1 ARG 68 -0.569 -6.945 -1.105
367 2HH1 ARG 68 2HH1 ARG 68 -0.321 -8.329 -0.095
368 1HH2 ARG 68 1HH2 ARG 68 -3.577 -8.372 1.162
369 2HH2 ARG 68 2HH2 ARG 68 -2.022 -9.136 1.189
370 H GLU 69 H GLU 69 -0.669 -7.281 -3.435
371 HA GLU 69 HA GLU 69 0.795 -5.404 -2.071
372 1HB GLU 69 1HB GLU 69 0.982 -7.839 -1.725
373 2HB GLU 69 2HB GLU 69 1.821 -7.999 -3.263
374 1HG GLU 69 1HG GLU 69 3.745 -7.020 -2.447
375 2HG GLU 69 2HG GLU 69 2.890 -6.198 -1.150
376 H GLU 70 H GLU 70 1.520 -6.818 -5.247
377 HA GLU 70 HA GLU 70 3.813 -5.441 -5.907
378 1HB GLU 70 1HB GLU 70 2.534 -7.263 -7.213
379 2HB GLU 70 2HB GLU 70 1.621 -5.934 -7.912
380 1HG GLU 70 1HG GLU 70 3.252 -6.226 -9.486
381 2HG GLU 70 2HG GLU 70 3.981 -4.980 -8.473
382 H THR 71 H THR 71 0.496 -4.482 -6.814
383 HA THR 71 HA THR 71 1.074 -2.005 -7.893
384 HB THR 71 HB THR 71 -1.354 -2.829 -6.285
385 HG1 THR 71 HG1 THR 71 -0.999 -2.608 -9.089
386 1HG2 THR 71 1HG2 THR 71 -2.391 -0.979 -7.820
387 2HG2 THR 71 2HG2 THR 71 -0.751 -0.323 -7.774
388 3HG2 THR 71 3HG2 THR 71 -1.648 -0.561 -6.273
389 H ALA 72 H ALA 72 0.258 -2.728 -4.502
390 HA ALA 72 HA ALA 72 0.432 -0.171 -3.481
391 1HB ALA 72 1HB ALA 72 1.126 -2.822 -2.241
392 2HB ALA 72 2HB ALA 72 -0.365 -1.898 -2.072
393 3HB ALA 72 3HB ALA 72 1.121 -1.312 -1.335
394 H HIS 73 H HIS 73 3.010 -2.544 -4.024
395 HA HIS 73 HA HIS 73 5.183 -1.071 -3.037
396 1HB HIS 73 1HB HIS 73 4.988 -3.089 -5.279
397 2HB HIS 73 2HB HIS 73 6.505 -2.306 -4.890
398 HD2 HIS 73 HD2 HIS 73 4.207 -5.129 -3.528
399 HE1 HIS 73 HE1 HIS 73 7.656 -4.905 -1.069
400 HE2 HIS 73 HE2 HIS 73 5.530 -6.161 -1.562
401 H LYS 74 H LYS 74 3.737 -1.191 -6.269
402 HA LYS 74 HA LYS 74 5.337 0.690 -7.548
403 1HB LYS 74 1HB LYS 74 2.482 -0.163 -7.985
404 2HB LYS 74 2HB LYS 74 3.269 1.018 -9.021
405 1HG LYS 74 1HG LYS 74 4.321 -0.554 -10.159
406 2HG LYS 74 2HG LYS 74 4.894 -1.349 -8.697
407 1HD LYS 74 1HD LYS 74 3.583 -2.992 -9.627
408 2HD LYS 74 2HD LYS 74 2.425 -2.193 -8.572
409 1HE LYS 74 1HE LYS 74 2.685 -1.137 -11.321
410 2HE LYS 74 2HE LYS 74 1.933 -2.721 -11.150
411 1HZ LYS 74 1HZ LYS 74 0.845 -0.961 -9.242
412 2HZ LYS 74 2HZ LYS 74 0.065 -1.746 -10.519
413 3HZ LYS 74 3HZ LYS 74 0.769 -0.228 -10.763
414 H VAL 75 H VAL 75 2.363 1.110 -5.708
415 HA VAL 75 HA VAL 75 2.100 3.889 -6.178
416 HB VAL 75 HB VAL 75 1.042 2.264 -3.865
417 1HG1 VAL 75 1HG1 VAL 75 -0.770 4.156 -4.104
418 2HG1 VAL 75 2HG1 VAL 75 0.575 5.057 -4.807
419 3HG1 VAL 75 3HG1 VAL 75 0.696 4.429 -3.161
420 1HG2 VAL 75 1HG2 VAL 75 0.305 2.494 -6.692
421 2HG2 VAL 75 2HG2 VAL 75 -1.041 2.666 -5.560
422 3HG2 VAL 75 3HG2 VAL 75 -0.039 1.213 -5.530
423 H ALA 76 H ALA 76 3.158 2.132 -3.264
424 HA ALA 76 HA ALA 76 3.916 4.227 -1.700
425 1HB ALA 76 1HB ALA 76 5.787 2.568 -0.919
426 2HB ALA 76 2HB ALA 76 4.906 1.442 -1.951
427 3HB ALA 76 3HB ALA 76 4.083 2.239 -0.612
428 H TRP 77 H TRP 77 5.909 2.632 -4.149
429 HA TRP 77 HA TRP 77 8.223 4.168 -3.787
430 1HB TRP 77 1HB TRP 77 7.143 2.483 -5.960
431 2HB TRP 77 2HB TRP 77 8.328 3.690 -6.450
432 HD1 TRP 77 HD1 TRP 77 8.160 0.271 -5.313
433 HE1 TRP 77 HE1 TRP 77 10.427 -0.566 -4.444
434 HE3 TRP 77 HE3 TRP 77 10.508 4.769 -4.822
435 HZ2 TRP 77 HZ2 TRP 77 12.904 0.558 -3.641
436 HZ3 TRP 77 HZ3 TRP 77 12.823 4.809 -3.986
437 HH2 TRP 77 HH2 TRP 77 13.994 2.747 -3.408
438 H ALA 78 H ALA 78 5.389 4.707 -5.863
439 HA ALA 78 HA ALA 78 6.186 6.983 -7.204
440 1HB ALA 78 1HB ALA 78 4.118 6.057 -7.831
441 2HB ALA 78 2HB ALA 78 3.714 7.623 -7.124
442 3HB ALA 78 3HB ALA 78 3.480 6.146 -6.191
443 H ALA 79 H ALA 79 4.822 6.699 -3.952
444 HA ALA 79 HA ALA 79 4.785 9.466 -3.356
445 1HB ALA 79 1HB ALA 79 5.103 8.129 -0.951
446 2HB ALA 79 2HB ALA 79 4.272 6.966 -1.979
447 3HB ALA 79 3HB ALA 79 3.574 8.563 -1.709
448 H VAL 80 H VAL 80 7.076 6.850 -2.804
449 HA VAL 80 HA VAL 80 8.999 8.288 -1.392
450 HB VAL 80 HB VAL 80 9.302 5.870 -3.189
451 1HG1 VAL 80 1HG1 VAL 80 11.315 7.535 -2.088
452 2HG1 VAL 80 2HG1 VAL 80 11.504 5.989 -2.912
453 3HG1 VAL 80 3HG1 VAL 80 11.300 6.034 -1.163
454 1HG2 VAL 80 1HG2 VAL 80 9.389 4.694 -1.004
455 2HG2 VAL 80 2HG2 VAL 80 7.842 5.468 -1.323
456 3HG2 VAL 80 3HG2 VAL 80 8.987 6.210 -0.207
457 H LYS 81 H LYS 81 8.774 7.612 -4.910
458 HA LYS 81 HA LYS 81 11.066 9.095 -5.603
459 1HB LYS 81 1HB LYS 81 8.671 8.645 -7.376
460 2HB LYS 81 2HB LYS 81 10.342 8.881 -7.864
461 1HG LYS 81 1HG LYS 81 10.578 6.675 -6.318
462 2HG LYS 81 2HG LYS 81 8.954 6.453 -6.971
463 1HD LYS 81 1HD LYS 81 9.933 6.894 -9.252
464 2HD LYS 81 2HD LYS 81 11.527 6.804 -8.499
465 1HE LYS 81 1HE LYS 81 10.910 4.526 -7.669
466 2HE LYS 81 2HE LYS 81 9.444 4.633 -8.643
467 1HZ LYS 81 1HZ LYS 81 10.684 4.662 -10.615
468 2HZ LYS 81 2HZ LYS 81 11.403 3.454 -9.676
469 3HZ LYS 81 3HZ LYS 81 12.142 4.969 -9.813
470 H HIS 82 H HIS 82 8.011 10.106 -4.554
471 HA HIS 82 HA HIS 82 8.037 12.654 -5.945
472 1HB HIS 82 1HB HIS 82 5.925 11.371 -5.372
473 2HB HIS 82 2HB HIS 82 6.211 11.811 -3.691
474 HD2 HIS 82 HD2 HIS 82 5.372 14.331 -2.987
475 HE1 HIS 82 HE1 HIS 82 4.283 15.614 -6.885
476 HE2 HIS 82 HE2 HIS 82 4.181 16.127 -4.420
477 H GLU 83 H GLU 83 8.310 11.481 -2.617
478 HA GLU 83 HA GLU 83 9.220 14.100 -1.705
479 1HB GLU 83 1HB GLU 83 9.014 11.742 0.105
480 2HB GLU 83 2HB GLU 83 8.670 13.434 0.429
481 1HG GLU 83 1HG GLU 83 6.781 12.849 -1.425
482 2HG GLU 83 2HG GLU 83 6.924 11.311 -0.580
483 H TYR 84 H TYR 84 10.516 11.195 -2.792
484 HA TYR 84 HA TYR 84 13.161 11.924 -1.755
485 1HB TYR 84 1HB TYR 84 11.815 9.243 -1.624
486 2HB TYR 84 2HB TYR 84 13.570 9.373 -1.622
487 HD1 TYR 84 HD1 TYR 84 14.741 10.155 0.297
488 HD2 TYR 84 HD2 TYR 84 10.494 10.177 0.237
489 HE1 TYR 84 HE1 TYR 84 14.720 10.612 2.712
490 HE2 TYR 84 HE2 TYR 84 10.457 10.633 2.656
491 HH TYR 84 HH TYR 84 13.246 10.369 4.615
492 H ALA 85 H ALA 85 14.893 11.519 -3.051
493 HA ALA 85 HA ALA 85 14.314 10.568 -5.785
494 1HB ALA 85 1HB ALA 85 14.678 12.739 -6.314
495 2HB ALA 85 2HB ALA 85 16.366 12.228 -6.249
496 3HB ALA 85 3HB ALA 85 15.637 13.047 -4.865
497 H LYS 86 H LYS 86 15.952 9.394 -6.856
498 HA LYS 86 HA LYS 86 17.904 8.160 -5.067
499 1HB LYS 86 1HB LYS 86 16.419 6.821 -6.693
500 2HB LYS 86 2HB LYS 86 17.474 7.430 -7.957
501 1HG LYS 86 1HG LYS 86 19.393 6.361 -6.897
502 2HG LYS 86 2HG LYS 86 18.357 5.804 -5.582
503 1HD LYS 86 1HD LYS 86 18.297 3.927 -6.852
504 2HD LYS 86 2HD LYS 86 16.980 4.804 -7.631
505 1HE LYS 86 1HE LYS 86 18.243 5.315 -9.488
506 2HE LYS 86 2HE LYS 86 19.768 5.189 -8.616
507 1HZ LYS 86 1HZ LYS 86 19.085 3.347 -10.277
508 2HZ LYS 86 2HZ LYS 86 18.114 2.789 -9.011
509 3HZ LYS 86 3HZ LYS 86 19.788 2.910 -8.800
510 H GLY 87 H GLY 87 20.013 8.760 -5.068
511 1HA GLY 87 1HA GLY 87 20.836 10.877 -6.834
512 2HA GLY 87 2HA GLY 87 21.815 10.112 -5.590
513 H ASP 88 H ASP 88 23.480 10.359 -7.407
514 HA ASP 88 HA ASP 88 23.239 8.753 -9.712
515 1HB ASP 88 1HB ASP 88 25.697 9.124 -9.929
516 2HB ASP 88 2HB ASP 88 24.775 10.606 -9.705
517 H ASP 89 H ASP 89 22.744 7.341 -7.101
518 HA ASP 89 HA ASP 89 24.415 5.037 -7.680
519 1HB ASP 89 1HB ASP 89 23.938 6.016 -4.853
520 2HB ASP 89 2HB ASP 89 24.925 4.646 -5.353
521 H ASP 90 H ASP 90 23.336 3.484 -5.543
522 HA ASP 90 HA ASP 90 20.564 3.293 -6.482
523 1HB ASP 90 1HB ASP 90 22.605 1.331 -5.765
524 2HB ASP 90 2HB ASP 90 21.077 1.021 -4.945
525 H LYS 91 H LYS 91 21.219 5.280 -4.659
526 HA LYS 91 HA LYS 91 19.691 4.398 -2.312
527 1HB LYS 91 1HB LYS 91 22.247 5.857 -2.486
528 2HB LYS 91 2HB LYS 91 21.111 6.443 -1.295
529 1HG LYS 91 1HG LYS 91 21.020 4.223 -0.291
530 2HG LYS 91 2HG LYS 91 22.142 3.628 -1.520
531 1HD LYS 91 1HD LYS 91 23.235 5.971 -0.269
532 2HD LYS 91 2HD LYS 91 22.755 4.793 0.979
533 1HE LYS 91 1HE LYS 91 23.965 3.144 -0.756
534 2HE LYS 91 2HE LYS 91 24.855 4.626 -1.107
535 1HZ LYS 91 1HZ LYS 91 25.379 4.810 1.254
536 2HZ LYS 91 2HZ LYS 91 25.950 3.353 0.614
537 3HZ LYS 91 3HZ LYS 91 24.553 3.366 1.565
538 H TRP 92 H TRP 92 18.463 6.125 -1.289
539 HA TRP 92 HA TRP 92 17.765 8.231 -3.214
540 1HB TRP 92 1HB TRP 92 15.911 6.872 -1.258
541 2HB TRP 92 2HB TRP 92 15.462 8.118 -2.419
542 HD1 TRP 92 HD1 TRP 92 17.118 4.613 -2.593
543 HE1 TRP 92 HE1 TRP 92 16.155 3.383 -4.639
544 HE3 TRP 92 HE3 TRP 92 14.054 8.289 -4.367
545 HZ2 TRP 92 HZ2 TRP 92 14.336 3.908 -6.732
546 HZ3 TRP 92 HZ3 TRP 92 12.736 7.850 -6.399
547 HH2 TRP 92 HH2 TRP 92 12.876 5.704 -7.555
548 H HIS 93 H HIS 93 16.734 10.148 -2.278
549 HA HIS 93 HA HIS 93 17.364 10.765 0.494
550 1HB HIS 93 1HB HIS 93 18.558 12.850 -0.140
551 2HB HIS 93 2HB HIS 93 19.422 11.402 -0.646
552 HD2 HIS 93 HD2 HIS 93 19.198 10.874 -3.497
553 HE1 HIS 93 HE1 HIS 93 18.232 14.909 -4.388
554 HE2 HIS 93 HE2 HIS 93 18.971 12.690 -5.324
555 H LYS 94 H LYS 94 15.871 12.205 1.351
556 HA LYS 94 HA LYS 94 13.479 12.568 0.004
557 1HB LYS 94 1HB LYS 94 13.970 12.835 2.536
558 2HB LYS 94 2HB LYS 94 14.254 14.522 2.125
559 1HG LYS 94 1HG LYS 94 12.008 14.587 1.057
560 2HG LYS 94 2HG LYS 94 11.726 12.954 1.654
561 1HD LYS 94 1HD LYS 94 12.155 13.829 3.972
562 2HD LYS 94 2HD LYS 94 12.166 15.453 3.280
563 1HE LYS 94 1HE LYS 94 9.851 14.193 2.296
564 2HE LYS 94 2HE LYS 94 9.933 13.800 4.014
565 1HZ LYS 94 1HZ LYS 94 10.071 16.124 4.541
566 2HZ LYS 94 2HZ LYS 94 8.722 15.871 3.553
567 3HZ LYS 94 3HZ LYS 94 10.129 16.547 2.904
568 H LYS 95 H LYS 95 12.817 13.765 -1.502
569 HA LYS 95 HA LYS 95 14.381 15.897 -2.577
570 1HB LYS 95 1HB LYS 95 11.849 14.501 -3.316
571 2HB LYS 95 2HB LYS 95 12.235 16.040 -4.054
572 1HG LYS 95 1HG LYS 95 14.300 13.917 -4.058
573 2HG LYS 95 2HG LYS 95 12.941 13.782 -5.173
574 1HD LYS 95 1HD LYS 95 14.130 16.449 -5.110
575 2HD LYS 95 2HD LYS 95 15.259 15.193 -5.624
576 1HE LYS 95 1HE LYS 95 13.733 14.475 -7.355
577 2HE LYS 95 2HE LYS 95 12.513 15.618 -6.795
578 1HZ LYS 95 1HZ LYS 95 14.895 17.014 -7.304
579 2HZ LYS 95 2HZ LYS 95 13.401 17.162 -8.084
580 3HZ LYS 95 3HZ LYS 95 14.545 16.052 -8.652
581 H SER 96 H SER 96 10.903 15.950 -2.134
582 HA SER 96 HA SER 96 10.971 18.700 -1.269
583 1HB SER 96 1HB SER 96 9.196 17.577 -2.778
584 2HB SER 96 2HB SER 96 8.510 16.970 -1.273
585 HG SER 96 HG SER 96 9.100 19.688 -1.378
Start of MODEL 11
1 HA PRO 22 HA PRO 22 2.653 -7.537 4.847
2 1HB PRO 22 1HB PRO 22 3.877 -5.719 2.907
3 2HB PRO 22 2HB PRO 22 3.552 -7.448 2.767
4 1HG PRO 22 1HG PRO 22 2.172 -5.624 1.354
5 2HG PRO 22 2HG PRO 22 1.428 -7.119 1.945
6 1HD PRO 22 1HD PRO 22 1.266 -4.359 3.093
7 2HD PRO 22 2HD PRO 22 -0.022 -5.554 2.858
8 H TYR 23 H TYR 23 2.348 -4.128 5.256
9 HA TYR 23 HA TYR 23 4.901 -4.062 6.725
10 1HB TYR 23 1HB TYR 23 3.469 -1.742 5.410
11 2HB TYR 23 2HB TYR 23 5.017 -1.669 6.253
12 HD1 TYR 23 HD1 TYR 23 4.095 -1.091 3.233
13 HD2 TYR 23 HD2 TYR 23 6.242 -4.196 5.203
14 HE1 TYR 23 HE1 TYR 23 5.250 -1.622 1.131
15 HE2 TYR 23 HE2 TYR 23 7.390 -4.734 3.103
16 HH TYR 23 HH TYR 23 7.066 -4.462 0.697
17 H LYS 24 H LYS 24 4.902 -3.193 8.804
18 HA LYS 24 HA LYS 24 2.227 -2.607 9.879
19 1HB LYS 24 1HB LYS 24 4.492 -4.197 11.033
20 2HB LYS 24 2HB LYS 24 3.268 -3.489 12.072
21 1HG LYS 24 1HG LYS 24 2.797 -5.473 9.854
22 2HG LYS 24 2HG LYS 24 2.733 -5.797 11.587
23 1HD LYS 24 1HD LYS 24 0.924 -3.886 10.107
24 2HD LYS 24 2HD LYS 24 0.496 -5.531 10.574
25 1HE LYS 24 1HE LYS 24 0.162 -4.969 12.729
26 2HE LYS 24 2HE LYS 24 1.522 -3.851 12.756
27 1HZ LYS 24 1HZ LYS 24 -0.705 -2.980 11.139
28 2HZ LYS 24 2HZ LYS 24 0.209 -2.122 12.274
29 3HZ LYS 24 3HZ LYS 24 -1.058 -3.115 12.790
30 H THR 25 H THR 25 5.701 -1.787 10.160
31 HA THR 25 HA THR 25 4.840 0.683 11.505
32 HB THR 25 HB THR 25 6.841 0.660 12.843
33 HG1 THR 25 HG1 THR 25 7.834 -1.757 12.420
34 1HG2 THR 25 1HG2 THR 25 6.599 -1.572 14.048
35 2HG2 THR 25 2HG2 THR 25 5.299 -1.904 12.902
36 3HG2 THR 25 3HG2 THR 25 5.188 -0.516 13.984
37 H LYS 26 H LYS 26 7.758 -0.660 9.969
38 HA LYS 26 HA LYS 26 7.829 1.069 7.769
39 1HB LYS 26 1HB LYS 26 8.156 2.767 9.604
40 2HB LYS 26 2HB LYS 26 9.661 1.956 10.007
41 1HG LYS 26 1HG LYS 26 10.741 2.752 8.175
42 2HG LYS 26 2HG LYS 26 9.270 2.823 7.202
43 1HD LYS 26 1HD LYS 26 10.033 5.070 7.692
44 2HD LYS 26 2HD LYS 26 8.515 4.758 8.534
45 1HE LYS 26 1HE LYS 26 10.669 3.975 10.226
46 2HE LYS 26 2HE LYS 26 10.994 5.598 9.619
47 1HZ LYS 26 1HZ LYS 26 9.523 5.162 11.749
48 2HZ LYS 26 2HZ LYS 26 8.298 5.048 10.589
49 3HZ LYS 26 3HZ LYS 26 9.220 6.459 10.705
50 H SER 27 H SER 27 9.982 -0.349 10.225
51 HA SER 27 HA SER 27 12.061 -1.016 8.464
52 1HB SER 27 1HB SER 27 12.439 -0.997 10.851
53 2HB SER 27 2HB SER 27 11.253 -2.282 11.088
54 HG SER 27 HG SER 27 13.287 -3.198 11.077
55 H ASP 28 H ASP 28 8.943 -2.337 8.833
56 HA ASP 28 HA ASP 28 9.421 -5.019 8.089
57 1HB ASP 28 1HB ASP 28 7.012 -3.234 8.059
58 2HB ASP 28 2HB ASP 28 6.943 -4.832 7.324
59 H LEU 29 H LEU 29 9.470 -2.085 6.323
60 HA LEU 29 HA LEU 29 8.659 -2.855 3.792
61 1HB LEU 29 1HB LEU 29 10.851 -0.962 4.607
62 2HB LEU 29 2HB LEU 29 10.237 -1.105 2.970
63 HG LEU 29 HG LEU 29 8.523 -0.350 5.331
64 1HD1 LEU 29 1HD1 LEU 29 10.544 1.181 4.338
65 2HD1 LEU 29 2HD1 LEU 29 9.081 1.798 5.117
66 3HD1 LEU 29 3HD1 LEU 29 9.172 1.703 3.358
67 1HD2 LEU 29 1HD2 LEU 29 8.013 0.052 2.397
68 2HD2 LEU 29 2HD2 LEU 29 6.881 0.255 3.735
69 3HD2 LEU 29 3HD2 LEU 29 7.445 -1.357 3.289
70 HA PRO 30 HA PRO 30 11.597 -5.597 2.053
71 1HB PRO 30 1HB PRO 30 11.950 -3.826 -0.275
72 2HB PRO 30 2HB PRO 30 11.309 -5.462 -0.205
73 1HG PRO 30 1HG PRO 30 9.708 -3.395 -0.657
74 2HG PRO 30 2HG PRO 30 9.198 -4.739 0.364
75 1HD PRO 30 1HD PRO 30 10.228 -2.052 1.186
76 2HD PRO 30 2HD PRO 30 8.844 -2.961 1.813
77 H GLU 31 H GLU 31 13.702 -6.006 2.170
78 HA GLU 31 HA GLU 31 15.534 -4.260 3.254
79 1HB GLU 31 1HB GLU 31 17.284 -5.831 2.440
80 2HB GLU 31 2HB GLU 31 15.942 -6.632 3.244
81 1HG GLU 31 1HG GLU 31 15.072 -6.760 0.719
82 2HG GLU 31 2HG GLU 31 16.812 -6.749 0.430
83 H SER 32 H SER 32 15.138 -5.072 -0.196
84 HA SER 32 HA SER 32 17.139 -3.389 -1.194
85 1HB SER 32 1HB SER 32 15.727 -5.203 -2.375
86 2HB SER 32 2HB SER 32 14.592 -3.898 -2.699
87 HG SER 32 HG SER 32 15.983 -3.972 -4.412
88 H VAL 33 H VAL 33 14.208 -2.626 0.283
89 HA VAL 33 HA VAL 33 13.973 -0.006 -0.987
90 HB VAL 33 HB VAL 33 12.198 -1.384 1.047
91 1HG1 VAL 33 1HG1 VAL 33 12.330 1.264 0.844
92 2HG1 VAL 33 2HG1 VAL 33 10.795 0.424 1.060
93 3HG1 VAL 33 3HG1 VAL 33 11.286 0.958 -0.546
94 1HG2 VAL 33 1HG2 VAL 33 11.359 -0.783 -1.741
95 2HG2 VAL 33 2HG2 VAL 33 10.876 -2.094 -0.667
96 3HG2 VAL 33 3HG2 VAL 33 12.445 -2.149 -1.467
97 H LYS 34 H LYS 34 14.199 -1.430 2.264
98 HA LYS 34 HA LYS 34 14.655 1.002 3.617
99 1HB LYS 34 1HB LYS 34 15.499 -1.793 4.411
100 2HB LYS 34 2HB LYS 34 15.371 -0.410 5.488
101 1HG LYS 34 1HG LYS 34 12.993 -0.339 5.214
102 2HG LYS 34 2HG LYS 34 13.056 -1.581 3.962
103 1HD LYS 34 1HD LYS 34 13.800 -1.933 6.866
104 2HD LYS 34 2HD LYS 34 12.332 -2.521 6.088
105 1HE LYS 34 1HE LYS 34 13.593 -4.027 4.710
106 2HE LYS 34 2HE LYS 34 15.115 -3.340 5.271
107 1HZ LYS 34 1HZ LYS 34 15.099 -4.639 7.052
108 2HZ LYS 34 2HZ LYS 34 13.833 -5.499 6.336
109 3HZ LYS 34 3HZ LYS 34 13.496 -4.257 7.434
110 H HIS 35 H HIS 35 16.760 -1.222 1.910
111 HA HIS 35 HA HIS 35 19.216 -0.102 2.957
112 1HB HIS 35 1HB HIS 35 18.474 -2.447 1.488
113 2HB HIS 35 2HB HIS 35 19.741 -1.604 0.615
114 HD2 HIS 35 HD2 HIS 35 19.346 -3.976 3.551
115 HE1 HIS 35 HE1 HIS 35 23.272 -2.387 3.806
116 HE2 HIS 35 HE2 HIS 35 21.703 -4.195 4.595
117 H VAL 36 H VAL 36 17.313 1.640 1.532
118 HA VAL 36 HA VAL 36 19.210 3.003 -0.157
119 HB VAL 36 HB VAL 36 17.580 3.121 -2.079
120 1HG1 VAL 36 1HG1 VAL 36 18.529 0.317 -1.576
121 2HG1 VAL 36 2HG1 VAL 36 19.637 1.642 -1.929
122 3HG1 VAL 36 3HG1 VAL 36 18.415 1.176 -3.111
123 1HG2 VAL 36 1HG2 VAL 36 15.579 2.368 -0.922
124 2HG2 VAL 36 2HG2 VAL 36 16.322 0.795 -0.619
125 3HG2 VAL 36 3HG2 VAL 36 15.939 1.289 -2.271
126 H LEU 37 H LEU 37 16.007 2.754 1.284
127 HA LEU 37 HA LEU 37 15.452 5.553 0.905
128 1HB LEU 37 1HB LEU 37 13.991 3.201 1.817
129 2HB LEU 37 2HB LEU 37 13.658 4.623 2.782
130 HG LEU 37 HG LEU 37 12.503 5.649 1.128
131 1HD1 LEU 37 1HD1 LEU 37 12.997 5.131 -1.350
132 2HD1 LEU 37 2HD1 LEU 37 14.501 4.450 -0.728
133 3HD1 LEU 37 3HD1 LEU 37 14.115 6.147 -0.433
134 1HD2 LEU 37 1HD2 LEU 37 11.005 4.203 0.237
135 2HD2 LEU 37 2HD2 LEU 37 11.784 3.136 1.405
136 3HD2 LEU 37 3HD2 LEU 37 12.248 3.069 -0.293
137 HA PRO 38 HA PRO 38 17.769 7.106 4.249
138 1HB PRO 38 1HB PRO 38 15.586 9.151 4.142
139 2HB PRO 38 2HB PRO 38 17.341 9.376 4.146
140 1HG PRO 38 1HG PRO 38 16.053 9.617 1.870
141 2HG PRO 38 2HG PRO 38 17.540 8.658 1.912
142 1HD PRO 38 1HD PRO 38 14.693 7.719 1.943
143 2HD PRO 38 2HD PRO 38 16.062 7.144 0.967
144 H SER 39 H SER 39 14.627 8.379 5.227
145 HA SER 39 HA SER 39 14.446 6.416 7.377
146 1HB SER 39 1HB SER 39 15.245 9.232 7.709
147 2HB SER 39 2HB SER 39 13.957 8.703 8.791
148 HG SER 39 HG SER 39 15.885 8.241 9.783
149 H HIS 40 H HIS 40 12.973 9.611 6.878
150 HA HIS 40 HA HIS 40 10.364 8.723 7.455
151 1HB HIS 40 1HB HIS 40 11.226 11.100 7.567
152 2HB HIS 40 2HB HIS 40 11.049 11.156 5.816
153 HD2 HIS 40 HD2 HIS 40 9.044 13.132 6.239
154 HE1 HIS 40 HE1 HIS 40 6.174 10.363 7.683
155 HE2 HIS 40 HE2 HIS 40 6.579 12.727 6.910
156 H ALA 41 H ALA 41 12.252 8.277 4.682
157 HA ALA 41 HA ALA 41 10.235 8.366 2.686
158 1HB ALA 41 1HB ALA 41 12.779 8.402 2.385
159 2HB ALA 41 2HB ALA 41 11.839 7.460 1.234
160 3HB ALA 41 3HB ALA 41 12.698 6.654 2.548
161 H GLN 42 H GLN 42 11.427 5.911 4.868
162 HA GLN 42 HA GLN 42 10.122 3.704 3.646
163 1HB GLN 42 1HB GLN 42 11.041 4.058 6.506
164 2HB GLN 42 2HB GLN 42 10.691 2.529 5.723
165 1HG GLN 42 1HG GLN 42 12.668 2.461 4.695
166 2HG GLN 42 2HG GLN 42 12.618 4.184 4.303
167 1HE2 GLN 42 1HE2 GLN 42 14.848 4.281 4.854
168 2HE2 GLN 42 2HE2 GLN 42 15.350 4.349 6.505
169 H ASP 43 H ASP 43 9.252 6.025 6.152
170 HA ASP 43 HA ASP 43 6.800 4.792 6.918
171 1HB ASP 43 1HB ASP 43 7.973 6.582 8.245
172 2HB ASP 43 2HB ASP 43 7.526 7.739 6.996
173 H ILE 44 H ILE 44 7.772 7.248 4.618
174 HA ILE 44 HA ILE 44 5.286 7.933 3.512
175 HB ILE 44 HB ILE 44 8.091 7.862 2.370
176 1HG1 ILE 44 1HG1 ILE 44 6.275 10.136 3.194
177 2HG1 ILE 44 2HG1 ILE 44 7.597 9.499 4.155
178 1HG2 ILE 44 1HG2 ILE 44 6.385 7.599 0.543
179 2HG2 ILE 44 2HG2 ILE 44 7.342 9.072 0.429
180 3HG2 ILE 44 3HG2 ILE 44 5.689 9.142 1.036
181 1HD1 ILE 44 1HD1 ILE 44 7.646 11.249 1.790
182 2HD1 ILE 44 2HD1 ILE 44 8.939 10.065 1.931
183 3HD1 ILE 44 3HD1 ILE 44 8.673 11.243 3.219
184 H TYR 45 H TYR 45 7.741 5.652 2.436
185 HA TYR 45 HA TYR 45 6.474 4.448 0.318
186 1HB TYR 45 1HB TYR 45 8.825 4.054 1.142
187 2HB TYR 45 2HB TYR 45 8.130 2.977 2.338
188 HD1 TYR 45 HD1 TYR 45 6.423 1.179 1.233
189 HD2 TYR 45 HD2 TYR 45 9.685 3.071 -0.723
190 HE1 TYR 45 HE1 TYR 45 6.490 -0.655 -0.405
191 HE2 TYR 45 HE2 TYR 45 9.760 1.247 -2.371
192 HH TYR 45 HH TYR 45 7.720 -0.565 -3.212
193 H LYS 46 H LYS 46 6.574 3.134 3.619
194 HA LYS 46 HA LYS 46 4.729 1.115 3.327
195 1HB LYS 46 1HB LYS 46 6.088 1.262 5.299
196 2HB LYS 46 2HB LYS 46 5.387 2.814 5.735
197 1HG LYS 46 1HG LYS 46 3.206 1.682 6.042
198 2HG LYS 46 2HG LYS 46 4.007 0.141 5.751
199 1HD LYS 46 1HD LYS 46 4.636 0.046 7.880
200 2HD LYS 46 2HD LYS 46 5.488 1.583 7.713
201 1HE LYS 46 1HE LYS 46 3.934 1.897 9.462
202 2HE LYS 46 2HE LYS 46 3.244 2.708 8.057
203 1HZ LYS 46 1HZ LYS 46 2.492 0.030 9.096
204 2HZ LYS 46 2HZ LYS 46 1.885 0.713 7.672
205 3HZ LYS 46 3HZ LYS 46 1.557 1.439 9.164
206 H GLU 47 H GLU 47 4.072 4.427 4.489
207 HA GLU 47 HA GLU 47 1.328 4.121 4.860
208 1HB GLU 47 1HB GLU 47 2.895 6.586 4.119
209 2HB GLU 47 2HB GLU 47 1.208 6.593 4.611
210 1HG GLU 47 1HG GLU 47 2.638 5.155 6.571
211 2HG GLU 47 2HG GLU 47 3.544 6.627 6.228
212 H ALA 48 H ALA 48 3.123 5.021 1.957
213 HA ALA 48 HA ALA 48 0.760 5.530 0.428
214 1HB ALA 48 1HB ALA 48 2.466 5.310 -1.511
215 2HB ALA 48 2HB ALA 48 3.664 5.302 -0.212
216 3HB ALA 48 3HB ALA 48 2.580 6.679 -0.406
217 H PHE 49 H PHE 49 2.954 2.838 0.890
218 HA PHE 49 HA PHE 49 1.903 1.125 -1.074
219 1HB PHE 49 1HB PHE 49 4.046 0.653 -0.018
220 2HB PHE 49 2HB PHE 49 3.272 0.490 1.548
221 HD1 PHE 49 HD1 PHE 49 1.437 -1.386 1.694
222 HD2 PHE 49 HD2 PHE 49 4.473 -1.206 -1.285
223 HE1 PHE 49 HE1 PHE 49 1.129 -3.783 1.239
224 HE2 PHE 49 HE2 PHE 49 4.170 -3.600 -1.737
225 HZ PHE 49 HZ PHE 49 2.495 -4.898 -0.484
226 H ASN 50 H ASN 50 1.223 1.395 2.419
227 HA ASN 50 HA ASN 50 -0.747 -0.563 2.568
228 1HB ASN 50 1HB ASN 50 0.189 1.658 4.229
229 2HB ASN 50 2HB ASN 50 -1.522 1.298 4.450
230 1HD2 ASN 50 1HD2 ASN 50 1.603 -0.355 4.186
231 2HD2 ASN 50 2HD2 ASN 50 1.272 -1.539 5.399
232 H SER 51 H SER 51 -1.062 2.926 1.919
233 HA SER 51 HA SER 51 -3.842 3.073 1.854
234 1HB SER 51 1HB SER 51 -1.946 4.919 1.556
235 2HB SER 51 2HB SER 51 -2.287 4.649 -0.153
236 HG SER 51 HG SER 51 -4.606 4.912 0.643
237 H ALA 52 H ALA 52 -1.547 2.259 -0.708
238 HA ALA 52 HA ALA 52 -3.509 1.889 -2.730
239 1HB ALA 52 1HB ALA 52 -1.769 1.017 -4.064
240 2HB ALA 52 2HB ALA 52 -0.822 0.549 -2.652
241 3HB ALA 52 3HB ALA 52 -1.015 2.254 -3.056
242 H TRP 53 H TRP 53 -2.111 -0.126 -0.240
243 HA TRP 53 HA TRP 53 -3.029 -2.635 -1.200
244 1HB TRP 53 1HB TRP 53 -1.349 -2.837 0.398
245 2HB TRP 53 2HB TRP 53 -1.978 -1.530 1.385
246 HD1 TRP 53 HD1 TRP 53 -2.060 -5.281 0.999
247 HE1 TRP 53 HE1 TRP 53 -3.367 -6.317 2.948
248 HE3 TRP 53 HE3 TRP 53 -4.014 -1.018 3.030
249 HZ2 TRP 53 HZ2 TRP 53 -5.014 -5.453 5.068
250 HZ3 TRP 53 HZ3 TRP 53 -5.444 -1.210 5.021
251 HH2 TRP 53 HH2 TRP 53 -5.930 -3.383 6.019
252 H ASP 54 H ASP 54 -4.313 -0.386 1.279
253 HA ASP 54 HA ASP 54 -6.713 -1.833 1.701
254 1HB ASP 54 1HB ASP 54 -5.560 0.054 3.137
255 2HB ASP 54 2HB ASP 54 -6.550 1.125 2.153
256 H GLN 55 H GLN 55 -5.782 0.802 -0.428
257 HA GLN 55 HA GLN 55 -8.395 1.376 -1.376
258 1HB GLN 55 1HB GLN 55 -5.638 1.990 -2.391
259 2HB GLN 55 2HB GLN 55 -7.054 2.376 -3.361
260 1HG GLN 55 1HG GLN 55 -7.782 3.480 -1.025
261 2HG GLN 55 2HG GLN 55 -6.031 3.644 -0.909
262 1HE2 GLN 55 1HE2 GLN 55 -4.983 5.083 -2.192
263 2HE2 GLN 55 2HE2 GLN 55 -5.785 6.192 -3.246
264 H TYR 56 H TYR 56 -6.035 -0.976 -2.130
265 HA TYR 56 HA TYR 56 -7.044 -1.746 -4.684
266 1HB TYR 56 1HB TYR 56 -4.737 -2.223 -3.374
267 2HB TYR 56 2HB TYR 56 -5.577 -3.724 -3.039
268 HD1 TYR 56 HD1 TYR 56 -4.854 -1.483 -5.940
269 HD2 TYR 56 HD2 TYR 56 -5.284 -5.448 -4.480
270 HE1 TYR 56 HE1 TYR 56 -4.182 -2.357 -8.131
271 HE2 TYR 56 HE2 TYR 56 -4.615 -6.334 -6.657
272 HH TYR 56 HH TYR 56 -3.049 -5.083 -8.766
273 H LYS 57 H LYS 57 -9.265 -1.578 -3.137
274 HA LYS 57 HA LYS 57 -9.976 -4.091 -1.955
275 1HB LYS 57 1HB LYS 57 -11.162 -1.442 -2.230
276 2HB LYS 57 2HB LYS 57 -12.345 -2.731 -2.420
277 1HG LYS 57 1HG LYS 57 -11.063 -3.614 -0.234
278 2HG LYS 57 2HG LYS 57 -10.838 -1.874 -0.039
279 1HD LYS 57 1HD LYS 57 -12.852 -2.422 1.085
280 2HD LYS 57 2HD LYS 57 -13.318 -1.627 -0.419
281 1HE LYS 57 1HE LYS 57 -13.374 -4.093 -1.326
282 2HE LYS 57 2HE LYS 57 -13.573 -4.487 0.381
283 1HZ LYS 57 1HZ LYS 57 -15.336 -2.445 -0.063
284 2HZ LYS 57 2HZ LYS 57 -15.719 -4.086 0.067
285 3HZ LYS 57 3HZ LYS 57 -15.464 -3.398 -1.457
286 H ASP 58 H ASP 58 -9.483 -3.361 -5.067
287 HA ASP 58 HA ASP 58 -11.826 -4.470 -6.289
288 1HB ASP 58 1HB ASP 58 -9.935 -2.832 -7.224
289 2HB ASP 58 2HB ASP 58 -9.227 -4.361 -7.740
290 H LYS 59 H LYS 59 -8.693 -5.624 -5.253
291 HA LYS 59 HA LYS 59 -9.512 -8.312 -5.155
292 1HB LYS 59 1HB LYS 59 -9.218 -7.796 -7.690
293 2HB LYS 59 2HB LYS 59 -7.501 -7.891 -7.317
294 1HG LYS 59 1HG LYS 59 -7.628 -10.081 -7.570
295 2HG LYS 59 2HG LYS 59 -8.628 -10.126 -6.115
296 1HD LYS 59 1HD LYS 59 -10.617 -9.696 -7.592
297 2HD LYS 59 2HD LYS 59 -9.552 -9.932 -8.978
298 1HE LYS 59 1HE LYS 59 -9.679 -12.141 -8.787
299 2HE LYS 59 2HE LYS 59 -9.242 -12.077 -7.085
300 1HZ LYS 59 1HZ LYS 59 -11.984 -11.425 -7.944
301 2HZ LYS 59 2HZ LYS 59 -11.441 -11.970 -6.439
302 3HZ LYS 59 3HZ LYS 59 -11.513 -13.039 -7.745
303 H GLU 60 H GLU 60 -8.260 -6.667 -3.376
304 HA GLU 60 HA GLU 60 -5.445 -6.926 -3.367
305 1HB GLU 60 1HB GLU 60 -5.712 -6.358 -0.875
306 2HB GLU 60 2HB GLU 60 -6.189 -5.161 -2.061
307 1HG GLU 60 1HG GLU 60 -8.513 -5.686 -1.739
308 2HG GLU 60 2HG GLU 60 -8.100 -7.032 -0.684
309 H ASP 61 H ASP 61 -7.820 -8.536 -1.246
310 HA ASP 61 HA ASP 61 -5.815 -10.640 -0.822
311 1HB ASP 61 1HB ASP 61 -6.717 -9.296 1.163
312 2HB ASP 61 2HB ASP 61 -8.219 -10.185 0.931
313 H ARG 62 H ARG 62 -7.268 -10.793 -3.176
314 HA ARG 62 HA ARG 62 -9.247 -12.882 -2.598
315 1HB ARG 62 1HB ARG 62 -8.845 -11.500 -5.241
316 2HB ARG 62 2HB ARG 62 -10.232 -12.443 -4.716
317 1HG ARG 62 1HG ARG 62 -10.552 -10.670 -2.918
318 2HG ARG 62 2HG ARG 62 -9.400 -9.696 -3.839
319 1HD ARG 62 1HD ARG 62 -10.826 -9.751 -5.769
320 2HD ARG 62 2HD ARG 62 -11.924 -10.884 -4.987
321 HE ARG 62 HE ARG 62 -11.702 -8.510 -3.464
322 1HH1 ARG 62 1HH1 ARG 62 -13.128 -9.762 -6.395
323 2HH1 ARG 62 2HH1 ARG 62 -14.428 -8.618 -6.402
324 1HH2 ARG 62 1HH2 ARG 62 -13.411 -6.993 -3.480
325 2HH2 ARG 62 2HH2 ARG 62 -14.589 -7.047 -4.748
326 H ARG 63 H ARG 63 -8.182 -13.033 -5.824
327 HA ARG 63 HA ARG 63 -6.671 -15.450 -5.180
328 1HB ARG 63 1HB ARG 63 -7.007 -16.095 -7.509
329 2HB ARG 63 2HB ARG 63 -8.540 -15.709 -6.740
330 1HG ARG 63 1HG ARG 63 -7.935 -13.314 -7.819
331 2HG ARG 63 2HG ARG 63 -7.159 -14.395 -8.979
332 1HD ARG 63 1HD ARG 63 -9.407 -15.687 -8.893
333 2HD ARG 63 2HD ARG 63 -10.048 -14.193 -8.219
334 HE ARG 63 HE ARG 63 -9.872 -13.207 -10.287
335 1HH1 ARG 63 1HH1 ARG 63 -8.165 -16.250 -10.308
336 2HH1 ARG 63 2HH1 ARG 63 -7.973 -16.271 -12.028
337 1HH2 ARG 63 1HH2 ARG 63 -9.621 -13.233 -12.548
338 2HH2 ARG 63 2HH2 ARG 63 -8.791 -14.552 -13.300
339 H ASP 64 H ASP 64 -6.413 -12.440 -7.004
340 HA ASP 64 HA ASP 64 -3.594 -12.990 -7.551
341 1HB ASP 64 1HB ASP 64 -5.284 -12.121 -9.300
342 2HB ASP 64 2HB ASP 64 -5.106 -10.572 -8.488
343 H ASP 65 H ASP 65 -3.827 -12.698 -4.960
344 HA ASP 65 HA ASP 65 -3.896 -10.145 -3.860
345 1HB ASP 65 1HB ASP 65 -2.228 -12.440 -2.821
346 2HB ASP 65 2HB ASP 65 -2.898 -11.101 -1.895
347 H ALA 66 H ALA 66 -1.182 -11.909 -5.273
348 HA ALA 66 HA ALA 66 0.909 -10.297 -4.404
349 1HB ALA 66 1HB ALA 66 2.219 -11.373 -5.890
350 2HB ALA 66 2HB ALA 66 1.057 -11.211 -7.207
351 3HB ALA 66 3HB ALA 66 0.822 -12.449 -5.972
352 H SER 67 H SER 67 -1.230 -9.850 -7.201
353 HA SER 67 HA SER 67 -0.026 -7.671 -8.400
354 1HB SER 67 1HB SER 67 -2.109 -8.929 -9.140
355 2HB SER 67 2HB SER 67 -3.015 -7.894 -8.042
356 HG SER 67 HG SER 67 -2.998 -7.003 -10.119
357 H ARG 68 H ARG 68 -2.246 -7.774 -5.669
358 HA ARG 68 HA ARG 68 -2.553 -5.037 -5.225
359 1HB ARG 68 1HB ARG 68 -3.860 -6.721 -4.010
360 2HB ARG 68 2HB ARG 68 -2.399 -7.281 -3.197
361 1HG ARG 68 1HG ARG 68 -3.085 -4.414 -2.917
362 2HG ARG 68 2HG ARG 68 -4.095 -5.583 -2.067
363 1HD ARG 68 1HD ARG 68 -1.092 -5.547 -1.882
364 2HD ARG 68 2HD ARG 68 -2.142 -4.677 -0.767
365 HE ARG 68 HE ARG 68 -3.152 -7.083 -0.498
366 1HH1 ARG 68 1HH1 ARG 68 0.215 -6.182 -0.740
367 2HH1 ARG 68 2HH1 ARG 68 0.768 -7.524 0.199
368 1HH2 ARG 68 1HH2 ARG 68 -2.421 -8.828 0.771
369 2HH2 ARG 68 2HH2 ARG 68 -0.727 -9.010 1.079
370 H GLU 69 H GLU 69 -0.337 -7.233 -3.511
371 HA GLU 69 HA GLU 69 1.221 -5.373 -2.231
372 1HB GLU 69 1HB GLU 69 1.387 -7.826 -1.925
373 2HB GLU 69 2HB GLU 69 2.195 -7.958 -3.486
374 1HG GLU 69 1HG GLU 69 4.101 -6.841 -2.694
375 2HG GLU 69 2HG GLU 69 3.257 -6.240 -1.277
376 H GLU 70 H GLU 70 1.728 -6.760 -5.468
377 HA GLU 70 HA GLU 70 3.985 -5.398 -6.253
378 1HB GLU 70 1HB GLU 70 2.586 -7.183 -7.495
379 2HB GLU 70 2HB GLU 70 1.654 -5.826 -8.110
380 1HG GLU 70 1HG GLU 70 3.159 -6.088 -9.793
381 2HG GLU 70 2HG GLU 70 4.015 -4.915 -8.790
382 H THR 71 H THR 71 0.644 -4.417 -7.027
383 HA THR 71 HA THR 71 1.197 -1.896 -8.031
384 HB THR 71 HB THR 71 -1.218 -2.787 -6.438
385 HG1 THR 71 HG1 THR 71 -1.136 -3.958 -8.275
386 1HG2 THR 71 1HG2 THR 71 -2.366 -0.965 -7.791
387 2HG2 THR 71 2HG2 THR 71 -0.747 -0.306 -8.058
388 3HG2 THR 71 3HG2 THR 71 -1.381 -0.454 -6.418
389 H ALA 72 H ALA 72 0.391 -2.738 -4.653
390 HA ALA 72 HA ALA 72 0.542 -0.219 -3.555
391 1HB ALA 72 1HB ALA 72 -0.160 -1.756 -2.014
392 2HB ALA 72 2HB ALA 72 1.510 -1.570 -1.506
393 3HB ALA 72 3HB ALA 72 1.045 -2.951 -2.492
394 H HIS 73 H HIS 73 3.156 -2.504 -4.190
395 HA HIS 73 HA HIS 73 5.301 -1.001 -3.191
396 1HB HIS 73 1HB HIS 73 5.072 -3.047 -5.384
397 2HB HIS 73 2HB HIS 73 6.589 -2.195 -5.136
398 HD2 HIS 73 HD2 HIS 73 4.657 -5.179 -3.736
399 HE1 HIS 73 HE1 HIS 73 7.906 -4.454 -1.105
400 HE2 HIS 73 HE2 HIS 73 6.012 -6.006 -1.695
401 H LYS 74 H LYS 74 3.808 -1.084 -6.403
402 HA LYS 74 HA LYS 74 5.376 0.832 -7.673
403 1HB LYS 74 1HB LYS 74 2.538 -0.088 -8.095
404 2HB LYS 74 2HB LYS 74 3.256 1.163 -9.101
405 1HG LYS 74 1HG LYS 74 4.345 -0.324 -10.317
406 2HG LYS 74 2HG LYS 74 4.993 -1.134 -8.898
407 1HD LYS 74 1HD LYS 74 3.740 -2.798 -9.908
408 2HD LYS 74 2HD LYS 74 2.612 -2.150 -8.724
409 1HE LYS 74 1HE LYS 74 2.574 -0.822 -11.346
410 2HE LYS 74 2HE LYS 74 2.048 -2.504 -11.354
411 1HZ LYS 74 1HZ LYS 74 0.957 -0.462 -9.500
412 2HZ LYS 74 2HZ LYS 74 0.362 -2.020 -9.779
413 3HZ LYS 74 3HZ LYS 74 0.250 -0.844 -10.989
414 H VAL 75 H VAL 75 2.420 1.180 -5.791
415 HA VAL 75 HA VAL 75 2.125 3.962 -6.200
416 HB VAL 75 HB VAL 75 1.107 2.255 -3.930
417 1HG1 VAL 75 1HG1 VAL 75 -0.702 4.157 -4.052
418 2HG1 VAL 75 2HG1 VAL 75 0.628 5.084 -4.751
419 3HG1 VAL 75 3HG1 VAL 75 0.786 4.393 -3.136
420 1HG2 VAL 75 1HG2 VAL 75 0.122 2.859 -6.685
421 2HG2 VAL 75 2HG2 VAL 75 -1.018 2.471 -5.393
422 3HG2 VAL 75 3HG2 VAL 75 0.228 1.308 -5.852
423 H ALA 76 H ALA 76 3.218 2.156 -3.329
424 HA ALA 76 HA ALA 76 3.973 4.221 -1.721
425 1HB ALA 76 1HB ALA 76 4.804 1.423 -1.989
426 2HB ALA 76 2HB ALA 76 4.260 2.325 -0.575
427 3HB ALA 76 3HB ALA 76 5.928 2.474 -1.127
428 H TRP 77 H TRP 77 5.964 2.700 -4.207
429 HA TRP 77 HA TRP 77 8.264 4.254 -3.788
430 1HB TRP 77 1HB TRP 77 7.218 2.622 -6.032
431 2HB TRP 77 2HB TRP 77 8.445 3.818 -6.434
432 HD1 TRP 77 HD1 TRP 77 8.145 0.375 -5.393
433 HE1 TRP 77 HE1 TRP 77 10.362 -0.549 -4.470
434 HE3 TRP 77 HE3 TRP 77 10.611 4.785 -4.718
435 HZ2 TRP 77 HZ2 TRP 77 12.832 0.471 -3.557
436 HZ3 TRP 77 HZ3 TRP 77 12.893 4.730 -3.804
437 HH2 TRP 77 HH2 TRP 77 13.981 2.618 -3.238
438 H ALA 78 H ALA 78 5.385 4.804 -5.767
439 HA ALA 78 HA ALA 78 6.132 7.112 -7.104
440 1HB ALA 78 1HB ALA 78 3.640 5.801 -6.435
441 2HB ALA 78 2HB ALA 78 4.061 6.753 -7.856
442 3HB ALA 78 3HB ALA 78 3.472 7.554 -6.399
443 H ALA 79 H ALA 79 4.782 6.763 -3.837
444 HA ALA 79 HA ALA 79 4.747 9.509 -3.185
445 1HB ALA 79 1HB ALA 79 3.455 8.296 -1.726
446 2HB ALA 79 2HB ALA 79 4.934 8.444 -0.779
447 3HB ALA 79 3HB ALA 79 4.598 6.953 -1.661
448 H VAL 80 H VAL 80 7.058 6.901 -2.667
449 HA VAL 80 HA VAL 80 8.991 8.323 -1.266
450 HB VAL 80 HB VAL 80 9.294 5.940 -3.113
451 1HG1 VAL 80 1HG1 VAL 80 11.495 6.126 -2.863
452 2HG1 VAL 80 2HG1 VAL 80 11.296 6.028 -1.112
453 3HG1 VAL 80 3HG1 VAL 80 11.284 7.595 -1.914
454 1HG2 VAL 80 1HG2 VAL 80 9.298 5.994 -0.103
455 2HG2 VAL 80 2HG2 VAL 80 9.088 4.619 -1.187
456 3HG2 VAL 80 3HG2 VAL 80 7.811 5.822 -1.038
457 H LYS 81 H LYS 81 8.670 7.765 -4.787
458 HA LYS 81 HA LYS 81 10.972 9.231 -5.497
459 1HB LYS 81 1HB LYS 81 8.487 8.540 -7.067
460 2HB LYS 81 2HB LYS 81 9.923 9.272 -7.768
461 1HG LYS 81 1HG LYS 81 11.141 7.353 -7.631
462 2HG LYS 81 2HG LYS 81 10.250 6.755 -6.229
463 1HD LYS 81 1HD LYS 81 8.332 6.251 -7.638
464 2HD LYS 81 2HD LYS 81 9.173 6.907 -9.045
465 1HE LYS 81 1HE LYS 81 10.854 4.966 -7.818
466 2HE LYS 81 2HE LYS 81 9.247 4.268 -8.006
467 1HZ LYS 81 1HZ LYS 81 10.527 3.831 -9.958
468 2HZ LYS 81 2HZ LYS 81 10.913 5.468 -10.148
469 3HZ LYS 81 3HZ LYS 81 9.318 4.945 -10.358
470 H HIS 82 H HIS 82 7.928 10.232 -4.392
471 HA HIS 82 HA HIS 82 7.961 12.801 -5.743
472 1HB HIS 82 1HB HIS 82 5.872 11.398 -5.026
473 2HB HIS 82 2HB HIS 82 6.142 12.131 -3.449
474 HD2 HIS 82 HD2 HIS 82 5.606 14.898 -3.309
475 HE1 HIS 82 HE1 HIS 82 3.828 15.131 -7.155
476 HE2 HIS 82 HE2 HIS 82 4.155 16.284 -4.938
477 H GLU 83 H GLU 83 8.294 11.562 -2.450
478 HA GLU 83 HA GLU 83 9.216 14.166 -1.500
479 1HB GLU 83 1HB GLU 83 9.050 11.779 0.274
480 2HB GLU 83 2HB GLU 83 8.684 13.463 0.623
481 1HG GLU 83 1HG GLU 83 6.780 12.909 -1.203
482 2HG GLU 83 2HG GLU 83 6.962 11.331 -0.435
483 H TYR 84 H TYR 84 10.485 11.240 -2.621
484 HA TYR 84 HA TYR 84 13.145 11.979 -1.626
485 1HB TYR 84 1HB TYR 84 11.820 9.281 -1.499
486 2HB TYR 84 2HB TYR 84 13.572 9.426 -1.517
487 HD1 TYR 84 HD1 TYR 84 14.763 10.140 0.424
488 HD2 TYR 84 HD2 TYR 84 10.516 10.233 0.381
489 HE1 TYR 84 HE1 TYR 84 14.757 10.573 2.843
490 HE2 TYR 84 HE2 TYR 84 10.505 10.669 2.807
491 HH TYR 84 HH TYR 84 13.123 10.209 4.774
492 H ALA 85 H ALA 85 14.879 11.482 -2.934
493 HA ALA 85 HA ALA 85 14.230 10.685 -5.704
494 1HB ALA 85 1HB ALA 85 15.638 13.051 -4.669
495 2HB ALA 85 2HB ALA 85 14.778 12.814 -6.192
496 3HB ALA 85 3HB ALA 85 16.437 12.235 -6.018
497 H LYS 86 H LYS 86 15.733 9.396 -6.797
498 HA LYS 86 HA LYS 86 17.636 8.015 -5.070
499 1HB LYS 86 1HB LYS 86 16.046 6.775 -6.614
500 2HB LYS 86 2HB LYS 86 17.026 7.360 -7.942
501 1HG LYS 86 1HG LYS 86 18.950 6.199 -7.088
502 2HG LYS 86 2HG LYS 86 18.054 5.703 -5.651
503 1HD LYS 86 1HD LYS 86 17.628 3.823 -6.800
504 2HD LYS 86 2HD LYS 86 16.447 4.801 -7.675
505 1HE LYS 86 1HE LYS 86 18.834 5.348 -8.958
506 2HE LYS 86 2HE LYS 86 18.947 3.630 -8.587
507 1HZ LYS 86 1HZ LYS 86 17.355 3.127 -10.058
508 2HZ LYS 86 2HZ LYS 86 17.699 4.639 -10.732
509 3HZ LYS 86 3HZ LYS 86 16.398 4.466 -9.663
510 H GLY 87 H GLY 87 19.720 8.661 -5.018
511 1HA GLY 87 1HA GLY 87 20.713 10.632 -6.756
512 2HA GLY 87 2HA GLY 87 21.683 9.638 -5.680
513 H ASP 88 H ASP 88 23.167 9.905 -7.661
514 HA ASP 88 HA ASP 88 22.443 8.313 -9.941
515 1HB ASP 88 1HB ASP 88 24.802 8.847 -10.676
516 2HB ASP 88 2HB ASP 88 23.753 10.235 -10.406
517 H ASP 89 H ASP 89 22.580 6.852 -7.366
518 HA ASP 89 HA ASP 89 24.606 4.911 -8.193
519 1HB ASP 89 1HB ASP 89 23.939 5.448 -5.308
520 2HB ASP 89 2HB ASP 89 25.249 4.458 -5.941
521 H ASP 90 H ASP 90 22.419 4.720 -5.524
522 HA ASP 90 HA ASP 90 20.316 3.339 -6.746
523 1HB ASP 90 1HB ASP 90 22.624 1.730 -6.278
524 2HB ASP 90 2HB ASP 90 21.394 1.259 -5.114
525 H LYS 91 H LYS 91 21.046 5.366 -4.828
526 HA LYS 91 HA LYS 91 19.534 4.374 -2.503
527 1HB LYS 91 1HB LYS 91 22.067 5.858 -2.676
528 2HB LYS 91 2HB LYS 91 20.945 6.435 -1.472
529 1HG LYS 91 1HG LYS 91 20.839 4.117 -0.572
530 2HG LYS 91 2HG LYS 91 22.098 3.675 -1.729
531 1HD LYS 91 1HD LYS 91 23.122 5.929 -0.487
532 2HD LYS 91 2HD LYS 91 22.302 5.056 0.835
533 1HE LYS 91 1HE LYS 91 23.536 3.000 0.104
534 2HE LYS 91 2HE LYS 91 24.453 4.011 -1.012
535 1HZ LYS 91 1HZ LYS 91 24.346 4.801 1.806
536 2HZ LYS 91 2HZ LYS 91 25.586 5.009 0.675
537 3HZ LYS 91 3HZ LYS 91 25.332 3.493 1.384
538 H TRP 92 H TRP 92 18.293 6.026 -1.398
539 HA TRP 92 HA TRP 92 17.515 8.205 -3.209
540 1HB TRP 92 1HB TRP 92 15.766 6.665 -1.288
541 2HB TRP 92 2HB TRP 92 15.236 8.015 -2.285
542 HD1 TRP 92 HD1 TRP 92 16.685 4.451 -2.758
543 HE1 TRP 92 HE1 TRP 92 15.707 3.472 -4.925
544 HE3 TRP 92 HE3 TRP 92 14.029 8.514 -4.350
545 HZ2 TRP 92 HZ2 TRP 92 14.027 4.312 -7.032
546 HZ3 TRP 92 HZ3 TRP 92 12.761 8.345 -6.452
547 HH2 TRP 92 HH2 TRP 92 12.764 6.287 -7.765
548 H HIS 93 H HIS 93 16.702 10.136 -2.258
549 HA HIS 93 HA HIS 93 17.270 10.613 0.565
550 1HB HIS 93 1HB HIS 93 18.545 12.670 0.040
551 2HB HIS 93 2HB HIS 93 19.361 11.224 -0.540
552 HD2 HIS 93 HD2 HIS 93 18.836 10.807 -3.447
553 HE1 HIS 93 HE1 HIS 93 18.548 14.998 -4.064
554 HE2 HIS 93 HE2 HIS 93 18.736 12.740 -5.166
555 H LYS 94 H LYS 94 15.883 12.175 1.453
556 HA LYS 94 HA LYS 94 13.485 12.593 0.126
557 1HB LYS 94 1HB LYS 94 14.011 12.837 2.658
558 2HB LYS 94 2HB LYS 94 14.302 14.524 2.248
559 1HG LYS 94 1HG LYS 94 12.044 14.605 1.202
560 2HG LYS 94 2HG LYS 94 11.761 12.970 1.799
561 1HD LYS 94 1HD LYS 94 12.370 13.963 4.115
562 2HD LYS 94 2HD LYS 94 12.046 15.520 3.347
563 1HE LYS 94 1HE LYS 94 9.844 14.314 2.567
564 2HE LYS 94 2HE LYS 94 10.181 13.268 3.945
565 1HZ LYS 94 1HZ LYS 94 8.716 15.309 4.309
566 2HZ LYS 94 2HZ LYS 94 10.148 16.206 4.243
567 3HZ LYS 94 3HZ LYS 94 9.949 15.020 5.431
568 H LYS 95 H LYS 95 12.845 13.801 -1.380
569 HA LYS 95 HA LYS 95 14.428 15.950 -2.410
570 1HB LYS 95 1HB LYS 95 12.045 14.420 -3.268
571 2HB LYS 95 2HB LYS 95 12.251 16.039 -3.904
572 1HG LYS 95 1HG LYS 95 14.575 14.221 -3.995
573 2HG LYS 95 2HG LYS 95 13.248 13.931 -5.125
574 1HD LYS 95 1HD LYS 95 14.128 16.730 -4.894
575 2HD LYS 95 2HD LYS 95 15.310 15.621 -5.595
576 1HE LYS 95 1HE LYS 95 13.386 14.815 -7.080
577 2HE LYS 95 2HE LYS 95 12.543 16.274 -6.561
578 1HZ LYS 95 1HZ LYS 95 14.321 16.068 -8.634
579 2HZ LYS 95 2HZ LYS 95 15.203 16.841 -7.415
580 3HZ LYS 95 3HZ LYS 95 13.742 17.503 -7.949
581 H SER 96 H SER 96 10.931 15.924 -2.084
582 HA SER 96 HA SER 96 10.896 18.677 -1.240
583 1HB SER 96 1HB SER 96 8.901 16.675 -2.110
584 2HB SER 96 2HB SER 96 8.315 17.893 -0.978
585 HG SER 96 HG SER 96 9.729 18.492 -3.361
Start of MODEL 12
1 HA PRO 22 HA PRO 22 2.857 -7.518 4.507
2 1HB PRO 22 1HB PRO 22 3.989 -5.532 2.664
3 2HB PRO 22 2HB PRO 22 3.760 -7.269 2.440
4 1HG PRO 22 1HG PRO 22 2.262 -5.483 1.124
5 2HG PRO 22 2HG PRO 22 1.590 -7.020 1.687
6 1HD PRO 22 1HD PRO 22 1.354 -4.302 2.924
7 2HD PRO 22 2HD PRO 22 0.104 -5.533 2.666
8 H TYR 23 H TYR 23 2.481 -4.148 5.130
9 HA TYR 23 HA TYR 23 5.054 -4.101 6.569
10 1HB TYR 23 1HB TYR 23 3.529 -1.740 5.461
11 2HB TYR 23 2HB TYR 23 5.116 -1.699 6.228
12 HD1 TYR 23 HD1 TYR 23 4.097 -0.864 3.335
13 HD2 TYR 23 HD2 TYR 23 6.251 -4.181 4.915
14 HE1 TYR 23 HE1 TYR 23 5.149 -1.218 1.145
15 HE2 TYR 23 HE2 TYR 23 7.301 -4.542 2.730
16 HH TYR 23 HH TYR 23 6.739 -4.009 0.292
17 H LYS 24 H LYS 24 5.054 -3.426 8.714
18 HA LYS 24 HA LYS 24 2.382 -3.002 9.861
19 1HB LYS 24 1HB LYS 24 4.807 -4.290 11.096
20 2HB LYS 24 2HB LYS 24 3.308 -3.960 11.956
21 1HG LYS 24 1HG LYS 24 3.579 -5.724 9.535
22 2HG LYS 24 2HG LYS 24 3.447 -6.284 11.203
23 1HD LYS 24 1HD LYS 24 1.366 -4.601 9.804
24 2HD LYS 24 2HD LYS 24 1.309 -6.361 9.905
25 1HE LYS 24 1HE LYS 24 0.256 -6.149 11.850
26 2HE LYS 24 2HE LYS 24 1.743 -5.484 12.523
27 1HZ LYS 24 1HZ LYS 24 -0.718 -4.186 12.046
28 2HZ LYS 24 2HZ LYS 24 0.497 -3.421 11.152
29 3HZ LYS 24 3HZ LYS 24 0.660 -3.592 12.825
30 H THR 25 H THR 25 5.808 -1.990 10.211
31 HA THR 25 HA THR 25 4.779 0.448 11.498
32 HB THR 25 HB THR 25 6.706 0.533 12.938
33 HG1 THR 25 HG1 THR 25 8.440 -0.546 12.513
34 1HG2 THR 25 1HG2 THR 25 5.035 -0.727 13.978
35 2HG2 THR 25 2HG2 THR 25 6.513 -1.671 14.170
36 3HG2 THR 25 3HG2 THR 25 5.328 -2.127 12.943
37 H LYS 26 H LYS 26 7.736 -0.850 9.999
38 HA LYS 26 HA LYS 26 7.813 0.913 7.827
39 1HB LYS 26 1HB LYS 26 8.237 2.515 9.802
40 2HB LYS 26 2HB LYS 26 9.803 1.734 9.938
41 1HG LYS 26 1HG LYS 26 10.569 2.645 7.984
42 2HG LYS 26 2HG LYS 26 8.950 2.816 7.302
43 1HD LYS 26 1HD LYS 26 9.823 5.004 7.859
44 2HD LYS 26 2HD LYS 26 8.490 4.608 8.945
45 1HE LYS 26 1HE LYS 26 11.128 3.775 9.913
46 2HE LYS 26 2HE LYS 26 10.943 5.519 9.727
47 1HZ LYS 26 1HZ LYS 26 9.949 3.861 11.765
48 2HZ LYS 26 2HZ LYS 26 8.633 4.546 10.954
49 3HZ LYS 26 3HZ LYS 26 9.825 5.544 11.623
50 H SER 27 H SER 27 9.949 -0.610 10.238
51 HA SER 27 HA SER 27 12.013 -1.300 8.473
52 1HB SER 27 1HB SER 27 12.437 -3.157 10.234
53 2HB SER 27 2HB SER 27 12.560 -1.476 10.749
54 HG SER 27 HG SER 27 11.316 -2.616 12.229
55 H ASP 28 H ASP 28 8.854 -2.559 8.832
56 HA ASP 28 HA ASP 28 9.224 -5.209 7.962
57 1HB ASP 28 1HB ASP 28 6.874 -3.329 7.832
58 2HB ASP 28 2HB ASP 28 6.785 -4.987 7.252
59 H LEU 29 H LEU 29 9.390 -2.208 6.319
60 HA LEU 29 HA LEU 29 8.608 -2.864 3.750
61 1HB LEU 29 1HB LEU 29 10.786 -1.018 4.700
62 2HB LEU 29 2HB LEU 29 10.244 -1.104 3.032
63 HG LEU 29 HG LEU 29 8.452 -0.403 5.355
64 1HD1 LEU 29 1HD1 LEU 29 9.136 1.666 3.401
65 2HD1 LEU 29 2HD1 LEU 29 10.466 1.169 4.452
66 3HD1 LEU 29 3HD1 LEU 29 8.955 1.762 5.156
67 1HD2 LEU 29 1HD2 LEU 29 8.079 -0.337 2.371
68 2HD2 LEU 29 2HD2 LEU 29 6.988 0.445 3.520
69 3HD2 LEU 29 3HD2 LEU 29 7.196 -1.307 3.549
70 HA PRO 30 HA PRO 30 11.526 -5.636 2.031
71 1HB PRO 30 1HB PRO 30 11.833 -3.905 -0.330
72 2HB PRO 30 2HB PRO 30 11.188 -5.535 -0.221
73 1HG PRO 30 1HG PRO 30 9.592 -3.459 -0.680
74 2HG PRO 30 2HG PRO 30 9.086 -4.799 0.351
75 1HD PRO 30 1HD PRO 30 10.116 -2.104 1.147
76 2HD PRO 30 2HD PRO 30 8.747 -3.024 1.798
77 H GLU 31 H GLU 31 13.650 -6.029 2.026
78 HA GLU 31 HA GLU 31 15.486 -4.294 3.111
79 1HB GLU 31 1HB GLU 31 17.245 -5.788 2.205
80 2HB GLU 31 2HB GLU 31 15.931 -6.665 2.972
81 1HG GLU 31 1HG GLU 31 15.142 -6.542 0.344
82 2HG GLU 31 2HG GLU 31 16.888 -6.753 0.233
83 H SER 32 H SER 32 14.947 -4.926 -0.359
84 HA SER 32 HA SER 32 16.903 -3.159 -1.336
85 1HB SER 32 1HB SER 32 15.453 -3.146 -3.417
86 2HB SER 32 2HB SER 32 15.984 -4.733 -2.861
87 HG SER 32 HG SER 32 13.983 -5.249 -2.411
88 H VAL 33 H VAL 33 13.951 -2.557 0.217
89 HA VAL 33 HA VAL 33 13.640 0.108 -0.915
90 HB VAL 33 HB VAL 33 11.986 -1.411 1.120
91 1HG1 VAL 33 1HG1 VAL 33 10.450 0.368 1.202
92 2HG1 VAL 33 2HG1 VAL 33 11.206 1.195 -0.158
93 3HG1 VAL 33 3HG1 VAL 33 12.030 1.125 1.399
94 1HG2 VAL 33 1HG2 VAL 33 10.533 -0.684 -1.202
95 2HG2 VAL 33 2HG2 VAL 33 10.966 -2.293 -0.637
96 3HG2 VAL 33 3HG2 VAL 33 12.046 -1.425 -1.723
97 H LYS 34 H LYS 34 14.046 -1.411 2.272
98 HA LYS 34 HA LYS 34 14.563 0.989 3.676
99 1HB LYS 34 1HB LYS 34 15.340 -1.859 4.339
100 2HB LYS 34 2HB LYS 34 15.378 -0.509 5.466
101 1HG LYS 34 1HG LYS 34 12.949 -0.247 5.203
102 2HG LYS 34 2HG LYS 34 12.933 -1.645 4.126
103 1HD LYS 34 1HD LYS 34 13.787 -1.631 7.021
104 2HD LYS 34 2HD LYS 34 12.278 -2.280 6.382
105 1HE LYS 34 1HE LYS 34 13.403 -4.019 5.235
106 2HE LYS 34 2HE LYS 34 14.973 -3.262 5.480
107 1HZ LYS 34 1HZ LYS 34 14.125 -3.592 8.001
108 2HZ LYS 34 2HZ LYS 34 15.114 -4.689 7.178
109 3HZ LYS 34 3HZ LYS 34 13.445 -4.950 7.255
110 H HIS 35 H HIS 35 16.594 -1.185 1.825
111 HA HIS 35 HA HIS 35 19.082 -0.143 2.871
112 1HB HIS 35 1HB HIS 35 18.279 -2.391 1.256
113 2HB HIS 35 2HB HIS 35 19.601 -1.537 0.480
114 HD2 HIS 35 HD2 HIS 35 19.188 -2.370 4.331
115 HE1 HIS 35 HE1 HIS 35 22.876 -3.918 2.912
116 HE2 HIS 35 HE2 HIS 35 21.393 -3.586 4.923
117 H VAL 36 H VAL 36 17.065 1.565 1.392
118 HA VAL 36 HA VAL 36 18.999 2.997 -0.240
119 HB VAL 36 HB VAL 36 17.343 3.179 -2.118
120 1HG1 VAL 36 1HG1 VAL 36 18.123 1.280 -3.194
121 2HG1 VAL 36 2HG1 VAL 36 18.022 0.290 -1.738
122 3HG1 VAL 36 3HG1 VAL 36 19.307 1.487 -1.903
123 1HG2 VAL 36 1HG2 VAL 36 15.994 0.926 -0.620
124 2HG2 VAL 36 2HG2 VAL 36 15.589 1.448 -2.260
125 3HG2 VAL 36 3HG2 VAL 36 15.334 2.540 -0.898
126 H LEU 37 H LEU 37 15.884 2.775 1.356
127 HA LEU 37 HA LEU 37 15.288 5.559 0.995
128 1HB LEU 37 1HB LEU 37 13.937 3.209 2.078
129 2HB LEU 37 2HB LEU 37 13.635 4.669 2.998
130 HG LEU 37 HG LEU 37 12.349 5.578 1.387
131 1HD1 LEU 37 1HD1 LEU 37 13.839 6.103 -0.281
132 2HD1 LEU 37 2HD1 LEU 37 12.748 4.982 -1.107
133 3HD1 LEU 37 3HD1 LEU 37 14.315 4.422 -0.525
134 1HD2 LEU 37 1HD2 LEU 37 12.223 2.848 0.200
135 2HD2 LEU 37 2HD2 LEU 37 10.936 4.036 0.398
136 3HD2 LEU 37 3HD2 LEU 37 11.585 3.199 1.805
137 HA PRO 38 HA PRO 38 17.780 7.204 4.162
138 1HB PRO 38 1HB PRO 38 15.614 9.256 4.125
139 2HB PRO 38 2HB PRO 38 17.363 9.462 3.983
140 1HG PRO 38 1HG PRO 38 15.876 9.643 1.816
141 2HG PRO 38 2HG PRO 38 17.381 8.716 1.757
142 1HD PRO 38 1HD PRO 38 14.565 7.726 2.011
143 2HD PRO 38 2HD PRO 38 15.884 7.147 0.970
144 H SER 39 H SER 39 14.543 8.340 5.105
145 HA SER 39 HA SER 39 14.488 6.521 7.365
146 1HB SER 39 1HB SER 39 15.872 8.713 7.874
147 2HB SER 39 2HB SER 39 14.269 9.418 8.073
148 HG SER 39 HG SER 39 13.898 7.527 9.512
149 H HIS 40 H HIS 40 12.973 9.689 6.703
150 HA HIS 40 HA HIS 40 10.393 8.723 7.407
151 1HB HIS 40 1HB HIS 40 11.013 11.086 7.672
152 2HB HIS 40 2HB HIS 40 11.147 11.251 5.926
153 HD2 HIS 40 HD2 HIS 40 8.958 12.557 5.065
154 HE1 HIS 40 HE1 HIS 40 6.109 10.765 7.649
155 HE2 HIS 40 HE2 HIS 40 6.483 12.451 5.814
156 H ALA 41 H ALA 41 12.232 8.324 4.619
157 HA ALA 41 HA ALA 41 10.183 8.426 2.649
158 1HB ALA 41 1HB ALA 41 12.772 6.875 2.579
159 2HB ALA 41 2HB ALA 41 12.594 8.567 2.117
160 3HB ALA 41 3HB ALA 41 11.765 7.314 1.198
161 H GLN 42 H GLN 42 11.261 6.055 4.941
162 HA GLN 42 HA GLN 42 9.958 3.816 3.715
163 1HB GLN 42 1HB GLN 42 10.868 4.178 6.584
164 2HB GLN 42 2HB GLN 42 10.498 2.655 5.795
165 1HG GLN 42 1HG GLN 42 12.537 2.499 4.961
166 2HG GLN 42 2HG GLN 42 12.412 4.114 4.255
167 1HE2 GLN 42 1HE2 GLN 42 14.760 3.991 4.811
168 2HE2 GLN 42 2HE2 GLN 42 15.235 4.546 6.376
169 H ASP 43 H ASP 43 9.197 6.133 6.275
170 HA ASP 43 HA ASP 43 6.705 5.020 7.024
171 1HB ASP 43 1HB ASP 43 8.150 6.960 8.104
172 2HB ASP 43 2HB ASP 43 7.174 7.987 7.060
173 H ILE 44 H ILE 44 7.773 7.302 4.612
174 HA ILE 44 HA ILE 44 5.255 8.023 3.533
175 HB ILE 44 HB ILE 44 8.039 7.964 2.337
176 1HG1 ILE 44 1HG1 ILE 44 6.265 10.179 3.377
177 2HG1 ILE 44 2HG1 ILE 44 7.740 9.586 4.116
178 1HG2 ILE 44 1HG2 ILE 44 5.613 8.079 0.898
179 2HG2 ILE 44 2HG2 ILE 44 7.235 8.423 0.298
180 3HG2 ILE 44 3HG2 ILE 44 6.235 9.727 0.934
181 1HD1 ILE 44 1HD1 ILE 44 8.597 11.403 3.101
182 2HD1 ILE 44 2HD1 ILE 44 7.363 11.415 1.844
183 3HD1 ILE 44 3HD1 ILE 44 8.713 10.291 1.737
184 H TYR 45 H TYR 45 7.729 5.735 2.506
185 HA TYR 45 HA TYR 45 6.472 4.529 0.376
186 1HB TYR 45 1HB TYR 45 8.824 4.157 1.135
187 2HB TYR 45 2HB TYR 45 8.189 3.131 2.407
188 HD1 TYR 45 HD1 TYR 45 6.544 1.213 1.509
189 HD2 TYR 45 HD2 TYR 45 9.568 3.139 -0.767
190 HE1 TYR 45 HE1 TYR 45 6.597 -0.707 -0.032
191 HE2 TYR 45 HE2 TYR 45 9.628 1.236 -2.306
192 HH TYR 45 HH TYR 45 7.259 -1.151 -2.395
193 H LYS 46 H LYS 46 6.656 3.084 3.613
194 HA LYS 46 HA LYS 46 4.806 1.096 3.297
195 1HB LYS 46 1HB LYS 46 6.208 1.183 5.232
196 2HB LYS 46 2HB LYS 46 5.516 2.720 5.733
197 1HG LYS 46 1HG LYS 46 3.395 1.641 6.183
198 2HG LYS 46 2HG LYS 46 4.043 0.101 5.625
199 1HD LYS 46 1HD LYS 46 5.332 -0.189 7.492
200 2HD LYS 46 2HD LYS 46 5.508 1.546 7.766
201 1HE LYS 46 1HE LYS 46 2.915 0.070 8.143
202 2HE LYS 46 2HE LYS 46 4.088 0.305 9.433
203 1HZ LYS 46 1HZ LYS 46 3.373 2.360 9.757
204 2HZ LYS 46 2HZ LYS 46 2.092 2.035 8.702
205 3HZ LYS 46 3HZ LYS 46 3.508 2.755 8.118
206 H GLU 47 H GLU 47 4.141 4.347 4.628
207 HA GLU 47 HA GLU 47 1.399 3.973 5.016
208 1HB GLU 47 1HB GLU 47 2.999 6.462 4.497
209 2HB GLU 47 2HB GLU 47 1.273 6.486 4.833
210 1HG GLU 47 1HG GLU 47 1.880 5.146 6.935
211 2HG GLU 47 2HG GLU 47 3.521 5.705 6.629
212 H ALA 48 H ALA 48 3.185 5.001 2.186
213 HA ALA 48 HA ALA 48 0.850 5.634 0.660
214 1HB ALA 48 1HB ALA 48 2.742 6.742 -0.103
215 2HB ALA 48 2HB ALA 48 2.541 5.447 -1.284
216 3HB ALA 48 3HB ALA 48 3.747 5.296 -0.005
217 H PHE 49 H PHE 49 2.969 2.865 1.027
218 HA PHE 49 HA PHE 49 1.873 1.230 -0.971
219 1HB PHE 49 1HB PHE 49 3.986 0.672 0.135
220 2HB PHE 49 2HB PHE 49 3.151 0.464 1.662
221 HD1 PHE 49 HD1 PHE 49 1.236 -1.346 1.646
222 HD2 PHE 49 HD2 PHE 49 4.395 -1.136 -1.198
223 HE1 PHE 49 HE1 PHE 49 0.843 -3.697 1.041
224 HE2 PHE 49 HE2 PHE 49 4.004 -3.482 -1.802
225 HZ PHE 49 HZ PHE 49 2.223 -4.768 -0.694
226 H ASN 50 H ASN 50 1.219 1.337 2.526
227 HA ASN 50 HA ASN 50 -0.821 -0.520 2.661
228 1HB ASN 50 1HB ASN 50 -0.576 2.043 4.253
229 2HB ASN 50 2HB ASN 50 -1.535 0.637 4.704
230 1HD2 ASN 50 1HD2 ASN 50 0.148 -1.425 4.139
231 2HD2 ASN 50 2HD2 ASN 50 1.550 -1.338 5.143
232 H SER 51 H SER 51 -1.020 2.943 1.956
233 HA SER 51 HA SER 51 -3.789 3.201 1.824
234 1HB SER 51 1HB SER 51 -1.983 5.032 1.657
235 2HB SER 51 2HB SER 51 -1.931 4.645 -0.063
236 HG SER 51 HG SER 51 -3.729 5.690 -0.323
237 H ALA 52 H ALA 52 -1.467 2.358 -0.716
238 HA ALA 52 HA ALA 52 -3.421 1.987 -2.746
239 1HB ALA 52 1HB ALA 52 -1.256 2.354 -3.546
240 2HB ALA 52 2HB ALA 52 -1.527 0.635 -3.838
241 3HB ALA 52 3HB ALA 52 -0.552 1.154 -2.461
242 H TRP 53 H TRP 53 -2.041 -0.039 -0.262
243 HA TRP 53 HA TRP 53 -2.957 -2.541 -1.234
244 1HB TRP 53 1HB TRP 53 -1.254 -2.644 0.397
245 2HB TRP 53 2HB TRP 53 -2.047 -1.476 1.439
246 HD1 TRP 53 HD1 TRP 53 -1.841 -5.188 0.726
247 HE1 TRP 53 HE1 TRP 53 -3.157 -6.470 2.520
248 HE3 TRP 53 HE3 TRP 53 -4.132 -1.240 3.027
249 HZ2 TRP 53 HZ2 TRP 53 -4.934 -5.889 4.632
250 HZ3 TRP 53 HZ3 TRP 53 -5.625 -1.689 4.928
251 HH2 TRP 53 HH2 TRP 53 -6.015 -3.968 5.715
252 H ASP 54 H ASP 54 -4.231 -0.347 1.288
253 HA ASP 54 HA ASP 54 -6.645 -1.754 1.689
254 1HB ASP 54 1HB ASP 54 -5.607 -0.031 3.240
255 2HB ASP 54 2HB ASP 54 -6.211 1.203 2.140
256 H GLN 55 H GLN 55 -5.704 0.873 -0.452
257 HA GLN 55 HA GLN 55 -8.318 1.421 -1.408
258 1HB GLN 55 1HB GLN 55 -5.565 2.061 -2.422
259 2HB GLN 55 2HB GLN 55 -6.987 2.440 -3.386
260 1HG GLN 55 1HG GLN 55 -7.720 3.531 -1.047
261 2HG GLN 55 2HG GLN 55 -5.971 3.700 -0.926
262 1HE2 GLN 55 1HE2 GLN 55 -4.997 5.292 -1.997
263 2HE2 GLN 55 2HE2 GLN 55 -5.769 6.353 -3.122
264 H TYR 56 H TYR 56 -5.931 -0.914 -2.146
265 HA TYR 56 HA TYR 56 -6.910 -1.692 -4.706
266 1HB TYR 56 1HB TYR 56 -4.633 -2.212 -3.289
267 2HB TYR 56 2HB TYR 56 -5.490 -3.734 -3.131
268 HD1 TYR 56 HD1 TYR 56 -4.598 -1.244 -5.768
269 HD2 TYR 56 HD2 TYR 56 -5.163 -5.322 -4.727
270 HE1 TYR 56 HE1 TYR 56 -3.840 -1.913 -8.003
271 HE2 TYR 56 HE2 TYR 56 -4.405 -6.003 -6.953
272 HH TYR 56 HH TYR 56 -4.153 -5.149 -9.164
273 H LYS 57 H LYS 57 -9.192 -1.563 -3.370
274 HA LYS 57 HA LYS 57 -9.920 -4.010 -2.082
275 1HB LYS 57 1HB LYS 57 -11.043 -1.436 -2.395
276 2HB LYS 57 2HB LYS 57 -12.204 -2.573 -3.072
277 1HG LYS 57 1HG LYS 57 -11.082 -3.391 -0.496
278 2HG LYS 57 2HG LYS 57 -12.020 -1.898 -0.447
279 1HD LYS 57 1HD LYS 57 -13.244 -4.064 -2.002
280 2HD LYS 57 2HD LYS 57 -13.073 -4.403 -0.279
281 1HE LYS 57 1HE LYS 57 -14.126 -1.740 -1.042
282 2HE LYS 57 2HE LYS 57 -15.185 -3.126 -1.300
283 1HZ LYS 57 1HZ LYS 57 -15.560 -3.310 0.872
284 2HZ LYS 57 2HZ LYS 57 -14.863 -1.780 1.042
285 3HZ LYS 57 3HZ LYS 57 -13.922 -3.167 1.271
286 H ASP 58 H ASP 58 -9.462 -3.139 -5.295
287 HA ASP 58 HA ASP 58 -11.509 -4.670 -6.539
288 1HB ASP 58 1HB ASP 58 -9.738 -2.811 -7.421
289 2HB ASP 58 2HB ASP 58 -8.958 -4.283 -7.990
290 H LYS 59 H LYS 59 -8.160 -5.297 -5.633
291 HA LYS 59 HA LYS 59 -8.509 -8.124 -6.381
292 1HB LYS 59 1HB LYS 59 -6.657 -6.774 -7.463
293 2HB LYS 59 2HB LYS 59 -5.913 -6.688 -5.874
294 1HG LYS 59 1HG LYS 59 -5.021 -8.692 -6.098
295 2HG LYS 59 2HG LYS 59 -6.580 -9.396 -6.514
296 1HD LYS 59 1HD LYS 59 -5.327 -7.784 -8.632
297 2HD LYS 59 2HD LYS 59 -4.468 -9.265 -8.208
298 1HE LYS 59 1HE LYS 59 -5.904 -10.004 -9.852
299 2HE LYS 59 2HE LYS 59 -6.816 -10.363 -8.386
300 1HZ LYS 59 1HZ LYS 59 -7.339 -8.394 -10.462
301 2HZ LYS 59 2HZ LYS 59 -7.676 -7.912 -8.876
302 3HZ LYS 59 3HZ LYS 59 -8.421 -9.288 -9.519
303 H GLU 60 H GLU 60 -9.440 -6.874 -3.900
304 HA GLU 60 HA GLU 60 -7.647 -7.607 -1.798
305 1HB GLU 60 1HB GLU 60 -10.295 -6.386 -2.034
306 2HB GLU 60 2HB GLU 60 -10.145 -7.438 -0.634
307 1HG GLU 60 1HG GLU 60 -8.305 -5.151 -1.301
308 2HG GLU 60 2HG GLU 60 -9.609 -5.109 -0.115
309 H ASP 61 H ASP 61 -10.538 -9.080 -3.223
310 HA ASP 61 HA ASP 61 -10.044 -11.484 -1.601
311 1HB ASP 61 1HB ASP 61 -12.536 -10.549 -3.031
312 2HB ASP 61 2HB ASP 61 -12.386 -12.116 -2.241
313 H ARG 62 H ARG 62 -8.570 -10.750 -4.015
314 HA ARG 62 HA ARG 62 -9.408 -12.915 -5.806
315 1HB ARG 62 1HB ARG 62 -7.464 -10.680 -6.355
316 2HB ARG 62 2HB ARG 62 -8.054 -11.855 -7.517
317 1HG ARG 62 1HG ARG 62 -9.821 -9.893 -6.079
318 2HG ARG 62 2HG ARG 62 -9.108 -9.599 -7.667
319 1HD ARG 62 1HD ARG 62 -10.415 -12.180 -7.553
320 2HD ARG 62 2HD ARG 62 -11.525 -10.880 -7.121
321 HE ARG 62 HE ARG 62 -10.145 -10.113 -9.422
322 1HH1 ARG 62 1HH1 ARG 62 -12.481 -12.512 -8.434
323 2HH1 ARG 62 2HH1 ARG 62 -13.201 -12.635 -10.003
324 1HH2 ARG 62 1HH2 ARG 62 -11.091 -10.275 -11.484
325 2HH2 ARG 62 2HH2 ARG 62 -12.414 -11.366 -11.734
326 H ARG 63 H ARG 63 -7.925 -14.412 -6.508
327 HA ARG 63 HA ARG 63 -6.053 -15.317 -4.595
328 1HB ARG 63 1HB ARG 63 -5.400 -16.924 -6.464
329 2HB ARG 63 2HB ARG 63 -7.077 -16.969 -5.934
330 1HG ARG 63 1HG ARG 63 -7.134 -15.114 -7.959
331 2HG ARG 63 2HG ARG 63 -5.950 -16.290 -8.531
332 1HD ARG 63 1HD ARG 63 -8.805 -16.796 -7.713
333 2HD ARG 63 2HD ARG 63 -8.092 -16.980 -9.316
334 HE ARG 63 HE ARG 63 -7.131 -18.645 -7.099
335 1HH1 ARG 63 1HH1 ARG 63 -8.768 -18.386 -10.179
336 2HH1 ARG 63 2HH1 ARG 63 -8.693 -20.085 -10.495
337 1HH2 ARG 63 1HH2 ARG 63 -7.039 -20.873 -7.520
338 2HH2 ARG 63 2HH2 ARG 63 -7.713 -21.495 -8.989
339 H ASP 64 H ASP 64 -5.814 -13.113 -7.211
340 HA ASP 64 HA ASP 64 -2.927 -13.363 -7.457
341 1HB ASP 64 1HB ASP 64 -4.218 -12.992 -9.484
342 2HB ASP 64 2HB ASP 64 -4.933 -11.538 -8.799
343 H ASP 65 H ASP 65 -3.547 -12.740 -4.898
344 HA ASP 65 HA ASP 65 -3.789 -10.046 -4.226
345 1HB ASP 65 1HB ASP 65 -3.277 -12.511 -2.869
346 2HB ASP 65 2HB ASP 65 -2.144 -11.302 -2.277
347 H ALA 66 H ALA 66 -0.991 -11.864 -5.275
348 HA ALA 66 HA ALA 66 1.063 -10.236 -4.334
349 1HB ALA 66 1HB ALA 66 1.271 -11.297 -7.102
350 2HB ALA 66 2HB ALA 66 1.122 -12.438 -5.766
351 3HB ALA 66 3HB ALA 66 2.459 -11.286 -5.802
352 H SER 67 H SER 67 -0.991 -9.882 -7.178
353 HA SER 67 HA SER 67 0.252 -7.721 -8.411
354 1HB SER 67 1HB SER 67 -1.676 -8.992 -9.323
355 2HB SER 67 2HB SER 67 -2.730 -8.190 -8.170
356 HG SER 67 HG SER 67 -1.550 -7.217 -10.485
357 H ARG 68 H ARG 68 -2.162 -7.825 -5.851
358 HA ARG 68 HA ARG 68 -2.502 -5.080 -5.456
359 1HB ARG 68 1HB ARG 68 -3.926 -6.787 -4.373
360 2HB ARG 68 2HB ARG 68 -2.553 -7.288 -3.382
361 1HG ARG 68 1HG ARG 68 -3.307 -4.431 -3.262
362 2HG ARG 68 2HG ARG 68 -4.415 -5.592 -2.523
363 1HD ARG 68 1HD ARG 68 -1.469 -5.672 -1.948
364 2HD ARG 68 2HD ARG 68 -2.541 -4.573 -1.077
365 HE ARG 68 HE ARG 68 -3.810 -6.580 -0.384
366 1HH1 ARG 68 1HH1 ARG 68 -0.476 -6.951 -1.370
367 2HH1 ARG 68 2HH1 ARG 68 -0.252 -8.414 -0.473
368 1HH2 ARG 68 1HH2 ARG 68 -3.501 -8.496 0.796
369 2HH2 ARG 68 2HH2 ARG 68 -1.963 -9.290 0.751
370 H GLU 69 H GLU 69 -0.437 -7.265 -3.546
371 HA GLU 69 HA GLU 69 0.998 -5.401 -2.131
372 1HB GLU 69 1HB GLU 69 1.172 -7.866 -1.862
373 2HB GLU 69 2HB GLU 69 2.110 -7.951 -3.347
374 1HG GLU 69 1HG GLU 69 3.930 -6.838 -2.364
375 2HG GLU 69 2HG GLU 69 2.957 -6.295 -1.002
376 H GLU 70 H GLU 70 1.699 -6.705 -5.352
377 HA GLU 70 HA GLU 70 4.019 -5.296 -5.929
378 1HB GLU 70 1HB GLU 70 2.796 -7.155 -7.264
379 2HB GLU 70 2HB GLU 70 1.920 -5.829 -8.015
380 1HG GLU 70 1HG GLU 70 3.741 -6.403 -9.428
381 2HG GLU 70 2HG GLU 70 4.107 -4.848 -8.683
382 H THR 71 H THR 71 0.689 -4.421 -6.916
383 HA THR 71 HA THR 71 1.251 -1.932 -7.991
384 HB THR 71 HB THR 71 -1.189 -2.732 -6.391
385 HG1 THR 71 HG1 THR 71 -0.971 -2.518 -9.198
386 1HG2 THR 71 1HG2 THR 71 -2.208 -0.910 -7.959
387 2HG2 THR 71 2HG2 THR 71 -0.558 -0.277 -7.952
388 3HG2 THR 71 3HG2 THR 71 -1.442 -0.457 -6.433
389 H ALA 72 H ALA 72 0.359 -2.667 -4.619
390 HA ALA 72 HA ALA 72 0.529 -0.117 -3.579
391 1HB ALA 72 1HB ALA 72 0.832 -2.846 -2.473
392 2HB ALA 72 2HB ALA 72 -0.245 -1.537 -1.988
393 3HB ALA 72 3HB ALA 72 1.439 -1.516 -1.495
394 H HIS 73 H HIS 73 3.093 -2.506 -4.097
395 HA HIS 73 HA HIS 73 5.271 -1.108 -3.040
396 1HB HIS 73 1HB HIS 73 4.987 -3.121 -5.244
397 2HB HIS 73 2HB HIS 73 6.510 -2.271 -5.083
398 HD2 HIS 73 HD2 HIS 73 4.440 -5.024 -3.240
399 HE1 HIS 73 HE1 HIS 73 8.275 -4.764 -1.451
400 HE2 HIS 73 HE2 HIS 73 6.082 -5.996 -1.497
401 H LYS 74 H LYS 74 3.878 -1.068 -6.299
402 HA LYS 74 HA LYS 74 5.541 0.852 -7.449
403 1HB LYS 74 1HB LYS 74 2.719 -0.032 -8.027
404 2HB LYS 74 2HB LYS 74 3.511 1.218 -8.981
405 1HG LYS 74 1HG LYS 74 4.353 -0.387 -10.243
406 2HG LYS 74 2HG LYS 74 5.350 -0.867 -8.876
407 1HD LYS 74 1HD LYS 74 4.316 -2.837 -8.961
408 2HD LYS 74 2HD LYS 74 2.891 -2.009 -8.345
409 1HE LYS 74 1HE LYS 74 1.808 -2.384 -10.250
410 2HE LYS 74 2HE LYS 74 3.078 -1.571 -11.162
411 1HZ LYS 74 1HZ LYS 74 2.754 -3.855 -11.899
412 2HZ LYS 74 2HZ LYS 74 3.106 -4.428 -10.349
413 3HZ LYS 74 3HZ LYS 74 4.303 -3.646 -11.251
414 H VAL 75 H VAL 75 2.453 1.199 -5.771
415 HA VAL 75 HA VAL 75 2.199 3.978 -6.128
416 HB VAL 75 HB VAL 75 1.105 2.291 -3.877
417 1HG1 VAL 75 1HG1 VAL 75 0.653 5.101 -4.759
418 2HG1 VAL 75 2HG1 VAL 75 0.721 4.429 -3.129
419 3HG1 VAL 75 3HG1 VAL 75 -0.713 4.182 -4.125
420 1HG2 VAL 75 1HG2 VAL 75 -0.110 1.315 -5.462
421 2HG2 VAL 75 2HG2 VAL 75 0.536 2.403 -6.692
422 3HG2 VAL 75 3HG2 VAL 75 -0.883 2.877 -5.751
423 H ALA 76 H ALA 76 3.206 2.162 -3.227
424 HA ALA 76 HA ALA 76 3.969 4.227 -1.613
425 1HB ALA 76 1HB ALA 76 4.752 1.409 -1.867
426 2HB ALA 76 2HB ALA 76 4.193 2.315 -0.461
427 3HB ALA 76 3HB ALA 76 5.874 2.437 -0.978
428 H TRP 77 H TRP 77 5.975 2.642 -4.064
429 HA TRP 77 HA TRP 77 8.287 4.180 -3.626
430 1HB TRP 77 1HB TRP 77 7.282 2.495 -5.849
431 2HB TRP 77 2HB TRP 77 8.517 3.678 -6.262
432 HD1 TRP 77 HD1 TRP 77 8.192 0.264 -5.141
433 HE1 TRP 77 HE1 TRP 77 10.391 -0.652 -4.173
434 HE3 TRP 77 HE3 TRP 77 10.664 4.676 -4.536
435 HZ2 TRP 77 HZ2 TRP 77 12.860 0.388 -3.253
436 HZ3 TRP 77 HZ3 TRP 77 12.933 4.639 -3.591
437 HH2 TRP 77 HH2 TRP 77 14.011 2.539 -2.965
438 H ALA 78 H ALA 78 5.492 4.691 -5.751
439 HA ALA 78 HA ALA 78 6.305 6.962 -7.098
440 1HB ALA 78 1HB ALA 78 3.554 6.278 -6.057
441 2HB ALA 78 2HB ALA 78 4.214 5.909 -7.649
442 3HB ALA 78 3HB ALA 78 3.893 7.581 -7.193
443 H ALA 79 H ALA 79 4.891 6.688 -3.861
444 HA ALA 79 HA ALA 79 4.833 9.445 -3.259
445 1HB ALA 79 1HB ALA 79 4.786 6.931 -1.627
446 2HB ALA 79 2HB ALA 79 3.521 8.140 -1.850
447 3HB ALA 79 3HB ALA 79 4.922 8.507 -0.845
448 H VAL 80 H VAL 80 7.166 6.864 -2.688
449 HA VAL 80 HA VAL 80 9.078 8.356 -1.319
450 HB VAL 80 HB VAL 80 9.439 5.917 -3.091
451 1HG1 VAL 80 1HG1 VAL 80 11.423 7.603 -2.211
452 2HG1 VAL 80 2HG1 VAL 80 11.629 5.897 -2.599
453 3HG1 VAL 80 3HG1 VAL 80 11.355 6.395 -0.931
454 1HG2 VAL 80 1HG2 VAL 80 8.137 5.134 -1.386
455 2HG2 VAL 80 2HG2 VAL 80 8.677 6.370 -0.249
456 3HG2 VAL 80 3HG2 VAL 80 9.716 4.998 -0.620
457 H LYS 81 H LYS 81 8.846 7.610 -4.823
458 HA LYS 81 HA LYS 81 11.089 9.145 -5.553
459 1HB LYS 81 1HB LYS 81 8.695 8.623 -7.307
460 2HB LYS 81 2HB LYS 81 10.359 8.886 -7.806
461 1HG LYS 81 1HG LYS 81 10.640 6.701 -6.234
462 2HG LYS 81 2HG LYS 81 9.021 6.444 -6.889
463 1HD LYS 81 1HD LYS 81 10.041 6.937 -9.169
464 2HD LYS 81 2HD LYS 81 11.610 6.768 -8.383
465 1HE LYS 81 1HE LYS 81 10.734 4.510 -7.552
466 2HE LYS 81 2HE LYS 81 9.464 4.702 -8.757
467 1HZ LYS 81 1HZ LYS 81 11.869 5.235 -10.034
468 2HZ LYS 81 2HZ LYS 81 10.867 3.889 -10.245
469 3HZ LYS 81 3HZ LYS 81 12.125 3.836 -9.118
470 H HIS 82 H HIS 82 7.989 10.070 -4.523
471 HA HIS 82 HA HIS 82 7.931 12.600 -5.935
472 1HB HIS 82 1HB HIS 82 5.897 11.172 -5.202
473 2HB HIS 82 2HB HIS 82 6.166 11.870 -3.610
474 HD2 HIS 82 HD2 HIS 82 4.639 14.061 -3.259
475 HE1 HIS 82 HE1 HIS 82 4.407 15.309 -7.308
476 HE2 HIS 82 HE2 HIS 82 3.755 15.827 -4.929
477 H GLU 83 H GLU 83 8.260 11.509 -2.575
478 HA GLU 83 HA GLU 83 9.131 14.171 -1.758
479 1HB GLU 83 1HB GLU 83 8.997 11.858 0.126
480 2HB GLU 83 2HB GLU 83 8.644 13.557 0.412
481 1HG GLU 83 1HG GLU 83 6.716 12.939 -1.363
482 2HG GLU 83 2HG GLU 83 6.905 11.391 -0.544
483 H TYR 84 H TYR 84 10.473 11.246 -2.767
484 HA TYR 84 HA TYR 84 13.107 12.089 -1.783
485 1HB TYR 84 1HB TYR 84 11.881 9.346 -1.617
486 2HB TYR 84 2HB TYR 84 13.625 9.572 -1.600
487 HD1 TYR 84 HD1 TYR 84 14.737 10.351 0.344
488 HD2 TYR 84 HD2 TYR 84 10.492 10.315 0.196
489 HE1 TYR 84 HE1 TYR 84 14.661 10.842 2.751
490 HE2 TYR 84 HE2 TYR 84 10.406 10.811 2.609
491 HH TYR 84 HH TYR 84 12.179 10.360 4.642
492 H ALA 85 H ALA 85 14.879 11.498 -3.034
493 HA ALA 85 HA ALA 85 14.255 10.697 -5.805
494 1HB ALA 85 1HB ALA 85 15.602 13.075 -4.786
495 2HB ALA 85 2HB ALA 85 14.909 12.760 -6.380
496 3HB ALA 85 3HB ALA 85 16.544 12.211 -6.004
497 H LYS 86 H LYS 86 15.700 9.275 -6.804
498 HA LYS 86 HA LYS 86 17.567 7.953 -4.992
499 1HB LYS 86 1HB LYS 86 15.944 6.678 -6.503
500 2HB LYS 86 2HB LYS 86 16.999 7.129 -7.830
501 1HG LYS 86 1HG LYS 86 18.832 5.938 -6.852
502 2HG LYS 86 2HG LYS 86 17.900 5.617 -5.388
503 1HD LYS 86 1HD LYS 86 17.435 3.654 -6.381
504 2HD LYS 86 2HD LYS 86 16.260 4.595 -7.301
505 1HE LYS 86 1HE LYS 86 19.043 4.517 -8.317
506 2HE LYS 86 2HE LYS 86 18.085 3.044 -8.466
507 1HZ LYS 86 1HZ LYS 86 16.348 4.845 -9.357
508 2HZ LYS 86 2HZ LYS 86 17.433 4.029 -10.366
509 3HZ LYS 86 3HZ LYS 86 17.792 5.592 -9.829
510 H GLY 87 H GLY 87 19.643 8.605 -4.948
511 1HA GLY 87 1HA GLY 87 20.685 10.473 -6.731
512 2HA GLY 87 2HA GLY 87 21.642 9.463 -5.657
513 H ASP 88 H ASP 88 23.065 9.757 -7.694
514 HA ASP 88 HA ASP 88 22.327 8.134 -9.944
515 1HB ASP 88 1HB ASP 88 24.637 8.669 -10.741
516 2HB ASP 88 2HB ASP 88 23.658 10.085 -10.372
517 H ASP 89 H ASP 89 22.464 6.723 -7.349
518 HA ASP 89 HA ASP 89 24.456 4.733 -8.133
519 1HB ASP 89 1HB ASP 89 23.831 5.500 -5.284
520 2HB ASP 89 2HB ASP 89 25.007 4.302 -5.813
521 H ASP 90 H ASP 90 22.369 4.587 -5.390
522 HA ASP 90 HA ASP 90 20.198 3.245 -6.564
523 1HB ASP 90 1HB ASP 90 22.499 1.614 -6.006
524 2HB ASP 90 2HB ASP 90 21.199 1.171 -4.910
525 H LYS 91 H LYS 91 20.986 5.314 -4.722
526 HA LYS 91 HA LYS 91 19.468 4.448 -2.350
527 1HB LYS 91 1HB LYS 91 22.064 5.800 -2.587
528 2HB LYS 91 2HB LYS 91 20.980 6.488 -1.407
529 1HG LYS 91 1HG LYS 91 20.780 4.302 -0.331
530 2HG LYS 91 2HG LYS 91 21.867 3.626 -1.548
531 1HD LYS 91 1HD LYS 91 23.311 5.761 -0.618
532 2HD LYS 91 2HD LYS 91 22.459 5.212 0.852
533 1HE LYS 91 1HE LYS 91 23.904 3.282 -0.945
534 2HE LYS 91 2HE LYS 91 24.761 4.188 0.302
535 1HZ LYS 91 1HZ LYS 91 24.173 2.502 1.620
536 2HZ LYS 91 2HZ LYS 91 22.977 1.943 0.562
537 3HZ LYS 91 3HZ LYS 91 22.631 3.202 1.638
538 H TRP 92 H TRP 92 18.326 6.236 -1.270
539 HA TRP 92 HA TRP 92 17.650 8.349 -3.186
540 1HB TRP 92 1HB TRP 92 15.755 7.121 -1.193
541 2HB TRP 92 2HB TRP 92 15.357 8.295 -2.444
542 HD1 TRP 92 HD1 TRP 92 16.840 4.722 -2.294
543 HE1 TRP 92 HE1 TRP 92 15.898 3.381 -4.279
544 HE3 TRP 92 HE3 TRP 92 14.064 8.396 -4.493
545 HZ2 TRP 92 HZ2 TRP 92 14.201 3.829 -6.488
546 HZ3 TRP 92 HZ3 TRP 92 12.810 7.860 -6.541
547 HH2 TRP 92 HH2 TRP 92 12.880 5.623 -7.517
548 H HIS 93 H HIS 93 16.669 10.287 -2.260
549 HA HIS 93 HA HIS 93 17.269 10.914 0.507
550 1HB HIS 93 1HB HIS 93 18.493 13.003 -0.145
551 2HB HIS 93 2HB HIS 93 19.373 11.524 -0.515
552 HD2 HIS 93 HD2 HIS 93 18.813 10.773 -3.416
553 HE1 HIS 93 HE1 HIS 93 18.880 14.891 -4.444
554 HE2 HIS 93 HE2 HIS 93 19.045 12.527 -5.304
555 H LYS 94 H LYS 94 15.811 12.419 1.310
556 HA LYS 94 HA LYS 94 13.440 12.764 -0.049
557 1HB LYS 94 1HB LYS 94 13.966 13.126 2.468
558 2HB LYS 94 2HB LYS 94 14.199 14.804 1.986
559 1HG LYS 94 1HG LYS 94 11.943 14.799 0.977
560 2HG LYS 94 2HG LYS 94 11.710 13.159 1.574
561 1HD LYS 94 1HD LYS 94 12.238 14.115 3.890
562 2HD LYS 94 2HD LYS 94 11.988 15.699 3.152
563 1HE LYS 94 1HE LYS 94 9.737 14.980 2.438
564 2HE LYS 94 2HE LYS 94 9.993 13.438 3.255
565 1HZ LYS 94 1HZ LYS 94 10.355 15.895 4.807
566 2HZ LYS 94 2HZ LYS 94 9.789 14.380 5.303
567 3HZ LYS 94 3HZ LYS 94 8.774 15.419 4.437
568 H LYS 95 H LYS 95 12.771 13.912 -1.606
569 HA LYS 95 HA LYS 95 14.326 16.064 -2.696
570 1HB LYS 95 1HB LYS 95 12.139 14.323 -3.584
571 2HB LYS 95 2HB LYS 95 12.172 15.947 -4.246
572 1HG LYS 95 1HG LYS 95 14.697 14.422 -4.245
573 2HG LYS 95 2HG LYS 95 13.448 13.942 -5.396
574 1HD LYS 95 1HD LYS 95 13.970 16.831 -5.212
575 2HD LYS 95 2HD LYS 95 15.297 15.861 -5.861
576 1HE LYS 95 1HE LYS 95 13.404 14.782 -7.306
577 2HE LYS 95 2HE LYS 95 12.539 16.274 -6.935
578 1HZ LYS 95 1HZ LYS 95 14.241 15.969 -8.988
579 2HZ LYS 95 2HZ LYS 95 15.264 16.651 -7.828
580 3HZ LYS 95 3HZ LYS 95 13.852 17.460 -8.290
581 H SER 96 H SER 96 11.383 15.549 -0.980
582 HA SER 96 HA SER 96 10.598 18.364 -1.230
583 1HB SER 96 1HB SER 96 8.965 16.392 -1.600
584 2HB SER 96 2HB SER 96 8.970 16.245 0.155
585 HG SER 96 HG SER 96 8.607 18.817 -0.562
Start of MODEL 13
1 HA PRO 22 HA PRO 22 2.949 -7.535 4.808
2 1HB PRO 22 1HB PRO 22 4.207 -5.720 2.898
3 2HB PRO 22 2HB PRO 22 3.850 -7.438 2.728
4 1HG PRO 22 1HG PRO 22 2.531 -5.555 1.332
5 2HG PRO 22 2HG PRO 22 1.761 -7.059 1.856
6 1HD PRO 22 1HD PRO 22 1.595 -4.332 3.084
7 2HD PRO 22 2HD PRO 22 0.305 -5.509 2.784
8 H TYR 23 H TYR 23 2.555 -4.146 5.202
9 HA TYR 23 HA TYR 23 5.077 -3.979 6.704
10 1HB TYR 23 1HB TYR 23 3.562 -1.708 5.409
11 2HB TYR 23 2HB TYR 23 5.144 -1.618 6.184
12 HD1 TYR 23 HD1 TYR 23 4.249 -0.914 3.255
13 HD2 TYR 23 HD2 TYR 23 6.179 -4.262 5.028
14 HE1 TYR 23 HE1 TYR 23 5.317 -1.432 1.102
15 HE2 TYR 23 HE2 TYR 23 7.249 -4.789 2.892
16 HH TYR 23 HH TYR 23 7.165 -4.371 0.629
17 H LYS 24 H LYS 24 5.020 -3.191 8.785
18 HA LYS 24 HA LYS 24 2.335 -2.648 9.862
19 1HB LYS 24 1HB LYS 24 4.151 -4.644 10.567
20 2HB LYS 24 2HB LYS 24 4.263 -3.461 11.859
21 1HG LYS 24 1HG LYS 24 2.606 -5.313 12.208
22 2HG LYS 24 2HG LYS 24 1.977 -3.677 12.395
23 1HD LYS 24 1HD LYS 24 1.662 -4.432 9.664
24 2HD LYS 24 2HD LYS 24 1.064 -5.752 10.669
25 1HE LYS 24 1HE LYS 24 0.193 -3.240 11.744
26 2HE LYS 24 2HE LYS 24 -0.231 -3.340 10.036
27 1HZ LYS 24 1HZ LYS 24 -1.720 -4.956 10.415
28 2HZ LYS 24 2HZ LYS 24 -1.702 -4.382 12.006
29 3HZ LYS 24 3HZ LYS 24 -0.770 -5.730 11.581
30 H THR 25 H THR 25 5.790 -1.783 10.220
31 HA THR 25 HA THR 25 4.873 0.761 11.369
32 HB THR 25 HB THR 25 6.707 0.804 12.882
33 HG1 THR 25 HG1 THR 25 8.485 -0.153 12.375
34 1HG2 THR 25 1HG2 THR 25 4.870 -1.353 12.955
35 2HG2 THR 25 2HG2 THR 25 5.673 -0.534 14.296
36 3HG2 THR 25 3HG2 THR 25 6.433 -1.932 13.533
37 H LYS 26 H LYS 26 7.724 -0.798 9.913
38 HA LYS 26 HA LYS 26 7.905 0.845 7.674
39 1HB LYS 26 1HB LYS 26 8.878 2.117 10.064
40 2HB LYS 26 2HB LYS 26 10.217 1.838 8.967
41 1HG LYS 26 1HG LYS 26 9.313 3.182 7.321
42 2HG LYS 26 2HG LYS 26 7.683 3.073 7.984
43 1HD LYS 26 1HD LYS 26 8.603 5.267 8.415
44 2HD LYS 26 2HD LYS 26 8.414 4.391 9.931
45 1HE LYS 26 1HE LYS 26 10.722 4.010 10.121
46 2HE LYS 26 2HE LYS 26 11.012 4.413 8.430
47 1HZ LYS 26 1HZ LYS 26 11.723 6.180 9.936
48 2HZ LYS 26 2HZ LYS 26 10.143 6.341 10.515
49 3HZ LYS 26 3HZ LYS 26 10.491 6.708 8.902
50 H SER 27 H SER 27 9.932 -0.664 10.163
51 HA SER 27 HA SER 27 12.054 -1.463 8.564
52 1HB SER 27 1HB SER 27 11.038 -3.186 10.808
53 2HB SER 27 2HB SER 27 12.704 -2.847 10.341
54 HG SER 27 HG SER 27 12.062 -1.702 12.230
55 H ASP 28 H ASP 28 8.839 -2.746 8.775
56 HA ASP 28 HA ASP 28 9.323 -5.342 7.789
57 1HB ASP 28 1HB ASP 28 6.945 -3.580 8.059
58 2HB ASP 28 2HB ASP 28 6.823 -4.909 6.911
59 H LEU 29 H LEU 29 9.475 -2.295 6.244
60 HA LEU 29 HA LEU 29 8.648 -2.871 3.662
61 1HB LEU 29 1HB LEU 29 10.826 -1.047 4.655
62 2HB LEU 29 2HB LEU 29 10.301 -1.097 2.981
63 HG LEU 29 HG LEU 29 8.479 -0.447 5.297
64 1HD1 LEU 29 1HD1 LEU 29 9.176 1.678 3.418
65 2HD1 LEU 29 2HD1 LEU 29 10.517 1.137 4.432
66 3HD1 LEU 29 3HD1 LEU 29 9.017 1.711 5.175
67 1HD2 LEU 29 1HD2 LEU 29 6.800 -0.260 3.823
68 2HD2 LEU 29 2HD2 LEU 29 7.800 -1.307 2.813
69 3HD2 LEU 29 3HD2 LEU 29 7.839 0.440 2.582
70 HA PRO 30 HA PRO 30 11.550 -5.565 1.793
71 1HB PRO 30 1HB PRO 30 11.923 -3.699 -0.450
72 2HB PRO 30 2HB PRO 30 11.258 -5.324 -0.455
73 1HG PRO 30 1HG PRO 30 9.691 -3.210 -0.815
74 2HG PRO 30 2HG PRO 30 9.159 -4.593 0.138
75 1HD PRO 30 1HD PRO 30 10.218 -1.964 1.091
76 2HD PRO 30 2HD PRO 30 8.821 -2.889 1.672
77 H GLU 31 H GLU 31 13.656 -5.999 1.886
78 HA GLU 31 HA GLU 31 15.490 -4.274 3.027
79 1HB GLU 31 1HB GLU 31 17.244 -5.841 2.207
80 2HB GLU 31 2HB GLU 31 15.897 -6.645 2.998
81 1HG GLU 31 1HG GLU 31 15.296 -6.511 0.243
82 2HG GLU 31 2HG GLU 31 16.958 -7.074 0.398
83 H SER 32 H SER 32 14.937 -4.926 -0.426
84 HA SER 32 HA SER 32 17.015 -3.284 -1.406
85 1HB SER 32 1HB SER 32 15.557 -5.056 -2.613
86 2HB SER 32 2HB SER 32 14.463 -3.710 -2.913
87 HG SER 32 HG SER 32 15.789 -3.618 -4.612
88 H VAL 33 H VAL 33 14.140 -2.535 0.145
89 HA VAL 33 HA VAL 33 13.888 0.104 -1.080
90 HB VAL 33 HB VAL 33 12.128 -1.348 0.912
91 1HG1 VAL 33 1HG1 VAL 33 12.019 1.416 -0.212
92 2HG1 VAL 33 2HG1 VAL 33 11.725 0.864 1.437
93 3HG1 VAL 33 3HG1 VAL 33 10.524 0.569 0.180
94 1HG2 VAL 33 1HG2 VAL 33 12.203 -2.182 -1.471
95 2HG2 VAL 33 2HG2 VAL 33 11.518 -0.628 -1.948
96 3HG2 VAL 33 3HG2 VAL 33 10.612 -1.701 -0.877
97 H LYS 34 H LYS 34 14.097 -1.379 2.147
98 HA LYS 34 HA LYS 34 14.589 1.016 3.553
99 1HB LYS 34 1HB LYS 34 15.359 -1.828 4.271
100 2HB LYS 34 2HB LYS 34 15.285 -0.467 5.388
101 1HG LYS 34 1HG LYS 34 12.918 -0.312 5.158
102 2HG LYS 34 2HG LYS 34 12.918 -1.476 3.830
103 1HD LYS 34 1HD LYS 34 13.692 -2.047 6.688
104 2HD LYS 34 2HD LYS 34 12.179 -2.516 5.912
105 1HE LYS 34 1HE LYS 34 13.625 -3.751 4.218
106 2HE LYS 34 2HE LYS 34 14.961 -3.504 5.339
107 1HZ LYS 34 1HZ LYS 34 12.421 -4.794 6.149
108 2HZ LYS 34 2HZ LYS 34 13.898 -4.795 6.972
109 3HZ LYS 34 3HZ LYS 34 13.732 -5.672 5.536
110 H HIS 35 H HIS 35 16.637 -1.132 1.738
111 HA HIS 35 HA HIS 35 19.127 -0.176 2.859
112 1HB HIS 35 1HB HIS 35 18.311 -2.346 1.176
113 2HB HIS 35 2HB HIS 35 19.617 -1.477 0.395
114 HD2 HIS 35 HD2 HIS 35 19.396 -4.414 2.513
115 HE1 HIS 35 HE1 HIS 35 22.864 -2.446 3.961
116 HE2 HIS 35 HE2 HIS 35 21.494 -4.560 4.017
117 H VAL 36 H VAL 36 17.004 1.358 1.035
118 HA VAL 36 HA VAL 36 19.060 2.930 -0.358
119 HB VAL 36 HB VAL 36 17.448 3.149 -2.280
120 1HG1 VAL 36 1HG1 VAL 36 18.970 1.711 -3.091
121 2HG1 VAL 36 2HG1 VAL 36 17.825 0.433 -2.707
122 3HG1 VAL 36 3HG1 VAL 36 19.092 0.857 -1.557
123 1HG2 VAL 36 1HG2 VAL 36 15.728 1.392 -2.500
124 2HG2 VAL 36 2HG2 VAL 36 15.419 2.458 -1.129
125 3HG2 VAL 36 3HG2 VAL 36 16.097 0.846 -0.859
126 H LEU 37 H LEU 37 15.957 2.720 1.244
127 HA LEU 37 HA LEU 37 15.391 5.526 0.881
128 1HB LEU 37 1HB LEU 37 13.955 3.171 1.826
129 2HB LEU 37 2HB LEU 37 13.666 4.584 2.821
130 HG LEU 37 HG LEU 37 12.446 5.619 1.231
131 1HD1 LEU 37 1HD1 LEU 37 13.934 6.199 -0.401
132 2HD1 LEU 37 2HD1 LEU 37 12.884 5.091 -1.292
133 3HD1 LEU 37 3HD1 LEU 37 14.439 4.532 -0.681
134 1HD2 LEU 37 1HD2 LEU 37 11.998 2.893 1.272
135 2HD2 LEU 37 2HD2 LEU 37 11.952 3.341 -0.434
136 3HD2 LEU 37 3HD2 LEU 37 10.892 4.150 0.720
137 HA PRO 38 HA PRO 38 17.821 7.036 4.163
138 1HB PRO 38 1HB PRO 38 15.679 9.118 4.143
139 2HB PRO 38 2HB PRO 38 17.434 9.307 4.057
140 1HG PRO 38 1HG PRO 38 16.022 9.580 1.854
141 2HG PRO 38 2HG PRO 38 17.504 8.612 1.813
142 1HD PRO 38 1HD PRO 38 14.655 7.692 1.982
143 2HD PRO 38 2HD PRO 38 15.972 7.118 0.936
144 H SER 39 H SER 39 14.659 8.289 5.165
145 HA SER 39 HA SER 39 14.536 6.361 7.343
146 1HB SER 39 1HB SER 39 15.912 8.590 7.878
147 2HB SER 39 2HB SER 39 14.287 9.203 8.188
148 HG SER 39 HG SER 39 15.329 6.824 9.326
149 H HIS 40 H HIS 40 13.056 9.557 6.764
150 HA HIS 40 HA HIS 40 10.462 8.615 7.431
151 1HB HIS 40 1HB HIS 40 11.076 10.965 7.726
152 2HB HIS 40 2HB HIS 40 11.290 11.143 5.988
153 HD2 HIS 40 HD2 HIS 40 9.121 12.276 4.867
154 HE1 HIS 40 HE1 HIS 40 6.198 10.860 7.598
155 HE2 HIS 40 HE2 HIS 40 6.634 12.300 5.576
156 H ALA 41 H ALA 41 12.304 8.229 4.629
157 HA ALA 41 HA ALA 41 10.238 8.379 2.676
158 1HB ALA 41 1HB ALA 41 12.803 6.790 2.543
159 2HB ALA 41 2HB ALA 41 12.656 8.497 2.137
160 3HB ALA 41 3HB ALA 41 11.790 7.296 1.186
161 H GLN 42 H GLN 42 11.318 5.979 4.929
162 HA GLN 42 HA GLN 42 9.998 3.756 3.703
163 1HB GLN 42 1HB GLN 42 10.896 4.093 6.579
164 2HB GLN 42 2HB GLN 42 10.566 2.581 5.756
165 1HG GLN 42 1HG GLN 42 12.601 2.493 4.886
166 2HG GLN 42 2HG GLN 42 12.481 4.153 4.295
167 1HE2 GLN 42 1HE2 GLN 42 14.851 3.850 4.904
168 2HE2 GLN 42 2HE2 GLN 42 15.293 4.346 6.500
169 H ASP 43 H ASP 43 9.219 6.116 6.218
170 HA ASP 43 HA ASP 43 6.720 5.007 6.986
171 1HB ASP 43 1HB ASP 43 8.107 6.953 8.088
172 2HB ASP 43 2HB ASP 43 7.235 7.976 6.953
173 H ILE 44 H ILE 44 7.765 7.376 4.632
174 HA ILE 44 HA ILE 44 5.293 8.080 3.501
175 HB ILE 44 HB ILE 44 8.098 7.979 2.366
176 1HG1 ILE 44 1HG1 ILE 44 6.308 10.216 3.327
177 2HG1 ILE 44 2HG1 ILE 44 7.749 9.612 4.127
178 1HG2 ILE 44 1HG2 ILE 44 6.478 7.751 0.515
179 2HG2 ILE 44 2HG2 ILE 44 7.305 9.307 0.472
180 3HG2 ILE 44 3HG2 ILE 44 5.650 9.207 1.068
181 1HD1 ILE 44 1HD1 ILE 44 8.824 10.289 1.787
182 2HD1 ILE 44 2HD1 ILE 44 8.661 11.416 3.134
183 3HD1 ILE 44 3HD1 ILE 44 7.481 11.426 1.828
184 H TYR 45 H TYR 45 7.733 5.760 2.473
185 HA TYR 45 HA TYR 45 6.456 4.578 0.342
186 1HB TYR 45 1HB TYR 45 8.815 4.191 1.128
187 2HB TYR 45 2HB TYR 45 8.148 3.116 2.343
188 HD1 TYR 45 HD1 TYR 45 6.430 1.307 1.283
189 HD2 TYR 45 HD2 TYR 45 9.645 3.200 -0.752
190 HE1 TYR 45 HE1 TYR 45 6.475 -0.537 -0.341
191 HE2 TYR 45 HE2 TYR 45 9.699 1.364 -2.381
192 HH TYR 45 HH TYR 45 9.018 -1.060 -2.454
193 H LYS 46 H LYS 46 6.632 3.168 3.600
194 HA LYS 46 HA LYS 46 4.790 1.163 3.271
195 1HB LYS 46 1HB LYS 46 6.200 1.224 5.198
196 2HB LYS 46 2HB LYS 46 5.530 2.764 5.716
197 1HG LYS 46 1HG LYS 46 3.379 1.682 6.131
198 2HG LYS 46 2HG LYS 46 4.066 0.142 5.631
199 1HD LYS 46 1HD LYS 46 5.011 -0.187 7.623
200 2HD LYS 46 2HD LYS 46 5.688 1.442 7.646
201 1HE LYS 46 1HE LYS 46 2.829 0.772 8.312
202 2HE LYS 46 2HE LYS 46 4.108 0.976 9.507
203 1HZ LYS 46 1HZ LYS 46 4.039 3.190 7.741
204 2HZ LYS 46 2HZ LYS 46 3.856 3.162 9.422
205 3HZ LYS 46 3HZ LYS 46 2.509 2.945 8.423
206 H GLU 47 H GLU 47 4.142 4.414 4.612
207 HA GLU 47 HA GLU 47 1.405 4.072 5.023
208 1HB GLU 47 1HB GLU 47 2.935 6.579 4.351
209 2HB GLU 47 2HB GLU 47 1.261 6.548 4.890
210 1HG GLU 47 1HG GLU 47 2.960 5.051 6.672
211 2HG GLU 47 2HG GLU 47 3.528 6.708 6.476
212 H ALA 48 H ALA 48 3.156 5.037 2.120
213 HA ALA 48 HA ALA 48 0.775 5.607 0.627
214 1HB ALA 48 1HB ALA 48 3.665 5.304 -0.111
215 2HB ALA 48 2HB ALA 48 2.659 6.752 -0.143
216 3HB ALA 48 3HB ALA 48 2.411 5.479 -1.340
217 H PHE 49 H PHE 49 2.951 2.881 1.019
218 HA PHE 49 HA PHE 49 1.864 1.223 -0.971
219 1HB PHE 49 1HB PHE 49 4.001 0.683 0.038
220 2HB PHE 49 2HB PHE 49 3.253 0.516 1.617
221 HD1 PHE 49 HD1 PHE 49 1.405 -1.340 1.797
222 HD2 PHE 49 HD2 PHE 49 4.340 -1.159 -1.283
223 HE1 PHE 49 HE1 PHE 49 1.051 -3.732 1.315
224 HE2 PHE 49 HE2 PHE 49 3.990 -3.542 -1.759
225 HZ PHE 49 HZ PHE 49 2.340 -4.834 -0.470
226 H ASN 50 H ASN 50 1.176 1.451 2.523
227 HA ASN 50 HA ASN 50 -0.780 -0.513 2.671
228 1HB ASN 50 1HB ASN 50 -0.076 1.899 4.258
229 2HB ASN 50 2HB ASN 50 -1.662 1.188 4.545
230 1HD2 ASN 50 1HD2 ASN 50 1.274 -0.515 3.631
231 2HD2 ASN 50 2HD2 ASN 50 1.424 -1.420 5.095
232 H SER 51 H SER 51 -1.085 2.928 1.881
233 HA SER 51 HA SER 51 -3.862 3.091 1.728
234 1HB SER 51 1HB SER 51 -1.995 4.925 1.482
235 2HB SER 51 2HB SER 51 -2.145 4.568 -0.237
236 HG SER 51 HG SER 51 -4.157 5.494 1.528
237 H ALA 52 H ALA 52 -1.487 2.212 -0.753
238 HA ALA 52 HA ALA 52 -3.419 1.756 -2.794
239 1HB ALA 52 1HB ALA 52 -1.255 2.187 -3.572
240 2HB ALA 52 2HB ALA 52 -1.483 0.459 -3.856
241 3HB ALA 52 3HB ALA 52 -0.531 1.010 -2.476
242 H TRP 53 H TRP 53 -1.978 -0.172 -0.263
243 HA TRP 53 HA TRP 53 -2.799 -2.723 -1.188
244 1HB TRP 53 1HB TRP 53 -1.115 -2.759 0.455
245 2HB TRP 53 2HB TRP 53 -1.938 -1.587 1.469
246 HD1 TRP 53 HD1 TRP 53 -1.600 -5.303 0.873
247 HE1 TRP 53 HE1 TRP 53 -2.903 -6.579 2.672
248 HE3 TRP 53 HE3 TRP 53 -4.098 -1.383 2.991
249 HZ2 TRP 53 HZ2 TRP 53 -4.759 -6.008 4.723
250 HZ3 TRP 53 HZ3 TRP 53 -5.620 -1.832 4.871
251 HH2 TRP 53 HH2 TRP 53 -5.941 -4.099 5.719
252 H ASP 54 H ASP 54 -4.194 -0.480 1.223
253 HA ASP 54 HA ASP 54 -6.565 -2.004 1.596
254 1HB ASP 54 1HB ASP 54 -5.564 -0.286 3.196
255 2HB ASP 54 2HB ASP 54 -6.251 0.948 2.144
256 H GLN 55 H GLN 55 -5.634 0.618 -0.523
257 HA GLN 55 HA GLN 55 -8.246 1.230 -1.446
258 1HB GLN 55 1HB GLN 55 -5.484 1.828 -2.402
259 2HB GLN 55 2HB GLN 55 -6.832 2.101 -3.498
260 1HG GLN 55 1HG GLN 55 -7.734 3.320 -1.251
261 2HG GLN 55 2HG GLN 55 -5.997 3.597 -1.120
262 1HE2 GLN 55 1HE2 GLN 55 -5.025 5.028 -2.457
263 2HE2 GLN 55 2HE2 GLN 55 -5.867 5.987 -3.623
264 H TYR 56 H TYR 56 -5.964 -1.200 -2.168
265 HA TYR 56 HA TYR 56 -6.924 -1.978 -4.722
266 1HB TYR 56 1HB TYR 56 -4.731 -2.585 -3.245
267 2HB TYR 56 2HB TYR 56 -5.682 -4.041 -3.026
268 HD1 TYR 56 HD1 TYR 56 -4.108 -1.866 -5.529
269 HD2 TYR 56 HD2 TYR 56 -5.926 -5.621 -4.755
270 HE1 TYR 56 HE1 TYR 56 -3.325 -2.684 -7.709
271 HE2 TYR 56 HE2 TYR 56 -5.160 -6.453 -6.929
272 HH TYR 56 HH TYR 56 -2.910 -4.701 -8.890
273 H LYS 57 H LYS 57 -9.198 -1.656 -3.252
274 HA LYS 57 HA LYS 57 -10.103 -4.124 -2.117
275 1HB LYS 57 1HB LYS 57 -11.065 -1.410 -2.341
276 2HB LYS 57 2HB LYS 57 -12.343 -2.551 -2.741
277 1HG LYS 57 1HG LYS 57 -10.769 -3.155 -0.322
278 2HG LYS 57 2HG LYS 57 -11.811 -1.733 -0.248
279 1HD LYS 57 1HD LYS 57 -13.664 -2.980 -0.134
280 2HD LYS 57 2HD LYS 57 -13.136 -4.020 -1.460
281 1HE LYS 57 1HE LYS 57 -11.505 -4.963 0.383
282 2HE LYS 57 2HE LYS 57 -12.730 -4.319 1.475
283 1HZ LYS 57 1HZ LYS 57 -12.928 -6.521 -0.449
284 2HZ LYS 57 2HZ LYS 57 -14.319 -5.611 -0.130
285 3HZ LYS 57 3HZ LYS 57 -13.525 -6.412 1.130
286 H ASP 58 H ASP 58 -9.514 -3.261 -5.235
287 HA ASP 58 HA ASP 58 -11.808 -4.233 -6.583
288 1HB ASP 58 1HB ASP 58 -9.746 -2.768 -7.395
289 2HB ASP 58 2HB ASP 58 -9.113 -4.347 -7.855
290 H LYS 59 H LYS 59 -8.812 -5.738 -5.476
291 HA LYS 59 HA LYS 59 -9.893 -8.335 -5.390
292 1HB LYS 59 1HB LYS 59 -9.710 -7.916 -7.906
293 2HB LYS 59 2HB LYS 59 -7.971 -7.954 -7.662
294 1HG LYS 59 1HG LYS 59 -7.920 -10.173 -7.594
295 2HG LYS 59 2HG LYS 59 -9.287 -10.246 -6.488
296 1HD LYS 59 1HD LYS 59 -10.397 -9.463 -8.918
297 2HD LYS 59 2HD LYS 59 -9.199 -10.684 -9.350
298 1HE LYS 59 1HE LYS 59 -10.429 -12.341 -8.490
299 2HE LYS 59 2HE LYS 59 -10.794 -11.426 -7.029
300 1HZ LYS 59 1HZ LYS 59 -12.785 -11.945 -8.324
301 2HZ LYS 59 2HZ LYS 59 -12.164 -11.083 -9.641
302 3HZ LYS 59 3HZ LYS 59 -12.542 -10.275 -8.203
303 H GLU 60 H GLU 60 -8.439 -6.930 -3.591
304 HA GLU 60 HA GLU 60 -5.646 -7.606 -3.749
305 1HB GLU 60 1HB GLU 60 -5.483 -6.579 -1.515
306 2HB GLU 60 2HB GLU 60 -6.230 -5.533 -2.707
307 1HG GLU 60 1HG GLU 60 -7.789 -5.184 -1.162
308 2HG GLU 60 2HG GLU 60 -8.391 -6.782 -1.598
309 H ASP 61 H ASP 61 -8.321 -8.632 -1.618
310 HA ASP 61 HA ASP 61 -6.568 -10.757 -0.614
311 1HB ASP 61 1HB ASP 61 -8.574 -11.031 1.048
312 2HB ASP 61 2HB ASP 61 -7.433 -9.707 1.261
313 H ARG 62 H ARG 62 -7.637 -10.953 -3.203
314 HA ARG 62 HA ARG 62 -9.618 -13.092 -2.896
315 1HB ARG 62 1HB ARG 62 -8.906 -11.769 -5.499
316 2HB ARG 62 2HB ARG 62 -10.382 -12.622 -5.068
317 1HG ARG 62 1HG ARG 62 -9.509 -9.968 -3.932
318 2HG ARG 62 2HG ARG 62 -10.695 -10.189 -5.225
319 1HD ARG 62 1HD ARG 62 -12.006 -11.627 -3.622
320 2HD ARG 62 2HD ARG 62 -10.910 -11.078 -2.356
321 HE ARG 62 HE ARG 62 -11.891 -8.809 -3.616
322 1HH1 ARG 62 1HH1 ARG 62 -13.155 -11.473 -1.747
323 2HH1 ARG 62 2HH1 ARG 62 -14.470 -10.553 -1.095
324 1HH2 ARG 62 1HH2 ARG 62 -13.616 -7.599 -2.760
325 2HH2 ARG 62 2HH2 ARG 62 -14.734 -8.354 -1.674
326 H ARG 63 H ARG 63 -8.155 -13.213 -5.927
327 HA ARG 63 HA ARG 63 -6.607 -15.548 -5.098
328 1HB ARG 63 1HB ARG 63 -6.642 -16.197 -7.453
329 2HB ARG 63 2HB ARG 63 -8.269 -15.903 -6.854
330 1HG ARG 63 1HG ARG 63 -8.279 -13.712 -7.924
331 2HG ARG 63 2HG ARG 63 -6.636 -13.986 -8.507
332 1HD ARG 63 1HD ARG 63 -7.331 -15.732 -9.939
333 2HD ARG 63 2HD ARG 63 -8.914 -15.832 -9.171
334 HE ARG 63 HE ARG 63 -9.629 -14.097 -10.485
335 1HH1 ARG 63 1HH1 ARG 63 -6.145 -14.273 -10.639
336 2HH1 ARG 63 2HH1 ARG 63 -6.021 -13.115 -11.921
337 1HH2 ARG 63 1HH2 ARG 63 -9.464 -12.579 -12.172
338 2HH2 ARG 63 2HH2 ARG 63 -7.904 -12.152 -12.790
339 H ASP 64 H ASP 64 -6.278 -12.613 -7.065
340 HA ASP 64 HA ASP 64 -3.410 -13.062 -7.309
341 1HB ASP 64 1HB ASP 64 -4.887 -12.335 -9.238
342 2HB ASP 64 2HB ASP 64 -4.997 -10.765 -8.448
343 H ASP 65 H ASP 65 -3.762 -12.667 -4.738
344 HA ASP 65 HA ASP 65 -3.915 -10.044 -3.773
345 1HB ASP 65 1HB ASP 65 -2.283 -12.295 -2.578
346 2HB ASP 65 2HB ASP 65 -2.925 -10.889 -1.733
347 H ALA 66 H ALA 66 -1.189 -11.853 -5.079
348 HA ALA 66 HA ALA 66 0.917 -10.236 -4.249
349 1HB ALA 66 1HB ALA 66 2.229 -11.315 -5.767
350 2HB ALA 66 2HB ALA 66 0.990 -11.302 -7.022
351 3HB ALA 66 3HB ALA 66 0.876 -12.443 -5.681
352 H SER 67 H SER 67 -1.165 -9.892 -7.113
353 HA SER 67 HA SER 67 0.076 -7.732 -8.328
354 1HB SER 67 1HB SER 67 -1.942 -9.047 -9.144
355 2HB SER 67 2HB SER 67 -2.923 -8.008 -8.117
356 HG SER 67 HG SER 67 -1.248 -7.204 -10.262
357 H ARG 68 H ARG 68 -2.300 -7.795 -5.720
358 HA ARG 68 HA ARG 68 -2.626 -5.034 -5.383
359 1HB ARG 68 1HB ARG 68 -4.063 -6.596 -4.170
360 2HB ARG 68 2HB ARG 68 -2.665 -7.232 -3.298
361 1HG ARG 68 1HG ARG 68 -3.104 -4.328 -3.078
362 2HG ARG 68 2HG ARG 68 -4.295 -5.363 -2.296
363 1HD ARG 68 1HD ARG 68 -1.310 -5.384 -1.852
364 2HD ARG 68 2HD ARG 68 -2.549 -4.808 -0.735
365 HE ARG 68 HE ARG 68 -3.312 -7.333 -1.064
366 1HH1 ARG 68 1HH1 ARG 68 -0.144 -5.997 -0.453
367 2HH1 ARG 68 2HH1 ARG 68 0.424 -7.405 0.379
368 1HH2 ARG 68 1HH2 ARG 68 -2.560 -9.180 0.037
369 2HH2 ARG 68 2HH2 ARG 68 -0.941 -9.207 0.654
370 H GLU 69 H GLU 69 -0.562 -7.223 -3.478
371 HA GLU 69 HA GLU 69 0.918 -5.380 -2.099
372 1HB GLU 69 1HB GLU 69 1.063 -7.800 -1.735
373 2HB GLU 69 2HB GLU 69 1.874 -8.001 -3.285
374 1HG GLU 69 1HG GLU 69 3.830 -6.998 -2.510
375 2HG GLU 69 2HG GLU 69 3.006 -6.251 -1.149
376 H GLU 70 H GLU 70 1.585 -6.749 -5.302
377 HA GLU 70 HA GLU 70 3.916 -5.410 -5.935
378 1HB GLU 70 1HB GLU 70 2.517 -7.212 -7.234
379 2HB GLU 70 2HB GLU 70 1.768 -5.813 -7.993
380 1HG GLU 70 1HG GLU 70 3.488 -6.481 -9.433
381 2HG GLU 70 2HG GLU 70 4.096 -5.051 -8.598
382 H THR 71 H THR 71 0.610 -4.447 -6.883
383 HA THR 71 HA THR 71 1.188 -1.961 -7.939
384 HB THR 71 HB THR 71 -1.244 -2.767 -6.330
385 HG1 THR 71 HG1 THR 71 -1.229 -3.995 -8.116
386 1HG2 THR 71 1HG2 THR 71 -2.340 -0.964 -7.772
387 2HG2 THR 71 2HG2 THR 71 -0.701 -0.341 -7.991
388 3HG2 THR 71 3HG2 THR 71 -1.396 -0.451 -6.370
389 H ALA 72 H ALA 72 0.399 -2.728 -4.546
390 HA ALA 72 HA ALA 72 0.547 -0.179 -3.505
391 1HB ALA 72 1HB ALA 72 1.247 -1.280 -1.368
392 2HB ALA 72 2HB ALA 72 1.373 -2.797 -2.257
393 3HB ALA 72 3HB ALA 72 -0.183 -1.982 -2.115
394 H HIS 73 H HIS 73 3.163 -2.512 -4.038
395 HA HIS 73 HA HIS 73 5.320 -1.009 -3.109
396 1HB HIS 73 1HB HIS 73 5.110 -2.989 -5.382
397 2HB HIS 73 2HB HIS 73 6.629 -2.203 -4.986
398 HD2 HIS 73 HD2 HIS 73 4.444 -5.143 -3.797
399 HE1 HIS 73 HE1 HIS 73 7.729 -4.801 -1.136
400 HE2 HIS 73 HE2 HIS 73 5.730 -6.177 -1.806
401 H LYS 74 H LYS 74 3.830 -1.112 -6.320
402 HA LYS 74 HA LYS 74 5.393 0.808 -7.587
403 1HB LYS 74 1HB LYS 74 2.573 -0.145 -8.032
404 2HB LYS 74 2HB LYS 74 3.304 1.086 -9.055
405 1HG LYS 74 1HG LYS 74 4.348 -0.447 -10.243
406 2HG LYS 74 2HG LYS 74 5.095 -1.133 -8.805
407 1HD LYS 74 1HD LYS 74 3.906 -2.952 -9.444
408 2HD LYS 74 2HD LYS 74 2.628 -2.136 -8.553
409 1HE LYS 74 1HE LYS 74 2.577 -1.045 -11.135
410 2HE LYS 74 2HE LYS 74 2.780 -2.781 -11.352
411 1HZ LYS 74 1HZ LYS 74 0.822 -3.172 -10.042
412 2HZ LYS 74 2HZ LYS 74 0.441 -2.082 -11.277
413 3HZ LYS 74 3HZ LYS 74 0.660 -1.523 -9.697
414 H VAL 75 H VAL 75 2.393 1.171 -5.769
415 HA VAL 75 HA VAL 75 2.104 3.948 -6.244
416 HB VAL 75 HB VAL 75 1.014 2.310 -3.956
417 1HG1 VAL 75 1HG1 VAL 75 0.560 5.102 -4.889
418 2HG1 VAL 75 2HG1 VAL 75 0.610 4.457 -3.246
419 3HG1 VAL 75 3HG1 VAL 75 -0.814 4.191 -4.257
420 1HG2 VAL 75 1HG2 VAL 75 0.053 1.249 -5.709
421 2HG2 VAL 75 2HG2 VAL 75 0.275 2.621 -6.795
422 3HG2 VAL 75 3HG2 VAL 75 -1.052 2.623 -5.627
423 H ALA 76 H ALA 76 3.138 2.194 -3.320
424 HA ALA 76 HA ALA 76 3.852 4.279 -1.721
425 1HB ALA 76 1HB ALA 76 4.125 2.352 -0.587
426 2HB ALA 76 2HB ALA 76 5.808 2.580 -1.061
427 3HB ALA 76 3HB ALA 76 4.772 1.493 -1.985
428 H TRP 77 H TRP 77 5.895 2.752 -4.167
429 HA TRP 77 HA TRP 77 8.177 4.318 -3.764
430 1HB TRP 77 1HB TRP 77 7.129 2.695 -6.012
431 2HB TRP 77 2HB TRP 77 8.353 3.895 -6.417
432 HD1 TRP 77 HD1 TRP 77 8.073 0.442 -5.408
433 HE1 TRP 77 HE1 TRP 77 10.295 -0.481 -4.496
434 HE3 TRP 77 HE3 TRP 77 10.516 4.855 -4.677
435 HZ2 TRP 77 HZ2 TRP 77 12.761 0.541 -3.579
436 HZ3 TRP 77 HZ3 TRP 77 12.799 4.802 -3.769
437 HH2 TRP 77 HH2 TRP 77 13.901 2.689 -3.233
438 H ALA 78 H ALA 78 5.316 4.879 -5.782
439 HA ALA 78 HA ALA 78 6.074 7.192 -7.090
440 1HB ALA 78 1HB ALA 78 3.602 5.857 -6.509
441 2HB ALA 78 2HB ALA 78 3.991 6.945 -7.840
442 3HB ALA 78 3HB ALA 78 3.393 7.596 -6.314
443 H ALA 79 H ALA 79 4.761 6.830 -3.813
444 HA ALA 79 HA ALA 79 4.726 9.579 -3.154
445 1HB ALA 79 1HB ALA 79 4.410 7.016 -1.740
446 2HB ALA 79 2HB ALA 79 3.501 8.520 -1.583
447 3HB ALA 79 3HB ALA 79 5.046 8.338 -0.759
448 H VAL 80 H VAL 80 7.050 6.966 -2.653
449 HA VAL 80 HA VAL 80 9.003 8.413 -1.291
450 HB VAL 80 HB VAL 80 9.282 6.000 -3.114
451 1HG1 VAL 80 1HG1 VAL 80 11.286 7.694 -1.981
452 2HG1 VAL 80 2HG1 VAL 80 11.488 6.221 -2.930
453 3HG1 VAL 80 3HG1 VAL 80 11.340 6.130 -1.176
454 1HG2 VAL 80 1HG2 VAL 80 9.708 5.130 -0.593
455 2HG2 VAL 80 2HG2 VAL 80 8.130 5.116 -1.380
456 3HG2 VAL 80 3HG2 VAL 80 8.557 6.430 -0.283
457 H LYS 81 H LYS 81 8.689 7.741 -4.798
458 HA LYS 81 HA LYS 81 10.942 9.230 -5.573
459 1HB LYS 81 1HB LYS 81 8.438 8.536 -7.115
460 2HB LYS 81 2HB LYS 81 9.914 9.168 -7.830
461 1HG LYS 81 1HG LYS 81 11.125 7.192 -7.056
462 2HG LYS 81 2HG LYS 81 9.636 6.555 -6.363
463 1HD LYS 81 1HD LYS 81 8.677 6.797 -8.735
464 2HD LYS 81 2HD LYS 81 10.358 6.941 -9.249
465 1HE LYS 81 1HE LYS 81 10.256 4.736 -7.512
466 2HE LYS 81 2HE LYS 81 8.855 4.588 -8.573
467 1HZ LYS 81 1HZ LYS 81 11.289 3.729 -9.215
468 2HZ LYS 81 2HZ LYS 81 11.355 5.287 -9.873
469 3HZ LYS 81 3HZ LYS 81 10.142 4.214 -10.362
470 H HIS 82 H HIS 82 7.902 10.240 -4.448
471 HA HIS 82 HA HIS 82 7.907 12.791 -5.833
472 1HB HIS 82 1HB HIS 82 5.863 11.313 -4.957
473 2HB HIS 82 2HB HIS 82 6.107 12.285 -3.512
474 HD2 HIS 82 HD2 HIS 82 6.152 15.214 -4.284
475 HE1 HIS 82 HE1 HIS 82 3.218 14.467 -7.257
476 HE2 HIS 82 HE2 HIS 82 4.447 16.231 -5.941
477 H GLU 83 H GLU 83 8.287 11.600 -2.520
478 HA GLU 83 HA GLU 83 9.190 14.233 -1.630
479 1HB GLU 83 1HB GLU 83 9.009 11.879 0.197
480 2HB GLU 83 2HB GLU 83 8.681 13.576 0.519
481 1HG GLU 83 1HG GLU 83 6.757 13.007 -1.294
482 2HG GLU 83 2HG GLU 83 6.903 11.459 -0.464
483 H TYR 84 H TYR 84 10.489 11.327 -2.716
484 HA TYR 84 HA TYR 84 13.131 12.089 -1.693
485 1HB TYR 84 1HB TYR 84 11.831 9.386 -1.591
486 2HB TYR 84 2HB TYR 84 13.582 9.538 -1.606
487 HD1 TYR 84 HD1 TYR 84 14.766 10.220 0.354
488 HD2 TYR 84 HD2 TYR 84 10.519 10.364 0.272
489 HE1 TYR 84 HE1 TYR 84 14.741 10.645 2.778
490 HE2 TYR 84 HE2 TYR 84 10.486 10.792 2.698
491 HH TYR 84 HH TYR 84 13.201 11.697 4.445
492 H ALA 85 H ALA 85 14.894 11.590 -2.981
493 HA ALA 85 HA ALA 85 14.265 10.865 -5.773
494 1HB ALA 85 1HB ALA 85 14.804 13.052 -6.093
495 2HB ALA 85 2HB ALA 85 16.431 12.375 -6.127
496 3HB ALA 85 3HB ALA 85 15.820 13.130 -4.653
497 H LYS 86 H LYS 86 15.753 9.574 -6.872
498 HA LYS 86 HA LYS 86 17.648 8.169 -5.139
499 1HB LYS 86 1HB LYS 86 15.895 6.946 -6.548
500 2HB LYS 86 2HB LYS 86 16.891 7.359 -7.933
501 1HG LYS 86 1HG LYS 86 18.770 6.153 -6.952
502 2HG LYS 86 2HG LYS 86 17.779 5.746 -5.550
503 1HD LYS 86 1HD LYS 86 17.745 3.846 -6.964
504 2HD LYS 86 2HD LYS 86 16.181 4.638 -7.152
505 1HE LYS 86 1HE LYS 86 17.748 5.834 -9.084
506 2HE LYS 86 2HE LYS 86 18.274 4.151 -9.111
507 1HZ LYS 86 1HZ LYS 86 16.229 4.976 -10.513
508 2HZ LYS 86 2HZ LYS 86 15.397 4.687 -9.071
509 3HZ LYS 86 3HZ LYS 86 16.251 3.433 -9.818
510 H GLY 87 H GLY 87 19.748 8.699 -5.231
511 1HA GLY 87 1HA GLY 87 20.741 10.407 -7.316
512 2HA GLY 87 2HA GLY 87 21.665 9.752 -5.972
513 H ASP 88 H ASP 88 23.363 9.440 -7.614
514 HA ASP 88 HA ASP 88 22.848 7.327 -9.550
515 1HB ASP 88 1HB ASP 88 25.185 7.828 -10.303
516 2HB ASP 88 2HB ASP 88 24.080 9.195 -10.400
517 H ASP 89 H ASP 89 22.846 6.617 -6.722
518 HA ASP 89 HA ASP 89 25.027 4.649 -6.801
519 1HB ASP 89 1HB ASP 89 24.201 6.349 -4.468
520 2HB ASP 89 2HB ASP 89 25.109 4.856 -4.306
521 H ASP 90 H ASP 90 21.881 4.982 -6.994
522 HA ASP 90 HA ASP 90 20.124 3.558 -6.845
523 1HB ASP 90 1HB ASP 90 21.915 1.782 -7.145
524 2HB ASP 90 2HB ASP 90 21.876 1.638 -5.406
525 H LYS 91 H LYS 91 20.863 5.521 -4.871
526 HA LYS 91 HA LYS 91 19.366 4.421 -2.594
527 1HB LYS 91 1HB LYS 91 21.774 6.233 -2.495
528 2HB LYS 91 2HB LYS 91 20.742 5.903 -1.122
529 1HG LYS 91 1HG LYS 91 21.354 3.593 -1.128
530 2HG LYS 91 2HG LYS 91 22.229 3.786 -2.649
531 1HD LYS 91 1HD LYS 91 23.328 5.699 -0.926
532 2HD LYS 91 2HD LYS 91 23.124 4.230 0.064
533 1HE LYS 91 1HE LYS 91 24.204 3.022 -1.956
534 2HE LYS 91 2HE LYS 91 24.746 4.631 -2.429
535 1HZ LYS 91 1HZ LYS 91 25.618 2.956 -0.222
536 2HZ LYS 91 2HZ LYS 91 25.484 4.607 0.117
537 3HZ LYS 91 3HZ LYS 91 26.486 4.082 -1.138
538 H TRP 92 H TRP 92 18.195 6.126 -1.363
539 HA TRP 92 HA TRP 92 17.500 8.328 -3.175
540 1HB TRP 92 1HB TRP 92 15.704 6.953 -1.182
541 2HB TRP 92 2HB TRP 92 15.235 8.258 -2.271
542 HD1 TRP 92 HD1 TRP 92 16.577 4.638 -2.504
543 HE1 TRP 92 HE1 TRP 92 15.603 3.556 -4.623
544 HE3 TRP 92 HE3 TRP 92 14.057 8.668 -4.376
545 HZ2 TRP 92 HZ2 TRP 92 13.976 4.312 -6.801
546 HZ3 TRP 92 HZ3 TRP 92 12.816 8.404 -6.484
547 HH2 TRP 92 HH2 TRP 92 12.780 6.269 -7.669
548 H HIS 93 H HIS 93 16.634 10.261 -2.224
549 HA HIS 93 HA HIS 93 17.314 10.847 0.545
550 1HB HIS 93 1HB HIS 93 18.494 12.951 -0.149
551 2HB HIS 93 2HB HIS 93 19.366 11.481 -0.570
552 HD2 HIS 93 HD2 HIS 93 18.935 10.767 -3.428
553 HE1 HIS 93 HE1 HIS 93 18.438 14.850 -4.467
554 HE2 HIS 93 HE2 HIS 93 18.769 12.507 -5.334
555 H LYS 94 H LYS 94 15.845 12.307 1.420
556 HA LYS 94 HA LYS 94 13.450 12.688 0.085
557 1HB LYS 94 1HB LYS 94 13.940 12.956 2.613
558 2HB LYS 94 2HB LYS 94 14.247 14.639 2.202
559 1HG LYS 94 1HG LYS 94 11.997 14.730 1.133
560 2HG LYS 94 2HG LYS 94 11.693 13.105 1.744
561 1HD LYS 94 1HD LYS 94 12.092 13.961 4.051
562 2HD LYS 94 2HD LYS 94 12.225 15.588 3.376
563 1HE LYS 94 1HE LYS 94 9.988 15.736 2.925
564 2HE LYS 94 2HE LYS 94 9.812 13.997 2.682
565 1HZ LYS 94 1HZ LYS 94 10.240 13.862 5.191
566 2HZ LYS 94 2HZ LYS 94 8.721 14.392 4.672
567 3HZ LYS 94 3HZ LYS 94 9.867 15.512 5.216
568 H LYS 95 H LYS 95 12.801 13.879 -1.428
569 HA LYS 95 HA LYS 95 14.357 16.036 -2.486
570 1HB LYS 95 1HB LYS 95 11.884 14.566 -3.286
571 2HB LYS 95 2HB LYS 95 12.267 16.099 -4.038
572 1HG LYS 95 1HG LYS 95 14.398 14.056 -3.930
573 2HG LYS 95 2HG LYS 95 13.062 13.800 -5.054
574 1HD LYS 95 1HD LYS 95 14.299 16.492 -5.016
575 2HD LYS 95 2HD LYS 95 15.257 15.177 -5.705
576 1HE LYS 95 1HE LYS 95 13.362 14.620 -7.184
577 2HE LYS 95 2HE LYS 95 12.472 15.994 -6.531
578 1HZ LYS 95 1HZ LYS 95 15.007 16.092 -8.070
579 2HZ LYS 95 2HZ LYS 95 14.288 17.435 -7.336
580 3HZ LYS 95 3HZ LYS 95 13.487 16.622 -8.585
581 H SER 96 H SER 96 10.859 15.970 -2.132
582 HA SER 96 HA SER 96 10.839 18.731 -1.263
583 1HB SER 96 1HB SER 96 8.846 16.796 -2.284
584 2HB SER 96 2HB SER 96 8.233 17.999 -1.151
585 HG SER 96 HG SER 96 9.106 18.298 -3.739
Start of MODEL 14
1 HA PRO 22 HA PRO 22 2.520 -7.555 4.901
2 1HB PRO 22 1HB PRO 22 3.847 -5.790 2.980
3 2HB PRO 22 2HB PRO 22 3.450 -7.499 2.832
4 1HG PRO 22 1HG PRO 22 2.172 -5.623 1.404
5 2HG PRO 22 2HG PRO 22 1.354 -7.081 1.986
6 1HD PRO 22 1HD PRO 22 1.307 -4.316 3.134
7 2HD PRO 22 2HD PRO 22 -0.033 -5.448 2.877
8 H TYR 23 H TYR 23 2.352 -4.139 5.290
9 HA TYR 23 HA TYR 23 4.879 -4.158 6.800
10 1HB TYR 23 1HB TYR 23 3.571 -1.796 5.432
11 2HB TYR 23 2HB TYR 23 5.113 -1.785 6.285
12 HD1 TYR 23 HD1 TYR 23 4.107 -1.352 3.196
13 HD2 TYR 23 HD2 TYR 23 6.353 -4.262 5.341
14 HE1 TYR 23 HE1 TYR 23 5.247 -1.999 1.115
15 HE2 TYR 23 HE2 TYR 23 7.495 -4.916 3.270
16 HH TYR 23 HH TYR 23 7.138 -3.108 0.314
17 H LYS 24 H LYS 24 4.874 -3.253 8.869
18 HA LYS 24 HA LYS 24 2.199 -2.589 9.901
19 1HB LYS 24 1HB LYS 24 3.940 -4.656 10.668
20 2HB LYS 24 2HB LYS 24 3.984 -3.479 11.971
21 1HG LYS 24 1HG LYS 24 2.269 -5.342 12.138
22 2HG LYS 24 2HG LYS 24 1.696 -3.696 12.400
23 1HD LYS 24 1HD LYS 24 1.535 -4.445 9.604
24 2HD LYS 24 2HD LYS 24 0.647 -5.574 10.630
25 1HE LYS 24 1HE LYS 24 -0.029 -3.108 11.660
26 2HE LYS 24 2HE LYS 24 0.043 -2.815 9.922
27 1HZ LYS 24 1HZ LYS 24 -2.044 -3.930 11.301
28 2HZ LYS 24 2HZ LYS 24 -1.317 -5.248 10.529
29 3HZ LYS 24 3HZ LYS 24 -1.842 -3.920 9.621
30 H THR 25 H THR 25 5.679 -1.867 10.240
31 HA THR 25 HA THR 25 4.873 0.677 11.472
32 HB THR 25 HB THR 25 6.830 0.618 12.881
33 HG1 THR 25 HG1 THR 25 8.459 -0.512 12.238
34 1HG2 THR 25 1HG2 THR 25 5.565 -0.501 14.313
35 2HG2 THR 25 2HG2 THR 25 6.368 -1.966 13.749
36 3HG2 THR 25 3HG2 THR 25 4.836 -1.466 13.030
37 H LYS 26 H LYS 26 7.777 -0.838 10.065
38 HA LYS 26 HA LYS 26 7.950 0.767 7.785
39 1HB LYS 26 1HB LYS 26 8.563 2.252 10.054
40 2HB LYS 26 2HB LYS 26 10.132 1.795 9.420
41 1HG LYS 26 1HG LYS 26 9.549 2.752 7.277
42 2HG LYS 26 2HG LYS 26 7.954 3.182 7.882
43 1HD LYS 26 1HD LYS 26 10.502 4.155 9.152
44 2HD LYS 26 2HD LYS 26 9.669 5.041 7.874
45 1HE LYS 26 1HE LYS 26 7.654 5.138 9.260
46 2HE LYS 26 2HE LYS 26 8.493 4.257 10.538
47 1HZ LYS 26 1HZ LYS 26 9.519 6.823 9.484
48 2HZ LYS 26 2HZ LYS 26 9.905 6.056 10.941
49 3HZ LYS 26 3HZ LYS 26 8.383 6.766 10.737
50 H SER 27 H SER 27 10.018 -0.572 10.362
51 HA SER 27 HA SER 27 12.171 -1.339 8.777
52 1HB SER 27 1HB SER 27 11.162 -2.879 11.174
53 2HB SER 27 2HB SER 27 12.817 -2.795 10.572
54 HG SER 27 HG SER 27 11.304 -0.797 11.871
55 H ASP 28 H ASP 28 9.006 -2.676 9.020
56 HA ASP 28 HA ASP 28 9.576 -5.294 8.085
57 1HB ASP 28 1HB ASP 28 7.096 -3.624 8.309
58 2HB ASP 28 2HB ASP 28 7.052 -5.160 7.446
59 H LEU 29 H LEU 29 9.714 -2.309 6.529
60 HA LEU 29 HA LEU 29 8.698 -2.894 3.989
61 1HB LEU 29 1HB LEU 29 10.865 -1.022 4.908
62 2HB LEU 29 2HB LEU 29 10.355 -1.120 3.233
63 HG LEU 29 HG LEU 29 8.606 -0.340 5.566
64 1HD1 LEU 29 1HD1 LEU 29 9.110 1.523 3.353
65 2HD1 LEU 29 2HD1 LEU 29 10.497 1.189 4.396
66 3HD1 LEU 29 3HD1 LEU 29 8.993 1.812 5.092
67 1HD2 LEU 29 1HD2 LEU 29 6.995 0.284 3.757
68 2HD2 LEU 29 2HD2 LEU 29 7.245 -1.451 3.959
69 3HD2 LEU 29 3HD2 LEU 29 8.024 -0.597 2.626
70 HA PRO 30 HA PRO 30 11.570 -5.534 1.990
71 1HB PRO 30 1HB PRO 30 11.893 -3.629 -0.229
72 2HB PRO 30 2HB PRO 30 11.237 -5.259 -0.248
73 1HG PRO 30 1HG PRO 30 9.659 -3.139 -0.542
74 2HG PRO 30 2HG PRO 30 9.141 -4.550 0.378
75 1HD PRO 30 1HD PRO 30 10.179 -1.931 1.383
76 2HD PRO 30 2HD PRO 30 8.817 -2.900 1.969
77 H GLU 31 H GLU 31 13.668 -5.945 2.161
78 HA GLU 31 HA GLU 31 15.514 -4.225 3.257
79 1HB GLU 31 1HB GLU 31 17.264 -5.773 2.434
80 2HB GLU 31 2HB GLU 31 15.908 -6.614 3.171
81 1HG GLU 31 1HG GLU 31 15.087 -6.674 0.641
82 2HG GLU 31 2HG GLU 31 16.827 -6.590 0.363
83 H SER 32 H SER 32 15.081 -4.965 -0.200
84 HA SER 32 HA SER 32 17.065 -3.248 -1.185
85 1HB SER 32 1HB SER 32 15.657 -3.267 -3.292
86 2HB SER 32 2HB SER 32 16.140 -4.849 -2.679
87 HG SER 32 HG SER 32 14.100 -5.193 -1.946
88 H VAL 33 H VAL 33 14.082 -2.556 0.288
89 HA VAL 33 HA VAL 33 13.867 0.095 -0.900
90 HB VAL 33 HB VAL 33 12.108 -1.306 1.134
91 1HG1 VAL 33 1HG1 VAL 33 11.081 0.622 1.557
92 2HG1 VAL 33 2HG1 VAL 33 10.891 0.954 -0.164
93 3HG1 VAL 33 3HG1 VAL 33 12.363 1.444 0.670
94 1HG2 VAL 33 1HG2 VAL 33 10.598 -1.726 -0.582
95 2HG2 VAL 33 2HG2 VAL 33 12.159 -2.068 -1.324
96 3HG2 VAL 33 3HG2 VAL 33 11.336 -0.544 -1.659
97 H LYS 34 H LYS 34 14.107 -1.367 2.338
98 HA LYS 34 HA LYS 34 14.605 1.031 3.730
99 1HB LYS 34 1HB LYS 34 15.489 -1.771 4.468
100 2HB LYS 34 2HB LYS 34 15.315 -0.409 5.566
101 1HG LYS 34 1HG LYS 34 12.951 -0.413 5.331
102 2HG LYS 34 2HG LYS 34 13.027 -1.567 3.996
103 1HD LYS 34 1HD LYS 34 13.804 -2.101 6.865
104 2HD LYS 34 2HD LYS 34 12.343 -2.672 6.058
105 1HE LYS 34 1HE LYS 34 13.716 -3.956 4.487
106 2HE LYS 34 2HE LYS 34 15.173 -3.390 5.298
107 1HZ LYS 34 1HZ LYS 34 13.618 -5.609 5.934
108 2HZ LYS 34 2HZ LYS 34 13.449 -4.512 7.211
109 3HZ LYS 34 3HZ LYS 34 14.988 -5.032 6.744
110 H HIS 35 H HIS 35 16.698 -1.172 1.975
111 HA HIS 35 HA HIS 35 19.157 -0.080 3.032
112 1HB HIS 35 1HB HIS 35 18.397 -2.392 1.526
113 2HB HIS 35 2HB HIS 35 19.672 -1.547 0.666
114 HD2 HIS 35 HD2 HIS 35 19.177 -2.885 4.365
115 HE1 HIS 35 HE1 HIS 35 23.254 -3.228 3.235
116 HE2 HIS 35 HE2 HIS 35 21.528 -3.760 4.996
117 H VAL 36 H VAL 36 17.187 1.605 1.492
118 HA VAL 36 HA VAL 36 19.150 2.994 -0.140
119 HB VAL 36 HB VAL 36 17.449 3.192 -2.014
120 1HG1 VAL 36 1HG1 VAL 36 19.511 1.558 -1.777
121 2HG1 VAL 36 2HG1 VAL 36 18.411 1.456 -3.152
122 3HG1 VAL 36 3HG1 VAL 36 18.243 0.333 -1.806
123 1HG2 VAL 36 1HG2 VAL 36 15.476 2.417 -0.874
124 2HG2 VAL 36 2HG2 VAL 36 16.235 0.860 -0.533
125 3HG2 VAL 36 3HG2 VAL 36 15.838 1.305 -2.195
126 H LEU 37 H LEU 37 15.906 2.793 1.240
127 HA LEU 37 HA LEU 37 15.439 5.604 0.955
128 1HB LEU 37 1HB LEU 37 13.927 3.277 1.853
129 2HB LEU 37 2HB LEU 37 13.609 4.718 2.797
130 HG LEU 37 HG LEU 37 12.522 5.757 1.106
131 1HD1 LEU 37 1HD1 LEU 37 14.504 4.455 -0.696
132 2HD1 LEU 37 2HD1 LEU 37 14.184 6.171 -0.430
133 3HD1 LEU 37 3HD1 LEU 37 13.039 5.189 -1.354
134 1HD2 LEU 37 1HD2 LEU 37 10.936 4.339 0.490
135 2HD2 LEU 37 2HD2 LEU 37 11.898 3.104 1.299
136 3HD2 LEU 37 3HD2 LEU 37 12.063 3.351 -0.439
137 HA PRO 38 HA PRO 38 17.786 7.076 4.299
138 1HB PRO 38 1HB PRO 38 15.629 9.148 4.233
139 2HB PRO 38 2HB PRO 38 17.384 9.349 4.226
140 1HG PRO 38 1HG PRO 38 16.070 9.636 1.960
141 2HG PRO 38 2HG PRO 38 17.563 8.687 1.967
142 1HD PRO 38 1HD PRO 38 14.725 7.740 1.973
143 2HD PRO 38 2HD PRO 38 16.111 7.169 1.021
144 H SER 39 H SER 39 14.545 8.232 5.197
145 HA SER 39 HA SER 39 14.347 6.270 7.324
146 1HB SER 39 1HB SER 39 13.934 8.582 8.783
147 2HB SER 39 2HB SER 39 15.378 7.572 8.846
148 HG SER 39 HG SER 39 16.067 9.619 8.400
149 H HIS 40 H HIS 40 12.999 9.536 6.936
150 HA HIS 40 HA HIS 40 10.364 8.756 7.510
151 1HB HIS 40 1HB HIS 40 11.297 11.091 7.631
152 2HB HIS 40 2HB HIS 40 11.169 11.159 5.876
153 HD2 HIS 40 HD2 HIS 40 9.243 13.202 6.188
154 HE1 HIS 40 HE1 HIS 40 6.230 10.626 7.685
155 HE2 HIS 40 HE2 HIS 40 6.744 12.925 6.793
156 H ALA 41 H ALA 41 12.217 8.293 4.696
157 HA ALA 41 HA ALA 41 10.161 8.404 2.735
158 1HB ALA 41 1HB ALA 41 12.644 6.716 2.574
159 2HB ALA 41 2HB ALA 41 12.670 8.460 2.347
160 3HB ALA 41 3HB ALA 41 11.727 7.452 1.257
161 H GLN 42 H GLN 42 11.287 5.989 4.977
162 HA GLN 42 HA GLN 42 9.976 3.771 3.749
163 1HB GLN 42 1HB GLN 42 10.853 4.080 6.635
164 2HB GLN 42 2HB GLN 42 10.558 2.581 5.773
165 1HG GLN 42 1HG GLN 42 12.606 2.533 4.945
166 2HG GLN 42 2HG GLN 42 12.464 4.191 4.352
167 1HE2 GLN 42 1HE2 GLN 42 14.831 3.943 4.994
168 2HE2 GLN 42 2HE2 GLN 42 15.243 4.441 6.597
169 H ASP 43 H ASP 43 9.148 6.117 6.239
170 HA ASP 43 HA ASP 43 6.664 4.960 7.012
171 1HB ASP 43 1HB ASP 43 7.957 6.821 8.223
172 2HB ASP 43 2HB ASP 43 7.325 7.919 7.003
173 H ILE 44 H ILE 44 7.715 7.270 4.622
174 HA ILE 44 HA ILE 44 5.225 7.971 3.488
175 HB ILE 44 HB ILE 44 8.001 7.861 2.274
176 1HG1 ILE 44 1HG1 ILE 44 6.383 10.117 3.474
177 2HG1 ILE 44 2HG1 ILE 44 7.832 9.393 4.148
178 1HG2 ILE 44 1HG2 ILE 44 5.482 8.272 0.986
179 2HG2 ILE 44 2HG2 ILE 44 7.099 8.357 0.291
180 3HG2 ILE 44 3HG2 ILE 44 6.362 9.800 0.988
181 1HD1 ILE 44 1HD1 ILE 44 8.890 10.135 1.881
182 2HD1 ILE 44 2HD1 ILE 44 8.686 11.286 3.204
183 3HD1 ILE 44 3HD1 ILE 44 7.539 11.259 1.871
184 H TYR 45 H TYR 45 7.712 5.686 2.475
185 HA TYR 45 HA TYR 45 6.456 4.504 0.323
186 1HB TYR 45 1HB TYR 45 8.802 4.140 0.914
187 2HB TYR 45 2HB TYR 45 8.295 3.224 2.323
188 HD1 TYR 45 HD1 TYR 45 6.882 1.128 1.913
189 HD2 TYR 45 HD2 TYR 45 9.151 3.057 -1.113
190 HE1 TYR 45 HE1 TYR 45 6.816 -0.929 0.562
191 HE2 TYR 45 HE2 TYR 45 9.097 1.020 -2.473
192 HH TYR 45 HH TYR 45 7.038 -1.332 -2.169
193 H LYS 46 H LYS 46 6.490 3.345 3.686
194 HA LYS 46 HA LYS 46 4.743 1.194 3.311
195 1HB LYS 46 1HB LYS 46 6.128 1.359 5.285
196 2HB LYS 46 2HB LYS 46 5.319 2.841 5.775
197 1HG LYS 46 1HG LYS 46 3.265 1.639 6.154
198 2HG LYS 46 2HG LYS 46 3.997 0.145 5.571
199 1HD LYS 46 1HD LYS 46 4.922 -0.270 7.560
200 2HD LYS 46 2HD LYS 46 5.580 1.363 7.667
201 1HE LYS 46 1HE LYS 46 4.084 0.990 9.515
202 2HE LYS 46 2HE LYS 46 3.363 2.164 8.416
203 1HZ LYS 46 1HZ LYS 46 1.957 0.452 7.516
204 2HZ LYS 46 2HZ LYS 46 1.772 0.487 9.197
205 3HZ LYS 46 3HZ LYS 46 2.696 -0.730 8.474
206 H GLU 47 H GLU 47 4.047 4.482 4.518
207 HA GLU 47 HA GLU 47 1.296 4.124 4.881
208 1HB GLU 47 1HB GLU 47 2.855 6.618 4.233
209 2HB GLU 47 2HB GLU 47 1.154 6.608 4.671
210 1HG GLU 47 1HG GLU 47 2.704 5.139 6.592
211 2HG GLU 47 2HG GLU 47 3.343 6.769 6.380
212 H ALA 48 H ALA 48 3.131 5.101 2.039
213 HA ALA 48 HA ALA 48 0.813 5.647 0.463
214 1HB ALA 48 1HB ALA 48 3.716 5.270 -0.209
215 2HB ALA 48 2HB ALA 48 2.773 6.759 -0.213
216 3HB ALA 48 3HB ALA 48 2.487 5.534 -1.447
217 H PHE 49 H PHE 49 2.954 2.906 0.949
218 HA PHE 49 HA PHE 49 1.908 1.219 -1.040
219 1HB PHE 49 1HB PHE 49 3.999 0.669 0.056
220 2HB PHE 49 2HB PHE 49 3.197 0.564 1.614
221 HD1 PHE 49 HD1 PHE 49 1.321 -1.257 1.800
222 HD2 PHE 49 HD2 PHE 49 4.327 -1.211 -1.214
223 HE1 PHE 49 HE1 PHE 49 0.922 -3.648 1.368
224 HE2 PHE 49 HE2 PHE 49 3.927 -3.596 -1.644
225 HZ PHE 49 HZ PHE 49 2.223 -4.822 -0.365
226 H ASN 50 H ASN 50 1.167 1.438 2.440
227 HA ASN 50 HA ASN 50 -0.838 -0.450 2.586
228 1HB ASN 50 1HB ASN 50 -0.153 1.999 4.128
229 2HB ASN 50 2HB ASN 50 -1.745 1.297 4.395
230 1HD2 ASN 50 1HD2 ASN 50 1.511 -0.013 3.861
231 2HD2 ASN 50 2HD2 ASN 50 1.505 -1.045 5.247
232 H SER 51 H SER 51 -1.082 2.978 1.715
233 HA SER 51 HA SER 51 -3.851 3.180 1.513
234 1HB SER 51 1HB SER 51 -1.917 4.965 1.204
235 2HB SER 51 2HB SER 51 -2.135 4.578 -0.502
236 HG SER 51 HG SER 51 -3.941 5.647 -0.492
237 H ALA 52 H ALA 52 -1.464 2.217 -0.911
238 HA ALA 52 HA ALA 52 -3.359 1.738 -2.979
239 1HB ALA 52 1HB ALA 52 -1.456 0.447 -4.016
240 2HB ALA 52 2HB ALA 52 -0.514 0.856 -2.581
241 3HB ALA 52 3HB ALA 52 -1.119 2.135 -3.631
242 H TRP 53 H TRP 53 -2.060 -0.129 -0.338
243 HA TRP 53 HA TRP 53 -2.903 -2.694 -1.216
244 1HB TRP 53 1HB TRP 53 -1.269 -2.722 0.472
245 2HB TRP 53 2HB TRP 53 -2.076 -1.482 1.414
246 HD1 TRP 53 HD1 TRP 53 -1.879 -5.230 0.956
247 HE1 TRP 53 HE1 TRP 53 -3.263 -6.387 2.781
248 HE3 TRP 53 HE3 TRP 53 -4.225 -1.134 2.908
249 HZ2 TRP 53 HZ2 TRP 53 -5.112 -5.664 4.788
250 HZ3 TRP 53 HZ3 TRP 53 -5.788 -1.453 4.780
251 HH2 TRP 53 HH2 TRP 53 -6.218 -3.672 5.703
252 H ASP 54 H ASP 54 -4.305 -0.355 1.102
253 HA ASP 54 HA ASP 54 -6.743 -1.789 1.428
254 1HB ASP 54 1HB ASP 54 -5.932 -0.222 3.137
255 2HB ASP 54 2HB ASP 54 -6.084 1.111 1.999
256 H GLN 55 H GLN 55 -5.627 0.725 -0.733
257 HA GLN 55 HA GLN 55 -8.181 1.440 -1.741
258 1HB GLN 55 1HB GLN 55 -5.372 1.862 -2.683
259 2HB GLN 55 2HB GLN 55 -6.708 2.217 -3.768
260 1HG GLN 55 1HG GLN 55 -7.510 3.495 -1.511
261 2HG GLN 55 2HG GLN 55 -5.761 3.666 -1.403
262 1HE2 GLN 55 1HE2 GLN 55 -4.674 4.896 -2.908
263 2HE2 GLN 55 2HE2 GLN 55 -5.485 5.956 -4.004
264 H TYR 56 H TYR 56 -5.995 -1.110 -2.341
265 HA TYR 56 HA TYR 56 -6.974 -1.934 -4.879
266 1HB TYR 56 1HB TYR 56 -4.828 -2.604 -3.297
267 2HB TYR 56 2HB TYR 56 -5.839 -4.034 -3.185
268 HD1 TYR 56 HD1 TYR 56 -4.147 -1.786 -5.560
269 HD2 TYR 56 HD2 TYR 56 -5.975 -5.567 -4.952
270 HE1 TYR 56 HE1 TYR 56 -3.295 -2.540 -7.734
271 HE2 TYR 56 HE2 TYR 56 -5.139 -6.330 -7.122
272 HH TYR 56 HH TYR 56 -4.082 -4.376 -9.487
273 H LYS 57 H LYS 57 -9.191 -1.450 -3.330
274 HA LYS 57 HA LYS 57 -10.208 -3.861 -2.169
275 1HB LYS 57 1HB LYS 57 -11.184 -1.095 -2.579
276 2HB LYS 57 2HB LYS 57 -12.416 -2.346 -2.462
277 1HG LYS 57 1HG LYS 57 -11.199 -3.070 -0.326
278 2HG LYS 57 2HG LYS 57 -10.394 -1.505 -0.419
279 1HD LYS 57 1HD LYS 57 -13.363 -1.603 -0.647
280 2HD LYS 57 2HD LYS 57 -12.626 -1.808 0.944
281 1HE LYS 57 1HE LYS 57 -11.286 0.358 -0.162
282 2HE LYS 57 2HE LYS 57 -12.963 0.588 -0.656
283 1HZ LYS 57 1HZ LYS 57 -12.896 1.622 1.383
284 2HZ LYS 57 2HZ LYS 57 -11.824 0.500 2.056
285 3HZ LYS 57 3HZ LYS 57 -13.446 0.080 1.819
286 H ASP 58 H ASP 58 -9.660 -3.052 -5.294
287 HA ASP 58 HA ASP 58 -12.069 -3.834 -6.576
288 1HB ASP 58 1HB ASP 58 -9.804 -2.638 -7.427
289 2HB ASP 58 2HB ASP 58 -9.473 -4.287 -7.949
290 H LYS 59 H LYS 59 -8.954 -5.508 -6.189
291 HA LYS 59 HA LYS 59 -10.204 -7.990 -5.559
292 1HB LYS 59 1HB LYS 59 -9.898 -7.420 -8.284
293 2HB LYS 59 2HB LYS 59 -8.582 -8.508 -7.873
294 1HG LYS 59 1HG LYS 59 -10.004 -10.236 -7.317
295 2HG LYS 59 2HG LYS 59 -11.359 -9.157 -7.006
296 1HD LYS 59 1HD LYS 59 -11.812 -8.886 -9.282
297 2HD LYS 59 2HD LYS 59 -10.213 -9.463 -9.760
298 1HE LYS 59 1HE LYS 59 -10.756 -11.692 -9.335
299 2HE LYS 59 2HE LYS 59 -12.131 -11.261 -8.320
300 1HZ LYS 59 1HZ LYS 59 -12.543 -12.126 -10.693
301 2HZ LYS 59 2HZ LYS 59 -12.129 -10.559 -11.181
302 3HZ LYS 59 3HZ LYS 59 -13.442 -10.802 -10.143
303 H GLU 60 H GLU 60 -8.708 -7.124 -3.863
304 HA GLU 60 HA GLU 60 -5.884 -7.638 -4.344
305 1HB GLU 60 1HB GLU 60 -5.541 -6.739 -2.081
306 2HB GLU 60 2HB GLU 60 -6.403 -5.622 -3.121
307 1HG GLU 60 1HG GLU 60 -8.417 -5.942 -1.995
308 2HG GLU 60 2HG GLU 60 -7.861 -7.439 -1.249
309 H ASP 61 H ASP 61 -8.566 -8.877 -2.425
310 HA ASP 61 HA ASP 61 -6.823 -11.035 -1.460
311 1HB ASP 61 1HB ASP 61 -8.513 -9.470 -0.019
312 2HB ASP 61 2HB ASP 61 -9.571 -10.828 -0.389
313 H ARG 62 H ARG 62 -7.505 -11.160 -4.069
314 HA ARG 62 HA ARG 62 -9.662 -13.135 -4.224
315 1HB ARG 62 1HB ARG 62 -9.465 -12.769 -6.692
316 2HB ARG 62 2HB ARG 62 -9.905 -11.326 -5.791
317 1HG ARG 62 1HG ARG 62 -8.039 -10.236 -6.382
318 2HG ARG 62 2HG ARG 62 -7.022 -11.666 -6.200
319 1HD ARG 62 1HD ARG 62 -7.484 -12.413 -8.359
320 2HD ARG 62 2HD ARG 62 -8.938 -11.430 -8.492
321 HE ARG 62 HE ARG 62 -6.436 -9.978 -8.278
322 1HH1 ARG 62 1HH1 ARG 62 -8.889 -11.300 -10.391
323 2HH1 ARG 62 2HH1 ARG 62 -8.461 -10.282 -11.723
324 1HH2 ARG 62 1HH2 ARG 62 -5.879 -8.640 -10.040
325 2HH2 ARG 62 2HH2 ARG 62 -6.756 -8.778 -11.526
326 H ARG 63 H ARG 63 -7.851 -13.627 -6.872
327 HA ARG 63 HA ARG 63 -6.467 -15.896 -5.676
328 1HB ARG 63 1HB ARG 63 -6.268 -16.719 -8.001
329 2HB ARG 63 2HB ARG 63 -7.938 -16.428 -7.540
330 1HG ARG 63 1HG ARG 63 -7.743 -14.193 -8.688
331 2HG ARG 63 2HG ARG 63 -6.198 -14.752 -9.329
332 1HD ARG 63 1HD ARG 63 -7.392 -15.573 -11.027
333 2HD ARG 63 2HD ARG 63 -7.882 -16.840 -9.904
334 HE ARG 63 HE ARG 63 -9.569 -14.572 -9.673
335 1HH1 ARG 63 1HH1 ARG 63 -8.905 -17.316 -11.723
336 2HH1 ARG 63 2HH1 ARG 63 -10.520 -17.401 -12.345
337 1HH2 ARG 63 1HH2 ARG 63 -11.697 -14.684 -10.489
338 2HH2 ARG 63 2HH2 ARG 63 -12.106 -15.908 -11.645
339 H ASP 64 H ASP 64 -5.960 -12.890 -7.350
340 HA ASP 64 HA ASP 64 -3.062 -13.382 -7.410
341 1HB ASP 64 1HB ASP 64 -4.291 -12.811 -9.564
342 2HB ASP 64 2HB ASP 64 -4.510 -11.198 -8.895
343 H ASP 65 H ASP 65 -3.839 -12.809 -4.922
344 HA ASP 65 HA ASP 65 -4.121 -10.112 -4.195
345 1HB ASP 65 1HB ASP 65 -2.602 -12.127 -2.536
346 2HB ASP 65 2HB ASP 65 -3.590 -10.779 -1.981
347 H ALA 66 H ALA 66 -1.293 -11.960 -5.086
348 HA ALA 66 HA ALA 66 0.728 -10.339 -4.060
349 1HB ALA 66 1HB ALA 66 0.530 -12.161 -6.389
350 2HB ALA 66 2HB ALA 66 1.631 -12.196 -5.011
351 3HB ALA 66 3HB ALA 66 1.897 -11.048 -6.323
352 H SER 67 H SER 67 -1.245 -9.993 -6.944
353 HA SER 67 HA SER 67 0.048 -7.895 -8.224
354 1HB SER 67 1HB SER 67 -1.951 -9.173 -9.056
355 2HB SER 67 2HB SER 67 -2.951 -8.209 -7.977
356 HG SER 67 HG SER 67 -2.867 -6.642 -9.365
357 H ARG 68 H ARG 68 -2.361 -7.867 -5.651
358 HA ARG 68 HA ARG 68 -2.675 -5.111 -5.345
359 1HB ARG 68 1HB ARG 68 -4.088 -6.702 -4.151
360 2HB ARG 68 2HB ARG 68 -2.700 -7.283 -3.233
361 1HG ARG 68 1HG ARG 68 -3.324 -4.392 -3.076
362 2HG ARG 68 2HG ARG 68 -4.410 -5.516 -2.268
363 1HD ARG 68 1HD ARG 68 -1.428 -5.413 -1.860
364 2HD ARG 68 2HD ARG 68 -2.624 -4.682 -0.792
365 HE ARG 68 HE ARG 68 -3.471 -7.184 -0.786
366 1HH1 ARG 68 1HH1 ARG 68 -0.213 -5.956 -0.518
367 2HH1 ARG 68 2HH1 ARG 68 0.345 -7.305 0.412
368 1HH2 ARG 68 1HH2 ARG 68 -2.737 -8.942 0.447
369 2HH2 ARG 68 2HH2 ARG 68 -1.086 -8.995 0.968
370 H GLU 69 H GLU 69 -0.622 -7.241 -3.378
371 HA GLU 69 HA GLU 69 0.866 -5.367 -2.045
372 1HB GLU 69 1HB GLU 69 0.986 -7.795 -1.647
373 2HB GLU 69 2HB GLU 69 1.841 -8.013 -3.170
374 1HG GLU 69 1HG GLU 69 3.774 -7.026 -2.348
375 2HG GLU 69 2HG GLU 69 2.916 -6.211 -1.050
376 H GLU 70 H GLU 70 1.537 -6.828 -5.208
377 HA GLU 70 HA GLU 70 3.875 -5.502 -5.857
378 1HB GLU 70 1HB GLU 70 2.497 -7.347 -7.110
379 2HB GLU 70 2HB GLU 70 1.763 -5.978 -7.933
380 1HG GLU 70 1HG GLU 70 3.519 -6.691 -9.311
381 2HG GLU 70 2HG GLU 70 4.105 -5.234 -8.509
382 H THR 71 H THR 71 0.574 -4.552 -6.878
383 HA THR 71 HA THR 71 1.201 -2.098 -7.991
384 HB THR 71 HB THR 71 -1.276 -2.870 -6.440
385 HG1 THR 71 HG1 THR 71 -1.387 -4.027 -8.222
386 1HG2 THR 71 1HG2 THR 71 -0.631 -0.391 -7.969
387 2HG2 THR 71 2HG2 THR 71 -1.466 -0.575 -6.426
388 3HG2 THR 71 3HG2 THR 71 -2.284 -1.010 -7.928
389 H ALA 72 H ALA 72 0.402 -2.813 -4.597
390 HA ALA 72 HA ALA 72 0.531 -0.247 -3.593
391 1HB ALA 72 1HB ALA 72 1.392 -1.472 -1.461
392 2HB ALA 72 2HB ALA 72 1.076 -2.930 -2.396
393 3HB ALA 72 3HB ALA 72 -0.231 -1.795 -2.057
394 H HIS 73 H HIS 73 3.141 -2.559 -4.139
395 HA HIS 73 HA HIS 73 5.277 -1.059 -3.114
396 1HB HIS 73 1HB HIS 73 5.108 -3.097 -5.327
397 2HB HIS 73 2HB HIS 73 6.614 -2.252 -5.013
398 HD2 HIS 73 HD2 HIS 73 4.401 -5.036 -3.433
399 HE1 HIS 73 HE1 HIS 73 7.972 -4.712 -1.170
400 HE2 HIS 73 HE2 HIS 73 5.811 -5.967 -1.480
401 H LYS 74 H LYS 74 3.831 -1.135 -6.342
402 HA LYS 74 HA LYS 74 5.436 0.774 -7.581
403 1HB LYS 74 1HB LYS 74 2.617 -0.161 -8.051
404 2HB LYS 74 2HB LYS 74 3.344 1.091 -9.049
405 1HG LYS 74 1HG LYS 74 4.243 -0.477 -10.307
406 2HG LYS 74 2HG LYS 74 5.211 -1.005 -8.935
407 1HD LYS 74 1HD LYS 74 4.145 -2.961 -9.241
408 2HD LYS 74 2HD LYS 74 2.824 -2.170 -8.384
409 1HE LYS 74 1HE LYS 74 2.210 -1.313 -10.796
410 2HE LYS 74 2HE LYS 74 3.144 -2.723 -11.295
411 1HZ LYS 74 1HZ LYS 74 0.619 -2.615 -9.782
412 2HZ LYS 74 2HZ LYS 74 1.639 -3.954 -9.621
413 3HZ LYS 74 3HZ LYS 74 1.014 -3.545 -11.139
414 H VAL 75 H VAL 75 2.346 1.154 -5.895
415 HA VAL 75 HA VAL 75 2.106 3.922 -6.299
416 HB VAL 75 HB VAL 75 1.025 2.298 -3.999
417 1HG1 VAL 75 1HG1 VAL 75 0.598 5.084 -4.946
418 2HG1 VAL 75 2HG1 VAL 75 0.616 4.440 -3.305
419 3HG1 VAL 75 3HG1 VAL 75 -0.797 4.195 -4.334
420 1HG2 VAL 75 1HG2 VAL 75 -0.150 1.256 -5.581
421 2HG2 VAL 75 2HG2 VAL 75 0.412 2.377 -6.826
422 3HG2 VAL 75 3HG2 VAL 75 -0.993 2.787 -5.836
423 H ALA 76 H ALA 76 3.113 2.179 -3.359
424 HA ALA 76 HA ALA 76 3.875 4.245 -1.770
425 1HB ALA 76 1HB ALA 76 5.781 2.563 -1.053
426 2HB ALA 76 2HB ALA 76 4.851 1.465 -2.072
427 3HB ALA 76 3HB ALA 76 4.083 2.254 -0.696
428 H TRP 77 H TRP 77 5.877 2.712 -4.239
429 HA TRP 77 HA TRP 77 8.178 4.253 -3.821
430 1HB TRP 77 1HB TRP 77 7.152 2.571 -6.025
431 2HB TRP 77 2HB TRP 77 8.362 3.772 -6.475
432 HD1 TRP 77 HD1 TRP 77 8.119 0.361 -5.269
433 HE1 TRP 77 HE1 TRP 77 10.356 -0.469 -4.298
434 HE3 TRP 77 HE3 TRP 77 10.507 4.844 -4.851
435 HZ2 TRP 77 HZ2 TRP 77 12.809 0.647 -3.457
436 HZ3 TRP 77 HZ3 TRP 77 12.796 4.884 -3.947
437 HH2 TRP 77 HH2 TRP 77 13.922 2.827 -3.264
438 H ALA 78 H ALA 78 5.321 4.847 -5.826
439 HA ALA 78 HA ALA 78 6.126 7.128 -7.170
440 1HB ALA 78 1HB ALA 78 3.626 5.860 -6.552
441 2HB ALA 78 2HB ALA 78 4.032 6.919 -7.899
442 3HB ALA 78 3HB ALA 78 3.465 7.607 -6.378
443 H ALA 79 H ALA 79 4.804 6.815 -3.897
444 HA ALA 79 HA ALA 79 4.826 9.546 -3.215
445 1HB ALA 79 1HB ALA 79 3.718 8.630 -1.510
446 2HB ALA 79 2HB ALA 79 5.266 8.066 -0.883
447 3HB ALA 79 3HB ALA 79 4.307 7.020 -1.928
448 H VAL 80 H VAL 80 7.121 6.908 -2.694
449 HA VAL 80 HA VAL 80 9.094 8.343 -1.359
450 HB VAL 80 HB VAL 80 9.405 5.947 -3.190
451 1HG1 VAL 80 1HG1 VAL 80 11.589 5.979 -2.759
452 2HG1 VAL 80 2HG1 VAL 80 11.300 6.168 -1.029
453 3HG1 VAL 80 3HG1 VAL 80 11.375 7.585 -2.068
454 1HG2 VAL 80 1HG2 VAL 80 9.166 6.082 -0.183
455 2HG2 VAL 80 2HG2 VAL 80 9.255 4.637 -1.185
456 3HG2 VAL 80 3HG2 VAL 80 7.838 5.679 -1.272
457 H LYS 81 H LYS 81 8.720 7.709 -4.872
458 HA LYS 81 HA LYS 81 11.010 9.165 -5.630
459 1HB LYS 81 1HB LYS 81 8.506 8.395 -7.129
460 2HB LYS 81 2HB LYS 81 9.854 9.231 -7.890
461 1HG LYS 81 1HG LYS 81 11.322 7.391 -7.420
462 2HG LYS 81 2HG LYS 81 10.065 6.572 -6.499
463 1HD LYS 81 1HD LYS 81 8.708 6.674 -8.685
464 2HD LYS 81 2HD LYS 81 10.256 7.024 -9.457
465 1HE LYS 81 1HE LYS 81 10.767 4.855 -7.785
466 2HE LYS 81 2HE LYS 81 9.195 4.508 -8.499
467 1HZ LYS 81 1HZ LYS 81 11.698 4.205 -9.665
468 2HZ LYS 81 2HZ LYS 81 10.939 5.467 -10.493
469 3HZ LYS 81 3HZ LYS 81 10.187 3.955 -10.383
470 H HIS 82 H HIS 82 7.980 10.175 -4.473
471 HA HIS 82 HA HIS 82 8.010 12.766 -5.774
472 1HB HIS 82 1HB HIS 82 5.960 11.276 -4.914
473 2HB HIS 82 2HB HIS 82 6.229 12.217 -3.451
474 HD2 HIS 82 HD2 HIS 82 4.373 14.177 -3.512
475 HE1 HIS 82 HE1 HIS 82 4.744 15.231 -7.605
476 HE2 HIS 82 HE2 HIS 82 3.556 15.705 -5.434
477 H GLU 83 H GLU 83 8.287 11.513 -2.463
478 HA GLU 83 HA GLU 83 9.256 14.089 -1.518
479 1HB GLU 83 1HB GLU 83 9.085 11.660 0.217
480 2HB GLU 83 2HB GLU 83 8.813 13.349 0.627
481 1HG GLU 83 1HG GLU 83 6.836 12.918 -1.170
482 2HG GLU 83 2HG GLU 83 6.961 11.334 -0.406
483 H TYR 84 H TYR 84 10.534 11.205 -2.713
484 HA TYR 84 HA TYR 84 13.197 11.977 -1.763
485 1HB TYR 84 1HB TYR 84 11.942 9.245 -1.619
486 2HB TYR 84 2HB TYR 84 13.686 9.452 -1.617
487 HD1 TYR 84 HD1 TYR 84 14.827 10.170 0.342
488 HD2 TYR 84 HD2 TYR 84 10.579 10.241 0.213
489 HE1 TYR 84 HE1 TYR 84 14.769 10.657 2.751
490 HE2 TYR 84 HE2 TYR 84 10.513 10.730 2.623
491 HH TYR 84 HH TYR 84 12.391 10.215 4.670
492 H ALA 85 H ALA 85 14.896 11.547 -3.105
493 HA ALA 85 HA ALA 85 14.215 10.709 -5.854
494 1HB ALA 85 1HB ALA 85 15.486 13.154 -4.883
495 2HB ALA 85 2HB ALA 85 14.681 12.828 -6.417
496 3HB ALA 85 3HB ALA 85 16.367 12.362 -6.188
497 H LYS 86 H LYS 86 15.831 9.581 -7.030
498 HA LYS 86 HA LYS 86 17.783 8.235 -5.318
499 1HB LYS 86 1HB LYS 86 16.204 7.008 -6.967
500 2HB LYS 86 2HB LYS 86 17.301 7.580 -8.215
501 1HG LYS 86 1HG LYS 86 19.128 6.369 -7.257
502 2HG LYS 86 2HG LYS 86 18.166 5.950 -5.840
503 1HD LYS 86 1HD LYS 86 17.801 4.029 -6.948
504 2HD LYS 86 2HD LYS 86 16.593 4.976 -7.815
505 1HE LYS 86 1HE LYS 86 17.720 4.810 -9.729
506 2HE LYS 86 2HE LYS 86 19.226 5.315 -8.966
507 1HZ LYS 86 1HZ LYS 86 18.626 2.688 -8.162
508 2HZ LYS 86 2HZ LYS 86 19.946 3.238 -9.065
509 3HZ LYS 86 3HZ LYS 86 18.524 2.768 -9.849
510 H GLY 87 H GLY 87 19.889 8.787 -5.339
511 1HA GLY 87 1HA GLY 87 20.749 10.930 -7.054
512 2HA GLY 87 2HA GLY 87 21.722 10.099 -5.848
513 H ASP 88 H ASP 88 23.373 10.354 -7.663
514 HA ASP 88 HA ASP 88 23.072 8.857 -10.029
515 1HB ASP 88 1HB ASP 88 25.587 9.103 -10.157
516 2HB ASP 88 2HB ASP 88 24.680 10.607 -10.011
517 H ASP 89 H ASP 89 22.549 7.353 -7.446
518 HA ASP 89 HA ASP 89 24.125 5.017 -8.159
519 1HB ASP 89 1HB ASP 89 23.720 5.886 -5.287
520 2HB ASP 89 2HB ASP 89 24.650 4.505 -5.859
521 H ASP 90 H ASP 90 23.014 3.441 -6.023
522 HA ASP 90 HA ASP 90 20.233 3.359 -6.960
523 1HB ASP 90 1HB ASP 90 22.168 1.286 -6.032
524 2HB ASP 90 2HB ASP 90 20.458 1.009 -5.710
525 H LYS 91 H LYS 91 20.973 5.262 -5.051
526 HA LYS 91 HA LYS 91 19.439 4.318 -2.732
527 1HB LYS 91 1HB LYS 91 22.042 5.677 -2.859
528 2HB LYS 91 2HB LYS 91 20.941 6.276 -1.645
529 1HG LYS 91 1HG LYS 91 20.740 4.015 -0.736
530 2HG LYS 91 2HG LYS 91 21.852 3.433 -1.979
531 1HD LYS 91 1HD LYS 91 22.490 5.481 0.155
532 2HD LYS 91 2HD LYS 91 22.999 3.771 0.162
533 1HE LYS 91 1HE LYS 91 23.923 4.507 -2.246
534 2HE LYS 91 2HE LYS 91 24.007 6.066 -1.427
535 1HZ LYS 91 1HZ LYS 91 25.311 5.000 0.332
536 2HZ LYS 91 2HZ LYS 91 26.072 4.880 -1.173
537 3HZ LYS 91 3HZ LYS 91 25.276 3.538 -0.519
538 H TRP 92 H TRP 92 18.271 6.007 -1.605
539 HA TRP 92 HA TRP 92 17.592 8.240 -3.391
540 1HB TRP 92 1HB TRP 92 15.735 6.811 -1.491
541 2HB TRP 92 2HB TRP 92 15.298 8.103 -2.602
542 HD1 TRP 92 HD1 TRP 92 16.715 4.500 -2.796
543 HE1 TRP 92 HE1 TRP 92 15.780 3.391 -4.924
544 HE3 TRP 92 HE3 TRP 92 14.132 8.469 -4.696
545 HZ2 TRP 92 HZ2 TRP 92 14.159 4.111 -7.120
546 HZ3 TRP 92 HZ3 TRP 92 12.920 8.184 -6.814
547 HH2 TRP 92 HH2 TRP 92 12.931 6.048 -8.002
548 H HIS 93 H HIS 93 16.903 10.200 -2.478
549 HA HIS 93 HA HIS 93 17.411 10.635 0.372
550 1HB HIS 93 1HB HIS 93 18.576 12.815 -0.267
551 2HB HIS 93 2HB HIS 93 19.496 11.337 -0.535
552 HD2 HIS 93 HD2 HIS 93 19.170 10.466 -3.411
553 HE1 HIS 93 HE1 HIS 93 19.069 14.532 -4.630
554 HE2 HIS 93 HE2 HIS 93 19.450 12.148 -5.358
555 H LYS 94 H LYS 94 16.021 12.172 1.280
556 HA LYS 94 HA LYS 94 13.606 12.575 0.000
557 1HB LYS 94 1HB LYS 94 14.213 12.844 2.519
558 2HB LYS 94 2HB LYS 94 14.427 14.535 2.084
559 1HG LYS 94 1HG LYS 94 12.138 14.564 1.154
560 2HG LYS 94 2HG LYS 94 11.929 12.902 1.688
561 1HD LYS 94 1HD LYS 94 12.565 13.792 4.023
562 2HD LYS 94 2HD LYS 94 12.214 15.382 3.343
563 1HE LYS 94 1HE LYS 94 9.981 14.315 2.595
564 2HE LYS 94 2HE LYS 94 10.365 13.062 3.773
565 1HZ LYS 94 1HZ LYS 94 10.415 14.683 5.509
566 2HZ LYS 94 2HZ LYS 94 8.963 14.873 4.665
567 3HZ LYS 94 3HZ LYS 94 10.235 15.959 4.413
568 H LYS 95 H LYS 95 12.856 13.820 -1.432
569 HA LYS 95 HA LYS 95 14.392 15.994 -2.517
570 1HB LYS 95 1HB LYS 95 12.078 14.369 -3.333
571 2HB LYS 95 2HB LYS 95 12.156 16.014 -3.933
572 1HG LYS 95 1HG LYS 95 14.599 14.379 -4.134
573 2HG LYS 95 2HG LYS 95 13.266 13.999 -5.229
574 1HD LYS 95 1HD LYS 95 13.873 16.853 -4.997
575 2HD LYS 95 2HD LYS 95 15.187 15.888 -5.674
576 1HE LYS 95 1HE LYS 95 13.182 14.851 -7.076
577 2HE LYS 95 2HE LYS 95 12.473 16.433 -6.751
578 1HZ LYS 95 1HZ LYS 95 14.850 15.751 -8.331
579 2HZ LYS 95 2HZ LYS 95 14.787 17.258 -7.568
580 3HZ LYS 95 3HZ LYS 95 13.595 16.830 -8.687
581 H SER 96 H SER 96 11.545 15.429 -0.651
582 HA SER 96 HA SER 96 11.004 18.320 -0.497
583 1HB SER 96 1HB SER 96 9.254 16.284 -1.173
584 2HB SER 96 2HB SER 96 8.875 16.604 0.518
585 HG SER 96 HG SER 96 8.979 18.530 -1.564
Start of MODEL 15
1 HA PRO 22 HA PRO 22 1.274 -7.530 4.719
2 1HB PRO 22 1HB PRO 22 2.679 -5.872 2.734
3 2HB PRO 22 2HB PRO 22 2.098 -7.532 2.599
4 1HG PRO 22 1HG PRO 22 0.899 -5.538 1.285
5 2HG PRO 22 2HG PRO 22 -0.032 -6.876 1.981
6 1HD PRO 22 1HD PRO 22 0.384 -4.122 3.069
7 2HD PRO 22 2HD PRO 22 -1.106 -5.075 2.971
8 H TYR 23 H TYR 23 1.799 -4.107 5.019
9 HA TYR 23 HA TYR 23 4.310 -4.630 6.459
10 1HB TYR 23 1HB TYR 23 3.522 -2.264 4.762
11 2HB TYR 23 2HB TYR 23 4.891 -2.231 5.871
12 HD1 TYR 23 HD1 TYR 23 4.542 -2.149 2.649
13 HD2 TYR 23 HD2 TYR 23 5.958 -4.974 5.491
14 HE1 TYR 23 HE1 TYR 23 5.958 -3.176 0.917
15 HE2 TYR 23 HE2 TYR 23 7.375 -6.007 3.776
16 HH TYR 23 HH TYR 23 7.015 -5.854 0.764
17 H LYS 24 H LYS 24 4.708 -3.524 8.360
18 HA LYS 24 HA LYS 24 2.415 -2.103 9.531
19 1HB LYS 24 1HB LYS 24 3.153 -4.549 10.391
20 2HB LYS 24 2HB LYS 24 4.218 -3.560 11.377
21 1HG LYS 24 1HG LYS 24 2.093 -4.129 12.490
22 2HG LYS 24 2HG LYS 24 2.351 -2.392 12.327
23 1HD LYS 24 1HD LYS 24 0.940 -3.499 10.042
24 2HD LYS 24 2HD LYS 24 0.094 -3.813 11.558
25 1HE LYS 24 1HE LYS 24 1.062 -1.110 11.516
26 2HE LYS 24 2HE LYS 24 0.125 -1.437 10.061
27 1HZ LYS 24 1HZ LYS 24 -1.745 -1.376 11.227
28 2HZ LYS 24 2HZ LYS 24 -0.854 -0.850 12.565
29 3HZ LYS 24 3HZ LYS 24 -1.169 -2.498 12.356
30 H THR 25 H THR 25 5.704 -2.802 10.568
31 HA THR 25 HA THR 25 6.100 0.029 11.139
32 HB THR 25 HB THR 25 8.025 -0.641 12.430
33 HG1 THR 25 HG1 THR 25 8.127 -2.696 10.788
34 1HG2 THR 25 1HG2 THR 25 5.441 -1.812 12.907
35 2HG2 THR 25 2HG2 THR 25 6.596 -1.120 14.044
36 3HG2 THR 25 3HG2 THR 25 6.736 -2.812 13.566
37 H LYS 26 H LYS 26 8.106 1.115 10.483
38 HA LYS 26 HA LYS 26 8.585 0.981 7.749
39 1HB LYS 26 1HB LYS 26 10.233 2.103 10.014
40 2HB LYS 26 2HB LYS 26 10.747 2.244 8.340
41 1HG LYS 26 1HG LYS 26 8.620 3.408 7.844
42 2HG LYS 26 2HG LYS 26 8.240 3.362 9.567
43 1HD LYS 26 1HD LYS 26 10.901 4.409 9.026
44 2HD LYS 26 2HD LYS 26 9.626 5.360 8.261
45 1HE LYS 26 1HE LYS 26 8.895 6.160 10.222
46 2HE LYS 26 2HE LYS 26 9.011 4.587 11.009
47 1HZ LYS 26 1HZ LYS 26 11.374 4.937 11.307
48 2HZ LYS 26 2HZ LYS 26 10.508 6.216 11.997
49 3HZ LYS 26 3HZ LYS 26 11.287 6.429 10.513
50 H SER 27 H SER 27 10.211 -0.633 10.395
51 HA SER 27 HA SER 27 12.389 -1.649 8.898
52 1HB SER 27 1HB SER 27 11.542 -3.332 11.136
53 2HB SER 27 2HB SER 27 13.064 -2.480 10.883
54 HG SER 27 HG SER 27 12.345 -0.846 12.022
55 H ASP 28 H ASP 28 9.154 -2.315 8.595
56 HA ASP 28 HA ASP 28 9.433 -5.144 8.013
57 1HB ASP 28 1HB ASP 28 7.099 -3.244 8.064
58 2HB ASP 28 2HB ASP 28 6.952 -4.872 7.435
59 H LEU 29 H LEU 29 9.930 -2.287 6.318
60 HA LEU 29 HA LEU 29 8.793 -2.978 3.807
61 1HB LEU 29 1HB LEU 29 10.987 -1.053 4.565
62 2HB LEU 29 2HB LEU 29 10.338 -1.196 2.943
63 HG LEU 29 HG LEU 29 8.769 -0.381 5.386
64 1HD1 LEU 29 1HD1 LEU 29 10.582 1.140 4.090
65 2HD1 LEU 29 2HD1 LEU 29 9.122 1.771 4.864
66 3HD1 LEU 29 3HD1 LEU 29 9.136 1.462 3.127
67 1HD2 LEU 29 1HD2 LEU 29 7.076 0.261 3.611
68 2HD2 LEU 29 2HD2 LEU 29 7.268 -1.463 3.929
69 3HD2 LEU 29 3HD2 LEU 29 8.011 -0.740 2.500
70 HA PRO 30 HA PRO 30 11.733 -5.630 1.882
71 1HB PRO 30 1HB PRO 30 12.043 -3.803 -0.396
72 2HB PRO 30 2HB PRO 30 11.386 -5.432 -0.361
73 1HG PRO 30 1HG PRO 30 9.826 -3.307 -0.735
74 2HG PRO 30 2HG PRO 30 9.288 -4.700 0.199
75 1HD PRO 30 1HD PRO 30 10.293 -2.059 1.171
76 2HD PRO 30 2HD PRO 30 8.936 -3.036 1.763
77 H GLU 31 H GLU 31 13.875 -6.015 1.856
78 HA GLU 31 HA GLU 31 15.683 -4.214 2.949
79 1HB GLU 31 1HB GLU 31 17.455 -5.755 2.150
80 2HB GLU 31 2HB GLU 31 16.131 -6.585 2.956
81 1HG GLU 31 1HG GLU 31 15.581 -6.463 0.164
82 2HG GLU 31 2HG GLU 31 17.211 -7.084 0.404
83 H SER 32 H SER 32 15.101 -4.975 -0.482
84 HA SER 32 HA SER 32 17.102 -3.255 -1.505
85 1HB SER 32 1HB SER 32 15.632 -3.348 -3.603
86 2HB SER 32 2HB SER 32 16.312 -4.864 -3.020
87 HG SER 32 HG SER 32 13.869 -4.273 -1.926
88 H VAL 33 H VAL 33 14.252 -2.576 0.100
89 HA VAL 33 HA VAL 33 13.880 0.010 -1.208
90 HB VAL 33 HB VAL 33 12.202 -1.416 0.873
91 1HG1 VAL 33 1HG1 VAL 33 11.515 0.655 1.407
92 2HG1 VAL 33 2HG1 VAL 33 10.637 0.586 -0.121
93 3HG1 VAL 33 3HG1 VAL 33 12.215 1.368 -0.046
94 1HG2 VAL 33 1HG2 VAL 33 11.499 -0.756 -1.981
95 2HG2 VAL 33 2HG2 VAL 33 10.613 -1.781 -0.852
96 3HG2 VAL 33 3HG2 VAL 33 12.175 -2.306 -1.478
97 H LYS 34 H LYS 34 14.227 -1.393 2.037
98 HA LYS 34 HA LYS 34 14.671 1.054 3.378
99 1HB LYS 34 1HB LYS 34 15.447 -1.772 4.143
100 2HB LYS 34 2HB LYS 34 15.484 -0.387 5.229
101 1HG LYS 34 1HG LYS 34 13.075 -0.117 4.984
102 2HG LYS 34 2HG LYS 34 13.030 -1.487 3.874
103 1HD LYS 34 1HD LYS 34 13.951 -1.608 6.745
104 2HD LYS 34 2HD LYS 34 12.357 -2.097 6.169
105 1HE LYS 34 1HE LYS 34 13.803 -3.571 4.520
106 2HE LYS 34 2HE LYS 34 15.000 -3.411 5.803
107 1HZ LYS 34 1HZ LYS 34 12.935 -5.213 5.702
108 2HZ LYS 34 2HZ LYS 34 12.435 -4.074 6.846
109 3HZ LYS 34 3HZ LYS 34 13.911 -4.875 7.042
110 H HIS 35 H HIS 35 16.777 -1.158 1.669
111 HA HIS 35 HA HIS 35 19.227 -0.006 2.686
112 1HB HIS 35 1HB HIS 35 18.511 -2.370 1.271
113 2HB HIS 35 2HB HIS 35 19.709 -1.512 0.319
114 HD2 HIS 35 HD2 HIS 35 19.921 -1.554 4.231
115 HE1 HIS 35 HE1 HIS 35 23.117 -3.863 2.654
116 HE2 HIS 35 HE2 HIS 35 22.109 -2.844 4.728
117 H VAL 36 H VAL 36 17.211 1.625 1.164
118 HA VAL 36 HA VAL 36 19.106 3.069 -0.471
119 HB VAL 36 HB VAL 36 17.526 3.084 -2.440
120 1HG1 VAL 36 1HG1 VAL 36 19.640 1.575 -2.043
121 2HG1 VAL 36 2HG1 VAL 36 18.600 1.317 -3.444
122 3HG1 VAL 36 3HG1 VAL 36 18.448 0.277 -2.026
123 1HG2 VAL 36 1HG2 VAL 36 16.030 1.082 -2.612
124 2HG2 VAL 36 2HG2 VAL 36 15.513 2.283 -1.428
125 3HG2 VAL 36 3HG2 VAL 36 16.307 0.798 -0.891
126 H LEU 37 H LEU 37 15.959 2.719 1.027
127 HA LEU 37 HA LEU 37 15.325 5.524 0.546
128 1HB LEU 37 1HB LEU 37 13.783 3.144 1.045
129 2HB LEU 37 2HB LEU 37 13.380 4.388 2.207
130 HG LEU 37 HG LEU 37 12.451 5.764 0.644
131 1HD1 LEU 37 1HD1 LEU 37 14.020 6.292 -0.906
132 2HD1 LEU 37 2HD1 LEU 37 12.982 5.262 -1.898
133 3HD1 LEU 37 3HD1 LEU 37 14.460 4.608 -1.196
134 1HD2 LEU 37 1HD2 LEU 37 11.642 3.170 0.617
135 2HD2 LEU 37 2HD2 LEU 37 11.888 3.492 -1.100
136 3HD2 LEU 37 3HD2 LEU 37 10.796 4.506 -0.160
137 HA PRO 38 HA PRO 38 17.016 6.870 4.372
138 1HB PRO 38 1HB PRO 38 15.110 9.095 3.831
139 2HB PRO 38 2HB PRO 38 16.851 9.164 4.141
140 1HG PRO 38 1HG PRO 38 15.996 9.522 1.674
141 2HG PRO 38 2HG PRO 38 17.372 8.447 1.952
142 1HD PRO 38 1HD PRO 38 14.496 7.738 1.544
143 2HD PRO 38 2HD PRO 38 15.929 7.080 0.739
144 H SER 39 H SER 39 15.975 8.057 6.379
145 HA SER 39 HA SER 39 14.350 6.259 7.685
146 1HB SER 39 1HB SER 39 15.649 8.647 8.331
147 2HB SER 39 2HB SER 39 13.957 8.924 8.748
148 HG SER 39 HG SER 39 14.481 7.856 10.487
149 H HIS 40 H HIS 40 13.165 9.554 7.080
150 HA HIS 40 HA HIS 40 10.482 8.926 7.417
151 1HB HIS 40 1HB HIS 40 11.467 11.201 7.512
152 2HB HIS 40 2HB HIS 40 11.559 11.195 5.758
153 HD2 HIS 40 HD2 HIS 40 9.745 13.441 6.088
154 HE1 HIS 40 HE1 HIS 40 6.405 10.902 6.706
155 HE2 HIS 40 HE2 HIS 40 7.167 13.218 6.070
156 H ALA 41 H ALA 41 12.433 8.257 4.672
157 HA ALA 41 HA ALA 41 10.386 8.385 2.690
158 1HB ALA 41 1HB ALA 41 12.963 8.297 2.410
159 2HB ALA 41 2HB ALA 41 11.923 7.535 1.208
160 3HB ALA 41 3HB ALA 41 12.724 6.551 2.432
161 H GLN 42 H GLN 42 11.549 5.871 4.838
162 HA GLN 42 HA GLN 42 10.125 3.731 3.637
163 1HB GLN 42 1HB GLN 42 11.020 4.002 6.509
164 2HB GLN 42 2HB GLN 42 10.683 2.507 5.651
165 1HG GLN 42 1HG GLN 42 12.704 2.453 4.721
166 2HG GLN 42 2HG GLN 42 12.651 4.172 4.314
167 1HE2 GLN 42 1HE2 GLN 42 14.982 3.834 4.937
168 2HE2 GLN 42 2HE2 GLN 42 15.397 4.096 6.593
169 H ASP 43 H ASP 43 9.382 6.037 6.214
170 HA ASP 43 HA ASP 43 6.912 4.922 7.015
171 1HB ASP 43 1HB ASP 43 8.311 6.853 8.082
172 2HB ASP 43 2HB ASP 43 7.435 7.888 6.959
173 H ILE 44 H ILE 44 7.916 7.134 4.529
174 HA ILE 44 HA ILE 44 5.371 7.833 3.481
175 HB ILE 44 HB ILE 44 8.157 7.823 2.303
176 1HG1 ILE 44 1HG1 ILE 44 6.328 10.070 3.142
177 2HG1 ILE 44 2HG1 ILE 44 7.636 9.429 4.120
178 1HG2 ILE 44 1HG2 ILE 44 5.700 9.048 1.029
179 2HG2 ILE 44 2HG2 ILE 44 6.442 7.536 0.504
180 3HG2 ILE 44 3HG2 ILE 44 7.344 9.046 0.394
181 1HD1 ILE 44 1HD1 ILE 44 9.028 9.998 1.944
182 2HD1 ILE 44 2HD1 ILE 44 8.707 11.195 3.202
183 3HD1 ILE 44 3HD1 ILE 44 7.728 11.168 1.736
184 H TYR 45 H TYR 45 7.871 5.614 2.382
185 HA TYR 45 HA TYR 45 6.538 4.378 0.294
186 1HB TYR 45 1HB TYR 45 8.944 4.130 0.784
187 2HB TYR 45 2HB TYR 45 8.528 3.146 2.178
188 HD1 TYR 45 HD1 TYR 45 7.169 1.005 1.732
189 HD2 TYR 45 HD2 TYR 45 9.280 3.130 -1.277
190 HE1 TYR 45 HE1 TYR 45 7.151 -1.004 0.309
191 HE2 TYR 45 HE2 TYR 45 9.266 1.145 -2.708
192 HH TYR 45 HH TYR 45 7.576 -1.054 -2.801
193 H LYS 46 H LYS 46 6.544 3.612 3.731
194 HA LYS 46 HA LYS 46 4.990 1.242 3.477
195 1HB LYS 46 1HB LYS 46 6.488 1.650 5.377
196 2HB LYS 46 2HB LYS 46 5.481 3.000 5.885
197 1HG LYS 46 1HG LYS 46 3.631 1.488 6.306
198 2HG LYS 46 2HG LYS 46 4.602 0.122 5.748
199 1HD LYS 46 1HD LYS 46 4.912 -0.026 8.019
200 2HD LYS 46 2HD LYS 46 6.285 0.982 7.563
201 1HE LYS 46 1HE LYS 46 4.459 2.896 7.954
202 2HE LYS 46 2HE LYS 46 3.833 1.685 9.069
203 1HZ LYS 46 1HZ LYS 46 6.101 1.577 10.039
204 2HZ LYS 46 2HZ LYS 46 5.344 3.074 10.244
205 3HZ LYS 46 3HZ LYS 46 6.541 2.890 9.067
206 H GLU 47 H GLU 47 4.184 4.521 4.647
207 HA GLU 47 HA GLU 47 1.455 4.039 5.070
208 1HB GLU 47 1HB GLU 47 2.837 6.630 4.383
209 2HB GLU 47 2HB GLU 47 1.195 6.489 4.988
210 1HG GLU 47 1HG GLU 47 2.967 5.085 6.732
211 2HG GLU 47 2HG GLU 47 3.574 6.717 6.457
212 H ALA 48 H ALA 48 3.198 5.082 2.194
213 HA ALA 48 HA ALA 48 0.842 5.619 0.668
214 1HB ALA 48 1HB ALA 48 3.731 5.271 -0.062
215 2HB ALA 48 2HB ALA 48 2.776 6.753 -0.033
216 3HB ALA 48 3HB ALA 48 2.475 5.536 -1.274
217 H PHE 49 H PHE 49 3.033 2.896 1.032
218 HA PHE 49 HA PHE 49 1.984 1.237 -0.961
219 1HB PHE 49 1HB PHE 49 4.080 0.686 0.125
220 2HB PHE 49 2HB PHE 49 3.286 0.567 1.684
221 HD1 PHE 49 HD1 PHE 49 1.361 -1.245 1.804
222 HD2 PHE 49 HD2 PHE 49 4.494 -1.216 -1.075
223 HE1 PHE 49 HE1 PHE 49 0.987 -3.634 1.368
224 HE2 PHE 49 HE2 PHE 49 4.125 -3.604 -1.501
225 HZ PHE 49 HZ PHE 49 2.369 -4.829 -0.287
226 H ASN 50 H ASN 50 1.187 1.504 2.484
227 HA ASN 50 HA ASN 50 -0.821 -0.435 2.583
228 1HB ASN 50 1HB ASN 50 -0.083 1.938 4.226
229 2HB ASN 50 2HB ASN 50 -1.677 1.235 4.480
230 1HD2 ASN 50 1HD2 ASN 50 1.577 -0.058 3.876
231 2HD2 ASN 50 2HD2 ASN 50 1.579 -1.146 5.216
232 H SER 51 H SER 51 -0.947 2.989 1.737
233 HA SER 51 HA SER 51 -3.702 3.355 1.647
234 1HB SER 51 1HB SER 51 -1.625 4.983 1.205
235 2HB SER 51 2HB SER 51 -2.054 4.654 -0.472
236 HG SER 51 HG SER 51 -4.136 5.413 -0.037
237 H ALA 52 H ALA 52 -1.507 2.174 -0.877
238 HA ALA 52 HA ALA 52 -3.509 1.877 -2.872
239 1HB ALA 52 1HB ALA 52 -1.557 1.848 -3.952
240 2HB ALA 52 2HB ALA 52 -1.579 0.121 -3.612
241 3HB ALA 52 3HB ALA 52 -0.675 1.216 -2.565
242 H TRP 53 H TRP 53 -2.280 -0.182 -0.322
243 HA TRP 53 HA TRP 53 -3.345 -2.634 -1.174
244 1HB TRP 53 1HB TRP 53 -1.865 -2.821 0.619
245 2HB TRP 53 2HB TRP 53 -2.545 -1.449 1.470
246 HD1 TRP 53 HD1 TRP 53 -2.576 -5.159 1.382
247 HE1 TRP 53 HE1 TRP 53 -4.256 -6.100 3.068
248 HE3 TRP 53 HE3 TRP 53 -5.037 -0.837 2.583
249 HZ2 TRP 53 HZ2 TRP 53 -6.352 -5.154 4.694
250 HZ3 TRP 53 HZ3 TRP 53 -6.868 -0.947 4.216
251 HH2 TRP 53 HH2 TRP 53 -7.509 -3.061 5.254
252 H ASP 54 H ASP 54 -4.702 -0.034 0.835
253 HA ASP 54 HA ASP 54 -7.220 -1.205 1.271
254 1HB ASP 54 1HB ASP 54 -6.192 0.748 2.520
255 2HB ASP 54 2HB ASP 54 -6.621 1.757 1.143
256 H GLN 55 H GLN 55 -5.950 0.841 -1.289
257 HA GLN 55 HA GLN 55 -8.440 1.329 -2.560
258 1HB GLN 55 1HB GLN 55 -5.604 1.462 -3.576
259 2HB GLN 55 2HB GLN 55 -6.995 1.909 -4.555
260 1HG GLN 55 1HG GLN 55 -7.558 3.507 -2.611
261 2HG GLN 55 2HG GLN 55 -5.879 3.258 -2.133
262 1HE2 GLN 55 1HE2 GLN 55 -4.630 4.837 -2.790
263 2HE2 GLN 55 2HE2 GLN 55 -4.757 5.689 -4.288
264 H TYR 56 H TYR 56 -6.154 -1.217 -2.620
265 HA TYR 56 HA TYR 56 -7.074 -2.472 -5.010
266 1HB TYR 56 1HB TYR 56 -4.886 -2.750 -3.311
267 2HB TYR 56 2HB TYR 56 -5.770 -4.257 -3.128
268 HD1 TYR 56 HD1 TYR 56 -4.409 -1.985 -5.728
269 HD2 TYR 56 HD2 TYR 56 -5.510 -5.948 -4.662
270 HE1 TYR 56 HE1 TYR 56 -3.464 -2.815 -7.838
271 HE2 TYR 56 HE2 TYR 56 -4.571 -6.789 -6.759
272 HH TYR 56 HH TYR 56 -2.616 -4.869 -8.811
273 H LYS 57 H LYS 57 -9.372 -2.021 -3.861
274 HA LYS 57 HA LYS 57 -10.248 -4.143 -2.128
275 1HB LYS 57 1HB LYS 57 -11.290 -1.632 -3.113
276 2HB LYS 57 2HB LYS 57 -12.503 -2.899 -3.226
277 1HG LYS 57 1HG LYS 57 -10.970 -2.562 -0.689
278 2HG LYS 57 2HG LYS 57 -12.295 -1.458 -1.066
279 1HD LYS 57 1HD LYS 57 -13.827 -2.994 -0.545
280 2HD LYS 57 2HD LYS 57 -13.041 -4.213 -1.550
281 1HE LYS 57 1HE LYS 57 -11.565 -3.658 0.893
282 2HE LYS 57 2HE LYS 57 -13.208 -4.215 1.209
283 1HZ LYS 57 1HZ LYS 57 -11.222 -5.882 0.844
284 2HZ LYS 57 2HZ LYS 57 -11.644 -5.673 -0.781
285 3HZ LYS 57 3HZ LYS 57 -12.791 -6.245 0.323
286 H ASP 58 H ASP 58 -9.440 -4.197 -5.267
287 HA ASP 58 HA ASP 58 -11.685 -5.604 -6.377
288 1HB ASP 58 1HB ASP 58 -9.448 -4.271 -7.396
289 2HB ASP 58 2HB ASP 58 -9.201 -5.959 -7.830
290 H LYS 59 H LYS 59 -8.361 -6.500 -5.448
291 HA LYS 59 HA LYS 59 -9.242 -9.130 -4.657
292 1HB LYS 59 1HB LYS 59 -8.830 -9.048 -7.232
293 2HB LYS 59 2HB LYS 59 -7.135 -9.048 -6.762
294 1HG LYS 59 1HG LYS 59 -7.250 -11.254 -6.713
295 2HG LYS 59 2HG LYS 59 -8.243 -11.084 -5.266
296 1HD LYS 59 1HD LYS 59 -9.310 -11.130 -8.089
297 2HD LYS 59 2HD LYS 59 -9.274 -12.524 -7.013
298 1HE LYS 59 1HE LYS 59 -10.482 -10.297 -5.675
299 2HE LYS 59 2HE LYS 59 -11.271 -10.557 -7.230
300 1HZ LYS 59 1HZ LYS 59 -12.330 -12.288 -6.379
301 2HZ LYS 59 2HZ LYS 59 -11.612 -12.005 -4.875
302 3HZ LYS 59 3HZ LYS 59 -10.869 -13.044 -5.981
303 H GLU 60 H GLU 60 -8.114 -7.226 -3.095
304 HA GLU 60 HA GLU 60 -5.288 -7.386 -2.962
305 1HB GLU 60 1HB GLU 60 -5.600 -6.369 -0.662
306 2HB GLU 60 2HB GLU 60 -6.206 -5.446 -2.022
307 1HG GLU 60 1HG GLU 60 -8.469 -6.102 -1.522
308 2HG GLU 60 2HG GLU 60 -7.905 -7.178 -0.250
309 H ASP 61 H ASP 61 -7.735 -8.712 -0.725
310 HA ASP 61 HA ASP 61 -5.704 -10.644 0.158
311 1HB ASP 61 1HB ASP 61 -7.132 -10.904 2.189
312 2HB ASP 61 2HB ASP 61 -6.475 -9.284 1.982
313 H ARG 62 H ARG 62 -7.215 -11.016 -2.243
314 HA ARG 62 HA ARG 62 -9.001 -13.207 -1.468
315 1HB ARG 62 1HB ARG 62 -8.871 -12.026 -4.222
316 2HB ARG 62 2HB ARG 62 -10.188 -12.899 -3.463
317 1HG ARG 62 1HG ARG 62 -9.257 -10.215 -2.478
318 2HG ARG 62 2HG ARG 62 -10.470 -10.395 -3.747
319 1HD ARG 62 1HD ARG 62 -10.643 -11.433 -0.919
320 2HD ARG 62 2HD ARG 62 -11.586 -10.122 -1.625
321 HE ARG 62 HE ARG 62 -11.973 -12.492 -3.104
322 1HH1 ARG 62 1HH1 ARG 62 -12.817 -11.049 -0.041
323 2HH1 ARG 62 2HH1 ARG 62 -14.299 -11.933 0.102
324 1HH2 ARG 62 1HH2 ARG 62 -13.914 -13.650 -2.919
325 2HH2 ARG 62 2HH2 ARG 62 -14.922 -13.413 -1.529
326 H ARG 63 H ARG 63 -7.964 -13.296 -4.746
327 HA ARG 63 HA ARG 63 -6.429 -15.705 -4.138
328 1HB ARG 63 1HB ARG 63 -6.812 -16.393 -6.388
329 2HB ARG 63 2HB ARG 63 -8.338 -15.772 -5.776
330 1HG ARG 63 1HG ARG 63 -7.994 -13.688 -6.964
331 2HG ARG 63 2HG ARG 63 -6.428 -14.252 -7.537
332 1HD ARG 63 1HD ARG 63 -7.695 -14.772 -9.351
333 2HD ARG 63 2HD ARG 63 -7.876 -16.264 -8.435
334 HE ARG 63 HE ARG 63 -9.886 -14.126 -8.662
335 1HH1 ARG 63 1HH1 ARG 63 -9.041 -17.413 -7.809
336 2HH1 ARG 63 2HH1 ARG 63 -10.686 -17.924 -7.664
337 1HH2 ARG 63 1HH2 ARG 63 -12.045 -14.808 -8.467
338 2HH2 ARG 63 2HH2 ARG 63 -12.391 -16.452 -8.040
339 H ASP 64 H ASP 64 -6.159 -12.742 -6.090
340 HA ASP 64 HA ASP 64 -3.315 -13.278 -6.492
341 1HB ASP 64 1HB ASP 64 -4.797 -12.634 -8.408
342 2HB ASP 64 2HB ASP 64 -4.994 -11.054 -7.655
343 H ASP 65 H ASP 65 -3.365 -12.823 -3.988
344 HA ASP 65 HA ASP 65 -3.552 -10.191 -3.052
345 1HB ASP 65 1HB ASP 65 -1.668 -12.239 -1.896
346 2HB ASP 65 2HB ASP 65 -2.532 -10.954 -1.057
347 H ALA 66 H ALA 66 -0.951 -11.890 -4.651
348 HA ALA 66 HA ALA 66 1.186 -10.210 -3.998
349 1HB ALA 66 1HB ALA 66 0.667 -12.274 -5.955
350 2HB ALA 66 2HB ALA 66 2.167 -11.845 -5.134
351 3HB ALA 66 3HB ALA 66 1.692 -10.992 -6.602
352 H SER 67 H SER 67 -1.030 -10.041 -6.790
353 HA SER 67 HA SER 67 0.033 -7.860 -8.102
354 1HB SER 67 1HB SER 67 -1.964 -9.277 -8.769
355 2HB SER 67 2HB SER 67 -2.937 -8.242 -7.735
356 HG SER 67 HG SER 67 -2.966 -6.865 -9.306
357 H ARG 68 H ARG 68 -2.136 -7.949 -5.340
358 HA ARG 68 HA ARG 68 -2.571 -5.179 -5.087
359 1HB ARG 68 1HB ARG 68 -3.897 -6.788 -3.793
360 2HB ARG 68 2HB ARG 68 -2.446 -7.306 -2.931
361 1HG ARG 68 1HG ARG 68 -3.120 -4.425 -2.818
362 2HG ARG 68 2HG ARG 68 -4.152 -5.537 -1.924
363 1HD ARG 68 1HD ARG 68 -1.164 -5.659 -1.678
364 2HD ARG 68 2HD ARG 68 -2.113 -4.517 -0.729
365 HE ARG 68 HE ARG 68 -3.345 -6.499 0.130
366 1HH1 ARG 68 1HH1 ARG 68 -0.103 -6.887 -1.106
367 2HH1 ARG 68 2HH1 ARG 68 0.221 -8.292 -0.151
368 1HH2 ARG 68 1HH2 ARG 68 -2.916 -8.333 1.380
369 2HH2 ARG 68 2HH2 ARG 68 -1.372 -9.111 1.262
370 H GLU 69 H GLU 69 -0.285 -7.287 -3.349
371 HA GLU 69 HA GLU 69 1.206 -5.379 -2.045
372 1HB GLU 69 1HB GLU 69 1.449 -7.828 -1.759
373 2HB GLU 69 2HB GLU 69 2.241 -7.924 -3.326
374 1HG GLU 69 1HG GLU 69 4.090 -6.639 -2.512
375 2HG GLU 69 2HG GLU 69 3.256 -6.329 -0.996
376 H GLU 70 H GLU 70 1.707 -6.718 -5.298
377 HA GLU 70 HA GLU 70 3.923 -5.293 -6.097
378 1HB GLU 70 1HB GLU 70 2.477 -7.103 -7.318
379 2HB GLU 70 2HB GLU 70 1.606 -5.721 -7.964
380 1HG GLU 70 1HG GLU 70 3.229 -6.346 -9.562
381 2HG GLU 70 2HG GLU 70 3.785 -4.849 -8.818
382 H THR 71 H THR 71 0.549 -4.411 -6.825
383 HA THR 71 HA THR 71 1.013 -1.863 -7.812
384 HB THR 71 HB THR 71 -1.351 -2.806 -6.176
385 HG1 THR 71 HG1 THR 71 -1.133 -4.005 -8.038
386 1HG2 THR 71 1HG2 THR 71 -2.488 -1.009 -7.670
387 2HG2 THR 71 2HG2 THR 71 -0.866 -0.310 -7.731
388 3HG2 THR 71 3HG2 THR 71 -1.675 -0.533 -6.176
389 H ALA 72 H ALA 72 0.254 -2.756 -4.437
390 HA ALA 72 HA ALA 72 0.330 -0.237 -3.325
391 1HB ALA 72 1HB ALA 72 0.731 -2.967 -2.314
392 2HB ALA 72 2HB ALA 72 -0.271 -1.659 -1.680
393 3HB ALA 72 3HB ALA 72 1.454 -1.694 -1.337
394 H HIS 73 H HIS 73 2.988 -2.464 -3.950
395 HA HIS 73 HA HIS 73 5.102 -0.894 -2.983
396 1HB HIS 73 1HB HIS 73 4.939 -2.967 -5.167
397 2HB HIS 73 2HB HIS 73 6.445 -2.128 -4.824
398 HD2 HIS 73 HD2 HIS 73 4.572 -5.200 -3.693
399 HE1 HIS 73 HE1 HIS 73 7.386 -4.331 -0.639
400 HE2 HIS 73 HE2 HIS 73 5.670 -5.972 -1.485
401 H LYS 74 H LYS 74 3.694 -1.140 -6.227
402 HA LYS 74 HA LYS 74 5.232 0.760 -7.537
403 1HB LYS 74 1HB LYS 74 2.402 -0.190 -7.951
404 2HB LYS 74 2HB LYS 74 3.152 0.993 -9.018
405 1HG LYS 74 1HG LYS 74 4.301 -0.562 -10.098
406 2HG LYS 74 2HG LYS 74 4.847 -1.325 -8.607
407 1HD LYS 74 1HD LYS 74 3.598 -3.017 -9.502
408 2HD LYS 74 2HD LYS 74 2.360 -2.192 -8.565
409 1HE LYS 74 1HE LYS 74 2.224 -0.829 -10.903
410 2HE LYS 74 2HE LYS 74 2.687 -2.431 -11.476
411 1HZ LYS 74 1HZ LYS 74 0.280 -2.144 -11.394
412 2HZ LYS 74 2HZ LYS 74 0.356 -1.847 -9.731
413 3HZ LYS 74 3HZ LYS 74 0.786 -3.365 -10.339
414 H VAL 75 H VAL 75 2.317 1.152 -5.613
415 HA VAL 75 HA VAL 75 1.996 3.927 -6.172
416 HB VAL 75 HB VAL 75 0.915 2.300 -3.873
417 1HG1 VAL 75 1HG1 VAL 75 0.304 5.064 -4.884
418 2HG1 VAL 75 2HG1 VAL 75 0.667 4.546 -3.234
419 3HG1 VAL 75 3HG1 VAL 75 -0.881 4.127 -3.971
420 1HG2 VAL 75 1HG2 VAL 75 -0.173 1.261 -5.522
421 2HG2 VAL 75 2HG2 VAL 75 0.260 2.491 -6.707
422 3HG2 VAL 75 3HG2 VAL 75 -1.125 2.744 -5.643
423 H ALA 76 H ALA 76 3.139 2.163 -3.293
424 HA ALA 76 HA ALA 76 3.840 4.258 -1.686
425 1HB ALA 76 1HB ALA 76 4.148 2.305 -0.598
426 2HB ALA 76 2HB ALA 76 5.825 2.602 -1.057
427 3HB ALA 76 3HB ALA 76 4.831 1.495 -2.006
428 H TRP 77 H TRP 77 5.792 2.795 -4.229
429 HA TRP 77 HA TRP 77 8.091 4.359 -3.895
430 1HB TRP 77 1HB TRP 77 6.937 2.794 -6.144
431 2HB TRP 77 2HB TRP 77 8.186 3.968 -6.542
432 HD1 TRP 77 HD1 TRP 77 7.792 0.509 -5.527
433 HE1 TRP 77 HE1 TRP 77 10.015 -0.509 -4.719
434 HE3 TRP 77 HE3 TRP 77 10.460 4.812 -4.952
435 HZ2 TRP 77 HZ2 TRP 77 12.564 0.410 -3.931
436 HZ3 TRP 77 HZ3 TRP 77 12.781 4.660 -4.152
437 HH2 TRP 77 HH2 TRP 77 13.812 2.507 -3.656
438 H ALA 78 H ALA 78 5.185 4.924 -5.869
439 HA ALA 78 HA ALA 78 5.906 7.268 -7.133
440 1HB ALA 78 1HB ALA 78 3.345 7.831 -6.724
441 2HB ALA 78 2HB ALA 78 3.308 6.142 -6.225
442 3HB ALA 78 3HB ALA 78 3.851 6.570 -7.846
443 H ALA 79 H ALA 79 4.749 6.797 -3.833
444 HA ALA 79 HA ALA 79 4.642 9.556 -3.140
445 1HB ALA 79 1HB ALA 79 4.949 8.359 -0.762
446 2HB ALA 79 2HB ALA 79 4.434 6.971 -1.717
447 3HB ALA 79 3HB ALA 79 3.411 8.404 -1.620
448 H VAL 80 H VAL 80 6.984 6.957 -2.740
449 HA VAL 80 HA VAL 80 8.928 8.398 -1.355
450 HB VAL 80 HB VAL 80 9.206 6.001 -3.193
451 1HG1 VAL 80 1HG1 VAL 80 11.188 7.656 -1.828
452 2HG1 VAL 80 2HG1 VAL 80 11.403 6.448 -3.092
453 3HG1 VAL 80 3HG1 VAL 80 11.289 5.954 -1.405
454 1HG2 VAL 80 1HG2 VAL 80 8.860 4.700 -1.350
455 2HG2 VAL 80 2HG2 VAL 80 7.852 6.080 -0.914
456 3HG2 VAL 80 3HG2 VAL 80 9.471 5.918 -0.231
457 H LYS 81 H LYS 81 8.549 7.841 -4.881
458 HA LYS 81 HA LYS 81 10.830 9.348 -5.595
459 1HB LYS 81 1HB LYS 81 8.361 8.641 -7.189
460 2HB LYS 81 2HB LYS 81 9.826 9.335 -7.867
461 1HG LYS 81 1HG LYS 81 11.020 7.302 -6.866
462 2HG LYS 81 2HG LYS 81 9.404 6.611 -6.705
463 1HD LYS 81 1HD LYS 81 9.183 7.307 -9.219
464 2HD LYS 81 2HD LYS 81 10.947 7.287 -9.172
465 1HE LYS 81 1HE LYS 81 10.613 4.951 -8.067
466 2HE LYS 81 2HE LYS 81 9.012 5.039 -8.800
467 1HZ LYS 81 1HZ LYS 81 11.164 4.080 -10.043
468 2HZ LYS 81 2HZ LYS 81 11.227 5.691 -10.556
469 3HZ LYS 81 3HZ LYS 81 9.845 4.764 -10.853
470 H HIS 82 H HIS 82 7.826 10.289 -4.406
471 HA HIS 82 HA HIS 82 7.733 12.862 -5.751
472 1HB HIS 82 1HB HIS 82 5.758 11.304 -4.789
473 2HB HIS 82 2HB HIS 82 6.013 12.337 -3.388
474 HD2 HIS 82 HD2 HIS 82 4.738 14.732 -3.529
475 HE1 HIS 82 HE1 HIS 82 3.846 14.657 -7.679
476 HE2 HIS 82 HE2 HIS 82 3.470 15.847 -5.490
477 H GLU 83 H GLU 83 8.299 11.580 -2.511
478 HA GLU 83 HA GLU 83 9.180 14.215 -1.588
479 1HB GLU 83 1HB GLU 83 9.089 11.890 0.255
480 2HB GLU 83 2HB GLU 83 8.646 13.567 0.535
481 1HG GLU 83 1HG GLU 83 6.729 12.899 -1.199
482 2HG GLU 83 2HG GLU 83 7.027 11.319 -0.480
483 H TYR 84 H TYR 84 10.435 11.305 -2.717
484 HA TYR 84 HA TYR 84 13.108 12.034 -1.737
485 1HB TYR 84 1HB TYR 84 11.755 9.361 -1.611
486 2HB TYR 84 2HB TYR 84 13.508 9.470 -1.674
487 HD1 TYR 84 HD1 TYR 84 14.765 10.214 0.214
488 HD2 TYR 84 HD2 TYR 84 10.518 10.284 0.314
489 HE1 TYR 84 HE1 TYR 84 14.837 10.627 2.636
490 HE2 TYR 84 HE2 TYR 84 10.582 10.690 2.741
491 HH TYR 84 HH TYR 84 13.635 10.735 4.522
492 H ALA 85 H ALA 85 14.838 11.578 -3.048
493 HA ALA 85 HA ALA 85 14.213 10.737 -5.807
494 1HB ALA 85 1HB ALA 85 14.690 12.907 -6.261
495 2HB ALA 85 2HB ALA 85 16.352 12.314 -6.197
496 3HB ALA 85 3HB ALA 85 15.647 13.119 -4.792
497 H LYS 86 H LYS 86 15.814 9.502 -6.899
498 HA LYS 86 HA LYS 86 17.730 8.221 -5.082
499 1HB LYS 86 1HB LYS 86 16.074 6.830 -6.426
500 2HB LYS 86 2HB LYS 86 16.998 7.272 -7.847
501 1HG LYS 86 1HG LYS 86 18.969 6.206 -6.926
502 2HG LYS 86 2HG LYS 86 18.088 5.817 -5.446
503 1HD LYS 86 1HD LYS 86 18.030 3.839 -6.692
504 2HD LYS 86 2HD LYS 86 16.448 4.572 -6.967
505 1HE LYS 86 1HE LYS 86 18.117 5.619 -8.953
506 2HE LYS 86 2HE LYS 86 18.527 3.908 -8.855
507 1HZ LYS 86 1HZ LYS 86 15.778 4.014 -8.773
508 2HZ LYS 86 2HZ LYS 86 16.735 3.532 -10.081
509 3HZ LYS 86 3HZ LYS 86 16.217 5.137 -9.959
510 H GLY 87 H GLY 87 19.799 8.834 -5.180
511 1HA GLY 87 1HA GLY 87 20.743 10.492 -7.326
512 2HA GLY 87 2HA GLY 87 21.683 9.923 -5.955
513 H ASP 88 H ASP 88 23.392 9.616 -7.598
514 HA ASP 88 HA ASP 88 22.963 7.377 -9.415
515 1HB ASP 88 1HB ASP 88 25.322 7.955 -10.162
516 2HB ASP 88 2HB ASP 88 24.092 9.180 -10.452
517 H ASP 89 H ASP 89 22.930 6.733 -6.656
518 HA ASP 89 HA ASP 89 25.249 4.938 -6.547
519 1HB ASP 89 1HB ASP 89 24.271 6.760 -4.380
520 2HB ASP 89 2HB ASP 89 25.175 5.293 -4.043
521 H ASP 90 H ASP 90 22.102 5.008 -6.889
522 HA ASP 90 HA ASP 90 20.421 3.509 -6.647
523 1HB ASP 90 1HB ASP 90 22.373 1.871 -6.904
524 2HB ASP 90 2HB ASP 90 22.295 1.741 -5.163
525 H LYS 91 H LYS 91 20.974 5.572 -4.782
526 HA LYS 91 HA LYS 91 19.592 4.465 -2.443
527 1HB LYS 91 1HB LYS 91 21.887 6.429 -2.416
528 2HB LYS 91 2HB LYS 91 20.904 6.037 -1.025
529 1HG LYS 91 1HG LYS 91 21.624 3.627 -1.384
530 2HG LYS 91 2HG LYS 91 22.831 4.279 -2.496
531 1HD LYS 91 1HD LYS 91 22.547 5.295 0.325
532 2HD LYS 91 2HD LYS 91 23.552 3.878 -0.074
533 1HE LYS 91 1HE LYS 91 25.074 5.137 -1.258
534 2HE LYS 91 2HE LYS 91 23.909 6.407 -1.621
535 1HZ LYS 91 1HZ LYS 91 25.657 7.016 0.028
536 2HZ LYS 91 2HZ LYS 91 24.974 5.903 1.100
537 3HZ LYS 91 3HZ LYS 91 24.073 7.236 0.578
538 H TRP 92 H TRP 92 18.360 6.167 -1.261
539 HA TRP 92 HA TRP 92 17.570 8.291 -3.130
540 1HB TRP 92 1HB TRP 92 15.852 6.806 -1.148
541 2HB TRP 92 2HB TRP 92 15.309 8.161 -2.130
542 HD1 TRP 92 HD1 TRP 92 16.679 4.581 -2.610
543 HE1 TRP 92 HE1 TRP 92 15.659 3.613 -4.766
544 HE3 TRP 92 HE3 TRP 92 14.102 8.696 -4.192
545 HZ2 TRP 92 HZ2 TRP 92 13.979 4.484 -6.860
546 HZ3 TRP 92 HZ3 TRP 92 12.810 8.547 -6.282
547 HH2 TRP 92 HH2 TRP 92 12.751 6.484 -7.587
548 H HIS 93 H HIS 93 16.786 10.250 -2.284
549 HA HIS 93 HA HIS 93 17.384 10.880 0.506
550 1HB HIS 93 1HB HIS 93 18.497 13.016 -0.227
551 2HB HIS 93 2HB HIS 93 19.422 11.561 -0.585
552 HD2 HIS 93 HD2 HIS 93 18.893 10.715 -3.435
553 HE1 HIS 93 HE1 HIS 93 18.598 14.786 -4.597
554 HE2 HIS 93 HE2 HIS 93 18.807 12.405 -5.393
555 H LYS 94 H LYS 94 15.915 12.354 1.361
556 HA LYS 94 HA LYS 94 13.493 12.651 0.039
557 1HB LYS 94 1HB LYS 94 14.001 12.915 2.556
558 2HB LYS 94 2HB LYS 94 14.287 14.606 2.157
559 1HG LYS 94 1HG LYS 94 12.029 14.699 1.132
560 2HG LYS 94 2HG LYS 94 11.750 13.052 1.692
561 1HD LYS 94 1HD LYS 94 12.304 13.935 4.025
562 2HD LYS 94 2HD LYS 94 12.113 15.545 3.326
563 1HE LYS 94 1HE LYS 94 9.846 14.626 2.462
564 2HE LYS 94 2HE LYS 94 10.070 13.387 3.698
565 1HZ LYS 94 1HZ LYS 94 10.538 15.533 5.150
566 2HZ LYS 94 2HZ LYS 94 8.976 14.925 4.923
567 3HZ LYS 94 3HZ LYS 94 9.513 16.236 3.999
568 H LYS 95 H LYS 95 12.813 13.821 -1.491
569 HA LYS 95 HA LYS 95 14.317 16.002 -2.555
570 1HB LYS 95 1HB LYS 95 11.828 14.539 -3.317
571 2HB LYS 95 2HB LYS 95 12.189 16.086 -4.054
572 1HG LYS 95 1HG LYS 95 14.264 13.963 -4.029
573 2HG LYS 95 2HG LYS 95 12.946 13.880 -5.198
574 1HD LYS 95 1HD LYS 95 14.271 16.500 -4.953
575 2HD LYS 95 2HD LYS 95 15.265 15.203 -5.622
576 1HE LYS 95 1HE LYS 95 13.108 14.764 -7.072
577 2HE LYS 95 2HE LYS 95 12.787 16.457 -6.699
578 1HZ LYS 95 1HZ LYS 95 15.478 15.868 -7.603
579 2HZ LYS 95 2HZ LYS 95 14.452 17.150 -8.013
580 3HZ LYS 95 3HZ LYS 95 14.264 15.645 -8.761
581 H SER 96 H SER 96 10.832 15.923 -2.106
582 HA SER 96 HA SER 96 10.776 18.682 -1.286
583 1HB SER 96 1HB SER 96 8.958 16.901 -2.475
584 2HB SER 96 2HB SER 96 8.252 17.334 -0.919
585 HG SER 96 HG SER 96 8.228 19.440 -1.507
Start of MODEL 16
1 HA PRO 22 HA PRO 22 2.990 -7.532 4.594
2 1HB PRO 22 1HB PRO 22 4.125 -5.608 2.715
3 2HB PRO 22 2HB PRO 22 3.843 -7.333 2.506
4 1HG PRO 22 1HG PRO 22 2.405 -5.475 1.206
5 2HG PRO 22 2HG PRO 22 1.723 -7.030 1.694
6 1HD PRO 22 1HD PRO 22 1.428 -4.348 2.992
7 2HD PRO 22 2HD PRO 22 0.210 -5.606 2.714
8 H TYR 23 H TYR 23 2.549 -4.160 5.112
9 HA TYR 23 HA TYR 23 5.116 -3.994 6.549
10 1HB TYR 23 1HB TYR 23 3.505 -1.736 5.348
11 2HB TYR 23 2HB TYR 23 5.069 -1.591 6.143
12 HD1 TYR 23 HD1 TYR 23 4.071 -0.895 3.210
13 HD2 TYR 23 HD2 TYR 23 6.351 -4.053 4.932
14 HE1 TYR 23 HE1 TYR 23 5.187 -1.257 1.047
15 HE2 TYR 23 HE2 TYR 23 7.461 -4.426 2.781
16 HH TYR 23 HH TYR 23 6.558 -2.607 -0.118
17 H LYS 24 H LYS 24 5.085 -3.305 8.676
18 HA LYS 24 HA LYS 24 2.413 -2.795 9.795
19 1HB LYS 24 1HB LYS 24 4.746 -4.236 11.037
20 2HB LYS 24 2HB LYS 24 3.308 -3.760 11.925
21 1HG LYS 24 1HG LYS 24 3.284 -5.558 9.513
22 2HG LYS 24 2HG LYS 24 3.309 -6.129 11.182
23 1HD LYS 24 1HD LYS 24 1.195 -4.218 10.245
24 2HD LYS 24 2HD LYS 24 1.039 -5.952 9.956
25 1HE LYS 24 1HE LYS 24 1.613 -6.090 12.522
26 2HE LYS 24 2HE LYS 24 0.995 -4.438 12.522
27 1HZ LYS 24 1HZ LYS 24 -0.598 -6.437 12.914
28 2HZ LYS 24 2HZ LYS 24 -0.579 -6.554 11.226
29 3HZ LYS 24 3HZ LYS 24 -1.104 -5.129 11.970
30 H THR 25 H THR 25 5.887 -1.917 10.150
31 HA THR 25 HA THR 25 4.925 0.556 11.415
32 HB THR 25 HB THR 25 6.772 0.598 12.925
33 HG1 THR 25 HG1 THR 25 7.711 -1.646 11.482
34 1HG2 THR 25 1HG2 THR 25 5.023 -0.737 13.804
35 2HG2 THR 25 2HG2 THR 25 6.548 -1.550 14.167
36 3HG2 THR 25 3HG2 THR 25 5.528 -2.132 12.851
37 H LYS 26 H LYS 26 7.693 -0.912 9.740
38 HA LYS 26 HA LYS 26 7.890 0.855 7.649
39 1HB LYS 26 1HB LYS 26 8.684 2.148 10.044
40 2HB LYS 26 2HB LYS 26 10.150 1.828 9.141
41 1HG LYS 26 1HG LYS 26 9.485 3.155 7.371
42 2HG LYS 26 2HG LYS 26 7.786 3.094 7.826
43 1HD LYS 26 1HD LYS 26 8.304 5.193 8.562
44 2HD LYS 26 2HD LYS 26 8.701 4.272 10.011
45 1HE LYS 26 1HE LYS 26 11.063 4.165 9.163
46 2HE LYS 26 2HE LYS 26 10.588 5.307 7.908
47 1HZ LYS 26 1HZ LYS 26 9.702 6.509 10.146
48 2HZ LYS 26 2HZ LYS 26 11.180 6.842 9.395
49 3HZ LYS 26 3HZ LYS 26 11.119 5.768 10.699
50 H SER 27 H SER 27 10.004 -0.601 10.110
51 HA SER 27 HA SER 27 12.100 -1.315 8.412
52 1HB SER 27 1HB SER 27 12.360 -3.223 10.234
53 2HB SER 27 2HB SER 27 12.692 -1.536 10.626
54 HG SER 27 HG SER 27 10.991 -1.484 11.879
55 H ASP 28 H ASP 28 8.950 -2.625 8.712
56 HA ASP 28 HA ASP 28 9.450 -5.255 7.791
57 1HB ASP 28 1HB ASP 28 7.030 -3.507 7.984
58 2HB ASP 28 2HB ASP 28 6.940 -5.029 7.103
59 H LEU 29 H LEU 29 9.607 -2.254 6.239
60 HA LEU 29 HA LEU 29 8.693 -2.850 3.672
61 1HB LEU 29 1HB LEU 29 10.864 -0.993 4.617
62 2HB LEU 29 2HB LEU 29 10.299 -1.052 2.957
63 HG LEU 29 HG LEU 29 8.495 -0.445 5.294
64 1HD1 LEU 29 1HD1 LEU 29 10.540 1.159 4.487
65 2HD1 LEU 29 2HD1 LEU 29 9.043 1.717 5.239
66 3HD1 LEU 29 3HD1 LEU 29 9.206 1.734 3.485
67 1HD2 LEU 29 1HD2 LEU 29 7.882 -1.171 2.717
68 2HD2 LEU 29 2HD2 LEU 29 7.825 0.588 2.665
69 3HD2 LEU 29 3HD2 LEU 29 6.827 -0.289 3.821
70 HA PRO 30 HA PRO 30 11.671 -5.466 1.807
71 1HB PRO 30 1HB PRO 30 12.037 -3.639 -0.463
72 2HB PRO 30 2HB PRO 30 11.343 -5.253 -0.434
73 1HG PRO 30 1HG PRO 30 9.813 -3.106 -0.816
74 2HG PRO 30 2HG PRO 30 9.254 -4.480 0.140
75 1HD PRO 30 1HD PRO 30 10.376 -1.868 1.090
76 2HD PRO 30 2HD PRO 30 8.947 -2.751 1.659
77 H GLU 31 H GLU 31 13.774 -5.863 2.004
78 HA GLU 31 HA GLU 31 15.549 -4.106 3.153
79 1HB GLU 31 1HB GLU 31 17.351 -5.645 2.464
80 2HB GLU 31 2HB GLU 31 15.965 -6.488 3.138
81 1HG GLU 31 1HG GLU 31 16.049 -6.179 0.198
82 2HG GLU 31 2HG GLU 31 17.215 -7.275 0.929
83 H SER 32 H SER 32 15.153 -4.751 -0.329
84 HA SER 32 HA SER 32 17.261 -3.052 -1.168
85 1HB SER 32 1HB SER 32 16.000 -4.843 -2.512
86 2HB SER 32 2HB SER 32 14.793 -3.599 -2.805
87 HG SER 32 HG SER 32 16.710 -2.311 -3.528
88 H VAL 33 H VAL 33 14.333 -2.367 0.269
89 HA VAL 33 HA VAL 33 14.062 0.268 -0.960
90 HB VAL 33 HB VAL 33 12.269 -1.200 0.994
91 1HG1 VAL 33 1HG1 VAL 33 11.909 1.436 -0.430
92 2HG1 VAL 33 2HG1 VAL 33 12.002 1.171 1.310
93 3HG1 VAL 33 3HG1 VAL 33 10.617 0.571 0.400
94 1HG2 VAL 33 1HG2 VAL 33 10.923 -1.789 -0.802
95 2HG2 VAL 33 2HG2 VAL 33 12.553 -2.023 -1.434
96 3HG2 VAL 33 3HG2 VAL 33 11.633 -0.579 -1.867
97 H LYS 34 H LYS 34 14.186 -1.225 2.268
98 HA LYS 34 HA LYS 34 14.592 1.161 3.706
99 1HB LYS 34 1HB LYS 34 15.431 -1.658 4.412
100 2HB LYS 34 2HB LYS 34 15.274 -0.317 5.542
101 1HG LYS 34 1HG LYS 34 12.883 -0.211 5.098
102 2HG LYS 34 2HG LYS 34 13.034 -1.535 3.944
103 1HD LYS 34 1HD LYS 34 13.684 -1.685 6.884
104 2HD LYS 34 2HD LYS 34 12.216 -2.298 6.126
105 1HE LYS 34 1HE LYS 34 13.320 -4.041 5.090
106 2HE LYS 34 2HE LYS 34 14.872 -3.216 5.124
107 1HZ LYS 34 1HZ LYS 34 15.371 -4.172 7.041
108 2HZ LYS 34 2HZ LYS 34 13.997 -5.143 6.867
109 3HZ LYS 34 3HZ LYS 34 13.909 -3.705 7.754
110 H HIS 35 H HIS 35 16.772 -1.014 2.049
111 HA HIS 35 HA HIS 35 19.165 0.095 3.219
112 1HB HIS 35 1HB HIS 35 18.484 -2.207 1.663
113 2HB HIS 35 2HB HIS 35 19.815 -1.373 0.887
114 HD2 HIS 35 HD2 HIS 35 19.050 -2.710 4.539
115 HE1 HIS 35 HE1 HIS 35 23.203 -3.055 3.730
116 HE2 HIS 35 HE2 HIS 35 21.373 -3.430 5.425
117 H VAL 36 H VAL 36 17.212 1.701 1.502
118 HA VAL 36 HA VAL 36 19.250 3.161 0.012
119 HB VAL 36 HB VAL 36 17.706 3.262 -1.981
120 1HG1 VAL 36 1HG1 VAL 36 19.639 1.375 -1.315
121 2HG1 VAL 36 2HG1 VAL 36 19.031 1.750 -2.920
122 3HG1 VAL 36 3HG1 VAL 36 18.311 0.443 -1.995
123 1HG2 VAL 36 1HG2 VAL 36 15.655 2.529 -0.985
124 2HG2 VAL 36 2HG2 VAL 36 16.381 0.991 -0.510
125 3HG2 VAL 36 3HG2 VAL 36 16.118 1.357 -2.218
126 H LEU 37 H LEU 37 15.966 2.860 1.254
127 HA LEU 37 HA LEU 37 15.418 5.677 0.855
128 1HB LEU 37 1HB LEU 37 13.855 3.302 1.346
129 2HB LEU 37 2HB LEU 37 13.411 4.586 2.448
130 HG LEU 37 HG LEU 37 12.529 5.896 0.803
131 1HD1 LEU 37 1HD1 LEU 37 14.331 6.306 -0.601
132 2HD1 LEU 37 2HD1 LEU 37 13.141 5.534 -1.652
133 3HD1 LEU 37 3HD1 LEU 37 14.503 4.604 -1.033
134 1HD2 LEU 37 1HD2 LEU 37 11.882 3.857 -1.026
135 2HD2 LEU 37 2HD2 LEU 37 10.907 4.485 0.303
136 3HD2 LEU 37 3HD2 LEU 37 11.986 3.119 0.571
137 HA PRO 38 HA PRO 38 16.983 7.032 4.723
138 1HB PRO 38 1HB PRO 38 15.070 9.238 4.135
139 2HB PRO 38 2HB PRO 38 16.802 9.320 4.497
140 1HG PRO 38 1HG PRO 38 16.012 9.682 2.006
141 2HG PRO 38 2HG PRO 38 17.396 8.626 2.319
142 1HD PRO 38 1HD PRO 38 14.543 7.874 1.811
143 2HD PRO 38 2HD PRO 38 16.018 7.241 1.059
144 H SER 39 H SER 39 15.689 8.424 6.603
145 HA SER 39 HA SER 39 14.114 6.522 7.907
146 1HB SER 39 1HB SER 39 15.339 8.209 9.147
147 2HB SER 39 2HB SER 39 14.353 9.490 8.444
148 HG SER 39 HG SER 39 13.030 9.158 10.029
149 H HIS 40 H HIS 40 12.820 9.764 7.274
150 HA HIS 40 HA HIS 40 10.158 9.042 7.446
151 1HB HIS 40 1HB HIS 40 11.106 11.358 7.535
152 2HB HIS 40 2HB HIS 40 11.190 11.322 5.779
153 HD2 HIS 40 HD2 HIS 40 9.280 13.441 5.854
154 HE1 HIS 40 HE1 HIS 40 6.056 10.895 6.907
155 HE2 HIS 40 HE2 HIS 40 6.720 13.202 6.135
156 H ALA 41 H ALA 41 12.259 8.397 4.804
157 HA ALA 41 HA ALA 41 10.305 8.463 2.726
158 1HB ALA 41 1HB ALA 41 12.656 6.645 2.582
159 2HB ALA 41 2HB ALA 41 12.910 8.388 2.593
160 3HB ALA 41 3HB ALA 41 11.925 7.650 1.330
161 H GLN 42 H GLN 42 11.448 5.966 4.929
162 HA GLN 42 HA GLN 42 10.068 3.826 3.687
163 1HB GLN 42 1HB GLN 42 10.883 4.092 6.591
164 2HB GLN 42 2HB GLN 42 10.551 2.605 5.734
165 1HG GLN 42 1HG GLN 42 12.539 2.575 4.690
166 2HG GLN 42 2HG GLN 42 12.602 4.336 4.545
167 1HE2 GLN 42 1HE2 GLN 42 14.856 4.012 5.185
168 2HE2 GLN 42 2HE2 GLN 42 15.239 3.892 6.867
169 H ASP 43 H ASP 43 9.229 6.113 6.261
170 HA ASP 43 HA ASP 43 6.727 4.999 6.952
171 1HB ASP 43 1HB ASP 43 8.139 7.043 7.966
172 2HB ASP 43 2HB ASP 43 7.064 7.974 6.927
173 H ILE 44 H ILE 44 7.781 7.358 4.587
174 HA ILE 44 HA ILE 44 5.319 8.019 3.417
175 HB ILE 44 HB ILE 44 8.122 7.888 2.279
176 1HG1 ILE 44 1HG1 ILE 44 6.358 10.162 3.195
177 2HG1 ILE 44 2HG1 ILE 44 7.757 9.533 4.043
178 1HG2 ILE 44 1HG2 ILE 44 5.604 8.231 0.880
179 2HG2 ILE 44 2HG2 ILE 44 7.236 8.092 0.227
180 3HG2 ILE 44 3HG2 ILE 44 6.617 9.666 0.723
181 1HD1 ILE 44 1HD1 ILE 44 7.609 11.266 1.662
182 2HD1 ILE 44 2HD1 ILE 44 8.953 10.137 1.775
183 3HD1 ILE 44 3HD1 ILE 44 8.695 11.335 3.045
184 H TYR 45 H TYR 45 7.766 5.676 2.441
185 HA TYR 45 HA TYR 45 6.488 4.446 0.337
186 1HB TYR 45 1HB TYR 45 8.851 4.089 1.150
187 2HB TYR 45 2HB TYR 45 8.180 3.015 2.360
188 HD1 TYR 45 HD1 TYR 45 6.470 1.199 1.262
189 HD2 TYR 45 HD2 TYR 45 9.731 3.087 -0.696
190 HE1 TYR 45 HE1 TYR 45 6.561 -0.656 -0.347
191 HE2 TYR 45 HE2 TYR 45 9.834 1.237 -2.314
192 HH TYR 45 HH TYR 45 8.357 -1.688 -1.869
193 H LYS 46 H LYS 46 6.688 3.007 3.584
194 HA LYS 46 HA LYS 46 4.809 1.044 3.279
195 1HB LYS 46 1HB LYS 46 6.200 1.061 5.210
196 2HB LYS 46 2HB LYS 46 5.597 2.633 5.714
197 1HG LYS 46 1HG LYS 46 3.417 1.668 6.171
198 2HG LYS 46 2HG LYS 46 3.985 0.097 5.624
199 1HD LYS 46 1HD LYS 46 5.181 -0.280 7.518
200 2HD LYS 46 2HD LYS 46 5.571 1.429 7.736
201 1HE LYS 46 1HE LYS 46 4.064 0.565 9.484
202 2HE LYS 46 2HE LYS 46 3.346 1.873 8.550
203 1HZ LYS 46 1HZ LYS 46 2.239 -0.587 9.023
204 2HZ LYS 46 2HZ LYS 46 2.758 -0.677 7.415
205 3HZ LYS 46 3HZ LYS 46 1.703 0.555 7.894
206 H GLU 47 H GLU 47 4.196 4.291 4.645
207 HA GLU 47 HA GLU 47 1.460 3.963 5.067
208 1HB GLU 47 1HB GLU 47 3.051 6.445 4.473
209 2HB GLU 47 2HB GLU 47 1.351 6.463 4.912
210 1HG GLU 47 1HG GLU 47 2.361 4.965 6.913
211 2HG GLU 47 2HG GLU 47 3.721 6.030 6.579
212 H ALA 48 H ALA 48 3.218 4.927 2.192
213 HA ALA 48 HA ALA 48 0.869 5.592 0.697
214 1HB ALA 48 1HB ALA 48 3.754 5.229 0.008
215 2HB ALA 48 2HB ALA 48 2.753 6.677 -0.099
216 3HB ALA 48 3HB ALA 48 2.540 5.370 -1.264
217 H PHE 49 H PHE 49 2.948 2.779 1.021
218 HA PHE 49 HA PHE 49 1.775 1.175 -0.958
219 1HB PHE 49 1HB PHE 49 3.890 0.565 0.076
220 2HB PHE 49 2HB PHE 49 3.113 0.404 1.641
221 HD1 PHE 49 HD1 PHE 49 1.164 -1.384 1.728
222 HD2 PHE 49 HD2 PHE 49 4.220 -1.265 -1.229
223 HE1 PHE 49 HE1 PHE 49 0.730 -3.748 1.181
224 HE2 PHE 49 HE2 PHE 49 3.788 -3.618 -1.769
225 HZ PHE 49 HZ PHE 49 2.039 -4.867 -0.579
226 H ASN 50 H ASN 50 1.130 1.362 2.546
227 HA ASN 50 HA ASN 50 -0.912 -0.488 2.730
228 1HB ASN 50 1HB ASN 50 -0.077 1.897 4.268
229 2HB ASN 50 2HB ASN 50 -1.726 1.347 4.543
230 1HD2 ASN 50 1HD2 ASN 50 1.355 -0.312 3.957
231 2HD2 ASN 50 2HD2 ASN 50 1.277 -1.314 5.361
232 H SER 51 H SER 51 -1.115 2.957 1.894
233 HA SER 51 HA SER 51 -3.886 3.197 1.751
234 1HB SER 51 1HB SER 51 -1.873 4.929 1.375
235 2HB SER 51 2HB SER 51 -2.284 4.622 -0.310
236 HG SER 51 HG SER 51 -3.528 6.322 0.406
237 H ALA 52 H ALA 52 -1.576 2.273 -0.776
238 HA ALA 52 HA ALA 52 -3.565 1.834 -2.769
239 1HB ALA 52 1HB ALA 52 -0.792 1.941 -2.727
240 2HB ALA 52 2HB ALA 52 -1.818 1.603 -4.121
241 3HB ALA 52 3HB ALA 52 -1.168 0.276 -3.165
242 H TRP 53 H TRP 53 -2.133 -0.081 -0.242
243 HA TRP 53 HA TRP 53 -2.961 -2.629 -1.168
244 1HB TRP 53 1HB TRP 53 -1.268 -2.691 0.443
245 2HB TRP 53 2HB TRP 53 -2.042 -1.480 1.452
246 HD1 TRP 53 HD1 TRP 53 -1.863 -5.223 0.873
247 HE1 TRP 53 HE1 TRP 53 -3.137 -6.419 2.752
248 HE3 TRP 53 HE3 TRP 53 -4.094 -1.171 3.046
249 HZ2 TRP 53 HZ2 TRP 53 -4.871 -5.740 4.878
250 HZ3 TRP 53 HZ3 TRP 53 -5.546 -1.531 4.999
251 HH2 TRP 53 HH2 TRP 53 -5.926 -3.769 5.895
252 H ASP 54 H ASP 54 -4.333 -0.377 1.250
253 HA ASP 54 HA ASP 54 -6.715 -1.888 1.616
254 1HB ASP 54 1HB ASP 54 -5.857 -0.308 3.314
255 2HB ASP 54 2HB ASP 54 -6.177 1.031 2.215
256 H GLN 55 H GLN 55 -5.696 0.593 -0.595
257 HA GLN 55 HA GLN 55 -8.265 1.374 -1.497
258 1HB GLN 55 1HB GLN 55 -5.477 1.708 -2.491
259 2HB GLN 55 2HB GLN 55 -6.791 1.984 -3.625
260 1HG GLN 55 1HG GLN 55 -7.635 3.419 -1.493
261 2HG GLN 55 2HG GLN 55 -5.891 3.593 -1.349
262 1HE2 GLN 55 1HE2 GLN 55 -5.454 5.566 -2.064
263 2HE2 GLN 55 2HE2 GLN 55 -5.951 6.215 -3.585
264 H TYR 56 H TYR 56 -6.187 -1.255 -2.164
265 HA TYR 56 HA TYR 56 -7.326 -2.061 -4.639
266 1HB TYR 56 1HB TYR 56 -5.130 -2.806 -3.088
267 2HB TYR 56 2HB TYR 56 -6.155 -4.233 -3.111
268 HD1 TYR 56 HD1 TYR 56 -4.508 -1.756 -5.310
269 HD2 TYR 56 HD2 TYR 56 -6.206 -5.635 -4.971
270 HE1 TYR 56 HE1 TYR 56 -3.656 -2.316 -7.541
271 HE2 TYR 56 HE2 TYR 56 -5.369 -6.205 -7.205
272 HH TYR 56 HH TYR 56 -3.106 -4.238 -8.880
273 H LYS 57 H LYS 57 -9.524 -1.563 -3.282
274 HA LYS 57 HA LYS 57 -10.542 -3.878 -1.895
275 1HB LYS 57 1HB LYS 57 -11.283 -1.135 -2.169
276 2HB LYS 57 2HB LYS 57 -12.653 -2.125 -2.649
277 1HG LYS 57 1HG LYS 57 -11.288 -2.921 -0.161
278 2HG LYS 57 2HG LYS 57 -12.167 -1.393 -0.120
279 1HD LYS 57 1HD LYS 57 -13.325 -4.020 -1.044
280 2HD LYS 57 2HD LYS 57 -13.537 -3.345 0.573
281 1HE LYS 57 1HE LYS 57 -14.564 -2.294 -2.048
282 2HE LYS 57 2HE LYS 57 -15.483 -2.762 -0.618
283 1HZ LYS 57 1HZ LYS 57 -14.101 -0.274 -1.202
284 2HZ LYS 57 2HZ LYS 57 -13.973 -0.826 0.390
285 3HZ LYS 57 3HZ LYS 57 -15.495 -0.549 -0.288
286 H ASP 58 H ASP 58 -9.979 -3.264 -5.056
287 HA ASP 58 HA ASP 58 -12.381 -4.178 -6.279
288 1HB ASP 58 1HB ASP 58 -10.093 -2.942 -7.163
289 2HB ASP 58 2HB ASP 58 -9.883 -4.580 -7.775
290 H LYS 59 H LYS 59 -9.161 -5.690 -6.197
291 HA LYS 59 HA LYS 59 -10.334 -8.251 -5.510
292 1HB LYS 59 1HB LYS 59 -9.677 -7.526 -8.197
293 2HB LYS 59 2HB LYS 59 -8.574 -8.771 -7.645
294 1HG LYS 59 1HG LYS 59 -10.382 -10.251 -7.143
295 2HG LYS 59 2HG LYS 59 -11.562 -8.979 -7.455
296 1HD LYS 59 1HD LYS 59 -10.893 -8.918 -9.799
297 2HD LYS 59 2HD LYS 59 -9.680 -10.163 -9.496
298 1HE LYS 59 1HE LYS 59 -11.344 -11.789 -9.019
299 2HE LYS 59 2HE LYS 59 -12.612 -10.569 -8.958
300 1HZ LYS 59 1HZ LYS 59 -12.993 -11.052 -11.076
301 2HZ LYS 59 2HZ LYS 59 -11.591 -11.990 -11.203
302 3HZ LYS 59 3HZ LYS 59 -11.515 -10.321 -11.460
303 H GLU 60 H GLU 60 -8.976 -7.352 -3.677
304 HA GLU 60 HA GLU 60 -6.108 -7.707 -4.001
305 1HB GLU 60 1HB GLU 60 -5.950 -6.928 -1.667
306 2HB GLU 60 2HB GLU 60 -6.812 -5.801 -2.696
307 1HG GLU 60 1HG GLU 60 -8.759 -6.052 -1.579
308 2HG GLU 60 2HG GLU 60 -8.473 -7.755 -1.242
309 H ASP 61 H ASP 61 -8.816 -9.211 -2.319
310 HA ASP 61 HA ASP 61 -7.007 -11.368 -1.468
311 1HB ASP 61 1HB ASP 61 -8.429 -10.113 0.257
312 2HB ASP 61 2HB ASP 61 -9.813 -10.937 -0.453
313 H ARG 62 H ARG 62 -7.582 -11.394 -4.061
314 HA ARG 62 HA ARG 62 -9.663 -13.438 -4.363
315 1HB ARG 62 1HB ARG 62 -9.556 -12.887 -6.788
316 2HB ARG 62 2HB ARG 62 -10.021 -11.521 -5.789
317 1HG ARG 62 1HG ARG 62 -8.268 -10.311 -6.443
318 2HG ARG 62 2HG ARG 62 -7.149 -11.658 -6.232
319 1HD ARG 62 1HD ARG 62 -7.533 -12.469 -8.389
320 2HD ARG 62 2HD ARG 62 -9.038 -11.580 -8.554
321 HE ARG 62 HE ARG 62 -7.091 -9.661 -8.310
322 1HH1 ARG 62 1HH1 ARG 62 -7.686 -12.341 -10.463
323 2HH1 ARG 62 2HH1 ARG 62 -6.950 -11.572 -11.829
324 1HH2 ARG 62 1HH2 ARG 62 -6.133 -8.639 -10.116
325 2HH2 ARG 62 2HH2 ARG 62 -6.069 -9.474 -11.633
326 H ARG 63 H ARG 63 -7.922 -13.713 -7.048
327 HA ARG 63 HA ARG 63 -6.362 -15.939 -5.998
328 1HB ARG 63 1HB ARG 63 -6.154 -16.538 -8.447
329 2HB ARG 63 2HB ARG 63 -7.786 -16.580 -7.797
330 1HG ARG 63 1HG ARG 63 -8.382 -14.579 -8.886
331 2HG ARG 63 2HG ARG 63 -6.700 -14.191 -9.258
332 1HD ARG 63 1HD ARG 63 -6.847 -16.525 -10.516
333 2HD ARG 63 2HD ARG 63 -8.554 -16.098 -10.577
334 HE ARG 63 HE ARG 63 -6.517 -14.215 -11.549
335 1HH1 ARG 63 1HH1 ARG 63 -9.319 -16.226 -12.166
336 2HH1 ARG 63 2HH1 ARG 63 -9.609 -15.543 -13.729
337 1HH2 ARG 63 1HH2 ARG 63 -6.908 -13.334 -13.607
338 2HH2 ARG 63 2HH2 ARG 63 -8.236 -13.919 -14.553
339 H ASP 64 H ASP 64 -6.066 -12.842 -7.543
340 HA ASP 64 HA ASP 64 -3.160 -13.181 -7.782
341 1HB ASP 64 1HB ASP 64 -4.648 -12.508 -9.786
342 2HB ASP 64 2HB ASP 64 -4.717 -10.931 -9.010
343 H ASP 65 H ASP 65 -3.906 -12.799 -5.220
344 HA ASP 65 HA ASP 65 -4.245 -10.155 -4.344
345 1HB ASP 65 1HB ASP 65 -2.726 -12.342 -2.897
346 2HB ASP 65 2HB ASP 65 -3.486 -10.929 -2.173
347 H ALA 66 H ALA 66 -1.421 -11.888 -5.417
348 HA ALA 66 HA ALA 66 0.617 -10.299 -4.369
349 1HB ALA 66 1HB ALA 66 0.680 -12.468 -5.864
350 2HB ALA 66 2HB ALA 66 2.041 -11.341 -5.815
351 3HB ALA 66 3HB ALA 66 0.898 -11.287 -7.158
352 H SER 67 H SER 67 -1.361 -9.862 -7.264
353 HA SER 67 HA SER 67 -0.067 -7.695 -8.420
354 1HB SER 67 1HB SER 67 -2.065 -8.987 -9.309
355 2HB SER 67 2HB SER 67 -3.070 -7.978 -8.278
356 HG SER 67 HG SER 67 -2.821 -6.376 -9.622
357 H ARG 68 H ARG 68 -2.495 -7.809 -5.869
358 HA ARG 68 HA ARG 68 -2.851 -5.068 -5.463
359 1HB ARG 68 1HB ARG 68 -4.293 -6.672 -4.360
360 2HB ARG 68 2HB ARG 68 -2.926 -7.355 -3.482
361 1HG ARG 68 1HG ARG 68 -3.489 -4.469 -3.108
362 2HG ARG 68 2HG ARG 68 -4.602 -5.631 -2.385
363 1HD ARG 68 1HD ARG 68 -1.608 -5.651 -1.972
364 2HD ARG 68 2HD ARG 68 -2.767 -4.913 -0.866
365 HE ARG 68 HE ARG 68 -3.732 -7.379 -0.994
366 1HH1 ARG 68 1HH1 ARG 68 -0.425 -6.305 -0.610
367 2HH1 ARG 68 2HH1 ARG 68 0.044 -7.697 0.303
368 1HH2 ARG 68 1HH2 ARG 68 -3.108 -9.199 0.206
369 2HH2 ARG 68 2HH2 ARG 68 -1.472 -9.342 0.759
370 H GLU 69 H GLU 69 -0.798 -7.271 -3.565
371 HA GLU 69 HA GLU 69 0.643 -5.433 -2.127
372 1HB GLU 69 1HB GLU 69 0.790 -7.867 -1.800
373 2HB GLU 69 2HB GLU 69 1.658 -8.032 -3.322
374 1HG GLU 69 1HG GLU 69 3.588 -7.164 -2.455
375 2HG GLU 69 2HG GLU 69 2.742 -6.228 -1.235
376 H GLU 70 H GLU 70 1.376 -6.769 -5.325
377 HA GLU 70 HA GLU 70 3.730 -5.443 -5.890
378 1HB GLU 70 1HB GLU 70 2.607 -7.221 -7.275
379 2HB GLU 70 2HB GLU 70 1.513 -5.981 -7.867
380 1HG GLU 70 1HG GLU 70 2.983 -5.710 -9.509
381 2HG GLU 70 2HG GLU 70 3.958 -4.852 -8.314
382 H THR 71 H THR 71 0.467 -4.436 -6.922
383 HA THR 71 HA THR 71 1.118 -1.953 -7.935
384 HB THR 71 HB THR 71 -1.377 -2.831 -6.477
385 HG1 THR 71 HG1 THR 71 -0.511 -3.429 -8.824
386 1HG2 THR 71 1HG2 THR 71 -0.765 -0.212 -7.780
387 2HG2 THR 71 2HG2 THR 71 -1.598 -0.542 -6.260
388 3HG2 THR 71 3HG2 THR 71 -2.405 -0.865 -7.795
389 H ALA 72 H ALA 72 0.259 -2.766 -4.578
390 HA ALA 72 HA ALA 72 0.393 -0.245 -3.456
391 1HB ALA 72 1HB ALA 72 1.049 -1.428 -1.351
392 2HB ALA 72 2HB ALA 72 1.177 -2.909 -2.297
393 3HB ALA 72 3HB ALA 72 -0.374 -2.089 -2.149
394 H HIS 73 H HIS 73 3.009 -2.574 -3.974
395 HA HIS 73 HA HIS 73 5.137 -1.071 -2.961
396 1HB HIS 73 1HB HIS 73 4.984 -3.097 -5.194
397 2HB HIS 73 2HB HIS 73 6.498 -2.303 -4.788
398 HD2 HIS 73 HD2 HIS 73 4.251 -5.180 -3.528
399 HE1 HIS 73 HE1 HIS 73 7.493 -4.775 -0.816
400 HE2 HIS 73 HE2 HIS 73 5.496 -6.158 -1.484
401 H LYS 74 H LYS 74 3.737 -1.184 -6.216
402 HA LYS 74 HA LYS 74 5.348 0.696 -7.480
403 1HB LYS 74 1HB LYS 74 2.423 0.093 -7.941
404 2HB LYS 74 2HB LYS 74 3.454 0.969 -9.057
405 1HG LYS 74 1HG LYS 74 4.816 -0.993 -9.400
406 2HG LYS 74 2HG LYS 74 3.888 -1.878 -8.187
407 1HD LYS 74 1HD LYS 74 1.903 -1.055 -9.826
408 2HD LYS 74 2HD LYS 74 3.224 -1.231 -10.983
409 1HE LYS 74 1HE LYS 74 2.689 -3.394 -8.998
410 2HE LYS 74 2HE LYS 74 1.674 -3.255 -10.434
411 1HZ LYS 74 1HZ LYS 74 4.579 -3.776 -10.288
412 2HZ LYS 74 2HZ LYS 74 3.856 -3.209 -11.708
413 3HZ LYS 74 3HZ LYS 74 3.382 -4.694 -11.055
414 H VAL 75 H VAL 75 2.417 1.117 -5.575
415 HA VAL 75 HA VAL 75 2.152 3.902 -6.040
416 HB VAL 75 HB VAL 75 1.086 2.266 -3.741
417 1HG1 VAL 75 1HG1 VAL 75 1.137 4.939 -3.796
418 2HG1 VAL 75 2HG1 VAL 75 -0.216 4.030 -3.123
419 3HG1 VAL 75 3HG1 VAL 75 -0.314 4.671 -4.764
420 1HG2 VAL 75 1HG2 VAL 75 -0.975 2.709 -5.477
421 2HG2 VAL 75 2HG2 VAL 75 -0.021 1.226 -5.384
422 3HG2 VAL 75 3HG2 VAL 75 0.392 2.468 -6.567
423 H ALA 76 H ALA 76 3.243 2.106 -3.154
424 HA ALA 76 HA ALA 76 4.003 4.207 -1.582
425 1HB ALA 76 1HB ALA 76 5.868 2.549 -0.805
426 2HB ALA 76 2HB ALA 76 4.987 1.419 -1.829
427 3HB ALA 76 3HB ALA 76 4.168 2.216 -0.486
428 H TRP 77 H TRP 77 5.912 2.658 -4.118
429 HA TRP 77 HA TRP 77 8.251 4.184 -3.731
430 1HB TRP 77 1HB TRP 77 7.164 2.515 -5.927
431 2HB TRP 77 2HB TRP 77 8.379 3.706 -6.379
432 HD1 TRP 77 HD1 TRP 77 8.083 0.292 -5.185
433 HE1 TRP 77 HE1 TRP 77 10.335 -0.612 -4.326
434 HE3 TRP 77 HE3 TRP 77 10.621 4.697 -4.852
435 HZ2 TRP 77 HZ2 TRP 77 12.857 0.421 -3.595
436 HZ3 TRP 77 HZ3 TRP 77 12.946 4.661 -4.051
437 HH2 TRP 77 HH2 TRP 77 14.044 2.568 -3.440
438 H ALA 78 H ALA 78 5.393 4.697 -5.773
439 HA ALA 78 HA ALA 78 6.137 6.981 -7.128
440 1HB ALA 78 1HB ALA 78 3.629 7.599 -6.908
441 2HB ALA 78 2HB ALA 78 3.482 6.041 -6.094
442 3HB ALA 78 3HB ALA 78 4.069 6.118 -7.754
443 H ALA 79 H ALA 79 4.822 6.701 -3.853
444 HA ALA 79 HA ALA 79 4.781 9.472 -3.278
445 1HB ALA 79 1HB ALA 79 5.020 8.313 -0.849
446 2HB ALA 79 2HB ALA 79 4.420 6.955 -1.795
447 3HB ALA 79 3HB ALA 79 3.500 8.460 -1.724
448 H VAL 80 H VAL 80 7.087 6.863 -2.726
449 HA VAL 80 HA VAL 80 9.010 8.328 -1.327
450 HB VAL 80 HB VAL 80 9.318 5.885 -3.088
451 1HG1 VAL 80 1HG1 VAL 80 11.340 6.116 -1.102
452 2HG1 VAL 80 2HG1 VAL 80 11.309 7.610 -2.025
453 3HG1 VAL 80 3HG1 VAL 80 11.522 6.070 -2.855
454 1HG2 VAL 80 1HG2 VAL 80 7.935 6.022 -0.829
455 2HG2 VAL 80 2HG2 VAL 80 9.549 5.879 -0.123
456 3HG2 VAL 80 3HG2 VAL 80 8.949 4.634 -1.219
457 H LYS 81 H LYS 81 8.736 7.661 -4.853
458 HA LYS 81 HA LYS 81 11.040 9.140 -5.537
459 1HB LYS 81 1HB LYS 81 8.638 8.636 -7.292
460 2HB LYS 81 2HB LYS 81 10.285 8.969 -7.810
461 1HG LYS 81 1HG LYS 81 10.757 6.784 -6.369
462 2HG LYS 81 2HG LYS 81 9.080 6.462 -6.809
463 1HD LYS 81 1HD LYS 81 9.777 6.987 -9.203
464 2HD LYS 81 2HD LYS 81 11.439 6.878 -8.623
465 1HE LYS 81 1HE LYS 81 10.932 4.593 -7.782
466 2HE LYS 81 2HE LYS 81 9.340 4.716 -8.531
467 1HZ LYS 81 1HZ LYS 81 11.839 5.061 -10.080
468 2HZ LYS 81 2HZ LYS 81 10.280 4.758 -10.662
469 3HZ LYS 81 3HZ LYS 81 11.129 3.543 -9.846
470 H HIS 82 H HIS 82 8.000 10.126 -4.470
471 HA HIS 82 HA HIS 82 7.982 12.676 -5.851
472 1HB HIS 82 1HB HIS 82 5.871 11.460 -5.337
473 2HB HIS 82 2HB HIS 82 6.195 11.679 -3.621
474 HD2 HIS 82 HD2 HIS 82 5.232 14.005 -2.582
475 HE1 HIS 82 HE1 HIS 82 4.358 15.940 -6.257
476 HE2 HIS 82 HE2 HIS 82 4.209 16.077 -3.745
477 H GLU 83 H GLU 83 8.372 11.473 -2.546
478 HA GLU 83 HA GLU 83 9.271 14.107 -1.653
479 1HB GLU 83 1HB GLU 83 9.079 11.761 0.174
480 2HB GLU 83 2HB GLU 83 8.745 13.459 0.490
481 1HG GLU 83 1HG GLU 83 6.827 12.914 -1.318
482 2HG GLU 83 2HG GLU 83 6.988 11.339 -0.539
483 H TYR 84 H TYR 84 10.560 11.176 -2.714
484 HA TYR 84 HA TYR 84 13.210 11.944 -1.710
485 1HB TYR 84 1HB TYR 84 11.882 9.251 -1.531
486 2HB TYR 84 2HB TYR 84 13.634 9.395 -1.530
487 HD1 TYR 84 HD1 TYR 84 14.803 10.222 0.392
488 HD2 TYR 84 HD2 TYR 84 10.554 10.207 0.311
489 HE1 TYR 84 HE1 TYR 84 14.761 10.734 2.797
490 HE2 TYR 84 HE2 TYR 84 10.508 10.715 2.719
491 HH TYR 84 HH TYR 84 12.882 10.274 4.744
492 H ALA 85 H ALA 85 14.962 11.419 -3.002
493 HA ALA 85 HA ALA 85 14.322 10.531 -5.746
494 1HB ALA 85 1HB ALA 85 15.463 13.017 -4.886
495 2HB ALA 85 2HB ALA 85 15.007 12.503 -6.508
496 3HB ALA 85 3HB ALA 85 16.616 12.142 -5.887
497 H LYS 86 H LYS 86 15.857 9.263 -6.818
498 HA LYS 86 HA LYS 86 17.777 7.948 -5.055
499 1HB LYS 86 1HB LYS 86 16.261 6.593 -6.519
500 2HB LYS 86 2HB LYS 86 17.109 7.240 -7.906
501 1HG LYS 86 1HG LYS 86 19.178 6.242 -7.124
502 2HG LYS 86 2HG LYS 86 18.350 5.622 -5.695
503 1HD LYS 86 1HD LYS 86 18.382 3.788 -7.124
504 2HD LYS 86 2HD LYS 86 16.773 4.467 -7.377
505 1HE LYS 86 1HE LYS 86 17.236 5.119 -9.496
506 2HE LYS 86 2HE LYS 86 18.919 5.496 -9.128
507 1HZ LYS 86 1HZ LYS 86 18.198 3.409 -10.577
508 2HZ LYS 86 2HZ LYS 86 18.163 2.684 -9.048
509 3HZ LYS 86 3HZ LYS 86 19.586 3.407 -9.609
510 H GLY 87 H GLY 87 19.858 8.596 -5.031
511 1HA GLY 87 1HA GLY 87 20.822 10.565 -6.787
512 2HA GLY 87 2HA GLY 87 21.808 9.584 -5.712
513 H ASP 88 H ASP 88 23.243 9.882 -7.739
514 HA ASP 88 HA ASP 88 22.528 8.223 -9.981
515 1HB ASP 88 1HB ASP 88 24.792 8.842 -10.818
516 2HB ASP 88 2HB ASP 88 23.797 10.234 -10.402
517 H ASP 89 H ASP 89 22.765 6.864 -7.342
518 HA ASP 89 HA ASP 89 24.843 4.962 -8.126
519 1HB ASP 89 1HB ASP 89 24.120 5.580 -5.268
520 2HB ASP 89 2HB ASP 89 25.453 4.582 -5.842
521 H ASP 90 H ASP 90 22.661 4.751 -5.458
522 HA ASP 90 HA ASP 90 20.611 3.274 -6.662
523 1HB ASP 90 1HB ASP 90 22.989 1.772 -6.033
524 2HB ASP 90 2HB ASP 90 21.675 1.254 -4.992
525 H LYS 91 H LYS 91 21.241 5.392 -4.800
526 HA LYS 91 HA LYS 91 19.712 4.423 -2.479
527 1HB LYS 91 1HB LYS 91 22.271 5.843 -2.606
528 2HB LYS 91 2HB LYS 91 21.141 6.473 -1.438
529 1HG LYS 91 1HG LYS 91 20.947 4.198 -0.488
530 2HG LYS 91 2HG LYS 91 22.179 3.670 -1.639
531 1HD LYS 91 1HD LYS 91 23.282 5.920 -0.420
532 2HD LYS 91 2HD LYS 91 22.473 5.041 0.905
533 1HE LYS 91 1HE LYS 91 23.811 3.115 -0.667
534 2HE LYS 91 2HE LYS 91 24.942 4.450 -0.439
535 1HZ LYS 91 1HZ LYS 91 24.307 4.300 1.996
536 2HZ LYS 91 2HZ LYS 91 25.266 3.049 1.384
537 3HZ LYS 91 3HZ LYS 91 23.611 2.804 1.625
538 H TRP 92 H TRP 92 18.530 6.156 -1.342
539 HA TRP 92 HA TRP 92 17.781 8.312 -3.194
540 1HB TRP 92 1HB TRP 92 15.971 6.851 -1.275
541 2HB TRP 92 2HB TRP 92 15.487 8.149 -2.359
542 HD1 TRP 92 HD1 TRP 92 17.156 4.663 -2.755
543 HE1 TRP 92 HE1 TRP 92 16.134 3.529 -4.824
544 HE3 TRP 92 HE3 TRP 92 14.025 8.408 -4.256
545 HZ2 TRP 92 HZ2 TRP 92 14.248 4.145 -6.835
546 HZ3 TRP 92 HZ3 TRP 92 12.646 8.058 -6.264
547 HH2 TRP 92 HH2 TRP 92 12.759 5.970 -7.525
548 H HIS 93 H HIS 93 16.953 10.247 -2.302
549 HA HIS 93 HA HIS 93 17.456 10.778 0.526
550 1HB HIS 93 1HB HIS 93 18.591 12.947 -0.120
551 2HB HIS 93 2HB HIS 93 19.532 11.493 -0.441
552 HD2 HIS 93 HD2 HIS 93 18.968 10.660 -3.344
553 HE1 HIS 93 HE1 HIS 93 19.042 14.756 -4.445
554 HE2 HIS 93 HE2 HIS 93 19.232 12.380 -5.258
555 H LYS 94 H LYS 94 15.979 12.275 1.376
556 HA LYS 94 HA LYS 94 13.578 12.594 0.030
557 1HB LYS 94 1HB LYS 94 14.063 12.910 2.552
558 2HB LYS 94 2HB LYS 94 14.353 14.589 2.115
559 1HG LYS 94 1HG LYS 94 12.100 14.617 1.025
560 2HG LYS 94 2HG LYS 94 11.816 13.019 1.712
561 1HD LYS 94 1HD LYS 94 12.422 14.142 3.967
562 2HD LYS 94 2HD LYS 94 12.112 15.653 3.109
563 1HE LYS 94 1HE LYS 94 9.914 14.295 2.398
564 2HE LYS 94 2HE LYS 94 10.236 13.520 3.950
565 1HZ LYS 94 1HZ LYS 94 10.267 15.719 4.982
566 2HZ LYS 94 2HZ LYS 94 8.782 15.405 4.237
567 3HZ LYS 94 3HZ LYS 94 9.899 16.435 3.495
568 H LYS 95 H LYS 95 12.908 13.748 -1.514
569 HA LYS 95 HA LYS 95 14.435 15.909 -2.596
570 1HB LYS 95 1HB LYS 95 12.001 14.388 -3.377
571 2HB LYS 95 2HB LYS 95 12.294 15.957 -4.100
572 1HG LYS 95 1HG LYS 95 14.519 14.025 -4.071
573 2HG LYS 95 2HG LYS 95 13.184 13.732 -5.189
574 1HD LYS 95 1HD LYS 95 14.168 16.497 -5.138
575 2HD LYS 95 2HD LYS 95 15.338 15.310 -5.717
576 1HE LYS 95 1HE LYS 95 13.595 14.468 -7.291
577 2HE LYS 95 2HE LYS 95 12.564 15.804 -6.787
578 1HZ LYS 95 1HZ LYS 95 15.160 15.962 -8.205
579 2HZ LYS 95 2HZ LYS 95 14.415 17.308 -7.504
580 3HZ LYS 95 3HZ LYS 95 13.644 16.473 -8.757
581 H SER 96 H SER 96 10.953 15.831 -2.238
582 HA SER 96 HA SER 96 10.709 18.578 -1.674
583 1HB SER 96 1HB SER 96 8.852 16.231 -1.572
584 2HB SER 96 2HB SER 96 8.336 17.761 -0.863
585 HG SER 96 HG SER 96 9.110 18.614 -3.038
Start of MODEL 17
1 HA PRO 22 HA PRO 22 3.011 -7.528 4.626
2 1HB PRO 22 1HB PRO 22 4.242 -5.697 2.705
3 2HB PRO 22 2HB PRO 22 3.953 -7.427 2.563
4 1HG PRO 22 1HG PRO 22 2.584 -5.665 1.098
5 2HG PRO 22 2HG PRO 22 1.840 -7.150 1.707
6 1HD PRO 22 1HD PRO 22 1.660 -4.380 2.836
7 2HD PRO 22 2HD PRO 22 0.367 -5.554 2.531
8 H TYR 23 H TYR 23 2.559 -4.134 4.998
9 HA TYR 23 HA TYR 23 5.069 -3.938 6.529
10 1HB TYR 23 1HB TYR 23 3.565 -1.671 5.212
11 2HB TYR 23 2HB TYR 23 5.130 -1.572 6.017
12 HD1 TYR 23 HD1 TYR 23 4.313 -0.836 3.091
13 HD2 TYR 23 HD2 TYR 23 6.187 -4.225 4.853
14 HE1 TYR 23 HE1 TYR 23 5.427 -1.326 0.956
15 HE2 TYR 23 HE2 TYR 23 7.302 -4.723 2.731
16 HH TYR 23 HH TYR 23 7.237 -2.513 0.046
17 H LYS 24 H LYS 24 4.957 -3.076 8.621
18 HA LYS 24 HA LYS 24 2.233 -2.530 9.582
19 1HB LYS 24 1HB LYS 24 3.952 -4.592 10.367
20 2HB LYS 24 2HB LYS 24 3.957 -3.440 11.694
21 1HG LYS 24 1HG LYS 24 2.239 -5.257 11.855
22 2HG LYS 24 2HG LYS 24 1.615 -3.612 11.981
23 1HD LYS 24 1HD LYS 24 1.685 -4.726 9.256
24 2HD LYS 24 2HD LYS 24 0.568 -5.520 10.368
25 1HE LYS 24 1HE LYS 24 0.475 -2.608 10.520
26 2HE LYS 24 2HE LYS 24 0.061 -3.233 8.924
27 1HZ LYS 24 1HZ LYS 24 -1.594 -4.662 9.967
28 2HZ LYS 24 2HZ LYS 24 -1.895 -3.033 10.306
29 3HZ LYS 24 3HZ LYS 24 -1.209 -4.028 11.488
30 H THR 25 H THR 25 5.670 -1.751 10.082
31 HA THR 25 HA THR 25 4.763 0.752 11.333
32 HB THR 25 HB THR 25 6.638 0.700 12.837
33 HG1 THR 25 HG1 THR 25 7.403 -1.790 11.738
34 1HG2 THR 25 1HG2 THR 25 5.359 -0.519 14.171
35 2HG2 THR 25 2HG2 THR 25 6.252 -1.927 13.598
36 3HG2 THR 25 3HG2 THR 25 4.734 -1.470 12.824
37 H LYS 26 H LYS 26 7.608 -0.784 9.859
38 HA LYS 26 HA LYS 26 7.885 0.930 7.688
39 1HB LYS 26 1HB LYS 26 8.705 2.156 10.136
40 2HB LYS 26 2HB LYS 26 10.142 1.844 9.175
41 1HG LYS 26 1HG LYS 26 9.026 3.005 7.271
42 2HG LYS 26 2HG LYS 26 7.728 3.449 8.381
43 1HD LYS 26 1HD LYS 26 10.562 4.055 9.104
44 2HD LYS 26 2HD LYS 26 9.713 5.097 7.961
45 1HE LYS 26 1HE LYS 26 9.101 6.171 9.854
46 2HE LYS 26 2HE LYS 26 7.847 4.931 9.877
47 1HZ LYS 26 1HZ LYS 26 9.154 3.633 11.390
48 2HZ LYS 26 2HZ LYS 26 8.998 5.195 12.022
49 3HZ LYS 26 3HZ LYS 26 10.448 4.718 11.293
50 H SER 27 H SER 27 9.870 -0.606 10.218
51 HA SER 27 HA SER 27 11.984 -1.422 8.593
52 1HB SER 27 1HB SER 27 11.044 -3.157 10.851
53 2HB SER 27 2HB SER 27 12.689 -2.728 10.386
54 HG SER 27 HG SER 27 11.954 -0.494 11.022
55 H ASP 28 H ASP 28 8.761 -2.601 8.831
56 HA ASP 28 HA ASP 28 9.104 -5.236 7.915
57 1HB ASP 28 1HB ASP 28 6.791 -3.309 7.783
58 2HB ASP 28 2HB ASP 28 6.682 -4.947 7.150
59 H LEU 29 H LEU 29 9.436 -2.236 6.299
60 HA LEU 29 HA LEU 29 8.662 -2.900 3.704
61 1HB LEU 29 1HB LEU 29 10.812 -1.026 4.668
62 2HB LEU 29 2HB LEU 29 10.269 -1.118 3.003
63 HG LEU 29 HG LEU 29 8.525 -0.367 5.348
64 1HD1 LEU 29 1HD1 LEU 29 8.942 1.807 4.960
65 2HD1 LEU 29 2HD1 LEU 29 9.178 1.567 3.225
66 3HD1 LEU 29 3HD1 LEU 29 10.479 1.173 4.352
67 1HD2 LEU 29 1HD2 LEU 29 7.811 0.166 2.520
68 2HD2 LEU 29 2HD2 LEU 29 6.771 -0.141 3.912
69 3HD2 LEU 29 3HD2 LEU 29 7.619 -1.473 3.129
70 HA PRO 30 HA PRO 30 11.690 -5.556 1.984
71 1HB PRO 30 1HB PRO 30 12.150 -3.703 -0.251
72 2HB PRO 30 2HB PRO 30 11.498 -5.334 -0.276
73 1HG PRO 30 1HG PRO 30 9.943 -3.227 -0.725
74 2HG PRO 30 2HG PRO 30 9.367 -4.613 0.200
75 1HD PRO 30 1HD PRO 30 10.354 -1.971 1.198
76 2HD PRO 30 2HD PRO 30 8.941 -2.911 1.713
77 H GLU 31 H GLU 31 13.807 -5.961 2.170
78 HA GLU 31 HA GLU 31 15.561 -4.196 3.382
79 1HB GLU 31 1HB GLU 31 17.367 -5.741 2.745
80 2HB GLU 31 2HB GLU 31 15.961 -6.594 3.366
81 1HG GLU 31 1HG GLU 31 15.617 -6.435 0.587
82 2HG GLU 31 2HG GLU 31 17.299 -6.883 0.855
83 H SER 32 H SER 32 15.232 -4.911 -0.095
84 HA SER 32 HA SER 32 17.330 -3.209 -0.942
85 1HB SER 32 1HB SER 32 16.030 -3.252 -3.150
86 2HB SER 32 2HB SER 32 16.624 -4.791 -2.534
87 HG SER 32 HG SER 32 14.106 -4.127 -1.645
88 H VAL 33 H VAL 33 14.348 -2.522 0.417
89 HA VAL 33 HA VAL 33 14.106 0.086 -0.873
90 HB VAL 33 HB VAL 33 12.293 -1.335 1.096
91 1HG1 VAL 33 1HG1 VAL 33 11.480 0.683 1.587
92 2HG1 VAL 33 2HG1 VAL 33 10.874 0.747 -0.067
93 3HG1 VAL 33 3HG1 VAL 33 12.439 1.457 0.326
94 1HG2 VAL 33 1HG2 VAL 33 12.417 -2.186 -1.279
95 2HG2 VAL 33 2HG2 VAL 33 11.742 -0.637 -1.781
96 3HG2 VAL 33 3HG2 VAL 33 10.818 -1.699 -0.717
97 H LYS 34 H LYS 34 14.229 -1.328 2.384
98 HA LYS 34 HA LYS 34 14.616 1.077 3.784
99 1HB LYS 34 1HB LYS 34 15.515 -1.711 4.543
100 2HB LYS 34 2HB LYS 34 15.305 -0.354 5.645
101 1HG LYS 34 1HG LYS 34 12.938 -0.352 5.294
102 2HG LYS 34 2HG LYS 34 13.079 -1.555 4.011
103 1HD LYS 34 1HD LYS 34 13.772 -1.978 6.918
104 2HD LYS 34 2HD LYS 34 12.316 -2.558 6.111
105 1HE LYS 34 1HE LYS 34 13.553 -4.056 4.756
106 2HE LYS 34 2HE LYS 34 15.083 -3.305 5.198
107 1HZ LYS 34 1HZ LYS 34 13.987 -5.503 6.367
108 2HZ LYS 34 2HZ LYS 34 13.645 -4.270 7.474
109 3HZ LYS 34 3HZ LYS 34 15.243 -4.564 7.002
110 H HIS 35 H HIS 35 16.837 -1.087 2.145
111 HA HIS 35 HA HIS 35 19.226 0.097 3.269
112 1HB HIS 35 1HB HIS 35 18.586 -2.260 1.784
113 2HB HIS 35 2HB HIS 35 19.851 -1.391 0.934
114 HD2 HIS 35 HD2 HIS 35 19.778 -4.133 3.290
115 HE1 HIS 35 HE1 HIS 35 23.108 -1.848 4.593
116 HE2 HIS 35 HE2 HIS 35 21.974 -4.098 4.656
117 H VAL 36 H VAL 36 17.293 1.747 1.691
118 HA VAL 36 HA VAL 36 19.248 3.177 0.107
119 HB VAL 36 HB VAL 36 17.688 3.221 -1.889
120 1HG1 VAL 36 1HG1 VAL 36 19.819 1.785 -1.547
121 2HG1 VAL 36 2HG1 VAL 36 18.740 1.412 -2.889
122 3HG1 VAL 36 3HG1 VAL 36 18.687 0.438 -1.423
123 1HG2 VAL 36 1HG2 VAL 36 16.187 1.261 -2.131
124 2HG2 VAL 36 2HG2 VAL 36 15.679 2.363 -0.851
125 3HG2 VAL 36 3HG2 VAL 36 16.497 0.852 -0.441
126 H LEU 37 H LEU 37 15.948 2.805 1.300
127 HA LEU 37 HA LEU 37 15.383 5.627 0.939
128 1HB LEU 37 1HB LEU 37 13.822 3.238 1.310
129 2HB LEU 37 2HB LEU 37 13.369 4.451 2.487
130 HG LEU 37 HG LEU 37 12.520 5.881 0.913
131 1HD1 LEU 37 1HD1 LEU 37 14.541 4.689 -0.907
132 2HD1 LEU 37 2HD1 LEU 37 14.212 6.382 -0.530
133 3HD1 LEU 37 3HD1 LEU 37 13.125 5.484 -1.594
134 1HD2 LEU 37 1HD2 LEU 37 10.888 4.657 0.017
135 2HD2 LEU 37 2HD2 LEU 37 11.682 3.299 0.811
136 3HD2 LEU 37 3HD2 LEU 37 12.007 3.645 -0.890
137 HA PRO 38 HA PRO 38 16.884 6.858 4.881
138 1HB PRO 38 1HB PRO 38 15.049 9.132 4.295
139 2HB PRO 38 2HB PRO 38 16.774 9.157 4.687
140 1HG PRO 38 1HG PRO 38 16.044 9.589 2.191
141 2HG PRO 38 2HG PRO 38 17.385 8.480 2.504
142 1HD PRO 38 1HD PRO 38 14.512 7.833 1.959
143 2HD PRO 38 2HD PRO 38 15.968 7.177 1.190
144 H SER 39 H SER 39 15.749 7.952 6.889
145 HA SER 39 HA SER 39 13.994 6.118 7.972
146 1HB SER 39 1HB SER 39 15.412 8.098 9.033
147 2HB SER 39 2HB SER 39 13.849 8.910 8.997
148 HG SER 39 HG SER 39 13.959 6.302 10.002
149 H HIS 40 H HIS 40 12.954 9.486 7.445
150 HA HIS 40 HA HIS 40 10.242 8.984 7.639
151 1HB HIS 40 1HB HIS 40 11.438 11.216 7.694
152 2HB HIS 40 2HB HIS 40 11.392 11.177 5.936
153 HD2 HIS 40 HD2 HIS 40 9.643 13.396 5.991
154 HE1 HIS 40 HE1 HIS 40 6.355 11.211 7.542
155 HE2 HIS 40 HE2 HIS 40 7.121 13.405 6.569
156 H ALA 41 H ALA 41 12.291 8.280 4.964
157 HA ALA 41 HA ALA 41 10.331 8.445 2.903
158 1HB ALA 41 1HB ALA 41 11.958 7.698 1.501
159 2HB ALA 41 2HB ALA 41 12.590 6.541 2.674
160 3HB ALA 41 3HB ALA 41 12.960 8.255 2.840
161 H GLN 42 H GLN 42 11.432 5.852 5.015
162 HA GLN 42 HA GLN 42 10.001 3.759 3.760
163 1HB GLN 42 1HB GLN 42 10.786 3.987 6.672
164 2HB GLN 42 2HB GLN 42 10.490 2.507 5.779
165 1HG GLN 42 1HG GLN 42 12.551 2.463 4.948
166 2HG GLN 42 2HG GLN 42 12.505 4.182 4.540
167 1HE2 GLN 42 1HE2 GLN 42 14.815 3.847 5.263
168 2HE2 GLN 42 2HE2 GLN 42 15.155 4.114 6.935
169 H ASP 43 H ASP 43 9.219 6.026 6.358
170 HA ASP 43 HA ASP 43 6.713 4.946 7.080
171 1HB ASP 43 1HB ASP 43 8.057 6.769 8.287
172 2HB ASP 43 2HB ASP 43 7.412 7.890 7.094
173 H ILE 44 H ILE 44 7.780 7.258 4.688
174 HA ILE 44 HA ILE 44 5.280 8.000 3.606
175 HB ILE 44 HB ILE 44 8.082 7.914 2.464
176 1HG1 ILE 44 1HG1 ILE 44 6.254 10.171 3.305
177 2HG1 ILE 44 2HG1 ILE 44 7.635 9.572 4.210
178 1HG2 ILE 44 1HG2 ILE 44 5.985 7.743 0.797
179 2HG2 ILE 44 2HG2 ILE 44 7.422 8.684 0.417
180 3HG2 ILE 44 3HG2 ILE 44 5.986 9.485 1.051
181 1HD1 ILE 44 1HD1 ILE 44 8.634 11.328 3.215
182 2HD1 ILE 44 2HD1 ILE 44 7.533 11.310 1.838
183 3HD1 ILE 44 3HD1 ILE 44 8.856 10.153 1.919
184 H TYR 45 H TYR 45 7.716 5.715 2.490
185 HA TYR 45 HA TYR 45 6.420 4.526 0.387
186 1HB TYR 45 1HB TYR 45 8.787 4.156 1.172
187 2HB TYR 45 2HB TYR 45 8.131 3.060 2.369
188 HD1 TYR 45 HD1 TYR 45 6.433 1.241 1.259
189 HD2 TYR 45 HD2 TYR 45 9.655 3.201 -0.694
190 HE1 TYR 45 HE1 TYR 45 6.532 -0.583 -0.389
191 HE2 TYR 45 HE2 TYR 45 9.766 1.380 -2.348
192 HH TYR 45 HH TYR 45 9.106 -1.084 -2.422
193 H LYS 46 H LYS 46 6.555 3.174 3.676
194 HA LYS 46 HA LYS 46 4.715 1.150 3.327
195 1HB LYS 46 1HB LYS 46 6.081 1.166 5.272
196 2HB LYS 46 2HB LYS 46 5.481 2.742 5.768
197 1HG LYS 46 1HG LYS 46 3.263 1.735 6.146
198 2HG LYS 46 2HG LYS 46 3.938 0.159 5.743
199 1HD LYS 46 1HD LYS 46 4.866 -0.073 7.765
200 2HD LYS 46 2HD LYS 46 5.501 1.574 7.747
201 1HE LYS 46 1HE LYS 46 3.899 1.189 9.582
202 2HE LYS 46 2HE LYS 46 3.374 2.450 8.467
203 1HZ LYS 46 1HZ LYS 46 2.280 0.176 7.443
204 2HZ LYS 46 2HZ LYS 46 1.468 1.329 8.375
205 3HZ LYS 46 3HZ LYS 46 2.123 -0.043 9.114
206 H GLU 47 H GLU 47 4.077 4.425 4.619
207 HA GLU 47 HA GLU 47 1.340 4.109 5.033
208 1HB GLU 47 1HB GLU 47 2.882 6.592 4.308
209 2HB GLU 47 2HB GLU 47 1.209 6.582 4.841
210 1HG GLU 47 1HG GLU 47 3.116 5.193 6.596
211 2HG GLU 47 2HG GLU 47 3.296 6.942 6.478
212 H ALA 48 H ALA 48 3.078 5.066 2.112
213 HA ALA 48 HA ALA 48 0.693 5.620 0.631
214 1HB ALA 48 1HB ALA 48 3.584 5.359 -0.076
215 2HB ALA 48 2HB ALA 48 2.528 6.764 -0.199
216 3HB ALA 48 3HB ALA 48 2.357 5.432 -1.342
217 H PHE 49 H PHE 49 2.857 2.899 1.038
218 HA PHE 49 HA PHE 49 1.794 1.223 -0.948
219 1HB PHE 49 1HB PHE 49 3.919 0.719 0.132
220 2HB PHE 49 2HB PHE 49 3.117 0.529 1.678
221 HD1 PHE 49 HD1 PHE 49 1.267 -1.338 1.757
222 HD2 PHE 49 HD2 PHE 49 4.335 -1.103 -1.183
223 HE1 PHE 49 HE1 PHE 49 0.945 -3.723 1.223
224 HE2 PHE 49 HE2 PHE 49 4.015 -3.482 -1.707
225 HZ PHE 49 HZ PHE 49 2.320 -4.795 -0.517
226 H ASN 50 H ASN 50 1.053 1.507 2.528
227 HA ASN 50 HA ASN 50 -0.899 -0.444 2.719
228 1HB ASN 50 1HB ASN 50 -0.707 2.208 4.164
229 2HB ASN 50 2HB ASN 50 -1.769 0.887 4.641
230 1HD2 ASN 50 1HD2 ASN 50 -0.347 -1.305 4.518
231 2HD2 ASN 50 2HD2 ASN 50 1.061 -1.230 5.515
232 H SER 51 H SER 51 -1.233 2.976 1.819
233 HA SER 51 HA SER 51 -4.007 3.077 1.597
234 1HB SER 51 1HB SER 51 -2.118 4.922 1.310
235 2HB SER 51 2HB SER 51 -2.351 4.561 -0.400
236 HG SER 51 HG SER 51 -4.607 4.984 -0.056
237 H ALA 52 H ALA 52 -1.581 2.201 -0.848
238 HA ALA 52 HA ALA 52 -3.509 1.659 -2.884
239 1HB ALA 52 1HB ALA 52 -0.619 1.542 -2.619
240 2HB ALA 52 2HB ALA 52 -1.614 1.853 -4.041
241 3HB ALA 52 3HB ALA 52 -1.268 0.195 -3.555
242 H TRP 53 H TRP 53 -2.074 -0.147 -0.283
243 HA TRP 53 HA TRP 53 -2.773 -2.747 -1.187
244 1HB TRP 53 1HB TRP 53 -1.126 -2.769 0.459
245 2HB TRP 53 2HB TRP 53 -1.909 -1.519 1.411
246 HD1 TRP 53 HD1 TRP 53 -1.662 -5.285 1.055
247 HE1 TRP 53 HE1 TRP 53 -2.980 -6.393 2.931
248 HE3 TRP 53 HE3 TRP 53 -4.045 -1.166 2.927
249 HZ2 TRP 53 HZ2 TRP 53 -4.798 -5.650 4.959
250 HZ3 TRP 53 HZ3 TRP 53 -5.558 -1.456 4.843
251 HH2 TRP 53 HH2 TRP 53 -5.925 -3.653 5.839
252 H ASP 54 H ASP 54 -4.300 -0.477 1.124
253 HA ASP 54 HA ASP 54 -6.622 -2.086 1.496
254 1HB ASP 54 1HB ASP 54 -5.778 -0.339 3.115
255 2HB ASP 54 2HB ASP 54 -6.348 0.887 1.990
256 H GLN 55 H GLN 55 -5.701 0.490 -0.677
257 HA GLN 55 HA GLN 55 -8.282 1.061 -1.678
258 1HB GLN 55 1HB GLN 55 -5.493 1.611 -2.598
259 2HB GLN 55 2HB GLN 55 -6.825 1.881 -3.713
260 1HG GLN 55 1HG GLN 55 -7.795 3.190 -1.622
261 2HG GLN 55 2HG GLN 55 -6.082 3.347 -1.255
262 1HE2 GLN 55 1HE2 GLN 55 -5.085 5.019 -2.096
263 2HE2 GLN 55 2HE2 GLN 55 -5.585 5.911 -3.488
264 H TYR 56 H TYR 56 -5.995 -1.397 -2.295
265 HA TYR 56 HA TYR 56 -6.905 -2.208 -4.854
266 1HB TYR 56 1HB TYR 56 -4.780 -2.846 -3.217
267 2HB TYR 56 2HB TYR 56 -5.732 -4.321 -3.222
268 HD1 TYR 56 HD1 TYR 56 -4.205 -1.827 -5.489
269 HD2 TYR 56 HD2 TYR 56 -5.587 -5.809 -4.983
270 HE1 TYR 56 HE1 TYR 56 -3.244 -2.428 -7.667
271 HE2 TYR 56 HE2 TYR 56 -4.639 -6.426 -7.158
272 HH TYR 56 HH TYR 56 -2.583 -4.255 -8.957
273 H LYS 57 H LYS 57 -9.196 -1.854 -3.417
274 HA LYS 57 HA LYS 57 -10.170 -4.299 -2.294
275 1HB LYS 57 1HB LYS 57 -11.054 -1.588 -2.504
276 2HB LYS 57 2HB LYS 57 -12.339 -2.642 -3.074
277 1HG LYS 57 1HG LYS 57 -11.060 -3.503 -0.578
278 2HG LYS 57 2HG LYS 57 -11.934 -1.971 -0.484
279 1HD LYS 57 1HD LYS 57 -13.948 -3.007 -1.288
280 2HD LYS 57 2HD LYS 57 -13.094 -4.519 -1.607
281 1HE LYS 57 1HE LYS 57 -12.865 -5.005 0.666
282 2HE LYS 57 2HE LYS 57 -13.185 -3.339 1.148
283 1HZ LYS 57 1HZ LYS 57 -15.257 -4.016 1.509
284 2HZ LYS 57 2HZ LYS 57 -15.020 -5.486 0.707
285 3HZ LYS 57 3HZ LYS 57 -15.449 -4.103 -0.170
286 H ASP 58 H ASP 58 -9.456 -3.522 -5.390
287 HA ASP 58 HA ASP 58 -11.743 -4.531 -6.770
288 1HB ASP 58 1HB ASP 58 -9.688 -2.991 -7.539
289 2HB ASP 58 2HB ASP 58 -9.065 -4.556 -8.060
290 H LYS 59 H LYS 59 -8.732 -5.874 -5.581
291 HA LYS 59 HA LYS 59 -9.654 -8.531 -5.573
292 1HB LYS 59 1HB LYS 59 -9.283 -7.937 -8.096
293 2HB LYS 59 2HB LYS 59 -7.586 -8.136 -7.690
294 1HG LYS 59 1HG LYS 59 -7.835 -10.296 -8.089
295 2HG LYS 59 2HG LYS 59 -8.815 -10.374 -6.627
296 1HD LYS 59 1HD LYS 59 -10.801 -9.766 -8.045
297 2HD LYS 59 2HD LYS 59 -9.767 -9.968 -9.458
298 1HE LYS 59 1HE LYS 59 -10.419 -12.103 -9.432
299 2HE LYS 59 2HE LYS 59 -9.331 -12.287 -8.058
300 1HZ LYS 59 1HZ LYS 59 -12.227 -12.239 -8.133
301 2HZ LYS 59 2HZ LYS 59 -11.531 -11.374 -6.857
302 3HZ LYS 59 3HZ LYS 59 -11.182 -13.016 -7.051
303 H GLU 60 H GLU 60 -8.402 -7.031 -3.718
304 HA GLU 60 HA GLU 60 -5.577 -7.393 -3.675
305 1HB GLU 60 1HB GLU 60 -5.819 -6.710 -1.241
306 2HB GLU 60 2HB GLU 60 -6.332 -5.549 -2.448
307 1HG GLU 60 1HG GLU 60 -8.285 -5.402 -1.433
308 2HG GLU 60 2HG GLU 60 -8.595 -7.090 -1.826
309 H ASP 61 H ASP 61 -8.171 -8.895 -1.734
310 HA ASP 61 HA ASP 61 -6.241 -10.981 -0.989
311 1HB ASP 61 1HB ASP 61 -7.314 -9.666 0.847
312 2HB ASP 61 2HB ASP 61 -8.867 -10.336 0.359
313 H ARG 62 H ARG 62 -7.304 -11.209 -3.504
314 HA ARG 62 HA ARG 62 -9.306 -13.333 -3.210
315 1HB ARG 62 1HB ARG 62 -8.560 -11.976 -5.791
316 2HB ARG 62 2HB ARG 62 -10.011 -12.902 -5.428
317 1HG ARG 62 1HG ARG 62 -9.313 -10.261 -4.158
318 2HG ARG 62 2HG ARG 62 -10.381 -10.454 -5.550
319 1HD ARG 62 1HD ARG 62 -11.653 -12.118 -4.015
320 2HD ARG 62 2HD ARG 62 -10.801 -11.298 -2.711
321 HE ARG 62 HE ARG 62 -11.878 -9.238 -3.433
322 1HH1 ARG 62 1HH1 ARG 62 -13.254 -12.225 -4.629
323 2HH1 ARG 62 2HH1 ARG 62 -14.804 -11.523 -4.938
324 1HH2 ARG 62 1HH2 ARG 62 -13.918 -8.330 -3.844
325 2HH2 ARG 62 2HH2 ARG 62 -15.182 -9.319 -4.495
326 H ARG 63 H ARG 63 -7.862 -13.517 -6.235
327 HA ARG 63 HA ARG 63 -6.298 -15.822 -5.361
328 1HB ARG 63 1HB ARG 63 -6.321 -16.489 -7.731
329 2HB ARG 63 2HB ARG 63 -7.942 -16.270 -7.086
330 1HG ARG 63 1HG ARG 63 -8.216 -14.213 -8.228
331 2HG ARG 63 2HG ARG 63 -6.507 -14.152 -8.662
332 1HD ARG 63 1HD ARG 63 -6.848 -16.241 -9.988
333 2HD ARG 63 2HD ARG 63 -8.575 -16.104 -9.661
334 HE ARG 63 HE ARG 63 -8.708 -14.381 -11.181
335 1HH1 ARG 63 1HH1 ARG 63 -5.351 -15.102 -10.541
336 2HH1 ARG 63 2HH1 ARG 63 -4.768 -14.144 -11.860
337 1HH2 ARG 63 1HH2 ARG 63 -7.938 -13.124 -12.916
338 2HH2 ARG 63 2HH2 ARG 63 -6.234 -13.021 -13.206
339 H ASP 64 H ASP 64 -5.968 -12.737 -7.008
340 HA ASP 64 HA ASP 64 -3.097 -13.243 -7.366
341 1HB ASP 64 1HB ASP 64 -3.091 -11.516 -9.023
342 2HB ASP 64 2HB ASP 64 -4.472 -12.557 -9.351
343 H ASP 65 H ASP 65 -3.467 -12.848 -4.805
344 HA ASP 65 HA ASP 65 -3.702 -10.243 -3.834
345 1HB ASP 65 1HB ASP 65 -2.239 -12.655 -2.762
346 2HB ASP 65 2HB ASP 65 -2.316 -11.135 -1.875
347 H ALA 66 H ALA 66 -0.941 -11.900 -5.216
348 HA ALA 66 HA ALA 66 1.115 -10.211 -4.377
349 1HB ALA 66 1HB ALA 66 0.731 -12.050 -6.647
350 2HB ALA 66 2HB ALA 66 2.046 -11.940 -5.477
351 3HB ALA 66 3HB ALA 66 1.980 -10.820 -6.836
352 H SER 67 H SER 67 -1.066 -9.918 -7.157
353 HA SER 67 HA SER 67 0.021 -7.708 -8.410
354 1HB SER 67 1HB SER 67 -1.985 -9.095 -9.123
355 2HB SER 67 2HB SER 67 -2.948 -8.099 -8.038
356 HG SER 67 HG SER 67 -1.906 -6.288 -9.301
357 H ARG 68 H ARG 68 -2.236 -7.847 -5.695
358 HA ARG 68 HA ARG 68 -2.610 -5.096 -5.319
359 1HB ARG 68 1HB ARG 68 -3.954 -6.774 -4.136
360 2HB ARG 68 2HB ARG 68 -2.525 -7.312 -3.254
361 1HG ARG 68 1HG ARG 68 -3.270 -4.449 -3.037
362 2HG ARG 68 2HG ARG 68 -4.285 -5.634 -2.214
363 1HD ARG 68 1HD ARG 68 -1.294 -5.399 -1.892
364 2HD ARG 68 2HD ARG 68 -2.488 -4.732 -0.775
365 HE ARG 68 HE ARG 68 -3.223 -7.264 -0.756
366 1HH1 ARG 68 1HH1 ARG 68 -0.014 -5.902 -0.613
367 2HH1 ARG 68 2HH1 ARG 68 0.649 -7.241 0.253
368 1HH2 ARG 68 1HH2 ARG 68 -2.346 -9.025 0.402
369 2HH2 ARG 68 2HH2 ARG 68 -0.669 -9.008 0.838
370 H GLU 69 H GLU 69 -0.430 -7.249 -3.509
371 HA GLU 69 HA GLU 69 1.067 -5.378 -2.181
372 1HB GLU 69 1HB GLU 69 1.269 -7.795 -1.834
373 2HB GLU 69 2HB GLU 69 2.021 -7.980 -3.418
374 1HG GLU 69 1HG GLU 69 3.938 -6.732 -2.693
375 2HG GLU 69 2HG GLU 69 3.156 -6.359 -1.161
376 H GLU 70 H GLU 70 1.617 -6.695 -5.435
377 HA GLU 70 HA GLU 70 3.911 -5.354 -6.160
378 1HB GLU 70 1HB GLU 70 2.753 -7.098 -7.501
379 2HB GLU 70 2HB GLU 70 1.520 -5.925 -7.920
380 1HG GLU 70 1HG GLU 70 2.726 -5.378 -9.683
381 2HG GLU 70 2HG GLU 70 3.944 -4.717 -8.593
382 H THR 71 H THR 71 0.612 -4.322 -7.022
383 HA THR 71 HA THR 71 1.229 -1.805 -7.981
384 HB THR 71 HB THR 71 -1.238 -2.705 -6.484
385 HG1 THR 71 HG1 THR 71 -0.669 -3.655 -8.579
386 1HG2 THR 71 1HG2 THR 71 -1.527 -0.442 -6.320
387 2HG2 THR 71 2HG2 THR 71 -2.239 -0.757 -7.906
388 3HG2 THR 71 3HG2 THR 71 -0.603 -0.106 -7.784
389 H ALA 72 H ALA 72 0.396 -2.655 -4.609
390 HA ALA 72 HA ALA 72 0.555 -0.131 -3.506
391 1HB ALA 72 1HB ALA 72 1.240 -1.277 -1.392
392 2HB ALA 72 2HB ALA 72 1.369 -2.776 -2.311
393 3HB ALA 72 3HB ALA 72 -0.189 -1.964 -2.162
394 H HIS 73 H HIS 73 3.145 -2.456 -4.105
395 HA HIS 73 HA HIS 73 5.312 -1.004 -3.110
396 1HB HIS 73 1HB HIS 73 5.021 -3.030 -5.307
397 2HB HIS 73 2HB HIS 73 6.549 -2.184 -5.124
398 HD2 HIS 73 HD2 HIS 73 4.549 -5.058 -3.488
399 HE1 HIS 73 HE1 HIS 73 8.146 -4.552 -1.295
400 HE2 HIS 73 HE2 HIS 73 6.077 -5.956 -1.604
401 H LYS 74 H LYS 74 3.854 -1.024 -6.338
402 HA LYS 74 HA LYS 74 5.453 0.894 -7.556
403 1HB LYS 74 1HB LYS 74 2.634 -0.041 -8.024
404 2HB LYS 74 2HB LYS 74 3.341 1.233 -9.007
405 1HG LYS 74 1HG LYS 74 4.372 -0.253 -10.264
406 2HG LYS 74 2HG LYS 74 5.165 -0.964 -8.865
407 1HD LYS 74 1HD LYS 74 3.997 -2.795 -9.472
408 2HD LYS 74 2HD LYS 74 2.682 -1.995 -8.617
409 1HE LYS 74 1HE LYS 74 2.433 -0.853 -11.046
410 2HE LYS 74 2HE LYS 74 3.090 -2.421 -11.508
411 1HZ LYS 74 1HZ LYS 74 0.532 -2.064 -11.261
412 2HZ LYS 74 2HZ LYS 74 0.843 -2.345 -9.627
413 3HZ LYS 74 3HZ LYS 74 1.245 -3.518 -10.774
414 H VAL 75 H VAL 75 2.437 1.270 -5.765
415 HA VAL 75 HA VAL 75 2.189 4.062 -6.177
416 HB VAL 75 HB VAL 75 1.054 2.381 -3.939
417 1HG1 VAL 75 1HG1 VAL 75 0.419 5.149 -4.943
418 2HG1 VAL 75 2HG1 VAL 75 0.834 4.647 -3.301
419 3HG1 VAL 75 3HG1 VAL 75 -0.725 4.197 -3.996
420 1HG2 VAL 75 1HG2 VAL 75 -0.975 2.797 -5.673
421 2HG2 VAL 75 2HG2 VAL 75 0.057 1.364 -5.680
422 3HG2 VAL 75 3HG2 VAL 75 0.395 2.700 -6.782
423 H ALA 76 H ALA 76 3.181 2.245 -3.265
424 HA ALA 76 HA ALA 76 3.875 4.334 -1.649
425 1HB ALA 76 1HB ALA 76 5.675 2.722 -0.745
426 2HB ALA 76 2HB ALA 76 4.984 1.577 -1.896
427 3HB ALA 76 3HB ALA 76 3.976 2.275 -0.628
428 H TRP 77 H TRP 77 5.869 2.835 -4.131
429 HA TRP 77 HA TRP 77 8.203 4.344 -3.671
430 1HB TRP 77 1HB TRP 77 7.133 2.756 -5.935
431 2HB TRP 77 2HB TRP 77 8.363 3.948 -6.334
432 HD1 TRP 77 HD1 TRP 77 8.006 0.499 -5.270
433 HE1 TRP 77 HE1 TRP 77 10.240 -0.483 -4.459
434 HE3 TRP 77 HE3 TRP 77 10.638 4.838 -4.757
435 HZ2 TRP 77 HZ2 TRP 77 12.783 0.462 -3.696
436 HZ3 TRP 77 HZ3 TRP 77 12.972 4.712 -3.968
437 HH2 TRP 77 HH2 TRP 77 14.017 2.571 -3.452
438 H ALA 78 H ALA 78 5.377 4.928 -5.742
439 HA ALA 78 HA ALA 78 6.161 7.239 -7.021
440 1HB ALA 78 1HB ALA 78 3.717 7.856 -7.009
441 2HB ALA 78 2HB ALA 78 3.439 6.446 -5.991
442 3HB ALA 78 3HB ALA 78 4.084 6.242 -7.617
443 H ALA 79 H ALA 79 4.817 6.879 -3.759
444 HA ALA 79 HA ALA 79 4.775 9.628 -3.111
445 1HB ALA 79 1HB ALA 79 3.581 8.687 -1.474
446 2HB ALA 79 2HB ALA 79 5.117 8.250 -0.735
447 3HB ALA 79 3HB ALA 79 4.283 7.097 -1.777
448 H VAL 80 H VAL 80 7.100 7.018 -2.639
449 HA VAL 80 HA VAL 80 9.030 8.476 -1.239
450 HB VAL 80 HB VAL 80 9.320 6.038 -3.016
451 1HG1 VAL 80 1HG1 VAL 80 11.367 7.701 -2.235
452 2HG1 VAL 80 2HG1 VAL 80 11.527 5.995 -2.634
453 3HG1 VAL 80 3HG1 VAL 80 11.338 6.497 -0.951
454 1HG2 VAL 80 1HG2 VAL 80 9.535 6.068 -0.037
455 2HG2 VAL 80 2HG2 VAL 80 9.016 4.779 -1.121
456 3HG2 VAL 80 3HG2 VAL 80 7.938 6.129 -0.783
457 H LYS 81 H LYS 81 8.796 7.749 -4.749
458 HA LYS 81 HA LYS 81 11.040 9.233 -5.522
459 1HB LYS 81 1HB LYS 81 8.538 8.740 -7.142
460 2HB LYS 81 2HB LYS 81 10.138 9.114 -7.764
461 1HG LYS 81 1HG LYS 81 10.915 6.969 -6.674
462 2HG LYS 81 2HG LYS 81 9.212 6.592 -6.430
463 1HD LYS 81 1HD LYS 81 8.847 6.826 -8.863
464 2HD LYS 81 2HD LYS 81 10.580 7.095 -9.071
465 1HE LYS 81 1HE LYS 81 11.006 4.877 -8.070
466 2HE LYS 81 2HE LYS 81 9.266 4.613 -7.970
467 1HZ LYS 81 1HZ LYS 81 9.150 4.826 -10.388
468 2HZ LYS 81 2HZ LYS 81 10.167 3.556 -9.924
469 3HZ LYS 81 3HZ LYS 81 10.831 5.017 -10.461
470 H HIS 82 H HIS 82 8.026 10.299 -4.390
471 HA HIS 82 HA HIS 82 8.072 12.847 -5.778
472 1HB HIS 82 1HB HIS 82 5.978 11.490 -5.020
473 2HB HIS 82 2HB HIS 82 6.278 12.231 -3.452
474 HD2 HIS 82 HD2 HIS 82 4.728 14.421 -3.204
475 HE1 HIS 82 HE1 HIS 82 4.788 15.679 -7.258
476 HE2 HIS 82 HE2 HIS 82 3.929 16.167 -4.940
477 H GLU 83 H GLU 83 8.411 11.674 -2.457
478 HA GLU 83 HA GLU 83 9.385 14.286 -1.577
479 1HB GLU 83 1HB GLU 83 9.203 11.953 0.265
480 2HB GLU 83 2HB GLU 83 8.842 13.647 0.559
481 1HG GLU 83 1HG GLU 83 6.920 13.045 -1.227
482 2HG GLU 83 2HG GLU 83 7.111 11.484 -0.430
483 H TYR 84 H TYR 84 10.595 11.380 -2.708
484 HA TYR 84 HA TYR 84 13.271 12.038 -1.708
485 1HB TYR 84 1HB TYR 84 11.892 9.367 -1.649
486 2HB TYR 84 2HB TYR 84 13.644 9.492 -1.622
487 HD1 TYR 84 HD1 TYR 84 14.796 10.135 0.364
488 HD2 TYR 84 HD2 TYR 84 10.551 10.337 0.208
489 HE1 TYR 84 HE1 TYR 84 14.725 10.522 2.792
490 HE2 TYR 84 HE2 TYR 84 10.484 10.722 2.639
491 HH TYR 84 HH TYR 84 13.019 11.677 4.421
492 H ALA 85 H ALA 85 14.987 11.505 -3.028
493 HA ALA 85 HA ALA 85 14.294 10.804 -5.811
494 1HB ALA 85 1HB ALA 85 14.877 12.973 -6.157
495 2HB ALA 85 2HB ALA 85 16.496 12.270 -6.190
496 3HB ALA 85 3HB ALA 85 15.898 13.042 -4.720
497 H LYS 86 H LYS 86 15.703 9.452 -6.922
498 HA LYS 86 HA LYS 86 17.604 8.005 -5.244
499 1HB LYS 86 1HB LYS 86 15.939 6.800 -6.737
500 2HB LYS 86 2HB LYS 86 16.881 7.370 -8.097
501 1HG LYS 86 1HG LYS 86 18.823 6.173 -7.289
502 2HG LYS 86 2HG LYS 86 17.930 5.653 -5.859
503 1HD LYS 86 1HD LYS 86 17.574 3.803 -7.115
504 2HD LYS 86 2HD LYS 86 16.263 4.782 -7.773
505 1HE LYS 86 1HE LYS 86 18.824 5.247 -9.088
506 2HE LYS 86 2HE LYS 86 18.261 3.581 -9.226
507 1HZ LYS 86 1HZ LYS 86 17.417 4.834 -11.055
508 2HZ LYS 86 2HZ LYS 86 16.787 6.027 -10.035
509 3HZ LYS 86 3HZ LYS 86 16.118 4.473 -10.033
510 H GLY 87 H GLY 87 19.714 8.535 -5.283
511 1HA GLY 87 1HA GLY 87 20.708 10.510 -7.018
512 2HA GLY 87 2HA GLY 87 21.684 9.457 -6.005
513 H ASP 88 H ASP 88 23.145 9.611 -7.968
514 HA ASP 88 HA ASP 88 22.233 8.109 -10.262
515 1HB ASP 88 1HB ASP 88 24.498 8.606 -11.170
516 2HB ASP 88 2HB ASP 88 23.594 10.042 -10.705
517 H ASP 89 H ASP 89 22.381 6.596 -7.766
518 HA ASP 89 HA ASP 89 24.321 4.601 -8.664
519 1HB ASP 89 1HB ASP 89 23.795 5.235 -5.764
520 2HB ASP 89 2HB ASP 89 24.953 4.068 -6.396
521 H ASP 90 H ASP 90 22.254 4.464 -5.893
522 HA ASP 90 HA ASP 90 20.042 3.187 -7.044
523 1HB ASP 90 1HB ASP 90 22.304 1.482 -6.593
524 2HB ASP 90 2HB ASP 90 21.040 1.055 -5.452
525 H LYS 91 H LYS 91 20.926 5.180 -5.147
526 HA LYS 91 HA LYS 91 19.430 4.256 -2.787
527 1HB LYS 91 1HB LYS 91 22.054 5.546 -3.005
528 2HB LYS 91 2HB LYS 91 21.009 6.216 -1.783
529 1HG LYS 91 1HG LYS 91 20.756 3.976 -0.813
530 2HG LYS 91 2HG LYS 91 21.838 3.346 -2.059
531 1HD LYS 91 1HD LYS 91 23.064 5.599 -0.761
532 2HD LYS 91 2HD LYS 91 22.523 4.421 0.464
533 1HE LYS 91 1HE LYS 91 23.748 3.032 -1.724
534 2HE LYS 91 2HE LYS 91 24.825 4.319 -1.182
535 1HZ LYS 91 1HZ LYS 91 23.774 2.029 0.355
536 2HZ LYS 91 2HZ LYS 91 24.344 3.414 1.143
537 3HZ LYS 91 3HZ LYS 91 25.380 2.521 0.147
538 H TRP 92 H TRP 92 18.351 6.004 -1.613
539 HA TRP 92 HA TRP 92 17.711 8.251 -3.389
540 1HB TRP 92 1HB TRP 92 15.767 6.900 -1.527
541 2HB TRP 92 2HB TRP 92 15.406 8.160 -2.702
542 HD1 TRP 92 HD1 TRP 92 16.937 4.587 -2.855
543 HE1 TRP 92 HE1 TRP 92 15.955 3.401 -4.916
544 HE3 TRP 92 HE3 TRP 92 14.016 8.376 -4.645
545 HZ2 TRP 92 HZ2 TRP 92 14.174 3.997 -7.027
546 HZ3 TRP 92 HZ3 TRP 92 12.705 7.988 -6.691
547 HH2 TRP 92 HH2 TRP 92 12.784 5.845 -7.856
548 H HIS 93 H HIS 93 16.901 10.170 -2.403
549 HA HIS 93 HA HIS 93 17.442 10.561 0.438
550 1HB HIS 93 1HB HIS 93 18.646 12.716 -0.112
551 2HB HIS 93 2HB HIS 93 19.540 11.249 -0.498
552 HD2 HIS 93 HD2 HIS 93 18.927 10.571 -3.445
553 HE1 HIS 93 HE1 HIS 93 19.203 14.709 -4.344
554 HE2 HIS 93 HE2 HIS 93 19.318 12.365 -5.265
555 H LYS 94 H LYS 94 16.067 12.116 1.359
556 HA LYS 94 HA LYS 94 13.662 12.579 0.047
557 1HB LYS 94 1HB LYS 94 14.188 12.762 2.577
558 2HB LYS 94 2HB LYS 94 14.531 14.449 2.207
559 1HG LYS 94 1HG LYS 94 12.280 14.642 1.184
560 2HG LYS 94 2HG LYS 94 11.938 12.996 1.705
561 1HD LYS 94 1HD LYS 94 12.484 13.779 4.062
562 2HD LYS 94 2HD LYS 94 12.431 15.420 3.416
563 1HE LYS 94 1HE LYS 94 10.111 14.404 2.439
564 2HE LYS 94 2HE LYS 94 10.247 13.526 3.965
565 1HZ LYS 94 1HZ LYS 94 10.755 15.904 4.880
566 2HZ LYS 94 2HZ LYS 94 9.160 15.401 4.637
567 3HZ LYS 94 3HZ LYS 94 9.911 16.402 3.499
568 H LYS 95 H LYS 95 13.050 13.819 -1.449
569 HA LYS 95 HA LYS 95 14.667 15.953 -2.445
570 1HB LYS 95 1HB LYS 95 12.183 14.551 -3.273
571 2HB LYS 95 2HB LYS 95 12.495 16.149 -3.917
572 1HG LYS 95 1HG LYS 95 14.665 14.144 -4.037
573 2HG LYS 95 2HG LYS 95 13.316 13.993 -5.162
574 1HD LYS 95 1HD LYS 95 14.367 16.710 -4.942
575 2HD LYS 95 2HD LYS 95 15.548 15.544 -5.539
576 1HE LYS 95 1HE LYS 95 13.777 14.782 -7.175
577 2HE LYS 95 2HE LYS 95 12.846 16.198 -6.690
578 1HZ LYS 95 1HZ LYS 95 14.714 16.126 -8.661
579 2HZ LYS 95 2HZ LYS 95 15.560 16.826 -7.375
580 3HZ LYS 95 3HZ LYS 95 14.121 17.528 -7.920
581 H SER 96 H SER 96 11.181 16.039 -2.050
582 HA SER 96 HA SER 96 11.372 18.725 -0.927
583 1HB SER 96 1HB SER 96 9.594 17.503 -2.711
584 2HB SER 96 2HB SER 96 8.663 17.760 -1.236
585 HG SER 96 HG SER 96 9.269 19.539 -3.065
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