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 |
|
|
9474 |
1nyp   |
5692 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1HT GLY 1 6.754 29.893 1.773
2 2H GLY 1 2HT GLY 1 5.734 31.036 1.038
3 3H GLY 1 3HT GLY 1 6.274 29.686 0.159
4 1HA GLY 1 2HA GLY 1 4.980 28.832 2.525
5 2HA GLY 1 1HA GLY 1 3.930 29.912 1.606
6 H SER 2 H SER 2 6.342 27.424 0.691
7 HA SER 2 HA SER 2 4.652 26.551 -1.525
8 1HB SER 2 2HB SER 2 7.074 25.107 -0.433
9 2HB SER 2 1HB SER 2 6.430 25.059 -2.072
10 HG SER 2 HG SER 2 8.224 26.726 -1.037
11 H MET 3 H MET 3 3.782 24.363 -1.709
12 HA MET 3 HA MET 3 2.224 23.495 0.444
13 1HB MET 3 2HB MET 3 3.387 21.587 -1.593
14 2HB MET 3 1HB MET 3 1.819 21.495 -0.791
15 1HG MET 3 2HG MET 3 1.240 23.700 -1.918
16 2HG MET 3 1HG MET 3 2.703 23.495 -2.882
17 1HE MET 3 1HE MET 3 0.813 22.321 -5.798
18 2HE MET 3 2HE MET 3 2.315 22.978 -5.151
19 3HE MET 3 3HE MET 3 0.794 23.809 -4.843
20 H GLY 4 H GLY 4 2.478 21.340 1.634
21 1HA GLY 4 2HA GLY 4 5.126 20.261 2.047
22 2HA GLY 4 1HA GLY 4 4.688 21.365 3.351
23 H VAL 5 H VAL 5 2.698 19.040 1.508
24 HA VAL 5 HA VAL 5 2.402 17.337 3.885
25 HB VAL 5 HB VAL 5 0.280 19.214 2.923
26 1HG1 VAL 5 1HG1 VAL 5 -0.913 17.261 2.407
27 2HG1 VAL 5 2HG1 VAL 5 -1.361 17.562 4.090
28 3HG1 VAL 5 3HG1 VAL 5 -0.157 16.341 3.709
29 1HG2 VAL 5 1HG2 VAL 5 1.253 19.690 5.068
30 2HG2 VAL 5 2HG2 VAL 5 1.084 18.010 5.582
31 3HG2 VAL 5 3HG2 VAL 5 -0.352 19.017 5.371
32 HA PRO 6 HA PRO 6 1.975 14.561 0.431
33 1HB PRO 6 2HB PRO 6 1.545 12.332 2.129
34 2HB PRO 6 1HB PRO 6 3.096 12.857 1.469
35 1HG PRO 6 2HG PRO 6 2.208 13.010 4.216
36 2HG PRO 6 1HG PRO 6 3.777 13.458 3.541
37 1HD PRO 6 2HD PRO 6 1.622 15.198 4.406
38 2HD PRO 6 1HD PRO 6 3.243 15.631 3.860
39 H ILE 7 H ILE 7 0.292 13.066 -0.325
40 HA ILE 7 HA ILE 7 -2.288 13.401 1.107
41 HB ILE 7 HB ILE 7 -1.668 14.148 -1.744
42 1HG1 ILE 7 2HG1 ILE 7 -3.282 15.430 0.463
43 2HG1 ILE 7 1HG1 ILE 7 -1.593 15.788 0.166
44 1HG2 ILE 7 1HG2 ILE 7 -4.272 13.244 -0.510
45 2HG2 ILE 7 2HG2 ILE 7 -3.546 12.724 -2.031
46 3HG2 ILE 7 3HG2 ILE 7 -4.241 14.339 -1.892
47 1HD1 ILE 7 1HD1 ILE 7 -3.631 16.060 -2.033
48 2HD1 ILE 7 2HD1 ILE 7 -2.062 16.852 -1.873
49 3HD1 ILE 7 3HD1 ILE 7 -3.411 17.347 -0.845
50 H CYS 8 H CYS 8 -3.097 11.497 1.468
51 HA CYS 8 HA CYS 8 -2.050 9.087 0.479
52 1HB CYS 8 2HB CYS 8 -3.291 9.064 2.522
53 2HB CYS 8 1HB CYS 8 -4.715 9.729 1.733
54 H GLY 9 H GLY 9 -2.131 8.332 -1.513
55 1HA GLY 9 2HA GLY 9 -3.850 9.356 -3.546
56 2HA GLY 9 1HA GLY 9 -2.876 7.895 -3.693
57 H ALA 10 H ALA 10 -4.649 7.500 -0.955
58 HA ALA 10 HA ALA 10 -6.523 5.698 -2.334
59 1HB ALA 10 1HB ALA 10 -6.619 6.131 0.623
60 2HB ALA 10 2HB ALA 10 -5.187 5.358 -0.049
61 3HB ALA 10 3HB ALA 10 -6.773 4.634 -0.296
62 H CYS 11 H CYS 11 -6.717 8.455 -0.095
63 HA CYS 11 HA CYS 11 -9.548 8.861 -0.996
64 1HB CYS 11 2HB CYS 11 -9.625 10.219 1.233
65 2HB CYS 11 1HB CYS 11 -9.681 8.458 1.320
66 H ARG 12 H ARG 12 -6.533 9.959 -1.570
67 HA ARG 12 HA ARG 12 -5.649 11.993 -2.307
68 1HB ARG 12 2HB ARG 12 -8.589 12.278 -2.960
69 2HB ARG 12 1HB ARG 12 -7.428 13.539 -3.359
70 1HG ARG 12 2HG ARG 12 -6.850 10.698 -4.154
71 2HG ARG 12 1HG ARG 12 -7.973 11.645 -5.119
72 1HD ARG 12 2HD ARG 12 -5.078 12.280 -4.519
73 2HD ARG 12 1HD ARG 12 -5.777 11.917 -6.091
74 HE ARG 12 HE ARG 12 -5.575 14.503 -4.942
75 1HH1 ARG 12 1HH2 ARG 12 -7.967 12.483 -6.406
76 2HH1 ARG 12 2HH2 ARG 12 -9.019 13.802 -6.792
77 1HH2 ARG 12 1HH1 ARG 12 -6.929 16.216 -5.456
78 2HH2 ARG 12 2HH1 ARG 12 -8.430 15.909 -6.261
79 H ARG 13 H ARG 13 -6.105 11.771 0.456
80 HA ARG 13 HA ARG 13 -7.008 14.530 1.179
81 1HB ARG 13 2HB ARG 13 -7.180 11.895 2.616
82 2HB ARG 13 1HB ARG 13 -7.123 13.390 3.549
83 1HG ARG 13 2HG ARG 13 -9.049 14.238 2.178
84 2HG ARG 13 1HG ARG 13 -9.162 12.642 1.435
85 1HD ARG 13 2HD ARG 13 -9.319 11.719 3.825
86 2HD ARG 13 1HD ARG 13 -9.598 13.386 4.329
87 HE ARG 13 HE ARG 13 -11.439 12.995 2.297
88 1HH1 ARG 13 1HH2 ARG 13 -10.562 11.393 5.221
89 2HH1 ARG 13 2HH2 ARG 13 -12.158 10.792 5.527
90 1HH2 ARG 13 1HH1 ARG 13 -13.527 12.220 2.679
91 2HH2 ARG 13 2HH1 ARG 13 -13.836 11.260 4.087
92 HA PRO 14 HA PRO 14 -2.818 15.407 2.193
93 1HB PRO 14 2HB PRO 14 -3.551 16.976 4.511
94 2HB PRO 14 1HB PRO 14 -3.003 17.542 2.930
95 1HG PRO 14 2HG PRO 14 -5.644 17.711 3.985
96 2HG PRO 14 1HG PRO 14 -5.086 18.181 2.371
97 1HD PRO 14 2HD PRO 14 -6.727 15.901 3.082
98 2HD PRO 14 1HD PRO 14 -6.192 16.411 1.468
99 H ILE 15 H ILE 15 -1.660 13.747 3.052
100 HA ILE 15 HA ILE 15 -2.554 12.304 5.410
101 HB ILE 15 HB ILE 15 0.126 12.282 3.980
102 1HG1 ILE 15 2HG1 ILE 15 -1.862 10.052 3.906
103 2HG1 ILE 15 1HG1 ILE 15 -2.191 11.479 2.928
104 1HG2 ILE 15 1HG2 ILE 15 0.152 9.947 5.176
105 2HG2 ILE 15 2HG2 ILE 15 -0.994 10.702 6.282
106 3HG2 ILE 15 3HG2 ILE 15 0.620 11.382 6.092
107 1HD1 ILE 15 1HD1 ILE 15 0.563 10.315 2.814
108 2HD1 ILE 15 2HD1 ILE 15 -0.360 11.137 1.558
109 3HD1 ILE 15 3HD1 ILE 15 -0.733 9.463 1.970
110 H GLU 16 H GLU 16 -1.322 12.231 7.492
111 HA GLU 16 HA GLU 16 0.514 14.457 8.032
112 1HB GLU 16 2HB GLU 16 -1.094 15.300 9.903
113 2HB GLU 16 1HB GLU 16 -1.387 15.813 8.242
114 1HG GLU 16 2HG GLU 16 -3.158 14.264 7.954
115 2HG GLU 16 1HG GLU 16 -2.693 13.342 9.384
116 H GLY 17 H GLY 17 1.333 12.053 8.413
117 1HA GLY 17 2HA GLY 17 1.841 11.788 11.215
118 2HA GLY 17 1HA GLY 17 0.647 10.583 10.726
119 H ARG 18 H ARG 18 1.323 8.830 9.607
120 HA ARG 18 HA ARG 18 4.207 8.732 8.811
121 1HB ARG 18 2HB ARG 18 2.342 6.569 9.811
122 2HB ARG 18 1HB ARG 18 3.871 6.212 9.005
123 1HG ARG 18 2HG ARG 18 4.974 7.749 10.716
124 2HG ARG 18 1HG ARG 18 3.449 7.695 11.597
125 1HD ARG 18 2HD ARG 18 3.907 5.028 11.059
126 2HD ARG 18 1HD ARG 18 5.537 5.633 11.336
127 HE ARG 18 HE ARG 18 3.743 5.040 13.388
128 1HH1 ARG 18 1HH2 ARG 18 5.436 7.839 12.273
129 2HH1 ARG 18 2HH2 ARG 18 5.416 8.620 13.817
130 1HH2 ARG 18 1HH1 ARG 18 3.723 6.046 15.399
131 2HH2 ARG 18 2HH1 ARG 18 4.452 7.606 15.584
132 H VAL 19 H VAL 19 4.437 8.757 6.667
133 HA VAL 19 HA VAL 19 2.079 8.154 4.967
134 HB VAL 19 HB VAL 19 4.738 9.405 4.233
135 1HG1 VAL 19 1HG1 VAL 19 2.937 10.315 2.424
136 2HG1 VAL 19 2HG1 VAL 19 2.258 8.720 2.737
137 3HG1 VAL 19 3HG1 VAL 19 3.917 8.872 2.156
138 1HG2 VAL 19 1HG2 VAL 19 3.083 10.573 5.941
139 2HG2 VAL 19 2HG2 VAL 19 2.159 10.914 4.480
140 3HG2 VAL 19 3HG2 VAL 19 3.814 11.503 4.634
141 H VAL 20 H VAL 20 2.345 6.914 3.002
142 HA VAL 20 HA VAL 20 4.571 4.919 3.129
143 HB VAL 20 HB VAL 20 1.629 4.525 2.615
144 1HG1 VAL 20 1HG1 VAL 20 2.510 2.141 1.872
145 2HG1 VAL 20 2HG1 VAL 20 3.957 3.045 1.420
146 3HG1 VAL 20 3HG1 VAL 20 2.401 3.446 0.692
147 1HG2 VAL 20 1HG2 VAL 20 3.624 2.785 4.077
148 2HG2 VAL 20 2HG2 VAL 20 1.868 2.770 4.218
149 3HG2 VAL 20 3HG2 VAL 20 2.792 4.127 4.858
150 H ASN 21 H ASN 21 5.861 5.313 1.399
151 HA ASN 21 HA ASN 21 4.730 6.732 -0.923
152 1HB ASN 21 2HB ASN 21 7.539 5.894 -0.211
153 2HB ASN 21 1HB ASN 21 7.123 6.737 -1.700
154 1HD2 ASN 21 1HD2 ASN 21 5.333 7.466 1.236
155 2HD2 ASN 21 2HD2 ASN 21 6.017 8.998 1.497
156 H ALA 22 H ALA 22 3.627 5.403 -2.267
157 HA ALA 22 HA ALA 22 5.096 3.096 -3.425
158 1HB ALA 22 1HB ALA 22 3.613 2.258 -1.558
159 2HB ALA 22 2HB ALA 22 3.217 1.595 -3.143
160 3HB ALA 22 3HB ALA 22 2.231 2.887 -2.457
161 H MET 23 H MET 23 4.118 2.445 -5.521
162 HA MET 23 HA MET 23 3.237 3.020 -7.618
163 1HB MET 23 2HB MET 23 1.258 4.742 -6.124
164 2HB MET 23 1HB MET 23 1.024 3.898 -7.651
165 1HG MET 23 2HG MET 23 1.568 2.399 -5.082
166 2HG MET 23 1HG MET 23 -0.062 2.854 -5.564
167 1HE MET 23 1HE MET 23 2.209 0.240 -5.310
168 2HE MET 23 2HE MET 23 1.514 -0.995 -6.359
169 3HE MET 23 3HE MET 23 0.506 -0.210 -5.142
170 H GLY 24 H GLY 24 5.051 4.802 -5.928
171 1HA GLY 24 2HA GLY 24 6.261 6.781 -6.369
172 2HA GLY 24 1HA GLY 24 5.364 6.904 -7.883
173 H LYS 25 H LYS 25 3.654 6.509 -4.925
174 HA LYS 25 HA LYS 25 2.872 9.401 -4.910
175 1HB LYS 25 2HB LYS 25 1.081 6.969 -4.614
176 2HB LYS 25 1HB LYS 25 0.558 8.634 -4.397
177 1HG LYS 25 2HG LYS 25 1.886 8.564 -6.901
178 2HG LYS 25 1HG LYS 25 0.852 7.136 -6.858
179 1HD LYS 25 2HD LYS 25 -1.040 8.642 -6.114
180 2HD LYS 25 1HD LYS 25 0.015 10.017 -6.441
181 1HE LYS 25 2HE LYS 25 -0.657 7.890 -8.491
182 2HE LYS 25 1HE LYS 25 -1.515 9.425 -8.354
183 1HZ LYS 25 1HZ LYS 25 1.419 9.211 -8.725
184 2HZ LYS 25 2HZ LYS 25 0.468 10.616 -8.817
185 3HZ LYS 25 3HZ LYS 25 0.325 9.410 -10.005
186 H GLN 26 H GLN 26 1.023 8.968 -2.780
187 HA GLN 26 HA GLN 26 2.729 8.073 -0.504
188 1HB GLN 26 2HB GLN 26 1.330 10.723 -0.926
189 2HB GLN 26 1HB GLN 26 1.699 10.141 0.691
190 1HG GLN 26 2HG GLN 26 3.967 10.456 0.436
191 2HG GLN 26 1HG GLN 26 3.940 9.987 -1.259
192 1HE2 GLN 26 1HE2 GLN 26 1.523 12.294 -0.859
193 2HE2 GLN 26 2HE2 GLN 26 2.407 13.674 -1.292
194 H TRP 27 H TRP 27 1.410 7.067 1.149
195 HA TRP 27 HA TRP 27 -1.541 7.126 0.669
196 1HB TRP 27 2HB TRP 27 0.099 4.602 1.007
197 2HB TRP 27 1HB TRP 27 -1.644 4.692 0.763
198 HD1 TRP 27 HD TRP 27 1.675 5.311 -1.061
199 HE1 TRP 27 1HE TRP 27 1.224 5.329 -3.601
200 HE3 TRP 27 3HE TRP 27 -3.397 5.004 -1.037
201 HZ2 TRP 27 2HZ TRP 27 -1.018 5.225 -5.386
202 HZ3 TRP 27 3HZ TRP 27 -4.676 4.964 -3.148
203 HH2 TRP 27 HH TRP 27 -3.496 5.075 -5.327
204 H HIS 28 H HIS 28 -2.761 6.991 2.577
205 HA HIS 28 HA HIS 28 -1.488 7.494 5.090
206 1HB HIS 28 2HB HIS 28 -4.214 6.401 4.362
207 2HB HIS 28 1HB HIS 28 -3.703 6.487 6.044
208 HD2 HIS 28 2HD HIS 28 -2.744 9.333 6.640
209 HE1 HIS 28 1HE HIS 28 -5.688 10.891 4.045
210 HE2 HIS 28 2HE HIS 28 -4.061 11.466 5.909
211 H VAL 29 H VAL 29 -0.494 6.048 6.485
212 HA VAL 29 HA VAL 29 0.254 3.462 5.679
213 HB VAL 29 HB VAL 29 0.022 4.801 8.371
214 1HG1 VAL 29 1HG1 VAL 29 0.720 1.927 7.763
215 2HG1 VAL 29 2HG1 VAL 29 -0.398 2.551 8.975
216 3HG1 VAL 29 3HG1 VAL 29 1.341 2.748 9.197
217 1HG2 VAL 29 1HG2 VAL 29 1.829 5.266 6.581
218 2HG2 VAL 29 2HG2 VAL 29 2.452 3.664 6.991
219 3HG2 VAL 29 3HG2 VAL 29 2.374 4.919 8.221
220 H GLU 30 H GLU 30 -2.738 4.636 6.753
221 HA GLU 30 HA GLU 30 -3.705 1.990 7.630
222 1HB GLU 30 2HB GLU 30 -4.389 3.826 9.024
223 2HB GLU 30 1HB GLU 30 -4.948 4.749 7.629
224 1HG GLU 30 2HG GLU 30 -6.801 3.655 8.921
225 2HG GLU 30 1HG GLU 30 -6.745 3.169 7.228
226 H HIS 31 H HIS 31 -3.952 4.178 4.883
227 HA HIS 31 HA HIS 31 -6.139 2.512 3.738
228 1HB HIS 31 2HB HIS 31 -4.917 5.113 2.761
229 2HB HIS 31 1HB HIS 31 -6.247 4.263 1.981
230 HD2 HIS 31 2HD HIS 31 -7.745 3.529 4.976
231 HE1 HIS 31 1HE HIS 31 -8.206 7.718 5.137
232 HE2 HIS 31 2HE HIS 31 -9.009 5.512 6.096
233 H PHE 32 H PHE 32 -2.770 2.548 3.674
234 HA PHE 32 HA PHE 32 -2.559 1.740 0.859
235 1HB PHE 32 2HB PHE 32 -0.652 2.842 2.196
236 2HB PHE 32 1HB PHE 32 -0.451 1.273 2.980
237 HD1 PHE 32 1HD PHE 32 1.153 -0.132 2.026
238 HD2 PHE 32 2HD PHE 32 -1.029 2.566 -0.512
239 HE1 PHE 32 1HE PHE 32 2.388 -0.975 0.047
240 HE2 PHE 32 2HE PHE 32 0.205 1.717 -2.476
241 HZ PHE 32 HZ PHE 32 1.915 -0.055 -2.199
242 H VAL 33 H VAL 33 -3.579 -0.124 0.417
243 HA VAL 33 HA VAL 33 -3.046 -2.469 2.189
244 HB VAL 33 HB VAL 33 -5.366 -3.167 1.855
245 1HG1 VAL 33 1HG1 VAL 33 -5.687 -2.000 3.757
246 2HG1 VAL 33 2HG1 VAL 33 -6.288 -0.682 2.757
247 3HG1 VAL 33 3HG1 VAL 33 -4.596 -0.714 3.242
248 1HG2 VAL 33 1HG2 VAL 33 -6.942 -1.520 0.765
249 2HG2 VAL 33 2HG2 VAL 33 -5.781 -2.253 -0.344
250 3HG2 VAL 33 3HG2 VAL 33 -5.525 -0.607 0.243
251 H CYS 34 H CYS 34 -3.837 -4.497 1.060
252 HA CYS 34 HA CYS 34 -2.374 -4.907 -1.359
253 1HB CYS 34 2HB CYS 34 -2.737 -6.809 -0.051
254 2HB CYS 34 1HB CYS 34 -4.439 -6.456 0.182
255 H ALA 35 H ALA 35 -3.155 -5.157 -3.509
256 HA ALA 35 HA ALA 35 -5.629 -3.635 -4.062
257 1HB ALA 35 1HB ALA 35 -3.357 -3.329 -5.249
258 2HB ALA 35 2HB ALA 35 -4.801 -3.414 -6.265
259 3HB ALA 35 3HB ALA 35 -3.755 -4.823 -6.099
260 H LYS 36 H LYS 36 -5.688 -6.404 -2.936
261 HA LYS 36 HA LYS 36 -7.445 -7.606 -5.028
262 1HB LYS 36 2HB LYS 36 -5.233 -8.759 -5.096
263 2HB LYS 36 1HB LYS 36 -5.415 -9.169 -3.397
264 1HG LYS 36 2HG LYS 36 -6.094 -11.052 -4.823
265 2HG LYS 36 1HG LYS 36 -7.474 -10.425 -3.925
266 1HD LYS 36 2HD LYS 36 -8.479 -9.536 -5.812
267 2HD LYS 36 1HD LYS 36 -6.941 -9.261 -6.630
268 1HE LYS 36 2HE LYS 36 -7.892 -12.067 -6.089
269 2HE LYS 36 1HE LYS 36 -8.487 -11.178 -7.491
270 1HZ LYS 36 1HZ LYS 36 -6.040 -10.718 -7.952
271 2HZ LYS 36 2HZ LYS 36 -6.613 -12.288 -8.262
272 3HZ LYS 36 3HZ LYS 36 -5.714 -11.971 -6.856
273 H CYS 37 H CYS 37 -6.537 -7.324 -1.636
274 HA CYS 37 HA CYS 37 -9.257 -8.362 -0.905
275 1HB CYS 37 2HB CYS 37 -8.263 -9.393 1.078
276 2HB CYS 37 1HB CYS 37 -7.440 -9.976 -0.366
277 H GLU 38 H GLU 38 -6.914 -5.866 -0.618
278 HA GLU 38 HA GLU 38 -7.063 -3.800 0.415
279 1HB GLU 38 2HB GLU 38 -9.728 -4.556 1.599
280 2HB GLU 38 1HB GLU 38 -9.143 -2.964 1.124
281 1HG GLU 38 2HG GLU 38 -9.010 -4.097 -1.280
282 2HG GLU 38 1HG GLU 38 -10.227 -5.170 -0.591
283 H LYS 39 H LYS 39 -5.605 -5.732 1.668
284 HA LYS 39 HA LYS 39 -6.363 -5.561 4.542
285 1HB LYS 39 2HB LYS 39 -5.663 -7.776 3.405
286 2HB LYS 39 1HB LYS 39 -4.028 -7.117 3.434
287 1HG LYS 39 2HG LYS 39 -5.568 -6.952 5.984
288 2HG LYS 39 1HG LYS 39 -5.062 -8.554 5.478
289 1HD LYS 39 2HD LYS 39 -2.730 -7.759 5.271
290 2HD LYS 39 1HD LYS 39 -3.239 -6.155 5.799
291 1HE LYS 39 2HE LYS 39 -2.274 -7.573 7.643
292 2HE LYS 39 1HE LYS 39 -3.914 -7.009 7.960
293 1HZ LYS 39 1HZ LYS 39 -4.803 -9.095 7.418
294 2HZ LYS 39 2HZ LYS 39 -3.457 -9.434 8.399
295 3HZ LYS 39 3HZ LYS 39 -3.357 -9.635 6.714
296 HA PRO 40 HA PRO 40 -3.436 -2.137 4.317
297 1HB PRO 40 2HB PRO 40 -3.913 -1.453 7.000
298 2HB PRO 40 1HB PRO 40 -4.649 -0.703 5.601
299 1HG PRO 40 2HG PRO 40 -5.853 -2.473 7.548
300 2HG PRO 40 1HG PRO 40 -6.645 -1.612 6.232
301 1HD PRO 40 2HD PRO 40 -6.050 -4.424 6.396
302 2HD PRO 40 1HD PRO 40 -6.807 -3.564 5.047
303 H PHE 41 H PHE 41 -1.345 -2.023 4.822
304 HA PHE 41 HA PHE 41 -0.242 -4.048 6.717
305 1HB PHE 41 2HB PHE 41 1.513 -2.226 5.113
306 2HB PHE 41 1HB PHE 41 1.777 -3.900 5.584
307 HD1 PHE 41 1HD PHE 41 -0.157 -1.695 3.310
308 HD2 PHE 41 2HD PHE 41 1.072 -5.705 4.216
309 HE1 PHE 41 1HE PHE 41 -1.012 -2.456 1.107
310 HE2 PHE 41 2HE PHE 41 0.215 -6.464 2.026
311 HZ PHE 41 HZ PHE 41 -0.826 -4.848 0.465
312 H LEU 42 H LEU 42 -1.475 -2.247 8.215
313 HA LEU 42 HA LEU 42 -0.487 0.226 8.879
314 1HB LEU 42 2HB LEU 42 -1.391 -2.079 10.575
315 2HB LEU 42 1HB LEU 42 -0.707 -0.666 11.374
316 HG LEU 42 HG LEU 42 -2.349 0.784 10.226
317 1HD1 LEU 42 1HD1 LEU 42 -2.651 -0.371 8.182
318 2HD1 LEU 42 2HD1 LEU 42 -4.217 -0.408 8.998
319 3HD1 LEU 42 3HD1 LEU 42 -3.181 -1.839 9.006
320 1HD2 LEU 42 1HD2 LEU 42 -3.157 0.046 12.333
321 2HD2 LEU 42 2HD2 LEU 42 -3.388 -1.605 11.756
322 3HD2 LEU 42 3HD2 LEU 42 -4.473 -0.322 11.217
323 H GLY 43 H GLY 43 0.900 -2.812 10.109
324 1HA GLY 43 2HA GLY 43 3.580 -1.493 10.148
325 2HA GLY 43 1HA GLY 43 3.016 -2.383 11.561
326 H HIS 44 H HIS 44 2.263 -3.380 8.292
327 HA HIS 44 HA HIS 44 4.030 -5.772 8.694
328 1HB HIS 44 2HB HIS 44 1.686 -5.842 6.827
329 2HB HIS 44 1HB HIS 44 2.397 -7.143 7.782
330 HD1 HIS 44 1HD HIS 44 -0.689 -5.893 7.713
331 HD2 HIS 44 2HD HIS 44 2.144 -5.676 10.762
332 HE1 HIS 44 1HE HIS 44 -1.974 -5.485 9.856
333 H ARG 45 H ARG 45 4.368 -6.849 6.374
334 HA ARG 45 HA ARG 45 5.633 -4.740 4.711
335 1HB ARG 45 2HB ARG 45 7.129 -6.529 5.168
336 2HB ARG 45 1HB ARG 45 5.894 -7.749 4.863
337 1HG ARG 45 2HG ARG 45 5.944 -7.360 2.510
338 2HG ARG 45 1HG ARG 45 6.865 -5.868 2.703
339 1HD ARG 45 2HD ARG 45 8.741 -7.259 3.675
340 2HD ARG 45 1HD ARG 45 7.829 -8.695 3.207
341 HE ARG 45 HE ARG 45 7.976 -7.216 0.870
342 1HH1 ARG 45 1HH2 ARG 45 10.196 -8.391 3.231
343 2HH1 ARG 45 2HH2 ARG 45 11.502 -8.573 2.106
344 1HH2 ARG 45 1HH1 ARG 45 9.667 -7.448 -0.612
345 2HH2 ARG 45 2HH1 ARG 45 11.202 -8.039 -0.070
346 H HIS 46 H HIS 46 5.088 -4.448 2.511
347 HA HIS 46 HA HIS 46 2.598 -5.860 1.622
348 1HB HIS 46 2HB HIS 46 2.339 -3.797 0.115
349 2HB HIS 46 1HB HIS 46 2.010 -3.582 1.827
350 HD1 HIS 46 1HD HIS 46 3.791 -2.269 3.237
351 HD2 HIS 46 2HD HIS 46 4.653 -2.475 -0.839
352 HE1 HIS 46 1HE HIS 46 5.645 -0.595 2.811
353 H TYR 47 H TYR 47 2.424 -5.894 -0.812
354 HA TYR 47 HA TYR 47 5.094 -6.272 -2.098
355 1HB TYR 47 2HB TYR 47 2.725 -8.118 -2.427
356 2HB TYR 47 1HB TYR 47 4.372 -8.390 -2.966
357 HD1 TYR 47 1HD TYR 47 5.866 -9.563 -1.562
358 HD2 TYR 47 2HD TYR 47 2.408 -7.677 0.152
359 HE1 TYR 47 1HE TYR 47 6.443 -10.485 0.666
360 HE2 TYR 47 2HE TYR 47 3.001 -8.598 2.367
361 HH TYR 47 HH TYR 47 5.977 -9.780 3.121
362 H GLU 48 H GLU 48 5.187 -5.483 -4.193
363 HA GLU 48 HA GLU 48 2.700 -4.179 -5.218
364 1HB GLU 48 2HB GLU 48 5.633 -3.586 -5.483
365 2HB GLU 48 1HB GLU 48 4.501 -2.974 -6.690
366 1HG GLU 48 2HG GLU 48 3.248 -1.779 -5.029
367 2HG GLU 48 1HG GLU 48 4.128 -2.558 -3.715
368 H ARG 49 H ARG 49 2.075 -4.406 -7.367
369 HA ARG 49 HA ARG 49 3.628 -6.171 -9.152
370 1HB ARG 49 2HB ARG 49 2.208 -7.710 -7.802
371 2HB ARG 49 1HB ARG 49 0.784 -6.868 -8.396
372 1HG ARG 49 2HG ARG 49 2.380 -7.492 -10.674
373 2HG ARG 49 1HG ARG 49 2.286 -8.952 -9.696
374 1HD ARG 49 2HD ARG 49 0.416 -8.703 -11.366
375 2HD ARG 49 1HD ARG 49 -0.116 -8.893 -9.700
376 HE ARG 49 HE ARG 49 0.033 -6.145 -10.052
377 1HH1 ARG 49 1HH2 ARG 49 -1.473 -8.810 -11.639
378 2HH1 ARG 49 2HH2 ARG 49 -2.829 -7.886 -12.194
379 1HH2 ARG 49 1HH1 ARG 49 -1.730 -4.922 -10.768
380 2HH2 ARG 49 2HH1 ARG 49 -2.974 -5.684 -11.701
381 H LYS 50 H LYS 50 3.454 -5.431 -11.181
382 HA LYS 50 HA LYS 50 2.793 -4.098 -12.974
383 1HB LYS 50 2HB LYS 50 0.117 -5.053 -11.929
384 2HB LYS 50 1HB LYS 50 0.316 -4.196 -13.456
385 1HG LYS 50 2HG LYS 50 2.044 -6.000 -14.059
386 2HG LYS 50 1HG LYS 50 1.404 -6.908 -12.689
387 1HD LYS 50 2HD LYS 50 -0.847 -6.839 -13.664
388 2HD LYS 50 1HD LYS 50 -0.245 -5.882 -15.019
389 1HE LYS 50 2HE LYS 50 0.860 -8.614 -14.327
390 2HE LYS 50 1HE LYS 50 -0.470 -8.380 -15.462
391 1HZ LYS 50 1HZ LYS 50 0.872 -7.393 -16.985
392 2HZ LYS 50 2HZ LYS 50 2.019 -8.411 -16.253
393 3HZ LYS 50 3HZ LYS 50 1.942 -6.767 -15.827
394 H GLY 51 H GLY 51 2.977 -2.917 -10.201
395 1HA GLY 51 2HA GLY 51 2.888 -0.612 -9.606
396 2HA GLY 51 1HA GLY 51 1.814 -0.337 -10.971
397 H LEU 52 H LEU 52 1.280 -2.867 -8.641
398 HA LEU 52 HA LEU 52 -0.801 -1.271 -7.267
399 1HB LEU 52 2HB LEU 52 -1.275 -3.742 -8.910
400 2HB LEU 52 1HB LEU 52 -2.299 -3.411 -7.517
401 HG LEU 52 HG LEU 52 -1.831 -1.531 -9.851
402 1HD1 LEU 52 1HD1 LEU 52 -3.998 -2.145 -10.608
403 2HD1 LEU 52 2HD1 LEU 52 -4.386 -2.952 -9.088
404 3HD1 LEU 52 3HD1 LEU 52 -3.220 -3.675 -10.195
405 1HD2 LEU 52 1HD2 LEU 52 -2.429 -0.014 -8.240
406 2HD2 LEU 52 2HD2 LEU 52 -3.110 -1.249 -7.180
407 3HD2 LEU 52 3HD2 LEU 52 -4.054 -0.633 -8.538
408 H ALA 53 H ALA 53 -1.122 -1.929 -5.151
409 HA ALA 53 HA ALA 53 0.984 -3.576 -4.026
410 1HB ALA 53 1HB ALA 53 -0.322 -3.206 -1.870
411 2HB ALA 53 2HB ALA 53 -1.460 -2.258 -2.836
412 3HB ALA 53 3HB ALA 53 0.222 -1.737 -2.691
413 H TYR 54 H TYR 54 0.712 -5.519 -2.842
414 HA TYR 54 HA TYR 54 -1.864 -6.910 -2.961
415 1HB TYR 54 2HB TYR 54 0.565 -7.808 -4.509
416 2HB TYR 54 1HB TYR 54 -0.685 -8.934 -4.000
417 HD1 TYR 54 1HD TYR 54 0.225 -6.307 -6.301
418 HD2 TYR 54 2HD TYR 54 -3.048 -8.600 -4.751
419 HE1 TYR 54 1HE TYR 54 -1.148 -5.618 -8.209
420 HE2 TYR 54 2HE TYR 54 -4.449 -7.881 -6.692
421 HH TYR 54 HH TYR 54 -3.755 -7.055 -9.244
422 H CYS 55 H CYS 55 -1.996 -8.404 -1.253
423 HA CYS 55 HA CYS 55 -0.110 -8.178 0.845
424 1HB CYS 55 2HB CYS 55 -2.035 -10.441 0.212
425 2HB CYS 55 1HB CYS 55 -1.118 -10.330 1.711
426 H GLU 56 H GLU 56 1.032 -10.356 1.663
427 HA GLU 56 HA GLU 56 3.120 -11.002 -0.194
428 1HB GLU 56 2HB GLU 56 3.240 -11.209 2.337
429 2HB GLU 56 1HB GLU 56 2.264 -12.662 2.192
430 1HG GLU 56 2HG GLU 56 3.940 -13.807 0.968
431 2HG GLU 56 1HG GLU 56 4.826 -12.321 0.632
432 H THR 57 H THR 57 0.107 -12.604 0.689
433 HA THR 57 HA THR 57 0.700 -14.945 -0.973
434 HB THR 57 HB THR 57 -1.764 -14.164 0.599
435 HG1 THR 57 1HG THR 57 -0.376 -16.380 1.320
436 1HG2 THR 57 1HG2 THR 57 -1.077 -16.629 -1.007
437 2HG2 THR 57 2HG2 THR 57 -2.506 -15.606 -1.148
438 3HG2 THR 57 3HG2 THR 57 -2.299 -16.640 0.265
439 H HIS 58 H HIS 58 -1.600 -12.211 -1.119
440 HA HIS 58 HA HIS 58 -2.824 -13.164 -3.523
441 1HB HIS 58 2HB HIS 58 -2.641 -10.353 -2.412
442 2HB HIS 58 1HB HIS 58 -3.707 -10.856 -3.721
443 HD2 HIS 58 2HD HIS 58 -4.778 -13.689 -2.411
444 HE1 HIS 58 1HE HIS 58 -6.083 -11.322 0.829
445 HE2 HIS 58 2HE HIS 58 -6.317 -13.575 -0.312
446 H TYR 59 H TYR 59 -0.166 -10.905 -2.875
447 HA TYR 59 HA TYR 59 0.395 -10.105 -5.493
448 1HB TYR 59 2HB TYR 59 1.673 -9.239 -3.626
449 2HB TYR 59 1HB TYR 59 2.225 -10.841 -3.189
450 HD1 TYR 59 1HD TYR 59 1.956 -9.479 -6.634
451 HD2 TYR 59 2HD TYR 59 4.585 -10.591 -3.425
452 HE1 TYR 59 1HE TYR 59 3.883 -9.248 -8.128
453 HE2 TYR 59 2HE TYR 59 6.530 -10.341 -4.939
454 HH TYR 59 HH TYR 59 6.711 -10.524 -7.734
455 H ASN 60 H ASN 60 1.711 -12.812 -3.668
456 HA ASN 60 HA ASN 60 2.949 -14.041 -5.905
457 1HB ASN 60 2HB ASN 60 2.140 -15.047 -3.183
458 2HB ASN 60 1HB ASN 60 2.839 -16.135 -4.381
459 1HD2 ASN 60 1HD2 ASN 60 3.544 -13.469 -2.199
460 2HD2 ASN 60 2HD2 ASN 60 5.219 -13.440 -2.472
461 H GLN 61 H GLN 61 -0.206 -14.601 -4.333
462 HA GLN 61 HA GLN 61 -1.034 -16.770 -5.980
463 1HB GLN 61 2HB GLN 61 -2.306 -15.616 -3.994
464 2HB GLN 61 1HB GLN 61 -2.954 -14.560 -5.251
465 1HG GLN 61 2HG GLN 61 -4.529 -16.328 -5.070
466 2HG GLN 61 1HG GLN 61 -3.577 -16.716 -6.503
467 1HE2 GLN 61 1HE2 GLN 61 -4.881 -18.823 -5.195
468 2HE2 GLN 61 2HE2 GLN 61 -3.741 -19.796 -4.397
469 H LEU 62 H LEU 62 -0.870 -13.341 -6.486
470 HA LEU 62 HA LEU 62 -2.146 -13.393 -9.108
471 1HB LEU 62 2HB LEU 62 -0.820 -11.359 -7.367
472 2HB LEU 62 1HB LEU 62 -0.861 -11.027 -9.092
473 HG LEU 62 HG LEU 62 -3.429 -11.733 -8.777
474 1HD1 LEU 62 1HD1 LEU 62 -2.602 -10.612 -6.090
475 2HD1 LEU 62 2HD1 LEU 62 -3.270 -12.219 -6.391
476 3HD1 LEU 62 3HD1 LEU 62 -4.268 -10.790 -6.637
477 1HD2 LEU 62 1HD2 LEU 62 -2.772 -9.625 -9.712
478 2HD2 LEU 62 2HD2 LEU 62 -2.154 -9.072 -8.156
479 3HD2 LEU 62 3HD2 LEU 62 -3.891 -9.282 -8.393
480 H PHE 63 H PHE 63 1.138 -13.434 -7.838
481 HA PHE 63 HA PHE 63 2.134 -14.431 -10.411
482 1HB PHE 63 2HB PHE 63 2.675 -11.656 -9.420
483 2HB PHE 63 1HB PHE 63 3.965 -12.514 -10.258
484 HD1 PHE 63 1HD PHE 63 0.734 -10.875 -10.570
485 HD2 PHE 63 2HD PHE 63 3.622 -13.316 -12.601
486 HE1 PHE 63 1HE PHE 63 -0.353 -10.355 -12.744
487 HE2 PHE 63 2HE PHE 63 2.541 -12.795 -14.772
488 HZ PHE 63 HZ PHE 63 0.552 -11.315 -14.843
489 H GLY 64 H GLY 64 3.925 -12.662 -7.956
490 1HA GLY 64 2HA GLY 64 5.271 -13.516 -6.177
491 2HA GLY 64 1HA GLY 64 4.860 -15.155 -6.685
492 H ASP 65 H ASP 65 6.027 -12.698 -8.903
493 HA ASP 65 HA ASP 65 7.888 -12.761 -10.342
494 1HB ASP 65 2HB ASP 65 9.061 -13.494 -7.651
495 2HB ASP 65 1HB ASP 65 10.062 -13.230 -9.080
496 H VAL 66 H VAL 66 6.395 -14.989 -10.767
497 HA VAL 66 HA VAL 66 8.414 -16.937 -11.569
498 HB VAL 66 HB VAL 66 7.989 -17.563 -9.187
499 1HG1 VAL 66 1HG1 VAL 66 5.829 -18.289 -8.471
500 2HG1 VAL 66 2HG1 VAL 66 5.198 -18.265 -10.118
501 3HG1 VAL 66 3HG1 VAL 66 5.567 -16.750 -9.293
502 1HG2 VAL 66 1HG2 VAL 66 7.542 -19.936 -9.641
503 2HG2 VAL 66 2HG2 VAL 66 8.594 -19.270 -10.890
504 3HG2 VAL 66 3HG2 VAL 66 6.880 -19.523 -11.223
Start of MODEL 2
1 1H GLY 1 1HT GLY 1 3.181 27.978 -2.130
2 2H GLY 1 2HT GLY 1 3.339 26.304 -1.888
3 3H GLY 1 3HT GLY 1 4.221 27.392 -0.926
4 1HA GLY 1 2HA GLY 1 2.027 28.290 -0.126
5 2HA GLY 1 1HA GLY 1 1.306 26.873 -0.892
6 H SER 2 H SER 2 0.911 25.334 0.615
7 HA SER 2 HA SER 2 1.937 25.199 3.214
8 1HB SER 2 2HB SER 2 0.041 23.825 2.460
9 2HB SER 2 1HB SER 2 1.117 22.884 1.431
10 HG SER 2 HG SER 2 2.266 22.329 3.373
11 H MET 3 H MET 3 3.556 23.715 4.148
12 HA MET 3 HA MET 3 6.087 23.881 2.848
13 1HB MET 3 2HB MET 3 5.537 23.512 5.360
14 2HB MET 3 1HB MET 3 5.444 21.801 4.939
15 1HG MET 3 2HG MET 3 7.701 22.215 5.653
16 2HG MET 3 1HG MET 3 7.746 22.040 3.899
17 1HE MET 3 1HE MET 3 9.289 23.843 6.604
18 2HE MET 3 2HE MET 3 10.235 24.873 5.533
19 3HE MET 3 3HE MET 3 10.111 23.147 5.201
20 H GLY 4 H GLY 4 3.482 21.842 2.224
21 1HA GLY 4 2HA GLY 4 4.204 20.511 0.040
22 2HA GLY 4 1HA GLY 4 5.175 19.621 1.215
23 H VAL 5 H VAL 5 3.893 18.764 3.143
24 HA VAL 5 HA VAL 5 2.208 17.347 3.911
25 HB VAL 5 HB VAL 5 0.778 19.605 2.600
26 1HG1 VAL 5 1HG1 VAL 5 -0.480 16.936 3.240
27 2HG1 VAL 5 2HG1 VAL 5 -0.643 17.891 1.762
28 3HG1 VAL 5 3HG1 VAL 5 -1.403 18.438 3.256
29 1HG2 VAL 5 1HG2 VAL 5 0.700 18.224 5.298
30 2HG2 VAL 5 2HG2 VAL 5 -0.363 19.562 4.861
31 3HG2 VAL 5 3HG2 VAL 5 1.386 19.809 4.930
32 HA PRO 6 HA PRO 6 1.964 14.586 0.397
33 1HB PRO 6 2HB PRO 6 1.584 12.370 2.114
34 2HB PRO 6 1HB PRO 6 3.130 12.933 1.475
35 1HG PRO 6 2HG PRO 6 2.232 13.054 4.206
36 2HG PRO 6 1HG PRO 6 3.765 13.618 3.540
37 1HD PRO 6 2HD PRO 6 1.416 15.185 4.322
38 2HD PRO 6 1HD PRO 6 3.053 15.732 3.951
39 H ILE 7 H ILE 7 0.310 13.038 -0.331
40 HA ILE 7 HA ILE 7 -2.288 13.353 1.079
41 HB ILE 7 HB ILE 7 -1.667 14.024 -1.792
42 1HG1 ILE 7 2HG1 ILE 7 -3.294 15.366 0.371
43 2HG1 ILE 7 1HG1 ILE 7 -1.610 15.734 0.053
44 1HG2 ILE 7 1HG2 ILE 7 -4.228 14.175 -1.976
45 2HG2 ILE 7 2HG2 ILE 7 -4.276 13.162 -0.532
46 3HG2 ILE 7 3HG2 ILE 7 -3.532 12.555 -2.011
47 1HD1 ILE 7 1HD1 ILE 7 -3.473 17.220 -1.017
48 2HD1 ILE 7 2HD1 ILE 7 -3.642 15.886 -2.163
49 3HD1 ILE 7 3HD1 ILE 7 -2.100 16.730 -2.012
50 H CYS 8 H CYS 8 -3.148 11.453 1.429
51 HA CYS 8 HA CYS 8 -2.019 9.035 0.508
52 1HB CYS 8 2HB CYS 8 -3.269 9.010 2.535
53 2HB CYS 8 1HB CYS 8 -4.692 9.675 1.743
54 H GLY 9 H GLY 9 -2.067 8.254 -1.477
55 1HA GLY 9 2HA GLY 9 -3.761 9.213 -3.556
56 2HA GLY 9 1HA GLY 9 -2.791 7.747 -3.646
57 H ALA 10 H ALA 10 -4.590 7.396 -0.927
58 HA ALA 10 HA ALA 10 -6.446 5.571 -2.294
59 1HB ALA 10 1HB ALA 10 -5.153 5.284 0.019
60 2HB ALA 10 2HB ALA 10 -6.738 4.558 -0.236
61 3HB ALA 10 3HB ALA 10 -6.595 6.076 0.651
62 H CYS 11 H CYS 11 -6.773 8.274 0.009
63 HA CYS 11 HA CYS 11 -9.555 8.678 -1.022
64 1HB CYS 11 2HB CYS 11 -9.698 10.095 1.168
65 2HB CYS 11 1HB CYS 11 -9.745 8.338 1.297
66 H ARG 12 H ARG 12 -6.506 9.818 -1.476
67 HA ARG 12 HA ARG 12 -5.652 11.830 -2.302
68 1HB ARG 12 2HB ARG 12 -8.518 12.636 -2.832
69 2HB ARG 12 1HB ARG 12 -7.072 13.083 -3.739
70 1HG ARG 12 2HG ARG 12 -8.336 10.332 -3.589
71 2HG ARG 12 1HG ARG 12 -8.276 11.390 -4.998
72 1HD ARG 12 2HD ARG 12 -5.717 11.305 -4.743
73 2HD ARG 12 1HD ARG 12 -5.990 9.946 -3.651
74 HE ARG 12 HE ARG 12 -7.442 9.276 -5.913
75 1HH1 ARG 12 1HH2 ARG 12 -4.210 10.253 -5.212
76 2HH1 ARG 12 2HH2 ARG 12 -3.513 9.357 -6.520
77 1HH2 ARG 12 1HH1 ARG 12 -6.550 8.099 -7.626
78 2HH2 ARG 12 2HH1 ARG 12 -4.839 8.137 -7.886
79 H ARG 13 H ARG 13 -6.096 11.669 0.466
80 HA ARG 13 HA ARG 13 -7.013 14.437 1.127
81 1HB ARG 13 2HB ARG 13 -7.232 11.826 2.587
82 2HB ARG 13 1HB ARG 13 -7.113 13.314 3.527
83 1HG ARG 13 2HG ARG 13 -9.031 14.235 2.197
84 2HG ARG 13 1HG ARG 13 -9.198 12.656 1.427
85 1HD ARG 13 2HD ARG 13 -9.318 13.116 4.420
86 2HD ARG 13 1HD ARG 13 -10.735 12.968 3.380
87 HE ARG 13 HE ARG 13 -9.275 10.678 2.833
88 1HH1 ARG 13 1HH2 ARG 13 -10.487 12.260 5.645
89 2HH1 ARG 13 2HH2 ARG 13 -10.705 10.793 6.539
90 1HH2 ARG 13 1HH1 ARG 13 -9.554 8.753 3.984
91 2HH2 ARG 13 2HH1 ARG 13 -10.177 8.807 5.599
92 HA PRO 14 HA PRO 14 -2.827 15.337 2.111
93 1HB PRO 14 2HB PRO 14 -3.566 16.947 4.404
94 2HB PRO 14 1HB PRO 14 -2.980 17.470 2.825
95 1HG PRO 14 2HG PRO 14 -5.634 17.718 3.816
96 2HG PRO 14 1HG PRO 14 -5.052 18.106 2.188
97 1HD PRO 14 2HD PRO 14 -6.724 15.872 2.992
98 2HD PRO 14 1HD PRO 14 -6.191 16.322 1.359
99 H ILE 15 H ILE 15 -1.652 13.726 2.992
100 HA ILE 15 HA ILE 15 -2.503 12.316 5.391
101 HB ILE 15 HB ILE 15 0.166 12.286 3.940
102 1HG1 ILE 15 2HG1 ILE 15 -1.855 10.083 3.850
103 2HG1 ILE 15 1HG1 ILE 15 -2.133 11.512 2.857
104 1HG2 ILE 15 1HG2 ILE 15 -0.971 10.695 6.228
105 2HG2 ILE 15 2HG2 ILE 15 0.643 11.378 6.053
106 3HG2 ILE 15 3HG2 ILE 15 0.184 9.949 5.123
107 1HD1 ILE 15 1HD1 ILE 15 0.593 10.281 2.813
108 2HD1 ILE 15 2HD1 ILE 15 -0.273 11.127 1.536
109 3HD1 ILE 15 3HD1 ILE 15 -0.702 9.464 1.936
110 H GLU 16 H GLU 16 -1.224 12.289 7.442
111 HA GLU 16 HA GLU 16 0.628 14.509 7.908
112 1HB GLU 16 2HB GLU 16 -0.952 15.419 9.778
113 2HB GLU 16 1HB GLU 16 -1.239 15.908 8.109
114 1HG GLU 16 2HG GLU 16 -3.060 14.434 7.859
115 2HG GLU 16 1HG GLU 16 -2.588 13.469 9.258
116 H GLY 17 H GLY 17 1.449 12.143 8.342
117 1HA GLY 17 2HA GLY 17 1.969 11.918 11.144
118 2HA GLY 17 1HA GLY 17 0.771 10.706 10.679
119 H ARG 18 H ARG 18 1.426 8.951 9.530
120 HA ARG 18 HA ARG 18 4.313 8.832 8.746
121 1HB ARG 18 2HB ARG 18 2.436 6.723 9.818
122 2HB ARG 18 1HB ARG 18 3.880 6.288 8.902
123 1HG ARG 18 2HG ARG 18 5.198 7.744 10.523
124 2HG ARG 18 1HG ARG 18 3.739 7.808 11.510
125 1HD ARG 18 2HD ARG 18 4.997 5.213 10.599
126 2HD ARG 18 1HD ARG 18 5.388 5.980 12.137
127 HE ARG 18 HE ARG 18 2.623 5.826 12.165
128 1HH1 ARG 18 1HH2 ARG 18 5.244 3.648 11.641
129 2HH1 ARG 18 2HH2 ARG 18 4.404 2.274 12.279
130 1HH2 ARG 18 1HH1 ARG 18 1.511 4.043 13.001
131 2HH2 ARG 18 2HH1 ARG 18 2.291 2.498 13.048
132 H VAL 19 H VAL 19 4.543 8.860 6.597
133 HA VAL 19 HA VAL 19 2.182 8.284 4.898
134 HB VAL 19 HB VAL 19 4.882 9.415 4.115
135 1HG1 VAL 19 1HG1 VAL 19 4.007 8.978 2.052
136 2HG1 VAL 19 2HG1 VAL 19 3.009 10.398 2.375
137 3HG1 VAL 19 3HG1 VAL 19 2.368 8.786 2.679
138 1HG2 VAL 19 1HG2 VAL 19 2.326 10.955 4.569
139 2HG2 VAL 19 2HG2 VAL 19 3.957 11.590 4.358
140 3HG2 VAL 19 3HG2 VAL 19 3.526 10.744 5.843
141 H VAL 20 H VAL 20 2.336 6.924 3.042
142 HA VAL 20 HA VAL 20 4.551 4.915 3.167
143 HB VAL 20 HB VAL 20 1.604 4.560 2.647
144 1HG1 VAL 20 1HG1 VAL 20 2.476 2.137 1.998
145 2HG1 VAL 20 2HG1 VAL 20 3.923 3.026 1.516
146 3HG1 VAL 20 3HG1 VAL 20 2.367 3.403 0.775
147 1HG2 VAL 20 1HG2 VAL 20 2.640 4.216 4.922
148 2HG2 VAL 20 2HG2 VAL 20 3.590 2.907 4.225
149 3HG2 VAL 20 3HG2 VAL 20 1.832 2.791 4.274
150 H ASN 21 H ASN 21 5.849 5.369 1.453
151 HA ASN 21 HA ASN 21 4.728 6.731 -0.894
152 1HB ASN 21 2HB ASN 21 7.508 5.925 -0.073
153 2HB ASN 21 1HB ASN 21 7.167 6.587 -1.670
154 1HD2 ASN 21 1HD2 ASN 21 5.870 7.453 1.586
155 2HD2 ASN 21 2HD2 ASN 21 6.300 9.092 1.481
156 H ALA 22 H ALA 22 3.622 5.413 -2.242
157 HA ALA 22 HA ALA 22 5.062 3.088 -3.387
158 1HB ALA 22 1HB ALA 22 2.194 2.852 -2.454
159 2HB ALA 22 2HB ALA 22 3.558 2.323 -1.466
160 3HB ALA 22 3HB ALA 22 3.251 1.563 -3.028
161 H MET 23 H MET 23 4.053 2.421 -5.465
162 HA MET 23 HA MET 23 3.143 2.978 -7.554
163 1HB MET 23 2HB MET 23 1.194 4.725 -6.047
164 2HB MET 23 1HB MET 23 0.935 3.874 -7.567
165 1HG MET 23 2HG MET 23 1.519 2.367 -5.015
166 2HG MET 23 1HG MET 23 -0.119 2.859 -5.435
167 1HE MET 23 1HE MET 23 0.477 -0.247 -5.063
168 2HE MET 23 2HE MET 23 2.158 0.224 -5.309
169 3HE MET 23 3HE MET 23 1.433 -1.000 -6.350
170 H GLY 24 H GLY 24 4.968 4.784 -5.880
171 1HA GLY 24 2HA GLY 24 6.191 6.745 -6.365
172 2HA GLY 24 1HA GLY 24 5.276 6.858 -7.871
173 H LYS 25 H LYS 25 3.659 6.508 -4.842
174 HA LYS 25 HA LYS 25 2.865 9.396 -4.856
175 1HB LYS 25 2HB LYS 25 1.058 6.982 -4.497
176 2HB LYS 25 1HB LYS 25 0.555 8.656 -4.323
177 1HG LYS 25 2HG LYS 25 1.781 8.617 -6.825
178 2HG LYS 25 1HG LYS 25 0.930 7.074 -6.756
179 1HD LYS 25 2HD LYS 25 -0.722 8.516 -7.586
180 2HD LYS 25 1HD LYS 25 -1.080 8.489 -5.865
181 1HE LYS 25 2HE LYS 25 0.144 10.580 -5.542
182 2HE LYS 25 1HE LYS 25 0.614 10.594 -7.242
183 1HZ LYS 25 1HZ LYS 25 -1.237 11.761 -7.556
184 2HZ LYS 25 2HZ LYS 25 -1.861 11.377 -6.023
185 3HZ LYS 25 3HZ LYS 25 -2.083 10.309 -7.326
186 H GLN 26 H GLN 26 0.983 8.869 -2.746
187 HA GLN 26 HA GLN 26 2.695 8.060 -0.445
188 1HB GLN 26 2HB GLN 26 1.138 10.635 -0.841
189 2HB GLN 26 1HB GLN 26 1.651 10.080 0.747
190 1HG GLN 26 2HG GLN 26 3.873 10.525 0.339
191 2HG GLN 26 1HG GLN 26 3.748 10.106 -1.364
192 1HE2 GLN 26 1HE2 GLN 26 5.124 12.327 -1.111
193 2HE2 GLN 26 2HE2 GLN 26 4.215 13.732 -1.394
194 H TRP 27 H TRP 27 1.381 7.046 1.211
195 HA TRP 27 HA TRP 27 -1.557 7.019 0.693
196 1HB TRP 27 2HB TRP 27 0.145 4.535 1.027
197 2HB TRP 27 1HB TRP 27 -1.600 4.578 0.788
198 HD1 TRP 27 HD TRP 27 1.696 5.291 -1.037
199 HE1 TRP 27 1HE TRP 27 1.241 5.335 -3.575
200 HE3 TRP 27 3HE TRP 27 -3.369 4.872 -1.011
201 HZ2 TRP 27 2HZ TRP 27 -0.997 5.211 -5.357
202 HZ3 TRP 27 3HZ TRP 27 -4.647 4.836 -3.122
203 HH2 TRP 27 HH TRP 27 -3.470 5.004 -5.301
204 H HIS 28 H HIS 28 -2.752 7.012 2.592
205 HA HIS 28 HA HIS 28 -1.500 7.489 5.104
206 1HB HIS 28 2HB HIS 28 -4.222 6.408 4.359
207 2HB HIS 28 1HB HIS 28 -3.730 6.515 6.047
208 HD2 HIS 28 2HD HIS 28 -2.737 9.364 6.598
209 HE1 HIS 28 1HE HIS 28 -5.645 10.911 3.959
210 HE2 HIS 28 2HE HIS 28 -4.021 11.500 5.819
211 H VAL 29 H VAL 29 -0.613 6.041 6.584
212 HA VAL 29 HA VAL 29 0.213 3.476 5.769
213 HB VAL 29 HB VAL 29 -0.098 4.794 8.462
214 1HG1 VAL 29 1HG1 VAL 29 1.259 2.769 9.296
215 2HG1 VAL 29 2HG1 VAL 29 0.680 1.942 7.850
216 3HG1 VAL 29 3HG1 VAL 29 -0.472 2.531 9.048
217 1HG2 VAL 29 1HG2 VAL 29 2.258 4.961 8.356
218 2HG2 VAL 29 2HG2 VAL 29 1.727 5.323 6.712
219 3HG2 VAL 29 3HG2 VAL 29 2.378 3.729 7.103
220 H GLU 30 H GLU 30 -2.835 4.568 6.903
221 HA GLU 30 HA GLU 30 -3.720 1.859 7.673
222 1HB GLU 30 2HB GLU 30 -5.287 4.450 7.618
223 2HB GLU 30 1HB GLU 30 -5.779 2.942 8.392
224 1HG GLU 30 2HG GLU 30 -3.636 3.114 9.758
225 2HG GLU 30 1HG GLU 30 -3.498 4.766 9.163
226 H HIS 31 H HIS 31 -4.003 4.112 5.012
227 HA HIS 31 HA HIS 31 -6.174 2.483 3.806
228 1HB HIS 31 2HB HIS 31 -4.946 5.030 2.724
229 2HB HIS 31 1HB HIS 31 -6.505 4.316 2.301
230 HD2 HIS 31 2HD HIS 31 -7.003 3.734 5.746
231 HE1 HIS 31 1HE HIS 31 -7.504 7.923 5.663
232 HE2 HIS 31 2HE HIS 31 -7.943 5.816 7.003
233 H PHE 32 H PHE 32 -2.816 2.475 3.761
234 HA PHE 32 HA PHE 32 -2.612 1.758 0.910
235 1HB PHE 32 2HB PHE 32 -0.699 2.851 2.233
236 2HB PHE 32 1HB PHE 32 -0.491 1.285 3.020
237 HD1 PHE 32 1HD PHE 32 1.116 -0.115 2.066
238 HD2 PHE 32 2HD PHE 32 -1.084 2.567 -0.473
239 HE1 PHE 32 1HE PHE 32 2.346 -0.960 0.086
240 HE2 PHE 32 2HE PHE 32 0.145 1.715 -2.439
241 HZ PHE 32 HZ PHE 32 1.863 -0.050 -2.162
242 H VAL 33 H VAL 33 -3.639 -0.108 0.458
243 HA VAL 33 HA VAL 33 -3.078 -2.473 2.197
244 HB VAL 33 HB VAL 33 -5.395 -3.177 1.859
245 1HG1 VAL 33 1HG1 VAL 33 -6.321 -0.696 2.782
246 2HG1 VAL 33 2HG1 VAL 33 -4.630 -0.741 3.273
247 3HG1 VAL 33 3HG1 VAL 33 -5.731 -2.028 3.770
248 1HG2 VAL 33 1HG2 VAL 33 -6.978 -1.523 0.787
249 2HG2 VAL 33 2HG2 VAL 33 -5.818 -2.245 -0.331
250 3HG2 VAL 33 3HG2 VAL 33 -5.565 -0.604 0.270
251 H CYS 34 H CYS 34 -3.850 -4.498 1.059
252 HA CYS 34 HA CYS 34 -2.402 -4.898 -1.366
253 1HB CYS 34 2HB CYS 34 -2.795 -6.813 -0.091
254 2HB CYS 34 1HB CYS 34 -4.488 -6.436 0.159
255 H ALA 35 H ALA 35 -3.172 -5.095 -3.519
256 HA ALA 35 HA ALA 35 -5.632 -3.540 -4.061
257 1HB ALA 35 1HB ALA 35 -4.778 -3.256 -6.237
258 2HB ALA 35 2HB ALA 35 -3.769 -4.697 -6.122
259 3HB ALA 35 3HB ALA 35 -3.333 -3.245 -5.221
260 H LYS 36 H LYS 36 -5.881 -6.206 -2.947
261 HA LYS 36 HA LYS 36 -7.514 -7.438 -5.109
262 1HB LYS 36 2HB LYS 36 -5.031 -8.455 -4.442
263 2HB LYS 36 1HB LYS 36 -6.095 -9.411 -3.427
264 1HG LYS 36 2HG LYS 36 -6.471 -9.030 -6.412
265 2HG LYS 36 1HG LYS 36 -5.699 -10.426 -5.670
266 1HD LYS 36 2HD LYS 36 -7.761 -10.889 -4.401
267 2HD LYS 36 1HD LYS 36 -8.541 -9.514 -5.180
268 1HE LYS 36 2HE LYS 36 -8.348 -10.547 -7.354
269 2HE LYS 36 1HE LYS 36 -7.351 -11.847 -6.701
270 1HZ LYS 36 1HZ LYS 36 -9.891 -11.508 -5.375
271 2HZ LYS 36 2HZ LYS 36 -9.126 -12.925 -5.918
272 3HZ LYS 36 3HZ LYS 36 -10.018 -11.968 -7.002
273 H CYS 37 H CYS 37 -6.611 -7.393 -1.684
274 HA CYS 37 HA CYS 37 -9.405 -8.260 -1.007
275 1HB CYS 37 2HB CYS 37 -8.463 -9.332 0.984
276 2HB CYS 37 1HB CYS 37 -7.651 -9.929 -0.459
277 H GLU 38 H GLU 38 -6.957 -5.865 -0.619
278 HA GLU 38 HA GLU 38 -7.088 -3.787 0.399
279 1HB GLU 38 2HB GLU 38 -9.758 -4.490 1.604
280 2HB GLU 38 1HB GLU 38 -9.144 -2.911 1.121
281 1HG GLU 38 2HG GLU 38 -9.054 -4.109 -1.281
282 2HG GLU 38 1HG GLU 38 -10.349 -5.066 -0.561
283 H LYS 39 H LYS 39 -5.651 -5.741 1.627
284 HA LYS 39 HA LYS 39 -6.394 -5.601 4.506
285 1HB LYS 39 2HB LYS 39 -5.670 -7.792 3.309
286 2HB LYS 39 1HB LYS 39 -4.041 -7.126 3.397
287 1HG LYS 39 2HG LYS 39 -5.670 -7.061 5.903
288 2HG LYS 39 1HG LYS 39 -5.085 -8.627 5.371
289 1HD LYS 39 2HD LYS 39 -2.779 -7.727 5.262
290 2HD LYS 39 1HD LYS 39 -3.374 -6.170 5.840
291 1HE LYS 39 2HE LYS 39 -2.407 -7.624 7.654
292 2HE LYS 39 1HE LYS 39 -4.081 -7.148 7.938
293 1HZ LYS 39 1HZ LYS 39 -3.705 -9.516 8.346
294 2HZ LYS 39 2HZ LYS 39 -3.222 -9.721 6.730
295 3HZ LYS 39 3HZ LYS 39 -4.818 -9.264 7.091
296 HA PRO 40 HA PRO 40 -3.474 -2.166 4.328
297 1HB PRO 40 2HB PRO 40 -3.969 -1.498 7.009
298 2HB PRO 40 1HB PRO 40 -4.713 -0.751 5.611
299 1HG PRO 40 2HG PRO 40 -5.894 -2.546 7.551
300 2HG PRO 40 1HG PRO 40 -6.699 -1.680 6.246
301 1HD PRO 40 2HD PRO 40 -6.079 -4.488 6.382
302 2HD PRO 40 1HD PRO 40 -6.846 -3.623 5.043
303 H PHE 41 H PHE 41 -1.383 -2.061 4.841
304 HA PHE 41 HA PHE 41 -0.303 -4.074 6.760
305 1HB PHE 41 2HB PHE 41 1.491 -2.289 5.160
306 2HB PHE 41 1HB PHE 41 1.719 -3.969 5.635
307 HD1 PHE 41 1HD PHE 41 -0.195 -1.738 3.356
308 HD2 PHE 41 2HD PHE 41 1.044 -5.749 4.237
309 HE1 PHE 41 1HE PHE 41 -1.035 -2.483 1.140
310 HE2 PHE 41 2HE PHE 41 0.203 -6.494 2.037
311 HZ PHE 41 HZ PHE 41 -0.835 -4.870 0.483
312 H LEU 42 H LEU 42 -1.525 -2.279 8.242
313 HA LEU 42 HA LEU 42 -0.564 0.212 8.879
314 1HB LEU 42 2HB LEU 42 -1.445 -2.081 10.599
315 2HB LEU 42 1HB LEU 42 -0.771 -0.655 11.384
316 HG LEU 42 HG LEU 42 -2.426 0.770 10.223
317 1HD1 LEU 42 1HD1 LEU 42 -3.233 -1.870 9.024
318 2HD1 LEU 42 2HD1 LEU 42 -2.718 -0.402 8.188
319 3HD1 LEU 42 3HD1 LEU 42 -4.283 -0.449 9.004
320 1HD2 LEU 42 1HD2 LEU 42 -3.229 0.042 12.337
321 2HD2 LEU 42 2HD2 LEU 42 -3.449 -1.615 11.772
322 3HD2 LEU 42 3HD2 LEU 42 -4.541 -0.343 11.222
323 H GLY 43 H GLY 43 0.871 -2.792 10.154
324 1HA GLY 43 2HA GLY 43 3.524 -1.415 10.185
325 2HA GLY 43 1HA GLY 43 2.974 -2.309 11.601
326 H HIS 44 H HIS 44 2.238 -3.373 8.353
327 HA HIS 44 HA HIS 44 4.073 -5.709 8.783
328 1HB HIS 44 2HB HIS 44 1.333 -5.472 7.568
329 2HB HIS 44 1HB HIS 44 2.407 -6.767 7.042
330 HD1 HIS 44 1HD HIS 44 1.272 -8.722 8.209
331 HD2 HIS 44 2HD HIS 44 2.141 -5.589 10.815
332 HE1 HIS 44 1HE HIS 44 0.826 -9.590 10.546
333 H ARG 45 H ARG 45 4.258 -6.800 6.372
334 HA ARG 45 HA ARG 45 5.601 -4.695 4.748
335 1HB ARG 45 2HB ARG 45 7.078 -6.500 5.234
336 2HB ARG 45 1HB ARG 45 5.841 -7.708 4.893
337 1HG ARG 45 2HG ARG 45 5.902 -7.193 2.524
338 2HG ARG 45 1HG ARG 45 6.985 -5.829 2.804
339 1HD ARG 45 2HD ARG 45 8.601 -7.548 3.837
340 2HD ARG 45 1HD ARG 45 7.576 -8.777 3.094
341 HE ARG 45 HE ARG 45 8.137 -7.038 1.011
342 1HH1 ARG 45 1HH2 ARG 45 9.947 -8.797 3.360
343 2HH1 ARG 45 2HH2 ARG 45 11.328 -9.002 2.336
344 1HH2 ARG 45 1HH1 ARG 45 9.930 -7.296 -0.339
345 2HH2 ARG 45 2HH1 ARG 45 11.319 -8.152 0.241
346 H HIS 46 H HIS 46 5.089 -4.440 2.523
347 HA HIS 46 HA HIS 46 2.590 -5.838 1.638
348 1HB HIS 46 2HB HIS 46 2.310 -3.776 0.143
349 2HB HIS 46 1HB HIS 46 2.001 -3.557 1.860
350 HD1 HIS 46 1HD HIS 46 3.802 -2.240 3.244
351 HD2 HIS 46 2HD HIS 46 4.606 -2.449 -0.844
352 HE1 HIS 46 1HE HIS 46 5.646 -0.564 2.789
353 H TYR 47 H TYR 47 2.419 -5.875 -0.794
354 HA TYR 47 HA TYR 47 5.090 -6.221 -2.086
355 1HB TYR 47 2HB TYR 47 2.756 -8.115 -2.396
356 2HB TYR 47 1HB TYR 47 4.404 -8.359 -2.938
357 HD1 TYR 47 1HD TYR 47 5.914 -9.512 -1.537
358 HD2 TYR 47 2HD TYR 47 2.448 -7.648 0.186
359 HE1 TYR 47 1HE TYR 47 6.521 -10.404 0.697
360 HE2 TYR 47 2HE TYR 47 3.072 -8.535 2.406
361 HH TYR 47 HH TYR 47 6.128 -10.242 2.906
362 H GLU 48 H GLU 48 5.159 -5.456 -4.196
363 HA GLU 48 HA GLU 48 2.643 -4.197 -5.211
364 1HB GLU 48 2HB GLU 48 5.560 -3.542 -5.480
365 2HB GLU 48 1HB GLU 48 4.419 -2.962 -6.693
366 1HG GLU 48 2HG GLU 48 3.092 -1.855 -4.979
367 2HG GLU 48 1HG GLU 48 4.131 -2.507 -3.711
368 H ARG 49 H ARG 49 2.041 -4.399 -7.370
369 HA ARG 49 HA ARG 49 3.596 -6.168 -9.148
370 1HB ARG 49 2HB ARG 49 2.158 -7.698 -7.801
371 2HB ARG 49 1HB ARG 49 0.742 -6.853 -8.413
372 1HG ARG 49 2HG ARG 49 2.366 -7.491 -10.670
373 2HG ARG 49 1HG ARG 49 2.251 -8.948 -9.688
374 1HD ARG 49 2HD ARG 49 0.401 -8.689 -11.385
375 2HD ARG 49 1HD ARG 49 -0.150 -8.878 -9.727
376 HE ARG 49 HE ARG 49 0.013 -6.131 -10.071
377 1HH1 ARG 49 1HH2 ARG 49 -1.478 -8.785 -11.690
378 2HH1 ARG 49 2HH2 ARG 49 -2.822 -7.855 -12.261
379 1HH2 ARG 49 1HH1 ARG 49 -1.737 -4.900 -10.807
380 2HH2 ARG 49 2HH1 ARG 49 -2.969 -5.656 -11.761
381 H LYS 50 H LYS 50 3.427 -5.429 -11.182
382 HA LYS 50 HA LYS 50 2.779 -4.079 -12.969
383 1HB LYS 50 2HB LYS 50 0.073 -4.979 -11.945
384 2HB LYS 50 1HB LYS 50 0.331 -4.180 -13.495
385 1HG LYS 50 2HG LYS 50 2.064 -6.068 -13.936
386 2HG LYS 50 1HG LYS 50 1.265 -6.906 -12.608
387 1HD LYS 50 2HD LYS 50 0.010 -7.693 -14.395
388 2HD LYS 50 1HD LYS 50 -0.933 -6.269 -13.958
389 1HE LYS 50 2HE LYS 50 -0.663 -6.066 -16.295
390 2HE LYS 50 1HE LYS 50 0.581 -5.002 -15.639
391 1HZ LYS 50 1HZ LYS 50 1.837 -7.383 -15.736
392 2HZ LYS 50 2HZ LYS 50 1.953 -6.177 -16.927
393 3HZ LYS 50 3HZ LYS 50 0.854 -7.460 -17.117
394 H GLY 51 H GLY 51 2.952 -2.928 -10.181
395 1HA GLY 51 2HA GLY 51 2.876 -0.627 -9.565
396 2HA GLY 51 1HA GLY 51 1.808 -0.332 -10.931
397 H LEU 52 H LEU 52 1.253 -2.889 -8.636
398 HA LEU 52 HA LEU 52 -0.842 -1.300 -7.264
399 1HB LEU 52 2HB LEU 52 -1.282 -3.788 -8.895
400 2HB LEU 52 1HB LEU 52 -2.324 -3.446 -7.518
401 HG LEU 52 HG LEU 52 -1.839 -1.595 -9.870
402 1HD1 LEU 52 1HD1 LEU 52 -3.998 -2.220 -10.637
403 2HD1 LEU 52 2HD1 LEU 52 -4.402 -3.002 -9.108
404 3HD1 LEU 52 3HD1 LEU 52 -3.226 -3.744 -10.193
405 1HD2 LEU 52 1HD2 LEU 52 -2.449 -0.054 -8.286
406 2HD2 LEU 52 2HD2 LEU 52 -3.139 -1.274 -7.213
407 3HD2 LEU 52 3HD2 LEU 52 -4.071 -0.677 -8.588
408 H ALA 53 H ALA 53 -1.156 -1.947 -5.142
409 HA ALA 53 HA ALA 53 0.961 -3.583 -4.019
410 1HB ALA 53 1HB ALA 53 0.221 -1.747 -2.678
411 2HB ALA 53 2HB ALA 53 -0.339 -3.207 -1.854
412 3HB ALA 53 3HB ALA 53 -1.466 -2.246 -2.821
413 H TYR 54 H TYR 54 0.706 -5.510 -2.807
414 HA TYR 54 HA TYR 54 -1.856 -6.925 -2.912
415 1HB TYR 54 2HB TYR 54 0.567 -7.772 -4.491
416 2HB TYR 54 1HB TYR 54 -0.642 -8.933 -3.958
417 HD1 TYR 54 1HD TYR 54 0.183 -6.390 -6.344
418 HD2 TYR 54 2HD TYR 54 -3.057 -8.543 -4.568
419 HE1 TYR 54 1HE TYR 54 -1.264 -5.731 -8.205
420 HE2 TYR 54 2HE TYR 54 -4.539 -7.856 -6.451
421 HH TYR 54 HH TYR 54 -4.327 -7.128 -8.773
422 H CYS 55 H CYS 55 -1.982 -8.400 -1.192
423 HA CYS 55 HA CYS 55 -0.070 -8.191 0.884
424 1HB CYS 55 2HB CYS 55 -1.931 -10.526 0.298
425 2HB CYS 55 1HB CYS 55 -1.097 -10.254 1.825
426 H GLU 56 H GLU 56 1.127 -10.351 1.667
427 HA GLU 56 HA GLU 56 3.152 -10.987 -0.244
428 1HB GLU 56 2HB GLU 56 3.513 -11.244 2.179
429 2HB GLU 56 1HB GLU 56 2.288 -12.494 2.243
430 1HG GLU 56 2HG GLU 56 4.737 -13.268 2.163
431 2HG GLU 56 1HG GLU 56 3.621 -14.032 1.036
432 H THR 57 H THR 57 0.142 -12.580 0.657
433 HA THR 57 HA THR 57 0.693 -14.918 -1.023
434 HB THR 57 HB THR 57 -1.768 -14.112 0.543
435 HG1 THR 57 1HG THR 57 -0.598 -16.295 1.427
436 1HG2 THR 57 1HG2 THR 57 -2.497 -15.559 -1.210
437 2HG2 THR 57 2HG2 THR 57 -2.318 -16.583 0.216
438 3HG2 THR 57 3HG2 THR 57 -1.079 -16.594 -1.039
439 H HIS 58 H HIS 58 -1.599 -12.174 -1.131
440 HA HIS 58 HA HIS 58 -2.836 -13.068 -3.546
441 1HB HIS 58 2HB HIS 58 -2.594 -10.326 -2.299
442 2HB HIS 58 1HB HIS 58 -3.575 -10.665 -3.725
443 HD2 HIS 58 2HD HIS 58 -4.854 -13.553 -2.667
444 HE1 HIS 58 1HE HIS 58 -6.320 -11.297 0.584
445 HE2 HIS 58 2HE HIS 58 -6.532 -13.491 -0.673
446 H TYR 59 H TYR 59 -0.122 -10.891 -2.880
447 HA TYR 59 HA TYR 59 0.410 -10.075 -5.512
448 1HB TYR 59 2HB TYR 59 1.691 -9.191 -3.652
449 2HB TYR 59 1HB TYR 59 2.247 -10.789 -3.203
450 HD1 TYR 59 1HD TYR 59 1.974 -9.446 -6.653
451 HD2 TYR 59 2HD TYR 59 4.605 -10.544 -3.443
452 HE1 TYR 59 1HE TYR 59 3.896 -9.212 -8.148
453 HE2 TYR 59 2HE TYR 59 6.550 -10.293 -4.958
454 HH TYR 59 HH TYR 59 7.201 -9.375 -6.979
455 H ASN 60 H ASN 60 1.779 -12.739 -3.671
456 HA ASN 60 HA ASN 60 3.037 -13.986 -5.873
457 1HB ASN 60 2HB ASN 60 2.091 -15.098 -3.223
458 2HB ASN 60 1HB ASN 60 3.040 -16.030 -4.378
459 1HD2 ASN 60 1HD2 ASN 60 3.911 -15.194 -1.668
460 2HD2 ASN 60 2HD2 ASN 60 5.282 -14.218 -1.888
461 H GLN 61 H GLN 61 -0.137 -14.548 -4.355
462 HA GLN 61 HA GLN 61 -0.913 -16.743 -5.997
463 1HB GLN 61 2HB GLN 61 -2.221 -15.684 -4.020
464 2HB GLN 61 1HB GLN 61 -2.841 -14.549 -5.220
465 1HG GLN 61 2HG GLN 61 -4.451 -16.278 -5.186
466 2HG GLN 61 1HG GLN 61 -3.462 -16.641 -6.601
467 1HE2 GLN 61 1HE2 GLN 61 -1.813 -18.386 -6.360
468 2HE2 GLN 61 2HE2 GLN 61 -2.008 -19.572 -5.163
469 H LEU 62 H LEU 62 -0.813 -13.308 -6.523
470 HA LEU 62 HA LEU 62 -2.083 -13.420 -9.147
471 1HB LEU 62 2HB LEU 62 -0.837 -11.328 -7.424
472 2HB LEU 62 1HB LEU 62 -0.856 -11.017 -9.155
473 HG LEU 62 HG LEU 62 -3.345 -11.628 -9.068
474 1HD1 LEU 62 1HD1 LEU 62 -3.037 -12.599 -6.696
475 2HD1 LEU 62 2HD1 LEU 62 -4.465 -11.621 -7.006
476 3HD1 LEU 62 3HD1 LEU 62 -3.086 -10.917 -6.159
477 1HD2 LEU 62 1HD2 LEU 62 -2.184 -9.174 -7.771
478 2HD2 LEU 62 2HD2 LEU 62 -3.919 -9.347 -8.055
479 3HD2 LEU 62 3HD2 LEU 62 -2.795 -9.350 -9.415
480 H PHE 63 H PHE 63 1.203 -13.405 -7.887
481 HA PHE 63 HA PHE 63 2.195 -14.371 -10.474
482 1HB PHE 63 2HB PHE 63 2.709 -11.598 -9.464
483 2HB PHE 63 1HB PHE 63 4.007 -12.434 -10.312
484 HD1 PHE 63 1HD PHE 63 0.749 -10.849 -10.598
485 HD2 PHE 63 2HD PHE 63 3.677 -13.210 -12.662
486 HE1 PHE 63 1HE PHE 63 -0.358 -10.329 -12.765
487 HE2 PHE 63 2HE PHE 63 2.580 -12.690 -14.825
488 HZ PHE 63 HZ PHE 63 0.562 -11.249 -14.875
489 H GLY 64 H GLY 64 3.977 -12.601 -8.018
490 1HA GLY 64 2HA GLY 64 5.461 -13.383 -6.347
491 2HA GLY 64 1HA GLY 64 4.905 -15.026 -6.668
492 H ASP 65 H ASP 65 6.082 -12.871 -9.177
493 HA ASP 65 HA ASP 65 7.893 -13.108 -10.651
494 1HB ASP 65 2HB ASP 65 9.338 -14.374 -8.315
495 2HB ASP 65 1HB ASP 65 10.028 -13.440 -9.642
496 H VAL 66 H VAL 66 6.653 -14.796 -11.797
497 HA VAL 66 HA VAL 66 6.677 -17.545 -11.243
498 HB VAL 66 HB VAL 66 6.409 -17.879 -13.687
499 1HG1 VAL 66 1HG1 VAL 66 4.946 -15.527 -12.455
500 2HG1 VAL 66 2HG1 VAL 66 4.437 -17.216 -12.463
501 3HG1 VAL 66 3HG1 VAL 66 4.458 -16.294 -13.966
502 1HG2 VAL 66 1HG2 VAL 66 6.447 -15.796 -15.117
503 2HG2 VAL 66 2HG2 VAL 66 8.033 -16.292 -14.528
504 3HG2 VAL 66 3HG2 VAL 66 7.187 -14.948 -13.760
Start of MODEL 3
1 1H GLY 1 1HT GLY 1 4.057 20.130 9.705
2 2H GLY 1 2HT GLY 1 2.405 19.814 9.457
3 3H GLY 1 3HT GLY 1 3.036 19.865 11.033
4 1HA GLY 1 2HA GLY 1 1.894 21.946 9.608
5 2HA GLY 1 1HA GLY 1 2.691 22.033 11.181
6 H SER 2 H SER 2 5.167 22.103 11.049
7 HA SER 2 HA SER 2 5.907 24.231 9.186
8 1HB SER 2 2HB SER 2 7.770 22.726 11.028
9 2HB SER 2 1HB SER 2 7.947 24.366 10.412
10 HG SER 2 HG SER 2 6.689 23.510 12.616
11 H MET 3 H MET 3 5.234 22.133 7.606
12 HA MET 3 HA MET 3 7.727 21.583 6.211
13 1HB MET 3 2HB MET 3 7.116 18.999 6.310
14 2HB MET 3 1HB MET 3 8.100 19.736 7.574
15 1HG MET 3 2HG MET 3 6.247 18.326 8.484
16 2HG MET 3 1HG MET 3 6.151 20.008 9.005
17 1HE MET 3 1HE MET 3 4.044 18.149 9.399
18 2HE MET 3 2HE MET 3 3.866 17.191 7.931
19 3HE MET 3 3HE MET 3 2.579 18.291 8.419
20 H GLY 4 H GLY 4 6.897 19.537 4.544
21 1HA GLY 4 2HA GLY 4 4.872 20.911 2.946
22 2HA GLY 4 1HA GLY 4 5.711 19.423 2.500
23 H VAL 5 H VAL 5 3.522 18.674 1.831
24 HA VAL 5 HA VAL 5 2.241 17.245 4.054
25 HB VAL 5 HB VAL 5 0.990 19.556 2.656
26 1HG1 VAL 5 1HG1 VAL 5 -0.458 17.908 1.743
27 2HG1 VAL 5 2HG1 VAL 5 -1.274 18.477 3.199
28 3HG1 VAL 5 3HG1 VAL 5 -0.408 16.940 3.222
29 1HG2 VAL 5 1HG2 VAL 5 -0.288 19.562 4.852
30 2HG2 VAL 5 2HG2 VAL 5 1.461 19.761 5.012
31 3HG2 VAL 5 3HG2 VAL 5 0.713 18.198 5.352
32 HA PRO 6 HA PRO 6 2.100 14.517 0.509
33 1HB PRO 6 2HB PRO 6 1.552 12.301 2.170
34 2HB PRO 6 1HB PRO 6 3.152 12.821 1.635
35 1HG PRO 6 2HG PRO 6 2.075 12.950 4.310
36 2HG PRO 6 1HG PRO 6 3.674 13.446 3.750
37 1HD PRO 6 2HD PRO 6 1.359 15.116 4.403
38 2HD PRO 6 1HD PRO 6 3.036 15.595 4.124
39 H ILE 7 H ILE 7 0.451 13.021 -0.317
40 HA ILE 7 HA ILE 7 -2.218 13.417 0.937
41 HB ILE 7 HB ILE 7 -1.401 14.011 -1.903
42 1HG1 ILE 7 2HG1 ILE 7 -3.115 15.452 0.123
43 2HG1 ILE 7 1HG1 ILE 7 -1.400 15.751 -0.080
44 1HG2 ILE 7 1HG2 ILE 7 -4.087 13.215 -0.782
45 2HG2 ILE 7 2HG2 ILE 7 -3.289 12.621 -2.237
46 3HG2 ILE 7 3HG2 ILE 7 -3.960 14.251 -2.204
47 1HD1 ILE 7 1HD1 ILE 7 -3.323 15.953 -2.394
48 2HD1 ILE 7 2HD1 ILE 7 -1.709 16.649 -2.245
49 3HD1 ILE 7 3HD1 ILE 7 -3.047 17.312 -1.304
50 H CYS 8 H CYS 8 -3.052 11.532 1.334
51 HA CYS 8 HA CYS 8 -1.961 9.086 0.445
52 1HB CYS 8 2HB CYS 8 -3.240 9.178 2.490
53 2HB CYS 8 1HB CYS 8 -4.669 9.709 1.619
54 H GLY 9 H GLY 9 -2.011 8.297 -1.533
55 1HA GLY 9 2HA GLY 9 -3.651 9.250 -3.634
56 2HA GLY 9 1HA GLY 9 -2.773 7.724 -3.673
57 H ALA 10 H ALA 10 -4.530 7.483 -0.966
58 HA ALA 10 HA ALA 10 -6.540 5.796 -2.279
59 1HB ALA 10 1HB ALA 10 -6.542 6.350 0.670
60 2HB ALA 10 2HB ALA 10 -5.228 5.398 -0.015
61 3HB ALA 10 3HB ALA 10 -6.892 4.848 -0.184
62 H CYS 11 H CYS 11 -6.581 8.574 -0.050
63 HA CYS 11 HA CYS 11 -9.398 9.118 -0.901
64 1HB CYS 11 2HB CYS 11 -9.006 10.801 1.190
65 2HB CYS 11 1HB CYS 11 -9.572 9.154 1.400
66 H ARG 12 H ARG 12 -6.336 10.020 -1.745
67 HA ARG 12 HA ARG 12 -5.418 11.995 -2.643
68 1HB ARG 12 2HB ARG 12 -8.351 12.542 -3.241
69 2HB ARG 12 1HB ARG 12 -6.977 13.326 -4.021
70 1HG ARG 12 2HG ARG 12 -7.148 10.327 -4.062
71 2HG ARG 12 1HG ARG 12 -8.160 11.252 -5.170
72 1HD ARG 12 2HD ARG 12 -5.189 11.755 -4.925
73 2HD ARG 12 1HD ARG 12 -5.847 10.560 -6.043
74 HE ARG 12 HE ARG 12 -7.287 12.856 -6.612
75 1HH1 ARG 12 1HH2 ARG 12 -3.960 11.990 -6.350
76 2HH1 ARG 12 2HH2 ARG 12 -3.431 13.139 -7.533
77 1HH2 ARG 12 1HH1 ARG 12 -6.614 14.362 -8.158
78 2HH2 ARG 12 2HH1 ARG 12 -4.933 14.481 -8.557
79 H ARG 13 H ARG 13 -6.114 11.859 0.116
80 HA ARG 13 HA ARG 13 -6.944 14.657 0.741
81 1HB ARG 13 2HB ARG 13 -8.415 12.902 1.647
82 2HB ARG 13 1HB ARG 13 -7.034 12.126 2.417
83 1HG ARG 13 2HG ARG 13 -6.670 14.271 3.691
84 2HG ARG 13 1HG ARG 13 -8.216 14.833 3.053
85 1HD ARG 13 2HD ARG 13 -8.857 12.335 3.997
86 2HD ARG 13 1HD ARG 13 -7.660 12.868 5.173
87 HE ARG 13 HE ARG 13 -10.319 13.705 5.199
88 1HH1 ARG 13 1HH2 ARG 13 -7.224 15.210 4.881
89 2HH1 ARG 13 2HH2 ARG 13 -7.770 16.741 5.474
90 1HH2 ARG 13 1HH1 ARG 13 -11.031 15.690 5.979
91 2HH2 ARG 13 2HH1 ARG 13 -9.918 17.012 6.097
92 HA PRO 14 HA PRO 14 -2.745 15.392 1.890
93 1HB PRO 14 2HB PRO 14 -3.558 17.090 4.104
94 2HB PRO 14 1HB PRO 14 -2.806 17.538 2.572
95 1HG PRO 14 2HG PRO 14 -5.505 17.988 3.313
96 2HG PRO 14 1HG PRO 14 -4.772 18.261 1.724
97 1HD PRO 14 2HD PRO 14 -6.641 16.181 2.490
98 2HD PRO 14 1HD PRO 14 -5.975 16.514 0.886
99 H ILE 15 H ILE 15 -1.680 13.768 2.875
100 HA ILE 15 HA ILE 15 -2.739 12.397 5.199
101 HB ILE 15 HB ILE 15 0.018 12.335 3.927
102 1HG1 ILE 15 2HG1 ILE 15 -1.867 10.028 3.941
103 2HG1 ILE 15 1HG1 ILE 15 -2.287 11.386 2.899
104 1HG2 ILE 15 1HG2 ILE 15 -1.141 10.945 6.324
105 2HG2 ILE 15 2HG2 ILE 15 0.490 11.568 6.082
106 3HG2 ILE 15 3HG2 ILE 15 -0.009 10.068 5.294
107 1HD1 ILE 15 1HD1 ILE 15 -0.746 9.463 1.973
108 2HD1 ILE 15 2HD1 ILE 15 0.521 10.319 2.857
109 3HD1 ILE 15 3HD1 ILE 15 -0.376 11.142 1.586
110 H GLU 16 H GLU 16 -1.668 12.373 7.365
111 HA GLU 16 HA GLU 16 0.106 14.625 7.997
112 1HB GLU 16 2HB GLU 16 -1.666 15.454 9.746
113 2HB GLU 16 1HB GLU 16 -1.788 15.986 8.069
114 1HG GLU 16 2HG GLU 16 -3.970 15.202 9.011
115 2HG GLU 16 1HG GLU 16 -3.456 14.286 7.595
116 H GLY 17 H GLY 17 0.932 12.267 8.456
117 1HA GLY 17 2HA GLY 17 1.310 12.009 11.264
118 2HA GLY 17 1HA GLY 17 0.107 10.822 10.756
119 H ARG 18 H ARG 18 0.741 9.107 9.519
120 HA ARG 18 HA ARG 18 3.674 8.868 8.975
121 1HB ARG 18 2HB ARG 18 1.638 6.664 9.407
122 2HB ARG 18 1HB ARG 18 3.372 6.454 9.156
123 1HG ARG 18 2HG ARG 18 3.858 7.647 11.223
124 2HG ARG 18 1HG ARG 18 2.141 7.974 11.464
125 1HD ARG 18 2HD ARG 18 1.659 5.774 12.028
126 2HD ARG 18 1HD ARG 18 3.017 5.131 11.101
127 HE ARG 18 HE ARG 18 4.236 6.568 13.121
128 1HH1 ARG 18 1HH2 ARG 18 1.819 4.119 12.916
129 2HH1 ARG 18 2HH2 ARG 18 2.223 3.406 14.442
130 1HH2 ARG 18 1HH1 ARG 18 4.778 5.651 15.115
131 2HH2 ARG 18 2HH1 ARG 18 3.899 4.273 15.687
132 H VAL 19 H VAL 19 4.236 8.266 6.855
133 HA VAL 19 HA VAL 19 1.934 8.100 4.937
134 HB VAL 19 HB VAL 19 4.651 9.356 4.456
135 1HG1 VAL 19 1HG1 VAL 19 2.262 8.774 2.759
136 2HG1 VAL 19 2HG1 VAL 19 3.968 8.845 2.310
137 3HG1 VAL 19 3HG1 VAL 19 3.046 10.336 2.527
138 1HG2 VAL 19 1HG2 VAL 19 3.683 11.455 4.808
139 2HG2 VAL 19 2HG2 VAL 19 2.909 10.496 6.067
140 3HG2 VAL 19 3HG2 VAL 19 2.046 10.847 4.570
141 H VAL 20 H VAL 20 2.308 6.885 3.008
142 HA VAL 20 HA VAL 20 4.545 4.907 3.198
143 HB VAL 20 HB VAL 20 1.621 4.478 2.608
144 1HG1 VAL 20 1HG1 VAL 20 3.998 3.013 1.504
145 2HG1 VAL 20 2HG1 VAL 20 2.453 3.374 0.732
146 3HG1 VAL 20 3HG1 VAL 20 2.556 2.090 1.935
147 1HG2 VAL 20 1HG2 VAL 20 1.871 2.680 4.206
148 2HG2 VAL 20 2HG2 VAL 20 2.604 4.127 4.896
149 3HG2 VAL 20 3HG2 VAL 20 3.624 2.865 4.209
150 H ASN 21 H ASN 21 5.860 5.289 1.482
151 HA ASN 21 HA ASN 21 4.771 6.716 -0.852
152 1HB ASN 21 2HB ASN 21 7.567 5.795 -0.182
153 2HB ASN 21 1HB ASN 21 7.145 6.737 -1.607
154 1HD2 ASN 21 1HD2 ASN 21 5.228 7.486 1.160
155 2HD2 ASN 21 2HD2 ASN 21 6.032 8.913 1.605
156 H ALA 22 H ALA 22 3.648 5.404 -2.203
157 HA ALA 22 HA ALA 22 5.084 3.069 -3.351
158 1HB ALA 22 1HB ALA 22 3.068 1.662 -3.145
159 2HB ALA 22 2HB ALA 22 2.248 2.961 -2.277
160 3HB ALA 22 3HB ALA 22 3.644 2.158 -1.554
161 H MET 23 H MET 23 4.095 2.421 -5.446
162 HA MET 23 HA MET 23 3.240 3.006 -7.553
163 1HB MET 23 2HB MET 23 1.279 4.756 -6.064
164 2HB MET 23 1HB MET 23 1.040 3.923 -7.598
165 1HG MET 23 2HG MET 23 1.547 2.407 -5.030
166 2HG MET 23 1HG MET 23 -0.074 2.879 -5.530
167 1HE MET 23 1HE MET 23 2.172 0.211 -5.278
168 2HE MET 23 2HE MET 23 1.389 -0.998 -6.295
169 3HE MET 23 3HE MET 23 0.449 -0.137 -5.075
170 H GLY 24 H GLY 24 5.062 4.770 -5.849
171 1HA GLY 24 2HA GLY 24 6.316 6.719 -6.308
172 2HA GLY 24 1HA GLY 24 5.403 6.871 -7.810
173 H LYS 25 H LYS 25 3.604 6.449 -4.945
174 HA LYS 25 HA LYS 25 2.917 9.367 -4.854
175 1HB LYS 25 2HB LYS 25 1.084 6.968 -4.536
176 2HB LYS 25 1HB LYS 25 0.598 8.646 -4.333
177 1HG LYS 25 2HG LYS 25 1.892 8.544 -6.844
178 2HG LYS 25 1HG LYS 25 0.868 7.110 -6.783
179 1HD LYS 25 2HD LYS 25 -1.001 8.679 -5.964
180 2HD LYS 25 1HD LYS 25 0.042 10.002 -6.488
181 1HE LYS 25 2HE LYS 25 0.186 8.664 -8.732
182 2HE LYS 25 1HE LYS 25 -1.273 7.864 -8.146
183 1HZ LYS 25 1HZ LYS 25 -2.159 9.639 -9.249
184 2HZ LYS 25 2HZ LYS 25 -0.861 10.673 -8.886
185 3HZ LYS 25 3HZ LYS 25 -2.016 10.305 -7.696
186 H GLN 26 H GLN 26 1.086 8.966 -2.716
187 HA GLN 26 HA GLN 26 2.791 8.023 -0.454
188 1HB GLN 26 2HB GLN 26 1.434 10.695 -0.858
189 2HB GLN 26 1HB GLN 26 1.777 10.094 0.759
190 1HG GLN 26 2HG GLN 26 4.061 10.339 0.519
191 2HG GLN 26 1HG GLN 26 4.024 9.945 -1.196
192 1HE2 GLN 26 1HE2 GLN 26 1.647 12.254 -0.787
193 2HE2 GLN 26 2HE2 GLN 26 2.556 13.644 -1.124
194 H TRP 27 H TRP 27 1.463 7.031 1.209
195 HA TRP 27 HA TRP 27 -1.487 7.144 0.752
196 1HB TRP 27 2HB TRP 27 0.082 4.572 1.052
197 2HB TRP 27 1HB TRP 27 -1.656 4.717 0.809
198 HD1 TRP 27 HD TRP 27 1.676 5.321 -1.009
199 HE1 TRP 27 1HE TRP 27 1.225 5.339 -3.549
200 HE3 TRP 27 3HE TRP 27 -3.396 4.996 -0.985
201 HZ2 TRP 27 2HZ TRP 27 -1.017 5.231 -5.333
202 HZ3 TRP 27 3HZ TRP 27 -4.676 4.955 -3.095
203 HH2 TRP 27 HH TRP 27 -3.494 5.070 -5.277
204 H HIS 28 H HIS 28 -2.683 7.031 2.676
205 HA HIS 28 HA HIS 28 -1.371 7.501 5.167
206 1HB HIS 28 2HB HIS 28 -4.105 6.386 4.493
207 2HB HIS 28 1HB HIS 28 -3.554 6.492 6.161
208 HD2 HIS 28 2HD HIS 28 -2.685 9.319 6.795
209 HE1 HIS 28 1HE HIS 28 -5.546 10.882 4.113
210 HE2 HIS 28 2HE HIS 28 -3.994 11.449 6.041
211 H VAL 29 H VAL 29 -0.518 6.012 6.668
212 HA VAL 29 HA VAL 29 0.333 3.473 5.762
213 HB VAL 29 HB VAL 29 0.076 4.737 8.483
214 1HG1 VAL 29 1HG1 VAL 29 -0.361 2.470 9.034
215 2HG1 VAL 29 2HG1 VAL 29 1.375 2.663 9.282
216 3HG1 VAL 29 3HG1 VAL 29 0.774 1.872 7.824
217 1HG2 VAL 29 1HG2 VAL 29 2.480 3.624 7.025
218 2HG2 VAL 29 2HG2 VAL 29 2.463 4.758 8.368
219 3HG2 VAL 29 3HG2 VAL 29 1.903 5.274 6.774
220 H GLU 30 H GLU 30 -2.722 4.518 6.877
221 HA GLU 30 HA GLU 30 -3.566 1.774 7.579
222 1HB GLU 30 2HB GLU 30 -5.394 2.715 8.668
223 2HB GLU 30 1HB GLU 30 -4.189 3.988 8.857
224 1HG GLU 30 2HG GLU 30 -5.150 4.898 6.605
225 2HG GLU 30 1HG GLU 30 -6.538 3.879 6.975
226 H HIS 31 H HIS 31 -3.897 4.116 4.985
227 HA HIS 31 HA HIS 31 -6.075 2.525 3.750
228 1HB HIS 31 2HB HIS 31 -4.731 5.103 2.884
229 2HB HIS 31 1HB HIS 31 -6.013 4.305 1.982
230 HD2 HIS 31 2HD HIS 31 -7.720 3.543 4.884
231 HE1 HIS 31 1HE HIS 31 -8.160 7.735 5.021
232 HE2 HIS 31 2HE HIS 31 -9.040 5.535 5.921
233 H PHE 32 H PHE 32 -2.684 2.531 3.717
234 HA PHE 32 HA PHE 32 -2.475 1.684 0.916
235 1HB PHE 32 2HB PHE 32 -0.561 2.783 2.262
236 2HB PHE 32 1HB PHE 32 -0.362 1.205 3.029
237 HD1 PHE 32 1HD PHE 32 1.213 -0.215 2.043
238 HD2 PHE 32 2HD PHE 32 -0.948 2.554 -0.435
239 HE1 PHE 32 1HE PHE 32 2.418 -1.047 0.040
240 HE2 PHE 32 2HE PHE 32 0.256 1.715 -2.423
241 HZ PHE 32 HZ PHE 32 1.941 -0.086 -2.188
242 H VAL 33 H VAL 33 -3.514 -0.167 0.495
243 HA VAL 33 HA VAL 33 -2.979 -2.513 2.261
244 HB VAL 33 HB VAL 33 -5.305 -3.195 1.974
245 1HG1 VAL 33 1HG1 VAL 33 -4.498 -0.742 3.325
246 2HG1 VAL 33 2HG1 VAL 33 -5.613 -1.998 3.856
247 3HG1 VAL 33 3HG1 VAL 33 -6.193 -0.679 2.846
248 1HG2 VAL 33 1HG2 VAL 33 -5.482 -0.654 0.331
249 2HG2 VAL 33 2HG2 VAL 33 -6.890 -1.561 0.882
250 3HG2 VAL 33 3HG2 VAL 33 -5.745 -2.306 -0.234
251 H CYS 34 H CYS 34 -3.795 -4.536 1.136
252 HA CYS 34 HA CYS 34 -2.371 -4.925 -1.317
253 1HB CYS 34 2HB CYS 34 -2.674 -6.836 -0.008
254 2HB CYS 34 1HB CYS 34 -4.373 -6.503 0.277
255 H ALA 35 H ALA 35 -3.199 -5.176 -3.444
256 HA ALA 35 HA ALA 35 -5.700 -3.683 -3.941
257 1HB ALA 35 1HB ALA 35 -3.845 -4.874 -6.000
258 2HB ALA 35 2HB ALA 35 -3.480 -3.348 -5.196
259 3HB ALA 35 3HB ALA 35 -4.937 -3.502 -6.184
260 H LYS 36 H LYS 36 -5.690 -6.454 -2.797
261 HA LYS 36 HA LYS 36 -7.503 -7.682 -4.825
262 1HB LYS 36 2HB LYS 36 -5.277 -8.805 -4.958
263 2HB LYS 36 1HB LYS 36 -5.411 -9.224 -3.257
264 1HG LYS 36 2HG LYS 36 -6.107 -11.109 -4.669
265 2HG LYS 36 1HG LYS 36 -7.471 -10.497 -3.735
266 1HD LYS 36 2HD LYS 36 -8.534 -9.625 -5.595
267 2HD LYS 36 1HD LYS 36 -7.021 -9.312 -6.445
268 1HE LYS 36 2HE LYS 36 -7.885 -12.145 -5.908
269 2HE LYS 36 1HE LYS 36 -8.557 -11.259 -7.277
270 1HZ LYS 36 1HZ LYS 36 -6.008 -10.706 -7.613
271 2HZ LYS 36 2HZ LYS 36 -6.724 -12.102 -8.266
272 3HZ LYS 36 3HZ LYS 36 -5.833 -12.197 -6.823
273 H CYS 37 H CYS 37 -6.491 -7.389 -1.458
274 HA CYS 37 HA CYS 37 -9.181 -8.446 -0.648
275 1HB CYS 37 2HB CYS 37 -8.112 -9.461 1.318
276 2HB CYS 37 1HB CYS 37 -7.368 -10.066 -0.161
277 H GLU 38 H GLU 38 -6.941 -5.886 -0.512
278 HA GLU 38 HA GLU 38 -6.999 -3.857 0.583
279 1HB GLU 38 2HB GLU 38 -9.751 -4.725 1.514
280 2HB GLU 38 1HB GLU 38 -9.113 -3.084 1.526
281 1HG GLU 38 2HG GLU 38 -10.358 -3.112 -0.457
282 2HG GLU 38 1HG GLU 38 -8.732 -3.474 -1.034
283 H LYS 39 H LYS 39 -5.591 -5.815 1.866
284 HA LYS 39 HA LYS 39 -6.372 -5.581 4.733
285 1HB LYS 39 2HB LYS 39 -5.629 -7.818 3.495
286 2HB LYS 39 1HB LYS 39 -4.013 -7.201 3.827
287 1HG LYS 39 2HG LYS 39 -5.517 -6.858 6.224
288 2HG LYS 39 1HG LYS 39 -5.875 -8.477 5.642
289 1HD LYS 39 2HD LYS 39 -3.032 -7.471 5.785
290 2HD LYS 39 1HD LYS 39 -3.825 -8.172 7.193
291 1HE LYS 39 2HE LYS 39 -2.539 -9.866 5.897
292 2HE LYS 39 1HE LYS 39 -4.260 -10.242 5.971
293 1HZ LYS 39 1HZ LYS 39 -4.582 -9.480 3.792
294 2HZ LYS 39 2HZ LYS 39 -3.170 -10.424 3.724
295 3HZ LYS 39 3HZ LYS 39 -3.064 -8.728 3.729
296 HA PRO 40 HA PRO 40 -3.374 -2.217 4.399
297 1HB PRO 40 2HB PRO 40 -3.801 -1.495 7.091
298 2HB PRO 40 1HB PRO 40 -4.501 -0.721 5.688
299 1HG PRO 40 2HG PRO 40 -5.782 -2.425 7.642
300 2HG PRO 40 1HG PRO 40 -6.533 -1.540 6.319
301 1HD PRO 40 2HD PRO 40 -6.087 -4.370 6.504
302 2HD PRO 40 1HD PRO 40 -6.765 -3.482 5.130
303 H PHE 41 H PHE 41 -1.278 -2.100 4.893
304 HA PHE 41 HA PHE 41 -0.167 -4.142 6.766
305 1HB PHE 41 2HB PHE 41 1.587 -2.330 5.151
306 2HB PHE 41 1HB PHE 41 1.833 -4.014 5.602
307 HD1 PHE 41 1HD PHE 41 -0.057 -1.750 3.353
308 HD2 PHE 41 2HD PHE 41 1.044 -5.800 4.245
309 HE1 PHE 41 1HE PHE 41 -0.948 -2.478 1.152
310 HE2 PHE 41 2HE PHE 41 0.151 -6.526 2.060
311 HZ PHE 41 HZ PHE 41 -0.843 -4.875 0.506
312 H LEU 42 H LEU 42 -1.368 -2.321 8.278
313 HA LEU 42 HA LEU 42 -0.335 0.137 8.936
314 1HB LEU 42 2HB LEU 42 -1.262 -2.154 10.638
315 2HB LEU 42 1HB LEU 42 -0.546 -0.754 11.433
316 HG LEU 42 HG LEU 42 -2.174 0.726 10.301
317 1HD1 LEU 42 1HD1 LEU 42 -2.512 -0.421 8.256
318 2HD1 LEU 42 2HD1 LEU 42 -4.072 -0.431 9.086
319 3HD1 LEU 42 3HD1 LEU 42 -3.061 -1.880 9.085
320 1HD2 LEU 42 1HD2 LEU 42 -2.974 -0.004 12.415
321 2HD2 LEU 42 2HD2 LEU 42 -3.245 -1.648 11.833
322 3HD2 LEU 42 3HD2 LEU 42 -4.307 -0.342 11.308
323 H GLY 43 H GLY 43 1.018 -2.922 10.156
324 1HA GLY 43 2HA GLY 43 3.714 -1.632 10.190
325 2HA GLY 43 1HA GLY 43 3.147 -2.541 11.590
326 H HIS 44 H HIS 44 2.361 -3.481 8.315
327 HA HIS 44 HA HIS 44 4.138 -5.878 8.648
328 1HB HIS 44 2HB HIS 44 1.756 -5.970 6.838
329 2HB HIS 44 1HB HIS 44 2.474 -7.250 7.815
330 HD1 HIS 44 1HD HIS 44 -0.603 -5.923 7.735
331 HD2 HIS 44 2HD HIS 44 2.245 -5.794 10.774
332 HE1 HIS 44 1HE HIS 44 -1.870 -5.486 9.885
333 H ARG 45 H ARG 45 4.477 -6.924 6.349
334 HA ARG 45 HA ARG 45 5.669 -4.800 4.667
335 1HB ARG 45 2HB ARG 45 6.279 -7.121 3.377
336 2HB ARG 45 1HB ARG 45 7.245 -6.474 4.698
337 1HG ARG 45 2HG ARG 45 6.062 -7.846 6.310
338 2HG ARG 45 1HG ARG 45 4.951 -8.416 5.067
339 1HD ARG 45 2HD ARG 45 6.519 -10.165 5.214
340 2HD ARG 45 1HD ARG 45 7.106 -9.228 3.840
341 HE ARG 45 HE ARG 45 8.429 -8.119 6.008
342 1HH1 ARG 45 1HH2 ARG 45 7.968 -11.277 4.704
343 2HH1 ARG 45 2HH2 ARG 45 9.502 -11.870 5.246
344 1HH2 ARG 45 1HH1 ARG 45 10.436 -8.875 6.723
345 2HH2 ARG 45 2HH1 ARG 45 10.899 -10.510 6.389
346 H HIS 46 H HIS 46 5.165 -4.582 2.433
347 HA HIS 46 HA HIS 46 2.582 -5.859 1.604
348 1HB HIS 46 2HB HIS 46 2.351 -3.798 0.108
349 2HB HIS 46 1HB HIS 46 2.098 -3.544 1.829
350 HD1 HIS 46 1HD HIS 46 3.977 -2.267 3.138
351 HD2 HIS 46 2HD HIS 46 4.689 -2.602 -0.960
352 HE1 HIS 46 1HE HIS 46 5.879 -0.679 2.609
353 H TYR 47 H TYR 47 2.395 -5.849 -0.848
354 HA TYR 47 HA TYR 47 5.040 -6.257 -2.161
355 1HB TYR 47 2HB TYR 47 2.747 -8.196 -2.431
356 2HB TYR 47 1HB TYR 47 4.425 -8.439 -2.874
357 HD1 TYR 47 1HD TYR 47 5.973 -9.329 -1.296
358 HD2 TYR 47 2HD TYR 47 2.206 -7.777 0.063
359 HE1 TYR 47 1HE TYR 47 6.458 -10.108 1.009
360 HE2 TYR 47 2HE TYR 47 2.703 -8.560 2.351
361 HH TYR 47 HH TYR 47 5.381 -9.115 3.549
362 H GLU 48 H GLU 48 5.069 -5.290 -4.146
363 HA GLU 48 HA GLU 48 2.497 -4.216 -5.192
364 1HB GLU 48 2HB GLU 48 5.347 -3.557 -5.956
365 2HB GLU 48 1HB GLU 48 3.910 -2.743 -6.565
366 1HG GLU 48 2HG GLU 48 5.220 -2.550 -3.891
367 2HG GLU 48 1HG GLU 48 4.475 -1.294 -4.872
368 H ARG 49 H ARG 49 1.942 -4.351 -7.374
369 HA ARG 49 HA ARG 49 3.469 -6.132 -9.152
370 1HB ARG 49 2HB ARG 49 2.049 -7.690 -7.859
371 2HB ARG 49 1HB ARG 49 0.625 -6.803 -8.377
372 1HG ARG 49 2HG ARG 49 2.152 -7.382 -10.722
373 2HG ARG 49 1HG ARG 49 2.026 -8.873 -9.793
374 1HD ARG 49 2HD ARG 49 0.125 -8.443 -11.426
375 2HD ARG 49 1HD ARG 49 -0.355 -8.772 -9.769
376 HE ARG 49 HE ARG 49 -0.130 -5.991 -9.921
377 1HH1 ARG 49 1HH2 ARG 49 -1.840 -8.513 -11.532
378 2HH1 ARG 49 2HH2 ARG 49 -3.193 -7.513 -11.944
379 1HH2 ARG 49 1HH1 ARG 49 -1.886 -4.672 -10.447
380 2HH2 ARG 49 2HH1 ARG 49 -3.219 -5.339 -11.330
381 H LYS 50 H LYS 50 3.341 -5.297 -11.140
382 HA LYS 50 HA LYS 50 2.692 -3.925 -12.906
383 1HB LYS 50 2HB LYS 50 0.035 -4.969 -11.905
384 2HB LYS 50 1HB LYS 50 0.175 -3.966 -13.347
385 1HG LYS 50 2HG LYS 50 2.047 -5.778 -13.975
386 2HG LYS 50 1HG LYS 50 1.085 -6.785 -12.894
387 1HD LYS 50 2HD LYS 50 -0.183 -5.196 -15.135
388 2HD LYS 50 1HD LYS 50 0.453 -6.821 -15.389
389 1HE LYS 50 2HE LYS 50 -0.997 -7.618 -13.501
390 2HE LYS 50 1HE LYS 50 -1.715 -6.008 -13.437
391 1HZ LYS 50 1HZ LYS 50 -2.274 -8.138 -15.215
392 2HZ LYS 50 2HZ LYS 50 -1.771 -6.770 -16.088
393 3HZ LYS 50 3HZ LYS 50 -3.091 -6.663 -15.024
394 H GLY 51 H GLY 51 2.883 -2.796 -10.107
395 1HA GLY 51 2HA GLY 51 2.760 -0.509 -9.460
396 2HA GLY 51 1HA GLY 51 1.707 -0.212 -10.838
397 H LEU 52 H LEU 52 1.161 -2.797 -8.577
398 HA LEU 52 HA LEU 52 -0.972 -1.260 -7.213
399 1HB LEU 52 2HB LEU 52 -1.364 -3.715 -8.901
400 2HB LEU 52 1HB LEU 52 -2.423 -3.423 -7.527
401 HG LEU 52 HG LEU 52 -1.932 -1.488 -9.807
402 1HD1 LEU 52 1HD1 LEU 52 -4.113 -3.477 -9.187
403 2HD1 LEU 52 2HD1 LEU 52 -3.238 -3.239 -10.700
404 3HD1 LEU 52 3HD1 LEU 52 -4.437 -2.054 -10.179
405 1HD2 LEU 52 1HD2 LEU 52 -4.217 -0.681 -8.528
406 2HD2 LEU 52 2HD2 LEU 52 -2.617 -0.021 -8.189
407 3HD2 LEU 52 3HD2 LEU 52 -3.278 -1.297 -7.165
408 H ALA 53 H ALA 53 -1.243 -1.898 -5.102
409 HA ALA 53 HA ALA 53 0.851 -3.550 -3.991
410 1HB ALA 53 1HB ALA 53 0.074 -1.732 -2.639
411 2HB ALA 53 2HB ALA 53 -0.454 -3.213 -1.831
412 3HB ALA 53 3HB ALA 53 -1.602 -2.268 -2.787
413 H TYR 54 H TYR 54 0.637 -5.490 -2.841
414 HA TYR 54 HA TYR 54 -1.899 -6.950 -2.932
415 1HB TYR 54 2HB TYR 54 0.521 -7.760 -4.541
416 2HB TYR 54 1HB TYR 54 -0.679 -8.930 -4.012
417 HD1 TYR 54 1HD TYR 54 0.094 -6.268 -6.311
418 HD2 TYR 54 2HD TYR 54 -3.077 -8.653 -4.695
419 HE1 TYR 54 1HE TYR 54 -1.346 -5.597 -8.178
420 HE2 TYR 54 2HE TYR 54 -4.547 -7.955 -6.591
421 HH TYR 54 HH TYR 54 -4.174 -7.138 -8.994
422 H CYS 55 H CYS 55 -1.955 -8.441 -1.220
423 HA CYS 55 HA CYS 55 -0.015 -8.181 0.823
424 1HB CYS 55 2HB CYS 55 -1.926 -10.470 0.245
425 2HB CYS 55 1HB CYS 55 -0.969 -10.345 1.719
426 H GLU 56 H GLU 56 1.161 -10.352 1.621
427 HA GLU 56 HA GLU 56 3.242 -10.954 -0.246
428 1HB GLU 56 2HB GLU 56 3.300 -11.215 2.307
429 2HB GLU 56 1HB GLU 56 2.431 -12.723 2.071
430 1HG GLU 56 2HG GLU 56 4.210 -13.677 0.810
431 2HG GLU 56 1HG GLU 56 5.014 -12.119 0.623
432 H THR 57 H THR 57 0.272 -12.649 0.637
433 HA THR 57 HA THR 57 0.892 -14.924 -1.103
434 HB THR 57 HB THR 57 -1.550 -14.259 0.553
435 HG1 THR 57 1HG THR 57 -0.309 -16.423 1.344
436 1HG2 THR 57 1HG2 THR 57 -2.306 -15.671 -1.210
437 2HG2 THR 57 2HG2 THR 57 -2.020 -16.742 0.161
438 3HG2 THR 57 3HG2 THR 57 -0.842 -16.654 -1.148
439 H HIS 58 H HIS 58 -1.483 -12.249 -1.135
440 HA HIS 58 HA HIS 58 -2.759 -13.190 -3.513
441 1HB HIS 58 2HB HIS 58 -2.576 -10.384 -2.391
442 2HB HIS 58 1HB HIS 58 -3.672 -10.892 -3.671
443 HD2 HIS 58 2HD HIS 58 -4.682 -13.741 -2.344
444 HE1 HIS 58 1HE HIS 58 -5.925 -11.390 0.933
445 HE2 HIS 58 2HE HIS 58 -6.169 -13.644 -0.207
446 H TYR 59 H TYR 59 -0.111 -10.907 -2.926
447 HA TYR 59 HA TYR 59 0.354 -10.076 -5.553
448 1HB TYR 59 2HB TYR 59 1.677 -9.209 -3.716
449 2HB TYR 59 1HB TYR 59 2.276 -10.807 -3.321
450 HD1 TYR 59 1HD TYR 59 1.856 -9.472 -6.756
451 HD2 TYR 59 2HD TYR 59 4.626 -10.440 -3.620
452 HE1 TYR 59 1HE TYR 59 3.723 -9.168 -8.308
453 HE2 TYR 59 2HE TYR 59 6.511 -10.114 -5.192
454 HH TYR 59 HH TYR 59 6.501 -10.300 -8.124
455 H ASN 60 H ASN 60 1.768 -12.775 -3.794
456 HA ASN 60 HA ASN 60 2.962 -13.969 -6.070
457 1HB ASN 60 2HB ASN 60 2.223 -15.017 -3.342
458 2HB ASN 60 1HB ASN 60 2.927 -16.075 -4.566
459 1HD2 ASN 60 1HD2 ASN 60 3.634 -13.571 -2.251
460 2HD2 ASN 60 2HD2 ASN 60 5.291 -13.438 -2.593
461 H GLN 61 H GLN 61 -0.141 -14.585 -4.424
462 HA GLN 61 HA GLN 61 -0.987 -16.754 -6.061
463 1HB GLN 61 2HB GLN 61 -2.218 -15.643 -4.035
464 2HB GLN 61 1HB GLN 61 -2.905 -14.568 -5.254
465 1HG GLN 61 2HG GLN 61 -4.457 -16.367 -5.032
466 2HG GLN 61 1HG GLN 61 -3.578 -16.675 -6.531
467 1HE2 GLN 61 1HE2 GLN 61 -1.376 -17.245 -4.101
468 2HE2 GLN 61 2HE2 GLN 61 -1.614 -18.913 -3.895
469 H LEU 62 H LEU 62 -0.899 -13.316 -6.551
470 HA LEU 62 HA LEU 62 -2.250 -13.374 -9.132
471 1HB LEU 62 2HB LEU 62 -0.894 -11.335 -7.423
472 2HB LEU 62 1HB LEU 62 -0.986 -10.995 -9.144
473 HG LEU 62 HG LEU 62 -3.537 -11.721 -8.771
474 1HD1 LEU 62 1HD1 LEU 62 -3.302 -12.243 -6.395
475 2HD1 LEU 62 2HD1 LEU 62 -4.333 -10.829 -6.597
476 3HD1 LEU 62 3HD1 LEU 62 -2.659 -10.628 -6.087
477 1HD2 LEU 62 1HD2 LEU 62 -4.009 -9.281 -8.343
478 2HD2 LEU 62 2HD2 LEU 62 -2.911 -9.592 -9.688
479 3HD2 LEU 62 3HD2 LEU 62 -2.271 -9.059 -8.133
480 H PHE 63 H PHE 63 1.067 -13.448 -7.973
481 HA PHE 63 HA PHE 63 1.980 -14.376 -10.596
482 1HB PHE 63 2HB PHE 63 2.546 -11.616 -9.571
483 2HB PHE 63 1HB PHE 63 3.792 -12.447 -10.497
484 HD1 PHE 63 1HD PHE 63 0.616 -10.720 -10.616
485 HD2 PHE 63 2HD PHE 63 3.251 -13.294 -12.819
486 HE1 PHE 63 1HE PHE 63 -0.588 -10.157 -12.715
487 HE2 PHE 63 2HE PHE 63 2.053 -12.731 -14.917
488 HZ PHE 63 HZ PHE 63 0.133 -11.163 -14.864
489 H GLY 64 H GLY 64 3.847 -12.625 -8.189
490 1HA GLY 64 2HA GLY 64 5.357 -13.430 -6.548
491 2HA GLY 64 1HA GLY 64 4.803 -15.070 -6.889
492 H ASP 65 H ASP 65 5.816 -12.987 -9.485
493 HA ASP 65 HA ASP 65 8.584 -13.773 -9.556
494 1HB ASP 65 2HB ASP 65 7.582 -15.984 -10.058
495 2HB ASP 65 1HB ASP 65 6.719 -15.272 -11.423
496 H VAL 66 H VAL 66 6.641 -11.509 -10.080
497 HA VAL 66 HA VAL 66 6.464 -10.834 -12.803
498 HB VAL 66 HB VAL 66 5.485 -9.522 -10.896
499 1HG1 VAL 66 1HG1 VAL 66 7.710 -9.568 -9.616
500 2HG1 VAL 66 2HG1 VAL 66 6.837 -8.035 -9.619
501 3HG1 VAL 66 3HG1 VAL 66 8.225 -8.262 -10.683
502 1HG2 VAL 66 1HG2 VAL 66 5.737 -7.360 -11.986
503 2HG2 VAL 66 2HG2 VAL 66 5.697 -8.613 -13.226
504 3HG2 VAL 66 3HG2 VAL 66 7.234 -7.884 -12.759
Start of MODEL 4
1 1H GLY 1 1HT GLY 1 7.217 30.563 1.163
2 2H GLY 1 2HT GLY 1 5.800 30.546 2.100
3 3H GLY 1 3HT GLY 1 5.726 30.939 0.448
4 1HA GLY 1 2HA GLY 1 5.847 28.804 -0.237
5 2HA GLY 1 1HA GLY 1 6.864 28.343 1.128
6 H SER 2 H SER 2 5.272 26.494 1.224
7 HA SER 2 HA SER 2 3.316 27.010 3.303
8 1HB SER 2 2HB SER 2 1.330 26.295 2.013
9 2HB SER 2 1HB SER 2 2.018 27.777 1.354
10 HG SER 2 HG SER 2 2.232 26.722 -0.439
11 H MET 3 H MET 3 5.544 25.307 3.138
12 HA MET 3 HA MET 3 6.179 23.060 3.400
13 1HB MET 3 2HB MET 3 4.383 23.492 5.226
14 2HB MET 3 1HB MET 3 3.311 22.547 4.193
15 1HG MET 3 2HG MET 3 4.302 21.001 5.741
16 2HG MET 3 1HG MET 3 5.096 20.736 4.189
17 1HE MET 3 1HE MET 3 6.579 22.586 8.022
18 2HE MET 3 2HE MET 3 4.939 22.481 7.386
19 3HE MET 3 3HE MET 3 5.977 23.820 6.906
20 H GLY 4 H GLY 4 3.618 21.132 3.115
21 1HA GLY 4 2HA GLY 4 2.956 21.160 0.331
22 2HA GLY 4 1HA GLY 4 4.311 20.060 0.590
23 H VAL 5 H VAL 5 3.697 18.964 3.047
24 HA VAL 5 HA VAL 5 2.442 17.229 3.989
25 HB VAL 5 HB VAL 5 0.386 19.164 2.991
26 1HG1 VAL 5 1HG1 VAL 5 -0.829 17.236 2.431
27 2HG1 VAL 5 2HG1 VAL 5 -1.313 17.541 4.103
28 3HG1 VAL 5 3HG1 VAL 5 -0.126 16.295 3.749
29 1HG2 VAL 5 1HG2 VAL 5 1.099 17.920 5.658
30 2HG2 VAL 5 2HG2 VAL 5 -0.303 18.968 5.420
31 3HG2 VAL 5 3HG2 VAL 5 1.328 19.599 5.163
32 HA PRO 6 HA PRO 6 2.044 14.495 0.501
33 1HB PRO 6 2HB PRO 6 1.595 12.253 2.177
34 2HB PRO 6 1HB PRO 6 3.153 12.777 1.532
35 1HG PRO 6 2HG PRO 6 2.253 12.903 4.275
36 2HG PRO 6 1HG PRO 6 3.822 13.366 3.612
37 1HD PRO 6 2HD PRO 6 1.643 15.088 4.473
38 2HD PRO 6 1HD PRO 6 3.274 15.533 3.965
39 H ILE 7 H ILE 7 0.359 13.016 -0.281
40 HA ILE 7 HA ILE 7 -2.233 13.364 1.131
41 HB ILE 7 HB ILE 7 -1.577 14.092 -1.717
42 1HG1 ILE 7 2HG1 ILE 7 -3.209 15.393 0.464
43 2HG1 ILE 7 1HG1 ILE 7 -1.514 15.740 0.185
44 1HG2 ILE 7 1HG2 ILE 7 -3.459 12.676 -2.020
45 2HG2 ILE 7 2HG2 ILE 7 -4.147 14.296 -1.897
46 3HG2 ILE 7 3HG2 ILE 7 -4.200 13.206 -0.510
47 1HD1 ILE 7 1HD1 ILE 7 -3.524 16.012 -2.039
48 2HD1 ILE 7 2HD1 ILE 7 -1.952 16.797 -1.863
49 3HD1 ILE 7 3HD1 ILE 7 -3.311 17.304 -0.855
50 H CYS 8 H CYS 8 -3.062 11.466 1.493
51 HA CYS 8 HA CYS 8 -2.012 9.052 0.495
52 1HB CYS 8 2HB CYS 8 -3.216 9.024 2.560
53 2HB CYS 8 1HB CYS 8 -4.658 9.680 1.796
54 H GLY 9 H GLY 9 -2.170 8.219 -1.458
55 1HA GLY 9 2HA GLY 9 -3.929 9.259 -3.470
56 2HA GLY 9 1HA GLY 9 -2.947 7.808 -3.636
57 H ALA 10 H ALA 10 -4.653 7.410 -0.854
58 HA ALA 10 HA ALA 10 -6.533 5.571 -2.171
59 1HB ALA 10 1HB ALA 10 -5.171 5.262 0.086
60 2HB ALA 10 2HB ALA 10 -6.777 4.566 -0.094
61 3HB ALA 10 3HB ALA 10 -6.567 6.082 0.781
62 H CYS 11 H CYS 11 -6.635 8.548 -0.274
63 HA CYS 11 HA CYS 11 -9.497 8.861 -1.091
64 1HB CYS 11 2HB CYS 11 -9.580 10.238 1.159
65 2HB CYS 11 1HB CYS 11 -9.749 8.482 1.201
66 H ARG 12 H ARG 12 -6.475 9.953 -1.593
67 HA ARG 12 HA ARG 12 -5.572 11.981 -2.315
68 1HB ARG 12 2HB ARG 12 -8.483 12.635 -2.884
69 2HB ARG 12 1HB ARG 12 -7.079 13.426 -3.597
70 1HG ARG 12 2HG ARG 12 -7.418 10.444 -3.858
71 2HG ARG 12 1HG ARG 12 -8.286 11.529 -4.941
72 1HD ARG 12 2HD ARG 12 -5.281 11.461 -4.531
73 2HD ARG 12 1HD ARG 12 -6.149 10.868 -5.946
74 HE ARG 12 HE ARG 12 -6.947 13.512 -5.750
75 1HH1 ARG 12 1HH2 ARG 12 -3.953 11.804 -5.837
76 2HH1 ARG 12 2HH2 ARG 12 -3.092 13.087 -6.620
77 1HH2 ARG 12 1HH1 ARG 12 -5.839 15.197 -6.771
78 2HH2 ARG 12 2HH1 ARG 12 -4.159 15.008 -7.148
79 H ARG 13 H ARG 13 -6.053 11.746 0.440
80 HA ARG 13 HA ARG 13 -6.951 14.501 1.174
81 1HB ARG 13 2HB ARG 13 -7.162 11.852 2.572
82 2HB ARG 13 1HB ARG 13 -7.066 13.324 3.540
83 1HG ARG 13 2HG ARG 13 -8.980 14.248 2.200
84 2HG ARG 13 1HG ARG 13 -9.130 12.676 1.416
85 1HD ARG 13 2HD ARG 13 -9.287 11.703 3.795
86 2HD ARG 13 1HD ARG 13 -9.555 13.364 4.324
87 HE ARG 13 HE ARG 13 -11.393 13.019 2.281
88 1HH1 ARG 13 1HH2 ARG 13 -10.537 11.361 5.180
89 2HH1 ARG 13 2HH2 ARG 13 -12.138 10.767 5.471
90 1HH2 ARG 13 1HH1 ARG 13 -13.488 12.253 2.644
91 2HH2 ARG 13 2HH1 ARG 13 -13.808 11.272 4.034
92 HA PRO 14 HA PRO 14 -2.761 15.365 2.197
93 1HB PRO 14 2HB PRO 14 -3.501 16.948 4.502
94 2HB PRO 14 1HB PRO 14 -2.938 17.502 2.923
95 1HG PRO 14 2HG PRO 14 -5.585 17.692 3.957
96 2HG PRO 14 1HG PRO 14 -5.013 18.147 2.343
97 1HD PRO 14 2HD PRO 14 -6.672 15.881 3.061
98 2HD PRO 14 1HD PRO 14 -6.125 16.377 1.446
99 H ILE 15 H ILE 15 -1.617 13.698 3.064
100 HA ILE 15 HA ILE 15 -2.515 12.283 5.438
101 HB ILE 15 HB ILE 15 0.166 12.237 4.005
102 1HG1 ILE 15 2HG1 ILE 15 -1.821 10.007 3.961
103 2HG1 ILE 15 1HG1 ILE 15 -2.160 11.423 2.972
104 1HG2 ILE 15 1HG2 ILE 15 0.175 9.912 5.234
105 2HG2 ILE 15 2HG2 ILE 15 -0.950 10.702 6.339
106 3HG2 ILE 15 3HG2 ILE 15 0.671 11.357 6.120
107 1HD1 ILE 15 1HD1 ILE 15 0.591 10.243 2.860
108 2HD1 ILE 15 2HD1 ILE 15 -0.317 11.083 1.606
109 3HD1 ILE 15 3HD1 ILE 15 -0.715 9.412 2.009
110 H GLU 16 H GLU 16 -1.269 12.246 7.529
111 HA GLU 16 HA GLU 16 0.530 14.523 8.011
112 1HB GLU 16 2HB GLU 16 -1.071 15.343 9.896
113 2HB GLU 16 1HB GLU 16 -1.410 15.822 8.232
114 1HG GLU 16 2HG GLU 16 -3.130 14.201 7.998
115 2HG GLU 16 1HG GLU 16 -2.619 13.335 9.447
116 H GLY 17 H GLY 17 1.439 12.160 8.417
117 1HA GLY 17 2HA GLY 17 2.053 11.954 11.182
118 2HA GLY 17 1HA GLY 17 0.815 10.753 10.808
119 H ARG 18 H ARG 18 1.387 8.957 9.697
120 HA ARG 18 HA ARG 18 4.248 8.722 8.855
121 1HB ARG 18 2HB ARG 18 2.243 6.740 9.925
122 2HB ARG 18 1HB ARG 18 3.585 6.185 8.921
123 1HG ARG 18 2HG ARG 18 5.171 7.325 10.468
124 2HG ARG 18 1HG ARG 18 3.809 7.759 11.501
125 1HD ARG 18 2HD ARG 18 3.514 5.600 12.253
126 2HD ARG 18 1HD ARG 18 4.078 4.883 10.743
127 HE ARG 18 HE ARG 18 6.351 6.055 11.788
128 1HH1 ARG 18 1HH2 ARG 18 3.924 3.881 12.913
129 2HH1 ARG 18 2HH2 ARG 18 4.991 3.031 13.980
130 1HH2 ARG 18 1HH1 ARG 18 7.760 4.957 13.176
131 2HH2 ARG 18 2HH1 ARG 18 7.162 3.640 14.129
132 H VAL 19 H VAL 19 4.603 8.344 6.678
133 HA VAL 19 HA VAL 19 2.149 8.024 4.987
134 HB VAL 19 HB VAL 19 4.797 9.307 4.260
135 1HG1 VAL 19 1HG1 VAL 19 2.304 8.644 2.767
136 2HG1 VAL 19 2HG1 VAL 19 3.962 8.788 2.180
137 3HG1 VAL 19 3HG1 VAL 19 2.996 10.237 2.470
138 1HG2 VAL 19 1HG2 VAL 19 3.858 11.391 4.704
139 2HG2 VAL 19 2HG2 VAL 19 3.134 10.432 5.994
140 3HG2 VAL 19 3HG2 VAL 19 2.208 10.794 4.538
141 H VAL 20 H VAL 20 2.391 6.812 3.011
142 HA VAL 20 HA VAL 20 4.636 4.836 3.071
143 HB VAL 20 HB VAL 20 1.686 4.416 2.640
144 1HG1 VAL 20 1HG1 VAL 20 2.530 2.069 1.789
145 2HG1 VAL 20 2HG1 VAL 20 3.980 2.967 1.336
146 3HG1 VAL 20 3HG1 VAL 20 2.416 3.412 0.653
147 1HG2 VAL 20 1HG2 VAL 20 1.947 2.722 4.251
148 2HG2 VAL 20 2HG2 VAL 20 3.072 3.957 4.812
149 3HG2 VAL 20 3HG2 VAL 20 3.673 2.555 3.932
150 H ASN 21 H ASN 21 5.881 5.213 1.308
151 HA ASN 21 HA ASN 21 4.708 6.674 -0.967
152 1HB ASN 21 2HB ASN 21 7.531 5.780 -0.382
153 2HB ASN 21 1HB ASN 21 7.062 6.713 -1.798
154 1HD2 ASN 21 1HD2 ASN 21 5.921 7.035 1.598
155 2HD2 ASN 21 2HD2 ASN 21 6.421 8.647 1.773
156 H ALA 22 H ALA 22 3.559 5.372 -2.294
157 HA ALA 22 HA ALA 22 4.968 3.060 -3.515
158 1HB ALA 22 1HB ALA 22 3.100 1.571 -3.189
159 2HB ALA 22 2HB ALA 22 2.118 2.868 -2.507
160 3HB ALA 22 3HB ALA 22 3.504 2.245 -1.608
161 H MET 23 H MET 23 3.923 2.442 -5.590
162 HA MET 23 HA MET 23 2.995 3.051 -7.658
163 1HB MET 23 2HB MET 23 1.087 4.795 -6.098
164 2HB MET 23 1HB MET 23 0.797 3.967 -7.625
165 1HG MET 23 2HG MET 23 1.400 2.408 -5.112
166 2HG MET 23 1HG MET 23 -0.235 2.944 -5.480
167 1HE MET 23 1HE MET 23 2.022 0.288 -5.480
168 2HE MET 23 2HE MET 23 1.279 -0.914 -6.532
169 3HE MET 23 3HE MET 23 0.349 -0.218 -5.206
170 H GLY 24 H GLY 24 4.900 4.777 -6.024
171 1HA GLY 24 2HA GLY 24 6.122 6.746 -6.473
172 2HA GLY 24 1HA GLY 24 5.186 6.895 -7.963
173 H LYS 25 H LYS 25 3.546 6.497 -4.968
174 HA LYS 25 HA LYS 25 2.811 9.401 -4.902
175 1HB LYS 25 2HB LYS 25 0.979 7.003 -4.565
176 2HB LYS 25 1HB LYS 25 0.497 8.683 -4.363
177 1HG LYS 25 2HG LYS 25 1.763 8.582 -6.884
178 2HG LYS 25 1HG LYS 25 0.751 7.139 -6.811
179 1HD LYS 25 2HD LYS 25 -1.148 8.629 -6.043
180 2HD LYS 25 1HD LYS 25 -0.120 10.012 -6.418
181 1HE LYS 25 2HE LYS 25 -1.241 7.944 -8.306
182 2HE LYS 25 1HE LYS 25 -1.383 9.700 -8.390
183 1HZ LYS 25 1HZ LYS 25 1.183 8.234 -8.649
184 2HZ LYS 25 2HZ LYS 25 0.914 9.890 -8.919
185 3HZ LYS 25 3HZ LYS 25 0.245 8.735 -9.970
186 H GLN 26 H GLN 26 1.003 8.970 -2.740
187 HA GLN 26 HA GLN 26 2.741 8.028 -0.507
188 1HB GLN 26 2HB GLN 26 1.362 10.694 -0.874
189 2HB GLN 26 1HB GLN 26 1.736 10.086 0.732
190 1HG GLN 26 2HG GLN 26 4.002 10.390 0.472
191 2HG GLN 26 1HG GLN 26 3.967 9.932 -1.226
192 1HE2 GLN 26 1HE2 GLN 26 1.571 12.258 -0.796
193 2HE2 GLN 26 2HE2 GLN 26 2.466 13.633 -1.225
194 H TRP 27 H TRP 27 1.429 7.050 1.184
195 HA TRP 27 HA TRP 27 -1.522 7.103 0.709
196 1HB TRP 27 2HB TRP 27 0.133 4.587 1.031
197 2HB TRP 27 1HB TRP 27 -1.615 4.662 0.817
198 HD1 TRP 27 HD TRP 27 1.665 5.356 -1.057
199 HE1 TRP 27 1HE TRP 27 1.173 5.368 -3.591
200 HE3 TRP 27 3HE TRP 27 -3.397 4.906 -0.956
201 HZ2 TRP 27 2HZ TRP 27 -1.090 5.209 -5.338
202 HZ3 TRP 27 3HZ TRP 27 -4.706 4.834 -3.048
203 HH2 TRP 27 HH TRP 27 -3.561 4.987 -5.244
204 H HIS 28 H HIS 28 -2.736 6.996 2.615
205 HA HIS 28 HA HIS 28 -1.475 7.483 5.131
206 1HB HIS 28 2HB HIS 28 -4.196 6.392 4.381
207 2HB HIS 28 1HB HIS 28 -3.704 6.491 6.066
208 HD2 HIS 28 2HD HIS 28 -2.736 9.343 6.644
209 HE1 HIS 28 1HE HIS 28 -5.652 10.883 4.007
210 HE2 HIS 28 2HE HIS 28 -4.041 11.473 5.880
211 H VAL 29 H VAL 29 -0.498 6.021 6.531
212 HA VAL 29 HA VAL 29 0.334 3.488 5.688
213 HB VAL 29 HB VAL 29 -0.123 4.532 8.493
214 1HG1 VAL 29 1HG1 VAL 29 -0.049 2.155 8.657
215 2HG1 VAL 29 2HG1 VAL 29 1.572 2.720 9.069
216 3HG1 VAL 29 3HG1 VAL 29 1.252 2.043 7.472
217 1HG2 VAL 29 1HG2 VAL 29 1.921 4.932 6.427
218 2HG2 VAL 29 2HG2 VAL 29 2.609 4.352 7.945
219 3HG2 VAL 29 3HG2 VAL 29 1.643 5.824 7.918
220 H GLU 30 H GLU 30 -2.706 4.488 6.985
221 HA GLU 30 HA GLU 30 -3.524 1.728 7.595
222 1HB GLU 30 2HB GLU 30 -5.435 4.036 7.645
223 2HB GLU 30 1HB GLU 30 -5.350 2.634 8.711
224 1HG GLU 30 2HG GLU 30 -3.384 4.944 8.653
225 2HG GLU 30 1HG GLU 30 -4.606 4.652 9.889
226 H HIS 31 H HIS 31 -3.867 4.057 5.011
227 HA HIS 31 HA HIS 31 -6.076 2.469 3.813
228 1HB HIS 31 2HB HIS 31 -4.818 5.035 2.802
229 2HB HIS 31 1HB HIS 31 -6.312 4.293 2.233
230 HD2 HIS 31 2HD HIS 31 -7.132 3.635 5.583
231 HE1 HIS 31 1HE HIS 31 -7.696 7.814 5.547
232 HE2 HIS 31 2HE HIS 31 -8.212 5.671 6.799
233 H PHE 32 H PHE 32 -2.706 2.451 3.702
234 HA PHE 32 HA PHE 32 -2.570 1.747 0.849
235 1HB PHE 32 2HB PHE 32 -0.617 2.810 2.126
236 2HB PHE 32 1HB PHE 32 -0.405 1.241 2.907
237 HD1 PHE 32 1HD PHE 32 1.169 -0.164 1.914
238 HD2 PHE 32 2HD PHE 32 -1.077 2.521 -0.573
239 HE1 PHE 32 1HE PHE 32 2.328 -1.045 -0.092
240 HE2 PHE 32 2HE PHE 32 0.086 1.647 -2.569
241 HZ PHE 32 HZ PHE 32 1.793 -0.136 -2.333
242 H VAL 33 H VAL 33 -3.690 -0.066 0.440
243 HA VAL 33 HA VAL 33 -3.113 -2.479 2.106
244 HB VAL 33 HB VAL 33 -5.443 -3.146 1.752
245 1HG1 VAL 33 1HG1 VAL 33 -5.787 -2.015 3.673
246 2HG1 VAL 33 2HG1 VAL 33 -6.314 -0.644 2.701
247 3HG1 VAL 33 3HG1 VAL 33 -4.633 -0.759 3.216
248 1HG2 VAL 33 1HG2 VAL 33 -5.840 -2.166 -0.426
249 2HG2 VAL 33 2HG2 VAL 33 -5.570 -0.540 0.208
250 3HG2 VAL 33 3HG2 VAL 33 -6.997 -1.453 0.700
251 H CYS 34 H CYS 34 -4.020 -4.450 0.899
252 HA CYS 34 HA CYS 34 -2.533 -4.827 -1.526
253 1HB CYS 34 2HB CYS 34 -2.896 -6.753 -0.281
254 2HB CYS 34 1HB CYS 34 -4.585 -6.383 0.016
255 H ALA 35 H ALA 35 -3.294 -5.024 -3.660
256 HA ALA 35 HA ALA 35 -5.747 -3.472 -4.230
257 1HB ALA 35 1HB ALA 35 -3.890 -4.665 -6.278
258 2HB ALA 35 2HB ALA 35 -3.427 -3.218 -5.380
259 3HB ALA 35 3HB ALA 35 -4.871 -3.204 -6.397
260 H LYS 36 H LYS 36 -5.805 -6.247 -3.133
261 HA LYS 36 HA LYS 36 -7.474 -7.488 -5.285
262 1HB LYS 36 2HB LYS 36 -5.012 -8.471 -4.490
263 2HB LYS 36 1HB LYS 36 -6.114 -9.394 -3.485
264 1HG LYS 36 2HG LYS 36 -6.386 -9.118 -6.492
265 2HG LYS 36 1HG LYS 36 -5.625 -10.479 -5.679
266 1HD LYS 36 2HD LYS 36 -7.725 -10.913 -4.457
267 2HD LYS 36 1HD LYS 36 -8.489 -9.582 -5.325
268 1HE LYS 36 2HE LYS 36 -7.968 -10.745 -7.475
269 2HE LYS 36 1HE LYS 36 -7.343 -12.108 -6.546
270 1HZ LYS 36 1HZ LYS 36 -9.462 -12.804 -6.741
271 2HZ LYS 36 2HZ LYS 36 -10.088 -11.239 -6.954
272 3HZ LYS 36 3HZ LYS 36 -9.707 -11.799 -5.397
273 H CYS 37 H CYS 37 -6.701 -7.290 -1.838
274 HA CYS 37 HA CYS 37 -9.521 -8.122 -1.235
275 1HB CYS 37 2HB CYS 37 -8.681 -9.250 0.751
276 2HB CYS 37 1HB CYS 37 -7.792 -9.828 -0.655
277 H GLU 38 H GLU 38 -7.040 -5.771 -0.792
278 HA GLU 38 HA GLU 38 -7.142 -3.701 0.247
279 1HB GLU 38 2HB GLU 38 -9.867 -4.346 1.355
280 2HB GLU 38 1HB GLU 38 -9.200 -2.780 0.904
281 1HG GLU 38 2HG GLU 38 -9.058 -3.941 -1.503
282 2HG GLU 38 1HG GLU 38 -10.379 -4.904 -0.839
283 H LYS 39 H LYS 39 -5.818 -5.730 1.507
284 HA LYS 39 HA LYS 39 -6.633 -5.551 4.365
285 1HB LYS 39 2HB LYS 39 -4.983 -7.454 2.766
286 2HB LYS 39 1HB LYS 39 -4.502 -7.192 4.443
287 1HG LYS 39 2HG LYS 39 -7.164 -7.512 4.812
288 2HG LYS 39 1HG LYS 39 -6.959 -8.485 3.358
289 1HD LYS 39 2HD LYS 39 -4.971 -9.571 4.592
290 2HD LYS 39 1HD LYS 39 -5.635 -8.821 6.045
291 1HE LYS 39 2HE LYS 39 -6.576 -11.020 5.954
292 2HE LYS 39 1HE LYS 39 -7.856 -9.921 5.440
293 1HZ LYS 39 1HZ LYS 39 -7.223 -12.052 4.057
294 2HZ LYS 39 2HZ LYS 39 -6.079 -10.993 3.383
295 3HZ LYS 39 3HZ LYS 39 -7.735 -10.623 3.301
296 HA PRO 40 HA PRO 40 -3.574 -2.259 4.276
297 1HB PRO 40 2HB PRO 40 -4.064 -1.636 6.974
298 2HB PRO 40 1HB PRO 40 -4.744 -0.813 5.589
299 1HG PRO 40 2HG PRO 40 -6.051 -2.588 7.460
300 2HG PRO 40 1HG PRO 40 -6.785 -1.655 6.161
301 1HD PRO 40 2HD PRO 40 -6.316 -4.492 6.246
302 2HD PRO 40 1HD PRO 40 -7.008 -3.563 4.908
303 H PHE 41 H PHE 41 -1.495 -2.277 4.780
304 HA PHE 41 HA PHE 41 -0.503 -4.384 6.643
305 1HB PHE 41 2HB PHE 41 1.376 -2.659 5.086
306 2HB PHE 41 1HB PHE 41 1.477 -4.379 5.457
307 HD1 PHE 41 1HD PHE 41 -0.351 -5.901 4.375
308 HD2 PHE 41 2HD PHE 41 0.683 -1.989 2.966
309 HE1 PHE 41 1HE PHE 41 -1.292 -6.456 2.145
310 HE2 PHE 41 2HE PHE 41 -0.254 -2.534 0.737
311 HZ PHE 41 HZ PHE 41 -1.232 -4.770 0.324
312 H LEU 42 H LEU 42 -1.605 -2.640 8.203
313 HA LEU 42 HA LEU 42 -0.585 -0.185 8.901
314 1HB LEU 42 2HB LEU 42 -1.487 -2.516 10.563
315 2HB LEU 42 1HB LEU 42 -0.791 -1.118 11.378
316 HG LEU 42 HG LEU 42 -2.440 0.356 10.299
317 1HD1 LEU 42 1HD1 LEU 42 -3.248 -2.207 8.946
318 2HD1 LEU 42 2HD1 LEU 42 -2.744 -0.685 8.203
319 3HD1 LEU 42 3HD1 LEU 42 -4.308 -0.795 9.018
320 1HD2 LEU 42 1HD2 LEU 42 -3.270 -0.465 12.362
321 2HD2 LEU 42 2HD2 LEU 42 -3.487 -2.094 11.720
322 3HD2 LEU 42 3HD2 LEU 42 -4.573 -0.797 11.220
323 H GLY 43 H GLY 43 0.808 -3.251 10.083
324 1HA GLY 43 2HA GLY 43 3.470 -1.881 10.196
325 2HA GLY 43 1HA GLY 43 2.922 -2.923 11.508
326 H HIS 44 H HIS 44 2.129 -3.719 8.217
327 HA HIS 44 HA HIS 44 4.061 -6.008 8.368
328 1HB HIS 44 2HB HIS 44 1.262 -5.776 7.287
329 2HB HIS 44 1HB HIS 44 2.357 -6.992 6.630
330 HD1 HIS 44 1HD HIS 44 1.430 -9.090 7.699
331 HD2 HIS 44 2HD HIS 44 2.107 -6.061 10.478
332 HE1 HIS 44 1HE HIS 44 1.082 -10.126 9.983
333 H ARG 45 H ARG 45 4.933 -6.724 6.283
334 HA ARG 45 HA ARG 45 5.799 -4.475 4.647
335 1HB ARG 45 2HB ARG 45 7.456 -6.121 4.854
336 2HB ARG 45 1HB ARG 45 6.305 -7.443 4.675
337 1HG ARG 45 2HG ARG 45 6.114 -7.089 2.322
338 2HG ARG 45 1HG ARG 45 6.923 -5.527 2.417
339 1HD ARG 45 2HD ARG 45 8.985 -6.741 3.226
340 2HD ARG 45 1HD ARG 45 8.155 -8.257 2.870
341 HE ARG 45 HE ARG 45 7.966 -6.827 0.504
342 1HH1 ARG 45 1HH2 ARG 45 10.481 -7.767 2.667
343 2HH1 ARG 45 2HH2 ARG 45 11.689 -7.872 1.429
344 1HH2 ARG 45 1HH1 ARG 45 9.528 -6.959 -1.125
345 2HH2 ARG 45 2HH1 ARG 45 11.148 -7.415 -0.718
346 H HIS 46 H HIS 46 5.377 -4.272 2.329
347 HA HIS 46 HA HIS 46 2.814 -5.589 1.500
348 1HB HIS 46 2HB HIS 46 2.574 -3.555 -0.020
349 2HB HIS 46 1HB HIS 46 2.331 -3.281 1.695
350 HD1 HIS 46 1HD HIS 46 4.444 -2.244 3.020
351 HD2 HIS 46 2HD HIS 46 4.659 -2.092 -1.142
352 HE1 HIS 46 1HE HIS 46 6.271 -0.581 2.458
353 H TYR 47 H TYR 47 2.590 -5.597 -0.926
354 HA TYR 47 HA TYR 47 5.196 -6.061 -2.298
355 1HB TYR 47 2HB TYR 47 2.809 -7.903 -2.495
356 2HB TYR 47 1HB TYR 47 4.432 -8.194 -3.089
357 HD1 TYR 47 1HD TYR 47 5.979 -9.339 -1.719
358 HD2 TYR 47 2HD TYR 47 2.584 -7.422 0.082
359 HE1 TYR 47 1HE TYR 47 6.641 -10.215 0.504
360 HE2 TYR 47 2HE TYR 47 3.261 -8.298 2.292
361 HH TYR 47 HH TYR 47 5.950 -10.555 2.628
362 H GLU 48 H GLU 48 5.185 -5.299 -4.413
363 HA GLU 48 HA GLU 48 2.611 -4.085 -5.343
364 1HB GLU 48 2HB GLU 48 5.484 -3.271 -5.568
365 2HB GLU 48 1HB GLU 48 4.359 -2.763 -6.828
366 1HG GLU 48 2HG GLU 48 2.881 -1.788 -5.108
367 2HG GLU 48 1HG GLU 48 4.025 -2.268 -3.856
368 H ARG 49 H ARG 49 1.917 -4.372 -7.431
369 HA ARG 49 HA ARG 49 3.551 -6.027 -9.274
370 1HB ARG 49 2HB ARG 49 2.254 -7.744 -8.246
371 2HB ARG 49 1HB ARG 49 0.800 -6.757 -8.279
372 1HG ARG 49 2HG ARG 49 0.509 -6.993 -10.586
373 2HG ARG 49 1HG ARG 49 2.196 -7.424 -10.846
374 1HD ARG 49 2HD ARG 49 0.334 -9.156 -9.247
375 2HD ARG 49 1HD ARG 49 0.472 -9.325 -10.992
376 HE ARG 49 HE ARG 49 2.284 -10.367 -9.030
377 1HH1 ARG 49 1HH2 ARG 49 2.308 -8.656 -12.029
378 2HH1 ARG 49 2HH2 ARG 49 3.947 -9.075 -12.395
379 1HH2 ARG 49 1HH1 ARG 49 4.405 -10.925 -9.502
380 2HH2 ARG 49 2HH1 ARG 49 5.131 -10.360 -10.970
381 H LYS 50 H LYS 50 3.243 -5.454 -11.380
382 HA LYS 50 HA LYS 50 2.629 -4.026 -13.133
383 1HB LYS 50 2HB LYS 50 -0.050 -4.937 -12.046
384 2HB LYS 50 1HB LYS 50 0.146 -4.089 -13.580
385 1HG LYS 50 2HG LYS 50 1.853 -5.949 -14.164
386 2HG LYS 50 1HG LYS 50 1.141 -6.833 -12.814
387 1HD LYS 50 2HD LYS 50 -0.428 -5.714 -15.154
388 2HD LYS 50 1HD LYS 50 0.068 -7.399 -14.992
389 1HE LYS 50 2HE LYS 50 -1.142 -7.380 -12.732
390 2HE LYS 50 1HE LYS 50 -1.854 -5.851 -13.247
391 1HZ LYS 50 1HZ LYS 50 -2.403 -8.539 -14.150
392 2HZ LYS 50 2HZ LYS 50 -2.245 -7.400 -15.401
393 3HZ LYS 50 3HZ LYS 50 -3.393 -7.162 -14.173
394 H GLY 51 H GLY 51 2.833 -2.919 -10.322
395 1HA GLY 51 2HA GLY 51 2.804 -0.625 -9.673
396 2HA GLY 51 1HA GLY 51 1.732 -0.291 -11.027
397 H LEU 52 H LEU 52 1.161 -2.886 -8.782
398 HA LEU 52 HA LEU 52 -0.954 -1.311 -7.412
399 1HB LEU 52 2HB LEU 52 -1.314 -3.846 -8.991
400 2HB LEU 52 1HB LEU 52 -2.375 -3.499 -7.629
401 HG LEU 52 HG LEU 52 -1.924 -1.698 -10.026
402 1HD1 LEU 52 1HD1 LEU 52 -4.423 -2.285 -10.331
403 2HD1 LEU 52 2HD1 LEU 52 -4.107 -3.622 -9.223
404 3HD1 LEU 52 3HD1 LEU 52 -3.240 -3.524 -10.756
405 1HD2 LEU 52 1HD2 LEU 52 -3.247 -1.338 -7.385
406 2HD2 LEU 52 2HD2 LEU 52 -4.179 -0.793 -8.782
407 3HD2 LEU 52 3HD2 LEU 52 -2.573 -0.131 -8.482
408 H ALA 53 H ALA 53 -1.275 -1.936 -5.284
409 HA ALA 53 HA ALA 53 0.880 -3.491 -4.107
410 1HB ALA 53 1HB ALA 53 -0.395 -3.053 -1.960
411 2HB ALA 53 2HB ALA 53 -1.589 -2.196 -2.943
412 3HB ALA 53 3HB ALA 53 0.073 -1.604 -2.857
413 H TYR 54 H TYR 54 0.684 -5.396 -2.880
414 HA TYR 54 HA TYR 54 -1.854 -6.872 -2.903
415 1HB TYR 54 2HB TYR 54 0.586 -7.717 -4.465
416 2HB TYR 54 1HB TYR 54 -0.609 -8.880 -3.906
417 HD1 TYR 54 1HD TYR 54 0.180 -6.358 -6.334
418 HD2 TYR 54 2HD TYR 54 -3.018 -8.571 -4.563
419 HE1 TYR 54 1HE TYR 54 -1.264 -5.778 -8.230
420 HE2 TYR 54 2HE TYR 54 -4.492 -7.965 -6.478
421 HH TYR 54 HH TYR 54 -3.232 -6.414 -9.328
422 H CYS 55 H CYS 55 -1.938 -8.187 -1.056
423 HA CYS 55 HA CYS 55 0.046 -7.872 0.939
424 1HB CYS 55 2HB CYS 55 -1.653 -10.378 0.680
425 2HB CYS 55 1HB CYS 55 -1.032 -9.643 2.155
426 H GLU 56 H GLU 56 1.341 -9.897 1.803
427 HA GLU 56 HA GLU 56 3.277 -10.705 -0.112
428 1HB GLU 56 2HB GLU 56 3.496 -10.828 2.420
429 2HB GLU 56 1HB GLU 56 2.505 -12.276 2.361
430 1HG GLU 56 2HG GLU 56 4.122 -13.481 1.126
431 2HG GLU 56 1HG GLU 56 4.998 -12.017 0.681
432 H THR 57 H THR 57 0.236 -12.179 0.865
433 HA THR 57 HA THR 57 0.769 -14.637 -0.640
434 HB THR 57 HB THR 57 -1.702 -13.701 0.832
435 HG1 THR 57 1HG THR 57 -0.580 -15.782 1.943
436 1HG2 THR 57 1HG2 THR 57 -0.985 -16.312 -0.515
437 2HG2 THR 57 2HG2 THR 57 -2.396 -15.295 -0.810
438 3HG2 THR 57 3HG2 THR 57 -2.253 -16.185 0.706
439 H HIS 58 H HIS 58 -1.574 -11.941 -0.942
440 HA HIS 58 HA HIS 58 -2.745 -13.013 -3.308
441 1HB HIS 58 2HB HIS 58 -2.616 -10.209 -2.201
442 2HB HIS 58 1HB HIS 58 -3.508 -10.615 -3.666
443 HD2 HIS 58 2HD HIS 58 -4.784 -13.500 -2.567
444 HE1 HIS 58 1HE HIS 58 -6.488 -11.143 0.490
445 HE2 HIS 58 2HE HIS 58 -6.578 -13.392 -0.680
446 H TYR 59 H TYR 59 -0.054 -10.777 -2.769
447 HA TYR 59 HA TYR 59 0.455 -10.104 -5.453
448 1HB TYR 59 2HB TYR 59 1.734 -9.111 -3.635
449 2HB TYR 59 1HB TYR 59 2.331 -10.678 -3.134
450 HD1 TYR 59 1HD TYR 59 1.974 -9.472 -6.636
451 HD2 TYR 59 2HD TYR 59 4.678 -10.403 -3.430
452 HE1 TYR 59 1HE TYR 59 3.860 -9.270 -8.166
453 HE2 TYR 59 2HE TYR 59 6.589 -10.181 -4.991
454 HH TYR 59 HH TYR 59 6.747 -8.694 -7.507
455 H ASN 60 H ASN 60 1.852 -12.648 -3.459
456 HA ASN 60 HA ASN 60 3.088 -14.016 -5.601
457 1HB ASN 60 2HB ASN 60 2.268 -14.861 -2.828
458 2HB ASN 60 1HB ASN 60 3.001 -16.005 -3.948
459 1HD2 ASN 60 1HD2 ASN 60 3.622 -13.167 -1.957
460 2HD2 ASN 60 2HD2 ASN 60 5.302 -13.137 -2.196
461 H GLN 61 H GLN 61 -0.073 -14.479 -4.016
462 HA GLN 61 HA GLN 61 -0.871 -16.773 -5.503
463 1HB GLN 61 2HB GLN 61 -2.165 -15.507 -3.610
464 2HB GLN 61 1HB GLN 61 -2.809 -14.531 -4.930
465 1HG GLN 61 2HG GLN 61 -3.537 -16.648 -6.060
466 2HG GLN 61 1HG GLN 61 -3.027 -17.538 -4.625
467 1HE2 GLN 61 1HE2 GLN 61 -4.911 -14.496 -5.178
468 2HE2 GLN 61 2HE2 GLN 61 -6.180 -14.928 -4.137
469 H LEU 62 H LEU 62 -0.784 -13.375 -6.250
470 HA LEU 62 HA LEU 62 -2.021 -13.640 -8.872
471 1HB LEU 62 2HB LEU 62 -0.729 -11.466 -7.285
472 2HB LEU 62 1HB LEU 62 -0.721 -11.272 -9.030
473 HG LEU 62 HG LEU 62 -3.220 -11.769 -8.962
474 1HD1 LEU 62 1HD1 LEU 62 -4.385 -11.705 -6.940
475 2HD1 LEU 62 2HD1 LEU 62 -3.037 -10.966 -6.075
476 3HD1 LEU 62 3HD1 LEU 62 -2.970 -12.670 -6.539
477 1HD2 LEU 62 1HD2 LEU 62 -2.536 -9.513 -9.343
478 2HD2 LEU 62 2HD2 LEU 62 -2.048 -9.312 -7.660
479 3HD2 LEU 62 3HD2 LEU 62 -3.761 -9.452 -8.071
480 H PHE 63 H PHE 63 1.259 -13.530 -7.591
481 HA PHE 63 HA PHE 63 2.275 -14.762 -10.065
482 1HB PHE 63 2HB PHE 63 2.819 -11.937 -9.261
483 2HB PHE 63 1HB PHE 63 4.137 -12.854 -9.971
484 HD1 PHE 63 1HD PHE 63 0.744 -11.527 -10.522
485 HD2 PHE 63 2HD PHE 63 4.100 -13.517 -12.304
486 HE1 PHE 63 1HE PHE 63 -0.226 -11.139 -12.773
487 HE2 PHE 63 2HE PHE 63 3.134 -13.136 -14.556
488 HZ PHE 63 HZ PHE 63 0.970 -11.945 -14.792
489 H GLY 64 H GLY 64 4.083 -12.824 -7.781
490 1HA GLY 64 2HA GLY 64 5.365 -13.533 -5.889
491 2HA GLY 64 1HA GLY 64 4.973 -15.210 -6.274
492 H ASP 65 H ASP 65 6.172 -12.919 -8.651
493 HA ASP 65 HA ASP 65 8.114 -12.975 -9.967
494 1HB ASP 65 2HB ASP 65 9.042 -12.480 -7.624
495 2HB ASP 65 1HB ASP 65 9.466 -14.191 -7.553
496 H VAL 66 H VAL 66 7.122 -14.715 -11.257
497 HA VAL 66 HA VAL 66 7.462 -17.488 -10.680
498 HB VAL 66 HB VAL 66 7.227 -17.729 -13.221
499 1HG1 VAL 66 1HG1 VAL 66 5.242 -16.165 -11.554
500 2HG1 VAL 66 2HG1 VAL 66 5.264 -17.903 -11.855
501 3HG1 VAL 66 3HG1 VAL 66 4.861 -16.786 -13.159
502 1HG2 VAL 66 1HG2 VAL 66 6.743 -14.742 -13.038
503 2HG2 VAL 66 2HG2 VAL 66 6.720 -15.742 -14.491
504 3HG2 VAL 66 3HG2 VAL 66 8.241 -15.444 -13.650
Start of MODEL 5
1 1H GLY 1 1HT GLY 1 9.978 25.164 5.110
2 2H GLY 1 2HT GLY 1 10.979 26.390 5.728
3 3H GLY 1 3HT GLY 1 10.812 24.923 6.567
4 1HA GLY 1 2HA GLY 1 12.579 25.605 4.426
5 2HA GLY 1 1HA GLY 1 12.648 24.242 5.545
6 H SER 2 H SER 2 10.078 23.138 4.949
7 HA SER 2 HA SER 2 9.841 22.691 2.089
8 1HB SER 2 2HB SER 2 10.887 20.383 3.751
9 2HB SER 2 1HB SER 2 10.574 20.386 2.017
10 HG SER 2 HG SER 2 12.693 21.417 3.463
11 H MET 3 H MET 3 9.178 19.770 3.456
12 HA MET 3 HA MET 3 7.136 18.737 3.989
13 1HB MET 3 2HB MET 3 7.103 21.258 5.654
14 2HB MET 3 1HB MET 3 5.793 20.080 5.739
15 1HG MET 3 2HG MET 3 7.504 19.653 7.477
16 2HG MET 3 1HG MET 3 7.398 18.314 6.333
17 1HE MET 3 1HE MET 3 9.694 17.186 5.769
18 2HE MET 3 2HE MET 3 9.487 17.611 7.466
19 3HE MET 3 3HE MET 3 11.039 17.885 6.681
20 H GLY 4 H GLY 4 5.990 18.714 2.057
21 1HA GLY 4 2HA GLY 4 4.309 21.111 1.440
22 2HA GLY 4 1HA GLY 4 4.811 19.913 0.246
23 H VAL 5 H VAL 5 3.926 18.658 3.293
24 HA VAL 5 HA VAL 5 2.146 17.298 3.947
25 HB VAL 5 HB VAL 5 0.891 19.607 2.549
26 1HG1 VAL 5 1HG1 VAL 5 -0.548 17.952 1.632
27 2HG1 VAL 5 2HG1 VAL 5 -1.370 18.526 3.082
28 3HG1 VAL 5 3HG1 VAL 5 -0.503 16.988 3.113
29 1HG2 VAL 5 1HG2 VAL 5 0.597 18.238 5.238
30 2HG2 VAL 5 2HG2 VAL 5 -0.374 19.624 4.740
31 3HG2 VAL 5 3HG2 VAL 5 1.377 19.788 4.911
32 HA PRO 6 HA PRO 6 2.025 14.560 0.406
33 1HB PRO 6 2HB PRO 6 1.536 12.343 2.091
34 2HB PRO 6 1HB PRO 6 3.117 12.882 1.522
35 1HG PRO 6 2HG PRO 6 2.100 13.006 4.215
36 2HG PRO 6 1HG PRO 6 3.672 13.539 3.618
37 1HD PRO 6 2HD PRO 6 1.326 15.153 4.307
38 2HD PRO 6 1HD PRO 6 2.987 15.670 4.009
39 H ILE 7 H ILE 7 0.382 13.035 -0.385
40 HA ILE 7 HA ILE 7 -2.268 13.399 0.915
41 HB ILE 7 HB ILE 7 -1.496 14.055 -1.920
42 1HG1 ILE 7 2HG1 ILE 7 -3.233 15.397 0.155
43 2HG1 ILE 7 1HG1 ILE 7 -1.536 15.767 -0.083
44 1HG2 ILE 7 1HG2 ILE 7 -4.150 13.149 -0.813
45 2HG2 ILE 7 2HG2 ILE 7 -3.337 12.618 -2.285
46 3HG2 ILE 7 3HG2 ILE 7 -4.064 14.223 -2.210
47 1HD1 ILE 7 1HD1 ILE 7 -3.301 17.274 -1.240
48 2HD1 ILE 7 2HD1 ILE 7 -3.502 15.928 -2.364
49 3HD1 ILE 7 3HD1 ILE 7 -1.932 16.718 -2.205
50 H CYS 8 H CYS 8 -3.107 11.500 1.289
51 HA CYS 8 HA CYS 8 -1.998 9.070 0.364
52 1HB CYS 8 2HB CYS 8 -3.239 9.086 2.417
53 2HB CYS 8 1HB CYS 8 -4.679 9.683 1.603
54 H GLY 9 H GLY 9 -2.144 8.158 -1.553
55 1HA GLY 9 2HA GLY 9 -3.844 9.155 -3.635
56 2HA GLY 9 1HA GLY 9 -2.889 7.680 -3.727
57 H ALA 10 H ALA 10 -4.624 7.372 -0.970
58 HA ALA 10 HA ALA 10 -6.529 5.543 -2.260
59 1HB ALA 10 1HB ALA 10 -5.184 5.243 -0.004
60 2HB ALA 10 2HB ALA 10 -6.813 4.593 -0.158
61 3HB ALA 10 3HB ALA 10 -6.549 6.120 0.683
62 H CYS 11 H CYS 11 -6.586 8.604 -0.517
63 HA CYS 11 HA CYS 11 -9.462 8.901 -1.299
64 1HB CYS 11 2HB CYS 11 -9.402 10.424 0.908
65 2HB CYS 11 1HB CYS 11 -9.771 8.708 0.994
66 H ARG 12 H ARG 12 -6.371 9.980 -1.714
67 HA ARG 12 HA ARG 12 -5.461 11.978 -2.505
68 1HB ARG 12 2HB ARG 12 -8.358 12.198 -3.340
69 2HB ARG 12 1HB ARG 12 -7.250 13.539 -3.614
70 1HG ARG 12 2HG ARG 12 -7.088 12.319 -5.610
71 2HG ARG 12 1HG ARG 12 -5.699 11.742 -4.692
72 1HD ARG 12 2HD ARG 12 -7.685 10.029 -3.847
73 2HD ARG 12 1HD ARG 12 -8.133 10.295 -5.529
74 HE ARG 12 HE ARG 12 -6.108 8.552 -4.735
75 1HH1 ARG 12 1HH2 ARG 12 -6.339 11.399 -6.681
76 2HH1 ARG 12 2HH2 ARG 12 -4.940 11.016 -7.625
77 1HH2 ARG 12 1HH1 ARG 12 -4.297 8.045 -5.966
78 2HH2 ARG 12 2HH1 ARG 12 -3.790 9.122 -7.225
79 H ARG 13 H ARG 13 -6.119 11.741 0.226
80 HA ARG 13 HA ARG 13 -7.044 14.486 0.954
81 1HB ARG 13 2HB ARG 13 -7.563 11.845 2.049
82 2HB ARG 13 1HB ARG 13 -6.840 12.873 3.280
83 1HG ARG 13 2HG ARG 13 -9.188 13.237 3.466
84 2HG ARG 13 1HG ARG 13 -8.564 14.639 2.624
85 1HD ARG 13 2HD ARG 13 -9.925 14.235 0.887
86 2HD ARG 13 1HD ARG 13 -9.170 12.668 0.648
87 HE ARG 13 HE ARG 13 -11.802 13.004 1.510
88 1HH1 ARG 13 1HH2 ARG 13 -8.942 11.551 2.800
89 2HH1 ARG 13 2HH2 ARG 13 -9.811 10.412 3.768
90 1HH2 ARG 13 1HH1 ARG 13 -12.930 11.527 2.765
91 2HH2 ARG 13 2HH1 ARG 13 -12.061 10.398 3.750
92 HA PRO 14 HA PRO 14 -2.819 15.375 1.911
93 1HB PRO 14 2HB PRO 14 -3.576 17.051 4.153
94 2HB PRO 14 1HB PRO 14 -2.945 17.527 2.575
95 1HG PRO 14 2HG PRO 14 -5.618 17.841 3.498
96 2HG PRO 14 1HG PRO 14 -4.992 18.182 1.877
97 1HD PRO 14 2HD PRO 14 -6.722 16.001 2.690
98 2HD PRO 14 1HD PRO 14 -6.137 16.394 1.059
99 H ILE 15 H ILE 15 -1.698 13.750 2.850
100 HA ILE 15 HA ILE 15 -2.628 12.408 5.252
101 HB ILE 15 HB ILE 15 0.072 12.312 3.865
102 1HG1 ILE 15 2HG1 ILE 15 -1.920 10.090 3.832
103 2HG1 ILE 15 1HG1 ILE 15 -2.239 11.486 2.807
104 1HG2 ILE 15 1HG2 ILE 15 -1.100 10.826 6.202
105 2HG2 ILE 15 2HG2 ILE 15 0.521 11.487 6.016
106 3HG2 ILE 15 3HG2 ILE 15 0.058 10.022 5.144
107 1HD1 ILE 15 1HD1 ILE 15 0.507 10.280 2.780
108 2HD1 ILE 15 2HD1 ILE 15 -0.349 11.132 1.500
109 3HD1 ILE 15 3HD1 ILE 15 -0.787 9.470 1.893
110 H GLU 16 H GLU 16 -1.406 12.397 7.344
111 HA GLU 16 HA GLU 16 0.439 14.623 7.825
112 1HB GLU 16 2HB GLU 16 -1.188 15.557 9.642
113 2HB GLU 16 1HB GLU 16 -1.438 16.017 7.957
114 1HG GLU 16 2HG GLU 16 -3.241 14.516 7.688
115 2HG GLU 16 1HG GLU 16 -2.808 13.600 9.133
116 H GLY 17 H GLY 17 1.242 12.252 8.316
117 1HA GLY 17 2HA GLY 17 1.709 12.078 11.128
118 2HA GLY 17 1HA GLY 17 0.509 10.866 10.668
119 H ARG 18 H ARG 18 1.178 9.069 9.614
120 HA ARG 18 HA ARG 18 4.073 8.915 8.863
121 1HB ARG 18 2HB ARG 18 2.150 6.830 9.908
122 2HB ARG 18 1HB ARG 18 3.633 6.388 9.054
123 1HG ARG 18 2HG ARG 18 4.901 7.829 10.699
124 2HG ARG 18 1HG ARG 18 3.403 7.978 11.618
125 1HD ARG 18 2HD ARG 18 3.600 5.882 12.470
126 2HD ARG 18 1HD ARG 18 4.040 5.199 10.904
127 HE ARG 18 HE ARG 18 6.309 6.577 11.664
128 1HH1 ARG 18 1HH2 ARG 18 4.235 4.216 13.082
129 2HH1 ARG 18 2HH2 ARG 18 5.493 3.477 14.016
130 1HH2 ARG 18 1HH1 ARG 18 7.965 5.624 12.873
131 2HH2 ARG 18 2HH1 ARG 18 7.604 4.275 13.897
132 H VAL 19 H VAL 19 4.409 8.723 6.717
133 HA VAL 19 HA VAL 19 2.034 8.186 4.994
134 HB VAL 19 HB VAL 19 4.710 9.410 4.271
135 1HG1 VAL 19 1HG1 VAL 19 2.945 10.297 2.422
136 2HG1 VAL 19 2HG1 VAL 19 2.232 8.722 2.763
137 3HG1 VAL 19 3HG1 VAL 19 3.900 8.829 2.197
138 1HG2 VAL 19 1HG2 VAL 19 3.091 10.632 5.943
139 2HG2 VAL 19 2HG2 VAL 19 2.114 10.906 4.501
140 3HG2 VAL 19 3HG2 VAL 19 3.762 11.526 4.580
141 H VAL 20 H VAL 20 2.319 6.911 3.063
142 HA VAL 20 HA VAL 20 4.528 4.900 3.253
143 HB VAL 20 HB VAL 20 1.591 4.531 2.678
144 1HG1 VAL 20 1HG1 VAL 20 3.934 3.007 1.585
145 2HG1 VAL 20 2HG1 VAL 20 2.382 3.366 0.825
146 3HG1 VAL 20 3HG1 VAL 20 2.491 2.106 2.055
147 1HG2 VAL 20 1HG2 VAL 20 2.542 4.193 4.973
148 2HG2 VAL 20 2HG2 VAL 20 3.571 2.923 4.314
149 3HG2 VAL 20 3HG2 VAL 20 1.817 2.734 4.297
150 H ASN 21 H ASN 21 5.846 5.274 1.537
151 HA ASN 21 HA ASN 21 4.754 6.664 -0.823
152 1HB ASN 21 2HB ASN 21 7.545 5.874 -0.002
153 2HB ASN 21 1HB ASN 21 7.181 6.635 -1.549
154 1HD2 ASN 21 1HD2 ASN 21 5.692 7.316 1.647
155 2HD2 ASN 21 2HD2 ASN 21 6.175 8.943 1.696
156 H ALA 22 H ALA 22 3.699 5.325 -2.192
157 HA ALA 22 HA ALA 22 5.215 3.031 -3.310
158 1HB ALA 22 1HB ALA 22 2.319 2.745 -2.481
159 2HB ALA 22 2HB ALA 22 3.652 2.240 -1.441
160 3HB ALA 22 3HB ALA 22 3.422 1.476 -3.015
161 H MET 23 H MET 23 4.267 2.362 -5.427
162 HA MET 23 HA MET 23 3.417 2.936 -7.538
163 1HB MET 23 2HB MET 23 1.421 4.663 -6.069
164 2HB MET 23 1HB MET 23 1.206 3.822 -7.601
165 1HG MET 23 2HG MET 23 1.625 2.420 -4.946
166 2HG MET 23 1HG MET 23 0.049 2.699 -5.679
167 1HE MET 23 1HE MET 23 1.591 -1.113 -5.979
168 2HE MET 23 2HE MET 23 0.387 -0.177 -5.093
169 3HE MET 23 3HE MET 23 2.102 0.147 -4.844
170 H GLY 24 H GLY 24 5.149 4.741 -5.753
171 1HA GLY 24 2HA GLY 24 6.405 6.698 -6.193
172 2HA GLY 24 1HA GLY 24 5.529 6.841 -7.721
173 H LYS 25 H LYS 25 3.617 6.363 -4.961
174 HA LYS 25 HA LYS 25 2.848 9.262 -4.898
175 1HB LYS 25 2HB LYS 25 1.147 6.777 -4.519
176 2HB LYS 25 1HB LYS 25 0.574 8.425 -4.303
177 1HG LYS 25 2HG LYS 25 1.799 8.431 -6.833
178 2HG LYS 25 1HG LYS 25 0.913 6.908 -6.764
179 1HD LYS 25 2HD LYS 25 -0.702 8.421 -7.562
180 2HD LYS 25 1HD LYS 25 -1.055 8.345 -5.841
181 1HE LYS 25 2HE LYS 25 -1.039 10.662 -6.337
182 2HE LYS 25 1HE LYS 25 0.537 10.359 -5.608
183 1HZ LYS 25 1HZ LYS 25 0.550 9.914 -8.428
184 2HZ LYS 25 2HZ LYS 25 1.563 10.899 -7.484
185 3HZ LYS 25 3HZ LYS 25 0.077 11.497 -8.048
186 H GLN 26 H GLN 26 1.045 8.828 -2.755
187 HA GLN 26 HA GLN 26 2.758 8.008 -0.461
188 1HB GLN 26 2HB GLN 26 1.363 10.648 -0.949
189 2HB GLN 26 1HB GLN 26 1.709 10.102 0.685
190 1HG GLN 26 2HG GLN 26 3.996 10.352 0.437
191 2HG GLN 26 1HG GLN 26 3.957 9.946 -1.274
192 1HE2 GLN 26 1HE2 GLN 26 1.552 12.226 -0.865
193 2HE2 GLN 26 2HE2 GLN 26 2.440 13.626 -1.216
194 H TRP 27 H TRP 27 1.420 7.028 1.205
195 HA TRP 27 HA TRP 27 -1.523 7.078 0.682
196 1HB TRP 27 2HB TRP 27 0.110 4.558 1.082
197 2HB TRP 27 1HB TRP 27 -1.629 4.644 0.826
198 HD1 TRP 27 HD TRP 27 1.702 5.218 -0.992
199 HE1 TRP 27 1HE TRP 27 1.266 5.165 -3.536
200 HE3 TRP 27 3HE TRP 27 -3.372 4.914 -0.990
201 HZ2 TRP 27 2HZ TRP 27 -0.964 5.020 -5.327
202 HZ3 TRP 27 3HZ TRP 27 -4.638 4.815 -3.108
203 HH2 TRP 27 HH TRP 27 -3.442 4.872 -5.281
204 H HIS 28 H HIS 28 -2.759 7.008 2.573
205 HA HIS 28 HA HIS 28 -1.526 7.535 5.094
206 1HB HIS 28 2HB HIS 28 -4.243 6.429 4.340
207 2HB HIS 28 1HB HIS 28 -3.760 6.573 6.027
208 HD2 HIS 28 2HD HIS 28 -2.835 9.426 6.577
209 HE1 HIS 28 1HE HIS 28 -5.647 10.925 3.805
210 HE2 HIS 28 2HE HIS 28 -4.103 11.545 5.724
211 H VAL 29 H VAL 29 -0.623 6.089 6.575
212 HA VAL 29 HA VAL 29 0.207 3.526 5.777
213 HB VAL 29 HB VAL 29 -0.163 4.806 8.484
214 1HG1 VAL 29 1HG1 VAL 29 0.716 1.993 7.819
215 2HG1 VAL 29 2HG1 VAL 29 -0.484 2.512 9.003
216 3HG1 VAL 29 3HG1 VAL 29 1.232 2.803 9.299
217 1HG2 VAL 29 1HG2 VAL 29 2.173 5.072 8.404
218 2HG2 VAL 29 2HG2 VAL 29 1.675 5.397 6.743
219 3HG2 VAL 29 3HG2 VAL 29 2.371 3.832 7.172
220 H GLU 30 H GLU 30 -2.850 4.603 6.945
221 HA GLU 30 HA GLU 30 -3.718 1.881 7.659
222 1HB GLU 30 2HB GLU 30 -5.650 4.156 7.533
223 2HB GLU 30 1HB GLU 30 -5.523 2.857 8.719
224 1HG GLU 30 2HG GLU 30 -3.632 5.215 8.461
225 2HG GLU 30 1HG GLU 30 -4.852 4.997 9.714
226 H HIS 31 H HIS 31 -4.053 4.172 5.014
227 HA HIS 31 HA HIS 31 -6.179 2.516 3.781
228 1HB HIS 31 2HB HIS 31 -4.886 5.048 2.727
229 2HB HIS 31 1HB HIS 31 -6.367 4.293 2.140
230 HD2 HIS 31 2HD HIS 31 -7.340 3.741 5.447
231 HE1 HIS 31 1HE HIS 31 -7.774 7.935 5.326
232 HE2 HIS 31 2HE HIS 31 -8.407 5.828 6.588
233 H PHE 32 H PHE 32 -2.805 2.532 3.779
234 HA PHE 32 HA PHE 32 -2.566 1.723 0.964
235 1HB PHE 32 2HB PHE 32 -0.676 2.847 2.318
236 2HB PHE 32 1HB PHE 32 -0.459 1.272 3.088
237 HD1 PHE 32 1HD PHE 32 1.123 -0.142 2.106
238 HD2 PHE 32 2HD PHE 32 -1.034 2.623 -0.376
239 HE1 PHE 32 1HE PHE 32 2.345 -0.960 0.111
240 HE2 PHE 32 2HE PHE 32 0.188 1.802 -2.358
241 HZ PHE 32 HZ PHE 32 1.883 0.009 -2.118
242 H VAL 33 H VAL 33 -3.579 -0.144 0.532
243 HA VAL 33 HA VAL 33 -3.019 -2.484 2.302
244 HB VAL 33 HB VAL 33 -5.338 -3.197 1.998
245 1HG1 VAL 33 1HG1 VAL 33 -6.254 -0.692 2.878
246 2HG1 VAL 33 2HG1 VAL 33 -4.563 -0.740 3.365
247 3HG1 VAL 33 3HG1 VAL 33 -5.667 -2.011 3.885
248 1HG2 VAL 33 1HG2 VAL 33 -6.933 -1.561 0.910
249 2HG2 VAL 33 2HG2 VAL 33 -5.786 -2.310 -0.204
250 3HG2 VAL 33 3HG2 VAL 33 -5.523 -0.657 0.356
251 H CYS 34 H CYS 34 -3.800 -4.518 1.184
252 HA CYS 34 HA CYS 34 -2.362 -4.905 -1.258
253 1HB CYS 34 2HB CYS 34 -2.660 -6.800 0.089
254 2HB CYS 34 1HB CYS 34 -4.368 -6.490 0.324
255 H ALA 35 H ALA 35 -3.186 -5.172 -3.390
256 HA ALA 35 HA ALA 35 -5.701 -3.708 -3.893
257 1HB ALA 35 1HB ALA 35 -3.785 -4.885 -5.909
258 2HB ALA 35 2HB ALA 35 -3.525 -3.315 -5.154
259 3HB ALA 35 3HB ALA 35 -4.949 -3.587 -6.163
260 H LYS 36 H LYS 36 -5.668 -6.479 -2.738
261 HA LYS 36 HA LYS 36 -7.478 -7.723 -4.760
262 1HB LYS 36 2HB LYS 36 -5.289 -8.871 -4.919
263 2HB LYS 36 1HB LYS 36 -5.343 -9.215 -3.197
264 1HG LYS 36 2HG LYS 36 -6.080 -11.170 -4.471
265 2HG LYS 36 1HG LYS 36 -7.425 -10.518 -3.539
266 1HD LYS 36 2HD LYS 36 -8.490 -9.647 -5.431
267 2HD LYS 36 1HD LYS 36 -6.995 -9.579 -6.365
268 1HE LYS 36 2HE LYS 36 -8.650 -11.433 -6.998
269 2HE LYS 36 1HE LYS 36 -6.984 -11.933 -6.713
270 1HZ LYS 36 1HZ LYS 36 -7.999 -12.105 -4.256
271 2HZ LYS 36 2HZ LYS 36 -7.957 -13.406 -5.349
272 3HZ LYS 36 3HZ LYS 36 -9.375 -12.487 -5.171
273 H CYS 37 H CYS 37 -6.456 -7.440 -1.390
274 HA CYS 37 HA CYS 37 -9.146 -8.500 -0.576
275 1HB CYS 37 2HB CYS 37 -8.041 -9.423 1.442
276 2HB CYS 37 1HB CYS 37 -7.351 -10.096 -0.034
277 H GLU 38 H GLU 38 -6.957 -5.891 -0.477
278 HA GLU 38 HA GLU 38 -7.067 -3.847 0.601
279 1HB GLU 38 2HB GLU 38 -9.744 -4.653 1.735
280 2HB GLU 38 1HB GLU 38 -9.173 -3.040 1.313
281 1HG GLU 38 2HG GLU 38 -9.003 -3.956 -1.108
282 2HG GLU 38 1HG GLU 38 -10.035 -5.264 -0.532
283 H LYS 39 H LYS 39 -5.629 -5.785 1.861
284 HA LYS 39 HA LYS 39 -6.386 -5.608 4.735
285 1HB LYS 39 2HB LYS 39 -5.733 -7.826 3.546
286 2HB LYS 39 1HB LYS 39 -4.084 -7.210 3.624
287 1HG LYS 39 2HG LYS 39 -3.926 -7.773 5.800
288 2HG LYS 39 1HG LYS 39 -5.382 -6.874 6.198
289 1HD LYS 39 2HD LYS 39 -6.782 -8.760 5.639
290 2HD LYS 39 1HD LYS 39 -5.406 -9.651 4.988
291 1HE LYS 39 2HE LYS 39 -5.913 -10.462 7.239
292 2HE LYS 39 1HE LYS 39 -4.359 -9.629 7.247
293 1HZ LYS 39 1HZ LYS 39 -6.814 -8.120 7.829
294 2HZ LYS 39 2HZ LYS 39 -5.221 -7.829 8.347
295 3HZ LYS 39 3HZ LYS 39 -6.128 -9.086 9.043
296 HA PRO 40 HA PRO 40 -3.414 -2.211 4.423
297 1HB PRO 40 2HB PRO 40 -3.853 -1.508 7.116
298 2HB PRO 40 1HB PRO 40 -4.559 -0.735 5.716
299 1HG PRO 40 2HG PRO 40 -5.825 -2.458 7.661
300 2HG PRO 40 1HG PRO 40 -6.585 -1.577 6.339
301 1HD PRO 40 2HD PRO 40 -6.102 -4.403 6.516
302 2HD PRO 40 1HD PRO 40 -6.797 -3.519 5.148
303 H PHE 41 H PHE 41 -1.321 -2.072 4.928
304 HA PHE 41 HA PHE 41 -0.198 -4.110 6.798
305 1HB PHE 41 2HB PHE 41 1.542 -2.279 5.188
306 2HB PHE 41 1HB PHE 41 1.811 -3.956 5.648
307 HD1 PHE 41 1HD PHE 41 -0.124 -1.737 3.390
308 HD2 PHE 41 2HD PHE 41 1.081 -5.756 4.281
309 HE1 PHE 41 1HE PHE 41 -0.990 -2.485 1.187
310 HE2 PHE 41 2HE PHE 41 0.212 -6.505 2.092
311 HZ PHE 41 HZ PHE 41 -0.822 -4.876 0.538
312 H LEU 42 H LEU 42 -1.423 -2.302 8.308
313 HA LEU 42 HA LEU 42 -0.421 0.166 8.970
314 1HB LEU 42 2HB LEU 42 -1.325 -2.137 10.668
315 2HB LEU 42 1HB LEU 42 -0.625 -0.731 11.467
316 HG LEU 42 HG LEU 42 -2.265 0.734 10.337
317 1HD1 LEU 42 1HD1 LEU 42 -4.150 -0.441 9.115
318 2HD1 LEU 42 2HD1 LEU 42 -3.123 -1.878 9.111
319 3HD1 LEU 42 3HD1 LEU 42 -2.590 -0.408 8.289
320 1HD2 LEU 42 1HD2 LEU 42 -4.391 -0.361 11.336
321 2HD2 LEU 42 2HD2 LEU 42 -3.065 -0.008 12.446
322 3HD2 LEU 42 3HD2 LEU 42 -3.313 -1.654 11.863
323 H GLY 43 H GLY 43 0.965 -2.878 10.190
324 1HA GLY 43 2HA GLY 43 3.647 -1.560 10.224
325 2HA GLY 43 1HA GLY 43 3.088 -2.466 11.629
326 H HIS 44 H HIS 44 2.310 -3.435 8.359
327 HA HIS 44 HA HIS 44 4.095 -5.821 8.720
328 1HB HIS 44 2HB HIS 44 1.732 -5.900 6.879
329 2HB HIS 44 1HB HIS 44 2.454 -7.195 7.833
330 HD1 HIS 44 1HD HIS 44 -0.635 -5.942 7.779
331 HD2 HIS 44 2HD HIS 44 2.215 -5.738 10.813
332 HE1 HIS 44 1HE HIS 44 -1.908 -5.539 9.931
333 H ARG 45 H ARG 45 4.404 -6.877 6.387
334 HA ARG 45 HA ARG 45 5.612 -4.739 4.712
335 1HB ARG 45 2HB ARG 45 7.174 -6.466 5.131
336 2HB ARG 45 1HB ARG 45 5.967 -7.732 4.912
337 1HG ARG 45 2HG ARG 45 5.914 -7.407 2.544
338 2HG ARG 45 1HG ARG 45 6.816 -5.895 2.661
339 1HD ARG 45 2HD ARG 45 8.002 -8.228 2.026
340 2HD ARG 45 1HD ARG 45 8.839 -6.966 2.932
341 HE ARG 45 HE ARG 45 7.605 -8.475 4.898
342 1HH1 ARG 45 1HH2 ARG 45 9.679 -9.083 2.212
343 2HH1 ARG 45 2HH2 ARG 45 10.453 -10.446 2.948
344 1HH2 ARG 45 1HH1 ARG 45 8.603 -10.253 5.875
345 2HH2 ARG 45 2HH1 ARG 45 9.844 -11.109 5.021
346 H HIS 46 H HIS 46 5.068 -4.516 2.489
347 HA HIS 46 HA HIS 46 2.584 -5.973 1.652
348 1HB HIS 46 2HB HIS 46 2.135 -3.995 0.191
349 2HB HIS 46 1HB HIS 46 2.083 -3.616 1.906
350 HD1 HIS 46 1HD HIS 46 4.151 -2.292 2.893
351 HD2 HIS 46 2HD HIS 46 4.213 -2.756 -1.255
352 HE1 HIS 46 1HE HIS 46 5.914 -0.697 2.019
353 H TYR 47 H TYR 47 2.371 -6.049 -0.749
354 HA TYR 47 HA TYR 47 5.001 -6.322 -2.132
355 1HB TYR 47 2HB TYR 47 2.734 -8.296 -2.422
356 2HB TYR 47 1HB TYR 47 4.402 -8.485 -2.924
357 HD1 TYR 47 1HD TYR 47 5.900 -9.603 -1.506
358 HD2 TYR 47 2HD TYR 47 2.357 -7.834 0.156
359 HE1 TYR 47 1HE TYR 47 6.472 -10.514 0.731
360 HE2 TYR 47 2HE TYR 47 2.946 -8.735 2.381
361 HH TYR 47 HH TYR 47 4.377 -9.956 3.547
362 H GLU 48 H GLU 48 4.929 -5.390 -4.170
363 HA GLU 48 HA GLU 48 2.243 -4.436 -5.070
364 1HB GLU 48 2HB GLU 48 3.764 -2.799 -6.427
365 2HB GLU 48 1HB GLU 48 3.494 -2.515 -4.712
366 1HG GLU 48 2HG GLU 48 5.900 -2.351 -5.387
367 2HG GLU 48 1HG GLU 48 5.592 -3.561 -4.140
368 H ARG 49 H ARG 49 1.758 -4.380 -7.291
369 HA ARG 49 HA ARG 49 3.455 -6.016 -9.091
370 1HB ARG 49 2HB ARG 49 1.895 -7.600 -8.039
371 2HB ARG 49 1HB ARG 49 0.538 -6.601 -8.535
372 1HG ARG 49 2HG ARG 49 2.057 -7.032 -10.888
373 2HG ARG 49 1HG ARG 49 1.995 -8.592 -10.076
374 1HD ARG 49 2HD ARG 49 -0.240 -8.832 -10.457
375 2HD ARG 49 1HD ARG 49 -0.590 -7.136 -10.155
376 HE ARG 49 HE ARG 49 0.768 -7.136 -12.580
377 1HH1 ARG 49 1HH2 ARG 49 -1.994 -8.692 -11.227
378 2HH1 ARG 49 2HH2 ARG 49 -2.828 -8.821 -12.739
379 1HH2 ARG 49 1HH1 ARG 49 -0.303 -7.298 -14.564
380 2HH2 ARG 49 2HH1 ARG 49 -1.871 -8.032 -14.629
381 H LYS 50 H LYS 50 3.392 -5.267 -11.140
382 HA LYS 50 HA LYS 50 3.062 -3.682 -12.815
383 1HB LYS 50 2HB LYS 50 0.834 -3.782 -13.800
384 2HB LYS 50 1HB LYS 50 1.318 -5.394 -13.283
385 1HG LYS 50 2HG LYS 50 -0.080 -5.303 -11.354
386 2HG LYS 50 1HG LYS 50 -0.350 -3.571 -11.534
387 1HD LYS 50 2HD LYS 50 -1.140 -5.379 -13.791
388 2HD LYS 50 1HD LYS 50 -2.170 -5.320 -12.362
389 1HE LYS 50 2HE LYS 50 -2.318 -2.859 -12.576
390 2HE LYS 50 1HE LYS 50 -1.310 -2.929 -14.021
391 1HZ LYS 50 1HZ LYS 50 -2.978 -4.342 -15.062
392 2HZ LYS 50 2HZ LYS 50 -3.642 -2.848 -14.601
393 3HZ LYS 50 3HZ LYS 50 -3.952 -4.240 -13.678
394 H GLY 51 H GLY 51 2.875 -2.757 -9.951
395 1HA GLY 51 2HA GLY 51 2.812 -0.460 -9.271
396 2HA GLY 51 1HA GLY 51 1.802 -0.104 -10.663
397 H LEU 52 H LEU 52 1.157 -2.761 -8.509
398 HA LEU 52 HA LEU 52 -0.978 -1.221 -7.149
399 1HB LEU 52 2HB LEU 52 -1.376 -3.647 -8.877
400 2HB LEU 52 1HB LEU 52 -2.435 -3.381 -7.497
401 HG LEU 52 HG LEU 52 -1.950 -1.418 -9.756
402 1HD1 LEU 52 1HD1 LEU 52 -4.139 -2.004 -10.525
403 2HD1 LEU 52 2HD1 LEU 52 -4.476 -2.934 -9.063
404 3HD1 LEU 52 3HD1 LEU 52 -3.302 -3.531 -10.237
405 1HD2 LEU 52 1HD2 LEU 52 -3.262 -1.236 -7.092
406 2HD2 LEU 52 2HD2 LEU 52 -4.198 -0.584 -8.440
407 3HD2 LEU 52 3HD2 LEU 52 -2.583 0.041 -8.105
408 H ALA 53 H ALA 53 -1.199 -1.813 -5.044
409 HA ALA 53 HA ALA 53 0.851 -3.495 -3.931
410 1HB ALA 53 1HB ALA 53 -0.456 -3.173 -1.779
411 2HB ALA 53 2HB ALA 53 -1.619 -2.241 -2.731
412 3HB ALA 53 3HB ALA 53 0.050 -1.682 -2.581
413 H TYR 54 H TYR 54 0.653 -5.469 -2.851
414 HA TYR 54 HA TYR 54 -1.901 -6.905 -2.935
415 1HB TYR 54 2HB TYR 54 0.495 -7.696 -4.586
416 2HB TYR 54 1HB TYR 54 -0.676 -8.886 -4.037
417 HD1 TYR 54 1HD TYR 54 0.022 -6.240 -6.369
418 HD2 TYR 54 2HD TYR 54 -3.105 -8.609 -4.643
419 HE1 TYR 54 1HE TYR 54 -1.474 -5.585 -8.199
420 HE2 TYR 54 2HE TYR 54 -4.626 -7.931 -6.507
421 HH TYR 54 HH TYR 54 -4.841 -6.749 -8.360
422 H CYS 55 H CYS 55 -1.969 -8.412 -1.252
423 HA CYS 55 HA CYS 55 -0.064 -8.197 0.819
424 1HB CYS 55 2HB CYS 55 -2.050 -10.378 0.132
425 2HB CYS 55 1HB CYS 55 -1.021 -10.480 1.559
426 H GLU 56 H GLU 56 0.970 -10.544 1.573
427 HA GLU 56 HA GLU 56 3.150 -11.040 -0.255
428 1HB GLU 56 2HB GLU 56 3.236 -11.343 2.263
429 2HB GLU 56 1HB GLU 56 2.264 -12.791 2.052
430 1HG GLU 56 2HG GLU 56 3.962 -13.864 0.761
431 2HG GLU 56 1HG GLU 56 4.875 -12.366 0.589
432 H THR 57 H THR 57 0.209 -12.807 0.598
433 HA THR 57 HA THR 57 0.845 -15.011 -1.228
434 HB THR 57 HB THR 57 -1.544 -14.411 0.521
435 HG1 THR 57 1HG THR 57 0.812 -15.842 0.729
436 1HG2 THR 57 1HG2 THR 57 -2.431 -15.669 -1.287
437 2HG2 THR 57 2HG2 THR 57 -2.105 -16.853 -0.021
438 3HG2 THR 57 3HG2 THR 57 -0.996 -16.689 -1.383
439 H HIS 58 H HIS 58 -1.411 -12.268 -1.188
440 HA HIS 58 HA HIS 58 -2.808 -13.138 -3.537
441 1HB HIS 58 2HB HIS 58 -2.505 -10.382 -2.337
442 2HB HIS 58 1HB HIS 58 -3.637 -10.804 -3.618
443 HD2 HIS 58 2HD HIS 58 -4.695 -13.682 -2.348
444 HE1 HIS 58 1HE HIS 58 -5.850 -11.378 0.994
445 HE2 HIS 58 2HE HIS 58 -6.153 -13.602 -0.190
446 H TYR 59 H TYR 59 -0.137 -10.858 -2.987
447 HA TYR 59 HA TYR 59 0.293 -10.056 -5.635
448 1HB TYR 59 2HB TYR 59 1.630 -9.138 -3.831
449 2HB TYR 59 1HB TYR 59 2.249 -10.723 -3.412
450 HD1 TYR 59 1HD TYR 59 1.765 -9.382 -6.841
451 HD2 TYR 59 2HD TYR 59 4.587 -10.422 -3.780
452 HE1 TYR 59 1HE TYR 59 3.597 -9.106 -8.438
453 HE2 TYR 59 2HE TYR 59 6.440 -10.119 -5.393
454 HH TYR 59 HH TYR 59 5.898 -9.817 -8.767
455 H ASN 60 H ASN 60 1.749 -12.704 -3.842
456 HA ASN 60 HA ASN 60 3.008 -13.900 -6.064
457 1HB ASN 60 2HB ASN 60 2.110 -15.073 -3.426
458 2HB ASN 60 1HB ASN 60 3.069 -15.965 -4.604
459 1HD2 ASN 60 1HD2 ASN 60 3.830 -14.975 -1.832
460 2HD2 ASN 60 2HD2 ASN 60 5.224 -14.039 -2.073
461 H GLN 61 H GLN 61 -0.135 -14.601 -4.523
462 HA GLN 61 HA GLN 61 -0.858 -16.770 -6.226
463 1HB GLN 61 2HB GLN 61 -2.493 -14.638 -4.859
464 2HB GLN 61 1HB GLN 61 -3.263 -15.823 -5.906
465 1HG GLN 61 2HG GLN 61 -1.411 -16.660 -3.676
466 2HG GLN 61 1HG GLN 61 -3.131 -16.393 -3.395
467 1HE2 GLN 61 1HE2 GLN 61 -4.609 -17.635 -5.039
468 2HE2 GLN 61 2HE2 GLN 61 -4.117 -19.206 -5.454
469 H LEU 62 H LEU 62 -0.979 -13.309 -6.613
470 HA LEU 62 HA LEU 62 -2.221 -13.334 -9.229
471 1HB LEU 62 2HB LEU 62 -0.893 -11.328 -7.464
472 2HB LEU 62 1HB LEU 62 -0.951 -10.953 -9.179
473 HG LEU 62 HG LEU 62 -3.494 -11.631 -8.933
474 1HD1 LEU 62 1HD1 LEU 62 -3.238 -12.379 -6.570
475 2HD1 LEU 62 2HD1 LEU 62 -4.415 -11.079 -6.746
476 3HD1 LEU 62 3HD1 LEU 62 -2.803 -10.726 -6.129
477 1HD2 LEU 62 1HD2 LEU 62 -2.255 -9.057 -7.957
478 2HD2 LEU 62 2HD2 LEU 62 -3.979 -9.247 -8.289
479 3HD2 LEU 62 3HD2 LEU 62 -2.804 -9.421 -9.593
480 H PHE 63 H PHE 63 1.113 -13.224 -8.048
481 HA PHE 63 HA PHE 63 2.051 -14.221 -10.660
482 1HB PHE 63 2HB PHE 63 2.579 -11.462 -9.628
483 2HB PHE 63 1HB PHE 63 3.886 -12.294 -10.468
484 HD1 PHE 63 1HD PHE 63 0.446 -11.008 -10.760
485 HD2 PHE 63 2HD PHE 63 3.767 -12.750 -12.842
486 HE1 PHE 63 1HE PHE 63 -0.638 -10.476 -12.931
487 HE2 PHE 63 2HE PHE 63 2.691 -12.216 -15.013
488 HZ PHE 63 HZ PHE 63 0.487 -11.078 -15.057
489 H GLY 64 H GLY 64 3.916 -12.491 -8.249
490 1HA GLY 64 2HA GLY 64 5.429 -13.285 -6.614
491 2HA GLY 64 1HA GLY 64 4.822 -14.918 -6.897
492 H ASP 65 H ASP 65 5.365 -14.033 -9.896
493 HA ASP 65 HA ASP 65 8.107 -13.763 -10.356
494 1HB ASP 65 2HB ASP 65 8.524 -16.331 -10.877
495 2HB ASP 65 1HB ASP 65 8.781 -15.701 -9.251
496 H VAL 66 H VAL 66 5.056 -15.129 -11.265
497 HA VAL 66 HA VAL 66 5.285 -14.187 -13.970
498 HB VAL 66 HB VAL 66 6.772 -16.099 -14.259
499 1HG1 VAL 66 1HG1 VAL 66 4.471 -17.807 -13.269
500 2HG1 VAL 66 2HG1 VAL 66 5.862 -17.364 -12.280
501 3HG1 VAL 66 3HG1 VAL 66 6.084 -18.358 -13.720
502 1HG2 VAL 66 1HG2 VAL 66 4.062 -16.876 -15.363
503 2HG2 VAL 66 2HG2 VAL 66 5.644 -17.164 -16.086
504 3HG2 VAL 66 3HG2 VAL 66 4.997 -15.525 -16.005
Start of MODEL 6
1 1H GLY 1 1HT GLY 1 6.728 24.713 11.699
2 2H GLY 1 2HT GLY 1 7.339 26.290 11.526
3 3H GLY 1 3HT GLY 1 8.123 25.177 12.544
4 1HA GLY 1 2HA GLY 1 8.938 25.691 10.079
5 2HA GLY 1 1HA GLY 1 9.170 24.129 10.866
6 H SER 2 H SER 2 7.551 25.796 8.320
7 HA SER 2 HA SER 2 5.447 23.931 7.784
8 1HB SER 2 2HB SER 2 5.180 25.059 5.742
9 2HB SER 2 1HB SER 2 5.910 26.292 6.766
10 HG SER 2 HG SER 2 7.586 26.271 5.508
11 H MET 3 H MET 3 5.416 22.350 5.974
12 HA MET 3 HA MET 3 7.936 21.396 4.875
13 1HB MET 3 2HB MET 3 7.810 20.541 7.325
14 2HB MET 3 1HB MET 3 6.545 19.464 6.731
15 1HG MET 3 2HG MET 3 8.081 18.539 5.060
16 2HG MET 3 1HG MET 3 9.343 19.657 5.575
17 1HE MET 3 1HE MET 3 9.771 16.448 5.468
18 2HE MET 3 2HE MET 3 10.824 16.409 6.880
19 3HE MET 3 3HE MET 3 10.911 17.768 5.764
20 H GLY 4 H GLY 4 5.449 22.214 3.760
21 1HA GLY 4 2HA GLY 4 3.758 21.484 2.295
22 2HA GLY 4 1HA GLY 4 4.950 20.273 1.820
23 H VAL 5 H VAL 5 2.788 19.046 1.556
24 HA VAL 5 HA VAL 5 2.462 17.337 3.926
25 HB VAL 5 HB VAL 5 0.364 19.240 2.962
26 1HG1 VAL 5 1HG1 VAL 5 -0.845 17.302 2.431
27 2HG1 VAL 5 2HG1 VAL 5 -1.299 17.600 4.112
28 3HG1 VAL 5 3HG1 VAL 5 -0.106 16.368 3.733
29 1HG2 VAL 5 1HG2 VAL 5 -0.282 19.037 5.407
30 2HG2 VAL 5 2HG2 VAL 5 1.332 19.696 5.114
31 3HG2 VAL 5 3HG2 VAL 5 1.143 18.015 5.620
32 HA PRO 6 HA PRO 6 2.021 14.580 0.458
33 1HB PRO 6 2HB PRO 6 1.563 12.350 2.145
34 2HB PRO 6 1HB PRO 6 3.122 12.860 1.491
35 1HG PRO 6 2HG PRO 6 2.229 13.009 4.237
36 2HG PRO 6 1HG PRO 6 3.802 13.449 3.568
37 1HD PRO 6 2HD PRO 6 1.657 15.201 4.434
38 2HD PRO 6 1HD PRO 6 3.285 15.624 3.898
39 H ILE 7 H ILE 7 0.333 13.105 -0.311
40 HA ILE 7 HA ILE 7 -2.253 13.450 1.110
41 HB ILE 7 HB ILE 7 -1.611 14.202 -1.736
42 1HG1 ILE 7 2HG1 ILE 7 -3.236 15.478 0.468
43 2HG1 ILE 7 1HG1 ILE 7 -1.545 15.838 0.176
44 1HG2 ILE 7 1HG2 ILE 7 -3.489 12.807 -2.071
45 2HG2 ILE 7 2HG2 ILE 7 -4.199 14.408 -1.869
46 3HG2 ILE 7 3HG2 ILE 7 -4.210 13.261 -0.528
47 1HD1 ILE 7 1HD1 ILE 7 -2.016 16.882 -1.883
48 2HD1 ILE 7 2HD1 ILE 7 -3.333 17.412 -0.832
49 3HD1 ILE 7 3HD1 ILE 7 -3.604 16.121 -2.007
50 H CYS 8 H CYS 8 -3.067 11.546 1.463
51 HA CYS 8 HA CYS 8 -2.015 9.137 0.490
52 1HB CYS 8 2HB CYS 8 -3.285 9.128 2.516
53 2HB CYS 8 1HB CYS 8 -4.701 9.776 1.700
54 H GLY 9 H GLY 9 -2.087 8.323 -1.477
55 1HA GLY 9 2HA GLY 9 -3.715 9.352 -3.578
56 2HA GLY 9 1HA GLY 9 -2.806 7.844 -3.656
57 H ALA 10 H ALA 10 -4.626 7.555 -0.959
58 HA ALA 10 HA ALA 10 -6.565 5.830 -2.337
59 1HB ALA 10 1HB ALA 10 -6.926 4.836 -0.269
60 2HB ALA 10 2HB ALA 10 -6.653 6.337 0.615
61 3HB ALA 10 3HB ALA 10 -5.286 5.442 -0.044
62 H CYS 11 H CYS 11 -6.853 8.379 0.138
63 HA CYS 11 HA CYS 11 -9.605 8.945 -0.855
64 1HB CYS 11 2HB CYS 11 -9.427 10.534 1.280
65 2HB CYS 11 1HB CYS 11 -9.754 8.814 1.463
66 H ARG 12 H ARG 12 -6.442 10.044 -1.258
67 HA ARG 12 HA ARG 12 -5.577 11.978 -2.249
68 1HB ARG 12 2HB ARG 12 -8.440 12.797 -2.815
69 2HB ARG 12 1HB ARG 12 -6.988 13.261 -3.696
70 1HG ARG 12 2HG ARG 12 -7.930 10.389 -3.509
71 2HG ARG 12 1HG ARG 12 -8.424 11.472 -4.809
72 1HD ARG 12 2HD ARG 12 -5.588 10.653 -4.119
73 2HD ARG 12 1HD ARG 12 -6.499 10.196 -5.557
74 HE ARG 12 HE ARG 12 -6.494 12.964 -5.638
75 1HH1 ARG 12 1HH2 ARG 12 -4.138 10.467 -5.322
76 2HH1 ARG 12 2HH2 ARG 12 -2.888 11.363 -6.120
77 1HH2 ARG 12 1HH1 ARG 12 -4.876 14.147 -6.681
78 2HH2 ARG 12 2HH1 ARG 12 -3.306 13.447 -6.890
79 H ARG 13 H ARG 13 -6.141 11.830 0.520
80 HA ARG 13 HA ARG 13 -6.975 14.623 1.180
81 1HB ARG 13 2HB ARG 13 -7.444 12.003 2.443
82 2HB ARG 13 1HB ARG 13 -6.883 13.227 3.577
83 1HG ARG 13 2HG ARG 13 -9.395 13.099 3.319
84 2HG ARG 13 1HG ARG 13 -8.707 14.690 3.020
85 1HD ARG 13 2HD ARG 13 -8.849 12.988 0.621
86 2HD ARG 13 1HD ARG 13 -10.420 13.391 1.308
87 HE ARG 13 HE ARG 13 -9.075 15.815 1.251
88 1HH1 ARG 13 1HH2 ARG 13 -9.815 13.301 -0.989
89 2HH1 ARG 13 2HH2 ARG 13 -9.892 14.361 -2.357
90 1HH2 ARG 13 1HH1 ARG 13 -9.171 17.213 -0.522
91 2HH2 ARG 13 2HH1 ARG 13 -9.527 16.576 -2.093
92 HA PRO 14 HA PRO 14 -2.770 15.469 2.195
93 1HB PRO 14 2HB PRO 14 -3.489 17.047 4.511
94 2HB PRO 14 1HB PRO 14 -2.931 17.607 2.931
95 1HG PRO 14 2HG PRO 14 -5.575 17.800 3.982
96 2HG PRO 14 1HG PRO 14 -5.006 18.272 2.372
97 1HD PRO 14 2HD PRO 14 -6.680 16.012 3.059
98 2HD PRO 14 1HD PRO 14 -6.115 16.514 1.450
99 H ILE 15 H ILE 15 -1.634 13.790 3.057
100 HA ILE 15 HA ILE 15 -2.549 12.355 5.410
101 HB ILE 15 HB ILE 15 0.139 12.312 3.994
102 1HG1 ILE 15 2HG1 ILE 15 -1.877 10.106 3.911
103 2HG1 ILE 15 1HG1 ILE 15 -2.174 11.535 2.926
104 1HG2 ILE 15 1HG2 ILE 15 -1.003 10.746 6.293
105 2HG2 ILE 15 2HG2 ILE 15 0.620 11.404 6.103
106 3HG2 ILE 15 3HG2 ILE 15 0.132 9.974 5.188
107 1HD1 ILE 15 1HD1 ILE 15 -0.731 9.484 2.002
108 2HD1 ILE 15 2HD1 ILE 15 0.565 10.344 2.837
109 3HD1 ILE 15 3HD1 ILE 15 -0.349 11.149 1.566
110 H GLU 16 H GLU 16 -1.321 12.256 7.492
111 HA GLU 16 HA GLU 16 0.527 14.465 8.055
112 1HB GLU 16 2HB GLU 16 -1.078 15.302 9.931
113 2HB GLU 16 1HB GLU 16 -1.365 15.832 8.273
114 1HG GLU 16 2HG GLU 16 -3.147 14.302 7.969
115 2HG GLU 16 1HG GLU 16 -2.688 13.358 9.386
116 H GLY 17 H GLY 17 1.324 12.045 8.416
117 1HA GLY 17 2HA GLY 17 1.823 11.759 11.221
118 2HA GLY 17 1HA GLY 17 0.630 10.561 10.712
119 H ARG 18 H ARG 18 1.315 8.809 9.595
120 HA ARG 18 HA ARG 18 4.200 8.725 8.800
121 1HB ARG 18 2HB ARG 18 2.346 6.557 9.810
122 2HB ARG 18 1HB ARG 18 3.864 6.200 8.981
123 1HG ARG 18 2HG ARG 18 5.012 7.702 10.677
124 2HG ARG 18 1HG ARG 18 3.494 7.710 11.572
125 1HD ARG 18 2HD ARG 18 4.865 5.149 10.745
126 2HD ARG 18 1HD ARG 18 5.207 5.947 12.279
127 HE ARG 18 HE ARG 18 2.446 5.731 12.251
128 1HH1 ARG 18 1HH2 ARG 18 5.127 3.606 11.819
129 2HH1 ARG 18 2HH2 ARG 18 4.305 2.223 12.461
130 1HH2 ARG 18 1HH1 ARG 18 1.357 3.937 13.091
131 2HH2 ARG 18 2HH1 ARG 18 2.170 2.410 13.181
132 H VAL 19 H VAL 19 4.441 8.730 6.655
133 HA VAL 19 HA VAL 19 2.078 8.134 4.955
134 HB VAL 19 HB VAL 19 4.734 9.388 4.216
135 1HG1 VAL 19 1HG1 VAL 19 2.234 8.726 2.737
136 2HG1 VAL 19 2HG1 VAL 19 3.890 8.854 2.144
137 3HG1 VAL 19 3HG1 VAL 19 2.934 10.312 2.420
138 1HG2 VAL 19 1HG2 VAL 19 3.096 10.552 5.941
139 2HG2 VAL 19 2HG2 VAL 19 2.158 10.900 4.489
140 3HG2 VAL 19 3HG2 VAL 19 3.814 11.486 4.630
141 H VAL 20 H VAL 20 2.355 6.914 2.979
142 HA VAL 20 HA VAL 20 4.580 4.918 3.092
143 HB VAL 20 HB VAL 20 1.634 4.519 2.598
144 1HG1 VAL 20 1HG1 VAL 20 2.504 2.141 1.837
145 2HG1 VAL 20 2HG1 VAL 20 3.957 3.038 1.390
146 3HG1 VAL 20 3HG1 VAL 20 2.404 3.453 0.664
147 1HG2 VAL 20 1HG2 VAL 20 1.892 2.753 4.190
148 2HG2 VAL 20 2HG2 VAL 20 2.804 4.117 4.832
149 3HG2 VAL 20 3HG2 VAL 20 3.649 2.787 4.045
150 H ASN 21 H ASN 21 5.855 5.306 1.347
151 HA ASN 21 HA ASN 21 4.705 6.737 -0.959
152 1HB ASN 21 2HB ASN 21 7.525 5.875 -0.312
153 2HB ASN 21 1HB ASN 21 7.075 6.777 -1.757
154 1HD2 ASN 21 1HD2 ASN 21 4.973 7.799 0.615
155 2HD2 ASN 21 2HD2 ASN 21 5.832 9.148 1.185
156 H ALA 22 H ALA 22 3.588 5.417 -2.301
157 HA ALA 22 HA ALA 22 5.041 3.113 -3.485
158 1HB ALA 22 1HB ALA 22 2.207 2.914 -2.426
159 2HB ALA 22 2HB ALA 22 3.618 2.227 -1.619
160 3HB ALA 22 3HB ALA 22 3.127 1.628 -3.204
161 H MET 23 H MET 23 4.018 2.453 -5.559
162 HA MET 23 HA MET 23 3.101 3.021 -7.642
163 1HB MET 23 2HB MET 23 1.150 4.749 -6.115
164 2HB MET 23 1HB MET 23 0.887 3.901 -7.637
165 1HG MET 23 2HG MET 23 1.491 2.392 -5.090
166 2HG MET 23 1HG MET 23 -0.150 2.868 -5.508
167 1HE MET 23 1HE MET 23 2.146 0.223 -5.398
168 2HE MET 23 2HE MET 23 1.344 -0.995 -6.388
169 3HE MET 23 3HE MET 23 0.448 -0.183 -5.104
170 H GLY 24 H GLY 24 4.938 4.817 -5.984
171 1HA GLY 24 2HA GLY 24 6.145 6.790 -6.465
172 2HA GLY 24 1HA GLY 24 5.214 6.910 -7.959
173 H LYS 25 H LYS 25 3.577 6.521 -4.959
174 HA LYS 25 HA LYS 25 2.797 9.414 -4.928
175 1HB LYS 25 2HB LYS 25 1.009 6.984 -4.603
176 2HB LYS 25 1HB LYS 25 0.493 8.648 -4.362
177 1HG LYS 25 2HG LYS 25 1.753 8.610 -6.894
178 2HG LYS 25 1HG LYS 25 0.747 7.164 -6.842
179 1HD LYS 25 2HD LYS 25 -1.127 8.695 -5.967
180 2HD LYS 25 1HD LYS 25 -0.108 10.041 -6.479
181 1HE LYS 25 2HE LYS 25 0.015 8.719 -8.749
182 2HE LYS 25 1HE LYS 25 -1.451 7.938 -8.154
183 1HZ LYS 25 1HZ LYS 25 -1.975 9.887 -9.468
184 2HZ LYS 25 2HZ LYS 25 -1.036 10.865 -8.444
185 3HZ LYS 25 3HZ LYS 25 -2.445 10.121 -7.855
186 H GLN 26 H GLN 26 0.989 8.986 -2.770
187 HA GLN 26 HA GLN 26 2.723 8.080 -0.521
188 1HB GLN 26 2HB GLN 26 1.337 10.738 -0.929
189 2HB GLN 26 1HB GLN 26 1.704 10.153 0.687
190 1HG GLN 26 2HG GLN 26 3.977 10.440 0.428
191 2HG GLN 26 1HG GLN 26 3.938 9.994 -1.273
192 1HE2 GLN 26 1HE2 GLN 26 1.540 12.309 -0.846
193 2HE2 GLN 26 2HE2 GLN 26 2.432 13.690 -1.258
194 H TRP 27 H TRP 27 1.412 7.078 1.150
195 HA TRP 27 HA TRP 27 -1.541 7.152 0.692
196 1HB TRP 27 2HB TRP 27 0.087 4.619 1.015
197 2HB TRP 27 1HB TRP 27 -1.657 4.718 0.790
198 HD1 TRP 27 HD TRP 27 1.644 5.320 -1.070
199 HE1 TRP 27 1HE TRP 27 1.165 5.335 -3.605
200 HE3 TRP 27 3HE TRP 27 -3.430 5.038 -0.988
201 HZ2 TRP 27 2HZ TRP 27 -1.096 5.240 -5.364
202 HZ3 TRP 27 3HZ TRP 27 -4.733 5.001 -3.086
203 HH2 TRP 27 HH TRP 27 -3.575 5.101 -5.279
204 H HIS 28 H HIS 28 -2.756 6.988 2.607
205 HA HIS 28 HA HIS 28 -1.455 7.490 5.113
206 1HB HIS 28 2HB HIS 28 -4.193 6.410 4.406
207 2HB HIS 28 1HB HIS 28 -3.665 6.493 6.083
208 HD2 HIS 28 2HD HIS 28 -2.716 9.323 6.701
209 HE1 HIS 28 1HE HIS 28 -5.611 10.916 4.075
210 HE2 HIS 28 2HE HIS 28 -4.007 11.470 5.964
211 H VAL 29 H VAL 29 -0.451 6.030 6.488
212 HA VAL 29 HA VAL 29 0.287 3.452 5.664
213 HB VAL 29 HB VAL 29 0.054 4.763 8.368
214 1HG1 VAL 29 1HG1 VAL 29 0.756 1.896 7.730
215 2HG1 VAL 29 2HG1 VAL 29 -0.366 2.506 8.947
216 3HG1 VAL 29 3HG1 VAL 29 1.373 2.702 9.174
217 1HG2 VAL 29 1HG2 VAL 29 1.860 5.253 6.586
218 2HG2 VAL 29 2HG2 VAL 29 2.482 3.644 6.972
219 3HG2 VAL 29 3HG2 VAL 29 2.408 4.880 8.221
220 H GLU 30 H GLU 30 -2.706 4.616 6.748
221 HA GLU 30 HA GLU 30 -3.675 1.960 7.592
222 1HB GLU 30 2HB GLU 30 -4.361 3.776 9.009
223 2HB GLU 30 1HB GLU 30 -4.913 4.719 7.627
224 1HG GLU 30 2HG GLU 30 -6.771 3.610 8.901
225 2HG GLU 30 1HG GLU 30 -6.713 3.152 7.200
226 H HIS 31 H HIS 31 -3.921 4.187 4.876
227 HA HIS 31 HA HIS 31 -6.113 2.550 3.706
228 1HB HIS 31 2HB HIS 31 -4.854 5.149 2.778
229 2HB HIS 31 1HB HIS 31 -6.162 4.316 1.943
230 HD2 HIS 31 2HD HIS 31 -7.749 3.544 4.888
231 HE1 HIS 31 1HE HIS 31 -8.205 7.732 5.086
232 HE2 HIS 31 2HE HIS 31 -9.040 5.518 5.996
233 H PHE 32 H PHE 32 -2.744 2.545 3.658
234 HA PHE 32 HA PHE 32 -2.542 1.738 0.841
235 1HB PHE 32 2HB PHE 32 -0.623 2.829 2.177
236 2HB PHE 32 1HB PHE 32 -0.425 1.254 2.948
237 HD1 PHE 32 1HD PHE 32 1.155 -0.164 1.968
238 HD2 PHE 32 2HD PHE 32 -1.018 2.582 -0.524
239 HE1 PHE 32 1HE PHE 32 2.361 -1.004 -0.030
240 HE2 PHE 32 2HE PHE 32 0.185 1.736 -2.508
241 HZ PHE 32 HZ PHE 32 1.877 -0.059 -2.264
242 H VAL 33 H VAL 33 -3.577 -0.117 0.408
243 HA VAL 33 HA VAL 33 -3.059 -2.459 2.187
244 HB VAL 33 HB VAL 33 -5.379 -3.147 1.844
245 1HG1 VAL 33 1HG1 VAL 33 -5.708 -1.959 3.731
246 2HG1 VAL 33 2HG1 VAL 33 -6.292 -0.646 2.715
247 3HG1 VAL 33 3HG1 VAL 33 -4.603 -0.687 3.213
248 1HG2 VAL 33 1HG2 VAL 33 -6.939 -1.504 0.727
249 2HG2 VAL 33 2HG2 VAL 33 -5.774 -2.252 -0.367
250 3HG2 VAL 33 3HG2 VAL 33 -5.516 -0.602 0.206
251 H CYS 34 H CYS 34 -3.886 -4.481 1.051
252 HA CYS 34 HA CYS 34 -2.391 -4.902 -1.356
253 1HB CYS 34 2HB CYS 34 -2.727 -6.788 -0.016
254 2HB CYS 34 1HB CYS 34 -4.435 -6.458 0.207
255 H ALA 35 H ALA 35 -3.170 -5.193 -3.502
256 HA ALA 35 HA ALA 35 -5.649 -3.702 -4.086
257 1HB ALA 35 1HB ALA 35 -3.705 -4.944 -6.037
258 2HB ALA 35 2HB ALA 35 -3.447 -3.358 -5.312
259 3HB ALA 35 3HB ALA 35 -4.851 -3.643 -6.347
260 H LYS 36 H LYS 36 -5.627 -6.498 -2.910
261 HA LYS 36 HA LYS 36 -7.427 -7.728 -4.955
262 1HB LYS 36 2HB LYS 36 -5.278 -8.931 -5.043
263 2HB LYS 36 1HB LYS 36 -5.347 -9.209 -3.311
264 1HG LYS 36 2HG LYS 36 -6.101 -11.192 -4.572
265 2HG LYS 36 1HG LYS 36 -7.404 -10.525 -3.593
266 1HD LYS 36 2HD LYS 36 -8.539 -9.662 -5.447
267 2HD LYS 36 1HD LYS 36 -7.083 -9.614 -6.441
268 1HE LYS 36 2HE LYS 36 -8.713 -11.451 -7.052
269 2HE LYS 36 1HE LYS 36 -7.081 -12.010 -6.688
270 1HZ LYS 36 1HZ LYS 36 -8.617 -11.870 -4.319
271 2HZ LYS 36 2HZ LYS 36 -7.856 -13.217 -5.021
272 3HZ LYS 36 3HZ LYS 36 -9.439 -12.801 -5.475
273 H CYS 37 H CYS 37 -6.512 -7.390 -1.563
274 HA CYS 37 HA CYS 37 -9.243 -8.386 -0.815
275 1HB CYS 37 2HB CYS 37 -8.227 -9.342 1.223
276 2HB CYS 37 1HB CYS 37 -7.493 -10.022 -0.228
277 H GLU 38 H GLU 38 -6.951 -5.855 -0.630
278 HA GLU 38 HA GLU 38 -7.064 -3.794 0.416
279 1HB GLU 38 2HB GLU 38 -9.754 -4.540 1.555
280 2HB GLU 38 1HB GLU 38 -9.153 -2.946 1.106
281 1HG GLU 38 2HG GLU 38 -8.989 -3.972 -1.304
282 2HG GLU 38 1HG GLU 38 -10.131 -5.161 -0.677
283 H LYS 39 H LYS 39 -5.649 -5.742 1.696
284 HA LYS 39 HA LYS 39 -6.433 -5.558 4.561
285 1HB LYS 39 2HB LYS 39 -5.719 -7.771 3.382
286 2HB LYS 39 1HB LYS 39 -4.084 -7.125 3.504
287 1HG LYS 39 2HG LYS 39 -5.381 -6.768 6.044
288 2HG LYS 39 1HG LYS 39 -5.621 -8.434 5.535
289 1HD LYS 39 2HD LYS 39 -3.156 -8.588 5.081
290 2HD LYS 39 1HD LYS 39 -2.977 -6.975 5.774
291 1HE LYS 39 2HE LYS 39 -3.993 -9.461 7.175
292 2HE LYS 39 1HE LYS 39 -2.508 -8.576 7.521
293 1HZ LYS 39 1HZ LYS 39 -3.921 -6.628 8.051
294 2HZ LYS 39 2HZ LYS 39 -4.148 -7.940 9.106
295 3HZ LYS 39 3HZ LYS 39 -5.291 -7.615 7.892
296 HA PRO 40 HA PRO 40 -3.477 -2.144 4.316
297 1HB PRO 40 2HB PRO 40 -3.962 -1.449 7.000
298 2HB PRO 40 1HB PRO 40 -4.659 -0.680 5.593
299 1HG PRO 40 2HG PRO 40 -5.929 -2.425 7.520
300 2HG PRO 40 1HG PRO 40 -6.683 -1.539 6.199
301 1HD PRO 40 2HD PRO 40 -6.185 -4.362 6.357
302 2HD PRO 40 1HD PRO 40 -6.869 -3.472 4.986
303 H PHE 41 H PHE 41 -1.387 -2.048 4.835
304 HA PHE 41 HA PHE 41 -0.316 -4.088 6.729
305 1HB PHE 41 2HB PHE 41 1.476 -2.289 5.146
306 2HB PHE 41 1HB PHE 41 1.702 -3.975 5.598
307 HD1 PHE 41 1HD PHE 41 -0.144 -1.694 3.329
308 HD2 PHE 41 2HD PHE 41 0.929 -5.751 4.222
309 HE1 PHE 41 1HE PHE 41 -1.011 -2.411 1.115
310 HE2 PHE 41 2HE PHE 41 0.061 -6.467 2.024
311 HZ PHE 41 HZ PHE 41 -0.908 -4.806 0.463
312 H LEU 42 H LEU 42 -1.530 -2.278 8.227
313 HA LEU 42 HA LEU 42 -0.511 0.180 8.907
314 1HB LEU 42 2HB LEU 42 -1.448 -2.121 10.593
315 2HB LEU 42 1HB LEU 42 -0.758 -0.713 11.396
316 HG LEU 42 HG LEU 42 -2.383 0.750 10.243
317 1HD1 LEU 42 1HD1 LEU 42 -4.250 -0.424 8.995
318 2HD1 LEU 42 2HD1 LEU 42 -3.223 -1.861 9.004
319 3HD1 LEU 42 3HD1 LEU 42 -2.678 -0.390 8.191
320 1HD2 LEU 42 1HD2 LEU 42 -4.523 -0.344 11.211
321 2HD2 LEU 42 2HD2 LEU 42 -3.213 0.007 12.342
322 3HD2 LEU 42 3HD2 LEU 42 -3.454 -1.638 11.752
323 H GLY 43 H GLY 43 0.827 -2.882 10.136
324 1HA GLY 43 2HA GLY 43 3.523 -1.592 10.207
325 2HA GLY 43 1HA GLY 43 2.938 -2.504 11.599
326 H HIS 44 H HIS 44 2.172 -3.457 8.326
327 HA HIS 44 HA HIS 44 3.958 -5.844 8.671
328 1HB HIS 44 2HB HIS 44 1.589 -5.931 6.844
329 2HB HIS 44 1HB HIS 44 2.311 -7.220 7.806
330 HD1 HIS 44 1HD HIS 44 -0.777 -5.954 7.741
331 HD2 HIS 44 2HD HIS 44 2.069 -5.755 10.777
332 HE1 HIS 44 1HE HIS 44 -2.051 -5.538 9.890
333 H ARG 45 H ARG 45 4.361 -6.883 6.390
334 HA ARG 45 HA ARG 45 5.545 -4.750 4.718
335 1HB ARG 45 2HB ARG 45 6.185 -7.052 3.421
336 2HB ARG 45 1HB ARG 45 7.127 -6.418 4.768
337 1HG ARG 45 2HG ARG 45 5.948 -7.817 6.339
338 2HG ARG 45 1HG ARG 45 4.825 -8.359 5.095
339 1HD ARG 45 2HD ARG 45 7.150 -9.041 3.901
340 2HD ARG 45 1HD ARG 45 7.651 -9.179 5.585
341 HE ARG 45 HE ARG 45 6.200 -11.146 4.254
342 1HH1 ARG 45 1HH2 ARG 45 5.717 -9.127 7.019
343 2HH1 ARG 45 2HH2 ARG 45 4.580 -10.201 7.756
344 1HH2 ARG 45 1HH1 ARG 45 4.733 -12.548 5.217
345 2HH2 ARG 45 2HH1 ARG 45 4.029 -12.135 6.744
346 H HIS 46 H HIS 46 5.068 -4.530 2.481
347 HA HIS 46 HA HIS 46 2.503 -5.817 1.617
348 1HB HIS 46 2HB HIS 46 2.296 -3.750 0.113
349 2HB HIS 46 1HB HIS 46 1.986 -3.516 1.827
350 HD1 HIS 46 1HD HIS 46 3.862 -2.293 3.224
351 HD2 HIS 46 2HD HIS 46 4.594 -2.458 -0.879
352 HE1 HIS 46 1HE HIS 46 5.749 -0.666 2.767
353 H TYR 47 H TYR 47 2.345 -5.828 -0.827
354 HA TYR 47 HA TYR 47 5.011 -6.222 -2.106
355 1HB TYR 47 2HB TYR 47 2.721 -8.158 -2.418
356 2HB TYR 47 1HB TYR 47 4.410 -8.407 -2.817
357 HD1 TYR 47 1HD TYR 47 5.911 -9.305 -1.191
358 HD2 TYR 47 2HD TYR 47 2.126 -7.709 0.064
359 HE1 TYR 47 1HE TYR 47 6.339 -10.060 1.131
360 HE2 TYR 47 2HE TYR 47 2.568 -8.468 2.372
361 HH TYR 47 HH TYR 47 4.009 -9.437 3.738
362 H GLU 48 H GLU 48 5.072 -5.347 -4.145
363 HA GLU 48 HA GLU 48 2.520 -4.219 -5.201
364 1HB GLU 48 2HB GLU 48 5.410 -3.450 -5.437
365 2HB GLU 48 1HB GLU 48 4.257 -2.904 -6.656
366 1HG GLU 48 2HG GLU 48 2.849 -1.919 -4.892
367 2HG GLU 48 1HG GLU 48 3.996 -2.462 -3.668
368 H ARG 49 H ARG 49 1.962 -4.385 -7.376
369 HA ARG 49 HA ARG 49 3.569 -6.166 -9.115
370 1HB ARG 49 2HB ARG 49 1.967 -7.654 -7.925
371 2HB ARG 49 1HB ARG 49 0.638 -6.696 -8.567
372 1HG ARG 49 2HG ARG 49 1.951 -7.188 -10.878
373 2HG ARG 49 1HG ARG 49 2.437 -8.614 -9.972
374 1HD ARG 49 2HD ARG 49 0.354 -8.961 -11.298
375 2HD ARG 49 1HD ARG 49 0.128 -9.203 -9.567
376 HE ARG 49 HE ARG 49 -0.583 -6.585 -9.861
377 1HH1 ARG 49 1HH2 ARG 49 -1.340 -9.483 -11.568
378 2HH1 ARG 49 2HH2 ARG 49 -2.963 -9.002 -11.935
379 1HH2 ARG 49 1HH1 ARG 49 -2.702 -5.943 -10.326
380 2HH2 ARG 49 2HH1 ARG 49 -3.733 -6.998 -11.232
381 H LYS 50 H LYS 50 3.493 -5.512 -11.178
382 HA LYS 50 HA LYS 50 3.157 -4.006 -12.928
383 1HB LYS 50 2HB LYS 50 0.990 -4.229 -13.945
384 2HB LYS 50 1HB LYS 50 1.382 -5.781 -13.210
385 1HG LYS 50 2HG LYS 50 -0.113 -5.446 -11.415
386 2HG LYS 50 1HG LYS 50 -0.217 -3.711 -11.696
387 1HD LYS 50 2HD LYS 50 -1.076 -5.499 -13.929
388 2HD LYS 50 1HD LYS 50 -2.136 -5.398 -12.525
389 1HE LYS 50 2HE LYS 50 -2.470 -3.691 -14.473
390 2HE LYS 50 1HE LYS 50 -2.517 -3.104 -12.810
391 1HZ LYS 50 1HZ LYS 50 0.049 -2.863 -13.240
392 2HZ LYS 50 2HZ LYS 50 -1.043 -1.645 -13.702
393 3HZ LYS 50 3HZ LYS 50 -0.456 -2.746 -14.855
394 H GLY 51 H GLY 51 2.972 -2.955 -10.116
395 1HA GLY 51 2HA GLY 51 2.908 -0.633 -9.528
396 2HA GLY 51 1HA GLY 51 1.883 -0.339 -10.925
397 H LEU 52 H LEU 52 1.273 -2.916 -8.658
398 HA LEU 52 HA LEU 52 -0.870 -1.341 -7.348
399 1HB LEU 52 2HB LEU 52 -1.260 -3.817 -9.005
400 2HB LEU 52 1HB LEU 52 -2.329 -3.504 -7.643
401 HG LEU 52 HG LEU 52 -1.815 -1.605 -9.950
402 1HD1 LEU 52 1HD1 LEU 52 -3.990 -2.221 -10.741
403 2HD1 LEU 52 2HD1 LEU 52 -4.342 -3.123 -9.266
404 3HD1 LEU 52 3HD1 LEU 52 -3.144 -3.734 -10.408
405 1HD2 LEU 52 1HD2 LEU 52 -3.176 -1.362 -7.316
406 2HD2 LEU 52 2HD2 LEU 52 -4.093 -0.752 -8.697
407 3HD2 LEU 52 3HD2 LEU 52 -2.489 -0.108 -8.352
408 H ALA 53 H ALA 53 -1.181 -1.931 -5.234
409 HA ALA 53 HA ALA 53 0.877 -3.570 -4.044
410 1HB ALA 53 1HB ALA 53 -1.602 -2.259 -2.923
411 2HB ALA 53 2HB ALA 53 0.073 -1.728 -2.742
412 3HB ALA 53 3HB ALA 53 -0.483 -3.192 -1.923
413 H TYR 54 H TYR 54 0.620 -5.503 -2.871
414 HA TYR 54 HA TYR 54 -1.923 -6.942 -3.002
415 1HB TYR 54 2HB TYR 54 0.519 -7.768 -4.563
416 2HB TYR 54 1HB TYR 54 -0.673 -8.944 -4.028
417 HD1 TYR 54 1HD TYR 54 0.110 -6.341 -6.382
418 HD2 TYR 54 2HD TYR 54 -3.081 -8.667 -4.714
419 HE1 TYR 54 1HE TYR 54 -1.324 -5.704 -8.261
420 HE2 TYR 54 2HE TYR 54 -4.543 -8.005 -6.630
421 HH TYR 54 HH TYR 54 -4.673 -6.901 -8.539
422 H CYS 55 H CYS 55 -2.028 -8.398 -1.261
423 HA CYS 55 HA CYS 55 -0.143 -8.124 0.821
424 1HB CYS 55 2HB CYS 55 -2.074 -10.377 0.199
425 2HB CYS 55 1HB CYS 55 -1.100 -10.340 1.665
426 H GLU 56 H GLU 56 1.002 -10.293 1.676
427 HA GLU 56 HA GLU 56 3.147 -10.904 -0.124
428 1HB GLU 56 2HB GLU 56 3.145 -11.107 2.434
429 2HB GLU 56 1HB GLU 56 2.284 -12.622 2.214
430 1HG GLU 56 2HG GLU 56 4.886 -12.066 0.784
431 2HG GLU 56 1HG GLU 56 4.846 -12.763 2.403
432 H THR 57 H THR 57 0.191 -12.627 0.760
433 HA THR 57 HA THR 57 0.855 -14.919 -0.942
434 HB THR 57 HB THR 57 -1.574 -14.235 0.723
435 HG1 THR 57 1HG THR 57 -0.276 -15.013 2.166
436 1HG2 THR 57 1HG2 THR 57 -0.970 -16.608 -1.042
437 2HG2 THR 57 2HG2 THR 57 -2.411 -15.593 -1.036
438 3HG2 THR 57 3HG2 THR 57 -2.111 -16.705 0.299
439 H HIS 58 H HIS 58 -1.442 -12.199 -1.071
440 HA HIS 58 HA HIS 58 -2.747 -13.187 -3.421
441 1HB HIS 58 2HB HIS 58 -2.518 -10.385 -2.313
442 2HB HIS 58 1HB HIS 58 -3.576 -10.848 -3.642
443 HD2 HIS 58 2HD HIS 58 -4.709 -13.687 -2.361
444 HE1 HIS 58 1HE HIS 58 -6.037 -11.301 0.858
445 HE2 HIS 58 2HE HIS 58 -6.282 -13.552 -0.287
446 H TYR 59 H TYR 59 -0.129 -10.846 -2.888
447 HA TYR 59 HA TYR 59 0.388 -10.128 -5.532
448 1HB TYR 59 2HB TYR 59 1.659 -9.166 -3.708
449 2HB TYR 59 1HB TYR 59 2.272 -10.736 -3.234
450 HD1 TYR 59 1HD TYR 59 1.906 -9.451 -6.700
451 HD2 TYR 59 2HD TYR 59 4.619 -10.446 -3.527
452 HE1 TYR 59 1HE TYR 59 3.795 -9.189 -8.232
453 HE2 TYR 59 2HE TYR 59 6.529 -10.162 -5.077
454 HH TYR 59 HH TYR 59 6.632 -10.379 -7.912
455 H ASN 60 H ASN 60 1.824 -12.727 -3.648
456 HA ASN 60 HA ASN 60 3.107 -13.947 -5.852
457 1HB ASN 60 2HB ASN 60 2.345 -14.933 -3.111
458 2HB ASN 60 1HB ASN 60 3.097 -16.013 -4.283
459 1HD2 ASN 60 1HD2 ASN 60 3.756 -13.628 -1.911
460 2HD2 ASN 60 2HD2 ASN 60 5.391 -13.372 -2.289
461 H GLN 61 H GLN 61 -0.034 -14.629 -4.299
462 HA GLN 61 HA GLN 61 -0.696 -16.881 -5.934
463 1HB GLN 61 2HB GLN 61 -2.388 -14.759 -4.619
464 2HB GLN 61 1HB GLN 61 -3.122 -16.005 -5.620
465 1HG GLN 61 2HG GLN 61 -1.242 -16.679 -3.357
466 2HG GLN 61 1HG GLN 61 -2.978 -16.501 -3.106
467 1HE2 GLN 61 1HE2 GLN 61 -4.408 -18.080 -4.155
468 2HE2 GLN 61 2HE2 GLN 61 -3.801 -19.547 -4.753
469 H LEU 62 H LEU 62 -0.859 -13.441 -6.414
470 HA LEU 62 HA LEU 62 -2.149 -13.550 -9.006
471 1HB LEU 62 2HB LEU 62 -0.820 -11.478 -7.315
472 2HB LEU 62 1HB LEU 62 -0.937 -11.149 -9.035
473 HG LEU 62 HG LEU 62 -3.469 -11.934 -8.624
474 1HD1 LEU 62 1HD1 LEU 62 -2.586 -10.760 -5.977
475 2HD1 LEU 62 2HD1 LEU 62 -3.188 -12.402 -6.238
476 3HD1 LEU 62 3HD1 LEU 62 -4.260 -11.021 -6.460
477 1HD2 LEU 62 1HD2 LEU 62 -2.251 -9.230 -8.065
478 2HD2 LEU 62 2HD2 LEU 62 -3.990 -9.497 -8.229
479 3HD2 LEU 62 3HD2 LEU 62 -2.917 -9.814 -9.589
480 H PHE 63 H PHE 63 1.189 -13.426 -7.868
481 HA PHE 63 HA PHE 63 2.106 -14.392 -10.501
482 1HB PHE 63 2HB PHE 63 2.631 -11.647 -9.438
483 2HB PHE 63 1HB PHE 63 3.954 -12.467 -10.263
484 HD1 PHE 63 1HD PHE 63 0.505 -11.207 -10.606
485 HD2 PHE 63 2HD PHE 63 3.892 -12.870 -12.642
486 HE1 PHE 63 1HE PHE 63 -0.535 -10.639 -12.788
487 HE2 PHE 63 2HE PHE 63 2.860 -12.306 -14.827
488 HZ PHE 63 HZ PHE 63 0.646 -11.190 -14.900
489 H GLY 64 H GLY 64 3.945 -12.702 -8.040
490 1HA GLY 64 2HA GLY 64 5.548 -13.468 -6.499
491 2HA GLY 64 1HA GLY 64 4.833 -15.073 -6.641
492 H ASP 65 H ASP 65 5.283 -14.492 -9.710
493 HA ASP 65 HA ASP 65 7.895 -14.326 -10.496
494 1HB ASP 65 2HB ASP 65 8.857 -15.892 -9.061
495 2HB ASP 65 1HB ASP 65 7.419 -16.912 -9.048
496 H VAL 66 H VAL 66 4.848 -15.869 -10.728
497 HA VAL 66 HA VAL 66 5.312 -17.089 -13.342
498 HB VAL 66 HB VAL 66 2.707 -16.484 -11.911
499 1HG1 VAL 66 1HG1 VAL 66 3.449 -18.166 -14.308
500 2HG1 VAL 66 2HG1 VAL 66 2.220 -16.905 -14.198
501 3HG1 VAL 66 3HG1 VAL 66 1.971 -18.453 -13.390
502 1HG2 VAL 66 1HG2 VAL 66 2.828 -18.857 -11.211
503 2HG2 VAL 66 2HG2 VAL 66 4.194 -17.935 -10.580
504 3HG2 VAL 66 3HG2 VAL 66 4.413 -18.995 -11.972
Start of MODEL 7
1 1H GLY 1 1HT GLY 1 -0.283 25.730 -4.625
2 2H GLY 1 2HT GLY 1 -0.399 26.291 -3.025
3 3H GLY 1 3HT GLY 1 -0.426 24.623 -3.348
4 1HA GLY 1 2HA GLY 1 1.906 25.528 -4.496
5 2HA GLY 1 1HA GLY 1 1.801 26.332 -2.929
6 H SER 2 H SER 2 0.005 23.800 -2.270
7 HA SER 2 HA SER 2 0.390 21.821 -1.070
8 1HB SER 2 2HB SER 2 1.170 21.204 -3.434
9 2HB SER 2 1HB SER 2 2.810 21.483 -2.854
10 HG SER 2 HG SER 2 2.157 19.985 -1.092
11 H MET 3 H MET 3 1.017 22.420 0.986
12 HA MET 3 HA MET 3 3.605 23.619 1.538
13 1HB MET 3 2HB MET 3 1.413 22.488 3.288
14 2HB MET 3 1HB MET 3 2.920 23.115 3.957
15 1HG MET 3 2HG MET 3 2.509 25.287 2.864
16 2HG MET 3 1HG MET 3 1.006 24.663 2.184
17 1HE MET 3 1HE MET 3 3.142 25.206 5.104
18 2HE MET 3 2HE MET 3 2.334 23.970 6.064
19 3HE MET 3 3HE MET 3 2.108 25.671 6.461
20 H GLY 4 H GLY 4 3.639 20.999 0.161
21 1HA GLY 4 2HA GLY 4 5.231 19.237 0.241
22 2HA GLY 4 1HA GLY 4 5.627 19.711 1.893
23 H VAL 5 H VAL 5 2.708 19.705 2.591
24 HA VAL 5 HA VAL 5 2.447 17.257 3.851
25 HB VAL 5 HB VAL 5 0.455 19.215 2.776
26 1HG1 VAL 5 1HG1 VAL 5 -0.812 17.305 2.277
27 2HG1 VAL 5 2HG1 VAL 5 -1.291 17.671 3.938
28 3HG1 VAL 5 3HG1 VAL 5 -0.134 16.386 3.624
29 1HG2 VAL 5 1HG2 VAL 5 1.126 18.049 5.488
30 2HG2 VAL 5 2HG2 VAL 5 -0.254 19.115 5.209
31 3HG2 VAL 5 3HG2 VAL 5 1.389 19.705 4.935
32 HA PRO 6 HA PRO 6 1.999 14.477 0.401
33 1HB PRO 6 2HB PRO 6 1.534 12.266 2.106
34 2HB PRO 6 1HB PRO 6 3.098 12.768 1.460
35 1HG PRO 6 2HG PRO 6 2.183 12.941 4.198
36 2HG PRO 6 1HG PRO 6 3.764 13.370 3.539
37 1HD PRO 6 2HD PRO 6 1.608 15.138 4.362
38 2HD PRO 6 1HD PRO 6 3.247 15.552 3.855
39 H ILE 7 H ILE 7 0.303 13.013 -0.357
40 HA ILE 7 HA ILE 7 -2.281 13.386 1.064
41 HB ILE 7 HB ILE 7 -1.657 14.044 -1.811
42 1HG1 ILE 7 2HG1 ILE 7 -3.239 15.422 0.359
43 2HG1 ILE 7 1HG1 ILE 7 -1.542 15.737 0.055
44 1HG2 ILE 7 1HG2 ILE 7 -3.565 12.634 -2.028
45 2HG2 ILE 7 2HG2 ILE 7 -4.223 14.269 -1.956
46 3HG2 ILE 7 3HG2 ILE 7 -4.271 13.235 -0.528
47 1HD1 ILE 7 1HD1 ILE 7 -3.314 17.306 -1.006
48 2HD1 ILE 7 2HD1 ILE 7 -3.584 15.983 -2.146
49 3HD1 ILE 7 3HD1 ILE 7 -1.991 16.735 -2.027
50 H CYS 8 H CYS 8 -3.093 11.494 1.471
51 HA CYS 8 HA CYS 8 -2.048 9.060 0.547
52 1HB CYS 8 2HB CYS 8 -3.315 9.132 2.587
53 2HB CYS 8 1HB CYS 8 -4.743 9.707 1.738
54 H GLY 9 H GLY 9 -2.094 8.293 -1.445
55 1HA GLY 9 2HA GLY 9 -3.775 9.263 -3.521
56 2HA GLY 9 1HA GLY 9 -2.846 7.767 -3.603
57 H ALA 10 H ALA 10 -4.595 7.444 -0.881
58 HA ALA 10 HA ALA 10 -6.549 5.704 -2.219
59 1HB ALA 10 1HB ALA 10 -5.197 5.355 0.059
60 2HB ALA 10 2HB ALA 10 -6.802 4.669 -0.167
61 3HB ALA 10 3HB ALA 10 -6.603 6.171 0.735
62 H CYS 11 H CYS 11 -6.785 8.253 0.264
63 HA CYS 11 HA CYS 11 -9.574 8.776 -0.637
64 1HB CYS 11 2HB CYS 11 -9.464 10.309 1.485
65 2HB CYS 11 1HB CYS 11 -9.569 8.561 1.700
66 H ARG 12 H ARG 12 -6.516 9.843 -1.336
67 HA ARG 12 HA ARG 12 -5.678 11.800 -2.295
68 1HB ARG 12 2HB ARG 12 -8.633 12.180 -2.884
69 2HB ARG 12 1HB ARG 12 -7.353 13.183 -3.557
70 1HG ARG 12 2HG ARG 12 -7.541 11.624 -5.257
71 2HG ARG 12 1HG ARG 12 -6.342 10.811 -4.254
72 1HD ARG 12 2HD ARG 12 -8.180 9.283 -4.933
73 2HD ARG 12 1HD ARG 12 -8.103 9.480 -3.184
74 HE ARG 12 HE ARG 12 -9.911 11.419 -3.990
75 1HH1 ARG 12 1HH2 ARG 12 -9.513 8.024 -4.434
76 2HH1 ARG 12 2HH2 ARG 12 -11.212 7.707 -4.553
77 1HH2 ARG 12 1HH1 ARG 12 -12.131 11.025 -4.143
78 2HH2 ARG 12 2HH1 ARG 12 -12.694 9.405 -4.388
79 H ARG 13 H ARG 13 -6.131 11.811 0.494
80 HA ARG 13 HA ARG 13 -6.942 14.652 0.953
81 1HB ARG 13 2HB ARG 13 -7.162 12.223 2.742
82 2HB ARG 13 1HB ARG 13 -7.309 13.865 3.361
83 1HG ARG 13 2HG ARG 13 -9.022 12.692 1.150
84 2HG ARG 13 1HG ARG 13 -9.518 12.845 2.832
85 1HD ARG 13 2HD ARG 13 -10.389 14.828 2.072
86 2HD ARG 13 1HD ARG 13 -8.749 15.396 2.374
87 HE ARG 13 HE ARG 13 -8.657 14.446 -0.230
88 1HH1 ARG 13 1HH2 ARG 13 -10.606 16.648 1.572
89 2HH1 ARG 13 2HH2 ARG 13 -10.951 17.663 0.211
90 1HH2 ARG 13 1HH1 ARG 13 -9.096 15.759 -2.016
91 2HH2 ARG 13 2HH1 ARG 13 -10.096 17.159 -1.820
92 HA PRO 14 HA PRO 14 -2.784 15.428 2.087
93 1HB PRO 14 2HB PRO 14 -3.472 17.072 4.363
94 2HB PRO 14 1HB PRO 14 -2.913 17.583 2.767
95 1HG PRO 14 2HG PRO 14 -5.536 17.876 3.818
96 2HG PRO 14 1HG PRO 14 -4.980 18.248 2.179
97 1HD PRO 14 2HD PRO 14 -6.656 16.033 3.043
98 2HD PRO 14 1HD PRO 14 -6.199 16.493 1.390
99 H ILE 15 H ILE 15 -1.679 13.749 2.982
100 HA ILE 15 HA ILE 15 -2.603 12.385 5.372
101 HB ILE 15 HB ILE 15 0.098 12.306 3.976
102 1HG1 ILE 15 2HG1 ILE 15 -1.888 10.074 3.974
103 2HG1 ILE 15 1HG1 ILE 15 -2.223 11.465 2.948
104 1HG2 ILE 15 1HG2 ILE 15 -1.039 10.857 6.350
105 2HG2 ILE 15 2HG2 ILE 15 0.596 11.465 6.102
106 3HG2 ILE 15 3HG2 ILE 15 0.061 10.001 5.269
107 1HD1 ILE 15 1HD1 ILE 15 -0.759 9.422 2.062
108 2HD1 ILE 15 2HD1 ILE 15 0.534 10.309 2.870
109 3HD1 ILE 15 3HD1 ILE 15 -0.393 11.080 1.588
110 H GLU 16 H GLU 16 -1.343 12.380 7.481
111 HA GLU 16 HA GLU 16 0.387 14.724 7.915
112 1HB GLU 16 2HB GLU 16 -1.254 15.501 9.802
113 2HB GLU 16 1HB GLU 16 -1.568 15.976 8.134
114 1HG GLU 16 2HG GLU 16 -3.601 15.100 9.304
115 2HG GLU 16 1HG GLU 16 -3.176 14.173 7.866
116 H GLY 17 H GLY 17 1.402 12.420 8.372
117 1HA GLY 17 2HA GLY 17 2.110 12.316 11.092
118 2HA GLY 17 1HA GLY 17 0.822 11.129 10.870
119 H ARG 18 H ARG 18 1.226 9.300 9.684
120 HA ARG 18 HA ARG 18 4.073 8.846 8.889
121 1HB ARG 18 2HB ARG 18 3.409 6.400 9.069
122 2HB ARG 18 1HB ARG 18 3.417 7.280 10.594
123 1HG ARG 18 2HG ARG 18 0.977 7.657 10.375
124 2HG ARG 18 1HG ARG 18 0.979 6.708 8.889
125 1HD ARG 18 2HD ARG 18 1.971 4.802 10.232
126 2HD ARG 18 1HD ARG 18 1.657 5.755 11.680
127 HE ARG 18 HE ARG 18 -0.789 5.705 10.381
128 1HH1 ARG 18 1HH2 ARG 18 1.540 3.386 11.423
129 2HH1 ARG 18 2HH2 ARG 18 0.369 2.143 11.711
130 1HH2 ARG 18 1HH1 ARG 18 -2.332 4.094 10.751
131 2HH2 ARG 18 2HH1 ARG 18 -1.823 2.544 11.330
132 H VAL 19 H VAL 19 4.446 8.256 6.746
133 HA VAL 19 HA VAL 19 2.018 8.036 4.995
134 HB VAL 19 HB VAL 19 4.669 9.346 4.320
135 1HG1 VAL 19 1HG1 VAL 19 2.940 10.253 2.470
136 2HG1 VAL 19 2HG1 VAL 19 2.194 8.687 2.780
137 3HG1 VAL 19 3HG1 VAL 19 3.870 8.772 2.232
138 1HG2 VAL 19 1HG2 VAL 19 3.723 11.419 4.759
139 2HG2 VAL 19 2HG2 VAL 19 2.924 10.459 6.003
140 3HG2 VAL 19 3HG2 VAL 19 2.081 10.836 4.502
141 H VAL 20 H VAL 20 2.376 6.884 2.971
142 HA VAL 20 HA VAL 20 4.636 4.932 3.072
143 HB VAL 20 HB VAL 20 1.700 4.441 2.631
144 1HG1 VAL 20 1HG1 VAL 20 2.584 2.124 1.760
145 2HG1 VAL 20 2HG1 VAL 20 4.028 3.043 1.325
146 3HG1 VAL 20 3HG1 VAL 20 2.464 3.475 0.632
147 1HG2 VAL 20 1HG2 VAL 20 3.749 2.638 3.911
148 2HG2 VAL 20 2HG2 VAL 20 2.016 2.736 4.224
149 3HG2 VAL 20 3HG2 VAL 20 3.089 4.013 4.791
150 H ASN 21 H ASN 21 5.885 5.333 1.318
151 HA ASN 21 HA ASN 21 4.694 6.760 -0.972
152 1HB ASN 21 2HB ASN 21 7.539 5.938 -0.376
153 2HB ASN 21 1HB ASN 21 7.046 6.879 -1.781
154 1HD2 ASN 21 1HD2 ASN 21 4.964 7.802 0.636
155 2HD2 ASN 21 2HD2 ASN 21 5.814 9.139 1.246
156 H ALA 22 H ALA 22 3.590 5.416 -2.301
157 HA ALA 22 HA ALA 22 5.079 3.146 -3.506
158 1HB ALA 22 1HB ALA 22 3.665 2.255 -1.615
159 2HB ALA 22 2HB ALA 22 3.228 1.609 -3.197
160 3HB ALA 22 3HB ALA 22 2.247 2.876 -2.461
161 H MET 23 H MET 23 4.052 2.474 -5.575
162 HA MET 23 HA MET 23 3.103 3.031 -7.647
163 1HB MET 23 2HB MET 23 1.145 4.735 -6.107
164 2HB MET 23 1HB MET 23 0.879 3.874 -7.621
165 1HG MET 23 2HG MET 23 1.517 2.400 -5.060
166 2HG MET 23 1HG MET 23 -0.132 2.836 -5.490
167 1HE MET 23 1HE MET 23 1.459 -1.004 -6.325
168 2HE MET 23 2HE MET 23 0.520 -0.213 -5.057
169 3HE MET 23 3HE MET 23 2.201 0.249 -5.318
170 H GLY 24 H GLY 24 4.930 4.852 -6.001
171 1HA GLY 24 2HA GLY 24 6.106 6.842 -6.491
172 2HA GLY 24 1HA GLY 24 5.160 6.950 -7.978
173 H LYS 25 H LYS 25 3.572 6.533 -4.953
174 HA LYS 25 HA LYS 25 2.724 9.406 -4.926
175 1HB LYS 25 2HB LYS 25 1.003 6.937 -4.544
176 2HB LYS 25 1HB LYS 25 0.452 8.592 -4.317
177 1HG LYS 25 2HG LYS 25 1.639 8.607 -6.858
178 2HG LYS 25 1HG LYS 25 0.764 7.078 -6.791
179 1HD LYS 25 2HD LYS 25 -0.866 8.581 -7.566
180 2HD LYS 25 1HD LYS 25 -1.202 8.498 -5.841
181 1HE LYS 25 2HE LYS 25 -1.206 10.818 -6.333
182 2HE LYS 25 1HE LYS 25 0.379 10.522 -5.617
183 1HZ LYS 25 1HZ LYS 25 1.430 10.761 -7.605
184 2HZ LYS 25 2HZ LYS 25 0.122 11.813 -7.868
185 3HZ LYS 25 3HZ LYS 25 0.097 10.243 -8.517
186 H GLN 26 H GLN 26 0.947 8.917 -2.749
187 HA GLN 26 HA GLN 26 2.715 8.055 -0.511
188 1HB GLN 26 2HB GLN 26 1.332 10.712 -0.908
189 2HB GLN 26 1HB GLN 26 1.698 10.123 0.707
190 1HG GLN 26 2HG GLN 26 3.957 10.452 0.462
191 2HG GLN 26 1HG GLN 26 3.946 9.931 -1.218
192 1HE2 GLN 26 1HE2 GLN 26 1.542 12.281 -0.844
193 2HE2 GLN 26 2HE2 GLN 26 2.436 13.636 -1.335
194 H TRP 27 H TRP 27 1.435 7.037 1.156
195 HA TRP 27 HA TRP 27 -1.526 7.114 0.754
196 1HB TRP 27 2HB TRP 27 0.099 4.576 1.052
197 2HB TRP 27 1HB TRP 27 -1.646 4.684 0.831
198 HD1 TRP 27 HD TRP 27 1.654 5.301 -1.037
199 HE1 TRP 27 1HE TRP 27 1.170 5.307 -3.570
200 HE3 TRP 27 3HE TRP 27 -3.417 4.973 -0.946
201 HZ2 TRP 27 2HZ TRP 27 -1.093 5.189 -5.325
202 HZ3 TRP 27 3HZ TRP 27 -4.723 4.922 -3.041
203 HH2 TRP 27 HH TRP 27 -3.569 5.029 -5.237
204 H HIS 28 H HIS 28 -2.693 6.995 2.698
205 HA HIS 28 HA HIS 28 -1.348 7.459 5.185
206 1HB HIS 28 2HB HIS 28 -4.097 6.374 4.516
207 2HB HIS 28 1HB HIS 28 -3.537 6.444 6.184
208 HD2 HIS 28 2HD HIS 28 -2.590 9.272 6.811
209 HE1 HIS 28 1HE HIS 28 -5.545 10.875 4.258
210 HE2 HIS 28 2HE HIS 28 -3.907 11.419 6.122
211 H VAL 29 H VAL 29 -0.298 5.950 6.515
212 HA VAL 29 HA VAL 29 0.352 3.369 5.605
213 HB VAL 29 HB VAL 29 0.295 4.636 8.337
214 1HG1 VAL 29 1HG1 VAL 29 -0.178 2.391 8.911
215 2HG1 VAL 29 2HG1 VAL 29 1.577 2.515 9.045
216 3HG1 VAL 29 3HG1 VAL 29 0.851 1.756 7.628
217 1HG2 VAL 29 1HG2 VAL 29 2.599 3.449 6.792
218 2HG2 VAL 29 2HG2 VAL 29 2.652 4.652 8.072
219 3HG2 VAL 29 3HG2 VAL 29 2.029 5.092 6.481
220 H GLU 30 H GLU 30 -2.562 4.577 6.809
221 HA GLU 30 HA GLU 30 -3.558 1.948 7.695
222 1HB GLU 30 2HB GLU 30 -4.093 3.986 9.009
223 2HB GLU 30 1HB GLU 30 -4.949 4.639 7.612
224 1HG GLU 30 2HG GLU 30 -6.563 3.614 9.114
225 2HG GLU 30 1HG GLU 30 -6.447 2.633 7.654
226 H HIS 31 H HIS 31 -3.828 4.150 4.961
227 HA HIS 31 HA HIS 31 -6.049 2.513 3.841
228 1HB HIS 31 2HB HIS 31 -4.819 5.118 2.885
229 2HB HIS 31 1HB HIS 31 -6.145 4.281 2.084
230 HD2 HIS 31 2HD HIS 31 -7.680 3.511 5.048
231 HE1 HIS 31 1HE HIS 31 -8.111 7.700 5.279
232 HE2 HIS 31 2HE HIS 31 -8.940 5.484 6.190
233 H PHE 32 H PHE 32 -2.685 2.509 3.728
234 HA PHE 32 HA PHE 32 -2.519 1.724 0.904
235 1HB PHE 32 2HB PHE 32 -0.583 2.788 2.244
236 2HB PHE 32 1HB PHE 32 -0.390 1.201 2.991
237 HD1 PHE 32 1HD PHE 32 1.197 -0.190 1.988
238 HD2 PHE 32 2HD PHE 32 -1.005 2.569 -0.465
239 HE1 PHE 32 1HE PHE 32 2.401 -1.000 -0.023
240 HE2 PHE 32 2HE PHE 32 0.196 1.752 -2.463
241 HZ PHE 32 HZ PHE 32 1.902 -0.032 -2.245
242 H VAL 33 H VAL 33 -3.550 -0.129 0.446
243 HA VAL 33 HA VAL 33 -3.048 -2.488 2.208
244 HB VAL 33 HB VAL 33 -5.374 -3.158 1.864
245 1HG1 VAL 33 1HG1 VAL 33 -4.576 -0.718 3.259
246 2HG1 VAL 33 2HG1 VAL 33 -5.688 -1.990 3.766
247 3HG1 VAL 33 3HG1 VAL 33 -6.268 -0.662 2.767
248 1HG2 VAL 33 1HG2 VAL 33 -5.767 -2.232 -0.336
249 2HG2 VAL 33 2HG2 VAL 33 -5.500 -0.591 0.258
250 3HG2 VAL 33 3HG2 VAL 33 -6.926 -1.492 0.771
251 H CYS 34 H CYS 34 -3.878 -4.498 1.065
252 HA CYS 34 HA CYS 34 -2.394 -4.930 -1.340
253 1HB CYS 34 2HB CYS 34 -2.787 -6.821 -0.027
254 2HB CYS 34 1HB CYS 34 -4.486 -6.448 0.196
255 H ALA 35 H ALA 35 -3.156 -5.174 -3.495
256 HA ALA 35 HA ALA 35 -5.602 -3.623 -4.084
257 1HB ALA 35 1HB ALA 35 -3.370 -3.289 -5.267
258 2HB ALA 35 2HB ALA 35 -4.766 -3.513 -6.325
259 3HB ALA 35 3HB ALA 35 -3.653 -4.848 -6.041
260 H LYS 36 H LYS 36 -5.645 -6.433 -2.968
261 HA LYS 36 HA LYS 36 -7.428 -7.600 -5.066
262 1HB LYS 36 2HB LYS 36 -5.277 -8.817 -5.139
263 2HB LYS 36 1HB LYS 36 -5.400 -9.150 -3.419
264 1HG LYS 36 2HG LYS 36 -6.144 -11.090 -4.717
265 2HG LYS 36 1HG LYS 36 -7.499 -10.400 -3.826
266 1HD LYS 36 2HD LYS 36 -8.478 -9.498 -5.752
267 2HD LYS 36 1HD LYS 36 -6.954 -9.486 -6.641
268 1HE LYS 36 2HE LYS 36 -8.644 -11.285 -7.321
269 2HE LYS 36 1HE LYS 36 -7.010 -11.845 -6.969
270 1HZ LYS 36 1HZ LYS 36 -9.476 -12.321 -5.536
271 2HZ LYS 36 2HZ LYS 36 -8.144 -11.943 -4.550
272 3HZ LYS 36 3HZ LYS 36 -8.068 -13.263 -5.617
273 H CYS 37 H CYS 37 -6.562 -7.305 -1.663
274 HA CYS 37 HA CYS 37 -9.305 -8.298 -0.969
275 1HB CYS 37 2HB CYS 37 -8.380 -9.414 0.974
276 2HB CYS 37 1HB CYS 37 -7.475 -9.930 -0.445
277 H GLU 38 H GLU 38 -6.930 -5.837 -0.630
278 HA GLU 38 HA GLU 38 -7.072 -3.776 0.418
279 1HB GLU 38 2HB GLU 38 -9.753 -4.517 1.569
280 2HB GLU 38 1HB GLU 38 -9.150 -2.927 1.109
281 1HG GLU 38 2HG GLU 38 -9.002 -4.049 -1.300
282 2HG GLU 38 1HG GLU 38 -10.239 -5.111 -0.629
283 H LYS 39 H LYS 39 -5.643 -5.728 1.681
284 HA LYS 39 HA LYS 39 -6.423 -5.532 4.552
285 1HB LYS 39 2HB LYS 39 -4.754 -7.427 2.963
286 2HB LYS 39 1HB LYS 39 -4.269 -7.132 4.631
287 1HG LYS 39 2HG LYS 39 -6.924 -7.499 5.016
288 2HG LYS 39 1HG LYS 39 -6.702 -8.492 3.579
289 1HD LYS 39 2HD LYS 39 -4.691 -9.517 4.821
290 2HD LYS 39 1HD LYS 39 -5.359 -8.754 6.265
291 1HE LYS 39 2HE LYS 39 -6.798 -10.730 4.469
292 2HE LYS 39 1HE LYS 39 -6.176 -11.061 6.085
293 1HZ LYS 39 1HZ LYS 39 -8.347 -10.557 6.532
294 2HZ LYS 39 2HZ LYS 39 -8.471 -9.419 5.275
295 3HZ LYS 39 3HZ LYS 39 -7.641 -9.024 6.704
296 HA PRO 40 HA PRO 40 -3.435 -2.177 4.326
297 1HB PRO 40 2HB PRO 40 -3.919 -1.483 7.008
298 2HB PRO 40 1HB PRO 40 -4.623 -0.716 5.603
299 1HG PRO 40 2HG PRO 40 -5.889 -2.450 7.538
300 2HG PRO 40 1HG PRO 40 -6.645 -1.585 6.204
301 1HD PRO 40 2HD PRO 40 -6.101 -4.406 6.401
302 2HD PRO 40 1HD PRO 40 -6.836 -3.548 5.036
303 H PHE 41 H PHE 41 -1.345 -2.095 4.852
304 HA PHE 41 HA PHE 41 -0.289 -4.142 6.748
305 1HB PHE 41 2HB PHE 41 1.516 -2.344 5.175
306 2HB PHE 41 1HB PHE 41 1.734 -4.033 5.624
307 HD1 PHE 41 1HD PHE 41 -0.153 -1.753 3.374
308 HD2 PHE 41 2HD PHE 41 1.020 -5.794 4.213
309 HE1 PHE 41 1HE PHE 41 -1.013 -2.463 1.155
310 HE2 PHE 41 2HE PHE 41 0.161 -6.503 2.008
311 HZ PHE 41 HZ PHE 41 -0.855 -4.848 0.473
312 H LEU 42 H LEU 42 -1.501 -2.358 8.252
313 HA LEU 42 HA LEU 42 -0.519 0.109 8.935
314 1HB LEU 42 2HB LEU 42 -1.443 -2.203 10.603
315 2HB LEU 42 1HB LEU 42 -0.752 -0.806 11.424
316 HG LEU 42 HG LEU 42 -2.375 0.671 10.283
317 1HD1 LEU 42 1HD1 LEU 42 -3.202 -1.928 9.012
318 2HD1 LEU 42 2HD1 LEU 42 -2.668 -0.442 8.220
319 3HD1 LEU 42 3HD1 LEU 42 -4.240 -0.500 9.023
320 1HD2 LEU 42 1HD2 LEU 42 -3.211 -0.090 12.371
321 2HD2 LEU 42 2HD2 LEU 42 -3.448 -1.731 11.768
322 3HD2 LEU 42 3HD2 LEU 42 -4.517 -0.434 11.235
323 H GLY 43 H GLY 43 0.880 -2.928 10.174
324 1HA GLY 43 2HA GLY 43 3.543 -1.574 10.246
325 2HA GLY 43 1HA GLY 43 2.971 -2.467 11.653
326 H HIS 44 H HIS 44 2.303 -3.489 8.367
327 HA HIS 44 HA HIS 44 4.097 -5.851 8.831
328 1HB HIS 44 2HB HIS 44 1.818 -5.955 6.890
329 2HB HIS 44 1HB HIS 44 2.525 -7.248 7.856
330 HD1 HIS 44 1HD HIS 44 2.367 -5.434 10.555
331 HD2 HIS 44 2HD HIS 44 -0.769 -6.431 7.999
332 HE1 HIS 44 1HE HIS 44 0.241 -5.230 11.918
333 H ARG 45 H ARG 45 4.001 -6.888 6.256
334 HA ARG 45 HA ARG 45 5.515 -4.808 4.719
335 1HB ARG 45 2HB ARG 45 6.990 -6.609 5.203
336 2HB ARG 45 1HB ARG 45 5.750 -7.819 4.874
337 1HG ARG 45 2HG ARG 45 5.870 -7.477 2.537
338 2HG ARG 45 1HG ARG 45 6.708 -5.936 2.717
339 1HD ARG 45 2HD ARG 45 7.898 -8.579 3.593
340 2HD ARG 45 1HD ARG 45 8.184 -7.871 2.003
341 HE ARG 45 HE ARG 45 8.842 -5.833 3.759
342 1HH1 ARG 45 1HH2 ARG 45 9.690 -9.149 3.344
343 2HH1 ARG 45 2HH2 ARG 45 11.293 -8.955 3.970
344 1HH2 ARG 45 1HH1 ARG 45 10.930 -5.561 4.580
345 2HH2 ARG 45 2HH1 ARG 45 11.996 -6.923 4.670
346 H HIS 46 H HIS 46 5.022 -4.536 2.501
347 HA HIS 46 HA HIS 46 2.531 -5.928 1.584
348 1HB HIS 46 2HB HIS 46 2.274 -3.856 0.098
349 2HB HIS 46 1HB HIS 46 1.953 -3.645 1.812
350 HD1 HIS 46 1HD HIS 46 3.688 -2.286 3.205
351 HD2 HIS 46 2HD HIS 46 4.643 -2.591 -0.844
352 HE1 HIS 46 1HE HIS 46 5.560 -0.632 2.784
353 H TYR 47 H TYR 47 2.370 -5.976 -0.830
354 HA TYR 47 HA TYR 47 5.041 -6.328 -2.121
355 1HB TYR 47 2HB TYR 47 2.682 -8.179 -2.478
356 2HB TYR 47 1HB TYR 47 4.338 -8.447 -2.986
357 HD1 TYR 47 1HD TYR 47 5.800 -9.632 -1.559
358 HD2 TYR 47 2HD TYR 47 2.322 -7.733 0.099
359 HE1 TYR 47 1HE TYR 47 6.338 -10.558 0.679
360 HE2 TYR 47 2HE TYR 47 2.874 -8.658 2.323
361 HH TYR 47 HH TYR 47 5.670 -9.643 3.253
362 H GLU 48 H GLU 48 5.131 -5.497 -4.198
363 HA GLU 48 HA GLU 48 2.627 -4.219 -5.214
364 1HB GLU 48 2HB GLU 48 5.550 -3.572 -5.474
365 2HB GLU 48 1HB GLU 48 4.395 -2.941 -6.649
366 1HG GLU 48 2HG GLU 48 3.149 -1.809 -4.943
367 2HG GLU 48 1HG GLU 48 4.041 -2.626 -3.660
368 H ARG 49 H ARG 49 2.045 -4.372 -7.383
369 HA ARG 49 HA ARG 49 3.596 -6.183 -9.143
370 1HB ARG 49 2HB ARG 49 2.021 -7.658 -7.940
371 2HB ARG 49 1HB ARG 49 0.681 -6.663 -8.488
372 1HG ARG 49 2HG ARG 49 2.181 -7.278 -10.816
373 2HG ARG 49 1HG ARG 49 2.067 -8.783 -9.909
374 1HD ARG 49 2HD ARG 49 -0.171 -8.976 -10.291
375 2HD ARG 49 1HD ARG 49 -0.470 -7.257 -10.077
376 HE ARG 49 HE ARG 49 0.902 -7.435 -12.495
377 1HH1 ARG 49 1HH2 ARG 49 -1.940 -8.770 -11.078
378 2HH1 ARG 49 2HH2 ARG 49 -2.770 -8.952 -12.587
379 1HH2 ARG 49 1HH1 ARG 49 -0.161 -7.669 -14.475
380 2HH2 ARG 49 2HH1 ARG 49 -1.762 -8.328 -14.511
381 H LYS 50 H LYS 50 3.512 -5.498 -11.206
382 HA LYS 50 HA LYS 50 3.163 -3.975 -12.939
383 1HB LYS 50 2HB LYS 50 0.927 -4.121 -13.893
384 2HB LYS 50 1HB LYS 50 1.408 -5.710 -13.304
385 1HG LYS 50 2HG LYS 50 0.034 -5.518 -11.367
386 2HG LYS 50 1HG LYS 50 -0.225 -3.795 -11.621
387 1HD LYS 50 2HD LYS 50 -1.059 -5.687 -13.789
388 2HD LYS 50 1HD LYS 50 -2.067 -5.569 -12.348
389 1HE LYS 50 2HE LYS 50 -2.215 -3.120 -12.654
390 2HE LYS 50 1HE LYS 50 -1.218 -3.245 -14.104
391 1HZ LYS 50 1HZ LYS 50 -3.945 -4.295 -13.658
392 2HZ LYS 50 2HZ LYS 50 -2.960 -4.873 -14.916
393 3HZ LYS 50 3HZ LYS 50 -3.409 -3.235 -14.869
394 H GLY 51 H GLY 51 3.031 -2.937 -10.129
395 1HA GLY 51 2HA GLY 51 2.973 -0.624 -9.518
396 2HA GLY 51 1HA GLY 51 1.941 -0.314 -10.907
397 H LEU 52 H LEU 52 1.336 -2.892 -8.634
398 HA LEU 52 HA LEU 52 -0.780 -1.307 -7.301
399 1HB LEU 52 2HB LEU 52 -1.220 -3.755 -8.987
400 2HB LEU 52 1HB LEU 52 -2.273 -3.449 -7.609
401 HG LEU 52 HG LEU 52 -1.758 -1.527 -9.898
402 1HD1 LEU 52 1HD1 LEU 52 -3.918 -2.115 -10.702
403 2HD1 LEU 52 2HD1 LEU 52 -4.322 -2.971 -9.213
404 3HD1 LEU 52 3HD1 LEU 52 -3.137 -3.652 -10.327
405 1HD2 LEU 52 1HD2 LEU 52 -2.389 -0.039 -8.271
406 2HD2 LEU 52 2HD2 LEU 52 -3.088 -1.297 -7.247
407 3HD2 LEU 52 3HD2 LEU 52 -4.007 -0.653 -8.610
408 H ALA 53 H ALA 53 -1.108 -1.939 -5.193
409 HA ALA 53 HA ALA 53 0.946 -3.623 -4.039
410 1HB ALA 53 1HB ALA 53 0.194 -1.773 -2.715
411 2HB ALA 53 2HB ALA 53 -0.378 -3.235 -1.901
412 3HB ALA 53 3HB ALA 53 -1.492 -2.271 -2.878
413 H TYR 54 H TYR 54 0.646 -5.561 -2.875
414 HA TYR 54 HA TYR 54 -1.939 -6.927 -3.004
415 1HB TYR 54 2HB TYR 54 0.476 -7.819 -4.573
416 2HB TYR 54 1HB TYR 54 -0.757 -8.957 -4.052
417 HD1 TYR 54 1HD TYR 54 0.103 -6.306 -6.344
418 HD2 TYR 54 2HD TYR 54 -3.127 -8.654 -4.785
419 HE1 TYR 54 1HE TYR 54 -1.299 -5.621 -8.234
420 HE2 TYR 54 2HE TYR 54 -4.553 -7.941 -6.712
421 HH TYR 54 HH TYR 54 -4.417 -7.051 -8.861
422 H CYS 55 H CYS 55 -2.084 -8.408 -1.289
423 HA CYS 55 HA CYS 55 -0.205 -8.214 0.808
424 1HB CYS 55 2HB CYS 55 -2.146 -10.449 0.128
425 2HB CYS 55 1HB CYS 55 -1.206 -10.412 1.617
426 H GLU 56 H GLU 56 0.902 -10.439 1.608
427 HA GLU 56 HA GLU 56 3.022 -11.044 -0.233
428 1HB GLU 56 2HB GLU 56 3.114 -11.284 2.297
429 2HB GLU 56 1HB GLU 56 2.141 -12.736 2.123
430 1HG GLU 56 2HG GLU 56 4.699 -12.395 0.563
431 2HG GLU 56 1HG GLU 56 4.714 -13.018 2.212
432 H THR 57 H THR 57 0.034 -12.710 0.651
433 HA THR 57 HA THR 57 0.633 -14.991 -1.090
434 HB THR 57 HB THR 57 -1.774 -14.273 0.592
435 HG1 THR 57 1HG THR 57 -0.779 -16.452 1.426
436 1HG2 THR 57 1HG2 THR 57 -2.657 -15.578 -1.184
437 2HG2 THR 57 2HG2 THR 57 -2.370 -16.727 0.123
438 3HG2 THR 57 3HG2 THR 57 -1.238 -16.624 -1.225
439 H HIS 58 H HIS 58 -1.579 -12.204 -1.158
440 HA HIS 58 HA HIS 58 -2.908 -13.106 -3.536
441 1HB HIS 58 2HB HIS 58 -2.650 -10.344 -2.336
442 2HB HIS 58 1HB HIS 58 -3.711 -10.753 -3.680
443 HD2 HIS 58 2HD HIS 58 -4.810 -13.655 -2.458
444 HE1 HIS 58 1HE HIS 58 -6.212 -11.341 0.779
445 HE2 HIS 58 2HE HIS 58 -6.401 -13.579 -0.399
446 H TYR 59 H TYR 59 -0.188 -10.915 -2.914
447 HA TYR 59 HA TYR 59 0.311 -10.137 -5.572
448 1HB TYR 59 2HB TYR 59 1.603 -9.200 -3.743
449 2HB TYR 59 1HB TYR 59 2.194 -10.781 -3.280
450 HD1 TYR 59 1HD TYR 59 1.819 -9.451 -6.729
451 HD2 TYR 59 2HD TYR 59 4.541 -10.560 -3.601
452 HE1 TYR 59 1HE TYR 59 3.695 -9.232 -8.285
453 HE2 TYR 59 2HE TYR 59 6.439 -10.318 -5.173
454 HH TYR 59 HH TYR 59 6.721 -8.823 -7.503
455 H ASN 60 H ASN 60 1.713 -12.762 -3.690
456 HA ASN 60 HA ASN 60 2.985 -14.012 -5.876
457 1HB ASN 60 2HB ASN 60 2.127 -15.004 -3.167
458 2HB ASN 60 1HB ASN 60 2.873 -16.090 -4.337
459 1HD2 ASN 60 1HD2 ASN 60 3.470 -13.332 -2.218
460 2HD2 ASN 60 2HD2 ASN 60 5.155 -13.304 -2.427
461 H GLN 61 H GLN 61 -0.218 -14.580 -4.410
462 HA GLN 61 HA GLN 61 -0.929 -16.799 -6.068
463 1HB GLN 61 2HB GLN 61 -2.555 -14.597 -4.808
464 2HB GLN 61 1HB GLN 61 -3.321 -15.781 -5.856
465 1HG GLN 61 2HG GLN 61 -1.567 -16.633 -3.553
466 2HG GLN 61 1HG GLN 61 -3.282 -16.293 -3.323
467 1HE2 GLN 61 1HE2 GLN 61 -0.985 -18.539 -4.785
468 2HE2 GLN 61 2HE2 GLN 61 -2.132 -19.704 -5.237
469 H LEU 62 H LEU 62 -0.922 -13.350 -6.545
470 HA LEU 62 HA LEU 62 -2.048 -13.427 -9.223
471 1HB LEU 62 2HB LEU 62 -0.818 -11.379 -7.431
472 2HB LEU 62 1HB LEU 62 -0.774 -11.048 -9.157
473 HG LEU 62 HG LEU 62 -3.321 -11.682 -9.069
474 1HD1 LEU 62 1HD1 LEU 62 -2.860 -10.765 -6.225
475 2HD1 LEU 62 2HD1 LEU 62 -3.184 -12.443 -6.676
476 3HD1 LEU 62 3HD1 LEU 62 -4.401 -11.199 -6.961
477 1HD2 LEU 62 1HD2 LEU 62 -2.134 -9.130 -7.982
478 2HD2 LEU 62 2HD2 LEU 62 -3.833 -9.302 -8.428
479 3HD2 LEU 62 3HD2 LEU 62 -2.578 -9.472 -9.654
480 H PHE 63 H PHE 63 1.198 -13.355 -7.833
481 HA PHE 63 HA PHE 63 2.301 -14.417 -10.341
482 1HB PHE 63 2HB PHE 63 2.761 -11.611 -9.405
483 2HB PHE 63 1HB PHE 63 4.109 -12.473 -10.143
484 HD1 PHE 63 1HD PHE 63 0.783 -11.041 -10.671
485 HD2 PHE 63 2HD PHE 63 4.010 -13.210 -12.487
486 HE1 PHE 63 1HE PHE 63 -0.188 -10.609 -12.916
487 HE2 PHE 63 2HE PHE 63 3.045 -12.776 -14.730
488 HZ PHE 63 HZ PHE 63 0.944 -11.474 -14.944
489 H GLY 64 H GLY 64 4.018 -12.566 -7.906
490 1HA GLY 64 2HA GLY 64 5.245 -13.400 -6.009
491 2HA GLY 64 1HA GLY 64 4.965 -15.044 -6.583
492 H ASP 65 H ASP 65 5.774 -13.628 -9.319
493 HA ASP 65 HA ASP 65 7.724 -13.747 -10.632
494 1HB ASP 65 2HB ASP 65 8.878 -12.570 -8.084
495 2HB ASP 65 1HB ASP 65 9.663 -12.548 -9.663
496 H VAL 66 H VAL 66 7.466 -16.194 -10.276
497 HA VAL 66 HA VAL 66 9.324 -17.437 -8.389
498 HB VAL 66 HB VAL 66 8.584 -19.548 -9.396
499 1HG1 VAL 66 1HG1 VAL 66 6.209 -19.372 -8.877
500 2HG1 VAL 66 2HG1 VAL 66 6.257 -17.623 -9.099
501 3HG1 VAL 66 3HG1 VAL 66 7.116 -18.365 -7.748
502 1HG2 VAL 66 1HG2 VAL 66 7.363 -17.684 -11.446
503 2HG2 VAL 66 2HG2 VAL 66 6.826 -19.352 -11.250
504 3HG2 VAL 66 3HG2 VAL 66 8.489 -19.013 -11.725
Start of MODEL 8
1 1H GLY 1 1HT GLY 1 11.676 27.711 2.577
2 2H GLY 1 2HT GLY 1 12.697 26.432 2.122
3 3H GLY 1 3HT GLY 1 12.844 27.132 3.662
4 1HA GLY 1 2HA GLY 1 11.524 24.880 3.230
5 2HA GLY 1 1HA GLY 1 11.102 26.010 4.518
6 H SER 2 H SER 2 9.211 24.286 3.235
7 HA SER 2 HA SER 2 7.207 26.260 2.504
8 1HB SER 2 2HB SER 2 8.085 24.302 0.362
9 2HB SER 2 1HB SER 2 6.792 25.491 0.228
10 HG SER 2 HG SER 2 8.358 27.117 0.480
11 H MET 3 H MET 3 5.318 25.455 3.281
12 HA MET 3 HA MET 3 5.043 22.947 4.510
13 1HB MET 3 2HB MET 3 3.460 25.113 4.374
14 2HB MET 3 1HB MET 3 2.619 24.106 3.196
15 1HG MET 3 2HG MET 3 3.181 23.481 6.102
16 2HG MET 3 1HG MET 3 1.612 23.622 5.311
17 1HE MET 3 1HE MET 3 2.980 19.851 6.469
18 2HE MET 3 2HE MET 3 2.035 21.207 7.079
19 3HE MET 3 3HE MET 3 3.781 21.364 6.912
20 H GLY 4 H GLY 4 4.773 20.901 3.723
21 1HA GLY 4 2HA GLY 4 3.677 20.532 0.988
22 2HA GLY 4 1HA GLY 4 5.280 19.877 1.321
23 H VAL 5 H VAL 5 1.866 19.649 2.213
24 HA VAL 5 HA VAL 5 2.329 17.281 3.885
25 HB VAL 5 HB VAL 5 -0.030 18.947 3.103
26 1HG1 VAL 5 1HG1 VAL 5 -1.428 17.093 4.288
27 2HG1 VAL 5 2HG1 VAL 5 -0.126 16.020 3.812
28 3HG1 VAL 5 3HG1 VAL 5 -1.039 16.890 2.578
29 1HG2 VAL 5 1HG2 VAL 5 1.047 19.439 5.209
30 2HG2 VAL 5 2HG2 VAL 5 1.008 17.738 5.681
31 3HG2 VAL 5 3HG2 VAL 5 -0.497 18.656 5.561
32 HA PRO 6 HA PRO 6 1.978 14.517 0.423
33 1HB PRO 6 2HB PRO 6 1.569 12.265 2.110
34 2HB PRO 6 1HB PRO 6 3.107 12.806 1.435
35 1HG PRO 6 2HG PRO 6 2.243 12.945 4.190
36 2HG PRO 6 1HG PRO 6 3.806 13.396 3.505
37 1HD PRO 6 2HD PRO 6 1.688 15.135 4.419
38 2HD PRO 6 1HD PRO 6 3.277 15.574 3.793
39 H ILE 7 H ILE 7 0.311 13.011 -0.367
40 HA ILE 7 HA ILE 7 -2.278 13.325 1.061
41 HB ILE 7 HB ILE 7 -1.655 14.053 -1.797
42 1HG1 ILE 7 2HG1 ILE 7 -3.255 15.363 0.404
43 2HG1 ILE 7 1HG1 ILE 7 -1.562 15.703 0.108
44 1HG2 ILE 7 1HG2 ILE 7 -4.218 14.255 -1.948
45 2HG2 ILE 7 2HG2 ILE 7 -4.265 13.196 -0.539
46 3HG2 ILE 7 3HG2 ILE 7 -3.547 12.628 -2.046
47 1HD1 ILE 7 1HD1 ILE 7 -3.614 15.987 -2.078
48 2HD1 ILE 7 2HD1 ILE 7 -2.020 16.736 -1.955
49 3HD1 ILE 7 3HD1 ILE 7 -3.336 17.284 -0.912
50 H CYS 8 H CYS 8 -3.102 11.433 1.412
51 HA CYS 8 HA CYS 8 -2.032 9.013 0.494
52 1HB CYS 8 2HB CYS 8 -3.333 9.014 2.488
53 2HB CYS 8 1HB CYS 8 -4.724 9.696 1.658
54 H GLY 9 H GLY 9 -2.028 8.248 -1.500
55 1HA GLY 9 2HA GLY 9 -3.665 9.221 -3.617
56 2HA GLY 9 1HA GLY 9 -2.704 7.746 -3.686
57 H ALA 10 H ALA 10 -4.575 7.425 -1.011
58 HA ALA 10 HA ALA 10 -6.433 5.632 -2.431
59 1HB ALA 10 1HB ALA 10 -6.633 6.061 0.516
60 2HB ALA 10 2HB ALA 10 -5.155 5.319 -0.088
61 3HB ALA 10 3HB ALA 10 -6.713 4.561 -0.407
62 H CYS 11 H CYS 11 -6.796 8.176 0.043
63 HA CYS 11 HA CYS 11 -9.552 8.670 -0.990
64 1HB CYS 11 2HB CYS 11 -9.666 10.074 1.182
65 2HB CYS 11 1HB CYS 11 -9.627 8.319 1.350
66 H ARG 12 H ARG 12 -6.470 9.806 -1.444
67 HA ARG 12 HA ARG 12 -5.622 11.805 -2.304
68 1HB ARG 12 2HB ARG 12 -8.487 12.602 -2.854
69 2HB ARG 12 1HB ARG 12 -7.041 13.043 -3.757
70 1HG ARG 12 2HG ARG 12 -8.372 10.329 -3.617
71 2HG ARG 12 1HG ARG 12 -8.171 11.345 -5.037
72 1HD ARG 12 2HD ARG 12 -6.047 9.842 -3.510
73 2HD ARG 12 1HD ARG 12 -6.485 9.656 -5.203
74 HE ARG 12 HE ARG 12 -4.503 11.426 -4.196
75 1HH1 ARG 12 1HH2 ARG 12 -7.259 11.509 -6.278
76 2HH1 ARG 12 2HH2 ARG 12 -6.748 12.946 -7.097
77 1HH2 ARG 12 1HH1 ARG 12 -3.830 13.279 -5.264
78 2HH2 ARG 12 2HH1 ARG 12 -4.810 13.943 -6.528
79 H ARG 13 H ARG 13 -6.035 11.690 0.457
80 HA ARG 13 HA ARG 13 -6.970 14.460 1.081
81 1HB ARG 13 2HB ARG 13 -7.163 11.880 2.619
82 2HB ARG 13 1HB ARG 13 -7.146 13.417 3.482
83 1HG ARG 13 2HG ARG 13 -9.040 14.173 1.998
84 2HG ARG 13 1HG ARG 13 -9.126 12.529 1.368
85 1HD ARG 13 2HD ARG 13 -9.318 13.188 4.316
86 2HD ARG 13 1HD ARG 13 -10.727 13.023 3.270
87 HE ARG 13 HE ARG 13 -9.317 10.676 2.851
88 1HH1 ARG 13 1HH2 ARG 13 -10.519 12.423 5.569
89 2HH1 ARG 13 2HH2 ARG 13 -10.784 11.007 6.530
90 1HH2 ARG 13 1HH1 ARG 13 -9.658 8.816 4.090
91 2HH2 ARG 13 2HH1 ARG 13 -10.297 8.965 5.693
92 HA PRO 14 HA PRO 14 -2.811 15.419 2.148
93 1HB PRO 14 2HB PRO 14 -3.664 16.936 4.478
94 2HB PRO 14 1HB PRO 14 -3.017 17.539 2.949
95 1HG PRO 14 2HG PRO 14 -5.708 17.706 3.831
96 2HG PRO 14 1HG PRO 14 -5.071 18.141 2.237
97 1HD PRO 14 2HD PRO 14 -6.743 15.873 2.923
98 2HD PRO 14 1HD PRO 14 -6.145 16.359 1.323
99 H ILE 15 H ILE 15 -1.663 13.722 2.995
100 HA ILE 15 HA ILE 15 -2.549 12.293 5.367
101 HB ILE 15 HB ILE 15 0.139 12.262 3.950
102 1HG1 ILE 15 2HG1 ILE 15 -1.930 10.097 3.821
103 2HG1 ILE 15 1HG1 ILE 15 -2.120 11.525 2.806
104 1HG2 ILE 15 1HG2 ILE 15 0.584 11.332 6.061
105 2HG2 ILE 15 2HG2 ILE 15 0.127 9.914 5.113
106 3HG2 ILE 15 3HG2 ILE 15 -1.037 10.658 6.208
107 1HD1 ILE 15 1HD1 ILE 15 -0.700 9.374 2.015
108 2HD1 ILE 15 2HD1 ILE 15 0.582 10.272 2.834
109 3HD1 ILE 15 3HD1 ILE 15 -0.300 11.012 1.502
110 H GLU 16 H GLU 16 -1.299 12.237 7.444
111 HA GLU 16 HA GLU 16 0.569 14.440 7.941
112 1HB GLU 16 2HB GLU 16 -0.902 15.488 9.711
113 2HB GLU 16 1HB GLU 16 -1.439 15.752 8.052
114 1HG GLU 16 2HG GLU 16 -2.473 13.405 9.635
115 2HG GLU 16 1HG GLU 16 -3.198 15.001 9.821
116 H GLY 17 H GLY 17 1.340 12.030 8.364
117 1HA GLY 17 2HA GLY 17 1.849 11.809 11.173
118 2HA GLY 17 1HA GLY 17 0.644 10.609 10.697
119 H ARG 18 H ARG 18 1.306 8.829 9.613
120 HA ARG 18 HA ARG 18 4.192 8.693 8.829
121 1HB ARG 18 2HB ARG 18 2.294 6.555 9.824
122 2HB ARG 18 1HB ARG 18 3.837 6.184 9.049
123 1HG ARG 18 2HG ARG 18 4.914 7.734 10.768
124 2HG ARG 18 1HG ARG 18 3.372 7.689 11.622
125 1HD ARG 18 2HD ARG 18 3.839 5.016 11.104
126 2HD ARG 18 1HD ARG 18 5.462 5.623 11.416
127 HE ARG 18 HE ARG 18 3.621 5.041 13.429
128 1HH1 ARG 18 1HH2 ARG 18 5.342 7.832 12.339
129 2HH1 ARG 18 2HH2 ARG 18 5.288 8.620 13.878
130 1HH2 ARG 18 1HH1 ARG 18 3.558 6.055 15.435
131 2HH2 ARG 18 2HH1 ARG 18 4.285 7.616 15.629
132 H VAL 19 H VAL 19 4.432 8.704 6.686
133 HA VAL 19 HA VAL 19 2.078 8.099 4.978
134 HB VAL 19 HB VAL 19 4.741 9.342 4.241
135 1HG1 VAL 19 1HG1 VAL 19 2.925 10.256 2.441
136 2HG1 VAL 19 2HG1 VAL 19 2.260 8.655 2.751
137 3HG1 VAL 19 3HG1 VAL 19 3.916 8.821 2.164
138 1HG2 VAL 19 1HG2 VAL 19 2.168 10.861 4.496
139 2HG2 VAL 19 2HG2 VAL 19 3.825 11.446 4.636
140 3HG2 VAL 19 3HG2 VAL 19 3.103 10.524 5.952
141 H VAL 20 H VAL 20 2.355 6.855 3.018
142 HA VAL 20 HA VAL 20 4.579 4.860 3.161
143 HB VAL 20 HB VAL 20 1.639 4.466 2.631
144 1HG1 VAL 20 1HG1 VAL 20 3.973 2.984 1.451
145 2HG1 VAL 20 2HG1 VAL 20 2.418 3.377 0.717
146 3HG1 VAL 20 3HG1 VAL 20 2.528 2.078 1.904
147 1HG2 VAL 20 1HG2 VAL 20 1.862 2.724 4.243
148 2HG2 VAL 20 2HG2 VAL 20 2.795 4.076 4.881
149 3HG2 VAL 20 3HG2 VAL 20 3.620 2.725 4.109
150 H ASN 21 H ASN 21 5.879 5.258 1.439
151 HA ASN 21 HA ASN 21 4.760 6.675 -0.890
152 1HB ASN 21 2HB ASN 21 7.563 5.851 -0.145
153 2HB ASN 21 1HB ASN 21 7.164 6.674 -1.649
154 1HD2 ASN 21 1HD2 ASN 21 5.472 7.355 1.393
155 2HD2 ASN 21 2HD2 ASN 21 6.086 8.927 1.584
156 H ALA 22 H ALA 22 3.673 5.348 -2.245
157 HA ALA 22 HA ALA 22 5.156 3.055 -3.409
158 1HB ALA 22 1HB ALA 22 2.283 2.806 -2.485
159 2HB ALA 22 2HB ALA 22 3.651 2.225 -1.535
160 3HB ALA 22 3HB ALA 22 3.318 1.527 -3.120
161 H MET 23 H MET 23 4.152 2.401 -5.510
162 HA MET 23 HA MET 23 3.265 3.003 -7.601
163 1HB MET 23 2HB MET 23 1.321 4.729 -6.059
164 2HB MET 23 1HB MET 23 1.066 3.932 -7.609
165 1HG MET 23 2HG MET 23 1.536 2.429 -5.018
166 2HG MET 23 1HG MET 23 -0.062 2.790 -5.662
167 1HE MET 23 1HE MET 23 1.977 0.190 -5.024
168 2HE MET 23 2HE MET 23 1.474 -1.033 -6.191
169 3HE MET 23 3HE MET 23 0.260 -0.184 -5.233
170 H GLY 24 H GLY 24 5.082 4.747 -5.866
171 1HA GLY 24 2HA GLY 24 6.334 6.709 -6.285
172 2HA GLY 24 1HA GLY 24 5.450 6.864 -7.806
173 H LYS 25 H LYS 25 3.609 6.418 -4.970
174 HA LYS 25 HA LYS 25 2.874 9.325 -4.903
175 1HB LYS 25 2HB LYS 25 1.099 6.884 -4.579
176 2HB LYS 25 1HB LYS 25 0.569 8.548 -4.366
177 1HG LYS 25 2HG LYS 25 1.864 8.490 -6.879
178 2HG LYS 25 1HG LYS 25 0.872 7.032 -6.824
179 1HD LYS 25 2HD LYS 25 -1.026 8.564 -5.987
180 2HD LYS 25 1HD LYS 25 -0.015 9.905 -6.523
181 1HE LYS 25 2HE LYS 25 0.134 8.504 -8.757
182 2HE LYS 25 1HE LYS 25 -1.350 7.768 -8.152
183 1HZ LYS 25 1HZ LYS 25 -2.365 9.916 -8.000
184 2HZ LYS 25 2HZ LYS 25 -1.737 9.729 -9.567
185 3HZ LYS 25 3HZ LYS 25 -0.920 10.692 -8.431
186 H GLN 26 H GLN 26 1.039 8.891 -2.767
187 HA GLN 26 HA GLN 26 2.749 8.014 -0.489
188 1HB GLN 26 2HB GLN 26 1.341 10.656 -0.926
189 2HB GLN 26 1HB GLN 26 1.702 10.083 0.696
190 1HG GLN 26 2HG GLN 26 3.965 10.422 0.461
191 2HG GLN 26 1HG GLN 26 3.963 9.916 -1.223
192 1HE2 GLN 26 1HE2 GLN 26 1.532 12.233 -0.857
193 2HE2 GLN 26 2HE2 GLN 26 2.413 13.602 -1.328
194 H TRP 27 H TRP 27 1.429 6.997 1.157
195 HA TRP 27 HA TRP 27 -1.519 7.040 0.657
196 1HB TRP 27 2HB TRP 27 0.138 4.531 1.016
197 2HB TRP 27 1HB TRP 27 -1.603 4.603 0.769
198 HD1 TRP 27 HD TRP 27 1.712 5.249 -1.054
199 HE1 TRP 27 1HE TRP 27 1.264 5.243 -3.596
200 HE3 TRP 27 3HE TRP 27 -3.356 4.876 -1.037
201 HZ2 TRP 27 2HZ TRP 27 -0.970 5.102 -5.381
202 HZ3 TRP 27 3HZ TRP 27 -4.630 4.807 -3.151
203 HH2 TRP 27 HH TRP 27 -3.447 4.919 -5.328
204 H HIS 28 H HIS 28 -2.746 6.954 2.555
205 HA HIS 28 HA HIS 28 -1.503 7.458 5.078
206 1HB HIS 28 2HB HIS 28 -4.219 6.372 4.317
207 2HB HIS 28 1HB HIS 28 -3.732 6.437 6.008
208 HD2 HIS 28 2HD HIS 28 -2.749 9.280 6.625
209 HE1 HIS 28 1HE HIS 28 -5.680 10.870 4.033
210 HE2 HIS 28 2HE HIS 28 -4.050 11.427 5.899
211 H VAL 29 H VAL 29 -0.486 6.025 6.466
212 HA VAL 29 HA VAL 29 0.239 3.423 5.695
213 HB VAL 29 HB VAL 29 0.004 4.787 8.375
214 1HG1 VAL 29 1HG1 VAL 29 0.707 1.910 7.788
215 2HG1 VAL 29 2HG1 VAL 29 -0.429 2.537 8.982
216 3HG1 VAL 29 3HG1 VAL 29 1.307 2.739 9.225
217 1HG2 VAL 29 1HG2 VAL 29 2.356 4.901 8.235
218 2HG2 VAL 29 2HG2 VAL 29 1.818 5.236 6.589
219 3HG2 VAL 29 3HG2 VAL 29 2.436 3.636 7.014
220 H GLU 30 H GLU 30 -2.735 4.649 6.743
221 HA GLU 30 HA GLU 30 -3.754 2.037 7.653
222 1HB GLU 30 2HB GLU 30 -4.562 3.698 9.068
223 2HB GLU 30 1HB GLU 30 -4.727 4.870 7.763
224 1HG GLU 30 2HG GLU 30 -6.738 3.935 7.000
225 2HG GLU 30 1HG GLU 30 -6.424 2.388 7.781
226 H HIS 31 H HIS 31 -3.964 4.192 4.867
227 HA HIS 31 HA HIS 31 -6.148 2.512 3.732
228 1HB HIS 31 2HB HIS 31 -4.935 5.112 2.748
229 2HB HIS 31 1HB HIS 31 -6.230 4.239 1.937
230 HD2 HIS 31 2HD HIS 31 -7.836 3.508 4.863
231 HE1 HIS 31 1HE HIS 31 -8.294 7.698 5.030
232 HE2 HIS 31 2HE HIS 31 -9.137 5.490 5.947
233 H PHE 32 H PHE 32 -2.782 2.543 3.686
234 HA PHE 32 HA PHE 32 -2.556 1.731 0.875
235 1HB PHE 32 2HB PHE 32 -0.652 2.820 2.241
236 2HB PHE 32 1HB PHE 32 -0.458 1.238 3.000
237 HD1 PHE 32 1HD PHE 32 1.133 -0.167 2.019
238 HD2 PHE 32 2HD PHE 32 -1.025 2.599 -0.463
239 HE1 PHE 32 1HE PHE 32 2.357 -0.986 0.024
240 HE2 PHE 32 2HE PHE 32 0.196 1.774 -2.446
241 HZ PHE 32 HZ PHE 32 1.890 -0.020 -2.205
242 H VAL 33 H VAL 33 -3.583 -0.123 0.424
243 HA VAL 33 HA VAL 33 -3.060 -2.481 2.181
244 HB VAL 33 HB VAL 33 -5.386 -3.164 1.848
245 1HG1 VAL 33 1HG1 VAL 33 -6.293 -0.686 2.782
246 2HG1 VAL 33 2HG1 VAL 33 -4.598 -0.728 3.256
247 3HG1 VAL 33 3HG1 VAL 33 -5.691 -2.018 3.766
248 1HG2 VAL 33 1HG2 VAL 33 -5.802 -2.222 -0.340
249 2HG2 VAL 33 2HG2 VAL 33 -5.539 -0.586 0.265
250 3HG2 VAL 33 3HG2 VAL 33 -6.956 -1.498 0.781
251 H CYS 34 H CYS 34 -3.841 -4.502 1.047
252 HA CYS 34 HA CYS 34 -2.398 -4.921 -1.370
253 1HB CYS 34 2HB CYS 34 -2.822 -6.828 -0.097
254 2HB CYS 34 1HB CYS 34 -4.511 -6.428 0.145
255 H ALA 35 H ALA 35 -3.149 -5.112 -3.528
256 HA ALA 35 HA ALA 35 -5.582 -3.526 -4.101
257 1HB ALA 35 1HB ALA 35 -3.716 -4.727 -6.137
258 2HB ALA 35 2HB ALA 35 -3.269 -3.273 -5.244
259 3HB ALA 35 3HB ALA 35 -4.703 -3.273 -6.275
260 H LYS 36 H LYS 36 -5.857 -6.194 -2.973
261 HA LYS 36 HA LYS 36 -7.496 -7.417 -5.137
262 1HB LYS 36 2HB LYS 36 -5.028 -8.451 -4.472
263 2HB LYS 36 1HB LYS 36 -6.089 -9.383 -3.431
264 1HG LYS 36 2HG LYS 36 -6.472 -9.050 -6.422
265 2HG LYS 36 1HG LYS 36 -5.735 -10.447 -5.649
266 1HD LYS 36 2HD LYS 36 -7.820 -10.801 -4.352
267 2HD LYS 36 1HD LYS 36 -8.563 -9.462 -5.227
268 1HE LYS 36 2HE LYS 36 -8.337 -10.628 -7.333
269 2HE LYS 36 1HE LYS 36 -7.388 -11.906 -6.575
270 1HZ LYS 36 1HZ LYS 36 -10.197 -11.650 -6.753
271 2HZ LYS 36 2HZ LYS 36 -9.731 -11.700 -5.120
272 3HZ LYS 36 3HZ LYS 36 -9.280 -12.955 -6.175
273 H CYS 37 H CYS 37 -6.615 -7.363 -1.706
274 HA CYS 37 HA CYS 37 -9.421 -8.206 -1.049
275 1HB CYS 37 2HB CYS 37 -8.521 -9.330 0.915
276 2HB CYS 37 1HB CYS 37 -7.658 -9.887 -0.514
277 H GLU 38 H GLU 38 -6.946 -5.842 -0.624
278 HA GLU 38 HA GLU 38 -7.079 -3.762 0.391
279 1HB GLU 38 2HB GLU 38 -9.741 -4.472 1.605
280 2HB GLU 38 1HB GLU 38 -9.126 -2.889 1.140
281 1HG GLU 38 2HG GLU 38 -9.044 -4.076 -1.277
282 2HG GLU 38 1HG GLU 38 -10.356 -5.011 -0.559
283 H LYS 39 H LYS 39 -5.634 -5.727 1.616
284 HA LYS 39 HA LYS 39 -6.362 -5.565 4.499
285 1HB LYS 39 2HB LYS 39 -5.650 -7.769 3.322
286 2HB LYS 39 1HB LYS 39 -4.018 -7.105 3.399
287 1HG LYS 39 2HG LYS 39 -5.784 -7.202 5.849
288 2HG LYS 39 1HG LYS 39 -4.816 -8.585 5.371
289 1HD LYS 39 2HD LYS 39 -2.824 -6.936 5.290
290 2HD LYS 39 1HD LYS 39 -3.869 -5.848 6.204
291 1HE LYS 39 2HE LYS 39 -4.224 -7.802 7.826
292 2HE LYS 39 1HE LYS 39 -2.866 -8.580 7.014
293 1HZ LYS 39 1HZ LYS 39 -1.489 -7.352 8.206
294 2HZ LYS 39 2HZ LYS 39 -2.797 -6.611 8.995
295 3HZ LYS 39 3HZ LYS 39 -2.164 -5.930 7.574
296 HA PRO 40 HA PRO 40 -3.427 -2.150 4.304
297 1HB PRO 40 2HB PRO 40 -3.895 -1.480 6.990
298 2HB PRO 40 1HB PRO 40 -4.654 -0.735 5.601
299 1HG PRO 40 2HG PRO 40 -5.815 -2.525 7.555
300 2HG PRO 40 1HG PRO 40 -6.633 -1.665 6.254
301 1HD PRO 40 2HD PRO 40 -5.999 -4.473 6.393
302 2HD PRO 40 1HD PRO 40 -6.793 -3.617 5.065
303 H PHE 41 H PHE 41 -1.332 -2.044 4.804
304 HA PHE 41 HA PHE 41 -0.235 -4.067 6.705
305 1HB PHE 41 2HB PHE 41 1.537 -2.267 5.095
306 2HB PHE 41 1HB PHE 41 1.783 -3.944 5.573
307 HD1 PHE 41 1HD PHE 41 -0.177 -1.738 3.309
308 HD2 PHE 41 2HD PHE 41 1.122 -5.732 4.183
309 HE1 PHE 41 1HE PHE 41 -1.029 -2.497 1.103
310 HE2 PHE 41 2HE PHE 41 0.268 -6.490 1.992
311 HZ PHE 41 HZ PHE 41 -0.808 -4.883 0.447
312 H LEU 42 H LEU 42 -1.444 -2.286 8.212
313 HA LEU 42 HA LEU 42 -0.485 0.202 8.856
314 1HB LEU 42 2HB LEU 42 -1.334 -2.108 10.571
315 2HB LEU 42 1HB LEU 42 -0.663 -0.682 11.356
316 HG LEU 42 HG LEU 42 -2.340 0.737 10.227
317 1HD1 LEU 42 1HD1 LEU 42 -2.640 -0.407 8.179
318 2HD1 LEU 42 2HD1 LEU 42 -4.198 -0.488 9.009
319 3HD1 LEU 42 3HD1 LEU 42 -3.127 -1.893 8.997
320 1HD2 LEU 42 1HD2 LEU 42 -4.440 -0.406 11.225
321 2HD2 LEU 42 2HD2 LEU 42 -3.123 -0.023 12.337
322 3HD2 LEU 42 3HD2 LEU 42 -3.333 -1.674 11.753
323 H GLY 43 H GLY 43 0.976 -2.805 10.092
324 1HA GLY 43 2HA GLY 43 3.625 -1.422 10.095
325 2HA GLY 43 1HA GLY 43 3.097 -2.319 11.517
326 H HIS 44 H HIS 44 2.338 -3.366 8.265
327 HA HIS 44 HA HIS 44 4.172 -5.707 8.673
328 1HB HIS 44 2HB HIS 44 1.415 -5.468 7.501
329 2HB HIS 44 1HB HIS 44 2.481 -6.756 6.946
330 HD1 HIS 44 1HD HIS 44 1.389 -8.729 8.116
331 HD2 HIS 44 2HD HIS 44 2.264 -5.605 10.732
332 HE1 HIS 44 1HE HIS 44 0.982 -9.617 10.453
333 H ARG 45 H ARG 45 4.474 -6.794 6.335
334 HA ARG 45 HA ARG 45 5.718 -4.678 4.658
335 1HB ARG 45 2HB ARG 45 7.236 -6.444 5.163
336 2HB ARG 45 1HB ARG 45 6.028 -7.684 4.837
337 1HG ARG 45 2HG ARG 45 6.089 -7.234 2.471
338 2HG ARG 45 1HG ARG 45 7.078 -5.795 2.713
339 1HD ARG 45 2HD ARG 45 8.576 -7.770 3.950
340 2HD ARG 45 1HD ARG 45 7.888 -8.624 2.575
341 HE ARG 45 HE ARG 45 10.080 -6.903 2.392
342 1HH1 ARG 45 1HH2 ARG 45 6.901 -7.071 1.051
343 2HH1 ARG 45 2HH2 ARG 45 7.312 -6.155 -0.358
344 1HH2 ARG 45 1HH1 ARG 45 10.622 -5.721 0.558
345 2HH2 ARG 45 2HH1 ARG 45 9.414 -5.395 -0.639
346 H HIS 46 H HIS 46 5.110 -4.371 2.486
347 HA HIS 46 HA HIS 46 2.653 -5.858 1.625
348 1HB HIS 46 2HB HIS 46 2.344 -3.813 0.102
349 2HB HIS 46 1HB HIS 46 2.031 -3.587 1.817
350 HD1 HIS 46 1HD HIS 46 3.805 -2.231 3.192
351 HD2 HIS 46 2HD HIS 46 4.631 -2.467 -0.889
352 HE1 HIS 46 1HE HIS 46 5.629 -0.534 2.731
353 H TYR 47 H TYR 47 2.452 -5.855 -0.830
354 HA TYR 47 HA TYR 47 5.110 -6.231 -2.137
355 1HB TYR 47 2HB TYR 47 2.761 -8.103 -2.452
356 2HB TYR 47 1HB TYR 47 4.412 -8.361 -2.985
357 HD1 TYR 47 1HD TYR 47 5.917 -9.508 -1.574
358 HD2 TYR 47 2HD TYR 47 2.430 -7.665 0.127
359 HE1 TYR 47 1HE TYR 47 6.499 -10.419 0.658
360 HE2 TYR 47 2HE TYR 47 3.026 -8.577 2.343
361 HH TYR 47 HH TYR 47 5.494 -9.332 3.408
362 H GLU 48 H GLU 48 5.171 -5.454 -4.241
363 HA GLU 48 HA GLU 48 2.650 -4.193 -5.248
364 1HB GLU 48 2HB GLU 48 5.571 -3.542 -5.604
365 2HB GLU 48 1HB GLU 48 4.340 -2.871 -6.676
366 1HG GLU 48 2HG GLU 48 3.262 -1.725 -4.910
367 2HG GLU 48 1HG GLU 48 4.093 -2.669 -3.674
368 H ARG 49 H ARG 49 2.005 -4.439 -7.361
369 HA ARG 49 HA ARG 49 3.594 -6.100 -9.205
370 1HB ARG 49 2HB ARG 49 2.200 -7.684 -7.799
371 2HB ARG 49 1HB ARG 49 0.769 -6.939 -8.500
372 1HG ARG 49 2HG ARG 49 2.841 -7.791 -10.443
373 2HG ARG 49 1HG ARG 49 2.017 -9.098 -9.604
374 1HD ARG 49 2HD ARG 49 -0.158 -8.152 -10.265
375 2HD ARG 49 1HD ARG 49 0.658 -6.849 -11.111
376 HE ARG 49 HE ARG 49 0.039 -9.286 -12.293
377 1HH1 ARG 49 1HH2 ARG 49 2.954 -7.521 -11.666
378 2HH1 ARG 49 2HH2 ARG 49 3.830 -8.290 -12.944
379 1HH2 ARG 49 1HH1 ARG 49 1.175 -10.243 -13.969
380 2HH2 ARG 49 2HH1 ARG 49 2.830 -9.815 -14.242
381 H LYS 50 H LYS 50 3.502 -4.956 -11.062
382 HA LYS 50 HA LYS 50 2.684 -3.688 -12.834
383 1HB LYS 50 2HB LYS 50 0.046 -4.793 -11.825
384 2HB LYS 50 1HB LYS 50 0.221 -3.864 -13.309
385 1HG LYS 50 2HG LYS 50 2.025 -6.219 -12.910
386 2HG LYS 50 1HG LYS 50 0.341 -6.526 -13.336
387 1HD LYS 50 2HD LYS 50 0.546 -5.064 -15.297
388 2HD LYS 50 1HD LYS 50 2.222 -4.715 -14.876
389 1HE LYS 50 2HE LYS 50 2.263 -6.444 -16.553
390 2HE LYS 50 1HE LYS 50 2.674 -7.204 -15.016
391 1HZ LYS 50 1HZ LYS 50 -0.152 -7.103 -15.701
392 2HZ LYS 50 2HZ LYS 50 0.744 -8.337 -14.949
393 3HZ LYS 50 3HZ LYS 50 0.807 -8.145 -16.636
394 H GLY 51 H GLY 51 3.018 -2.505 -10.155
395 1HA GLY 51 2HA GLY 51 2.716 -0.290 -9.373
396 2HA GLY 51 1HA GLY 51 1.655 -0.007 -10.752
397 H LEU 52 H LEU 52 1.237 -2.682 -8.578
398 HA LEU 52 HA LEU 52 -1.007 -1.313 -7.205
399 1HB LEU 52 2HB LEU 52 -1.196 -3.777 -8.923
400 2HB LEU 52 1HB LEU 52 -2.315 -3.538 -7.586
401 HG LEU 52 HG LEU 52 -1.844 -1.565 -9.836
402 1HD1 LEU 52 1HD1 LEU 52 -4.272 -2.281 -10.358
403 2HD1 LEU 52 2HD1 LEU 52 -3.936 -3.684 -9.341
404 3HD1 LEU 52 3HD1 LEU 52 -2.980 -3.401 -10.798
405 1HD2 LEU 52 1HD2 LEU 52 -3.296 -1.479 -7.253
406 2HD2 LEU 52 2HD2 LEU 52 -4.244 -0.942 -8.643
407 3HD2 LEU 52 3HD2 LEU 52 -2.711 -0.157 -8.263
408 H ALA 53 H ALA 53 -1.188 -1.949 -5.100
409 HA ALA 53 HA ALA 53 0.958 -3.593 -4.038
410 1HB ALA 53 1HB ALA 53 -1.446 -2.270 -2.779
411 2HB ALA 53 2HB ALA 53 0.245 -1.770 -2.665
412 3HB ALA 53 3HB ALA 53 -0.302 -3.238 -1.844
413 H TYR 54 H TYR 54 0.712 -5.535 -2.825
414 HA TYR 54 HA TYR 54 -1.856 -6.950 -2.935
415 1HB TYR 54 2HB TYR 54 0.581 -7.794 -4.500
416 2HB TYR 54 1HB TYR 54 -0.628 -8.956 -3.973
417 HD1 TYR 54 1HD TYR 54 0.214 -6.440 -6.376
418 HD2 TYR 54 2HD TYR 54 -3.047 -8.552 -4.583
419 HE1 TYR 54 1HE TYR 54 -1.227 -5.788 -8.246
420 HE2 TYR 54 2HE TYR 54 -4.521 -7.872 -6.478
421 HH TYR 54 HH TYR 54 -4.426 -7.102 -8.686
422 H CYS 55 H CYS 55 -1.997 -8.384 -1.186
423 HA CYS 55 HA CYS 55 -0.087 -8.190 0.887
424 1HB CYS 55 2HB CYS 55 -1.944 -10.529 0.310
425 2HB CYS 55 1HB CYS 55 -1.122 -10.237 1.838
426 H GLU 56 H GLU 56 1.147 -10.278 1.688
427 HA GLU 56 HA GLU 56 3.164 -10.968 -0.209
428 1HB GLU 56 2HB GLU 56 3.312 -11.185 2.328
429 2HB GLU 56 1HB GLU 56 2.349 -12.646 2.180
430 1HG GLU 56 2HG GLU 56 4.873 -12.281 0.567
431 2HG GLU 56 1HG GLU 56 4.922 -12.914 2.211
432 H THR 57 H THR 57 0.145 -12.530 0.701
433 HA THR 57 HA THR 57 0.689 -14.888 -0.952
434 HB THR 57 HB THR 57 -1.758 -14.063 0.624
435 HG1 THR 57 1HG THR 57 0.344 -15.908 1.084
436 1HG2 THR 57 1HG2 THR 57 -2.507 -15.524 -1.108
437 2HG2 THR 57 2HG2 THR 57 -2.317 -16.535 0.325
438 3HG2 THR 57 3HG2 THR 57 -1.090 -16.561 -0.942
439 H HIS 58 H HIS 58 -1.592 -12.134 -1.086
440 HA HIS 58 HA HIS 58 -2.852 -13.066 -3.472
441 1HB HIS 58 2HB HIS 58 -2.614 -10.315 -2.252
442 2HB HIS 58 1HB HIS 58 -3.577 -10.651 -3.689
443 HD2 HIS 58 2HD HIS 58 -4.866 -13.545 -2.639
444 HE1 HIS 58 1HE HIS 58 -6.382 -11.279 0.582
445 HE2 HIS 58 2HE HIS 58 -6.570 -13.478 -0.668
446 H TYR 59 H TYR 59 -0.113 -10.900 -2.876
447 HA TYR 59 HA TYR 59 0.381 -10.120 -5.529
448 1HB TYR 59 2HB TYR 59 1.701 -9.239 -3.685
449 2HB TYR 59 1HB TYR 59 2.264 -10.839 -3.256
450 HD1 TYR 59 1HD TYR 59 1.915 -9.552 -6.720
451 HD2 TYR 59 2HD TYR 59 4.618 -10.522 -3.527
452 HE1 TYR 59 1HE TYR 59 3.807 -9.307 -8.246
453 HE2 TYR 59 2HE TYR 59 6.532 -10.264 -5.078
454 HH TYR 59 HH TYR 59 6.869 -8.860 -7.368
455 H ASN 60 H ASN 60 1.740 -12.791 -3.682
456 HA ASN 60 HA ASN 60 2.912 -14.071 -5.922
457 1HB ASN 60 2HB ASN 60 2.148 -15.054 -3.175
458 2HB ASN 60 1HB ASN 60 2.892 -16.114 -4.372
459 1HD2 ASN 60 1HD2 ASN 60 3.460 -13.275 -2.325
460 2HD2 ASN 60 2HD2 ASN 60 5.144 -13.241 -2.537
461 H GLN 61 H GLN 61 -0.210 -14.574 -4.268
462 HA GLN 61 HA GLN 61 -1.067 -16.798 -5.826
463 1HB GLN 61 2HB GLN 61 -2.321 -15.639 -3.863
464 2HB GLN 61 1HB GLN 61 -2.944 -14.545 -5.099
465 1HG GLN 61 2HG GLN 61 -3.790 -16.510 -6.370
466 2HG GLN 61 1HG GLN 61 -3.240 -17.561 -5.064
467 1HE2 GLN 61 1HE2 GLN 61 -4.645 -17.831 -3.296
468 2HE2 GLN 61 2HE2 GLN 61 -6.057 -16.923 -3.051
469 H LEU 62 H LEU 62 -0.898 -13.386 -6.446
470 HA LEU 62 HA LEU 62 -2.184 -13.548 -9.065
471 1HB LEU 62 2HB LEU 62 -0.893 -11.420 -7.409
472 2HB LEU 62 1HB LEU 62 -0.931 -11.164 -9.148
473 HG LEU 62 HG LEU 62 -3.425 -11.718 -9.015
474 1HD1 LEU 62 1HD1 LEU 62 -4.523 -11.657 -6.947
475 2HD1 LEU 62 2HD1 LEU 62 -3.135 -10.941 -6.128
476 3HD1 LEU 62 3HD1 LEU 62 -3.100 -12.638 -6.619
477 1HD2 LEU 62 1HD2 LEU 62 -2.823 -9.457 -9.415
478 2HD2 LEU 62 2HD2 LEU 62 -2.206 -9.259 -7.775
479 3HD2 LEU 62 3HD2 LEU 62 -3.946 -9.404 -8.053
480 H PHE 63 H PHE 63 1.107 -13.422 -7.784
481 HA PHE 63 HA PHE 63 2.125 -14.628 -10.246
482 1HB PHE 63 2HB PHE 63 2.602 -11.742 -9.562
483 2HB PHE 63 1HB PHE 63 3.842 -12.652 -10.424
484 HD1 PHE 63 1HD PHE 63 0.605 -11.042 -10.635
485 HD2 PHE 63 2HD PHE 63 3.261 -13.776 -12.611
486 HE1 PHE 63 1HE PHE 63 -0.702 -10.797 -12.737
487 HE2 PHE 63 2HE PHE 63 1.966 -13.525 -14.710
488 HZ PHE 63 HZ PHE 63 -0.017 -12.037 -14.772
489 H GLY 64 H GLY 64 3.844 -12.526 -7.990
490 1HA GLY 64 2HA GLY 64 5.209 -13.183 -6.125
491 2HA GLY 64 1HA GLY 64 4.976 -14.870 -6.583
492 H ASP 65 H ASP 65 5.592 -13.613 -9.440
493 HA ASP 65 HA ASP 65 8.446 -13.076 -9.288
494 1HB ASP 65 2HB ASP 65 8.991 -15.154 -10.707
495 2HB ASP 65 1HB ASP 65 8.715 -15.417 -8.985
496 H VAL 66 H VAL 66 7.337 -14.938 -11.964
497 HA VAL 66 HA VAL 66 7.789 -12.840 -13.846
498 HB VAL 66 HB VAL 66 6.708 -14.340 -15.480
499 1HG1 VAL 66 1HG1 VAL 66 8.104 -16.399 -14.975
500 2HG1 VAL 66 2HG1 VAL 66 8.514 -15.651 -13.431
501 3HG1 VAL 66 3HG1 VAL 66 8.990 -14.875 -14.942
502 1HG2 VAL 66 1HG2 VAL 66 5.856 -16.564 -14.533
503 2HG2 VAL 66 2HG2 VAL 66 4.819 -15.162 -14.269
504 3HG2 VAL 66 3HG2 VAL 66 5.833 -15.769 -12.959
Start of MODEL 9
1 1H GLY 1 1HT GLY 1 8.684 28.244 3.184
2 2H GLY 1 2HT GLY 1 9.117 27.902 1.577
3 3H GLY 1 3HT GLY 1 10.317 28.035 2.772
4 1HA GLY 1 2HA GLY 1 9.157 25.722 1.919
5 2HA GLY 1 1HA GLY 1 10.103 25.927 3.394
6 H SER 2 H SER 2 6.905 25.535 2.094
7 HA SER 2 HA SER 2 5.893 24.848 4.753
8 1HB SER 2 2HB SER 2 4.679 27.182 3.244
9 2HB SER 2 1HB SER 2 4.059 26.485 4.738
10 HG SER 2 HG SER 2 6.424 26.943 5.402
11 H MET 3 H MET 3 4.504 25.900 1.617
12 HA MET 3 HA MET 3 2.384 24.078 1.516
13 1HB MET 3 2HB MET 3 2.454 24.334 -0.926
14 2HB MET 3 1HB MET 3 2.746 25.888 -0.145
15 1HG MET 3 2HG MET 3 5.248 25.329 -0.337
16 2HG MET 3 1HG MET 3 4.758 24.052 -1.452
17 1HE MET 3 1HE MET 3 5.497 24.572 -3.675
18 2HE MET 3 2HE MET 3 6.631 25.625 -2.831
19 3HE MET 3 3HE MET 3 5.810 26.205 -4.278
20 H GLY 4 H GLY 4 2.256 21.889 1.254
21 1HA GLY 4 2HA GLY 4 3.869 20.229 -0.305
22 2HA GLY 4 1HA GLY 4 4.668 20.293 1.267
23 H VAL 5 H VAL 5 3.974 18.864 2.774
24 HA VAL 5 HA VAL 5 2.686 17.200 3.795
25 HB VAL 5 HB VAL 5 0.680 19.199 2.835
26 1HG1 VAL 5 1HG1 VAL 5 -0.629 17.316 2.332
27 2HG1 VAL 5 2HG1 VAL 5 -1.055 17.665 4.010
28 3HG1 VAL 5 3HG1 VAL 5 0.069 16.364 3.646
29 1HG2 VAL 5 1HG2 VAL 5 1.412 17.946 5.493
30 2HG2 VAL 5 2HG2 VAL 5 0.058 19.060 5.282
31 3HG2 VAL 5 3HG2 VAL 5 1.710 19.608 4.973
32 HA PRO 6 HA PRO 6 2.081 14.420 0.376
33 1HB PRO 6 2HB PRO 6 1.647 12.212 2.087
34 2HB PRO 6 1HB PRO 6 3.199 12.706 1.408
35 1HG PRO 6 2HG PRO 6 2.332 12.892 4.167
36 2HG PRO 6 1HG PRO 6 3.911 13.277 3.482
37 1HD PRO 6 2HD PRO 6 1.830 15.102 4.349
38 2HD PRO 6 1HD PRO 6 3.458 15.474 3.779
39 H ILE 7 H ILE 7 0.343 12.969 -0.324
40 HA ILE 7 HA ILE 7 -2.189 13.361 1.180
41 HB ILE 7 HB ILE 7 -1.661 14.059 -1.706
42 1HG1 ILE 7 2HG1 ILE 7 -3.143 15.420 0.546
43 2HG1 ILE 7 1HG1 ILE 7 -1.458 15.726 0.173
44 1HG2 ILE 7 1HG2 ILE 7 -4.226 14.312 -1.760
45 2HG2 ILE 7 2HG2 ILE 7 -4.241 13.268 -0.339
46 3HG2 ILE 7 3HG2 ILE 7 -3.595 12.669 -1.866
47 1HD1 ILE 7 1HD1 ILE 7 -3.276 17.318 -0.788
48 2HD1 ILE 7 2HD1 ILE 7 -3.578 16.017 -1.944
49 3HD1 ILE 7 3HD1 ILE 7 -1.985 16.772 -1.860
50 H CYS 8 H CYS 8 -3.016 11.470 1.577
51 HA CYS 8 HA CYS 8 -2.027 9.046 0.567
52 1HB CYS 8 2HB CYS 8 -3.218 9.093 2.657
53 2HB CYS 8 1HB CYS 8 -4.672 9.687 1.869
54 H GLY 9 H GLY 9 -2.146 8.340 -1.445
55 1HA GLY 9 2HA GLY 9 -3.902 9.365 -3.426
56 2HA GLY 9 1HA GLY 9 -2.983 7.870 -3.583
57 H ALA 10 H ALA 10 -4.622 7.473 -0.807
58 HA ALA 10 HA ALA 10 -6.633 5.774 -2.110
59 1HB ALA 10 1HB ALA 10 -6.580 6.176 0.854
60 2HB ALA 10 2HB ALA 10 -5.200 5.373 0.111
61 3HB ALA 10 3HB ALA 10 -6.815 4.695 -0.073
62 H CYS 11 H CYS 11 -6.762 8.289 0.418
63 HA CYS 11 HA CYS 11 -9.585 8.830 -0.370
64 1HB CYS 11 2HB CYS 11 -9.394 10.319 1.784
65 2HB CYS 11 1HB CYS 11 -9.516 8.569 1.957
66 H ARG 12 H ARG 12 -6.542 9.918 -1.132
67 HA ARG 12 HA ARG 12 -5.754 11.893 -2.107
68 1HB ARG 12 2HB ARG 12 -8.655 12.677 -2.453
69 2HB ARG 12 1HB ARG 12 -7.281 13.097 -3.476
70 1HG ARG 12 2HG ARG 12 -8.462 10.325 -3.124
71 2HG ARG 12 1HG ARG 12 -8.613 11.345 -4.554
72 1HD ARG 12 2HD ARG 12 -6.022 11.366 -4.567
73 2HD ARG 12 1HD ARG 12 -6.149 9.987 -3.473
74 HE ARG 12 HE ARG 12 -7.810 9.307 -5.581
75 1HH1 ARG 12 1HH2 ARG 12 -4.548 10.358 -5.205
76 2HH1 ARG 12 2HH2 ARG 12 -3.971 9.497 -6.594
77 1HH2 ARG 12 1HH1 ARG 12 -7.075 8.178 -7.396
78 2HH2 ARG 12 2HH1 ARG 12 -5.402 8.263 -7.833
79 H ARG 13 H ARG 13 -6.081 11.826 0.721
80 HA ARG 13 HA ARG 13 -6.843 14.661 1.284
81 1HB ARG 13 2HB ARG 13 -7.003 12.187 3.018
82 2HB ARG 13 1HB ARG 13 -7.110 13.815 3.684
83 1HG ARG 13 2HG ARG 13 -8.918 12.739 1.501
84 2HG ARG 13 1HG ARG 13 -9.346 12.800 3.207
85 1HD ARG 13 2HD ARG 13 -8.627 15.363 2.909
86 2HD ARG 13 1HD ARG 13 -9.095 15.031 1.241
87 HE ARG 13 HE ARG 13 -11.206 14.033 2.730
88 1HH1 ARG 13 1HH2 ARG 13 -9.479 17.010 2.517
89 2HH1 ARG 13 2HH2 ARG 13 -10.844 17.985 2.947
90 1HH2 ARG 13 1HH1 ARG 13 -12.998 15.289 3.293
91 2HH2 ARG 13 2HH1 ARG 13 -12.836 17.011 3.386
92 HA PRO 14 HA PRO 14 -2.637 15.384 2.252
93 1HB PRO 14 2HB PRO 14 -3.206 17.002 4.574
94 2HB PRO 14 1HB PRO 14 -2.724 17.529 2.959
95 1HG PRO 14 2HG PRO 14 -5.293 17.816 4.145
96 2HG PRO 14 1HG PRO 14 -4.812 18.220 2.488
97 1HD PRO 14 2HD PRO 14 -6.461 15.996 3.384
98 2HD PRO 14 1HD PRO 14 -6.074 16.484 1.722
99 H ILE 15 H ILE 15 -1.510 13.687 3.076
100 HA ILE 15 HA ILE 15 -2.351 12.296 5.485
101 HB ILE 15 HB ILE 15 0.292 12.191 3.987
102 1HG1 ILE 15 2HG1 ILE 15 -1.741 10.005 3.975
103 2HG1 ILE 15 1HG1 ILE 15 -2.080 11.433 3.003
104 1HG2 ILE 15 1HG2 ILE 15 -0.837 10.671 6.325
105 2HG2 ILE 15 2HG2 ILE 15 0.792 11.304 6.106
106 3HG2 ILE 15 3HG2 ILE 15 0.272 9.872 5.212
107 1HD1 ILE 15 1HD1 ILE 15 -0.289 11.063 1.583
108 2HD1 ILE 15 2HD1 ILE 15 -0.686 9.398 2.004
109 3HD1 ILE 15 3HD1 ILE 15 0.650 10.220 2.811
110 H GLU 16 H GLU 16 -0.981 12.215 7.512
111 HA GLU 16 HA GLU 16 0.959 14.322 7.966
112 1HB GLU 16 2HB GLU 16 -0.541 15.554 9.654
113 2HB GLU 16 1HB GLU 16 -0.845 15.861 7.944
114 1HG GLU 16 2HG GLU 16 -2.728 14.379 7.920
115 2HG GLU 16 1HG GLU 16 -2.327 13.742 9.516
116 H GLY 17 H GLY 17 1.701 12.074 8.654
117 1HA GLY 17 2HA GLY 17 2.176 11.896 11.363
118 2HA GLY 17 1HA GLY 17 0.661 11.015 11.164
119 H ARG 18 H ARG 18 0.873 9.687 8.929
120 HA ARG 18 HA ARG 18 3.485 8.267 8.869
121 1HB ARG 18 2HB ARG 18 0.944 7.226 9.885
122 2HB ARG 18 1HB ARG 18 1.578 6.249 8.569
123 1HG ARG 18 2HG ARG 18 3.716 6.006 9.716
124 2HG ARG 18 1HG ARG 18 3.178 7.074 11.006
125 1HD ARG 18 2HD ARG 18 2.087 4.344 10.307
126 2HD ARG 18 1HD ARG 18 2.917 4.803 11.788
127 HE ARG 18 HE ARG 18 0.114 4.984 11.333
128 1HH1 ARG 18 1HH2 ARG 18 2.709 6.952 12.486
129 2HH1 ARG 18 2HH2 ARG 18 1.666 8.043 13.331
130 1HH2 ARG 18 1HH1 ARG 18 -1.241 6.388 12.438
131 2HH2 ARG 18 2HH1 ARG 18 -0.563 7.723 13.309
132 H VAL 19 H VAL 19 4.084 7.943 6.760
133 HA VAL 19 HA VAL 19 1.931 8.072 4.675
134 HB VAL 19 HB VAL 19 4.738 9.203 4.459
135 1HG1 VAL 19 1HG1 VAL 19 2.588 8.634 2.520
136 2HG1 VAL 19 2HG1 VAL 19 4.296 8.964 2.233
137 3HG1 VAL 19 3HG1 VAL 19 3.163 10.300 2.460
138 1HG2 VAL 19 1HG2 VAL 19 3.847 11.339 4.797
139 2HG2 VAL 19 2HG2 VAL 19 2.922 10.382 5.954
140 3HG2 VAL 19 3HG2 VAL 19 2.211 10.820 4.403
141 H VAL 20 H VAL 20 2.315 6.858 2.779
142 HA VAL 20 HA VAL 20 4.530 4.855 2.946
143 HB VAL 20 HB VAL 20 1.604 4.432 2.355
144 1HG1 VAL 20 1HG1 VAL 20 3.981 2.985 1.229
145 2HG1 VAL 20 2HG1 VAL 20 2.434 3.356 0.465
146 3HG1 VAL 20 3HG1 VAL 20 2.541 2.054 1.648
147 1HG2 VAL 20 1HG2 VAL 20 3.656 2.924 3.997
148 2HG2 VAL 20 2HG2 VAL 20 1.945 2.514 3.869
149 3HG2 VAL 20 3HG2 VAL 20 2.436 4.025 4.629
150 H ASN 21 H ASN 21 5.835 5.278 1.224
151 HA ASN 21 HA ASN 21 4.728 6.740 -1.075
152 1HB ASN 21 2HB ASN 21 7.500 5.841 -0.317
153 2HB ASN 21 1HB ASN 21 7.150 6.586 -1.872
154 1HD2 ASN 21 1HD2 ASN 21 5.683 7.400 1.297
155 2HD2 ASN 21 2HD2 ASN 21 6.249 9.000 1.323
156 H ALA 22 H ALA 22 3.559 5.457 -2.423
157 HA ALA 22 HA ALA 22 4.951 3.145 -3.656
158 1HB ALA 22 1HB ALA 22 2.113 2.906 -2.637
159 2HB ALA 22 2HB ALA 22 3.505 2.343 -1.709
160 3HB ALA 22 3HB ALA 22 3.139 1.622 -3.278
161 H MET 23 H MET 23 3.873 2.512 -5.709
162 HA MET 23 HA MET 23 2.911 3.111 -7.763
163 1HB MET 23 2HB MET 23 1.001 4.814 -6.159
164 2HB MET 23 1HB MET 23 0.700 4.002 -7.692
165 1HG MET 23 2HG MET 23 1.350 2.447 -5.183
166 2HG MET 23 1HG MET 23 -0.299 2.917 -5.582
167 1HE MET 23 1HE MET 23 1.329 -0.896 -6.573
168 2HE MET 23 2HE MET 23 0.329 -0.210 -5.291
169 3HE MET 23 3HE MET 23 1.994 0.331 -5.484
170 H GLY 24 H GLY 24 4.817 4.861 -6.164
171 1HA GLY 24 2HA GLY 24 6.007 6.843 -6.641
172 2HA GLY 24 1HA GLY 24 5.027 6.992 -8.102
173 H LYS 25 H LYS 25 3.418 6.538 -5.113
174 HA LYS 25 HA LYS 25 2.694 9.442 -4.974
175 1HB LYS 25 2HB LYS 25 0.868 7.038 -4.667
176 2HB LYS 25 1HB LYS 25 0.386 8.710 -4.415
177 1HG LYS 25 2HG LYS 25 1.635 8.646 -6.959
178 2HG LYS 25 1HG LYS 25 0.578 7.236 -6.901
179 1HD LYS 25 2HD LYS 25 -1.277 8.739 -6.114
180 2HD LYS 25 1HD LYS 25 -0.210 10.117 -6.388
181 1HE LYS 25 2HE LYS 25 -0.898 8.088 -8.528
182 2HE LYS 25 1HE LYS 25 -1.767 9.607 -8.312
183 1HZ LYS 25 1HZ LYS 25 0.801 9.128 -9.487
184 2HZ LYS 25 2HZ LYS 25 0.846 10.349 -8.306
185 3HZ LYS 25 3HZ LYS 25 -0.217 10.478 -9.625
186 H GLN 26 H GLN 26 0.927 9.018 -2.792
187 HA GLN 26 HA GLN 26 2.694 8.001 -0.606
188 1HB GLN 26 2HB GLN 26 1.347 10.693 -0.878
189 2HB GLN 26 1HB GLN 26 1.771 10.046 0.701
190 1HG GLN 26 2HG GLN 26 4.015 10.377 0.378
191 2HG GLN 26 1HG GLN 26 3.943 9.863 -1.302
192 1HE2 GLN 26 1HE2 GLN 26 1.582 12.245 -0.855
193 2HE2 GLN 26 2HE2 GLN 26 2.482 13.588 -1.363
194 H TRP 27 H TRP 27 1.434 6.974 1.071
195 HA TRP 27 HA TRP 27 -1.533 7.122 0.757
196 1HB TRP 27 2HB TRP 27 0.017 4.531 0.937
197 2HB TRP 27 1HB TRP 27 -1.725 4.703 0.747
198 HD1 TRP 27 HD TRP 27 1.565 5.317 -1.151
199 HE1 TRP 27 1HE TRP 27 1.046 5.381 -3.676
200 HE3 TRP 27 3HE TRP 27 -3.502 5.022 -0.988
201 HZ2 TRP 27 2HZ TRP 27 -1.248 5.314 -5.398
202 HZ3 TRP 27 3HZ TRP 27 -4.844 5.023 -3.058
203 HH2 TRP 27 HH TRP 27 -3.727 5.169 -5.271
204 H HIS 28 H HIS 28 -2.643 6.947 2.740
205 HA HIS 28 HA HIS 28 -1.189 7.339 5.173
206 1HB HIS 28 2HB HIS 28 -3.979 6.301 4.613
207 2HB HIS 28 1HB HIS 28 -3.343 6.346 6.252
208 HD2 HIS 28 2HD HIS 28 -2.365 9.138 6.905
209 HE1 HIS 28 1HE HIS 28 -5.329 10.837 4.424
210 HE2 HIS 28 2HE HIS 28 -3.646 11.322 6.264
211 H VAL 29 H VAL 29 -0.337 5.772 6.619
212 HA VAL 29 HA VAL 29 0.445 3.259 5.566
213 HB VAL 29 HB VAL 29 0.347 4.417 8.342
214 1HG1 VAL 29 1HG1 VAL 29 -0.056 2.167 8.879
215 2HG1 VAL 29 2HG1 VAL 29 1.702 2.291 8.950
216 3HG1 VAL 29 3HG1 VAL 29 0.925 1.572 7.539
217 1HG2 VAL 29 1HG2 VAL 29 2.652 3.366 6.682
218 2HG2 VAL 29 2HG2 VAL 29 2.744 4.407 8.100
219 3HG2 VAL 29 3HG2 VAL 29 2.084 5.035 6.586
220 H GLU 30 H GLU 30 -2.521 4.282 6.982
221 HA GLU 30 HA GLU 30 -3.372 1.508 7.519
222 1HB GLU 30 2HB GLU 30 -5.496 2.695 8.320
223 2HB GLU 30 1HB GLU 30 -4.028 3.000 9.250
224 1HG GLU 30 2HG GLU 30 -3.699 5.128 8.207
225 2HG GLU 30 1HG GLU 30 -4.925 4.792 6.984
226 H HIS 31 H HIS 31 -3.519 3.798 4.976
227 HA HIS 31 HA HIS 31 -5.943 2.464 3.833
228 1HB HIS 31 2HB HIS 31 -4.586 5.063 3.050
229 2HB HIS 31 1HB HIS 31 -5.976 4.368 2.225
230 HD2 HIS 31 2HD HIS 31 -7.295 3.460 5.340
231 HE1 HIS 31 1HE HIS 31 -7.817 7.639 5.579
232 HE2 HIS 31 2HE HIS 31 -8.520 5.409 6.561
233 H PHE 32 H PHE 32 -2.577 2.381 3.642
234 HA PHE 32 HA PHE 32 -2.502 1.732 0.777
235 1HB PHE 32 2HB PHE 32 -0.511 2.730 2.066
236 2HB PHE 32 1HB PHE 32 -0.315 1.131 2.786
237 HD1 PHE 32 1HD PHE 32 1.242 -0.244 1.722
238 HD2 PHE 32 2HD PHE 32 -1.035 2.530 -0.637
239 HE1 PHE 32 1HE PHE 32 2.357 -1.067 -0.331
240 HE2 PHE 32 2HE PHE 32 0.084 1.710 -2.681
241 HZ PHE 32 HZ PHE 32 1.784 -0.088 -2.532
242 H VAL 33 H VAL 33 -3.653 -0.060 0.348
243 HA VAL 33 HA VAL 33 -3.131 -2.484 2.018
244 HB VAL 33 HB VAL 33 -5.450 -3.121 1.614
245 1HG1 VAL 33 1HG1 VAL 33 -5.781 -1.949 3.517
246 2HG1 VAL 33 2HG1 VAL 33 -6.358 -0.633 2.502
247 3HG1 VAL 33 3HG1 VAL 33 -4.672 -0.669 3.015
248 1HG2 VAL 33 1HG2 VAL 33 -5.779 -2.185 -0.592
249 2HG2 VAL 33 2HG2 VAL 33 -5.504 -0.549 0.012
250 3HG2 VAL 33 3HG2 VAL 33 -6.956 -1.431 0.486
251 H CYS 34 H CYS 34 -4.000 -4.445 0.820
252 HA CYS 34 HA CYS 34 -2.455 -4.852 -1.572
253 1HB CYS 34 2HB CYS 34 -2.791 -6.739 -0.249
254 2HB CYS 34 1HB CYS 34 -4.499 -6.410 -0.016
255 H ALA 35 H ALA 35 -3.210 -5.148 -3.714
256 HA ALA 35 HA ALA 35 -5.700 -3.671 -4.323
257 1HB ALA 35 1HB ALA 35 -3.391 -3.377 -5.479
258 2HB ALA 35 2HB ALA 35 -4.833 -3.433 -6.499
259 3HB ALA 35 3HB ALA 35 -3.808 -4.858 -6.342
260 H LYS 36 H LYS 36 -5.641 -6.460 -3.174
261 HA LYS 36 HA LYS 36 -7.351 -7.743 -5.267
262 1HB LYS 36 2HB LYS 36 -5.117 -8.865 -5.189
263 2HB LYS 36 1HB LYS 36 -5.373 -9.204 -3.484
264 1HG LYS 36 2HG LYS 36 -5.953 -11.152 -4.874
265 2HG LYS 36 1HG LYS 36 -7.369 -10.525 -4.035
266 1HD LYS 36 2HD LYS 36 -8.339 -9.720 -5.980
267 2HD LYS 36 1HD LYS 36 -6.785 -9.443 -6.765
268 1HE LYS 36 2HE LYS 36 -7.659 -12.254 -6.150
269 2HE LYS 36 1HE LYS 36 -8.292 -11.431 -7.575
270 1HZ LYS 36 1HZ LYS 36 -5.520 -12.190 -6.949
271 2HZ LYS 36 2HZ LYS 36 -5.817 -10.873 -7.982
272 3HZ LYS 36 3HZ LYS 36 -6.397 -12.419 -8.381
273 H CYS 37 H CYS 37 -6.606 -7.241 -1.871
274 HA CYS 37 HA CYS 37 -9.336 -8.276 -1.197
275 1HB CYS 37 2HB CYS 37 -8.441 -9.326 0.798
276 2HB CYS 37 1HB CYS 37 -7.506 -9.882 -0.587
277 H GLU 38 H GLU 38 -6.969 -5.798 -0.873
278 HA GLU 38 HA GLU 38 -7.127 -3.711 0.119
279 1HB GLU 38 2HB GLU 38 -9.852 -4.421 1.192
280 2HB GLU 38 1HB GLU 38 -9.224 -2.838 0.746
281 1HG GLU 38 2HG GLU 38 -10.291 -3.142 -1.234
282 2HG GLU 38 1HG GLU 38 -8.989 -4.264 -1.624
283 H LYS 39 H LYS 39 -5.768 -5.661 1.475
284 HA LYS 39 HA LYS 39 -6.623 -5.380 4.313
285 1HB LYS 39 2HB LYS 39 -4.907 -7.315 2.821
286 2HB LYS 39 1HB LYS 39 -4.481 -6.985 4.498
287 1HG LYS 39 2HG LYS 39 -7.129 -7.343 4.828
288 2HG LYS 39 1HG LYS 39 -6.905 -8.330 3.388
289 1HD LYS 39 2HD LYS 39 -5.328 -8.588 5.960
290 2HD LYS 39 1HD LYS 39 -6.627 -9.665 5.446
291 1HE LYS 39 2HE LYS 39 -5.256 -10.054 3.314
292 2HE LYS 39 1HE LYS 39 -3.920 -9.272 4.160
293 1HZ LYS 39 1HZ LYS 39 -4.030 -10.911 5.877
294 2HZ LYS 39 2HZ LYS 39 -3.937 -11.715 4.383
295 3HZ LYS 39 3HZ LYS 39 -5.421 -11.611 5.204
296 HA PRO 40 HA PRO 40 -3.560 -2.102 4.147
297 1HB PRO 40 2HB PRO 40 -4.077 -1.232 6.746
298 2HB PRO 40 1HB PRO 40 -4.875 -0.636 5.300
299 1HG PRO 40 2HG PRO 40 -5.943 -2.387 7.387
300 2HG PRO 40 1HG PRO 40 -6.821 -1.495 6.146
301 1HD PRO 40 2HD PRO 40 -6.285 -4.302 6.201
302 2HD PRO 40 1HD PRO 40 -7.012 -3.394 4.864
303 H PHE 41 H PHE 41 -1.484 -2.184 4.661
304 HA PHE 41 HA PHE 41 -0.583 -4.219 6.635
305 1HB PHE 41 2HB PHE 41 1.362 -2.565 5.089
306 2HB PHE 41 1HB PHE 41 1.421 -4.278 5.494
307 HD1 PHE 41 1HD PHE 41 -0.245 -5.842 4.363
308 HD2 PHE 41 2HD PHE 41 0.544 -1.862 2.995
309 HE1 PHE 41 1HE PHE 41 -1.168 -6.429 2.134
310 HE2 PHE 41 2HE PHE 41 -0.375 -2.436 0.763
311 HZ PHE 41 HZ PHE 41 -1.221 -4.725 0.330
312 H LEU 42 H LEU 42 -1.716 -2.429 8.076
313 HA LEU 42 HA LEU 42 -0.680 0.022 8.758
314 1HB LEU 42 2HB LEU 42 -1.694 -2.238 10.469
315 2HB LEU 42 1HB LEU 42 -1.095 -0.768 11.228
316 HG LEU 42 HG LEU 42 -2.688 0.402 9.429
317 1HD1 LEU 42 1HD1 LEU 42 -4.217 -2.140 9.951
318 2HD1 LEU 42 2HD1 LEU 42 -3.211 -1.956 8.517
319 3HD1 LEU 42 3HD1 LEU 42 -4.567 -0.859 8.790
320 1HD2 LEU 42 1HD2 LEU 42 -3.055 0.776 11.755
321 2HD2 LEU 42 2HD2 LEU 42 -3.537 -0.901 12.018
322 3HD2 LEU 42 3HD2 LEU 42 -4.587 0.187 11.106
323 H GLY 43 H GLY 43 0.547 -3.040 10.096
324 1HA GLY 43 2HA GLY 43 3.226 -1.730 10.376
325 2HA GLY 43 1HA GLY 43 2.574 -2.779 11.634
326 H HIS 44 H HIS 44 1.934 -3.561 8.315
327 HA HIS 44 HA HIS 44 3.864 -5.849 8.542
328 1HB HIS 44 2HB HIS 44 1.108 -5.626 7.352
329 2HB HIS 44 1HB HIS 44 2.229 -6.846 6.750
330 HD1 HIS 44 1HD HIS 44 1.279 -8.942 7.799
331 HD2 HIS 44 2HD HIS 44 1.806 -5.879 10.575
332 HE1 HIS 44 1HE HIS 44 0.833 -9.956 10.076
333 H ARG 45 H ARG 45 4.568 -6.671 6.339
334 HA ARG 45 HA ARG 45 5.595 -4.402 4.774
335 1HB ARG 45 2HB ARG 45 7.230 -6.062 5.045
336 2HB ARG 45 1HB ARG 45 6.073 -7.373 4.835
337 1HG ARG 45 2HG ARG 45 5.957 -7.030 2.476
338 2HG ARG 45 1HG ARG 45 6.780 -5.474 2.590
339 1HD ARG 45 2HD ARG 45 8.085 -7.706 1.888
340 2HD ARG 45 1HD ARG 45 8.865 -6.438 2.834
341 HE ARG 45 HE ARG 45 7.724 -8.080 4.750
342 1HH1 ARG 45 1HH2 ARG 45 9.806 -8.481 2.032
343 2HH1 ARG 45 2HH2 ARG 45 10.654 -9.829 2.712
344 1HH2 ARG 45 1HH1 ARG 45 8.819 -9.838 5.655
345 2HH2 ARG 45 2HH1 ARG 45 10.096 -10.597 4.763
346 H HIS 46 H HIS 46 5.273 -4.265 2.418
347 HA HIS 46 HA HIS 46 2.718 -5.562 1.534
348 1HB HIS 46 2HB HIS 46 2.509 -3.529 0.008
349 2HB HIS 46 1HB HIS 46 2.222 -3.258 1.715
350 HD1 HIS 46 1HD HIS 46 4.253 -2.165 3.093
351 HD2 HIS 46 2HD HIS 46 4.657 -2.103 -1.057
352 HE1 HIS 46 1HE HIS 46 6.098 -0.508 2.578
353 H TYR 47 H TYR 47 2.555 -5.584 -0.889
354 HA TYR 47 HA TYR 47 5.195 -6.030 -2.198
355 1HB TYR 47 2HB TYR 47 2.822 -7.882 -2.452
356 2HB TYR 47 1HB TYR 47 4.461 -8.168 -3.004
357 HD1 TYR 47 1HD TYR 47 5.988 -9.285 -1.587
358 HD2 TYR 47 2HD TYR 47 2.521 -7.406 0.113
359 HE1 TYR 47 1HE TYR 47 6.600 -10.145 0.658
360 HE2 TYR 47 2HE TYR 47 3.147 -8.266 2.344
361 HH TYR 47 HH TYR 47 6.236 -9.777 2.923
362 H GLU 48 H GLU 48 5.247 -5.207 -4.269
363 HA GLU 48 HA GLU 48 2.690 -4.032 -5.296
364 1HB GLU 48 2HB GLU 48 5.554 -3.174 -5.377
365 2HB GLU 48 1HB GLU 48 4.503 -2.695 -6.709
366 1HG GLU 48 2HG GLU 48 2.911 -1.717 -5.108
367 2HG GLU 48 1HG GLU 48 3.959 -2.190 -3.770
368 H ARG 49 H ARG 49 2.013 -4.434 -7.350
369 HA ARG 49 HA ARG 49 3.789 -5.939 -9.184
370 1HB ARG 49 2HB ARG 49 2.541 -7.691 -7.997
371 2HB ARG 49 1HB ARG 49 1.020 -6.906 -8.422
372 1HG ARG 49 2HG ARG 49 1.303 -7.310 -10.732
373 2HG ARG 49 1HG ARG 49 3.018 -7.666 -10.546
374 1HD ARG 49 2HD ARG 49 1.843 -9.568 -8.928
375 2HD ARG 49 1HD ARG 49 0.694 -9.440 -10.253
376 HE ARG 49 HE ARG 49 3.116 -10.840 -10.414
377 1HH1 ARG 49 1HH2 ARG 49 1.613 -8.197 -12.052
378 2HH1 ARG 49 2HH2 ARG 49 2.499 -8.441 -13.518
379 1HH2 ARG 49 1HH1 ARG 49 4.265 -11.168 -12.318
380 2HH2 ARG 49 2HH1 ARG 49 3.994 -10.120 -13.671
381 H LYS 50 H LYS 50 3.469 -5.371 -11.281
382 HA LYS 50 HA LYS 50 2.704 -4.075 -13.067
383 1HB LYS 50 2HB LYS 50 0.240 -5.300 -11.854
384 2HB LYS 50 1HB LYS 50 0.071 -4.163 -13.192
385 1HG LYS 50 2HG LYS 50 2.067 -6.391 -13.449
386 2HG LYS 50 1HG LYS 50 0.355 -6.763 -13.654
387 1HD LYS 50 2HD LYS 50 0.175 -5.002 -15.375
388 2HD LYS 50 1HD LYS 50 1.889 -4.637 -15.179
389 1HE LYS 50 2HE LYS 50 2.470 -6.925 -15.872
390 2HE LYS 50 1HE LYS 50 0.759 -7.317 -16.040
391 1HZ LYS 50 1HZ LYS 50 2.440 -6.139 -17.923
392 2HZ LYS 50 2HZ LYS 50 1.305 -4.960 -17.467
393 3HZ LYS 50 3HZ LYS 50 0.781 -6.462 -18.065
394 H GLY 51 H GLY 51 2.993 -2.853 -10.316
395 1HA GLY 51 2HA GLY 51 2.861 -0.569 -9.685
396 2HA GLY 51 1HA GLY 51 1.802 -0.290 -11.063
397 H LEU 52 H LEU 52 1.263 -2.854 -8.782
398 HA LEU 52 HA LEU 52 -0.907 -1.314 -7.463
399 1HB LEU 52 2HB LEU 52 -1.198 -3.859 -9.039
400 2HB LEU 52 1HB LEU 52 -2.290 -3.522 -7.700
401 HG LEU 52 HG LEU 52 -1.807 -1.707 -10.080
402 1HD1 LEU 52 1HD1 LEU 52 -3.052 -3.545 -10.883
403 2HD1 LEU 52 2HD1 LEU 52 -4.289 -2.358 -10.461
404 3HD1 LEU 52 3HD1 LEU 52 -3.952 -3.707 -9.374
405 1HD2 LEU 52 1HD2 LEU 52 -4.130 -0.878 -8.897
406 2HD2 LEU 52 2HD2 LEU 52 -2.553 -0.167 -8.559
407 3HD2 LEU 52 3HD2 LEU 52 -3.213 -1.396 -7.479
408 H ALA 53 H ALA 53 -1.252 -1.940 -5.343
409 HA ALA 53 HA ALA 53 0.902 -3.459 -4.116
410 1HB ALA 53 1HB ALA 53 -0.435 -3.052 -2.004
411 2HB ALA 53 2HB ALA 53 -1.625 -2.222 -3.015
412 3HB ALA 53 3HB ALA 53 0.019 -1.590 -2.888
413 H TYR 54 H TYR 54 0.707 -5.384 -2.916
414 HA TYR 54 HA TYR 54 -1.813 -6.880 -3.003
415 1HB TYR 54 2HB TYR 54 0.668 -7.727 -4.503
416 2HB TYR 54 1HB TYR 54 -0.561 -8.875 -3.991
417 HD1 TYR 54 1HD TYR 54 0.355 -6.369 -6.392
418 HD2 TYR 54 2HD TYR 54 -2.960 -8.519 -4.727
419 HE1 TYR 54 1HE TYR 54 -1.008 -5.753 -8.331
420 HE2 TYR 54 2HE TYR 54 -4.346 -7.877 -6.704
421 HH TYR 54 HH TYR 54 -4.427 -6.722 -8.589
422 H CYS 55 H CYS 55 -1.915 -8.225 -1.178
423 HA CYS 55 HA CYS 55 0.013 -7.881 0.868
424 1HB CYS 55 2HB CYS 55 -1.781 -10.311 0.469
425 2HB CYS 55 1HB CYS 55 -1.009 -9.832 1.977
426 H GLU 56 H GLU 56 1.261 -9.931 1.775
427 HA GLU 56 HA GLU 56 3.274 -10.710 -0.088
428 1HB GLU 56 2HB GLU 56 3.414 -10.805 2.462
429 2HB GLU 56 1HB GLU 56 2.467 -12.281 2.375
430 1HG GLU 56 2HG GLU 56 4.157 -13.445 1.209
431 2HG GLU 56 1HG GLU 56 4.997 -11.961 0.762
432 H THR 57 H THR 57 0.256 -12.236 0.891
433 HA THR 57 HA THR 57 0.825 -14.678 -0.624
434 HB THR 57 HB THR 57 -1.631 -13.782 0.894
435 HG1 THR 57 1HG THR 57 -0.116 -15.948 1.673
436 1HG2 THR 57 1HG2 THR 57 -2.382 -15.330 -0.758
437 2HG2 THR 57 2HG2 THR 57 -2.179 -16.273 0.720
438 3HG2 THR 57 3HG2 THR 57 -0.957 -16.349 -0.551
439 H HIS 58 H HIS 58 -1.470 -11.947 -0.950
440 HA HIS 58 HA HIS 58 -2.673 -13.076 -3.285
441 1HB HIS 58 2HB HIS 58 -2.574 -10.225 -2.288
442 2HB HIS 58 1HB HIS 58 -3.555 -10.761 -3.648
443 HD2 HIS 58 2HD HIS 58 -4.632 -13.608 -2.311
444 HE1 HIS 58 1HE HIS 58 -6.204 -11.162 0.745
445 HE2 HIS 58 2HE HIS 58 -6.301 -13.463 -0.317
446 H TYR 59 H TYR 59 -0.038 -10.752 -2.788
447 HA TYR 59 HA TYR 59 0.510 -10.104 -5.461
448 1HB TYR 59 2HB TYR 59 1.779 -9.127 -3.625
449 2HB TYR 59 1HB TYR 59 2.361 -10.699 -3.126
450 HD1 TYR 59 1HD TYR 59 2.061 -9.545 -6.645
451 HD2 TYR 59 2HD TYR 59 4.712 -10.356 -3.364
452 HE1 TYR 59 1HE TYR 59 3.981 -9.336 -8.140
453 HE2 TYR 59 2HE TYR 59 6.653 -10.123 -4.884
454 HH TYR 59 HH TYR 59 6.442 -10.262 -8.153
455 H ASN 60 H ASN 60 1.824 -12.692 -3.470
456 HA ASN 60 HA ASN 60 3.064 -14.051 -5.633
457 1HB ASN 60 2HB ASN 60 2.271 -14.896 -2.851
458 2HB ASN 60 1HB ASN 60 2.986 -16.042 -3.984
459 1HD2 ASN 60 1HD2 ASN 60 3.649 -13.230 -1.975
460 2HD2 ASN 60 2HD2 ASN 60 5.325 -13.200 -2.242
461 H GLN 61 H GLN 61 -0.072 -14.532 -3.994
462 HA GLN 61 HA GLN 61 -0.925 -16.800 -5.475
463 1HB GLN 61 2HB GLN 61 -2.196 -15.524 -3.585
464 2HB GLN 61 1HB GLN 61 -2.801 -14.505 -4.892
465 1HG GLN 61 2HG GLN 61 -3.772 -16.418 -6.014
466 2HG GLN 61 1HG GLN 61 -3.039 -17.524 -4.853
467 1HE2 GLN 61 1HE2 GLN 61 -3.890 -17.482 -2.611
468 2HE2 GLN 61 2HE2 GLN 61 -5.437 -16.858 -2.296
469 H LEU 62 H LEU 62 -0.885 -13.393 -6.212
470 HA LEU 62 HA LEU 62 -2.127 -13.612 -8.815
471 1HB LEU 62 2HB LEU 62 -0.686 -11.513 -7.253
472 2HB LEU 62 1HB LEU 62 -0.724 -11.312 -8.996
473 HG LEU 62 HG LEU 62 -3.299 -11.800 -8.700
474 1HD1 LEU 62 1HD1 LEU 62 -2.537 -10.696 -5.987
475 2HD1 LEU 62 2HD1 LEU 62 -3.125 -12.335 -6.284
476 3HD1 LEU 62 3HD1 LEU 62 -4.177 -10.952 -6.578
477 1HD2 LEU 62 1HD2 LEU 62 -2.407 -9.709 -9.554
478 2HD2 LEU 62 2HD2 LEU 62 -1.945 -9.210 -7.927
479 3HD2 LEU 62 3HD2 LEU 62 -3.651 -9.355 -8.356
480 H PHE 63 H PHE 63 1.189 -13.531 -7.611
481 HA PHE 63 HA PHE 63 2.123 -14.845 -10.078
482 1HB PHE 63 2HB PHE 63 2.708 -12.011 -9.337
483 2HB PHE 63 1HB PHE 63 4.015 -12.954 -10.046
484 HD1 PHE 63 1HD PHE 63 0.612 -11.637 -10.572
485 HD2 PHE 63 2HD PHE 63 3.943 -13.660 -12.365
486 HE1 PHE 63 1HE PHE 63 -0.401 -11.309 -12.815
487 HE2 PHE 63 2HE PHE 63 2.937 -13.334 -14.610
488 HZ PHE 63 HZ PHE 63 0.764 -12.159 -14.835
489 H GLY 64 H GLY 64 4.057 -12.924 -7.882
490 1HA GLY 64 2HA GLY 64 5.363 -13.646 -6.009
491 2HA GLY 64 1HA GLY 64 4.896 -15.312 -6.351
492 H ASP 65 H ASP 65 6.118 -13.115 -8.803
493 HA ASP 65 HA ASP 65 7.995 -13.316 -10.202
494 1HB ASP 65 2HB ASP 65 9.016 -12.646 -7.960
495 2HB ASP 65 1HB ASP 65 9.384 -14.355 -7.722
496 H VAL 66 H VAL 66 6.229 -15.561 -10.193
497 HA VAL 66 HA VAL 66 7.998 -17.566 -11.320
498 HB VAL 66 HB VAL 66 8.284 -18.118 -8.942
499 1HG1 VAL 66 1HG1 VAL 66 5.301 -18.620 -8.864
500 2HG1 VAL 66 2HG1 VAL 66 6.025 -17.110 -8.307
501 3HG1 VAL 66 3HG1 VAL 66 6.436 -18.631 -7.513
502 1HG2 VAL 66 1HG2 VAL 66 7.756 -20.445 -9.097
503 2HG2 VAL 66 2HG2 VAL 66 8.040 -19.911 -10.754
504 3HG2 VAL 66 3HG2 VAL 66 6.392 -20.135 -10.170
Start of MODEL 10
1 1H GLY 1 1HT GLY 1 10.684 27.969 3.806
2 2H GLY 1 2HT GLY 1 10.702 26.276 3.955
3 3H GLY 1 3HT GLY 1 10.783 27.256 5.341
4 1HA GLY 1 2HA GLY 1 8.591 26.776 5.448
5 2HA GLY 1 1HA GLY 1 8.515 28.161 4.357
6 H SER 2 H SER 2 7.360 27.787 2.538
7 HA SER 2 HA SER 2 6.264 26.615 0.823
8 1HB SER 2 2HB SER 2 8.746 26.318 0.249
9 2HB SER 2 1HB SER 2 8.612 24.713 0.962
10 HG SER 2 HG SER 2 7.983 24.250 -1.010
11 H MET 3 H MET 3 4.461 25.733 1.849
12 HA MET 3 HA MET 3 4.525 23.549 3.688
13 1HB MET 3 2HB MET 3 2.597 25.220 3.108
14 2HB MET 3 1HB MET 3 2.185 24.050 1.855
15 1HG MET 3 2HG MET 3 2.342 22.297 3.793
16 2HG MET 3 1HG MET 3 2.161 23.701 4.843
17 1HE MET 3 1HE MET 3 -1.423 22.987 5.295
18 2HE MET 3 2HE MET 3 -0.005 23.860 5.872
19 3HE MET 3 3HE MET 3 0.081 22.117 5.623
20 H GLY 4 H GLY 4 2.357 22.096 2.006
21 1HA GLY 4 2HA GLY 4 2.961 20.892 -0.283
22 2HA GLY 4 1HA GLY 4 4.283 20.252 0.695
23 H VAL 5 H VAL 5 3.622 19.102 2.727
24 HA VAL 5 HA VAL 5 2.433 17.371 3.756
25 HB VAL 5 HB VAL 5 0.316 19.270 2.827
26 1HG1 VAL 5 1HG1 VAL 5 -0.905 17.327 2.332
27 2HG1 VAL 5 2HG1 VAL 5 -1.324 17.643 4.018
28 3HG1 VAL 5 3HG1 VAL 5 -0.141 16.404 3.629
29 1HG2 VAL 5 1HG2 VAL 5 -0.272 19.082 5.285
30 2HG2 VAL 5 2HG2 VAL 5 1.337 19.732 4.953
31 3HG2 VAL 5 3HG2 VAL 5 1.152 18.054 5.471
32 HA PRO 6 HA PRO 6 1.933 14.562 0.343
33 1HB PRO 6 2HB PRO 6 1.536 12.353 2.072
34 2HB PRO 6 1HB PRO 6 3.076 12.872 1.380
35 1HG PRO 6 2HG PRO 6 2.232 13.052 4.141
36 2HG PRO 6 1HG PRO 6 3.790 13.490 3.438
37 1HD PRO 6 2HD PRO 6 1.653 15.244 4.316
38 2HD PRO 6 1HD PRO 6 3.266 15.668 3.739
39 H ILE 7 H ILE 7 0.240 13.063 -0.365
40 HA ILE 7 HA ILE 7 -2.308 13.391 1.122
41 HB ILE 7 HB ILE 7 -1.773 14.131 -1.749
42 1HG1 ILE 7 2HG1 ILE 7 -3.323 15.417 0.501
43 2HG1 ILE 7 1HG1 ILE 7 -1.646 15.781 0.151
44 1HG2 ILE 7 1HG2 ILE 7 -3.657 12.696 -1.967
45 2HG2 ILE 7 2HG2 ILE 7 -4.350 14.311 -1.820
46 3HG2 ILE 7 3HG2 ILE 7 -4.335 13.227 -0.429
47 1HD1 ILE 7 1HD1 ILE 7 -2.180 16.844 -1.868
48 2HD1 ILE 7 2HD1 ILE 7 -3.512 17.323 -0.811
49 3HD1 ILE 7 3HD1 ILE 7 -3.741 16.031 -1.993
50 H CYS 8 H CYS 8 -3.093 11.481 1.503
51 HA CYS 8 HA CYS 8 -2.049 9.079 0.509
52 1HB CYS 8 2HB CYS 8 -3.281 9.054 2.556
53 2HB CYS 8 1HB CYS 8 -4.713 9.708 1.771
54 H GLY 9 H GLY 9 -2.136 8.308 -1.479
55 1HA GLY 9 2HA GLY 9 -3.845 9.327 -3.520
56 2HA GLY 9 1HA GLY 9 -2.896 7.849 -3.650
57 H ALA 10 H ALA 10 -4.636 7.459 -0.912
58 HA ALA 10 HA ALA 10 -6.558 5.700 -2.273
59 1HB ALA 10 1HB ALA 10 -6.627 6.147 0.684
60 2HB ALA 10 2HB ALA 10 -5.214 5.344 0.004
61 3HB ALA 10 3HB ALA 10 -6.816 4.650 -0.227
62 H CYS 11 H CYS 11 -6.859 8.214 0.240
63 HA CYS 11 HA CYS 11 -9.641 8.715 -0.702
64 1HB CYS 11 2HB CYS 11 -9.619 10.182 1.456
65 2HB CYS 11 1HB CYS 11 -9.663 8.427 1.633
66 H ARG 12 H ARG 12 -6.566 9.853 -1.258
67 HA ARG 12 HA ARG 12 -5.753 11.825 -2.206
68 1HB ARG 12 2HB ARG 12 -8.637 12.604 -2.678
69 2HB ARG 12 1HB ARG 12 -7.222 13.036 -3.634
70 1HG ARG 12 2HG ARG 12 -8.545 10.325 -3.410
71 2HG ARG 12 1HG ARG 12 -8.363 11.310 -4.855
72 1HD ARG 12 2HD ARG 12 -6.226 9.819 -3.335
73 2HD ARG 12 1HD ARG 12 -6.685 9.618 -5.022
74 HE ARG 12 HE ARG 12 -4.678 11.381 -4.057
75 1HH1 ARG 12 1HH2 ARG 12 -7.463 11.473 -6.099
76 2HH1 ARG 12 2HH2 ARG 12 -6.949 12.897 -6.939
77 1HH2 ARG 12 1HH1 ARG 12 -4.002 13.218 -5.152
78 2HH2 ARG 12 2HH1 ARG 12 -4.995 13.879 -6.408
79 H ARG 13 H ARG 13 -6.149 11.757 0.593
80 HA ARG 13 HA ARG 13 -6.986 14.573 1.146
81 1HB ARG 13 2HB ARG 13 -7.237 12.049 2.766
82 2HB ARG 13 1HB ARG 13 -7.150 13.609 3.583
83 1HG ARG 13 2HG ARG 13 -9.073 13.242 1.300
84 2HG ARG 13 1HG ARG 13 -9.493 12.628 2.895
85 1HD ARG 13 2HD ARG 13 -8.748 15.492 2.234
86 2HD ARG 13 1HD ARG 13 -10.360 14.902 2.632
87 HE ARG 13 HE ARG 13 -8.828 14.148 4.812
88 1HH1 ARG 13 1HH2 ARG 13 -9.432 17.056 3.062
89 2HH1 ARG 13 2HH2 ARG 13 -9.218 18.086 4.438
90 1HH2 ARG 13 1HH1 ARG 13 -8.545 15.475 6.619
91 2HH2 ARG 13 2HH1 ARG 13 -8.716 17.191 6.452
92 HA PRO 14 HA PRO 14 -2.822 15.405 2.218
93 1HB PRO 14 2HB PRO 14 -3.484 16.978 4.545
94 2HB PRO 14 1HB PRO 14 -2.996 17.541 2.944
95 1HG PRO 14 2HG PRO 14 -5.594 17.722 4.095
96 2HG PRO 14 1HG PRO 14 -5.099 18.177 2.457
97 1HD PRO 14 2HD PRO 14 -6.691 15.883 3.271
98 2HD PRO 14 1HD PRO 14 -6.278 16.414 1.629
99 H ILE 15 H ILE 15 -1.651 13.747 3.063
100 HA ILE 15 HA ILE 15 -2.525 12.293 5.421
101 HB ILE 15 HB ILE 15 0.147 12.288 3.975
102 1HG1 ILE 15 2HG1 ILE 15 -1.826 10.043 3.919
103 2HG1 ILE 15 1HG1 ILE 15 -2.176 11.470 2.948
104 1HG2 ILE 15 1HG2 ILE 15 -0.946 10.701 6.286
105 2HG2 ILE 15 2HG2 ILE 15 0.662 11.392 6.086
106 3HG2 ILE 15 3HG2 ILE 15 0.197 9.953 5.171
107 1HD1 ILE 15 1HD1 ILE 15 0.587 10.340 2.794
108 2HD1 ILE 15 2HD1 ILE 15 -0.370 11.135 1.549
109 3HD1 ILE 15 3HD1 ILE 15 -0.708 9.459 1.980
110 H GLU 16 H GLU 16 -1.292 12.228 7.504
111 HA GLU 16 HA GLU 16 0.513 14.487 8.032
112 1HB GLU 16 2HB GLU 16 -1.107 15.269 9.933
113 2HB GLU 16 1HB GLU 16 -1.398 15.808 8.280
114 1HG GLU 16 2HG GLU 16 -3.470 14.985 9.396
115 2HG GLU 16 1HG GLU 16 -3.062 14.057 7.954
116 H GLY 17 H GLY 17 1.355 12.060 8.383
117 1HA GLY 17 2HA GLY 17 1.947 11.832 11.175
118 2HA GLY 17 1HA GLY 17 0.757 10.607 10.724
119 H ARG 18 H ARG 18 1.430 8.849 9.617
120 HA ARG 18 HA ARG 18 4.298 8.777 8.759
121 1HB ARG 18 2HB ARG 18 2.456 6.625 9.816
122 2HB ARG 18 1HB ARG 18 3.933 6.240 8.929
123 1HG ARG 18 2HG ARG 18 5.169 7.731 10.577
124 2HG ARG 18 1HG ARG 18 3.689 7.748 11.534
125 1HD ARG 18 2HD ARG 18 4.002 5.061 11.018
126 2HD ARG 18 1HD ARG 18 5.673 5.593 11.180
127 HE ARG 18 HE ARG 18 3.996 5.112 13.355
128 1HH1 ARG 18 1HH2 ARG 18 5.727 7.821 12.082
129 2HH1 ARG 18 2HH2 ARG 18 5.839 8.624 13.609
130 1HH2 ARG 18 1HH1 ARG 18 4.147 6.150 15.344
131 2HH2 ARG 18 2HH1 ARG 18 4.950 7.681 15.452
132 H VAL 19 H VAL 19 4.502 8.796 6.606
133 HA VAL 19 HA VAL 19 2.114 8.202 4.942
134 HB VAL 19 HB VAL 19 4.769 9.445 4.173
135 1HG1 VAL 19 1HG1 VAL 19 2.944 10.342 2.376
136 2HG1 VAL 19 2HG1 VAL 19 2.281 8.741 2.700
137 3HG1 VAL 19 3HG1 VAL 19 3.933 8.906 2.104
138 1HG2 VAL 19 1HG2 VAL 19 2.185 10.946 4.443
139 2HG2 VAL 19 2HG2 VAL 19 3.838 11.547 4.558
140 3HG2 VAL 19 3HG2 VAL 19 3.142 10.626 5.888
141 H VAL 20 H VAL 20 2.330 6.930 2.996
142 HA VAL 20 HA VAL 20 4.548 4.922 3.112
143 HB VAL 20 HB VAL 20 1.605 4.570 2.557
144 1HG1 VAL 20 1HG1 VAL 20 2.487 2.157 1.879
145 2HG1 VAL 20 2HG1 VAL 20 3.938 3.055 1.427
146 3HG1 VAL 20 3HG1 VAL 20 2.390 3.442 0.675
147 1HG2 VAL 20 1HG2 VAL 20 1.909 2.666 4.096
148 2HG2 VAL 20 2HG2 VAL 20 2.455 4.169 4.834
149 3HG2 VAL 20 3HG2 VAL 20 3.633 3.024 4.198
150 H ASN 21 H ASN 21 5.850 5.334 1.391
151 HA ASN 21 HA ASN 21 4.727 6.744 -0.941
152 1HB ASN 21 2HB ASN 21 7.525 5.946 -0.158
153 2HB ASN 21 1HB ASN 21 7.148 6.705 -1.701
154 1HD2 ASN 21 1HD2 ASN 21 5.341 7.536 1.219
155 2HD2 ASN 21 2HD2 ASN 21 5.976 9.101 1.385
156 H ALA 22 H ALA 22 3.642 5.408 -2.294
157 HA ALA 22 HA ALA 22 5.134 3.112 -3.442
158 1HB ALA 22 1HB ALA 22 3.225 1.615 -3.198
159 2HB ALA 22 2HB ALA 22 2.281 2.900 -2.441
160 3HB ALA 22 3HB ALA 22 3.679 2.223 -1.604
161 H MET 23 H MET 23 4.152 2.445 -5.542
162 HA MET 23 HA MET 23 3.279 3.030 -7.642
163 1HB MET 23 2HB MET 23 1.293 4.725 -6.122
164 2HB MET 23 1HB MET 23 1.063 3.919 -7.672
165 1HG MET 23 2HG MET 23 1.572 2.404 -5.098
166 2HG MET 23 1HG MET 23 -0.044 2.783 -5.686
167 1HE MET 23 1HE MET 23 0.374 -0.251 -5.309
168 2HE MET 23 2HE MET 23 2.071 0.204 -5.163
169 3HE MET 23 3HE MET 23 1.592 -1.020 -6.339
170 H GLY 24 H GLY 24 5.061 4.807 -5.910
171 1HA GLY 24 2HA GLY 24 6.280 6.788 -6.328
172 2HA GLY 24 1HA GLY 24 5.398 6.925 -7.852
173 H LYS 25 H LYS 25 3.590 6.477 -4.980
174 HA LYS 25 HA LYS 25 2.812 9.373 -4.942
175 1HB LYS 25 2HB LYS 25 1.061 6.914 -4.632
176 2HB LYS 25 1HB LYS 25 0.510 8.567 -4.398
177 1HG LYS 25 2HG LYS 25 1.830 8.508 -6.919
178 2HG LYS 25 1HG LYS 25 0.774 7.097 -6.866
179 1HD LYS 25 2HD LYS 25 -1.098 8.601 -6.129
180 2HD LYS 25 1HD LYS 25 -0.028 9.980 -6.386
181 1HE LYS 25 2HE LYS 25 -0.696 7.942 -8.527
182 2HE LYS 25 1HE LYS 25 -1.531 9.485 -8.343
183 1HZ LYS 25 1HZ LYS 25 1.294 9.822 -8.321
184 2HZ LYS 25 2HZ LYS 25 0.132 10.542 -9.329
185 3HZ LYS 25 3HZ LYS 25 0.792 9.030 -9.734
186 H GLN 26 H GLN 26 0.980 8.928 -2.797
187 HA GLN 26 HA GLN 26 2.706 8.071 -0.524
188 1HB GLN 26 2HB GLN 26 1.295 10.711 -0.959
189 2HB GLN 26 1HB GLN 26 1.686 10.148 0.659
190 1HG GLN 26 2HG GLN 26 3.947 10.477 0.375
191 2HG GLN 26 1HG GLN 26 3.907 9.976 -1.310
192 1HE2 GLN 26 1HE2 GLN 26 1.483 12.286 -0.907
193 2HE2 GLN 26 2HE2 GLN 26 2.357 13.659 -1.383
194 H TRP 27 H TRP 27 1.404 7.059 1.135
195 HA TRP 27 HA TRP 27 -1.551 7.126 0.694
196 1HB TRP 27 2HB TRP 27 0.077 4.596 1.013
197 2HB TRP 27 1HB TRP 27 -1.664 4.695 0.781
198 HD1 TRP 27 HD TRP 27 1.647 5.272 -1.069
199 HE1 TRP 27 1HE TRP 27 1.178 5.270 -3.607
200 HE3 TRP 27 3HE TRP 27 -3.427 5.022 -1.004
201 HZ2 TRP 27 2HZ TRP 27 -1.079 5.178 -5.373
202 HZ3 TRP 27 3HZ TRP 27 -4.723 4.977 -3.104
203 HH2 TRP 27 HH TRP 27 -3.558 5.056 -5.294
204 H HIS 28 H HIS 28 -2.751 6.971 2.621
205 HA HIS 28 HA HIS 28 -1.423 7.466 5.110
206 1HB HIS 28 2HB HIS 28 -4.164 6.369 4.444
207 2HB HIS 28 1HB HIS 28 -3.610 6.461 6.111
208 HD2 HIS 28 2HD HIS 28 -2.670 9.301 6.706
209 HE1 HIS 28 1HE HIS 28 -5.622 10.862 4.119
210 HE2 HIS 28 2HE HIS 28 -3.991 11.436 5.981
211 H VAL 29 H VAL 29 -0.590 5.986 6.613
212 HA VAL 29 HA VAL 29 0.314 3.471 5.701
213 HB VAL 29 HB VAL 29 -0.004 4.715 8.425
214 1HG1 VAL 29 1HG1 VAL 29 1.388 2.690 9.206
215 2HG1 VAL 29 2HG1 VAL 29 0.801 1.885 7.751
216 3HG1 VAL 29 3HG1 VAL 29 -0.343 2.440 8.975
217 1HG2 VAL 29 1HG2 VAL 29 1.804 5.305 6.682
218 2HG2 VAL 29 2HG2 VAL 29 2.476 3.708 7.029
219 3HG2 VAL 29 3HG2 VAL 29 2.351 4.907 8.310
220 H GLU 30 H GLU 30 -2.757 4.433 6.948
221 HA GLU 30 HA GLU 30 -3.544 1.648 7.518
222 1HB GLU 30 2HB GLU 30 -5.735 2.778 8.192
223 2HB GLU 30 1HB GLU 30 -4.321 3.176 9.170
224 1HG GLU 30 2HG GLU 30 -4.040 5.282 8.087
225 2HG GLU 30 1HG GLU 30 -5.165 4.851 6.799
226 H HIS 31 H HIS 31 -3.749 3.946 4.944
227 HA HIS 31 HA HIS 31 -6.044 2.463 3.737
228 1HB HIS 31 2HB HIS 31 -4.734 5.070 2.901
229 2HB HIS 31 1HB HIS 31 -6.093 4.313 2.079
230 HD2 HIS 31 2HD HIS 31 -7.459 3.474 5.183
231 HE1 HIS 31 1HE HIS 31 -8.053 7.647 5.309
232 HE2 HIS 31 2HE HIS 31 -8.741 5.432 6.330
233 H PHE 32 H PHE 32 -2.666 2.479 3.651
234 HA PHE 32 HA PHE 32 -2.480 1.751 0.813
235 1HB PHE 32 2HB PHE 32 -0.556 2.811 2.147
236 2HB PHE 32 1HB PHE 32 -0.360 1.232 2.911
237 HD1 PHE 32 1HD PHE 32 1.226 -0.175 1.930
238 HD2 PHE 32 2HD PHE 32 -0.955 2.570 -0.557
239 HE1 PHE 32 1HE PHE 32 2.431 -1.008 -0.069
240 HE2 PHE 32 2HE PHE 32 0.250 1.730 -2.543
241 HZ PHE 32 HZ PHE 32 1.946 -0.062 -2.302
242 H VAL 33 H VAL 33 -3.544 -0.087 0.355
243 HA VAL 33 HA VAL 33 -3.007 -2.473 2.070
244 HB VAL 33 HB VAL 33 -5.322 -3.152 1.703
245 1HG1 VAL 33 1HG1 VAL 33 -6.256 -0.678 2.602
246 2HG1 VAL 33 2HG1 VAL 33 -4.562 -0.685 3.086
247 3HG1 VAL 33 3HG1 VAL 33 -5.637 -1.981 3.611
248 1HG2 VAL 33 1HG2 VAL 33 -6.871 -1.479 0.598
249 2HG2 VAL 33 2HG2 VAL 33 -5.710 -2.234 -0.497
250 3HG2 VAL 33 3HG2 VAL 33 -5.435 -0.591 0.087
251 H CYS 34 H CYS 34 -3.869 -4.461 0.890
252 HA CYS 34 HA CYS 34 -2.345 -4.861 -1.512
253 1HB CYS 34 2HB CYS 34 -2.673 -6.762 -0.206
254 2HB CYS 34 1HB CYS 34 -4.376 -6.429 0.051
255 H ALA 35 H ALA 35 -3.107 -5.133 -3.657
256 HA ALA 35 HA ALA 35 -5.609 -3.671 -4.247
257 1HB ALA 35 1HB ALA 35 -4.765 -3.463 -6.450
258 2HB ALA 35 2HB ALA 35 -3.699 -4.854 -6.259
259 3HB ALA 35 3HB ALA 35 -3.329 -3.342 -5.428
260 H LYS 36 H LYS 36 -5.652 -6.381 -3.056
261 HA LYS 36 HA LYS 36 -7.322 -7.707 -5.143
262 1HB LYS 36 2HB LYS 36 -4.988 -8.724 -5.002
263 2HB LYS 36 1HB LYS 36 -5.400 -9.236 -3.375
264 1HG LYS 36 2HG LYS 36 -5.896 -11.090 -4.786
265 2HG LYS 36 1HG LYS 36 -7.443 -10.361 -4.376
266 1HD LYS 36 2HD LYS 36 -6.403 -9.078 -6.748
267 2HD LYS 36 1HD LYS 36 -6.377 -10.825 -6.979
268 1HE LYS 36 2HE LYS 36 -8.733 -10.992 -6.428
269 2HE LYS 36 1HE LYS 36 -8.794 -9.281 -6.005
270 1HZ LYS 36 1HZ LYS 36 -8.144 -8.776 -8.312
271 2HZ LYS 36 2HZ LYS 36 -9.639 -9.576 -8.209
272 3HZ LYS 36 3HZ LYS 36 -8.249 -10.426 -8.688
273 H CYS 37 H CYS 37 -6.508 -7.258 -1.746
274 HA CYS 37 HA CYS 37 -9.216 -8.334 -1.033
275 1HB CYS 37 2HB CYS 37 -8.248 -9.315 0.986
276 2HB CYS 37 1HB CYS 37 -7.389 -9.918 -0.430
277 H GLU 38 H GLU 38 -6.837 -5.853 -0.686
278 HA GLU 38 HA GLU 38 -7.031 -3.752 0.268
279 1HB GLU 38 2HB GLU 38 -9.728 -4.479 1.401
280 2HB GLU 38 1HB GLU 38 -9.125 -2.896 0.918
281 1HG GLU 38 2HG GLU 38 -8.927 -4.086 -1.463
282 2HG GLU 38 1HG GLU 38 -10.192 -5.114 -0.787
283 H LYS 39 H LYS 39 -5.634 -5.695 1.608
284 HA LYS 39 HA LYS 39 -6.440 -5.403 4.458
285 1HB LYS 39 2HB LYS 39 -5.766 -7.672 3.391
286 2HB LYS 39 1HB LYS 39 -4.118 -7.052 3.464
287 1HG LYS 39 2HG LYS 39 -5.762 -6.805 5.947
288 2HG LYS 39 1HG LYS 39 -5.234 -8.417 5.500
289 1HD LYS 39 2HD LYS 39 -2.895 -7.620 5.371
290 2HD LYS 39 1HD LYS 39 -3.430 -6.007 5.849
291 1HE LYS 39 2HE LYS 39 -3.628 -8.549 7.487
292 2HE LYS 39 1HE LYS 39 -2.622 -7.142 7.829
293 1HZ LYS 39 1HZ LYS 39 -5.033 -6.020 7.628
294 2HZ LYS 39 2HZ LYS 39 -4.358 -6.549 9.094
295 3HZ LYS 39 3HZ LYS 39 -5.459 -7.536 8.258
296 HA PRO 40 HA PRO 40 -3.384 -2.109 4.195
297 1HB PRO 40 2HB PRO 40 -3.852 -1.204 6.795
298 2HB PRO 40 1HB PRO 40 -4.672 -0.625 5.351
299 1HG PRO 40 2HG PRO 40 -5.714 -2.340 7.480
300 2HG PRO 40 1HG PRO 40 -6.607 -1.475 6.230
301 1HD PRO 40 2HD PRO 40 -6.060 -4.282 6.338
302 2HD PRO 40 1HD PRO 40 -6.816 -3.401 4.999
303 H PHE 41 H PHE 41 -1.292 -2.124 4.699
304 HA PHE 41 HA PHE 41 -0.331 -4.131 6.681
305 1HB PHE 41 2HB PHE 41 1.579 -2.450 5.123
306 2HB PHE 41 1HB PHE 41 1.673 -4.156 5.543
307 HD1 PHE 41 1HD PHE 41 0.012 -1.709 3.289
308 HD2 PHE 41 2HD PHE 41 0.794 -5.844 4.130
309 HE1 PHE 41 1HE PHE 41 -0.898 -2.335 1.064
310 HE2 PHE 41 2HE PHE 41 -0.112 -6.465 1.920
311 HZ PHE 41 HZ PHE 41 -0.954 -4.724 0.378
312 H LEU 42 H LEU 42 -1.524 -2.237 8.070
313 HA LEU 42 HA LEU 42 -0.422 0.188 8.722
314 1HB LEU 42 2HB LEU 42 -1.506 -2.008 10.477
315 2HB LEU 42 1HB LEU 42 -0.917 -0.511 11.186
316 HG LEU 42 HG LEU 42 -2.488 0.510 9.212
317 1HD1 LEU 42 1HD1 LEU 42 -4.420 -0.777 8.829
318 2HD1 LEU 42 2HD1 LEU 42 -4.060 -1.879 10.157
319 3HD1 LEU 42 3HD1 LEU 42 -3.103 -1.942 8.680
320 1HD2 LEU 42 1HD2 LEU 42 -2.739 1.223 11.483
321 2HD2 LEU 42 2HD2 LEU 42 -3.287 -0.376 11.990
322 3HD2 LEU 42 3HD2 LEU 42 -4.318 0.627 10.965
323 H GLY 43 H GLY 43 0.680 -2.880 10.155
324 1HA GLY 43 2HA GLY 43 3.386 -1.635 10.481
325 2HA GLY 43 1HA GLY 43 2.665 -2.620 11.750
326 H HIS 44 H HIS 44 2.131 -3.539 8.434
327 HA HIS 44 HA HIS 44 4.058 -5.812 8.841
328 1HB HIS 44 2HB HIS 44 1.772 -6.018 6.913
329 2HB HIS 44 1HB HIS 44 2.568 -7.285 7.846
330 HD1 HIS 44 1HD HIS 44 1.145 -8.125 9.706
331 HD2 HIS 44 2HD HIS 44 0.414 -4.106 8.902
332 HE1 HIS 44 1HE HIS 44 -0.664 -7.392 11.322
333 H ARG 45 H ARG 45 4.021 -6.801 6.261
334 HA ARG 45 HA ARG 45 5.424 -4.614 4.778
335 1HB ARG 45 2HB ARG 45 6.140 -6.925 3.485
336 2HB ARG 45 1HB ARG 45 7.070 -6.202 4.790
337 1HG ARG 45 2HG ARG 45 5.923 -7.606 6.431
338 2HG ARG 45 1HG ARG 45 4.889 -8.269 5.174
339 1HD ARG 45 2HD ARG 45 6.440 -9.813 4.643
340 2HD ARG 45 1HD ARG 45 7.642 -8.564 4.356
341 HE ARG 45 HE ARG 45 7.683 -10.357 6.525
342 1HH1 ARG 45 1HH2 ARG 45 7.665 -6.935 6.067
343 2HH1 ARG 45 2HH2 ARG 45 8.440 -6.603 7.577
344 1HH2 ARG 45 1HH1 ARG 45 8.694 -9.935 8.485
345 2HH2 ARG 45 2HH1 ARG 45 9.023 -8.298 8.944
346 H HIS 46 H HIS 46 5.071 -4.471 2.485
347 HA HIS 46 HA HIS 46 2.507 -5.734 1.580
348 1HB HIS 46 2HB HIS 46 2.386 -3.693 0.031
349 2HB HIS 46 1HB HIS 46 2.039 -3.422 1.732
350 HD1 HIS 46 1HD HIS 46 3.957 -2.281 3.172
351 HD2 HIS 46 2HD HIS 46 4.687 -2.406 -0.932
352 HE1 HIS 46 1HE HIS 46 5.878 -0.688 2.737
353 H TYR 47 H TYR 47 2.415 -5.738 -0.885
354 HA TYR 47 HA TYR 47 5.094 -6.234 -2.088
355 1HB TYR 47 2HB TYR 47 2.771 -8.129 -2.411
356 2HB TYR 47 1HB TYR 47 4.462 -8.422 -2.771
357 HD1 TYR 47 1HD TYR 47 5.940 -9.261 -1.079
358 HD2 TYR 47 2HD TYR 47 2.111 -7.664 0.034
359 HE1 TYR 47 1HE TYR 47 6.303 -9.971 1.269
360 HE2 TYR 47 2HE TYR 47 2.485 -8.380 2.366
361 HH TYR 47 HH TYR 47 3.832 -9.438 3.764
362 H GLU 48 H GLU 48 5.220 -5.398 -4.137
363 HA GLU 48 HA GLU 48 2.731 -4.200 -5.266
364 1HB GLU 48 2HB GLU 48 5.667 -3.608 -5.563
365 2HB GLU 48 1HB GLU 48 4.492 -2.971 -6.714
366 1HG GLU 48 2HG GLU 48 3.370 -1.718 -5.057
367 2HG GLU 48 1HG GLU 48 4.107 -2.631 -3.741
368 H ARG 49 H ARG 49 2.118 -4.472 -7.378
369 HA ARG 49 HA ARG 49 3.692 -6.152 -9.201
370 1HB ARG 49 2HB ARG 49 2.329 -7.748 -7.764
371 2HB ARG 49 1HB ARG 49 0.886 -7.044 -8.485
372 1HG ARG 49 2HG ARG 49 2.966 -7.845 -10.431
373 2HG ARG 49 1HG ARG 49 2.233 -9.182 -9.554
374 1HD ARG 49 2HD ARG 49 -0.006 -8.353 -10.181
375 2HD ARG 49 1HD ARG 49 0.736 -7.046 -11.089
376 HE ARG 49 HE ARG 49 0.225 -9.580 -12.145
377 1HH1 ARG 49 1HH2 ARG 49 3.000 -7.553 -11.724
378 2HH1 ARG 49 2HH2 ARG 49 3.905 -8.335 -12.974
379 1HH2 ARG 49 1HH1 ARG 49 1.398 -10.564 -13.783
380 2HH2 ARG 49 2HH1 ARG 49 3.003 -10.022 -14.137
381 H LYS 50 H LYS 50 3.512 -5.137 -11.124
382 HA LYS 50 HA LYS 50 2.629 -3.924 -12.906
383 1HB LYS 50 2HB LYS 50 0.064 -4.986 -11.697
384 2HB LYS 50 1HB LYS 50 0.096 -4.020 -13.167
385 1HG LYS 50 2HG LYS 50 1.919 -6.394 -12.966
386 2HG LYS 50 1HG LYS 50 0.207 -6.666 -13.298
387 1HD LYS 50 2HD LYS 50 1.509 -4.521 -14.895
388 2HD LYS 50 1HD LYS 50 2.026 -6.168 -15.252
389 1HE LYS 50 2HE LYS 50 -0.854 -5.219 -15.196
390 2HE LYS 50 1HE LYS 50 0.097 -5.493 -16.656
391 1HZ LYS 50 1HZ LYS 50 -0.820 -7.476 -14.666
392 2HZ LYS 50 2HZ LYS 50 0.453 -7.815 -15.738
393 3HZ LYS 50 3HZ LYS 50 -1.096 -7.455 -16.339
394 H GLY 51 H GLY 51 3.123 -2.658 -10.270
395 1HA GLY 51 2HA GLY 51 2.908 -0.423 -9.524
396 2HA GLY 51 1HA GLY 51 1.866 -0.123 -10.915
397 H LEU 52 H LEU 52 1.334 -2.721 -8.686
398 HA LEU 52 HA LEU 52 -0.871 -1.244 -7.360
399 1HB LEU 52 2HB LEU 52 -1.113 -3.753 -9.005
400 2HB LEU 52 1HB LEU 52 -2.240 -3.437 -7.692
401 HG LEU 52 HG LEU 52 -1.672 -1.538 -9.980
402 1HD1 LEU 52 1HD1 LEU 52 -2.807 -3.384 -10.931
403 2HD1 LEU 52 2HD1 LEU 52 -4.089 -2.225 -10.570
404 3HD1 LEU 52 3HD1 LEU 52 -3.820 -3.605 -9.502
405 1HD2 LEU 52 1HD2 LEU 52 -4.095 -0.851 -8.865
406 2HD2 LEU 52 2HD2 LEU 52 -2.557 -0.082 -8.466
407 3HD2 LEU 52 3HD2 LEU 52 -3.188 -1.371 -7.440
408 H ALA 53 H ALA 53 -1.185 -1.911 -5.254
409 HA ALA 53 HA ALA 53 0.961 -3.500 -4.103
410 1HB ALA 53 1HB ALA 53 0.156 -1.684 -2.769
411 2HB ALA 53 2HB ALA 53 -0.393 -3.158 -1.963
412 3HB ALA 53 3HB ALA 53 -1.518 -2.216 -2.950
413 H TYR 54 H TYR 54 0.712 -5.440 -2.908
414 HA TYR 54 HA TYR 54 -1.821 -6.899 -3.071
415 1HB TYR 54 2HB TYR 54 0.672 -7.745 -4.547
416 2HB TYR 54 1HB TYR 54 -0.559 -8.898 -4.050
417 HD1 TYR 54 1HD TYR 54 0.341 -6.315 -6.397
418 HD2 TYR 54 2HD TYR 54 -2.917 -8.607 -4.822
419 HE1 TYR 54 1HE TYR 54 -1.023 -5.685 -8.334
420 HE2 TYR 54 2HE TYR 54 -4.314 -7.951 -6.788
421 HH TYR 54 HH TYR 54 -4.321 -6.951 -8.778
422 H CYS 55 H CYS 55 -1.944 -8.380 -1.345
423 HA CYS 55 HA CYS 55 -0.077 -8.062 0.770
424 1HB CYS 55 2HB CYS 55 -2.000 -10.344 0.207
425 2HB CYS 55 1HB CYS 55 -1.097 -10.173 1.708
426 H GLU 56 H GLU 56 1.074 -10.165 1.678
427 HA GLU 56 HA GLU 56 3.182 -10.896 -0.103
428 1HB GLU 56 2HB GLU 56 3.128 -11.052 2.476
429 2HB GLU 56 1HB GLU 56 2.291 -12.578 2.246
430 1HG GLU 56 2HG GLU 56 4.134 -13.550 1.107
431 2HG GLU 56 1HG GLU 56 4.919 -11.989 0.877
432 H THR 57 H THR 57 0.160 -12.489 0.775
433 HA THR 57 HA THR 57 0.769 -14.853 -0.841
434 HB THR 57 HB THR 57 -1.689 -14.055 0.728
435 HG1 THR 57 1HG THR 57 0.432 -15.881 1.171
436 1HG2 THR 57 1HG2 THR 57 -2.222 -16.541 0.428
437 2HG2 THR 57 2HG2 THR 57 -1.019 -16.534 -0.862
438 3HG2 THR 57 3HG2 THR 57 -2.454 -15.516 -0.988
439 H HIS 58 H HIS 58 -1.541 -12.126 -1.060
440 HA HIS 58 HA HIS 58 -2.759 -13.173 -3.428
441 1HB HIS 58 2HB HIS 58 -2.625 -10.315 -2.436
442 2HB HIS 58 1HB HIS 58 -3.682 -10.897 -3.716
443 HD2 HIS 58 2HD HIS 58 -4.705 -13.684 -2.292
444 HE1 HIS 58 1HE HIS 58 -6.040 -11.211 0.855
445 HE2 HIS 58 2HE HIS 58 -6.242 -13.511 -0.195
446 H TYR 59 H TYR 59 -0.137 -10.838 -2.880
447 HA TYR 59 HA TYR 59 0.432 -10.116 -5.507
448 1HB TYR 59 2HB TYR 59 1.723 -9.238 -3.652
449 2HB TYR 59 1HB TYR 59 2.269 -10.837 -3.202
450 HD1 TYR 59 1HD TYR 59 2.006 -9.591 -6.690
451 HD2 TYR 59 2HD TYR 59 4.630 -10.510 -3.415
452 HE1 TYR 59 1HE TYR 59 3.942 -9.359 -8.169
453 HE2 TYR 59 2HE TYR 59 6.583 -10.263 -4.918
454 HH TYR 59 HH TYR 59 7.257 -9.965 -7.018
455 H ASN 60 H ASN 60 1.685 -12.815 -3.640
456 HA ASN 60 HA ASN 60 2.898 -14.095 -5.878
457 1HB ASN 60 2HB ASN 60 2.147 -15.054 -3.118
458 2HB ASN 60 1HB ASN 60 2.890 -16.125 -4.306
459 1HD2 ASN 60 1HD2 ASN 60 3.495 -13.473 -2.101
460 2HD2 ASN 60 2HD2 ASN 60 5.162 -13.349 -2.398
461 H GLN 61 H GLN 61 -0.194 -14.647 -4.173
462 HA GLN 61 HA GLN 61 -1.067 -16.856 -5.733
463 1HB GLN 61 2HB GLN 61 -2.283 -15.615 -3.744
464 2HB GLN 61 1HB GLN 61 -3.000 -14.651 -5.036
465 1HG GLN 61 2HG GLN 61 -4.516 -16.451 -4.681
466 2HG GLN 61 1HG GLN 61 -3.623 -16.875 -6.142
467 1HE2 GLN 61 1HE2 GLN 61 -1.402 -17.202 -3.704
468 2HE2 GLN 61 2HE2 GLN 61 -1.623 -18.844 -3.332
469 H LEU 62 H LEU 62 -0.913 -13.448 -6.347
470 HA LEU 62 HA LEU 62 -2.282 -13.570 -8.919
471 1HB LEU 62 2HB LEU 62 -0.834 -11.491 -7.316
472 2HB LEU 62 1HB LEU 62 -0.993 -11.224 -9.043
473 HG LEU 62 HG LEU 62 -3.550 -11.936 -8.447
474 1HD1 LEU 62 1HD1 LEU 62 -3.287 -12.106 -6.069
475 2HD1 LEU 62 2HD1 LEU 62 -4.132 -10.592 -6.384
476 3HD1 LEU 62 3HD1 LEU 62 -2.414 -10.573 -5.998
477 1HD2 LEU 62 1HD2 LEU 62 -2.984 -9.977 -9.716
478 2HD2 LEU 62 2HD2 LEU 62 -2.231 -9.222 -8.310
479 3HD2 LEU 62 3HD2 LEU 62 -3.982 -9.453 -8.360
480 H PHE 63 H PHE 63 1.051 -13.504 -7.749
481 HA PHE 63 HA PHE 63 1.973 -14.734 -10.236
482 1HB PHE 63 2HB PHE 63 2.506 -11.853 -9.575
483 2HB PHE 63 1HB PHE 63 3.709 -12.778 -10.470
484 HD1 PHE 63 1HD PHE 63 0.497 -11.119 -10.594
485 HD2 PHE 63 2HD PHE 63 3.039 -13.916 -12.631
486 HE1 PHE 63 1HE PHE 63 -0.868 -10.861 -12.657
487 HE2 PHE 63 2HE PHE 63 1.683 -13.655 -14.691
488 HZ PHE 63 HZ PHE 63 -0.271 -12.128 -14.704
489 H GLY 64 H GLY 64 3.772 -12.651 -8.018
490 1HA GLY 64 2HA GLY 64 5.190 -13.320 -6.203
491 2HA GLY 64 1HA GLY 64 4.906 -15.005 -6.636
492 H ASP 65 H ASP 65 5.467 -13.782 -9.521
493 HA ASP 65 HA ASP 65 7.313 -13.876 -10.971
494 1HB ASP 65 2HB ASP 65 8.874 -12.838 -8.593
495 2HB ASP 65 1HB ASP 65 9.233 -12.599 -10.303
496 H VAL 66 H VAL 66 6.856 -16.341 -10.245
497 HA VAL 66 HA VAL 66 8.991 -17.567 -8.690
498 HB VAL 66 HB VAL 66 7.993 -19.697 -9.447
499 1HG1 VAL 66 1HG1 VAL 66 5.674 -19.275 -8.571
500 2HG1 VAL 66 2HG1 VAL 66 6.023 -17.547 -8.616
501 3HG1 VAL 66 3HG1 VAL 66 6.946 -18.605 -7.549
502 1HG2 VAL 66 1HG2 VAL 66 6.362 -17.850 -11.216
503 2HG2 VAL 66 2HG2 VAL 66 5.935 -19.534 -10.909
504 3HG2 VAL 66 3HG2 VAL 66 7.442 -19.144 -11.737
Start of MODEL 11
1 1H GLY 1 1HT GLY 1 5.637 28.747 -2.677
2 2H GLY 1 2HT GLY 1 6.015 27.747 -1.357
3 3H GLY 1 3HT GLY 1 6.627 29.330 -1.430
4 1HA GLY 1 2HA GLY 1 4.722 30.276 -0.726
5 2HA GLY 1 1HA GLY 1 3.731 29.062 -1.538
6 H SER 2 H SER 2 6.417 28.238 0.581
7 HA SER 2 HA SER 2 6.433 26.932 2.534
8 1HB SER 2 2HB SER 2 5.527 29.153 3.359
9 2HB SER 2 1HB SER 2 3.910 28.474 3.191
10 HG SER 2 HG SER 2 5.483 26.737 4.481
11 H MET 3 H MET 3 5.906 24.958 1.375
12 HA MET 3 HA MET 3 3.245 23.897 2.148
13 1HB MET 3 2HB MET 3 4.297 23.487 -0.656
14 2HB MET 3 1HB MET 3 2.682 23.142 -0.036
15 1HG MET 3 2HG MET 3 2.379 25.601 0.369
16 2HG MET 3 1HG MET 3 3.927 25.877 -0.431
17 1HE MET 3 1HE MET 3 4.581 24.937 -2.482
18 2HE MET 3 2HE MET 3 3.908 26.403 -3.192
19 3HE MET 3 3HE MET 3 3.589 24.842 -3.944
20 H GLY 4 H GLY 4 3.294 21.656 2.529
21 1HA GLY 4 2HA GLY 4 5.344 19.886 1.635
22 2HA GLY 4 1HA GLY 4 5.780 20.483 3.237
23 H VAL 5 H VAL 5 3.231 18.784 1.442
24 HA VAL 5 HA VAL 5 2.686 17.160 3.835
25 HB VAL 5 HB VAL 5 0.790 19.199 2.744
26 1HG1 VAL 5 1HG1 VAL 5 -1.047 17.732 3.850
27 2HG1 VAL 5 2HG1 VAL 5 0.059 16.394 3.567
28 3HG1 VAL 5 3HG1 VAL 5 -0.545 17.342 2.203
29 1HG2 VAL 5 1HG2 VAL 5 1.355 17.971 5.455
30 2HG2 VAL 5 2HG2 VAL 5 0.036 19.107 5.162
31 3HG2 VAL 5 3HG2 VAL 5 1.712 19.618 4.927
32 HA PRO 6 HA PRO 6 2.169 14.376 0.395
33 1HB PRO 6 2HB PRO 6 1.656 12.180 2.097
34 2HB PRO 6 1HB PRO 6 3.236 12.658 1.472
35 1HG PRO 6 2HG PRO 6 2.278 12.857 4.198
36 2HG PRO 6 1HG PRO 6 3.881 13.235 3.566
37 1HD PRO 6 2HD PRO 6 1.769 15.069 4.349
38 2HD PRO 6 1HD PRO 6 3.425 15.433 3.857
39 H ILE 7 H ILE 7 0.444 12.933 -0.350
40 HA ILE 7 HA ILE 7 -2.139 13.369 1.054
41 HB ILE 7 HB ILE 7 -1.475 14.028 -1.811
42 1HG1 ILE 7 2HG1 ILE 7 -3.059 15.417 0.352
43 2HG1 ILE 7 1HG1 ILE 7 -1.357 15.713 0.057
44 1HG2 ILE 7 1HG2 ILE 7 -4.045 14.300 -1.967
45 2HG2 ILE 7 2HG2 ILE 7 -4.107 13.225 -0.568
46 3HG2 ILE 7 3HG2 ILE 7 -3.395 12.664 -2.082
47 1HD1 ILE 7 1HD1 ILE 7 -3.399 15.998 -2.140
48 2HD1 ILE 7 2HD1 ILE 7 -1.787 16.709 -2.036
49 3HD1 ILE 7 3HD1 ILE 7 -3.088 17.314 -1.006
50 H CYS 8 H CYS 8 -2.981 11.488 1.463
51 HA CYS 8 HA CYS 8 -1.989 9.043 0.476
52 1HB CYS 8 2HB CYS 8 -3.175 9.130 2.579
53 2HB CYS 8 1HB CYS 8 -4.637 9.681 1.775
54 H GLY 9 H GLY 9 -2.172 8.226 -1.479
55 1HA GLY 9 2HA GLY 9 -3.915 9.257 -3.483
56 2HA GLY 9 1HA GLY 9 -3.016 7.748 -3.613
57 H ALA 10 H ALA 10 -4.635 7.433 -0.816
58 HA ALA 10 HA ALA 10 -6.665 5.712 -2.049
59 1HB ALA 10 1HB ALA 10 -6.908 4.751 0.054
60 2HB ALA 10 2HB ALA 10 -6.549 6.258 0.899
61 3HB ALA 10 3HB ALA 10 -5.249 5.335 0.151
62 H CYS 11 H CYS 11 -6.624 8.578 0.057
63 HA CYS 11 HA CYS 11 -9.497 9.037 -0.668
64 1HB CYS 11 2HB CYS 11 -9.096 10.672 1.468
65 2HB CYS 11 1HB CYS 11 -9.667 9.017 1.625
66 H ARG 12 H ARG 12 -6.406 10.038 -1.380
67 HA ARG 12 HA ARG 12 -5.548 11.991 -2.349
68 1HB ARG 12 2HB ARG 12 -8.449 12.759 -2.807
69 2HB ARG 12 1HB ARG 12 -7.042 13.270 -3.737
70 1HG ARG 12 2HG ARG 12 -7.866 10.366 -3.521
71 2HG ARG 12 1HG ARG 12 -8.473 11.429 -4.788
72 1HD ARG 12 2HD ARG 12 -6.071 11.955 -5.377
73 2HD ARG 12 1HD ARG 12 -5.587 10.682 -4.256
74 HE ARG 12 HE ARG 12 -7.413 9.435 -5.925
75 1HH1 ARG 12 1HH2 ARG 12 -4.547 11.312 -6.308
76 2HH1 ARG 12 2HH2 ARG 12 -4.066 10.522 -7.772
77 1HH2 ARG 12 1HH1 ARG 12 -6.801 8.392 -7.834
78 2HH2 ARG 12 2HH1 ARG 12 -5.342 8.869 -8.636
79 H ARG 13 H ARG 13 -6.094 11.866 0.460
80 HA ARG 13 HA ARG 13 -6.831 14.694 1.078
81 1HB ARG 13 2HB ARG 13 -7.485 12.128 2.321
82 2HB ARG 13 1HB ARG 13 -6.778 13.247 3.483
83 1HG ARG 13 2HG ARG 13 -9.200 13.535 3.457
84 2HG ARG 13 1HG ARG 13 -8.439 14.969 2.784
85 1HD ARG 13 2HD ARG 13 -9.969 14.654 1.112
86 2HD ARG 13 1HD ARG 13 -8.769 13.512 0.515
87 HE ARG 13 HE ARG 13 -10.313 12.005 2.256
88 1HH1 ARG 13 1HH2 ARG 13 -10.871 14.065 -0.453
89 2HH1 ARG 13 2HH2 ARG 13 -12.280 13.209 -0.982
90 1HH2 ARG 13 1HH1 ARG 13 -12.151 10.875 1.579
91 2HH2 ARG 13 2HH1 ARG 13 -13.005 11.404 0.167
92 HA PRO 14 HA PRO 14 -2.595 15.383 2.071
93 1HB PRO 14 2HB PRO 14 -3.225 17.050 4.346
94 2HB PRO 14 1HB PRO 14 -2.662 17.539 2.745
95 1HG PRO 14 2HG PRO 14 -5.287 17.868 3.815
96 2HG PRO 14 1HG PRO 14 -4.710 18.287 2.194
97 1HD PRO 14 2HD PRO 14 -6.472 16.116 2.929
98 2HD PRO 14 1HD PRO 14 -5.891 16.557 1.310
99 H ILE 15 H ILE 15 -1.512 13.697 2.969
100 HA ILE 15 HA ILE 15 -2.474 12.329 5.339
101 HB ILE 15 HB ILE 15 0.216 12.205 3.935
102 1HG1 ILE 15 2HG1 ILE 15 -1.729 9.953 3.976
103 2HG1 ILE 15 1HG1 ILE 15 -2.170 11.349 2.994
104 1HG2 ILE 15 1HG2 ILE 15 0.733 11.390 6.068
105 2HG2 ILE 15 2HG2 ILE 15 0.177 9.920 5.262
106 3HG2 ILE 15 3HG2 ILE 15 -0.904 10.797 6.342
107 1HD1 ILE 15 1HD1 ILE 15 -0.320 11.112 1.587
108 2HD1 ILE 15 2HD1 ILE 15 -0.730 9.431 1.925
109 3HD1 ILE 15 3HD1 ILE 15 0.602 10.206 2.782
110 H GLU 16 H GLU 16 -1.241 12.251 7.439
111 HA GLU 16 HA GLU 16 0.664 14.376 8.000
112 1HB GLU 16 2HB GLU 16 -0.973 15.498 9.679
113 2HB GLU 16 1HB GLU 16 -1.126 15.903 7.969
114 1HG GLU 16 2HG GLU 16 -3.000 14.462 7.687
115 2HG GLU 16 1HG GLU 16 -2.712 13.661 9.232
116 H GLY 17 H GLY 17 1.396 12.101 8.654
117 1HA GLY 17 2HA GLY 17 1.699 11.901 11.423
118 2HA GLY 17 1HA GLY 17 0.308 10.886 11.038
119 H ARG 18 H ARG 18 0.738 9.520 8.991
120 HA ARG 18 HA ARG 18 3.534 8.523 8.883
121 1HB ARG 18 2HB ARG 18 1.404 7.180 10.221
122 2HB ARG 18 1HB ARG 18 1.701 6.297 8.728
123 1HG ARG 18 2HG ARG 18 4.012 5.964 9.276
124 2HG ARG 18 1HG ARG 18 3.929 7.116 10.606
125 1HD ARG 18 2HD ARG 18 3.656 4.392 10.888
126 2HD ARG 18 1HD ARG 18 3.061 5.584 12.041
127 HE ARG 18 HE ARG 18 1.002 5.361 10.202
128 1HH1 ARG 18 1HH2 ARG 18 2.876 3.208 12.134
129 2HH1 ARG 18 2HH2 ARG 18 1.598 2.055 12.327
130 1HH2 ARG 18 1HH1 ARG 18 -0.680 3.868 10.444
131 2HH2 ARG 18 2HH1 ARG 18 -0.415 2.429 11.370
132 H VAL 19 H VAL 19 4.104 7.993 6.779
133 HA VAL 19 HA VAL 19 1.890 7.995 4.756
134 HB VAL 19 HB VAL 19 4.663 9.176 4.419
135 1HG1 VAL 19 1HG1 VAL 19 3.164 10.229 2.432
136 2HG1 VAL 19 2HG1 VAL 19 2.349 8.676 2.602
137 3HG1 VAL 19 3HG1 VAL 19 4.074 8.730 2.236
138 1HG2 VAL 19 1HG2 VAL 19 2.831 10.342 5.950
139 2HG2 VAL 19 2HG2 VAL 19 2.138 10.784 4.391
140 3HG2 VAL 19 3HG2 VAL 19 3.774 11.290 4.801
141 H VAL 20 H VAL 20 2.366 6.856 2.786
142 HA VAL 20 HA VAL 20 4.574 4.859 2.972
143 HB VAL 20 HB VAL 20 1.644 4.374 2.469
144 1HG1 VAL 20 1HG1 VAL 20 2.584 2.021 1.715
145 2HG1 VAL 20 2HG1 VAL 20 4.005 2.961 1.260
146 3HG1 VAL 20 3HG1 VAL 20 2.436 3.326 0.539
147 1HG2 VAL 20 1HG2 VAL 20 2.807 4.013 4.701
148 2HG2 VAL 20 2HG2 VAL 20 3.709 2.713 3.925
149 3HG2 VAL 20 3HG2 VAL 20 1.954 2.612 4.057
150 H ASN 21 H ASN 21 5.844 5.252 1.224
151 HA ASN 21 HA ASN 21 4.699 6.690 -1.071
152 1HB ASN 21 2HB ASN 21 7.509 5.737 -0.503
153 2HB ASN 21 1HB ASN 21 7.045 6.715 -1.892
154 1HD2 ASN 21 1HD2 ASN 21 5.221 7.425 0.942
155 2HD2 ASN 21 2HD2 ASN 21 6.054 8.832 1.397
156 H ALA 22 H ALA 22 3.526 5.396 -2.402
157 HA ALA 22 HA ALA 22 4.919 3.075 -3.624
158 1HB ALA 22 1HB ALA 22 3.081 1.573 -3.267
159 2HB ALA 22 2HB ALA 22 2.071 2.866 -2.619
160 3HB ALA 22 3HB ALA 22 3.455 2.278 -1.694
161 H MET 23 H MET 23 3.847 2.442 -5.683
162 HA MET 23 HA MET 23 2.905 3.043 -7.747
163 1HB MET 23 2HB MET 23 1.007 4.776 -6.160
164 2HB MET 23 1HB MET 23 0.705 3.963 -7.692
165 1HG MET 23 2HG MET 23 1.293 2.447 -5.138
166 2HG MET 23 1HG MET 23 -0.340 2.871 -5.637
167 1HE MET 23 1HE MET 23 1.857 0.295 -5.273
168 2HE MET 23 2HE MET 23 1.311 -0.946 -6.397
169 3HE MET 23 3HE MET 23 0.166 -0.227 -5.266
170 H GLY 24 H GLY 24 4.812 4.780 -6.129
171 1HA GLY 24 2HA GLY 24 6.042 6.736 -6.620
172 2HA GLY 24 1HA GLY 24 5.059 6.904 -8.078
173 H LYS 25 H LYS 25 3.348 6.442 -5.180
174 HA LYS 25 HA LYS 25 2.694 9.364 -5.004
175 1HB LYS 25 2HB LYS 25 0.861 6.969 -4.660
176 2HB LYS 25 1HB LYS 25 0.390 8.644 -4.407
177 1HG LYS 25 2HG LYS 25 1.601 8.563 -6.969
178 2HG LYS 25 1HG LYS 25 0.535 7.159 -6.888
179 1HD LYS 25 2HD LYS 25 -1.299 8.671 -6.081
180 2HD LYS 25 1HD LYS 25 -0.229 10.045 -6.359
181 1HE LYS 25 2HE LYS 25 -1.799 9.584 -8.270
182 2HE LYS 25 1HE LYS 25 -0.095 9.541 -8.724
183 1HZ LYS 25 1HZ LYS 25 -1.689 7.143 -8.005
184 2HZ LYS 25 2HZ LYS 25 -0.107 7.173 -8.627
185 3HZ LYS 25 3HZ LYS 25 -1.414 7.658 -9.597
186 H GLN 26 H GLN 26 0.951 8.958 -2.802
187 HA GLN 26 HA GLN 26 2.731 7.945 -0.627
188 1HB GLN 26 2HB GLN 26 1.407 10.646 -0.917
189 2HB GLN 26 1HB GLN 26 1.799 10.003 0.672
190 1HG GLN 26 2HG GLN 26 4.064 10.257 0.369
191 2HG GLN 26 1HG GLN 26 3.984 9.818 -1.331
192 1HE2 GLN 26 1HE2 GLN 26 1.657 12.194 -0.875
193 2HE2 GLN 26 2HE2 GLN 26 2.583 13.552 -1.290
194 H TRP 27 H TRP 27 1.466 6.956 1.085
195 HA TRP 27 HA TRP 27 -1.498 7.094 0.747
196 1HB TRP 27 2HB TRP 27 0.065 4.511 0.958
197 2HB TRP 27 1HB TRP 27 -1.681 4.668 0.785
198 HD1 TRP 27 HD TRP 27 1.582 5.286 -1.154
199 HE1 TRP 27 1HE TRP 27 1.035 5.331 -3.674
200 HE3 TRP 27 3HE TRP 27 -3.483 4.958 -0.934
201 HZ2 TRP 27 2HZ TRP 27 -1.276 5.240 -5.370
202 HZ3 TRP 27 3HZ TRP 27 -4.845 4.937 -2.993
203 HH2 TRP 27 HH TRP 27 -3.750 5.077 -5.217
204 H HIS 28 H HIS 28 -2.621 6.966 2.708
205 HA HIS 28 HA HIS 28 -1.221 7.382 5.162
206 1HB HIS 28 2HB HIS 28 -3.992 6.322 4.550
207 2HB HIS 28 1HB HIS 28 -3.395 6.397 6.204
208 HD2 HIS 28 2HD HIS 28 -2.441 9.208 6.829
209 HE1 HIS 28 1HE HIS 28 -5.374 10.845 4.270
210 HE2 HIS 28 2HE HIS 28 -3.735 11.371 6.137
211 H VAL 29 H VAL 29 -0.344 5.834 6.614
212 HA VAL 29 HA VAL 29 0.414 3.299 5.599
213 HB VAL 29 HB VAL 29 0.329 4.485 8.366
214 1HG1 VAL 29 1HG1 VAL 29 0.945 1.634 7.577
215 2HG1 VAL 29 2HG1 VAL 29 -0.120 2.203 8.861
216 3HG1 VAL 29 3HG1 VAL 29 1.629 2.365 9.028
217 1HG2 VAL 29 1HG2 VAL 29 2.624 3.386 6.732
218 2HG2 VAL 29 2HG2 VAL 29 2.716 4.461 8.120
219 3HG2 VAL 29 3HG2 VAL 29 2.070 5.056 6.586
220 H GLU 30 H GLU 30 -2.546 4.377 6.958
221 HA GLU 30 HA GLU 30 -3.412 1.631 7.615
222 1HB GLU 30 2HB GLU 30 -5.477 3.703 7.776
223 2HB GLU 30 1HB GLU 30 -4.900 2.599 9.023
224 1HG GLU 30 2HG GLU 30 -3.550 5.175 8.163
225 2HG GLU 30 1HG GLU 30 -4.439 4.919 9.662
226 H HIS 31 H HIS 31 -3.689 3.951 5.041
227 HA HIS 31 HA HIS 31 -5.984 2.456 3.870
228 1HB HIS 31 2HB HIS 31 -4.671 5.024 2.925
229 2HB HIS 31 1HB HIS 31 -6.154 4.315 2.288
230 HD2 HIS 31 2HD HIS 31 -7.128 3.574 5.566
231 HE1 HIS 31 1HE HIS 31 -7.567 7.766 5.672
232 HE2 HIS 31 2HE HIS 31 -8.194 5.595 6.820
233 H PHE 32 H PHE 32 -2.625 2.363 3.737
234 HA PHE 32 HA PHE 32 -2.524 1.681 0.876
235 1HB PHE 32 2HB PHE 32 -0.551 2.729 2.158
236 2HB PHE 32 1HB PHE 32 -0.330 1.140 2.893
237 HD1 PHE 32 1HD PHE 32 1.247 -0.221 1.838
238 HD2 PHE 32 2HD PHE 32 -1.077 2.497 -0.539
239 HE1 PHE 32 1HE PHE 32 2.367 -1.049 -0.209
240 HE2 PHE 32 2HE PHE 32 0.049 1.674 -2.578
241 HZ PHE 32 HZ PHE 32 1.775 -0.099 -2.418
242 H VAL 33 H VAL 33 -3.675 -0.115 0.490
243 HA VAL 33 HA VAL 33 -3.102 -2.534 2.153
244 HB VAL 33 HB VAL 33 -5.429 -3.190 1.800
245 1HG1 VAL 33 1HG1 VAL 33 -5.775 -2.033 3.704
246 2HG1 VAL 33 2HG1 VAL 33 -6.316 -0.686 2.706
247 3HG1 VAL 33 3HG1 VAL 33 -4.633 -0.773 3.224
248 1HG2 VAL 33 1HG2 VAL 33 -5.812 -2.247 -0.396
249 2HG2 VAL 33 2HG2 VAL 33 -5.543 -0.612 0.212
250 3HG2 VAL 33 3HG2 VAL 33 -6.974 -1.513 0.711
251 H CYS 34 H CYS 34 -3.939 -4.517 0.965
252 HA CYS 34 HA CYS 34 -2.467 -4.897 -1.459
253 1HB CYS 34 2HB CYS 34 -2.844 -6.826 -0.225
254 2HB CYS 34 1HB CYS 34 -4.531 -6.448 0.072
255 H ALA 35 H ALA 35 -3.231 -5.103 -3.606
256 HA ALA 35 HA ALA 35 -5.665 -3.524 -4.173
257 1HB ALA 35 1HB ALA 35 -4.809 -3.320 -6.368
258 2HB ALA 35 2HB ALA 35 -3.808 -4.761 -6.199
259 3HB ALA 35 3HB ALA 35 -3.372 -3.282 -5.342
260 H LYS 36 H LYS 36 -5.754 -6.306 -3.062
261 HA LYS 36 HA LYS 36 -7.473 -7.507 -5.195
262 1HB LYS 36 2HB LYS 36 -5.040 -8.563 -4.523
263 2HB LYS 36 1HB LYS 36 -6.072 -9.402 -3.381
264 1HG LYS 36 2HG LYS 36 -7.518 -9.580 -5.746
265 2HG LYS 36 1HG LYS 36 -5.849 -9.723 -6.290
266 1HD LYS 36 2HD LYS 36 -5.456 -11.554 -4.720
267 2HD LYS 36 1HD LYS 36 -7.082 -11.370 -4.069
268 1HE LYS 36 2HE LYS 36 -6.636 -11.895 -7.005
269 2HE LYS 36 1HE LYS 36 -6.708 -13.218 -5.841
270 1HZ LYS 36 1HZ LYS 36 -8.834 -11.574 -5.242
271 2HZ LYS 36 2HZ LYS 36 -8.900 -13.095 -5.997
272 3HZ LYS 36 3HZ LYS 36 -8.826 -11.680 -6.935
273 H CYS 37 H CYS 37 -6.624 -7.444 -1.758
274 HA CYS 37 HA CYS 37 -9.448 -8.239 -1.119
275 1HB CYS 37 2HB CYS 37 -8.571 -9.339 0.866
276 2HB CYS 37 1HB CYS 37 -7.681 -9.913 -0.541
277 H GLU 38 H GLU 38 -6.997 -5.847 -0.734
278 HA GLU 38 HA GLU 38 -7.104 -3.776 0.294
279 1HB GLU 38 2HB GLU 38 -9.826 -4.426 1.407
280 2HB GLU 38 1HB GLU 38 -9.169 -2.861 0.938
281 1HG GLU 38 2HG GLU 38 -9.020 -4.042 -1.455
282 2HG GLU 38 1HG GLU 38 -10.325 -5.020 -0.782
283 H LYS 39 H LYS 39 -5.758 -5.765 1.574
284 HA LYS 39 HA LYS 39 -6.585 -5.588 4.428
285 1HB LYS 39 2HB LYS 39 -4.903 -7.474 2.843
286 2HB LYS 39 1HB LYS 39 -4.423 -7.191 4.516
287 1HG LYS 39 2HG LYS 39 -7.082 -7.550 4.889
288 2HG LYS 39 1HG LYS 39 -6.858 -8.537 3.448
289 1HD LYS 39 2HD LYS 39 -4.850 -9.571 4.697
290 2HD LYS 39 1HD LYS 39 -5.530 -8.818 6.139
291 1HE LYS 39 2HE LYS 39 -6.944 -10.791 4.321
292 2HE LYS 39 1HE LYS 39 -6.351 -11.117 5.949
293 1HZ LYS 39 1HZ LYS 39 -8.723 -9.704 5.095
294 2HZ LYS 39 2HZ LYS 39 -7.859 -8.940 6.342
295 3HZ LYS 39 3HZ LYS 39 -8.415 -10.533 6.543
296 HA PRO 40 HA PRO 40 -3.587 -2.240 4.329
297 1HB PRO 40 2HB PRO 40 -4.094 -1.631 7.030
298 2HB PRO 40 1HB PRO 40 -4.770 -0.809 5.645
299 1HG PRO 40 2HG PRO 40 -6.081 -2.594 7.499
300 2HG PRO 40 1HG PRO 40 -6.809 -1.676 6.185
301 1HD PRO 40 2HD PRO 40 -6.303 -4.507 6.292
302 2HD PRO 40 1HD PRO 40 -6.996 -3.594 4.943
303 H PHE 41 H PHE 41 -1.517 -2.180 4.862
304 HA PHE 41 HA PHE 41 -0.458 -4.290 6.680
305 1HB PHE 41 2HB PHE 41 1.316 -2.426 5.149
306 2HB PHE 41 1HB PHE 41 1.552 -4.127 5.536
307 HD1 PHE 41 1HD PHE 41 -0.088 -5.815 4.458
308 HD2 PHE 41 2HD PHE 41 0.503 -1.818 3.040
309 HE1 PHE 41 1HE PHE 41 -0.990 -6.470 2.240
310 HE2 PHE 41 2HE PHE 41 -0.393 -2.461 0.819
311 HZ PHE 41 HZ PHE 41 -1.130 -4.793 0.416
312 H LEU 42 H LEU 42 -1.645 -2.633 8.272
313 HA LEU 42 HA LEU 42 -0.730 -0.160 9.048
314 1HB LEU 42 2HB LEU 42 -1.552 -2.572 10.631
315 2HB LEU 42 1HB LEU 42 -0.912 -1.177 11.495
316 HG LEU 42 HG LEU 42 -2.608 0.273 10.458
317 1HD1 LEU 42 1HD1 LEU 42 -4.423 -0.902 9.117
318 2HD1 LEU 42 2HD1 LEU 42 -3.303 -2.264 8.999
319 3HD1 LEU 42 3HD1 LEU 42 -2.859 -0.694 8.322
320 1HD2 LEU 42 1HD2 LEU 42 -3.578 -2.265 11.775
321 2HD2 LEU 42 2HD2 LEU 42 -4.706 -0.991 11.312
322 3HD2 LEU 42 3HD2 LEU 42 -3.426 -0.656 12.481
323 H GLY 43 H GLY 43 0.771 -3.204 10.135
324 1HA GLY 43 2HA GLY 43 3.392 -1.770 10.250
325 2HA GLY 43 1HA GLY 43 2.871 -2.781 11.596
326 H HIS 44 H HIS 44 2.146 -3.618 8.279
327 HA HIS 44 HA HIS 44 4.079 -5.901 8.512
328 1HB HIS 44 2HB HIS 44 1.727 -6.082 6.676
329 2HB HIS 44 1HB HIS 44 2.515 -7.345 7.619
330 HD1 HIS 44 1HD HIS 44 -0.642 -6.220 7.540
331 HD2 HIS 44 2HD HIS 44 2.154 -6.014 10.623
332 HE1 HIS 44 1HE HIS 44 -1.960 -5.944 9.685
333 H ARG 45 H ARG 45 4.820 -6.730 6.354
334 HA ARG 45 HA ARG 45 5.765 -4.494 4.719
335 1HB ARG 45 2HB ARG 45 7.384 -6.182 4.973
336 2HB ARG 45 1HB ARG 45 6.207 -7.475 4.756
337 1HG ARG 45 2HG ARG 45 6.040 -7.028 2.391
338 2HG ARG 45 1HG ARG 45 6.996 -5.556 2.547
339 1HD ARG 45 2HD ARG 45 7.970 -8.381 3.065
340 2HD ARG 45 1HD ARG 45 8.393 -7.373 1.680
341 HE ARG 45 HE ARG 45 9.140 -5.839 3.863
342 1HH1 ARG 45 1HH2 ARG 45 9.717 -9.049 2.746
343 2HH1 ARG 45 2HH2 ARG 45 11.299 -9.150 3.444
344 1HH2 ARG 45 1HH1 ARG 45 11.202 -5.953 4.781
345 2HH2 ARG 45 2HH1 ARG 45 12.139 -7.398 4.597
346 H HIS 46 H HIS 46 5.333 -4.289 2.411
347 HA HIS 46 HA HIS 46 2.773 -5.607 1.575
348 1HB HIS 46 2HB HIS 46 2.516 -3.563 0.070
349 2HB HIS 46 1HB HIS 46 2.271 -3.304 1.789
350 HD1 HIS 46 1HD HIS 46 4.315 -2.190 3.117
351 HD2 HIS 46 2HD HIS 46 4.650 -2.144 -1.040
352 HE1 HIS 46 1HE HIS 46 6.144 -0.528 2.564
353 H TYR 47 H TYR 47 2.555 -5.639 -0.846
354 HA TYR 47 HA TYR 47 5.178 -6.069 -2.204
355 1HB TYR 47 2HB TYR 47 2.796 -7.919 -2.398
356 2HB TYR 47 1HB TYR 47 4.412 -8.203 -3.015
357 HD1 TYR 47 1HD TYR 47 5.990 -9.332 -1.662
358 HD2 TYR 47 2HD TYR 47 2.597 -7.445 0.177
359 HE1 TYR 47 1HE TYR 47 6.689 -10.196 0.556
360 HE2 TYR 47 2HE TYR 47 3.311 -8.306 2.382
361 HH TYR 47 HH TYR 47 6.009 -10.548 2.693
362 H GLU 48 H GLU 48 5.186 -5.319 -4.325
363 HA GLU 48 HA GLU 48 2.632 -4.077 -5.273
364 1HB GLU 48 2HB GLU 48 5.530 -3.345 -5.595
365 2HB GLU 48 1HB GLU 48 4.331 -2.755 -6.748
366 1HG GLU 48 2HG GLU 48 3.115 -1.610 -5.057
367 2HG GLU 48 1HG GLU 48 3.970 -2.449 -3.763
368 H ARG 49 H ARG 49 2.015 -4.260 -7.424
369 HA ARG 49 HA ARG 49 3.564 -6.050 -9.210
370 1HB ARG 49 2HB ARG 49 2.062 -7.575 -8.015
371 2HB ARG 49 1HB ARG 49 0.697 -6.548 -8.411
372 1HG ARG 49 2HG ARG 49 0.496 -8.086 -10.125
373 2HG ARG 49 1HG ARG 49 1.567 -6.928 -10.905
374 1HD ARG 49 2HD ARG 49 3.493 -8.256 -9.943
375 2HD ARG 49 1HD ARG 49 2.319 -9.507 -9.554
376 HE ARG 49 HE ARG 49 1.867 -8.993 -12.237
377 1HH1 ARG 49 1HH2 ARG 49 4.589 -9.772 -10.271
378 2HH1 ARG 49 2HH2 ARG 49 5.424 -10.619 -11.530
379 1HH2 ARG 49 1HH1 ARG 49 2.941 -10.094 -13.893
380 2HH2 ARG 49 2HH1 ARG 49 4.492 -10.801 -13.581
381 H LYS 50 H LYS 50 3.465 -5.305 -11.258
382 HA LYS 50 HA LYS 50 3.006 -3.805 -12.984
383 1HB LYS 50 2HB LYS 50 0.779 -4.099 -13.917
384 2HB LYS 50 1HB LYS 50 1.354 -5.650 -13.314
385 1HG LYS 50 2HG LYS 50 -0.043 -5.534 -11.381
386 2HG LYS 50 1HG LYS 50 -0.381 -3.821 -11.636
387 1HD LYS 50 2HD LYS 50 -2.271 -5.302 -12.329
388 2HD LYS 50 1HD LYS 50 -1.643 -4.319 -13.652
389 1HE LYS 50 2HE LYS 50 -0.572 -7.094 -13.169
390 2HE LYS 50 1HE LYS 50 -2.058 -6.852 -14.088
391 1HZ LYS 50 1HZ LYS 50 -0.292 -5.012 -15.092
392 2HZ LYS 50 2HZ LYS 50 -0.766 -6.467 -15.830
393 3HZ LYS 50 3HZ LYS 50 0.641 -6.411 -14.879
394 H GLY 51 H GLY 51 2.912 -2.749 -10.210
395 1HA GLY 51 2HA GLY 51 2.700 -0.461 -9.569
396 2HA GLY 51 1HA GLY 51 1.639 -0.207 -10.949
397 H LEU 52 H LEU 52 1.208 -2.833 -8.697
398 HA LEU 52 HA LEU 52 -1.029 -1.397 -7.376
399 1HB LEU 52 2HB LEU 52 -1.227 -3.934 -8.980
400 2HB LEU 52 1HB LEU 52 -2.325 -3.659 -7.631
401 HG LEU 52 HG LEU 52 -1.940 -1.809 -10.003
402 1HD1 LEU 52 1HD1 LEU 52 -4.400 -2.528 -10.347
403 2HD1 LEU 52 2HD1 LEU 52 -4.023 -3.861 -9.253
404 3HD1 LEU 52 3HD1 LEU 52 -3.145 -3.694 -10.773
405 1HD2 LEU 52 1HD2 LEU 52 -4.260 -1.048 -8.778
406 2HD2 LEU 52 2HD2 LEU 52 -2.698 -0.296 -8.457
407 3HD2 LEU 52 3HD2 LEU 52 -3.310 -1.549 -7.376
408 H ALA 53 H ALA 53 -1.284 -1.979 -5.251
409 HA ALA 53 HA ALA 53 0.890 -3.510 -4.074
410 1HB ALA 53 1HB ALA 53 -0.385 -3.077 -1.923
411 2HB ALA 53 2HB ALA 53 -1.583 -2.223 -2.905
412 3HB ALA 53 3HB ALA 53 0.077 -1.628 -2.821
413 H TYR 54 H TYR 54 0.691 -5.399 -2.809
414 HA TYR 54 HA TYR 54 -1.839 -6.881 -2.826
415 1HB TYR 54 2HB TYR 54 0.592 -7.753 -4.386
416 2HB TYR 54 1HB TYR 54 -0.629 -8.890 -3.835
417 HD1 TYR 54 1HD TYR 54 0.264 -6.501 -6.320
418 HD2 TYR 54 2HD TYR 54 -3.062 -8.434 -4.454
419 HE1 TYR 54 1HE TYR 54 -1.141 -5.901 -8.238
420 HE2 TYR 54 2HE TYR 54 -4.507 -7.806 -6.393
421 HH TYR 54 HH TYR 54 -3.558 -7.100 -9.221
422 H CYS 55 H CYS 55 -1.891 -8.284 -1.032
423 HA CYS 55 HA CYS 55 0.113 -7.948 0.958
424 1HB CYS 55 2HB CYS 55 -1.586 -10.454 0.711
425 2HB CYS 55 1HB CYS 55 -0.957 -9.716 2.181
426 H GLU 56 H GLU 56 1.383 -10.041 1.783
427 HA GLU 56 HA GLU 56 3.291 -10.798 -0.187
428 1HB GLU 56 2HB GLU 56 3.734 -10.969 2.238
429 2HB GLU 56 1HB GLU 56 2.519 -12.220 2.378
430 1HG GLU 56 2HG GLU 56 4.977 -12.974 2.234
431 2HG GLU 56 1HG GLU 56 3.819 -13.793 1.190
432 H THR 57 H THR 57 0.262 -12.267 0.820
433 HA THR 57 HA THR 57 0.748 -14.726 -0.695
434 HB THR 57 HB THR 57 -1.701 -13.751 0.787
435 HG1 THR 57 1HG THR 57 -0.284 -15.927 1.664
436 1HG2 THR 57 1HG2 THR 57 -2.298 -16.226 0.650
437 2HG2 THR 57 2HG2 THR 57 -1.041 -16.366 -0.579
438 3HG2 THR 57 3HG2 THR 57 -2.434 -15.322 -0.858
439 H HIS 58 H HIS 58 -1.596 -12.027 -0.964
440 HA HIS 58 HA HIS 58 -2.731 -13.066 -3.365
441 1HB HIS 58 2HB HIS 58 -2.645 -10.251 -2.271
442 2HB HIS 58 1HB HIS 58 -3.595 -10.733 -3.672
443 HD2 HIS 58 2HD HIS 58 -4.711 -13.623 -2.429
444 HE1 HIS 58 1HE HIS 58 -6.356 -11.232 0.636
445 HE2 HIS 58 2HE HIS 58 -6.431 -13.512 -0.475
446 H TYR 59 H TYR 59 -0.087 -10.802 -2.735
447 HA TYR 59 HA TYR 59 0.473 -10.032 -5.372
448 1HB TYR 59 2HB TYR 59 1.733 -9.120 -3.508
449 2HB TYR 59 1HB TYR 59 2.293 -10.711 -3.039
450 HD1 TYR 59 1HD TYR 59 2.056 -9.385 -6.506
451 HD2 TYR 59 2HD TYR 59 4.651 -10.472 -3.262
452 HE1 TYR 59 1HE TYR 59 3.988 -9.149 -7.973
453 HE2 TYR 59 2HE TYR 59 6.611 -10.222 -4.758
454 HH TYR 59 HH TYR 59 6.709 -10.397 -7.690
455 H ASN 60 H ASN 60 1.836 -12.659 -3.480
456 HA ASN 60 HA ASN 60 3.097 -13.939 -5.665
457 1HB ASN 60 2HB ASN 60 2.204 -14.966 -2.965
458 2HB ASN 60 1HB ASN 60 3.105 -15.956 -4.111
459 1HD2 ASN 60 1HD2 ASN 60 4.152 -15.163 -1.514
460 2HD2 ASN 60 2HD2 ASN 60 5.493 -14.161 -1.789
461 H GLN 61 H GLN 61 -0.056 -14.499 -4.094
462 HA GLN 61 HA GLN 61 -0.838 -16.734 -5.673
463 1HB GLN 61 2HB GLN 61 -2.121 -15.531 -3.714
464 2HB GLN 61 1HB GLN 61 -2.821 -14.564 -5.011
465 1HG GLN 61 2HG GLN 61 -4.332 -16.365 -4.754
466 2HG GLN 61 1HG GLN 61 -3.355 -16.817 -6.151
467 1HE2 GLN 61 1HE2 GLN 61 -1.640 -18.461 -5.801
468 2HE2 GLN 61 2HE2 GLN 61 -1.729 -19.517 -4.476
469 H LEU 62 H LEU 62 -0.778 -13.311 -6.297
470 HA LEU 62 HA LEU 62 -2.069 -13.490 -8.903
471 1HB LEU 62 2HB LEU 62 -0.764 -11.366 -7.263
472 2HB LEU 62 1HB LEU 62 -0.799 -11.109 -9.000
473 HG LEU 62 HG LEU 62 -3.309 -11.692 -8.834
474 1HD1 LEU 62 1HD1 LEU 62 -4.370 -11.414 -6.726
475 2HD1 LEU 62 2HD1 LEU 62 -2.886 -10.829 -5.978
476 3HD1 LEU 62 3HD1 LEU 62 -3.035 -12.526 -6.443
477 1HD2 LEU 62 1HD2 LEU 62 -2.677 -9.461 -9.362
478 2HD2 LEU 62 2HD2 LEU 62 -2.071 -9.178 -7.731
479 3HD2 LEU 62 3HD2 LEU 62 -3.807 -9.330 -8.014
480 H PHE 63 H PHE 63 1.217 -13.511 -7.671
481 HA PHE 63 HA PHE 63 2.193 -14.541 -10.235
482 1HB PHE 63 2HB PHE 63 2.716 -11.747 -9.294
483 2HB PHE 63 1HB PHE 63 3.998 -12.599 -10.145
484 HD1 PHE 63 1HD PHE 63 0.796 -10.932 -10.429
485 HD2 PHE 63 2HD PHE 63 3.569 -13.501 -12.463
486 HE1 PHE 63 1HE PHE 63 -0.333 -10.440 -12.584
487 HE2 PHE 63 2HE PHE 63 2.443 -13.012 -14.619
488 HZ PHE 63 HZ PHE 63 0.492 -11.481 -14.679
489 H GLY 64 H GLY 64 4.030 -12.689 -7.896
490 1HA GLY 64 2HA GLY 64 5.531 -13.396 -6.212
491 2HA GLY 64 1HA GLY 64 4.938 -15.045 -6.420
492 H ASP 65 H ASP 65 6.104 -13.072 -9.079
493 HA ASP 65 HA ASP 65 7.880 -13.438 -10.571
494 1HB ASP 65 2HB ASP 65 9.095 -12.841 -8.394
495 2HB ASP 65 1HB ASP 65 9.350 -14.575 -8.185
496 H VAL 66 H VAL 66 5.925 -15.514 -10.397
497 HA VAL 66 HA VAL 66 7.388 -17.672 -11.642
498 HB VAL 66 HB VAL 66 7.895 -18.146 -9.248
499 1HG1 VAL 66 1HG1 VAL 66 5.687 -17.137 -8.457
500 2HG1 VAL 66 2HG1 VAL 66 6.153 -18.655 -7.690
501 3HG1 VAL 66 3HG1 VAL 66 4.925 -18.648 -8.956
502 1HG2 VAL 66 1HG2 VAL 66 7.639 -19.976 -10.941
503 2HG2 VAL 66 2HG2 VAL 66 5.945 -20.126 -10.469
504 3HG2 VAL 66 3HG2 VAL 66 7.220 -20.489 -9.306
Start of MODEL 12
1 1H GLY 1 1HT GLY 1 4.309 29.748 2.525
2 2H GLY 1 2HT GLY 1 4.101 29.127 0.957
3 3H GLY 1 3HT GLY 1 5.341 30.243 1.274
4 1HA GLY 1 2HA GLY 1 6.437 28.201 1.174
5 2HA GLY 1 1HA GLY 1 6.255 28.542 2.895
6 H SER 2 H SER 2 5.460 26.366 0.365
7 HA SER 2 HA SER 2 3.203 25.096 1.690
8 1HB SER 2 2HB SER 2 3.506 24.921 -0.747
9 2HB SER 2 1HB SER 2 5.036 24.082 -0.506
10 HG SER 2 HG SER 2 3.757 22.515 0.716
11 H MET 3 H MET 3 3.338 23.702 3.381
12 HA MET 3 HA MET 3 5.883 22.942 4.503
13 1HB MET 3 2HB MET 3 3.566 23.200 5.673
14 2HB MET 3 1HB MET 3 3.291 21.542 5.144
15 1HG MET 3 2HG MET 3 4.229 21.398 7.345
16 2HG MET 3 1HG MET 3 5.519 20.954 6.227
17 1HE MET 3 1HE MET 3 7.234 22.843 9.189
18 2HE MET 3 2HE MET 3 7.427 21.477 8.094
19 3HE MET 3 3HE MET 3 5.973 21.607 9.080
20 H GLY 4 H GLY 4 4.223 21.769 1.851
21 1HA GLY 4 2HA GLY 4 4.677 19.911 0.481
22 2HA GLY 4 1HA GLY 4 6.006 19.507 1.569
23 H VAL 5 H VAL 5 2.477 19.764 2.109
24 HA VAL 5 HA VAL 5 2.498 17.393 3.779
25 HB VAL 5 HB VAL 5 0.431 19.312 2.783
26 1HG1 VAL 5 1HG1 VAL 5 -1.261 17.720 3.960
27 2HG1 VAL 5 2HG1 VAL 5 -0.086 16.460 3.606
28 3HG1 VAL 5 3HG1 VAL 5 -0.811 17.382 2.286
29 1HG2 VAL 5 1HG2 VAL 5 1.187 18.112 5.460
30 2HG2 VAL 5 2HG2 VAL 5 -0.217 19.158 5.231
31 3HG2 VAL 5 3HG2 VAL 5 1.410 19.782 4.930
32 HA PRO 6 HA PRO 6 2.023 14.580 0.362
33 1HB PRO 6 2HB PRO 6 1.602 12.378 2.091
34 2HB PRO 6 1HB PRO 6 3.151 12.889 1.416
35 1HG PRO 6 2HG PRO 6 2.273 13.081 4.166
36 2HG PRO 6 1HG PRO 6 3.842 13.510 3.481
37 1HD PRO 6 2HD PRO 6 1.702 15.279 4.326
38 2HD PRO 6 1HD PRO 6 3.325 15.691 3.769
39 H ILE 7 H ILE 7 0.330 13.075 -0.352
40 HA ILE 7 HA ILE 7 -2.234 13.435 1.103
41 HB ILE 7 HB ILE 7 -1.650 14.152 -1.763
42 1HG1 ILE 7 2HG1 ILE 7 -3.238 15.454 0.450
43 2HG1 ILE 7 1HG1 ILE 7 -1.553 15.812 0.129
44 1HG2 ILE 7 1HG2 ILE 7 -4.222 14.338 -1.888
45 2HG2 ILE 7 2HG2 ILE 7 -4.241 13.265 -0.488
46 3HG2 ILE 7 3HG2 ILE 7 -3.532 12.719 -2.008
47 1HD1 ILE 7 1HD1 ILE 7 -3.392 17.356 -0.878
48 2HD1 ILE 7 2HD1 ILE 7 -3.611 16.055 -2.054
49 3HD1 ILE 7 3HD1 ILE 7 -2.048 16.861 -1.909
50 H CYS 8 H CYS 8 -3.052 11.540 1.487
51 HA CYS 8 HA CYS 8 -2.016 9.115 0.541
52 1HB CYS 8 2HB CYS 8 -3.287 9.142 2.568
53 2HB CYS 8 1HB CYS 8 -4.700 9.782 1.742
54 H GLY 9 H GLY 9 -2.034 8.405 -1.476
55 1HA GLY 9 2HA GLY 9 -3.703 9.383 -3.549
56 2HA GLY 9 1HA GLY 9 -2.770 7.893 -3.639
57 H ALA 10 H ALA 10 -4.564 7.549 -0.938
58 HA ALA 10 HA ALA 10 -6.489 5.811 -2.325
59 1HB ALA 10 1HB ALA 10 -5.166 5.452 -0.022
60 2HB ALA 10 2HB ALA 10 -6.750 4.736 -0.301
61 3HB ALA 10 3HB ALA 10 -6.607 6.228 0.629
62 H CYS 11 H CYS 11 -6.770 8.330 0.183
63 HA CYS 11 HA CYS 11 -9.538 8.873 -0.788
64 1HB CYS 11 2HB CYS 11 -9.557 10.269 1.410
65 2HB CYS 11 1HB CYS 11 -9.604 8.510 1.537
66 H ARG 12 H ARG 12 -6.521 9.945 -1.454
67 HA ARG 12 HA ARG 12 -5.648 11.965 -2.244
68 1HB ARG 12 2HB ARG 12 -8.605 12.386 -2.795
69 2HB ARG 12 1HB ARG 12 -7.333 13.451 -3.393
70 1HG ARG 12 2HG ARG 12 -7.456 10.472 -3.939
71 2HG ARG 12 1HG ARG 12 -8.039 11.706 -5.055
72 1HD ARG 12 2HD ARG 12 -5.506 12.623 -4.480
73 2HD ARG 12 1HD ARG 12 -5.268 10.879 -4.450
74 HE ARG 12 HE ARG 12 -5.419 12.367 -6.801
75 1HH1 ARG 12 1HH2 ARG 12 -7.205 9.782 -5.359
76 2HH1 ARG 12 2HH2 ARG 12 -7.797 9.183 -6.870
77 1HH2 ARG 12 1HH1 ARG 12 -6.179 11.586 -8.767
78 2HH2 ARG 12 2HH1 ARG 12 -7.216 10.199 -8.795
79 H ARG 13 H ARG 13 -6.054 11.795 0.528
80 HA ARG 13 HA ARG 13 -6.950 14.563 1.222
81 1HB ARG 13 2HB ARG 13 -7.042 11.964 2.743
82 2HB ARG 13 1HB ARG 13 -7.065 13.504 3.600
83 1HG ARG 13 2HG ARG 13 -9.015 14.188 2.177
84 2HG ARG 13 1HG ARG 13 -9.043 12.557 1.510
85 1HD ARG 13 2HD ARG 13 -9.142 11.778 3.983
86 2HD ARG 13 1HD ARG 13 -9.604 13.443 4.335
87 HE ARG 13 HE ARG 13 -11.323 12.702 2.294
88 1HH1 ARG 13 1HH2 ARG 13 -10.393 11.437 5.364
89 2HH1 ARG 13 2HH2 ARG 13 -11.931 10.703 5.676
90 1HH2 ARG 13 1HH1 ARG 13 -13.336 11.749 2.683
91 2HH2 ARG 13 2HH1 ARG 13 -13.596 10.879 4.158
92 HA PRO 14 HA PRO 14 -2.743 15.442 2.173
93 1HB PRO 14 2HB PRO 14 -3.427 17.046 4.478
94 2HB PRO 14 1HB PRO 14 -2.915 17.588 2.877
95 1HG PRO 14 2HG PRO 14 -5.534 17.772 3.991
96 2HG PRO 14 1HG PRO 14 -5.009 18.230 2.362
97 1HD PRO 14 2HD PRO 14 -6.638 15.957 3.121
98 2HD PRO 14 1HD PRO 14 -6.132 16.454 1.492
99 H ILE 15 H ILE 15 -1.593 13.776 3.035
100 HA ILE 15 HA ILE 15 -2.492 12.342 5.388
101 HB ILE 15 HB ILE 15 0.203 12.330 3.982
102 1HG1 ILE 15 2HG1 ILE 15 -1.786 10.098 3.904
103 2HG1 ILE 15 1HG1 ILE 15 -2.106 11.523 2.919
104 1HG2 ILE 15 1HG2 ILE 15 0.690 11.430 6.095
105 2HG2 ILE 15 2HG2 ILE 15 0.220 9.993 5.182
106 3HG2 ILE 15 3HG2 ILE 15 -0.926 10.755 6.283
107 1HD1 ILE 15 1HD1 ILE 15 0.650 10.377 2.816
108 2HD1 ILE 15 2HD1 ILE 15 -0.289 11.157 1.547
109 3HD1 ILE 15 3HD1 ILE 15 -0.635 9.488 1.997
110 H GLU 16 H GLU 16 -1.298 12.268 7.484
111 HA GLU 16 HA GLU 16 0.566 14.418 8.105
112 1HB GLU 16 2HB GLU 16 -1.112 15.433 9.822
113 2HB GLU 16 1HB GLU 16 -1.252 15.904 8.127
114 1HG GLU 16 2HG GLU 16 -3.093 14.449 7.762
115 2HG GLU 16 1HG GLU 16 -2.801 13.572 9.265
116 H GLY 17 H GLY 17 1.333 12.129 8.667
117 1HA GLY 17 2HA GLY 17 1.564 11.844 11.475
118 2HA GLY 17 1HA GLY 17 0.331 10.706 10.931
119 H ARG 18 H ARG 18 0.955 9.370 9.055
120 HA ARG 18 HA ARG 18 3.871 8.877 8.799
121 1HB ARG 18 2HB ARG 18 1.787 6.766 9.432
122 2HB ARG 18 1HB ARG 18 3.445 6.426 8.932
123 1HG ARG 18 2HG ARG 18 4.284 7.698 10.882
124 2HG ARG 18 1HG ARG 18 2.621 7.966 11.402
125 1HD ARG 18 2HD ARG 18 2.297 5.733 11.977
126 2HD ARG 18 1HD ARG 18 3.543 5.161 10.867
127 HE ARG 18 HE ARG 18 4.965 6.636 12.716
128 1HH1 ARG 18 1HH2 ARG 18 2.647 4.086 12.819
129 2HH1 ARG 18 2HH2 ARG 18 3.289 3.381 14.266
130 1HH2 ARG 18 1HH1 ARG 18 5.817 5.731 14.606
131 2HH2 ARG 18 2HH1 ARG 18 5.083 4.313 15.277
132 H VAL 19 H VAL 19 4.378 8.523 6.673
133 HA VAL 19 HA VAL 19 2.064 8.253 4.789
134 HB VAL 19 HB VAL 19 4.801 9.447 4.269
135 1HG1 VAL 19 1HG1 VAL 19 2.401 8.873 2.602
136 2HG1 VAL 19 2HG1 VAL 19 4.097 8.989 2.130
137 3HG1 VAL 19 3HG1 VAL 19 3.143 10.455 2.375
138 1HG2 VAL 19 1HG2 VAL 19 3.869 11.575 4.603
139 2HG2 VAL 19 2HG2 VAL 19 3.148 10.640 5.911
140 3HG2 VAL 19 3HG2 VAL 19 2.218 10.978 4.451
141 H VAL 20 H VAL 20 2.292 6.916 2.965
142 HA VAL 20 HA VAL 20 4.530 4.932 3.116
143 HB VAL 20 HB VAL 20 1.597 4.569 2.517
144 1HG1 VAL 20 1HG1 VAL 20 2.499 2.147 1.893
145 2HG1 VAL 20 2HG1 VAL 20 3.949 3.047 1.444
146 3HG1 VAL 20 3HG1 VAL 20 2.406 3.412 0.669
147 1HG2 VAL 20 1HG2 VAL 20 2.429 4.213 4.816
148 2HG2 VAL 20 2HG2 VAL 20 3.587 3.030 4.209
149 3HG2 VAL 20 3HG2 VAL 20 1.855 2.708 4.101
150 H ASN 21 H ASN 21 5.853 5.334 1.404
151 HA ASN 21 HA ASN 21 4.765 6.745 -0.940
152 1HB ASN 21 2HB ASN 21 7.535 5.921 -0.099
153 2HB ASN 21 1HB ASN 21 7.208 6.609 -1.688
154 1HD2 ASN 21 1HD2 ASN 21 5.415 7.582 1.216
155 2HD2 ASN 21 2HD2 ASN 21 6.046 9.156 1.288
156 H ALA 22 H ALA 22 3.657 5.428 -2.297
157 HA ALA 22 HA ALA 22 5.112 3.123 -3.463
158 1HB ALA 22 1HB ALA 22 3.632 2.324 -1.536
159 2HB ALA 22 2HB ALA 22 3.323 1.573 -3.102
160 3HB ALA 22 3HB ALA 22 2.255 2.845 -2.509
161 H MET 23 H MET 23 4.085 2.446 -5.531
162 HA MET 23 HA MET 23 3.154 3.002 -7.612
163 1HB MET 23 2HB MET 23 1.205 4.720 -6.070
164 2HB MET 23 1HB MET 23 0.938 3.889 -7.600
165 1HG MET 23 2HG MET 23 1.537 2.378 -5.050
166 2HG MET 23 1HG MET 23 -0.103 2.818 -5.512
167 1HE MET 23 1HE MET 23 0.434 -0.255 -5.137
168 2HE MET 23 2HE MET 23 2.129 0.215 -5.250
169 3HE MET 23 3HE MET 23 1.488 -1.013 -6.342
170 H GLY 24 H GLY 24 4.981 4.812 -5.954
171 1HA GLY 24 2HA GLY 24 6.183 6.787 -6.439
172 2HA GLY 24 1HA GLY 24 5.256 6.899 -7.937
173 H LYS 25 H LYS 25 3.622 6.501 -4.938
174 HA LYS 25 HA LYS 25 2.802 9.382 -4.923
175 1HB LYS 25 2HB LYS 25 1.060 6.922 -4.584
176 2HB LYS 25 1HB LYS 25 0.514 8.574 -4.332
177 1HG LYS 25 2HG LYS 25 1.733 8.618 -6.863
178 2HG LYS 25 1HG LYS 25 0.830 7.105 -6.827
179 1HD LYS 25 2HD LYS 25 -0.768 8.647 -7.592
180 2HD LYS 25 1HD LYS 25 -1.120 8.546 -5.873
181 1HE LYS 25 2HE LYS 25 -1.081 10.883 -6.437
182 2HE LYS 25 1HE LYS 25 0.406 10.547 -5.549
183 1HZ LYS 25 1HZ LYS 25 1.417 11.472 -7.287
184 2HZ LYS 25 2HZ LYS 25 0.046 11.354 -8.284
185 3HZ LYS 25 3HZ LYS 25 1.093 10.026 -8.111
186 H GLN 26 H GLN 26 0.998 8.935 -2.772
187 HA GLN 26 HA GLN 26 2.729 8.069 -0.504
188 1HB GLN 26 2HB GLN 26 1.320 10.717 -0.919
189 2HB GLN 26 1HB GLN 26 1.760 10.153 0.689
190 1HG GLN 26 2HG GLN 26 4.020 10.450 0.326
191 2HG GLN 26 1HG GLN 26 3.908 10.003 -1.371
192 1HE2 GLN 26 1HE2 GLN 26 1.508 12.286 -0.879
193 2HE2 GLN 26 2HE2 GLN 26 2.370 13.679 -1.315
194 H TRP 27 H TRP 27 1.420 7.041 1.142
195 HA TRP 27 HA TRP 27 -1.536 7.158 0.714
196 1HB TRP 27 2HB TRP 27 0.037 4.591 1.020
197 2HB TRP 27 1HB TRP 27 -1.699 4.735 0.770
198 HD1 TRP 27 HD TRP 27 1.643 5.287 -1.042
199 HE1 TRP 27 1HE TRP 27 1.203 5.298 -3.582
200 HE3 TRP 27 3HE TRP 27 -3.430 5.055 -1.031
201 HZ2 TRP 27 2HZ TRP 27 -1.037 5.220 -5.375
202 HZ3 TRP 27 3HZ TRP 27 -4.705 5.023 -3.145
203 HH2 TRP 27 HH TRP 27 -3.519 5.107 -5.321
204 H HIS 28 H HIS 28 -2.726 7.025 2.643
205 HA HIS 28 HA HIS 28 -1.395 7.491 5.130
206 1HB HIS 28 2HB HIS 28 -4.145 6.413 4.466
207 2HB HIS 28 1HB HIS 28 -3.587 6.502 6.131
208 HD2 HIS 28 2HD HIS 28 -2.627 9.335 6.722
209 HE1 HIS 28 1HE HIS 28 -5.597 10.915 4.168
210 HE2 HIS 28 2HE HIS 28 -3.945 11.476 6.015
211 H VAL 29 H VAL 29 -0.512 6.006 6.593
212 HA VAL 29 HA VAL 29 0.318 3.465 5.701
213 HB VAL 29 HB VAL 29 0.037 4.719 8.426
214 1HG1 VAL 29 1HG1 VAL 29 1.362 2.648 9.210
215 2HG1 VAL 29 2HG1 VAL 29 0.751 1.862 7.754
216 3HG1 VAL 29 3HG1 VAL 29 -0.375 2.454 8.976
217 1HG2 VAL 29 1HG2 VAL 29 2.431 4.741 8.331
218 2HG2 VAL 29 2HG2 VAL 29 1.865 5.306 6.756
219 3HG2 VAL 29 3HG2 VAL 29 2.453 3.651 6.949
220 H GLU 30 H GLU 30 -2.737 4.511 6.859
221 HA GLU 30 HA GLU 30 -3.576 1.757 7.527
222 1HB GLU 30 2HB GLU 30 -5.393 2.683 8.648
223 2HB GLU 30 1HB GLU 30 -4.178 3.943 8.852
224 1HG GLU 30 2HG GLU 30 -5.160 4.892 6.613
225 2HG GLU 30 1HG GLU 30 -6.559 3.895 7.014
226 H HIS 31 H HIS 31 -3.929 4.120 4.956
227 HA HIS 31 HA HIS 31 -6.127 2.535 3.738
228 1HB HIS 31 2HB HIS 31 -4.821 5.138 2.884
229 2HB HIS 31 1HB HIS 31 -6.118 4.341 2.000
230 HD2 HIS 31 2HD HIS 31 -7.752 3.522 4.925
231 HE1 HIS 31 1HE HIS 31 -8.220 7.706 5.148
232 HE2 HIS 31 2HE HIS 31 -9.062 5.484 6.029
233 H PHE 32 H PHE 32 -2.749 2.533 3.679
234 HA PHE 32 HA PHE 32 -2.553 1.736 0.860
235 1HB PHE 32 2HB PHE 32 -0.637 2.822 2.207
236 2HB PHE 32 1HB PHE 32 -0.436 1.242 2.964
237 HD1 PHE 32 1HD PHE 32 1.163 -0.148 1.979
238 HD2 PHE 32 2HD PHE 32 -1.036 2.587 -0.503
239 HE1 PHE 32 1HE PHE 32 2.381 -0.964 -0.021
240 HE2 PHE 32 2HE PHE 32 0.181 1.765 -2.489
241 HZ PHE 32 HZ PHE 32 1.892 -0.012 -2.252
242 H VAL 33 H VAL 33 -3.573 -0.125 0.410
243 HA VAL 33 HA VAL 33 -3.053 -2.474 2.177
244 HB VAL 33 HB VAL 33 -5.375 -3.161 1.833
245 1HG1 VAL 33 1HG1 VAL 33 -5.695 -1.999 3.737
246 2HG1 VAL 33 2HG1 VAL 33 -6.282 -0.671 2.742
247 3HG1 VAL 33 3HG1 VAL 33 -4.590 -0.721 3.232
248 1HG2 VAL 33 1HG2 VAL 33 -6.940 -1.512 0.741
249 2HG2 VAL 33 2HG2 VAL 33 -5.770 -2.230 -0.368
250 3HG2 VAL 33 3HG2 VAL 33 -5.524 -0.590 0.237
251 H CYS 34 H CYS 34 -3.848 -4.499 1.046
252 HA CYS 34 HA CYS 34 -2.373 -4.914 -1.365
253 1HB CYS 34 2HB CYS 34 -2.737 -6.810 -0.051
254 2HB CYS 34 1HB CYS 34 -4.442 -6.459 0.177
255 H ALA 35 H ALA 35 -3.140 -5.174 -3.513
256 HA ALA 35 HA ALA 35 -5.607 -3.655 -4.098
257 1HB ALA 35 1HB ALA 35 -3.351 -3.344 -5.285
258 2HB ALA 35 2HB ALA 35 -4.774 -3.501 -6.319
259 3HB ALA 35 3HB ALA 35 -3.696 -4.876 -6.089
260 H LYS 36 H LYS 36 -5.686 -6.407 -2.935
261 HA LYS 36 HA LYS 36 -7.442 -7.627 -5.014
262 1HB LYS 36 2HB LYS 36 -5.217 -8.766 -5.079
263 2HB LYS 36 1HB LYS 36 -5.412 -9.189 -3.385
264 1HG LYS 36 2HG LYS 36 -6.080 -11.065 -4.813
265 2HG LYS 36 1HG LYS 36 -7.474 -10.433 -3.943
266 1HD LYS 36 2HD LYS 36 -8.444 -9.553 -5.849
267 2HD LYS 36 1HD LYS 36 -6.892 -9.266 -6.635
268 1HE LYS 36 2HE LYS 36 -6.689 -11.494 -7.336
269 2HE LYS 36 1HE LYS 36 -7.826 -12.082 -6.124
270 1HZ LYS 36 1HZ LYS 36 -8.336 -10.898 -8.727
271 2HZ LYS 36 2HZ LYS 36 -9.387 -10.424 -7.479
272 3HZ LYS 36 3HZ LYS 36 -9.218 -12.068 -7.874
273 H CYS 37 H CYS 37 -6.524 -7.315 -1.628
274 HA CYS 37 HA CYS 37 -9.245 -8.339 -0.882
275 1HB CYS 37 2HB CYS 37 -8.256 -9.407 1.083
276 2HB CYS 37 1HB CYS 37 -7.442 -9.985 -0.371
277 H GLU 38 H GLU 38 -7.010 -5.799 -0.733
278 HA GLU 38 HA GLU 38 -7.038 -3.783 0.380
279 1HB GLU 38 2HB GLU 38 -9.825 -4.689 1.147
280 2HB GLU 38 1HB GLU 38 -9.183 -3.079 1.456
281 1HG GLU 38 2HG GLU 38 -9.177 -4.275 -1.316
282 2HG GLU 38 1HG GLU 38 -10.569 -3.389 -0.693
283 H LYS 39 H LYS 39 -5.635 -5.729 1.639
284 HA LYS 39 HA LYS 39 -6.418 -5.557 4.508
285 1HB LYS 39 2HB LYS 39 -5.763 -7.787 3.404
286 2HB LYS 39 1HB LYS 39 -4.116 -7.159 3.387
287 1HG LYS 39 2HG LYS 39 -5.574 -6.915 5.972
288 2HG LYS 39 1HG LYS 39 -5.155 -8.546 5.477
289 1HD LYS 39 2HD LYS 39 -2.798 -7.862 5.190
290 2HD LYS 39 1HD LYS 39 -3.217 -6.227 5.702
291 1HE LYS 39 2HE LYS 39 -4.057 -7.188 7.866
292 2HE LYS 39 1HE LYS 39 -3.432 -8.756 7.356
293 1HZ LYS 39 1HZ LYS 39 -1.463 -6.753 7.018
294 2HZ LYS 39 2HZ LYS 39 -1.403 -8.163 7.965
295 3HZ LYS 39 3HZ LYS 39 -2.039 -6.728 8.614
296 HA PRO 40 HA PRO 40 -3.440 -2.177 4.297
297 1HB PRO 40 2HB PRO 40 -3.916 -1.492 6.982
298 2HB PRO 40 1HB PRO 40 -4.631 -0.726 5.581
299 1HG PRO 40 2HG PRO 40 -5.875 -2.478 7.517
300 2HG PRO 40 1HG PRO 40 -6.645 -1.603 6.198
301 1HD PRO 40 2HD PRO 40 -6.097 -4.425 6.364
302 2HD PRO 40 1HD PRO 40 -6.832 -3.553 5.011
303 H PHE 41 H PHE 41 -1.349 -2.076 4.817
304 HA PHE 41 HA PHE 41 -0.271 -4.120 6.707
305 1HB PHE 41 2HB PHE 41 1.521 -2.316 5.130
306 2HB PHE 41 1HB PHE 41 1.744 -4.003 5.574
307 HD1 PHE 41 1HD PHE 41 -0.155 -1.724 3.333
308 HD2 PHE 41 2HD PHE 41 1.033 -5.762 4.164
309 HE1 PHE 41 1HE PHE 41 -1.016 -2.436 1.113
310 HE2 PHE 41 2HE PHE 41 0.172 -6.472 1.960
311 HZ PHE 41 HZ PHE 41 -0.852 -4.819 0.428
312 H LEU 42 H LEU 42 -1.483 -2.342 8.217
313 HA LEU 42 HA LEU 42 -0.509 0.133 8.888
314 1HB LEU 42 2HB LEU 42 -1.417 -2.175 10.569
315 2HB LEU 42 1HB LEU 42 -0.729 -0.771 11.380
316 HG LEU 42 HG LEU 42 -2.363 0.692 10.239
317 1HD1 LEU 42 1HD1 LEU 42 -4.228 -0.495 8.992
318 2HD1 LEU 42 2HD1 LEU 42 -3.181 -1.919 8.985
319 3HD1 LEU 42 3HD1 LEU 42 -2.660 -0.434 8.182
320 1HD2 LEU 42 1HD2 LEU 42 -4.494 -0.407 11.210
321 2HD2 LEU 42 2HD2 LEU 42 -3.178 -0.074 12.338
322 3HD2 LEU 42 3HD2 LEU 42 -3.428 -1.711 11.731
323 H GLY 43 H GLY 43 0.912 -2.893 10.138
324 1HA GLY 43 2HA GLY 43 3.562 -1.514 10.200
325 2HA GLY 43 1HA GLY 43 3.001 -2.410 11.609
326 H HIS 44 H HIS 44 2.330 -3.476 8.334
327 HA HIS 44 HA HIS 44 4.178 -5.794 8.814
328 1HB HIS 44 2HB HIS 44 1.853 -5.889 6.906
329 2HB HIS 44 1HB HIS 44 2.668 -7.219 7.730
330 HD1 HIS 44 1HD HIS 44 1.482 -8.076 9.749
331 HD2 HIS 44 2HD HIS 44 0.466 -4.123 8.923
332 HE1 HIS 44 1HE HIS 44 -0.274 -7.420 11.452
333 H ARG 45 H ARG 45 3.962 -6.798 6.179
334 HA ARG 45 HA ARG 45 5.523 -4.731 4.666
335 1HB ARG 45 2HB ARG 45 7.001 -6.531 5.158
336 2HB ARG 45 1HB ARG 45 5.766 -7.742 4.817
337 1HG ARG 45 2HG ARG 45 5.908 -7.409 2.486
338 2HG ARG 45 1HG ARG 45 6.712 -5.850 2.666
339 1HD ARG 45 2HD ARG 45 7.940 -8.491 3.502
340 2HD ARG 45 1HD ARG 45 8.260 -7.698 1.960
341 HE ARG 45 HE ARG 45 8.821 -5.740 3.837
342 1HH1 ARG 45 1HH2 ARG 45 9.752 -9.012 3.279
343 2HH1 ARG 45 2HH2 ARG 45 11.329 -8.820 3.966
344 1HH2 ARG 45 1HH1 ARG 45 10.876 -5.471 4.738
345 2HH2 ARG 45 2HH1 ARG 45 11.967 -6.815 4.792
346 H HIS 46 H HIS 46 5.029 -4.457 2.453
347 HA HIS 46 HA HIS 46 2.544 -5.853 1.528
348 1HB HIS 46 2HB HIS 46 2.293 -3.783 0.040
349 2HB HIS 46 1HB HIS 46 1.974 -3.568 1.755
350 HD1 HIS 46 1HD HIS 46 3.741 -2.240 3.150
351 HD2 HIS 46 2HD HIS 46 4.642 -2.504 -0.913
352 HE1 HIS 46 1HE HIS 46 5.610 -0.586 2.722
353 H TYR 47 H TYR 47 2.398 -5.940 -0.882
354 HA TYR 47 HA TYR 47 5.081 -6.284 -2.156
355 1HB TYR 47 2HB TYR 47 2.731 -8.152 -2.493
356 2HB TYR 47 1HB TYR 47 4.381 -8.413 -3.021
357 HD1 TYR 47 1HD TYR 47 5.869 -9.580 -1.607
358 HD2 TYR 47 2HD TYR 47 2.405 -7.689 0.089
359 HE1 TYR 47 1HE TYR 47 6.445 -10.485 0.630
360 HE2 TYR 47 2HE TYR 47 2.997 -8.594 2.311
361 HH TYR 47 HH TYR 47 4.316 -10.072 3.402
362 H GLU 48 H GLU 48 5.183 -5.494 -4.251
363 HA GLU 48 HA GLU 48 2.698 -4.196 -5.285
364 1HB GLU 48 2HB GLU 48 5.635 -3.629 -5.588
365 2HB GLU 48 1HB GLU 48 4.481 -2.994 -6.763
366 1HG GLU 48 2HG GLU 48 3.318 -1.750 -5.108
367 2HG GLU 48 1HG GLU 48 4.105 -2.617 -3.789
368 H ARG 49 H ARG 49 2.074 -4.405 -7.428
369 HA ARG 49 HA ARG 49 3.584 -6.172 -9.240
370 1HB ARG 49 2HB ARG 49 2.263 -7.785 -7.974
371 2HB ARG 49 1HB ARG 49 0.800 -6.872 -8.289
372 1HG ARG 49 2HG ARG 49 2.222 -7.467 -10.771
373 2HG ARG 49 1HG ARG 49 1.821 -8.939 -9.884
374 1HD ARG 49 2HD ARG 49 -0.487 -8.468 -9.910
375 2HD ARG 49 1HD ARG 49 -0.232 -6.770 -10.282
376 HE ARG 49 HE ARG 49 0.819 -8.109 -12.475
377 1HH1 ARG 49 1HH2 ARG 49 -2.157 -8.070 -10.735
378 2HH1 ARG 49 2HH2 ARG 49 -3.127 -8.446 -12.121
379 1HH2 ARG 49 1HH1 ARG 49 -0.430 -8.599 -14.295
380 2HH2 ARG 49 2HH1 ARG 49 -2.149 -8.746 -14.137
381 H LYS 50 H LYS 50 3.403 -5.333 -11.237
382 HA LYS 50 HA LYS 50 2.670 -3.996 -12.999
383 1HB LYS 50 2HB LYS 50 0.149 -5.208 -11.892
384 2HB LYS 50 1HB LYS 50 0.046 -4.025 -13.193
385 1HG LYS 50 2HG LYS 50 1.979 -6.312 -13.453
386 2HG LYS 50 1HG LYS 50 0.266 -6.595 -13.759
387 1HD LYS 50 2HD LYS 50 0.257 -4.728 -15.392
388 2HD LYS 50 1HD LYS 50 1.986 -4.503 -15.123
389 1HE LYS 50 2HE LYS 50 1.952 -5.873 -17.026
390 2HE LYS 50 1HE LYS 50 2.155 -7.046 -15.724
391 1HZ LYS 50 1HZ LYS 50 0.374 -7.526 -17.436
392 2HZ LYS 50 2HZ LYS 50 -0.516 -6.263 -16.728
393 3HZ LYS 50 3HZ LYS 50 -0.093 -7.629 -15.809
394 H GLY 51 H GLY 51 3.007 -2.825 -10.271
395 1HA GLY 51 2HA GLY 51 2.878 -0.563 -9.570
396 2HA GLY 51 1HA GLY 51 1.812 -0.246 -10.936
397 H LEU 52 H LEU 52 1.276 -2.842 -8.684
398 HA LEU 52 HA LEU 52 -0.849 -1.302 -7.305
399 1HB LEU 52 2HB LEU 52 -1.232 -3.776 -8.970
400 2HB LEU 52 1HB LEU 52 -2.294 -3.464 -7.601
401 HG LEU 52 HG LEU 52 -1.791 -1.549 -9.895
402 1HD1 LEU 52 1HD1 LEU 52 -4.279 -2.137 -10.310
403 2HD1 LEU 52 2HD1 LEU 52 -3.970 -3.548 -9.297
404 3HD1 LEU 52 3HD1 LEU 52 -3.064 -3.321 -10.795
405 1HD2 LEU 52 1HD2 LEU 52 -4.104 -0.761 -8.648
406 2HD2 LEU 52 2HD2 LEU 52 -2.516 -0.077 -8.302
407 3HD2 LEU 52 3HD2 LEU 52 -3.167 -1.352 -7.271
408 H ALA 53 H ALA 53 -1.143 -1.962 -5.194
409 HA ALA 53 HA ALA 53 0.975 -3.608 -4.082
410 1HB ALA 53 1HB ALA 53 -1.453 -2.277 -2.874
411 2HB ALA 53 2HB ALA 53 0.232 -1.763 -2.744
412 3HB ALA 53 3HB ALA 53 -0.312 -3.227 -1.917
413 H TYR 54 H TYR 54 0.706 -5.547 -2.891
414 HA TYR 54 HA TYR 54 -1.875 -6.932 -2.990
415 1HB TYR 54 2HB TYR 54 0.545 -7.836 -4.545
416 2HB TYR 54 1HB TYR 54 -0.693 -8.966 -4.016
417 HD1 TYR 54 1HD TYR 54 0.166 -6.309 -6.307
418 HD2 TYR 54 2HD TYR 54 -3.046 -8.701 -4.786
419 HE1 TYR 54 1HE TYR 54 -1.218 -5.649 -8.220
420 HE2 TYR 54 2HE TYR 54 -4.461 -8.010 -6.727
421 HH TYR 54 HH TYR 54 -3.124 -6.111 -9.380
422 H CYS 55 H CYS 55 -2.004 -8.409 -1.269
423 HA CYS 55 HA CYS 55 -0.118 -8.177 0.821
424 1HB CYS 55 2HB CYS 55 -2.046 -10.436 0.186
425 2HB CYS 55 1HB CYS 55 -1.113 -10.350 1.676
426 H GLU 56 H GLU 56 1.018 -10.370 1.642
427 HA GLU 56 HA GLU 56 3.116 -10.999 -0.215
428 1HB GLU 56 2HB GLU 56 3.247 -11.203 2.313
429 2HB GLU 56 1HB GLU 56 2.267 -12.656 2.177
430 1HG GLU 56 2HG GLU 56 3.937 -13.813 0.964
431 2HG GLU 56 1HG GLU 56 4.817 -12.331 0.595
432 H THR 57 H THR 57 0.119 -12.624 0.687
433 HA THR 57 HA THR 57 0.718 -14.956 -0.986
434 HB THR 57 HB THR 57 -1.729 -14.193 0.620
435 HG1 THR 57 1HG THR 57 0.242 -16.189 1.018
436 1HG2 THR 57 1HG2 THR 57 -1.083 -16.630 -1.044
437 2HG2 THR 57 2HG2 THR 57 -2.514 -15.604 -1.130
438 3HG2 THR 57 3HG2 THR 57 -2.273 -16.667 0.256
439 H HIS 58 H HIS 58 -1.567 -12.214 -1.124
440 HA HIS 58 HA HIS 58 -2.824 -13.179 -3.510
441 1HB HIS 58 2HB HIS 58 -2.631 -10.368 -2.405
442 2HB HIS 58 1HB HIS 58 -3.700 -10.868 -3.712
443 HD2 HIS 58 2HD HIS 58 -4.778 -13.698 -2.401
444 HE1 HIS 58 1HE HIS 58 -6.073 -11.321 0.837
445 HE2 HIS 58 2HE HIS 58 -6.315 -13.576 -0.300
446 H TYR 59 H TYR 59 -0.148 -10.928 -2.900
447 HA TYR 59 HA TYR 59 0.365 -10.160 -5.546
448 1HB TYR 59 2HB TYR 59 1.671 -9.252 -3.710
449 2HB TYR 59 1HB TYR 59 2.253 -10.843 -3.269
450 HD1 TYR 59 1HD TYR 59 1.864 -9.542 -6.723
451 HD2 TYR 59 2HD TYR 59 4.606 -10.561 -3.579
452 HE1 TYR 59 1HE TYR 59 3.732 -9.326 -8.285
453 HE2 TYR 59 2HE TYR 59 6.497 -10.321 -5.159
454 HH TYR 59 HH TYR 59 6.097 -8.952 -8.310
455 H ASN 60 H ASN 60 1.709 -12.826 -3.681
456 HA ASN 60 HA ASN 60 2.941 -14.095 -5.894
457 1HB ASN 60 2HB ASN 60 2.107 -15.079 -3.171
458 2HB ASN 60 1HB ASN 60 2.836 -16.163 -4.353
459 1HD2 ASN 60 1HD2 ASN 60 3.449 -13.224 -2.425
460 2HD2 ASN 60 2HD2 ASN 60 5.139 -13.286 -2.565
461 H GLN 61 H GLN 61 -0.217 -14.622 -4.323
462 HA GLN 61 HA GLN 61 -1.063 -16.805 -5.937
463 1HB GLN 61 2HB GLN 61 -2.344 -15.616 -3.991
464 2HB GLN 61 1HB GLN 61 -2.944 -14.543 -5.255
465 1HG GLN 61 2HG GLN 61 -3.866 -16.437 -6.479
466 2HG GLN 61 1HG GLN 61 -3.183 -17.563 -5.307
467 1HE2 GLN 61 1HE2 GLN 61 -4.292 -17.841 -3.291
468 2HE2 GLN 61 2HE2 GLN 61 -5.773 -17.088 -2.945
469 H LEU 62 H LEU 62 -0.850 -13.388 -6.501
470 HA LEU 62 HA LEU 62 -2.068 -13.481 -9.153
471 1HB LEU 62 2HB LEU 62 -0.792 -11.419 -7.409
472 2HB LEU 62 1HB LEU 62 -0.774 -11.115 -9.140
473 HG LEU 62 HG LEU 62 -3.338 -11.761 -8.958
474 1HD1 LEU 62 1HD1 LEU 62 -2.704 -10.734 -6.181
475 2HD1 LEU 62 2HD1 LEU 62 -3.220 -12.379 -6.565
476 3HD1 LEU 62 3HD1 LEU 62 -4.316 -11.026 -6.833
477 1HD2 LEU 62 1HD2 LEU 62 -2.609 -9.602 -9.722
478 2HD2 LEU 62 2HD2 LEU 62 -2.094 -9.150 -8.096
479 3HD2 LEU 62 3HD2 LEU 62 -3.812 -9.335 -8.459
480 H PHE 63 H PHE 63 1.182 -13.482 -7.791
481 HA PHE 63 HA PHE 63 2.252 -14.552 -10.303
482 1HB PHE 63 2HB PHE 63 2.748 -11.744 -9.388
483 2HB PHE 63 1HB PHE 63 4.075 -12.621 -10.147
484 HD1 PHE 63 1HD PHE 63 0.837 -11.030 -10.639
485 HD2 PHE 63 2HD PHE 63 3.838 -13.496 -12.468
486 HE1 PHE 63 1HE PHE 63 -0.166 -10.601 -12.870
487 HE2 PHE 63 2HE PHE 63 2.839 -13.064 -14.697
488 HZ PHE 63 HZ PHE 63 0.836 -11.616 -14.897
489 H GLY 64 H GLY 64 4.023 -12.692 -7.918
490 1HA GLY 64 2HA GLY 64 5.317 -13.479 -6.060
491 2HA GLY 64 1HA GLY 64 4.914 -15.135 -6.513
492 H ASP 65 H ASP 65 5.691 -13.953 -9.366
493 HA ASP 65 HA ASP 65 7.576 -14.237 -10.743
494 1HB ASP 65 2HB ASP 65 8.179 -12.157 -9.450
495 2HB ASP 65 1HB ASP 65 9.059 -13.185 -8.318
496 H VAL 66 H VAL 66 6.914 -16.644 -9.882
497 HA VAL 66 HA VAL 66 8.984 -17.921 -8.271
498 HB VAL 66 HB VAL 66 6.717 -18.828 -8.262
499 1HG1 VAL 66 1HG1 VAL 66 7.183 -19.365 -11.213
500 2HG1 VAL 66 2HG1 VAL 66 6.116 -18.119 -10.565
501 3HG1 VAL 66 3HG1 VAL 66 5.751 -19.822 -10.290
502 1HG2 VAL 66 1HG2 VAL 66 8.460 -20.771 -9.793
503 2HG2 VAL 66 2HG2 VAL 66 7.265 -21.137 -8.550
504 3HG2 VAL 66 3HG2 VAL 66 8.779 -20.344 -8.112
Start of MODEL 13
1 1H GLY 1 1HT GLY 1 6.462 26.758 4.074
2 2H GLY 1 2HT GLY 1 5.377 25.940 3.054
3 3H GLY 1 3HT GLY 1 4.791 26.960 4.280
4 1HA GLY 1 2HA GLY 1 4.826 28.696 2.932
5 2HA GLY 1 1HA GLY 1 6.547 28.430 2.649
6 H SER 2 H SER 2 4.991 25.612 1.851
7 HA SER 2 HA SER 2 3.890 26.235 -0.727
8 1HB SER 2 2HB SER 2 5.792 25.180 -2.058
9 2HB SER 2 1HB SER 2 6.109 26.793 -1.427
10 HG SER 2 HG SER 2 6.731 24.607 0.190
11 H MET 3 H MET 3 4.211 23.968 -2.129
12 HA MET 3 HA MET 3 2.641 22.035 -0.858
13 1HB MET 3 2HB MET 3 4.786 21.538 -2.948
14 2HB MET 3 1HB MET 3 3.449 20.453 -2.567
15 1HG MET 3 2HG MET 3 1.828 21.990 -3.386
16 2HG MET 3 1HG MET 3 2.991 23.316 -3.416
17 1HE MET 3 1HE MET 3 3.987 19.611 -4.700
18 2HE MET 3 2HE MET 3 2.917 19.614 -6.098
19 3HE MET 3 3HE MET 3 2.245 19.829 -4.483
20 H GLY 4 H GLY 4 3.045 20.411 0.605
21 1HA GLY 4 2HA GLY 4 5.728 19.363 1.046
22 2HA GLY 4 1HA GLY 4 5.178 20.402 2.361
23 H VAL 5 H VAL 5 2.479 19.762 2.483
24 HA VAL 5 HA VAL 5 2.526 17.301 3.946
25 HB VAL 5 HB VAL 5 0.411 19.214 3.042
26 1HG1 VAL 5 1HG1 VAL 5 -0.043 16.333 3.794
27 2HG1 VAL 5 2HG1 VAL 5 -0.810 17.281 2.518
28 3HG1 VAL 5 3HG1 VAL 5 -1.228 17.563 4.211
29 1HG2 VAL 5 1HG2 VAL 5 1.241 17.962 5.672
30 2HG2 VAL 5 2HG2 VAL 5 -0.185 18.990 5.496
31 3HG2 VAL 5 3HG2 VAL 5 1.426 19.647 5.179
32 HA PRO 6 HA PRO 6 2.021 14.581 0.456
33 1HB PRO 6 2HB PRO 6 1.616 12.332 2.131
34 2HB PRO 6 1HB PRO 6 3.157 12.858 1.447
35 1HG PRO 6 2HG PRO 6 2.323 12.978 4.214
36 2HG PRO 6 1HG PRO 6 3.880 13.426 3.515
37 1HD PRO 6 2HD PRO 6 1.754 15.167 4.445
38 2HD PRO 6 1HD PRO 6 3.365 15.599 3.871
39 H ILE 7 H ILE 7 0.317 13.106 -0.287
40 HA ILE 7 HA ILE 7 -2.232 13.430 1.205
41 HB ILE 7 HB ILE 7 -1.671 14.207 -1.651
42 1HG1 ILE 7 2HG1 ILE 7 -3.231 15.467 0.607
43 2HG1 ILE 7 1HG1 ILE 7 -1.547 15.825 0.275
44 1HG2 ILE 7 1HG2 ILE 7 -4.244 14.406 -1.744
45 2HG2 ILE 7 2HG2 ILE 7 -4.251 13.300 -0.370
46 3HG2 ILE 7 3HG2 ILE 7 -3.561 12.788 -1.909
47 1HD1 ILE 7 1HD1 ILE 7 -3.634 16.127 -1.872
48 2HD1 ILE 7 2HD1 ILE 7 -2.060 16.915 -1.739
49 3HD1 ILE 7 3HD1 ILE 7 -3.385 17.401 -0.675
50 H CYS 8 H CYS 8 -3.051 11.529 1.553
51 HA CYS 8 HA CYS 8 -2.026 9.124 0.538
52 1HB CYS 8 2HB CYS 8 -3.254 9.094 2.587
53 2HB CYS 8 1HB CYS 8 -4.679 9.772 1.813
54 H GLY 9 H GLY 9 -2.116 8.388 -1.463
55 1HA GLY 9 2HA GLY 9 -3.821 9.430 -3.494
56 2HA GLY 9 1HA GLY 9 -2.883 7.944 -3.632
57 H ALA 10 H ALA 10 -4.634 7.562 -0.896
58 HA ALA 10 HA ALA 10 -6.567 5.823 -2.271
59 1HB ALA 10 1HB ALA 10 -6.824 4.750 -0.239
60 2HB ALA 10 2HB ALA 10 -6.633 6.237 0.690
61 3HB ALA 10 3HB ALA 10 -5.221 5.439 0.004
62 H CYS 11 H CYS 11 -6.785 8.408 0.175
63 HA CYS 11 HA CYS 11 -9.577 8.929 -0.760
64 1HB CYS 11 2HB CYS 11 -9.591 10.293 1.470
65 2HB CYS 11 1HB CYS 11 -9.678 8.533 1.555
66 H ARG 12 H ARG 12 -6.553 9.998 -1.381
67 HA ARG 12 HA ARG 12 -5.665 12.024 -2.133
68 1HB ARG 12 2HB ARG 12 -8.608 12.292 -2.760
69 2HB ARG 12 1HB ARG 12 -7.482 13.597 -3.129
70 1HG ARG 12 2HG ARG 12 -6.787 10.810 -4.004
71 2HG ARG 12 1HG ARG 12 -7.990 11.711 -4.925
72 1HD ARG 12 2HD ARG 12 -5.331 12.949 -4.220
73 2HD ARG 12 1HD ARG 12 -5.516 11.935 -5.650
74 HE ARG 12 HE ARG 12 -7.586 13.763 -5.866
75 1HH1 ARG 12 1HH2 ARG 12 -4.174 13.890 -5.391
76 2HH1 ARG 12 2HH2 ARG 12 -3.982 15.405 -6.209
77 1HH2 ARG 12 1HH1 ARG 12 -7.356 15.740 -6.938
78 2HH2 ARG 12 2HH1 ARG 12 -5.784 16.452 -7.085
79 H ARG 13 H ARG 13 -6.056 11.808 0.629
80 HA ARG 13 HA ARG 13 -6.936 14.567 1.378
81 1HB ARG 13 2HB ARG 13 -7.103 11.927 2.804
82 2HB ARG 13 1HB ARG 13 -7.007 13.413 3.747
83 1HG ARG 13 2HG ARG 13 -8.953 14.301 2.462
84 2HG ARG 13 1HG ARG 13 -9.088 12.743 1.647
85 1HD ARG 13 2HD ARG 13 -8.998 11.988 4.291
86 2HD ARG 13 1HD ARG 13 -9.880 13.510 4.389
87 HE ARG 13 HE ARG 13 -11.049 11.104 3.603
88 1HH1 ARG 13 1HH2 ARG 13 -10.522 14.210 2.179
89 2HH1 ARG 13 2HH2 ARG 13 -11.854 14.071 1.084
90 1HH2 ARG 13 1HH1 ARG 13 -12.786 10.924 2.188
91 2HH2 ARG 13 2HH1 ARG 13 -13.136 12.218 1.091
92 HA PRO 14 HA PRO 14 -2.728 15.423 2.328
93 1HB PRO 14 2HB PRO 14 -3.408 16.964 4.679
94 2HB PRO 14 1HB PRO 14 -2.893 17.548 3.094
95 1HG PRO 14 2HG PRO 14 -5.510 17.709 4.208
96 2HG PRO 14 1HG PRO 14 -4.986 18.199 2.588
97 1HD PRO 14 2HD PRO 14 -6.617 15.913 3.305
98 2HD PRO 14 1HD PRO 14 -6.115 16.444 1.686
99 H ILE 15 H ILE 15 -1.561 13.744 3.138
100 HA ILE 15 HA ILE 15 -2.412 12.274 5.496
101 HB ILE 15 HB ILE 15 0.243 12.261 4.019
102 1HG1 ILE 15 2HG1 ILE 15 -1.780 10.058 3.936
103 2HG1 ILE 15 1HG1 ILE 15 -2.084 11.502 2.975
104 1HG2 ILE 15 1HG2 ILE 15 0.267 9.903 5.171
105 2HG2 ILE 15 2HG2 ILE 15 -0.856 10.647 6.308
106 3HG2 ILE 15 3HG2 ILE 15 0.760 11.317 6.106
107 1HD1 ILE 15 1HD1 ILE 15 -0.657 9.452 2.010
108 2HD1 ILE 15 2HD1 ILE 15 0.652 10.312 2.825
109 3HD1 ILE 15 3HD1 ILE 15 -0.290 11.121 1.577
110 H GLU 16 H GLU 16 -1.139 12.165 7.549
111 HA GLU 16 HA GLU 16 0.718 14.372 8.088
112 1HB GLU 16 2HB GLU 16 -0.851 15.200 9.999
113 2HB GLU 16 1HB GLU 16 -1.171 15.737 8.349
114 1HG GLU 16 2HG GLU 16 -2.958 14.208 8.073
115 2HG GLU 16 1HG GLU 16 -2.472 13.259 9.478
116 H GLY 17 H GLY 17 1.531 11.960 8.424
117 1HA GLY 17 2HA GLY 17 2.087 11.653 11.212
118 2HA GLY 17 1HA GLY 17 0.871 10.466 10.730
119 H ARG 18 H ARG 18 1.506 8.721 9.572
120 HA ARG 18 HA ARG 18 4.375 8.603 8.723
121 1HB ARG 18 2HB ARG 18 2.502 6.464 9.754
122 2HB ARG 18 1HB ARG 18 3.979 6.074 8.867
123 1HG ARG 18 2HG ARG 18 5.215 7.547 10.543
124 2HG ARG 18 1HG ARG 18 3.734 7.533 11.497
125 1HD ARG 18 2HD ARG 18 4.063 4.861 10.917
126 2HD ARG 18 1HD ARG 18 5.731 5.399 11.097
127 HE ARG 18 HE ARG 18 4.049 4.856 13.253
128 1HH1 ARG 18 1HH2 ARG 18 5.770 7.603 12.053
129 2HH1 ARG 18 2HH2 ARG 18 5.871 8.370 13.600
130 1HH2 ARG 18 1HH1 ARG 18 4.187 5.845 15.268
131 2HH2 ARG 18 2HH1 ARG 18 4.981 7.377 15.417
132 H VAL 19 H VAL 19 4.562 8.675 6.576
133 HA VAL 19 HA VAL 19 2.170 8.120 4.908
134 HB VAL 19 HB VAL 19 4.832 9.352 4.150
135 1HG1 VAL 19 1HG1 VAL 19 3.981 8.861 2.076
136 2HG1 VAL 19 2HG1 VAL 19 3.005 10.300 2.380
137 3HG1 VAL 19 3HG1 VAL 19 2.330 8.700 2.678
138 1HG2 VAL 19 1HG2 VAL 19 2.267 10.876 4.455
139 2HG2 VAL 19 2HG2 VAL 19 3.928 11.455 4.585
140 3HG2 VAL 19 3HG2 VAL 19 3.218 10.516 5.895
141 H VAL 20 H VAL 20 2.374 6.889 2.938
142 HA VAL 20 HA VAL 20 4.587 4.876 2.991
143 HB VAL 20 HB VAL 20 1.632 4.514 2.527
144 1HG1 VAL 20 1HG1 VAL 20 2.366 3.441 0.586
145 2HG1 VAL 20 2HG1 VAL 20 2.479 2.127 1.756
146 3HG1 VAL 20 3HG1 VAL 20 3.928 3.020 1.290
147 1HG2 VAL 20 1HG2 VAL 20 1.899 2.713 4.096
148 2HG2 VAL 20 2HG2 VAL 20 2.777 4.093 4.755
149 3HG2 VAL 20 3HG2 VAL 20 3.657 2.786 3.969
150 H ASN 21 H ASN 21 5.842 5.283 1.237
151 HA ASN 21 HA ASN 21 4.675 6.739 -1.044
152 1HB ASN 21 2HB ASN 21 7.485 5.886 -0.362
153 2HB ASN 21 1HB ASN 21 7.068 6.685 -1.874
154 1HD2 ASN 21 1HD2 ASN 21 4.933 7.859 0.409
155 2HD2 ASN 21 2HD2 ASN 21 5.780 9.250 0.887
156 H ALA 22 H ALA 22 3.534 5.440 -2.387
157 HA ALA 22 HA ALA 22 4.956 3.144 -3.616
158 1HB ALA 22 1HB ALA 22 3.162 1.603 -3.239
159 2HB ALA 22 2HB ALA 22 2.114 2.876 -2.611
160 3HB ALA 22 3HB ALA 22 3.506 2.335 -1.671
161 H MET 23 H MET 23 3.901 2.506 -5.675
162 HA MET 23 HA MET 23 2.930 3.081 -7.730
163 1HB MET 23 2HB MET 23 1.015 4.795 -6.145
164 2HB MET 23 1HB MET 23 0.719 3.968 -7.671
165 1HG MET 23 2HG MET 23 1.373 2.426 -5.158
166 2HG MET 23 1HG MET 23 -0.277 2.909 -5.536
167 1HE MET 23 1HE MET 23 1.347 -0.908 -6.551
168 2HE MET 23 2HE MET 23 0.344 -0.245 -5.260
169 3HE MET 23 3HE MET 23 2.001 0.319 -5.456
170 H GLY 24 H GLY 24 4.809 4.869 -6.115
171 1HA GLY 24 2HA GLY 24 5.998 6.848 -6.609
172 2HA GLY 24 1HA GLY 24 5.038 6.969 -8.086
173 H LYS 25 H LYS 25 3.543 6.588 -4.997
174 HA LYS 25 HA LYS 25 2.712 9.463 -4.966
175 1HB LYS 25 2HB LYS 25 0.956 7.013 -4.613
176 2HB LYS 25 1HB LYS 25 0.429 8.669 -4.341
177 1HG LYS 25 2HG LYS 25 1.592 8.731 -6.892
178 2HG LYS 25 1HG LYS 25 0.699 7.211 -6.853
179 1HD LYS 25 2HD LYS 25 -0.921 8.753 -7.575
180 2HD LYS 25 1HD LYS 25 -1.241 8.630 -5.851
181 1HE LYS 25 2HE LYS 25 -1.222 10.959 -6.272
182 2HE LYS 25 1HE LYS 25 0.374 10.630 -5.598
183 1HZ LYS 25 1HZ LYS 25 0.083 10.389 -8.488
184 2HZ LYS 25 2HZ LYS 25 1.387 10.978 -7.570
185 3HZ LYS 25 3HZ LYS 25 0.026 11.958 -7.847
186 H GLN 26 H GLN 26 0.943 9.002 -2.787
187 HA GLN 26 HA GLN 26 2.707 8.095 -0.563
188 1HB GLN 26 2HB GLN 26 1.316 10.757 -0.932
189 2HB GLN 26 1HB GLN 26 1.720 10.161 0.673
190 1HG GLN 26 2HG GLN 26 3.984 10.458 0.366
191 2HG GLN 26 1HG GLN 26 3.912 10.011 -1.334
192 1HE2 GLN 26 1HE2 GLN 26 1.521 12.327 -0.847
193 2HE2 GLN 26 2HE2 GLN 26 2.404 13.708 -1.283
194 H TRP 27 H TRP 27 1.419 7.062 1.097
195 HA TRP 27 HA TRP 27 -1.541 7.153 0.680
196 1HB TRP 27 2HB TRP 27 0.087 4.615 0.948
197 2HB TRP 27 1HB TRP 27 -1.659 4.719 0.742
198 HD1 TRP 27 HD TRP 27 1.626 5.325 -1.142
199 HE1 TRP 27 1HE TRP 27 1.125 5.366 -3.672
200 HE3 TRP 27 3HE TRP 27 -3.448 5.070 -1.019
201 HZ2 TRP 27 2HZ TRP 27 -1.152 5.298 -5.412
202 HZ3 TRP 27 3HZ TRP 27 -4.768 5.059 -3.105
203 HH2 TRP 27 HH TRP 27 -3.630 5.175 -5.306
204 H HIS 28 H HIS 28 -2.720 7.022 2.608
205 HA HIS 28 HA HIS 28 -1.383 7.446 5.102
206 1HB HIS 28 2HB HIS 28 -4.139 6.393 4.423
207 2HB HIS 28 1HB HIS 28 -3.581 6.458 6.089
208 HD2 HIS 28 2HD HIS 28 -2.594 9.283 6.704
209 HE1 HIS 28 1HE HIS 28 -5.573 10.900 4.185
210 HE2 HIS 28 2HE HIS 28 -3.906 11.437 6.026
211 H VAL 29 H VAL 29 -0.527 5.927 6.552
212 HA VAL 29 HA VAL 29 0.297 3.406 5.588
213 HB VAL 29 HB VAL 29 0.050 4.595 8.346
214 1HG1 VAL 29 1HG1 VAL 29 1.413 2.530 9.059
215 2HG1 VAL 29 2HG1 VAL 29 0.814 1.773 7.583
216 3HG1 VAL 29 3HG1 VAL 29 -0.321 2.300 8.825
217 1HG2 VAL 29 1HG2 VAL 29 1.840 5.172 6.551
218 2HG2 VAL 29 2HG2 VAL 29 2.505 3.578 6.921
219 3HG2 VAL 29 3HG2 VAL 29 2.389 4.796 8.185
220 H GLU 30 H GLU 30 -2.730 4.429 6.879
221 HA GLU 30 HA GLU 30 -3.563 1.655 7.460
222 1HB GLU 30 2HB GLU 30 -5.726 2.805 8.161
223 2HB GLU 30 1HB GLU 30 -4.296 3.209 9.112
224 1HG GLU 30 2HG GLU 30 -4.038 5.310 8.038
225 2HG GLU 30 1HG GLU 30 -5.142 4.867 6.734
226 H HIS 31 H HIS 31 -3.798 3.983 4.900
227 HA HIS 31 HA HIS 31 -6.100 2.506 3.707
228 1HB HIS 31 2HB HIS 31 -4.789 5.110 2.861
229 2HB HIS 31 1HB HIS 31 -6.173 4.366 2.066
230 HD2 HIS 31 2HD HIS 31 -7.502 3.526 5.172
231 HE1 HIS 31 1HE HIS 31 -8.004 7.708 5.373
232 HE2 HIS 31 2HE HIS 31 -8.723 5.491 6.371
233 H PHE 32 H PHE 32 -2.738 2.445 3.610
234 HA PHE 32 HA PHE 32 -2.601 1.747 0.753
235 1HB PHE 32 2HB PHE 32 -0.651 2.826 2.033
236 2HB PHE 32 1HB PHE 32 -0.426 1.255 2.804
237 HD1 PHE 32 1HD PHE 32 1.176 -0.115 1.799
238 HD2 PHE 32 2HD PHE 32 -1.134 2.534 -0.667
239 HE1 PHE 32 1HE PHE 32 2.333 -0.975 -0.214
240 HE2 PHE 32 2HE PHE 32 0.028 1.680 -2.673
241 HZ PHE 32 HZ PHE 32 1.766 -0.075 -2.451
242 H VAL 33 H VAL 33 -3.728 -0.068 0.369
243 HA VAL 33 HA VAL 33 -3.151 -2.459 2.069
244 HB VAL 33 HB VAL 33 -5.461 -3.153 1.665
245 1HG1 VAL 33 1HG1 VAL 33 -4.726 -0.709 3.083
246 2HG1 VAL 33 2HG1 VAL 33 -5.850 -1.987 3.558
247 3HG1 VAL 33 3HG1 VAL 33 -6.403 -0.662 2.540
248 1HG2 VAL 33 1HG2 VAL 33 -7.004 -1.514 0.528
249 2HG2 VAL 33 2HG2 VAL 33 -5.797 -2.221 -0.547
250 3HG2 VAL 33 3HG2 VAL 33 -5.581 -0.580 0.067
251 H CYS 34 H CYS 34 -3.957 -4.462 0.888
252 HA CYS 34 HA CYS 34 -2.420 -4.849 -1.506
253 1HB CYS 34 2HB CYS 34 -2.729 -6.747 -0.196
254 2HB CYS 34 1HB CYS 34 -4.438 -6.435 0.052
255 H ALA 35 H ALA 35 -3.173 -5.163 -3.656
256 HA ALA 35 HA ALA 35 -5.673 -3.701 -4.260
257 1HB ALA 35 1HB ALA 35 -3.766 -4.870 -6.276
258 2HB ALA 35 2HB ALA 35 -3.373 -3.380 -5.416
259 3HB ALA 35 3HB ALA 35 -4.811 -3.460 -6.440
260 H LYS 36 H LYS 36 -5.582 -6.519 -3.140
261 HA LYS 36 HA LYS 36 -7.295 -7.776 -5.247
262 1HB LYS 36 2HB LYS 36 -5.114 -8.943 -5.217
263 2HB LYS 36 1HB LYS 36 -5.276 -9.211 -3.488
264 1HG LYS 36 2HG LYS 36 -5.931 -11.212 -4.775
265 2HG LYS 36 1HG LYS 36 -7.295 -10.560 -3.871
266 1HD LYS 36 2HD LYS 36 -8.344 -9.732 -5.789
267 2HD LYS 36 1HD LYS 36 -6.837 -9.657 -6.703
268 1HE LYS 36 2HE LYS 36 -8.346 -11.521 -7.434
269 2HE LYS 36 1HE LYS 36 -6.766 -12.079 -6.883
270 1HZ LYS 36 1HZ LYS 36 -7.754 -12.514 -4.699
271 2HZ LYS 36 2HZ LYS 36 -8.495 -13.428 -5.926
272 3HZ LYS 36 3HZ LYS 36 -9.274 -12.056 -5.294
273 H CYS 37 H CYS 37 -6.557 -7.323 -1.840
274 HA CYS 37 HA CYS 37 -9.303 -8.328 -1.189
275 1HB CYS 37 2HB CYS 37 -8.425 -9.420 0.793
276 2HB CYS 37 1HB CYS 37 -7.503 -9.973 -0.604
277 H GLU 38 H GLU 38 -7.011 -5.827 -0.944
278 HA GLU 38 HA GLU 38 -7.077 -3.790 0.137
279 1HB GLU 38 2HB GLU 38 -9.880 -4.592 0.965
280 2HB GLU 38 1HB GLU 38 -9.208 -2.965 0.979
281 1HG GLU 38 2HG GLU 38 -10.367 -2.976 -1.048
282 2HG GLU 38 1HG GLU 38 -8.738 -3.417 -1.562
283 H LYS 39 H LYS 39 -5.745 -5.740 1.475
284 HA LYS 39 HA LYS 39 -6.646 -5.528 4.306
285 1HB LYS 39 2HB LYS 39 -4.903 -7.425 2.803
286 2HB LYS 39 1HB LYS 39 -4.479 -7.110 4.484
287 1HG LYS 39 2HG LYS 39 -7.139 -7.490 4.790
288 2HG LYS 39 1HG LYS 39 -6.874 -8.489 3.365
289 1HD LYS 39 2HD LYS 39 -4.889 -9.496 4.673
290 2HD LYS 39 1HD LYS 39 -5.614 -8.735 6.092
291 1HE LYS 39 2HE LYS 39 -7.704 -9.952 5.716
292 2HE LYS 39 1HE LYS 39 -7.049 -10.663 4.240
293 1HZ LYS 39 1HZ LYS 39 -5.706 -10.995 6.852
294 2HZ LYS 39 2HZ LYS 39 -5.512 -11.916 5.437
295 3HZ LYS 39 3HZ LYS 39 -6.940 -12.045 6.349
296 HA PRO 40 HA PRO 40 -3.678 -2.155 4.232
297 1HB PRO 40 2HB PRO 40 -4.229 -1.543 6.927
298 2HB PRO 40 1HB PRO 40 -4.887 -0.727 5.529
299 1HG PRO 40 2HG PRO 40 -6.219 -2.513 7.364
300 2HG PRO 40 1HG PRO 40 -6.930 -1.608 6.034
301 1HD PRO 40 2HD PRO 40 -6.407 -4.434 6.166
302 2HD PRO 40 1HD PRO 40 -7.082 -3.533 4.798
303 H PHE 41 H PHE 41 -1.617 -2.069 4.796
304 HA PHE 41 HA PHE 41 -0.560 -4.170 6.625
305 1HB PHE 41 2HB PHE 41 1.204 -2.278 5.113
306 2HB PHE 41 1HB PHE 41 1.471 -3.971 5.519
307 HD1 PHE 41 1HD PHE 41 -0.065 -5.714 4.426
308 HD2 PHE 41 2HD PHE 41 0.348 -1.695 3.003
309 HE1 PHE 41 1HE PHE 41 -0.929 -6.412 2.207
310 HE2 PHE 41 2HE PHE 41 -0.511 -2.383 0.780
311 HZ PHE 41 HZ PHE 41 -1.140 -4.747 0.380
312 H LEU 42 H LEU 42 -1.784 -2.533 8.205
313 HA LEU 42 HA LEU 42 -0.901 -0.055 9.006
314 1HB LEU 42 2HB LEU 42 -1.726 -2.483 10.564
315 2HB LEU 42 1HB LEU 42 -1.113 -1.086 11.443
316 HG LEU 42 HG LEU 42 -2.807 0.351 10.387
317 1HD1 LEU 42 1HD1 LEU 42 -3.453 -2.185 8.902
318 2HD1 LEU 42 2HD1 LEU 42 -3.014 -0.606 8.242
319 3HD1 LEU 42 3HD1 LEU 42 -4.588 -0.835 9.010
320 1HD2 LEU 42 1HD2 LEU 42 -3.652 -0.595 12.390
321 2HD2 LEU 42 2HD2 LEU 42 -3.772 -2.204 11.675
322 3HD2 LEU 42 3HD2 LEU 42 -4.907 -0.940 11.197
323 H GLY 43 H GLY 43 0.604 -3.098 10.087
324 1HA GLY 43 2HA GLY 43 3.220 -1.662 10.226
325 2HA GLY 43 1HA GLY 43 2.686 -2.655 11.581
326 H HIS 44 H HIS 44 2.013 -3.507 8.252
327 HA HIS 44 HA HIS 44 3.909 -5.815 8.541
328 1HB HIS 44 2HB HIS 44 1.581 -5.957 6.665
329 2HB HIS 44 1HB HIS 44 2.351 -7.240 7.597
330 HD1 HIS 44 1HD HIS 44 -0.796 -6.108 7.513
331 HD2 HIS 44 2HD HIS 44 1.980 -5.919 10.614
332 HE1 HIS 44 1HE HIS 44 -2.128 -5.842 9.650
333 H ARG 45 H ARG 45 4.646 -6.682 6.374
334 HA ARG 45 HA ARG 45 5.644 -4.452 4.746
335 1HB ARG 45 2HB ARG 45 7.268 -6.128 5.060
336 2HB ARG 45 1HB ARG 45 6.106 -7.430 4.824
337 1HG ARG 45 2HG ARG 45 6.026 -7.073 2.468
338 2HG ARG 45 1HG ARG 45 6.840 -5.515 2.602
339 1HD ARG 45 2HD ARG 45 8.863 -6.729 3.480
340 2HD ARG 45 1HD ARG 45 8.042 -8.247 3.118
341 HE ARG 45 HE ARG 45 7.936 -6.854 0.726
342 1HH1 ARG 45 1HH2 ARG 45 10.376 -7.762 2.987
343 2HH1 ARG 45 2HH2 ARG 45 11.624 -7.888 1.793
344 1HH2 ARG 45 1HH1 ARG 45 9.553 -7.014 -0.847
345 2HH2 ARG 45 2HH1 ARG 45 11.158 -7.465 -0.378
346 H HIS 46 H HIS 46 5.220 -4.231 2.458
347 HA HIS 46 HA HIS 46 2.712 -5.613 1.570
348 1HB HIS 46 2HB HIS 46 2.457 -3.572 0.053
349 2HB HIS 46 1HB HIS 46 2.156 -3.325 1.763
350 HD1 HIS 46 1HD HIS 46 4.093 -2.133 3.152
351 HD2 HIS 46 2HD HIS 46 4.636 -2.148 -0.983
352 HE1 HIS 46 1HE HIS 46 5.916 -0.444 2.663
353 H TYR 47 H TYR 47 2.540 -5.644 -0.855
354 HA TYR 47 HA TYR 47 5.195 -6.039 -2.158
355 1HB TYR 47 2HB TYR 47 2.836 -7.907 -2.439
356 2HB TYR 47 1HB TYR 47 4.477 -8.173 -2.995
357 HD1 TYR 47 1HD TYR 47 6.007 -9.305 -1.593
358 HD2 TYR 47 2HD TYR 47 2.542 -7.444 0.135
359 HE1 TYR 47 1HE TYR 47 6.627 -10.181 0.643
360 HE2 TYR 47 2HE TYR 47 3.178 -8.319 2.357
361 HH TYR 47 HH TYR 47 6.095 -10.331 2.771
362 H GLU 48 H GLU 48 5.255 -5.240 -4.245
363 HA GLU 48 HA GLU 48 2.709 -4.040 -5.271
364 1HB GLU 48 2HB GLU 48 5.576 -3.197 -5.327
365 2HB GLU 48 1HB GLU 48 4.550 -2.722 -6.681
366 1HG GLU 48 2HG GLU 48 2.934 -1.729 -5.108
367 2HG GLU 48 1HG GLU 48 3.965 -2.189 -3.754
368 H ARG 49 H ARG 49 2.021 -4.450 -7.312
369 HA ARG 49 HA ARG 49 3.786 -5.913 -9.182
370 1HB ARG 49 2HB ARG 49 2.597 -7.701 -7.971
371 2HB ARG 49 1HB ARG 49 1.053 -6.955 -8.389
372 1HG ARG 49 2HG ARG 49 1.360 -7.327 -10.712
373 2HG ARG 49 1HG ARG 49 3.069 -7.693 -10.506
374 1HD ARG 49 2HD ARG 49 1.890 -9.593 -8.906
375 2HD ARG 49 1HD ARG 49 0.724 -9.448 -10.216
376 HE ARG 49 HE ARG 49 3.129 -10.870 -10.417
377 1HH1 ARG 49 1HH2 ARG 49 1.636 -8.200 -12.020
378 2HH1 ARG 49 2HH2 ARG 49 2.504 -8.440 -13.495
379 1HH2 ARG 49 1HH1 ARG 49 4.254 -11.194 -12.336
380 2HH2 ARG 49 2HH1 ARG 49 3.981 -10.133 -13.677
381 H LYS 50 H LYS 50 3.380 -5.362 -11.283
382 HA LYS 50 HA LYS 50 2.508 -4.101 -13.047
383 1HB LYS 50 2HB LYS 50 0.148 -5.355 -11.685
384 2HB LYS 50 1HB LYS 50 -0.157 -4.165 -12.949
385 1HG LYS 50 2HG LYS 50 1.860 -6.285 -13.549
386 2HG LYS 50 1HG LYS 50 0.171 -6.785 -13.490
387 1HD LYS 50 2HD LYS 50 0.884 -4.307 -15.028
388 2HD LYS 50 1HD LYS 50 1.221 -5.881 -15.751
389 1HE LYS 50 2HE LYS 50 -1.136 -6.537 -15.427
390 2HE LYS 50 1HE LYS 50 -1.476 -4.964 -14.705
391 1HZ LYS 50 1HZ LYS 50 -0.540 -5.466 -17.478
392 2HZ LYS 50 2HZ LYS 50 -0.748 -3.926 -16.789
393 3HZ LYS 50 3HZ LYS 50 -2.088 -4.948 -17.015
394 H GLY 51 H GLY 51 2.954 -2.854 -10.320
395 1HA GLY 51 2HA GLY 51 2.844 -0.577 -9.665
396 2HA GLY 51 1HA GLY 51 1.771 -0.282 -11.032
397 H LEU 52 H LEU 52 1.246 -2.843 -8.751
398 HA LEU 52 HA LEU 52 -0.911 -1.304 -7.410
399 1HB LEU 52 2HB LEU 52 -1.206 -3.850 -8.985
400 2HB LEU 52 1HB LEU 52 -2.298 -3.504 -7.649
401 HG LEU 52 HG LEU 52 -1.795 -1.675 -10.012
402 1HD1 LEU 52 1HD1 LEU 52 -4.275 -2.348 -10.429
403 2HD1 LEU 52 2HD1 LEU 52 -3.914 -3.724 -9.384
404 3HD1 LEU 52 3HD1 LEU 52 -3.009 -3.492 -10.881
405 1HD2 LEU 52 1HD2 LEU 52 -2.588 -0.157 -8.500
406 2HD2 LEU 52 2HD2 LEU 52 -3.229 -1.404 -7.428
407 3HD2 LEU 52 3HD2 LEU 52 -4.154 -0.896 -8.845
408 H ALA 53 H ALA 53 -1.252 -1.953 -5.287
409 HA ALA 53 HA ALA 53 0.917 -3.473 -4.085
410 1HB ALA 53 1HB ALA 53 -0.411 -3.086 -1.960
411 2HB ALA 53 2HB ALA 53 -1.602 -2.243 -2.958
412 3HB ALA 53 3HB ALA 53 0.043 -1.617 -2.831
413 H TYR 54 H TYR 54 0.730 -5.407 -2.892
414 HA TYR 54 HA TYR 54 -1.789 -6.904 -2.983
415 1HB TYR 54 2HB TYR 54 0.691 -7.742 -4.490
416 2HB TYR 54 1HB TYR 54 -0.540 -8.893 -3.986
417 HD1 TYR 54 1HD TYR 54 0.382 -6.385 -6.376
418 HD2 TYR 54 2HD TYR 54 -2.946 -8.515 -4.706
419 HE1 TYR 54 1HE TYR 54 -0.981 -5.750 -8.308
420 HE2 TYR 54 2HE TYR 54 -4.334 -7.851 -6.677
421 HH TYR 54 HH TYR 54 -3.969 -5.575 -8.495
422 H CYS 55 H CYS 55 -1.890 -8.277 -1.183
423 HA CYS 55 HA CYS 55 0.017 -7.944 0.881
424 1HB CYS 55 2HB CYS 55 -1.784 -10.356 0.419
425 2HB CYS 55 1HB CYS 55 -0.986 -9.952 1.934
426 H GLU 56 H GLU 56 1.257 -10.011 1.776
427 HA GLU 56 HA GLU 56 3.299 -10.746 -0.084
428 1HB GLU 56 2HB GLU 56 3.448 -10.856 2.457
429 2HB GLU 56 1HB GLU 56 2.486 -12.322 2.374
430 1HG GLU 56 2HG GLU 56 4.161 -13.497 1.184
431 2HG GLU 56 1HG GLU 56 5.024 -12.018 0.770
432 H THR 57 H THR 57 0.295 -12.307 0.884
433 HA THR 57 HA THR 57 0.885 -14.731 -0.651
434 HB THR 57 HB THR 57 -1.573 -13.864 0.882
435 HG1 THR 57 1HG THR 57 0.788 -14.956 1.551
436 1HG2 THR 57 1HG2 THR 57 -0.897 -16.409 -0.600
437 2HG2 THR 57 2HG2 THR 57 -2.328 -15.395 -0.780
438 3HG2 THR 57 3HG2 THR 57 -2.108 -16.358 0.681
439 H HIS 58 H HIS 58 -1.420 -12.010 -0.957
440 HA HIS 58 HA HIS 58 -2.632 -13.122 -3.296
441 1HB HIS 58 2HB HIS 58 -2.514 -10.282 -2.271
442 2HB HIS 58 1HB HIS 58 -3.493 -10.791 -3.644
443 HD2 HIS 58 2HD HIS 58 -4.603 -13.646 -2.351
444 HE1 HIS 58 1HE HIS 58 -6.169 -11.225 0.729
445 HE2 HIS 58 2HE HIS 58 -6.280 -13.512 -0.362
446 H TYR 59 H TYR 59 -0.017 -10.774 -2.797
447 HA TYR 59 HA TYR 59 0.541 -10.114 -5.455
448 1HB TYR 59 2HB TYR 59 1.808 -9.156 -3.614
449 2HB TYR 59 1HB TYR 59 2.386 -10.731 -3.123
450 HD1 TYR 59 1HD TYR 59 2.101 -9.562 -6.638
451 HD2 TYR 59 2HD TYR 59 4.738 -10.376 -3.347
452 HE1 TYR 59 1HE TYR 59 4.026 -9.342 -8.122
453 HE2 TYR 59 2HE TYR 59 6.686 -10.134 -4.857
454 HH TYR 59 HH TYR 59 6.555 -8.708 -7.810
455 H ASN 60 H ASN 60 1.831 -12.733 -3.493
456 HA ASN 60 HA ASN 60 3.077 -14.063 -5.676
457 1HB ASN 60 2HB ASN 60 2.314 -14.923 -2.891
458 2HB ASN 60 1HB ASN 60 3.008 -16.070 -4.036
459 1HD2 ASN 60 1HD2 ASN 60 3.728 -13.356 -1.948
460 2HD2 ASN 60 2HD2 ASN 60 5.393 -13.296 -2.272
461 H GLN 61 H GLN 61 -0.044 -14.581 -4.015
462 HA GLN 61 HA GLN 61 -0.887 -16.837 -5.525
463 1HB GLN 61 2HB GLN 61 -2.140 -15.560 -3.595
464 2HB GLN 61 1HB GLN 61 -2.820 -14.605 -4.914
465 1HG GLN 61 2HG GLN 61 -4.359 -16.393 -4.550
466 2HG GLN 61 1HG GLN 61 -3.460 -16.822 -6.005
467 1HE2 GLN 61 1HE2 GLN 61 -3.712 -17.509 -2.508
468 2HE2 GLN 61 2HE2 GLN 61 -2.913 -19.005 -2.581
469 H LEU 62 H LEU 62 -0.880 -13.420 -6.208
470 HA LEU 62 HA LEU 62 -2.171 -13.595 -8.788
471 1HB LEU 62 2HB LEU 62 -0.674 -11.529 -7.232
472 2HB LEU 62 1HB LEU 62 -0.753 -11.304 -8.971
473 HG LEU 62 HG LEU 62 -3.336 -11.798 -8.582
474 1HD1 LEU 62 1HD1 LEU 62 -3.129 -12.266 -6.178
475 2HD1 LEU 62 2HD1 LEU 62 -4.097 -10.817 -6.446
476 3HD1 LEU 62 3HD1 LEU 62 -2.420 -10.669 -5.926
477 1HD2 LEU 62 1HD2 LEU 62 -1.946 -9.194 -7.929
478 2HD2 LEU 62 2HD2 LEU 62 -3.661 -9.347 -8.318
479 3HD2 LEU 62 3HD2 LEU 62 -2.442 -9.740 -9.530
480 H PHE 63 H PHE 63 1.163 -13.579 -7.644
481 HA PHE 63 HA PHE 63 2.040 -14.853 -10.153
482 1HB PHE 63 2HB PHE 63 2.663 -12.040 -9.371
483 2HB PHE 63 1HB PHE 63 3.953 -12.980 -10.111
484 HD1 PHE 63 1HD PHE 63 0.561 -11.618 -10.573
485 HD2 PHE 63 2HD PHE 63 3.843 -13.654 -12.441
486 HE1 PHE 63 1HE PHE 63 -0.476 -11.241 -12.799
487 HE2 PHE 63 2HE PHE 63 2.813 -13.280 -14.667
488 HZ PHE 63 HZ PHE 63 0.652 -12.073 -14.845
489 H GLY 64 H GLY 64 4.029 -12.992 -7.957
490 1HA GLY 64 2HA GLY 64 5.427 -13.719 -6.175
491 2HA GLY 64 1HA GLY 64 4.833 -15.365 -6.412
492 H ASP 65 H ASP 65 6.067 -13.378 -9.030
493 HA ASP 65 HA ASP 65 8.764 -14.374 -8.985
494 1HB ASP 65 2HB ASP 65 7.731 -16.518 -9.521
495 2HB ASP 65 1HB ASP 65 6.815 -15.780 -10.835
496 H VAL 66 H VAL 66 9.092 -12.138 -9.486
497 HA VAL 66 HA VAL 66 9.096 -10.205 -10.845
498 HB VAL 66 HB VAL 66 10.940 -11.624 -11.712
499 1HG1 VAL 66 1HG1 VAL 66 9.785 -13.581 -12.474
500 2HG1 VAL 66 2HG1 VAL 66 10.491 -12.828 -13.901
501 3HG1 VAL 66 3HG1 VAL 66 8.773 -12.640 -13.568
502 1HG2 VAL 66 1HG2 VAL 66 11.365 -10.209 -13.479
503 2HG2 VAL 66 2HG2 VAL 66 9.973 -9.358 -12.811
504 3HG2 VAL 66 3HG2 VAL 66 9.768 -10.438 -14.190
Start of MODEL 14
1 1H GLY 1 1HT GLY 1 9.524 26.625 0.607
2 2H GLY 1 2HT GLY 1 10.373 25.583 1.646
3 3H GLY 1 3HT GLY 1 10.291 27.245 1.986
4 1HA GLY 1 2HA GLY 1 8.555 25.220 2.825
5 2HA GLY 1 1HA GLY 1 8.468 26.946 3.177
6 H SER 2 H SER 2 8.354 25.810 -0.126
7 HA SER 2 HA SER 2 5.884 27.170 -0.649
8 1HB SER 2 2HB SER 2 7.054 24.912 -2.290
9 2HB SER 2 1HB SER 2 6.013 26.219 -2.850
10 HG SER 2 HG SER 2 8.726 26.229 -2.165
11 H MET 3 H MET 3 4.486 25.171 -2.188
12 HA MET 3 HA MET 3 2.655 24.167 -0.321
13 1HB MET 3 2HB MET 3 3.319 22.649 -2.844
14 2HB MET 3 1HB MET 3 1.747 22.867 -2.074
15 1HG MET 3 2HG MET 3 3.373 24.931 -3.572
16 2HG MET 3 1HG MET 3 1.764 24.328 -3.969
17 1HE MET 3 1HE MET 3 3.487 27.315 -2.844
18 2HE MET 3 2HE MET 3 1.979 28.208 -2.659
19 3HE MET 3 3HE MET 3 2.227 27.196 -4.080
20 H GLY 4 H GLY 4 2.277 21.783 0.201
21 1HA GLY 4 2HA GLY 4 4.480 19.931 0.144
22 2HA GLY 4 1HA GLY 4 4.392 20.722 1.718
23 H VAL 5 H VAL 5 3.679 18.949 2.910
24 HA VAL 5 HA VAL 5 2.160 17.403 3.770
25 HB VAL 5 HB VAL 5 0.447 19.504 2.522
26 1HG1 VAL 5 1HG1 VAL 5 -0.890 17.683 1.834
27 2HG1 VAL 5 2HG1 VAL 5 -1.547 18.123 3.412
28 3HG1 VAL 5 3HG1 VAL 5 -0.475 16.731 3.264
29 1HG2 VAL 5 1HG2 VAL 5 -0.529 19.420 4.858
30 2HG2 VAL 5 2HG2 VAL 5 1.183 19.849 4.793
31 3HG2 VAL 5 3HG2 VAL 5 0.698 18.215 5.253
32 HA PRO 6 HA PRO 6 1.909 14.582 0.316
33 1HB PRO 6 2HB PRO 6 1.520 12.386 2.056
34 2HB PRO 6 1HB PRO 6 3.070 12.951 1.433
35 1HG PRO 6 2HG PRO 6 2.114 13.111 4.147
36 2HG PRO 6 1HG PRO 6 3.668 13.646 3.505
37 1HD PRO 6 2HD PRO 6 1.344 15.257 4.238
38 2HD PRO 6 1HD PRO 6 2.984 15.776 3.839
39 H ILE 7 H ILE 7 0.276 13.008 -0.410
40 HA ILE 7 HA ILE 7 -2.344 13.332 0.958
41 HB ILE 7 HB ILE 7 -1.671 13.978 -1.906
42 1HG1 ILE 7 2HG1 ILE 7 -3.365 15.319 0.204
43 2HG1 ILE 7 1HG1 ILE 7 -1.675 15.699 -0.068
44 1HG2 ILE 7 1HG2 ILE 7 -4.300 13.100 -0.705
45 2HG2 ILE 7 2HG2 ILE 7 -3.512 12.490 -2.161
46 3HG2 ILE 7 3HG2 ILE 7 -4.226 14.102 -2.153
47 1HD1 ILE 7 1HD1 ILE 7 -3.529 17.159 -1.197
48 2HD1 ILE 7 2HD1 ILE 7 -3.633 15.822 -2.348
49 3HD1 ILE 7 3HD1 ILE 7 -2.111 16.692 -2.141
50 H CYS 8 H CYS 8 -3.216 11.433 1.318
51 HA CYS 8 HA CYS 8 -2.062 9.007 0.410
52 1HB CYS 8 2HB CYS 8 -3.290 8.993 2.460
53 2HB CYS 8 1HB CYS 8 -4.731 9.620 1.672
54 H GLY 9 H GLY 9 -2.156 8.177 -1.554
55 1HA GLY 9 2HA GLY 9 -3.916 9.129 -3.598
56 2HA GLY 9 1HA GLY 9 -2.907 7.694 -3.725
57 H ALA 10 H ALA 10 -4.645 7.313 -0.959
58 HA ALA 10 HA ALA 10 -6.476 5.424 -2.281
59 1HB ALA 10 1HB ALA 10 -6.682 4.405 -0.215
60 2HB ALA 10 2HB ALA 10 -6.555 5.929 0.665
61 3HB ALA 10 3HB ALA 10 -5.112 5.175 -0.007
62 H CYS 11 H CYS 11 -6.629 8.434 -0.454
63 HA CYS 11 HA CYS 11 -9.503 8.670 -1.247
64 1HB CYS 11 2HB CYS 11 -9.640 10.057 0.976
65 2HB CYS 11 1HB CYS 11 -9.713 8.298 1.061
66 H ARG 12 H ARG 12 -6.497 9.801 -1.747
67 HA ARG 12 HA ARG 12 -5.616 11.830 -2.485
68 1HB ARG 12 2HB ARG 12 -8.525 11.990 -3.273
69 2HB ARG 12 1HB ARG 12 -7.448 13.353 -3.571
70 1HG ARG 12 2HG ARG 12 -7.285 12.128 -5.565
71 2HG ARG 12 1HG ARG 12 -5.876 11.576 -4.662
72 1HD ARG 12 2HD ARG 12 -7.818 9.832 -3.787
73 2HD ARG 12 1HD ARG 12 -8.301 10.089 -5.461
74 HE ARG 12 HE ARG 12 -6.237 8.378 -4.704
75 1HH1 ARG 12 1HH2 ARG 12 -6.534 11.227 -6.640
76 2HH1 ARG 12 2HH2 ARG 12 -5.149 10.862 -7.610
77 1HH2 ARG 12 1HH1 ARG 12 -4.443 7.894 -5.972
78 2HH2 ARG 12 2HH1 ARG 12 -3.971 8.979 -7.236
79 H ARG 13 H ARG 13 -6.152 11.638 0.259
80 HA ARG 13 HA ARG 13 -7.099 14.394 0.930
81 1HB ARG 13 2HB ARG 13 -7.280 11.767 2.373
82 2HB ARG 13 1HB ARG 13 -7.211 13.254 3.319
83 1HG ARG 13 2HG ARG 13 -9.128 14.127 1.930
84 2HG ARG 13 1HG ARG 13 -9.259 12.524 1.208
85 1HD ARG 13 2HD ARG 13 -9.375 11.671 3.661
86 2HD ARG 13 1HD ARG 13 -9.748 13.347 4.065
87 HE ARG 13 HE ARG 13 -11.517 12.757 2.018
88 1HH1 ARG 13 1HH2 ARG 13 -10.633 11.353 5.041
89 2HH1 ARG 13 2HH2 ARG 13 -12.203 10.689 5.344
90 1HH2 ARG 13 1HH1 ARG 13 -13.575 11.898 2.397
91 2HH2 ARG 13 2HH1 ARG 13 -13.868 10.997 3.846
92 HA PRO 14 HA PRO 14 -2.918 15.306 1.939
93 1HB PRO 14 2HB PRO 14 -3.641 16.988 4.170
94 2HB PRO 14 1HB PRO 14 -3.103 17.464 2.557
95 1HG PRO 14 2HG PRO 14 -5.745 17.683 3.620
96 2HG PRO 14 1HG PRO 14 -5.189 18.093 1.989
97 1HD PRO 14 2HD PRO 14 -6.829 15.841 2.782
98 2HD PRO 14 1HD PRO 14 -6.287 16.287 1.150
99 H ILE 15 H ILE 15 -1.746 13.732 2.873
100 HA ILE 15 HA ILE 15 -2.624 12.356 5.282
101 HB ILE 15 HB ILE 15 0.055 12.322 3.852
102 1HG1 ILE 15 2HG1 ILE 15 -1.921 10.082 3.803
103 2HG1 ILE 15 1HG1 ILE 15 -2.245 11.489 2.794
104 1HG2 ILE 15 1HG2 ILE 15 -1.073 10.750 6.159
105 2HG2 ILE 15 2HG2 ILE 15 0.524 11.476 6.000
106 3HG2 ILE 15 3HG2 ILE 15 0.118 10.021 5.082
107 1HD1 ILE 15 1HD1 ILE 15 0.493 10.263 2.758
108 2HD1 ILE 15 2HD1 ILE 15 -0.334 11.171 1.498
109 3HD1 ILE 15 3HD1 ILE 15 -0.804 9.504 1.834
110 H GLU 16 H GLU 16 -1.349 12.366 7.353
111 HA GLU 16 HA GLU 16 0.444 14.648 7.788
112 1HB GLU 16 2HB GLU 16 -1.171 15.514 9.653
113 2HB GLU 16 1HB GLU 16 -1.471 15.977 7.977
114 1HG GLU 16 2HG GLU 16 -3.194 14.355 7.728
115 2HG GLU 16 1HG GLU 16 -2.736 13.530 9.219
116 H GLY 17 H GLY 17 1.333 12.286 8.258
117 1HA GLY 17 2HA GLY 17 1.888 12.158 11.057
118 2HA GLY 17 1HA GLY 17 0.710 10.907 10.646
119 H ARG 18 H ARG 18 1.414 9.105 9.639
120 HA ARG 18 HA ARG 18 4.285 9.022 8.791
121 1HB ARG 18 2HB ARG 18 2.455 6.949 9.993
122 2HB ARG 18 1HB ARG 18 3.828 6.457 9.000
123 1HG ARG 18 2HG ARG 18 5.292 7.891 10.486
124 2HG ARG 18 1HG ARG 18 3.900 8.074 11.554
125 1HD ARG 18 2HD ARG 18 4.947 5.375 10.684
126 2HD ARG 18 1HD ARG 18 5.500 6.183 12.152
127 HE ARG 18 HE ARG 18 2.744 6.203 12.399
128 1HH1 ARG 18 1HH2 ARG 18 5.175 3.841 11.763
129 2HH1 ARG 18 2HH2 ARG 18 4.303 2.548 12.517
130 1HH2 ARG 18 1HH1 ARG 18 1.592 4.529 13.384
131 2HH2 ARG 18 2HH1 ARG 18 2.273 2.937 13.435
132 H VAL 19 H VAL 19 4.493 8.976 6.629
133 HA VAL 19 HA VAL 19 2.110 8.313 4.985
134 HB VAL 19 HB VAL 19 4.766 9.499 4.134
135 1HG1 VAL 19 1HG1 VAL 19 2.849 10.379 2.388
136 2HG1 VAL 19 2HG1 VAL 19 2.258 8.758 2.746
137 3HG1 VAL 19 3HG1 VAL 19 3.881 8.979 2.094
138 1HG2 VAL 19 1HG2 VAL 19 3.826 11.646 4.373
139 2HG2 VAL 19 2HG2 VAL 19 3.334 10.815 5.848
140 3HG2 VAL 19 3HG2 VAL 19 2.189 11.010 4.520
141 H VAL 20 H VAL 20 2.338 6.977 3.080
142 HA VAL 20 HA VAL 20 4.580 5.002 3.258
143 HB VAL 20 HB VAL 20 1.641 4.575 2.741
144 1HG1 VAL 20 1HG1 VAL 20 2.445 3.438 0.864
145 2HG1 VAL 20 2HG1 VAL 20 2.551 2.173 2.088
146 3HG1 VAL 20 3HG1 VAL 20 3.996 3.076 1.624
147 1HG2 VAL 20 1HG2 VAL 20 2.703 4.260 5.015
148 2HG2 VAL 20 2HG2 VAL 20 3.673 2.967 4.312
149 3HG2 VAL 20 3HG2 VAL 20 1.917 2.818 4.374
150 H ASN 21 H ASN 21 5.875 5.454 1.549
151 HA ASN 21 HA ASN 21 4.725 6.758 -0.821
152 1HB ASN 21 2HB ASN 21 7.529 6.094 0.039
153 2HB ASN 21 1HB ASN 21 7.173 6.731 -1.564
154 1HD2 ASN 21 1HD2 ASN 21 6.317 7.495 1.867
155 2HD2 ASN 21 2HD2 ASN 21 6.450 9.175 1.675
156 H ALA 22 H ALA 22 3.699 5.377 -2.164
157 HA ALA 22 HA ALA 22 5.267 3.095 -3.246
158 1HB ALA 22 1HB ALA 22 3.705 2.298 -1.390
159 2HB ALA 22 2HB ALA 22 3.470 1.531 -2.962
160 3HB ALA 22 3HB ALA 22 2.367 2.799 -2.425
161 H MET 23 H MET 23 4.381 2.411 -5.375
162 HA MET 23 HA MET 23 3.551 2.958 -7.504
163 1HB MET 23 2HB MET 23 1.498 4.657 -6.081
164 2HB MET 23 1HB MET 23 1.327 3.800 -7.611
165 1HG MET 23 2HG MET 23 1.750 2.397 -4.958
166 2HG MET 23 1HG MET 23 0.163 2.696 -5.659
167 1HE MET 23 1HE MET 23 0.554 -0.177 -5.066
168 2HE MET 23 2HE MET 23 2.286 0.125 -4.915
169 3HE MET 23 3HE MET 23 1.708 -1.121 -6.024
170 H GLY 24 H GLY 24 5.222 4.797 -5.695
171 1HA GLY 24 2HA GLY 24 6.446 6.779 -6.114
172 2HA GLY 24 1HA GLY 24 5.606 6.893 -7.663
173 H LYS 25 H LYS 25 3.703 6.436 -4.863
174 HA LYS 25 HA LYS 25 2.892 9.324 -4.858
175 1HB LYS 25 2HB LYS 25 1.171 6.835 -4.581
176 2HB LYS 25 1HB LYS 25 0.587 8.478 -4.364
177 1HG LYS 25 2HG LYS 25 1.937 8.467 -6.855
178 2HG LYS 25 1HG LYS 25 0.960 6.998 -6.822
179 1HD LYS 25 2HD LYS 25 -0.986 8.448 -6.051
180 2HD LYS 25 1HD LYS 25 0.013 9.848 -6.437
181 1HE LYS 25 2HE LYS 25 -1.520 9.183 -8.302
182 2HE LYS 25 1HE LYS 25 0.183 9.148 -8.759
183 1HZ LYS 25 1HZ LYS 25 -1.555 7.109 -9.080
184 2HZ LYS 25 2HZ LYS 25 -0.771 6.678 -7.636
185 3HZ LYS 25 3HZ LYS 25 0.132 6.951 -9.049
186 H GLN 26 H GLN 26 0.997 8.856 -2.777
187 HA GLN 26 HA GLN 26 2.669 8.060 -0.443
188 1HB GLN 26 2HB GLN 26 1.106 10.619 -0.893
189 2HB GLN 26 1HB GLN 26 1.577 10.078 0.711
190 1HG GLN 26 2HG GLN 26 3.803 10.543 0.367
191 2HG GLN 26 1HG GLN 26 3.737 10.082 -1.330
192 1HE2 GLN 26 1HE2 GLN 26 5.092 12.308 -1.112
193 2HE2 GLN 26 2HE2 GLN 26 4.187 13.706 -1.446
194 H TRP 27 H TRP 27 1.349 7.077 1.212
195 HA TRP 27 HA TRP 27 -1.583 6.987 0.663
196 1HB TRP 27 2HB TRP 27 0.159 4.542 1.083
197 2HB TRP 27 1HB TRP 27 -1.581 4.548 0.818
198 HD1 TRP 27 HD TRP 27 1.733 5.212 -0.984
199 HE1 TRP 27 1HE TRP 27 1.307 5.188 -3.532
200 HE3 TRP 27 3HE TRP 27 -3.336 4.834 -1.011
201 HZ2 TRP 27 2HZ TRP 27 -0.910 5.030 -5.335
202 HZ3 TRP 27 3HZ TRP 27 -4.590 4.745 -3.137
203 HH2 TRP 27 HH TRP 27 -3.384 4.845 -5.301
204 H HIS 28 H HIS 28 -2.794 7.000 2.572
205 HA HIS 28 HA HIS 28 -1.548 7.549 5.072
206 1HB HIS 28 2HB HIS 28 -4.260 6.400 4.368
207 2HB HIS 28 1HB HIS 28 -3.755 6.569 6.043
208 HD2 HIS 28 2HD HIS 28 -2.846 9.442 6.535
209 HE1 HIS 28 1HE HIS 28 -5.757 10.860 3.827
210 HE2 HIS 28 2HE HIS 28 -4.165 11.531 5.689
211 H VAL 29 H VAL 29 -0.636 6.140 6.576
212 HA VAL 29 HA VAL 29 0.270 3.605 5.784
213 HB VAL 29 HB VAL 29 -0.135 4.850 8.504
214 1HG1 VAL 29 1HG1 VAL 29 1.401 2.948 9.270
215 2HG1 VAL 29 2HG1 VAL 29 0.960 2.130 7.770
216 3HG1 VAL 29 3HG1 VAL 29 -0.283 2.519 8.961
217 1HG2 VAL 29 1HG2 VAL 29 1.652 5.498 6.640
218 2HG2 VAL 29 2HG2 VAL 29 2.488 4.078 7.274
219 3HG2 VAL 29 3HG2 VAL 29 2.102 5.422 8.342
220 H GLU 30 H GLU 30 -2.822 4.565 7.000
221 HA GLU 30 HA GLU 30 -3.541 1.775 7.647
222 1HB GLU 30 2HB GLU 30 -5.780 2.865 8.266
223 2HB GLU 30 1HB GLU 30 -4.389 3.285 9.263
224 1HG GLU 30 2HG GLU 30 -5.104 4.958 6.864
225 2HG GLU 30 1HG GLU 30 -5.928 5.204 8.402
226 H HIS 31 H HIS 31 -3.886 4.044 5.036
227 HA HIS 31 HA HIS 31 -6.107 2.441 3.863
228 1HB HIS 31 2HB HIS 31 -4.823 5.011 2.881
229 2HB HIS 31 1HB HIS 31 -6.200 4.208 2.139
230 HD2 HIS 31 2HD HIS 31 -7.483 3.557 5.321
231 HE1 HIS 31 1HE HIS 31 -8.087 7.728 5.203
232 HE2 HIS 31 2HE HIS 31 -8.744 5.578 6.376
233 H PHE 32 H PHE 32 -2.724 2.527 3.784
234 HA PHE 32 HA PHE 32 -2.498 1.700 0.985
235 1HB PHE 32 2HB PHE 32 -0.610 2.816 2.344
236 2HB PHE 32 1HB PHE 32 -0.397 1.242 3.114
237 HD1 PHE 32 1HD PHE 32 1.220 -0.143 2.153
238 HD2 PHE 32 2HD PHE 32 -0.969 2.566 -0.364
239 HE1 PHE 32 1HE PHE 32 2.467 -0.957 0.172
240 HE2 PHE 32 2HE PHE 32 0.276 1.747 -2.332
241 HZ PHE 32 HZ PHE 32 2.000 -0.016 -2.068
242 H VAL 33 H VAL 33 -3.523 -0.158 0.546
243 HA VAL 33 HA VAL 33 -2.967 -2.519 2.288
244 HB VAL 33 HB VAL 33 -5.290 -3.216 1.978
245 1HG1 VAL 33 1HG1 VAL 33 -6.194 -0.718 2.891
246 2HG1 VAL 33 2HG1 VAL 33 -4.502 -0.781 3.375
247 3HG1 VAL 33 3HG1 VAL 33 -5.613 -2.053 3.881
248 1HG2 VAL 33 1HG2 VAL 33 -5.733 -2.293 -0.211
249 2HG2 VAL 33 2HG2 VAL 33 -5.464 -0.650 0.374
250 3HG2 VAL 33 3HG2 VAL 33 -6.877 -1.557 0.913
251 H CYS 34 H CYS 34 -3.806 -4.534 1.128
252 HA CYS 34 HA CYS 34 -2.358 -4.913 -1.310
253 1HB CYS 34 2HB CYS 34 -2.741 -6.846 -0.052
254 2HB CYS 34 1HB CYS 34 -4.436 -6.469 0.211
255 H ALA 35 H ALA 35 -3.155 -5.076 -3.459
256 HA ALA 35 HA ALA 35 -5.606 -3.497 -3.945
257 1HB ALA 35 1HB ALA 35 -3.782 -4.674 -6.030
258 2HB ALA 35 2HB ALA 35 -3.339 -3.213 -5.146
259 3HB ALA 35 3HB ALA 35 -4.795 -3.236 -6.147
260 H LYS 36 H LYS 36 -5.798 -6.230 -2.863
261 HA LYS 36 HA LYS 36 -7.539 -7.377 -4.991
262 1HB LYS 36 2HB LYS 36 -5.083 -8.462 -4.515
263 2HB LYS 36 1HB LYS 36 -6.038 -9.352 -3.341
264 1HG LYS 36 2HG LYS 36 -7.638 -9.439 -5.610
265 2HG LYS 36 1HG LYS 36 -6.010 -9.549 -6.272
266 1HD LYS 36 2HD LYS 36 -5.504 -11.457 -4.862
267 2HD LYS 36 1HD LYS 36 -7.046 -11.294 -4.030
268 1HE LYS 36 2HE LYS 36 -6.883 -11.716 -7.014
269 2HE LYS 36 1HE LYS 36 -6.928 -13.066 -5.882
270 1HZ LYS 36 1HZ LYS 36 -9.144 -12.712 -6.383
271 2HZ LYS 36 2HZ LYS 36 -8.987 -11.020 -6.402
272 3HZ LYS 36 3HZ LYS 36 -8.960 -11.862 -4.927
273 H CYS 37 H CYS 37 -6.542 -7.453 -1.594
274 HA CYS 37 HA CYS 37 -9.328 -8.308 -0.863
275 1HB CYS 37 2HB CYS 37 -8.316 -9.331 1.140
276 2HB CYS 37 1HB CYS 37 -7.575 -9.968 -0.327
277 H GLU 38 H GLU 38 -6.868 -5.905 -0.474
278 HA GLU 38 HA GLU 38 -7.003 -3.829 0.553
279 1HB GLU 38 2HB GLU 38 -9.670 -4.543 1.756
280 2HB GLU 38 1HB GLU 38 -9.058 -2.960 1.286
281 1HG GLU 38 2HG GLU 38 -8.973 -4.152 -1.125
282 2HG GLU 38 1HG GLU 38 -10.279 -5.094 -0.406
283 H LYS 39 H LYS 39 -5.563 -5.790 1.756
284 HA LYS 39 HA LYS 39 -6.295 -5.692 4.640
285 1HB LYS 39 2HB LYS 39 -5.505 -7.839 3.287
286 2HB LYS 39 1HB LYS 39 -3.903 -7.185 3.612
287 1HG LYS 39 2HG LYS 39 -5.390 -7.021 6.047
288 2HG LYS 39 1HG LYS 39 -5.642 -8.633 5.394
289 1HD LYS 39 2HD LYS 39 -3.141 -8.814 5.095
290 2HD LYS 39 1HD LYS 39 -2.992 -7.294 5.980
291 1HE LYS 39 2HE LYS 39 -4.354 -9.786 7.046
292 2HE LYS 39 1HE LYS 39 -2.716 -9.279 7.462
293 1HZ LYS 39 1HZ LYS 39 -3.605 -8.027 9.037
294 2HZ LYS 39 2HZ LYS 39 -5.184 -8.369 8.510
295 3HZ LYS 39 3HZ LYS 39 -4.324 -7.067 7.837
296 HA PRO 40 HA PRO 40 -3.367 -2.247 4.424
297 1HB PRO 40 2HB PRO 40 -3.846 -1.576 7.112
298 2HB PRO 40 1HB PRO 40 -4.571 -0.813 5.714
299 1HG PRO 40 2HG PRO 40 -5.788 -2.597 7.644
300 2HG PRO 40 1HG PRO 40 -6.574 -1.704 6.345
301 1HD PRO 40 2HD PRO 40 -6.033 -4.521 6.459
302 2HD PRO 40 1HD PRO 40 -6.746 -3.623 5.110
303 H PHE 41 H PHE 41 -1.277 -2.145 4.925
304 HA PHE 41 HA PHE 41 -0.177 -4.164 6.829
305 1HB PHE 41 2HB PHE 41 1.605 -2.371 5.229
306 2HB PHE 41 1HB PHE 41 1.826 -4.059 5.675
307 HD1 PHE 41 1HD PHE 41 -0.064 -1.776 3.433
308 HD2 PHE 41 2HD PHE 41 1.095 -5.821 4.271
309 HE1 PHE 41 1HE PHE 41 -0.929 -2.483 1.215
310 HE2 PHE 41 2HE PHE 41 0.228 -6.528 2.068
311 HZ PHE 41 HZ PHE 41 -0.780 -4.866 0.534
312 H LEU 42 H LEU 42 -1.396 -2.349 8.316
313 HA LEU 42 HA LEU 42 -0.404 0.130 8.951
314 1HB LEU 42 2HB LEU 42 -1.320 -2.149 10.670
315 2HB LEU 42 1HB LEU 42 -0.620 -0.737 11.457
316 HG LEU 42 HG LEU 42 -2.251 0.718 10.295
317 1HD1 LEU 42 1HD1 LEU 42 -4.132 -0.475 9.085
318 2HD1 LEU 42 2HD1 LEU 42 -3.105 -1.912 9.108
319 3HD1 LEU 42 3HD1 LEU 42 -2.569 -0.456 8.264
320 1HD2 LEU 42 1HD2 LEU 42 -3.059 0.013 12.413
321 2HD2 LEU 42 2HD2 LEU 42 -3.308 -1.642 11.856
322 3HD2 LEU 42 3HD2 LEU 42 -4.381 -0.357 11.305
323 H GLY 43 H GLY 43 0.993 -2.889 10.236
324 1HA GLY 43 2HA GLY 43 3.661 -1.544 10.267
325 2HA GLY 43 1HA GLY 43 3.095 -2.417 11.689
326 H HIS 44 H HIS 44 2.398 -3.484 8.423
327 HA HIS 44 HA HIS 44 4.189 -5.845 8.908
328 1HB HIS 44 2HB HIS 44 1.905 -5.966 6.971
329 2HB HIS 44 1HB HIS 44 2.608 -7.248 7.956
330 HD1 HIS 44 1HD HIS 44 2.457 -5.434 10.641
331 HD2 HIS 44 2HD HIS 44 -0.686 -6.380 8.075
332 HE1 HIS 44 1HE HIS 44 0.331 -5.193 11.997
333 H ARG 45 H ARG 45 4.068 -6.907 6.338
334 HA ARG 45 HA ARG 45 5.592 -4.855 4.773
335 1HB ARG 45 2HB ARG 45 7.051 -6.668 5.293
336 2HB ARG 45 1HB ARG 45 5.808 -7.868 4.950
337 1HG ARG 45 2HG ARG 45 5.918 -7.452 2.596
338 2HG ARG 45 1HG ARG 45 6.888 -5.997 2.831
339 1HD ARG 45 2HD ARG 45 8.675 -7.474 3.851
340 2HD ARG 45 1HD ARG 45 7.729 -8.865 3.318
341 HE ARG 45 HE ARG 45 8.015 -7.346 1.021
342 1HH1 ARG 45 1HH2 ARG 45 10.106 -8.642 3.436
343 2HH1 ARG 45 2HH2 ARG 45 11.443 -8.852 2.355
344 1HH2 ARG 45 1HH1 ARG 45 9.748 -7.612 -0.405
345 2HH2 ARG 45 2HH1 ARG 45 11.240 -8.268 0.181
346 H HIS 46 H HIS 46 5.073 -4.592 2.561
347 HA HIS 46 HA HIS 46 2.585 -6.008 1.669
348 1HB HIS 46 2HB HIS 46 2.172 -4.020 0.224
349 2HB HIS 46 1HB HIS 46 2.121 -3.642 1.939
350 HD1 HIS 46 1HD HIS 46 4.188 -2.331 2.932
351 HD2 HIS 46 2HD HIS 46 4.293 -2.831 -1.213
352 HE1 HIS 46 1HE HIS 46 5.983 -0.769 2.066
353 H TYR 47 H TYR 47 2.407 -6.023 -0.742
354 HA TYR 47 HA TYR 47 5.049 -6.355 -2.082
355 1HB TYR 47 2HB TYR 47 2.734 -8.267 -2.405
356 2HB TYR 47 1HB TYR 47 4.398 -8.497 -2.907
357 HD1 TYR 47 1HD TYR 47 5.876 -9.653 -1.485
358 HD2 TYR 47 2HD TYR 47 2.360 -7.825 0.174
359 HE1 TYR 47 1HE TYR 47 6.420 -10.584 0.750
360 HE2 TYR 47 2HE TYR 47 2.921 -8.751 2.394
361 HH TYR 47 HH TYR 47 5.958 -10.488 2.940
362 H GLU 48 H GLU 48 5.032 -5.462 -4.149
363 HA GLU 48 HA GLU 48 2.396 -4.392 -5.076
364 1HB GLU 48 2HB GLU 48 3.999 -2.809 -6.402
365 2HB GLU 48 1HB GLU 48 3.723 -2.523 -4.687
366 1HG GLU 48 2HG GLU 48 5.764 -3.693 -4.108
367 2HG GLU 48 1HG GLU 48 6.021 -4.149 -5.794
368 H ARG 49 H ARG 49 1.854 -4.458 -7.257
369 HA ARG 49 HA ARG 49 3.577 -6.053 -9.074
370 1HB ARG 49 2HB ARG 49 2.083 -7.652 -7.895
371 2HB ARG 49 1HB ARG 49 0.691 -6.764 -8.499
372 1HG ARG 49 2HG ARG 49 2.363 -7.278 -10.746
373 2HG ARG 49 1HG ARG 49 2.241 -8.787 -9.847
374 1HD ARG 49 2HD ARG 49 0.420 -8.510 -11.535
375 2HD ARG 49 1HD ARG 49 -0.179 -8.684 -9.889
376 HE ARG 49 HE ARG 49 0.030 -5.941 -10.233
377 1HH1 ARG 49 1HH2 ARG 49 -1.443 -8.575 -11.900
378 2HH1 ARG 49 2HH2 ARG 49 -2.759 -7.628 -12.510
379 1HH2 ARG 49 1HH1 ARG 49 -1.683 -4.690 -11.019
380 2HH2 ARG 49 2HH1 ARG 49 -2.894 -5.429 -12.012
381 H LYS 50 H LYS 50 3.473 -5.272 -11.108
382 HA LYS 50 HA LYS 50 2.920 -3.841 -12.862
383 1HB LYS 50 2HB LYS 50 0.159 -4.708 -11.966
384 2HB LYS 50 1HB LYS 50 0.495 -3.873 -13.480
385 1HG LYS 50 2HG LYS 50 2.218 -5.812 -13.866
386 2HG LYS 50 1HG LYS 50 1.263 -6.660 -12.652
387 1HD LYS 50 2HD LYS 50 -0.789 -6.178 -14.016
388 2HD LYS 50 1HD LYS 50 0.259 -5.516 -15.270
389 1HE LYS 50 2HE LYS 50 0.507 -8.329 -14.170
390 2HE LYS 50 1HE LYS 50 -0.360 -7.921 -15.650
391 1HZ LYS 50 1HZ LYS 50 2.372 -6.930 -15.370
392 2HZ LYS 50 2HZ LYS 50 1.544 -7.458 -16.756
393 3HZ LYS 50 3HZ LYS 50 2.175 -8.590 -15.659
394 H GLY 51 H GLY 51 2.973 -2.815 -9.999
395 1HA GLY 51 2HA GLY 51 2.941 -0.518 -9.331
396 2HA GLY 51 1HA GLY 51 1.911 -0.165 -10.713
397 H LEU 52 H LEU 52 1.272 -2.779 -8.509
398 HA LEU 52 HA LEU 52 -0.826 -1.204 -7.133
399 1HB LEU 52 2HB LEU 52 -1.278 -3.637 -8.842
400 2HB LEU 52 1HB LEU 52 -2.328 -3.329 -7.464
401 HG LEU 52 HG LEU 52 -1.807 -1.409 -9.751
402 1HD1 LEU 52 1HD1 LEU 52 -3.966 -1.983 -10.550
403 2HD1 LEU 52 2HD1 LEU 52 -4.395 -2.797 -9.045
404 3HD1 LEU 52 3HD1 LEU 52 -3.223 -3.531 -10.141
405 1HD2 LEU 52 1HD2 LEU 52 -2.401 0.089 -8.120
406 2HD2 LEU 52 2HD2 LEU 52 -3.107 -1.156 -7.087
407 3HD2 LEU 52 3HD2 LEU 52 -4.031 -0.503 -8.441
408 H ALA 53 H ALA 53 -1.061 -1.816 -5.022
409 HA ALA 53 HA ALA 53 0.978 -3.536 -3.933
410 1HB ALA 53 1HB ALA 53 -0.334 -3.196 -1.769
411 2HB ALA 53 2HB ALA 53 -1.431 -2.187 -2.721
412 3HB ALA 53 3HB ALA 53 0.267 -1.729 -2.551
413 H TYR 54 H TYR 54 0.723 -5.494 -2.805
414 HA TYR 54 HA TYR 54 -1.857 -6.882 -2.928
415 1HB TYR 54 2HB TYR 54 0.555 -7.711 -4.537
416 2HB TYR 54 1HB TYR 54 -0.649 -8.880 -4.014
417 HD1 TYR 54 1HD TYR 54 0.156 -6.310 -6.378
418 HD2 TYR 54 2HD TYR 54 -3.076 -8.471 -4.587
419 HE1 TYR 54 1HE TYR 54 -1.312 -5.618 -8.213
420 HE2 TYR 54 2HE TYR 54 -4.577 -7.751 -6.446
421 HH TYR 54 HH TYR 54 -4.417 -6.983 -8.735
422 H CYS 55 H CYS 55 -1.988 -8.388 -1.248
423 HA CYS 55 HA CYS 55 -0.104 -8.225 0.852
424 1HB CYS 55 2HB CYS 55 -2.044 -10.458 0.152
425 2HB CYS 55 1HB CYS 55 -1.130 -10.398 1.656
426 H GLU 56 H GLU 56 0.970 -10.499 1.614
427 HA GLU 56 HA GLU 56 3.092 -11.074 -0.239
428 1HB GLU 56 2HB GLU 56 3.181 -11.374 2.284
429 2HB GLU 56 1HB GLU 56 2.198 -12.815 2.073
430 1HG GLU 56 2HG GLU 56 3.881 -13.919 0.818
431 2HG GLU 56 1HG GLU 56 4.784 -12.426 0.565
432 H THR 57 H THR 57 0.069 -12.705 0.569
433 HA THR 57 HA THR 57 0.659 -14.970 -1.196
434 HB THR 57 HB THR 57 -1.787 -14.261 0.434
435 HG1 THR 57 1HG THR 57 -1.000 -15.941 1.734
436 1HG2 THR 57 1HG2 THR 57 -2.566 -15.605 -1.371
437 2HG2 THR 57 2HG2 THR 57 -2.339 -16.716 -0.021
438 3HG2 THR 57 3HG2 THR 57 -1.139 -16.640 -1.312
439 H HIS 58 H HIS 58 -1.616 -12.216 -1.224
440 HA HIS 58 HA HIS 58 -2.893 -13.068 -3.635
441 1HB HIS 58 2HB HIS 58 -2.630 -10.313 -2.413
442 2HB HIS 58 1HB HIS 58 -3.694 -10.712 -3.755
443 HD2 HIS 58 2HD HIS 58 -4.849 -13.591 -2.562
444 HE1 HIS 58 1HE HIS 58 -6.147 -11.292 0.730
445 HE2 HIS 58 2HE HIS 58 -6.414 -13.506 -0.480
446 H TYR 59 H TYR 59 -0.177 -10.882 -2.975
447 HA TYR 59 HA TYR 59 0.337 -10.034 -5.592
448 1HB TYR 59 2HB TYR 59 1.653 -9.206 -3.732
449 2HB TYR 59 1HB TYR 59 2.201 -10.820 -3.329
450 HD1 TYR 59 1HD TYR 59 1.887 -9.421 -6.753
451 HD2 TYR 59 2HD TYR 59 4.560 -10.561 -3.592
452 HE1 TYR 59 1HE TYR 59 3.793 -9.171 -8.269
453 HE2 TYR 59 2HE TYR 59 6.484 -10.288 -5.127
454 HH TYR 59 HH TYR 59 6.802 -10.405 -7.704
455 H ASN 60 H ASN 60 1.676 -12.773 -3.832
456 HA ASN 60 HA ASN 60 2.877 -13.978 -6.095
457 1HB ASN 60 2HB ASN 60 2.065 -15.034 -3.393
458 2HB ASN 60 1HB ASN 60 2.770 -16.093 -4.613
459 1HD2 ASN 60 1HD2 ASN 60 3.466 -13.512 -2.340
460 2HD2 ASN 60 2HD2 ASN 60 5.141 -13.460 -2.617
461 H GLN 61 H GLN 61 -0.275 -14.531 -4.521
462 HA GLN 61 HA GLN 61 -1.116 -16.673 -6.201
463 1HB GLN 61 2HB GLN 61 -2.378 -15.622 -4.184
464 2HB GLN 61 1HB GLN 61 -2.997 -14.463 -5.361
465 1HG GLN 61 2HG GLN 61 -3.919 -16.283 -6.712
466 2HG GLN 61 1HG GLN 61 -3.250 -17.474 -5.596
467 1HE2 GLN 61 1HE2 GLN 61 -3.874 -16.339 -3.105
468 2HE2 GLN 61 2HE2 GLN 61 -5.559 -16.226 -2.936
469 H LEU 62 H LEU 62 -0.950 -13.230 -6.647
470 HA LEU 62 HA LEU 62 -2.248 -13.247 -9.262
471 1HB LEU 62 2HB LEU 62 -0.926 -11.231 -7.501
472 2HB LEU 62 1HB LEU 62 -0.966 -10.877 -9.223
473 HG LEU 62 HG LEU 62 -3.490 -11.474 -9.059
474 1HD1 LEU 62 1HD1 LEU 62 -3.225 -12.386 -6.711
475 2HD1 LEU 62 2HD1 LEU 62 -4.514 -11.201 -6.915
476 3HD1 LEU 62 3HD1 LEU 62 -2.985 -10.718 -6.181
477 1HD2 LEU 62 1HD2 LEU 62 -2.226 -9.000 -7.894
478 2HD2 LEU 62 2HD2 LEU 62 -3.967 -9.138 -8.164
479 3HD2 LEU 62 3HD2 LEU 62 -2.850 -9.230 -9.528
480 H PHE 63 H PHE 63 1.047 -13.319 -8.022
481 HA PHE 63 HA PHE 63 2.011 -14.272 -10.623
482 1HB PHE 63 2HB PHE 63 2.582 -11.518 -9.587
483 2HB PHE 63 1HB PHE 63 3.853 -12.369 -10.462
484 HD1 PHE 63 1HD PHE 63 0.628 -10.704 -10.693
485 HD2 PHE 63 2HD PHE 63 3.470 -13.122 -12.814
486 HE1 PHE 63 1HE PHE 63 -0.492 -10.139 -12.839
487 HE2 PHE 63 2HE PHE 63 2.358 -12.555 -14.957
488 HZ PHE 63 HZ PHE 63 0.377 -11.063 -14.969
489 H GLY 64 H GLY 64 3.823 -12.559 -8.139
490 1HA GLY 64 2HA GLY 64 5.175 -13.466 -6.388
491 2HA GLY 64 1HA GLY 64 4.776 -15.089 -6.950
492 H ASP 65 H ASP 65 5.918 -12.545 -9.083
493 HA ASP 65 HA ASP 65 7.789 -12.520 -10.508
494 1HB ASP 65 2HB ASP 65 9.212 -13.680 -8.097
495 2HB ASP 65 1HB ASP 65 9.910 -12.692 -9.382
496 H VAL 66 H VAL 66 6.193 -14.808 -10.838
497 HA VAL 66 HA VAL 66 8.067 -16.600 -12.101
498 HB VAL 66 HB VAL 66 8.372 -17.299 -9.727
499 1HG1 VAL 66 1HG1 VAL 66 5.978 -16.688 -9.104
500 2HG1 VAL 66 2HG1 VAL 66 6.558 -18.228 -8.470
501 3HG1 VAL 66 3HG1 VAL 66 5.486 -18.200 -9.870
502 1HG2 VAL 66 1HG2 VAL 66 8.496 -18.906 -11.694
503 2HG2 VAL 66 2HG2 VAL 66 6.846 -19.389 -11.305
504 3HG2 VAL 66 3HG2 VAL 66 8.143 -19.659 -10.140
Start of MODEL 15
1 1H GLY 1 1HT GLY 1 8.206 29.730 1.923
2 2H GLY 1 2HT GLY 1 8.378 30.256 0.316
3 3H GLY 1 3HT GLY 1 9.095 28.799 0.818
4 1HA GLY 1 2HA GLY 1 6.364 28.649 1.405
5 2HA GLY 1 1HA GLY 1 6.545 29.192 -0.265
6 H SER 2 H SER 2 5.682 26.536 0.824
7 HA SER 2 HA SER 2 7.131 24.885 -1.051
8 1HB SER 2 2HB SER 2 7.746 24.602 1.897
9 2HB SER 2 1HB SER 2 7.995 23.286 0.751
10 HG SER 2 HG SER 2 9.803 24.832 1.196
11 H MET 3 H MET 3 5.079 24.233 -1.753
12 HA MET 3 HA MET 3 2.943 23.442 -0.017
13 1HB MET 3 2HB MET 3 3.390 22.385 -2.817
14 2HB MET 3 1HB MET 3 1.855 22.635 -1.983
15 1HG MET 3 2HG MET 3 3.783 24.795 -2.885
16 2HG MET 3 1HG MET 3 2.200 24.447 -3.580
17 1HE MET 3 1HE MET 3 1.314 26.657 -3.442
18 2HE MET 3 2HE MET 3 2.757 27.394 -2.749
19 3HE MET 3 3HE MET 3 1.182 27.699 -2.020
20 H GLY 4 H GLY 4 4.323 22.109 1.490
21 1HA GLY 4 2HA GLY 4 5.228 19.501 0.485
22 2HA GLY 4 1HA GLY 4 5.317 20.056 2.157
23 H VAL 5 H VAL 5 4.212 18.543 3.319
24 HA VAL 5 HA VAL 5 2.449 17.200 4.045
25 HB VAL 5 HB VAL 5 1.147 19.551 2.764
26 1HG1 VAL 5 1HG1 VAL 5 -0.251 16.939 3.358
27 2HG1 VAL 5 2HG1 VAL 5 -0.351 17.920 1.890
28 3HG1 VAL 5 3HG1 VAL 5 -1.096 18.488 3.382
29 1HG2 VAL 5 1HG2 VAL 5 0.988 18.129 5.438
30 2HG2 VAL 5 2HG2 VAL 5 -0.010 19.523 5.021
31 3HG2 VAL 5 3HG2 VAL 5 1.748 19.687 5.100
32 HA PRO 6 HA PRO 6 2.104 14.534 0.464
33 1HB PRO 6 2HB PRO 6 1.695 12.288 2.132
34 2HB PRO 6 1HB PRO 6 3.245 12.828 1.486
35 1HG PRO 6 2HG PRO 6 2.389 12.903 4.231
36 2HG PRO 6 1HG PRO 6 3.925 13.453 3.556
37 1HD PRO 6 2HD PRO 6 1.612 15.045 4.404
38 2HD PRO 6 1HD PRO 6 3.259 15.569 4.039
39 H ILE 7 H ILE 7 0.397 13.038 -0.266
40 HA ILE 7 HA ILE 7 -2.169 13.398 1.193
41 HB ILE 7 HB ILE 7 -1.560 14.125 -1.667
42 1HG1 ILE 7 2HG1 ILE 7 -3.139 15.449 0.543
43 2HG1 ILE 7 1HG1 ILE 7 -1.448 15.783 0.222
44 1HG2 ILE 7 1HG2 ILE 7 -4.175 13.282 -0.415
45 2HG2 ILE 7 2HG2 ILE 7 -3.457 12.719 -1.924
46 3HG2 ILE 7 3HG2 ILE 7 -4.121 14.350 -1.817
47 1HD1 ILE 7 1HD1 ILE 7 -3.277 17.344 -0.796
48 2HD1 ILE 7 2HD1 ILE 7 -3.489 16.046 -1.974
49 3HD1 ILE 7 3HD1 ILE 7 -1.924 16.844 -1.813
50 H CYS 8 H CYS 8 -3.085 11.510 1.509
51 HA CYS 8 HA CYS 8 -2.042 9.088 0.471
52 1HB CYS 8 2HB CYS 8 -3.210 9.035 2.557
53 2HB CYS 8 1HB CYS 8 -4.653 9.733 1.834
54 H GLY 9 H GLY 9 -2.222 8.344 -1.522
55 1HA GLY 9 2HA GLY 9 -4.012 9.432 -3.471
56 2HA GLY 9 1HA GLY 9 -3.052 7.972 -3.685
57 H ALA 10 H ALA 10 -4.720 7.539 -0.885
58 HA ALA 10 HA ALA 10 -6.651 5.762 -2.219
59 1HB ALA 10 1HB ALA 10 -5.224 5.380 0.000
60 2HB ALA 10 2HB ALA 10 -6.822 4.664 -0.191
61 3HB ALA 10 3HB ALA 10 -6.625 6.146 0.746
62 H CYS 11 H CYS 11 -6.644 8.703 -0.278
63 HA CYS 11 HA CYS 11 -9.535 9.056 -0.957
64 1HB CYS 11 2HB CYS 11 -9.553 10.351 1.327
65 2HB CYS 11 1HB CYS 11 -9.680 8.592 1.340
66 H ARG 12 H ARG 12 -6.512 10.117 -1.510
67 HA ARG 12 HA ARG 12 -5.593 12.151 -2.190
68 1HB ARG 12 2HB ARG 12 -8.520 12.425 -2.872
69 2HB ARG 12 1HB ARG 12 -7.418 13.774 -3.141
70 1HG ARG 12 2HG ARG 12 -7.357 12.640 -5.194
71 2HG ARG 12 1HG ARG 12 -5.930 12.020 -4.368
72 1HD ARG 12 2HD ARG 12 -7.886 10.278 -3.507
73 2HD ARG 12 1HD ARG 12 -8.405 10.616 -5.155
74 HE ARG 12 HE ARG 12 -6.356 8.837 -4.522
75 1HH1 ARG 12 1HH2 ARG 12 -6.657 11.762 -6.337
76 2HH1 ARG 12 2HH2 ARG 12 -5.303 11.415 -7.356
77 1HH2 ARG 12 1HH1 ARG 12 -4.602 8.376 -5.851
78 2HH2 ARG 12 2HH1 ARG 12 -4.144 9.502 -7.086
79 H ARG 13 H ARG 13 -6.037 11.857 0.559
80 HA ARG 13 HA ARG 13 -6.879 14.607 1.376
81 1HB ARG 13 2HB ARG 13 -7.117 11.927 2.701
82 2HB ARG 13 1HB ARG 13 -6.944 13.357 3.718
83 1HG ARG 13 2HG ARG 13 -8.864 14.388 2.452
84 2HG ARG 13 1HG ARG 13 -9.099 12.833 1.655
85 1HD ARG 13 2HD ARG 13 -8.973 12.092 4.299
86 2HD ARG 13 1HD ARG 13 -9.771 13.657 4.410
87 HE ARG 13 HE ARG 13 -11.087 11.313 3.677
88 1HH1 ARG 13 1HH2 ARG 13 -10.440 14.379 2.215
89 2HH1 ARG 13 2HH2 ARG 13 -11.808 14.304 1.161
90 1HH2 ARG 13 1HH1 ARG 13 -12.872 11.218 2.314
91 2HH2 ARG 13 2HH1 ARG 13 -13.185 12.521 1.218
92 HA PRO 14 HA PRO 14 -2.643 15.368 2.281
93 1HB PRO 14 2HB PRO 14 -3.316 16.924 4.636
94 2HB PRO 14 1HB PRO 14 -2.713 17.479 3.075
95 1HG PRO 14 2HG PRO 14 -5.352 17.797 4.071
96 2HG PRO 14 1HG PRO 14 -4.768 18.186 2.445
97 1HD PRO 14 2HD PRO 14 -6.505 15.993 3.240
98 2HD PRO 14 1HD PRO 14 -5.988 16.459 1.606
99 H ILE 15 H ILE 15 -1.498 13.699 3.097
100 HA ILE 15 HA ILE 15 -2.348 12.245 5.470
101 HB ILE 15 HB ILE 15 0.290 12.193 3.962
102 1HG1 ILE 15 2HG1 ILE 15 -1.757 10.016 3.885
103 2HG1 ILE 15 1HG1 ILE 15 -2.061 11.471 2.938
104 1HG2 ILE 15 1HG2 ILE 15 0.301 9.837 5.103
105 2HG2 ILE 15 2HG2 ILE 15 -0.815 10.578 6.249
106 3HG2 ILE 15 3HG2 ILE 15 0.806 11.240 6.048
107 1HD1 ILE 15 1HD1 ILE 15 -0.206 11.137 1.573
108 2HD1 ILE 15 2HD1 ILE 15 -0.705 9.473 1.875
109 3HD1 ILE 15 3HD1 ILE 15 0.638 10.173 2.780
110 H GLU 16 H GLU 16 -1.045 12.151 7.512
111 HA GLU 16 HA GLU 16 0.837 14.360 7.973
112 1HB GLU 16 2HB GLU 16 -0.695 15.192 9.927
113 2HB GLU 16 1HB GLU 16 -1.018 15.742 8.283
114 1HG GLU 16 2HG GLU 16 -3.080 14.982 9.470
115 2HG GLU 16 1HG GLU 16 -2.750 14.057 8.006
116 H GLY 17 H GLY 17 1.626 11.919 8.302
117 1HA GLY 17 2HA GLY 17 2.291 11.670 11.077
118 2HA GLY 17 1HA GLY 17 1.067 10.469 10.652
119 H ARG 18 H ARG 18 1.678 8.706 9.512
120 HA ARG 18 HA ARG 18 4.524 8.583 8.592
121 1HB ARG 18 2HB ARG 18 2.655 6.485 9.694
122 2HB ARG 18 1HB ARG 18 4.047 6.038 8.705
123 1HG ARG 18 2HG ARG 18 5.478 7.412 10.289
124 2HG ARG 18 1HG ARG 18 4.063 7.528 11.337
125 1HD ARG 18 2HD ARG 18 5.144 4.881 10.357
126 2HD ARG 18 1HD ARG 18 5.686 5.626 11.860
127 HE ARG 18 HE ARG 18 2.926 5.617 12.088
128 1HH1 ARG 18 1HH2 ARG 18 5.385 3.305 11.386
129 2HH1 ARG 18 2HH2 ARG 18 4.522 1.978 12.088
130 1HH2 ARG 18 1HH1 ARG 18 1.785 3.897 13.009
131 2HH2 ARG 18 2HH1 ARG 18 2.484 2.312 13.007
132 H VAL 19 H VAL 19 4.706 8.597 6.428
133 HA VAL 19 HA VAL 19 2.267 8.126 4.803
134 HB VAL 19 HB VAL 19 4.962 9.212 3.952
135 1HG1 VAL 19 1HG1 VAL 19 3.055 10.274 2.297
136 2HG1 VAL 19 2HG1 VAL 19 2.391 8.667 2.588
137 3HG1 VAL 19 3HG1 VAL 19 4.010 8.841 1.910
138 1HG2 VAL 19 1HG2 VAL 19 4.096 11.400 4.274
139 2HG2 VAL 19 2HG2 VAL 19 3.696 10.530 5.754
140 3HG2 VAL 19 3HG2 VAL 19 2.459 10.798 4.525
141 H VAL 20 H VAL 20 2.353 6.826 2.882
142 HA VAL 20 HA VAL 20 4.511 4.749 2.916
143 HB VAL 20 HB VAL 20 1.546 4.493 2.415
144 1HG1 VAL 20 1HG1 VAL 20 2.375 2.045 1.748
145 2HG1 VAL 20 2HG1 VAL 20 3.819 2.928 1.245
146 3HG1 VAL 20 3HG1 VAL 20 2.252 3.322 0.537
147 1HG2 VAL 20 1HG2 VAL 20 3.564 2.947 4.069
148 2HG2 VAL 20 2HG2 VAL 20 1.852 2.544 3.937
149 3HG2 VAL 20 3HG2 VAL 20 2.345 4.062 4.683
150 H ASN 21 H ASN 21 5.789 5.240 1.195
151 HA ASN 21 HA ASN 21 4.645 6.670 -1.100
152 1HB ASN 21 2HB ASN 21 7.425 5.817 -0.340
153 2HB ASN 21 1HB ASN 21 7.070 6.503 -1.922
154 1HD2 ASN 21 1HD2 ASN 21 5.573 7.420 1.203
155 2HD2 ASN 21 2HD2 ASN 21 6.130 9.022 1.179
156 H ALA 22 H ALA 22 3.491 5.392 -2.450
157 HA ALA 22 HA ALA 22 4.884 3.074 -3.670
158 1HB ALA 22 1HB ALA 22 3.402 2.298 -1.729
159 2HB ALA 22 2HB ALA 22 3.075 1.556 -3.296
160 3HB ALA 22 3HB ALA 22 2.029 2.844 -2.693
161 H MET 23 H MET 23 3.833 2.457 -5.738
162 HA MET 23 HA MET 23 2.890 3.060 -7.799
163 1HB MET 23 2HB MET 23 0.976 4.790 -6.231
164 2HB MET 23 1HB MET 23 0.684 3.950 -7.752
165 1HG MET 23 2HG MET 23 1.288 2.457 -5.191
166 2HG MET 23 1HG MET 23 -0.350 2.902 -5.653
167 1HE MET 23 1HE MET 23 1.236 -0.946 -6.448
168 2HE MET 23 2HE MET 23 0.229 -0.168 -5.227
169 3HE MET 23 3HE MET 23 1.918 0.304 -5.396
170 H GLY 24 H GLY 24 4.760 4.823 -6.134
171 1HA GLY 24 2HA GLY 24 5.979 6.790 -6.606
172 2HA GLY 24 1HA GLY 24 5.035 6.935 -8.090
173 H LYS 25 H LYS 25 3.508 6.553 -5.010
174 HA LYS 25 HA LYS 25 2.746 9.445 -4.946
175 1HB LYS 25 2HB LYS 25 0.898 7.046 -4.709
176 2HB LYS 25 1HB LYS 25 0.416 8.709 -4.411
177 1HG LYS 25 2HG LYS 25 1.674 8.743 -6.940
178 2HG LYS 25 1HG LYS 25 0.647 7.308 -6.939
179 1HD LYS 25 2HD LYS 25 -1.229 8.771 -6.062
180 2HD LYS 25 1HD LYS 25 -0.193 10.163 -6.379
181 1HE LYS 25 2HE LYS 25 -1.785 9.652 -8.252
182 2HE LYS 25 1HE LYS 25 -0.090 9.622 -8.741
183 1HZ LYS 25 1HZ LYS 25 -0.125 7.403 -9.054
184 2HZ LYS 25 2HZ LYS 25 -1.789 7.665 -9.281
185 3HZ LYS 25 3HZ LYS 25 -1.208 7.113 -7.782
186 H GLN 26 H GLN 26 0.900 8.987 -2.819
187 HA GLN 26 HA GLN 26 2.618 8.018 -0.581
188 1HB GLN 26 2HB GLN 26 1.108 10.637 -0.853
189 2HB GLN 26 1HB GLN 26 1.659 10.019 0.698
190 1HG GLN 26 2HG GLN 26 3.878 10.428 0.231
191 2HG GLN 26 1HG GLN 26 3.685 10.075 -1.483
192 1HE2 GLN 26 1HE2 GLN 26 5.119 12.262 -1.179
193 2HE2 GLN 26 2HE2 GLN 26 4.230 13.693 -1.386
194 H TRP 27 H TRP 27 1.316 7.012 1.089
195 HA TRP 27 HA TRP 27 -1.633 7.054 0.639
196 1HB TRP 27 2HB TRP 27 0.016 4.525 0.885
197 2HB TRP 27 1HB TRP 27 -1.730 4.614 0.682
198 HD1 TRP 27 HD TRP 27 1.549 5.264 -1.196
199 HE1 TRP 27 1HE TRP 27 1.048 5.358 -3.723
200 HE3 TRP 27 3HE TRP 27 -3.525 4.999 -1.081
201 HZ2 TRP 27 2HZ TRP 27 -1.226 5.327 -5.465
202 HZ3 TRP 27 3HZ TRP 27 -4.844 5.030 -3.168
203 HH2 TRP 27 HH TRP 27 -3.703 5.197 -5.363
204 H HIS 28 H HIS 28 -2.779 7.014 2.585
205 HA HIS 28 HA HIS 28 -1.432 7.419 5.061
206 1HB HIS 28 2HB HIS 28 -4.202 6.382 4.409
207 2HB HIS 28 1HB HIS 28 -3.636 6.471 6.071
208 HD2 HIS 28 2HD HIS 28 -2.622 9.293 6.642
209 HE1 HIS 28 1HE HIS 28 -5.563 10.909 4.078
210 HE2 HIS 28 2HE HIS 28 -3.897 11.455 5.917
211 H VAL 29 H VAL 29 -0.520 5.922 6.481
212 HA VAL 29 HA VAL 29 0.269 3.382 5.574
213 HB VAL 29 HB VAL 29 0.000 4.581 8.329
214 1HG1 VAL 29 1HG1 VAL 29 0.824 1.780 7.556
215 2HG1 VAL 29 2HG1 VAL 29 -0.327 2.278 8.796
216 3HG1 VAL 29 3HG1 VAL 29 1.400 2.542 9.038
217 1HG2 VAL 29 1HG2 VAL 29 2.471 3.624 6.886
218 2HG2 VAL 29 2HG2 VAL 29 2.344 4.809 8.181
219 3HG2 VAL 29 3HG2 VAL 29 1.783 5.217 6.559
220 H GLU 30 H GLU 30 -2.749 4.430 6.890
221 HA GLU 30 HA GLU 30 -3.586 1.665 7.491
222 1HB GLU 30 2HB GLU 30 -5.742 2.810 8.194
223 2HB GLU 30 1HB GLU 30 -4.309 3.257 9.121
224 1HG GLU 30 2HG GLU 30 -4.103 5.340 8.022
225 2HG GLU 30 1HG GLU 30 -5.174 4.849 6.708
226 H HIS 31 H HIS 31 -3.933 4.040 4.952
227 HA HIS 31 HA HIS 31 -6.195 2.507 3.769
228 1HB HIS 31 2HB HIS 31 -4.884 5.084 2.839
229 2HB HIS 31 1HB HIS 31 -6.303 4.334 2.116
230 HD2 HIS 31 2HD HIS 31 -7.546 3.602 5.275
231 HE1 HIS 31 1HE HIS 31 -7.974 7.797 5.383
232 HE2 HIS 31 2HE HIS 31 -8.700 5.618 6.458
233 H PHE 32 H PHE 32 -2.828 2.459 3.649
234 HA PHE 32 HA PHE 32 -2.710 1.725 0.804
235 1HB PHE 32 2HB PHE 32 -0.753 2.811 2.083
236 2HB PHE 32 1HB PHE 32 -0.513 1.227 2.824
237 HD1 PHE 32 1HD PHE 32 1.017 -0.183 1.757
238 HD2 PHE 32 2HD PHE 32 -1.232 2.618 -0.599
239 HE1 PHE 32 1HE PHE 32 2.134 -1.003 -0.296
240 HE2 PHE 32 2HE PHE 32 -0.112 1.799 -2.641
241 HZ PHE 32 HZ PHE 32 1.575 -0.012 -2.495
242 H VAL 33 H VAL 33 -3.804 -0.095 0.421
243 HA VAL 33 HA VAL 33 -3.232 -2.473 2.135
244 HB VAL 33 HB VAL 33 -5.548 -3.169 1.743
245 1HG1 VAL 33 1HG1 VAL 33 -5.942 -2.003 3.633
246 2HG1 VAL 33 2HG1 VAL 33 -6.456 -0.654 2.623
247 3HG1 VAL 33 3HG1 VAL 33 -4.785 -0.749 3.177
248 1HG2 VAL 33 1HG2 VAL 33 -5.665 -0.596 0.144
249 2HG2 VAL 33 2HG2 VAL 33 -7.092 -1.514 0.622
250 3HG2 VAL 33 3HG2 VAL 33 -5.903 -2.236 -0.463
251 H CYS 34 H CYS 34 -4.096 -4.469 0.936
252 HA CYS 34 HA CYS 34 -2.538 -4.841 -1.459
253 1HB CYS 34 2HB CYS 34 -2.811 -6.734 -0.127
254 2HB CYS 34 1HB CYS 34 -4.526 -6.452 0.112
255 H ALA 35 H ALA 35 -3.285 -5.155 -3.587
256 HA ALA 35 HA ALA 35 -5.800 -3.744 -4.216
257 1HB ALA 35 1HB ALA 35 -3.865 -4.966 -6.183
258 2HB ALA 35 2HB ALA 35 -3.534 -3.418 -5.407
259 3HB ALA 35 3HB ALA 35 -4.960 -3.608 -6.433
260 H LYS 36 H LYS 36 -5.700 -6.514 -3.000
261 HA LYS 36 HA LYS 36 -7.444 -7.841 -5.032
262 1HB LYS 36 2HB LYS 36 -5.192 -8.923 -5.035
263 2HB LYS 36 1HB LYS 36 -5.381 -9.273 -3.325
264 1HG LYS 36 2HG LYS 36 -5.981 -11.226 -4.690
265 2HG LYS 36 1HG LYS 36 -7.382 -10.617 -3.814
266 1HD LYS 36 2HD LYS 36 -8.417 -9.833 -5.732
267 2HD LYS 36 1HD LYS 36 -6.889 -9.529 -6.558
268 1HE LYS 36 2HE LYS 36 -6.629 -11.771 -7.184
269 2HE LYS 36 1HE LYS 36 -7.717 -12.352 -5.923
270 1HZ LYS 36 1HZ LYS 36 -9.206 -12.420 -7.571
271 2HZ LYS 36 2HZ LYS 36 -8.318 -11.372 -8.571
272 3HZ LYS 36 3HZ LYS 36 -9.321 -10.742 -7.352
273 H CYS 37 H CYS 37 -6.557 -7.394 -1.648
274 HA CYS 37 HA CYS 37 -9.254 -8.466 -0.886
275 1HB CYS 37 2HB CYS 37 -8.236 -9.394 1.149
276 2HB CYS 37 1HB CYS 37 -7.421 -10.032 -0.278
277 H GLU 38 H GLU 38 -7.147 -5.820 -0.855
278 HA GLU 38 HA GLU 38 -7.219 -3.783 0.239
279 1HB GLU 38 2HB GLU 38 -10.015 -4.655 1.026
280 2HB GLU 38 1HB GLU 38 -9.395 -3.005 1.028
281 1HG GLU 38 2HG GLU 38 -10.581 -3.173 -1.013
282 2HG GLU 38 1HG GLU 38 -8.893 -3.383 -1.475
283 H LYS 39 H LYS 39 -5.990 -5.863 1.600
284 HA LYS 39 HA LYS 39 -6.879 -5.579 4.422
285 1HB LYS 39 2HB LYS 39 -6.338 -7.851 3.465
286 2HB LYS 39 1HB LYS 39 -4.665 -7.317 3.305
287 1HG LYS 39 2HG LYS 39 -4.264 -7.606 5.512
288 2HG LYS 39 1HG LYS 39 -5.739 -6.767 5.975
289 1HD LYS 39 2HD LYS 39 -7.052 -8.741 5.760
290 2HD LYS 39 1HD LYS 39 -5.764 -9.595 4.908
291 1HE LYS 39 2HE LYS 39 -5.660 -8.677 7.797
292 2HE LYS 39 1HE LYS 39 -5.893 -10.338 7.255
293 1HZ LYS 39 1HZ LYS 39 -3.715 -10.561 7.062
294 2HZ LYS 39 2HZ LYS 39 -3.491 -8.981 7.641
295 3HZ LYS 39 3HZ LYS 39 -3.639 -9.264 5.972
296 HA PRO 40 HA PRO 40 -3.781 -2.293 4.294
297 1HB PRO 40 2HB PRO 40 -4.287 -1.647 6.994
298 2HB PRO 40 1HB PRO 40 -4.904 -0.803 5.594
299 1HG PRO 40 2HG PRO 40 -6.320 -2.523 7.432
300 2HG PRO 40 1HG PRO 40 -6.986 -1.577 6.108
301 1HD PRO 40 2HD PRO 40 -6.638 -4.421 6.223
302 2HD PRO 40 1HD PRO 40 -7.222 -3.472 4.848
303 H PHE 41 H PHE 41 -1.718 -2.219 4.876
304 HA PHE 41 HA PHE 41 -0.696 -4.346 6.700
305 1HB PHE 41 2HB PHE 41 1.136 -2.513 5.208
306 2HB PHE 41 1HB PHE 41 1.314 -4.230 5.566
307 HD1 PHE 41 1HD PHE 41 -0.317 -5.853 4.427
308 HD2 PHE 41 2HD PHE 41 0.330 -1.827 3.109
309 HE1 PHE 41 1HE PHE 41 -1.208 -6.443 2.189
310 HE2 PHE 41 2HE PHE 41 -0.561 -2.410 0.868
311 HZ PHE 41 HZ PHE 41 -1.319 -4.723 0.407
312 H LEU 42 H LEU 42 -1.867 -2.711 8.294
313 HA LEU 42 HA LEU 42 -0.970 -0.235 9.076
314 1HB LEU 42 2HB LEU 42 -1.787 -2.653 10.652
315 2HB LEU 42 1HB LEU 42 -1.167 -1.251 11.521
316 HG LEU 42 HG LEU 42 -2.866 0.184 10.480
317 1HD1 LEU 42 1HD1 LEU 42 -4.649 -0.996 9.097
318 2HD1 LEU 42 2HD1 LEU 42 -3.506 -2.338 8.970
319 3HD1 LEU 42 3HD1 LEU 42 -3.079 -0.748 8.329
320 1HD2 LEU 42 1HD2 LEU 42 -3.709 -0.781 12.476
321 2HD2 LEU 42 2HD2 LEU 42 -3.840 -2.381 11.743
322 3HD2 LEU 42 3HD2 LEU 42 -4.966 -1.105 11.280
323 H GLY 43 H GLY 43 0.565 -3.264 10.191
324 1HA GLY 43 2HA GLY 43 3.144 -1.753 10.388
325 2HA GLY 43 1HA GLY 43 2.635 -2.858 11.662
326 H HIS 44 H HIS 44 1.950 -3.614 8.336
327 HA HIS 44 HA HIS 44 4.039 -5.768 8.456
328 1HB HIS 44 2HB HIS 44 1.228 -5.734 7.374
329 2HB HIS 44 1HB HIS 44 2.414 -6.861 6.715
330 HD1 HIS 44 1HD HIS 44 1.681 -9.038 7.764
331 HD2 HIS 44 2HD HIS 44 2.033 -5.975 10.566
332 HE1 HIS 44 1HE HIS 44 1.387 -10.112 10.039
333 H ARG 45 H ARG 45 4.961 -6.376 6.351
334 HA ARG 45 HA ARG 45 5.566 -4.019 4.733
335 1HB ARG 45 2HB ARG 45 7.228 -5.321 3.727
336 2HB ARG 45 1HB ARG 45 7.082 -6.123 5.285
337 1HG ARG 45 2HG ARG 45 5.297 -7.596 4.121
338 2HG ARG 45 1HG ARG 45 5.986 -6.990 2.623
339 1HD ARG 45 2HD ARG 45 7.657 -8.487 2.773
340 2HD ARG 45 1HD ARG 45 8.170 -7.781 4.298
341 HE ARG 45 HE ARG 45 7.062 -10.339 4.050
342 1HH1 ARG 45 1HH2 ARG 45 6.266 -7.426 5.727
343 2HH1 ARG 45 2HH2 ARG 45 5.410 -8.240 6.990
344 1HH2 ARG 45 1HH1 ARG 45 5.954 -11.402 5.687
345 2HH2 ARG 45 2HH1 ARG 45 5.232 -10.486 6.967
346 H HIS 46 H HIS 46 5.174 -3.973 2.358
347 HA HIS 46 HA HIS 46 2.676 -5.465 1.637
348 1HB HIS 46 2HB HIS 46 2.404 -3.514 -0.034
349 2HB HIS 46 1HB HIS 46 2.043 -3.208 1.656
350 HD1 HIS 46 1HD HIS 46 3.957 -1.965 3.065
351 HD2 HIS 46 2HD HIS 46 4.522 -2.011 -1.067
352 HE1 HIS 46 1HE HIS 46 5.732 -0.229 2.565
353 H TYR 47 H TYR 47 2.449 -5.585 -0.813
354 HA TYR 47 HA TYR 47 5.083 -6.041 -2.134
355 1HB TYR 47 2HB TYR 47 2.781 -7.969 -2.358
356 2HB TYR 47 1HB TYR 47 4.469 -8.244 -2.739
357 HD1 TYR 47 1HD TYR 47 5.986 -9.031 -1.070
358 HD2 TYR 47 2HD TYR 47 2.148 -7.491 0.086
359 HE1 TYR 47 1HE TYR 47 6.389 -9.730 1.283
360 HE2 TYR 47 2HE TYR 47 2.560 -8.202 2.417
361 HH TYR 47 HH TYR 47 5.474 -10.028 3.286
362 H GLU 48 H GLU 48 5.101 -5.120 -4.134
363 HA GLU 48 HA GLU 48 2.512 -4.105 -5.212
364 1HB GLU 48 2HB GLU 48 5.379 -3.256 -5.481
365 2HB GLU 48 1HB GLU 48 4.199 -2.759 -6.693
366 1HG GLU 48 2HG GLU 48 2.784 -1.788 -4.930
367 2HG GLU 48 1HG GLU 48 3.951 -2.289 -3.708
368 H ARG 49 H ARG 49 1.956 -4.327 -7.376
369 HA ARG 49 HA ARG 49 3.592 -6.131 -9.074
370 1HB ARG 49 2HB ARG 49 2.023 -7.623 -7.924
371 2HB ARG 49 1HB ARG 49 0.677 -6.617 -8.428
372 1HG ARG 49 2HG ARG 49 2.088 -7.188 -10.808
373 2HG ARG 49 1HG ARG 49 2.043 -8.708 -9.917
374 1HD ARG 49 2HD ARG 49 -0.301 -8.764 -9.896
375 2HD ARG 49 1HD ARG 49 -0.451 -7.043 -10.213
376 HE ARG 49 HE ARG 49 0.837 -8.097 -12.463
377 1HH1 ARG 49 1HH2 ARG 49 -2.097 -8.564 -10.717
378 2HH1 ARG 49 2HH2 ARG 49 -2.983 -9.128 -12.094
379 1HH2 ARG 49 1HH1 ARG 49 -0.302 -8.835 -14.272
380 2HH2 ARG 49 2HH1 ARG 49 -1.968 -9.281 -14.106
381 H LYS 50 H LYS 50 3.547 -5.489 -11.147
382 HA LYS 50 HA LYS 50 3.301 -3.931 -12.867
383 1HB LYS 50 2HB LYS 50 1.211 -4.190 -14.038
384 2HB LYS 50 1HB LYS 50 1.660 -5.753 -13.365
385 1HG LYS 50 2HG LYS 50 -0.193 -5.831 -12.059
386 2HG LYS 50 1HG LYS 50 0.013 -4.174 -11.519
387 1HD LYS 50 2HD LYS 50 -2.089 -4.452 -12.788
388 2HD LYS 50 1HD LYS 50 -0.988 -3.333 -13.590
389 1HE LYS 50 2HE LYS 50 -2.189 -5.280 -14.949
390 2HE LYS 50 1HE LYS 50 -0.532 -4.809 -15.322
391 1HZ LYS 50 1HZ LYS 50 -0.494 -7.123 -15.118
392 2HZ LYS 50 2HZ LYS 50 -1.468 -7.116 -13.727
393 3HZ LYS 50 3HZ LYS 50 0.135 -6.560 -13.647
394 H GLY 51 H GLY 51 2.993 -2.865 -10.135
395 1HA GLY 51 2HA GLY 51 2.800 -0.549 -9.573
396 2HA GLY 51 1HA GLY 51 1.789 -0.320 -10.991
397 H LEU 52 H LEU 52 1.237 -2.875 -8.676
398 HA LEU 52 HA LEU 52 -0.977 -1.348 -7.435
399 1HB LEU 52 2HB LEU 52 -1.260 -3.867 -9.049
400 2HB LEU 52 1HB LEU 52 -2.366 -3.555 -7.716
401 HG LEU 52 HG LEU 52 -1.854 -1.688 -10.048
402 1HD1 LEU 52 1HD1 LEU 52 -3.088 -3.545 -10.874
403 2HD1 LEU 52 2HD1 LEU 52 -4.302 -2.314 -10.519
404 3HD1 LEU 52 3HD1 LEU 52 -4.052 -3.657 -9.401
405 1HD2 LEU 52 1HD2 LEU 52 -4.192 -0.888 -8.867
406 2HD2 LEU 52 2HD2 LEU 52 -2.618 -0.181 -8.504
407 3HD2 LEU 52 3HD2 LEU 52 -3.283 -1.435 -7.455
408 H ALA 53 H ALA 53 -1.317 -1.920 -5.318
409 HA ALA 53 HA ALA 53 0.780 -3.467 -4.061
410 1HB ALA 53 1HB ALA 53 -1.764 -2.247 -2.980
411 2HB ALA 53 2HB ALA 53 -0.129 -1.591 -2.851
412 3HB ALA 53 3HB ALA 53 -0.565 -3.058 -1.965
413 H TYR 54 H TYR 54 0.580 -5.386 -2.882
414 HA TYR 54 HA TYR 54 -1.925 -6.895 -2.973
415 1HB TYR 54 2HB TYR 54 0.543 -7.694 -4.509
416 2HB TYR 54 1HB TYR 54 -0.626 -8.883 -3.957
417 HD1 TYR 54 1HD TYR 54 0.087 -6.241 -6.310
418 HD2 TYR 54 2HD TYR 54 -3.003 -8.751 -4.723
419 HE1 TYR 54 1HE TYR 54 -1.340 -5.680 -8.224
420 HE2 TYR 54 2HE TYR 54 -4.456 -8.168 -6.670
421 HH TYR 54 HH TYR 54 -3.457 -7.030 -9.422
422 H CYS 55 H CYS 55 -1.994 -8.262 -1.164
423 HA CYS 55 HA CYS 55 -0.087 -7.891 0.886
424 1HB CYS 55 2HB CYS 55 -1.899 -10.289 0.391
425 2HB CYS 55 1HB CYS 55 -1.022 -9.997 1.891
426 H GLU 56 H GLU 56 1.114 -10.009 1.794
427 HA GLU 56 HA GLU 56 3.248 -10.652 0.010
428 1HB GLU 56 2HB GLU 56 3.226 -10.827 2.572
429 2HB GLU 56 1HB GLU 56 2.384 -12.353 2.357
430 1HG GLU 56 2HG GLU 56 4.216 -13.326 1.191
431 2HG GLU 56 1HG GLU 56 5.005 -11.767 0.971
432 H THR 57 H THR 57 0.304 -12.402 0.897
433 HA THR 57 HA THR 57 1.022 -14.707 -0.757
434 HB THR 57 HB THR 57 -1.450 -14.052 0.855
435 HG1 THR 57 1HG THR 57 0.165 -16.210 1.421
436 1HG2 THR 57 1HG2 THR 57 -0.723 -16.453 -0.828
437 2HG2 THR 57 2HG2 THR 57 -2.203 -15.494 -0.877
438 3HG2 THR 57 3HG2 THR 57 -1.884 -16.555 0.496
439 H HIS 58 H HIS 58 -1.377 -12.068 -0.961
440 HA HIS 58 HA HIS 58 -2.602 -13.161 -3.306
441 1HB HIS 58 2HB HIS 58 -2.520 -10.312 -2.296
442 2HB HIS 58 1HB HIS 58 -3.555 -10.886 -3.597
443 HD2 HIS 58 2HD HIS 58 -4.530 -13.724 -2.190
444 HE1 HIS 58 1HE HIS 58 -5.985 -11.269 0.920
445 HE2 HIS 58 2HE HIS 58 -6.110 -13.578 -0.123
446 H TYR 59 H TYR 59 -0.038 -10.752 -2.802
447 HA TYR 59 HA TYR 59 0.442 -10.068 -5.473
448 1HB TYR 59 2HB TYR 59 1.714 -9.047 -3.663
449 2HB TYR 59 1HB TYR 59 2.379 -10.599 -3.194
450 HD1 TYR 59 1HD TYR 59 1.885 -9.410 -6.674
451 HD2 TYR 59 2HD TYR 59 4.713 -10.201 -3.543
452 HE1 TYR 59 1HE TYR 59 3.720 -9.134 -8.264
453 HE2 TYR 59 2HE TYR 59 6.570 -9.897 -5.152
454 HH TYR 59 HH TYR 59 6.014 -8.715 -8.398
455 H ASN 60 H ASN 60 1.903 -12.602 -3.526
456 HA ASN 60 HA ASN 60 3.194 -13.879 -5.694
457 1HB ASN 60 2HB ASN 60 2.359 -14.889 -2.970
458 2HB ASN 60 1HB ASN 60 3.273 -15.873 -4.112
459 1HD2 ASN 60 1HD2 ASN 60 4.138 -14.711 -1.444
460 2HD2 ASN 60 2HD2 ASN 60 5.531 -13.807 -1.794
461 H GLN 61 H GLN 61 0.080 -14.539 -4.082
462 HA GLN 61 HA GLN 61 -0.659 -16.805 -5.630
463 1HB GLN 61 2HB GLN 61 -1.995 -15.687 -3.706
464 2HB GLN 61 1HB GLN 61 -2.625 -14.608 -4.952
465 1HG GLN 61 2HG GLN 61 -3.528 -16.482 -6.198
466 2HG GLN 61 1HG GLN 61 -2.772 -17.631 -5.094
467 1HE2 GLN 61 1HE2 GLN 61 -3.439 -17.120 -2.635
468 2HE2 GLN 61 2HE2 GLN 61 -5.093 -16.822 -2.398
469 H LEU 62 H LEU 62 -0.661 -13.397 -6.279
470 HA LEU 62 HA LEU 62 -1.914 -13.609 -8.900
471 1HB LEU 62 2HB LEU 62 -0.674 -11.460 -7.241
472 2HB LEU 62 1HB LEU 62 -0.710 -11.198 -8.976
473 HG LEU 62 HG LEU 62 -3.250 -11.965 -8.680
474 1HD1 LEU 62 1HD1 LEU 62 -4.167 -11.066 -6.568
475 2HD1 LEU 62 2HD1 LEU 62 -2.528 -10.762 -5.997
476 3HD1 LEU 62 3HD1 LEU 62 -3.076 -12.419 -6.275
477 1HD2 LEU 62 1HD2 LEU 62 -2.628 -9.842 -9.618
478 2HD2 LEU 62 2HD2 LEU 62 -2.087 -9.252 -8.048
479 3HD2 LEU 62 3HD2 LEU 62 -3.805 -9.534 -8.343
480 H PHE 63 H PHE 63 1.391 -13.307 -7.661
481 HA PHE 63 HA PHE 63 2.412 -14.438 -10.189
482 1HB PHE 63 2HB PHE 63 2.815 -11.608 -9.320
483 2HB PHE 63 1HB PHE 63 4.190 -12.440 -10.044
484 HD1 PHE 63 1HD PHE 63 0.694 -11.362 -10.577
485 HD2 PHE 63 2HD PHE 63 4.224 -13.003 -12.383
486 HE1 PHE 63 1HE PHE 63 -0.301 -11.032 -12.828
487 HE2 PHE 63 2HE PHE 63 3.235 -12.667 -14.633
488 HZ PHE 63 HZ PHE 63 0.971 -11.680 -14.855
489 H GLY 64 H GLY 64 4.195 -12.522 -7.868
490 1HA GLY 64 2HA GLY 64 5.825 -13.116 -6.283
491 2HA GLY 64 1HA GLY 64 5.086 -14.716 -6.219
492 H ASP 65 H ASP 65 5.522 -14.519 -9.345
493 HA ASP 65 HA ASP 65 8.232 -14.542 -9.994
494 1HB ASP 65 2HB ASP 65 8.507 -17.173 -9.919
495 2HB ASP 65 1HB ASP 65 8.883 -16.205 -8.494
496 H VAL 66 H VAL 66 6.554 -17.534 -10.529
497 HA VAL 66 HA VAL 66 5.988 -18.498 -12.619
498 HB VAL 66 HB VAL 66 3.887 -17.547 -11.728
499 1HG1 VAL 66 1HG1 VAL 66 3.110 -15.359 -12.757
500 2HG1 VAL 66 2HG1 VAL 66 4.772 -15.102 -13.280
501 3HG1 VAL 66 3HG1 VAL 66 4.395 -15.213 -11.561
502 1HG2 VAL 66 1HG2 VAL 66 4.308 -18.498 -14.232
503 2HG2 VAL 66 2HG2 VAL 66 3.675 -16.901 -14.628
504 3HG2 VAL 66 3HG2 VAL 66 2.718 -18.009 -13.649
Start of MODEL 16
1 1H GLY 1 1HT GLY 1 8.582 31.034 6.192
2 2H GLY 1 2HT GLY 1 8.741 30.738 4.526
3 3H GLY 1 3HT GLY 1 9.987 30.297 5.594
4 1HA GLY 1 2HA GLY 1 8.957 28.429 6.294
5 2HA GLY 1 1HA GLY 1 7.359 29.152 6.110
6 H SER 2 H SER 2 7.981 26.566 5.121
7 HA SER 2 HA SER 2 7.035 26.789 2.424
8 1HB SER 2 2HB SER 2 9.228 27.468 1.774
9 2HB SER 2 1HB SER 2 9.988 26.270 2.819
10 HG SER 2 HG SER 2 10.020 25.303 0.890
11 H MET 3 H MET 3 6.291 25.315 4.718
12 HA MET 3 HA MET 3 7.270 22.573 4.451
13 1HB MET 3 2HB MET 3 4.918 23.718 5.988
14 2HB MET 3 1HB MET 3 5.500 22.058 6.121
15 1HG MET 3 2HG MET 3 7.290 24.446 6.607
16 2HG MET 3 1HG MET 3 6.359 23.684 7.896
17 1HE MET 3 1HE MET 3 8.863 23.645 8.892
18 2HE MET 3 2HE MET 3 9.401 21.980 9.098
19 3HE MET 3 3HE MET 3 7.733 22.410 9.462
20 H GLY 4 H GLY 4 5.193 20.910 4.421
21 1HA GLY 4 2HA GLY 4 3.172 21.663 2.449
22 2HA GLY 4 1HA GLY 4 4.391 20.555 1.818
23 H VAL 5 H VAL 5 2.373 19.148 1.625
24 HA VAL 5 HA VAL 5 2.276 17.361 3.960
25 HB VAL 5 HB VAL 5 -0.008 19.094 3.103
26 1HG1 VAL 5 1HG1 VAL 5 -1.062 17.071 2.555
27 2HG1 VAL 5 2HG1 VAL 5 -1.490 17.285 4.256
28 3HG1 VAL 5 3HG1 VAL 5 -0.208 16.174 3.811
29 1HG2 VAL 5 1HG2 VAL 5 -0.560 18.805 5.552
30 2HG2 VAL 5 2HG2 VAL 5 1.001 19.572 5.241
31 3HG2 VAL 5 3HG2 VAL 5 0.931 17.872 5.713
32 HA PRO 6 HA PRO 6 1.954 14.618 0.474
33 1HB PRO 6 2HB PRO 6 1.543 12.359 2.148
34 2HB PRO 6 1HB PRO 6 3.086 12.909 1.490
35 1HG PRO 6 2HG PRO 6 2.204 13.026 4.239
36 2HG PRO 6 1HG PRO 6 3.763 13.503 3.565
37 1HD PRO 6 2HD PRO 6 1.602 15.203 4.466
38 2HD PRO 6 1HD PRO 6 3.203 15.668 3.888
39 H ILE 7 H ILE 7 0.299 13.104 -0.326
40 HA ILE 7 HA ILE 7 -2.301 13.406 1.085
41 HB ILE 7 HB ILE 7 -1.656 14.143 -1.764
42 1HG1 ILE 7 2HG1 ILE 7 -3.294 15.429 0.424
43 2HG1 ILE 7 1HG1 ILE 7 -1.602 15.790 0.142
44 1HG2 ILE 7 1HG2 ILE 7 -3.528 12.704 -2.050
45 2HG2 ILE 7 2HG2 ILE 7 -4.224 14.322 -1.941
46 3HG2 ILE 7 3HG2 ILE 7 -4.269 13.245 -0.544
47 1HD1 ILE 7 1HD1 ILE 7 -3.396 17.349 -0.890
48 2HD1 ILE 7 2HD1 ILE 7 -3.631 16.053 -2.067
49 3HD1 ILE 7 3HD1 ILE 7 -2.056 16.832 -1.915
50 H CYS 8 H CYS 8 -3.110 11.504 1.437
51 HA CYS 8 HA CYS 8 -2.023 9.096 0.492
52 1HB CYS 8 2HB CYS 8 -3.295 9.079 2.510
53 2HB CYS 8 1HB CYS 8 -4.711 9.734 1.698
54 H GLY 9 H GLY 9 -2.059 8.317 -1.493
55 1HA GLY 9 2HA GLY 9 -3.732 9.298 -3.581
56 2HA GLY 9 1HA GLY 9 -2.764 7.830 -3.673
57 H ALA 10 H ALA 10 -4.577 7.465 -0.971
58 HA ALA 10 HA ALA 10 -6.440 5.662 -2.360
59 1HB ALA 10 1HB ALA 10 -6.726 4.620 -0.317
60 2HB ALA 10 2HB ALA 10 -6.593 6.128 0.590
61 3HB ALA 10 3HB ALA 10 -5.145 5.350 -0.044
62 H CYS 11 H CYS 11 -6.722 8.361 -0.049
63 HA CYS 11 HA CYS 11 -9.514 8.790 -1.045
64 1HB CYS 11 2HB CYS 11 -9.624 10.180 1.164
65 2HB CYS 11 1HB CYS 11 -9.682 8.421 1.272
66 H ARG 12 H ARG 12 -6.490 9.891 -1.591
67 HA ARG 12 HA ARG 12 -5.603 11.920 -2.335
68 1HB ARG 12 2HB ARG 12 -8.541 12.303 -3.004
69 2HB ARG 12 1HB ARG 12 -7.276 13.420 -3.509
70 1HG ARG 12 2HG ARG 12 -7.299 12.058 -5.371
71 2HG ARG 12 1HG ARG 12 -6.150 11.148 -4.394
72 1HD ARG 12 2HD ARG 12 -7.771 9.572 -5.207
73 2HD ARG 12 1HD ARG 12 -8.124 9.825 -3.498
74 HE ARG 12 HE ARG 12 -9.721 11.688 -4.781
75 1HH1 ARG 12 1HH2 ARG 12 -9.157 8.294 -5.010
76 2HH1 ARG 12 2HH2 ARG 12 -10.770 7.927 -5.525
77 1HH2 ARG 12 1HH1 ARG 12 -11.829 11.228 -5.453
78 2HH2 ARG 12 2HH1 ARG 12 -12.282 9.588 -5.776
79 H ARG 13 H ARG 13 -6.072 11.737 0.411
80 HA ARG 13 HA ARG 13 -7.023 14.488 1.094
81 1HB ARG 13 2HB ARG 13 -7.187 11.869 2.560
82 2HB ARG 13 1HB ARG 13 -7.169 13.377 3.472
83 1HG ARG 13 2HG ARG 13 -9.080 14.177 2.050
84 2HG ARG 13 1HG ARG 13 -9.156 12.569 1.332
85 1HD ARG 13 2HD ARG 13 -9.333 11.694 3.750
86 2HD ARG 13 1HD ARG 13 -9.678 13.366 4.196
87 HE ARG 13 HE ARG 13 -11.449 12.857 2.128
88 1HH1 ARG 13 1HH2 ARG 13 -10.604 11.370 5.121
89 2HH1 ARG 13 2HH2 ARG 13 -12.187 10.727 5.402
90 1HH2 ARG 13 1HH1 ARG 13 -13.521 12.025 2.476
91 2HH2 ARG 13 2HH1 ARG 13 -13.839 11.098 3.905
92 HA PRO 14 HA PRO 14 -2.867 15.460 2.166
93 1HB PRO 14 2HB PRO 14 -3.713 16.981 4.491
94 2HB PRO 14 1HB PRO 14 -3.094 17.581 2.949
95 1HG PRO 14 2HG PRO 14 -5.776 17.722 3.870
96 2HG PRO 14 1HG PRO 14 -5.159 18.169 2.270
97 1HD PRO 14 2HD PRO 14 -6.800 15.879 2.967
98 2HD PRO 14 1HD PRO 14 -6.230 16.380 1.362
99 H ILE 15 H ILE 15 -1.694 13.795 3.027
100 HA ILE 15 HA ILE 15 -2.574 12.361 5.402
101 HB ILE 15 HB ILE 15 0.107 12.340 3.970
102 1HG1 ILE 15 2HG1 ILE 15 -1.917 10.135 3.880
103 2HG1 ILE 15 1HG1 ILE 15 -2.173 11.557 2.871
104 1HG2 ILE 15 1HG2 ILE 15 -1.033 10.751 6.257
105 2HG2 ILE 15 2HG2 ILE 15 0.580 11.438 6.087
106 3HG2 ILE 15 3HG2 ILE 15 0.128 10.005 5.159
107 1HD1 ILE 15 1HD1 ILE 15 -0.726 9.467 2.017
108 2HD1 ILE 15 2HD1 ILE 15 0.557 10.349 2.850
109 3HD1 ILE 15 3HD1 ILE 15 -0.337 11.122 1.546
110 H GLU 16 H GLU 16 -1.313 12.324 7.476
111 HA GLU 16 HA GLU 16 0.540 14.545 7.952
112 1HB GLU 16 2HB GLU 16 -0.931 15.592 9.721
113 2HB GLU 16 1HB GLU 16 -1.478 15.841 8.063
114 1HG GLU 16 2HG GLU 16 -2.485 13.501 9.676
115 2HG GLU 16 1HG GLU 16 -3.226 15.092 9.837
116 H GLY 17 H GLY 17 1.331 12.141 8.383
117 1HA GLY 17 2HA GLY 17 1.861 11.945 11.190
118 2HA GLY 17 1HA GLY 17 0.660 10.734 10.733
119 H ARG 18 H ARG 18 1.328 8.947 9.665
120 HA ARG 18 HA ARG 18 4.209 8.822 8.858
121 1HB ARG 18 2HB ARG 18 2.323 6.711 9.923
122 2HB ARG 18 1HB ARG 18 3.803 6.292 9.055
123 1HG ARG 18 2HG ARG 18 5.055 7.768 10.695
124 2HG ARG 18 1HG ARG 18 3.563 7.854 11.632
125 1HD ARG 18 2HD ARG 18 4.801 5.222 10.812
126 2HD ARG 18 1HD ARG 18 5.226 6.033 12.320
127 HE ARG 18 HE ARG 18 2.459 5.937 12.383
128 1HH1 ARG 18 1HH2 ARG 18 5.029 3.690 11.907
129 2HH1 ARG 18 2HH2 ARG 18 4.169 2.355 12.600
130 1HH2 ARG 18 1HH1 ARG 18 1.321 4.208 13.292
131 2HH2 ARG 18 2HH1 ARG 18 2.070 2.649 13.384
132 H VAL 19 H VAL 19 4.453 8.792 6.709
133 HA VAL 19 HA VAL 19 2.082 8.195 5.017
134 HB VAL 19 HB VAL 19 4.742 9.430 4.259
135 1HG1 VAL 19 1HG1 VAL 19 2.247 8.745 2.791
136 2HG1 VAL 19 2HG1 VAL 19 3.898 8.901 2.190
137 3HG1 VAL 19 3HG1 VAL 19 2.919 10.343 2.467
138 1HG2 VAL 19 1HG2 VAL 19 3.824 11.540 4.639
139 2HG2 VAL 19 2HG2 VAL 19 3.134 10.626 5.978
140 3HG2 VAL 19 3HG2 VAL 19 2.168 10.947 4.539
141 H VAL 20 H VAL 20 2.348 6.945 3.060
142 HA VAL 20 HA VAL 20 4.566 4.942 3.203
143 HB VAL 20 HB VAL 20 1.624 4.561 2.661
144 1HG1 VAL 20 1HG1 VAL 20 3.962 3.057 1.521
145 2HG1 VAL 20 2HG1 VAL 20 2.415 3.449 0.768
146 3HG1 VAL 20 3HG1 VAL 20 2.509 2.160 1.968
147 1HG2 VAL 20 1HG2 VAL 20 3.617 2.889 4.212
148 2HG2 VAL 20 2HG2 VAL 20 1.858 2.778 4.265
149 3HG2 VAL 20 3HG2 VAL 20 2.673 4.190 4.934
150 H ASN 21 H ASN 21 5.863 5.337 1.475
151 HA ASN 21 HA ASN 21 4.742 6.750 -0.855
152 1HB ASN 21 2HB ASN 21 7.547 5.927 -0.114
153 2HB ASN 21 1HB ASN 21 7.144 6.746 -1.620
154 1HD2 ASN 21 1HD2 ASN 21 5.903 7.266 1.725
155 2HD2 ASN 21 2HD2 ASN 21 6.333 8.908 1.786
156 H ALA 22 H ALA 22 3.656 5.425 -2.214
157 HA ALA 22 HA ALA 22 5.135 3.129 -3.374
158 1HB ALA 22 1HB ALA 22 3.633 2.321 -1.472
159 2HB ALA 22 2HB ALA 22 3.334 1.581 -3.045
160 3HB ALA 22 3HB ALA 22 2.266 2.853 -2.452
161 H MET 23 H MET 23 4.154 2.465 -5.462
162 HA MET 23 HA MET 23 3.245 3.017 -7.553
163 1HB MET 23 2HB MET 23 1.267 4.732 -6.048
164 2HB MET 23 1HB MET 23 1.028 3.889 -7.575
165 1HG MET 23 2HG MET 23 1.614 2.370 -5.032
166 2HG MET 23 1HG MET 23 -0.026 2.846 -5.457
167 1HE MET 23 1HE MET 23 0.598 -0.227 -5.082
168 2HE MET 23 2HE MET 23 2.283 0.221 -5.349
169 3HE MET 23 3HE MET 23 1.530 -1.000 -6.376
170 H GLY 24 H GLY 24 5.052 4.834 -5.885
171 1HA GLY 24 2HA GLY 24 6.249 6.815 -6.360
172 2HA GLY 24 1HA GLY 24 5.335 6.919 -7.868
173 H LYS 25 H LYS 25 3.703 6.535 -4.859
174 HA LYS 25 HA LYS 25 2.860 9.409 -4.871
175 1HB LYS 25 2HB LYS 25 1.124 6.944 -4.530
176 2HB LYS 25 1HB LYS 25 0.571 8.597 -4.297
177 1HG LYS 25 2HG LYS 25 1.800 8.634 -6.817
178 2HG LYS 25 1HG LYS 25 0.926 7.104 -6.779
179 1HD LYS 25 2HD LYS 25 -0.695 8.612 -7.566
180 2HD LYS 25 1HD LYS 25 -1.059 8.514 -5.848
181 1HE LYS 25 2HE LYS 25 -1.056 10.837 -6.313
182 2HE LYS 25 1HE LYS 25 0.521 10.537 -5.584
183 1HZ LYS 25 1HZ LYS 25 1.508 10.440 -7.755
184 2HZ LYS 25 2HZ LYS 25 0.640 11.894 -7.614
185 3HZ LYS 25 3HZ LYS 25 -0.005 10.600 -8.505
186 H GLN 26 H GLN 26 1.040 8.958 -2.736
187 HA GLN 26 HA GLN 26 2.752 8.104 -0.452
188 1HB GLN 26 2HB GLN 26 1.341 10.744 -0.900
189 2HB GLN 26 1HB GLN 26 1.699 10.177 0.724
190 1HG GLN 26 2HG GLN 26 3.968 10.502 0.488
191 2HG GLN 26 1HG GLN 26 3.958 10.022 -1.205
192 1HE2 GLN 26 1HE2 GLN 26 1.523 12.321 -0.823
193 2HE2 GLN 26 2HE2 GLN 26 2.403 13.702 -1.264
194 H TRP 27 H TRP 27 1.428 7.086 1.191
195 HA TRP 27 HA TRP 27 -1.519 7.133 0.687
196 1HB TRP 27 2HB TRP 27 0.128 4.618 1.046
197 2HB TRP 27 1HB TRP 27 -1.613 4.697 0.788
198 HD1 TRP 27 HD TRP 27 1.717 5.324 -1.013
199 HE1 TRP 27 1HE TRP 27 1.286 5.319 -3.556
200 HE3 TRP 27 3HE TRP 27 -3.353 4.985 -1.028
201 HZ2 TRP 27 2HZ TRP 27 -0.938 5.190 -5.358
202 HZ3 TRP 27 3HZ TRP 27 -4.614 4.921 -3.150
203 HH2 TRP 27 HH TRP 27 -3.416 5.024 -5.320
204 H HIS 28 H HIS 28 -2.744 7.050 2.586
205 HA HIS 28 HA HIS 28 -1.489 7.537 5.102
206 1HB HIS 28 2HB HIS 28 -4.208 6.426 4.371
207 2HB HIS 28 1HB HIS 28 -3.699 6.532 6.050
208 HD2 HIS 28 2HD HIS 28 -2.764 9.382 6.633
209 HE1 HIS 28 1HE HIS 28 -5.691 10.910 4.001
210 HE2 HIS 28 2HE HIS 28 -4.081 11.506 5.874
211 H VAL 29 H VAL 29 -0.650 6.072 6.612
212 HA VAL 29 HA VAL 29 0.251 3.545 5.741
213 HB VAL 29 HB VAL 29 -0.094 4.811 8.451
214 1HG1 VAL 29 1HG1 VAL 29 0.716 1.975 7.805
215 2HG1 VAL 29 2HG1 VAL 29 -0.448 2.535 9.005
216 3HG1 VAL 29 3HG1 VAL 29 1.279 2.788 9.266
217 1HG2 VAL 29 1HG2 VAL 29 2.412 3.781 7.130
218 2HG2 VAL 29 2HG2 VAL 29 2.246 5.036 8.352
219 3HG2 VAL 29 3HG2 VAL 29 1.740 5.355 6.692
220 H GLU 30 H GLU 30 -2.839 4.534 6.889
221 HA GLU 30 HA GLU 30 -3.624 1.758 7.533
222 1HB GLU 30 2HB GLU 30 -5.835 2.886 8.133
223 2HB GLU 30 1HB GLU 30 -4.444 3.323 9.125
224 1HG GLU 30 2HG GLU 30 -4.170 5.405 8.009
225 2HG GLU 30 1HG GLU 30 -5.243 4.927 6.693
226 H HIS 31 H HIS 31 -3.938 4.087 4.950
227 HA HIS 31 HA HIS 31 -6.145 2.510 3.726
228 1HB HIS 31 2HB HIS 31 -4.838 5.097 2.828
229 2HB HIS 31 1HB HIS 31 -6.193 4.314 2.023
230 HD2 HIS 31 2HD HIS 31 -7.611 3.559 5.105
231 HE1 HIS 31 1HE HIS 31 -8.127 7.744 5.185
232 HE2 HIS 31 2HE HIS 31 -8.870 5.550 6.217
233 H PHE 32 H PHE 32 -2.762 2.545 3.675
234 HA PHE 32 HA PHE 32 -2.549 1.740 0.859
235 1HB PHE 32 2HB PHE 32 -0.646 2.850 2.192
236 2HB PHE 32 1HB PHE 32 -0.440 1.286 2.982
237 HD1 PHE 32 1HD PHE 32 1.171 -0.116 2.035
238 HD2 PHE 32 2HD PHE 32 -1.020 2.562 -0.515
239 HE1 PHE 32 1HE PHE 32 2.410 -0.963 0.062
240 HE2 PHE 32 2HE PHE 32 0.218 1.710 -2.475
241 HZ PHE 32 HZ PHE 32 1.936 -0.053 -2.189
242 H VAL 33 H VAL 33 -3.573 -0.123 0.424
243 HA VAL 33 HA VAL 33 -3.024 -2.470 2.189
244 HB VAL 33 HB VAL 33 -5.341 -3.173 1.860
245 1HG1 VAL 33 1HG1 VAL 33 -4.572 -0.722 3.243
246 2HG1 VAL 33 2HG1 VAL 33 -5.672 -1.999 3.756
247 3HG1 VAL 33 3HG1 VAL 33 -6.264 -0.681 2.752
248 1HG2 VAL 33 1HG2 VAL 33 -5.512 -0.616 0.243
249 2HG2 VAL 33 2HG2 VAL 33 -6.923 -1.537 0.765
250 3HG2 VAL 33 3HG2 VAL 33 -5.757 -2.263 -0.344
251 H CYS 34 H CYS 34 -3.823 -4.500 1.054
252 HA CYS 34 HA CYS 34 -2.356 -4.905 -1.365
253 1HB CYS 34 2HB CYS 34 -2.729 -6.814 -0.068
254 2HB CYS 34 1HB CYS 34 -4.431 -6.455 0.164
255 H ALA 35 H ALA 35 -3.140 -5.150 -3.519
256 HA ALA 35 HA ALA 35 -5.587 -3.585 -4.062
257 1HB ALA 35 1HB ALA 35 -3.726 -4.804 -6.095
258 2HB ALA 35 2HB ALA 35 -3.327 -3.305 -5.256
259 3HB ALA 35 3HB ALA 35 -4.766 -3.394 -6.277
260 H LYS 36 H LYS 36 -5.605 -6.440 -2.996
261 HA LYS 36 HA LYS 36 -7.435 -7.534 -5.089
262 1HB LYS 36 2HB LYS 36 -5.386 -8.838 -5.281
263 2HB LYS 36 1HB LYS 36 -5.327 -9.078 -3.543
264 1HG LYS 36 2HG LYS 36 -6.201 -11.068 -4.763
265 2HG LYS 36 1HG LYS 36 -7.361 -10.417 -3.611
266 1HD LYS 36 2HD LYS 36 -8.411 -10.989 -5.791
267 2HD LYS 36 1HD LYS 36 -8.561 -9.277 -5.419
268 1HE LYS 36 2HE LYS 36 -6.898 -8.673 -6.991
269 2HE LYS 36 1HE LYS 36 -6.264 -10.316 -7.074
270 1HZ LYS 36 1HZ LYS 36 -8.892 -9.381 -8.085
271 2HZ LYS 36 2HZ LYS 36 -8.384 -11.003 -8.071
272 3HZ LYS 36 3HZ LYS 36 -7.561 -9.860 -9.020
273 H CYS 37 H CYS 37 -6.520 -7.366 -1.686
274 HA CYS 37 HA CYS 37 -9.274 -8.339 -0.984
275 1HB CYS 37 2HB CYS 37 -8.293 -9.338 1.040
276 2HB CYS 37 1HB CYS 37 -7.508 -9.973 -0.405
277 H GLU 38 H GLU 38 -6.838 -5.909 -0.573
278 HA GLU 38 HA GLU 38 -7.023 -3.813 0.403
279 1HB GLU 38 2HB GLU 38 -9.705 -4.542 1.565
280 2HB GLU 38 1HB GLU 38 -9.101 -2.957 1.091
281 1HG GLU 38 2HG GLU 38 -8.944 -4.177 -1.304
282 2HG GLU 38 1HG GLU 38 -10.258 -5.123 -0.605
283 H LYS 39 H LYS 39 -5.603 -5.773 1.695
284 HA LYS 39 HA LYS 39 -6.387 -5.537 4.557
285 1HB LYS 39 2HB LYS 39 -5.411 -7.701 3.158
286 2HB LYS 39 1HB LYS 39 -3.949 -7.071 3.907
287 1HG LYS 39 2HG LYS 39 -4.619 -8.276 5.720
288 2HG LYS 39 1HG LYS 39 -5.728 -6.946 6.004
289 1HD LYS 39 2HD LYS 39 -7.469 -8.110 4.699
290 2HD LYS 39 1HD LYS 39 -6.356 -9.447 4.408
291 1HE LYS 39 2HE LYS 39 -7.409 -8.524 7.097
292 2HE LYS 39 1HE LYS 39 -7.801 -10.034 6.273
293 1HZ LYS 39 1HZ LYS 39 -5.216 -10.302 6.310
294 2HZ LYS 39 2HZ LYS 39 -6.152 -10.727 7.663
295 3HZ LYS 39 3HZ LYS 39 -5.326 -9.243 7.630
296 HA PRO 40 HA PRO 40 -3.421 -2.148 4.317
297 1HB PRO 40 2HB PRO 40 -3.884 -1.442 6.997
298 2HB PRO 40 1HB PRO 40 -4.619 -0.696 5.596
299 1HG PRO 40 2HG PRO 40 -5.826 -2.449 7.558
300 2HG PRO 40 1HG PRO 40 -6.619 -1.580 6.248
301 1HD PRO 40 2HD PRO 40 -6.061 -4.397 6.410
302 2HD PRO 40 1HD PRO 40 -6.804 -3.528 5.058
303 H PHE 41 H PHE 41 -1.323 -2.057 4.815
304 HA PHE 41 HA PHE 41 -0.249 -4.077 6.731
305 1HB PHE 41 2HB PHE 41 1.554 -2.310 5.123
306 2HB PHE 41 1HB PHE 41 1.764 -3.993 5.593
307 HD1 PHE 41 1HD PHE 41 -0.136 -1.734 3.330
308 HD2 PHE 41 2HD PHE 41 1.065 -5.762 4.192
309 HE1 PHE 41 1HE PHE 41 -0.991 -2.462 1.116
310 HE2 PHE 41 2HE PHE 41 0.207 -6.488 1.992
311 HZ PHE 41 HZ PHE 41 -0.819 -4.848 0.448
312 H LEU 42 H LEU 42 -1.442 -2.267 8.223
313 HA LEU 42 HA LEU 42 -0.442 0.210 8.854
314 1HB LEU 42 2HB LEU 42 -1.344 -2.073 10.579
315 2HB LEU 42 1HB LEU 42 -0.648 -0.654 11.360
316 HG LEU 42 HG LEU 42 -2.292 0.791 10.208
317 1HD1 LEU 42 1HD1 LEU 42 -2.607 -0.374 8.172
318 2HD1 LEU 42 2HD1 LEU 42 -4.170 -0.406 8.997
319 3HD1 LEU 42 3HD1 LEU 42 -3.133 -1.837 9.007
320 1HD2 LEU 42 1HD2 LEU 42 -3.093 0.069 12.324
321 2HD2 LEU 42 2HD2 LEU 42 -3.336 -1.584 11.757
322 3HD2 LEU 42 3HD2 LEU 42 -4.415 -0.298 11.214
323 H GLY 43 H GLY 43 0.960 -2.815 10.118
324 1HA GLY 43 2HA GLY 43 3.630 -1.472 10.137
325 2HA GLY 43 1HA GLY 43 3.078 -2.369 11.551
326 H HIS 44 H HIS 44 2.306 -3.410 8.303
327 HA HIS 44 HA HIS 44 4.129 -5.762 8.704
328 1HB HIS 44 2HB HIS 44 1.375 -5.502 7.521
329 2HB HIS 44 1HB HIS 44 2.435 -6.804 6.985
330 HD1 HIS 44 1HD HIS 44 1.308 -8.755 8.162
331 HD2 HIS 44 2HD HIS 44 2.206 -5.623 10.759
332 HE1 HIS 44 1HE HIS 44 0.877 -9.621 10.502
333 H ARG 45 H ARG 45 4.382 -6.846 6.339
334 HA ARG 45 HA ARG 45 5.659 -4.729 4.684
335 1HB ARG 45 2HB ARG 45 7.172 -6.506 5.129
336 2HB ARG 45 1HB ARG 45 5.941 -7.736 4.848
337 1HG ARG 45 2HG ARG 45 5.959 -7.362 2.491
338 2HG ARG 45 1HG ARG 45 6.877 -5.866 2.662
339 1HD ARG 45 2HD ARG 45 8.768 -7.244 3.623
340 2HD ARG 45 1HD ARG 45 7.857 -8.686 3.174
341 HE ARG 45 HE ARG 45 7.971 -7.220 0.825
342 1HH1 ARG 45 1HH2 ARG 45 10.223 -8.374 3.168
343 2HH1 ARG 45 2HH2 ARG 45 11.516 -8.558 2.030
344 1HH2 ARG 45 1HH1 ARG 45 9.646 -7.454 -0.674
345 2HH2 ARG 45 2HH1 ARG 45 11.189 -8.038 -0.145
346 H HIS 46 H HIS 46 5.106 -4.452 2.483
347 HA HIS 46 HA HIS 46 2.613 -5.871 1.614
348 1HB HIS 46 2HB HIS 46 2.349 -3.814 0.097
349 2HB HIS 46 1HB HIS 46 2.021 -3.595 1.809
350 HD1 HIS 46 1HD HIS 46 3.801 -2.276 3.215
351 HD2 HIS 46 2HD HIS 46 4.661 -2.490 -0.861
352 HE1 HIS 46 1HE HIS 46 5.653 -0.602 2.785
353 H TYR 47 H TYR 47 2.429 -5.896 -0.828
354 HA TYR 47 HA TYR 47 5.097 -6.293 -2.117
355 1HB TYR 47 2HB TYR 47 2.720 -8.129 -2.437
356 2HB TYR 47 1HB TYR 47 4.362 -8.411 -2.979
357 HD1 TYR 47 1HD TYR 47 5.859 -9.579 -1.573
358 HD2 TYR 47 2HD TYR 47 2.406 -7.683 0.140
359 HE1 TYR 47 1HE TYR 47 6.439 -10.495 0.659
360 HE2 TYR 47 2HE TYR 47 2.999 -8.597 2.357
361 HH TYR 47 HH TYR 47 6.045 -9.983 3.010
362 H GLU 48 H GLU 48 5.192 -5.511 -4.214
363 HA GLU 48 HA GLU 48 2.710 -4.197 -5.239
364 1HB GLU 48 2HB GLU 48 5.642 -3.615 -5.492
365 2HB GLU 48 1HB GLU 48 4.529 -3.016 -6.723
366 1HG GLU 48 2HG GLU 48 3.215 -1.859 -5.036
367 2HG GLU 48 1HG GLU 48 4.211 -2.535 -3.747
368 H ARG 49 H ARG 49 2.067 -4.433 -7.375
369 HA ARG 49 HA ARG 49 3.605 -6.198 -9.173
370 1HB ARG 49 2HB ARG 49 2.187 -7.739 -7.819
371 2HB ARG 49 1HB ARG 49 0.763 -6.893 -8.406
372 1HG ARG 49 2HG ARG 49 2.345 -7.511 -10.694
373 2HG ARG 49 1HG ARG 49 2.261 -8.975 -9.717
374 1HD ARG 49 2HD ARG 49 0.375 -8.738 -11.367
375 2HD ARG 49 1HD ARG 49 -0.148 -8.908 -9.696
376 HE ARG 49 HE ARG 49 0.008 -6.164 -10.075
377 1HH1 ARG 49 1HH2 ARG 49 -1.512 -8.838 -11.633
378 2HH1 ARG 49 2HH2 ARG 49 -2.867 -7.914 -12.191
379 1HH2 ARG 49 1HH1 ARG 49 -1.752 -4.942 -10.795
380 2HH2 ARG 49 2HH1 ARG 49 -3.003 -5.708 -11.717
381 H LYS 50 H LYS 50 3.415 -5.454 -11.202
382 HA LYS 50 HA LYS 50 2.738 -4.118 -12.987
383 1HB LYS 50 2HB LYS 50 0.064 -5.029 -11.899
384 2HB LYS 50 1HB LYS 50 0.256 -4.178 -13.430
385 1HG LYS 50 2HG LYS 50 1.963 -6.029 -14.025
386 2HG LYS 50 1HG LYS 50 1.266 -6.920 -12.671
387 1HD LYS 50 2HD LYS 50 -0.920 -6.898 -13.682
388 2HD LYS 50 1HD LYS 50 -0.389 -5.780 -14.938
389 1HE LYS 50 2HE LYS 50 -0.481 -8.095 -15.792
390 2HE LYS 50 1HE LYS 50 1.171 -7.479 -15.802
391 1HZ LYS 50 1HZ LYS 50 0.024 -9.630 -14.276
392 2HZ LYS 50 2HZ LYS 50 0.949 -8.557 -13.339
393 3HZ LYS 50 3HZ LYS 50 1.644 -9.333 -14.682
394 H GLY 51 H GLY 51 2.996 -2.940 -10.225
395 1HA GLY 51 2HA GLY 51 2.940 -0.641 -9.608
396 2HA GLY 51 1HA GLY 51 1.865 -0.341 -10.969
397 H LEU 52 H LEU 52 1.297 -2.878 -8.659
398 HA LEU 52 HA LEU 52 -0.760 -1.260 -7.268
399 1HB LEU 52 2HB LEU 52 -1.262 -3.720 -8.920
400 2HB LEU 52 1HB LEU 52 -2.277 -3.388 -7.520
401 HG LEU 52 HG LEU 52 -1.804 -1.502 -9.846
402 1HD1 LEU 52 1HD1 LEU 52 -4.328 -1.994 -10.131
403 2HD1 LEU 52 2HD1 LEU 52 -4.034 -3.393 -9.096
404 3HD1 LEU 52 3HD1 LEU 52 -3.194 -3.245 -10.639
405 1HD2 LEU 52 1HD2 LEU 52 -2.379 0.013 -8.224
406 2HD2 LEU 52 2HD2 LEU 52 -3.070 -1.222 -7.169
407 3HD2 LEU 52 3HD2 LEU 52 -4.011 -0.587 -8.520
408 H ALA 53 H ALA 53 -1.093 -1.928 -5.155
409 HA ALA 53 HA ALA 53 1.004 -3.592 -4.036
410 1HB ALA 53 1HB ALA 53 -1.429 -2.260 -2.840
411 2HB ALA 53 2HB ALA 53 0.257 -1.752 -2.696
412 3HB ALA 53 3HB ALA 53 -0.298 -3.218 -1.879
413 H TYR 54 H TYR 54 0.718 -5.535 -2.856
414 HA TYR 54 HA TYR 54 -1.866 -6.907 -2.972
415 1HB TYR 54 2HB TYR 54 0.549 -7.824 -4.530
416 2HB TYR 54 1HB TYR 54 -0.712 -8.939 -4.023
417 HD1 TYR 54 1HD TYR 54 0.227 -6.316 -6.313
418 HD2 TYR 54 2HD TYR 54 -3.084 -8.569 -4.773
419 HE1 TYR 54 1HE TYR 54 -1.134 -5.599 -8.221
420 HE2 TYR 54 2HE TYR 54 -4.470 -7.819 -6.712
421 HH TYR 54 HH TYR 54 -3.279 -6.631 -9.464
422 H CYS 55 H CYS 55 -2.003 -8.409 -1.267
423 HA CYS 55 HA CYS 55 -0.113 -8.188 0.828
424 1HB CYS 55 2HB CYS 55 -2.048 -10.444 0.202
425 2HB CYS 55 1HB CYS 55 -1.128 -10.335 1.699
426 H GLU 56 H GLU 56 1.034 -10.348 1.653
427 HA GLU 56 HA GLU 56 3.114 -11.018 -0.202
428 1HB GLU 56 2HB GLU 56 3.233 -11.204 2.332
429 2HB GLU 56 1HB GLU 56 2.260 -12.660 2.195
430 1HG GLU 56 2HG GLU 56 3.938 -13.809 0.977
431 2HG GLU 56 1HG GLU 56 4.823 -12.324 0.636
432 H THR 57 H THR 57 0.095 -12.599 0.695
433 HA THR 57 HA THR 57 0.677 -14.959 -0.943
434 HB THR 57 HB THR 57 -1.778 -14.144 0.624
435 HG1 THR 57 1HG THR 57 0.238 -16.086 1.077
436 1HG2 THR 57 1HG2 THR 57 -2.543 -15.586 -1.113
437 2HG2 THR 57 2HG2 THR 57 -2.340 -16.618 0.303
438 3HG2 THR 57 3HG2 THR 57 -1.124 -16.623 -0.974
439 H HIS 58 H HIS 58 -1.605 -12.209 -1.122
440 HA HIS 58 HA HIS 58 -2.827 -13.179 -3.517
441 1HB HIS 58 2HB HIS 58 -2.618 -10.366 -2.419
442 2HB HIS 58 1HB HIS 58 -3.673 -10.854 -3.745
443 HD2 HIS 58 2HD HIS 58 -4.815 -13.668 -2.454
444 HE1 HIS 58 1HE HIS 58 -6.114 -11.280 0.775
445 HE2 HIS 58 2HE HIS 58 -6.376 -13.529 -0.373
446 H TYR 59 H TYR 59 -0.191 -10.883 -2.890
447 HA TYR 59 HA TYR 59 0.399 -10.114 -5.497
448 1HB TYR 59 2HB TYR 59 1.676 -9.254 -3.629
449 2HB TYR 59 1HB TYR 59 2.225 -10.859 -3.194
450 HD1 TYR 59 1HD TYR 59 1.950 -9.499 -6.640
451 HD2 TYR 59 2HD TYR 59 4.587 -10.608 -3.436
452 HE1 TYR 59 1HE TYR 59 3.871 -9.275 -8.139
453 HE2 TYR 59 2HE TYR 59 6.527 -10.364 -4.956
454 HH TYR 59 HH TYR 59 6.371 -10.389 -8.142
455 H ASN 60 H ASN 60 1.674 -12.835 -3.671
456 HA ASN 60 HA ASN 60 2.916 -14.063 -5.912
457 1HB ASN 60 2HB ASN 60 2.114 -15.068 -3.187
458 2HB ASN 60 1HB ASN 60 2.817 -16.154 -4.386
459 1HD2 ASN 60 1HD2 ASN 60 3.507 -13.455 -2.229
460 2HD2 ASN 60 2HD2 ASN 60 5.183 -13.434 -2.490
461 H GLN 61 H GLN 61 -0.225 -14.640 -4.315
462 HA GLN 61 HA GLN 61 -1.057 -16.799 -5.978
463 1HB GLN 61 2HB GLN 61 -2.306 -15.678 -3.955
464 2HB GLN 61 1HB GLN 61 -2.990 -14.621 -5.192
465 1HG GLN 61 2HG GLN 61 -4.526 -16.438 -4.960
466 2HG GLN 61 1HG GLN 61 -3.639 -16.742 -6.454
467 1HE2 GLN 61 1HE2 GLN 61 -2.535 -17.275 -3.075
468 2HE2 GLN 61 2HE2 GLN 61 -2.292 -18.944 -3.257
469 H LEU 62 H LEU 62 -0.901 -13.367 -6.450
470 HA LEU 62 HA LEU 62 -2.249 -13.383 -9.036
471 1HB LEU 62 2HB LEU 62 -0.829 -11.375 -7.330
472 2HB LEU 62 1HB LEU 62 -0.970 -11.026 -9.045
473 HG LEU 62 HG LEU 62 -3.532 -11.791 -8.502
474 1HD1 LEU 62 1HD1 LEU 62 -2.416 -10.534 -5.989
475 2HD1 LEU 62 2HD1 LEU 62 -3.291 -12.061 -6.136
476 3HD1 LEU 62 3HD1 LEU 62 -4.132 -10.534 -6.383
477 1HD2 LEU 62 1HD2 LEU 62 -4.001 -9.327 -8.323
478 2HD2 LEU 62 2HD2 LEU 62 -2.965 -9.769 -9.680
479 3HD2 LEU 62 3HD2 LEU 62 -2.259 -9.066 -8.223
480 H PHE 63 H PHE 63 1.065 -13.464 -7.853
481 HA PHE 63 HA PHE 63 1.987 -14.452 -10.455
482 1HB PHE 63 2HB PHE 63 2.572 -11.688 -9.463
483 2HB PHE 63 1HB PHE 63 3.841 -12.551 -10.327
484 HD1 PHE 63 1HD PHE 63 0.602 -10.913 -10.570
485 HD2 PHE 63 2HD PHE 63 3.467 -13.321 -12.669
486 HE1 PHE 63 1HE PHE 63 -0.524 -10.377 -12.720
487 HE2 PHE 63 2HE PHE 63 2.348 -12.787 -14.817
488 HZ PHE 63 HZ PHE 63 0.352 -11.315 -14.842
489 H GLY 64 H GLY 64 3.825 -12.720 -8.002
490 1HA GLY 64 2HA GLY 64 5.240 -13.583 -6.291
491 2HA GLY 64 1HA GLY 64 4.761 -15.215 -6.758
492 H ASP 65 H ASP 65 5.414 -13.992 -9.620
493 HA ASP 65 HA ASP 65 7.184 -14.490 -11.106
494 1HB ASP 65 2HB ASP 65 9.126 -13.109 -10.709
495 2HB ASP 65 1HB ASP 65 7.710 -12.214 -10.155
496 H VAL 66 H VAL 66 6.714 -16.722 -9.543
497 HA VAL 66 HA VAL 66 9.165 -17.605 -8.230
498 HB VAL 66 HB VAL 66 7.001 -18.484 -7.497
499 1HG1 VAL 66 1HG1 VAL 66 6.833 -19.722 -10.262
500 2HG1 VAL 66 2HG1 VAL 66 5.892 -18.330 -9.727
501 3HG1 VAL 66 3HG1 VAL 66 5.654 -19.901 -8.963
502 1HG2 VAL 66 1HG2 VAL 66 9.128 -19.915 -7.479
503 2HG2 VAL 66 2HG2 VAL 66 8.475 -20.722 -8.905
504 3HG2 VAL 66 3HG2 VAL 66 7.603 -20.794 -7.373
Start of MODEL 17
1 1H GLY 1 1HT GLY 1 3.193 26.025 4.022
2 2H GLY 1 2HT GLY 1 4.644 26.360 4.840
3 3H GLY 1 3HT GLY 1 4.536 25.011 3.813
4 1HA GLY 1 2HA GLY 1 4.490 27.872 3.027
5 2HA GLY 1 1HA GLY 1 5.743 26.687 2.657
6 H SER 2 H SER 2 5.151 24.888 1.224
7 HA SER 2 HA SER 2 2.620 24.795 -0.138
8 1HB SER 2 2HB SER 2 3.147 26.778 -1.291
9 2HB SER 2 1HB SER 2 4.858 26.374 -1.393
10 HG SER 2 HG SER 2 3.555 24.429 -2.578
11 H MET 3 H MET 3 5.400 23.448 0.818
12 HA MET 3 HA MET 3 5.054 21.144 -0.990
13 1HB MET 3 2HB MET 3 7.667 22.670 -0.767
14 2HB MET 3 1HB MET 3 7.516 21.066 -1.484
15 1HG MET 3 2HG MET 3 5.733 22.085 -3.017
16 2HG MET 3 1HG MET 3 6.296 23.657 -2.451
17 1HE MET 3 1HE MET 3 7.461 24.836 -4.339
18 2HE MET 3 2HE MET 3 6.377 23.723 -5.169
19 3HE MET 3 3HE MET 3 8.028 23.933 -5.750
20 H GLY 4 H GLY 4 4.299 20.784 1.436
21 1HA GLY 4 2HA GLY 4 6.368 19.116 2.665
22 2HA GLY 4 1HA GLY 4 5.900 20.506 3.644
23 H VAL 5 H VAL 5 3.825 18.553 1.524
24 HA VAL 5 HA VAL 5 2.559 17.257 3.837
25 HB VAL 5 HB VAL 5 1.348 19.559 2.390
26 1HG1 VAL 5 1HG1 VAL 5 -0.937 18.582 3.003
27 2HG1 VAL 5 2HG1 VAL 5 -0.128 17.015 3.080
28 3HG1 VAL 5 3HG1 VAL 5 -0.167 17.920 1.562
29 1HG2 VAL 5 1HG2 VAL 5 1.069 18.290 5.130
30 2HG2 VAL 5 2HG2 VAL 5 0.123 19.685 4.606
31 3HG2 VAL 5 3HG2 VAL 5 1.881 19.808 4.734
32 HA PRO 6 HA PRO 6 2.223 14.402 0.414
33 1HB PRO 6 2HB PRO 6 1.617 12.268 2.148
34 2HB PRO 6 1HB PRO 6 3.234 12.723 1.604
35 1HG PRO 6 2HG PRO 6 2.126 12.993 4.266
36 2HG PRO 6 1HG PRO 6 3.759 13.367 3.713
37 1HD PRO 6 2HD PRO 6 1.558 15.200 4.288
38 2HD PRO 6 1HD PRO 6 3.255 15.567 3.969
39 H ILE 7 H ILE 7 0.511 12.945 -0.340
40 HA ILE 7 HA ILE 7 -2.134 13.471 0.920
41 HB ILE 7 HB ILE 7 -1.319 13.971 -1.939
42 1HG1 ILE 7 2HG1 ILE 7 -2.953 15.534 0.062
43 2HG1 ILE 7 1HG1 ILE 7 -1.226 15.751 -0.156
44 1HG2 ILE 7 1HG2 ILE 7 -4.028 13.329 -0.775
45 2HG2 ILE 7 2HG2 ILE 7 -3.268 12.651 -2.214
46 3HG2 ILE 7 3HG2 ILE 7 -3.863 14.311 -2.232
47 1HD1 ILE 7 1HD1 ILE 7 -2.792 17.359 -1.413
48 2HD1 ILE 7 2HD1 ILE 7 -3.165 15.985 -2.456
49 3HD1 ILE 7 3HD1 ILE 7 -1.510 16.592 -2.353
50 H CYS 8 H CYS 8 -3.051 11.617 1.345
51 HA CYS 8 HA CYS 8 -2.049 9.118 0.470
52 1HB CYS 8 2HB CYS 8 -3.294 9.279 2.540
53 2HB CYS 8 1HB CYS 8 -4.724 9.828 1.678
54 H GLY 9 H GLY 9 -2.167 8.312 -1.496
55 1HA GLY 9 2HA GLY 9 -3.876 9.298 -3.544
56 2HA GLY 9 1HA GLY 9 -2.980 7.783 -3.630
57 H ALA 10 H ALA 10 -4.644 7.532 -0.852
58 HA ALA 10 HA ALA 10 -6.695 5.838 -2.109
59 1HB ALA 10 1HB ALA 10 -6.598 6.266 0.848
60 2HB ALA 10 2HB ALA 10 -5.239 5.436 0.098
61 3HB ALA 10 3HB ALA 10 -6.865 4.780 -0.063
62 H CYS 11 H CYS 11 -6.453 8.852 -0.320
63 HA CYS 11 HA CYS 11 -9.376 9.297 -0.805
64 1HB CYS 11 2HB CYS 11 -8.171 10.817 1.417
65 2HB CYS 11 1HB CYS 11 -9.703 9.954 1.356
66 H ARG 12 H ARG 12 -6.325 10.201 -1.693
67 HA ARG 12 HA ARG 12 -5.421 12.165 -2.611
68 1HB ARG 12 2HB ARG 12 -8.360 12.734 -3.150
69 2HB ARG 12 1HB ARG 12 -6.995 13.503 -3.958
70 1HG ARG 12 2HG ARG 12 -7.225 10.504 -3.985
71 2HG ARG 12 1HG ARG 12 -8.201 11.458 -5.100
72 1HD ARG 12 2HD ARG 12 -5.182 11.592 -4.841
73 2HD ARG 12 1HD ARG 12 -6.070 10.814 -6.150
74 HE ARG 12 HE ARG 12 -7.033 13.412 -6.152
75 1HH1 ARG 12 1HH2 ARG 12 -3.944 11.885 -6.252
76 2HH1 ARG 12 2HH2 ARG 12 -3.206 13.139 -7.193
77 1HH2 ARG 12 1HH1 ARG 12 -6.088 15.059 -7.380
78 2HH2 ARG 12 2HH1 ARG 12 -4.421 14.936 -7.831
79 H ARG 13 H ARG 13 -6.066 12.076 0.187
80 HA ARG 13 HA ARG 13 -6.800 14.918 0.749
81 1HB ARG 13 2HB ARG 13 -8.269 13.067 1.690
82 2HB ARG 13 1HB ARG 13 -6.888 12.571 2.665
83 1HG ARG 13 2HG ARG 13 -6.818 14.786 3.715
84 2HG ARG 13 1HG ARG 13 -8.171 15.316 2.714
85 1HD ARG 13 2HD ARG 13 -8.194 13.154 4.827
86 2HD ARG 13 1HD ARG 13 -9.064 14.687 4.857
87 HE ARG 13 HE ARG 13 -9.988 13.449 2.557
88 1HH1 ARG 13 1HH2 ARG 13 -9.676 12.622 5.890
89 2HH1 ARG 13 2HH2 ARG 13 -11.057 11.578 5.898
90 1HH2 ARG 13 1HH1 ARG 13 -11.794 12.088 2.548
91 2HH2 ARG 13 2HH1 ARG 13 -12.256 11.275 4.006
92 HA PRO 14 HA PRO 14 -2.556 15.494 1.827
93 1HB PRO 14 2HB PRO 14 -3.298 17.256 4.025
94 2HB PRO 14 1HB PRO 14 -2.496 17.642 2.504
95 1HG PRO 14 2HG PRO 14 -5.175 18.256 3.184
96 2HG PRO 14 1HG PRO 14 -4.407 18.446 1.599
97 1HD PRO 14 2HD PRO 14 -6.402 16.501 2.385
98 2HD PRO 14 1HD PRO 14 -5.689 16.747 0.785
99 H ILE 15 H ILE 15 -1.560 13.830 2.820
100 HA ILE 15 HA ILE 15 -2.640 12.547 5.194
101 HB ILE 15 HB ILE 15 0.104 12.338 3.907
102 1HG1 ILE 15 2HG1 ILE 15 -1.856 10.107 3.916
103 2HG1 ILE 15 1HG1 ILE 15 -2.262 11.484 2.893
104 1HG2 ILE 15 1HG2 ILE 15 -0.028 10.096 5.291
105 2HG2 ILE 15 2HG2 ILE 15 -1.150 11.014 6.294
106 3HG2 ILE 15 3HG2 ILE 15 0.503 11.582 6.085
107 1HD1 ILE 15 1HD1 ILE 15 -0.340 11.232 1.574
108 2HD1 ILE 15 2HD1 ILE 15 -0.799 9.560 1.893
109 3HD1 ILE 15 3HD1 ILE 15 0.508 10.310 2.810
110 H GLU 16 H GLU 16 -1.447 12.512 7.334
111 HA GLU 16 HA GLU 16 0.488 14.604 7.874
112 1HB GLU 16 2HB GLU 16 -1.177 15.848 9.451
113 2HB GLU 16 1HB GLU 16 -1.220 16.203 7.723
114 1HG GLU 16 2HG GLU 16 -3.147 14.868 7.379
115 2HG GLU 16 1HG GLU 16 -2.965 14.059 8.937
116 H GLY 17 H GLY 17 1.136 12.359 8.661
117 1HA GLY 17 2HA GLY 17 1.370 12.255 11.423
118 2HA GLY 17 1HA GLY 17 -0.087 11.324 11.079
119 H ARG 18 H ARG 18 0.330 9.910 8.987
120 HA ARG 18 HA ARG 18 3.013 8.633 9.106
121 1HB ARG 18 2HB ARG 18 0.560 7.525 10.169
122 2HB ARG 18 1HB ARG 18 1.106 6.551 8.810
123 1HG ARG 18 2HG ARG 18 3.332 6.331 9.833
124 2HG ARG 18 1HG ARG 18 2.821 7.351 11.179
125 1HD ARG 18 2HD ARG 18 1.300 5.725 11.985
126 2HD ARG 18 1HD ARG 18 1.326 4.826 10.468
127 HE ARG 18 HE ARG 18 3.949 4.707 11.350
128 1HH1 ARG 18 1HH2 ARG 18 0.836 4.017 12.662
129 2HH1 ARG 18 2HH2 ARG 18 1.405 2.745 13.690
130 1HH2 ARG 18 1HH1 ARG 18 4.710 3.050 12.686
131 2HH2 ARG 18 2HH1 ARG 18 3.598 2.198 13.705
132 H VAL 19 H VAL 19 3.710 8.135 7.040
133 HA VAL 19 HA VAL 19 1.647 8.180 4.862
134 HB VAL 19 HB VAL 19 4.466 9.289 4.713
135 1HG1 VAL 19 1HG1 VAL 19 2.289 8.799 2.735
136 2HG1 VAL 19 2HG1 VAL 19 4.036 8.837 2.497
137 3HG1 VAL 19 3HG1 VAL 19 3.126 10.346 2.609
138 1HG2 VAL 19 1HG2 VAL 19 2.581 10.525 6.094
139 2HG2 VAL 19 2HG2 VAL 19 1.972 10.934 4.493
140 3HG2 VAL 19 3HG2 VAL 19 3.592 11.434 4.971
141 H VAL 20 H VAL 20 2.214 6.991 2.954
142 HA VAL 20 HA VAL 20 4.377 4.965 3.293
143 HB VAL 20 HB VAL 20 1.474 4.504 2.620
144 1HG1 VAL 20 1HG1 VAL 20 2.454 2.109 2.028
145 2HG1 VAL 20 2HG1 VAL 20 3.894 3.041 1.618
146 3HG1 VAL 20 3HG1 VAL 20 2.368 3.369 0.797
147 1HG2 VAL 20 1HG2 VAL 20 1.751 2.659 4.217
148 2HG2 VAL 20 2HG2 VAL 20 2.262 4.185 4.935
149 3HG2 VAL 20 3HG2 VAL 20 3.469 3.036 4.366
150 H ASN 21 H ASN 21 5.736 5.331 1.606
151 HA ASN 21 HA ASN 21 4.729 6.738 -0.766
152 1HB ASN 21 2HB ASN 21 7.476 5.693 -0.065
153 2HB ASN 21 1HB ASN 21 7.107 6.649 -1.497
154 1HD2 ASN 21 1HD2 ASN 21 5.740 7.107 1.785
155 2HD2 ASN 21 2HD2 ASN 21 6.384 8.663 2.005
156 H ALA 22 H ALA 22 3.560 5.455 -2.120
157 HA ALA 22 HA ALA 22 4.908 3.044 -3.218
158 1HB ALA 22 1HB ALA 22 2.135 3.119 -2.004
159 2HB ALA 22 2HB ALA 22 3.481 2.078 -1.534
160 3HB ALA 22 3HB ALA 22 2.678 1.837 -3.086
161 H MET 23 H MET 23 3.992 2.443 -5.332
162 HA MET 23 HA MET 23 3.190 3.030 -7.458
163 1HB MET 23 2HB MET 23 1.220 4.804 -6.010
164 2HB MET 23 1HB MET 23 1.005 3.984 -7.554
165 1HG MET 23 2HG MET 23 1.438 2.440 -4.991
166 2HG MET 23 1HG MET 23 -0.166 2.944 -5.512
167 1HE MET 23 1HE MET 23 2.058 0.273 -5.250
168 2HE MET 23 2HE MET 23 1.357 -0.930 -6.332
169 3HE MET 23 3HE MET 23 0.344 -0.147 -5.119
170 H GLY 24 H GLY 24 5.042 4.740 -5.778
171 1HA GLY 24 2HA GLY 24 6.325 6.673 -6.217
172 2HA GLY 24 1HA GLY 24 5.408 6.856 -7.715
173 H LYS 25 H LYS 25 3.454 6.414 -5.014
174 HA LYS 25 HA LYS 25 2.881 9.351 -4.830
175 1HB LYS 25 2HB LYS 25 0.995 6.994 -4.517
176 2HB LYS 25 1HB LYS 25 0.547 8.687 -4.348
177 1HG LYS 25 2HG LYS 25 1.878 8.486 -6.845
178 2HG LYS 25 1HG LYS 25 0.782 7.106 -6.764
179 1HD LYS 25 2HD LYS 25 -1.048 8.705 -6.078
180 2HD LYS 25 1HD LYS 25 0.065 10.029 -6.421
181 1HE LYS 25 2HE LYS 25 -0.635 7.892 -8.448
182 2HE LYS 25 1HE LYS 25 -1.493 9.428 -8.330
183 1HZ LYS 25 1HZ LYS 25 1.168 10.090 -8.323
184 2HZ LYS 25 2HZ LYS 25 0.084 10.264 -9.620
185 3HZ LYS 25 3HZ LYS 25 1.044 8.868 -9.492
186 H GLN 26 H GLN 26 1.051 9.005 -2.696
187 HA GLN 26 HA GLN 26 2.731 7.977 -0.447
188 1HB GLN 26 2HB GLN 26 1.449 10.690 -0.798
189 2HB GLN 26 1HB GLN 26 1.785 10.053 0.806
190 1HG GLN 26 2HG GLN 26 4.057 10.299 0.576
191 2HG GLN 26 1HG GLN 26 4.034 9.816 -1.115
192 1HE2 GLN 26 1HE2 GLN 26 1.717 12.230 -0.793
193 2HE2 GLN 26 2HE2 GLN 26 2.672 13.565 -1.212
194 H TRP 27 H TRP 27 1.397 7.025 1.230
195 HA TRP 27 HA TRP 27 -1.550 7.196 0.795
196 1HB TRP 27 2HB TRP 27 -0.038 4.590 1.084
197 2HB TRP 27 1HB TRP 27 -1.773 4.777 0.842
198 HD1 TRP 27 HD TRP 27 1.570 5.360 -0.974
199 HE1 TRP 27 1HE TRP 27 1.119 5.387 -3.513
200 HE3 TRP 27 3HE TRP 27 -3.500 5.035 -0.944
201 HZ2 TRP 27 2HZ TRP 27 -1.129 5.287 -5.295
202 HZ3 TRP 27 3HZ TRP 27 -4.787 5.000 -3.050
203 HH2 TRP 27 HH TRP 27 -3.608 5.126 -5.232
204 H HIS 28 H HIS 28 -2.746 7.060 2.711
205 HA HIS 28 HA HIS 28 -1.456 7.539 5.207
206 1HB HIS 28 2HB HIS 28 -4.164 6.368 4.508
207 2HB HIS 28 1HB HIS 28 -3.648 6.560 6.181
208 HD2 HIS 28 2HD HIS 28 -2.739 9.462 6.602
209 HE1 HIS 28 1HE HIS 28 -5.728 10.811 3.940
210 HE2 HIS 28 2HE HIS 28 -4.092 11.528 5.747
211 H VAL 29 H VAL 29 -0.681 6.007 6.767
212 HA VAL 29 HA VAL 29 0.213 3.482 5.795
213 HB VAL 29 HB VAL 29 -0.006 4.694 8.542
214 1HG1 VAL 29 1HG1 VAL 29 1.369 2.634 9.255
215 2HG1 VAL 29 2HG1 VAL 29 0.734 1.866 7.799
216 3HG1 VAL 29 3HG1 VAL 29 -0.371 2.417 9.059
217 1HG2 VAL 29 1HG2 VAL 29 2.401 3.683 7.015
218 2HG2 VAL 29 2HG2 VAL 29 2.381 4.793 8.380
219 3HG2 VAL 29 3HG2 VAL 29 1.774 5.321 6.808
220 H GLU 30 H GLU 30 -2.816 4.486 7.058
221 HA GLU 30 HA GLU 30 -3.614 1.735 7.775
222 1HB GLU 30 2HB GLU 30 -5.340 4.218 7.774
223 2HB GLU 30 1HB GLU 30 -5.624 2.710 8.645
224 1HG GLU 30 2HG GLU 30 -3.414 3.151 9.834
225 2HG GLU 30 1HG GLU 30 -3.485 4.779 9.165
226 H HIS 31 H HIS 31 -3.860 3.933 5.109
227 HA HIS 31 HA HIS 31 -6.080 2.339 3.926
228 1HB HIS 31 2HB HIS 31 -4.862 4.897 2.862
229 2HB HIS 31 1HB HIS 31 -6.422 4.185 2.439
230 HD2 HIS 31 2HD HIS 31 -6.882 3.583 5.897
231 HE1 HIS 31 1HE HIS 31 -7.405 7.766 5.825
232 HE2 HIS 31 2HE HIS 31 -7.798 5.658 7.177
233 H PHE 32 H PHE 32 -2.714 2.381 3.842
234 HA PHE 32 HA PHE 32 -2.530 1.680 0.989
235 1HB PHE 32 2HB PHE 32 -0.613 2.771 2.302
236 2HB PHE 32 1HB PHE 32 -0.391 1.202 3.080
237 HD1 PHE 32 1HD PHE 32 1.187 -0.214 2.101
238 HD2 PHE 32 2HD PHE 32 -0.995 2.524 -0.392
239 HE1 PHE 32 1HE PHE 32 2.401 -1.045 0.106
240 HE2 PHE 32 2HE PHE 32 0.220 1.687 -2.375
241 HZ PHE 32 HZ PHE 32 1.920 -0.099 -2.129
242 H VAL 33 H VAL 33 -3.541 -0.193 0.518
243 HA VAL 33 HA VAL 33 -2.950 -2.569 2.231
244 HB VAL 33 HB VAL 33 -5.263 -3.288 1.912
245 1HG1 VAL 33 1HG1 VAL 33 -5.586 -2.150 3.831
246 2HG1 VAL 33 2HG1 VAL 33 -6.201 -0.820 2.857
247 3HG1 VAL 33 3HG1 VAL 33 -4.505 -0.852 3.331
248 1HG2 VAL 33 1HG2 VAL 33 -5.471 -0.707 0.338
249 2HG2 VAL 33 2HG2 VAL 33 -6.870 -1.643 0.863
250 3HG2 VAL 33 3HG2 VAL 33 -5.713 -2.347 -0.268
251 H CYS 34 H CYS 34 -3.726 -4.586 1.084
252 HA CYS 34 HA CYS 34 -2.299 -4.952 -1.365
253 1HB CYS 34 2HB CYS 34 -2.607 -6.869 -0.067
254 2HB CYS 34 1HB CYS 34 -4.309 -6.542 0.208
255 H ALA 35 H ALA 35 -3.127 -5.221 -3.503
256 HA ALA 35 HA ALA 35 -5.628 -3.715 -3.993
257 1HB ALA 35 1HB ALA 35 -3.384 -3.372 -5.218
258 2HB ALA 35 2HB ALA 35 -4.844 -3.466 -6.209
259 3HB ALA 35 3HB ALA 35 -3.778 -4.863 -6.076
260 H LYS 36 H LYS 36 -5.577 -6.534 -2.916
261 HA LYS 36 HA LYS 36 -7.368 -7.726 -4.992
262 1HB LYS 36 2HB LYS 36 -5.176 -8.883 -5.092
263 2HB LYS 36 1HB LYS 36 -5.294 -9.247 -3.376
264 1HG LYS 36 2HG LYS 36 -5.999 -11.183 -4.695
265 2HG LYS 36 1HG LYS 36 -7.375 -10.527 -3.812
266 1HD LYS 36 2HD LYS 36 -8.356 -9.632 -5.738
267 2HD LYS 36 1HD LYS 36 -6.824 -9.567 -6.609
268 1HE LYS 36 2HE LYS 36 -8.392 -11.388 -7.390
269 2HE LYS 36 1HE LYS 36 -6.799 -11.961 -6.892
270 1HZ LYS 36 1HZ LYS 36 -8.527 -13.337 -5.951
271 2HZ LYS 36 2HZ LYS 36 -9.263 -11.983 -5.233
272 3HZ LYS 36 3HZ LYS 36 -7.727 -12.494 -4.716
273 H CYS 37 H CYS 37 -6.459 -7.418 -1.603
274 HA CYS 37 HA CYS 37 -9.171 -8.470 -0.860
275 1HB CYS 37 2HB CYS 37 -8.164 -9.491 1.125
276 2HB CYS 37 1HB CYS 37 -7.352 -10.079 -0.325
277 H GLU 38 H GLU 38 -6.808 -5.983 -0.556
278 HA GLU 38 HA GLU 38 -6.962 -3.915 0.474
279 1HB GLU 38 2HB GLU 38 -9.619 -4.670 1.676
280 2HB GLU 38 1HB GLU 38 -9.037 -3.079 1.194
281 1HG GLU 38 2HG GLU 38 -8.922 -4.233 -1.209
282 2HG GLU 38 1HG GLU 38 -10.155 -5.278 -0.502
283 H LYS 39 H LYS 39 -5.497 -5.852 1.705
284 HA LYS 39 HA LYS 39 -6.235 -5.709 4.585
285 1HB LYS 39 2HB LYS 39 -5.534 -7.909 3.427
286 2HB LYS 39 1HB LYS 39 -3.902 -7.242 3.435
287 1HG LYS 39 2HG LYS 39 -5.375 -7.075 6.014
288 2HG LYS 39 1HG LYS 39 -4.941 -8.692 5.492
289 1HD LYS 39 2HD LYS 39 -2.877 -6.508 5.401
290 2HD LYS 39 1HD LYS 39 -3.238 -7.305 6.931
291 1HE LYS 39 2HE LYS 39 -2.558 -9.424 6.122
292 2HE LYS 39 1HE LYS 39 -2.629 -8.899 4.440
293 1HZ LYS 39 1HZ LYS 39 -0.692 -7.685 4.647
294 2HZ LYS 39 2HZ LYS 39 -0.356 -9.055 5.594
295 3HZ LYS 39 3HZ LYS 39 -0.793 -7.591 6.338
296 HA PRO 40 HA PRO 40 -3.324 -2.268 4.374
297 1HB PRO 40 2HB PRO 40 -3.785 -1.606 7.065
298 2HB PRO 40 1HB PRO 40 -4.543 -0.855 5.678
299 1HG PRO 40 2HG PRO 40 -5.704 -2.654 7.626
300 2HG PRO 40 1HG PRO 40 -6.522 -1.783 6.333
301 1HD PRO 40 2HD PRO 40 -5.911 -4.592 6.452
302 2HD PRO 40 1HD PRO 40 -6.684 -3.719 5.120
303 H PHE 41 H PHE 41 -1.226 -2.170 4.852
304 HA PHE 41 HA PHE 41 -0.117 -4.186 6.750
305 1HB PHE 41 2HB PHE 41 1.654 -2.401 5.127
306 2HB PHE 41 1HB PHE 41 1.884 -4.084 5.591
307 HD1 PHE 41 1HD PHE 41 -0.052 -1.834 3.351
308 HD2 PHE 41 2HD PHE 41 1.175 -5.857 4.200
309 HE1 PHE 41 1HE PHE 41 -0.929 -2.567 1.146
310 HE2 PHE 41 2HE PHE 41 0.296 -6.588 2.009
311 HZ PHE 41 HZ PHE 41 -0.756 -4.952 0.476
312 H LEU 42 H LEU 42 -1.313 -2.395 8.257
313 HA LEU 42 HA LEU 42 -0.338 0.091 8.886
314 1HB LEU 42 2HB LEU 42 -1.195 -2.207 10.612
315 2HB LEU 42 1HB LEU 42 -0.508 -0.785 11.391
316 HG LEU 42 HG LEU 42 -2.180 0.645 10.262
317 1HD1 LEU 42 1HD1 LEU 42 -4.055 -0.568 9.064
318 2HD1 LEU 42 2HD1 LEU 42 -3.004 -1.989 9.061
319 3HD1 LEU 42 3HD1 LEU 42 -2.503 -0.516 8.225
320 1HD2 LEU 42 1HD2 LEU 42 -3.182 -1.746 11.813
321 2HD2 LEU 42 2HD2 LEU 42 -4.281 -0.470 11.285
322 3HD2 LEU 42 3HD2 LEU 42 -2.952 -0.093 12.383
323 H GLY 43 H GLY 43 1.113 -2.921 10.127
324 1HA GLY 43 2HA GLY 43 3.767 -1.546 10.123
325 2HA GLY 43 1HA GLY 43 3.240 -2.449 11.542
326 H HIS 44 H HIS 44 2.450 -3.495 8.301
327 HA HIS 44 HA HIS 44 4.295 -5.832 8.686
328 1HB HIS 44 2HB HIS 44 1.535 -5.591 7.515
329 2HB HIS 44 1HB HIS 44 2.602 -6.884 6.971
330 HD1 HIS 44 1HD HIS 44 1.479 -8.840 8.148
331 HD2 HIS 44 2HD HIS 44 2.395 -5.715 10.748
332 HE1 HIS 44 1HE HIS 44 1.067 -9.713 10.490
333 H ARG 45 H ARG 45 4.457 -6.909 6.273
334 HA ARG 45 HA ARG 45 5.768 -4.792 4.639
335 1HB ARG 45 2HB ARG 45 7.244 -6.613 5.087
336 2HB ARG 45 1HB ARG 45 5.997 -7.809 4.739
337 1HG ARG 45 2HG ARG 45 6.040 -7.276 2.383
338 2HG ARG 45 1HG ARG 45 7.097 -5.893 2.663
339 1HD ARG 45 2HD ARG 45 8.777 -7.564 3.638
340 2HD ARG 45 1HD ARG 45 7.760 -8.828 2.947
341 HE ARG 45 HE ARG 45 8.211 -7.109 0.822
342 1HH1 ARG 45 1HH2 ARG 45 10.139 -8.785 3.137
343 2HH1 ARG 45 2HH2 ARG 45 11.491 -8.973 2.072
344 1HH2 ARG 45 1HH1 ARG 45 9.967 -7.345 -0.582
345 2HH2 ARG 45 2HH1 ARG 45 11.394 -8.158 -0.033
346 H HIS 46 H HIS 46 5.230 -4.528 2.419
347 HA HIS 46 HA HIS 46 2.712 -5.910 1.560
348 1HB HIS 46 2HB HIS 46 2.415 -3.821 0.096
349 2HB HIS 46 1HB HIS 46 2.111 -3.640 1.817
350 HD1 HIS 46 1HD HIS 46 3.938 -2.371 3.230
351 HD2 HIS 46 2HD HIS 46 4.673 -2.434 -0.875
352 HE1 HIS 46 1HE HIS 46 5.765 -0.670 2.804
353 H TYR 47 H TYR 47 2.500 -5.898 -0.868
354 HA TYR 47 HA TYR 47 5.149 -6.220 -2.211
355 1HB TYR 47 2HB TYR 47 2.798 -8.096 -2.530
356 2HB TYR 47 1HB TYR 47 4.439 -8.337 -3.099
357 HD1 TYR 47 1HD TYR 47 5.972 -9.510 -1.735
358 HD2 TYR 47 2HD TYR 47 2.525 -7.682 0.063
359 HE1 TYR 47 1HE TYR 47 6.614 -10.430 0.478
360 HE2 TYR 47 2HE TYR 47 3.183 -8.599 2.262
361 HH TYR 47 HH TYR 47 6.261 -10.270 2.704
362 H GLU 48 H GLU 48 5.192 -5.377 -4.286
363 HA GLU 48 HA GLU 48 2.649 -4.116 -5.243
364 1HB GLU 48 2HB GLU 48 5.535 -3.335 -5.362
365 2HB GLU 48 1HB GLU 48 4.457 -2.773 -6.640
366 1HG GLU 48 2HG GLU 48 2.946 -1.813 -4.956
367 2HG GLU 48 1HG GLU 48 4.009 -2.376 -3.668
368 H ARG 49 H ARG 49 1.963 -4.369 -7.324
369 HA ARG 49 HA ARG 49 3.646 -5.820 -9.260
370 1HB ARG 49 2HB ARG 49 2.462 -7.629 -8.068
371 2HB ARG 49 1HB ARG 49 0.920 -6.865 -8.456
372 1HG ARG 49 2HG ARG 49 1.202 -7.191 -10.787
373 2HG ARG 49 1HG ARG 49 2.914 -7.557 -10.608
374 1HD ARG 49 2HD ARG 49 1.685 -9.475 -9.026
375 2HD ARG 49 1HD ARG 49 0.601 -9.333 -10.402
376 HE ARG 49 HE ARG 49 3.037 -10.729 -10.451
377 1HH1 ARG 49 1HH2 ARG 49 1.590 -8.100 -12.149
378 2HH1 ARG 49 2HH2 ARG 49 2.533 -8.342 -13.580
379 1HH2 ARG 49 1HH1 ARG 49 4.263 -11.057 -12.305
380 2HH2 ARG 49 2HH1 ARG 49 4.041 -10.014 -13.670
381 H LYS 50 H LYS 50 3.223 -5.173 -11.316
382 HA LYS 50 HA LYS 50 2.357 -3.838 -13.023
383 1HB LYS 50 2HB LYS 50 -0.092 -5.020 -11.716
384 2HB LYS 50 1HB LYS 50 -0.245 -3.918 -13.085
385 1HG LYS 50 2HG LYS 50 1.367 -5.424 -14.341
386 2HG LYS 50 1HG LYS 50 1.201 -6.574 -13.016
387 1HD LYS 50 2HD LYS 50 -1.308 -6.473 -13.382
388 2HD LYS 50 1HD LYS 50 -0.977 -5.568 -14.859
389 1HE LYS 50 2HE LYS 50 -0.008 -8.365 -14.206
390 2HE LYS 50 1HE LYS 50 -1.212 -7.927 -15.417
391 1HZ LYS 50 1HZ LYS 50 1.681 -7.684 -15.504
392 2HZ LYS 50 2HZ LYS 50 0.811 -6.385 -16.168
393 3HZ LYS 50 3HZ LYS 50 0.577 -7.960 -16.761
394 H GLY 51 H GLY 51 2.766 -2.700 -10.233
395 1HA GLY 51 2HA GLY 51 2.667 -0.427 -9.545
396 2HA GLY 51 1HA GLY 51 1.559 -0.113 -10.877
397 H LEU 52 H LEU 52 1.117 -2.724 -8.632
398 HA LEU 52 HA LEU 52 -0.985 -1.227 -7.173
399 1HB LEU 52 2HB LEU 52 -1.389 -3.684 -8.858
400 2HB LEU 52 1HB LEU 52 -2.407 -3.411 -7.449
401 HG LEU 52 HG LEU 52 -2.036 -1.486 -9.762
402 1HD1 LEU 52 1HD1 LEU 52 -3.357 -3.282 -10.553
403 2HD1 LEU 52 2HD1 LEU 52 -4.540 -2.083 -10.025
404 3HD1 LEU 52 3HD1 LEU 52 -4.176 -3.476 -9.003
405 1HD2 LEU 52 1HD2 LEU 52 -3.284 -1.277 -7.069
406 2HD2 LEU 52 2HD2 LEU 52 -4.266 -0.674 -8.406
407 3HD2 LEU 52 3HD2 LEU 52 -2.659 -0.007 -8.123
408 H ALA 53 H ALA 53 -1.226 -1.932 -5.067
409 HA ALA 53 HA ALA 53 0.944 -3.552 -4.024
410 1HB ALA 53 1HB ALA 53 -1.501 -2.314 -2.757
411 2HB ALA 53 2HB ALA 53 0.171 -1.761 -2.633
412 3HB ALA 53 3HB ALA 53 -0.326 -3.257 -1.834
413 H TYR 54 H TYR 54 0.746 -5.535 -2.887
414 HA TYR 54 HA TYR 54 -1.803 -6.978 -2.996
415 1HB TYR 54 2HB TYR 54 0.632 -7.790 -4.586
416 2HB TYR 54 1HB TYR 54 -0.592 -8.951 -4.091
417 HD1 TYR 54 1HD TYR 54 0.280 -6.353 -6.408
418 HD2 TYR 54 2HD TYR 54 -3.003 -8.555 -4.747
419 HE1 TYR 54 1HE TYR 54 -1.125 -5.652 -8.283
420 HE2 TYR 54 2HE TYR 54 -4.437 -7.826 -6.660
421 HH TYR 54 HH TYR 54 -3.285 -6.646 -9.464
422 H CYS 55 H CYS 55 -1.890 -8.469 -1.287
423 HA CYS 55 HA CYS 55 0.050 -8.254 0.766
424 1HB CYS 55 2HB CYS 55 -1.893 -10.513 0.173
425 2HB CYS 55 1HB CYS 55 -0.940 -10.405 1.650
426 H GLU 56 H GLU 56 1.232 -10.420 1.540
427 HA GLU 56 HA GLU 56 3.250 -11.057 -0.390
428 1HB GLU 56 2HB GLU 56 3.637 -11.281 2.038
429 2HB GLU 56 1HB GLU 56 2.424 -12.540 2.127
430 1HG GLU 56 2HG GLU 56 4.885 -13.285 2.026
431 2HG GLU 56 1HG GLU 56 3.759 -14.082 0.933
432 H THR 57 H THR 57 0.280 -12.665 0.616
433 HA THR 57 HA THR 57 0.796 -15.010 -1.061
434 HB THR 57 HB THR 57 -1.575 -14.192 0.627
435 HG1 THR 57 1HG THR 57 0.162 -16.381 0.970
436 1HG2 THR 57 1HG2 THR 57 -2.218 -16.647 0.250
437 2HG2 THR 57 2HG2 THR 57 -1.094 -16.615 -1.109
438 3HG2 THR 57 3HG2 THR 57 -2.494 -15.543 -1.098
439 H HIS 58 H HIS 58 -1.410 -12.207 -1.172
440 HA HIS 58 HA HIS 58 -2.748 -13.177 -3.519
441 1HB HIS 58 2HB HIS 58 -2.517 -10.385 -2.380
442 2HB HIS 58 1HB HIS 58 -3.594 -10.841 -3.698
443 HD2 HIS 58 2HD HIS 58 -4.671 -13.710 -2.431
444 HE1 HIS 58 1HE HIS 58 -5.957 -11.385 0.847
445 HE2 HIS 58 2HE HIS 58 -6.197 -13.625 -0.321
446 H TYR 59 H TYR 59 -0.080 -10.892 -2.976
447 HA TYR 59 HA TYR 59 0.426 -10.134 -5.625
448 1HB TYR 59 2HB TYR 59 1.734 -9.241 -3.779
449 2HB TYR 59 1HB TYR 59 2.306 -10.836 -3.344
450 HD1 TYR 59 1HD TYR 59 1.975 -9.545 -6.809
451 HD2 TYR 59 2HD TYR 59 4.657 -10.511 -3.599
452 HE1 TYR 59 1HE TYR 59 3.875 -9.290 -8.320
453 HE2 TYR 59 2HE TYR 59 6.582 -10.237 -5.134
454 HH TYR 59 HH TYR 59 7.175 -10.072 -7.323
455 H ASN 60 H ASN 60 1.723 -12.820 -3.769
456 HA ASN 60 HA ASN 60 2.956 -14.094 -5.985
457 1HB ASN 60 2HB ASN 60 2.066 -15.161 -3.297
458 2HB ASN 60 1HB ASN 60 2.965 -16.126 -4.465
459 1HD2 ASN 60 1HD2 ASN 60 3.832 -15.102 -1.745
460 2HD2 ASN 60 2HD2 ASN 60 5.254 -14.223 -2.040
461 H GLN 61 H GLN 61 -0.171 -14.664 -4.353
462 HA GLN 61 HA GLN 61 -1.045 -16.839 -5.949
463 1HB GLN 61 2HB GLN 61 -2.304 -15.706 -3.987
464 2HB GLN 61 1HB GLN 61 -2.886 -14.561 -5.196
465 1HG GLN 61 2HG GLN 61 -3.937 -16.318 -6.461
466 2HG GLN 61 1HG GLN 61 -3.185 -17.562 -5.461
467 1HE2 GLN 61 1HE2 GLN 61 -3.697 -17.063 -2.925
468 2HE2 GLN 61 2HE2 GLN 61 -5.337 -16.761 -2.607
469 H LEU 62 H LEU 62 -1.054 -13.392 -6.503
470 HA LEU 62 HA LEU 62 -2.320 -13.463 -9.092
471 1HB LEU 62 2HB LEU 62 -0.793 -11.480 -7.463
472 2HB LEU 62 1HB LEU 62 -0.859 -11.191 -9.192
473 HG LEU 62 HG LEU 62 -3.439 -11.620 -8.877
474 1HD1 LEU 62 1HD1 LEU 62 -4.266 -10.896 -6.694
475 2HD1 LEU 62 2HD1 LEU 62 -2.614 -10.691 -6.116
476 3HD1 LEU 62 3HD1 LEU 62 -3.225 -12.305 -6.496
477 1HD2 LEU 62 1HD2 LEU 62 -2.029 -9.113 -7.942
478 2HD2 LEU 62 2HD2 LEU 62 -3.728 -9.200 -8.416
479 3HD2 LEU 62 3HD2 LEU 62 -2.463 -9.501 -9.606
480 H PHE 63 H PHE 63 1.012 -13.553 -7.950
481 HA PHE 63 HA PHE 63 1.875 -14.737 -10.508
482 1HB PHE 63 2HB PHE 63 2.527 -11.969 -9.607
483 2HB PHE 63 1HB PHE 63 3.810 -12.888 -10.382
484 HD1 PHE 63 1HD PHE 63 0.444 -11.460 -10.797
485 HD2 PHE 63 2HD PHE 63 3.699 -13.467 -12.741
486 HE1 PHE 63 1HE PHE 63 -0.578 -10.968 -13.007
487 HE2 PHE 63 2HE PHE 63 2.683 -12.979 -14.952
488 HZ PHE 63 HZ PHE 63 0.544 -11.729 -15.085
489 H GLY 64 H GLY 64 3.934 -12.979 -8.322
490 1HA GLY 64 2HA GLY 64 5.386 -13.735 -6.609
491 2HA GLY 64 1HA GLY 64 4.669 -15.340 -6.750
492 H ASP 65 H ASP 65 5.246 -14.722 -9.822
493 HA ASP 65 HA ASP 65 8.105 -14.864 -10.076
494 1HB ASP 65 2HB ASP 65 7.855 -17.065 -9.056
495 2HB ASP 65 1HB ASP 65 6.589 -17.488 -10.209
496 H VAL 66 H VAL 66 7.582 -13.381 -11.773
497 HA VAL 66 HA VAL 66 5.720 -13.872 -13.865
498 HB VAL 66 HB VAL 66 7.324 -12.310 -15.186
499 1HG1 VAL 66 1HG1 VAL 66 5.366 -11.378 -14.198
500 2HG1 VAL 66 2HG1 VAL 66 6.699 -10.376 -13.626
501 3HG1 VAL 66 3HG1 VAL 66 5.995 -11.598 -12.566
502 1HG2 VAL 66 1HG2 VAL 66 9.269 -12.983 -13.652
503 2HG2 VAL 66 2HG2 VAL 66 8.519 -11.956 -12.430
504 3HG2 VAL 66 3HG2 VAL 66 9.072 -11.256 -13.950
Start of MODEL 18
1 1H GLY 1 1HT GLY 1 6.285 28.384 -4.216
2 2H GLY 1 2HT GLY 1 5.006 29.460 -4.516
3 3H GLY 1 3HT GLY 1 4.694 27.804 -4.304
4 1HA GLY 1 2HA GLY 1 6.092 29.053 -2.102
5 2HA GLY 1 1HA GLY 1 4.447 29.636 -2.368
6 H SER 2 H SER 2 2.800 27.799 -2.751
7 HA SER 2 HA SER 2 2.985 25.962 -0.506
8 1HB SER 2 2HB SER 2 0.953 25.957 -2.753
9 2HB SER 2 1HB SER 2 0.768 25.245 -1.153
10 HG SER 2 HG SER 2 -0.212 27.347 -1.405
11 H MET 3 H MET 3 3.833 23.936 -0.553
12 HA MET 3 HA MET 3 3.583 22.132 -2.761
13 1HB MET 3 2HB MET 3 6.096 22.077 -3.297
14 2HB MET 3 1HB MET 3 5.179 23.432 -3.958
15 1HG MET 3 2HG MET 3 5.987 24.926 -2.290
16 2HG MET 3 1HG MET 3 6.598 23.605 -1.295
17 1HE MET 3 1HE MET 3 8.621 25.210 -1.136
18 2HE MET 3 2HE MET 3 10.056 24.657 -1.997
19 3HE MET 3 3HE MET 3 9.095 23.507 -1.070
20 H GLY 4 H GLY 4 2.950 21.321 -0.451
21 1HA GLY 4 2HA GLY 4 5.075 19.498 0.408
22 2HA GLY 4 1HA GLY 4 4.620 20.689 1.628
23 H VAL 5 H VAL 5 3.919 18.742 2.863
24 HA VAL 5 HA VAL 5 2.244 17.336 3.676
25 HB VAL 5 HB VAL 5 0.786 19.545 2.309
26 1HG1 VAL 5 1HG1 VAL 5 -0.636 17.805 1.545
27 2HG1 VAL 5 2HG1 VAL 5 -1.374 18.370 3.044
28 3HG1 VAL 5 3HG1 VAL 5 -0.431 16.880 3.037
29 1HG2 VAL 5 1HG2 VAL 5 0.755 18.257 5.052
30 2HG2 VAL 5 2HG2 VAL 5 -0.331 19.566 4.582
31 3HG2 VAL 5 3HG2 VAL 5 1.414 19.837 4.622
32 HA PRO 6 HA PRO 6 1.982 14.481 0.247
33 1HB PRO 6 2HB PRO 6 1.508 12.316 1.994
34 2HB PRO 6 1HB PRO 6 3.088 12.837 1.403
35 1HG PRO 6 2HG PRO 6 2.057 13.054 4.096
36 2HG PRO 6 1HG PRO 6 3.650 13.511 3.494
37 1HD PRO 6 2HD PRO 6 1.382 15.231 4.149
38 2HD PRO 6 1HD PRO 6 3.047 15.682 3.773
39 H ILE 7 H ILE 7 0.325 12.946 -0.483
40 HA ILE 7 HA ILE 7 -2.298 13.333 0.855
41 HB ILE 7 HB ILE 7 -1.621 13.906 -2.025
42 1HG1 ILE 7 2HG1 ILE 7 -3.264 15.338 0.066
43 2HG1 ILE 7 1HG1 ILE 7 -1.568 15.668 -0.225
44 1HG2 ILE 7 1HG2 ILE 7 -4.189 14.091 -2.229
45 2HG2 ILE 7 2HG2 ILE 7 -4.251 13.102 -0.769
46 3HG2 ILE 7 3HG2 ILE 7 -3.507 12.466 -2.236
47 1HD1 ILE 7 1HD1 ILE 7 -1.996 16.595 -2.340
48 2HD1 ILE 7 2HD1 ILE 7 -3.366 17.159 -1.378
49 3HD1 ILE 7 3HD1 ILE 7 -3.561 15.791 -2.478
50 H CYS 8 H CYS 8 -3.100 11.444 1.299
51 HA CYS 8 HA CYS 8 -2.015 8.992 0.459
52 1HB CYS 8 2HB CYS 8 -3.326 9.124 2.477
53 2HB CYS 8 1HB CYS 8 -4.743 9.638 1.576
54 H GLY 9 H GLY 9 -2.008 8.207 -1.531
55 1HA GLY 9 2HA GLY 9 -3.670 9.106 -3.647
56 2HA GLY 9 1HA GLY 9 -2.728 7.618 -3.682
57 H ALA 10 H ALA 10 -4.493 7.309 -0.984
58 HA ALA 10 HA ALA 10 -6.418 5.532 -2.306
59 1HB ALA 10 1HB ALA 10 -6.522 6.063 0.634
60 2HB ALA 10 2HB ALA 10 -5.094 5.252 -0.002
61 3HB ALA 10 3HB ALA 10 -6.686 4.539 -0.237
62 H CYS 11 H CYS 11 -6.715 8.149 0.101
63 HA CYS 11 HA CYS 11 -9.499 8.610 -0.856
64 1HB CYS 11 2HB CYS 11 -9.440 10.192 1.237
65 2HB CYS 11 1HB CYS 11 -9.548 8.449 1.480
66 H ARG 12 H ARG 12 -6.452 9.699 -1.544
67 HA ARG 12 HA ARG 12 -5.625 11.647 -2.530
68 1HB ARG 12 2HB ARG 12 -8.575 11.860 -3.178
69 2HB ARG 12 1HB ARG 12 -7.394 13.030 -3.759
70 1HG ARG 12 2HG ARG 12 -7.183 10.042 -4.218
71 2HG ARG 12 1HG ARG 12 -7.873 11.168 -5.386
72 1HD ARG 12 2HD ARG 12 -5.469 12.378 -4.774
73 2HD ARG 12 1HD ARG 12 -5.045 10.672 -4.704
74 HE ARG 12 HE ARG 12 -5.306 12.095 -7.087
75 1HH1 ARG 12 1HH2 ARG 12 -6.826 9.354 -5.631
76 2HH1 ARG 12 2HH2 ARG 12 -7.313 8.666 -7.141
77 1HH2 ARG 12 1HH1 ARG 12 -5.927 11.200 -9.052
78 2HH2 ARG 12 2HH1 ARG 12 -6.802 9.705 -9.074
79 H ARG 13 H ARG 13 -6.137 11.707 0.266
80 HA ARG 13 HA ARG 13 -6.957 14.558 0.643
81 1HB ARG 13 2HB ARG 13 -7.189 12.176 2.496
82 2HB ARG 13 1HB ARG 13 -7.359 13.836 3.062
83 1HG ARG 13 2HG ARG 13 -9.034 12.559 0.880
84 2HG ARG 13 1HG ARG 13 -9.554 12.807 2.543
85 1HD ARG 13 2HD ARG 13 -10.412 14.746 1.669
86 2HD ARG 13 1HD ARG 13 -8.771 15.327 1.948
87 HE ARG 13 HE ARG 13 -8.663 14.229 -0.594
88 1HH1 ARG 13 1HH2 ARG 13 -10.625 16.530 1.060
89 2HH1 ARG 13 2HH2 ARG 13 -10.958 17.465 -0.359
90 1HH2 ARG 13 1HH1 ARG 13 -9.086 15.436 -2.457
91 2HH2 ARG 13 2HH1 ARG 13 -10.087 16.846 -2.351
92 HA PRO 14 HA PRO 14 -2.818 15.357 1.807
93 1HB PRO 14 2HB PRO 14 -3.521 17.074 4.022
94 2HB PRO 14 1HB PRO 14 -2.937 17.523 2.418
95 1HG PRO 14 2HG PRO 14 -5.577 17.872 3.418
96 2HG PRO 14 1HG PRO 14 -4.995 18.186 1.775
97 1HD PRO 14 2HD PRO 14 -6.695 16.008 2.691
98 2HD PRO 14 1HD PRO 14 -6.216 16.412 1.031
99 H ILE 15 H ILE 15 -1.721 13.725 2.772
100 HA ILE 15 HA ILE 15 -2.694 12.401 5.160
101 HB ILE 15 HB ILE 15 0.043 12.320 3.843
102 1HG1 ILE 15 2HG1 ILE 15 -1.878 10.040 3.844
103 2HG1 ILE 15 1HG1 ILE 15 -2.263 11.407 2.802
104 1HG2 ILE 15 1HG2 ILE 15 0.016 10.057 5.196
105 2HG2 ILE 15 2HG2 ILE 15 -1.144 10.907 6.216
106 3HG2 ILE 15 3HG2 ILE 15 0.482 11.552 6.013
107 1HD1 ILE 15 1HD1 ILE 15 -0.388 11.099 1.471
108 2HD1 ILE 15 2HD1 ILE 15 -0.728 9.430 1.920
109 3HD1 ILE 15 3HD1 ILE 15 0.533 10.331 2.760
110 H GLU 16 H GLU 16 -1.520 12.423 7.289
111 HA GLU 16 HA GLU 16 0.330 14.593 7.841
112 1HB GLU 16 2HB GLU 16 -1.387 15.749 9.426
113 2HB GLU 16 1HB GLU 16 -1.456 16.111 7.702
114 1HG GLU 16 2HG GLU 16 -3.319 14.684 7.361
115 2HG GLU 16 1HG GLU 16 -3.090 13.879 8.914
116 H GLY 17 H GLY 17 1.061 12.360 8.593
117 1HA GLY 17 2HA GLY 17 1.263 12.247 11.379
118 2HA GLY 17 1HA GLY 17 -0.089 11.191 10.967
119 H ARG 18 H ARG 18 0.460 9.816 8.942
120 HA ARG 18 HA ARG 18 3.273 8.869 8.979
121 1HB ARG 18 2HB ARG 18 1.162 7.505 10.274
122 2HB ARG 18 1HB ARG 18 1.427 6.633 8.769
123 1HG ARG 18 2HG ARG 18 3.500 7.276 10.887
124 2HG ARG 18 1HG ARG 18 2.877 5.681 10.470
125 1HD ARG 18 2HD ARG 18 3.770 6.620 8.024
126 2HD ARG 18 1HD ARG 18 4.966 7.272 9.144
127 HE ARG 18 HE ARG 18 4.707 4.626 9.924
128 1HH1 ARG 18 1HH2 ARG 18 5.330 6.324 6.988
129 2HH1 ARG 18 2HH2 ARG 18 6.312 5.066 6.314
130 1HH2 ARG 18 1HH1 ARG 18 5.986 2.975 9.060
131 2HH2 ARG 18 2HH1 ARG 18 6.683 3.171 7.487
132 H VAL 19 H VAL 19 3.945 8.312 6.902
133 HA VAL 19 HA VAL 19 1.814 8.247 4.793
134 HB VAL 19 HB VAL 19 4.583 9.460 4.537
135 1HG1 VAL 19 1HG1 VAL 19 3.121 10.448 2.476
136 2HG1 VAL 19 2HG1 VAL 19 2.356 8.870 2.643
137 3HG1 VAL 19 3HG1 VAL 19 4.091 8.979 2.339
138 1HG2 VAL 19 1HG2 VAL 19 1.998 10.987 4.430
139 2HG2 VAL 19 2HG2 VAL 19 3.619 11.583 4.781
140 3HG2 VAL 19 3HG2 VAL 19 2.742 10.647 5.990
141 H VAL 20 H VAL 20 2.237 6.930 2.986
142 HA VAL 20 HA VAL 20 4.496 4.991 3.303
143 HB VAL 20 HB VAL 20 1.605 4.521 2.583
144 1HG1 VAL 20 1HG1 VAL 20 2.527 3.361 0.793
145 2HG1 VAL 20 2HG1 VAL 20 2.602 2.120 2.043
146 3HG1 VAL 20 3HG1 VAL 20 4.045 3.055 1.640
147 1HG2 VAL 20 1HG2 VAL 20 3.570 3.088 4.392
148 2HG2 VAL 20 2HG2 VAL 20 1.860 2.691 4.207
149 3HG2 VAL 20 3HG2 VAL 20 2.337 4.231 4.916
150 H ASN 21 H ASN 21 5.878 5.369 1.637
151 HA ASN 21 HA ASN 21 4.863 6.726 -0.770
152 1HB ASN 21 2HB ASN 21 7.614 5.947 0.171
153 2HB ASN 21 1HB ASN 21 7.325 6.645 -1.419
154 1HD2 ASN 21 1HD2 ASN 21 5.042 7.838 0.794
155 2HD2 ASN 21 2HD2 ASN 21 5.807 9.305 1.170
156 H ALA 22 H ALA 22 3.820 5.360 -2.132
157 HA ALA 22 HA ALA 22 5.366 3.060 -3.198
158 1HB ALA 22 1HB ALA 22 3.754 2.296 -1.350
159 2HB ALA 22 2HB ALA 22 3.582 1.501 -2.915
160 3HB ALA 22 3HB ALA 22 2.451 2.769 -2.442
161 H MET 23 H MET 23 4.457 2.371 -5.333
162 HA MET 23 HA MET 23 3.660 2.952 -7.467
163 1HB MET 23 2HB MET 23 1.624 4.667 -6.038
164 2HB MET 23 1HB MET 23 1.443 3.813 -7.571
165 1HG MET 23 2HG MET 23 1.748 2.502 -4.851
166 2HG MET 23 1HG MET 23 0.250 2.631 -5.767
167 1HE MET 23 1HE MET 23 0.447 -0.158 -5.175
168 2HE MET 23 2HE MET 23 2.063 0.184 -4.555
169 3HE MET 23 3HE MET 23 1.833 -1.105 -5.738
170 H GLY 24 H GLY 24 5.339 4.739 -5.627
171 1HA GLY 24 2HA GLY 24 6.603 6.704 -6.012
172 2HA GLY 24 1HA GLY 24 5.771 6.862 -7.562
173 H LYS 25 H LYS 25 3.683 6.343 -4.976
174 HA LYS 25 HA LYS 25 2.953 9.249 -4.875
175 1HB LYS 25 2HB LYS 25 1.234 6.768 -4.545
176 2HB LYS 25 1HB LYS 25 0.657 8.419 -4.366
177 1HG LYS 25 2HG LYS 25 2.021 8.321 -6.858
178 2HG LYS 25 1HG LYS 25 0.996 6.888 -6.789
179 1HD LYS 25 2HD LYS 25 -0.913 8.392 -6.092
180 2HD LYS 25 1HD LYS 25 0.134 9.770 -6.436
181 1HE LYS 25 2HE LYS 25 -1.356 9.172 -8.355
182 2HE LYS 25 1HE LYS 25 0.359 9.083 -8.758
183 1HZ LYS 25 1HZ LYS 25 -0.897 6.664 -7.718
184 2HZ LYS 25 2HZ LYS 25 0.311 6.840 -8.900
185 3HZ LYS 25 3HZ LYS 25 -1.317 7.129 -9.294
186 H GLN 26 H GLN 26 1.099 8.826 -2.760
187 HA GLN 26 HA GLN 26 2.787 8.000 -0.442
188 1HB GLN 26 2HB GLN 26 1.376 10.633 -0.920
189 2HB GLN 26 1HB GLN 26 1.764 10.087 0.707
190 1HG GLN 26 2HG GLN 26 4.025 10.417 0.426
191 2HG GLN 26 1HG GLN 26 3.990 9.903 -1.257
192 1HE2 GLN 26 1HE2 GLN 26 1.558 12.196 -0.926
193 2HE2 GLN 26 2HE2 GLN 26 2.432 13.573 -1.390
194 H TRP 27 H TRP 27 1.468 6.985 1.191
195 HA TRP 27 HA TRP 27 -1.483 7.071 0.732
196 1HB TRP 27 2HB TRP 27 0.092 4.513 1.096
197 2HB TRP 27 1HB TRP 27 -1.639 4.651 0.812
198 HD1 TRP 27 HD TRP 27 1.734 5.203 -0.957
199 HE1 TRP 27 1HE TRP 27 1.330 5.144 -3.506
200 HE3 TRP 27 3HE TRP 27 -3.335 4.894 -1.013
201 HZ2 TRP 27 2HZ TRP 27 -0.883 4.992 -5.324
202 HZ3 TRP 27 3HZ TRP 27 -4.579 4.793 -3.141
203 HH2 TRP 27 HH TRP 27 -3.361 4.842 -5.303
204 H HIS 28 H HIS 28 -2.681 6.979 2.657
205 HA HIS 28 HA HIS 28 -1.373 7.493 5.143
206 1HB HIS 28 2HB HIS 28 -4.102 6.365 4.475
207 2HB HIS 28 1HB HIS 28 -3.558 6.483 6.142
208 HD2 HIS 28 2HD HIS 28 -2.660 9.325 6.728
209 HE1 HIS 28 1HE HIS 28 -5.578 10.850 4.085
210 HE2 HIS 28 2HE HIS 28 -3.981 11.445 5.968
211 H VAL 29 H VAL 29 -0.561 6.012 6.701
212 HA VAL 29 HA VAL 29 0.319 3.471 5.796
213 HB VAL 29 HB VAL 29 0.078 4.747 8.513
214 1HG1 VAL 29 1HG1 VAL 29 0.791 1.883 7.862
215 2HG1 VAL 29 2HG1 VAL 29 -0.350 2.475 9.070
216 3HG1 VAL 29 3HG1 VAL 29 1.384 2.683 9.318
217 1HG2 VAL 29 1HG2 VAL 29 1.893 5.325 6.844
218 2HG2 VAL 29 2HG2 VAL 29 2.452 3.655 6.981
219 3HG2 VAL 29 3HG2 VAL 29 2.490 4.710 8.388
220 H GLU 30 H GLU 30 -2.736 4.499 6.979
221 HA GLU 30 HA GLU 30 -3.544 1.739 7.660
222 1HB GLU 30 2HB GLU 30 -5.748 2.886 8.240
223 2HB GLU 30 1HB GLU 30 -4.356 3.341 9.224
224 1HG GLU 30 2HG GLU 30 -4.091 5.407 8.095
225 2HG GLU 30 1HG GLU 30 -5.125 4.902 6.757
226 H HIS 31 H HIS 31 -3.893 4.074 5.069
227 HA HIS 31 HA HIS 31 -6.072 2.468 3.843
228 1HB HIS 31 2HB HIS 31 -4.756 5.048 2.932
229 2HB HIS 31 1HB HIS 31 -6.089 4.252 2.104
230 HD2 HIS 31 2HD HIS 31 -7.609 3.530 5.135
231 HE1 HIS 31 1HE HIS 31 -8.086 7.720 5.187
232 HE2 HIS 31 2HE HIS 31 -8.885 5.537 6.199
233 H PHE 32 H PHE 32 -2.689 2.507 3.813
234 HA PHE 32 HA PHE 32 -2.450 1.689 1.009
235 1HB PHE 32 2HB PHE 32 -0.565 2.790 2.402
236 2HB PHE 32 1HB PHE 32 -0.357 1.197 3.136
237 HD1 PHE 32 1HD PHE 32 1.238 -0.187 2.135
238 HD2 PHE 32 2HD PHE 32 -0.920 2.619 -0.297
239 HE1 PHE 32 1HE PHE 32 2.470 -0.962 0.129
240 HE2 PHE 32 2HE PHE 32 0.310 1.840 -2.293
241 HZ PHE 32 HZ PHE 32 2.009 0.048 -2.083
242 H VAL 33 H VAL 33 -3.469 -0.171 0.555
243 HA VAL 33 HA VAL 33 -2.924 -2.530 2.304
244 HB VAL 33 HB VAL 33 -5.250 -3.224 2.003
245 1HG1 VAL 33 1HG1 VAL 33 -5.544 -2.069 3.917
246 2HG1 VAL 33 2HG1 VAL 33 -6.155 -0.740 2.935
247 3HG1 VAL 33 3HG1 VAL 33 -4.457 -0.783 3.396
248 1HG2 VAL 33 1HG2 VAL 33 -5.432 -0.655 0.408
249 2HG2 VAL 33 2HG2 VAL 33 -6.842 -1.564 0.951
250 3HG2 VAL 33 3HG2 VAL 33 -5.704 -2.296 -0.182
251 H CYS 34 H CYS 34 -3.772 -4.539 1.161
252 HA CYS 34 HA CYS 34 -2.335 -4.939 -1.280
253 1HB CYS 34 2HB CYS 34 -2.685 -6.849 0.022
254 2HB CYS 34 1HB CYS 34 -4.381 -6.490 0.287
255 H ALA 35 H ALA 35 -3.143 -5.154 -3.420
256 HA ALA 35 HA ALA 35 -5.633 -3.634 -3.919
257 1HB ALA 35 1HB ALA 35 -3.717 -4.762 -5.961
258 2HB ALA 35 2HB ALA 35 -3.413 -3.237 -5.129
259 3HB ALA 35 3HB ALA 35 -4.839 -3.416 -6.157
260 H LYS 36 H LYS 36 -5.644 -6.415 -2.838
261 HA LYS 36 HA LYS 36 -7.398 -7.627 -4.931
262 1HB LYS 36 2HB LYS 36 -5.125 -8.726 -4.927
263 2HB LYS 36 1HB LYS 36 -5.422 -9.211 -3.267
264 1HG LYS 36 2HG LYS 36 -6.054 -11.075 -4.600
265 2HG LYS 36 1HG LYS 36 -7.558 -10.309 -4.107
266 1HD LYS 36 2HD LYS 36 -6.618 -9.109 -6.576
267 2HD LYS 36 1HD LYS 36 -6.699 -10.860 -6.757
268 1HE LYS 36 2HE LYS 36 -8.931 -9.001 -5.916
269 2HE LYS 36 1HE LYS 36 -8.849 -9.985 -7.374
270 1HZ LYS 36 1HZ LYS 36 -8.550 -11.867 -5.556
271 2HZ LYS 36 2HZ LYS 36 -10.078 -11.365 -6.102
272 3HZ LYS 36 3HZ LYS 36 -9.459 -10.771 -4.635
273 H CYS 37 H CYS 37 -6.501 -7.310 -1.539
274 HA CYS 37 HA CYS 37 -9.212 -8.362 -0.806
275 1HB CYS 37 2HB CYS 37 -8.243 -9.503 1.096
276 2HB CYS 37 1HB CYS 37 -7.344 -9.979 -0.342
277 H GLU 38 H GLU 38 -6.850 -5.888 -0.480
278 HA GLU 38 HA GLU 38 -6.984 -3.843 0.596
279 1HB GLU 38 2HB GLU 38 -9.637 -4.634 1.784
280 2HB GLU 38 1HB GLU 38 -9.052 -3.025 1.375
281 1HG GLU 38 2HG GLU 38 -10.211 -3.253 -0.560
282 2HG GLU 38 1HG GLU 38 -8.928 -4.352 -1.063
283 H LYS 39 H LYS 39 -5.498 -5.777 1.802
284 HA LYS 39 HA LYS 39 -6.211 -5.629 4.693
285 1HB LYS 39 2HB LYS 39 -4.569 -7.488 3.039
286 2HB LYS 39 1HB LYS 39 -4.029 -7.200 4.692
287 1HG LYS 39 2HG LYS 39 -6.669 -7.602 5.160
288 2HG LYS 39 1HG LYS 39 -6.479 -8.586 3.712
289 1HD LYS 39 2HD LYS 39 -4.412 -9.586 4.889
290 2HD LYS 39 1HD LYS 39 -5.053 -8.843 6.355
291 1HE LYS 39 2HE LYS 39 -7.184 -10.056 6.035
292 2HE LYS 39 1HE LYS 39 -6.529 -10.814 4.584
293 1HZ LYS 39 1HZ LYS 39 -5.756 -11.221 7.396
294 2HZ LYS 39 2HZ LYS 39 -4.641 -11.538 6.153
295 3HZ LYS 39 3HZ LYS 39 -6.118 -12.376 6.209
296 HA PRO 40 HA PRO 40 -3.273 -2.232 4.426
297 1HB PRO 40 2HB PRO 40 -3.709 -1.556 7.120
298 2HB PRO 40 1HB PRO 40 -4.457 -0.795 5.734
299 1HG PRO 40 2HG PRO 40 -5.650 -2.559 7.688
300 2HG PRO 40 1HG PRO 40 -6.450 -1.697 6.379
301 1HD PRO 40 2HD PRO 40 -5.861 -4.511 6.543
302 2HD PRO 40 1HD PRO 40 -6.639 -3.654 5.202
303 H PHE 41 H PHE 41 -1.174 -2.123 4.900
304 HA PHE 41 HA PHE 41 -0.044 -4.146 6.783
305 1HB PHE 41 2HB PHE 41 1.706 -2.337 5.161
306 2HB PHE 41 1HB PHE 41 1.949 -4.021 5.611
307 HD1 PHE 41 1HD PHE 41 -0.014 -1.770 3.395
308 HD2 PHE 41 2HD PHE 41 1.240 -5.792 4.214
309 HE1 PHE 41 1HE PHE 41 -0.901 -2.496 1.193
310 HE2 PHE 41 2HE PHE 41 0.351 -6.517 2.024
311 HZ PHE 41 HZ PHE 41 -0.718 -4.877 0.509
312 H LEU 42 H LEU 42 -1.241 -2.371 8.306
313 HA LEU 42 HA LEU 42 -0.288 0.120 8.944
314 1HB LEU 42 2HB LEU 42 -1.118 -2.195 10.656
315 2HB LEU 42 1HB LEU 42 -0.435 -0.776 11.445
316 HG LEU 42 HG LEU 42 -2.120 0.655 10.341
317 1HD1 LEU 42 1HD1 LEU 42 -2.443 -0.474 8.290
318 2HD1 LEU 42 2HD1 LEU 42 -3.992 -0.566 9.135
319 3HD1 LEU 42 3HD1 LEU 42 -2.918 -1.968 9.102
320 1HD2 LEU 42 1HD2 LEU 42 -2.887 -0.114 12.452
321 2HD2 LEU 42 2HD2 LEU 42 -3.101 -1.762 11.864
322 3HD2 LEU 42 3HD2 LEU 42 -4.213 -0.493 11.352
323 H GLY 43 H GLY 43 1.206 -2.877 10.176
324 1HA GLY 43 2HA GLY 43 3.841 -1.470 10.152
325 2HA GLY 43 1HA GLY 43 3.326 -2.346 11.591
326 H HIS 44 H HIS 44 2.599 -3.436 8.338
327 HA HIS 44 HA HIS 44 4.446 -5.758 8.800
328 1HB HIS 44 2HB HIS 44 2.105 -5.915 6.930
329 2HB HIS 44 1HB HIS 44 2.884 -7.198 7.856
330 HD1 HIS 44 1HD HIS 44 2.794 -5.391 10.568
331 HD2 HIS 44 2HD HIS 44 -0.417 -6.478 8.148
332 HE1 HIS 44 1HE HIS 44 0.725 -5.252 12.023
333 H ARG 45 H ARG 45 4.313 -6.845 6.251
334 HA ARG 45 HA ARG 45 5.753 -4.771 4.639
335 1HB ARG 45 2HB ARG 45 7.260 -6.552 5.108
336 2HB ARG 45 1HB ARG 45 6.024 -7.777 4.827
337 1HG ARG 45 2HG ARG 45 6.054 -7.423 2.474
338 2HG ARG 45 1HG ARG 45 6.951 -5.914 2.635
339 1HD ARG 45 2HD ARG 45 8.859 -7.268 3.608
340 2HD ARG 45 1HD ARG 45 7.968 -8.719 3.148
341 HE ARG 45 HE ARG 45 8.073 -7.242 0.808
342 1HH1 ARG 45 1HH2 ARG 45 10.329 -8.378 3.154
343 2HH1 ARG 45 2HH2 ARG 45 11.629 -8.540 2.021
344 1HH2 ARG 45 1HH1 ARG 45 9.757 -7.448 -0.686
345 2HH2 ARG 45 2HH1 ARG 45 11.305 -8.014 -0.153
346 H HIS 46 H HIS 46 5.208 -4.560 2.418
347 HA HIS 46 HA HIS 46 2.704 -5.993 1.602
348 1HB HIS 46 2HB HIS 46 2.272 -3.998 0.137
349 2HB HIS 46 1HB HIS 46 2.184 -3.655 1.859
350 HD1 HIS 46 1HD HIS 46 4.224 -2.341 2.914
351 HD2 HIS 46 2HD HIS 46 4.371 -2.718 -1.240
352 HE1 HIS 46 1HE HIS 46 5.995 -0.720 2.110
353 H TYR 47 H TYR 47 2.464 -6.031 -0.795
354 HA TYR 47 HA TYR 47 5.072 -6.352 -2.208
355 1HB TYR 47 2HB TYR 47 2.741 -8.254 -2.482
356 2HB TYR 47 1HB TYR 47 4.396 -8.497 -3.009
357 HD1 TYR 47 1HD TYR 47 5.902 -9.633 -1.594
358 HD2 TYR 47 2HD TYR 47 2.397 -7.812 0.093
359 HE1 TYR 47 1HE TYR 47 6.480 -10.544 0.641
360 HE2 TYR 47 2HE TYR 47 2.991 -8.719 2.314
361 HH TYR 47 HH TYR 47 5.300 -9.447 3.438
362 H GLU 48 H GLU 48 4.989 -5.482 -4.303
363 HA GLU 48 HA GLU 48 2.308 -4.439 -5.136
364 1HB GLU 48 2HB GLU 48 3.835 -2.726 -6.399
365 2HB GLU 48 1HB GLU 48 3.530 -2.525 -4.677
366 1HG GLU 48 2HG GLU 48 5.946 -2.306 -5.299
367 2HG GLU 48 1HG GLU 48 5.630 -3.577 -4.116
368 H ARG 49 H ARG 49 1.812 -4.311 -7.324
369 HA ARG 49 HA ARG 49 3.521 -5.826 -9.223
370 1HB ARG 49 2HB ARG 49 2.106 -7.579 -8.537
371 2HB ARG 49 1HB ARG 49 0.721 -6.523 -8.369
372 1HG ARG 49 2HG ARG 49 0.059 -7.132 -10.439
373 2HG ARG 49 1HG ARG 49 1.471 -6.314 -11.087
374 1HD ARG 49 2HD ARG 49 1.812 -9.083 -10.006
375 2HD ARG 49 1HD ARG 49 1.061 -8.854 -11.584
376 HE ARG 49 HE ARG 49 3.311 -7.296 -11.765
377 1HH1 ARG 49 1HH2 ARG 49 2.653 -10.538 -10.808
378 2HH1 ARG 49 2HH2 ARG 49 4.176 -11.151 -11.361
379 1HH2 ARG 49 1HH1 ARG 49 5.302 -8.075 -12.493
380 2HH2 ARG 49 2HH1 ARG 49 5.675 -9.757 -12.314
381 H LYS 50 H LYS 50 3.542 -4.849 -11.172
382 HA LYS 50 HA LYS 50 3.188 -3.182 -12.753
383 1HB LYS 50 2HB LYS 50 1.052 -3.314 -13.837
384 2HB LYS 50 1HB LYS 50 1.433 -4.934 -13.263
385 1HG LYS 50 2HG LYS 50 -0.117 -4.793 -11.478
386 2HG LYS 50 1HG LYS 50 -0.231 -3.039 -11.594
387 1HD LYS 50 2HD LYS 50 -2.231 -4.067 -12.556
388 2HD LYS 50 1HD LYS 50 -1.294 -3.277 -13.824
389 1HE LYS 50 2HE LYS 50 -0.434 -5.346 -14.624
390 2HE LYS 50 1HE LYS 50 -0.949 -6.208 -13.174
391 1HZ LYS 50 1HZ LYS 50 -3.092 -4.870 -14.546
392 2HZ LYS 50 2HZ LYS 50 -3.000 -6.465 -13.971
393 3HZ LYS 50 3HZ LYS 50 -2.344 -6.066 -15.485
394 H GLY 51 H GLY 51 2.991 -2.438 -9.860
395 1HA GLY 51 2HA GLY 51 2.873 -0.204 -9.014
396 2HA GLY 51 1HA GLY 51 1.873 0.234 -10.393
397 H LEU 52 H LEU 52 1.220 -2.592 -8.477
398 HA LEU 52 HA LEU 52 -0.971 -1.175 -7.059
399 1HB LEU 52 2HB LEU 52 -1.248 -3.550 -8.882
400 2HB LEU 52 1HB LEU 52 -2.344 -3.364 -7.518
401 HG LEU 52 HG LEU 52 -1.885 -1.327 -9.717
402 1HD1 LEU 52 1HD1 LEU 52 -4.374 -1.899 -10.101
403 2HD1 LEU 52 2HD1 LEU 52 -4.066 -3.328 -9.112
404 3HD1 LEU 52 3HD1 LEU 52 -3.183 -3.093 -10.621
405 1HD2 LEU 52 1HD2 LEU 52 -2.557 0.080 -8.034
406 2HD2 LEU 52 2HD2 LEU 52 -3.223 -1.232 -7.059
407 3HD2 LEU 52 3HD2 LEU 52 -4.157 -0.566 -8.402
408 H ALA 53 H ALA 53 -1.086 -1.763 -4.977
409 HA ALA 53 HA ALA 53 0.940 -3.503 -3.918
410 1HB ALA 53 1HB ALA 53 -0.338 -3.184 -1.746
411 2HB ALA 53 2HB ALA 53 -1.491 -2.218 -2.674
412 3HB ALA 53 3HB ALA 53 0.190 -1.693 -2.535
413 H TYR 54 H TYR 54 0.713 -5.488 -2.855
414 HA TYR 54 HA TYR 54 -1.872 -6.877 -2.947
415 1HB TYR 54 2HB TYR 54 0.532 -7.710 -4.567
416 2HB TYR 54 1HB TYR 54 -0.683 -8.868 -4.050
417 HD1 TYR 54 1HD TYR 54 0.141 -6.249 -6.361
418 HD2 TYR 54 2HD TYR 54 -3.089 -8.497 -4.680
419 HE1 TYR 54 1HE TYR 54 -1.294 -5.555 -8.230
420 HE2 TYR 54 2HE TYR 54 -4.560 -7.772 -6.569
421 HH TYR 54 HH TYR 54 -4.532 -6.864 -8.666
422 H CYS 55 H CYS 55 -1.975 -8.392 -1.266
423 HA CYS 55 HA CYS 55 -0.081 -8.227 0.821
424 1HB CYS 55 2HB CYS 55 -2.011 -10.458 0.104
425 2HB CYS 55 1HB CYS 55 -1.060 -10.450 1.586
426 H GLU 56 H GLU 56 1.018 -10.491 1.566
427 HA GLU 56 HA GLU 56 3.133 -11.045 -0.312
428 1HB GLU 56 2HB GLU 56 3.265 -11.323 2.216
429 2HB GLU 56 1HB GLU 56 2.292 -12.773 2.032
430 1HG GLU 56 2HG GLU 56 4.826 -12.400 0.438
431 2HG GLU 56 1HG GLU 56 4.868 -13.050 2.077
432 H THR 57 H THR 57 0.155 -12.698 0.596
433 HA THR 57 HA THR 57 0.713 -14.972 -1.168
434 HB THR 57 HB THR 57 -1.662 -14.266 0.564
435 HG1 THR 57 1HG THR 57 0.701 -15.579 0.898
436 1HG2 THR 57 1HG2 THR 57 -2.560 -15.577 -1.202
437 2HG2 THR 57 2HG2 THR 57 -2.252 -16.720 0.106
438 3HG2 THR 57 3HG2 THR 57 -1.136 -16.618 -1.256
439 H HIS 58 H HIS 58 -1.534 -12.197 -1.178
440 HA HIS 58 HA HIS 58 -2.887 -13.128 -3.532
441 1HB HIS 58 2HB HIS 58 -2.679 -10.338 -2.375
442 2HB HIS 58 1HB HIS 58 -3.773 -10.811 -3.670
443 HD2 HIS 58 2HD HIS 58 -4.779 -13.693 -2.393
444 HE1 HIS 58 1HE HIS 58 -6.066 -11.398 0.904
445 HE2 HIS 58 2HE HIS 58 -6.282 -13.637 -0.266
446 H TYR 59 H TYR 59 -0.198 -10.865 -2.987
447 HA TYR 59 HA TYR 59 0.244 -10.054 -5.628
448 1HB TYR 59 2HB TYR 59 1.623 -9.211 -3.818
449 2HB TYR 59 1HB TYR 59 2.189 -10.822 -3.429
450 HD1 TYR 59 1HD TYR 59 1.754 -9.465 -6.866
451 HD2 TYR 59 2HD TYR 59 4.535 -10.532 -3.769
452 HE1 TYR 59 1HE TYR 59 3.603 -9.217 -8.439
453 HE2 TYR 59 2HE TYR 59 6.405 -10.263 -5.367
454 HH TYR 59 HH TYR 59 6.271 -10.408 -8.383
455 H ASN 60 H ASN 60 1.573 -12.794 -3.872
456 HA ASN 60 HA ASN 60 2.722 -14.031 -6.153
457 1HB ASN 60 2HB ASN 60 1.982 -15.048 -3.414
458 2HB ASN 60 1HB ASN 60 2.653 -16.125 -4.638
459 1HD2 ASN 60 1HD2 ASN 60 3.417 -13.534 -2.406
460 2HD2 ASN 60 2HD2 ASN 60 5.082 -13.482 -2.732
461 H GLN 61 H GLN 61 -0.372 -14.584 -4.454
462 HA GLN 61 HA GLN 61 -1.299 -16.726 -6.072
463 1HB GLN 61 2HB GLN 61 -2.489 -15.572 -4.050
464 2HB GLN 61 1HB GLN 61 -3.143 -14.474 -5.266
465 1HG GLN 61 2HG GLN 61 -4.760 -16.208 -5.052
466 2HG GLN 61 1HG GLN 61 -3.884 -16.567 -6.540
467 1HE2 GLN 61 1HE2 GLN 61 -1.698 -17.205 -4.132
468 2HE2 GLN 61 2HE2 GLN 61 -2.011 -18.856 -3.890
469 H LEU 62 H LEU 62 -1.182 -13.284 -6.575
470 HA LEU 62 HA LEU 62 -2.534 -13.306 -9.145
471 1HB LEU 62 2HB LEU 62 -1.022 -11.330 -7.486
472 2HB LEU 62 1HB LEU 62 -1.141 -11.004 -9.207
473 HG LEU 62 HG LEU 62 -3.715 -11.554 -8.778
474 1HD1 LEU 62 1HD1 LEU 62 -2.721 -10.552 -6.099
475 2HD1 LEU 62 2HD1 LEU 62 -3.454 -12.128 -6.412
476 3HD1 LEU 62 3HD1 LEU 62 -4.414 -10.660 -6.576
477 1HD2 LEU 62 1HD2 LEU 62 -2.935 -9.447 -9.666
478 2HD2 LEU 62 2HD2 LEU 62 -2.294 -8.977 -8.093
479 3HD2 LEU 62 3HD2 LEU 62 -4.040 -9.107 -8.335
480 H PHE 63 H PHE 63 0.762 -13.580 -7.998
481 HA PHE 63 HA PHE 63 1.642 -14.607 -10.589
482 1HB PHE 63 2HB PHE 63 2.323 -11.848 -9.635
483 2HB PHE 63 1HB PHE 63 3.527 -12.754 -10.542
484 HD1 PHE 63 1HD PHE 63 0.469 -10.858 -10.696
485 HD2 PHE 63 2HD PHE 63 2.913 -13.657 -12.843
486 HE1 PHE 63 1HE PHE 63 -0.695 -10.256 -12.803
487 HE2 PHE 63 2HE PHE 63 1.746 -13.063 -14.951
488 HZ PHE 63 HZ PHE 63 -0.059 -11.361 -14.931
489 H GLY 64 H GLY 64 3.665 -12.833 -8.368
490 1HA GLY 64 2HA GLY 64 5.061 -13.637 -6.605
491 2HA GLY 64 1HA GLY 64 4.515 -15.279 -6.949
492 H ASP 65 H ASP 65 5.686 -13.086 -9.429
493 HA ASP 65 HA ASP 65 7.471 -13.344 -10.937
494 1HB ASP 65 2HB ASP 65 8.634 -12.710 -8.758
495 2HB ASP 65 1HB ASP 65 8.961 -14.429 -8.537
496 H VAL 66 H VAL 66 5.644 -15.536 -10.840
497 HA VAL 66 HA VAL 66 7.355 -17.614 -11.982
498 HB VAL 66 HB VAL 66 7.460 -18.151 -9.560
499 1HG1 VAL 66 1HG1 VAL 66 5.491 -18.653 -8.300
500 2HG1 VAL 66 2HG1 VAL 66 4.476 -18.618 -9.742
501 3HG1 VAL 66 3HG1 VAL 66 5.164 -17.121 -9.112
502 1HG2 VAL 66 1HG2 VAL 66 6.791 -20.482 -9.764
503 2HG2 VAL 66 2HG2 VAL 66 7.440 -19.948 -11.315
504 3HG2 VAL 66 3HG2 VAL 66 5.697 -20.089 -11.090
Start of MODEL 19
1 1H GLY 1 1HT GLY 1 7.717 28.733 -1.828
2 2H GLY 1 2HT GLY 1 9.213 29.492 -1.558
3 3H GLY 1 3HT GLY 1 8.893 27.969 -0.876
4 1HA GLY 1 2HA GLY 1 9.155 28.565 -3.774
5 2HA GLY 1 1HA GLY 1 10.344 27.725 -2.776
6 H SER 2 H SER 2 8.119 26.402 -1.233
7 HA SER 2 HA SER 2 6.495 24.839 -2.979
8 1HB SER 2 2HB SER 2 8.355 23.760 -3.916
9 2HB SER 2 1HB SER 2 9.256 23.792 -2.403
10 HG SER 2 HG SER 2 8.442 21.909 -2.002
11 H MET 3 H MET 3 4.896 24.415 -1.540
12 HA MET 3 HA MET 3 5.274 24.353 1.298
13 1HB MET 3 2HB MET 3 3.103 24.764 -0.059
14 2HB MET 3 1HB MET 3 2.970 23.007 -0.117
15 1HG MET 3 2HG MET 3 3.276 23.066 2.436
16 2HG MET 3 1HG MET 3 2.971 24.799 2.316
17 1HE MET 3 1HE MET 3 -0.539 25.267 1.256
18 2HE MET 3 2HE MET 3 1.117 25.742 0.890
19 3HE MET 3 3HE MET 3 0.558 25.738 2.561
20 H GLY 4 H GLY 4 3.412 21.734 1.089
21 1HA GLY 4 2HA GLY 4 5.165 19.575 0.458
22 2HA GLY 4 1HA GLY 4 5.318 19.932 2.179
23 H VAL 5 H VAL 5 4.051 18.601 3.362
24 HA VAL 5 HA VAL 5 2.228 17.299 4.013
25 HB VAL 5 HB VAL 5 1.049 19.641 2.609
26 1HG1 VAL 5 1HG1 VAL 5 -1.249 18.622 3.080
27 2HG1 VAL 5 2HG1 VAL 5 -0.429 17.059 3.133
28 3HG1 VAL 5 3HG1 VAL 5 -0.411 18.022 1.650
29 1HG2 VAL 5 1HG2 VAL 5 -0.257 19.678 4.771
30 2HG2 VAL 5 2HG2 VAL 5 1.495 19.780 4.985
31 3HG2 VAL 5 3HG2 VAL 5 0.654 18.254 5.277
32 HA PRO 6 HA PRO 6 2.060 14.540 0.492
33 1HB PRO 6 2HB PRO 6 1.483 12.348 2.171
34 2HB PRO 6 1HB PRO 6 3.091 12.846 1.642
35 1HG PRO 6 2HG PRO 6 1.994 13.015 4.307
36 2HG PRO 6 1HG PRO 6 3.604 13.478 3.757
37 1HD PRO 6 2HD PRO 6 1.313 15.191 4.376
38 2HD PRO 6 1HD PRO 6 2.999 15.640 4.102
39 H ILE 7 H ILE 7 0.396 13.055 -0.317
40 HA ILE 7 HA ILE 7 -2.274 13.494 0.921
41 HB ILE 7 HB ILE 7 -1.429 14.060 -1.915
42 1HG1 ILE 7 2HG1 ILE 7 -3.149 15.533 0.084
43 2HG1 ILE 7 1HG1 ILE 7 -1.427 15.811 -0.102
44 1HG2 ILE 7 1HG2 ILE 7 -3.322 12.705 -2.284
45 2HG2 ILE 7 2HG2 ILE 7 -3.997 14.333 -2.220
46 3HG2 ILE 7 3HG2 ILE 7 -4.121 13.269 -0.818
47 1HD1 ILE 7 1HD1 ILE 7 -3.040 17.384 -1.356
48 2HD1 ILE 7 2HD1 ILE 7 -3.323 16.018 -2.438
49 3HD1 ILE 7 3HD1 ILE 7 -1.702 16.695 -2.278
50 H CYS 8 H CYS 8 -3.143 11.610 1.321
51 HA CYS 8 HA CYS 8 -2.056 9.156 0.409
52 1HB CYS 8 2HB CYS 8 -3.286 9.232 2.488
53 2HB CYS 8 1HB CYS 8 -4.739 9.762 1.655
54 H GLY 9 H GLY 9 -2.237 8.232 -1.495
55 1HA GLY 9 2HA GLY 9 -3.930 9.232 -3.567
56 2HA GLY 9 1HA GLY 9 -3.038 7.715 -3.639
57 H ALA 10 H ALA 10 -4.699 7.480 -0.863
58 HA ALA 10 HA ALA 10 -6.735 5.757 -2.090
59 1HB ALA 10 1HB ALA 10 -7.007 4.823 0.027
60 2HB ALA 10 2HB ALA 10 -6.609 6.328 0.856
61 3HB ALA 10 3HB ALA 10 -5.335 5.366 0.111
62 H CYS 11 H CYS 11 -6.543 8.840 -0.424
63 HA CYS 11 HA CYS 11 -9.451 9.262 -1.004
64 1HB CYS 11 2HB CYS 11 -8.709 10.938 1.166
65 2HB CYS 11 1HB CYS 11 -9.806 9.568 1.219
66 H ARG 12 H ARG 12 -6.368 10.147 -1.784
67 HA ARG 12 HA ARG 12 -5.421 12.106 -2.667
68 1HB ARG 12 2HB ARG 12 -8.345 12.332 -3.422
69 2HB ARG 12 1HB ARG 12 -7.193 13.591 -3.863
70 1HG ARG 12 2HG ARG 12 -7.151 12.193 -5.742
71 2HG ARG 12 1HG ARG 12 -5.764 11.624 -4.818
72 1HD ARG 12 2HD ARG 12 -7.817 10.105 -3.769
73 2HD ARG 12 1HD ARG 12 -8.290 10.239 -5.459
74 HE ARG 12 HE ARG 12 -6.338 8.471 -4.541
75 1HH1 ARG 12 1HH2 ARG 12 -6.471 11.130 -6.744
76 2HH1 ARG 12 2HH2 ARG 12 -5.119 10.587 -7.676
77 1HH2 ARG 12 1HH1 ARG 12 -4.586 7.756 -5.754
78 2HH2 ARG 12 2HH1 ARG 12 -4.056 8.680 -7.121
79 H ARG 13 H ARG 13 -6.173 11.995 0.085
80 HA ARG 13 HA ARG 13 -6.957 14.816 0.666
81 1HB ARG 13 2HB ARG 13 -8.496 13.151 1.590
82 2HB ARG 13 1HB ARG 13 -7.154 12.294 2.345
83 1HG ARG 13 2HG ARG 13 -6.673 14.437 3.622
84 2HG ARG 13 1HG ARG 13 -8.222 15.038 3.029
85 1HD ARG 13 2HD ARG 13 -8.907 12.555 3.967
86 2HD ARG 13 1HD ARG 13 -7.651 13.026 5.108
87 HE ARG 13 HE ARG 13 -10.275 13.952 5.246
88 1HH1 ARG 13 1HH2 ARG 13 -7.146 15.359 4.831
89 2HH1 ARG 13 2HH2 ARG 13 -7.616 16.898 5.467
90 1HH2 ARG 13 1HH1 ARG 13 -10.888 15.947 6.082
91 2HH2 ARG 13 2HH1 ARG 13 -9.728 17.230 6.177
92 HA PRO 14 HA PRO 14 -2.766 15.490 1.859
93 1HB PRO 14 2HB PRO 14 -3.585 17.201 4.065
94 2HB PRO 14 1HB PRO 14 -2.796 17.635 2.548
95 1HG PRO 14 2HG PRO 14 -5.497 18.138 3.234
96 2HG PRO 14 1HG PRO 14 -4.734 18.384 1.656
97 1HD PRO 14 2HD PRO 14 -6.653 16.346 2.409
98 2HD PRO 14 1HD PRO 14 -5.957 16.655 0.813
99 H ILE 15 H ILE 15 -1.730 13.853 2.849
100 HA ILE 15 HA ILE 15 -2.797 12.515 5.197
101 HB ILE 15 HB ILE 15 -0.055 12.396 3.898
102 1HG1 ILE 15 2HG1 ILE 15 -1.967 10.117 3.945
103 2HG1 ILE 15 1HG1 ILE 15 -2.382 11.471 2.897
104 1HG2 ILE 15 1HG2 ILE 15 -0.098 10.145 5.288
105 2HG2 ILE 15 2HG2 ILE 15 -1.215 11.043 6.315
106 3HG2 ILE 15 3HG2 ILE 15 0.419 11.648 6.059
107 1HD1 ILE 15 1HD1 ILE 15 -0.884 9.542 1.946
108 2HD1 ILE 15 2HD1 ILE 15 0.406 10.344 2.848
109 3HD1 ILE 15 3HD1 ILE 15 -0.458 11.216 1.588
110 H GLU 16 H GLU 16 -1.674 12.486 7.345
111 HA GLU 16 HA GLU 16 0.173 14.682 7.927
112 1HB GLU 16 2HB GLU 16 -1.530 15.624 9.674
113 2HB GLU 16 1HB GLU 16 -1.678 16.112 7.986
114 1HG GLU 16 2HG GLU 16 -3.501 14.679 7.597
115 2HG GLU 16 1HG GLU 16 -3.152 13.696 9.020
116 H GLY 17 H GLY 17 0.941 12.328 8.435
117 1HA GLY 17 2HA GLY 17 1.263 12.091 11.257
118 2HA GLY 17 1HA GLY 17 0.064 10.911 10.726
119 H ARG 18 H ARG 18 0.723 9.158 9.569
120 HA ARG 18 HA ARG 18 3.654 8.932 9.002
121 1HB ARG 18 2HB ARG 18 1.675 6.744 9.705
122 2HB ARG 18 1HB ARG 18 3.383 6.506 9.329
123 1HG ARG 18 2HG ARG 18 3.937 8.058 11.228
124 2HG ARG 18 1HG ARG 18 2.229 8.034 11.663
125 1HD ARG 18 2HD ARG 18 2.794 5.349 11.395
126 2HD ARG 18 1HD ARG 18 4.298 5.972 12.068
127 HE ARG 18 HE ARG 18 2.022 5.469 13.599
128 1HH1 ARG 18 1HH2 ARG 18 3.966 8.224 12.838
129 2HH1 ARG 18 2HH2 ARG 18 3.540 9.078 14.280
130 1HH2 ARG 18 1HH1 ARG 18 1.472 6.571 15.479
131 2HH2 ARG 18 2HH1 ARG 18 2.135 8.144 15.775
132 H VAL 19 H VAL 19 4.129 8.601 6.886
133 HA VAL 19 HA VAL 19 1.821 8.147 5.036
134 HB VAL 19 HB VAL 19 4.516 9.405 4.456
135 1HG1 VAL 19 1HG1 VAL 19 2.865 10.311 2.533
136 2HG1 VAL 19 2HG1 VAL 19 2.097 8.753 2.830
137 3HG1 VAL 19 3HG1 VAL 19 3.793 8.821 2.344
138 1HG2 VAL 19 1HG2 VAL 19 3.579 11.496 4.823
139 2HG2 VAL 19 2HG2 VAL 19 2.733 10.566 6.057
140 3HG2 VAL 19 3HG2 VAL 19 1.939 10.925 4.525
141 H VAL 20 H VAL 20 2.245 6.952 3.070
142 HA VAL 20 HA VAL 20 4.467 4.967 3.290
143 HB VAL 20 HB VAL 20 1.541 4.515 2.731
144 1HG1 VAL 20 1HG1 VAL 20 2.366 3.445 0.825
145 2HG1 VAL 20 2HG1 VAL 20 2.465 2.144 2.012
146 3HG1 VAL 20 3HG1 VAL 20 3.911 3.061 1.585
147 1HG2 VAL 20 1HG2 VAL 20 3.535 2.806 4.231
148 2HG2 VAL 20 2HG2 VAL 20 1.776 2.784 4.354
149 3HG2 VAL 20 3HG2 VAL 20 2.688 4.150 4.994
150 H ASN 21 H ASN 21 5.776 5.342 1.566
151 HA ASN 21 HA ASN 21 4.669 6.741 -0.779
152 1HB ASN 21 2HB ASN 21 7.479 5.858 -0.114
153 2HB ASN 21 1HB ASN 21 7.036 6.805 -1.531
154 1HD2 ASN 21 1HD2 ASN 21 4.952 7.744 0.905
155 2HD2 ASN 21 2HD2 ASN 21 5.813 9.080 1.500
156 H ALA 22 H ALA 22 3.571 5.404 -2.126
157 HA ALA 22 HA ALA 22 5.040 3.070 -3.238
158 1HB ALA 22 1HB ALA 22 2.247 3.003 -2.063
159 2HB ALA 22 2HB ALA 22 3.642 2.058 -1.537
160 3HB ALA 22 3HB ALA 22 2.897 1.737 -3.104
161 H MET 23 H MET 23 4.130 2.433 -5.359
162 HA MET 23 HA MET 23 3.299 3.004 -7.478
163 1HB MET 23 2HB MET 23 1.283 4.718 -6.023
164 2HB MET 23 1HB MET 23 1.086 3.887 -7.564
165 1HG MET 23 2HG MET 23 1.555 2.387 -4.979
166 2HG MET 23 1HG MET 23 -0.058 2.804 -5.548
167 1HE MET 23 1HE MET 23 1.586 -1.023 -6.245
168 2HE MET 23 2HE MET 23 0.482 -0.245 -5.110
169 3HE MET 23 3HE MET 23 2.183 0.218 -5.132
170 H GLY 24 H GLY 24 5.071 4.785 -5.751
171 1HA GLY 24 2HA GLY 24 6.301 6.755 -6.183
172 2HA GLY 24 1HA GLY 24 5.405 6.902 -7.698
173 H LYS 25 H LYS 25 3.492 6.421 -4.944
174 HA LYS 25 HA LYS 25 2.774 9.331 -4.840
175 1HB LYS 25 2HB LYS 25 1.008 6.885 -4.500
176 2HB LYS 25 1HB LYS 25 0.474 8.548 -4.301
177 1HG LYS 25 2HG LYS 25 1.783 8.435 -6.820
178 2HG LYS 25 1HG LYS 25 0.735 7.019 -6.739
179 1HD LYS 25 2HD LYS 25 -1.135 8.549 -6.001
180 2HD LYS 25 1HD LYS 25 -0.073 9.912 -6.352
181 1HE LYS 25 2HE LYS 25 -1.597 9.362 -8.252
182 2HE LYS 25 1HE LYS 25 0.107 9.229 -8.684
183 1HZ LYS 25 1HZ LYS 25 -0.060 7.033 -8.977
184 2HZ LYS 25 2HZ LYS 25 -1.733 7.307 -9.079
185 3HZ LYS 25 3HZ LYS 25 -1.039 6.811 -7.610
186 H GLN 26 H GLN 26 0.962 8.925 -2.695
187 HA GLN 26 HA GLN 26 2.671 8.024 -0.425
188 1HB GLN 26 2HB GLN 26 1.342 10.700 -0.871
189 2HB GLN 26 1HB GLN 26 1.653 10.119 0.759
190 1HG GLN 26 2HG GLN 26 3.945 10.327 0.550
191 2HG GLN 26 1HG GLN 26 3.926 9.922 -1.162
192 1HE2 GLN 26 1HE2 GLN 26 1.573 12.267 -0.784
193 2HE2 GLN 26 2HE2 GLN 26 2.505 13.641 -1.124
194 H TRP 27 H TRP 27 1.341 7.090 1.270
195 HA TRP 27 HA TRP 27 -1.609 7.185 0.807
196 1HB TRP 27 2HB TRP 27 -0.028 4.628 1.171
197 2HB TRP 27 1HB TRP 27 -1.768 4.758 0.927
198 HD1 TRP 27 HD TRP 27 1.563 5.302 -0.910
199 HE1 TRP 27 1HE TRP 27 1.108 5.268 -3.450
200 HE3 TRP 27 3HE TRP 27 -3.512 5.028 -0.870
201 HZ2 TRP 27 2HZ TRP 27 -1.140 5.141 -5.227
202 HZ3 TRP 27 3HZ TRP 27 -4.799 4.949 -2.977
203 HH2 TRP 27 HH TRP 27 -3.619 5.007 -5.161
204 H HIS 28 H HIS 28 -2.813 7.078 2.736
205 HA HIS 28 HA HIS 28 -1.495 7.600 5.219
206 1HB HIS 28 2HB HIS 28 -4.229 6.443 4.595
207 2HB HIS 28 1HB HIS 28 -3.670 6.662 6.248
208 HD2 HIS 28 2HD HIS 28 -2.865 9.538 6.715
209 HE1 HIS 28 1HE HIS 28 -5.714 10.882 3.903
210 HE2 HIS 28 2HE HIS 28 -4.191 11.598 5.806
211 H VAL 29 H VAL 29 -0.636 6.119 6.729
212 HA VAL 29 HA VAL 29 0.195 3.570 5.833
213 HB VAL 29 HB VAL 29 -0.018 4.854 8.549
214 1HG1 VAL 29 1HG1 VAL 29 -0.432 2.580 9.112
215 2HG1 VAL 29 2HG1 VAL 29 1.303 2.796 9.341
216 3HG1 VAL 29 3HG1 VAL 29 0.699 1.992 7.892
217 1HG2 VAL 29 1HG2 VAL 29 2.337 4.967 8.373
218 2HG2 VAL 29 2HG2 VAL 29 1.773 5.344 6.745
219 3HG2 VAL 29 3HG2 VAL 29 2.392 3.734 7.121
220 H GLU 30 H GLU 30 -2.826 4.634 7.084
221 HA GLU 30 HA GLU 30 -3.664 1.878 7.746
222 1HB GLU 30 2HB GLU 30 -5.824 3.063 8.416
223 2HB GLU 30 1HB GLU 30 -4.392 3.465 9.365
224 1HG GLU 30 2HG GLU 30 -4.098 5.539 8.235
225 2HG GLU 30 1HG GLU 30 -5.229 5.089 6.958
226 H HIS 31 H HIS 31 -3.545 3.774 4.994
227 HA HIS 31 HA HIS 31 -5.987 2.441 3.867
228 1HB HIS 31 2HB HIS 31 -4.639 5.022 3.008
229 2HB HIS 31 1HB HIS 31 -5.991 4.267 2.169
230 HD2 HIS 31 2HD HIS 31 -7.353 3.494 5.323
231 HE1 HIS 31 1HE HIS 31 -8.008 7.659 5.281
232 HE2 HIS 31 2HE HIS 31 -8.659 5.477 6.395
233 H PHE 32 H PHE 32 -2.597 2.464 3.777
234 HA PHE 32 HA PHE 32 -2.414 1.672 0.961
235 1HB PHE 32 2HB PHE 32 -0.489 2.737 2.296
236 2HB PHE 32 1HB PHE 32 -0.303 1.163 3.071
237 HD1 PHE 32 1HD PHE 32 1.281 -0.254 2.105
238 HD2 PHE 32 2HD PHE 32 -0.881 2.481 -0.408
239 HE1 PHE 32 1HE PHE 32 2.496 -1.101 0.119
240 HE2 PHE 32 2HE PHE 32 0.333 1.627 -2.383
241 HZ PHE 32 HZ PHE 32 2.025 -0.166 -2.123
242 H VAL 33 H VAL 33 -3.471 -0.174 0.510
243 HA VAL 33 HA VAL 33 -2.931 -2.550 2.237
244 HB VAL 33 HB VAL 33 -5.262 -3.222 1.926
245 1HG1 VAL 33 1HG1 VAL 33 -4.448 -0.792 3.334
246 2HG1 VAL 33 2HG1 VAL 33 -5.534 -2.080 3.853
247 3HG1 VAL 33 3HG1 VAL 33 -6.151 -0.748 2.883
248 1HG2 VAL 33 1HG2 VAL 33 -5.423 -0.636 0.357
249 2HG2 VAL 33 2HG2 VAL 33 -6.839 -1.546 0.884
250 3HG2 VAL 33 3HG2 VAL 33 -5.699 -2.269 -0.253
251 H CYS 34 H CYS 34 -3.750 -4.556 1.093
252 HA CYS 34 HA CYS 34 -2.316 -4.961 -1.338
253 1HB CYS 34 2HB CYS 34 -2.711 -6.870 -0.055
254 2HB CYS 34 1HB CYS 34 -4.405 -6.489 0.190
255 H ALA 35 H ALA 35 -3.105 -5.196 -3.485
256 HA ALA 35 HA ALA 35 -5.536 -3.608 -4.040
257 1HB ALA 35 1HB ALA 35 -3.277 -3.342 -5.234
258 2HB ALA 35 2HB ALA 35 -4.710 -3.449 -6.263
259 3HB ALA 35 3HB ALA 35 -3.666 -4.855 -6.055
260 H LYS 36 H LYS 36 -5.642 -6.397 -2.921
261 HA LYS 36 HA LYS 36 -7.450 -7.533 -5.005
262 1HB LYS 36 2HB LYS 36 -5.288 -8.743 -5.141
263 2HB LYS 36 1HB LYS 36 -5.411 -9.141 -3.433
264 1HG LYS 36 2HG LYS 36 -6.176 -11.019 -4.830
265 2HG LYS 36 1HG LYS 36 -7.502 -10.373 -3.866
266 1HD LYS 36 2HD LYS 36 -8.556 -9.414 -5.707
267 2HD LYS 36 1HD LYS 36 -7.055 -9.272 -6.623
268 1HE LYS 36 2HE LYS 36 -7.042 -11.580 -7.170
269 2HE LYS 36 1HE LYS 36 -8.235 -11.964 -5.928
270 1HZ LYS 36 1HZ LYS 36 -9.907 -10.802 -7.151
271 2HZ LYS 36 2HZ LYS 36 -9.155 -11.905 -8.203
272 3HZ LYS 36 3HZ LYS 36 -8.777 -10.251 -8.290
273 H CYS 37 H CYS 37 -6.497 -7.330 -1.614
274 HA CYS 37 HA CYS 37 -9.230 -8.333 -0.877
275 1HB CYS 37 2HB CYS 37 -8.237 -9.400 1.086
276 2HB CYS 37 1HB CYS 37 -7.427 -9.972 -0.370
277 H GLU 38 H GLU 38 -6.838 -5.878 -0.544
278 HA GLU 38 HA GLU 38 -6.978 -3.816 0.503
279 1HB GLU 38 2HB GLU 38 -9.629 -4.573 1.716
280 2HB GLU 38 1HB GLU 38 -9.042 -2.979 1.252
281 1HG GLU 38 2HG GLU 38 -8.947 -4.111 -1.167
282 2HG GLU 38 1HG GLU 38 -10.191 -5.145 -0.464
283 H LYS 39 H LYS 39 -5.515 -5.778 1.712
284 HA LYS 39 HA LYS 39 -6.231 -5.632 4.598
285 1HB LYS 39 2HB LYS 39 -5.560 -7.838 3.412
286 2HB LYS 39 1HB LYS 39 -3.919 -7.195 3.455
287 1HG LYS 39 2HG LYS 39 -5.471 -7.071 6.003
288 2HG LYS 39 1HG LYS 39 -4.956 -8.661 5.469
289 1HD LYS 39 2HD LYS 39 -2.625 -7.840 5.278
290 2HD LYS 39 1HD LYS 39 -3.151 -6.261 5.864
291 1HE LYS 39 2HE LYS 39 -2.312 -7.396 7.784
292 2HE LYS 39 1HE LYS 39 -4.068 -7.497 7.913
293 1HZ LYS 39 1HZ LYS 39 -2.428 -9.601 8.073
294 2HZ LYS 39 2HZ LYS 39 -2.821 -9.638 6.421
295 3HZ LYS 39 3HZ LYS 39 -4.051 -9.700 7.591
296 HA PRO 40 HA PRO 40 -3.276 -2.233 4.378
297 1HB PRO 40 2HB PRO 40 -3.700 -1.578 7.076
298 2HB PRO 40 1HB PRO 40 -4.464 -0.811 5.702
299 1HG PRO 40 2HG PRO 40 -5.624 -2.609 7.652
300 2HG PRO 40 1HG PRO 40 -6.446 -1.719 6.376
301 1HD PRO 40 2HD PRO 40 -5.871 -4.535 6.468
302 2HD PRO 40 1HD PRO 40 -6.646 -3.644 5.149
303 H PHE 41 H PHE 41 -1.171 -2.165 4.830
304 HA PHE 41 HA PHE 41 -0.066 -4.193 6.719
305 1HB PHE 41 2HB PHE 41 1.710 -2.438 5.070
306 2HB PHE 41 1HB PHE 41 1.920 -4.123 5.536
307 HD1 PHE 41 1HD PHE 41 -0.014 -1.849 3.321
308 HD2 PHE 41 2HD PHE 41 1.175 -5.886 4.151
309 HE1 PHE 41 1HE PHE 41 -0.921 -2.568 1.125
310 HE2 PHE 41 2HE PHE 41 0.267 -6.604 1.969
311 HZ PHE 41 HZ PHE 41 -0.781 -4.953 0.450
312 H LEU 42 H LEU 42 -1.206 -2.403 8.248
313 HA LEU 42 HA LEU 42 -0.215 0.082 8.854
314 1HB LEU 42 2HB LEU 42 -1.024 -2.218 10.602
315 2HB LEU 42 1HB LEU 42 -0.331 -0.788 11.360
316 HG LEU 42 HG LEU 42 -2.037 0.628 10.275
317 1HD1 LEU 42 1HD1 LEU 42 -3.922 -0.602 9.097
318 2HD1 LEU 42 2HD1 LEU 42 -2.846 -2.002 9.055
319 3HD1 LEU 42 3HD1 LEU 42 -2.385 -0.508 8.232
320 1HD2 LEU 42 1HD2 LEU 42 -4.117 -0.525 11.312
321 2HD2 LEU 42 2HD2 LEU 42 -2.783 -0.127 12.397
322 3HD2 LEU 42 3HD2 LEU 42 -2.992 -1.783 11.825
323 H GLY 43 H GLY 43 1.269 -2.928 10.067
324 1HA GLY 43 2HA GLY 43 3.924 -1.558 9.972
325 2HA GLY 43 1HA GLY 43 3.435 -2.426 11.425
326 H HIS 44 H HIS 44 2.596 -3.510 8.199
327 HA HIS 44 HA HIS 44 4.381 -5.884 8.624
328 1HB HIS 44 2HB HIS 44 1.651 -5.575 7.405
329 2HB HIS 44 1HB HIS 44 2.690 -6.901 6.886
330 HD1 HIS 44 1HD HIS 44 1.411 -8.785 8.051
331 HD2 HIS 44 2HD HIS 44 2.536 -5.737 10.662
332 HE1 HIS 44 1HE HIS 44 0.958 -9.643 10.390
333 H ARG 45 H ARG 45 4.656 -6.996 6.286
334 HA ARG 45 HA ARG 45 5.971 -4.927 4.596
335 1HB ARG 45 2HB ARG 45 7.581 -6.550 4.937
336 2HB ARG 45 1HB ARG 45 6.392 -7.825 5.168
337 1HG ARG 45 2HG ARG 45 7.604 -8.257 3.116
338 2HG ARG 45 1HG ARG 45 5.959 -7.801 2.698
339 1HD ARG 45 2HD ARG 45 7.435 -6.604 1.226
340 2HD ARG 45 1HD ARG 45 6.795 -5.436 2.382
341 HE ARG 45 HE ARG 45 9.150 -6.296 3.557
342 1HH1 ARG 45 1HH2 ARG 45 8.200 -5.032 0.493
343 2HH1 ARG 45 2HH2 ARG 45 9.718 -4.253 0.195
344 1HH2 ARG 45 1HH1 ARG 45 11.137 -5.285 3.185
345 2HH2 ARG 45 2HH1 ARG 45 11.380 -4.396 1.719
346 H HIS 46 H HIS 46 5.086 -4.398 2.624
347 HA HIS 46 HA HIS 46 2.742 -5.999 1.704
348 1HB HIS 46 2HB HIS 46 2.483 -3.967 0.124
349 2HB HIS 46 1HB HIS 46 2.119 -3.736 1.826
350 HD1 HIS 46 1HD HIS 46 3.904 -2.435 3.269
351 HD2 HIS 46 2HD HIS 46 4.753 -2.581 -0.812
352 HE1 HIS 46 1HE HIS 46 5.735 -0.733 2.857
353 H TYR 47 H TYR 47 2.529 -5.897 -0.789
354 HA TYR 47 HA TYR 47 5.162 -6.392 -2.102
355 1HB TYR 47 2HB TYR 47 2.747 -8.164 -2.463
356 2HB TYR 47 1HB TYR 47 4.402 -8.495 -2.937
357 HD1 TYR 47 1HD TYR 47 5.876 -9.600 -1.437
358 HD2 TYR 47 2HD TYR 47 2.279 -7.795 0.065
359 HE1 TYR 47 1HE TYR 47 6.332 -10.521 0.822
360 HE2 TYR 47 2HE TYR 47 2.744 -8.720 2.306
361 HH TYR 47 HH TYR 47 5.738 -10.526 2.959
362 H GLU 48 H GLU 48 5.247 -5.551 -4.178
363 HA GLU 48 HA GLU 48 2.756 -4.219 -5.173
364 1HB GLU 48 2HB GLU 48 5.687 -3.597 -5.412
365 2HB GLU 48 1HB GLU 48 4.546 -2.949 -6.591
366 1HG GLU 48 2HG GLU 48 3.336 -1.764 -4.931
367 2HG GLU 48 1HG GLU 48 4.100 -2.660 -3.619
368 H ARG 49 H ARG 49 2.145 -4.389 -7.324
369 HA ARG 49 HA ARG 49 3.719 -6.072 -9.164
370 1HB ARG 49 2HB ARG 49 2.351 -7.706 -7.891
371 2HB ARG 49 1HB ARG 49 0.897 -6.840 -8.380
372 1HG ARG 49 2HG ARG 49 2.441 -7.319 -10.746
373 2HG ARG 49 1HG ARG 49 2.344 -8.837 -9.867
374 1HD ARG 49 2HD ARG 49 0.108 -7.133 -10.926
375 2HD ARG 49 1HD ARG 49 0.387 -8.850 -11.185
376 HE ARG 49 HE ARG 49 -1.239 -7.786 -9.152
377 1HH1 ARG 49 1HH2 ARG 49 1.410 -9.972 -9.480
378 2HH1 ARG 49 2HH2 ARG 49 1.190 -10.669 -7.912
379 1HH2 ARG 49 1HH1 ARG 49 -1.530 -8.681 -7.124
380 2HH2 ARG 49 2HH1 ARG 49 -0.488 -9.952 -6.590
381 H LYS 50 H LYS 50 3.542 -5.208 -11.156
382 HA LYS 50 HA LYS 50 2.792 -3.881 -12.916
383 1HB LYS 50 2HB LYS 50 0.175 -4.943 -11.822
384 2HB LYS 50 1HB LYS 50 0.280 -3.990 -13.299
385 1HG LYS 50 2HG LYS 50 2.120 -5.776 -13.959
386 2HG LYS 50 1HG LYS 50 1.293 -6.766 -12.757
387 1HD LYS 50 2HD LYS 50 -0.114 -5.385 -15.060
388 2HD LYS 50 1HD LYS 50 0.414 -7.066 -15.095
389 1HE LYS 50 2HE LYS 50 -1.888 -7.098 -14.433
390 2HE LYS 50 1HE LYS 50 -0.947 -7.417 -12.977
391 1HZ LYS 50 1HZ LYS 50 -2.834 -5.529 -13.170
392 2HZ LYS 50 2HZ LYS 50 -1.442 -4.621 -13.522
393 3HZ LYS 50 3HZ LYS 50 -1.551 -5.480 -12.061
394 H GLY 51 H GLY 51 3.048 -2.733 -10.140
395 1HA GLY 51 2HA GLY 51 2.895 -0.458 -9.466
396 2HA GLY 51 1HA GLY 51 1.825 -0.166 -10.834
397 H LEU 52 H LEU 52 1.344 -2.761 -8.567
398 HA LEU 52 HA LEU 52 -0.801 -1.265 -7.180
399 1HB LEU 52 2HB LEU 52 -1.176 -3.708 -8.891
400 2HB LEU 52 1HB LEU 52 -2.235 -3.432 -7.512
401 HG LEU 52 HG LEU 52 -1.760 -1.478 -9.782
402 1HD1 LEU 52 1HD1 LEU 52 -3.045 -3.248 -10.679
403 2HD1 LEU 52 2HD1 LEU 52 -4.252 -2.064 -10.173
404 3HD1 LEU 52 3HD1 LEU 52 -3.934 -3.482 -9.173
405 1HD2 LEU 52 1HD2 LEU 52 -2.465 -0.027 -8.159
406 2HD2 LEU 52 2HD2 LEU 52 -3.112 -1.315 -7.141
407 3HD2 LEU 52 3HD2 LEU 52 -4.057 -0.705 -8.501
408 H ALA 53 H ALA 53 -1.102 -1.971 -5.082
409 HA ALA 53 HA ALA 53 1.021 -3.638 -3.998
410 1HB ALA 53 1HB ALA 53 -1.404 -2.322 -2.767
411 2HB ALA 53 2HB ALA 53 0.283 -1.814 -2.628
412 3HB ALA 53 3HB ALA 53 -0.264 -3.291 -1.827
413 H TYR 54 H TYR 54 0.736 -5.599 -2.839
414 HA TYR 54 HA TYR 54 -1.853 -6.970 -2.976
415 1HB TYR 54 2HB TYR 54 0.578 -7.870 -4.518
416 2HB TYR 54 1HB TYR 54 -0.683 -8.990 -4.029
417 HD1 TYR 54 1HD TYR 54 0.249 -6.308 -6.271
418 HD2 TYR 54 2HD TYR 54 -3.022 -8.684 -4.836
419 HE1 TYR 54 1HE TYR 54 -1.091 -5.610 -8.201
420 HE2 TYR 54 2HE TYR 54 -4.387 -7.959 -6.798
421 HH TYR 54 HH TYR 54 -4.159 -7.062 -8.959
422 H CYS 55 H CYS 55 -1.996 -8.463 -1.259
423 HA CYS 55 HA CYS 55 -0.074 -8.287 0.812
424 1HB CYS 55 2HB CYS 55 -2.025 -10.532 0.197
425 2HB CYS 55 1HB CYS 55 -1.100 -10.414 1.689
426 H GLU 56 H GLU 56 1.105 -10.433 1.588
427 HA GLU 56 HA GLU 56 3.110 -11.099 -0.339
428 1HB GLU 56 2HB GLU 56 3.082 -11.347 2.295
429 2HB GLU 56 1HB GLU 56 2.457 -12.948 1.944
430 1HG GLU 56 2HG GLU 56 4.753 -12.342 0.245
431 2HG GLU 56 1HG GLU 56 5.165 -12.185 1.949
432 H THR 57 H THR 57 0.105 -12.662 0.609
433 HA THR 57 HA THR 57 0.632 -15.023 -1.046
434 HB THR 57 HB THR 57 -1.799 -14.184 0.548
435 HG1 THR 57 1HG THR 57 -0.983 -16.065 1.780
436 1HG2 THR 57 1HG2 THR 57 -1.179 -16.676 -1.048
437 2HG2 THR 57 2HG2 THR 57 -2.585 -15.620 -1.189
438 3HG2 THR 57 3HG2 THR 57 -2.393 -16.647 0.231
439 H HIS 58 H HIS 58 -1.624 -12.249 -1.173
440 HA HIS 58 HA HIS 58 -2.866 -13.186 -3.574
441 1HB HIS 58 2HB HIS 58 -2.664 -10.376 -2.473
442 2HB HIS 58 1HB HIS 58 -3.740 -10.884 -3.770
443 HD2 HIS 58 2HD HIS 58 -4.826 -13.698 -2.463
444 HE1 HIS 58 1HE HIS 58 -6.079 -11.342 0.806
445 HE2 HIS 58 2HE HIS 58 -6.344 -13.585 -0.348
446 H TYR 59 H TYR 59 -0.168 -10.984 -2.912
447 HA TYR 59 HA TYR 59 0.394 -10.156 -5.518
448 1HB TYR 59 2HB TYR 59 1.690 -9.339 -3.638
449 2HB TYR 59 1HB TYR 59 2.238 -10.956 -3.249
450 HD1 TYR 59 1HD TYR 59 1.936 -9.535 -6.664
451 HD2 TYR 59 2HD TYR 59 4.600 -10.678 -3.499
452 HE1 TYR 59 1HE TYR 59 3.838 -9.288 -8.182
453 HE2 TYR 59 2HE TYR 59 6.526 -10.407 -5.031
454 HH TYR 59 HH TYR 59 7.036 -9.128 -7.140
455 H ASN 60 H ASN 60 1.642 -12.921 -3.752
456 HA ASN 60 HA ASN 60 2.845 -14.124 -6.033
457 1HB ASN 60 2HB ASN 60 2.090 -15.146 -3.300
458 2HB ASN 60 1HB ASN 60 2.762 -16.229 -4.519
459 1HD2 ASN 60 1HD2 ASN 60 3.531 -13.674 -2.263
460 2HD2 ASN 60 2HD2 ASN 60 5.193 -13.608 -2.595
461 H GLN 61 H GLN 61 -0.277 -14.664 -4.400
462 HA GLN 61 HA GLN 61 -1.160 -16.846 -5.992
463 1HB GLN 61 2HB GLN 61 -2.401 -15.765 -4.014
464 2HB GLN 61 1HB GLN 61 -2.960 -14.557 -5.172
465 1HG GLN 61 2HG GLN 61 -4.155 -16.155 -6.441
466 2HG GLN 61 1HG GLN 61 -3.319 -17.508 -5.683
467 1HE2 GLN 61 1HE2 GLN 61 -4.533 -18.536 -4.097
468 2HE2 GLN 61 2HE2 GLN 61 -5.752 -17.803 -3.170
469 H LEU 62 H LEU 62 -1.111 -13.408 -6.563
470 HA LEU 62 HA LEU 62 -2.446 -13.527 -9.139
471 1HB LEU 62 2HB LEU 62 -1.001 -11.468 -7.523
472 2HB LEU 62 1HB LEU 62 -1.203 -11.169 -9.240
473 HG LEU 62 HG LEU 62 -3.733 -11.942 -8.573
474 1HD1 LEU 62 1HD1 LEU 62 -4.284 -10.621 -6.493
475 2HD1 LEU 62 2HD1 LEU 62 -2.554 -10.556 -6.165
476 3HD1 LEU 62 3HD1 LEU 62 -3.387 -12.114 -6.213
477 1HD2 LEU 62 1HD2 LEU 62 -3.237 -9.960 -9.866
478 2HD2 LEU 62 2HD2 LEU 62 -2.515 -9.175 -8.468
479 3HD2 LEU 62 3HD2 LEU 62 -4.248 -9.485 -8.503
480 H PHE 63 H PHE 63 0.889 -13.524 -8.009
481 HA PHE 63 HA PHE 63 1.779 -14.506 -10.640
482 1HB PHE 63 2HB PHE 63 2.394 -11.781 -9.567
483 2HB PHE 63 1HB PHE 63 3.659 -12.629 -10.450
484 HD1 PHE 63 1HD PHE 63 0.374 -11.051 -10.646
485 HD2 PHE 63 2HD PHE 63 3.357 -13.225 -12.829
486 HE1 PHE 63 1HE PHE 63 -0.737 -10.424 -12.778
487 HE2 PHE 63 2HE PHE 63 2.254 -12.603 -14.963
488 HZ PHE 63 HZ PHE 63 0.206 -11.202 -14.937
489 H GLY 64 H GLY 64 3.673 -12.853 -8.193
490 1HA GLY 64 2HA GLY 64 5.104 -13.752 -6.516
491 2HA GLY 64 1HA GLY 64 4.576 -15.373 -6.971
492 H ASP 65 H ASP 65 5.751 -13.012 -9.289
493 HA ASP 65 HA ASP 65 7.549 -13.152 -10.795
494 1HB ASP 65 2HB ASP 65 8.784 -14.089 -8.198
495 2HB ASP 65 1HB ASP 65 9.732 -13.878 -9.670
496 H VAL 66 H VAL 66 6.367 -14.882 -11.959
497 HA VAL 66 HA VAL 66 7.973 -17.370 -12.002
498 HB VAL 66 HB VAL 66 5.968 -18.800 -11.951
499 1HG1 VAL 66 1HG1 VAL 66 7.205 -18.100 -9.832
500 2HG1 VAL 66 2HG1 VAL 66 5.551 -18.666 -9.598
501 3HG1 VAL 66 3HG1 VAL 66 5.906 -16.939 -9.566
502 1HG2 VAL 66 1HG2 VAL 66 4.274 -17.356 -12.827
503 2HG2 VAL 66 2HG2 VAL 66 4.577 -16.136 -11.592
504 3HG2 VAL 66 3HG2 VAL 66 3.815 -17.664 -11.152
Start of MODEL 20
1 1H GLY 1 1HT GLY 1 11.713 21.570 -4.714
2 2H GLY 1 2HT GLY 1 13.229 21.408 -3.964
3 3H GLY 1 3HT GLY 1 12.559 22.950 -4.205
4 1HA GLY 1 2HA GLY 1 11.311 20.870 -2.499
5 2HA GLY 1 1HA GLY 1 12.390 22.121 -1.880
6 H SER 2 H SER 2 9.196 21.409 -2.300
7 HA SER 2 HA SER 2 8.375 24.135 -1.725
8 1HB SER 2 2HB SER 2 8.691 24.123 -4.248
9 2HB SER 2 1HB SER 2 7.383 22.947 -4.328
10 HG SER 2 HG SER 2 6.559 24.892 -2.767
11 H MET 3 H MET 3 7.803 20.773 -2.070
12 HA MET 3 HA MET 3 4.995 20.598 -1.776
13 1HB MET 3 2HB MET 3 7.020 18.783 -0.437
14 2HB MET 3 1HB MET 3 5.369 18.376 -0.905
15 1HG MET 3 2HG MET 3 6.022 18.878 -3.297
16 2HG MET 3 1HG MET 3 7.691 19.009 -2.744
17 1HE MET 3 1HE MET 3 8.895 16.814 -3.951
18 2HE MET 3 2HE MET 3 7.513 17.454 -4.835
19 3HE MET 3 3HE MET 3 7.693 15.713 -4.638
20 H GLY 4 H GLY 4 4.188 19.524 0.513
21 1HA GLY 4 2HA GLY 4 5.263 20.846 2.874
22 2HA GLY 4 1HA GLY 4 3.759 21.577 2.315
23 H VAL 5 H VAL 5 2.534 19.174 1.348
24 HA VAL 5 HA VAL 5 2.373 17.412 3.730
25 HB VAL 5 HB VAL 5 0.222 19.233 2.724
26 1HG1 VAL 5 1HG1 VAL 5 -0.167 16.366 3.561
27 2HG1 VAL 5 2HG1 VAL 5 -0.935 17.249 2.241
28 3HG1 VAL 5 3HG1 VAL 5 -1.394 17.574 3.915
29 1HG2 VAL 5 1HG2 VAL 5 1.029 18.089 5.411
30 2HG2 VAL 5 2HG2 VAL 5 -0.417 19.076 5.172
31 3HG2 VAL 5 3HG2 VAL 5 1.183 19.761 4.866
32 HA PRO 6 HA PRO 6 2.002 14.560 0.335
33 1HB PRO 6 2HB PRO 6 1.578 12.363 2.076
34 2HB PRO 6 1HB PRO 6 3.129 12.887 1.417
35 1HG PRO 6 2HG PRO 6 2.218 13.090 4.154
36 2HG PRO 6 1HG PRO 6 3.788 13.538 3.482
37 1HD PRO 6 2HD PRO 6 1.613 15.277 4.293
38 2HD PRO 6 1HD PRO 6 3.233 15.712 3.747
39 H ILE 7 H ILE 7 0.337 13.030 -0.404
40 HA ILE 7 HA ILE 7 -2.258 13.383 0.998
41 HB ILE 7 HB ILE 7 -1.616 14.063 -1.865
42 1HG1 ILE 7 2HG1 ILE 7 -3.261 15.386 0.293
43 2HG1 ILE 7 1HG1 ILE 7 -1.571 15.749 0.005
44 1HG2 ILE 7 1HG2 ILE 7 -4.185 14.231 -2.050
45 2HG2 ILE 7 2HG2 ILE 7 -4.229 13.176 -0.636
46 3HG2 ILE 7 3HG2 ILE 7 -3.483 12.616 -2.132
47 1HD1 ILE 7 1HD1 ILE 7 -2.026 16.760 -2.062
48 2HD1 ILE 7 2HD1 ILE 7 -3.388 17.272 -1.060
49 3HD1 ILE 7 3HD1 ILE 7 -3.588 15.953 -2.219
50 H CYS 8 H CYS 8 -3.080 11.490 1.388
51 HA CYS 8 HA CYS 8 -2.005 9.059 0.489
52 1HB CYS 8 2HB CYS 8 -3.292 9.108 2.506
53 2HB CYS 8 1HB CYS 8 -4.705 9.715 1.656
54 H GLY 9 H GLY 9 -2.028 8.269 -1.496
55 1HA GLY 9 2HA GLY 9 -3.702 9.217 -3.596
56 2HA GLY 9 1HA GLY 9 -2.737 7.744 -3.667
57 H ALA 10 H ALA 10 -4.533 7.404 -0.961
58 HA ALA 10 HA ALA 10 -6.407 5.592 -2.317
59 1HB ALA 10 1HB ALA 10 -6.552 6.106 0.625
60 2HB ALA 10 2HB ALA 10 -5.109 5.314 -0.001
61 3HB ALA 10 3HB ALA 10 -6.690 4.584 -0.255
62 H CYS 11 H CYS 11 -6.687 8.324 -0.046
63 HA CYS 11 HA CYS 11 -9.479 8.738 -1.048
64 1HB CYS 11 2HB CYS 11 -9.602 10.150 1.141
65 2HB CYS 11 1HB CYS 11 -9.642 8.392 1.275
66 H ARG 12 H ARG 12 -6.466 9.832 -1.629
67 HA ARG 12 HA ARG 12 -5.582 11.853 -2.400
68 1HB ARG 12 2HB ARG 12 -8.523 12.206 -3.053
69 2HB ARG 12 1HB ARG 12 -7.278 13.340 -3.573
70 1HG ARG 12 2HG ARG 12 -7.243 10.372 -4.191
71 2HG ARG 12 1HG ARG 12 -7.836 11.607 -5.302
72 1HD ARG 12 2HD ARG 12 -5.372 12.621 -4.602
73 2HD ARG 12 1HD ARG 12 -5.058 10.888 -4.601
74 HE ARG 12 HE ARG 12 -5.181 12.425 -6.922
75 1HH1 ARG 12 1HH2 ARG 12 -6.906 9.731 -5.615
76 2HH1 ARG 12 2HH2 ARG 12 -7.408 9.143 -7.162
77 1HH2 ARG 12 1HH1 ARG 12 -5.822 11.659 -8.935
78 2HH2 ARG 12 2HH1 ARG 12 -6.793 10.228 -9.039
79 H ARG 13 H ARG 13 -6.042 11.700 0.356
80 HA ARG 13 HA ARG 13 -6.987 14.460 1.014
81 1HB ARG 13 2HB ARG 13 -7.084 11.867 2.544
82 2HB ARG 13 1HB ARG 13 -7.133 13.408 3.398
83 1HG ARG 13 2HG ARG 13 -9.060 14.074 1.914
84 2HG ARG 13 1HG ARG 13 -9.073 12.426 1.289
85 1HD ARG 13 2HD ARG 13 -9.034 12.074 4.055
86 2HD ARG 13 1HD ARG 13 -10.110 13.451 3.824
87 HE ARG 13 HE ARG 13 -10.970 11.618 1.934
88 1HH1 ARG 13 1HH2 ARG 13 -10.366 11.623 5.328
89 2HH1 ARG 13 2HH2 ARG 13 -11.578 10.437 5.680
90 1HH2 ARG 13 1HH1 ARG 13 -12.557 10.070 2.375
91 2HH2 ARG 13 2HH1 ARG 13 -12.819 9.558 4.009
92 HA PRO 14 HA PRO 14 -2.811 15.415 2.029
93 1HB PRO 14 2HB PRO 14 -3.592 17.017 4.313
94 2HB PRO 14 1HB PRO 14 -3.023 17.561 2.732
95 1HG PRO 14 2HG PRO 14 -5.680 17.730 3.738
96 2HG PRO 14 1HG PRO 14 -5.103 18.160 2.119
97 1HD PRO 14 2HD PRO 14 -6.733 15.884 2.873
98 2HD PRO 14 1HD PRO 14 -6.188 16.360 1.250
99 H ILE 15 H ILE 15 -1.658 13.759 2.925
100 HA ILE 15 HA ILE 15 -2.570 12.357 5.295
101 HB ILE 15 HB ILE 15 0.141 12.336 3.921
102 1HG1 ILE 15 2HG1 ILE 15 -1.839 10.097 3.840
103 2HG1 ILE 15 1HG1 ILE 15 -2.144 11.506 2.829
104 1HG2 ILE 15 1HG2 ILE 15 0.588 11.474 6.062
105 2HG2 ILE 15 2HG2 ILE 15 0.162 10.021 5.150
106 3HG2 ILE 15 3HG2 ILE 15 -1.023 10.775 6.216
107 1HD1 ILE 15 1HD1 ILE 15 -0.655 9.464 1.958
108 2HD1 ILE 15 2HD1 ILE 15 0.615 10.358 2.797
109 3HD1 ILE 15 3HD1 ILE 15 -0.294 11.127 1.501
110 H GLU 16 H GLU 16 -1.393 12.329 7.398
111 HA GLU 16 HA GLU 16 0.412 14.572 7.959
112 1HB GLU 16 2HB GLU 16 -1.255 15.437 9.768
113 2HB GLU 16 1HB GLU 16 -1.500 15.924 8.090
114 1HG GLU 16 2HG GLU 16 -3.263 14.380 7.775
115 2HG GLU 16 1HG GLU 16 -2.828 13.459 9.215
116 H GLY 17 H GLY 17 1.249 12.207 8.402
117 1HA GLY 17 2HA GLY 17 1.694 11.957 11.203
118 2HA GLY 17 1HA GLY 17 0.482 10.767 10.723
119 H ARG 18 H ARG 18 1.108 9.018 9.541
120 HA ARG 18 HA ARG 18 4.019 8.813 8.872
121 1HB ARG 18 2HB ARG 18 2.008 6.723 9.728
122 2HB ARG 18 1HB ARG 18 3.538 6.308 8.951
123 1HG ARG 18 2HG ARG 18 4.731 7.606 10.730
124 2HG ARG 18 1HG ARG 18 3.183 7.819 11.548
125 1HD ARG 18 2HD ARG 18 3.016 5.569 12.112
126 2HD ARG 18 1HD ARG 18 4.036 5.051 10.768
127 HE ARG 18 HE ARG 18 5.763 6.499 12.356
128 1HH1 ARG 18 1HH2 ARG 18 3.538 3.911 12.826
129 2HH1 ARG 18 2HH2 ARG 18 4.451 3.181 14.104
130 1HH2 ARG 18 1HH1 ARG 18 6.970 5.561 14.024
131 2HH2 ARG 18 2HH1 ARG 18 6.393 4.115 14.782
132 H VAL 19 H VAL 19 4.400 8.740 6.727
133 HA VAL 19 HA VAL 19 2.074 8.288 4.917
134 HB VAL 19 HB VAL 19 4.790 9.494 4.321
135 1HG1 VAL 19 1HG1 VAL 19 3.088 10.440 2.429
136 2HG1 VAL 19 2HG1 VAL 19 2.379 8.849 2.698
137 3HG1 VAL 19 3HG1 VAL 19 4.065 8.987 2.200
138 1HG2 VAL 19 1HG2 VAL 19 3.835 11.617 4.623
139 2HG2 VAL 19 2HG2 VAL 19 3.141 10.700 5.958
140 3HG2 VAL 19 3HG2 VAL 19 2.190 10.997 4.504
141 H VAL 20 H VAL 20 2.283 6.932 3.082
142 HA VAL 20 HA VAL 20 4.511 4.937 3.256
143 HB VAL 20 HB VAL 20 1.586 4.594 2.606
144 1HG1 VAL 20 1HG1 VAL 20 2.421 3.382 0.810
145 2HG1 VAL 20 2HG1 VAL 20 2.492 2.148 2.067
146 3HG1 VAL 20 3HG1 VAL 20 3.949 3.039 1.621
147 1HG2 VAL 20 1HG2 VAL 20 3.537 3.148 4.419
148 2HG2 VAL 20 2HG2 VAL 20 1.839 2.714 4.213
149 3HG2 VAL 20 3HG2 VAL 20 2.273 4.267 4.925
150 H ASN 21 H ASN 21 5.858 5.319 1.561
151 HA ASN 21 HA ASN 21 4.810 6.715 -0.810
152 1HB ASN 21 2HB ASN 21 7.566 5.876 0.063
153 2HB ASN 21 1HB ASN 21 7.256 6.573 -1.524
154 1HD2 ASN 21 1HD2 ASN 21 5.657 7.457 1.559
155 2HD2 ASN 21 2HD2 ASN 21 6.207 9.064 1.565
156 H ALA 22 H ALA 22 3.716 5.394 -2.169
157 HA ALA 22 HA ALA 22 5.173 3.068 -3.296
158 1HB ALA 22 1HB ALA 22 3.667 2.253 -1.426
159 2HB ALA 22 2HB ALA 22 3.304 1.566 -3.009
160 3HB ALA 22 3HB ALA 22 2.298 2.860 -2.358
161 H MET 23 H MET 23 4.182 2.411 -5.397
162 HA MET 23 HA MET 23 3.309 2.999 -7.497
163 1HB MET 23 2HB MET 23 1.363 4.743 -5.979
164 2HB MET 23 1HB MET 23 1.114 3.945 -7.529
165 1HG MET 23 2HG MET 23 1.581 2.420 -4.953
166 2HG MET 23 1HG MET 23 -0.023 2.832 -5.553
167 1HE MET 23 1HE MET 23 1.524 -1.007 -6.190
168 2HE MET 23 2HE MET 23 0.392 -0.180 -5.119
169 3HE MET 23 3HE MET 23 2.111 0.213 -5.050
170 H GLY 24 H GLY 24 5.132 4.753 -5.781
171 1HA GLY 24 2HA GLY 24 6.385 6.710 -6.210
172 2HA GLY 24 1HA GLY 24 5.503 6.853 -7.734
173 H LYS 25 H LYS 25 3.658 6.416 -4.906
174 HA LYS 25 HA LYS 25 2.897 9.316 -4.866
175 1HB LYS 25 2HB LYS 25 1.159 6.858 -4.497
176 2HB LYS 25 1HB LYS 25 0.609 8.516 -4.296
177 1HG LYS 25 2HG LYS 25 1.849 8.506 -6.811
178 2HG LYS 25 1HG LYS 25 0.971 6.978 -6.748
179 1HD LYS 25 2HD LYS 25 -0.645 8.474 -7.570
180 2HD LYS 25 1HD LYS 25 -1.014 8.407 -5.852
181 1HE LYS 25 2HE LYS 25 0.227 10.473 -5.465
182 2HE LYS 25 1HE LYS 25 0.728 10.519 -7.155
183 1HZ LYS 25 1HZ LYS 25 -1.939 10.302 -7.363
184 2HZ LYS 25 2HZ LYS 25 -1.088 11.772 -7.412
185 3HZ LYS 25 3HZ LYS 25 -1.797 11.244 -5.960
186 H GLN 26 H GLN 26 1.069 8.871 -2.731
187 HA GLN 26 HA GLN 26 2.776 8.048 -0.431
188 1HB GLN 26 2HB GLN 26 1.355 10.680 -0.901
189 2HB GLN 26 1HB GLN 26 1.761 10.137 0.722
190 1HG GLN 26 2HG GLN 26 4.022 10.464 0.412
191 2HG GLN 26 1HG GLN 26 3.964 9.964 -1.272
192 1HE2 GLN 26 1HE2 GLN 26 1.532 12.252 -0.874
193 2HE2 GLN 26 2HE2 GLN 26 2.394 13.634 -1.345
194 H TRP 27 H TRP 27 1.443 7.033 1.214
195 HA TRP 27 HA TRP 27 -1.505 7.114 0.718
196 1HB TRP 27 2HB TRP 27 0.096 4.569 1.078
197 2HB TRP 27 1HB TRP 27 -1.640 4.686 0.809
198 HD1 TRP 27 HD TRP 27 1.711 5.291 -0.973
199 HE1 TRP 27 1HE TRP 27 1.296 5.266 -3.519
200 HE3 TRP 27 3HE TRP 27 -3.356 4.933 -1.015
201 HZ2 TRP 27 2HZ TRP 27 -0.918 5.119 -5.332
202 HZ3 TRP 27 3HZ TRP 27 -4.605 4.851 -3.142
203 HH2 TRP 27 HH TRP 27 -3.397 4.944 -5.305
204 H HIS 28 H HIS 28 -2.734 7.001 2.617
205 HA HIS 28 HA HIS 28 -1.467 7.501 5.132
206 1HB HIS 28 2HB HIS 28 -4.196 6.419 4.395
207 2HB HIS 28 1HB HIS 28 -3.693 6.518 6.078
208 HD2 HIS 28 2HD HIS 28 -2.729 9.356 6.669
209 HE1 HIS 28 1HE HIS 28 -5.622 10.927 4.024
210 HE2 HIS 28 2HE HIS 28 -4.017 11.497 5.908
211 H VAL 29 H VAL 29 -0.614 6.033 6.634
212 HA VAL 29 HA VAL 29 0.243 3.485 5.785
213 HB VAL 29 HB VAL 29 -0.102 4.756 8.496
214 1HG1 VAL 29 1HG1 VAL 29 1.227 2.712 9.323
215 2HG1 VAL 29 2HG1 VAL 29 0.681 1.910 7.850
216 3HG1 VAL 29 3HG1 VAL 29 -0.498 2.479 9.033
217 1HG2 VAL 29 1HG2 VAL 29 2.351 3.723 7.056
218 2HG2 VAL 29 2HG2 VAL 29 2.297 4.794 8.450
219 3HG2 VAL 29 3HG2 VAL 29 1.749 5.373 6.872
220 H GLU 30 H GLU 30 -2.828 4.533 6.932
221 HA GLU 30 HA GLU 30 -3.675 1.786 7.600
222 1HB GLU 30 2HB GLU 30 -5.777 3.832 7.593
223 2HB GLU 30 1HB GLU 30 -5.270 2.751 8.890
224 1HG GLU 30 2HG GLU 30 -3.894 5.329 8.080
225 2HG GLU 30 1HG GLU 30 -4.867 5.080 9.528
226 H HIS 31 H HIS 31 -4.021 4.143 5.019
227 HA HIS 31 HA HIS 31 -6.162 2.525 3.759
228 1HB HIS 31 2HB HIS 31 -4.859 5.091 2.793
229 2HB HIS 31 1HB HIS 31 -6.308 4.338 2.128
230 HD2 HIS 31 2HD HIS 31 -7.409 3.663 5.367
231 HE1 HIS 31 1HE HIS 31 -7.868 7.855 5.392
232 HE2 HIS 31 2HE HIS 31 -8.533 5.698 6.546
233 H PHE 32 H PHE 32 -2.792 2.514 3.763
234 HA PHE 32 HA PHE 32 -2.549 1.750 0.933
235 1HB PHE 32 2HB PHE 32 -0.655 2.844 2.293
236 2HB PHE 32 1HB PHE 32 -0.460 1.273 3.072
237 HD1 PHE 32 1HD PHE 32 1.142 -0.139 2.125
238 HD2 PHE 32 2HD PHE 32 -1.000 2.591 -0.412
239 HE1 PHE 32 1HE PHE 32 2.387 -0.979 0.151
240 HE2 PHE 32 2HE PHE 32 0.242 1.745 -2.372
241 HZ PHE 32 HZ PHE 32 1.939 -0.041 -2.094
242 H VAL 33 H VAL 33 -3.581 -0.113 0.482
243 HA VAL 33 HA VAL 33 -3.034 -2.471 2.231
244 HB VAL 33 HB VAL 33 -5.354 -3.170 1.918
245 1HG1 VAL 33 1HG1 VAL 33 -6.267 -0.675 2.823
246 2HG1 VAL 33 2HG1 VAL 33 -4.573 -0.724 3.303
247 3HG1 VAL 33 3HG1 VAL 33 -5.674 -2.001 3.818
248 1HG2 VAL 33 1HG2 VAL 33 -5.532 -0.614 0.301
249 2HG2 VAL 33 2HG2 VAL 33 -6.942 -1.523 0.841
250 3HG2 VAL 33 3HG2 VAL 33 -5.794 -2.260 -0.278
251 H CYS 34 H CYS 34 -3.853 -4.488 1.091
252 HA CYS 34 HA CYS 34 -2.393 -4.897 -1.331
253 1HB CYS 34 2HB CYS 34 -2.761 -6.802 -0.028
254 2HB CYS 34 1HB CYS 34 -4.463 -6.442 0.208
255 H ALA 35 H ALA 35 -3.184 -5.160 -3.483
256 HA ALA 35 HA ALA 35 -5.651 -3.621 -4.030
257 1HB ALA 35 1HB ALA 35 -3.395 -3.303 -5.221
258 2HB ALA 35 2HB ALA 35 -4.831 -3.424 -6.246
259 3HB ALA 35 3HB ALA 35 -3.764 -4.815 -6.055
260 H LYS 36 H LYS 36 -5.726 -6.391 -2.906
261 HA LYS 36 HA LYS 36 -7.483 -7.583 -5.004
262 1HB LYS 36 2HB LYS 36 -5.311 -8.769 -5.097
263 2HB LYS 36 1HB LYS 36 -5.432 -9.127 -3.381
264 1HG LYS 36 2HG LYS 36 -6.157 -11.058 -4.696
265 2HG LYS 36 1HG LYS 36 -7.525 -10.388 -3.812
266 1HD LYS 36 2HD LYS 36 -8.493 -9.476 -5.739
267 2HD LYS 36 1HD LYS 36 -6.963 -9.447 -6.615
268 1HE LYS 36 2HE LYS 36 -8.633 -11.252 -7.325
269 2HE LYS 36 1HE LYS 36 -7.001 -11.806 -6.956
270 1HZ LYS 36 1HZ LYS 36 -8.636 -11.728 -4.627
271 2HZ LYS 36 2HZ LYS 36 -7.752 -13.024 -5.279
272 3HZ LYS 36 3HZ LYS 36 -9.329 -12.708 -5.825
273 H CYS 37 H CYS 37 -6.592 -7.300 -1.605
274 HA CYS 37 HA CYS 37 -9.323 -8.319 -0.888
275 1HB CYS 37 2HB CYS 37 -8.322 -9.326 1.129
276 2HB CYS 37 1HB CYS 37 -7.563 -9.964 -0.328
277 H GLU 38 H GLU 38 -6.898 -5.886 -0.506
278 HA GLU 38 HA GLU 38 -7.060 -3.804 0.504
279 1HB GLU 38 2HB GLU 38 -9.724 -4.537 1.701
280 2HB GLU 38 1HB GLU 38 -9.129 -2.952 1.215
281 1HG GLU 38 2HG GLU 38 -9.017 -4.166 -1.182
282 2HG GLU 38 1HG GLU 38 -10.310 -5.125 -0.459
283 H LYS 39 H LYS 39 -5.618 -5.764 1.736
284 HA LYS 39 HA LYS 39 -6.359 -5.614 4.616
285 1HB LYS 39 2HB LYS 39 -5.562 -7.783 3.288
286 2HB LYS 39 1HB LYS 39 -3.964 -7.133 3.642
287 1HG LYS 39 2HG LYS 39 -5.478 -6.930 6.049
288 2HG LYS 39 1HG LYS 39 -5.776 -8.537 5.404
289 1HD LYS 39 2HD LYS 39 -2.992 -7.382 5.672
290 2HD LYS 39 1HD LYS 39 -3.761 -8.325 6.946
291 1HE LYS 39 2HE LYS 39 -3.570 -9.374 4.124
292 2HE LYS 39 1HE LYS 39 -2.261 -9.605 5.281
293 1HZ LYS 39 1HZ LYS 39 -4.048 -10.501 6.813
294 2HZ LYS 39 2HZ LYS 39 -3.602 -11.483 5.501
295 3HZ LYS 39 3HZ LYS 39 -5.044 -10.586 5.443
296 HA PRO 40 HA PRO 40 -3.426 -2.178 4.367
297 1HB PRO 40 2HB PRO 40 -3.875 -1.509 7.062
298 2HB PRO 40 1HB PRO 40 -4.606 -0.737 5.674
299 1HG PRO 40 2HG PRO 40 -5.818 -2.519 7.608
300 2HG PRO 40 1HG PRO 40 -6.610 -1.619 6.319
301 1HD PRO 40 2HD PRO 40 -6.092 -4.439 6.421
302 2HD PRO 40 1HD PRO 40 -6.800 -3.531 5.074
303 H PHE 41 H PHE 41 -1.326 -2.084 4.848
304 HA PHE 41 HA PHE 41 -0.226 -4.112 6.741
305 1HB PHE 41 2HB PHE 41 1.552 -2.330 5.121
306 2HB PHE 41 1HB PHE 41 1.777 -4.013 5.586
307 HD1 PHE 41 1HD PHE 41 -0.147 -1.757 3.345
308 HD2 PHE 41 2HD PHE 41 1.066 -5.785 4.193
309 HE1 PHE 41 1HE PHE 41 -1.014 -2.483 1.136
310 HE2 PHE 41 2HE PHE 41 0.196 -6.510 1.997
311 HZ PHE 41 HZ PHE 41 -0.843 -4.868 0.462
312 H LEU 42 H LEU 42 -1.402 -2.330 8.261
313 HA LEU 42 HA LEU 42 -0.428 0.153 8.893
314 1HB LEU 42 2HB LEU 42 -1.262 -2.154 10.618
315 2HB LEU 42 1HB LEU 42 -0.576 -0.730 11.394
316 HG LEU 42 HG LEU 42 -2.265 0.695 10.293
317 1HD1 LEU 42 1HD1 LEU 42 -4.136 -0.529 9.084
318 2HD1 LEU 42 2HD1 LEU 42 -3.057 -1.927 9.047
319 3HD1 LEU 42 3HD1 LEU 42 -2.589 -0.427 8.239
320 1HD2 LEU 42 1HD2 LEU 42 -3.036 -0.074 12.402
321 2HD2 LEU 42 2HD2 LEU 42 -3.247 -1.723 11.813
322 3HD2 LEU 42 3HD2 LEU 42 -4.359 -0.455 11.298
323 H GLY 43 H GLY 43 1.046 -2.858 10.109
324 1HA GLY 43 2HA GLY 43 3.698 -1.484 10.061
325 2HA GLY 43 1HA GLY 43 3.189 -2.360 11.504
326 H HIS 44 H HIS 44 2.395 -3.430 8.262
327 HA HIS 44 HA HIS 44 4.188 -5.798 8.696
328 1HB HIS 44 2HB HIS 44 1.456 -5.506 7.477
329 2HB HIS 44 1HB HIS 44 2.503 -6.822 6.950
330 HD1 HIS 44 1HD HIS 44 1.279 -8.736 8.109
331 HD2 HIS 44 2HD HIS 44 2.312 -5.663 10.729
332 HE1 HIS 44 1HE HIS 44 0.827 -9.604 10.445
333 H ARG 45 H ARG 45 4.416 -6.908 6.328
334 HA ARG 45 HA ARG 45 5.763 -4.838 4.663
335 1HB ARG 45 2HB ARG 45 7.345 -6.496 4.995
336 2HB ARG 45 1HB ARG 45 6.134 -7.758 5.184
337 1HG ARG 45 2HG ARG 45 7.325 -8.184 3.135
338 2HG ARG 45 1HG ARG 45 5.718 -7.623 2.698
339 1HD ARG 45 2HD ARG 45 7.294 -6.469 1.296
340 2HD ARG 45 1HD ARG 45 6.685 -5.302 2.470
341 HE ARG 45 HE ARG 45 8.961 -6.320 3.675
342 1HH1 ARG 45 1HH2 ARG 45 8.156 -4.911 0.633
343 2HH1 ARG 45 2HH2 ARG 45 9.718 -4.203 0.397
344 1HH2 ARG 45 1HH1 ARG 45 11.007 -5.403 3.384
345 2HH2 ARG 45 2HH1 ARG 45 11.332 -4.481 1.953
346 H HIS 46 H HIS 46 5.033 -4.396 2.586
347 HA HIS 46 HA HIS 46 2.619 -5.918 1.679
348 1HB HIS 46 2HB HIS 46 2.344 -3.870 0.143
349 2HB HIS 46 1HB HIS 46 2.017 -3.642 1.854
350 HD1 HIS 46 1HD HIS 46 3.821 -2.338 3.259
351 HD2 HIS 46 2HD HIS 46 4.619 -2.511 -0.832
352 HE1 HIS 46 1HE HIS 46 5.656 -0.649 2.814
353 H TYR 47 H TYR 47 2.421 -5.864 -0.791
354 HA TYR 47 HA TYR 47 5.072 -6.298 -2.095
355 1HB TYR 47 2HB TYR 47 2.687 -8.108 -2.464
356 2HB TYR 47 1HB TYR 47 4.347 -8.412 -2.935
357 HD1 TYR 47 1HD TYR 47 5.816 -9.529 -1.441
358 HD2 TYR 47 2HD TYR 47 2.227 -7.719 0.075
359 HE1 TYR 47 1HE TYR 47 6.281 -10.447 0.818
360 HE2 TYR 47 2HE TYR 47 2.703 -8.640 2.315
361 HH TYR 47 HH TYR 47 5.733 -10.330 2.995
362 H GLU 48 H GLU 48 5.128 -5.605 -4.260
363 HA GLU 48 HA GLU 48 2.657 -4.204 -5.212
364 1HB GLU 48 2HB GLU 48 5.597 -3.672 -5.555
365 2HB GLU 48 1HB GLU 48 4.425 -2.989 -6.684
366 1HG GLU 48 2HG GLU 48 3.349 -1.741 -4.995
367 2HG GLU 48 1HG GLU 48 4.080 -2.690 -3.701
368 H ARG 49 H ARG 49 2.060 -4.305 -7.382
369 HA ARG 49 HA ARG 49 3.492 -6.066 -9.248
370 1HB ARG 49 2HB ARG 49 2.285 -7.843 -8.330
371 2HB ARG 49 1HB ARG 49 0.912 -6.836 -7.944
372 1HG ARG 49 2HG ARG 49 0.108 -8.055 -9.769
373 2HG ARG 49 1HG ARG 49 0.666 -6.579 -10.531
374 1HD ARG 49 2HD ARG 49 2.290 -9.109 -10.269
375 2HD ARG 49 1HD ARG 49 1.437 -8.601 -11.725
376 HE ARG 49 HE ARG 49 3.045 -6.444 -11.154
377 1HH1 ARG 49 1HH2 ARG 49 3.500 -9.841 -11.499
378 2HH1 ARG 49 2HH2 ARG 49 5.115 -9.699 -12.107
379 1HH2 ARG 49 1HH1 ARG 49 5.153 -6.235 -11.946
380 2HH2 ARG 49 2HH1 ARG 49 6.052 -7.656 -12.360
381 H LYS 50 H LYS 50 3.241 -5.219 -11.261
382 HA LYS 50 HA LYS 50 2.463 -3.840 -12.975
383 1HB LYS 50 2HB LYS 50 -0.232 -4.562 -11.785
384 2HB LYS 50 1HB LYS 50 0.064 -3.997 -13.427
385 1HG LYS 50 2HG LYS 50 1.713 -6.324 -12.765
386 2HG LYS 50 1HG LYS 50 -0.006 -6.671 -12.593
387 1HD LYS 50 2HD LYS 50 -0.412 -5.817 -14.871
388 2HD LYS 50 1HD LYS 50 1.308 -5.464 -15.048
389 1HE LYS 50 2HE LYS 50 0.898 -7.597 -16.100
390 2HE LYS 50 1HE LYS 50 1.768 -7.906 -14.598
391 1HZ LYS 50 1HZ LYS 50 -0.035 -9.422 -14.714
392 2HZ LYS 50 2HZ LYS 50 -1.145 -8.189 -15.081
393 3HZ LYS 50 3HZ LYS 50 -0.437 -8.268 -13.538
394 H GLY 51 H GLY 51 2.871 -2.738 -10.186
395 1HA GLY 51 2HA GLY 51 2.812 -0.480 -9.452
396 2HA GLY 51 1HA GLY 51 1.740 -0.112 -10.801
397 H LEU 52 H LEU 52 1.183 -2.745 -8.609
398 HA LEU 52 HA LEU 52 -0.921 -1.215 -7.183
399 1HB LEU 52 2HB LEU 52 -1.316 -3.682 -8.861
400 2HB LEU 52 1HB LEU 52 -2.362 -3.380 -7.477
401 HG LEU 52 HG LEU 52 -1.908 -1.472 -9.787
402 1HD1 LEU 52 1HD1 LEU 52 -4.409 -2.048 -10.124
403 2HD1 LEU 52 2HD1 LEU 52 -4.084 -3.446 -9.096
404 3HD1 LEU 52 3HD1 LEU 52 -3.221 -3.251 -10.622
405 1HD2 LEU 52 1HD2 LEU 52 -2.568 0.015 -8.175
406 2HD2 LEU 52 2HD2 LEU 52 -3.221 -1.248 -7.130
407 3HD2 LEU 52 3HD2 LEU 52 -4.173 -0.647 -8.491
408 H ALA 53 H ALA 53 -1.191 -1.896 -5.076
409 HA ALA 53 HA ALA 53 0.937 -3.563 -4.014
410 1HB ALA 53 1HB ALA 53 -0.337 -3.214 -1.827
411 2HB ALA 53 2HB ALA 53 -1.468 -2.229 -2.763
412 3HB ALA 53 3HB ALA 53 0.226 -1.743 -2.629
413 H TYR 54 H TYR 54 0.653 -5.508 -2.810
414 HA TYR 54 HA TYR 54 -1.930 -6.886 -2.941
415 1HB TYR 54 2HB TYR 54 0.497 -7.772 -4.494
416 2HB TYR 54 1HB TYR 54 -0.743 -8.908 -3.989
417 HD1 TYR 54 1HD TYR 54 0.185 -6.349 -6.301
418 HD2 TYR 54 2HD TYR 54 -3.146 -8.506 -4.703
419 HE1 TYR 54 1HE TYR 54 -1.145 -5.692 -8.249
420 HE2 TYR 54 2HE TYR 54 -4.524 -7.803 -6.669
421 HH TYR 54 HH TYR 54 -4.532 -6.000 -8.358
422 H CYS 55 H CYS 55 -2.064 -8.395 -1.236
423 HA CYS 55 HA CYS 55 -0.156 -8.204 0.846
424 1HB CYS 55 2HB CYS 55 -2.103 -10.446 0.207
425 2HB CYS 55 1HB CYS 55 -1.166 -10.363 1.695
426 H GLU 56 H GLU 56 1.010 -10.388 1.615
427 HA GLU 56 HA GLU 56 3.042 -10.998 -0.311
428 1HB GLU 56 2HB GLU 56 3.027 -11.265 2.312
429 2HB GLU 56 1HB GLU 56 2.396 -12.864 1.962
430 1HG GLU 56 2HG GLU 56 4.685 -12.261 0.251
431 2HG GLU 56 1HG GLU 56 5.108 -12.107 1.954
432 H THR 57 H THR 57 0.061 -12.628 0.621
433 HA THR 57 HA THR 57 0.631 -14.954 -1.072
434 HB THR 57 HB THR 57 -1.791 -14.175 0.564
435 HG1 THR 57 1HG THR 57 0.254 -14.839 1.573
436 1HG2 THR 57 1HG2 THR 57 -1.211 -16.595 -1.148
437 2HG2 THR 57 2HG2 THR 57 -2.627 -15.546 -1.189
438 3HG2 THR 57 3HG2 THR 57 -2.379 -16.639 0.172
439 H HIS 58 H HIS 58 -1.597 -12.173 -1.178
440 HA HIS 58 HA HIS 58 -2.879 -13.090 -3.574
441 1HB HIS 58 2HB HIS 58 -2.646 -10.317 -2.394
442 2HB HIS 58 1HB HIS 58 -3.703 -10.751 -3.735
443 HD2 HIS 58 2HD HIS 58 -4.855 -13.606 -2.522
444 HE1 HIS 58 1HE HIS 58 -6.153 -11.296 0.764
445 HE2 HIS 58 2HE HIS 58 -6.417 -13.516 -0.438
446 H TYR 59 H TYR 59 -0.197 -10.874 -2.906
447 HA TYR 59 HA TYR 59 0.367 -10.059 -5.528
448 1HB TYR 59 2HB TYR 59 1.634 -9.168 -3.677
449 2HB TYR 59 1HB TYR 59 2.166 -10.762 -3.190
450 HD1 TYR 59 1HD TYR 59 1.986 -9.382 -6.642
451 HD2 TYR 59 2HD TYR 59 4.521 -10.633 -3.412
452 HE1 TYR 59 1HE TYR 59 3.937 -9.192 -8.100
453 HE2 TYR 59 2HE TYR 59 6.497 -10.431 -4.892
454 HH TYR 59 HH TYR 59 6.376 -8.860 -7.911
455 H ASN 60 H ASN 60 1.698 -12.744 -3.683
456 HA ASN 60 HA ASN 60 3.002 -13.955 -5.878
457 1HB ASN 60 2HB ASN 60 2.137 -14.961 -3.180
458 2HB ASN 60 1HB ASN 60 2.856 -16.060 -4.356
459 1HD2 ASN 60 1HD2 ASN 60 3.538 -13.471 -2.108
460 2HD2 ASN 60 2HD2 ASN 60 5.213 -13.409 -2.380
461 H GLN 61 H GLN 61 -0.207 -14.561 -4.438
462 HA GLN 61 HA GLN 61 -0.896 -16.757 -6.130
463 1HB GLN 61 2HB GLN 61 -2.562 -14.585 -4.862
464 2HB GLN 61 1HB GLN 61 -3.297 -15.808 -5.889
465 1HG GLN 61 2HG GLN 61 -1.498 -16.585 -3.597
466 2HG GLN 61 1HG GLN 61 -3.214 -16.273 -3.340
467 1HE2 GLN 61 1HE2 GLN 61 -4.765 -17.739 -4.375
468 2HE2 GLN 61 2HE2 GLN 61 -4.276 -19.250 -4.974
469 H LEU 62 H LEU 62 -0.928 -13.302 -6.572
470 HA LEU 62 HA LEU 62 -2.101 -13.346 -9.226
471 1HB LEU 62 2HB LEU 62 -0.807 -11.333 -7.442
472 2HB LEU 62 1HB LEU 62 -0.801 -10.983 -9.165
473 HG LEU 62 HG LEU 62 -3.353 -11.604 -9.013
474 1HD1 LEU 62 1HD1 LEU 62 -3.183 -12.365 -6.633
475 2HD1 LEU 62 2HD1 LEU 62 -4.368 -11.081 -6.873
476 3HD1 LEU 62 3HD1 LEU 62 -2.791 -10.702 -6.182
477 1HD2 LEU 62 1HD2 LEU 62 -2.103 -9.060 -7.983
478 2HD2 LEU 62 2HD2 LEU 62 -3.822 -9.213 -8.361
479 3HD2 LEU 62 3HD2 LEU 62 -2.617 -9.406 -9.634
480 H PHE 63 H PHE 63 1.146 -13.485 -7.906
481 HA PHE 63 HA PHE 63 2.188 -14.393 -10.491
482 1HB PHE 63 2HB PHE 63 2.725 -11.661 -9.389
483 2HB PHE 63 1HB PHE 63 4.031 -12.496 -10.222
484 HD1 PHE 63 1HD PHE 63 0.853 -10.780 -10.565
485 HD2 PHE 63 2HD PHE 63 3.719 -13.239 -12.602
486 HE1 PHE 63 1HE PHE 63 -0.149 -10.139 -12.741
487 HE2 PHE 63 2HE PHE 63 2.715 -12.609 -14.781
488 HZ PHE 63 HZ PHE 63 0.779 -11.059 -14.851
489 H GLY 64 H GLY 64 3.977 -12.699 -8.005
490 1HA GLY 64 2HA GLY 64 5.396 -13.516 -6.295
491 2HA GLY 64 1HA GLY 64 4.785 -15.140 -6.614
492 H ASP 65 H ASP 65 5.486 -14.275 -9.581
493 HA ASP 65 HA ASP 65 8.322 -14.131 -9.771
494 1HB ASP 65 2HB ASP 65 7.160 -16.842 -9.372
495 2HB ASP 65 1HB ASP 65 8.368 -16.698 -10.647
496 H VAL 66 H VAL 66 6.731 -16.598 -11.631
497 HA VAL 66 HA VAL 66 6.992 -14.941 -14.050
498 HB VAL 66 HB VAL 66 6.406 -16.977 -15.257
499 1HG1 VAL 66 1HG1 VAL 66 8.168 -18.509 -14.319
500 2HG1 VAL 66 2HG1 VAL 66 8.280 -17.441 -12.919
501 3HG1 VAL 66 3HG1 VAL 66 8.713 -16.844 -14.521
502 1HG2 VAL 66 1HG2 VAL 66 5.953 -19.064 -13.848
503 2HG2 VAL 66 2HG2 VAL 66 4.645 -17.883 -13.912
504 3HG2 VAL 66 3HG2 VAL 66 5.684 -17.971 -12.489
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