NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
533504 |
2kzv   |
17020 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 1H MET 1 -21.677 -12.034 2.379
2 H2 MET 1 2H MET 1 -23.211 -11.510 1.873
3 H3 MET 1 3H MET 1 -21.999 -10.376 2.233
4 HA MET 1 HA MET 1 -21.532 -12.373 0.126
5 HB2 MET 1 2HB MET 1 -22.439 -10.621 -1.493
6 HB3 MET 1 3HB MET 1 -23.656 -11.483 -0.554
7 HG2 MET 1 2HG MET 1 -22.533 -8.845 0.426
8 HG3 MET 1 3HG MET 1 -23.878 -8.901 -0.712
9 HE1 MET 1 3HE MET 1 -25.401 -7.646 0.782
10 HE2 MET 1 1HE MET 1 -24.187 -7.482 2.058
11 HE3 MET 1 2HE MET 1 -25.812 -8.042 2.448
12 HA PRO 2 HA PRO 2 -18.353 -8.948 1.167
13 HB2 PRO 2 2HB PRO 2 -16.313 -10.654 1.976
14 HB3 PRO 2 3HB PRO 2 -17.490 -9.934 3.093
15 HG2 PRO 2 2HG PRO 2 -17.526 -12.656 1.822
16 HG3 PRO 2 3HG PRO 2 -17.835 -12.208 3.514
17 HD2 PRO 2 2HD PRO 2 -19.891 -12.690 1.839
18 HD3 PRO 2 3HD PRO 2 -19.996 -11.373 3.032
19 H HIS 3 H HIS 3 -16.771 -8.369 -0.328
20 HA HIS 3 HA HIS 3 -16.399 -10.196 -2.677
21 HB2 HIS 3 2HB HIS 3 -15.988 -7.209 -2.326
22 HB3 HIS 3 3HB HIS 3 -15.627 -8.095 -3.808
23 HD1 HIS 3 HD1 HIS 3 -18.515 -7.034 -1.621
24 HD2 HIS 3 HD2 HIS 3 -17.882 -8.811 -5.338
25 HE1 HIS 3 HE1 HIS 3 -20.769 -7.100 -2.778
26 H LYS 4 H LYS 4 -14.408 -11.020 -3.109
27 HA LYS 4 HA LYS 4 -12.168 -11.601 -2.798
28 HB2 LYS 4 2HB LYS 4 -12.002 -8.605 -2.340
29 HB3 LYS 4 3HB LYS 4 -10.598 -9.655 -2.514
30 HG2 LYS 4 2HG LYS 4 -11.406 -10.369 -4.737
31 HG3 LYS 4 3HG LYS 4 -12.801 -9.303 -4.569
32 HD2 LYS 4 2HD LYS 4 -11.330 -7.349 -4.443
33 HD3 LYS 4 3HD LYS 4 -9.909 -8.390 -4.525
34 HE2 LYS 4 2HE LYS 4 -10.385 -7.460 -6.743
35 HE3 LYS 4 3HE LYS 4 -10.658 -9.201 -6.752
36 HZ1 LYS 4 3HZ LYS 4 -12.435 -7.777 -7.802
37 HZ2 LYS 4 1HZ LYS 4 -12.831 -7.261 -6.235
38 HZ3 LYS 4 2HZ LYS 4 -12.965 -8.904 -6.646
39 H GLU 5 H GLU 5 -12.179 -8.979 -0.382
40 HA GLU 5 HA GLU 5 -11.748 -9.009 1.905
41 HB2 GLU 5 2HB GLU 5 -13.873 -10.410 1.840
42 HB3 GLU 5 3HB GLU 5 -12.843 -11.838 1.872
43 HG2 GLU 5 2HG GLU 5 -13.452 -11.404 4.149
44 HG3 GLU 5 3HG GLU 5 -11.776 -10.893 3.982
45 H LYS 6 H LYS 6 -11.176 -12.437 1.123
46 HA LYS 6 HA LYS 6 -9.283 -13.776 1.435
47 HB2 LYS 6 2HB LYS 6 -7.962 -11.171 0.624
48 HB3 LYS 6 3HB LYS 6 -7.133 -12.723 0.713
49 HG2 LYS 6 2HG LYS 6 -8.696 -13.668 -0.935
50 HG3 LYS 6 3HG LYS 6 -9.551 -12.127 -1.015
51 HD2 LYS 6 2HD LYS 6 -7.539 -11.014 -1.849
52 HD3 LYS 6 3HD LYS 6 -6.626 -12.515 -1.702
53 HE2 LYS 6 2HE LYS 6 -7.332 -12.215 -4.024
54 HE3 LYS 6 3HE LYS 6 -8.185 -13.588 -3.319
55 HZ1 LYS 6 3HZ LYS 6 -9.270 -10.831 -3.499
56 HZ2 LYS 6 1HZ LYS 6 -10.090 -12.199 -2.923
57 HZ3 LYS 6 2HZ LYS 6 -9.657 -12.097 -4.564
58 H HIS 7 H HIS 7 -8.969 -14.392 3.503
59 HA HIS 7 HA HIS 7 -8.462 -12.554 5.654
60 HB2 HIS 7 2HB HIS 7 -9.144 -15.283 5.424
61 HB3 HIS 7 3HB HIS 7 -7.563 -15.328 6.189
62 HD1 HIS 7 HD1 HIS 7 -11.114 -14.681 6.869
63 HD2 HIS 7 HD2 HIS 7 -7.492 -13.737 8.711
64 HE1 HIS 7 HE1 HIS 7 -11.675 -13.988 9.241
65 HA PRO 8 HA PRO 8 -3.862 -14.167 5.161
66 HB2 PRO 8 2HB PRO 8 -3.767 -14.473 2.179
67 HB3 PRO 8 3HB PRO 8 -3.046 -15.499 3.433
68 HG2 PRO 8 2HG PRO 8 -5.197 -16.311 2.078
69 HG3 PRO 8 3HG PRO 8 -5.036 -16.651 3.815
70 HD2 PRO 8 2HD PRO 8 -6.699 -14.510 2.472
71 HD3 PRO 8 3HD PRO 8 -7.126 -15.565 3.841
72 H LEU 9 H LEU 9 -2.627 -12.343 5.361
73 HA LEU 9 HA LEU 9 -3.348 -9.869 4.097
74 HB2 LEU 9 2HB LEU 9 -0.970 -10.803 5.711
75 HB3 LEU 9 3HB LEU 9 -0.942 -9.209 4.959
76 HG LEU 9 HG LEU 9 -3.015 -8.601 6.135
77 HD11 LEU 9 1HD1 LEU 9 -4.153 -10.701 6.343
78 HD12 LEU 9 2HD1 LEU 9 -3.790 -10.184 7.986
79 HD13 LEU 9 3HD1 LEU 9 -2.803 -11.427 7.214
80 HD21 LEU 9 3HD2 LEU 9 -0.784 -8.229 7.195
81 HD22 LEU 9 1HD2 LEU 9 -0.946 -9.781 8.017
82 HD23 LEU 9 2HD2 LEU 9 -2.064 -8.467 8.385
83 H GLN 10 H GLN 10 -0.791 -12.250 3.422
84 HA GLN 10 HA GLN 10 0.607 -10.850 1.420
85 HB2 GLN 10 2HB GLN 10 1.259 -13.062 2.419
86 HB3 GLN 10 3HB GLN 10 0.015 -13.823 1.428
87 HG2 GLN 10 2HG GLN 10 1.119 -13.024 -0.614
88 HG3 GLN 10 3HG GLN 10 2.338 -12.199 0.358
89 HE21 GLN 10 1HE2 GLN 10 3.029 -14.269 -1.529
90 HE22 GLN 10 2HE2 GLN 10 3.634 -15.591 -0.652
91 H ASP 11 H ASP 11 -2.128 -13.130 0.930
92 HA ASP 11 HA ASP 11 -2.320 -12.581 -1.888
93 HB2 ASP 11 2HB ASP 11 -4.405 -13.638 0.045
94 HB3 ASP 11 3HB ASP 11 -4.542 -13.671 -1.710
95 H MET 12 H MET 12 -3.938 -11.207 0.966
96 HA MET 12 HA MET 12 -5.848 -9.617 -0.420
97 HB2 MET 12 2HB MET 12 -5.863 -10.042 2.036
98 HB3 MET 12 3HB MET 12 -4.462 -8.988 2.199
99 HG2 MET 12 2HG MET 12 -5.728 -7.091 1.354
100 HG3 MET 12 3HG MET 12 -7.121 -8.122 1.038
101 HE1 MET 12 3HE MET 12 -5.607 -6.445 5.004
102 HE2 MET 12 1HE MET 12 -5.371 -5.821 3.365
103 HE3 MET 12 2HE MET 12 -4.533 -7.280 3.886
104 H PHE 13 H PHE 13 -2.570 -8.708 0.761
105 HA PHE 13 HA PHE 13 -2.683 -6.073 -0.412
106 HB2 PHE 13 2HB PHE 13 -0.375 -7.798 0.547
107 HB3 PHE 13 3HB PHE 13 -0.109 -6.207 -0.161
108 HD1 PHE 13 HD1 PHE 13 -1.671 -4.280 0.811
109 HD2 PHE 13 HD2 PHE 13 -0.646 -7.886 2.917
110 HE1 PHE 13 HE1 PHE 13 -2.171 -3.169 2.969
111 HE2 PHE 13 HE2 PHE 13 -1.157 -6.773 5.068
112 HZ PHE 13 HZ PHE 13 -1.916 -4.415 5.096
113 H THR 14 H THR 14 -1.490 -9.207 -1.582
114 HA THR 14 HA THR 14 -0.201 -8.273 -3.936
115 HB THR 14 HB THR 14 -1.710 -10.873 -3.500
116 HG1 THR 14 HG1 THR 14 -0.062 -11.376 -2.334
117 HG21 THR 14 3HG2 THR 14 -1.301 -10.590 -5.859
118 HG22 THR 14 1HG2 THR 14 -0.075 -11.699 -5.250
119 HG23 THR 14 2HG2 THR 14 0.340 -10.015 -5.563
120 H SER 15 H SER 15 -3.586 -9.298 -3.431
121 HA SER 15 HA SER 15 -4.427 -8.895 -6.124
122 HB2 SER 15 2HB SER 15 -6.061 -8.630 -3.586
123 HB3 SER 15 3HB SER 15 -6.703 -8.864 -5.210
124 HG SER 15 HG SER 15 -5.291 -10.809 -5.202
125 H ALA 16 H ALA 16 -4.441 -6.667 -3.327
126 HA ALA 16 HA ALA 16 -5.744 -4.521 -4.716
127 HB1 ALA 16 3HB ALA 16 -3.808 -4.358 -2.391
128 HB2 ALA 16 1HB ALA 16 -5.539 -4.659 -2.242
129 HB3 ALA 16 2HB ALA 16 -4.965 -3.118 -2.876
130 H ILE 17 H ILE 17 -2.290 -5.264 -4.203
131 HA ILE 17 HA ILE 17 -1.280 -2.896 -5.452
132 HB ILE 17 HB ILE 17 -0.090 -5.669 -5.126
133 HG12 ILE 17 2HG1 ILE 17 0.530 -3.101 -3.625
134 HG13 ILE 17 3HG1 ILE 17 -0.675 -4.254 -3.065
135 HG21 ILE 17 1HG2 ILE 17 1.142 -4.643 -6.924
136 HG22 ILE 17 2HG2 ILE 17 2.121 -4.428 -5.478
137 HG23 ILE 17 3HG2 ILE 17 1.166 -3.085 -6.103
138 HD11 ILE 17 3HD1 ILE 17 2.281 -4.779 -3.481
139 HD12 ILE 17 1HD1 ILE 17 1.105 -6.036 -3.104
140 HD13 ILE 17 2HD1 ILE 17 1.417 -4.748 -1.944
141 H GLU 18 H GLU 18 -1.955 -6.143 -6.762
142 HA GLU 18 HA GLU 18 -1.069 -5.536 -9.424
143 HB2 GLU 18 2HB GLU 18 -1.397 -7.846 -8.495
144 HB3 GLU 18 3HB GLU 18 -3.139 -7.584 -8.583
145 HG2 GLU 18 2HG GLU 18 -3.002 -7.253 -11.004
146 HG3 GLU 18 3HG GLU 18 -1.246 -7.412 -10.948
147 H ALA 19 H ALA 19 -4.176 -5.166 -7.779
148 HA ALA 19 HA ALA 19 -5.754 -4.656 -10.106
149 HB1 ALA 19 3HB ALA 19 -7.385 -3.721 -8.581
150 HB2 ALA 19 1HB ALA 19 -6.157 -3.498 -7.335
151 HB3 ALA 19 2HB ALA 19 -6.648 -5.125 -7.808
152 H VAL 20 H VAL 20 -3.840 -2.476 -8.031
153 HA VAL 20 HA VAL 20 -4.505 -0.174 -9.843
154 HB VAL 20 HB VAL 20 -3.694 1.265 -8.083
155 HG11 VAL 20 1HG1 VAL 20 -5.364 -0.950 -6.858
156 HG12 VAL 20 2HG1 VAL 20 -5.999 0.327 -7.895
157 HG13 VAL 20 3HG1 VAL 20 -5.297 0.731 -6.328
158 HG21 VAL 20 3HG2 VAL 20 -2.933 0.198 -5.884
159 HG22 VAL 20 1HG2 VAL 20 -1.798 0.073 -7.226
160 HG23 VAL 20 2HG2 VAL 20 -2.781 -1.316 -6.776
161 H ALA 21 H ALA 21 -2.272 -2.543 -9.863
162 HA ALA 21 HA ALA 21 0.218 -1.124 -9.968
163 HB1 ALA 21 3HB ALA 21 0.930 -3.191 -11.347
164 HB2 ALA 21 1HB ALA 21 -0.718 -3.772 -11.103
165 HB3 ALA 21 2HB ALA 21 0.335 -3.496 -9.717
166 H ARG 22 H ARG 22 -2.449 -0.952 -12.001
167 HA ARG 22 HA ARG 22 -1.135 -0.713 -14.569
168 HB2 ARG 22 2HB ARG 22 -3.813 0.389 -13.616
169 HB3 ARG 22 3HB ARG 22 -3.300 0.262 -15.302
170 HG2 ARG 22 2HG ARG 22 -3.174 -2.177 -15.119
171 HG3 ARG 22 3HG ARG 22 -3.452 -2.107 -13.414
172 HD2 ARG 22 2HD ARG 22 -5.542 -2.753 -14.298
173 HD3 ARG 22 3HD ARG 22 -5.702 -1.066 -13.876
174 HE ARG 22 HE ARG 22 -6.643 -1.033 -16.025
175 HH11 ARG 22 1HH2 ARG 22 -3.341 -1.820 -16.592
176 HH12 ARG 22 2HH2 ARG 22 -3.657 -2.524 -18.133
177 HH21 ARG 22 1HH1 ARG 22 -7.042 -1.955 -18.011
178 HH22 ARG 22 2HH1 ARG 22 -5.725 -2.591 -18.940
179 H ASP 23 H ASP 23 -1.488 1.379 -11.828
180 HA ASP 23 HA ASP 23 -1.331 3.924 -13.103
181 HB2 ASP 23 2HB ASP 23 -1.844 3.679 -10.708
182 HB3 ASP 23 3HB ASP 23 -0.226 3.049 -10.412
183 H SER 24 H SER 24 1.275 1.848 -11.801
184 HA SER 24 HA SER 24 3.084 2.362 -13.935
185 HB2 SER 24 2HB SER 24 3.138 4.317 -11.663
186 HB3 SER 24 3HB SER 24 4.684 3.825 -12.350
187 HG SER 24 HG SER 24 2.779 5.470 -13.353
188 H GLY 25 H GLY 25 3.054 0.010 -13.315
189 HA2 GLY 25 2HA GLY 25 4.066 -1.855 -12.313
190 HA3 GLY 25 3HA GLY 25 5.424 -0.780 -11.990
191 H TRP 26 H TRP 26 5.554 0.259 -9.951
192 HA TRP 26 HA TRP 26 4.659 -1.170 -7.692
193 HB2 TRP 26 2HB TRP 26 5.415 1.757 -7.944
194 HB3 TRP 26 3HB TRP 26 5.219 0.916 -6.408
195 HD1 TRP 26 HD1 TRP 26 7.355 0.760 -9.610
196 HE1 TRP 26 HE1 TRP 26 9.624 -0.310 -9.014
197 HE3 TRP 26 HE3 TRP 26 6.500 -0.457 -4.726
198 HZ2 TRP 26 HZ2 TRP 26 10.907 -1.517 -6.762
199 HZ3 TRP 26 HZ3 TRP 26 8.261 -1.562 -3.378
200 HH2 TRP 26 HH2 TRP 26 10.462 -2.094 -4.389
201 H ALA 27 H ALA 27 3.387 0.323 -5.895
202 HA ALA 27 HA ALA 27 0.856 1.376 -7.101
203 HB1 ALA 27 3HB ALA 27 1.123 -0.879 -5.092
204 HB2 ALA 27 1HB ALA 27 0.304 -0.918 -6.653
205 HB3 ALA 27 2HB ALA 27 -0.380 0.013 -5.321
206 H GLU 28 H GLU 28 0.131 3.155 -6.012
207 HA GLU 28 HA GLU 28 1.730 4.291 -3.886
208 HB2 GLU 28 2HB GLU 28 -0.989 5.046 -5.001
209 HB3 GLU 28 3HB GLU 28 -0.113 6.008 -3.809
210 HG2 GLU 28 2HG GLU 28 1.757 6.290 -5.352
211 HG3 GLU 28 3HG GLU 28 0.975 5.242 -6.535
212 H LEU 29 H LEU 29 1.442 4.132 -1.692
213 HA LEU 29 HA LEU 29 -0.094 2.074 -0.557
214 HB2 LEU 29 2HB LEU 29 1.799 3.182 0.596
215 HB3 LEU 29 3HB LEU 29 0.847 4.653 0.748
216 HG LEU 29 HG LEU 29 -0.791 3.458 2.166
217 HD11 LEU 29 1HD1 LEU 29 -0.784 1.199 1.520
218 HD12 LEU 29 2HD1 LEU 29 0.091 1.136 3.043
219 HD13 LEU 29 3HD1 LEU 29 0.975 1.090 1.518
220 HD21 LEU 29 3HD2 LEU 29 0.664 3.200 4.131
221 HD22 LEU 29 1HD2 LEU 29 1.155 4.602 3.180
222 HD23 LEU 29 2HD2 LEU 29 2.081 3.103 3.083
223 H SER 30 H SER 30 -0.910 5.517 -0.976
224 HA SER 30 HA SER 30 -3.361 5.495 0.461
225 HB2 SER 30 2HB SER 30 -2.274 7.558 -0.379
226 HB3 SER 30 3HB SER 30 -2.652 7.075 -2.030
227 HG SER 30 HG SER 30 -4.878 7.080 -1.384
228 H ALA 31 H ALA 31 -2.659 4.725 -2.951
229 HA ALA 31 HA ALA 31 -5.360 4.264 -3.748
230 HB1 ALA 31 3HB ALA 31 -2.784 3.030 -4.760
231 HB2 ALA 31 1HB ALA 31 -3.578 4.468 -5.400
232 HB3 ALA 31 2HB ALA 31 -4.344 2.888 -5.571
233 H VAL 32 H VAL 32 -2.946 2.129 -2.256
234 HA VAL 32 HA VAL 32 -4.448 -0.296 -2.501
235 HB VAL 32 HB VAL 32 -2.425 0.541 -0.397
236 HG11 VAL 32 1HG1 VAL 32 -3.655 -1.352 0.458
237 HG12 VAL 32 2HG1 VAL 32 -2.127 -1.969 -0.158
238 HG13 VAL 32 3HG1 VAL 32 -3.600 -2.165 -1.106
239 HG21 VAL 32 3HG2 VAL 32 -1.649 0.567 -2.787
240 HG22 VAL 32 1HG2 VAL 32 -2.084 -1.138 -2.903
241 HG23 VAL 32 2HG2 VAL 32 -0.810 -0.625 -1.796
242 H GLY 33 H GLY 33 -4.266 2.095 0.157
243 HA2 GLY 33 2HA GLY 33 -6.061 0.770 1.914
244 HA3 GLY 33 3HA GLY 33 -5.768 2.509 1.915
245 H SER 34 H SER 34 -6.743 3.305 -0.525
246 HA SER 34 HA SER 34 -9.567 3.358 -0.086
247 HB2 SER 34 2HB SER 34 -8.046 3.929 -2.645
248 HB3 SER 34 3HB SER 34 -9.700 4.426 -2.295
249 HG SER 34 HG SER 34 -8.413 5.283 -0.267
250 H TYR 35 H TYR 35 -7.564 1.450 -2.328
251 HA TYR 35 HA TYR 35 -9.693 0.161 -3.709
252 HB2 TYR 35 2HB TYR 35 -7.325 0.067 -4.433
253 HB3 TYR 35 3HB TYR 35 -6.943 -0.924 -3.027
254 HD1 TYR 35 HD1 TYR 35 -8.677 -0.831 -6.284
255 HD2 TYR 35 HD2 TYR 35 -7.671 -3.266 -2.886
256 HE1 TYR 35 HE1 TYR 35 -9.360 -2.860 -7.533
257 HE2 TYR 35 HE2 TYR 35 -8.352 -5.294 -4.142
258 HH TYR 35 HH TYR 35 -8.797 -6.081 -6.254
259 H LEU 36 H LEU 36 -7.858 -0.883 -0.827
260 HA LEU 36 HA LEU 36 -9.357 -3.286 -0.410
261 HB2 LEU 36 2HB LEU 36 -7.824 -1.546 1.543
262 HB3 LEU 36 3HB LEU 36 -8.445 -3.148 1.927
263 HG LEU 36 HG LEU 36 -6.529 -2.608 -0.372
264 HD11 LEU 36 1HD1 LEU 36 -4.754 -3.465 1.084
265 HD12 LEU 36 2HD1 LEU 36 -5.906 -3.670 2.403
266 HD13 LEU 36 3HD1 LEU 36 -5.503 -2.053 1.828
267 HD21 LEU 36 3HD2 LEU 36 -7.643 -5.122 0.920
268 HD22 LEU 36 1HD2 LEU 36 -6.116 -5.153 0.039
269 HD23 LEU 36 2HD2 LEU 36 -7.589 -4.696 -0.792
270 H ALA 37 H ALA 37 -9.796 0.039 0.741
271 HA ALA 37 HA ALA 37 -11.907 -0.464 2.572
272 HB1 ALA 37 3HB ALA 37 -10.867 1.731 2.457
273 HB2 ALA 37 1HB ALA 37 -12.583 1.911 2.092
274 HB3 ALA 37 2HB ALA 37 -11.396 1.936 0.787
275 H LYS 38 H LYS 38 -12.075 0.311 -0.923
276 HA LYS 38 HA LYS 38 -14.958 0.006 -1.036
277 HB2 LYS 38 2HB LYS 38 -12.822 0.023 -3.190
278 HB3 LYS 38 3HB LYS 38 -14.555 0.002 -3.519
279 HG2 LYS 38 2HG LYS 38 -14.869 2.130 -2.429
280 HG3 LYS 38 3HG LYS 38 -13.212 2.127 -1.826
281 HD2 LYS 38 2HD LYS 38 -13.329 3.592 -3.761
282 HD3 LYS 38 3HD LYS 38 -12.392 2.164 -4.190
283 HE2 LYS 38 2HE LYS 38 -14.177 1.249 -5.479
284 HE3 LYS 38 3HE LYS 38 -15.367 2.337 -4.759
285 HZ1 LYS 38 3HZ LYS 38 -13.397 3.930 -5.869
286 HZ2 LYS 38 1HZ LYS 38 -14.984 3.714 -6.427
287 HZ3 LYS 38 2HZ LYS 38 -13.732 2.732 -7.026
288 H ASN 39 H ASN 39 -12.261 -2.052 -2.192
289 HA ASN 39 HA ASN 39 -13.941 -4.217 -3.044
290 HB2 ASN 39 2HB ASN 39 -11.017 -4.116 -2.242
291 HB3 ASN 39 3HB ASN 39 -11.786 -5.550 -2.923
292 HD21 ASN 39 1HD2 ASN 39 -10.363 -2.487 -3.704
293 HD22 ASN 39 2HD2 ASN 39 -10.703 -2.511 -5.365
294 H ASP 40 H ASP 40 -12.281 -3.537 -0.001
295 HA ASP 40 HA ASP 40 -13.806 -5.774 1.324
296 HB2 ASP 40 2HB ASP 40 -11.080 -4.705 2.116
297 HB3 ASP 40 3HB ASP 40 -11.915 -6.109 2.782
298 HA PRO 41 HA PRO 41 -15.143 -1.668 3.126
299 HB2 PRO 41 2HB PRO 41 -17.439 -3.474 3.878
300 HB3 PRO 41 3HB PRO 41 -17.480 -1.820 3.228
301 HG2 PRO 41 2HG PRO 41 -18.063 -3.876 1.657
302 HG3 PRO 41 3HG PRO 41 -17.069 -2.537 1.041
303 HD2 PRO 41 2HD PRO 41 -16.169 -5.273 1.953
304 HD3 PRO 41 3HD PRO 41 -15.604 -4.312 0.565
305 H SER 42 H SER 42 -14.952 -4.924 4.438
306 HA SER 42 HA SER 42 -15.227 -4.235 7.211
307 HB2 SER 42 2HB SER 42 -14.206 -6.453 7.602
308 HB3 SER 42 3HB SER 42 -15.451 -6.543 6.359
309 HG SER 42 HG SER 42 -13.288 -5.951 5.071
310 H PHE 43 H PHE 43 -12.748 -3.590 4.955
311 HA PHE 43 HA PHE 43 -10.499 -3.724 6.809
312 HB2 PHE 43 2HB PHE 43 -10.370 -3.852 4.250
313 HB3 PHE 43 3HB PHE 43 -10.640 -2.110 4.235
314 HD1 PHE 43 HD2 PHE 43 -8.497 -4.704 5.881
315 HD2 PHE 43 HD1 PHE 43 -8.725 -0.685 4.377
316 HE1 PHE 43 HE2 PHE 43 -6.087 -4.389 6.360
317 HE2 PHE 43 HE1 PHE 43 -6.306 -0.376 4.859
318 HZ PHE 43 HZ PHE 43 -4.994 -2.226 5.850
319 H ASP 44 H ASP 44 -10.106 -2.289 8.364
320 HA ASP 44 HA ASP 44 -11.249 0.499 8.189
321 HB2 ASP 44 2HB ASP 44 -12.238 -1.008 9.941
322 HB3 ASP 44 3HB ASP 44 -10.643 -1.111 10.686
323 HA PRO 45 HA PRO 45 -6.614 0.923 8.284
324 HB2 PRO 45 2HB PRO 45 -7.118 3.583 7.069
325 HB3 PRO 45 3HB PRO 45 -6.133 2.247 6.447
326 HG2 PRO 45 2HG PRO 45 -8.546 2.999 5.371
327 HG3 PRO 45 3HG PRO 45 -7.867 1.371 5.237
328 HD2 PRO 45 2HD PRO 45 -10.093 2.333 6.996
329 HD3 PRO 45 3HD PRO 45 -9.825 0.721 6.298
330 H ARG 46 H ARG 46 -9.245 2.810 9.427
331 HA ARG 46 HA ARG 46 -7.850 4.840 10.896
332 HB2 ARG 46 2HB ARG 46 -10.545 3.513 11.286
333 HB3 ARG 46 3HB ARG 46 -9.990 4.854 12.286
334 HG2 ARG 46 2HG ARG 46 -9.842 6.315 10.359
335 HG3 ARG 46 3HG ARG 46 -10.167 4.975 9.260
336 HD2 ARG 46 2HD ARG 46 -12.430 4.818 9.917
337 HD3 ARG 46 3HD ARG 46 -12.162 5.689 11.428
338 HE ARG 46 HE ARG 46 -11.581 7.625 9.609
339 HH11 ARG 46 1HH2 ARG 46 -14.148 5.298 9.705
340 HH12 ARG 46 2HH2 ARG 46 -15.333 6.402 9.096
341 HH21 ARG 46 1HH1 ARG 46 -13.129 9.064 8.855
342 HH22 ARG 46 2HH1 ARG 46 -14.762 8.533 8.628
343 H ASN 47 H ASN 47 -8.828 1.536 11.686
344 HA ASN 47 HA ASN 47 -8.108 1.586 14.451
345 HB2 ASN 47 2HB ASN 47 -8.137 -0.682 12.436
346 HB3 ASN 47 3HB ASN 47 -7.812 -0.931 14.152
347 HD21 ASN 47 1HD2 ASN 47 -10.111 -2.090 12.883
348 HD22 ASN 47 2HD2 ASN 47 -11.500 -1.351 13.522
349 H TRP 48 H TRP 48 -6.203 0.982 11.515
350 HA TRP 48 HA TRP 48 -3.749 0.432 13.060
351 HB2 TRP 48 2HB TRP 48 -4.230 0.831 10.090
352 HB3 TRP 48 3HB TRP 48 -2.696 0.338 10.807
353 HD1 TRP 48 HD1 TRP 48 -5.917 -1.037 9.576
354 HE1 TRP 48 HE1 TRP 48 -6.094 -3.547 10.139
355 HE3 TRP 48 HE3 TRP 48 -2.010 -1.487 12.834
356 HZ2 TRP 48 HZ2 TRP 48 -4.754 -5.489 11.760
357 HZ3 TRP 48 HZ3 TRP 48 -1.484 -3.673 13.872
358 HH2 TRP 48 HH2 TRP 48 -2.849 -5.673 13.340
359 H GLY 49 H GLY 49 -5.402 3.137 12.750
360 HA2 GLY 49 2HA GLY 49 -4.806 5.399 13.022
361 HA3 GLY 49 3HA GLY 49 -3.137 4.862 13.225
362 H HIS 50 H HIS 50 -4.142 7.150 11.663
363 HA HIS 50 HA HIS 50 -3.888 6.429 8.835
364 HB2 HIS 50 2HB HIS 50 -5.270 8.352 9.584
365 HB3 HIS 50 3HB HIS 50 -3.814 9.152 10.175
366 HD1 HIS 50 HD1 HIS 50 -5.049 7.625 6.895
367 HD2 HIS 50 HD2 HIS 50 -2.663 10.763 8.253
368 HE1 HIS 50 HE1 HIS 50 -4.316 8.911 4.839
369 H GLY 51 H GLY 51 -2.086 6.889 7.503
370 HA2 GLY 51 2HA GLY 51 0.162 7.312 6.968
371 HA3 GLY 51 3HA GLY 51 0.305 8.187 8.492
372 H ARG 52 H ARG 52 -0.438 6.051 10.248
373 HA ARG 52 HA ARG 52 2.103 4.714 10.482
374 HB2 ARG 52 2HB ARG 52 -0.565 4.096 11.785
375 HB3 ARG 52 3HB ARG 52 0.967 3.374 12.262
376 HG2 ARG 52 2HG ARG 52 1.853 5.621 12.797
377 HG3 ARG 52 3HG ARG 52 0.308 6.339 12.338
378 HD2 ARG 52 2HD ARG 52 -0.759 4.765 14.090
379 HD3 ARG 52 3HD ARG 52 0.887 4.485 14.663
380 HE ARG 52 HE ARG 52 0.205 7.322 14.470
381 HH11 ARG 52 1HH2 ARG 52 0.178 4.444 16.379
382 HH12 ARG 52 2HH2 ARG 52 -0.063 5.282 17.875
383 HH21 ARG 52 1HH1 ARG 52 -0.140 8.425 16.411
384 HH22 ARG 52 2HH1 ARG 52 -0.250 7.536 17.893
385 H LEU 53 H LEU 53 -0.435 4.183 8.379
386 HA LEU 53 HA LEU 53 -0.607 1.332 8.316
387 HB2 LEU 53 2HB LEU 53 -2.198 2.836 7.131
388 HB3 LEU 53 3HB LEU 53 -0.907 3.316 6.034
389 HG LEU 53 HG LEU 53 -0.700 0.942 5.282
390 HD11 LEU 53 1HD1 LEU 53 -1.480 -0.417 7.044
391 HD12 LEU 53 2HD1 LEU 53 -2.802 -0.504 5.887
392 HD13 LEU 53 3HD1 LEU 53 -2.929 0.558 7.291
393 HD21 LEU 53 3HD2 LEU 53 -2.139 2.597 4.100
394 HD22 LEU 53 1HD2 LEU 53 -3.512 2.064 5.072
395 HD23 LEU 53 2HD2 LEU 53 -2.746 0.950 3.940
396 H SER 54 H SER 54 1.566 3.649 6.726
397 HA SER 54 HA SER 54 2.977 1.787 5.092
398 HB2 SER 54 2HB SER 54 3.202 4.249 4.877
399 HB3 SER 54 3HB SER 54 4.027 4.300 6.432
400 HG SER 54 HG SER 54 5.694 4.085 5.115
401 H GLN 55 H GLN 55 3.530 2.855 8.443
402 HA GLN 55 HA GLN 55 5.915 1.270 8.812
403 HB2 GLN 55 2HB GLN 55 3.949 2.551 10.732
404 HB3 GLN 55 3HB GLN 55 5.342 1.630 11.300
405 HG2 GLN 55 2HG GLN 55 5.872 4.032 11.199
406 HG3 GLN 55 3HG GLN 55 6.847 3.130 10.041
407 HE21 GLN 55 1HE2 GLN 55 7.093 4.710 8.395
408 HE22 GLN 55 2HE2 GLN 55 5.789 5.413 7.566
409 H MET 56 H MET 56 2.473 0.561 9.020
410 HA MET 56 HA MET 56 2.653 -1.798 10.635
411 HB2 MET 56 2HB MET 56 0.519 -0.636 10.078
412 HB3 MET 56 3HB MET 56 0.685 -1.179 8.412
413 HG2 MET 56 2HG MET 56 0.621 -3.536 9.171
414 HG3 MET 56 3HG MET 56 0.471 -2.986 10.839
415 HE1 MET 56 3HE MET 56 -0.770 -2.747 7.336
416 HE2 MET 56 1HE MET 56 -2.535 -2.677 7.417
417 HE3 MET 56 2HE MET 56 -1.691 -4.176 7.793
418 H VAL 57 H VAL 57 2.662 -1.382 7.077
419 HA VAL 57 HA VAL 57 3.081 -4.185 6.544
420 HB VAL 57 HB VAL 57 3.740 -3.353 4.241
421 HG11 VAL 57 1HG1 VAL 57 1.401 -3.856 4.775
422 HG12 VAL 57 2HG1 VAL 57 1.487 -2.436 3.732
423 HG13 VAL 57 3HG1 VAL 57 1.192 -2.245 5.460
424 HG21 VAL 57 3HG2 VAL 57 4.710 -1.183 5.080
425 HG22 VAL 57 1HG2 VAL 57 3.071 -0.643 5.437
426 HG23 VAL 57 2HG2 VAL 57 3.548 -0.974 3.775
427 H LYS 58 H LYS 58 5.174 -1.586 7.422
428 HA LYS 58 HA LYS 58 7.646 -2.571 6.379
429 HB2 LYS 58 2HB LYS 58 7.226 -0.287 7.361
430 HB3 LYS 58 3HB LYS 58 7.254 -1.023 8.960
431 HG2 LYS 58 2HG LYS 58 9.545 -1.898 8.469
432 HG3 LYS 58 3HG LYS 58 9.517 -1.031 6.938
433 HD2 LYS 58 2HD LYS 58 9.149 0.302 9.640
434 HD3 LYS 58 3HD LYS 58 10.697 0.191 8.810
435 HE2 LYS 58 2HE LYS 58 9.522 1.344 6.813
436 HE3 LYS 58 3HE LYS 58 8.231 1.725 7.952
437 HZ1 LYS 58 3HZ LYS 58 9.618 3.543 8.082
438 HZ2 LYS 58 1HZ LYS 58 11.035 2.617 7.986
439 HZ3 LYS 58 2HZ LYS 58 10.111 2.606 9.412
440 H LYS 59 H LYS 59 5.738 -3.470 9.182
441 HA LYS 59 HA LYS 59 7.880 -4.976 10.478
442 HB2 LYS 59 2HB LYS 59 4.867 -5.000 10.853
443 HB3 LYS 59 3HB LYS 59 6.017 -5.832 11.901
444 HG2 LYS 59 2HG LYS 59 7.097 -3.693 12.446
445 HG3 LYS 59 3HG LYS 59 5.985 -2.845 11.371
446 HD2 LYS 59 2HD LYS 59 4.079 -3.592 12.750
447 HD3 LYS 59 3HD LYS 59 5.190 -4.434 13.830
448 HE2 LYS 59 2HE LYS 59 6.299 -2.299 14.364
449 HE3 LYS 59 3HE LYS 59 5.200 -1.453 13.276
450 HZ1 LYS 59 3HZ LYS 59 3.599 -2.948 14.943
451 HZ2 LYS 59 1HZ LYS 59 3.822 -1.268 14.983
452 HZ3 LYS 59 2HZ LYS 59 4.783 -2.274 15.958
453 H LEU 60 H LEU 60 6.101 -5.503 7.696
454 HA LEU 60 HA LEU 60 6.029 -8.487 7.989
455 HB2 LEU 60 2HB LEU 60 4.988 -6.776 5.714
456 HB3 LEU 60 3HB LEU 60 4.634 -8.474 6.024
457 HG LEU 60 HG LEU 60 3.854 -6.146 7.808
458 HD11 LEU 60 1HD1 LEU 60 1.575 -6.616 7.087
459 HD12 LEU 60 2HD1 LEU 60 2.130 -7.977 6.116
460 HD13 LEU 60 3HD1 LEU 60 2.582 -6.336 5.668
461 HD21 LEU 60 3HD2 LEU 60 4.136 -7.989 9.278
462 HD22 LEU 60 1HD2 LEU 60 3.539 -9.149 8.092
463 HD23 LEU 60 2HD2 LEU 60 2.421 -8.042 8.890
464 H ASP 61 H ASP 61 7.963 -9.366 7.497
465 HA ASP 61 HA ASP 61 9.963 -8.148 5.858
466 HB2 ASP 61 2HB ASP 61 9.555 -11.010 6.771
467 HB3 ASP 61 3HB ASP 61 10.987 -10.479 5.891
468 H PHE 62 H PHE 62 7.478 -10.596 5.060
469 HA PHE 62 HA PHE 62 8.525 -11.099 2.421
470 HB2 PHE 62 2HB PHE 62 6.378 -12.224 1.996
471 HB3 PHE 62 3HB PHE 62 7.061 -12.705 3.547
472 HD1 PHE 62 HD1 PHE 62 6.111 -11.855 5.670
473 HD2 PHE 62 HD2 PHE 62 4.333 -10.904 1.874
474 HE1 PHE 62 HE1 PHE 62 4.040 -11.127 6.820
475 HE2 PHE 62 HE2 PHE 62 2.265 -10.173 3.027
476 HZ PHE 62 HZ PHE 62 2.117 -10.287 5.498
477 H LEU 63 H LEU 63 7.823 -8.205 3.267
478 HA LEU 63 HA LEU 63 6.539 -7.474 0.665
479 HB2 LEU 63 2HB LEU 63 5.680 -6.611 3.433
480 HB3 LEU 63 3HB LEU 63 5.362 -5.575 2.048
481 HG LEU 63 HG LEU 63 4.532 -8.495 1.942
482 HD11 LEU 63 1HD1 LEU 63 2.274 -7.757 2.798
483 HD12 LEU 63 2HD1 LEU 63 3.023 -6.239 3.296
484 HD13 LEU 63 3HD1 LEU 63 3.547 -7.759 4.018
485 HD21 LEU 63 3HD2 LEU 63 2.767 -7.569 0.467
486 HD22 LEU 63 1HD2 LEU 63 4.364 -7.109 -0.116
487 HD23 LEU 63 2HD2 LEU 63 3.376 -5.941 0.751
488 H THR 64 H THR 64 7.765 -6.018 -0.363
489 HA THR 64 HA THR 64 10.015 -4.713 1.063
490 HB THR 64 HB THR 64 9.228 -4.577 -1.867
491 HG1 THR 64 HG1 THR 64 9.967 -6.517 -1.961
492 HG21 THR 64 3HG2 THR 64 11.805 -3.974 -0.391
493 HG22 THR 64 1HG2 THR 64 10.748 -2.795 -1.164
494 HG23 THR 64 2HG2 THR 64 11.623 -3.968 -2.146
495 H VAL 65 H VAL 65 9.943 -2.588 1.692
496 HA VAL 65 HA VAL 65 7.627 -0.888 0.764
497 HB VAL 65 HB VAL 65 9.188 -0.757 3.365
498 HG11 VAL 65 1HG1 VAL 65 6.802 0.792 2.305
499 HG12 VAL 65 2HG1 VAL 65 8.379 1.442 2.757
500 HG13 VAL 65 3HG1 VAL 65 7.300 0.807 3.998
501 HG21 VAL 65 3HG2 VAL 65 7.783 -2.733 3.353
502 HG22 VAL 65 1HG2 VAL 65 6.423 -1.820 2.700
503 HG23 VAL 65 2HG2 VAL 65 6.985 -1.511 4.341
504 H GLN 66 H GLN 66 8.142 0.931 -0.292
505 HA GLN 66 HA GLN 66 10.820 2.201 0.076
506 HB2 GLN 66 2HB GLN 66 9.628 1.384 -2.597
507 HB3 GLN 66 3HB GLN 66 11.015 2.457 -2.409
508 HG2 GLN 66 2HG GLN 66 12.204 0.654 -1.166
509 HG3 GLN 66 3HG GLN 66 10.838 -0.418 -1.468
510 HE21 GLN 66 1HE2 GLN 66 10.687 1.190 -4.224
511 HE22 GLN 66 2HE2 GLN 66 11.815 0.351 -5.177
512 H GLU 67 H GLU 67 10.802 4.436 -0.522
513 HA GLU 67 HA GLU 67 8.053 5.659 -0.585
514 HB2 GLU 67 2HB GLU 67 10.741 6.732 0.337
515 HB3 GLU 67 3HB GLU 67 9.266 7.693 0.261
516 HG2 GLU 67 2HG GLU 67 9.473 6.902 2.524
517 HG3 GLU 67 3HG GLU 67 8.174 5.978 1.776
518 H SER 68 H SER 68 7.474 6.430 -2.559
519 HA SER 68 HA SER 68 9.524 6.969 -4.622
520 HB2 SER 68 2HB SER 68 6.523 7.382 -4.800
521 HB3 SER 68 3HB SER 68 7.667 7.241 -6.130
522 HG SER 68 HG SER 68 8.003 5.101 -5.567
523 H ARG 69 H ARG 69 9.659 9.075 -5.661
524 HA ARG 69 HA ARG 69 9.198 11.307 -3.751
525 HB2 ARG 69 2HB ARG 69 10.557 12.559 -5.560
526 HB3 ARG 69 3HB ARG 69 11.405 11.335 -4.616
527 HG2 ARG 69 2HG ARG 69 11.317 9.731 -6.393
528 HG3 ARG 69 3HG ARG 69 10.120 10.664 -7.284
529 HD2 ARG 69 2HD ARG 69 11.839 11.625 -8.459
530 HD3 ARG 69 3HD ARG 69 12.353 12.421 -6.980
531 HE ARG 69 HE ARG 69 13.332 9.657 -7.585
532 HH11 ARG 69 1HH2 ARG 69 14.001 13.003 -6.814
533 HH12 ARG 69 2HH2 ARG 69 15.698 12.836 -7.094
534 HH21 ARG 69 1HH1 ARG 69 15.566 9.500 -7.914
535 HH22 ARG 69 2HH1 ARG 69 16.567 10.898 -7.701
536 H ASN 70 H ASN 70 6.868 11.330 -4.052
537 HA ASN 70 HA ASN 70 5.845 12.129 -6.732
538 HB2 ASN 70 2HB ASN 70 4.647 10.422 -5.345
539 HB3 ASN 70 3HB ASN 70 4.352 11.668 -4.132
540 HD21 ASN 70 1HD2 ASN 70 2.292 10.248 -5.738
541 HD22 ASN 70 2HD2 ASN 70 1.476 11.445 -6.621
542 H GLY 71 H GLY 71 6.277 14.271 -7.090
543 HA2 GLY 71 2HA GLY 71 6.189 16.594 -6.807
544 HA3 GLY 71 3HA GLY 71 4.806 16.292 -5.753
545 H SER 72 H SER 72 5.328 17.707 -4.091
546 HA SER 72 HA SER 72 8.030 17.697 -2.893
547 HB2 SER 72 2HB SER 72 7.193 19.494 -1.510
548 HB3 SER 72 3HB SER 72 6.633 19.783 -3.156
549 HG SER 72 HG SER 72 4.936 18.195 -1.746
550 H LYS 73 H LYS 73 5.247 15.821 -2.585
551 HA LYS 73 HA LYS 73 5.736 15.212 0.322
552 HB2 LYS 73 2HB LYS 73 3.397 14.602 -1.511
553 HB3 LYS 73 3HB LYS 73 3.534 14.042 0.157
554 HG2 LYS 73 2HG LYS 73 3.586 16.324 0.981
555 HG3 LYS 73 3HG LYS 73 3.644 16.958 -0.661
556 HD2 LYS 73 2HD LYS 73 1.366 17.164 0.125
557 HD3 LYS 73 3HD LYS 73 1.406 15.889 -1.090
558 HE2 LYS 73 2HE LYS 73 1.215 14.171 0.551
559 HE3 LYS 73 3HE LYS 73 1.652 15.262 1.868
560 HZ1 LYS 73 3HZ LYS 73 -0.528 16.418 0.694
561 HZ2 LYS 73 1HZ LYS 73 -0.513 15.549 2.150
562 HZ3 LYS 73 2HZ LYS 73 -0.896 14.760 0.695
563 H LEU 74 H LEU 74 6.315 13.165 0.933
564 HA LEU 74 HA LEU 74 7.280 11.327 -1.202
565 HB2 LEU 74 2HB LEU 74 7.573 11.266 1.821
566 HB3 LEU 74 3HB LEU 74 8.301 10.101 0.726
567 HG LEU 74 HG LEU 74 8.824 13.091 0.554
568 HD11 LEU 74 1HD1 LEU 74 10.974 12.615 1.689
569 HD12 LEU 74 2HD1 LEU 74 10.474 10.940 1.923
570 HD13 LEU 74 3HD1 LEU 74 9.600 12.241 2.730
571 HD21 LEU 74 3HD2 LEU 74 9.445 12.120 -1.521
572 HD22 LEU 74 1HD2 LEU 74 10.022 10.633 -0.771
573 HD23 LEU 74 2HD2 LEU 74 10.956 12.120 -0.627
574 H HIS 75 H HIS 75 6.011 9.679 -1.853
575 HA HIS 75 HA HIS 75 3.663 8.878 -0.161
576 HB2 HIS 75 2HB HIS 75 4.312 8.466 -3.097
577 HB3 HIS 75 3HB HIS 75 2.895 7.784 -2.297
578 HD1 HIS 75 HD1 HIS 75 1.966 9.559 -4.368
579 HD2 HIS 75 HD2 HIS 75 3.252 11.163 -0.740
580 HE1 HIS 75 HE1 HIS 75 0.923 11.862 -4.188
581 H SER 76 H SER 76 3.540 6.858 0.689
582 HA SER 76 HA SER 76 5.915 5.146 0.597
583 HB2 SER 76 2HB SER 76 3.223 4.945 1.969
584 HB3 SER 76 3HB SER 76 4.421 3.656 2.064
585 HG SER 76 HG SER 76 4.356 6.119 3.274
586 H GLU 77 H GLU 77 5.983 3.041 -0.298
587 HA GLU 77 HA GLU 77 3.695 2.167 -2.026
588 HB2 GLU 77 2HB GLU 77 6.608 2.391 -2.884
589 HB3 GLU 77 3HB GLU 77 5.380 1.500 -3.780
590 HG2 GLU 77 2HG GLU 77 5.484 3.640 -4.823
591 HG3 GLU 77 3HG GLU 77 4.028 3.676 -3.839
592 H ILE 78 H ILE 78 3.720 -0.103 -2.429
593 HA ILE 78 HA ILE 78 5.596 -1.739 -0.750
594 HB ILE 78 HB ILE 78 3.665 -3.146 -0.078
595 HG12 ILE 78 2HG1 ILE 78 1.965 -0.908 -1.235
596 HG13 ILE 78 3HG1 ILE 78 2.170 -2.478 -2.000
597 HG21 ILE 78 1HG2 ILE 78 4.513 -1.285 1.357
598 HG22 ILE 78 2HG2 ILE 78 2.801 -1.620 1.606
599 HG23 ILE 78 3HG2 ILE 78 3.296 -0.228 0.644
600 HD11 ILE 78 3HD1 ILE 78 0.926 -1.917 0.700
601 HD12 ILE 78 1HD1 ILE 78 1.314 -3.540 0.126
602 HD13 ILE 78 2HD1 ILE 78 0.125 -2.563 -0.733
603 H ARG 79 H ARG 79 5.880 -3.882 -1.521
604 HA ARG 79 HA ARG 79 4.661 -4.594 -4.141
605 HB2 ARG 79 2HB ARG 79 6.816 -3.419 -4.668
606 HB3 ARG 79 3HB ARG 79 7.670 -4.618 -3.690
607 HG2 ARG 79 2HG ARG 79 6.851 -6.423 -5.133
608 HG3 ARG 79 3HG ARG 79 5.909 -5.271 -6.072
609 HD2 ARG 79 2HD ARG 79 8.069 -4.137 -6.693
610 HD3 ARG 79 3HD ARG 79 8.924 -5.444 -5.871
611 HE ARG 79 HE ARG 79 8.129 -7.005 -7.525
612 HH11 ARG 79 1HH2 ARG 79 7.375 -3.707 -8.250
613 HH12 ARG 79 2HH2 ARG 79 6.500 -4.099 -9.687
614 HH21 ARG 79 1HH1 ARG 79 6.960 -7.512 -9.370
615 HH22 ARG 79 2HH1 ARG 79 6.252 -6.245 -10.315
616 H LEU 80 H LEU 80 4.636 -6.859 -4.484
617 HA LEU 80 HA LEU 80 4.904 -8.441 -2.009
618 HB2 LEU 80 2HB LEU 80 3.009 -8.512 -3.886
619 HB3 LEU 80 3HB LEU 80 4.119 -9.608 -4.688
620 HG LEU 80 HG LEU 80 2.574 -10.919 -3.373
621 HD11 LEU 80 1HD1 LEU 80 5.053 -11.521 -3.424
622 HD12 LEU 80 2HD1 LEU 80 4.101 -12.243 -2.127
623 HD13 LEU 80 3HD1 LEU 80 5.144 -10.866 -1.788
624 HD21 LEU 80 3HD2 LEU 80 1.903 -10.474 -1.205
625 HD22 LEU 80 1HD2 LEU 80 2.310 -8.825 -1.658
626 HD23 LEU 80 2HD2 LEU 80 3.450 -9.791 -0.726
627 H ARG 81 H ARG 81 6.765 -9.446 -1.536
628 HA ARG 81 HA ARG 81 9.069 -9.461 -3.139
629 HB2 ARG 81 2HB ARG 81 8.176 -11.208 -0.838
630 HB3 ARG 81 3HB ARG 81 9.756 -11.436 -1.576
631 HG2 ARG 81 2HG ARG 81 8.914 -8.666 -0.656
632 HG3 ARG 81 3HG ARG 81 9.520 -9.827 0.522
633 HD2 ARG 81 2HD ARG 81 11.590 -10.101 -0.833
634 HD3 ARG 81 3HD ARG 81 10.991 -8.902 -1.970
635 HE ARG 81 HE ARG 81 11.624 -7.219 -0.461
636 HH11 ARG 81 1HH2 ARG 81 11.223 -10.222 1.188
637 HH12 ARG 81 2HH2 ARG 81 12.081 -9.706 2.601
638 HH21 ARG 81 1HH1 ARG 81 12.747 -6.537 1.361
639 HH22 ARG 81 2HH1 ARG 81 12.953 -7.620 2.696
640 H HIS 82 H HIS 82 9.792 -10.706 -4.784
641 HA HIS 82 HA HIS 82 8.028 -12.533 -6.144
642 HB2 HIS 82 2HB HIS 82 11.009 -12.041 -6.448
643 HB3 HIS 82 3HB HIS 82 10.042 -13.007 -7.559
644 HD1 HIS 82 HD1 HIS 82 8.178 -11.723 -8.939
645 HD2 HIS 82 HD2 HIS 82 10.755 -9.264 -6.774
646 HE1 HIS 82 HE1 HIS 82 7.846 -9.377 -9.831
647 H ASP 83 H ASP 83 10.831 -12.970 -4.015
648 HA ASP 83 HA ASP 83 11.054 -15.805 -4.314
649 HB2 ASP 83 2HB ASP 83 12.808 -14.370 -3.297
650 HB3 ASP 83 3HB ASP 83 11.758 -14.105 -1.904
651 H GLY 84 H GLY 84 10.160 -17.495 -3.105
652 HA2 GLY 84 2HA GLY 84 7.526 -17.020 -1.971
653 HA3 GLY 84 3HA GLY 84 8.370 -18.570 -2.017
654 H LEU 85 H LEU 85 7.512 -18.759 0.243
655 HA LEU 85 HA LEU 85 8.546 -16.995 2.316
656 HB2 LEU 85 2HB LEU 85 7.120 -19.669 2.305
657 HB3 LEU 85 3HB LEU 85 7.751 -18.999 3.809
658 HG LEU 85 HG LEU 85 6.412 -16.955 3.469
659 HD11 LEU 85 1HD1 LEU 85 5.547 -18.389 0.943
660 HD12 LEU 85 2HD1 LEU 85 6.244 -16.775 1.092
661 HD13 LEU 85 3HD1 LEU 85 4.605 -17.080 1.656
662 HD21 LEU 85 3HD2 LEU 85 4.789 -19.510 3.218
663 HD22 LEU 85 1HD2 LEU 85 4.210 -17.980 3.879
664 HD23 LEU 85 2HD2 LEU 85 5.473 -18.881 4.717
665 H GLU 86 H GLU 86 10.351 -17.313 3.624
666 HA GLU 86 HA GLU 86 11.898 -19.806 3.532
667 HB2 GLU 86 2HB GLU 86 12.616 -18.628 1.449
668 HB3 GLU 86 3HB GLU 86 13.122 -17.254 2.432
669 HG2 GLU 86 2HG GLU 86 14.741 -18.655 3.620
670 HG3 GLU 86 3HG GLU 86 14.187 -20.080 2.743
671 H HIS 87 H HIS 87 12.318 -20.023 5.661
672 HA HIS 87 HA HIS 87 13.748 -17.890 7.105
673 HB2 HIS 87 2HB HIS 87 11.299 -17.346 7.390
674 HB3 HIS 87 3HB HIS 87 11.094 -18.911 8.174
675 HD1 HIS 87 HD1 HIS 87 11.879 -19.136 10.589
676 HD2 HIS 87 HD2 HIS 87 12.965 -15.492 8.885
677 HE1 HIS 87 HE1 HIS 87 12.772 -17.703 12.476
678 H HIS 88 H HIS 88 13.878 -20.827 6.208
679 HA HIS 88 HA HIS 88 13.857 -22.476 8.556
680 HB2 HIS 88 2HB HIS 88 15.423 -22.741 5.970
681 HB3 HIS 88 3HB HIS 88 15.271 -24.009 7.186
682 HD1 HIS 88 HD1 HIS 88 12.652 -24.676 7.748
683 HD2 HIS 88 HD2 HIS 88 13.377 -22.765 4.114
684 HE1 HIS 88 HE1 HIS 88 10.626 -25.112 6.291
685 H HIS 89 H HIS 89 16.403 -20.566 6.978
686 HA HIS 89 HA HIS 89 18.554 -19.980 7.701
687 HB2 HIS 89 2HB HIS 89 17.157 -20.170 10.387
688 HB3 HIS 89 3HB HIS 89 18.720 -19.404 10.113
689 HD1 HIS 89 HD1 HIS 89 18.546 -17.540 7.982
690 HD2 HIS 89 HD2 HIS 89 15.127 -18.317 10.236
691 HE1 HIS 89 HE1 HIS 89 16.980 -15.584 7.607
692 H HIS 90 H HIS 90 20.304 -20.691 9.486
693 HA HIS 90 HA HIS 90 20.885 -23.452 8.944
694 HB2 HIS 90 2HB HIS 90 22.062 -21.505 10.954
695 HB3 HIS 90 3HB HIS 90 22.727 -23.106 10.637
696 HD1 HIS 90 HD1 HIS 90 22.083 -19.795 8.912
697 HD2 HIS 90 HD2 HIS 90 24.266 -23.293 8.301
698 HE1 HIS 90 HE1 HIS 90 23.571 -19.369 6.908
699 H HIS 91 H HIS 91 19.558 -21.777 11.788
700 HA HIS 91 HA HIS 91 19.610 -23.896 13.638
701 HB2 HIS 91 2HB HIS 91 17.476 -21.779 13.252
702 HB3 HIS 91 3HB HIS 91 17.646 -22.789 14.688
703 HD1 HIS 91 HD1 HIS 91 19.271 -19.943 12.857
704 HD2 HIS 91 HD2 HIS 91 19.846 -22.118 16.366
705 HE1 HIS 91 HE1 HIS 91 21.010 -18.683 14.203
706 H HIS 92 H HIS 92 16.518 -22.989 12.170
707 HA HIS 92 HA HIS 92 15.587 -25.765 12.309
708 HB2 HIS 92 2HB HIS 92 14.289 -23.305 11.095
709 HB3 HIS 92 3HB HIS 92 13.490 -24.849 11.396
710 HD1 HIS 92 HD1 HIS 92 13.587 -25.641 14.032
711 HD2 HIS 92 HD2 HIS 92 14.183 -21.588 13.261
712 HE1 HIS 92 HE1 HIS 92 13.220 -24.432 16.228
Start of MODEL 2
1 H1 MET 1 1H MET 1 -12.701 -8.555 19.306
2 H2 MET 1 2H MET 1 -11.242 -8.369 20.158
3 H3 MET 1 3H MET 1 -11.250 -9.106 18.627
4 HA MET 1 HA MET 1 -12.403 -6.482 18.585
5 HB2 MET 1 2HB MET 1 -9.507 -6.848 19.412
6 HB3 MET 1 3HB MET 1 -10.191 -5.332 18.825
7 HG2 MET 1 2HG MET 1 -11.299 -6.828 21.219
8 HG3 MET 1 3HG MET 1 -10.091 -5.548 21.350
9 HE1 MET 1 3HE MET 1 -12.227 -5.224 22.992
10 HE2 MET 1 1HE MET 1 -13.629 -5.906 22.157
11 HE3 MET 1 2HE MET 1 -13.588 -4.192 22.562
12 HA PRO 2 HA PRO 2 -10.383 -8.710 14.867
13 HB2 PRO 2 2HB PRO 2 -12.712 -9.149 13.430
14 HB3 PRO 2 3HB PRO 2 -12.048 -10.319 14.591
15 HG2 PRO 2 2HG PRO 2 -14.200 -8.263 15.017
16 HG3 PRO 2 3HG PRO 2 -14.190 -9.978 15.481
17 HD2 PRO 2 2HD PRO 2 -13.625 -8.078 17.306
18 HD3 PRO 2 3HD PRO 2 -12.719 -9.610 17.300
19 H HIS 3 H HIS 3 -9.926 -7.629 12.914
20 HA HIS 3 HA HIS 3 -11.549 -5.290 12.096
21 HB2 HIS 3 2HB HIS 3 -9.520 -3.809 12.114
22 HB3 HIS 3 3HB HIS 3 -10.051 -4.280 13.729
23 HD1 HIS 3 HD1 HIS 3 -7.158 -4.400 11.482
24 HD2 HIS 3 HD2 HIS 3 -8.452 -6.521 14.830
25 HE1 HIS 3 HE1 HIS 3 -5.143 -5.661 12.354
26 H LYS 4 H LYS 4 -8.469 -7.037 11.587
27 HA LYS 4 HA LYS 4 -8.462 -6.399 8.719
28 HB2 LYS 4 2HB LYS 4 -6.435 -7.816 8.669
29 HB3 LYS 4 3HB LYS 4 -6.342 -6.604 9.945
30 HG2 LYS 4 2HG LYS 4 -7.147 -8.330 11.575
31 HG3 LYS 4 3HG LYS 4 -7.072 -9.532 10.285
32 HD2 LYS 4 2HD LYS 4 -4.672 -9.113 9.999
33 HD3 LYS 4 3HD LYS 4 -4.725 -7.873 11.253
34 HE2 LYS 4 2HE LYS 4 -3.905 -9.984 12.195
35 HE3 LYS 4 3HE LYS 4 -5.473 -9.577 12.890
36 HZ1 LYS 4 3HZ LYS 4 -5.413 -11.888 12.257
37 HZ2 LYS 4 1HZ LYS 4 -4.977 -11.485 10.670
38 HZ3 LYS 4 2HZ LYS 4 -6.512 -11.058 11.262
39 H GLU 5 H GLU 5 -8.723 -7.964 7.033
40 HA GLU 5 HA GLU 5 -10.852 -9.823 7.394
41 HB2 GLU 5 2HB GLU 5 -8.728 -9.638 5.238
42 HB3 GLU 5 3HB GLU 5 -10.136 -10.693 5.141
43 HG2 GLU 5 2HG GLU 5 -11.635 -8.769 5.275
44 HG3 GLU 5 3HG GLU 5 -10.265 -7.683 5.494
45 H LYS 6 H LYS 6 -10.817 -12.122 7.590
46 HA LYS 6 HA LYS 6 -8.537 -13.198 9.065
47 HB2 LYS 6 2HB LYS 6 -11.023 -14.554 7.989
48 HB3 LYS 6 3HB LYS 6 -9.876 -15.285 9.109
49 HG2 LYS 6 2HG LYS 6 -10.332 -13.390 10.702
50 HG3 LYS 6 3HG LYS 6 -11.607 -12.845 9.614
51 HD2 LYS 6 2HD LYS 6 -11.502 -15.623 10.838
52 HD3 LYS 6 3HD LYS 6 -12.419 -14.288 11.527
53 HE2 LYS 6 2HE LYS 6 -13.582 -14.112 9.225
54 HE3 LYS 6 3HE LYS 6 -12.871 -15.688 8.877
55 HZ1 LYS 6 3HZ LYS 6 -14.906 -16.216 9.770
56 HZ2 LYS 6 1HZ LYS 6 -14.864 -14.968 10.918
57 HZ3 LYS 6 2HZ LYS 6 -13.884 -16.341 11.122
58 H HIS 7 H HIS 7 -9.148 -12.778 5.797
59 HA HIS 7 HA HIS 7 -8.107 -15.279 4.781
60 HB2 HIS 7 2HB HIS 7 -8.492 -12.532 3.556
61 HB3 HIS 7 3HB HIS 7 -7.867 -13.895 2.631
62 HD1 HIS 7 HD1 HIS 7 -9.501 -15.878 2.154
63 HD2 HIS 7 HD2 HIS 7 -11.257 -12.691 4.187
64 HE1 HIS 7 HE1 HIS 7 -12.002 -16.266 2.070
65 HA PRO 8 HA PRO 8 -3.697 -14.835 5.330
66 HB2 PRO 8 2HB PRO 8 -3.377 -15.050 2.342
67 HB3 PRO 8 3HB PRO 8 -2.571 -15.974 3.627
68 HG2 PRO 8 2HG PRO 8 -4.600 -16.986 2.128
69 HG3 PRO 8 3HG PRO 8 -4.292 -17.485 3.801
70 HD2 PRO 8 2HD PRO 8 -6.529 -15.841 2.743
71 HD3 PRO 8 3HD PRO 8 -6.409 -16.723 4.277
72 H LEU 9 H LEU 9 -2.322 -13.073 5.443
73 HA LEU 9 HA LEU 9 -3.191 -10.517 4.486
74 HB2 LEU 9 2HB LEU 9 -0.374 -11.279 5.318
75 HB3 LEU 9 3HB LEU 9 -1.094 -9.671 5.354
76 HG LEU 9 HG LEU 9 -2.008 -12.042 7.013
77 HD11 LEU 9 1HD1 LEU 9 -1.082 -10.710 8.903
78 HD12 LEU 9 2HD1 LEU 9 -0.451 -9.542 7.742
79 HD13 LEU 9 3HD1 LEU 9 0.157 -11.197 7.749
80 HD21 LEU 9 3HD2 LEU 9 -2.994 -9.183 6.765
81 HD22 LEU 9 1HD2 LEU 9 -3.266 -10.117 8.237
82 HD23 LEU 9 2HD2 LEU 9 -3.930 -10.676 6.708
83 H GLN 10 H GLN 10 -0.735 -12.798 3.285
84 HA GLN 10 HA GLN 10 0.351 -11.172 1.234
85 HB2 GLN 10 2HB GLN 10 1.272 -13.379 1.937
86 HB3 GLN 10 3HB GLN 10 -0.103 -14.172 1.171
87 HG2 GLN 10 2HG GLN 10 0.551 -13.284 -1.013
88 HG3 GLN 10 3HG GLN 10 1.873 -12.379 -0.274
89 HE21 GLN 10 1HE2 GLN 10 3.850 -13.430 -0.467
90 HE22 GLN 10 2HE2 GLN 10 4.060 -15.113 -0.539
91 H ASP 11 H ASP 11 -2.437 -13.400 1.131
92 HA ASP 11 HA ASP 11 -3.071 -12.925 -1.621
93 HB2 ASP 11 2HB ASP 11 -4.752 -13.834 0.733
94 HB3 ASP 11 3HB ASP 11 -5.381 -13.750 -0.913
95 H MET 12 H MET 12 -4.066 -11.304 1.389
96 HA MET 12 HA MET 12 -6.044 -9.605 0.231
97 HB2 MET 12 2HB MET 12 -5.724 -9.972 2.679
98 HB3 MET 12 3HB MET 12 -4.236 -9.033 2.597
99 HG2 MET 12 2HG MET 12 -5.479 -7.059 1.860
100 HG3 MET 12 3HG MET 12 -6.976 -7.990 1.821
101 HE1 MET 12 3HE MET 12 -8.177 -6.349 3.204
102 HE2 MET 12 1HE MET 12 -6.797 -5.269 3.463
103 HE3 MET 12 2HE MET 12 -7.767 -5.812 4.831
104 H PHE 13 H PHE 13 -2.588 -8.913 0.956
105 HA PHE 13 HA PHE 13 -2.662 -6.342 -0.369
106 HB2 PHE 13 2HB PHE 13 -0.344 -8.143 0.410
107 HB3 PHE 13 3HB PHE 13 -0.140 -6.529 -0.271
108 HD1 PHE 13 HD1 PHE 13 -1.525 -4.613 0.891
109 HD2 PHE 13 HD2 PHE 13 -0.493 -8.333 2.784
110 HE1 PHE 13 HE1 PHE 13 -1.843 -3.573 3.120
111 HE2 PHE 13 HE2 PHE 13 -0.817 -7.289 5.008
112 HZ PHE 13 HZ PHE 13 -1.492 -4.912 5.176
113 H THR 14 H THR 14 -1.620 -9.591 -1.377
114 HA THR 14 HA THR 14 -0.552 -8.856 -3.908
115 HB THR 14 HB THR 14 -1.967 -11.426 -3.122
116 HG1 THR 14 HG1 THR 14 0.386 -10.329 -2.430
117 HG21 THR 14 3HG2 THR 14 -1.784 -11.340 -5.522
118 HG22 THR 14 1HG2 THR 14 -0.483 -12.379 -4.944
119 HG23 THR 14 2HG2 THR 14 -0.135 -10.722 -5.431
120 H SER 15 H SER 15 -3.864 -9.800 -2.985
121 HA SER 15 HA SER 15 -4.972 -9.678 -5.610
122 HB2 SER 15 2HB SER 15 -6.346 -9.110 -2.972
123 HB3 SER 15 3HB SER 15 -7.141 -9.524 -4.488
124 HG SER 15 HG SER 15 -6.579 -11.547 -4.231
125 H ALA 16 H ALA 16 -4.661 -7.169 -3.082
126 HA ALA 16 HA ALA 16 -6.082 -5.157 -4.568
127 HB1 ALA 16 3HB ALA 16 -3.936 -4.707 -2.476
128 HB2 ALA 16 1HB ALA 16 -5.611 -5.104 -2.092
129 HB3 ALA 16 2HB ALA 16 -5.234 -3.602 -2.935
130 H ILE 17 H ILE 17 -2.607 -5.941 -4.304
131 HA ILE 17 HA ILE 17 -1.669 -3.721 -5.839
132 HB ILE 17 HB ILE 17 -0.531 -6.499 -5.390
133 HG12 ILE 17 2HG1 ILE 17 0.346 -3.834 -4.224
134 HG13 ILE 17 3HG1 ILE 17 -0.837 -4.869 -3.428
135 HG21 ILE 17 1HG2 ILE 17 0.701 -4.081 -6.744
136 HG22 ILE 17 2HG2 ILE 17 0.523 -5.706 -7.406
137 HG23 ILE 17 3HG2 ILE 17 1.666 -5.410 -6.104
138 HD11 ILE 17 3HD1 ILE 17 1.993 -5.674 -4.169
139 HD12 ILE 17 1HD1 ILE 17 0.807 -6.711 -3.374
140 HD13 ILE 17 2HD1 ILE 17 1.429 -5.284 -2.544
141 H GLU 18 H GLU 18 -2.575 -7.024 -6.801
142 HA GLU 18 HA GLU 18 -1.980 -6.654 -9.591
143 HB2 GLU 18 2HB GLU 18 -3.837 -8.584 -8.167
144 HB3 GLU 18 3HB GLU 18 -3.451 -8.677 -9.887
145 HG2 GLU 18 2HG GLU 18 -1.075 -8.939 -9.377
146 HG3 GLU 18 3HG GLU 18 -1.399 -8.745 -7.655
147 H ALA 19 H ALA 19 -4.822 -5.979 -7.620
148 HA ALA 19 HA ALA 19 -6.685 -5.629 -9.759
149 HB1 ALA 19 3HB ALA 19 -7.403 -5.814 -7.425
150 HB2 ALA 19 1HB ALA 19 -7.986 -4.305 -8.126
151 HB3 ALA 19 2HB ALA 19 -6.597 -4.293 -7.040
152 H VAL 20 H VAL 20 -4.430 -3.332 -8.201
153 HA VAL 20 HA VAL 20 -5.025 -1.361 -10.416
154 HB VAL 20 HB VAL 20 -4.594 0.443 -8.836
155 HG11 VAL 20 1HG1 VAL 20 -6.892 -0.457 -9.040
156 HG12 VAL 20 2HG1 VAL 20 -6.582 0.171 -7.421
157 HG13 VAL 20 3HG1 VAL 20 -6.564 -1.569 -7.711
158 HG21 VAL 20 3HG2 VAL 20 -4.119 -1.816 -6.871
159 HG22 VAL 20 1HG2 VAL 20 -4.400 -0.150 -6.369
160 HG23 VAL 20 2HG2 VAL 20 -2.984 -0.550 -7.338
161 H ALA 21 H ALA 21 -2.879 -3.486 -10.210
162 HA ALA 21 HA ALA 21 -0.379 -2.387 -9.551
163 HB1 ALA 21 3HB ALA 21 0.526 -3.961 -11.334
164 HB2 ALA 21 1HB ALA 21 -1.149 -4.344 -11.735
165 HB3 ALA 21 2HB ALA 21 -0.517 -4.723 -10.135
166 H ARG 22 H ARG 22 -2.352 -1.880 -12.470
167 HA ARG 22 HA ARG 22 -1.972 -0.509 -14.371
168 HB2 ARG 22 2HB ARG 22 -0.773 1.125 -12.131
169 HB3 ARG 22 3HB ARG 22 -0.980 1.762 -13.756
170 HG2 ARG 22 2HG ARG 22 -3.395 1.487 -13.614
171 HG3 ARG 22 3HG ARG 22 -3.248 0.724 -12.027
172 HD2 ARG 22 2HD ARG 22 -2.335 3.548 -12.700
173 HD3 ARG 22 3HD ARG 22 -3.817 3.143 -11.814
174 HE ARG 22 HE ARG 22 -1.093 2.332 -10.845
175 HH11 ARG 22 1HH2 ARG 22 -3.965 4.107 -10.217
176 HH12 ARG 22 2HH2 ARG 22 -3.954 3.762 -8.519
177 HH21 ARG 22 1HH1 ARG 22 -1.079 1.825 -8.678
178 HH22 ARG 22 2HH1 ARG 22 -2.316 2.458 -7.641
179 H ASP 23 H ASP 23 -0.302 -2.141 -15.166
180 HA ASP 23 HA ASP 23 1.799 -2.614 -16.070
181 HB2 ASP 23 2HB ASP 23 2.098 0.398 -15.787
182 HB3 ASP 23 3HB ASP 23 3.185 -0.641 -16.698
183 H SER 24 H SER 24 3.962 -3.023 -15.484
184 HA SER 24 HA SER 24 5.678 -3.493 -13.979
185 HB2 SER 24 2HB SER 24 4.973 -0.905 -12.573
186 HB3 SER 24 3HB SER 24 6.556 -1.660 -12.752
187 HG SER 24 HG SER 24 6.416 -1.233 -14.987
188 H GLY 25 H GLY 25 6.110 -4.143 -11.749
189 HA2 GLY 25 2HA GLY 25 3.698 -5.191 -10.447
190 HA3 GLY 25 3HA GLY 25 5.362 -5.481 -9.947
191 H TRP 26 H TRP 26 5.147 -2.221 -10.380
192 HA TRP 26 HA TRP 26 4.988 -1.740 -7.471
193 HB2 TRP 26 2HB TRP 26 5.515 0.092 -9.835
194 HB3 TRP 26 3HB TRP 26 5.530 0.623 -8.155
195 HD1 TRP 26 HD1 TRP 26 7.754 -0.727 -10.747
196 HE1 TRP 26 HE1 TRP 26 9.986 -1.506 -9.720
197 HE3 TRP 26 HE3 TRP 26 6.499 -0.720 -5.798
198 HZ2 TRP 26 HZ2 TRP 26 11.093 -2.058 -7.140
199 HZ3 TRP 26 HZ3 TRP 26 8.158 -1.376 -4.076
200 HH2 TRP 26 HH2 TRP 26 10.452 -2.047 -4.742
201 H ALA 27 H ALA 27 3.368 -0.516 -6.466
202 HA ALA 27 HA ALA 27 1.118 0.568 -8.105
203 HB1 ALA 27 3HB ALA 27 -0.551 -0.597 -6.788
204 HB2 ALA 27 1HB ALA 27 0.692 -1.302 -5.751
205 HB3 ALA 27 2HB ALA 27 0.566 -1.798 -7.437
206 H GLU 28 H GLU 28 0.253 2.416 -7.176
207 HA GLU 28 HA GLU 28 1.725 3.696 -5.065
208 HB2 GLU 28 2HB GLU 28 -0.965 4.338 -6.313
209 HB3 GLU 28 3HB GLU 28 -0.143 5.391 -5.162
210 HG2 GLU 28 2HG GLU 28 1.779 5.584 -6.660
211 HG3 GLU 28 3HG GLU 28 1.035 4.462 -7.797
212 H LEU 29 H LEU 29 1.430 3.600 -2.886
213 HA LEU 29 HA LEU 29 -0.210 1.656 -1.670
214 HB2 LEU 29 2HB LEU 29 1.799 2.858 -0.651
215 HB3 LEU 29 3HB LEU 29 0.727 4.227 -0.357
216 HG LEU 29 HG LEU 29 -0.810 2.370 0.829
217 HD11 LEU 29 1HD1 LEU 29 0.493 0.616 1.913
218 HD12 LEU 29 2HD1 LEU 29 1.969 1.192 1.140
219 HD13 LEU 29 3HD1 LEU 29 0.683 0.475 0.166
220 HD21 LEU 29 3HD2 LEU 29 0.090 4.265 2.036
221 HD22 LEU 29 1HD2 LEU 29 1.704 3.558 2.035
222 HD23 LEU 29 2HD2 LEU 29 0.417 2.812 2.980
223 H SER 30 H SER 30 -0.857 5.094 -2.318
224 HA SER 30 HA SER 30 -3.223 5.363 -0.789
225 HB2 SER 30 2HB SER 30 -2.096 7.247 -1.939
226 HB3 SER 30 3HB SER 30 -2.602 6.593 -3.492
227 HG SER 30 HG SER 30 -3.936 8.249 -2.061
228 H ALA 31 H ALA 31 -2.793 4.182 -4.133
229 HA ALA 31 HA ALA 31 -5.576 3.747 -4.643
230 HB1 ALA 31 3HB ALA 31 -3.749 3.751 -6.383
231 HB2 ALA 31 1HB ALA 31 -4.849 2.378 -6.504
232 HB3 ALA 31 2HB ALA 31 -3.251 2.167 -5.787
233 H VAL 32 H VAL 32 -3.055 1.698 -3.195
234 HA VAL 32 HA VAL 32 -4.607 -0.701 -3.048
235 HB VAL 32 HB VAL 32 -2.368 0.296 -1.255
236 HG11 VAL 32 1HG1 VAL 32 -2.061 -2.183 -0.805
237 HG12 VAL 32 2HG1 VAL 32 -3.628 -2.444 -1.570
238 HG13 VAL 32 3HG1 VAL 32 -3.515 -1.482 -0.097
239 HG21 VAL 32 3HG2 VAL 32 -2.304 -1.613 -3.614
240 HG22 VAL 32 1HG2 VAL 32 -0.918 -1.042 -2.685
241 HG23 VAL 32 2HG2 VAL 32 -1.826 0.083 -3.692
242 H GLY 33 H GLY 33 -4.082 1.901 -0.641
243 HA2 GLY 33 2HA GLY 33 -5.740 0.796 1.386
244 HA3 GLY 33 3HA GLY 33 -5.367 2.511 1.228
245 H SER 34 H SER 34 -6.547 3.161 -1.173
246 HA SER 34 HA SER 34 -9.307 3.409 -0.462
247 HB2 SER 34 2HB SER 34 -8.066 3.690 -3.213
248 HB3 SER 34 3HB SER 34 -9.613 4.351 -2.694
249 HG SER 34 HG SER 34 -7.028 4.994 -1.705
250 H TYR 35 H TYR 35 -7.625 1.225 -2.716
251 HA TYR 35 HA TYR 35 -9.939 -0.041 -3.782
252 HB2 TYR 35 2HB TYR 35 -7.709 -0.343 -4.763
253 HB3 TYR 35 3HB TYR 35 -7.164 -1.173 -3.306
254 HD1 TYR 35 HD2 TYR 35 -9.363 -1.403 -6.278
255 HD2 TYR 35 HD1 TYR 35 -7.831 -3.476 -2.836
256 HE1 TYR 35 HE2 TYR 35 -10.226 -3.546 -7.180
257 HE2 TYR 35 HE1 TYR 35 -8.697 -5.616 -3.742
258 HH TYR 35 HH TYR 35 -9.995 -6.553 -5.308
259 H LEU 36 H LEU 36 -7.912 -0.933 -0.971
260 HA LEU 36 HA LEU 36 -9.419 -3.250 -0.251
261 HB2 LEU 36 2HB LEU 36 -7.755 -1.353 1.433
262 HB3 LEU 36 3HB LEU 36 -8.399 -2.874 2.035
263 HG LEU 36 HG LEU 36 -6.606 -2.690 -0.413
264 HD11 LEU 36 1HD1 LEU 36 -5.857 -3.283 2.470
265 HD12 LEU 36 2HD1 LEU 36 -5.377 -1.865 1.539
266 HD13 LEU 36 3HD1 LEU 36 -4.778 -3.459 1.086
267 HD21 LEU 36 3HD2 LEU 36 -6.207 -5.176 0.346
268 HD22 LEU 36 1HD2 LEU 36 -7.702 -4.790 -0.495
269 HD23 LEU 36 2HD2 LEU 36 -7.701 -4.975 1.258
270 H ALA 37 H ALA 37 -9.733 0.165 0.716
271 HA ALA 37 HA ALA 37 -11.775 -0.177 2.650
272 HB1 ALA 37 3HB ALA 37 -11.305 2.096 0.699
273 HB2 ALA 37 1HB ALA 37 -10.718 1.986 2.360
274 HB3 ALA 37 2HB ALA 37 -12.444 2.175 2.045
275 H LYS 38 H LYS 38 -12.033 0.179 -0.891
276 HA LYS 38 HA LYS 38 -14.896 0.161 -0.981
277 HB2 LYS 38 2HB LYS 38 -12.826 -0.700 -3.025
278 HB3 LYS 38 3HB LYS 38 -14.550 -0.559 -3.372
279 HG2 LYS 38 2HG LYS 38 -14.497 1.820 -2.745
280 HG3 LYS 38 3HG LYS 38 -12.778 1.691 -2.369
281 HD2 LYS 38 2HD LYS 38 -12.282 1.108 -4.694
282 HD3 LYS 38 3HD LYS 38 -14.001 1.145 -5.090
283 HE2 LYS 38 2HE LYS 38 -12.951 3.255 -5.761
284 HE3 LYS 38 3HE LYS 38 -14.077 3.541 -4.435
285 HZ1 LYS 38 3HZ LYS 38 -12.428 4.083 -3.037
286 HZ2 LYS 38 1HZ LYS 38 -11.540 4.379 -4.452
287 HZ3 LYS 38 2HZ LYS 38 -11.369 2.897 -3.638
288 H ASN 39 H ASN 39 -12.487 -2.459 -1.158
289 HA ASN 39 HA ASN 39 -14.621 -4.518 -1.286
290 HB2 ASN 39 2HB ASN 39 -11.590 -4.697 -1.231
291 HB3 ASN 39 3HB ASN 39 -12.665 -6.089 -1.352
292 HD21 ASN 39 1HD2 ASN 39 -10.755 -4.307 -3.301
293 HD22 ASN 39 2HD2 ASN 39 -11.667 -4.314 -4.732
294 H ASP 40 H ASP 40 -13.455 -2.661 1.107
295 HA ASP 40 HA ASP 40 -14.244 -4.540 3.202
296 HB2 ASP 40 2HB ASP 40 -11.831 -5.137 2.732
297 HB3 ASP 40 3HB ASP 40 -11.389 -3.508 3.237
298 HA PRO 41 HA PRO 41 -14.723 0.072 3.885
299 HB2 PRO 41 2HB PRO 41 -17.392 0.031 4.634
300 HB3 PRO 41 3HB PRO 41 -16.848 0.207 2.952
301 HG2 PRO 41 2HG PRO 41 -17.822 -2.239 4.376
302 HG3 PRO 41 3HG PRO 41 -18.145 -1.704 2.716
303 HD2 PRO 41 2HD PRO 41 -16.320 -3.656 3.293
304 HD3 PRO 41 3HD PRO 41 -16.122 -2.572 1.901
305 H SER 42 H SER 42 -15.176 -2.781 5.745
306 HA SER 42 HA SER 42 -15.632 -1.467 8.308
307 HB2 SER 42 2HB SER 42 -14.585 -4.247 7.665
308 HB3 SER 42 3HB SER 42 -15.060 -3.688 9.266
309 HG SER 42 HG SER 42 -16.779 -3.582 7.017
310 H PHE 43 H PHE 43 -13.004 -1.664 6.217
311 HA PHE 43 HA PHE 43 -10.862 -1.873 8.180
312 HB2 PHE 43 2HB PHE 43 -10.548 -2.462 5.788
313 HB3 PHE 43 3HB PHE 43 -10.782 -0.767 5.356
314 HD1 PHE 43 HD2 PHE 43 -8.753 -2.916 7.667
315 HD2 PHE 43 HD1 PHE 43 -8.856 0.626 5.240
316 HE1 PHE 43 HE2 PHE 43 -6.362 -2.497 8.175
317 HE2 PHE 43 HE1 PHE 43 -6.464 1.044 5.752
318 HZ PHE 43 HZ PHE 43 -5.219 -0.519 7.218
319 H ASP 44 H ASP 44 -9.871 -0.261 9.288
320 HA ASP 44 HA ASP 44 -10.836 2.577 8.915
321 HB2 ASP 44 2HB ASP 44 -9.916 1.155 11.423
322 HB3 ASP 44 3HB ASP 44 -10.407 2.843 11.323
323 HA PRO 45 HA PRO 45 -6.249 2.641 8.078
324 HB2 PRO 45 2HB PRO 45 -6.841 5.185 6.663
325 HB3 PRO 45 3HB PRO 45 -6.073 3.716 6.034
326 HG2 PRO 45 2HG PRO 45 -8.604 4.528 5.352
327 HG3 PRO 45 3HG PRO 45 -8.058 2.843 5.306
328 HD2 PRO 45 2HD PRO 45 -9.828 4.188 7.322
329 HD3 PRO 45 3HD PRO 45 -9.807 2.493 6.792
330 H ARG 46 H ARG 46 -8.433 4.774 9.587
331 HA ARG 46 HA ARG 46 -6.669 6.900 10.375
332 HB2 ARG 46 2HB ARG 46 -9.267 5.851 11.547
333 HB3 ARG 46 3HB ARG 46 -8.405 7.210 12.258
334 HG2 ARG 46 2HG ARG 46 -10.264 7.859 10.662
335 HG3 ARG 46 3HG ARG 46 -8.695 8.553 10.285
336 HD2 ARG 46 2HD ARG 46 -8.437 7.234 8.362
337 HD3 ARG 46 3HD ARG 46 -9.475 5.959 8.969
338 HE ARG 46 HE ARG 46 -11.342 7.797 8.665
339 HH11 ARG 46 1HH2 ARG 46 -8.584 7.297 6.595
340 HH12 ARG 46 2HH2 ARG 46 -9.493 7.523 5.143
341 HH21 ARG 46 1HH1 ARG 46 -12.514 8.012 6.765
342 HH22 ARG 46 2HH1 ARG 46 -11.708 7.912 5.234
343 H ASN 47 H ASN 47 -7.568 3.799 11.786
344 HA ASN 47 HA ASN 47 -6.112 4.075 14.243
345 HB2 ASN 47 2HB ASN 47 -6.717 1.551 12.667
346 HB3 ASN 47 3HB ASN 47 -6.226 1.612 14.359
347 HD21 ASN 47 1HD2 ASN 47 -7.845 4.007 15.001
348 HD22 ASN 47 2HD2 ASN 47 -9.467 3.505 14.994
349 H TRP 48 H TRP 48 -5.189 2.971 10.995
350 HA TRP 48 HA TRP 48 -2.399 2.438 11.894
351 HB2 TRP 48 2HB TRP 48 -3.710 2.154 9.168
352 HB3 TRP 48 3HB TRP 48 -2.076 1.635 9.585
353 HD1 TRP 48 HD1 TRP 48 -5.521 0.373 9.454
354 HE1 TRP 48 HE1 TRP 48 -5.745 -1.844 10.751
355 HE3 TRP 48 HE3 TRP 48 -1.098 0.393 12.011
356 HZ2 TRP 48 HZ2 TRP 48 -4.251 -3.399 12.629
357 HZ3 TRP 48 HZ3 TRP 48 -0.526 -1.465 13.548
358 HH2 TRP 48 HH2 TRP 48 -2.095 -3.359 13.859
359 H GLY 49 H GLY 49 -3.767 5.153 11.728
360 HA2 GLY 49 2HA GLY 49 -3.008 7.328 11.264
361 HA3 GLY 49 3HA GLY 49 -1.493 6.615 10.712
362 H HIS 50 H HIS 50 -2.752 8.781 9.371
363 HA HIS 50 HA HIS 50 -4.242 7.771 7.067
364 HB2 HIS 50 2HB HIS 50 -4.012 10.092 6.231
365 HB3 HIS 50 3HB HIS 50 -4.603 10.056 7.892
366 HD1 HIS 50 HD1 HIS 50 -1.430 10.689 5.915
367 HD2 HIS 50 HD2 HIS 50 -2.932 11.309 9.755
368 HE1 HIS 50 HE1 HIS 50 0.256 12.149 7.115
369 H GLY 51 H GLY 51 -0.919 8.091 7.920
370 HA2 GLY 51 2HA GLY 51 -0.091 7.302 5.143
371 HA3 GLY 51 3HA GLY 51 0.770 8.583 5.993
372 H ARG 52 H ARG 52 0.199 6.976 8.583
373 HA ARG 52 HA ARG 52 2.730 5.605 8.614
374 HB2 ARG 52 2HB ARG 52 0.453 5.216 10.584
375 HB3 ARG 52 3HB ARG 52 2.164 4.916 10.861
376 HG2 ARG 52 2HG ARG 52 0.844 7.615 10.418
377 HG3 ARG 52 3HG ARG 52 1.582 7.028 11.904
378 HD2 ARG 52 2HD ARG 52 3.747 6.769 10.346
379 HD3 ARG 52 3HD ARG 52 2.916 8.008 9.394
380 HE ARG 52 HE ARG 52 3.168 8.556 12.286
381 HH11 ARG 52 1HH2 ARG 52 4.365 9.024 9.063
382 HH12 ARG 52 2HH2 ARG 52 5.370 10.363 9.500
383 HH21 ARG 52 1HH1 ARG 52 4.521 10.258 12.866
384 HH22 ARG 52 2HH1 ARG 52 5.466 11.057 11.653
385 H LEU 53 H LEU 53 0.038 4.774 7.021
386 HA LEU 53 HA LEU 53 -0.345 2.016 7.656
387 HB2 LEU 53 2HB LEU 53 -1.916 3.314 6.250
388 HB3 LEU 53 3HB LEU 53 -0.683 3.465 5.004
389 HG LEU 53 HG LEU 53 -0.669 0.990 4.737
390 HD11 LEU 53 1HD1 LEU 53 -2.734 1.158 6.947
391 HD12 LEU 53 2HD1 LEU 53 -1.342 0.079 6.811
392 HD13 LEU 53 3HD1 LEU 53 -2.757 -0.181 5.798
393 HD21 LEU 53 3HD2 LEU 53 -2.118 2.419 3.340
394 HD22 LEU 53 1HD2 LEU 53 -3.414 2.265 4.526
395 HD23 LEU 53 2HD2 LEU 53 -2.865 0.848 3.631
396 H SER 54 H SER 54 1.925 3.700 5.499
397 HA SER 54 HA SER 54 3.032 1.421 4.203
398 HB2 SER 54 2HB SER 54 3.538 3.765 3.552
399 HB3 SER 54 3HB SER 54 4.447 3.971 5.045
400 HG SER 54 HG SER 54 5.377 3.111 2.796
401 H GLN 55 H GLN 55 3.872 2.990 7.279
402 HA GLN 55 HA GLN 55 6.098 1.287 7.888
403 HB2 GLN 55 2HB GLN 55 5.648 3.484 8.990
404 HB3 GLN 55 3HB GLN 55 4.276 2.750 9.821
405 HG2 GLN 55 2HG GLN 55 5.744 1.157 10.938
406 HG3 GLN 55 3HG GLN 55 7.131 1.749 10.021
407 HE21 GLN 55 1HE2 GLN 55 7.077 1.815 12.901
408 HE22 GLN 55 2HE2 GLN 55 7.050 3.439 13.391
409 H MET 56 H MET 56 2.606 0.925 8.345
410 HA MET 56 HA MET 56 2.714 -1.196 10.265
411 HB2 MET 56 2HB MET 56 0.654 0.071 9.702
412 HB3 MET 56 3HB MET 56 0.642 -0.680 8.109
413 HG2 MET 56 2HG MET 56 0.687 -2.423 10.582
414 HG3 MET 56 3HG MET 56 -0.831 -1.729 10.014
415 HE1 MET 56 3HE MET 56 -1.754 -4.932 8.404
416 HE2 MET 56 1HE MET 56 -2.343 -3.305 8.761
417 HE3 MET 56 2HE MET 56 -1.541 -4.246 10.017
418 H VAL 57 H VAL 57 2.487 -1.288 6.688
419 HA VAL 57 HA VAL 57 2.633 -4.174 6.566
420 HB VAL 57 HB VAL 57 3.110 -3.755 4.113
421 HG11 VAL 57 1HG1 VAL 57 0.804 -3.962 4.960
422 HG12 VAL 57 2HG1 VAL 57 0.886 -2.774 3.661
423 HG13 VAL 57 3HG1 VAL 57 0.781 -2.240 5.339
424 HG21 VAL 57 3HG2 VAL 57 2.762 -0.851 4.928
425 HG22 VAL 57 1HG2 VAL 57 3.019 -1.464 3.295
426 HG23 VAL 57 2HG2 VAL 57 4.305 -1.580 4.492
427 H LYS 58 H LYS 58 4.984 -1.712 7.005
428 HA LYS 58 HA LYS 58 7.268 -2.938 5.816
429 HB2 LYS 58 2HB LYS 58 7.142 -0.581 6.711
430 HB3 LYS 58 3HB LYS 58 7.218 -1.255 8.338
431 HG2 LYS 58 2HG LYS 58 9.390 -2.265 7.858
432 HG3 LYS 58 3HG LYS 58 9.314 -1.690 6.192
433 HD2 LYS 58 2HD LYS 58 9.239 0.644 7.005
434 HD3 LYS 58 3HD LYS 58 9.341 0.063 8.667
435 HE2 LYS 58 2HE LYS 58 11.527 -0.961 8.187
436 HE3 LYS 58 3HE LYS 58 11.424 -0.408 6.515
437 HZ1 LYS 58 3HZ LYS 58 12.447 0.987 8.653
438 HZ2 LYS 58 1HZ LYS 58 10.955 1.727 8.325
439 HZ3 LYS 58 2HZ LYS 58 12.124 1.593 7.099
440 H LYS 59 H LYS 59 5.568 -3.557 8.822
441 HA LYS 59 HA LYS 59 7.612 -5.055 10.148
442 HB2 LYS 59 2HB LYS 59 5.496 -4.233 11.215
443 HB3 LYS 59 3HB LYS 59 4.607 -5.457 10.311
444 HG2 LYS 59 2HG LYS 59 5.902 -7.238 11.395
445 HG3 LYS 59 3HG LYS 59 6.858 -6.034 12.262
446 HD2 LYS 59 2HD LYS 59 4.811 -5.209 13.375
447 HD3 LYS 59 3HD LYS 59 3.862 -6.427 12.522
448 HE2 LYS 59 2HE LYS 59 5.160 -8.215 13.595
449 HE3 LYS 59 3HE LYS 59 6.150 -7.013 14.425
450 HZ1 LYS 59 3HZ LYS 59 4.540 -7.578 15.976
451 HZ2 LYS 59 1HZ LYS 59 3.296 -7.646 14.825
452 HZ3 LYS 59 2HZ LYS 59 3.929 -6.143 15.300
453 H LEU 60 H LEU 60 5.283 -5.895 7.641
454 HA LEU 60 HA LEU 60 5.686 -8.762 7.810
455 HB2 LEU 60 2HB LEU 60 4.742 -7.117 5.446
456 HB3 LEU 60 3HB LEU 60 4.461 -8.838 5.708
457 HG LEU 60 HG LEU 60 3.426 -6.599 7.483
458 HD11 LEU 60 1HD1 LEU 60 1.219 -7.206 6.551
459 HD12 LEU 60 2HD1 LEU 60 2.000 -8.362 5.471
460 HD13 LEU 60 3HD1 LEU 60 2.320 -6.636 5.299
461 HD21 LEU 60 3HD2 LEU 60 1.964 -8.582 8.344
462 HD22 LEU 60 1HD2 LEU 60 3.634 -8.499 8.893
463 HD23 LEU 60 2HD2 LEU 60 3.186 -9.621 7.607
464 H ASP 61 H ASP 61 7.633 -9.644 7.415
465 HA ASP 61 HA ASP 61 9.746 -8.364 5.989
466 HB2 ASP 61 2HB ASP 61 9.296 -11.252 6.788
467 HB3 ASP 61 3HB ASP 61 10.793 -10.684 6.052
468 H PHE 62 H PHE 62 7.407 -10.861 4.904
469 HA PHE 62 HA PHE 62 8.698 -11.239 2.355
470 HB2 PHE 62 2HB PHE 62 6.627 -12.404 1.706
471 HB3 PHE 62 3HB PHE 62 7.193 -12.922 3.291
472 HD1 PHE 62 HD2 PHE 62 6.042 -12.197 5.349
473 HD2 PHE 62 HD1 PHE 62 4.569 -11.105 1.459
474 HE1 PHE 62 HE2 PHE 62 3.871 -11.551 6.351
475 HE2 PHE 62 HE1 PHE 62 2.399 -10.459 2.468
476 HZ PHE 62 HZ PHE 62 2.050 -10.685 4.913
477 H LEU 63 H LEU 63 7.867 -8.390 3.202
478 HA LEU 63 HA LEU 63 6.757 -7.624 0.534
479 HB2 LEU 63 2HB LEU 63 5.686 -6.872 3.259
480 HB3 LEU 63 3HB LEU 63 5.457 -5.772 1.903
481 HG LEU 63 HG LEU 63 4.679 -8.690 1.592
482 HD11 LEU 63 1HD1 LEU 63 3.036 -6.535 2.956
483 HD12 LEU 63 2HD1 LEU 63 3.529 -8.089 3.628
484 HD13 LEU 63 3HD1 LEU 63 2.351 -8.032 2.319
485 HD21 LEU 63 3HD2 LEU 63 4.653 -7.166 -0.388
486 HD22 LEU 63 1HD2 LEU 63 3.541 -6.100 0.465
487 HD23 LEU 63 2HD2 LEU 63 3.036 -7.730 0.019
488 H THR 64 H THR 64 7.838 -5.955 -0.357
489 HA THR 64 HA THR 64 10.012 -4.650 1.231
490 HB THR 64 HB THR 64 9.451 -4.595 -1.755
491 HG1 THR 64 HG1 THR 64 11.632 -5.889 -1.259
492 HG21 THR 64 3HG2 THR 64 10.747 -2.675 -1.108
493 HG22 THR 64 1HG2 THR 64 11.870 -3.845 -1.800
494 HG23 THR 64 2HG2 THR 64 11.771 -3.646 -0.051
495 H VAL 65 H VAL 65 9.902 -2.476 1.725
496 HA VAL 65 HA VAL 65 7.584 -0.881 0.631
497 HB VAL 65 HB VAL 65 8.921 -0.779 3.357
498 HG11 VAL 65 1HG1 VAL 65 8.424 1.504 2.771
499 HG12 VAL 65 2HG1 VAL 65 7.114 0.972 3.819
500 HG13 VAL 65 3HG1 VAL 65 6.868 1.052 2.075
501 HG21 VAL 65 3HG2 VAL 65 6.648 -1.354 4.147
502 HG22 VAL 65 1HG2 VAL 65 7.287 -2.596 3.073
503 HG23 VAL 65 2HG2 VAL 65 6.094 -1.440 2.477
504 H GLN 66 H GLN 66 8.098 0.966 -0.377
505 HA GLN 66 HA GLN 66 10.817 2.183 -0.005
506 HB2 GLN 66 2HB GLN 66 9.425 1.580 -2.637
507 HB3 GLN 66 3HB GLN 66 10.853 2.604 -2.479
508 HG2 GLN 66 2HG GLN 66 12.108 0.730 -1.501
509 HG3 GLN 66 3HG GLN 66 10.685 -0.301 -1.619
510 HE21 GLN 66 1HE2 GLN 66 10.553 1.658 -4.314
511 HE22 GLN 66 2HE2 GLN 66 11.371 0.662 -5.420
512 H GLU 67 H GLU 67 10.479 4.197 0.692
513 HA GLU 67 HA GLU 67 7.951 5.638 0.014
514 HB2 GLU 67 2HB GLU 67 10.144 6.155 2.045
515 HB3 GLU 67 3HB GLU 67 8.790 7.253 1.773
516 HG2 GLU 67 2HG GLU 67 7.200 5.492 2.365
517 HG3 GLU 67 3HG GLU 67 8.517 4.335 2.549
518 H SER 68 H SER 68 8.013 6.989 -1.690
519 HA SER 68 HA SER 68 10.638 8.127 -2.593
520 HB2 SER 68 2HB SER 68 7.944 7.931 -3.964
521 HB3 SER 68 3HB SER 68 9.392 8.633 -4.676
522 HG SER 68 HG SER 68 9.889 6.189 -3.630
523 H ARG 69 H ARG 69 11.029 10.227 -2.029
524 HA ARG 69 HA ARG 69 8.938 11.876 -0.850
525 HB2 ARG 69 2HB ARG 69 11.849 12.330 -1.582
526 HB3 ARG 69 3HB ARG 69 10.841 13.684 -1.087
527 HG2 ARG 69 2HG ARG 69 11.768 13.029 0.970
528 HG3 ARG 69 3HG ARG 69 10.244 12.158 0.999
529 HD2 ARG 69 2HD ARG 69 11.965 10.344 -0.290
530 HD3 ARG 69 3HD ARG 69 13.001 11.091 0.926
531 HE ARG 69 HE ARG 69 10.387 10.174 1.926
532 HH11 ARG 69 1HH2 ARG 69 13.734 9.472 1.353
533 HH12 ARG 69 2HH2 ARG 69 13.764 8.116 2.446
534 HH21 ARG 69 1HH1 ARG 69 10.428 8.410 3.330
535 HH22 ARG 69 2HH1 ARG 69 11.898 7.518 3.550
536 H ASN 70 H ASN 70 7.670 13.353 -1.811
537 HA ASN 70 HA ASN 70 8.321 14.402 -4.504
538 HB2 ASN 70 2HB ASN 70 7.064 12.286 -4.900
539 HB3 ASN 70 3HB ASN 70 5.729 12.928 -3.943
540 HD21 ASN 70 1HD2 ASN 70 5.334 12.287 -6.688
541 HD22 ASN 70 2HD2 ASN 70 5.101 13.727 -7.557
542 H GLY 71 H GLY 71 8.381 16.478 -3.618
543 HA2 GLY 71 2HA GLY 71 7.478 18.524 -2.926
544 HA3 GLY 71 3HA GLY 71 5.903 17.874 -3.380
545 H SER 72 H SER 72 4.688 18.449 -1.601
546 HA SER 72 HA SER 72 5.707 18.055 1.129
547 HB2 SER 72 2HB SER 72 4.230 19.968 0.514
548 HB3 SER 72 3HB SER 72 2.928 18.825 0.190
549 HG SER 72 HG SER 72 2.872 18.287 2.313
550 H LYS 73 H LYS 73 4.257 16.045 -1.174
551 HA LYS 73 HA LYS 73 3.242 14.171 0.967
552 HB2 LYS 73 2HB LYS 73 1.417 15.196 -0.424
553 HB3 LYS 73 3HB LYS 73 2.163 14.481 -1.852
554 HG2 LYS 73 2HG LYS 73 1.863 12.233 -0.920
555 HG3 LYS 73 3HG LYS 73 1.190 12.918 0.560
556 HD2 LYS 73 2HD LYS 73 -0.663 13.911 -0.746
557 HD3 LYS 73 3HD LYS 73 0.005 13.207 -2.218
558 HE2 LYS 73 2HE LYS 73 -0.281 10.950 -1.286
559 HE3 LYS 73 3HE LYS 73 -0.915 11.635 0.209
560 HZ1 LYS 73 3HZ LYS 73 -2.194 12.465 -2.279
561 HZ2 LYS 73 1HZ LYS 73 -2.876 12.169 -0.755
562 HZ3 LYS 73 2HZ LYS 73 -2.474 10.868 -1.770
563 H LEU 74 H LEU 74 4.412 12.320 1.008
564 HA LEU 74 HA LEU 74 6.216 11.670 -1.249
565 HB2 LEU 74 2HB LEU 74 7.137 9.975 0.230
566 HB3 LEU 74 3HB LEU 74 6.990 11.493 1.112
567 HG LEU 74 HG LEU 74 4.530 10.335 1.684
568 HD11 LEU 74 1HD1 LEU 74 6.542 8.061 1.684
569 HD12 LEU 74 2HD1 LEU 74 5.194 8.201 0.559
570 HD13 LEU 74 3HD1 LEU 74 4.884 7.994 2.281
571 HD21 LEU 74 3HD2 LEU 74 7.122 9.936 3.210
572 HD22 LEU 74 1HD2 LEU 74 5.504 9.741 3.884
573 HD23 LEU 74 2HD2 LEU 74 6.047 11.327 3.337
574 H HIS 75 H HIS 75 6.121 9.599 -2.324
575 HA HIS 75 HA HIS 75 3.346 8.435 -2.423
576 HB2 HIS 75 2HB HIS 75 5.630 8.464 -4.426
577 HB3 HIS 75 3HB HIS 75 4.159 7.515 -4.642
578 HD1 HIS 75 HD1 HIS 75 5.193 11.142 -4.079
579 HD2 HIS 75 HD2 HIS 75 2.049 8.955 -5.723
580 HE1 HIS 75 HE1 HIS 75 3.623 12.826 -5.135
581 H SER 76 H SER 76 3.404 6.868 -0.855
582 HA SER 76 HA SER 76 5.682 5.105 -0.451
583 HB2 SER 76 2HB SER 76 4.241 5.497 1.430
584 HB3 SER 76 3HB SER 76 2.812 5.044 0.507
585 HG SER 76 HG SER 76 4.448 3.492 1.927
586 H GLU 77 H GLU 77 5.885 2.952 -1.126
587 HA GLU 77 HA GLU 77 3.807 1.832 -2.973
588 HB2 GLU 77 2HB GLU 77 6.768 2.123 -3.581
589 HB3 GLU 77 3HB GLU 77 5.657 1.119 -4.515
590 HG2 GLU 77 2HG GLU 77 4.289 3.086 -5.044
591 HG3 GLU 77 3HG GLU 77 5.358 4.103 -4.081
592 H ILE 78 H ILE 78 3.966 -0.470 -3.178
593 HA ILE 78 HA ILE 78 5.712 -1.868 -1.173
594 HB ILE 78 HB ILE 78 3.775 -3.316 -0.599
595 HG12 ILE 78 2HG1 ILE 78 2.135 -1.295 -2.171
596 HG13 ILE 78 3HG1 ILE 78 2.493 -2.926 -2.732
597 HG21 ILE 78 1HG2 ILE 78 3.179 -0.372 -0.205
598 HG22 ILE 78 2HG2 ILE 78 4.354 -1.283 0.741
599 HG23 ILE 78 3HG2 ILE 78 2.643 -1.697 0.827
600 HD11 ILE 78 3HD1 ILE 78 0.917 -2.163 -0.259
601 HD12 ILE 78 1HD1 ILE 78 1.419 -3.812 -0.637
602 HD13 ILE 78 2HD1 ILE 78 0.306 -2.963 -1.708
603 H ARG 79 H ARG 79 6.251 -4.014 -1.750
604 HA ARG 79 HA ARG 79 5.291 -5.144 -4.304
605 HB2 ARG 79 2HB ARG 79 7.130 -3.721 -5.095
606 HB3 ARG 79 3HB ARG 79 8.210 -4.389 -3.872
607 HG2 ARG 79 2HG ARG 79 7.951 -6.654 -4.921
608 HG3 ARG 79 3HG ARG 79 6.930 -5.932 -6.159
609 HD2 ARG 79 2HD ARG 79 9.743 -4.954 -5.640
610 HD3 ARG 79 3HD ARG 79 9.416 -6.284 -6.746
611 HE ARG 79 HE ARG 79 8.915 -3.461 -7.259
612 HH11 ARG 79 1HH2 ARG 79 7.754 -6.659 -7.811
613 HH12 ARG 79 2HH2 ARG 79 7.223 -6.333 -9.427
614 HH21 ARG 79 1HH1 ARG 79 8.263 -3.021 -9.375
615 HH22 ARG 79 2HH1 ARG 79 7.518 -4.268 -10.318
616 H LEU 80 H LEU 80 5.471 -7.389 -4.260
617 HA LEU 80 HA LEU 80 6.013 -8.625 -1.681
618 HB2 LEU 80 2HB LEU 80 5.367 -9.739 -4.421
619 HB3 LEU 80 3HB LEU 80 5.560 -10.760 -2.999
620 HG LEU 80 HG LEU 80 3.626 -8.419 -2.888
621 HD11 LEU 80 1HD1 LEU 80 3.034 -9.694 -4.934
622 HD12 LEU 80 2HD1 LEU 80 1.813 -9.853 -3.675
623 HD13 LEU 80 3HD1 LEU 80 2.947 -11.169 -3.971
624 HD21 LEU 80 3HD2 LEU 80 3.632 -11.179 -1.601
625 HD22 LEU 80 1HD2 LEU 80 2.454 -9.901 -1.293
626 HD23 LEU 80 2HD2 LEU 80 4.132 -9.690 -0.804
627 H ARG 81 H ARG 81 7.819 -9.784 -1.055
628 HA ARG 81 HA ARG 81 10.298 -9.261 -2.379
629 HB2 ARG 81 2HB ARG 81 9.515 -11.281 -0.253
630 HB3 ARG 81 3HB ARG 81 11.175 -11.036 -0.777
631 HG2 ARG 81 2HG ARG 81 9.554 -8.646 0.135
632 HG3 ARG 81 3HG ARG 81 10.259 -9.720 1.336
633 HD2 ARG 81 2HD ARG 81 12.484 -9.284 0.573
634 HD3 ARG 81 3HD ARG 81 11.914 -8.503 -0.899
635 HE ARG 81 HE ARG 81 10.838 -6.985 1.181
636 HH11 ARG 81 1HH2 ARG 81 13.960 -8.051 0.153
637 HH12 ARG 81 2HH2 ARG 81 14.781 -6.650 0.750
638 HH21 ARG 81 1HH1 ARG 81 11.887 -5.142 1.943
639 HH22 ARG 81 2HH1 ARG 81 13.605 -4.998 1.763
640 H HIS 82 H HIS 82 8.186 -12.132 -2.331
641 HA HIS 82 HA HIS 82 9.969 -13.553 -4.235
642 HB2 HIS 82 2HB HIS 82 8.926 -14.832 -2.415
643 HB3 HIS 82 3HB HIS 82 7.326 -14.326 -2.953
644 HD1 HIS 82 HD1 HIS 82 10.333 -16.264 -4.279
645 HD2 HIS 82 HD2 HIS 82 6.210 -16.016 -4.843
646 HE1 HIS 82 HE1 HIS 82 9.716 -18.124 -5.884
647 H ASP 83 H ASP 83 9.720 -13.218 -6.390
648 HA ASP 83 HA ASP 83 7.128 -13.238 -7.667
649 HB2 ASP 83 2HB ASP 83 7.165 -10.905 -6.731
650 HB3 ASP 83 3HB ASP 83 8.603 -10.586 -7.699
651 H GLY 84 H GLY 84 10.581 -12.741 -7.756
652 HA2 GLY 84 2HA GLY 84 11.059 -14.331 -10.013
653 HA3 GLY 84 3HA GLY 84 10.868 -12.685 -10.627
654 H LEU 85 H LEU 85 13.126 -12.649 -11.236
655 HA LEU 85 HA LEU 85 15.417 -12.250 -10.890
656 HB2 LEU 85 2HB LEU 85 14.438 -11.082 -8.268
657 HB3 LEU 85 3HB LEU 85 15.912 -10.657 -9.133
658 HG LEU 85 HG LEU 85 13.083 -10.216 -10.133
659 HD11 LEU 85 1HD1 LEU 85 15.172 -8.222 -9.201
660 HD12 LEU 85 2HD1 LEU 85 13.771 -8.736 -8.261
661 HD13 LEU 85 3HD1 LEU 85 13.542 -7.846 -9.765
662 HD21 LEU 85 3HD2 LEU 85 15.807 -9.720 -11.373
663 HD22 LEU 85 1HD2 LEU 85 14.402 -8.764 -11.853
664 HD23 LEU 85 2HD2 LEU 85 14.398 -10.507 -12.085
665 H GLU 86 H GLU 86 15.970 -14.504 -10.652
666 HA GLU 86 HA GLU 86 17.239 -15.126 -8.127
667 HB2 GLU 86 2HB GLU 86 14.851 -15.642 -7.574
668 HB3 GLU 86 3HB GLU 86 14.826 -16.807 -8.898
669 HG2 GLU 86 2HG GLU 86 16.617 -18.099 -7.824
670 HG3 GLU 86 3HG GLU 86 16.712 -16.909 -6.526
671 H HIS 87 H HIS 87 15.685 -17.242 -10.555
672 HA HIS 87 HA HIS 87 18.210 -18.652 -11.013
673 HB2 HIS 87 2HB HIS 87 15.532 -18.844 -12.425
674 HB3 HIS 87 3HB HIS 87 16.883 -19.957 -12.643
675 HD1 HIS 87 HD1 HIS 87 17.654 -21.278 -10.407
676 HD2 HIS 87 HD2 HIS 87 13.919 -19.434 -10.241
677 HE1 HIS 87 HE1 HIS 87 16.440 -22.297 -8.430
678 H HIS 88 H HIS 88 19.658 -18.229 -12.625
679 HA HIS 88 HA HIS 88 18.848 -16.793 -15.074
680 HB2 HIS 88 2HB HIS 88 20.547 -15.010 -14.764
681 HB3 HIS 88 3HB HIS 88 19.290 -14.930 -13.528
682 HD1 HIS 88 HD1 HIS 88 19.952 -15.493 -11.103
683 HD2 HIS 88 HD2 HIS 88 23.100 -15.905 -13.806
684 HE1 HIS 88 HE1 HIS 88 22.054 -15.775 -9.718
685 H HIS 89 H HIS 89 20.712 -16.709 -16.625
686 HA HIS 89 HA HIS 89 22.367 -17.880 -17.802
687 HB2 HIS 89 2HB HIS 89 23.765 -16.749 -16.090
688 HB3 HIS 89 3HB HIS 89 23.561 -18.136 -15.020
689 HD1 HIS 89 HD1 HIS 89 24.833 -17.418 -18.548
690 HD2 HIS 89 HD2 HIS 89 25.474 -20.094 -15.416
691 HE1 HIS 89 HE1 HIS 89 26.779 -18.882 -19.242
692 H HIS 90 H HIS 90 20.149 -19.402 -16.107
693 HA HIS 90 HA HIS 90 21.407 -22.104 -15.991
694 HB2 HIS 90 2HB HIS 90 18.651 -21.086 -15.222
695 HB3 HIS 90 3HB HIS 90 19.156 -22.771 -15.081
696 HD1 HIS 90 HD1 HIS 90 19.361 -19.506 -13.376
697 HD2 HIS 90 HD2 HIS 90 21.371 -23.154 -13.191
698 HE1 HIS 90 HE1 HIS 90 20.671 -19.494 -11.210
699 H HIS 91 H HIS 91 21.673 -21.982 -18.420
700 HA HIS 91 HA HIS 91 19.382 -21.989 -20.152
701 HB2 HIS 91 2HB HIS 91 22.172 -23.108 -20.536
702 HB3 HIS 91 3HB HIS 91 20.971 -22.973 -21.820
703 HD1 HIS 91 HD1 HIS 91 19.999 -20.408 -22.136
704 HD2 HIS 91 HD2 HIS 91 23.686 -20.811 -20.232
705 HE1 HIS 91 HE1 HIS 91 21.110 -18.135 -22.237
706 H HIS 92 H HIS 92 21.206 -24.559 -18.557
707 HA HIS 92 HA HIS 92 20.753 -26.842 -18.299
708 HB2 HIS 92 2HB HIS 92 18.768 -25.833 -17.134
709 HB3 HIS 92 3HB HIS 92 17.872 -25.949 -18.647
710 HD1 HIS 92 HD1 HIS 92 19.694 -28.195 -16.171
711 HD2 HIS 92 HD2 HIS 92 16.749 -28.451 -19.111
712 HE1 HIS 92 HE1 HIS 92 18.776 -30.553 -16.062
Start of MODEL 3
1 H1 MET 1 1H MET 1 -24.591 -11.614 -0.400
2 H2 MET 1 2H MET 1 -24.863 -11.905 1.251
3 H3 MET 1 3H MET 1 -23.480 -12.536 0.491
4 HA MET 1 HA MET 1 -23.376 -9.826 0.019
5 HB2 MET 1 2HB MET 1 -23.994 -10.432 2.928
6 HB3 MET 1 3HB MET 1 -23.547 -8.862 2.259
7 HG2 MET 1 2HG MET 1 -26.007 -10.426 1.420
8 HG3 MET 1 3HG MET 1 -26.021 -9.131 2.613
9 HE1 MET 1 3HE MET 1 -25.387 -5.944 0.832
10 HE2 MET 1 1HE MET 1 -25.020 -6.916 2.264
11 HE3 MET 1 2HE MET 1 -26.693 -6.646 1.783
12 HA PRO 2 HA PRO 2 -19.664 -12.457 1.163
13 HB2 PRO 2 2HB PRO 2 -18.602 -11.159 -1.326
14 HB3 PRO 2 3HB PRO 2 -18.558 -12.870 -0.847
15 HG2 PRO 2 2HG PRO 2 -20.216 -12.035 -2.763
16 HG3 PRO 2 3HG PRO 2 -20.729 -13.265 -1.587
17 HD2 PRO 2 2HD PRO 2 -21.399 -10.318 -1.629
18 HD3 PRO 2 3HD PRO 2 -22.462 -11.706 -1.292
19 H HIS 3 H HIS 3 -17.777 -11.713 2.184
20 HA HIS 3 HA HIS 3 -16.733 -9.038 1.823
21 HB2 HIS 3 2HB HIS 3 -18.778 -8.524 3.151
22 HB3 HIS 3 3HB HIS 3 -18.193 -9.598 4.422
23 HD1 HIS 3 HD1 HIS 3 -16.195 -8.792 5.852
24 HD2 HIS 3 HD2 HIS 3 -17.321 -6.072 2.899
25 HE1 HIS 3 HE1 HIS 3 -14.977 -6.632 6.365
26 H LYS 4 H LYS 4 -14.595 -9.243 2.275
27 HA LYS 4 HA LYS 4 -13.619 -11.625 3.695
28 HB2 LYS 4 2HB LYS 4 -12.197 -9.256 2.441
29 HB3 LYS 4 3HB LYS 4 -11.370 -10.635 3.165
30 HG2 LYS 4 2HG LYS 4 -12.498 -12.153 1.587
31 HG3 LYS 4 3HG LYS 4 -13.336 -10.782 0.862
32 HD2 LYS 4 2HD LYS 4 -11.172 -9.789 0.221
33 HD3 LYS 4 3HD LYS 4 -10.327 -11.156 0.951
34 HE2 LYS 4 2HE LYS 4 -11.450 -12.694 -0.614
35 HE3 LYS 4 3HE LYS 4 -12.304 -11.334 -1.344
36 HZ1 LYS 4 3HZ LYS 4 -9.438 -11.998 -1.454
37 HZ2 LYS 4 1HZ LYS 4 -9.942 -10.392 -1.657
38 HZ3 LYS 4 2HZ LYS 4 -10.496 -11.594 -2.721
39 H GLU 5 H GLU 5 -13.579 -11.627 5.883
40 HA GLU 5 HA GLU 5 -13.712 -9.224 7.477
41 HB2 GLU 5 2HB GLU 5 -14.563 -11.459 8.218
42 HB3 GLU 5 3HB GLU 5 -12.895 -12.019 8.327
43 HG2 GLU 5 2HG GLU 5 -12.398 -10.316 10.015
44 HG3 GLU 5 3HG GLU 5 -14.029 -9.663 9.862
45 H LYS 6 H LYS 6 -11.090 -11.392 6.497
46 HA LYS 6 HA LYS 6 -9.106 -9.284 6.999
47 HB2 LYS 6 2HB LYS 6 -9.409 -10.379 9.244
48 HB3 LYS 6 3HB LYS 6 -8.906 -11.906 8.520
49 HG2 LYS 6 2HG LYS 6 -6.737 -10.931 7.910
50 HG3 LYS 6 3HG LYS 6 -7.238 -9.370 8.559
51 HD2 LYS 6 2HD LYS 6 -7.491 -10.388 10.800
52 HD3 LYS 6 3HD LYS 6 -6.966 -11.940 10.147
53 HE2 LYS 6 2HE LYS 6 -4.803 -10.955 9.511
54 HE3 LYS 6 3HE LYS 6 -5.320 -9.392 10.141
55 HZ1 LYS 6 3HZ LYS 6 -5.429 -11.751 11.885
56 HZ2 LYS 6 1HZ LYS 6 -5.214 -10.119 12.294
57 HZ3 LYS 6 2HZ LYS 6 -3.932 -10.998 11.609
58 H HIS 7 H HIS 7 -9.559 -12.773 6.406
59 HA HIS 7 HA HIS 7 -8.602 -14.190 4.846
60 HB2 HIS 7 2HB HIS 7 -9.258 -11.725 3.488
61 HB3 HIS 7 3HB HIS 7 -7.747 -12.290 2.798
62 HD1 HIS 7 HD1 HIS 7 -8.349 -13.472 0.689
63 HD2 HIS 7 HD2 HIS 7 -10.977 -14.429 3.778
64 HE1 HIS 7 HE1 HIS 7 -9.942 -15.209 -0.239
65 HA PRO 8 HA PRO 8 -4.181 -14.361 5.257
66 HB2 PRO 8 2HB PRO 8 -3.738 -14.490 2.286
67 HB3 PRO 8 3HB PRO 8 -3.233 -15.640 3.543
68 HG2 PRO 8 2HG PRO 8 -5.260 -16.212 1.905
69 HG3 PRO 8 3HG PRO 8 -5.322 -16.665 3.621
70 HD2 PRO 8 2HD PRO 8 -6.711 -14.373 2.232
71 HD3 PRO 8 3HD PRO 8 -7.310 -15.452 3.508
72 H LEU 9 H LEU 9 -2.436 -12.917 5.402
73 HA LEU 9 HA LEU 9 -2.862 -10.176 4.687
74 HB2 LEU 9 2HB LEU 9 -0.456 -11.754 5.637
75 HB3 LEU 9 3HB LEU 9 -0.294 -10.050 5.218
76 HG LEU 9 HG LEU 9 -2.040 -9.473 6.859
77 HD11 LEU 9 1HD1 LEU 9 -3.445 -11.398 6.922
78 HD12 LEU 9 2HD1 LEU 9 -2.676 -11.353 8.505
79 HD13 LEU 9 3HD1 LEU 9 -2.094 -12.476 7.278
80 HD21 LEU 9 3HD2 LEU 9 -0.713 -9.932 8.867
81 HD22 LEU 9 1HD2 LEU 9 0.369 -9.582 7.519
82 HD23 LEU 9 2HD2 LEU 9 0.122 -11.247 8.043
83 H GLN 10 H GLN 10 -0.843 -12.733 3.217
84 HA GLN 10 HA GLN 10 0.300 -11.082 1.181
85 HB2 GLN 10 2HB GLN 10 1.142 -13.348 1.801
86 HB3 GLN 10 3HB GLN 10 -0.289 -14.056 1.053
87 HG2 GLN 10 2HG GLN 10 0.335 -13.122 -1.118
88 HG3 GLN 10 3HG GLN 10 1.712 -12.292 -0.390
89 HE21 GLN 10 1HE2 GLN 10 3.503 -13.415 -1.228
90 HE22 GLN 10 2HE2 GLN 10 3.705 -15.097 -1.128
91 H ASP 11 H ASP 11 -2.569 -13.211 1.118
92 HA ASP 11 HA ASP 11 -3.277 -12.625 -1.592
93 HB2 ASP 11 2HB ASP 11 -4.202 -14.527 -0.248
94 HB3 ASP 11 3HB ASP 11 -5.135 -13.361 0.688
95 H MET 12 H MET 12 -4.015 -11.032 1.475
96 HA MET 12 HA MET 12 -6.017 -9.247 0.488
97 HB2 MET 12 2HB MET 12 -5.519 -9.696 2.903
98 HB3 MET 12 3HB MET 12 -4.037 -8.758 2.730
99 HG2 MET 12 2HG MET 12 -5.322 -6.773 2.114
100 HG3 MET 12 3HG MET 12 -6.823 -7.701 2.170
101 HE1 MET 12 3HE MET 12 -7.454 -5.631 5.266
102 HE2 MET 12 1HE MET 12 -8.000 -6.211 3.687
103 HE3 MET 12 2HE MET 12 -6.670 -5.062 3.795
104 H PHE 13 H PHE 13 -2.572 -8.505 1.212
105 HA PHE 13 HA PHE 13 -2.639 -5.992 -0.168
106 HB2 PHE 13 2HB PHE 13 -0.305 -7.791 0.560
107 HB3 PHE 13 3HB PHE 13 -0.124 -6.168 -0.095
108 HD1 PHE 13 HD2 PHE 13 -1.562 -4.296 1.129
109 HD2 PHE 13 HD1 PHE 13 -0.356 -8.008 2.934
110 HE1 PHE 13 HE2 PHE 13 -1.858 -3.305 3.380
111 HE2 PHE 13 HE1 PHE 13 -0.658 -7.011 5.180
112 HZ PHE 13 HZ PHE 13 -1.408 -4.660 5.403
113 H THR 14 H THR 14 -1.676 -9.257 -1.215
114 HA THR 14 HA THR 14 -0.622 -8.502 -3.750
115 HB THR 14 HB THR 14 -2.055 -11.066 -2.979
116 HG1 THR 14 HG1 THR 14 -0.066 -10.283 -1.839
117 HG21 THR 14 3HG2 THR 14 -0.276 -10.342 -5.324
118 HG22 THR 14 1HG2 THR 14 -1.927 -10.960 -5.378
119 HG23 THR 14 2HG2 THR 14 -0.611 -12.005 -4.846
120 H SER 15 H SER 15 -3.957 -9.412 -2.823
121 HA SER 15 HA SER 15 -5.063 -9.232 -5.445
122 HB2 SER 15 2HB SER 15 -7.234 -8.935 -4.288
123 HB3 SER 15 3HB SER 15 -6.294 -10.232 -3.565
124 HG SER 15 HG SER 15 -6.223 -7.556 -2.641
125 H ALA 16 H ALA 16 -4.721 -6.766 -2.890
126 HA ALA 16 HA ALA 16 -6.005 -4.697 -4.455
127 HB1 ALA 16 3HB ALA 16 -5.859 -4.682 -1.961
128 HB2 ALA 16 1HB ALA 16 -5.266 -3.193 -2.695
129 HB3 ALA 16 2HB ALA 16 -4.124 -4.400 -2.101
130 H ILE 17 H ILE 17 -2.582 -5.380 -3.685
131 HA ILE 17 HA ILE 17 -1.529 -3.187 -5.183
132 HB ILE 17 HB ILE 17 -0.316 -5.878 -4.459
133 HG12 ILE 17 2HG1 ILE 17 0.157 -3.133 -3.238
134 HG13 ILE 17 3HG1 ILE 17 -1.034 -4.268 -2.604
135 HG21 ILE 17 1HG2 ILE 17 0.979 -5.025 -6.307
136 HG22 ILE 17 2HG2 ILE 17 1.886 -4.640 -4.849
137 HG23 ILE 17 3HG2 ILE 17 0.945 -3.388 -5.655
138 HD11 ILE 17 3HD1 ILE 17 1.950 -4.748 -2.853
139 HD12 ILE 17 1HD1 ILE 17 0.782 -5.960 -2.325
140 HD13 ILE 17 2HD1 ILE 17 1.047 -4.511 -1.359
141 H GLU 18 H GLU 18 -2.118 -6.587 -6.095
142 HA GLU 18 HA GLU 18 -1.114 -6.328 -8.766
143 HB2 GLU 18 2HB GLU 18 -1.495 -8.494 -7.572
144 HB3 GLU 18 3HB GLU 18 -3.229 -8.242 -7.753
145 HG2 GLU 18 2HG GLU 18 -3.012 -8.231 -10.190
146 HG3 GLU 18 3HG GLU 18 -1.259 -8.381 -10.055
147 H ALA 19 H ALA 19 -4.308 -5.773 -7.343
148 HA ALA 19 HA ALA 19 -5.754 -5.547 -9.798
149 HB1 ALA 19 3HB ALA 19 -6.878 -5.747 -7.621
150 HB2 ALA 19 1HB ALA 19 -7.412 -4.289 -8.457
151 HB3 ALA 19 2HB ALA 19 -6.246 -4.173 -7.139
152 H VAL 20 H VAL 20 -3.917 -3.172 -7.904
153 HA VAL 20 HA VAL 20 -4.345 -1.135 -10.079
154 HB VAL 20 HB VAL 20 -3.919 0.573 -8.454
155 HG11 VAL 20 1HG1 VAL 20 -5.737 0.181 -6.876
156 HG12 VAL 20 2HG1 VAL 20 -5.640 -1.558 -7.150
157 HG13 VAL 20 3HG1 VAL 20 -6.177 -0.490 -8.447
158 HG21 VAL 20 3HG2 VAL 20 -2.117 -0.314 -7.145
159 HG22 VAL 20 1HG2 VAL 20 -3.059 -1.718 -6.656
160 HG23 VAL 20 2HG2 VAL 20 -3.456 -0.126 -6.015
161 H ALA 21 H ALA 21 -2.196 -3.456 -9.506
162 HA ALA 21 HA ALA 21 0.318 -2.149 -9.243
163 HB1 ALA 21 3HB ALA 21 1.131 -4.219 -10.639
164 HB2 ALA 21 1HB ALA 21 -0.548 -4.746 -10.524
165 HB3 ALA 21 2HB ALA 21 0.407 -4.512 -9.061
166 H ARG 22 H ARG 22 -1.930 -2.331 -11.897
167 HA ARG 22 HA ARG 22 -1.830 -1.494 -14.093
168 HB2 ARG 22 2HB ARG 22 0.027 0.370 -12.591
169 HB3 ARG 22 3HB ARG 22 -0.408 0.626 -14.275
170 HG2 ARG 22 2HG ARG 22 -2.717 0.947 -13.754
171 HG3 ARG 22 3HG ARG 22 -2.518 0.304 -12.122
172 HD2 ARG 22 2HD ARG 22 -1.601 2.286 -11.307
173 HD3 ARG 22 3HD ARG 22 -0.859 2.711 -12.851
174 HE ARG 22 HE ARG 22 -3.435 3.067 -13.506
175 HH11 ARG 22 1HH2 ARG 22 -1.903 3.850 -10.487
176 HH12 ARG 22 2HH2 ARG 22 -2.804 5.311 -10.289
177 HH21 ARG 22 1HH1 ARG 22 -4.561 4.957 -13.250
178 HH22 ARG 22 2HH1 ARG 22 -4.302 5.944 -11.851
179 H ASP 23 H ASP 23 0.072 -3.646 -13.321
180 HA ASP 23 HA ASP 23 1.895 -4.787 -14.227
181 HB2 ASP 23 2HB ASP 23 0.452 -4.386 -16.276
182 HB3 ASP 23 3HB ASP 23 1.473 -2.996 -16.639
183 H SER 24 H SER 24 2.164 -1.748 -13.181
184 HA SER 24 HA SER 24 4.816 -1.092 -14.338
185 HB2 SER 24 2HB SER 24 4.680 0.910 -12.953
186 HB3 SER 24 3HB SER 24 3.147 0.694 -13.796
187 HG SER 24 HG SER 24 3.787 0.422 -11.098
188 H GLY 25 H GLY 25 3.660 -3.150 -11.998
189 HA2 GLY 25 2HA GLY 25 4.919 -4.508 -10.514
190 HA3 GLY 25 3HA GLY 25 6.324 -3.466 -10.775
191 H TRP 26 H TRP 26 5.696 -1.053 -9.993
192 HA TRP 26 HA TRP 26 5.317 -1.285 -7.108
193 HB2 TRP 26 2HB TRP 26 5.619 1.121 -8.935
194 HB3 TRP 26 3HB TRP 26 5.533 1.229 -7.177
195 HD1 TRP 26 HD1 TRP 26 7.931 0.655 -9.953
196 HE1 TRP 26 HE1 TRP 26 10.237 -0.020 -9.019
197 HE3 TRP 26 HE3 TRP 26 6.682 -0.263 -5.086
198 HZ2 TRP 26 HZ2 TRP 26 11.399 -0.840 -6.538
199 HZ3 TRP 26 HZ3 TRP 26 8.405 -0.988 -3.461
200 HH2 TRP 26 HH2 TRP 26 10.760 -1.278 -4.180
201 H ALA 27 H ALA 27 3.762 0.507 -6.114
202 HA ALA 27 HA ALA 27 1.269 0.940 -7.585
203 HB1 ALA 27 3HB ALA 27 1.415 -1.052 -5.301
204 HB2 ALA 27 1HB ALA 27 0.853 -1.352 -6.947
205 HB3 ALA 27 2HB ALA 27 -0.093 -0.331 -5.863
206 H GLU 28 H GLU 28 0.222 2.702 -6.709
207 HA GLU 28 HA GLU 28 1.564 4.224 -4.656
208 HB2 GLU 28 2HB GLU 28 0.190 5.215 -6.514
209 HB3 GLU 28 3HB GLU 28 -1.256 4.603 -5.710
210 HG2 GLU 28 2HG GLU 28 -0.735 5.930 -3.712
211 HG3 GLU 28 3HG GLU 28 0.753 6.502 -4.464
212 H LEU 29 H LEU 29 1.358 4.002 -2.483
213 HA LEU 29 HA LEU 29 -0.206 2.004 -1.269
214 HB2 LEU 29 2HB LEU 29 1.740 3.077 -0.180
215 HB3 LEU 29 3HB LEU 29 0.833 4.578 -0.032
216 HG LEU 29 HG LEU 29 -0.828 3.418 1.420
217 HD11 LEU 29 1HD1 LEU 29 0.055 1.126 2.355
218 HD12 LEU 29 2HD1 LEU 29 0.959 1.043 0.846
219 HD13 LEU 29 3HD1 LEU 29 -0.802 1.138 0.819
220 HD21 LEU 29 3HD2 LEU 29 0.721 3.103 3.366
221 HD22 LEU 29 1HD2 LEU 29 1.019 4.594 2.474
222 HD23 LEU 29 2HD2 LEU 29 2.079 3.206 2.251
223 H SER 30 H SER 30 -0.944 5.455 -1.775
224 HA SER 30 HA SER 30 -3.332 5.572 -0.252
225 HB2 SER 30 2HB SER 30 -3.908 7.503 -1.576
226 HB3 SER 30 3HB SER 30 -2.155 7.511 -1.392
227 HG SER 30 HG SER 30 -3.184 7.782 -3.598
228 H ALA 31 H ALA 31 -2.808 4.546 -3.625
229 HA ALA 31 HA ALA 31 -5.572 4.073 -4.220
230 HB1 ALA 31 3HB ALA 31 -3.788 4.225 -5.950
231 HB2 ALA 31 1HB ALA 31 -4.731 2.744 -6.103
232 HB3 ALA 31 2HB ALA 31 -3.127 2.694 -5.374
233 H VAL 32 H VAL 32 -3.030 2.031 -2.809
234 HA VAL 32 HA VAL 32 -4.493 -0.424 -2.843
235 HB VAL 32 HB VAL 32 -2.358 0.567 -0.922
236 HG11 VAL 32 1HG1 VAL 32 -3.544 -2.191 -1.352
237 HG12 VAL 32 2HG1 VAL 32 -3.485 -1.274 0.151
238 HG13 VAL 32 3HG1 VAL 32 -2.002 -1.926 -0.544
239 HG21 VAL 32 3HG2 VAL 32 -0.821 -0.674 -2.343
240 HG22 VAL 32 1HG2 VAL 32 -1.747 0.430 -3.358
241 HG23 VAL 32 2HG2 VAL 32 -2.156 -1.285 -3.319
242 H GLY 33 H GLY 33 -4.183 2.061 -0.286
243 HA2 GLY 33 2HA GLY 33 -5.889 0.773 1.594
244 HA3 GLY 33 3HA GLY 33 -5.580 2.510 1.556
245 H SER 34 H SER 34 -6.647 3.117 -0.991
246 HA SER 34 HA SER 34 -9.444 3.308 -0.365
247 HB2 SER 34 2HB SER 34 -9.660 4.220 -2.659
248 HB3 SER 34 3HB SER 34 -8.315 4.955 -1.791
249 HG SER 34 HG SER 34 -8.322 3.421 -4.039
250 H TYR 35 H TYR 35 -7.614 1.179 -2.555
251 HA TYR 35 HA TYR 35 -9.856 -0.108 -3.754
252 HB2 TYR 35 2HB TYR 35 -7.556 -0.344 -4.613
253 HB3 TYR 35 3HB TYR 35 -7.101 -1.236 -3.162
254 HD1 TYR 35 HD2 TYR 35 -9.105 -1.331 -6.271
255 HD2 TYR 35 HD1 TYR 35 -7.817 -3.549 -2.823
256 HE1 TYR 35 HE2 TYR 35 -9.903 -3.431 -7.323
257 HE2 TYR 35 HE1 TYR 35 -8.611 -5.655 -3.881
258 HH TYR 35 HH TYR 35 -9.588 -6.566 -5.646
259 H LEU 36 H LEU 36 -7.979 -0.937 -0.841
260 HA LEU 36 HA LEU 36 -9.384 -3.336 -0.212
261 HB2 LEU 36 2HB LEU 36 -8.001 -1.313 1.575
262 HB3 LEU 36 3HB LEU 36 -8.567 -2.881 2.138
263 HG LEU 36 HG LEU 36 -6.630 -2.578 -0.185
264 HD11 LEU 36 1HD1 LEU 36 -5.573 -1.603 1.786
265 HD12 LEU 36 2HD1 LEU 36 -4.852 -3.180 1.467
266 HD13 LEU 36 3HD1 LEU 36 -6.034 -2.998 2.761
267 HD21 LEU 36 3HD2 LEU 36 -7.565 -4.912 1.527
268 HD22 LEU 36 1HD2 LEU 36 -6.058 -4.988 0.620
269 HD23 LEU 36 2HD2 LEU 36 -7.577 -4.777 -0.229
270 H ALA 37 H ALA 37 -9.996 0.043 0.690
271 HA ALA 37 HA ALA 37 -12.191 -0.436 2.439
272 HB1 ALA 37 3HB ALA 37 -11.649 1.905 0.582
273 HB2 ALA 37 1HB ALA 37 -11.185 1.780 2.279
274 HB3 ALA 37 2HB ALA 37 -12.888 1.898 1.838
275 H LYS 38 H LYS 38 -12.049 -0.082 -1.095
276 HA LYS 38 HA LYS 38 -14.854 -0.096 -1.586
277 HB2 LYS 38 2HB LYS 38 -13.043 0.433 -3.244
278 HB3 LYS 38 3HB LYS 38 -12.677 -1.287 -3.334
279 HG2 LYS 38 2HG LYS 38 -15.072 -1.690 -4.011
280 HG3 LYS 38 3HG LYS 38 -15.292 0.055 -4.087
281 HD2 LYS 38 2HD LYS 38 -13.198 -1.468 -5.669
282 HD3 LYS 38 3HD LYS 38 -14.772 -1.007 -6.307
283 HE2 LYS 38 2HE LYS 38 -14.140 1.417 -5.659
284 HE3 LYS 38 3HE LYS 38 -12.492 0.806 -5.485
285 HZ1 LYS 38 3HZ LYS 38 -12.857 1.656 -7.698
286 HZ2 LYS 38 1HZ LYS 38 -14.172 0.610 -7.920
287 HZ3 LYS 38 2HZ LYS 38 -12.604 -0.023 -7.755
288 H ASN 39 H ASN 39 -12.511 -2.799 -1.429
289 HA ASN 39 HA ASN 39 -14.693 -4.791 -1.677
290 HB2 ASN 39 2HB ASN 39 -11.697 -5.090 -1.283
291 HB3 ASN 39 3HB ASN 39 -12.820 -6.432 -1.506
292 HD21 ASN 39 1HD2 ASN 39 -14.424 -4.616 -3.462
293 HD22 ASN 39 2HD2 ASN 39 -13.531 -4.699 -4.900
294 H ASP 40 H ASP 40 -13.380 -2.948 0.767
295 HA ASP 40 HA ASP 40 -14.558 -4.677 2.854
296 HB2 ASP 40 2HB ASP 40 -11.674 -3.763 3.103
297 HB3 ASP 40 3HB ASP 40 -12.575 -4.800 4.209
298 HA PRO 41 HA PRO 41 -14.793 0.031 3.248
299 HB2 PRO 41 2HB PRO 41 -17.557 0.188 3.487
300 HB3 PRO 41 3HB PRO 41 -16.695 0.295 1.939
301 HG2 PRO 41 2HG PRO 41 -18.053 -2.075 3.181
302 HG3 PRO 41 3HG PRO 41 -18.079 -1.520 1.493
303 HD2 PRO 41 2HD PRO 41 -16.492 -3.575 2.278
304 HD3 PRO 41 3HD PRO 41 -15.963 -2.438 1.019
305 H SER 42 H SER 42 -15.910 -2.731 4.999
306 HA SER 42 HA SER 42 -16.657 -1.302 7.441
307 HB2 SER 42 2HB SER 42 -15.937 -4.214 6.978
308 HB3 SER 42 3HB SER 42 -16.608 -3.565 8.471
309 HG SER 42 HG SER 42 -18.265 -2.696 6.815
310 H PHE 43 H PHE 43 -13.752 -1.916 5.889
311 HA PHE 43 HA PHE 43 -12.076 -2.416 8.220
312 HB2 PHE 43 2HB PHE 43 -11.552 -2.991 5.753
313 HB3 PHE 43 3HB PHE 43 -11.119 -1.297 5.563
314 HD1 PHE 43 HD1 PHE 43 -10.479 -4.255 7.764
315 HD2 PHE 43 HD2 PHE 43 -8.892 -0.622 6.123
316 HE1 PHE 43 HE1 PHE 43 -8.267 -4.766 8.760
317 HE2 PHE 43 HE2 PHE 43 -6.681 -1.130 7.118
318 HZ PHE 43 HZ PHE 43 -6.370 -3.207 8.437
319 H ASP 44 H ASP 44 -10.341 -0.826 8.858
320 HA ASP 44 HA ASP 44 -11.242 2.044 8.659
321 HB2 ASP 44 2HB ASP 44 -10.238 0.602 11.133
322 HB3 ASP 44 3HB ASP 44 -10.664 2.310 11.030
323 HA PRO 45 HA PRO 45 -6.746 1.551 7.390
324 HB2 PRO 45 2HB PRO 45 -7.558 4.036 5.884
325 HB3 PRO 45 3HB PRO 45 -6.604 2.646 5.317
326 HG2 PRO 45 2HG PRO 45 -9.145 2.965 4.562
327 HG3 PRO 45 3HG PRO 45 -8.495 1.355 4.912
328 HD2 PRO 45 2HD PRO 45 -10.307 3.062 6.616
329 HD3 PRO 45 3HD PRO 45 -10.301 1.295 6.414
330 H ARG 46 H ARG 46 -8.651 4.358 8.355
331 HA ARG 46 HA ARG 46 -6.497 6.054 9.157
332 HB2 ARG 46 2HB ARG 46 -8.259 7.245 10.484
333 HB3 ARG 46 3HB ARG 46 -8.725 6.963 8.807
334 HG2 ARG 46 2HG ARG 46 -10.025 4.970 9.505
335 HG3 ARG 46 3HG ARG 46 -9.562 5.256 11.179
336 HD2 ARG 46 2HD ARG 46 -10.845 7.242 11.326
337 HD3 ARG 46 3HD ARG 46 -10.968 7.399 9.572
338 HE ARG 46 HE ARG 46 -12.253 5.026 9.999
339 HH11 ARG 46 1HH2 ARG 46 -12.449 8.119 11.542
340 HH12 ARG 46 2HH2 ARG 46 -14.147 7.994 11.851
341 HH21 ARG 46 1HH1 ARG 46 -14.457 4.858 10.394
342 HH22 ARG 46 2HH1 ARG 46 -15.289 6.149 11.194
343 H ASN 47 H ASN 47 -8.250 3.507 10.824
344 HA ASN 47 HA ASN 47 -7.344 4.041 13.464
345 HB2 ASN 47 2HB ASN 47 -9.109 2.387 12.936
346 HB3 ASN 47 3HB ASN 47 -7.901 1.347 12.180
347 HD21 ASN 47 1HD2 ASN 47 -7.625 -0.371 13.631
348 HD22 ASN 47 2HD2 ASN 47 -7.326 -0.190 15.292
349 H TRP 48 H TRP 48 -5.825 2.329 10.766
350 HA TRP 48 HA TRP 48 -3.519 1.471 12.361
351 HB2 TRP 48 2HB TRP 48 -4.023 1.556 9.368
352 HB3 TRP 48 3HB TRP 48 -2.584 0.856 10.112
353 HD1 TRP 48 HD1 TRP 48 -6.143 0.089 9.274
354 HE1 TRP 48 HE1 TRP 48 -6.774 -2.248 10.169
355 HE3 TRP 48 HE3 TRP 48 -2.087 -0.849 12.229
356 HZ2 TRP 48 HZ2 TRP 48 -5.697 -4.248 11.908
357 HZ3 TRP 48 HZ3 TRP 48 -1.915 -2.972 13.493
358 HH2 TRP 48 HH2 TRP 48 -3.713 -4.672 13.337
359 H GLY 49 H GLY 49 -4.295 4.397 12.154
360 HA2 GLY 49 2HA GLY 49 -3.042 6.387 12.243
361 HA3 GLY 49 3HA GLY 49 -1.594 5.440 11.923
362 H HIS 50 H HIS 50 -2.049 7.939 10.701
363 HA HIS 50 HA HIS 50 -2.996 7.415 7.936
364 HB2 HIS 50 2HB HIS 50 -1.885 9.916 9.245
365 HB3 HIS 50 3HB HIS 50 -2.547 9.831 7.612
366 HD1 HIS 50 HD1 HIS 50 -5.133 8.975 7.492
367 HD2 HIS 50 HD2 HIS 50 -3.805 10.326 11.205
368 HE1 HIS 50 HE1 HIS 50 -7.208 9.439 8.869
369 H GLY 51 H GLY 51 -1.608 6.755 6.386
370 HA2 GLY 51 2HA GLY 51 0.379 6.478 5.164
371 HA3 GLY 51 3HA GLY 51 1.063 7.811 6.098
372 H ARG 52 H ARG 52 0.322 6.225 8.636
373 HA ARG 52 HA ARG 52 2.895 4.947 8.962
374 HB2 ARG 52 2HB ARG 52 0.388 4.843 10.672
375 HB3 ARG 52 3HB ARG 52 1.965 4.225 11.163
376 HG2 ARG 52 2HG ARG 52 2.917 6.514 10.858
377 HG3 ARG 52 3HG ARG 52 1.296 7.100 10.477
378 HD2 ARG 52 2HD ARG 52 1.810 7.495 12.859
379 HD3 ARG 52 3HD ARG 52 0.497 6.334 12.693
380 HE ARG 52 HE ARG 52 2.004 4.549 13.302
381 HH11 ARG 52 1HH2 ARG 52 3.365 7.716 13.655
382 HH12 ARG 52 2HH2 ARG 52 4.867 7.122 14.269
383 HH21 ARG 52 1HH1 ARG 52 3.952 3.794 14.065
384 HH22 ARG 52 2HH1 ARG 52 5.203 4.912 14.496
385 H LEU 53 H LEU 53 0.199 3.985 7.327
386 HA LEU 53 HA LEU 53 -0.117 1.264 8.103
387 HB2 LEU 53 2HB LEU 53 -1.701 2.470 6.629
388 HB3 LEU 53 3HB LEU 53 -0.470 2.546 5.376
389 HG LEU 53 HG LEU 53 -0.427 0.036 5.317
390 HD11 LEU 53 1HD1 LEU 53 -1.193 -0.695 7.433
391 HD12 LEU 53 2HD1 LEU 53 -2.565 -1.026 6.388
392 HD13 LEU 53 3HD1 LEU 53 -2.575 0.399 7.425
393 HD21 LEU 53 3HD2 LEU 53 -3.186 1.235 4.918
394 HD22 LEU 53 1HD2 LEU 53 -2.528 -0.181 4.098
395 HD23 LEU 53 2HD2 LEU 53 -1.851 1.415 3.782
396 H SER 54 H SER 54 2.113 2.892 5.889
397 HA SER 54 HA SER 54 3.282 0.591 4.697
398 HB2 SER 54 2HB SER 54 3.860 2.725 3.786
399 HB3 SER 54 3HB SER 54 4.387 3.329 5.352
400 HG SER 54 HG SER 54 6.149 1.988 5.264
401 H GLN 55 H GLN 55 4.065 2.280 7.727
402 HA GLN 55 HA GLN 55 6.340 0.670 8.388
403 HB2 GLN 55 2HB GLN 55 5.781 2.867 9.452
404 HB3 GLN 55 3HB GLN 55 4.443 2.081 10.288
405 HG2 GLN 55 2HG GLN 55 6.016 0.546 11.398
406 HG3 GLN 55 3HG GLN 55 7.362 1.282 10.531
407 HE21 GLN 55 1HE2 GLN 55 8.447 2.812 11.772
408 HE22 GLN 55 2HE2 GLN 55 7.738 3.772 12.978
409 H MET 56 H MET 56 2.862 0.212 8.874
410 HA MET 56 HA MET 56 3.060 -1.894 10.805
411 HB2 MET 56 2HB MET 56 0.965 -0.619 10.194
412 HB3 MET 56 3HB MET 56 0.902 -1.550 8.700
413 HG2 MET 56 2HG MET 56 -0.531 -2.672 10.270
414 HG3 MET 56 3HG MET 56 0.925 -3.655 10.146
415 HE1 MET 56 3HE MET 56 1.164 -4.878 12.461
416 HE2 MET 56 1HE MET 56 -0.547 -4.499 12.222
417 HE3 MET 56 2HE MET 56 0.203 -4.251 13.797
418 H VAL 57 H VAL 57 2.757 -2.016 7.236
419 HA VAL 57 HA VAL 57 3.020 -4.917 7.162
420 HB VAL 57 HB VAL 57 3.215 -4.593 4.703
421 HG11 VAL 57 1HG1 VAL 57 1.046 -2.900 5.980
422 HG12 VAL 57 2HG1 VAL 57 0.998 -4.657 5.834
423 HG13 VAL 57 3HG1 VAL 57 0.979 -3.651 4.386
424 HG21 VAL 57 3HG2 VAL 57 4.488 -2.508 4.664
425 HG22 VAL 57 1HG2 VAL 57 3.176 -1.660 5.478
426 HG23 VAL 57 2HG2 VAL 57 2.954 -2.255 3.835
427 H LYS 58 H LYS 58 5.218 -2.319 7.428
428 HA LYS 58 HA LYS 58 7.492 -3.360 6.068
429 HB2 LYS 58 2HB LYS 58 7.289 -1.041 7.002
430 HB3 LYS 58 3HB LYS 58 7.481 -1.719 8.619
431 HG2 LYS 58 2HG LYS 58 9.687 -2.608 8.010
432 HG3 LYS 58 3HG LYS 58 9.492 -1.999 6.366
433 HD2 LYS 58 2HD LYS 58 9.349 0.306 7.234
434 HD3 LYS 58 3HD LYS 58 9.545 -0.301 8.878
435 HE2 LYS 58 2HE LYS 58 11.699 0.499 8.015
436 HE3 LYS 58 3HE LYS 58 11.752 -1.249 8.248
437 HZ1 LYS 58 3HZ LYS 58 12.606 -0.262 6.053
438 HZ2 LYS 58 1HZ LYS 58 10.968 -0.109 5.648
439 HZ3 LYS 58 2HZ LYS 58 11.616 -1.641 5.993
440 H LYS 59 H LYS 59 6.056 -4.188 9.158
441 HA LYS 59 HA LYS 59 8.364 -5.580 10.207
442 HB2 LYS 59 2HB LYS 59 6.219 -4.738 11.450
443 HB3 LYS 59 3HB LYS 59 5.486 -6.237 10.900
444 HG2 LYS 59 2HG LYS 59 6.322 -6.927 12.978
445 HG3 LYS 59 3HG LYS 59 7.690 -7.339 11.949
446 HD2 LYS 59 2HD LYS 59 8.750 -5.163 12.510
447 HD3 LYS 59 3HD LYS 59 7.383 -4.780 13.555
448 HE2 LYS 59 2HE LYS 59 7.873 -6.777 14.924
449 HE3 LYS 59 3HE LYS 59 9.249 -7.148 13.882
450 HZ1 LYS 59 3HZ LYS 59 9.048 -5.257 16.009
451 HZ2 LYS 59 1HZ LYS 59 9.589 -4.528 14.575
452 HZ3 LYS 59 2HZ LYS 59 10.430 -5.855 15.221
453 H LEU 60 H LEU 60 6.470 -6.212 7.559
454 HA LEU 60 HA LEU 60 6.614 -9.197 7.783
455 HB2 LEU 60 2HB LEU 60 5.328 -7.474 5.644
456 HB3 LEU 60 3HB LEU 60 5.125 -9.212 5.863
457 HG LEU 60 HG LEU 60 4.293 -7.081 7.861
458 HD11 LEU 60 1HD1 LEU 60 2.658 -8.815 5.990
459 HD12 LEU 60 2HD1 LEU 60 2.886 -7.072 5.855
460 HD13 LEU 60 3HD1 LEU 60 1.993 -7.741 7.222
461 HD21 LEU 60 3HD2 LEU 60 4.729 -9.011 9.159
462 HD22 LEU 60 1HD2 LEU 60 4.189 -10.110 7.890
463 HD23 LEU 60 2HD2 LEU 60 3.013 -9.167 8.807
464 H ASP 61 H ASP 61 8.288 -10.214 6.845
465 HA ASP 61 HA ASP 61 10.277 -8.773 5.315
466 HB2 ASP 61 2HB ASP 61 11.360 -10.998 5.105
467 HB3 ASP 61 3HB ASP 61 10.909 -10.629 6.769
468 H PHE 62 H PHE 62 7.690 -11.061 4.398
469 HA PHE 62 HA PHE 62 8.633 -11.304 1.669
470 HB2 PHE 62 2HB PHE 62 6.551 -12.466 1.229
471 HB3 PHE 62 3HB PHE 62 7.214 -13.014 2.765
472 HD1 PHE 62 HD1 PHE 62 6.211 -12.285 4.914
473 HD2 PHE 62 HD2 PHE 62 4.482 -11.190 1.135
474 HE1 PHE 62 HE1 PHE 62 4.100 -11.661 6.055
475 HE2 PHE 62 HE2 PHE 62 2.375 -10.563 2.280
476 HZ PHE 62 HZ PHE 62 2.184 -10.799 4.738
477 H LEU 63 H LEU 63 7.951 -8.529 2.881
478 HA LEU 63 HA LEU 63 6.497 -7.527 0.458
479 HB2 LEU 63 2HB LEU 63 5.858 -6.992 3.363
480 HB3 LEU 63 3HB LEU 63 5.439 -5.800 2.137
481 HG LEU 63 HG LEU 63 4.599 -8.683 1.721
482 HD11 LEU 63 1HD1 LEU 63 2.435 -8.141 2.863
483 HD12 LEU 63 2HD1 LEU 63 3.176 -6.664 3.479
484 HD13 LEU 63 3HD1 LEU 63 3.806 -8.236 3.966
485 HD21 LEU 63 3HD2 LEU 63 2.750 -7.623 0.503
486 HD22 LEU 63 1HD2 LEU 63 4.278 -6.971 -0.086
487 HD23 LEU 63 2HD2 LEU 63 3.287 -6.030 1.025
488 H THR 64 H THR 64 7.681 -6.003 -0.515
489 HA THR 64 HA THR 64 10.001 -4.799 0.890
490 HB THR 64 HB THR 64 9.064 -4.503 -1.982
491 HG1 THR 64 HG1 THR 64 10.296 -6.499 -0.660
492 HG21 THR 64 3HG2 THR 64 10.510 -2.670 -1.339
493 HG22 THR 64 1HG2 THR 64 11.453 -3.792 -2.317
494 HG23 THR 64 2HG2 THR 64 11.642 -3.779 -0.564
495 H VAL 65 H VAL 65 10.154 -2.600 1.372
496 HA VAL 65 HA VAL 65 7.681 -0.927 0.954
497 HB VAL 65 HB VAL 65 9.756 -0.787 3.166
498 HG11 VAL 65 1HG1 VAL 65 7.222 0.792 2.615
499 HG12 VAL 65 2HG1 VAL 65 8.864 1.420 2.746
500 HG13 VAL 65 3HG1 VAL 65 8.045 0.794 4.176
501 HG21 VAL 65 3HG2 VAL 65 7.826 -1.525 4.588
502 HG22 VAL 65 1HG2 VAL 65 8.344 -2.750 3.431
503 HG23 VAL 65 2HG2 VAL 65 6.894 -1.796 3.116
504 H GLN 66 H GLN 66 7.956 0.882 -0.199
505 HA GLN 66 HA GLN 66 10.536 2.306 -0.276
506 HB2 GLN 66 2HB GLN 66 10.705 0.567 -2.094
507 HB3 GLN 66 3HB GLN 66 9.274 1.277 -2.843
508 HG2 GLN 66 2HG GLN 66 10.437 3.432 -3.065
509 HG3 GLN 66 3HG GLN 66 11.857 2.757 -2.267
510 HE21 GLN 66 1HE2 GLN 66 13.423 2.052 -3.705
511 HE22 GLN 66 2HE2 GLN 66 13.127 1.485 -5.277
512 H GLU 67 H GLU 67 10.214 4.494 -1.007
513 HA GLU 67 HA GLU 67 7.423 5.305 -1.704
514 HB2 GLU 67 2HB GLU 67 7.384 7.008 0.011
515 HB3 GLU 67 3HB GLU 67 7.762 5.473 0.792
516 HG2 GLU 67 2HG GLU 67 10.228 6.119 0.581
517 HG3 GLU 67 3HG GLU 67 9.662 7.720 0.113
518 H SER 68 H SER 68 7.461 6.712 -3.381
519 HA SER 68 HA SER 68 10.051 7.725 -4.338
520 HB2 SER 68 2HB SER 68 8.793 8.524 -6.247
521 HB3 SER 68 3HB SER 68 8.212 6.906 -5.862
522 HG SER 68 HG SER 68 6.960 9.371 -5.634
523 H ARG 69 H ARG 69 10.486 10.021 -4.605
524 HA ARG 69 HA ARG 69 9.324 11.699 -2.446
525 HB2 ARG 69 2HB ARG 69 11.643 12.049 -4.372
526 HB3 ARG 69 3HB ARG 69 11.109 13.327 -3.286
527 HG2 ARG 69 2HG ARG 69 11.573 11.998 -1.364
528 HG3 ARG 69 3HG ARG 69 11.954 10.567 -2.331
529 HD2 ARG 69 2HD ARG 69 13.927 11.596 -3.238
530 HD3 ARG 69 3HD ARG 69 13.452 13.188 -2.680
531 HE ARG 69 HE ARG 69 15.308 12.067 -1.308
532 HH11 ARG 69 1HH2 ARG 69 12.214 10.871 -0.331
533 HH12 ARG 69 2HH2 ARG 69 12.451 11.321 1.319
534 HH21 ARG 69 1HH1 ARG 69 15.624 12.523 0.819
535 HH22 ARG 69 2HH1 ARG 69 14.376 12.209 1.976
536 H ASN 70 H ASN 70 7.830 13.328 -2.895
537 HA ASN 70 HA ASN 70 7.672 14.452 -5.634
538 HB2 ASN 70 2HB ASN 70 6.179 12.475 -5.715
539 HB3 ASN 70 3HB ASN 70 5.284 13.111 -4.336
540 HD21 ASN 70 1HD2 ASN 70 3.886 12.727 -6.766
541 HD22 ASN 70 2HD2 ASN 70 3.522 14.238 -7.452
542 H GLY 71 H GLY 71 8.113 16.486 -4.861
543 HA2 GLY 71 2HA GLY 71 7.729 18.539 -3.792
544 HA3 GLY 71 3HA GLY 71 6.024 18.093 -3.849
545 H SER 72 H SER 72 5.403 18.706 -1.782
546 HA SER 72 HA SER 72 7.001 17.892 0.569
547 HB2 SER 72 2HB SER 72 4.315 19.287 0.372
548 HB3 SER 72 3HB SER 72 5.232 19.046 1.854
549 HG SER 72 HG SER 72 5.671 20.766 -0.286
550 H LYS 73 H LYS 73 4.659 16.454 -1.404
551 HA LYS 73 HA LYS 73 3.543 14.757 0.807
552 HB2 LYS 73 2HB LYS 73 1.950 15.845 -0.783
553 HB3 LYS 73 3HB LYS 73 2.701 14.949 -2.102
554 HG2 LYS 73 2HG LYS 73 2.082 12.821 -1.051
555 HG3 LYS 73 3HG LYS 73 1.410 13.680 0.336
556 HD2 LYS 73 2HD LYS 73 -0.243 14.765 -1.137
557 HD3 LYS 73 3HD LYS 73 0.429 13.910 -2.525
558 HE2 LYS 73 2HE LYS 73 -1.558 12.733 -1.690
559 HE3 LYS 73 3HE LYS 73 -0.118 11.747 -1.444
560 HZ1 LYS 73 3HZ LYS 73 -0.045 12.348 0.827
561 HZ2 LYS 73 1HZ LYS 73 -1.646 11.891 0.501
562 HZ3 LYS 73 2HZ LYS 73 -1.245 13.536 0.633
563 H LEU 74 H LEU 74 4.592 12.897 1.138
564 HA LEU 74 HA LEU 74 6.322 11.710 -0.958
565 HB2 LEU 74 2HB LEU 74 5.741 10.927 1.914
566 HB3 LEU 74 3HB LEU 74 6.833 10.029 0.863
567 HG LEU 74 HG LEU 74 7.147 12.979 1.512
568 HD11 LEU 74 1HD1 LEU 74 8.939 12.268 3.050
569 HD12 LEU 74 2HD1 LEU 74 8.578 10.578 2.699
570 HD13 LEU 74 3HD1 LEU 74 7.391 11.578 3.536
571 HD21 LEU 74 3HD2 LEU 74 9.606 12.268 0.756
572 HD22 LEU 74 1HD2 LEU 74 8.393 12.663 -0.450
573 HD23 LEU 74 2HD2 LEU 74 8.762 10.976 -0.093
574 H HIS 75 H HIS 75 5.754 9.938 -2.155
575 HA HIS 75 HA HIS 75 3.015 8.786 -1.734
576 HB2 HIS 75 2HB HIS 75 4.919 8.799 -4.102
577 HB3 HIS 75 3HB HIS 75 3.418 7.872 -4.070
578 HD1 HIS 75 HD1 HIS 75 4.613 11.475 -3.763
579 HD2 HIS 75 HD2 HIS 75 1.149 9.352 -4.691
580 HE1 HIS 75 HE1 HIS 75 2.901 13.187 -4.514
581 H SER 76 H SER 76 3.242 7.126 -0.290
582 HA SER 76 HA SER 76 5.605 5.442 -0.189
583 HB2 SER 76 2HB SER 76 2.874 5.270 1.092
584 HB3 SER 76 3HB SER 76 4.115 4.046 1.349
585 HG SER 76 HG SER 76 3.874 6.150 2.732
586 H GLU 77 H GLU 77 5.759 3.255 -0.880
587 HA GLU 77 HA GLU 77 3.560 2.156 -2.585
588 HB2 GLU 77 2HB GLU 77 6.450 2.512 -3.443
589 HB3 GLU 77 3HB GLU 77 5.277 1.518 -4.304
590 HG2 GLU 77 2HG GLU 77 3.848 3.487 -4.657
591 HG3 GLU 77 3HG GLU 77 4.993 4.489 -3.773
592 H ILE 78 H ILE 78 3.655 -0.133 -2.763
593 HA ILE 78 HA ILE 78 5.727 -1.569 -1.152
594 HB ILE 78 HB ILE 78 3.928 -2.912 -0.068
595 HG12 ILE 78 2HG1 ILE 78 2.069 -0.795 -1.208
596 HG13 ILE 78 3HG1 ILE 78 2.166 -2.449 -1.804
597 HG21 ILE 78 1HG2 ILE 78 3.319 -1.231 1.573
598 HG22 ILE 78 2HG2 ILE 78 3.612 0.065 0.415
599 HG23 ILE 78 3HG2 ILE 78 4.959 -0.896 1.024
600 HD11 ILE 78 3HD1 ILE 78 1.273 -1.527 0.937
601 HD12 ILE 78 1HD1 ILE 78 1.641 -3.214 0.573
602 HD13 ILE 78 2HD1 ILE 78 0.328 -2.397 -0.270
603 H ARG 79 H ARG 79 5.985 -3.774 -1.768
604 HA ARG 79 HA ARG 79 4.377 -4.886 -3.976
605 HB2 ARG 79 2HB ARG 79 6.001 -3.356 -5.115
606 HB3 ARG 79 3HB ARG 79 7.325 -4.262 -4.388
607 HG2 ARG 79 2HG ARG 79 6.543 -6.309 -5.554
608 HG3 ARG 79 3HG ARG 79 5.243 -5.376 -6.300
609 HD2 ARG 79 2HD ARG 79 6.985 -3.845 -7.270
610 HD3 ARG 79 3HD ARG 79 8.222 -4.926 -6.639
611 HE ARG 79 HE ARG 79 6.577 -5.382 -9.007
612 HH11 ARG 79 1HH2 ARG 79 8.165 -6.929 -6.372
613 HH12 ARG 79 2HH2 ARG 79 8.729 -8.264 -7.319
614 HH21 ARG 79 1HH1 ARG 79 7.318 -7.112 -10.268
615 HH22 ARG 79 2HH1 ARG 79 8.254 -8.366 -9.526
616 H LEU 80 H LEU 80 4.900 -7.161 -4.289
617 HA LEU 80 HA LEU 80 5.646 -8.507 -1.870
618 HB2 LEU 80 2HB LEU 80 5.573 -9.652 -4.676
619 HB3 LEU 80 3HB LEU 80 5.435 -10.553 -3.169
620 HG LEU 80 HG LEU 80 3.473 -8.433 -4.121
621 HD11 LEU 80 1HD1 LEU 80 3.316 -11.459 -4.085
622 HD12 LEU 80 2HD1 LEU 80 3.309 -10.415 -5.507
623 HD13 LEU 80 3HD1 LEU 80 1.942 -10.397 -4.393
624 HD21 LEU 80 3HD2 LEU 80 3.309 -8.424 -1.759
625 HD22 LEU 80 1HD2 LEU 80 3.635 -10.153 -1.628
626 HD23 LEU 80 2HD2 LEU 80 2.075 -9.587 -2.222
627 H ARG 81 H ARG 81 7.597 -9.369 -1.200
628 HA ARG 81 HA ARG 81 10.009 -8.356 -2.431
629 HB2 ARG 81 2HB ARG 81 9.807 -8.782 -0.001
630 HB3 ARG 81 3HB ARG 81 9.690 -10.511 -0.321
631 HG2 ARG 81 2HG ARG 81 11.918 -10.588 -1.222
632 HG3 ARG 81 3HG ARG 81 12.046 -8.831 -1.226
633 HD2 ARG 81 2HD ARG 81 13.271 -9.672 0.683
634 HD3 ARG 81 3HD ARG 81 11.822 -8.867 1.274
635 HE ARG 81 HE ARG 81 11.067 -10.948 2.094
636 HH11 ARG 81 1HH2 ARG 81 13.473 -11.356 -0.351
637 HH12 ARG 81 2HH2 ARG 81 13.717 -13.038 -0.019
638 HH21 ARG 81 1HH1 ARG 81 11.377 -13.143 2.542
639 HH22 ARG 81 2HH1 ARG 81 12.532 -14.050 1.622
640 H HIS 82 H HIS 82 9.724 -9.217 -4.612
641 HA HIS 82 HA HIS 82 11.107 -11.772 -4.965
642 HB2 HIS 82 2HB HIS 82 8.754 -12.505 -4.620
643 HB3 HIS 82 3HB HIS 82 8.253 -11.469 -5.957
644 HD1 HIS 82 HD1 HIS 82 10.859 -14.218 -5.407
645 HD2 HIS 82 HD2 HIS 82 8.216 -12.864 -8.331
646 HE1 HIS 82 HE1 HIS 82 11.076 -15.814 -7.363
647 H ASP 83 H ASP 83 11.699 -12.091 -7.237
648 HA ASP 83 HA ASP 83 12.565 -11.259 -9.247
649 HB2 ASP 83 2HB ASP 83 9.863 -9.873 -9.177
650 HB3 ASP 83 3HB ASP 83 10.936 -9.843 -10.574
651 H GLY 84 H GLY 84 13.307 -9.850 -6.806
652 HA2 GLY 84 2HA GLY 84 14.312 -7.371 -8.041
653 HA3 GLY 84 3HA GLY 84 13.220 -7.122 -6.673
654 H LEU 85 H LEU 85 16.367 -8.320 -7.646
655 HA LEU 85 HA LEU 85 17.123 -9.039 -4.873
656 HB2 LEU 85 2HB LEU 85 18.506 -9.159 -7.558
657 HB3 LEU 85 3HB LEU 85 19.420 -9.393 -6.074
658 HG LEU 85 HG LEU 85 18.632 -11.535 -7.128
659 HD11 LEU 85 1HD1 LEU 85 17.175 -11.339 -4.492
660 HD12 LEU 85 2HD1 LEU 85 18.921 -11.108 -4.521
661 HD13 LEU 85 3HD1 LEU 85 18.224 -12.610 -5.107
662 HD21 LEU 85 3HD2 LEU 85 16.434 -10.513 -7.919
663 HD22 LEU 85 1HD2 LEU 85 15.858 -10.690 -6.259
664 HD23 LEU 85 2HD2 LEU 85 16.311 -12.114 -7.191
665 H GLU 86 H GLU 86 16.795 -6.210 -6.541
666 HA GLU 86 HA GLU 86 17.673 -4.049 -6.289
667 HB2 GLU 86 2HB GLU 86 18.359 -5.223 -3.573
668 HB3 GLU 86 3HB GLU 86 18.479 -3.512 -3.970
669 HG2 GLU 86 2HG GLU 86 16.340 -3.841 -2.917
670 HG3 GLU 86 3HG GLU 86 16.032 -3.585 -4.633
671 H HIS 87 H HIS 87 19.365 -3.705 -7.649
672 HA HIS 87 HA HIS 87 21.905 -5.080 -7.432
673 HB2 HIS 87 2HB HIS 87 21.092 -2.580 -8.949
674 HB3 HIS 87 3HB HIS 87 22.657 -3.375 -9.122
675 HD1 HIS 87 HD1 HIS 87 18.995 -3.845 -9.859
676 HD2 HIS 87 HD2 HIS 87 22.605 -5.795 -10.593
677 HE1 HIS 87 HE1 HIS 87 18.496 -5.662 -11.551
678 H HIS 88 H HIS 88 23.904 -4.214 -6.703
679 HA HIS 88 HA HIS 88 25.246 -3.075 -5.154
680 HB2 HIS 88 2HB HIS 88 23.550 -0.760 -6.142
681 HB3 HIS 88 3HB HIS 88 25.049 -0.599 -5.229
682 HD1 HIS 88 HD1 HIS 88 23.729 -1.712 -8.580
683 HD2 HIS 88 HD2 HIS 88 27.406 -1.065 -6.722
684 HE1 HIS 88 HE1 HIS 88 25.485 -1.832 -10.402
685 H HIS 89 H HIS 89 25.023 -1.386 -3.193
686 HA HIS 89 HA HIS 89 22.930 -2.517 -1.443
687 HB2 HIS 89 2HB HIS 89 24.082 -1.246 0.335
688 HB3 HIS 89 3HB HIS 89 25.212 -2.246 -0.578
689 HD1 HIS 89 HD1 HIS 89 26.560 -0.928 -2.539
690 HD2 HIS 89 HD2 HIS 89 24.738 1.446 0.362
691 HE1 HIS 89 HE1 HIS 89 27.635 1.360 -2.706
692 H HIS 90 H HIS 90 21.239 -1.345 -0.533
693 HA HIS 90 HA HIS 90 20.252 0.924 -2.043
694 HB2 HIS 90 2HB HIS 90 18.790 -0.783 -0.929
695 HB3 HIS 90 3HB HIS 90 19.290 -0.138 0.633
696 HD1 HIS 90 HD1 HIS 90 18.531 2.326 1.204
697 HD2 HIS 90 HD2 HIS 90 16.880 0.770 -2.293
698 HE1 HIS 90 HE1 HIS 90 16.606 3.850 0.581
699 H HIS 91 H HIS 91 20.215 3.103 -1.441
700 HA HIS 91 HA HIS 91 22.301 4.003 0.363
701 HB2 HIS 91 2HB HIS 91 20.059 5.526 -0.998
702 HB3 HIS 91 3HB HIS 91 21.417 6.271 -0.157
703 HD1 HIS 91 HD1 HIS 91 23.867 5.573 -1.147
704 HD2 HIS 91 HD2 HIS 91 20.598 4.913 -3.646
705 HE1 HIS 91 HE1 HIS 91 24.798 5.298 -3.488
706 H HIS 92 H HIS 92 22.100 4.832 2.440
707 HA HIS 92 HA HIS 92 21.164 5.009 4.585
708 HB2 HIS 92 2HB HIS 92 18.825 5.998 2.927
709 HB3 HIS 92 3HB HIS 92 19.011 6.235 4.663
710 HD1 HIS 92 HD1 HIS 92 21.241 7.605 5.394
711 HD2 HIS 92 HD2 HIS 92 20.133 7.907 1.386
712 HE1 HIS 92 HE1 HIS 92 22.471 9.613 4.460
Start of MODEL 4
1 H1 MET 1 1H MET 1 -11.050 -7.149 13.168
2 H2 MET 1 2H MET 1 -9.583 -6.546 13.775
3 H3 MET 1 3H MET 1 -9.973 -8.188 13.964
4 HA MET 1 HA MET 1 -8.928 -6.775 11.643
5 HB2 MET 1 2HB MET 1 -8.759 -9.612 12.721
6 HB3 MET 1 3HB MET 1 -7.899 -9.035 11.295
7 HG2 MET 1 2HG MET 1 -6.350 -8.896 13.125
8 HG3 MET 1 3HG MET 1 -6.859 -7.244 12.777
9 HE1 MET 1 3HE MET 1 -5.602 -7.065 15.182
10 HE2 MET 1 1HE MET 1 -5.602 -8.800 15.530
11 HE3 MET 1 2HE MET 1 -6.281 -7.664 16.693
12 HA PRO 2 HA PRO 2 -13.031 -8.420 10.021
13 HB2 PRO 2 2HB PRO 2 -12.812 -5.953 8.331
14 HB3 PRO 2 3HB PRO 2 -14.192 -6.545 9.282
15 HG2 PRO 2 2HG PRO 2 -12.768 -4.425 10.087
16 HG3 PRO 2 3HG PRO 2 -13.411 -5.601 11.252
17 HD2 PRO 2 2HD PRO 2 -10.583 -5.346 10.212
18 HD3 PRO 2 3HD PRO 2 -11.146 -5.688 11.865
19 H HIS 3 H HIS 3 -13.288 -9.588 8.076
20 HA HIS 3 HA HIS 3 -11.529 -9.128 5.771
21 HB2 HIS 3 2HB HIS 3 -11.243 -11.635 7.463
22 HB3 HIS 3 3HB HIS 3 -10.611 -11.475 5.824
23 HD1 HIS 3 HD1 HIS 3 -9.185 -8.981 5.634
24 HD2 HIS 3 HD2 HIS 3 -9.231 -11.045 9.256
25 HE1 HIS 3 HE1 HIS 3 -7.203 -8.135 6.966
26 H LYS 4 H LYS 4 -13.412 -11.810 7.221
27 HA LYS 4 HA LYS 4 -15.200 -13.065 6.387
28 HB2 LYS 4 2HB LYS 4 -16.246 -10.775 6.369
29 HB3 LYS 4 3HB LYS 4 -15.754 -10.619 4.686
30 HG2 LYS 4 2HG LYS 4 -17.087 -12.564 4.066
31 HG3 LYS 4 3HG LYS 4 -17.498 -12.852 5.753
32 HD2 LYS 4 2HD LYS 4 -19.376 -11.737 4.709
33 HD3 LYS 4 3HD LYS 4 -18.614 -10.596 5.815
34 HE2 LYS 4 2HE LYS 4 -17.618 -9.369 4.023
35 HE3 LYS 4 3HE LYS 4 -17.899 -10.671 2.866
36 HZ1 LYS 4 3HZ LYS 4 -19.565 -8.517 3.486
37 HZ2 LYS 4 1HZ LYS 4 -20.350 -9.927 4.005
38 HZ3 LYS 4 2HZ LYS 4 -19.851 -9.781 2.387
39 H GLU 5 H GLU 5 -14.376 -11.193 3.449
40 HA GLU 5 HA GLU 5 -14.562 -13.473 1.739
41 HB2 GLU 5 2HB GLU 5 -14.743 -11.146 0.928
42 HB3 GLU 5 3HB GLU 5 -13.042 -10.883 1.300
43 HG2 GLU 5 2HG GLU 5 -12.397 -12.621 -0.320
44 HG3 GLU 5 3HG GLU 5 -14.095 -12.958 -0.651
45 H LYS 6 H LYS 6 -11.501 -11.754 1.684
46 HA LYS 6 HA LYS 6 -10.075 -14.365 1.935
47 HB2 LYS 6 2HB LYS 6 -8.094 -12.922 1.106
48 HB3 LYS 6 3HB LYS 6 -9.407 -13.219 -0.034
49 HG2 LYS 6 2HG LYS 6 -10.388 -11.025 0.476
50 HG3 LYS 6 3HG LYS 6 -9.118 -10.717 1.661
51 HD2 LYS 6 2HD LYS 6 -7.425 -10.842 -0.115
52 HD3 LYS 6 3HD LYS 6 -8.687 -11.185 -1.302
53 HE2 LYS 6 2HE LYS 6 -9.770 -9.023 -0.774
54 HE3 LYS 6 3HE LYS 6 -8.490 -8.672 0.385
55 HZ1 LYS 6 3HZ LYS 6 -7.639 -7.643 -1.425
56 HZ2 LYS 6 1HZ LYS 6 -8.416 -8.668 -2.531
57 HZ3 LYS 6 2HZ LYS 6 -7.017 -9.196 -1.723
58 H HIS 7 H HIS 7 -9.025 -14.884 3.732
59 HA HIS 7 HA HIS 7 -8.687 -12.873 5.882
60 HB2 HIS 7 2HB HIS 7 -7.780 -15.708 6.298
61 HB3 HIS 7 3HB HIS 7 -8.666 -14.640 7.386
62 HD1 HIS 7 HD1 HIS 7 -9.144 -16.955 4.463
63 HD2 HIS 7 HD2 HIS 7 -11.498 -14.831 7.169
64 HE1 HIS 7 HE1 HIS 7 -11.525 -17.736 4.105
65 HA PRO 8 HA PRO 8 -4.109 -14.430 4.975
66 HB2 PRO 8 2HB PRO 8 -4.286 -14.370 1.973
67 HB3 PRO 8 3HB PRO 8 -3.361 -15.466 3.024
68 HG2 PRO 8 2HG PRO 8 -5.557 -16.328 1.828
69 HG3 PRO 8 3HG PRO 8 -5.232 -16.772 3.518
70 HD2 PRO 8 2HD PRO 8 -7.123 -14.639 2.480
71 HD3 PRO 8 3HD PRO 8 -7.390 -15.831 3.776
72 H LEU 9 H LEU 9 -2.890 -12.640 5.293
73 HA LEU 9 HA LEU 9 -3.735 -10.031 4.381
74 HB2 LEU 9 2HB LEU 9 -1.005 -10.824 5.445
75 HB3 LEU 9 3HB LEU 9 -1.725 -9.215 5.454
76 HG LEU 9 HG LEU 9 -2.788 -11.624 6.966
77 HD11 LEU 9 1HD1 LEU 9 -0.694 -10.783 7.908
78 HD12 LEU 9 2HD1 LEU 9 -2.035 -10.335 8.962
79 HD13 LEU 9 3HD1 LEU 9 -1.319 -9.134 7.887
80 HD21 LEU 9 3HD2 LEU 9 -3.754 -8.761 6.675
81 HD22 LEU 9 1HD2 LEU 9 -4.149 -9.707 8.112
82 HD23 LEU 9 2HD2 LEU 9 -4.683 -10.253 6.527
83 H GLN 10 H GLN 10 -1.216 -12.316 3.331
84 HA GLN 10 HA GLN 10 0.095 -10.667 1.442
85 HB2 GLN 10 2HB GLN 10 0.866 -12.934 2.130
86 HB3 GLN 10 3HB GLN 10 -0.472 -13.640 1.225
87 HG2 GLN 10 2HG GLN 10 0.398 -12.743 -0.866
88 HG3 GLN 10 3HG GLN 10 1.670 -11.876 -0.001
89 HE21 GLN 10 1HE2 GLN 10 3.636 -12.965 -0.078
90 HE22 GLN 10 2HE2 GLN 10 3.818 -14.652 -0.128
91 H ASP 11 H ASP 11 -2.751 -12.772 1.029
92 HA ASP 11 HA ASP 11 -3.134 -12.158 -1.745
93 HB2 ASP 11 2HB ASP 11 -4.209 -14.083 -0.524
94 HB3 ASP 11 3HB ASP 11 -5.264 -12.920 0.279
95 H MET 12 H MET 12 -4.257 -10.632 1.252
96 HA MET 12 HA MET 12 -6.120 -8.831 0.063
97 HB2 MET 12 2HB MET 12 -5.952 -9.282 2.506
98 HB3 MET 12 3HB MET 12 -4.419 -8.413 2.539
99 HG2 MET 12 2HG MET 12 -5.509 -6.355 1.854
100 HG3 MET 12 3HG MET 12 -7.037 -7.202 1.617
101 HE1 MET 12 3HE MET 12 -4.191 -6.481 3.989
102 HE2 MET 12 1HE MET 12 -4.961 -6.036 5.519
103 HE3 MET 12 2HE MET 12 -5.119 -4.988 4.112
104 H PHE 13 H PHE 13 -2.690 -8.242 0.996
105 HA PHE 13 HA PHE 13 -2.638 -5.645 -0.288
106 HB2 PHE 13 2HB PHE 13 -0.398 -7.487 0.608
107 HB3 PHE 13 3HB PHE 13 -0.142 -5.856 -0.006
108 HD1 PHE 13 HD1 PHE 13 -1.429 -3.927 1.133
109 HD2 PHE 13 HD2 PHE 13 -0.890 -7.794 2.928
110 HE1 PHE 13 HE1 PHE 13 -1.905 -2.961 3.367
111 HE2 PHE 13 HE2 PHE 13 -1.372 -6.824 5.160
112 HZ PHE 13 HZ PHE 13 -1.875 -4.408 5.378
113 H THR 14 H THR 14 -1.572 -8.899 -1.304
114 HA THR 14 HA THR 14 -0.318 -8.105 -3.729
115 HB THR 14 HB THR 14 -1.795 -10.677 -3.092
116 HG1 THR 14 HG1 THR 14 0.964 -10.058 -2.971
117 HG21 THR 14 3HG2 THR 14 0.199 -9.964 -5.260
118 HG22 THR 14 1HG2 THR 14 -1.452 -10.545 -5.478
119 HG23 THR 14 2HG2 THR 14 -0.218 -11.620 -4.824
120 H SER 15 H SER 15 -3.709 -9.065 -3.120
121 HA SER 15 HA SER 15 -4.585 -8.838 -5.826
122 HB2 SER 15 2HB SER 15 -6.063 -9.906 -4.288
123 HB3 SER 15 3HB SER 15 -6.006 -8.540 -3.179
124 HG SER 15 HG SER 15 -6.978 -7.319 -4.960
125 H ALA 16 H ALA 16 -4.558 -6.421 -3.187
126 HA ALA 16 HA ALA 16 -5.770 -4.336 -4.752
127 HB1 ALA 16 3HB ALA 16 -5.672 -4.335 -2.274
128 HB2 ALA 16 1HB ALA 16 -5.022 -2.847 -2.961
129 HB3 ALA 16 2HB ALA 16 -3.931 -4.098 -2.363
130 H ILE 17 H ILE 17 -2.347 -5.086 -4.047
131 HA ILE 17 HA ILE 17 -1.244 -2.799 -5.353
132 HB ILE 17 HB ILE 17 -0.167 -5.600 -4.922
133 HG12 ILE 17 2HG1 ILE 17 0.587 -3.037 -3.469
134 HG13 ILE 17 3HG1 ILE 17 -0.748 -4.045 -2.923
135 HG21 ILE 17 1HG2 ILE 17 1.222 -3.108 -5.952
136 HG22 ILE 17 2HG2 ILE 17 1.163 -4.702 -6.702
137 HG23 ILE 17 3HG2 ILE 17 2.105 -4.456 -5.235
138 HD11 ILE 17 3HD1 ILE 17 2.147 -4.889 -3.218
139 HD12 ILE 17 1HD1 ILE 17 0.836 -5.995 -2.815
140 HD13 ILE 17 2HD1 ILE 17 1.260 -4.692 -1.710
141 H GLU 18 H GLU 18 -1.896 -6.082 -6.579
142 HA GLU 18 HA GLU 18 -0.984 -5.537 -9.248
143 HB2 GLU 18 2HB GLU 18 -2.895 -7.636 -8.173
144 HB3 GLU 18 3HB GLU 18 -2.283 -7.614 -9.827
145 HG2 GLU 18 2HG GLU 18 0.021 -7.785 -9.017
146 HG3 GLU 18 3HG GLU 18 -0.536 -7.705 -7.347
147 H ALA 19 H ALA 19 -4.045 -5.008 -7.607
148 HA ALA 19 HA ALA 19 -5.686 -4.679 -9.932
149 HB1 ALA 19 3HB ALA 19 -6.527 -4.910 -7.583
150 HB2 ALA 19 1HB ALA 19 -7.249 -3.564 -8.461
151 HB3 ALA 19 2HB ALA 19 -5.983 -3.261 -7.270
152 H VAL 20 H VAL 20 -3.756 -2.320 -8.065
153 HA VAL 20 HA VAL 20 -4.242 -0.282 -10.237
154 HB VAL 20 HB VAL 20 -3.493 1.381 -8.467
155 HG11 VAL 20 1HG1 VAL 20 -5.669 1.309 -7.253
156 HG12 VAL 20 2HG1 VAL 20 -5.956 -0.301 -7.913
157 HG13 VAL 20 3HG1 VAL 20 -5.862 1.090 -8.993
158 HG21 VAL 20 3HG2 VAL 20 -2.392 -0.441 -7.043
159 HG22 VAL 20 1HG2 VAL 20 -4.015 -0.900 -6.540
160 HG23 VAL 20 2HG2 VAL 20 -3.401 0.706 -6.164
161 H ALA 21 H ALA 21 -2.106 -2.535 -9.957
162 HA ALA 21 HA ALA 21 0.419 -1.205 -9.568
163 HB1 ALA 21 3HB ALA 21 0.519 -3.569 -9.425
164 HB2 ALA 21 1HB ALA 21 1.246 -3.244 -10.997
165 HB3 ALA 21 2HB ALA 21 -0.429 -3.789 -10.893
166 H ARG 22 H ARG 22 -1.858 -0.551 -11.808
167 HA ARG 22 HA ARG 22 -1.848 0.564 -13.862
168 HB2 ARG 22 2HB ARG 22 1.132 1.061 -13.502
169 HB3 ARG 22 3HB ARG 22 -0.049 2.063 -14.337
170 HG2 ARG 22 2HG ARG 22 -0.176 1.604 -11.331
171 HG3 ARG 22 3HG ARG 22 0.749 2.912 -12.047
172 HD2 ARG 22 2HD ARG 22 -1.122 4.071 -12.730
173 HD3 ARG 22 3HD ARG 22 -2.113 2.643 -12.921
174 HE ARG 22 HE ARG 22 -1.841 2.715 -10.190
175 HH11 ARG 22 1HH2 ARG 22 -2.260 5.313 -12.371
176 HH12 ARG 22 2HH2 ARG 22 -3.640 5.983 -11.587
177 HH21 ARG 22 1HH1 ARG 22 -3.731 3.572 -9.093
178 HH22 ARG 22 2HH1 ARG 22 -4.478 4.996 -9.739
179 H ASP 23 H ASP 23 0.638 0.648 -15.565
180 HA ASP 23 HA ASP 23 0.099 -1.613 -17.194
181 HB2 ASP 23 2HB ASP 23 1.211 0.462 -17.972
182 HB3 ASP 23 3HB ASP 23 2.634 0.044 -17.019
183 H SER 24 H SER 24 2.831 -1.046 -14.942
184 HA SER 24 HA SER 24 2.929 -3.695 -13.933
185 HB2 SER 24 2HB SER 24 3.629 -4.685 -15.935
186 HB3 SER 24 3HB SER 24 4.423 -3.216 -16.495
187 HG SER 24 HG SER 24 5.404 -4.490 -14.197
188 H GLY 25 H GLY 25 3.375 -2.345 -12.080
189 HA2 GLY 25 2HA GLY 25 6.172 -2.011 -11.517
190 HA3 GLY 25 3HA GLY 25 5.448 -0.445 -11.879
191 H TRP 26 H TRP 26 6.195 -0.211 -9.523
192 HA TRP 26 HA TRP 26 4.885 -1.508 -7.366
193 HB2 TRP 26 2HB TRP 26 5.922 1.334 -7.580
194 HB3 TRP 26 3HB TRP 26 5.475 0.543 -6.072
195 HD1 TRP 26 HD1 TRP 26 7.947 0.120 -8.999
196 HE1 TRP 26 HE1 TRP 26 10.043 -1.096 -8.114
197 HE3 TRP 26 HE3 TRP 26 6.457 -0.840 -4.210
198 HZ2 TRP 26 HZ2 TRP 26 10.967 -2.309 -5.695
199 HZ3 TRP 26 HZ3 TRP 26 7.962 -2.022 -2.638
200 HH2 TRP 26 HH2 TRP 26 10.213 -2.758 -3.372
201 H ALA 27 H ALA 27 3.496 0.169 -5.829
202 HA ALA 27 HA ALA 27 1.336 1.468 -7.436
203 HB1 ALA 27 3HB ALA 27 0.944 -0.777 -5.431
204 HB2 ALA 27 1HB ALA 27 0.506 -0.792 -7.139
205 HB3 ALA 27 2HB ALA 27 -0.363 0.254 -6.015
206 H GLU 28 H GLU 28 0.390 3.190 -6.320
207 HA GLU 28 HA GLU 28 1.812 4.287 -4.068
208 HB2 GLU 28 2HB GLU 28 -0.859 5.007 -5.310
209 HB3 GLU 28 3HB GLU 28 -0.069 5.963 -4.055
210 HG2 GLU 28 2HG GLU 28 1.874 6.317 -5.493
211 HG3 GLU 28 3HG GLU 28 1.175 5.282 -6.736
212 H LEU 29 H LEU 29 1.448 4.022 -1.894
213 HA LEU 29 HA LEU 29 -0.188 1.955 -0.864
214 HB2 LEU 29 2HB LEU 29 1.723 2.989 0.352
215 HB3 LEU 29 3HB LEU 29 0.781 4.461 0.552
216 HG LEU 29 HG LEU 29 -0.911 3.175 1.868
217 HD11 LEU 29 1HD1 LEU 29 -0.767 0.923 1.167
218 HD12 LEU 29 2HD1 LEU 29 0.010 0.885 2.743
219 HD13 LEU 29 3HD1 LEU 29 0.993 0.901 1.281
220 HD21 LEU 29 3HD2 LEU 29 1.942 2.906 2.865
221 HD22 LEU 29 1HD2 LEU 29 0.496 2.938 3.873
222 HD23 LEU 29 2HD2 LEU 29 0.963 4.370 2.962
223 H SER 30 H SER 30 -0.854 5.442 -1.224
224 HA SER 30 HA SER 30 -3.297 5.536 0.197
225 HB2 SER 30 2HB SER 30 -3.865 7.471 -1.232
226 HB3 SER 30 3HB SER 30 -2.189 7.554 -0.697
227 HG SER 30 HG SER 30 -2.811 6.247 -3.100
228 H ALA 31 H ALA 31 -2.671 4.620 -3.190
229 HA ALA 31 HA ALA 31 -5.410 4.219 -3.911
230 HB1 ALA 31 3HB ALA 31 -4.511 2.853 -5.764
231 HB2 ALA 31 1HB ALA 31 -2.930 2.835 -4.984
232 HB3 ALA 31 2HB ALA 31 -3.598 4.351 -5.583
233 H VAL 32 H VAL 32 -3.007 2.080 -2.401
234 HA VAL 32 HA VAL 32 -4.530 -0.335 -2.571
235 HB VAL 32 HB VAL 32 -2.508 0.570 -0.494
236 HG11 VAL 32 1HG1 VAL 32 -2.248 -1.948 -0.147
237 HG12 VAL 32 2HG1 VAL 32 -3.760 -2.137 -1.032
238 HG13 VAL 32 3HG1 VAL 32 -3.734 -1.249 0.488
239 HG21 VAL 32 3HG2 VAL 32 -1.647 0.493 -2.793
240 HG22 VAL 32 1HG2 VAL 32 -2.278 -1.142 -2.990
241 HG23 VAL 32 2HG2 VAL 32 -0.966 -0.833 -1.850
242 H GLY 33 H GLY 33 -4.341 2.087 0.057
243 HA2 GLY 33 2HA GLY 33 -6.175 0.804 1.800
244 HA3 GLY 33 3HA GLY 33 -5.864 2.539 1.793
245 H SER 34 H SER 34 -6.788 3.263 -0.727
246 HA SER 34 HA SER 34 -9.624 3.366 -0.292
247 HB2 SER 34 2HB SER 34 -8.062 3.920 -2.831
248 HB3 SER 34 3HB SER 34 -9.731 4.397 -2.528
249 HG SER 34 HG SER 34 -8.197 5.159 -0.476
250 H TYR 35 H TYR 35 -7.626 1.410 -2.514
251 HA TYR 35 HA TYR 35 -9.775 0.143 -3.892
252 HB2 TYR 35 2HB TYR 35 -7.448 0.004 -4.668
253 HB3 TYR 35 3HB TYR 35 -7.007 -0.917 -3.232
254 HD1 TYR 35 HD1 TYR 35 -8.819 -1.004 -6.448
255 HD2 TYR 35 HD2 TYR 35 -7.694 -3.261 -2.968
256 HE1 TYR 35 HE1 TYR 35 -9.487 -3.102 -7.590
257 HE2 TYR 35 HE2 TYR 35 -8.357 -5.362 -4.116
258 HH TYR 35 HH TYR 35 -10.266 -5.684 -6.390
259 H LEU 36 H LEU 36 -7.952 -0.924 -1.009
260 HA LEU 36 HA LEU 36 -9.447 -3.329 -0.616
261 HB2 LEU 36 2HB LEU 36 -7.974 -1.562 1.358
262 HB3 LEU 36 3HB LEU 36 -8.586 -3.168 1.743
263 HG LEU 36 HG LEU 36 -6.634 -2.610 -0.518
264 HD11 LEU 36 1HD1 LEU 36 -4.884 -3.470 0.970
265 HD12 LEU 36 2HD1 LEU 36 -6.062 -3.678 2.266
266 HD13 LEU 36 3HD1 LEU 36 -5.656 -2.059 1.696
267 HD21 LEU 36 3HD2 LEU 36 -6.220 -5.172 -0.088
268 HD22 LEU 36 1HD2 LEU 36 -7.647 -4.702 -0.996
269 HD23 LEU 36 2HD2 LEU 36 -7.792 -5.132 0.702
270 H ALA 37 H ALA 37 -9.905 -0.029 0.630
271 HA ALA 37 HA ALA 37 -12.110 -0.614 2.339
272 HB1 ALA 37 3HB ALA 37 -11.033 1.564 2.443
273 HB2 ALA 37 1HB ALA 37 -12.723 1.804 1.997
274 HB3 ALA 37 2HB ALA 37 -11.463 1.901 0.766
275 H LYS 38 H LYS 38 -12.012 0.271 -1.114
276 HA LYS 38 HA LYS 38 -14.847 0.270 -1.513
277 HB2 LYS 38 2HB LYS 38 -13.165 1.232 -3.099
278 HB3 LYS 38 3HB LYS 38 -12.682 -0.410 -3.524
279 HG2 LYS 38 2HG LYS 38 -14.954 -0.901 -4.316
280 HG3 LYS 38 3HG LYS 38 -15.484 0.712 -3.834
281 HD2 LYS 38 2HD LYS 38 -13.862 1.712 -5.407
282 HD3 LYS 38 3HD LYS 38 -13.350 0.098 -5.899
283 HE2 LYS 38 2HE LYS 38 -15.631 -0.399 -6.684
284 HE3 LYS 38 3HE LYS 38 -16.160 1.205 -6.176
285 HZ1 LYS 38 3HZ LYS 38 -14.026 0.674 -8.169
286 HZ2 LYS 38 1HZ LYS 38 -14.629 2.195 -7.725
287 HZ3 LYS 38 2HZ LYS 38 -15.628 1.094 -8.550
288 H ASN 39 H ASN 39 -12.398 -2.305 -1.932
289 HA ASN 39 HA ASN 39 -14.450 -4.292 -2.656
290 HB2 ASN 39 2HB ASN 39 -11.483 -4.534 -2.065
291 HB3 ASN 39 3HB ASN 39 -12.500 -5.872 -2.600
292 HD21 ASN 39 1HD2 ASN 39 -10.497 -3.380 -3.737
293 HD22 ASN 39 2HD2 ASN 39 -11.038 -3.344 -5.345
294 H ASP 40 H ASP 40 -13.327 -2.943 0.216
295 HA ASP 40 HA ASP 40 -14.700 -5.010 1.820
296 HB2 ASP 40 2HB ASP 40 -11.820 -4.268 2.436
297 HB3 ASP 40 3HB ASP 40 -12.821 -5.457 3.272
298 HA PRO 41 HA PRO 41 -15.273 -0.510 3.037
299 HB2 PRO 41 2HB PRO 41 -17.916 -1.712 3.845
300 HB3 PRO 41 3HB PRO 41 -17.587 -0.184 2.997
301 HG2 PRO 41 2HG PRO 41 -18.538 -2.293 1.673
302 HG3 PRO 41 3HG PRO 41 -17.321 -1.228 0.941
303 HD2 PRO 41 2HD PRO 41 -16.932 -3.970 2.141
304 HD3 PRO 41 3HD PRO 41 -16.146 -3.249 0.718
305 H SER 42 H SER 42 -15.856 -3.566 4.673
306 HA SER 42 HA SER 42 -16.012 -2.526 7.352
307 HB2 SER 42 2HB SER 42 -15.625 -4.872 8.020
308 HB3 SER 42 3HB SER 42 -16.823 -4.781 6.731
309 HG SER 42 HG SER 42 -14.106 -5.032 6.082
310 H PHE 43 H PHE 43 -13.422 -2.817 5.158
311 HA PHE 43 HA PHE 43 -11.307 -3.265 7.131
312 HB2 PHE 43 2HB PHE 43 -11.068 -3.840 4.700
313 HB3 PHE 43 3HB PHE 43 -11.099 -2.117 4.325
314 HD1 PHE 43 HD2 PHE 43 -9.356 -4.544 6.601
315 HD2 PHE 43 HD1 PHE 43 -9.015 -0.976 4.221
316 HE1 PHE 43 HE2 PHE 43 -6.933 -4.427 7.113
317 HE2 PHE 43 HE1 PHE 43 -6.595 -0.879 4.730
318 HZ PHE 43 HZ PHE 43 -5.555 -2.595 6.179
319 H ASP 44 H ASP 44 -10.599 -1.731 8.505
320 HA ASP 44 HA ASP 44 -11.108 1.179 7.907
321 HB2 ASP 44 2HB ASP 44 -10.926 -0.365 10.508
322 HB3 ASP 44 3HB ASP 44 -10.968 1.393 10.436
323 HA PRO 45 HA PRO 45 -6.506 0.682 8.062
324 HB2 PRO 45 2HB PRO 45 -5.832 2.788 6.392
325 HB3 PRO 45 3HB PRO 45 -6.195 1.153 5.823
326 HG2 PRO 45 2HG PRO 45 -7.872 3.594 5.709
327 HG3 PRO 45 3HG PRO 45 -7.865 2.179 4.642
328 HD2 PRO 45 2HD PRO 45 -9.775 2.685 6.683
329 HD3 PRO 45 3HD PRO 45 -9.533 1.124 5.870
330 H ARG 46 H ARG 46 -8.619 3.066 9.066
331 HA ARG 46 HA ARG 46 -6.809 5.099 9.978
332 HB2 ARG 46 2HB ARG 46 -9.560 4.220 10.912
333 HB3 ARG 46 3HB ARG 46 -8.711 5.602 11.607
334 HG2 ARG 46 2HG ARG 46 -8.610 6.701 9.446
335 HG3 ARG 46 3HG ARG 46 -9.283 5.282 8.645
336 HD2 ARG 46 2HD ARG 46 -10.893 7.223 9.137
337 HD3 ARG 46 3HD ARG 46 -11.426 5.611 9.603
338 HE ARG 46 HE ARG 46 -10.266 6.488 11.921
339 HH11 ARG 46 1HH2 ARG 46 -12.343 8.067 9.670
340 HH12 ARG 46 2HH2 ARG 46 -13.325 8.808 10.885
341 HH21 ARG 46 1HH1 ARG 46 -11.562 7.452 13.541
342 HH22 ARG 46 2HH1 ARG 46 -12.890 8.456 13.065
343 H ASN 47 H ASN 47 -8.051 2.135 11.452
344 HA ASN 47 HA ASN 47 -6.798 2.477 14.005
345 HB2 ASN 47 2HB ASN 47 -7.377 -0.125 12.552
346 HB3 ASN 47 3HB ASN 47 -7.066 0.052 14.281
347 HD21 ASN 47 1HD2 ASN 47 -9.585 -0.510 12.326
348 HD22 ASN 47 2HD2 ASN 47 -10.809 0.362 13.116
349 H TRP 48 H TRP 48 -5.637 1.114 10.941
350 HA TRP 48 HA TRP 48 -3.065 0.296 12.113
351 HB2 TRP 48 2HB TRP 48 -3.990 0.482 9.225
352 HB3 TRP 48 3HB TRP 48 -2.475 -0.246 9.764
353 HD1 TRP 48 HD1 TRP 48 -6.278 -0.701 10.094
354 HE1 TRP 48 HE1 TRP 48 -6.762 -3.167 10.666
355 HE3 TRP 48 HE3 TRP 48 -1.506 -2.434 10.667
356 HZ2 TRP 48 HZ2 TRP 48 -5.320 -5.556 11.284
357 HZ3 TRP 48 HZ3 TRP 48 -1.093 -4.806 11.247
358 HH2 TRP 48 HH2 TRP 48 -2.991 -6.370 11.554
359 H GLY 49 H GLY 49 -3.972 3.170 12.213
360 HA2 GLY 49 2HA GLY 49 -2.997 5.295 11.953
361 HA3 GLY 49 3HA GLY 49 -1.467 4.427 11.820
362 H HIS 50 H HIS 50 -3.959 6.068 10.060
363 HA HIS 50 HA HIS 50 -3.640 5.191 7.432
364 HB2 HIS 50 2HB HIS 50 -4.226 7.494 6.741
365 HB3 HIS 50 3HB HIS 50 -5.237 6.946 8.080
366 HD1 HIS 50 HD1 HIS 50 -4.420 7.770 10.532
367 HD2 HIS 50 HD2 HIS 50 -2.789 9.811 7.284
368 HE1 HIS 50 HE1 HIS 50 -3.436 9.915 11.454
369 H GLY 51 H GLY 51 -1.364 7.062 9.355
370 HA2 GLY 51 2HA GLY 51 0.407 7.524 6.989
371 HA3 GLY 51 3HA GLY 51 0.628 8.209 8.602
372 H ARG 52 H ARG 52 0.673 6.206 10.310
373 HA ARG 52 HA ARG 52 3.187 4.917 9.895
374 HB2 ARG 52 2HB ARG 52 0.931 4.244 11.793
375 HB3 ARG 52 3HB ARG 52 2.557 3.570 11.906
376 HG2 ARG 52 2HG ARG 52 3.502 5.798 12.245
377 HG3 ARG 52 3HG ARG 52 1.922 6.539 11.998
378 HD2 ARG 52 2HD ARG 52 2.095 6.473 14.348
379 HD3 ARG 52 3HD ARG 52 1.162 5.026 13.995
380 HE ARG 52 HE ARG 52 4.098 4.662 14.186
381 HH11 ARG 52 1HH2 ARG 52 0.950 4.368 15.583
382 HH12 ARG 52 2HH2 ARG 52 1.498 3.503 16.974
383 HH21 ARG 52 1HH1 ARG 52 4.830 3.529 16.048
384 HH22 ARG 52 2HH1 ARG 52 3.674 3.036 17.240
385 H LEU 53 H LEU 53 0.391 4.309 8.271
386 HA LEU 53 HA LEU 53 0.110 1.472 8.366
387 HB2 LEU 53 2HB LEU 53 -1.543 2.928 7.267
388 HB3 LEU 53 3HB LEU 53 -0.347 3.410 6.073
389 HG LEU 53 HG LEU 53 -0.248 1.100 5.217
390 HD11 LEU 53 1HD1 LEU 53 -2.138 -0.470 6.072
391 HD12 LEU 53 2HD1 LEU 53 -2.154 0.559 7.503
392 HD13 LEU 53 3HD1 LEU 53 -0.691 -0.322 7.062
393 HD21 LEU 53 3HD2 LEU 53 -1.932 2.737 4.359
394 HD22 LEU 53 1HD2 LEU 53 -3.104 2.082 5.502
395 HD23 LEU 53 2HD2 LEU 53 -2.474 1.066 4.206
396 H SER 54 H SER 54 2.169 3.605 6.399
397 HA SER 54 HA SER 54 3.353 1.536 4.819
398 HB2 SER 54 2HB SER 54 3.550 3.978 4.322
399 HB3 SER 54 3HB SER 54 4.633 4.143 5.702
400 HG SER 54 HG SER 54 5.469 2.095 4.246
401 H GLN 55 H GLN 55 3.916 2.583 8.116
402 HA GLN 55 HA GLN 55 6.501 1.173 8.320
403 HB2 GLN 55 2HB GLN 55 6.034 3.245 9.606
404 HB3 GLN 55 3HB GLN 55 4.759 2.398 10.481
405 HG2 GLN 55 2HG GLN 55 6.359 0.839 11.428
406 HG3 GLN 55 3HG GLN 55 7.655 1.494 10.426
407 HE21 GLN 55 1HE2 GLN 55 7.779 1.480 13.324
408 HE22 GLN 55 2HE2 GLN 55 7.760 3.094 13.848
409 H MET 56 H MET 56 3.106 0.590 9.234
410 HA MET 56 HA MET 56 3.623 -1.723 10.861
411 HB2 MET 56 2HB MET 56 1.179 -0.866 9.276
412 HB3 MET 56 3HB MET 56 1.193 -2.256 10.362
413 HG2 MET 56 2HG MET 56 1.799 -0.820 12.248
414 HG3 MET 56 3HG MET 56 1.881 0.582 11.181
415 HE1 MET 56 3HE MET 56 -0.079 2.156 12.300
416 HE2 MET 56 1HE MET 56 0.529 1.000 13.492
417 HE3 MET 56 2HE MET 56 -1.203 1.290 13.341
418 H VAL 57 H VAL 57 2.869 -1.372 7.386
419 HA VAL 57 HA VAL 57 2.802 -4.163 6.803
420 HB VAL 57 HB VAL 57 3.256 -3.447 4.449
421 HG11 VAL 57 1HG1 VAL 57 0.967 -3.390 5.276
422 HG12 VAL 57 2HG1 VAL 57 1.242 -1.974 4.262
423 HG13 VAL 57 3HG1 VAL 57 1.240 -1.813 6.018
424 HG21 VAL 57 3HG2 VAL 57 3.413 -0.962 4.064
425 HG22 VAL 57 1HG2 VAL 57 4.829 -1.636 4.862
426 HG23 VAL 57 2HG2 VAL 57 3.625 -0.752 5.791
427 H LYS 58 H LYS 58 5.421 -2.026 7.482
428 HA LYS 58 HA LYS 58 7.497 -3.483 6.093
429 HB2 LYS 58 2HB LYS 58 7.688 -1.101 6.940
430 HB3 LYS 58 3HB LYS 58 7.812 -1.757 8.571
431 HG2 LYS 58 2HG LYS 58 9.818 -3.009 7.965
432 HG3 LYS 58 3HG LYS 58 9.671 -2.489 6.286
433 HD2 LYS 58 2HD LYS 58 9.938 -0.136 6.990
434 HD3 LYS 58 3HD LYS 58 10.106 -0.662 8.666
435 HE2 LYS 58 2HE LYS 58 12.324 -0.301 7.709
436 HE3 LYS 58 3HE LYS 58 12.088 -2.024 8.002
437 HZ1 LYS 58 3HZ LYS 58 11.962 -2.482 5.801
438 HZ2 LYS 58 1HZ LYS 58 12.959 -1.113 5.707
439 HZ3 LYS 58 2HZ LYS 58 11.294 -0.972 5.396
440 H LYS 59 H LYS 59 5.739 -4.039 9.016
441 HA LYS 59 HA LYS 59 7.786 -5.806 10.206
442 HB2 LYS 59 2HB LYS 59 6.118 -4.311 11.501
443 HB3 LYS 59 3HB LYS 59 4.890 -5.507 11.091
444 HG2 LYS 59 2HG LYS 59 6.156 -7.258 12.240
445 HG3 LYS 59 3HG LYS 59 7.484 -6.141 12.548
446 HD2 LYS 59 2HD LYS 59 5.990 -4.738 13.914
447 HD3 LYS 59 3HD LYS 59 4.658 -5.853 13.606
448 HE2 LYS 59 2HE LYS 59 5.684 -6.339 15.787
449 HE3 LYS 59 3HE LYS 59 5.962 -7.679 14.671
450 HZ1 LYS 59 3HZ LYS 59 8.120 -7.414 14.987
451 HZ2 LYS 59 1HZ LYS 59 7.852 -6.078 15.998
452 HZ3 LYS 59 2HZ LYS 59 8.031 -5.852 14.323
453 H LEU 60 H LEU 60 5.686 -6.146 7.669
454 HA LEU 60 HA LEU 60 4.728 -8.869 8.306
455 HB2 LEU 60 2HB LEU 60 4.599 -7.243 5.746
456 HB3 LEU 60 3HB LEU 60 3.794 -8.788 6.007
457 HG LEU 60 HG LEU 60 3.314 -6.317 7.710
458 HD11 LEU 60 1HD1 LEU 60 1.231 -6.027 6.476
459 HD12 LEU 60 2HD1 LEU 60 1.565 -7.464 5.509
460 HD13 LEU 60 3HD1 LEU 60 2.577 -6.031 5.337
461 HD21 LEU 60 3HD2 LEU 60 2.621 -8.125 9.045
462 HD22 LEU 60 1HD2 LEU 60 2.137 -9.103 7.663
463 HD23 LEU 60 2HD2 LEU 60 1.136 -7.753 8.184
464 H ASP 61 H ASP 61 7.622 -7.539 7.277
465 HA ASP 61 HA ASP 61 9.564 -8.429 6.350
466 HB2 ASP 61 2HB ASP 61 8.334 -11.147 6.881
467 HB3 ASP 61 3HB ASP 61 10.045 -10.708 6.861
468 H PHE 62 H PHE 62 7.064 -10.804 5.227
469 HA PHE 62 HA PHE 62 8.312 -11.138 2.706
470 HB2 PHE 62 2HB PHE 62 6.237 -12.237 1.968
471 HB3 PHE 62 3HB PHE 62 6.762 -12.812 3.547
472 HD1 PHE 62 HD2 PHE 62 4.256 -10.795 1.731
473 HD2 PHE 62 HD1 PHE 62 5.521 -12.242 5.575
474 HE1 PHE 62 HE2 PHE 62 2.074 -10.133 2.703
475 HE2 PHE 62 HE1 PHE 62 3.337 -11.585 6.541
476 HZ PHE 62 HZ PHE 62 1.615 -10.525 5.106
477 H LEU 63 H LEU 63 7.523 -8.273 3.516
478 HA LEU 63 HA LEU 63 6.515 -7.506 0.804
479 HB2 LEU 63 2HB LEU 63 5.363 -6.755 3.493
480 HB3 LEU 63 3HB LEU 63 5.290 -5.569 2.194
481 HG LEU 63 HG LEU 63 4.325 -8.400 1.670
482 HD11 LEU 63 1HD1 LEU 63 2.682 -6.194 2.954
483 HD12 LEU 63 2HD1 LEU 63 3.166 -7.701 3.733
484 HD13 LEU 63 3HD1 LEU 63 2.054 -7.733 2.367
485 HD21 LEU 63 3HD2 LEU 63 4.479 -6.828 -0.232
486 HD22 LEU 63 1HD2 LEU 63 3.486 -5.663 0.642
487 HD23 LEU 63 2HD2 LEU 63 2.791 -7.195 0.126
488 H THR 64 H THR 64 7.788 -6.010 -0.089
489 HA THR 64 HA THR 64 9.978 -4.760 1.477
490 HB THR 64 HB THR 64 9.332 -4.596 -1.491
491 HG1 THR 64 HG1 THR 64 10.639 -6.307 -1.732
492 HG21 THR 64 3HG2 THR 64 11.825 -3.936 0.102
493 HG22 THR 64 1HG2 THR 64 10.804 -2.798 -0.774
494 HG23 THR 64 2HG2 THR 64 11.754 -3.989 -1.659
495 H VAL 65 H VAL 65 10.065 -2.535 1.869
496 HA VAL 65 HA VAL 65 7.687 -0.881 1.020
497 HB VAL 65 HB VAL 65 9.359 -0.704 3.550
498 HG11 VAL 65 1HG1 VAL 65 6.965 0.874 2.556
499 HG12 VAL 65 2HG1 VAL 65 8.569 1.498 2.944
500 HG13 VAL 65 3HG1 VAL 65 7.522 0.904 4.231
501 HG21 VAL 65 3HG2 VAL 65 7.202 -1.410 4.633
502 HG22 VAL 65 1HG2 VAL 65 7.916 -2.656 3.612
503 HG23 VAL 65 2HG2 VAL 65 6.548 -1.713 3.027
504 H GLN 66 H GLN 66 8.176 0.930 -0.102
505 HA GLN 66 HA GLN 66 10.900 2.143 0.103
506 HB2 GLN 66 2HB GLN 66 9.542 1.289 -2.479
507 HB3 GLN 66 3HB GLN 66 10.945 2.353 -2.404
508 HG2 GLN 66 2HG GLN 66 12.213 0.571 -1.223
509 HG3 GLN 66 3HG GLN 66 10.814 -0.490 -1.363
510 HE21 GLN 66 1HE2 GLN 66 12.787 -1.697 -2.593
511 HE22 GLN 66 2HE2 GLN 66 12.823 -1.436 -4.271
512 H GLU 67 H GLU 67 10.886 4.379 -0.472
513 HA GLU 67 HA GLU 67 8.153 5.640 -0.472
514 HB2 GLU 67 2HB GLU 67 10.863 6.679 0.426
515 HB3 GLU 67 3HB GLU 67 9.390 7.650 0.382
516 HG2 GLU 67 2HG GLU 67 8.298 6.130 1.953
517 HG3 GLU 67 3HG GLU 67 9.707 5.072 1.946
518 H SER 68 H SER 68 7.556 6.447 -2.412
519 HA SER 68 HA SER 68 9.603 6.978 -4.501
520 HB2 SER 68 2HB SER 68 6.582 6.801 -4.499
521 HB3 SER 68 3HB SER 68 7.478 7.396 -5.897
522 HG SER 68 HG SER 68 8.297 5.009 -4.688
523 H ARG 69 H ARG 69 9.762 9.035 -5.499
524 HA ARG 69 HA ARG 69 9.096 11.305 -3.705
525 HB2 ARG 69 2HB ARG 69 10.762 11.136 -6.245
526 HB3 ARG 69 3HB ARG 69 10.650 12.549 -5.187
527 HG2 ARG 69 2HG ARG 69 11.529 11.264 -3.313
528 HG3 ARG 69 3HG ARG 69 11.567 9.799 -4.282
529 HD2 ARG 69 2HD ARG 69 13.421 12.144 -4.305
530 HD3 ARG 69 3HD ARG 69 13.760 10.437 -4.427
531 HE ARG 69 HE ARG 69 12.480 11.732 -6.790
532 HH11 ARG 69 1HH2 ARG 69 15.009 9.934 -5.456
533 HH12 ARG 69 2HH2 ARG 69 16.219 10.419 -6.581
534 HH21 ARG 69 1HH1 ARG 69 14.073 12.471 -8.386
535 HH22 ARG 69 2HH1 ARG 69 15.691 11.872 -8.245
536 H ASN 70 H ASN 70 7.134 12.238 -4.033
537 HA ASN 70 HA ASN 70 6.305 12.944 -6.802
538 HB2 ASN 70 2HB ASN 70 4.686 11.212 -4.906
539 HB3 ASN 70 3HB ASN 70 3.992 12.009 -6.318
540 HD21 ASN 70 1HD2 ASN 70 4.802 9.026 -5.511
541 HD22 ASN 70 2HD2 ASN 70 5.527 8.465 -6.940
542 H GLY 71 H GLY 71 5.830 15.076 -6.665
543 HA2 GLY 71 2HA GLY 71 5.028 17.118 -5.820
544 HA3 GLY 71 3HA GLY 71 3.792 16.144 -5.021
545 H SER 72 H SER 72 4.222 17.990 -3.391
546 HA SER 72 HA SER 72 6.668 17.808 -1.796
547 HB2 SER 72 2HB SER 72 4.025 19.197 -1.248
548 HB3 SER 72 3HB SER 72 5.501 19.409 -0.307
549 HG SER 72 HG SER 72 4.768 20.565 -2.617
550 H LYS 73 H LYS 73 4.960 15.350 -2.102
551 HA LYS 73 HA LYS 73 4.763 14.703 0.809
552 HB2 LYS 73 2HB LYS 73 2.489 15.413 0.019
553 HB3 LYS 73 3HB LYS 73 2.539 14.113 -1.171
554 HG2 LYS 73 2HG LYS 73 2.745 12.447 0.614
555 HG3 LYS 73 3HG LYS 73 2.788 13.727 1.828
556 HD2 LYS 73 2HD LYS 73 0.528 14.452 1.144
557 HD3 LYS 73 3HD LYS 73 0.478 13.159 -0.055
558 HE2 LYS 73 2HE LYS 73 0.716 11.478 1.727
559 HE3 LYS 73 3HE LYS 73 0.793 12.761 2.935
560 HZ1 LYS 73 3HZ LYS 73 -1.492 12.237 1.114
561 HZ2 LYS 73 1HZ LYS 73 -1.420 13.466 2.280
562 HZ3 LYS 73 2HZ LYS 73 -1.430 11.836 2.764
563 H LEU 74 H LEU 74 5.964 12.929 1.060
564 HA LEU 74 HA LEU 74 6.825 11.281 -1.152
565 HB2 LEU 74 2HB LEU 74 6.948 10.913 1.856
566 HB3 LEU 74 3HB LEU 74 7.661 9.760 0.732
567 HG LEU 74 HG LEU 74 8.386 12.712 0.645
568 HD11 LEU 74 1HD1 LEU 74 10.386 12.124 1.999
569 HD12 LEU 74 2HD1 LEU 74 9.726 10.509 2.250
570 HD13 LEU 74 3HD1 LEU 74 8.891 11.916 2.912
571 HD21 LEU 74 3HD2 LEU 74 10.538 11.706 -0.312
572 HD22 LEU 74 1HD2 LEU 74 9.119 11.505 -1.328
573 HD23 LEU 74 2HD2 LEU 74 9.704 10.156 -0.364
574 H HIS 75 H HIS 75 5.854 9.486 -1.997
575 HA HIS 75 HA HIS 75 3.247 8.596 -0.806
576 HB2 HIS 75 2HB HIS 75 4.474 8.203 -3.558
577 HB3 HIS 75 3HB HIS 75 2.912 7.552 -3.058
578 HD1 HIS 75 HD1 HIS 75 2.576 9.401 -5.307
579 HD2 HIS 75 HD2 HIS 75 2.896 10.872 -1.418
580 HE1 HIS 75 HE1 HIS 75 1.560 11.724 -5.329
581 H SER 76 H SER 76 3.337 6.782 0.403
582 HA SER 76 HA SER 76 5.655 5.047 0.447
583 HB2 SER 76 2HB SER 76 4.405 5.229 2.476
584 HB3 SER 76 3HB SER 76 2.890 4.879 1.657
585 HG SER 76 HG SER 76 5.037 3.044 1.667
586 H GLU 77 H GLU 77 5.779 2.878 -0.305
587 HA GLU 77 HA GLU 77 3.601 1.891 -2.104
588 HB2 GLU 77 2HB GLU 77 6.525 2.192 -2.877
589 HB3 GLU 77 3HB GLU 77 5.341 1.267 -3.799
590 HG2 GLU 77 2HG GLU 77 3.981 3.305 -4.093
591 HG3 GLU 77 3HG GLU 77 5.171 4.231 -3.183
592 H ILE 78 H ILE 78 3.587 -0.392 -2.261
593 HA ILE 78 HA ILE 78 5.571 -1.900 -0.574
594 HB ILE 78 HB ILE 78 3.604 -3.304 0.191
595 HG12 ILE 78 2HG1 ILE 78 1.973 -0.939 -0.809
596 HG13 ILE 78 3HG1 ILE 78 2.069 -2.474 -1.661
597 HG21 ILE 78 1HG2 ILE 78 2.881 -1.688 1.900
598 HG22 ILE 78 2HG2 ILE 78 3.542 -0.365 0.943
599 HG23 ILE 78 3HG2 ILE 78 4.618 -1.574 1.636
600 HD11 ILE 78 3HD1 ILE 78 0.999 -2.017 1.133
601 HD12 ILE 78 1HD1 ILE 78 1.244 -3.613 0.425
602 HD13 ILE 78 2HD1 ILE 78 0.078 -2.500 -0.290
603 H ARG 79 H ARG 79 6.010 -3.997 -1.325
604 HA ARG 79 HA ARG 79 4.500 -5.152 -3.567
605 HB2 ARG 79 2HB ARG 79 6.049 -3.498 -4.664
606 HB3 ARG 79 3HB ARG 79 7.411 -4.391 -3.990
607 HG2 ARG 79 2HG ARG 79 6.674 -6.426 -5.185
608 HG3 ARG 79 3HG ARG 79 5.315 -5.541 -5.874
609 HD2 ARG 79 2HD ARG 79 7.135 -3.881 -6.757
610 HD3 ARG 79 3HD ARG 79 8.263 -5.184 -6.398
611 HE ARG 79 HE ARG 79 5.922 -5.854 -8.115
612 HH11 ARG 79 1HH2 ARG 79 9.314 -5.303 -7.753
613 HH12 ARG 79 2HH2 ARG 79 9.686 -5.675 -9.397
614 HH21 ARG 79 1HH1 ARG 79 6.406 -6.291 -10.304
615 HH22 ARG 79 2HH1 ARG 79 8.055 -6.228 -10.833
616 H LEU 80 H LEU 80 5.152 -7.358 -3.923
617 HA LEU 80 HA LEU 80 6.051 -8.692 -1.544
618 HB2 LEU 80 2HB LEU 80 5.965 -9.774 -4.377
619 HB3 LEU 80 3HB LEU 80 5.951 -10.719 -2.889
620 HG LEU 80 HG LEU 80 3.799 -8.738 -3.714
621 HD11 LEU 80 1HD1 LEU 80 3.778 -11.770 -3.682
622 HD12 LEU 80 2HD1 LEU 80 3.888 -10.769 -5.130
623 HD13 LEU 80 3HD1 LEU 80 2.429 -10.727 -4.138
624 HD21 LEU 80 3HD2 LEU 80 2.554 -10.053 -1.823
625 HD22 LEU 80 1HD2 LEU 80 3.727 -8.837 -1.340
626 HD23 LEU 80 2HD2 LEU 80 4.165 -10.543 -1.303
627 H ARG 81 H ARG 81 8.087 -9.354 -0.964
628 HA ARG 81 HA ARG 81 10.360 -8.123 -2.210
629 HB2 ARG 81 2HB ARG 81 11.681 -9.564 -0.652
630 HB3 ARG 81 3HB ARG 81 10.385 -8.698 0.165
631 HG2 ARG 81 2HG ARG 81 8.965 -10.676 0.123
632 HG3 ARG 81 3HG ARG 81 10.159 -11.572 -0.805
633 HD2 ARG 81 2HD ARG 81 10.823 -10.401 1.900
634 HD3 ARG 81 3HD ARG 81 10.117 -12.002 1.726
635 HE ARG 81 HE ARG 81 12.274 -12.135 0.035
636 HH11 ARG 81 1HH2 ARG 81 11.779 -11.080 3.288
637 HH12 ARG 81 2HH2 ARG 81 13.286 -11.701 3.868
638 HH21 ARG 81 1HH1 ARG 81 14.242 -13.005 0.800
639 HH22 ARG 81 2HH1 ARG 81 14.673 -12.791 2.464
640 H HIS 82 H HIS 82 8.742 -11.172 -2.718
641 HA HIS 82 HA HIS 82 10.912 -12.583 -3.957
642 HB2 HIS 82 2HB HIS 82 7.905 -12.817 -4.320
643 HB3 HIS 82 3HB HIS 82 9.066 -13.944 -5.020
644 HD1 HIS 82 HD1 HIS 82 7.746 -12.758 -1.689
645 HD2 HIS 82 HD2 HIS 82 10.171 -15.786 -3.203
646 HE1 HIS 82 HE1 HIS 82 8.137 -14.377 0.215
647 H ASP 83 H ASP 83 8.373 -10.466 -5.292
648 HA ASP 83 HA ASP 83 9.535 -10.688 -8.013
649 HB2 ASP 83 2HB ASP 83 7.041 -10.622 -7.552
650 HB3 ASP 83 3HB ASP 83 7.240 -8.941 -7.058
651 H GLY 84 H GLY 84 11.318 -9.433 -8.387
652 HA2 GLY 84 2HA GLY 84 11.422 -6.697 -8.574
653 HA3 GLY 84 3HA GLY 84 11.799 -6.961 -6.869
654 H LEU 85 H LEU 85 12.836 -9.653 -8.451
655 HA LEU 85 HA LEU 85 14.982 -10.473 -8.909
656 HB2 LEU 85 2HB LEU 85 15.421 -7.718 -10.094
657 HB3 LEU 85 3HB LEU 85 16.242 -9.213 -10.535
658 HG LEU 85 HG LEU 85 13.283 -8.642 -10.918
659 HD11 LEU 85 1HD1 LEU 85 13.870 -8.652 -13.325
660 HD12 LEU 85 2HD1 LEU 85 15.570 -8.858 -12.901
661 HD13 LEU 85 3HD1 LEU 85 14.722 -7.378 -12.453
662 HD21 LEU 85 3HD2 LEU 85 14.995 -11.088 -11.456
663 HD22 LEU 85 1HD2 LEU 85 13.509 -10.796 -12.363
664 HD23 LEU 85 2HD2 LEU 85 13.447 -10.999 -10.616
665 H GLU 86 H GLU 86 15.963 -10.708 -6.925
666 HA GLU 86 HA GLU 86 16.755 -8.609 -5.179
667 HB2 GLU 86 2HB GLU 86 17.815 -11.437 -5.483
668 HB3 GLU 86 3HB GLU 86 18.230 -10.368 -4.141
669 HG2 GLU 86 2HG GLU 86 15.872 -10.197 -3.504
670 HG3 GLU 86 3HG GLU 86 15.405 -11.184 -4.886
671 H HIS 87 H HIS 87 18.616 -7.413 -5.006
672 HA HIS 87 HA HIS 87 21.076 -8.066 -6.408
673 HB2 HIS 87 2HB HIS 87 19.713 -7.253 -8.313
674 HB3 HIS 87 3HB HIS 87 19.408 -5.750 -7.444
675 HD1 HIS 87 HD1 HIS 87 21.309 -4.029 -7.317
676 HD2 HIS 87 HD2 HIS 87 22.413 -7.540 -9.268
677 HE1 HIS 87 HE1 HIS 87 23.543 -3.564 -8.412
678 H HIS 88 H HIS 88 22.529 -7.355 -4.911
679 HA HIS 88 HA HIS 88 21.840 -5.263 -2.985
680 HB2 HIS 88 2HB HIS 88 23.276 -7.218 -2.401
681 HB3 HIS 88 3HB HIS 88 24.514 -6.607 -3.498
682 HD1 HIS 88 HD1 HIS 88 22.514 -5.348 -0.494
683 HD2 HIS 88 HD2 HIS 88 26.262 -4.867 -2.253
684 HE1 HIS 88 HE1 HIS 88 23.837 -3.831 1.043
685 H HIS 89 H HIS 89 22.279 -3.111 -3.191
686 HA HIS 89 HA HIS 89 23.347 -2.069 -5.674
687 HB2 HIS 89 2HB HIS 89 23.200 0.148 -4.470
688 HB3 HIS 89 3HB HIS 89 21.694 -0.768 -4.484
689 HD1 HIS 89 HD1 HIS 89 24.597 0.084 -2.202
690 HD2 HIS 89 HD2 HIS 89 20.760 -1.524 -1.957
691 HE1 HIS 89 HE1 HIS 89 24.046 -0.087 0.268
692 H HIS 90 H HIS 90 25.411 -1.437 -6.145
693 HA HIS 90 HA HIS 90 27.562 -2.193 -4.315
694 HB2 HIS 90 2HB HIS 90 27.702 -2.448 -6.803
695 HB3 HIS 90 3HB HIS 90 27.712 -0.693 -6.950
696 HD1 HIS 90 HD1 HIS 90 29.869 0.556 -6.274
697 HD2 HIS 90 HD2 HIS 90 30.107 -3.569 -5.716
698 HE1 HIS 90 HE1 HIS 90 32.311 0.027 -5.856
699 H HIS 91 H HIS 91 26.108 -0.342 -2.962
700 HA HIS 91 HA HIS 91 26.216 1.740 -1.877
701 HB2 HIS 91 2HB HIS 91 29.131 1.363 -2.624
702 HB3 HIS 91 3HB HIS 91 28.539 2.552 -1.465
703 HD1 HIS 91 HD1 HIS 91 30.358 0.703 -0.150
704 HD2 HIS 91 HD2 HIS 91 26.376 -0.373 -0.755
705 HE1 HIS 91 HE1 HIS 91 29.854 -1.146 1.509
706 H HIS 92 H HIS 92 27.424 4.070 -2.223
707 HA HIS 92 HA HIS 92 27.772 4.883 -4.983
708 HB2 HIS 92 2HB HIS 92 25.737 6.297 -5.128
709 HB3 HIS 92 3HB HIS 92 25.332 4.583 -5.018
710 HD1 HIS 92 HD1 HIS 92 24.306 3.731 -2.786
711 HD2 HIS 92 HD2 HIS 92 25.015 7.837 -2.848
712 HE1 HIS 92 HE1 HIS 92 23.092 4.697 -0.781
Start of MODEL 5
1 H1 MET 1 1H MET 1 -5.293 -7.592 17.359
2 H2 MET 1 2H MET 1 -5.174 -6.030 18.019
3 H3 MET 1 3H MET 1 -3.835 -7.076 18.053
4 HA MET 1 HA MET 1 -4.860 -5.418 15.912
5 HB2 MET 1 2HB MET 1 -2.428 -5.798 17.309
6 HB3 MET 1 3HB MET 1 -2.091 -6.445 15.712
7 HG2 MET 1 2HG MET 1 -2.914 -4.313 14.708
8 HG3 MET 1 3HG MET 1 -3.159 -3.672 16.330
9 HE1 MET 1 3HE MET 1 -1.115 -3.980 18.182
10 HE2 MET 1 1HE MET 1 -1.512 -2.377 17.547
11 HE3 MET 1 2HE MET 1 0.170 -2.860 17.736
12 HA PRO 2 HA PRO 2 -3.598 -9.502 13.550
13 HB2 PRO 2 2HB PRO 2 -4.258 -11.575 15.615
14 HB3 PRO 2 3HB PRO 2 -2.855 -11.485 14.528
15 HG2 PRO 2 2HG PRO 2 -2.592 -10.975 17.136
16 HG3 PRO 2 3HG PRO 2 -1.696 -10.028 15.930
17 HD2 PRO 2 2HD PRO 2 -4.227 -9.275 17.407
18 HD3 PRO 2 3HD PRO 2 -2.772 -8.296 17.095
19 H HIS 3 H HIS 3 -6.241 -8.426 15.123
20 HA HIS 3 HA HIS 3 -8.228 -10.429 14.562
21 HB2 HIS 3 2HB HIS 3 -8.480 -7.425 14.903
22 HB3 HIS 3 3HB HIS 3 -9.846 -8.539 14.834
23 HD1 HIS 3 HD1 HIS 3 -9.717 -10.545 16.721
24 HD2 HIS 3 HD2 HIS 3 -7.458 -7.119 17.455
25 HE1 HIS 3 HE1 HIS 3 -9.151 -10.573 19.191
26 H LYS 4 H LYS 4 -6.899 -7.744 12.694
27 HA LYS 4 HA LYS 4 -8.833 -7.914 10.546
28 HB2 LYS 4 2HB LYS 4 -6.000 -6.845 10.362
29 HB3 LYS 4 3HB LYS 4 -7.381 -6.402 9.363
30 HG2 LYS 4 2HG LYS 4 -7.156 -5.862 12.342
31 HG3 LYS 4 3HG LYS 4 -6.849 -4.676 11.080
32 HD2 LYS 4 2HD LYS 4 -9.211 -5.009 10.279
33 HD3 LYS 4 3HD LYS 4 -9.489 -6.050 11.673
34 HE2 LYS 4 2HE LYS 4 -8.930 -4.229 13.201
35 HE3 LYS 4 3HE LYS 4 -8.593 -3.168 11.834
36 HZ1 LYS 4 3HZ LYS 4 -10.734 -2.690 11.697
37 HZ2 LYS 4 1HZ LYS 4 -11.052 -3.668 13.046
38 HZ3 LYS 4 2HZ LYS 4 -11.123 -4.329 11.483
39 H GLU 5 H GLU 5 -7.807 -10.518 11.212
40 HA GLU 5 HA GLU 5 -5.886 -11.305 9.154
41 HB2 GLU 5 2HB GLU 5 -6.094 -12.517 11.320
42 HB3 GLU 5 3HB GLU 5 -7.721 -13.018 10.863
43 HG2 GLU 5 2HG GLU 5 -6.837 -14.227 8.922
44 HG3 GLU 5 3HG GLU 5 -5.208 -13.662 9.286
45 H LYS 6 H LYS 6 -9.088 -12.755 9.666
46 HA LYS 6 HA LYS 6 -10.682 -13.468 8.098
47 HB2 LYS 6 2HB LYS 6 -9.910 -10.757 6.975
48 HB3 LYS 6 3HB LYS 6 -11.299 -11.698 6.429
49 HG2 LYS 6 2HG LYS 6 -12.297 -11.618 8.641
50 HG3 LYS 6 3HG LYS 6 -10.857 -10.852 9.305
51 HD2 LYS 6 2HD LYS 6 -12.513 -9.123 8.943
52 HD3 LYS 6 3HD LYS 6 -11.231 -8.912 7.754
53 HE2 LYS 6 2HE LYS 6 -12.579 -9.788 5.993
54 HE3 LYS 6 3HE LYS 6 -13.741 -10.494 7.118
55 HZ1 LYS 6 3HZ LYS 6 -14.660 -8.508 6.214
56 HZ2 LYS 6 1HZ LYS 6 -13.273 -7.611 6.600
57 HZ3 LYS 6 2HZ LYS 6 -14.272 -8.204 7.840
58 H HIS 7 H HIS 7 -9.603 -11.841 5.333
59 HA HIS 7 HA HIS 7 -8.962 -14.319 3.998
60 HB2 HIS 7 2HB HIS 7 -8.763 -11.417 3.152
61 HB3 HIS 7 3HB HIS 7 -8.414 -12.759 2.067
62 HD1 HIS 7 HD1 HIS 7 -11.255 -11.233 4.050
63 HD2 HIS 7 HD2 HIS 7 -10.684 -14.080 1.058
64 HE1 HIS 7 HE1 HIS 7 -13.559 -11.850 3.199
65 HA PRO 8 HA PRO 8 -4.568 -14.672 4.738
66 HB2 PRO 8 2HB PRO 8 -4.114 -14.619 1.762
67 HB3 PRO 8 3HB PRO 8 -3.559 -15.805 2.961
68 HG2 PRO 8 2HG PRO 8 -5.629 -16.284 1.268
69 HG3 PRO 8 3HG PRO 8 -5.525 -16.997 2.886
70 HD2 PRO 8 2HD PRO 8 -7.351 -14.861 1.912
71 HD3 PRO 8 3HD PRO 8 -7.516 -15.940 3.312
72 H LEU 9 H LEU 9 -3.023 -13.128 5.168
73 HA LEU 9 HA LEU 9 -3.387 -10.398 4.369
74 HB2 LEU 9 2HB LEU 9 -0.966 -11.827 5.509
75 HB3 LEU 9 3HB LEU 9 -1.102 -10.076 5.368
76 HG LEU 9 HG LEU 9 -3.058 -11.803 6.922
77 HD11 LEU 9 1HD1 LEU 9 -0.720 -10.157 7.936
78 HD12 LEU 9 2HD1 LEU 9 -0.799 -11.920 7.907
79 HD13 LEU 9 3HD1 LEU 9 -1.893 -11.003 8.945
80 HD21 LEU 9 3HD2 LEU 9 -2.706 -8.811 6.564
81 HD22 LEU 9 1HD2 LEU 9 -3.450 -9.449 8.028
82 HD23 LEU 9 2HD2 LEU 9 -4.179 -9.769 6.464
83 H GLN 10 H GLN 10 -1.164 -12.939 3.240
84 HA GLN 10 HA GLN 10 0.328 -11.336 1.425
85 HB2 GLN 10 2HB GLN 10 0.933 -13.660 2.081
86 HB3 GLN 10 3HB GLN 10 -0.432 -14.263 1.142
87 HG2 GLN 10 2HG GLN 10 0.525 -13.394 -0.914
88 HG3 GLN 10 3HG GLN 10 1.815 -12.600 -0.020
89 HE21 GLN 10 1HE2 GLN 10 2.461 -14.469 -2.036
90 HE22 GLN 10 2HE2 GLN 10 3.119 -15.856 -1.313
91 H ASP 11 H ASP 11 -2.609 -13.287 0.881
92 HA ASP 11 HA ASP 11 -2.891 -12.548 -1.879
93 HB2 ASP 11 2HB ASP 11 -4.027 -14.498 -0.713
94 HB3 ASP 11 3HB ASP 11 -5.129 -13.331 0.017
95 H MET 12 H MET 12 -4.036 -11.109 1.142
96 HA MET 12 HA MET 12 -5.881 -9.257 0.013
97 HB2 MET 12 2HB MET 12 -5.728 -9.786 2.431
98 HB3 MET 12 3HB MET 12 -4.177 -8.953 2.501
99 HG2 MET 12 2HG MET 12 -5.227 -6.842 1.885
100 HG3 MET 12 3HG MET 12 -6.777 -7.649 1.640
101 HE1 MET 12 3HE MET 12 -7.467 -5.564 4.802
102 HE2 MET 12 1HE MET 12 -8.139 -6.156 3.276
103 HE3 MET 12 2HE MET 12 -6.664 -5.193 3.278
104 H PHE 13 H PHE 13 -2.421 -8.770 0.893
105 HA PHE 13 HA PHE 13 -2.359 -6.087 -0.178
106 HB2 PHE 13 2HB PHE 13 -0.135 -8.060 0.433
107 HB3 PHE 13 3HB PHE 13 0.160 -6.406 -0.098
108 HD1 PHE 13 HD2 PHE 13 -1.182 -4.541 1.223
109 HD2 PHE 13 HD1 PHE 13 -0.254 -8.436 2.786
110 HE1 PHE 13 HE2 PHE 13 -1.461 -3.686 3.529
111 HE2 PHE 13 HE1 PHE 13 -0.534 -7.578 5.091
112 HZ PHE 13 HZ PHE 13 -1.136 -5.200 5.463
113 H THR 14 H THR 14 -1.201 -9.207 -1.512
114 HA THR 14 HA THR 14 -0.237 -8.129 -3.959
115 HB THR 14 HB THR 14 -0.500 -10.454 -4.828
116 HG1 THR 14 HG1 THR 14 -2.157 -11.404 -3.963
117 HG21 THR 14 3HG2 THR 14 1.501 -9.977 -3.582
118 HG22 THR 14 1HG2 THR 14 0.908 -11.543 -3.036
119 HG23 THR 14 2HG2 THR 14 0.644 -10.107 -2.046
120 H SER 15 H SER 15 -3.469 -9.402 -3.135
121 HA SER 15 HA SER 15 -4.585 -9.153 -5.740
122 HB2 SER 15 2HB SER 15 -5.925 -8.887 -3.035
123 HB3 SER 15 3HB SER 15 -6.776 -9.089 -4.565
124 HG SER 15 HG SER 15 -6.388 -11.071 -3.399
125 H ALA 16 H ALA 16 -4.478 -6.805 -3.051
126 HA ALA 16 HA ALA 16 -5.946 -4.769 -4.473
127 HB1 ALA 16 3HB ALA 16 -5.628 -4.857 -1.979
128 HB2 ALA 16 1HB ALA 16 -5.273 -3.285 -2.692
129 HB3 ALA 16 2HB ALA 16 -3.954 -4.358 -2.224
130 H ILE 17 H ILE 17 -2.458 -5.376 -4.044
131 HA ILE 17 HA ILE 17 -1.564 -3.005 -5.369
132 HB ILE 17 HB ILE 17 -0.286 -5.737 -5.043
133 HG12 ILE 17 2HG1 ILE 17 0.341 -3.122 -3.629
134 HG13 ILE 17 3HG1 ILE 17 -0.813 -4.283 -2.992
135 HG21 ILE 17 1HG2 ILE 17 1.883 -4.440 -5.508
136 HG22 ILE 17 2HG2 ILE 17 0.861 -3.154 -6.149
137 HG23 ILE 17 3HG2 ILE 17 0.857 -4.744 -6.908
138 HD11 ILE 17 3HD1 ILE 17 0.993 -6.036 -3.064
139 HD12 ILE 17 1HD1 ILE 17 1.335 -4.715 -1.952
140 HD13 ILE 17 2HD1 ILE 17 2.132 -4.770 -3.522
141 H GLU 18 H GLU 18 -2.140 -6.298 -6.625
142 HA GLU 18 HA GLU 18 -1.362 -5.695 -9.308
143 HB2 GLU 18 2HB GLU 18 -3.257 -7.801 -8.232
144 HB3 GLU 18 3HB GLU 18 -2.676 -7.751 -9.894
145 HG2 GLU 18 2HG GLU 18 -0.850 -7.878 -7.475
146 HG3 GLU 18 3HG GLU 18 -1.358 -9.294 -8.396
147 H ALA 19 H ALA 19 -4.425 -5.347 -7.604
148 HA ALA 19 HA ALA 19 -6.048 -4.865 -9.912
149 HB1 ALA 19 3HB ALA 19 -7.670 -3.956 -8.371
150 HB2 ALA 19 1HB ALA 19 -6.430 -3.693 -7.144
151 HB3 ALA 19 2HB ALA 19 -6.898 -5.334 -7.589
152 H VAL 20 H VAL 20 -4.095 -2.703 -7.881
153 HA VAL 20 HA VAL 20 -4.797 -0.387 -9.657
154 HB VAL 20 HB VAL 20 -3.865 1.027 -7.925
155 HG11 VAL 20 1HG1 VAL 20 -5.428 0.528 -6.123
156 HG12 VAL 20 2HG1 VAL 20 -5.570 -1.143 -6.671
157 HG13 VAL 20 3HG1 VAL 20 -6.191 0.170 -7.673
158 HG21 VAL 20 3HG2 VAL 20 -3.067 -0.079 -5.762
159 HG22 VAL 20 1HG2 VAL 20 -1.984 -0.244 -7.141
160 HG23 VAL 20 2HG2 VAL 20 -3.007 -1.592 -6.663
161 H ALA 21 H ALA 21 -2.448 -2.781 -9.477
162 HA ALA 21 HA ALA 21 -0.050 -1.282 -9.885
163 HB1 ALA 21 3HB ALA 21 0.801 -3.355 -11.011
164 HB2 ALA 21 1HB ALA 21 -0.823 -4.030 -10.911
165 HB3 ALA 21 2HB ALA 21 0.081 -3.679 -9.438
166 H ARG 22 H ARG 22 -2.776 -1.942 -11.939
167 HA ARG 22 HA ARG 22 -3.275 -1.241 -14.119
168 HB2 ARG 22 2HB ARG 22 -2.407 0.933 -13.083
169 HB3 ARG 22 3HB ARG 22 -0.867 0.590 -13.852
170 HG2 ARG 22 2HG ARG 22 -1.982 0.553 -16.064
171 HG3 ARG 22 3HG ARG 22 -3.512 0.923 -15.285
172 HD2 ARG 22 2HD ARG 22 -1.305 2.820 -14.621
173 HD3 ARG 22 3HD ARG 22 -1.832 2.851 -16.294
174 HE ARG 22 HE ARG 22 -4.209 3.075 -15.266
175 HH11 ARG 22 1HH2 ARG 22 -1.407 4.270 -13.568
176 HH12 ARG 22 2HH2 ARG 22 -2.203 5.721 -13.071
177 HH21 ARG 22 1HH1 ARG 22 -5.197 4.953 -14.635
178 HH22 ARG 22 2HH1 ARG 22 -4.338 6.116 -13.680
179 H ASP 23 H ASP 23 -0.499 -2.881 -13.293
180 HA ASP 23 HA ASP 23 -0.207 -4.112 -15.852
181 HB2 ASP 23 2HB ASP 23 2.185 -3.259 -16.276
182 HB3 ASP 23 3HB ASP 23 0.884 -2.134 -16.649
183 H SER 24 H SER 24 2.789 -3.496 -14.240
184 HA SER 24 HA SER 24 2.519 -5.597 -12.232
185 HB2 SER 24 2HB SER 24 2.777 -7.030 -14.185
186 HB3 SER 24 3HB SER 24 4.162 -6.091 -14.734
187 HG SER 24 HG SER 24 4.624 -6.795 -12.232
188 H GLY 25 H GLY 25 3.347 -3.960 -10.849
189 HA2 GLY 25 2HA GLY 25 6.186 -3.841 -10.587
190 HA3 GLY 25 3HA GLY 25 5.636 -2.364 -11.378
191 H TRP 26 H TRP 26 6.171 -1.053 -9.593
192 HA TRP 26 HA TRP 26 5.299 -1.578 -6.899
193 HB2 TRP 26 2HB TRP 26 6.139 0.988 -8.288
194 HB3 TRP 26 3HB TRP 26 5.839 0.867 -6.555
195 HD1 TRP 26 HD1 TRP 26 8.380 0.039 -9.214
196 HE1 TRP 26 HE1 TRP 26 10.476 -0.980 -8.112
197 HE3 TRP 26 HE3 TRP 26 6.639 -0.630 -4.464
198 HZ2 TRP 26 HZ2 TRP 26 11.302 -1.954 -5.549
199 HZ3 TRP 26 HZ3 TRP 26 8.097 -1.605 -2.713
200 HH2 TRP 26 HH2 TRP 26 10.425 -2.266 -3.250
201 H ALA 27 H ALA 27 3.922 0.393 -5.853
202 HA ALA 27 HA ALA 27 1.654 1.255 -7.497
203 HB1 ALA 27 3HB ALA 27 0.827 -0.949 -7.089
204 HB2 ALA 27 1HB ALA 27 0.015 0.070 -5.902
205 HB3 ALA 27 2HB ALA 27 1.384 -0.928 -5.417
206 H GLU 28 H GLU 28 0.431 2.869 -6.397
207 HA GLU 28 HA GLU 28 1.869 4.232 -4.249
208 HB2 GLU 28 2HB GLU 28 -0.797 4.788 -5.594
209 HB3 GLU 28 3HB GLU 28 -0.054 5.847 -4.396
210 HG2 GLU 28 2HG GLU 28 0.559 6.717 -6.552
211 HG3 GLU 28 3HG GLU 28 2.001 5.946 -5.890
212 H LEU 29 H LEU 29 1.528 3.962 -2.097
213 HA LEU 29 HA LEU 29 -0.147 1.953 -1.048
214 HB2 LEU 29 2HB LEU 29 1.778 2.980 0.165
215 HB3 LEU 29 3HB LEU 29 0.838 4.454 0.357
216 HG LEU 29 HG LEU 29 -0.884 3.142 1.636
217 HD11 LEU 29 1HD1 LEU 29 1.104 0.913 1.151
218 HD12 LEU 29 2HD1 LEU 29 -0.647 0.890 0.959
219 HD13 LEU 29 3HD1 LEU 29 0.057 0.891 2.568
220 HD21 LEU 29 3HD2 LEU 29 1.949 3.010 2.709
221 HD22 LEU 29 1HD2 LEU 29 0.480 2.945 3.683
222 HD23 LEU 29 2HD2 LEU 29 0.883 4.413 2.793
223 H SER 30 H SER 30 -0.763 5.441 -1.453
224 HA SER 30 HA SER 30 -3.211 5.606 -0.049
225 HB2 SER 30 2HB SER 30 -3.729 7.507 -1.556
226 HB3 SER 30 3HB SER 30 -2.066 7.577 -0.978
227 HG SER 30 HG SER 30 -2.630 6.195 -3.348
228 H ALA 31 H ALA 31 -2.606 4.625 -3.425
229 HA ALA 31 HA ALA 31 -5.361 4.246 -4.119
230 HB1 ALA 31 3HB ALA 31 -2.845 2.946 -5.204
231 HB2 ALA 31 1HB ALA 31 -3.659 4.368 -5.855
232 HB3 ALA 31 2HB ALA 31 -4.439 2.788 -5.943
233 H VAL 32 H VAL 32 -2.937 2.104 -2.666
234 HA VAL 32 HA VAL 32 -4.470 -0.309 -2.782
235 HB VAL 32 HB VAL 32 -2.393 0.587 -0.755
236 HG11 VAL 32 1HG1 VAL 32 -2.083 -1.918 -0.468
237 HG12 VAL 32 2HG1 VAL 32 -3.581 -2.135 -1.368
238 HG13 VAL 32 3HG1 VAL 32 -3.595 -1.283 0.175
239 HG21 VAL 32 3HG2 VAL 32 -1.694 0.551 -3.182
240 HG22 VAL 32 1HG2 VAL 32 -2.084 -1.169 -3.211
241 HG23 VAL 32 2HG2 VAL 32 -0.799 -0.573 -2.161
242 H GLY 33 H GLY 33 -4.167 2.130 -0.183
243 HA2 GLY 33 2HA GLY 33 -5.961 0.878 1.636
244 HA3 GLY 33 3HA GLY 33 -5.601 2.603 1.622
245 H SER 34 H SER 34 -6.599 3.409 -0.803
246 HA SER 34 HA SER 34 -9.413 3.577 -0.300
247 HB2 SER 34 2HB SER 34 -8.163 5.270 -1.606
248 HB3 SER 34 3HB SER 34 -7.913 4.088 -2.888
249 HG SER 34 HG SER 34 -10.011 5.666 -2.469
250 H TYR 35 H TYR 35 -7.525 1.597 -2.576
251 HA TYR 35 HA TYR 35 -9.723 0.393 -3.921
252 HB2 TYR 35 2HB TYR 35 -7.393 0.194 -4.707
253 HB3 TYR 35 3HB TYR 35 -6.995 -0.786 -3.295
254 HD1 TYR 35 HD1 TYR 35 -9.000 -0.655 -6.414
255 HD2 TYR 35 HD2 TYR 35 -7.622 -3.128 -3.181
256 HE1 TYR 35 HE1 TYR 35 -9.797 -2.670 -7.614
257 HE2 TYR 35 HE2 TYR 35 -8.417 -5.144 -4.385
258 HH TYR 35 HH TYR 35 -8.964 -5.367 -7.435
259 H LEU 36 H LEU 36 -7.953 -0.657 -0.998
260 HA LEU 36 HA LEU 36 -9.432 -3.060 -0.588
261 HB2 LEU 36 2HB LEU 36 -8.040 -1.200 1.357
262 HB3 LEU 36 3HB LEU 36 -8.700 -2.762 1.835
263 HG LEU 36 HG LEU 36 -6.682 -2.467 -0.417
264 HD11 LEU 36 1HD1 LEU 36 -5.611 -1.605 1.579
265 HD12 LEU 36 2HD1 LEU 36 -4.988 -3.229 1.284
266 HD13 LEU 36 3HD1 LEU 36 -6.200 -2.963 2.537
267 HD21 LEU 36 3HD2 LEU 36 -7.776 -4.810 1.179
268 HD22 LEU 36 1HD2 LEU 36 -6.236 -4.924 0.333
269 HD23 LEU 36 2HD2 LEU 36 -7.709 -4.614 -0.568
270 H ALA 37 H ALA 37 -9.993 0.254 0.579
271 HA ALA 37 HA ALA 37 -12.270 -0.330 2.187
272 HB1 ALA 37 3HB ALA 37 -11.685 2.179 0.580
273 HB2 ALA 37 1HB ALA 37 -11.131 1.861 2.225
274 HB3 ALA 37 2HB ALA 37 -12.854 2.054 1.895
275 H LYS 38 H LYS 38 -11.992 0.427 -1.280
276 HA LYS 38 HA LYS 38 -14.792 0.470 -1.844
277 HB2 LYS 38 2HB LYS 38 -13.001 1.274 -3.395
278 HB3 LYS 38 3HB LYS 38 -12.539 -0.404 -3.678
279 HG2 LYS 38 2HG LYS 38 -14.767 -0.896 -4.577
280 HG3 LYS 38 3HG LYS 38 -15.289 0.753 -4.229
281 HD2 LYS 38 2HD LYS 38 -13.556 1.620 -5.762
282 HD3 LYS 38 3HD LYS 38 -13.054 -0.031 -6.121
283 HE2 LYS 38 2HE LYS 38 -15.294 -0.535 -7.006
284 HE3 LYS 38 3HE LYS 38 -15.818 1.108 -6.632
285 HZ1 LYS 38 3HZ LYS 38 -13.642 1.617 -8.050
286 HZ2 LYS 38 1HZ LYS 38 -15.178 1.454 -8.749
287 HZ3 LYS 38 2HZ LYS 38 -14.096 0.146 -8.769
288 H ASN 39 H ASN 39 -12.419 -2.196 -1.951
289 HA ASN 39 HA ASN 39 -14.557 -4.162 -2.566
290 HB2 ASN 39 2HB ASN 39 -11.566 -4.446 -2.136
291 HB3 ASN 39 3HB ASN 39 -12.643 -5.786 -2.530
292 HD21 ASN 39 1HD2 ASN 39 -10.715 -3.325 -3.905
293 HD22 ASN 39 2HD2 ASN 39 -11.323 -3.407 -5.488
294 H ASP 40 H ASP 40 -13.581 -2.610 0.149
295 HA ASP 40 HA ASP 40 -14.762 -4.612 1.915
296 HB2 ASP 40 2HB ASP 40 -12.352 -5.368 1.646
297 HB3 ASP 40 3HB ASP 40 -11.868 -3.863 2.420
298 HA PRO 41 HA PRO 41 -14.991 -0.068 3.053
299 HB2 PRO 41 2HB PRO 41 -17.726 0.034 3.479
300 HB3 PRO 41 3HB PRO 41 -16.969 0.318 1.898
301 HG2 PRO 41 2HG PRO 41 -18.283 -2.162 2.943
302 HG3 PRO 41 3HG PRO 41 -18.362 -1.444 1.324
303 HD2 PRO 41 2HD PRO 41 -16.765 -3.583 1.899
304 HD3 PRO 41 3HD PRO 41 -16.330 -2.392 0.654
305 H SER 42 H SER 42 -15.850 -3.046 4.530
306 HA SER 42 HA SER 42 -16.550 -1.971 7.154
307 HB2 SER 42 2HB SER 42 -16.320 -4.301 7.908
308 HB3 SER 42 3HB SER 42 -17.263 -4.237 6.421
309 HG SER 42 HG SER 42 -14.814 -4.417 5.621
310 H PHE 43 H PHE 43 -13.696 -2.196 5.387
311 HA PHE 43 HA PHE 43 -11.833 -2.774 7.540
312 HB2 PHE 43 2HB PHE 43 -11.239 -3.103 5.165
313 HB3 PHE 43 3HB PHE 43 -11.371 -1.366 4.892
314 HD1 PHE 43 HD1 PHE 43 -9.691 -3.822 7.174
315 HD2 PHE 43 HD2 PHE 43 -9.403 -0.056 5.136
316 HE1 PHE 43 HE1 PHE 43 -7.363 -3.564 7.982
317 HE2 PHE 43 HE2 PHE 43 -7.073 0.207 5.947
318 HZ PHE 43 HZ PHE 43 -6.053 -1.550 7.368
319 H ASP 44 H ASP 44 -10.753 -1.339 8.867
320 HA ASP 44 HA ASP 44 -11.600 1.554 8.789
321 HB2 ASP 44 2HB ASP 44 -10.945 -0.230 11.144
322 HB3 ASP 44 3HB ASP 44 -11.259 1.502 11.249
323 HA PRO 45 HA PRO 45 -6.987 1.514 8.088
324 HB2 PRO 45 2HB PRO 45 -7.644 4.338 7.277
325 HB3 PRO 45 3HB PRO 45 -6.649 3.133 6.432
326 HG2 PRO 45 2HG PRO 45 -9.099 3.749 5.560
327 HG3 PRO 45 3HG PRO 45 -8.493 2.086 5.489
328 HD2 PRO 45 2HD PRO 45 -10.446 3.291 7.443
329 HD3 PRO 45 3HD PRO 45 -10.446 1.669 6.711
330 H ARG 46 H ARG 46 -9.127 3.483 9.953
331 HA ARG 46 HA ARG 46 -7.211 5.201 11.235
332 HB2 ARG 46 2HB ARG 46 -9.777 4.153 12.468
333 HB3 ARG 46 3HB ARG 46 -8.951 5.661 12.844
334 HG2 ARG 46 2HG ARG 46 -10.244 5.006 10.168
335 HG3 ARG 46 3HG ARG 46 -10.970 6.000 11.420
336 HD2 ARG 46 2HD ARG 46 -8.351 6.656 10.033
337 HD3 ARG 46 3HD ARG 46 -9.906 7.327 9.600
338 HE ARG 46 HE ARG 46 -9.892 8.029 12.169
339 HH11 ARG 46 1HH2 ARG 46 -7.217 8.032 9.942
340 HH12 ARG 46 2HH2 ARG 46 -6.487 9.433 10.648
341 HH21 ARG 46 1HH1 ARG 46 -8.937 9.849 13.060
342 HH22 ARG 46 2HH1 ARG 46 -7.457 10.460 12.398
343 H ASN 47 H ASN 47 -8.324 1.927 11.930
344 HA ASN 47 HA ASN 47 -7.040 1.677 14.482
345 HB2 ASN 47 2HB ASN 47 -7.722 -0.394 12.366
346 HB3 ASN 47 3HB ASN 47 -7.086 -0.808 13.958
347 HD21 ASN 47 1HD2 ASN 47 -9.711 -1.635 13.112
348 HD22 ASN 47 2HD2 ASN 47 -10.853 -0.832 14.080
349 H TRP 48 H TRP 48 -5.909 1.266 11.158
350 HA TRP 48 HA TRP 48 -3.269 0.268 11.948
351 HB2 TRP 48 2HB TRP 48 -4.344 1.331 9.316
352 HB3 TRP 48 3HB TRP 48 -2.746 0.614 9.524
353 HD1 TRP 48 HD1 TRP 48 -6.413 -0.366 10.303
354 HE1 TRP 48 HE1 TRP 48 -6.681 -2.886 9.833
355 HE3 TRP 48 HE3 TRP 48 -1.633 -1.522 8.927
356 HZ2 TRP 48 HZ2 TRP 48 -5.082 -5.098 8.983
357 HZ3 TRP 48 HZ3 TRP 48 -1.037 -3.839 8.287
358 HH2 TRP 48 HH2 TRP 48 -2.751 -5.629 8.315
359 H GLY 49 H GLY 49 -4.607 3.144 12.488
360 HA2 GLY 49 2HA GLY 49 -3.728 5.279 12.930
361 HA3 GLY 49 3HA GLY 49 -2.135 4.524 12.887
362 H HIS 50 H HIS 50 -2.921 7.131 11.787
363 HA HIS 50 HA HIS 50 -3.019 6.860 8.874
364 HB2 HIS 50 2HB HIS 50 -4.009 8.804 10.075
365 HB3 HIS 50 3HB HIS 50 -2.390 9.293 10.577
366 HD1 HIS 50 HD1 HIS 50 -0.769 10.162 8.713
367 HD2 HIS 50 HD2 HIS 50 -4.626 9.336 7.362
368 HE1 HIS 50 HE1 HIS 50 -0.960 11.203 6.411
369 H GLY 51 H GLY 51 -1.288 6.751 7.516
370 HA2 GLY 51 2HA GLY 51 0.939 6.872 6.754
371 HA3 GLY 51 3HA GLY 51 1.323 7.839 8.178
372 H ARG 52 H ARG 52 0.312 5.813 10.056
373 HA ARG 52 HA ARG 52 2.731 4.300 10.404
374 HB2 ARG 52 2HB ARG 52 1.133 4.998 12.229
375 HB3 ARG 52 3HB ARG 52 0.008 3.784 11.641
376 HG2 ARG 52 2HG ARG 52 1.657 2.011 12.076
377 HG3 ARG 52 3HG ARG 52 2.824 3.217 12.616
378 HD2 ARG 52 2HD ARG 52 1.062 3.916 14.362
379 HD3 ARG 52 3HD ARG 52 0.213 2.427 13.937
380 HE ARG 52 HE ARG 52 3.011 1.963 14.563
381 HH11 ARG 52 1HH2 ARG 52 -0.195 2.347 15.794
382 HH12 ARG 52 2HH2 ARG 52 0.176 1.644 17.335
383 HH21 ARG 52 1HH1 ARG 52 3.510 1.065 16.565
384 HH22 ARG 52 2HH1 ARG 52 2.275 0.923 17.772
385 H LEU 53 H LEU 53 0.029 3.866 8.394
386 HA LEU 53 HA LEU 53 -0.201 1.024 8.335
387 HB2 LEU 53 2HB LEU 53 -1.859 2.442 7.237
388 HB3 LEU 53 3HB LEU 53 -0.635 3.099 6.158
389 HG LEU 53 HG LEU 53 -0.346 0.887 5.106
390 HD11 LEU 53 1HD1 LEU 53 -2.326 0.029 7.231
391 HD12 LEU 53 2HD1 LEU 53 -0.767 -0.692 6.833
392 HD13 LEU 53 3HD1 LEU 53 -2.130 -0.888 5.736
393 HD21 LEU 53 3HD2 LEU 53 -2.056 2.419 4.226
394 HD22 LEU 53 1HD2 LEU 53 -3.245 1.740 5.337
395 HD23 LEU 53 2HD2 LEU 53 -2.574 0.743 4.049
396 H SER 54 H SER 54 1.891 3.278 6.548
397 HA SER 54 HA SER 54 3.179 1.319 4.906
398 HB2 SER 54 2HB SER 54 3.362 3.761 4.514
399 HB3 SER 54 3HB SER 54 4.305 3.921 5.991
400 HG SER 54 HG SER 54 5.698 2.247 4.943
401 H GLN 55 H GLN 55 3.981 2.600 8.123
402 HA GLN 55 HA GLN 55 6.413 1.076 8.406
403 HB2 GLN 55 2HB GLN 55 4.572 2.326 10.468
404 HB3 GLN 55 3HB GLN 55 6.156 1.642 10.836
405 HG2 GLN 55 2HG GLN 55 7.228 3.230 9.308
406 HG3 GLN 55 3HG GLN 55 5.653 3.887 8.860
407 HE21 GLN 55 1HE2 GLN 55 5.556 5.930 9.829
408 HE22 GLN 55 2HE2 GLN 55 5.920 6.241 11.457
409 H MET 56 H MET 56 3.015 0.401 9.106
410 HA MET 56 HA MET 56 3.425 -1.876 10.773
411 HB2 MET 56 2HB MET 56 1.233 -0.574 10.241
412 HB3 MET 56 3HB MET 56 1.104 -1.616 8.828
413 HG2 MET 56 2HG MET 56 1.374 -2.640 11.679
414 HG3 MET 56 3HG MET 56 -0.159 -2.457 10.833
415 HE1 MET 56 3HE MET 56 0.311 -5.012 12.049
416 HE2 MET 56 1HE MET 56 0.132 -6.254 10.800
417 HE3 MET 56 2HE MET 56 -0.983 -4.892 10.859
418 H VAL 57 H VAL 57 3.015 -1.643 7.229
419 HA VAL 57 HA VAL 57 3.310 -4.493 6.802
420 HB VAL 57 HB VAL 57 3.699 -3.799 4.401
421 HG11 VAL 57 1HG1 VAL 57 1.411 -2.883 4.098
422 HG12 VAL 57 2HG1 VAL 57 1.320 -2.582 5.833
423 HG13 VAL 57 3HG1 VAL 57 1.431 -4.235 5.231
424 HG21 VAL 57 3HG2 VAL 57 4.774 -1.617 4.962
425 HG22 VAL 57 1HG2 VAL 57 3.214 -1.022 5.504
426 HG23 VAL 57 2HG2 VAL 57 3.454 -1.453 3.814
427 H LYS 58 H LYS 58 5.513 -1.862 7.240
428 HA LYS 58 HA LYS 58 7.847 -3.039 6.044
429 HB2 LYS 58 2HB LYS 58 7.611 -0.619 6.708
430 HB3 LYS 58 3HB LYS 58 7.751 -1.120 8.390
431 HG2 LYS 58 2HG LYS 58 9.967 -2.063 7.962
432 HG3 LYS 58 3HG LYS 58 9.827 -1.664 6.249
433 HD2 LYS 58 2HD LYS 58 9.654 0.734 6.823
434 HD3 LYS 58 3HD LYS 58 9.815 0.332 8.533
435 HE2 LYS 58 2HE LYS 58 12.038 -0.635 8.112
436 HE3 LYS 58 3HE LYS 58 11.879 -0.269 6.394
437 HZ1 LYS 58 3HZ LYS 58 12.070 1.975 6.760
438 HZ2 LYS 58 1HZ LYS 58 13.111 1.370 7.954
439 HZ3 LYS 58 2HZ LYS 58 11.545 1.880 8.372
440 H LYS 59 H LYS 59 6.272 -3.466 9.145
441 HA LYS 59 HA LYS 59 8.502 -4.754 10.461
442 HB2 LYS 59 2HB LYS 59 5.513 -4.870 10.976
443 HB3 LYS 59 3HB LYS 59 6.735 -5.549 12.051
444 HG2 LYS 59 2HG LYS 59 7.752 -3.329 12.326
445 HG3 LYS 59 3HG LYS 59 6.562 -2.636 11.223
446 HD2 LYS 59 2HD LYS 59 4.746 -3.259 12.745
447 HD3 LYS 59 3HD LYS 59 5.901 -4.031 13.833
448 HE2 LYS 59 2HE LYS 59 5.351 -1.784 14.651
449 HE3 LYS 59 3HE LYS 59 7.040 -1.849 14.147
450 HZ1 LYS 59 3HZ LYS 59 6.636 -0.603 12.291
451 HZ2 LYS 59 1HZ LYS 59 5.504 0.079 13.356
452 HZ3 LYS 59 2HZ LYS 59 5.000 -1.053 12.192
453 H LEU 60 H LEU 60 6.696 -5.728 7.835
454 HA LEU 60 HA LEU 60 6.829 -8.656 8.498
455 HB2 LEU 60 2HB LEU 60 5.536 -7.288 6.124
456 HB3 LEU 60 3HB LEU 60 5.347 -8.969 6.606
457 HG LEU 60 HG LEU 60 4.474 -6.557 8.226
458 HD11 LEU 60 1HD1 LEU 60 3.123 -6.968 6.184
459 HD12 LEU 60 2HD1 LEU 60 2.200 -7.279 7.655
460 HD13 LEU 60 3HD1 LEU 60 2.846 -8.626 6.719
461 HD21 LEU 60 3HD2 LEU 60 3.220 -8.468 9.501
462 HD22 LEU 60 1HD2 LEU 60 4.934 -8.243 9.823
463 HD23 LEU 60 2HD2 LEU 60 4.403 -9.542 8.756
464 H ASP 61 H ASP 61 8.512 -9.781 7.703
465 HA ASP 61 HA ASP 61 10.541 -8.558 6.082
466 HB2 ASP 61 2HB ASP 61 11.529 -10.837 6.020
467 HB3 ASP 61 3HB ASP 61 11.075 -10.344 7.652
468 H PHE 62 H PHE 62 7.915 -10.836 5.265
469 HA PHE 62 HA PHE 62 8.859 -11.179 2.526
470 HB2 PHE 62 2HB PHE 62 6.851 -12.461 2.174
471 HB3 PHE 62 3HB PHE 62 7.465 -12.866 3.773
472 HD1 PHE 62 HD1 PHE 62 6.345 -12.000 5.820
473 HD2 PHE 62 HD2 PHE 62 4.751 -11.249 1.898
474 HE1 PHE 62 HE1 PHE 62 4.179 -11.323 6.822
475 HE2 PHE 62 HE2 PHE 62 2.594 -10.566 2.905
476 HZ PHE 62 HZ PHE 62 2.306 -10.606 5.366
477 H LEU 63 H LEU 63 8.019 -8.401 3.738
478 HA LEU 63 HA LEU 63 6.464 -7.538 1.320
479 HB2 LEU 63 2HB LEU 63 5.176 -7.785 3.609
480 HB3 LEU 63 3HB LEU 63 6.015 -6.306 4.048
481 HG LEU 63 HG LEU 63 3.802 -5.802 3.184
482 HD11 LEU 63 1HD1 LEU 63 4.402 -4.074 1.718
483 HD12 LEU 63 2HD1 LEU 63 5.725 -4.995 1.005
484 HD13 LEU 63 3HD1 LEU 63 5.868 -4.358 2.642
485 HD21 LEU 63 3HD2 LEU 63 4.446 -6.768 0.407
486 HD22 LEU 63 1HD2 LEU 63 2.891 -6.571 1.208
487 HD23 LEU 63 2HD2 LEU 63 3.906 -7.952 1.595
488 H THR 64 H THR 64 7.745 -6.159 0.216
489 HA THR 64 HA THR 64 9.905 -4.670 1.605
490 HB THR 64 HB THR 64 9.188 -4.770 -1.343
491 HG1 THR 64 HG1 THR 64 11.436 -6.049 -0.517
492 HG21 THR 64 3HG2 THR 64 11.570 -4.022 -1.586
493 HG22 THR 64 1HG2 THR 64 11.639 -3.815 0.163
494 HG23 THR 64 2HG2 THR 64 10.542 -2.824 -0.800
495 H VAL 65 H VAL 65 9.960 -2.442 1.806
496 HA VAL 65 HA VAL 65 7.567 -0.876 0.856
497 HB VAL 65 HB VAL 65 9.073 -0.552 3.471
498 HG11 VAL 65 1HG1 VAL 65 8.228 1.586 2.721
499 HG12 VAL 65 2HG1 VAL 65 7.130 1.000 3.970
500 HG13 VAL 65 3HG1 VAL 65 6.677 0.874 2.270
501 HG21 VAL 65 3HG2 VAL 65 7.631 -2.593 3.351
502 HG22 VAL 65 1HG2 VAL 65 6.257 -1.555 2.962
503 HG23 VAL 65 2HG2 VAL 65 7.062 -1.407 4.520
504 H GLN 66 H GLN 66 8.053 0.961 -0.206
505 HA GLN 66 HA GLN 66 10.732 2.238 0.117
506 HB2 GLN 66 2HB GLN 66 9.498 1.386 -2.525
507 HB3 GLN 66 3HB GLN 66 10.861 2.498 -2.385
508 HG2 GLN 66 2HG GLN 66 12.142 0.749 -1.180
509 HG3 GLN 66 3HG GLN 66 10.789 -0.363 -1.389
510 HE21 GLN 66 1HE2 GLN 66 12.811 -1.482 -2.566
511 HE22 GLN 66 2HE2 GLN 66 12.916 -1.183 -4.233
512 H GLU 67 H GLU 67 10.566 4.447 0.073
513 HA GLU 67 HA GLU 67 7.845 5.621 -0.351
514 HB2 GLU 67 2HB GLU 67 8.949 6.009 1.835
515 HB3 GLU 67 3HB GLU 67 10.303 6.767 1.001
516 HG2 GLU 67 2HG GLU 67 8.893 8.523 0.161
517 HG3 GLU 67 3HG GLU 67 7.442 7.730 0.778
518 H SER 68 H SER 68 7.536 6.649 -2.260
519 HA SER 68 HA SER 68 9.879 7.475 -3.894
520 HB2 SER 68 2HB SER 68 6.902 7.405 -4.477
521 HB3 SER 68 3HB SER 68 8.138 7.897 -5.633
522 HG SER 68 HG SER 68 8.475 5.465 -4.307
523 H ARG 69 H ARG 69 10.301 9.636 -4.356
524 HA ARG 69 HA ARG 69 9.015 11.668 -2.617
525 HB2 ARG 69 2HB ARG 69 11.357 11.704 -4.544
526 HB3 ARG 69 3HB ARG 69 10.756 13.170 -3.769
527 HG2 ARG 69 2HG ARG 69 11.244 12.302 -1.588
528 HG3 ARG 69 3HG ARG 69 11.685 10.715 -2.222
529 HD2 ARG 69 2HD ARG 69 13.609 11.590 -3.355
530 HD3 ARG 69 3HD ARG 69 13.103 13.242 -3.122
531 HE ARG 69 HE ARG 69 14.993 12.517 -1.605
532 HH11 ARG 69 1HH2 ARG 69 12.005 11.303 -0.360
533 HH12 ARG 69 2HH2 ARG 69 12.210 12.090 1.169
534 HH21 ARG 69 1HH1 ARG 69 15.268 13.456 0.380
535 HH22 ARG 69 2HH1 ARG 69 14.042 13.282 1.594
536 H ASN 70 H ASN 70 6.897 11.826 -3.659
537 HA ASN 70 HA ASN 70 6.861 12.714 -6.524
538 HB2 ASN 70 2HB ASN 70 4.656 11.804 -4.647
539 HB3 ASN 70 3HB ASN 70 4.368 12.422 -6.274
540 HD21 ASN 70 1HD2 ASN 70 3.730 9.692 -5.505
541 HD22 ASN 70 2HD2 ASN 70 4.735 8.662 -6.400
542 H GLY 71 H GLY 71 7.237 14.866 -6.626
543 HA2 GLY 71 2HA GLY 71 6.947 17.164 -6.282
544 HA3 GLY 71 3HA GLY 71 5.299 16.756 -5.803
545 H SER 72 H SER 72 5.062 18.001 -3.972
546 HA SER 72 HA SER 72 7.188 18.094 -1.919
547 HB2 SER 72 2HB SER 72 5.767 19.698 -0.805
548 HB3 SER 72 3HB SER 72 5.768 20.090 -2.524
549 HG SER 72 HG SER 72 3.703 19.538 -0.976
550 H LYS 73 H LYS 73 4.610 16.029 -2.671
551 HA LYS 73 HA LYS 73 4.313 15.125 0.192
552 HB2 LYS 73 2HB LYS 73 2.220 15.873 -0.962
553 HB3 LYS 73 3HB LYS 73 2.470 14.599 -2.156
554 HG2 LYS 73 2HG LYS 73 2.333 12.886 -0.420
555 HG3 LYS 73 3HG LYS 73 2.219 14.126 0.831
556 HD2 LYS 73 2HD LYS 73 0.105 14.932 -0.174
557 HD3 LYS 73 3HD LYS 73 0.214 13.665 -1.397
558 HE2 LYS 73 2HE LYS 73 0.133 13.128 1.586
559 HE3 LYS 73 3HE LYS 73 -1.284 13.076 0.538
560 HZ1 LYS 73 3HZ LYS 73 -0.736 10.984 0.114
561 HZ2 LYS 73 1HZ LYS 73 0.764 11.135 0.893
562 HZ3 LYS 73 2HZ LYS 73 0.611 11.564 -0.744
563 H LEU 74 H LEU 74 5.335 13.287 0.651
564 HA LEU 74 HA LEU 74 6.391 11.547 -1.495
565 HB2 LEU 74 2HB LEU 74 6.570 11.292 1.528
566 HB3 LEU 74 3HB LEU 74 7.402 10.292 0.353
567 HG LEU 74 HG LEU 74 8.275 12.686 -0.557
568 HD11 LEU 74 1HD1 LEU 74 6.972 13.960 1.167
569 HD12 LEU 74 2HD1 LEU 74 8.706 14.237 1.269
570 HD13 LEU 74 3HD1 LEU 74 7.916 13.163 2.420
571 HD21 LEU 74 3HD2 LEU 74 9.740 10.862 0.183
572 HD22 LEU 74 1HD2 LEU 74 9.411 11.266 1.872
573 HD23 LEU 74 2HD2 LEU 74 10.279 12.402 0.851
574 H HIS 75 H HIS 75 5.441 9.694 -2.145
575 HA HIS 75 HA HIS 75 2.996 8.730 -0.680
576 HB2 HIS 75 2HB HIS 75 3.873 8.444 -3.574
577 HB3 HIS 75 3HB HIS 75 2.466 7.632 -2.885
578 HD1 HIS 75 HD1 HIS 75 3.239 10.561 -4.729
579 HD2 HIS 75 HD2 HIS 75 0.762 9.809 -1.463
580 HE1 HIS 75 HE1 HIS 75 1.575 12.467 -4.639
581 H SER 76 H SER 76 3.168 6.848 0.360
582 HA SER 76 HA SER 76 5.593 5.279 0.308
583 HB2 SER 76 2HB SER 76 4.379 5.269 2.357
584 HB3 SER 76 3HB SER 76 2.869 4.888 1.544
585 HG SER 76 HG SER 76 4.974 3.255 2.291
586 H GLU 77 H GLU 77 5.786 3.067 -0.417
587 HA GLU 77 HA GLU 77 3.731 2.115 -2.382
588 HB2 GLU 77 2HB GLU 77 6.718 2.366 -2.874
589 HB3 GLU 77 3HB GLU 77 5.615 1.465 -3.911
590 HG2 GLU 77 2HG GLU 77 4.314 3.506 -4.333
591 HG3 GLU 77 3HG GLU 77 5.384 4.417 -3.270
592 H ILE 78 H ILE 78 3.818 -0.181 -2.708
593 HA ILE 78 HA ILE 78 5.516 -1.746 -0.798
594 HB ILE 78 HB ILE 78 3.511 -3.126 -0.237
595 HG12 ILE 78 2HG1 ILE 78 1.990 -0.893 -1.629
596 HG13 ILE 78 3HG1 ILE 78 2.189 -2.513 -2.276
597 HG21 ILE 78 1HG2 ILE 78 2.564 -1.536 1.343
598 HG22 ILE 78 2HG2 ILE 78 3.137 -0.176 0.377
599 HG23 ILE 78 3HG2 ILE 78 4.294 -1.222 1.201
600 HD11 ILE 78 3HD1 ILE 78 0.083 -2.604 -1.236
601 HD12 ILE 78 1HD1 ILE 78 0.615 -1.639 0.138
602 HD13 ILE 78 2HD1 ILE 78 1.143 -3.313 -0.021
603 H ARG 79 H ARG 79 5.911 -3.887 -1.464
604 HA ARG 79 HA ARG 79 4.836 -4.827 -4.060
605 HB2 ARG 79 2HB ARG 79 6.807 -3.403 -4.622
606 HB3 ARG 79 3HB ARG 79 7.813 -4.429 -3.605
607 HG2 ARG 79 2HG ARG 79 7.204 -6.380 -5.044
608 HG3 ARG 79 3HG ARG 79 6.283 -5.288 -6.084
609 HD2 ARG 79 2HD ARG 79 8.531 -5.635 -7.009
610 HD3 ARG 79 3HD ARG 79 8.336 -3.965 -6.490
611 HE ARG 79 HE ARG 79 9.742 -4.386 -4.576
612 HH11 ARG 79 1HH2 ARG 79 9.555 -7.052 -6.797
613 HH12 ARG 79 2HH2 ARG 79 10.684 -8.014 -5.907
614 HH21 ARG 79 1HH1 ARG 79 11.183 -5.649 -3.431
615 HH22 ARG 79 2HH1 ARG 79 11.598 -7.228 -4.006
616 H LEU 80 H LEU 80 4.966 -7.092 -4.196
617 HA LEU 80 HA LEU 80 5.624 -8.441 -1.641
618 HB2 LEU 80 2HB LEU 80 3.503 -8.745 -3.215
619 HB3 LEU 80 3HB LEU 80 4.543 -9.859 -4.085
620 HG LEU 80 HG LEU 80 3.293 -11.142 -2.464
621 HD11 LEU 80 1HD1 LEU 80 6.041 -10.781 -1.243
622 HD12 LEU 80 2HD1 LEU 80 5.790 -11.587 -2.788
623 HD13 LEU 80 3HD1 LEU 80 5.070 -12.251 -1.322
624 HD21 LEU 80 3HD2 LEU 80 4.418 -9.712 -0.061
625 HD22 LEU 80 1HD2 LEU 80 2.881 -10.535 -0.268
626 HD23 LEU 80 2HD2 LEU 80 3.094 -8.922 -0.913
627 H ARG 81 H ARG 81 7.674 -9.091 -1.386
628 HA ARG 81 HA ARG 81 9.492 -9.504 -3.620
629 HB2 ARG 81 2HB ARG 81 10.179 -8.613 -1.404
630 HB3 ARG 81 3HB ARG 81 9.827 -10.183 -0.686
631 HG2 ARG 81 2HG ARG 81 11.538 -11.260 -2.008
632 HG3 ARG 81 3HG ARG 81 11.800 -9.795 -2.954
633 HD2 ARG 81 2HD ARG 81 12.270 -10.042 0.033
634 HD3 ARG 81 3HD ARG 81 13.538 -10.070 -1.195
635 HE ARG 81 HE ARG 81 11.967 -7.704 -0.360
636 HH11 ARG 81 1HH2 ARG 81 14.311 -9.115 -2.487
637 HH12 ARG 81 2HH2 ARG 81 14.677 -7.616 -3.268
638 HH21 ARG 81 1HH1 ARG 81 12.420 -5.770 -1.399
639 HH22 ARG 81 2HH1 ARG 81 13.605 -5.728 -2.662
640 H HIS 82 H HIS 82 8.546 -11.223 -4.825
641 HA HIS 82 HA HIS 82 9.388 -13.863 -4.036
642 HB2 HIS 82 2HB HIS 82 7.272 -13.554 -2.645
643 HB3 HIS 82 3HB HIS 82 6.377 -13.453 -4.160
644 HD1 HIS 82 HD1 HIS 82 6.144 -15.619 -5.566
645 HD2 HIS 82 HD2 HIS 82 8.267 -16.150 -2.017
646 HE1 HIS 82 HE1 HIS 82 6.361 -18.120 -5.228
647 H ASP 83 H ASP 83 8.321 -11.564 -6.215
648 HA ASP 83 HA ASP 83 7.456 -13.354 -8.366
649 HB2 ASP 83 2HB ASP 83 7.536 -11.268 -9.739
650 HB3 ASP 83 3HB ASP 83 6.573 -11.084 -8.273
651 H GLY 84 H GLY 84 10.443 -12.709 -7.021
652 HA2 GLY 84 2HA GLY 84 12.035 -12.547 -9.465
653 HA3 GLY 84 3HA GLY 84 12.658 -12.851 -7.841
654 H LEU 85 H LEU 85 11.414 -14.346 -10.748
655 HA LEU 85 HA LEU 85 11.486 -17.072 -9.631
656 HB2 LEU 85 2HB LEU 85 11.254 -16.193 -12.526
657 HB3 LEU 85 3HB LEU 85 10.847 -17.775 -11.864
658 HG LEU 85 HG LEU 85 9.475 -15.162 -11.155
659 HD11 LEU 85 1HD1 LEU 85 8.512 -17.537 -12.782
660 HD12 LEU 85 2HD1 LEU 85 8.984 -15.971 -13.444
661 HD13 LEU 85 3HD1 LEU 85 7.569 -16.096 -12.399
662 HD21 LEU 85 3HD2 LEU 85 9.140 -18.008 -10.164
663 HD22 LEU 85 1HD2 LEU 85 7.781 -16.882 -10.133
664 HD23 LEU 85 2HD2 LEU 85 9.244 -16.518 -9.228
665 H GLU 86 H GLU 86 13.148 -18.525 -9.855
666 HA GLU 86 HA GLU 86 15.378 -19.215 -10.134
667 HB2 GLU 86 2HB GLU 86 14.778 -17.943 -12.822
668 HB3 GLU 86 3HB GLU 86 16.214 -18.917 -12.498
669 HG2 GLU 86 2HG GLU 86 14.807 -20.836 -11.894
670 HG3 GLU 86 3HG GLU 86 13.355 -19.868 -12.144
671 H HIS 87 H HIS 87 17.539 -18.118 -11.474
672 HA HIS 87 HA HIS 87 17.876 -15.343 -10.380
673 HB2 HIS 87 2HB HIS 87 18.790 -17.069 -8.780
674 HB3 HIS 87 3HB HIS 87 19.894 -17.590 -10.050
675 HD1 HIS 87 HD1 HIS 87 18.961 -14.345 -8.264
676 HD2 HIS 87 HD2 HIS 87 22.262 -16.167 -10.043
677 HE1 HIS 87 HE1 HIS 87 20.925 -12.793 -7.885
678 H HIS 88 H HIS 88 18.885 -14.028 -11.822
679 HA HIS 88 HA HIS 88 20.760 -15.103 -13.835
680 HB2 HIS 88 2HB HIS 88 18.172 -13.736 -14.640
681 HB3 HIS 88 3HB HIS 88 19.495 -14.136 -15.735
682 HD1 HIS 88 HD1 HIS 88 20.138 -16.813 -15.744
683 HD2 HIS 88 HD2 HIS 88 16.342 -15.794 -14.355
684 HE1 HIS 88 HE1 HIS 88 18.753 -18.931 -15.826
685 H HIS 89 H HIS 89 21.710 -13.265 -15.123
686 HA HIS 89 HA HIS 89 22.887 -11.235 -15.079
687 HB2 HIS 89 2HB HIS 89 20.229 -10.257 -13.992
688 HB3 HIS 89 3HB HIS 89 21.496 -9.239 -14.673
689 HD1 HIS 89 HD1 HIS 89 18.897 -9.084 -16.132
690 HD2 HIS 89 HD2 HIS 89 21.716 -12.028 -17.015
691 HE1 HIS 89 HE1 HIS 89 18.387 -9.885 -18.480
692 H HIS 90 H HIS 90 24.247 -12.126 -13.329
693 HA HIS 90 HA HIS 90 24.177 -10.387 -10.940
694 HB2 HIS 90 2HB HIS 90 24.347 -12.320 -9.386
695 HB3 HIS 90 3HB HIS 90 22.801 -12.299 -10.235
696 HD1 HIS 90 HD1 HIS 90 22.667 -13.922 -12.406
697 HD2 HIS 90 HD2 HIS 90 25.819 -14.649 -9.777
698 HE1 HIS 90 HE1 HIS 90 23.539 -16.234 -12.956
699 H HIS 91 H HIS 91 25.838 -11.507 -13.419
700 HA HIS 91 HA HIS 91 28.247 -12.581 -12.293
701 HB2 HIS 91 2HB HIS 91 29.261 -11.995 -14.476
702 HB3 HIS 91 3HB HIS 91 27.703 -12.793 -14.683
703 HD1 HIS 91 HD1 HIS 91 25.672 -11.293 -15.405
704 HD2 HIS 91 HD2 HIS 91 29.331 -9.296 -15.318
705 HE1 HIS 91 HE1 HIS 91 25.322 -9.100 -16.623
706 H HIS 92 H HIS 92 27.261 -9.275 -13.112
707 HA HIS 92 HA HIS 92 29.790 -8.075 -12.377
708 HB2 HIS 92 2HB HIS 92 28.118 -6.978 -13.871
709 HB3 HIS 92 3HB HIS 92 27.038 -6.800 -12.488
710 HD1 HIS 92 HD1 HIS 92 27.755 -5.123 -10.613
711 HD2 HIS 92 HD2 HIS 92 30.305 -5.177 -13.910
712 HE1 HIS 92 HE1 HIS 92 29.241 -3.083 -10.402
Start of MODEL 6
1 H1 MET 1 1H MET 1 -0.779 -14.902 17.286
2 H2 MET 1 2H MET 1 -0.875 -14.674 15.606
3 H3 MET 1 3H MET 1 -1.868 -15.822 16.368
4 HA MET 1 HA MET 1 -3.404 -14.332 16.902
5 HB2 MET 1 2HB MET 1 -1.760 -13.535 18.671
6 HB3 MET 1 3HB MET 1 -1.216 -12.320 17.519
7 HG2 MET 1 2HG MET 1 -2.871 -11.262 18.905
8 HG3 MET 1 3HG MET 1 -3.644 -11.561 17.349
9 HE1 MET 1 3HE MET 1 -6.019 -11.254 18.507
10 HE2 MET 1 1HE MET 1 -5.100 -10.890 19.974
11 HE3 MET 1 2HE MET 1 -6.445 -12.028 20.032
12 HA PRO 2 HA PRO 2 -2.484 -12.652 12.617
13 HB2 PRO 2 2HB PRO 2 -5.233 -13.764 12.150
14 HB3 PRO 2 3HB PRO 2 -3.767 -13.951 11.166
15 HG2 PRO 2 2HG PRO 2 -4.686 -15.978 12.639
16 HG3 PRO 2 3HG PRO 2 -2.941 -15.679 12.496
17 HD2 PRO 2 2HD PRO 2 -4.784 -14.975 14.787
18 HD3 PRO 2 3HD PRO 2 -3.137 -15.653 14.838
19 H HIS 3 H HIS 3 -3.266 -10.671 11.799
20 HA HIS 3 HA HIS 3 -4.927 -9.080 13.590
21 HB2 HIS 3 2HB HIS 3 -3.769 -8.537 10.834
22 HB3 HIS 3 3HB HIS 3 -4.676 -7.341 11.759
23 HD1 HIS 3 HD1 HIS 3 -1.476 -9.363 11.901
24 HD2 HIS 3 HD2 HIS 3 -3.230 -6.098 13.808
25 HE1 HIS 3 HE1 HIS 3 0.311 -8.357 13.385
26 H LYS 4 H LYS 4 -5.378 -9.318 10.078
27 HA LYS 4 HA LYS 4 -8.209 -8.932 10.247
28 HB2 LYS 4 2HB LYS 4 -6.458 -10.024 8.019
29 HB3 LYS 4 3HB LYS 4 -8.175 -9.656 7.825
30 HG2 LYS 4 2HG LYS 4 -7.766 -7.320 8.455
31 HG3 LYS 4 3HG LYS 4 -6.054 -7.671 8.698
32 HD2 LYS 4 2HD LYS 4 -5.863 -8.330 6.318
33 HD3 LYS 4 3HD LYS 4 -7.566 -7.935 6.080
34 HE2 LYS 4 2HE LYS 4 -5.476 -5.965 7.056
35 HE3 LYS 4 3HE LYS 4 -6.029 -6.085 5.385
36 HZ1 LYS 4 3HZ LYS 4 -8.345 -5.947 6.743
37 HZ2 LYS 4 1HZ LYS 4 -7.567 -4.619 6.030
38 HZ3 LYS 4 2HZ LYS 4 -7.346 -4.946 7.683
39 H GLU 5 H GLU 5 -6.246 -11.867 9.787
40 HA GLU 5 HA GLU 5 -6.767 -14.124 10.064
41 HB2 GLU 5 2HB GLU 5 -7.583 -13.273 12.305
42 HB3 GLU 5 3HB GLU 5 -9.197 -13.167 11.612
43 HG2 GLU 5 2HG GLU 5 -9.173 -15.562 11.106
44 HG3 GLU 5 3HG GLU 5 -7.529 -15.691 11.726
45 H LYS 6 H LYS 6 -9.061 -11.953 8.662
46 HA LYS 6 HA LYS 6 -11.019 -13.826 7.751
47 HB2 LYS 6 2HB LYS 6 -11.313 -11.344 7.792
48 HB3 LYS 6 3HB LYS 6 -10.150 -11.224 6.472
49 HG2 LYS 6 2HG LYS 6 -11.591 -12.506 5.001
50 HG3 LYS 6 3HG LYS 6 -12.701 -12.853 6.326
51 HD2 LYS 6 2HD LYS 6 -13.653 -11.058 5.007
52 HD3 LYS 6 3HD LYS 6 -13.129 -10.386 6.547
53 HE2 LYS 6 2HE LYS 6 -11.225 -9.339 5.565
54 HE3 LYS 6 3HE LYS 6 -11.336 -10.317 4.101
55 HZ1 LYS 6 3HZ LYS 6 -13.659 -9.185 3.941
56 HZ2 LYS 6 1HZ LYS 6 -12.268 -8.367 3.416
57 HZ3 LYS 6 2HZ LYS 6 -12.940 -8.007 4.934
58 H HIS 7 H HIS 7 -8.041 -12.557 6.228
59 HA HIS 7 HA HIS 7 -7.843 -14.992 4.595
60 HB2 HIS 7 2HB HIS 7 -8.453 -12.265 3.418
61 HB3 HIS 7 3HB HIS 7 -7.646 -13.502 2.460
62 HD1 HIS 7 HD1 HIS 7 -9.198 -15.993 3.451
63 HD2 HIS 7 HD2 HIS 7 -11.025 -12.413 2.343
64 HE1 HIS 7 HE1 HIS 7 -11.585 -16.569 2.829
65 HA PRO 8 HA PRO 8 -3.468 -14.362 5.100
66 HB2 PRO 8 2HB PRO 8 -3.144 -14.445 2.111
67 HB3 PRO 8 3HB PRO 8 -2.308 -15.391 3.356
68 HG2 PRO 8 2HG PRO 8 -4.317 -16.393 1.797
69 HG3 PRO 8 3HG PRO 8 -3.950 -16.990 3.425
70 HD2 PRO 8 2HD PRO 8 -6.296 -15.427 2.530
71 HD3 PRO 8 3HD PRO 8 -6.065 -16.345 4.030
72 H LEU 9 H LEU 9 -2.188 -12.550 5.282
73 HA LEU 9 HA LEU 9 -3.148 -9.993 4.414
74 HB2 LEU 9 2HB LEU 9 -0.305 -10.684 5.220
75 HB3 LEU 9 3HB LEU 9 -1.088 -9.109 5.324
76 HG LEU 9 HG LEU 9 -1.902 -11.584 6.881
77 HD11 LEU 9 1HD1 LEU 9 0.247 -10.643 7.617
78 HD12 LEU 9 2HD1 LEU 9 -1.005 -10.352 8.824
79 HD13 LEU 9 3HD1 LEU 9 -0.489 -9.046 7.756
80 HD21 LEU 9 3HD2 LEU 9 -3.877 -10.286 6.629
81 HD22 LEU 9 1HD2 LEU 9 -3.002 -8.758 6.753
82 HD23 LEU 9 2HD2 LEU 9 -3.236 -9.765 8.182
83 H GLN 10 H GLN 10 -0.633 -12.159 3.146
84 HA GLN 10 HA GLN 10 0.392 -10.437 1.134
85 HB2 GLN 10 2HB GLN 10 1.375 -12.653 1.806
86 HB3 GLN 10 3HB GLN 10 0.055 -13.448 0.947
87 HG2 GLN 10 2HG GLN 10 0.744 -12.403 -1.154
88 HG3 GLN 10 3HG GLN 10 2.018 -11.513 -0.318
89 HE21 GLN 10 1HE2 GLN 10 3.926 -12.499 -1.069
90 HE22 GLN 10 2HE2 GLN 10 4.230 -14.168 -0.998
91 H ASP 11 H ASP 11 -2.431 -12.586 1.149
92 HA ASP 11 HA ASP 11 -3.094 -12.332 -1.615
93 HB2 ASP 11 2HB ASP 11 -4.123 -13.978 -0.024
94 HB3 ASP 11 3HB ASP 11 -5.015 -12.647 0.713
95 H MET 12 H MET 12 -3.997 -10.358 1.226
96 HA MET 12 HA MET 12 -5.766 -8.600 -0.189
97 HB2 MET 12 2HB MET 12 -4.095 -8.264 2.323
98 HB3 MET 12 3HB MET 12 -5.168 -6.993 1.738
99 HG2 MET 12 2HG MET 12 -6.100 -9.820 2.294
100 HG3 MET 12 3HG MET 12 -6.184 -8.525 3.484
101 HE1 MET 12 3HE MET 12 -8.293 -7.331 3.853
102 HE2 MET 12 1HE MET 12 -9.048 -6.379 2.568
103 HE3 MET 12 2HE MET 12 -7.337 -6.172 2.931
104 H PHE 13 H PHE 13 -2.263 -8.370 0.510
105 HA PHE 13 HA PHE 13 -1.947 -5.835 -0.832
106 HB2 PHE 13 2HB PHE 13 0.062 -8.000 -0.132
107 HB3 PHE 13 3HB PHE 13 0.507 -6.435 -0.805
108 HD1 PHE 13 HD1 PHE 13 -0.597 -4.342 0.424
109 HD2 PHE 13 HD2 PHE 13 0.049 -8.184 2.241
110 HE1 PHE 13 HE1 PHE 13 -0.653 -3.295 2.664
111 HE2 PHE 13 HE2 PHE 13 -0.018 -7.132 4.482
112 HZ PHE 13 HZ PHE 13 -0.367 -4.687 4.694
113 H THR 14 H THR 14 -1.400 -9.208 -1.878
114 HA THR 14 HA THR 14 -0.393 -8.554 -4.463
115 HB THR 14 HB THR 14 -2.013 -11.007 -3.717
116 HG1 THR 14 HG1 THR 14 -0.439 -11.267 -2.359
117 HG21 THR 14 3HG2 THR 14 0.103 -10.470 -5.819
118 HG22 THR 14 1HG2 THR 14 -1.603 -10.812 -6.105
119 HG23 THR 14 2HG2 THR 14 -0.550 -12.064 -5.446
120 H SER 15 H SER 15 -3.724 -9.273 -3.391
121 HA SER 15 HA SER 15 -4.885 -8.958 -6.000
122 HB2 SER 15 2HB SER 15 -7.029 -8.787 -4.773
123 HB3 SER 15 3HB SER 15 -6.057 -10.135 -4.194
124 HG SER 15 HG SER 15 -6.441 -7.587 -3.020
125 H ALA 16 H ALA 16 -4.357 -6.682 -3.306
126 HA ALA 16 HA ALA 16 -5.786 -4.520 -4.612
127 HB1 ALA 16 3HB ALA 16 -4.901 -3.139 -2.814
128 HB2 ALA 16 1HB ALA 16 -3.746 -4.399 -2.380
129 HB3 ALA 16 2HB ALA 16 -5.473 -4.668 -2.150
130 H ILE 17 H ILE 17 -2.301 -5.200 -4.118
131 HA ILE 17 HA ILE 17 -1.384 -2.888 -5.511
132 HB ILE 17 HB ILE 17 -0.094 -5.609 -5.105
133 HG12 ILE 17 2HG1 ILE 17 0.441 -2.966 -3.696
134 HG13 ILE 17 3HG1 ILE 17 -0.695 -4.164 -3.078
135 HG21 ILE 17 1HG2 ILE 17 2.061 -4.296 -5.545
136 HG22 ILE 17 2HG2 ILE 17 1.043 -3.007 -6.186
137 HG23 ILE 17 3HG2 ILE 17 1.058 -4.589 -6.963
138 HD11 ILE 17 3HD1 ILE 17 1.137 -5.852 -3.058
139 HD12 ILE 17 1HD1 ILE 17 1.476 -4.479 -2.005
140 HD13 ILE 17 2HD1 ILE 17 2.264 -4.599 -3.578
141 H GLU 18 H GLU 18 -1.996 -6.207 -6.662
142 HA GLU 18 HA GLU 18 -1.213 -5.691 -9.372
143 HB2 GLU 18 2HB GLU 18 -1.475 -7.966 -8.277
144 HB3 GLU 18 3HB GLU 18 -3.219 -7.753 -8.407
145 HG2 GLU 18 2HG GLU 18 -2.531 -9.023 -10.327
146 HG3 GLU 18 3HG GLU 18 -2.887 -7.397 -10.903
147 H ALA 19 H ALA 19 -4.239 -5.247 -7.615
148 HA ALA 19 HA ALA 19 -5.943 -4.932 -9.893
149 HB1 ALA 19 3HB ALA 19 -6.887 -5.248 -7.679
150 HB2 ALA 19 1HB ALA 19 -7.429 -3.694 -8.311
151 HB3 ALA 19 2HB ALA 19 -6.142 -3.754 -7.108
152 H VAL 20 H VAL 20 -3.976 -2.575 -8.068
153 HA VAL 20 HA VAL 20 -4.514 -0.537 -10.227
154 HB VAL 20 HB VAL 20 -3.983 1.171 -8.466
155 HG11 VAL 20 1HG1 VAL 20 -6.176 0.918 -7.268
156 HG12 VAL 20 2HG1 VAL 20 -6.323 -0.695 -7.963
157 HG13 VAL 20 3HG1 VAL 20 -6.308 0.719 -9.016
158 HG21 VAL 20 3HG2 VAL 20 -4.361 -1.102 -6.495
159 HG22 VAL 20 1HG2 VAL 20 -3.899 0.561 -6.146
160 HG23 VAL 20 2HG2 VAL 20 -2.768 -0.514 -6.964
161 H ALA 21 H ALA 21 -2.329 -2.694 -9.925
162 HA ALA 21 HA ALA 21 0.137 -1.458 -9.263
163 HB1 ALA 21 3HB ALA 21 1.047 -3.188 -11.029
164 HB2 ALA 21 1HB ALA 21 -0.628 -3.734 -11.099
165 HB3 ALA 21 2HB ALA 21 0.262 -3.804 -9.580
166 H ARG 22 H ARG 22 -1.800 -1.332 -12.211
167 HA ARG 22 HA ARG 22 -1.533 -0.078 -14.175
168 HB2 ARG 22 2HB ARG 22 -0.181 1.720 -12.136
169 HB3 ARG 22 3HB ARG 22 -0.519 2.216 -13.793
170 HG2 ARG 22 2HG ARG 22 -2.931 1.761 -13.420
171 HG3 ARG 22 3HG ARG 22 -2.581 1.324 -11.749
172 HD2 ARG 22 2HD ARG 22 -1.515 3.990 -12.543
173 HD3 ARG 22 3HD ARG 22 -3.265 3.882 -12.568
174 HE ARG 22 HE ARG 22 -2.987 2.955 -10.143
175 HH11 ARG 22 1HH2 ARG 22 -0.665 5.149 -11.552
176 HH12 ARG 22 2HH2 ARG 22 -0.502 6.085 -10.106
177 HH21 ARG 22 1HH1 ARG 22 -2.748 4.219 -8.268
178 HH22 ARG 22 2HH1 ARG 22 -1.659 5.567 -8.277
179 H ASP 23 H ASP 23 -0.163 -1.341 -15.471
180 HA ASP 23 HA ASP 23 1.820 -2.012 -16.541
181 HB2 ASP 23 2HB ASP 23 2.434 0.875 -15.828
182 HB3 ASP 23 3HB ASP 23 3.438 -0.098 -16.905
183 H SER 24 H SER 24 3.460 0.188 -14.293
184 HA SER 24 HA SER 24 5.455 -1.753 -13.621
185 HB2 SER 24 2HB SER 24 6.358 -0.076 -12.225
186 HB3 SER 24 3HB SER 24 5.470 0.868 -13.421
187 HG SER 24 HG SER 24 3.931 1.285 -11.965
188 H GLY 25 H GLY 25 5.802 -2.720 -11.501
189 HA2 GLY 25 2HA GLY 25 3.343 -3.846 -10.369
190 HA3 GLY 25 3HA GLY 25 4.991 -4.244 -9.886
191 H TRP 26 H TRP 26 4.811 -0.934 -9.905
192 HA TRP 26 HA TRP 26 4.650 -0.833 -6.957
193 HB2 TRP 26 2HB TRP 26 5.155 1.313 -9.046
194 HB3 TRP 26 3HB TRP 26 5.203 1.583 -7.305
195 HD1 TRP 26 HD1 TRP 26 7.348 0.553 -10.126
196 HE1 TRP 26 HE1 TRP 26 9.598 -0.367 -9.269
197 HE3 TRP 26 HE3 TRP 26 6.251 0.021 -5.167
198 HZ2 TRP 26 HZ2 TRP 26 10.776 -1.220 -6.806
199 HZ3 TRP 26 HZ3 TRP 26 7.953 -0.846 -3.590
200 HH2 TRP 26 HH2 TRP 26 10.214 -1.466 -4.401
201 H ALA 27 H ALA 27 3.080 0.368 -5.810
202 HA ALA 27 HA ALA 27 0.772 1.513 -7.315
203 HB1 ALA 27 3HB ALA 27 -0.797 0.235 -5.821
204 HB2 ALA 27 1HB ALA 27 0.578 -0.712 -5.260
205 HB3 ALA 27 2HB ALA 27 0.087 -0.789 -6.952
206 H GLU 28 H GLU 28 -0.287 3.136 -6.141
207 HA GLU 28 HA GLU 28 1.229 4.393 -4.030
208 HB2 GLU 28 2HB GLU 28 -1.578 4.888 -5.068
209 HB3 GLU 28 3HB GLU 28 -0.772 5.917 -3.884
210 HG2 GLU 28 2HG GLU 28 1.021 6.403 -5.468
211 HG3 GLU 28 3HG GLU 28 0.315 5.298 -6.646
212 H LEU 29 H LEU 29 1.063 4.124 -1.852
213 HA LEU 29 HA LEU 29 -0.273 1.938 -0.701
214 HB2 LEU 29 2HB LEU 29 1.610 3.286 0.332
215 HB3 LEU 29 3HB LEU 29 0.423 4.526 0.718
216 HG LEU 29 HG LEU 29 -0.869 2.804 2.030
217 HD11 LEU 29 1HD1 LEU 29 0.711 0.791 2.735
218 HD12 LEU 29 2HD1 LEU 29 1.469 1.088 1.174
219 HD13 LEU 29 3HD1 LEU 29 -0.244 0.680 1.262
220 HD21 LEU 29 3HD2 LEU 29 2.014 3.260 2.872
221 HD22 LEU 29 1HD2 LEU 29 0.690 2.824 3.954
222 HD23 LEU 29 2HD2 LEU 29 0.678 4.383 3.129
223 H SER 30 H SER 30 -1.347 5.322 -1.011
224 HA SER 30 HA SER 30 -3.713 5.127 0.551
225 HB2 SER 30 2HB SER 30 -3.220 6.766 -1.955
226 HB3 SER 30 3HB SER 30 -4.541 7.024 -0.818
227 HG SER 30 HG SER 30 -2.185 6.869 0.478
228 H ALA 31 H ALA 31 -3.173 4.447 -2.912
229 HA ALA 31 HA ALA 31 -5.870 3.795 -3.558
230 HB1 ALA 31 3HB ALA 31 -4.050 4.130 -5.240
231 HB2 ALA 31 1HB ALA 31 -4.951 2.636 -5.504
232 HB3 ALA 31 2HB ALA 31 -3.357 2.585 -4.751
233 H VAL 32 H VAL 32 -3.258 1.841 -2.177
234 HA VAL 32 HA VAL 32 -4.544 -0.701 -2.389
235 HB VAL 32 HB VAL 32 -2.577 0.336 -0.321
236 HG11 VAL 32 1HG1 VAL 32 -2.036 -2.135 -0.069
237 HG12 VAL 32 2HG1 VAL 32 -3.516 -2.471 -0.969
238 HG13 VAL 32 3HG1 VAL 32 -3.598 -1.643 0.585
239 HG21 VAL 32 3HG2 VAL 32 -2.084 -1.362 -2.787
240 HG22 VAL 32 1HG2 VAL 32 -0.874 -0.633 -1.731
241 HG23 VAL 32 2HG2 VAL 32 -1.875 0.391 -2.756
242 H GLY 33 H GLY 33 -4.511 1.673 0.288
243 HA2 GLY 33 2HA GLY 33 -6.231 0.184 2.014
244 HA3 GLY 33 3HA GLY 33 -5.988 1.929 2.100
245 H SER 34 H SER 34 -7.009 2.807 -0.307
246 HA SER 34 HA SER 34 -9.825 2.767 0.160
247 HB2 SER 34 2HB SER 34 -8.910 4.624 -1.048
248 HB3 SER 34 3HB SER 34 -8.175 3.565 -2.247
249 HG SER 34 HG SER 34 -10.829 3.108 -2.032
250 H TYR 35 H TYR 35 -7.836 1.038 -2.249
251 HA TYR 35 HA TYR 35 -9.978 -0.273 -3.581
252 HB2 TYR 35 2HB TYR 35 -7.656 -0.254 -4.428
253 HB3 TYR 35 3HB TYR 35 -7.162 -1.284 -3.086
254 HD1 TYR 35 HD2 TYR 35 -9.159 -1.120 -6.201
255 HD2 TYR 35 HD1 TYR 35 -7.713 -3.659 -3.049
256 HE1 TYR 35 HE2 TYR 35 -9.823 -3.121 -7.504
257 HE2 TYR 35 HE1 TYR 35 -8.377 -5.659 -4.357
258 HH TYR 35 HH TYR 35 -8.738 -5.947 -7.215
259 H LEU 36 H LEU 36 -7.982 -1.380 -0.830
260 HA LEU 36 HA LEU 36 -9.429 -3.839 -0.463
261 HB2 LEU 36 2HB LEU 36 -7.753 -2.193 1.460
262 HB3 LEU 36 3HB LEU 36 -8.374 -3.798 1.833
263 HG LEU 36 HG LEU 36 -6.589 -3.171 -0.546
264 HD11 LEU 36 1HD1 LEU 36 -4.772 -4.188 0.748
265 HD12 LEU 36 2HD1 LEU 36 -5.863 -4.453 2.110
266 HD13 LEU 36 3HD1 LEU 36 -5.439 -2.810 1.626
267 HD21 LEU 36 3HD2 LEU 36 -6.277 -5.821 -0.206
268 HD22 LEU 36 1HD2 LEU 36 -7.615 -5.177 -1.148
269 HD23 LEU 36 2HD2 LEU 36 -7.877 -5.689 0.516
270 H ALA 37 H ALA 37 -9.813 -0.576 0.911
271 HA ALA 37 HA ALA 37 -11.778 -1.202 2.854
272 HB1 ALA 37 3HB ALA 37 -10.696 1.015 2.655
273 HB2 ALA 37 1HB ALA 37 -12.453 1.158 2.674
274 HB3 ALA 37 2HB ALA 37 -11.572 1.302 1.153
275 H LYS 38 H LYS 38 -12.246 -0.224 -0.567
276 HA LYS 38 HA LYS 38 -15.090 -0.450 -0.529
277 HB2 LYS 38 2HB LYS 38 -13.114 -0.780 -2.798
278 HB3 LYS 38 3HB LYS 38 -14.860 -0.698 -3.026
279 HG2 LYS 38 2HG LYS 38 -14.850 1.528 -1.869
280 HG3 LYS 38 3HG LYS 38 -13.089 1.457 -1.830
281 HD2 LYS 38 2HD LYS 38 -14.751 1.286 -4.366
282 HD3 LYS 38 3HD LYS 38 -13.999 2.766 -3.777
283 HE2 LYS 38 2HE LYS 38 -12.377 1.994 -5.292
284 HE3 LYS 38 3HE LYS 38 -11.784 1.279 -3.795
285 HZ1 LYS 38 3HZ LYS 38 -12.117 -0.736 -4.618
286 HZ2 LYS 38 1HZ LYS 38 -12.511 -0.036 -6.113
287 HZ3 LYS 38 2HZ LYS 38 -13.737 -0.388 -4.991
288 H ASN 39 H ASN 39 -12.548 -2.835 -1.279
289 HA ASN 39 HA ASN 39 -14.331 -4.938 -2.069
290 HB2 ASN 39 2HB ASN 39 -11.544 -5.010 -0.876
291 HB3 ASN 39 3HB ASN 39 -12.379 -6.442 -1.474
292 HD21 ASN 39 1HD2 ASN 39 -13.492 -4.064 -3.476
293 HD22 ASN 39 2HD2 ASN 39 -12.328 -4.149 -4.707
294 H ASP 40 H ASP 40 -12.993 -3.996 1.091
295 HA ASP 40 HA ASP 40 -14.378 -6.202 2.454
296 HB2 ASP 40 2HB ASP 40 -12.690 -3.869 3.398
297 HB3 ASP 40 3HB ASP 40 -13.484 -4.958 4.531
298 HA PRO 41 HA PRO 41 -18.293 -4.176 3.250
299 HB2 PRO 41 2HB PRO 41 -17.769 -4.529 6.199
300 HB3 PRO 41 3HB PRO 41 -19.198 -4.989 5.252
301 HG2 PRO 41 2HG PRO 41 -17.334 -6.786 6.084
302 HG3 PRO 41 3HG PRO 41 -18.283 -6.994 4.601
303 HD2 PRO 41 2HD PRO 41 -15.394 -6.351 4.871
304 HD3 PRO 41 3HD PRO 41 -16.279 -6.996 3.474
305 H SER 42 H SER 42 -15.695 -3.324 5.526
306 HA SER 42 HA SER 42 -16.164 -0.429 5.009
307 HB2 SER 42 2HB SER 42 -16.239 -1.749 7.738
308 HB3 SER 42 3HB SER 42 -16.006 -0.017 7.509
309 HG SER 42 HG SER 42 -18.207 -1.596 6.648
310 H PHE 43 H PHE 43 -14.349 -1.626 7.718
311 HA PHE 43 HA PHE 43 -12.063 -1.628 8.183
312 HB2 PHE 43 2HB PHE 43 -12.039 -3.338 6.343
313 HB3 PHE 43 3HB PHE 43 -11.702 -2.048 5.196
314 HD1 PHE 43 HD2 PHE 43 -10.448 -3.363 8.486
315 HD2 PHE 43 HD1 PHE 43 -9.423 -1.579 4.707
316 HE1 PHE 43 HE2 PHE 43 -8.042 -3.545 9.045
317 HE2 PHE 43 HE1 PHE 43 -7.022 -1.766 5.274
318 HZ PHE 43 HZ PHE 43 -6.332 -2.752 7.441
319 H ASP 44 H ASP 44 -10.425 -0.139 8.312
320 HA ASP 44 HA ASP 44 -10.280 2.171 6.476
321 HB2 ASP 44 2HB ASP 44 -11.250 2.451 9.326
322 HB3 ASP 44 3HB ASP 44 -10.686 3.808 8.352
323 HA PRO 45 HA PRO 45 -6.334 1.155 8.641
324 HB2 PRO 45 2HB PRO 45 -4.614 1.828 6.572
325 HB3 PRO 45 3HB PRO 45 -5.360 0.236 6.753
326 HG2 PRO 45 2HG PRO 45 -6.085 2.442 4.904
327 HG3 PRO 45 3HG PRO 45 -6.209 0.688 4.676
328 HD2 PRO 45 2HD PRO 45 -8.355 2.359 5.306
329 HD3 PRO 45 3HD PRO 45 -8.346 0.604 5.585
330 H ARG 46 H ARG 46 -7.436 3.995 7.007
331 HA ARG 46 HA ARG 46 -5.391 5.824 7.882
332 HB2 ARG 46 2HB ARG 46 -8.295 6.211 7.096
333 HB3 ARG 46 3HB ARG 46 -7.235 7.562 7.502
334 HG2 ARG 46 2HG ARG 46 -5.673 6.890 5.721
335 HG3 ARG 46 3HG ARG 46 -6.707 5.521 5.318
336 HD2 ARG 46 2HD ARG 46 -7.955 8.262 5.305
337 HD3 ARG 46 3HD ARG 46 -6.899 7.830 3.963
338 HE ARG 46 HE ARG 46 -8.513 5.670 3.979
339 HH11 ARG 46 1HH2 ARG 46 -9.325 9.016 4.436
340 HH12 ARG 46 2HH2 ARG 46 -10.834 8.883 3.598
341 HH21 ARG 46 1HH1 ARG 46 -10.450 5.530 2.842
342 HH22 ARG 46 2HH1 ARG 46 -11.464 6.927 2.695
343 H ASN 47 H ASN 47 -8.642 5.121 9.226
344 HA ASN 47 HA ASN 47 -8.354 6.772 11.526
345 HB2 ASN 47 2HB ASN 47 -10.511 5.847 10.693
346 HB3 ASN 47 3HB ASN 47 -10.008 4.250 11.248
347 HD21 ASN 47 1HD2 ASN 47 -11.652 4.097 12.910
348 HD22 ASN 47 2HD2 ASN 47 -11.622 5.080 14.294
349 H TRP 48 H TRP 48 -6.774 3.848 10.763
350 HA TRP 48 HA TRP 48 -6.482 2.909 13.545
351 HB2 TRP 48 2HB TRP 48 -5.577 2.036 10.835
352 HB3 TRP 48 3HB TRP 48 -4.524 1.584 12.157
353 HD1 TRP 48 HD1 TRP 48 -8.406 1.586 11.970
354 HE1 TRP 48 HE1 TRP 48 -9.205 -0.795 12.571
355 HE3 TRP 48 HE3 TRP 48 -3.901 -0.706 12.644
356 HZ2 TRP 48 HZ2 TRP 48 -8.065 -3.348 13.232
357 HZ3 TRP 48 HZ3 TRP 48 -3.759 -3.104 13.223
358 HH2 TRP 48 HH2 TRP 48 -5.845 -4.430 13.540
359 H GLY 49 H GLY 49 -5.291 5.592 12.010
360 HA2 GLY 49 2HA GLY 49 -3.682 6.936 13.397
361 HA3 GLY 49 3HA GLY 49 -2.665 5.500 13.494
362 H HIS 50 H HIS 50 -1.622 7.869 12.507
363 HA HIS 50 HA HIS 50 -1.755 8.019 9.610
364 HB2 HIS 50 2HB HIS 50 -1.108 9.946 11.065
365 HB3 HIS 50 3HB HIS 50 0.376 9.091 11.486
366 HD1 HIS 50 HD1 HIS 50 1.994 8.507 9.395
367 HD2 HIS 50 HD2 HIS 50 -0.958 11.359 8.668
368 HE1 HIS 50 HE1 HIS 50 2.674 9.716 7.277
369 H GLY 51 H GLY 51 -0.638 6.798 8.155
370 HA2 GLY 51 2HA GLY 51 1.164 5.523 7.280
371 HA3 GLY 51 3HA GLY 51 1.962 5.587 8.854
372 H ARG 52 H ARG 52 1.339 4.070 10.467
373 HA ARG 52 HA ARG 52 0.792 1.899 11.182
374 HB2 ARG 52 2HB ARG 52 -1.411 2.909 11.339
375 HB3 ARG 52 3HB ARG 52 -1.686 2.660 9.620
376 HG2 ARG 52 2HG ARG 52 -1.022 0.084 10.907
377 HG3 ARG 52 3HG ARG 52 -2.340 0.850 11.753
378 HD2 ARG 52 2HD ARG 52 -3.463 1.163 9.448
379 HD3 ARG 52 3HD ARG 52 -2.236 0.058 8.835
380 HE ARG 52 HE ARG 52 -3.612 -1.004 11.133
381 HH11 ARG 52 1HH2 ARG 52 -3.524 -0.675 7.731
382 HH12 ARG 52 2HH2 ARG 52 -4.750 -1.862 7.450
383 HH21 ARG 52 1HH1 ARG 52 -5.247 -2.515 10.819
384 HH22 ARG 52 2HH1 ARG 52 -5.738 -2.905 9.204
385 H LEU 53 H LEU 53 -1.014 1.684 8.151
386 HA LEU 53 HA LEU 53 -0.263 -0.900 7.513
387 HB2 LEU 53 2HB LEU 53 -2.011 0.467 6.325
388 HB3 LEU 53 3HB LEU 53 -0.717 1.325 5.497
389 HG LEU 53 HG LEU 53 0.066 -0.837 4.525
390 HD11 LEU 53 1HD1 LEU 53 -1.834 -2.700 4.657
391 HD12 LEU 53 2HD1 LEU 53 -2.230 -1.907 6.179
392 HD13 LEU 53 3HD1 LEU 53 -0.621 -2.586 5.924
393 HD21 LEU 53 3HD2 LEU 53 -1.585 0.693 3.367
394 HD22 LEU 53 1HD2 LEU 53 -2.880 -0.327 3.997
395 HD23 LEU 53 2HD2 LEU 53 -1.701 -0.995 2.870
396 H SER 54 H SER 54 1.456 2.104 6.863
397 HA SER 54 HA SER 54 3.534 0.996 5.200
398 HB2 SER 54 2HB SER 54 3.292 3.371 5.171
399 HB3 SER 54 3HB SER 54 3.336 3.470 6.928
400 HG SER 54 HG SER 54 5.423 3.564 6.807
401 H GLN 55 H GLN 55 3.159 1.367 8.713
402 HA GLN 55 HA GLN 55 5.882 0.350 9.245
403 HB2 GLN 55 2HB GLN 55 4.847 2.090 10.687
404 HB3 GLN 55 3HB GLN 55 3.602 0.934 11.163
405 HG2 GLN 55 2HG GLN 55 5.259 -0.521 12.182
406 HG3 GLN 55 3HG GLN 55 6.574 0.482 11.567
407 HE21 GLN 55 1HE2 GLN 55 6.221 -0.025 14.384
408 HE22 GLN 55 2HE2 GLN 55 5.818 1.442 15.136
409 H MET 56 H MET 56 2.569 -0.884 9.290
410 HA MET 56 HA MET 56 3.125 -3.294 10.732
411 HB2 MET 56 2HB MET 56 0.951 -2.579 8.734
412 HB3 MET 56 3HB MET 56 1.019 -4.154 9.523
413 HG2 MET 56 2HG MET 56 0.915 -3.070 11.729
414 HG3 MET 56 3HG MET 56 0.875 -1.489 10.954
415 HE1 MET 56 3HE MET 56 -2.311 -4.731 11.144
416 HE2 MET 56 1HE MET 56 -0.563 -4.871 11.370
417 HE3 MET 56 2HE MET 56 -1.249 -4.879 9.749
418 H VAL 57 H VAL 57 3.306 -2.487 7.267
419 HA VAL 57 HA VAL 57 3.926 -5.173 6.427
420 HB VAL 57 HB VAL 57 4.758 -4.075 4.345
421 HG11 VAL 57 1HG1 VAL 57 2.107 -3.131 5.476
422 HG12 VAL 57 2HG1 VAL 57 2.395 -4.567 4.492
423 HG13 VAL 57 3HG1 VAL 57 2.562 -2.963 3.779
424 HG21 VAL 57 3HG2 VAL 57 4.187 -1.564 5.918
425 HG22 VAL 57 1HG2 VAL 57 4.481 -1.597 4.187
426 HG23 VAL 57 2HG2 VAL 57 5.750 -2.077 5.312
427 H LYS 58 H LYS 58 5.853 -2.571 7.760
428 HA LYS 58 HA LYS 58 8.422 -3.316 6.861
429 HB2 LYS 58 2HB LYS 58 7.863 -1.231 8.124
430 HB3 LYS 58 3HB LYS 58 7.707 -2.199 9.588
431 HG2 LYS 58 2HG LYS 58 10.051 -2.897 9.418
432 HG3 LYS 58 3HG LYS 58 10.219 -2.022 7.895
433 HD2 LYS 58 2HD LYS 58 9.704 0.099 9.066
434 HD3 LYS 58 3HD LYS 58 9.570 -0.782 10.588
435 HE2 LYS 58 2HE LYS 58 12.054 -0.628 8.855
436 HE3 LYS 58 3HE LYS 58 11.800 0.246 10.364
437 HZ1 LYS 58 3HZ LYS 58 11.345 -2.106 11.298
438 HZ2 LYS 58 1HZ LYS 58 12.947 -1.601 11.061
439 HZ3 LYS 58 2HZ LYS 58 12.209 -2.636 9.934
440 H LYS 59 H LYS 59 6.581 -4.552 9.661
441 HA LYS 59 HA LYS 59 8.773 -6.247 10.566
442 HB2 LYS 59 2HB LYS 59 6.893 -7.316 11.969
443 HB3 LYS 59 3HB LYS 59 7.208 -5.602 12.242
444 HG2 LYS 59 2HG LYS 59 5.323 -4.947 10.914
445 HG3 LYS 59 3HG LYS 59 5.103 -6.583 10.298
446 HD2 LYS 59 2HD LYS 59 3.433 -6.137 12.017
447 HD3 LYS 59 3HD LYS 59 4.565 -7.359 12.594
448 HE2 LYS 59 2HE LYS 59 3.953 -5.466 14.242
449 HE3 LYS 59 3HE LYS 59 5.668 -5.813 14.040
450 HZ1 LYS 59 3HZ LYS 59 5.807 -3.998 12.448
451 HZ2 LYS 59 1HZ LYS 59 5.235 -3.443 13.946
452 HZ3 LYS 59 2HZ LYS 59 4.154 -3.665 12.654
453 H LEU 60 H LEU 60 6.887 -6.472 7.841
454 HA LEU 60 HA LEU 60 6.753 -9.480 7.871
455 HB2 LEU 60 2HB LEU 60 5.610 -7.583 5.804
456 HB3 LEU 60 3HB LEU 60 5.230 -9.288 6.023
457 HG LEU 60 HG LEU 60 4.576 -7.022 7.929
458 HD11 LEU 60 1HD1 LEU 60 2.689 -8.902 6.484
459 HD12 LEU 60 2HD1 LEU 60 3.171 -7.342 5.818
460 HD13 LEU 60 3HD1 LEU 60 2.291 -7.413 7.342
461 HD21 LEU 60 3HD2 LEU 60 3.281 -8.925 9.129
462 HD22 LEU 60 1HD2 LEU 60 5.028 -8.874 9.353
463 HD23 LEU 60 2HD2 LEU 60 4.317 -10.029 8.225
464 H ASP 61 H ASP 61 8.534 -10.432 7.060
465 HA ASP 61 HA ASP 61 10.529 -9.081 5.516
466 HB2 ASP 61 2HB ASP 61 10.984 -11.065 6.913
467 HB3 ASP 61 3HB ASP 61 10.033 -12.058 5.810
468 H PHE 62 H PHE 62 7.929 -11.333 4.505
469 HA PHE 62 HA PHE 62 8.783 -11.378 1.741
470 HB2 PHE 62 2HB PHE 62 6.727 -12.562 1.297
471 HB3 PHE 62 3HB PHE 62 7.352 -13.138 2.837
472 HD1 PHE 62 HD2 PHE 62 6.289 -12.453 4.975
473 HD2 PHE 62 HD1 PHE 62 4.660 -11.262 1.176
474 HE1 PHE 62 HE2 PHE 62 4.165 -11.806 6.081
475 HE2 PHE 62 HE1 PHE 62 2.545 -10.611 2.287
476 HZ PHE 62 HZ PHE 62 2.294 -10.885 4.737
477 H LEU 63 H LEU 63 8.010 -8.706 3.220
478 HA LEU 63 HA LEU 63 6.390 -7.599 0.942
479 HB2 LEU 63 2HB LEU 63 5.263 -7.947 3.313
480 HB3 LEU 63 3HB LEU 63 6.192 -6.532 3.767
481 HG LEU 63 HG LEU 63 3.953 -5.882 3.102
482 HD11 LEU 63 1HD1 LEU 63 6.093 -4.536 2.415
483 HD12 LEU 63 2HD1 LEU 63 4.534 -4.088 1.739
484 HD13 LEU 63 3HD1 LEU 63 5.670 -5.033 0.774
485 HD21 LEU 63 3HD2 LEU 63 4.331 -6.736 0.239
486 HD22 LEU 63 1HD2 LEU 63 2.852 -6.527 1.174
487 HD23 LEU 63 2HD2 LEU 63 3.841 -7.963 1.409
488 H THR 64 H THR 64 7.641 -6.196 -0.151
489 HA THR 64 HA THR 64 9.990 -4.937 1.141
490 HB THR 64 HB THR 64 8.973 -4.689 -1.709
491 HG1 THR 64 HG1 THR 64 9.538 -6.734 -1.640
492 HG21 THR 64 3HG2 THR 64 10.518 -2.905 -1.088
493 HG22 THR 64 1HG2 THR 64 11.351 -4.050 -2.140
494 HG23 THR 64 2HG2 THR 64 11.639 -4.080 -0.401
495 H VAL 65 H VAL 65 10.204 -2.701 1.459
496 HA VAL 65 HA VAL 65 7.704 -1.039 1.128
497 HB VAL 65 HB VAL 65 9.870 -0.808 3.239
498 HG11 VAL 65 1HG1 VAL 65 7.237 0.631 2.801
499 HG12 VAL 65 2HG1 VAL 65 8.850 1.343 2.794
500 HG13 VAL 65 3HG1 VAL 65 8.166 0.725 4.297
501 HG21 VAL 65 3HG2 VAL 65 8.027 -1.597 4.765
502 HG22 VAL 65 1HG2 VAL 65 8.578 -2.823 3.623
503 HG23 VAL 65 2HG2 VAL 65 7.068 -1.963 3.329
504 H GLN 66 H GLN 66 7.919 0.746 -0.072
505 HA GLN 66 HA GLN 66 10.572 2.062 -0.403
506 HB2 GLN 66 2HB GLN 66 10.322 0.417 -2.283
507 HB3 GLN 66 3HB GLN 66 8.834 1.239 -2.753
508 HG2 GLN 66 2HG GLN 66 10.045 3.311 -3.159
509 HG3 GLN 66 3HG GLN 66 11.538 2.595 -2.549
510 HE21 GLN 66 1HE2 GLN 66 12.889 1.879 -4.192
511 HE22 GLN 66 2HE2 GLN 66 12.375 1.321 -5.710
512 H GLU 67 H GLU 67 10.347 4.272 -1.057
513 HA GLU 67 HA GLU 67 7.547 5.380 -0.960
514 HB2 GLU 67 2HB GLU 67 10.045 6.564 0.303
515 HB3 GLU 67 3HB GLU 67 8.436 7.282 0.308
516 HG2 GLU 67 2HG GLU 67 8.515 6.223 2.422
517 HG3 GLU 67 3HG GLU 67 7.673 5.032 1.433
518 H SER 68 H SER 68 7.126 6.337 -2.862
519 HA SER 68 HA SER 68 9.297 7.146 -4.662
520 HB2 SER 68 2HB SER 68 7.372 7.944 -6.093
521 HB3 SER 68 3HB SER 68 7.297 6.237 -5.669
522 HG SER 68 HG SER 68 5.994 7.088 -3.795
523 H ARG 69 H ARG 69 9.628 9.354 -5.355
524 HA ARG 69 HA ARG 69 9.031 11.359 -3.223
525 HB2 ARG 69 2HB ARG 69 10.855 11.470 -5.632
526 HB3 ARG 69 3HB ARG 69 10.705 12.729 -4.407
527 HG2 ARG 69 2HG ARG 69 11.399 11.004 -2.681
528 HG3 ARG 69 3HG ARG 69 11.750 9.902 -4.016
529 HD2 ARG 69 2HD ARG 69 13.112 12.122 -4.883
530 HD3 ARG 69 3HD ARG 69 13.230 12.342 -3.142
531 HE ARG 69 HE ARG 69 14.044 9.728 -4.343
532 HH11 ARG 69 1HH2 ARG 69 14.827 12.575 -2.495
533 HH12 ARG 69 2HH2 ARG 69 16.512 12.200 -2.404
534 HH21 ARG 69 1HH1 ARG 69 16.279 9.281 -4.231
535 HH22 ARG 69 2HH1 ARG 69 17.322 10.364 -3.366
536 H ASN 70 H ASN 70 7.615 13.021 -3.598
537 HA ASN 70 HA ASN 70 6.819 13.727 -6.374
538 HB2 ASN 70 2HB ASN 70 4.885 12.725 -4.260
539 HB3 ASN 70 3HB ASN 70 4.401 13.490 -5.774
540 HD21 ASN 70 1HD2 ASN 70 4.832 10.480 -4.403
541 HD22 ASN 70 2HD2 ASN 70 5.151 9.581 -5.806
542 H GLY 71 H GLY 71 7.465 15.861 -6.139
543 HA2 GLY 71 2HA GLY 71 7.405 18.082 -5.379
544 HA3 GLY 71 3HA GLY 71 5.773 17.712 -4.821
545 H SER 72 H SER 72 5.840 18.675 -2.794
546 HA SER 72 HA SER 72 8.116 18.193 -0.970
547 HB2 SER 72 2HB SER 72 6.958 19.694 0.533
548 HB3 SER 72 3HB SER 72 6.900 20.391 -1.083
549 HG SER 72 HG SER 72 4.863 18.748 0.012
550 H LYS 73 H LYS 73 5.280 16.551 -1.815
551 HA LYS 73 HA LYS 73 5.183 15.121 0.846
552 HB2 LYS 73 2HB LYS 73 2.991 15.624 -1.190
553 HB3 LYS 73 3HB LYS 73 2.828 14.537 0.189
554 HG2 LYS 73 2HG LYS 73 3.329 16.413 1.720
555 HG3 LYS 73 3HG LYS 73 3.460 17.499 0.337
556 HD2 LYS 73 2HD LYS 73 1.123 17.082 -0.255
557 HD3 LYS 73 3HD LYS 73 0.977 15.917 1.063
558 HE2 LYS 73 2HE LYS 73 0.053 18.073 1.766
559 HE3 LYS 73 3HE LYS 73 1.516 17.722 2.686
560 HZ1 LYS 73 3HZ LYS 73 1.230 20.038 1.627
561 HZ2 LYS 73 1HZ LYS 73 1.675 19.267 0.182
562 HZ3 LYS 73 2HZ LYS 73 2.737 19.263 1.509
563 H LEU 74 H LEU 74 6.293 13.287 0.602
564 HA LEU 74 HA LEU 74 6.442 11.886 -1.988
565 HB2 LEU 74 2HB LEU 74 7.615 10.105 -0.297
566 HB3 LEU 74 3HB LEU 74 8.472 11.508 -0.915
567 HG LEU 74 HG LEU 74 7.941 12.775 1.119
568 HD11 LEU 74 1HD1 LEU 74 5.851 11.944 1.878
569 HD12 LEU 74 2HD1 LEU 74 6.983 11.338 3.075
570 HD13 LEU 74 3HD1 LEU 74 6.384 10.264 1.809
571 HD21 LEU 74 3HD2 LEU 74 9.990 11.425 1.043
572 HD22 LEU 74 1HD2 LEU 74 9.104 10.022 1.643
573 HD23 LEU 74 2HD2 LEU 74 9.326 11.433 2.678
574 H HIS 75 H HIS 75 5.545 9.817 -2.393
575 HA HIS 75 HA HIS 75 3.165 9.125 -0.680
576 HB2 HIS 75 2HB HIS 75 3.786 8.580 -3.598
577 HB3 HIS 75 3HB HIS 75 2.378 7.941 -2.750
578 HD1 HIS 75 HD1 HIS 75 3.892 11.198 -3.927
579 HD2 HIS 75 HD2 HIS 75 0.312 9.802 -2.315
580 HE1 HIS 75 HE1 HIS 75 2.241 13.111 -4.089
581 H SER 76 H SER 76 3.209 7.224 0.396
582 HA SER 76 HA SER 76 5.553 5.534 0.318
583 HB2 SER 76 2HB SER 76 4.123 4.043 1.809
584 HB3 SER 76 3HB SER 76 4.353 5.688 2.391
585 HG SER 76 HG SER 76 2.306 6.089 2.066
586 H GLU 77 H GLU 77 5.668 3.350 -0.436
587 HA GLU 77 HA GLU 77 3.471 2.340 -2.184
588 HB2 GLU 77 2HB GLU 77 6.337 2.786 -3.090
589 HB3 GLU 77 3HB GLU 77 5.165 1.806 -3.971
590 HG2 GLU 77 2HG GLU 77 3.681 3.772 -4.186
591 HG3 GLU 77 3HG GLU 77 4.857 4.752 -3.314
592 H ILE 78 H ILE 78 3.699 0.033 -2.597
593 HA ILE 78 HA ILE 78 5.740 -1.406 -0.932
594 HB ILE 78 HB ILE 78 3.877 -2.963 -0.204
595 HG12 ILE 78 2HG1 ILE 78 2.105 -0.683 -1.157
596 HG13 ILE 78 3HG1 ILE 78 2.275 -2.218 -2.005
597 HG21 ILE 78 1HG2 ILE 78 3.546 -0.074 0.664
598 HG22 ILE 78 2HG2 ILE 78 4.807 -1.156 1.257
599 HG23 ILE 78 3HG2 ILE 78 3.113 -1.506 1.596
600 HD11 ILE 78 3HD1 ILE 78 1.553 -3.370 0.138
601 HD12 ILE 78 1HD1 ILE 78 0.309 -2.391 -0.636
602 HD13 ILE 78 2HD1 ILE 78 1.162 -1.772 0.775
603 H ARG 79 H ARG 79 6.115 -3.587 -1.627
604 HA ARG 79 HA ARG 79 4.765 -4.556 -4.073
605 HB2 ARG 79 2HB ARG 79 6.614 -3.008 -4.859
606 HB3 ARG 79 3HB ARG 79 7.768 -4.094 -4.086
607 HG2 ARG 79 2HG ARG 79 6.968 -5.962 -5.486
608 HG3 ARG 79 3HG ARG 79 5.788 -4.898 -6.247
609 HD2 ARG 79 2HD ARG 79 7.825 -3.417 -6.896
610 HD3 ARG 79 3HD ARG 79 8.803 -4.829 -6.488
611 HE ARG 79 HE ARG 79 6.608 -5.419 -8.335
612 HH11 ARG 79 1HH2 ARG 79 9.896 -4.430 -7.934
613 HH12 ARG 79 2HH2 ARG 79 10.333 -4.779 -9.575
614 HH21 ARG 79 1HH1 ARG 79 7.160 -5.835 -10.479
615 HH22 ARG 79 2HH1 ARG 79 8.785 -5.568 -11.012
616 H LEU 80 H LEU 80 5.055 -6.812 -4.320
617 HA LEU 80 HA LEU 80 5.797 -8.257 -1.927
618 HB2 LEU 80 2HB LEU 80 5.411 -9.338 -4.737
619 HB3 LEU 80 3HB LEU 80 5.318 -10.257 -3.236
620 HG LEU 80 HG LEU 80 3.468 -7.975 -4.010
621 HD11 LEU 80 1HD1 LEU 80 1.778 -9.754 -4.268
622 HD12 LEU 80 2HD1 LEU 80 3.004 -10.972 -3.918
623 HD13 LEU 80 3HD1 LEU 80 3.128 -9.991 -5.379
624 HD21 LEU 80 3HD2 LEU 80 3.693 -9.730 -1.546
625 HD22 LEU 80 1HD2 LEU 80 2.132 -9.054 -2.019
626 HD23 LEU 80 2HD2 LEU 80 3.474 -7.983 -1.647
627 H ARG 81 H ARG 81 7.731 -9.217 -1.422
628 HA ARG 81 HA ARG 81 10.107 -8.457 -2.946
629 HB2 ARG 81 2HB ARG 81 10.016 -8.543 -0.458
630 HB3 ARG 81 3HB ARG 81 9.801 -10.287 -0.547
631 HG2 ARG 81 2HG ARG 81 11.996 -10.534 -1.617
632 HG3 ARG 81 3HG ARG 81 12.211 -8.779 -1.616
633 HD2 ARG 81 2HD ARG 81 12.030 -8.766 0.851
634 HD3 ARG 81 3HD ARG 81 11.825 -10.506 0.847
635 HE ARG 81 HE ARG 81 14.160 -10.708 -0.020
636 HH11 ARG 81 1HH2 ARG 81 13.257 -7.584 1.259
637 HH12 ARG 81 2HH2 ARG 81 14.865 -7.217 1.773
638 HH21 ARG 81 1HH1 ARG 81 16.217 -10.200 0.674
639 HH22 ARG 81 2HH1 ARG 81 16.526 -8.684 1.452
640 H HIS 82 H HIS 82 11.194 -9.715 -4.394
641 HA HIS 82 HA HIS 82 11.090 -12.612 -4.382
642 HB2 HIS 82 2HB HIS 82 9.955 -12.899 -6.549
643 HB3 HIS 82 3HB HIS 82 8.872 -12.144 -5.381
644 HD1 HIS 82 HD1 HIS 82 8.810 -9.399 -5.544
645 HD2 HIS 82 HD2 HIS 82 10.225 -11.446 -8.890
646 HE1 HIS 82 HE1 HIS 82 8.702 -7.769 -7.480
647 H ASP 83 H ASP 83 12.024 -13.274 -6.789
648 HA ASP 83 HA ASP 83 13.983 -13.226 -8.075
649 HB2 ASP 83 2HB ASP 83 12.675 -11.257 -9.011
650 HB3 ASP 83 3HB ASP 83 13.633 -10.211 -7.963
651 H GLY 84 H GLY 84 14.003 -12.563 -4.986
652 HA2 GLY 84 2HA GLY 84 16.626 -11.198 -4.742
653 HA3 GLY 84 3HA GLY 84 15.600 -11.739 -3.413
654 H LEU 85 H LEU 85 18.302 -12.545 -5.357
655 HA LEU 85 HA LEU 85 18.239 -15.435 -4.708
656 HB2 LEU 85 2HB LEU 85 20.531 -13.842 -5.909
657 HB3 LEU 85 3HB LEU 85 20.254 -15.580 -6.011
658 HG LEU 85 HG LEU 85 18.511 -13.426 -7.248
659 HD11 LEU 85 1HD1 LEU 85 20.361 -15.473 -8.509
660 HD12 LEU 85 2HD1 LEU 85 20.683 -13.745 -8.374
661 HD13 LEU 85 3HD1 LEU 85 19.354 -14.317 -9.380
662 HD21 LEU 85 3HD2 LEU 85 17.492 -15.507 -8.408
663 HD22 LEU 85 1HD2 LEU 85 17.051 -15.239 -6.723
664 HD23 LEU 85 2HD2 LEU 85 18.266 -16.449 -7.135
665 H GLU 86 H GLU 86 19.031 -12.634 -3.081
666 HA GLU 86 HA GLU 86 20.311 -12.170 -1.178
667 HB2 GLU 86 2HB GLU 86 18.798 -13.938 -0.309
668 HB3 GLU 86 3HB GLU 86 19.990 -15.158 -0.752
669 HG2 GLU 86 2HG GLU 86 21.628 -14.150 0.774
670 HG3 GLU 86 3HG GLU 86 20.492 -12.859 1.165
671 H HIS 87 H HIS 87 21.719 -15.377 -1.173
672 HA HIS 87 HA HIS 87 23.972 -16.014 -1.318
673 HB2 HIS 87 2HB HIS 87 23.660 -14.193 -3.726
674 HB3 HIS 87 3HB HIS 87 25.138 -15.101 -3.416
675 HD1 HIS 87 HD1 HIS 87 21.693 -15.463 -4.719
676 HD2 HIS 87 HD2 HIS 87 24.769 -17.993 -3.486
677 HE1 HIS 87 HE1 HIS 87 21.091 -17.781 -5.547
678 H HIS 88 H HIS 88 24.845 -15.110 0.570
679 HA HIS 88 HA HIS 88 25.480 -12.323 0.864
680 HB2 HIS 88 2HB HIS 88 26.663 -14.747 2.253
681 HB3 HIS 88 3HB HIS 88 26.873 -13.076 2.777
682 HD1 HIS 88 HD1 HIS 88 24.419 -11.776 3.134
683 HD2 HIS 88 HD2 HIS 88 24.464 -15.935 3.421
684 HE1 HIS 88 HE1 HIS 88 22.317 -12.431 4.385
685 H HIS 89 H HIS 89 27.280 -11.196 0.210
686 HA HIS 89 HA HIS 89 29.009 -12.311 -1.784
687 HB2 HIS 89 2HB HIS 89 28.515 -9.889 -1.607
688 HB3 HIS 89 3HB HIS 89 29.413 -9.824 -0.092
689 HD1 HIS 89 HD1 HIS 89 29.978 -10.725 -3.750
690 HD2 HIS 89 HD2 HIS 89 32.143 -9.448 -0.425
691 HE1 HIS 89 HE1 HIS 89 32.335 -10.282 -4.559
692 H HIS 90 H HIS 90 29.477 -11.663 1.686
693 HA HIS 90 HA HIS 90 32.196 -12.859 1.603
694 HB2 HIS 90 2HB HIS 90 30.565 -11.669 3.870
695 HB3 HIS 90 3HB HIS 90 32.223 -12.250 4.018
696 HD1 HIS 90 HD1 HIS 90 30.174 -9.473 2.553
697 HD2 HIS 90 HD2 HIS 90 34.183 -10.590 2.766
698 HE1 HIS 90 HE1 HIS 90 31.514 -7.479 1.759
699 H HIS 91 H HIS 91 32.082 -15.070 1.445
700 HA HIS 91 HA HIS 91 31.090 -16.585 3.699
701 HB2 HIS 91 2HB HIS 91 28.941 -16.165 2.527
702 HB3 HIS 91 3HB HIS 91 29.605 -16.909 1.073
703 HD1 HIS 91 HD1 HIS 91 28.847 -17.786 4.697
704 HD2 HIS 91 HD2 HIS 91 29.409 -19.684 1.029
705 HE1 HIS 91 HE1 HIS 91 28.307 -20.232 5.068
706 H HIS 92 H HIS 92 32.150 -16.584 0.334
707 HA HIS 92 HA HIS 92 33.068 -19.312 0.294
708 HB2 HIS 92 2HB HIS 92 33.973 -16.919 -1.340
709 HB3 HIS 92 3HB HIS 92 34.361 -18.602 -1.703
710 HD1 HIS 92 HD1 HIS 92 32.250 -20.193 -2.221
711 HD2 HIS 92 HD2 HIS 92 31.472 -16.098 -2.252
712 HE1 HIS 92 HE1 HIS 92 30.019 -19.895 -3.385
Start of MODEL 7
1 H1 MET 1 1H MET 1 -4.306 -14.900 18.192
2 H2 MET 1 2H MET 1 -3.944 -13.460 17.366
3 H3 MET 1 3H MET 1 -4.219 -13.436 19.043
4 HA MET 1 HA MET 1 -1.997 -13.417 19.138
5 HB2 MET 1 2HB MET 1 -3.125 -16.003 19.464
6 HB3 MET 1 3HB MET 1 -1.662 -16.289 18.533
7 HG2 MET 1 2HG MET 1 -1.062 -16.431 20.861
8 HG3 MET 1 3HG MET 1 -0.414 -14.902 20.266
9 HE1 MET 1 3HE MET 1 -1.451 -14.108 23.926
10 HE2 MET 1 1HE MET 1 -0.185 -13.950 22.703
11 HE3 MET 1 2HE MET 1 -0.706 -15.546 23.235
12 HA PRO 2 HA PRO 2 -0.482 -15.203 14.839
13 HB2 PRO 2 2HB PRO 2 -3.027 -14.979 13.266
14 HB3 PRO 2 3HB PRO 2 -1.804 -16.268 13.246
15 HG2 PRO 2 2HG PRO 2 -4.170 -16.659 14.414
16 HG3 PRO 2 3HG PRO 2 -2.684 -17.308 15.139
17 HD2 PRO 2 2HD PRO 2 -4.225 -14.829 15.923
18 HD3 PRO 2 3HD PRO 2 -3.509 -16.080 16.968
19 H HIS 3 H HIS 3 0.436 -13.754 13.348
20 HA HIS 3 HA HIS 3 -0.137 -10.951 13.674
21 HB2 HIS 3 2HB HIS 3 1.505 -12.435 11.595
22 HB3 HIS 3 3HB HIS 3 1.466 -10.678 11.749
23 HD1 HIS 3 HD1 HIS 3 2.170 -9.767 14.241
24 HD2 HIS 3 HD2 HIS 3 3.377 -13.633 13.250
25 HE1 HIS 3 HE1 HIS 3 4.020 -10.377 15.860
26 H LYS 4 H LYS 4 -0.999 -13.333 11.209
27 HA LYS 4 HA LYS 4 -2.144 -11.439 9.358
28 HB2 LYS 4 2HB LYS 4 -2.347 -14.429 9.755
29 HB3 LYS 4 3HB LYS 4 -3.398 -13.633 8.590
30 HG2 LYS 4 2HG LYS 4 -1.341 -14.481 7.515
31 HG3 LYS 4 3HG LYS 4 -1.446 -12.725 7.408
32 HD2 LYS 4 2HD LYS 4 0.132 -12.444 9.218
33 HD3 LYS 4 3HD LYS 4 0.115 -14.175 9.568
34 HE2 LYS 4 2HE LYS 4 1.106 -14.635 7.370
35 HE3 LYS 4 3HE LYS 4 1.076 -12.914 6.982
36 HZ1 LYS 4 3HZ LYS 4 3.105 -12.876 7.868
37 HZ2 LYS 4 1HZ LYS 4 2.922 -14.391 8.609
38 HZ3 LYS 4 2HZ LYS 4 2.337 -12.994 9.379
39 H GLU 5 H GLU 5 -4.218 -10.627 9.249
40 HA GLU 5 HA GLU 5 -5.874 -10.830 11.665
41 HB2 GLU 5 2HB GLU 5 -6.309 -9.364 9.037
42 HB3 GLU 5 3HB GLU 5 -7.306 -9.178 10.479
43 HG2 GLU 5 2HG GLU 5 -4.327 -8.638 10.397
44 HG3 GLU 5 3HG GLU 5 -5.558 -7.389 10.228
45 H LYS 6 H LYS 6 -8.185 -10.458 9.453
46 HA LYS 6 HA LYS 6 -9.280 -13.087 9.800
47 HB2 LYS 6 2HB LYS 6 -9.992 -10.918 7.808
48 HB3 LYS 6 3HB LYS 6 -10.975 -12.346 8.128
49 HG2 LYS 6 2HG LYS 6 -11.068 -11.649 10.547
50 HG3 LYS 6 3HG LYS 6 -10.263 -10.149 10.094
51 HD2 LYS 6 2HD LYS 6 -12.878 -11.102 8.877
52 HD3 LYS 6 3HD LYS 6 -12.782 -9.973 10.223
53 HE2 LYS 6 2HE LYS 6 -11.289 -8.525 8.688
54 HE3 LYS 6 3HE LYS 6 -11.850 -9.556 7.372
55 HZ1 LYS 6 3HZ LYS 6 -14.116 -8.897 8.745
56 HZ2 LYS 6 1HZ LYS 6 -13.605 -8.238 7.269
57 HZ3 LYS 6 2HZ LYS 6 -13.217 -7.457 8.727
58 H HIS 7 H HIS 7 -8.844 -11.682 6.572
59 HA HIS 7 HA HIS 7 -8.126 -14.324 5.509
60 HB2 HIS 7 2HB HIS 7 -8.548 -11.607 4.234
61 HB3 HIS 7 3HB HIS 7 -8.100 -13.037 3.311
62 HD1 HIS 7 HD1 HIS 7 -10.273 -13.797 6.160
63 HD2 HIS 7 HD2 HIS 7 -10.819 -12.738 2.164
64 HE1 HIS 7 HE1 HIS 7 -12.669 -14.381 5.586
65 HA PRO 8 HA PRO 8 -3.674 -13.967 5.585
66 HB2 PRO 8 2HB PRO 8 -3.652 -14.354 2.601
67 HB3 PRO 8 3HB PRO 8 -2.760 -15.237 3.853
68 HG2 PRO 8 2HG PRO 8 -4.963 -16.241 2.597
69 HG3 PRO 8 3HG PRO 8 -4.492 -16.688 4.246
70 HD2 PRO 8 2HD PRO 8 -6.790 -15.026 3.370
71 HD3 PRO 8 3HD PRO 8 -6.513 -15.842 4.923
72 H LEU 9 H LEU 9 -2.346 -12.190 5.540
73 HA LEU 9 HA LEU 9 -3.223 -9.704 4.417
74 HB2 LEU 9 2HB LEU 9 -0.513 -10.613 5.428
75 HB3 LEU 9 3HB LEU 9 -0.870 -8.947 4.989
76 HG LEU 9 HG LEU 9 -2.468 -10.489 7.062
77 HD11 LEU 9 1HD1 LEU 9 -1.143 -9.187 8.743
78 HD12 LEU 9 2HD1 LEU 9 -0.088 -8.646 7.437
79 HD13 LEU 9 3HD1 LEU 9 -0.174 -10.359 7.848
80 HD21 LEU 9 3HD2 LEU 9 -2.349 -7.583 6.194
81 HD22 LEU 9 1HD2 LEU 9 -2.912 -8.018 7.805
82 HD23 LEU 9 2HD2 LEU 9 -3.760 -8.619 6.391
83 H GLN 10 H GLN 10 -0.840 -12.100 3.329
84 HA GLN 10 HA GLN 10 0.242 -10.683 1.143
85 HB2 GLN 10 2HB GLN 10 1.049 -12.904 1.969
86 HB3 GLN 10 3HB GLN 10 -0.370 -13.654 1.242
87 HG2 GLN 10 2HG GLN 10 0.321 -12.912 -0.980
88 HG3 GLN 10 3HG GLN 10 1.684 -12.029 -0.289
89 HE21 GLN 10 1HE2 GLN 10 2.090 -14.116 -2.222
90 HE22 GLN 10 2HE2 GLN 10 2.873 -15.410 -1.451
91 H ASP 11 H ASP 11 -2.728 -12.646 1.312
92 HA ASP 11 HA ASP 11 -3.380 -12.392 -1.478
93 HB2 ASP 11 2HB ASP 11 -4.921 -13.068 1.033
94 HB3 ASP 11 3HB ASP 11 -5.812 -12.785 -0.461
95 H MET 12 H MET 12 -4.306 -10.480 1.397
96 HA MET 12 HA MET 12 -6.013 -8.654 0.019
97 HB2 MET 12 2HB MET 12 -4.329 -8.317 2.519
98 HB3 MET 12 3HB MET 12 -5.527 -7.143 1.984
99 HG2 MET 12 2HG MET 12 -7.303 -8.788 2.170
100 HG3 MET 12 3HG MET 12 -6.136 -10.053 2.539
101 HE1 MET 12 3HE MET 12 -8.471 -7.449 3.783
102 HE2 MET 12 1HE MET 12 -7.067 -6.381 3.668
103 HE3 MET 12 2HE MET 12 -7.764 -6.758 5.240
104 H PHE 13 H PHE 13 -2.534 -8.376 0.859
105 HA PHE 13 HA PHE 13 -2.215 -5.854 -0.518
106 HB2 PHE 13 2HB PHE 13 -0.240 -7.959 0.414
107 HB3 PHE 13 3HB PHE 13 0.277 -6.487 -0.402
108 HD1 PHE 13 HD1 PHE 13 -0.766 -4.247 0.531
109 HD2 PHE 13 HD2 PHE 13 -0.418 -7.882 2.799
110 HE1 PHE 13 HE1 PHE 13 -0.893 -2.946 2.637
111 HE2 PHE 13 HE2 PHE 13 -0.551 -6.575 4.903
112 HZ PHE 13 HZ PHE 13 -0.787 -4.110 4.824
113 H THR 14 H THR 14 -1.606 -9.245 -1.493
114 HA THR 14 HA THR 14 -0.485 -8.620 -4.043
115 HB THR 14 HB THR 14 -2.067 -11.060 -3.173
116 HG1 THR 14 HG1 THR 14 -0.270 -11.684 -2.292
117 HG21 THR 14 3HG2 THR 14 -0.713 -12.160 -5.010
118 HG22 THR 14 1HG2 THR 14 -0.262 -10.543 -5.549
119 HG23 THR 14 2HG2 THR 14 -1.954 -11.043 -5.574
120 H SER 15 H SER 15 -3.857 -9.388 -3.116
121 HA SER 15 HA SER 15 -4.915 -9.083 -5.766
122 HB2 SER 15 2HB SER 15 -7.106 -8.905 -4.625
123 HB3 SER 15 3HB SER 15 -6.154 -10.244 -3.995
124 HG SER 15 HG SER 15 -5.439 -8.686 -2.356
125 H ALA 16 H ALA 16 -4.544 -6.790 -3.067
126 HA ALA 16 HA ALA 16 -5.903 -4.631 -4.438
127 HB1 ALA 16 3HB ALA 16 -3.945 -4.550 -2.132
128 HB2 ALA 16 1HB ALA 16 -5.693 -4.716 -1.982
129 HB3 ALA 16 2HB ALA 16 -5.002 -3.230 -2.635
130 H ILE 17 H ILE 17 -2.442 -5.327 -3.840
131 HA ILE 17 HA ILE 17 -1.465 -3.039 -5.245
132 HB ILE 17 HB ILE 17 -0.216 -5.753 -4.708
133 HG12 ILE 17 2HG1 ILE 17 0.304 -3.066 -3.382
134 HG13 ILE 17 3HG1 ILE 17 -0.865 -4.228 -2.760
135 HG21 ILE 17 1HG2 ILE 17 1.004 -4.806 -6.569
136 HG22 ILE 17 2HG2 ILE 17 1.967 -4.522 -5.129
137 HG23 ILE 17 3HG2 ILE 17 1.019 -3.213 -5.817
138 HD11 ILE 17 3HD1 ILE 17 2.111 -4.691 -3.120
139 HD12 ILE 17 1HD1 ILE 17 0.960 -5.935 -2.635
140 HD13 ILE 17 2HD1 ILE 17 1.244 -4.544 -1.591
141 H GLU 18 H GLU 18 -2.051 -6.387 -6.348
142 HA GLU 18 HA GLU 18 -1.149 -5.937 -9.029
143 HB2 GLU 18 2HB GLU 18 -1.492 -8.178 -7.897
144 HB3 GLU 18 3HB GLU 18 -3.227 -7.944 -8.100
145 HG2 GLU 18 2HG GLU 18 -2.483 -9.271 -9.959
146 HG3 GLU 18 3HG GLU 18 -2.795 -7.657 -10.588
147 H ALA 19 H ALA 19 -4.247 -5.456 -7.419
148 HA ALA 19 HA ALA 19 -5.844 -5.126 -9.769
149 HB1 ALA 19 3HB ALA 19 -6.145 -3.946 -6.993
150 HB2 ALA 19 1HB ALA 19 -6.894 -5.422 -7.600
151 HB3 ALA 19 2HB ALA 19 -7.381 -3.856 -8.247
152 H VAL 20 H VAL 20 -3.887 -2.818 -7.903
153 HA VAL 20 HA VAL 20 -4.363 -0.738 -10.036
154 HB VAL 20 HB VAL 20 -4.040 0.964 -8.353
155 HG11 VAL 20 1HG1 VAL 20 -5.867 -1.204 -7.271
156 HG12 VAL 20 2HG1 VAL 20 -6.295 -0.046 -8.530
157 HG13 VAL 20 3HG1 VAL 20 -5.960 0.516 -6.891
158 HG21 VAL 20 3HG2 VAL 20 -3.342 -1.366 -6.538
159 HG22 VAL 20 1HG2 VAL 20 -3.753 0.230 -5.914
160 HG23 VAL 20 2HG2 VAL 20 -2.337 0.021 -6.942
161 H ALA 21 H ALA 21 -2.221 -2.972 -9.657
162 HA ALA 21 HA ALA 21 0.267 -1.740 -9.053
163 HB1 ALA 21 3HB ALA 21 -0.565 -4.121 -10.707
164 HB2 ALA 21 1HB ALA 21 0.363 -4.092 -9.210
165 HB3 ALA 21 2HB ALA 21 1.120 -3.607 -10.721
166 H ARG 22 H ARG 22 -1.738 -1.595 -11.919
167 HA ARG 22 HA ARG 22 -1.452 -0.465 -13.954
168 HB2 ARG 22 2HB ARG 22 0.154 1.266 -12.056
169 HB3 ARG 22 3HB ARG 22 -0.215 1.739 -13.711
170 HG2 ARG 22 2HG ARG 22 -2.621 1.554 -13.232
171 HG3 ARG 22 3HG ARG 22 -2.262 1.073 -11.575
172 HD2 ARG 22 2HD ARG 22 -0.936 3.604 -12.381
173 HD3 ARG 22 3HD ARG 22 -2.685 3.697 -12.394
174 HE ARG 22 HE ARG 22 -2.479 2.719 -9.975
175 HH11 ARG 22 1HH2 ARG 22 0.040 4.666 -11.384
176 HH12 ARG 22 2HH2 ARG 22 0.250 5.628 -9.966
177 HH21 ARG 22 1HH1 ARG 22 -2.177 4.034 -8.128
178 HH22 ARG 22 2HH1 ARG 22 -0.976 5.282 -8.161
179 H ASP 23 H ASP 23 -0.222 -2.190 -14.981
180 HA ASP 23 HA ASP 23 1.655 -3.075 -16.081
181 HB2 ASP 23 2HB ASP 23 1.422 -0.754 -17.078
182 HB3 ASP 23 3HB ASP 23 2.664 -0.218 -15.950
183 H SER 24 H SER 24 1.771 -3.266 -13.215
184 HA SER 24 HA SER 24 3.328 -3.813 -11.555
185 HB2 SER 24 2HB SER 24 5.299 -4.834 -12.284
186 HB3 SER 24 3HB SER 24 4.364 -4.862 -13.779
187 HG SER 24 HG SER 24 5.484 -2.535 -13.755
188 H GLY 25 H GLY 25 3.207 -0.899 -13.079
189 HA2 GLY 25 2HA GLY 25 5.605 0.389 -12.121
190 HA3 GLY 25 3HA GLY 25 4.128 1.220 -12.614
191 H TRP 26 H TRP 26 5.554 -0.612 -9.924
192 HA TRP 26 HA TRP 26 4.983 -0.664 -7.629
193 HB2 TRP 26 2HB TRP 26 4.997 2.304 -8.271
194 HB3 TRP 26 3HB TRP 26 5.089 1.629 -6.643
195 HD1 TRP 26 HD1 TRP 26 7.081 1.946 -9.881
196 HE1 TRP 26 HE1 TRP 26 9.540 1.334 -9.410
197 HE3 TRP 26 HE3 TRP 26 6.699 0.306 -5.058
198 HZ2 TRP 26 HZ2 TRP 26 11.139 0.322 -7.285
199 HZ3 TRP 26 HZ3 TRP 26 8.707 -0.472 -3.836
200 HH2 TRP 26 HH2 TRP 26 10.927 -0.465 -4.942
201 H ALA 27 H ALA 27 3.444 1.000 -6.047
202 HA ALA 27 HA ALA 27 0.754 1.293 -7.200
203 HB1 ALA 27 3HB ALA 27 1.408 -0.835 -5.138
204 HB2 ALA 27 1HB ALA 27 0.604 -1.047 -6.693
205 HB3 ALA 27 2HB ALA 27 -0.227 -0.216 -5.379
206 H GLU 28 H GLU 28 -0.254 2.950 -6.158
207 HA GLU 28 HA GLU 28 1.163 4.401 -4.095
208 HB2 GLU 28 2HB GLU 28 -1.666 4.692 -5.150
209 HB3 GLU 28 3HB GLU 28 -0.869 5.847 -4.082
210 HG2 GLU 28 2HG GLU 28 0.205 5.034 -6.798
211 HG3 GLU 28 3HG GLU 28 -0.763 6.481 -6.516
212 H LEU 29 H LEU 29 1.076 4.045 -1.942
213 HA LEU 29 HA LEU 29 -0.297 1.921 -0.733
214 HB2 LEU 29 2HB LEU 29 1.586 3.112 0.332
215 HB3 LEU 29 3HB LEU 29 0.583 4.546 0.522
216 HG LEU 29 HG LEU 29 -0.928 3.300 2.031
217 HD11 LEU 29 1HD1 LEU 29 -0.858 1.042 1.362
218 HD12 LEU 29 2HD1 LEU 29 0.039 1.018 2.873
219 HD13 LEU 29 3HD1 LEU 29 0.907 0.997 1.338
220 HD21 LEU 29 3HD2 LEU 29 0.664 3.055 3.915
221 HD22 LEU 29 1HD2 LEU 29 0.978 4.518 2.983
222 HD23 LEU 29 2HD2 LEU 29 2.009 3.101 2.774
223 H SER 30 H SER 30 -1.321 5.316 -1.096
224 HA SER 30 HA SER 30 -3.682 5.173 0.481
225 HB2 SER 30 2HB SER 30 -4.469 7.071 -0.907
226 HB3 SER 30 3HB SER 30 -2.792 7.289 -0.413
227 HG SER 30 HG SER 30 -2.126 6.728 -2.433
228 H ALA 31 H ALA 31 -3.146 4.426 -2.966
229 HA ALA 31 HA ALA 31 -5.869 3.762 -3.561
230 HB1 ALA 31 3HB ALA 31 -4.172 4.152 -5.319
231 HB2 ALA 31 1HB ALA 31 -4.954 2.586 -5.522
232 HB3 ALA 31 2HB ALA 31 -3.334 2.679 -4.831
233 H VAL 32 H VAL 32 -3.150 1.807 -2.348
234 HA VAL 32 HA VAL 32 -4.436 -0.734 -2.511
235 HB VAL 32 HB VAL 32 -2.347 0.321 -0.574
236 HG11 VAL 32 1HG1 VAL 32 -1.793 -2.153 -0.309
237 HG12 VAL 32 2HG1 VAL 32 -3.339 -2.498 -1.078
238 HG13 VAL 32 3HG1 VAL 32 -3.291 -1.634 0.456
239 HG21 VAL 32 3HG2 VAL 32 -0.759 -0.784 -2.065
240 HG22 VAL 32 1HG2 VAL 32 -1.744 0.351 -2.988
241 HG23 VAL 32 2HG2 VAL 32 -2.079 -1.378 -3.073
242 H GLY 33 H GLY 33 -4.213 1.585 0.184
243 HA2 GLY 33 2HA GLY 33 -5.823 0.099 2.003
244 HA3 GLY 33 3HA GLY 33 -5.567 1.842 2.082
245 H SER 34 H SER 34 -6.737 2.725 -0.251
246 HA SER 34 HA SER 34 -9.507 2.733 0.422
247 HB2 SER 34 2HB SER 34 -8.427 4.520 -0.904
248 HB3 SER 34 3HB SER 34 -8.210 3.393 -2.240
249 HG SER 34 HG SER 34 -10.097 4.365 -2.692
250 H TYR 35 H TYR 35 -7.720 0.923 -2.062
251 HA TYR 35 HA TYR 35 -9.955 -0.337 -3.282
252 HB2 TYR 35 2HB TYR 35 -7.685 -0.421 -4.233
253 HB3 TYR 35 3HB TYR 35 -7.146 -1.410 -2.878
254 HD1 TYR 35 HD1 TYR 35 -9.232 -1.336 -5.929
255 HD2 TYR 35 HD2 TYR 35 -7.778 -3.768 -2.700
256 HE1 TYR 35 HE1 TYR 35 -9.995 -3.371 -7.117
257 HE2 TYR 35 HE2 TYR 35 -8.538 -5.806 -3.892
258 HH TYR 35 HH TYR 35 -10.132 -6.445 -5.599
259 H LEU 36 H LEU 36 -7.923 -1.430 -0.549
260 HA LEU 36 HA LEU 36 -9.336 -3.879 -0.110
261 HB2 LEU 36 2HB LEU 36 -7.760 -2.134 1.805
262 HB3 LEU 36 3HB LEU 36 -8.336 -3.750 2.202
263 HG LEU 36 HG LEU 36 -6.538 -3.172 -0.176
264 HD11 LEU 36 1HD1 LEU 36 -5.325 -2.551 1.833
265 HD12 LEU 36 2HD1 LEU 36 -4.707 -4.104 1.268
266 HD13 LEU 36 3HD1 LEU 36 -5.816 -4.040 2.640
267 HD21 LEU 36 3HD2 LEU 36 -7.452 -5.709 1.227
268 HD22 LEU 36 1HD2 LEU 36 -6.028 -5.677 0.192
269 HD23 LEU 36 2HD2 LEU 36 -7.599 -5.296 -0.480
270 H ALA 37 H ALA 37 -9.822 -0.604 1.183
271 HA ALA 37 HA ALA 37 -11.788 -1.162 3.117
272 HB1 ALA 37 3HB ALA 37 -10.817 1.106 2.608
273 HB2 ALA 37 1HB ALA 37 -12.570 1.111 2.802
274 HB3 ALA 37 2HB ALA 37 -11.861 1.182 1.189
275 H LYS 38 H LYS 38 -12.262 -0.592 -0.376
276 HA LYS 38 HA LYS 38 -15.101 -0.993 -0.351
277 HB2 LYS 38 2HB LYS 38 -13.137 -1.532 -2.598
278 HB3 LYS 38 3HB LYS 38 -14.872 -1.288 -2.776
279 HG2 LYS 38 2HG LYS 38 -12.946 0.778 -1.664
280 HG3 LYS 38 3HG LYS 38 -13.532 0.748 -3.324
281 HD2 LYS 38 2HD LYS 38 -15.907 0.841 -2.319
282 HD3 LYS 38 3HD LYS 38 -15.126 1.252 -0.791
283 HE2 LYS 38 2HE LYS 38 -14.057 3.198 -1.821
284 HE3 LYS 38 3HE LYS 38 -14.783 2.792 -3.376
285 HZ1 LYS 38 3HZ LYS 38 -16.011 4.496 -2.077
286 HZ2 LYS 38 1HZ LYS 38 -16.353 3.311 -0.914
287 HZ3 LYS 38 2HZ LYS 38 -16.944 3.141 -2.498
288 H ASN 39 H ASN 39 -12.387 -3.238 -0.852
289 HA ASN 39 HA ASN 39 -14.248 -5.532 -1.120
290 HB2 ASN 39 2HB ASN 39 -11.215 -5.383 -1.088
291 HB3 ASN 39 3HB ASN 39 -12.157 -6.840 -1.405
292 HD21 ASN 39 1HD2 ASN 39 -14.217 -5.011 -2.862
293 HD22 ASN 39 2HD2 ASN 39 -13.510 -4.763 -4.384
294 H ASP 40 H ASP 40 -13.384 -3.767 1.430
295 HA ASP 40 HA ASP 40 -13.664 -6.033 3.311
296 HB2 ASP 40 2HB ASP 40 -11.171 -5.722 2.847
297 HB3 ASP 40 3HB ASP 40 -11.310 -4.136 3.603
298 HA PRO 41 HA PRO 41 -15.844 -2.059 4.448
299 HB2 PRO 41 2HB PRO 41 -17.965 -3.959 5.348
300 HB3 PRO 41 3HB PRO 41 -18.106 -2.543 4.285
301 HG2 PRO 41 2HG PRO 41 -18.272 -5.058 3.328
302 HG3 PRO 41 3HG PRO 41 -17.541 -3.744 2.386
303 HD2 PRO 41 2HD PRO 41 -16.167 -5.940 3.932
304 HD3 PRO 41 3HD PRO 41 -15.734 -5.233 2.357
305 H SER 42 H SER 42 -16.352 -1.276 6.606
306 HA SER 42 HA SER 42 -16.201 -1.219 8.945
307 HB2 SER 42 2HB SER 42 -17.129 -3.705 8.601
308 HB3 SER 42 3HB SER 42 -15.518 -4.139 9.164
309 HG SER 42 HG SER 42 -16.010 -3.416 11.088
310 H PHE 43 H PHE 43 -13.834 -1.811 6.794
311 HA PHE 43 HA PHE 43 -11.622 -2.162 8.766
312 HB2 PHE 43 2HB PHE 43 -11.755 -3.306 6.427
313 HB3 PHE 43 3HB PHE 43 -11.311 -1.735 5.772
314 HD1 PHE 43 HD1 PHE 43 -9.099 -0.717 6.313
315 HD2 PHE 43 HD2 PHE 43 -10.159 -4.653 7.678
316 HE1 PHE 43 HE1 PHE 43 -6.719 -1.180 6.841
317 HE2 PHE 43 HE2 PHE 43 -7.783 -5.110 8.205
318 HZ PHE 43 HZ PHE 43 -6.064 -3.380 7.788
319 H ASP 44 H ASP 44 -12.002 -0.025 5.961
320 HA ASP 44 HA ASP 44 -11.497 2.270 5.686
321 HB2 ASP 44 2HB ASP 44 -12.192 2.515 8.625
322 HB3 ASP 44 3HB ASP 44 -12.291 3.764 7.386
323 HA PRO 45 HA PRO 45 -7.210 1.514 7.391
324 HB2 PRO 45 2HB PRO 45 -6.629 3.373 5.095
325 HB3 PRO 45 3HB PRO 45 -5.816 1.860 5.546
326 HG2 PRO 45 2HG PRO 45 -7.485 1.956 3.472
327 HG3 PRO 45 3HG PRO 45 -7.430 0.534 4.527
328 HD2 PRO 45 2HD PRO 45 -9.491 2.725 4.409
329 HD3 PRO 45 3HD PRO 45 -9.709 0.992 4.738
330 H ARG 46 H ARG 46 -8.717 4.512 6.336
331 HA ARG 46 HA ARG 46 -7.013 6.376 7.647
332 HB2 ARG 46 2HB ARG 46 -9.966 6.437 6.974
333 HB3 ARG 46 3HB ARG 46 -9.114 7.831 7.634
334 HG2 ARG 46 2HG ARG 46 -7.614 7.900 5.733
335 HG3 ARG 46 3HG ARG 46 -8.264 6.384 5.104
336 HD2 ARG 46 2HD ARG 46 -10.317 7.376 4.482
337 HD3 ARG 46 3HD ARG 46 -10.106 8.751 5.564
338 HE ARG 46 HE ARG 46 -8.051 9.146 3.835
339 HH11 ARG 46 1HH2 ARG 46 -11.338 8.219 3.264
340 HH12 ARG 46 2HH2 ARG 46 -11.479 9.160 1.818
341 HH21 ARG 46 1HH1 ARG 46 -8.265 10.415 1.987
342 HH22 ARG 46 2HH1 ARG 46 -9.755 10.401 1.107
343 H ASN 47 H ASN 47 -9.960 4.729 8.801
344 HA ASN 47 HA ASN 47 -10.287 5.875 11.307
345 HB2 ASN 47 2HB ASN 47 -11.750 4.095 10.422
346 HB3 ASN 47 3HB ASN 47 -10.463 2.914 10.661
347 HD21 ASN 47 1HD2 ASN 47 -11.787 1.716 12.233
348 HD22 ASN 47 2HD2 ASN 47 -12.046 2.327 13.797
349 H TRP 48 H TRP 48 -7.783 3.586 10.332
350 HA TRP 48 HA TRP 48 -6.364 4.075 12.932
351 HB2 TRP 48 2HB TRP 48 -5.819 1.759 13.175
352 HB3 TRP 48 3HB TRP 48 -7.544 1.787 12.822
353 HD1 TRP 48 HD1 TRP 48 -8.247 1.239 10.229
354 HE1 TRP 48 HE1 TRP 48 -7.103 -0.310 8.514
355 HE3 TRP 48 HE3 TRP 48 -3.647 0.788 12.388
356 HZ2 TRP 48 HZ2 TRP 48 -4.562 -1.573 8.115
357 HZ3 TRP 48 HZ3 TRP 48 -1.885 -0.594 11.327
358 HH2 TRP 48 HH2 TRP 48 -2.339 -1.776 9.194
359 H GLY 49 H GLY 49 -6.110 5.266 10.251
360 HA2 GLY 49 2HA GLY 49 -3.950 4.138 8.775
361 HA3 GLY 49 3HA GLY 49 -4.416 5.838 8.740
362 H HIS 50 H HIS 50 -3.614 7.188 10.561
363 HA HIS 50 HA HIS 50 -1.807 8.050 11.775
364 HB2 HIS 50 2HB HIS 50 -2.569 6.216 13.309
365 HB3 HIS 50 3HB HIS 50 -1.397 5.151 12.545
366 HD1 HIS 50 HD1 HIS 50 1.152 5.719 12.892
367 HD2 HIS 50 HD2 HIS 50 -1.471 8.059 15.132
368 HE1 HIS 50 HE1 HIS 50 2.552 6.874 14.657
369 H GLY 51 H GLY 51 -1.364 6.235 9.094
370 HA2 GLY 51 2HA GLY 51 0.455 6.149 7.613
371 HA3 GLY 51 3HA GLY 51 1.388 7.098 8.769
372 H ARG 52 H ARG 52 0.565 4.912 10.835
373 HA ARG 52 HA ARG 52 3.011 3.448 10.748
374 HB2 ARG 52 2HB ARG 52 2.143 2.169 12.597
375 HB3 ARG 52 3HB ARG 52 1.500 3.800 12.781
376 HG2 ARG 52 2HG ARG 52 -0.555 2.928 11.454
377 HG3 ARG 52 3HG ARG 52 0.073 1.326 11.793
378 HD2 ARG 52 2HD ARG 52 -0.593 3.403 13.902
379 HD3 ARG 52 3HD ARG 52 -1.663 2.095 13.437
380 HE ARG 52 HE ARG 52 0.471 1.924 15.322
381 HH11 ARG 52 1HH2 ARG 52 -0.727 0.123 12.618
382 HH12 ARG 52 2HH2 ARG 52 -0.541 -1.398 13.410
383 HH21 ARG 52 1HH1 ARG 52 0.569 -0.038 16.382
384 HH22 ARG 52 2HH1 ARG 52 0.154 -1.492 15.536
385 H LEU 53 H LEU 53 0.390 3.187 8.709
386 HA LEU 53 HA LEU 53 0.110 0.364 8.367
387 HB2 LEU 53 2HB LEU 53 -1.472 1.984 7.383
388 HB3 LEU 53 3HB LEU 53 -0.197 2.615 6.348
389 HG LEU 53 HG LEU 53 -0.030 0.440 5.196
390 HD11 LEU 53 1HD1 LEU 53 -0.598 -1.205 6.791
391 HD12 LEU 53 2HD1 LEU 53 -1.972 -1.221 5.695
392 HD13 LEU 53 3HD1 LEU 53 -2.094 -0.387 7.245
393 HD21 LEU 53 3HD2 LEU 53 -2.187 0.532 4.042
394 HD22 LEU 53 1HD2 LEU 53 -1.632 2.166 4.402
395 HD23 LEU 53 2HD2 LEU 53 -2.893 1.424 5.389
396 H SER 54 H SER 54 2.259 2.745 6.819
397 HA SER 54 HA SER 54 3.566 0.877 5.074
398 HB2 SER 54 2HB SER 54 5.332 2.623 4.928
399 HB3 SER 54 3HB SER 54 3.717 3.290 4.711
400 HG SER 54 HG SER 54 3.879 3.601 7.126
401 H GLN 55 H GLN 55 4.125 1.862 8.417
402 HA GLN 55 HA GLN 55 6.660 0.439 8.666
403 HB2 GLN 55 2HB GLN 55 4.732 1.680 10.651
404 HB3 GLN 55 3HB GLN 55 6.146 0.775 11.189
405 HG2 GLN 55 2HG GLN 55 6.628 3.200 11.060
406 HG3 GLN 55 3HG GLN 55 7.619 2.287 9.923
407 HE21 GLN 55 1HE2 GLN 55 4.626 4.263 10.102
408 HE22 GLN 55 2HE2 GLN 55 4.669 4.748 8.476
409 H MET 56 H MET 56 3.248 -0.356 9.242
410 HA MET 56 HA MET 56 3.684 -2.755 10.733
411 HB2 MET 56 2HB MET 56 1.470 -1.631 10.484
412 HB3 MET 56 3HB MET 56 1.429 -2.138 8.796
413 HG2 MET 56 2HG MET 56 1.500 -4.503 9.488
414 HG3 MET 56 3HG MET 56 1.600 -4.010 11.177
415 HE1 MET 56 3HE MET 56 -2.007 -4.020 8.385
416 HE2 MET 56 1HE MET 56 -0.558 -5.033 8.335
417 HE3 MET 56 2HE MET 56 -0.459 -3.328 7.907
418 H VAL 57 H VAL 57 3.294 -2.226 7.222
419 HA VAL 57 HA VAL 57 3.642 -5.004 6.532
420 HB VAL 57 HB VAL 57 4.029 -4.122 4.218
421 HG11 VAL 57 1HG1 VAL 57 1.741 -4.510 5.060
422 HG12 VAL 57 2HG1 VAL 57 1.785 -3.115 3.982
423 HG13 VAL 57 3HG1 VAL 57 1.708 -2.878 5.727
424 HG21 VAL 57 3HG2 VAL 57 3.770 -1.449 5.626
425 HG22 VAL 57 1HG2 VAL 57 3.778 -1.674 3.883
426 HG23 VAL 57 2HG2 VAL 57 5.218 -2.053 4.824
427 H LYS 58 H LYS 58 5.846 -2.428 7.267
428 HA LYS 58 HA LYS 58 8.174 -3.372 5.925
429 HB2 LYS 58 2HB LYS 58 7.894 -1.152 7.080
430 HB3 LYS 58 3HB LYS 58 8.076 -1.983 8.621
431 HG2 LYS 58 2HG LYS 58 10.300 -2.850 7.820
432 HG3 LYS 58 3HG LYS 58 10.120 -1.846 6.384
433 HD2 LYS 58 2HD LYS 58 10.060 -0.774 9.223
434 HD3 LYS 58 3HD LYS 58 11.500 -0.786 8.211
435 HE2 LYS 58 2HE LYS 58 10.086 0.532 6.486
436 HE3 LYS 58 3HE LYS 58 8.953 0.796 7.811
437 HZ1 LYS 58 3HZ LYS 58 11.659 1.822 7.455
438 HZ2 LYS 58 1HZ LYS 58 11.162 1.465 9.037
439 HZ3 LYS 58 2HZ LYS 58 10.283 2.579 8.104
440 H LYS 59 H LYS 59 6.646 -4.355 8.948
441 HA LYS 59 HA LYS 59 8.869 -5.940 9.902
442 HB2 LYS 59 2HB LYS 59 5.898 -6.078 10.500
443 HB3 LYS 59 3HB LYS 59 7.139 -6.967 11.385
444 HG2 LYS 59 2HG LYS 59 8.222 -4.847 12.018
445 HG3 LYS 59 3HG LYS 59 6.999 -3.949 11.117
446 HD2 LYS 59 2HD LYS 59 5.239 -4.828 12.578
447 HD3 LYS 59 3HD LYS 59 6.426 -5.792 13.457
448 HE2 LYS 59 2HE LYS 59 5.948 -3.730 14.693
449 HE3 LYS 59 3HE LYS 59 7.611 -3.706 14.102
450 HZ1 LYS 59 3HZ LYS 59 5.407 -2.519 12.532
451 HZ2 LYS 59 1HZ LYS 59 7.073 -2.218 12.415
452 HZ3 LYS 59 2HZ LYS 59 6.197 -1.633 13.748
453 H LEU 60 H LEU 60 6.969 -6.320 7.204
454 HA LEU 60 HA LEU 60 6.998 -9.322 7.277
455 HB2 LEU 60 2HB LEU 60 5.668 -7.471 5.276
456 HB3 LEU 60 3HB LEU 60 5.434 -9.212 5.430
457 HG LEU 60 HG LEU 60 4.708 -7.135 7.522
458 HD11 LEU 60 1HD1 LEU 60 3.241 -7.121 5.530
459 HD12 LEU 60 2HD1 LEU 60 2.387 -7.709 6.955
460 HD13 LEU 60 3HD1 LEU 60 2.953 -8.847 5.736
461 HD21 LEU 60 3HD2 LEU 60 4.580 -10.164 7.502
462 HD22 LEU 60 1HD2 LEU 60 3.461 -9.224 8.490
463 HD23 LEU 60 2HD2 LEU 60 5.193 -9.093 8.761
464 H ASP 61 H ASP 61 8.645 -10.294 6.257
465 HA ASP 61 HA ASP 61 10.569 -8.803 4.689
466 HB2 ASP 61 2HB ASP 61 11.650 -11.019 4.374
467 HB3 ASP 61 3HB ASP 61 11.288 -10.674 6.065
468 H PHE 62 H PHE 62 7.968 -11.096 3.832
469 HA PHE 62 HA PHE 62 8.775 -11.267 1.053
470 HB2 PHE 62 2HB PHE 62 6.674 -12.420 0.686
471 HB3 PHE 62 3HB PHE 62 7.397 -12.997 2.185
472 HD1 PHE 62 HD1 PHE 62 6.493 -12.289 4.385
473 HD2 PHE 62 HD2 PHE 62 4.602 -11.143 0.699
474 HE1 PHE 62 HE1 PHE 62 4.443 -11.662 5.630
475 HE2 PHE 62 HE2 PHE 62 2.553 -10.513 1.948
476 HZ PHE 62 HZ PHE 62 2.472 -10.775 4.411
477 H LEU 63 H LEU 63 8.175 -8.528 2.345
478 HA LEU 63 HA LEU 63 6.629 -7.455 0.020
479 HB2 LEU 63 2HB LEU 63 6.085 -7.012 2.958
480 HB3 LEU 63 3HB LEU 63 5.635 -5.771 1.791
481 HG LEU 63 HG LEU 63 4.764 -8.636 1.299
482 HD11 LEU 63 1HD1 LEU 63 2.645 -8.136 2.539
483 HD12 LEU 63 2HD1 LEU 63 3.404 -6.673 3.170
484 HD13 LEU 63 3HD1 LEU 63 4.056 -8.256 3.589
485 HD21 LEU 63 3HD2 LEU 63 4.421 -6.803 -0.406
486 HD22 LEU 63 1HD2 LEU 63 3.392 -5.977 0.759
487 HD23 LEU 63 2HD2 LEU 63 2.923 -7.555 0.130
488 H THR 64 H THR 64 7.764 -5.888 -0.943
489 HA THR 64 HA THR 64 10.120 -4.717 0.444
490 HB THR 64 HB THR 64 9.169 -4.440 -2.424
491 HG1 THR 64 HG1 THR 64 11.456 -5.834 -1.824
492 HG21 THR 64 3HG2 THR 64 11.734 -3.653 -1.026
493 HG22 THR 64 1HG2 THR 64 10.583 -2.577 -1.819
494 HG23 THR 64 2HG2 THR 64 11.543 -3.700 -2.780
495 H VAL 65 H VAL 65 10.128 -2.617 1.161
496 HA VAL 65 HA VAL 65 7.726 -0.894 0.575
497 HB VAL 65 HB VAL 65 9.550 -0.898 3.005
498 HG11 VAL 65 1HG1 VAL 65 7.739 0.624 3.915
499 HG12 VAL 65 2HG1 VAL 65 7.079 0.711 2.281
500 HG13 VAL 65 3HG1 VAL 65 8.695 1.334 2.615
501 HG21 VAL 65 3HG2 VAL 65 8.043 -2.877 2.841
502 HG22 VAL 65 1HG2 VAL 65 6.666 -1.786 2.696
503 HG23 VAL 65 2HG2 VAL 65 7.611 -1.818 4.184
504 H GLN 66 H GLN 66 8.113 0.992 -0.418
505 HA GLN 66 HA GLN 66 10.747 2.335 -0.194
506 HB2 GLN 66 2HB GLN 66 10.956 0.790 -2.146
507 HB3 GLN 66 3HB GLN 66 9.546 1.558 -2.878
508 HG2 GLN 66 2HG GLN 66 10.689 3.685 -3.018
509 HG3 GLN 66 3HG GLN 66 12.058 3.062 -2.095
510 HE21 GLN 66 1HE2 GLN 66 11.276 3.828 -5.190
511 HE22 GLN 66 2HE2 GLN 66 12.204 2.682 -6.029
512 H GLU 67 H GLU 67 10.534 4.577 -0.506
513 HA GLU 67 HA GLU 67 7.724 5.601 -0.818
514 HB2 GLU 67 2HB GLU 67 10.191 6.792 0.491
515 HB3 GLU 67 3HB GLU 67 8.657 7.646 0.304
516 HG2 GLU 67 2HG GLU 67 7.509 5.928 1.621
517 HG3 GLU 67 3HG GLU 67 9.008 5.012 1.759
518 H SER 68 H SER 68 7.296 6.579 -2.726
519 HA SER 68 HA SER 68 9.448 7.210 -4.606
520 HB2 SER 68 2HB SER 68 6.452 7.647 -4.721
521 HB3 SER 68 3HB SER 68 7.556 8.019 -6.043
522 HG SER 68 HG SER 68 6.899 5.973 -6.423
523 H ARG 69 H ARG 69 9.984 9.309 -5.347
524 HA ARG 69 HA ARG 69 9.632 11.428 -3.334
525 HB2 ARG 69 2HB ARG 69 11.112 11.506 -5.994
526 HB3 ARG 69 3HB ARG 69 11.245 12.690 -4.702
527 HG2 ARG 69 2HG ARG 69 12.089 9.773 -4.545
528 HG3 ARG 69 3HG ARG 69 13.173 11.151 -4.682
529 HD2 ARG 69 2HD ARG 69 11.544 11.724 -2.417
530 HD3 ARG 69 3HD ARG 69 11.975 10.035 -2.280
531 HE ARG 69 HE ARG 69 14.104 12.073 -2.755
532 HH11 ARG 69 1HH2 ARG 69 12.737 9.526 -0.831
533 HH12 ARG 69 2HH2 ARG 69 13.777 9.818 0.516
534 HH21 ARG 69 1HH1 ARG 69 15.425 12.467 -0.927
535 HH22 ARG 69 2HH1 ARG 69 15.271 11.446 0.462
536 H ASN 70 H ASN 70 8.092 12.958 -3.440
537 HA ASN 70 HA ASN 70 7.028 13.842 -6.067
538 HB2 ASN 70 2HB ASN 70 5.587 11.931 -5.402
539 HB3 ASN 70 3HB ASN 70 5.221 12.756 -3.885
540 HD21 ASN 70 1HD2 ASN 70 3.220 13.793 -4.013
541 HD22 ASN 70 2HD2 ASN 70 2.604 14.559 -5.397
542 H GLY 71 H GLY 71 7.975 15.872 -5.502
543 HA2 GLY 71 2HA GLY 71 7.954 18.023 -4.569
544 HA3 GLY 71 3HA GLY 71 6.264 17.708 -4.182
545 H SER 72 H SER 72 6.200 18.496 -2.088
546 HA SER 72 HA SER 72 8.283 17.730 -0.135
547 HB2 SER 72 2HB SER 72 7.061 19.157 1.405
548 HB3 SER 72 3HB SER 72 7.232 19.996 -0.136
549 HG SER 72 HG SER 72 5.013 19.434 1.161
550 H LYS 73 H LYS 73 5.457 16.316 -1.335
551 HA LYS 73 HA LYS 73 4.851 14.896 1.234
552 HB2 LYS 73 2HB LYS 73 2.929 15.913 0.111
553 HB3 LYS 73 3HB LYS 73 3.326 15.084 -1.387
554 HG2 LYS 73 2HG LYS 73 1.492 13.935 -0.236
555 HG3 LYS 73 3HG LYS 73 2.907 12.893 -0.276
556 HD2 LYS 73 2HD LYS 73 3.401 13.290 2.032
557 HD3 LYS 73 3HD LYS 73 2.310 14.675 2.108
558 HE2 LYS 73 2HE LYS 73 1.284 12.738 3.197
559 HE3 LYS 73 3HE LYS 73 0.390 13.121 1.726
560 HZ1 LYS 73 3HZ LYS 73 2.614 11.254 1.471
561 HZ2 LYS 73 1HZ LYS 73 1.108 11.261 0.690
562 HZ3 LYS 73 2HZ LYS 73 1.234 10.687 2.283
563 H LEU 74 H LEU 74 5.721 12.920 1.490
564 HA LEU 74 HA LEU 74 6.944 11.499 -0.805
565 HB2 LEU 74 2HB LEU 74 6.835 10.955 2.179
566 HB3 LEU 74 3HB LEU 74 7.602 9.852 1.043
567 HG LEU 74 HG LEU 74 8.384 12.785 1.219
568 HD11 LEU 74 1HD1 LEU 74 8.738 11.797 3.427
569 HD12 LEU 74 2HD1 LEU 74 10.292 12.039 2.630
570 HD13 LEU 74 3HD1 LEU 74 9.581 10.426 2.706
571 HD21 LEU 74 3HD2 LEU 74 9.224 11.806 -0.800
572 HD22 LEU 74 1HD2 LEU 74 9.647 10.298 0.007
573 HD23 LEU 74 2HD2 LEU 74 10.578 11.760 0.312
574 H HIS 75 H HIS 75 5.929 9.872 -1.875
575 HA HIS 75 HA HIS 75 3.279 8.933 -0.841
576 HB2 HIS 75 2HB HIS 75 4.620 8.756 -3.557
577 HB3 HIS 75 3HB HIS 75 3.087 7.969 -3.179
578 HD1 HIS 75 HD1 HIS 75 2.010 10.325 -1.339
579 HD2 HIS 75 HD2 HIS 75 3.487 10.761 -5.213
580 HE1 HIS 75 HE1 HIS 75 1.017 12.468 -2.243
581 H SER 76 H SER 76 3.321 7.095 0.312
582 HA SER 76 HA SER 76 5.583 5.286 0.303
583 HB2 SER 76 2HB SER 76 2.786 4.959 1.435
584 HB3 SER 76 3HB SER 76 4.143 3.887 1.768
585 HG SER 76 HG SER 76 4.616 6.588 2.127
586 H GLU 77 H GLU 77 5.730 3.254 -0.660
587 HA GLU 77 HA GLU 77 3.482 2.276 -2.357
588 HB2 GLU 77 2HB GLU 77 6.297 2.823 -3.357
589 HB3 GLU 77 3HB GLU 77 5.101 1.870 -4.233
590 HG2 GLU 77 2HG GLU 77 3.577 3.811 -4.274
591 HG3 GLU 77 3HG GLU 77 4.776 4.771 -3.410
592 H ILE 78 H ILE 78 3.618 0.026 -2.756
593 HA ILE 78 HA ILE 78 5.845 -1.491 -1.480
594 HB ILE 78 HB ILE 78 4.174 -2.955 -0.332
595 HG12 ILE 78 2HG1 ILE 78 2.209 -0.747 -1.031
596 HG13 ILE 78 3HG1 ILE 78 2.233 -2.328 -1.809
597 HG21 ILE 78 1HG2 ILE 78 3.948 -0.040 0.469
598 HG22 ILE 78 2HG2 ILE 78 5.341 -1.059 0.825
599 HG23 ILE 78 3HG2 ILE 78 3.768 -1.442 1.517
600 HD11 ILE 78 3HD1 ILE 78 0.576 -2.357 -0.041
601 HD12 ILE 78 1HD1 ILE 78 1.756 -1.778 1.131
602 HD13 ILE 78 2HD1 ILE 78 1.926 -3.388 0.433
603 H ARG 79 H ARG 79 6.099 -3.587 -2.330
604 HA ARG 79 HA ARG 79 4.199 -4.618 -4.318
605 HB2 ARG 79 2HB ARG 79 6.035 -4.799 -6.082
606 HB3 ARG 79 3HB ARG 79 5.387 -3.182 -5.827
607 HG2 ARG 79 2HG ARG 79 7.293 -2.493 -4.558
608 HG3 ARG 79 3HG ARG 79 7.857 -4.153 -4.372
609 HD2 ARG 79 2HD ARG 79 9.221 -3.054 -6.053
610 HD3 ARG 79 3HD ARG 79 8.237 -4.270 -6.838
611 HE ARG 79 HE ARG 79 7.523 -1.357 -6.854
612 HH11 ARG 79 1HH2 ARG 79 7.549 -4.460 -8.444
613 HH12 ARG 79 2HH2 ARG 79 7.225 -3.781 -10.001
614 HH21 ARG 79 1HH1 ARG 79 7.134 -0.521 -8.873
615 HH22 ARG 79 2HH1 ARG 79 6.997 -1.564 -10.243
616 H LEU 80 H LEU 80 4.743 -6.839 -4.924
617 HA LEU 80 HA LEU 80 5.956 -8.294 -2.727
618 HB2 LEU 80 2HB LEU 80 5.082 -9.225 -5.481
619 HB3 LEU 80 3HB LEU 80 5.489 -10.289 -4.138
620 HG LEU 80 HG LEU 80 3.287 -8.199 -4.029
621 HD11 LEU 80 1HD1 LEU 80 1.735 -10.143 -4.271
622 HD12 LEU 80 2HD1 LEU 80 3.127 -11.170 -4.620
623 HD13 LEU 80 3HD1 LEU 80 2.707 -9.850 -5.714
624 HD21 LEU 80 3HD2 LEU 80 4.216 -10.391 -2.150
625 HD22 LEU 80 1HD2 LEU 80 2.545 -9.831 -2.110
626 HD23 LEU 80 2HD2 LEU 80 3.852 -8.703 -1.793
627 H ARG 81 H ARG 81 7.980 -9.147 -2.592
628 HA ARG 81 HA ARG 81 10.087 -8.100 -4.210
629 HB2 ARG 81 2HB ARG 81 10.371 -8.897 -1.875
630 HB3 ARG 81 3HB ARG 81 10.090 -10.548 -2.421
631 HG2 ARG 81 2HG ARG 81 12.081 -10.437 -3.857
632 HG3 ARG 81 3HG ARG 81 12.333 -8.754 -3.395
633 HD2 ARG 81 2HD ARG 81 13.757 -10.429 -2.131
634 HD3 ARG 81 3HD ARG 81 12.787 -9.368 -1.111
635 HE ARG 81 HE ARG 81 11.233 -11.676 -1.570
636 HH11 ARG 81 1HH2 ARG 81 14.267 -10.808 -0.180
637 HH12 ARG 81 2HH2 ARG 81 14.225 -12.061 1.013
638 HH21 ARG 81 1HH1 ARG 81 11.153 -13.294 -0.018
639 HH22 ARG 81 2HH1 ARG 81 12.457 -13.471 1.107
640 H HIS 82 H HIS 82 8.434 -11.255 -4.232
641 HA HIS 82 HA HIS 82 10.066 -12.557 -6.140
642 HB2 HIS 82 2HB HIS 82 7.084 -12.785 -5.631
643 HB3 HIS 82 3HB HIS 82 7.983 -13.892 -6.667
644 HD1 HIS 82 HD1 HIS 82 7.868 -12.706 -3.058
645 HD2 HIS 82 HD2 HIS 82 9.344 -15.902 -5.293
646 HE1 HIS 82 HE1 HIS 82 8.741 -14.404 -1.392
647 H ASP 83 H ASP 83 7.266 -10.407 -6.642
648 HA ASP 83 HA ASP 83 7.436 -10.633 -9.562
649 HB2 ASP 83 2HB ASP 83 5.885 -8.767 -7.740
650 HB3 ASP 83 3HB ASP 83 5.733 -8.781 -9.496
651 H GLY 84 H GLY 84 9.266 -9.020 -7.268
652 HA2 GLY 84 2HA GLY 84 9.736 -6.541 -8.772
653 HA3 GLY 84 3HA GLY 84 10.607 -7.066 -7.332
654 H LEU 85 H LEU 85 10.678 -9.706 -9.257
655 HA LEU 85 HA LEU 85 13.460 -9.251 -9.994
656 HB2 LEU 85 2HB LEU 85 12.653 -11.475 -9.288
657 HB3 LEU 85 3HB LEU 85 11.568 -11.529 -10.671
658 HG LEU 85 HG LEU 85 13.486 -11.509 -12.209
659 HD11 LEU 85 1HD1 LEU 85 15.807 -11.923 -11.067
660 HD12 LEU 85 2HD1 LEU 85 15.070 -11.165 -9.656
661 HD13 LEU 85 3HD1 LEU 85 15.204 -10.275 -11.174
662 HD21 LEU 85 3HD2 LEU 85 13.714 -13.567 -9.993
663 HD22 LEU 85 1HD2 LEU 85 14.399 -13.737 -11.610
664 HD23 LEU 85 2HD2 LEU 85 12.650 -13.663 -11.396
665 H GLU 86 H GLU 86 14.163 -8.404 -11.881
666 HA GLU 86 HA GLU 86 12.272 -7.594 -13.948
667 HB2 GLU 86 2HB GLU 86 14.309 -6.744 -15.104
668 HB3 GLU 86 3HB GLU 86 14.186 -6.173 -13.442
669 HG2 GLU 86 2HG GLU 86 15.722 -8.005 -12.733
670 HG3 GLU 86 3HG GLU 86 15.899 -8.479 -14.423
671 H HIS 87 H HIS 87 12.103 -8.421 -16.052
672 HA HIS 87 HA HIS 87 12.008 -10.150 -17.637
673 HB2 HIS 87 2HB HIS 87 14.342 -9.257 -17.920
674 HB3 HIS 87 3HB HIS 87 14.907 -10.518 -16.828
675 HD1 HIS 87 HD1 HIS 87 14.956 -12.943 -17.715
676 HD2 HIS 87 HD2 HIS 87 13.465 -10.197 -20.476
677 HE1 HIS 87 HE1 HIS 87 14.836 -14.153 -19.937
678 H HIS 88 H HIS 88 10.644 -11.673 -16.664
679 HA HIS 88 HA HIS 88 11.583 -13.527 -14.620
680 HB2 HIS 88 2HB HIS 88 9.108 -13.566 -16.377
681 HB3 HIS 88 3HB HIS 88 9.398 -14.657 -15.022
682 HD1 HIS 88 HD1 HIS 88 9.759 -13.415 -12.626
683 HD2 HIS 88 HD2 HIS 88 7.991 -11.139 -15.638
684 HE1 HIS 88 HE1 HIS 88 8.666 -11.438 -11.483
685 H HIS 89 H HIS 89 12.519 -15.507 -14.942
686 HA HIS 89 HA HIS 89 13.312 -16.279 -17.654
687 HB2 HIS 89 2HB HIS 89 14.792 -16.607 -15.674
688 HB3 HIS 89 3HB HIS 89 13.641 -17.783 -15.038
689 HD1 HIS 89 HD1 HIS 89 13.461 -20.071 -16.262
690 HD2 HIS 89 HD2 HIS 89 16.323 -17.518 -17.896
691 HE1 HIS 89 HE1 HIS 89 14.862 -21.477 -17.834
692 H HIS 90 H HIS 90 10.525 -16.731 -15.846
693 HA HIS 90 HA HIS 90 9.855 -19.451 -16.352
694 HB2 HIS 90 2HB HIS 90 8.084 -16.998 -16.106
695 HB3 HIS 90 3HB HIS 90 7.476 -18.654 -16.134
696 HD1 HIS 90 HD1 HIS 90 9.209 -16.178 -13.953
697 HD2 HIS 90 HD2 HIS 90 8.177 -20.215 -13.807
698 HE1 HIS 90 HE1 HIS 90 9.525 -16.912 -11.550
699 H HIS 91 H HIS 91 9.330 -16.527 -18.322
700 HA HIS 91 HA HIS 91 9.194 -18.215 -20.750
701 HB2 HIS 91 2HB HIS 91 7.059 -17.209 -21.490
702 HB3 HIS 91 3HB HIS 91 6.846 -18.124 -19.998
703 HD1 HIS 91 HD1 HIS 91 6.413 -16.786 -17.813
704 HD2 HIS 91 HD2 HIS 91 6.765 -14.387 -21.206
705 HE1 HIS 91 HE1 HIS 91 5.608 -14.480 -17.148
706 H HIS 92 H HIS 92 10.683 -15.855 -19.347
707 HA HIS 92 HA HIS 92 11.612 -13.773 -19.942
708 HB2 HIS 92 2HB HIS 92 12.754 -13.853 -22.112
709 HB3 HIS 92 3HB HIS 92 12.918 -15.392 -21.266
710 HD1 HIS 92 HD1 HIS 92 10.841 -13.781 -24.016
711 HD2 HIS 92 HD2 HIS 92 11.905 -17.577 -22.659
712 HE1 HIS 92 HE1 HIS 92 9.956 -15.425 -25.725
Start of MODEL 8
1 H1 MET 1 1H MET 1 -5.933 -4.579 22.765
2 H2 MET 1 2H MET 1 -4.572 -4.666 21.752
3 H3 MET 1 3H MET 1 -4.650 -5.617 23.157
4 HA MET 1 HA MET 1 -5.502 -7.260 21.953
5 HB2 MET 1 2HB MET 1 -7.701 -5.201 21.579
6 HB3 MET 1 3HB MET 1 -7.854 -6.874 21.040
7 HG2 MET 1 2HG MET 1 -8.866 -6.692 23.230
8 HG3 MET 1 3HG MET 1 -7.373 -7.609 23.395
9 HE1 MET 1 3HE MET 1 -6.632 -7.369 25.666
10 HE2 MET 1 1HE MET 1 -8.274 -6.806 26.000
11 HE3 MET 1 2HE MET 1 -6.891 -5.959 26.691
12 HA PRO 2 HA PRO 2 -4.178 -5.060 17.942
13 HB2 PRO 2 2HB PRO 2 -1.705 -6.236 17.661
14 HB3 PRO 2 3HB PRO 2 -1.960 -4.750 18.604
15 HG2 PRO 2 2HG PRO 2 -1.819 -7.589 19.585
16 HG3 PRO 2 3HG PRO 2 -0.973 -6.152 20.203
17 HD2 PRO 2 2HD PRO 2 -3.210 -7.044 21.414
18 HD3 PRO 2 3HD PRO 2 -2.918 -5.297 21.242
19 H HIS 3 H HIS 3 -4.286 -6.047 15.880
20 HA HIS 3 HA HIS 3 -4.265 -9.005 15.657
21 HB2 HIS 3 2HB HIS 3 -6.511 -8.995 14.568
22 HB3 HIS 3 3HB HIS 3 -6.585 -8.544 16.272
23 HD1 HIS 3 HD1 HIS 3 -6.989 -7.158 12.820
24 HD2 HIS 3 HD2 HIS 3 -7.196 -5.791 16.751
25 HE1 HIS 3 HE1 HIS 3 -8.042 -4.856 12.724
26 H LYS 4 H LYS 4 -3.852 -9.673 13.512
27 HA LYS 4 HA LYS 4 -2.735 -7.601 11.747
28 HB2 LYS 4 2HB LYS 4 -2.965 -10.615 11.493
29 HB3 LYS 4 3HB LYS 4 -2.158 -9.588 10.310
30 HG2 LYS 4 2HG LYS 4 -0.603 -8.786 12.034
31 HG3 LYS 4 3HG LYS 4 -1.422 -9.768 13.248
32 HD2 LYS 4 2HD LYS 4 -0.848 -11.811 11.953
33 HD3 LYS 4 3HD LYS 4 0.026 -10.808 10.793
34 HE2 LYS 4 2HE LYS 4 0.651 -10.907 13.759
35 HE3 LYS 4 3HE LYS 4 1.514 -11.837 12.534
36 HZ1 LYS 4 3HZ LYS 4 1.252 -8.881 12.539
37 HZ2 LYS 4 1HZ LYS 4 2.166 -9.813 11.455
38 HZ3 LYS 4 2HZ LYS 4 2.615 -9.732 13.090
39 H GLU 5 H GLU 5 -4.644 -10.363 10.612
40 HA GLU 5 HA GLU 5 -6.945 -8.828 9.795
41 HB2 GLU 5 2HB GLU 5 -5.191 -7.942 8.201
42 HB3 GLU 5 3HB GLU 5 -5.012 -9.573 7.575
43 HG2 GLU 5 2HG GLU 5 -6.529 -8.397 6.116
44 HG3 GLU 5 3HG GLU 5 -7.486 -9.552 7.034
45 H LYS 6 H LYS 6 -8.563 -10.215 8.977
46 HA LYS 6 HA LYS 6 -8.311 -12.997 9.609
47 HB2 LYS 6 2HB LYS 6 -10.466 -11.740 9.597
48 HB3 LYS 6 3HB LYS 6 -10.376 -11.646 7.841
49 HG2 LYS 6 2HG LYS 6 -10.424 -14.098 7.684
50 HG3 LYS 6 3HG LYS 6 -10.441 -14.222 9.444
51 HD2 LYS 6 2HD LYS 6 -12.587 -13.000 9.505
52 HD3 LYS 6 3HD LYS 6 -12.573 -12.894 7.743
53 HE2 LYS 6 2HE LYS 6 -12.582 -15.357 7.590
54 HE3 LYS 6 3HE LYS 6 -12.592 -15.469 9.350
55 HZ1 LYS 6 3HZ LYS 6 -14.693 -14.236 9.350
56 HZ2 LYS 6 1HZ LYS 6 -14.814 -15.700 8.500
57 HZ3 LYS 6 2HZ LYS 6 -14.690 -14.234 7.650
58 H HIS 7 H HIS 7 -9.274 -11.867 6.375
59 HA HIS 7 HA HIS 7 -8.473 -14.119 4.984
60 HB2 HIS 7 2HB HIS 7 -8.353 -11.256 4.001
61 HB3 HIS 7 3HB HIS 7 -8.400 -12.689 2.968
62 HD1 HIS 7 HD1 HIS 7 -10.548 -14.393 3.956
63 HD2 HIS 7 HD2 HIS 7 -10.916 -10.246 4.170
64 HE1 HIS 7 HE1 HIS 7 -13.025 -13.903 4.168
65 HA PRO 8 HA PRO 8 -3.988 -14.331 5.051
66 HB2 PRO 8 2HB PRO 8 -4.038 -14.521 2.047
67 HB3 PRO 8 3HB PRO 8 -3.249 -15.590 3.224
68 HG2 PRO 8 2HG PRO 8 -5.536 -16.276 1.962
69 HG3 PRO 8 3HG PRO 8 -5.173 -16.796 3.617
70 HD2 PRO 8 2HD PRO 8 -7.153 -14.754 2.694
71 HD3 PRO 8 3HD PRO 8 -7.134 -15.736 4.179
72 H LEU 9 H LEU 9 -2.450 -12.723 5.104
73 HA LEU 9 HA LEU 9 -3.018 -10.085 4.125
74 HB2 LEU 9 2HB LEU 9 -0.561 -11.433 5.271
75 HB3 LEU 9 3HB LEU 9 -0.449 -9.791 4.643
76 HG LEU 9 HG LEU 9 -2.253 -9.084 6.179
77 HD11 LEU 9 1HD1 LEU 9 -2.118 -11.987 7.054
78 HD12 LEU 9 2HD1 LEU 9 -3.527 -11.100 6.472
79 HD13 LEU 9 3HD1 LEU 9 -2.841 -10.720 8.049
80 HD21 LEU 9 3HD2 LEU 9 0.087 -8.882 6.888
81 HD22 LEU 9 1HD2 LEU 9 0.068 -10.541 7.486
82 HD23 LEU 9 2HD2 LEU 9 -0.919 -9.309 8.271
83 H GLN 10 H GLN 10 -0.945 -12.717 2.911
84 HA GLN 10 HA GLN 10 0.296 -11.321 0.802
85 HB2 GLN 10 2HB GLN 10 0.890 -13.633 1.498
86 HB3 GLN 10 3HB GLN 10 -0.620 -14.215 0.799
87 HG2 GLN 10 2HG GLN 10 0.086 -13.473 -1.425
88 HG3 GLN 10 3HG GLN 10 1.555 -12.777 -0.748
89 HE21 GLN 10 1HE2 GLN 10 3.332 -14.107 -1.001
90 HE22 GLN 10 2HE2 GLN 10 3.289 -15.802 -1.041
91 H ASP 11 H ASP 11 -2.788 -13.125 0.752
92 HA ASP 11 HA ASP 11 -3.399 -12.500 -1.981
93 HB2 ASP 11 2HB ASP 11 -5.167 -13.237 0.371
94 HB3 ASP 11 3HB ASP 11 -5.776 -13.049 -1.273
95 H MET 12 H MET 12 -4.140 -10.856 1.088
96 HA MET 12 HA MET 12 -5.899 -8.888 0.012
97 HB2 MET 12 2HB MET 12 -5.537 -9.396 2.452
98 HB3 MET 12 3HB MET 12 -3.993 -8.555 2.347
99 HG2 MET 12 2HG MET 12 -5.163 -6.499 1.635
100 HG3 MET 12 3HG MET 12 -6.707 -7.345 1.738
101 HE1 MET 12 3HE MET 12 -8.181 -6.877 3.957
102 HE2 MET 12 1HE MET 12 -7.527 -5.490 3.080
103 HE3 MET 12 2HE MET 12 -7.503 -5.513 4.840
104 H PHE 13 H PHE 13 -2.374 -8.641 0.707
105 HA PHE 13 HA PHE 13 -2.160 -6.042 -0.548
106 HB2 PHE 13 2HB PHE 13 -0.062 -8.117 0.163
107 HB3 PHE 13 3HB PHE 13 0.327 -6.526 -0.482
108 HD1 PHE 13 HD1 PHE 13 -0.848 -4.492 0.737
109 HD2 PHE 13 HD2 PHE 13 -0.184 -8.339 2.539
110 HE1 PHE 13 HE1 PHE 13 -1.023 -3.473 2.988
111 HE2 PHE 13 HE2 PHE 13 -0.365 -7.316 4.786
112 HZ PHE 13 HZ PHE 13 -0.784 -4.882 5.011
113 H THR 14 H THR 14 -1.509 -9.364 -1.669
114 HA THR 14 HA THR 14 -0.422 -8.629 -4.202
115 HB THR 14 HB THR 14 -2.015 -11.101 -3.453
116 HG1 THR 14 HG1 THR 14 0.326 -11.843 -3.455
117 HG21 THR 14 3HG2 THR 14 -1.889 -10.970 -5.849
118 HG22 THR 14 1HG2 THR 14 -0.648 -12.113 -5.338
119 HG23 THR 14 2HG2 THR 14 -0.197 -10.471 -5.794
120 H SER 15 H SER 15 -3.781 -9.430 -3.272
121 HA SER 15 HA SER 15 -4.894 -9.072 -5.871
122 HB2 SER 15 2HB SER 15 -6.199 -8.632 -3.172
123 HB3 SER 15 3HB SER 15 -7.050 -8.830 -4.699
124 HG SER 15 HG SER 15 -5.259 -10.713 -3.547
125 H ALA 16 H ALA 16 -4.504 -6.755 -3.174
126 HA ALA 16 HA ALA 16 -5.756 -4.579 -4.609
127 HB1 ALA 16 3HB ALA 16 -3.792 -4.414 -2.306
128 HB2 ALA 16 1HB ALA 16 -5.519 -4.708 -2.114
129 HB3 ALA 16 2HB ALA 16 -4.954 -3.184 -2.800
130 H ILE 17 H ILE 17 -2.326 -5.389 -3.967
131 HA ILE 17 HA ILE 17 -1.259 -3.155 -5.389
132 HB ILE 17 HB ILE 17 -0.105 -5.909 -4.833
133 HG12 ILE 17 2HG1 ILE 17 0.525 -3.237 -3.517
134 HG13 ILE 17 3HG1 ILE 17 -0.701 -4.336 -2.890
135 HG21 ILE 17 1HG2 ILE 17 1.165 -5.036 -6.681
136 HG22 ILE 17 2HG2 ILE 17 2.125 -4.714 -5.242
137 HG23 ILE 17 3HG2 ILE 17 1.193 -3.417 -5.983
138 HD11 ILE 17 3HD1 ILE 17 1.377 -4.752 -1.710
139 HD12 ILE 17 1HD1 ILE 17 2.253 -4.923 -3.229
140 HD13 ILE 17 2HD1 ILE 17 1.055 -6.129 -2.758
141 H GLU 18 H GLU 18 -1.997 -6.476 -6.469
142 HA GLU 18 HA GLU 18 -1.048 -6.096 -9.147
143 HB2 GLU 18 2HB GLU 18 -1.491 -8.318 -8.063
144 HB3 GLU 18 3HB GLU 18 -3.218 -7.990 -8.202
145 HG2 GLU 18 2HG GLU 18 -3.029 -7.841 -10.635
146 HG3 GLU 18 3HG GLU 18 -1.282 -8.075 -10.535
147 H ALA 19 H ALA 19 -4.185 -5.508 -7.608
148 HA ALA 19 HA ALA 19 -5.687 -5.080 -9.998
149 HB1 ALA 19 3HB ALA 19 -6.757 -5.363 -7.812
150 HB2 ALA 19 1HB ALA 19 -7.248 -3.832 -8.536
151 HB3 ALA 19 2HB ALA 19 -6.039 -3.851 -7.252
152 H VAL 20 H VAL 20 -4.279 -2.606 -7.802
153 HA VAL 20 HA VAL 20 -4.471 -0.602 -10.014
154 HB VAL 20 HB VAL 20 -3.822 1.025 -8.174
155 HG11 VAL 20 1HG1 VAL 20 -6.269 -0.660 -7.586
156 HG12 VAL 20 2HG1 VAL 20 -6.191 0.552 -8.863
157 HG13 VAL 20 3HG1 VAL 20 -6.033 1.038 -7.176
158 HG21 VAL 20 3HG2 VAL 20 -4.382 -1.297 -6.320
159 HG22 VAL 20 1HG2 VAL 20 -3.829 0.315 -5.889
160 HG23 VAL 20 2HG2 VAL 20 -2.749 -0.788 -6.738
161 H ALA 21 H ALA 21 -2.389 -2.805 -9.906
162 HA ALA 21 HA ALA 21 0.133 -1.810 -9.153
163 HB1 ALA 21 3HB ALA 21 0.870 -3.319 -11.230
164 HB2 ALA 21 1HB ALA 21 -0.836 -3.756 -11.237
165 HB3 ALA 21 2HB ALA 21 0.146 -4.071 -9.810
166 H ARG 22 H ARG 22 -1.788 -1.060 -12.046
167 HA ARG 22 HA ARG 22 -1.373 0.423 -13.838
168 HB2 ARG 22 2HB ARG 22 0.108 1.907 -11.634
169 HB3 ARG 22 3HB ARG 22 -0.366 2.599 -13.184
170 HG2 ARG 22 2HG ARG 22 -2.751 2.236 -12.612
171 HG3 ARG 22 3HG ARG 22 -2.227 1.517 -11.082
172 HD2 ARG 22 2HD ARG 22 -1.120 3.597 -10.439
173 HD3 ARG 22 3HD ARG 22 -1.527 4.331 -11.972
174 HE ARG 22 HE ARG 22 -3.220 5.186 -10.564
175 HH11 ARG 22 1HH2 ARG 22 -3.782 1.775 -10.920
176 HH12 ARG 22 2HH2 ARG 22 -4.918 1.734 -9.642
177 HH21 ARG 22 1HH1 ARG 22 -4.733 5.100 -8.974
178 HH22 ARG 22 2HH1 ARG 22 -5.477 3.591 -8.555
179 H ASP 23 H ASP 23 1.622 1.475 -12.420
180 HA ASP 23 HA ASP 23 3.148 0.992 -14.763
181 HB2 ASP 23 2HB ASP 23 3.711 2.644 -13.013
182 HB3 ASP 23 3HB ASP 23 4.081 1.326 -11.906
183 H SER 24 H SER 24 3.262 -0.777 -11.630
184 HA SER 24 HA SER 24 3.603 -3.334 -12.928
185 HB2 SER 24 2HB SER 24 5.947 -3.749 -12.264
186 HB3 SER 24 3HB SER 24 5.845 -2.409 -13.396
187 HG SER 24 HG SER 24 6.970 -1.472 -11.864
188 H GLY 25 H GLY 25 5.095 -4.603 -10.871
189 HA2 GLY 25 2HA GLY 25 3.149 -5.184 -8.951
190 HA3 GLY 25 3HA GLY 25 4.877 -5.415 -8.681
191 H TRP 26 H TRP 26 5.103 -2.341 -9.185
192 HA TRP 26 HA TRP 26 4.875 -1.613 -6.341
193 HB2 TRP 26 2HB TRP 26 5.737 -0.029 -8.787
194 HB3 TRP 26 3HB TRP 26 5.813 0.570 -7.131
195 HD1 TRP 26 HD1 TRP 26 7.765 -1.351 -9.617
196 HE1 TRP 26 HE1 TRP 26 9.848 -2.394 -8.515
197 HE3 TRP 26 HE3 TRP 26 6.615 -0.640 -4.687
198 HZ2 TRP 26 HZ2 TRP 26 10.889 -2.866 -5.896
199 HZ3 TRP 26 HZ3 TRP 26 8.169 -1.402 -2.913
200 HH2 TRP 26 HH2 TRP 26 10.302 -2.514 -3.512
201 H ALA 27 H ALA 27 3.271 -0.339 -5.474
202 HA ALA 27 HA ALA 27 1.379 1.115 -7.267
203 HB1 ALA 27 3HB ALA 27 -0.560 0.117 -6.185
204 HB2 ALA 27 1HB ALA 27 0.479 -0.835 -5.125
205 HB3 ALA 27 2HB ALA 27 0.441 -1.169 -6.855
206 H GLU 28 H GLU 28 0.454 2.926 -6.247
207 HA GLU 28 HA GLU 28 1.883 4.065 -4.051
208 HB2 GLU 28 2HB GLU 28 -0.818 4.755 -5.245
209 HB3 GLU 28 3HB GLU 28 0.008 5.751 -4.045
210 HG2 GLU 28 2HG GLU 28 1.917 6.038 -5.542
211 HG3 GLU 28 3HG GLU 28 1.173 4.971 -6.732
212 H LEU 29 H LEU 29 1.595 3.841 -1.875
213 HA LEU 29 HA LEU 29 -0.017 1.819 -0.775
214 HB2 LEU 29 2HB LEU 29 1.929 2.876 0.365
215 HB3 LEU 29 3HB LEU 29 0.981 4.338 0.592
216 HG LEU 29 HG LEU 29 -0.678 2.996 1.934
217 HD11 LEU 29 1HD1 LEU 29 -0.423 0.744 1.251
218 HD12 LEU 29 2HD1 LEU 29 0.341 0.761 2.830
219 HD13 LEU 29 3HD1 LEU 29 1.334 0.802 1.377
220 HD21 LEU 29 3HD2 LEU 29 2.174 2.827 2.956
221 HD22 LEU 29 1HD2 LEU 29 0.709 2.903 3.935
222 HD23 LEU 29 2HD2 LEU 29 1.200 4.297 2.970
223 H SER 30 H SER 30 -0.709 5.288 -1.167
224 HA SER 30 HA SER 30 -3.139 5.373 0.293
225 HB2 SER 30 2HB SER 30 -3.705 7.314 -1.148
226 HB3 SER 30 3HB SER 30 -2.038 7.396 -0.583
227 HG SER 30 HG SER 30 -1.337 6.979 -2.558
228 H ALA 31 H ALA 31 -2.513 4.460 -3.087
229 HA ALA 31 HA ALA 31 -5.256 4.079 -3.814
230 HB1 ALA 31 3HB ALA 31 -3.322 4.233 -5.423
231 HB2 ALA 31 1HB ALA 31 -4.397 2.872 -5.733
232 HB3 ALA 31 2HB ALA 31 -2.849 2.606 -4.930
233 H VAL 32 H VAL 32 -2.854 1.933 -2.330
234 HA VAL 32 HA VAL 32 -4.352 -0.489 -2.542
235 HB VAL 32 HB VAL 32 -2.364 0.400 -0.423
236 HG11 VAL 32 1HG1 VAL 32 -3.605 -1.476 0.460
237 HG12 VAL 32 2HG1 VAL 32 -2.061 -2.100 -0.115
238 HG13 VAL 32 3HG1 VAL 32 -3.516 -2.328 -1.082
239 HG21 VAL 32 3HG2 VAL 32 -1.991 -1.336 -2.886
240 HG22 VAL 32 1HG2 VAL 32 -0.731 -0.811 -1.770
241 HG23 VAL 32 2HG2 VAL 32 -1.547 0.368 -2.796
242 H GLY 33 H GLY 33 -4.195 1.909 0.113
243 HA2 GLY 33 2HA GLY 33 -6.094 0.597 1.793
244 HA3 GLY 33 3HA GLY 33 -5.708 2.317 1.868
245 H SER 34 H SER 34 -6.557 3.222 -0.593
246 HA SER 34 HA SER 34 -9.385 3.435 -0.234
247 HB2 SER 34 2HB SER 34 -8.304 5.209 -1.410
248 HB3 SER 34 3HB SER 34 -7.547 4.094 -2.543
249 HG SER 34 HG SER 34 -10.013 5.235 -2.591
250 H TYR 35 H TYR 35 -7.437 1.490 -2.501
251 HA TYR 35 HA TYR 35 -9.606 0.362 -3.955
252 HB2 TYR 35 2HB TYR 35 -7.264 0.160 -4.680
253 HB3 TYR 35 3HB TYR 35 -6.903 -0.852 -3.284
254 HD1 TYR 35 HD2 TYR 35 -8.854 -0.641 -6.436
255 HD2 TYR 35 HD1 TYR 35 -7.497 -3.205 -3.265
256 HE1 TYR 35 HE2 TYR 35 -9.605 -2.627 -7.720
257 HE2 TYR 35 HE1 TYR 35 -8.249 -5.190 -4.550
258 HH TYR 35 HH TYR 35 -8.688 -5.381 -7.546
259 H LEU 36 H LEU 36 -7.923 -0.817 -1.038
260 HA LEU 36 HA LEU 36 -9.505 -3.182 -0.729
261 HB2 LEU 36 2HB LEU 36 -7.995 -1.509 1.294
262 HB3 LEU 36 3HB LEU 36 -8.740 -3.057 1.686
263 HG LEU 36 HG LEU 36 -6.702 -2.711 -0.543
264 HD11 LEU 36 1HD1 LEU 36 -5.636 -2.120 1.575
265 HD12 LEU 36 2HD1 LEU 36 -5.071 -3.713 1.065
266 HD13 LEU 36 3HD1 LEU 36 -6.283 -3.573 2.337
267 HD21 LEU 36 3HD2 LEU 36 -6.452 -5.278 0.024
268 HD22 LEU 36 1HD2 LEU 36 -7.821 -4.764 -0.947
269 HD23 LEU 36 2HD2 LEU 36 -8.037 -5.105 0.766
270 H ALA 37 H ALA 37 -9.930 0.131 0.443
271 HA ALA 37 HA ALA 37 -12.106 -0.284 2.190
272 HB1 ALA 37 3HB ALA 37 -11.766 2.066 0.302
273 HB2 ALA 37 1HB ALA 37 -10.909 1.897 1.833
274 HB3 ALA 37 2HB ALA 37 -12.665 2.054 1.819
275 H LYS 38 H LYS 38 -12.160 0.311 -1.340
276 HA LYS 38 HA LYS 38 -15.011 0.172 -1.605
277 HB2 LYS 38 2HB LYS 38 -12.793 -0.423 -3.590
278 HB3 LYS 38 3HB LYS 38 -14.499 -0.290 -4.020
279 HG2 LYS 38 2HG LYS 38 -14.550 2.017 -3.181
280 HG3 LYS 38 3HG LYS 38 -12.857 1.891 -2.701
281 HD2 LYS 38 2HD LYS 38 -12.219 1.487 -5.053
282 HD3 LYS 38 3HD LYS 38 -13.910 1.632 -5.532
283 HE2 LYS 38 2HE LYS 38 -13.966 3.944 -4.688
284 HE3 LYS 38 3HE LYS 38 -12.284 3.805 -4.179
285 HZ1 LYS 38 3HZ LYS 38 -13.400 3.990 -6.882
286 HZ2 LYS 38 1HZ LYS 38 -11.961 3.121 -6.660
287 HZ3 LYS 38 2HZ LYS 38 -12.039 4.759 -6.219
288 H ASN 39 H ASN 39 -12.463 -2.302 -1.943
289 HA ASN 39 HA ASN 39 -14.228 -4.434 -2.675
290 HB2 ASN 39 2HB ASN 39 -11.501 -4.440 -1.349
291 HB3 ASN 39 3HB ASN 39 -12.318 -5.904 -1.905
292 HD21 ASN 39 1HD2 ASN 39 -10.395 -3.204 -2.917
293 HD22 ASN 39 2HD2 ASN 39 -10.433 -3.526 -4.583
294 H ASP 40 H ASP 40 -13.050 -3.310 0.501
295 HA ASP 40 HA ASP 40 -14.610 -5.421 1.862
296 HB2 ASP 40 2HB ASP 40 -13.125 -5.121 3.600
297 HB3 ASP 40 3HB ASP 40 -12.199 -4.170 2.452
298 HA PRO 41 HA PRO 41 -18.228 -3.027 2.867
299 HB2 PRO 41 2HB PRO 41 -17.548 -3.129 5.806
300 HB3 PRO 41 3HB PRO 41 -19.058 -3.600 4.989
301 HG2 PRO 41 2HG PRO 41 -17.360 -5.452 5.873
302 HG3 PRO 41 3HG PRO 41 -18.204 -5.659 4.326
303 HD2 PRO 41 2HD PRO 41 -15.329 -4.886 4.808
304 HD3 PRO 41 3HD PRO 41 -16.031 -5.904 3.530
305 H SER 42 H SER 42 -15.485 -2.124 4.934
306 HA SER 42 HA SER 42 -15.264 0.551 3.978
307 HB2 SER 42 2HB SER 42 -17.308 1.158 5.035
308 HB3 SER 42 3HB SER 42 -16.987 0.131 6.428
309 HG SER 42 HG SER 42 -15.611 1.593 7.205
310 H PHE 43 H PHE 43 -13.064 -0.147 4.102
311 HA PHE 43 HA PHE 43 -11.819 -1.152 6.469
312 HB2 PHE 43 2HB PHE 43 -10.878 -1.146 4.089
313 HB3 PHE 43 3HB PHE 43 -10.439 0.539 4.355
314 HD1 PHE 43 HD2 PHE 43 -10.132 -2.844 5.942
315 HD2 PHE 43 HD1 PHE 43 -8.320 1.003 5.351
316 HE1 PHE 43 HE2 PHE 43 -8.094 -3.616 7.123
317 HE2 PHE 43 HE1 PHE 43 -6.284 0.230 6.525
318 HZ PHE 43 HZ PHE 43 -6.171 -2.081 7.413
319 H ASP 44 H ASP 44 -9.965 0.229 7.561
320 HA ASP 44 HA ASP 44 -10.948 3.015 8.150
321 HB2 ASP 44 2HB ASP 44 -10.024 0.953 10.176
322 HB3 ASP 44 3HB ASP 44 -10.519 2.609 10.530
323 HA PRO 45 HA PRO 45 -6.369 2.876 7.063
324 HB2 PRO 45 2HB PRO 45 -7.167 5.610 6.077
325 HB3 PRO 45 3HB PRO 45 -6.129 4.396 5.293
326 HG2 PRO 45 2HG PRO 45 -8.619 4.804 4.437
327 HG3 PRO 45 3HG PRO 45 -7.950 3.166 4.514
328 HD2 PRO 45 2HD PRO 45 -9.897 4.491 6.403
329 HD3 PRO 45 3HD PRO 45 -9.864 2.807 5.833
330 H ARG 46 H ARG 46 -8.357 5.450 8.486
331 HA ARG 46 HA ARG 46 -6.304 6.953 9.765
332 HB2 ARG 46 2HB ARG 46 -9.195 6.449 10.535
333 HB3 ARG 46 3HB ARG 46 -8.175 7.655 11.315
334 HG2 ARG 46 2HG ARG 46 -7.953 8.922 9.287
335 HG3 ARG 46 3HG ARG 46 -8.666 7.628 8.318
336 HD2 ARG 46 2HD ARG 46 -10.121 9.143 10.517
337 HD3 ARG 46 3HD ARG 46 -10.294 9.475 8.789
338 HE ARG 46 HE ARG 46 -11.257 7.044 10.220
339 HH11 ARG 46 1HH2 ARG 46 -11.057 8.912 7.301
340 HH12 ARG 46 2HH2 ARG 46 -12.019 7.802 6.396
341 HH21 ARG 46 1HH1 ARG 46 -12.481 5.617 9.036
342 HH22 ARG 46 2HH1 ARG 46 -12.821 5.939 7.369
343 H ASN 47 H ASN 47 -8.094 4.066 10.773
344 HA ASN 47 HA ASN 47 -7.203 3.980 13.471
345 HB2 ASN 47 2HB ASN 47 -8.985 2.499 12.595
346 HB3 ASN 47 3HB ASN 47 -7.793 1.654 11.606
347 HD21 ASN 47 1HD2 ASN 47 -9.128 0.073 13.431
348 HD22 ASN 47 2HD2 ASN 47 -8.122 -0.308 14.743
349 H TRP 48 H TRP 48 -5.735 2.796 10.462
350 HA TRP 48 HA TRP 48 -3.388 1.720 11.881
351 HB2 TRP 48 2HB TRP 48 -3.989 2.113 8.929
352 HB3 TRP 48 3HB TRP 48 -2.557 1.299 9.562
353 HD1 TRP 48 HD1 TRP 48 -6.210 0.777 8.858
354 HE1 TRP 48 HE1 TRP 48 -6.886 -1.631 9.490
355 HE3 TRP 48 HE3 TRP 48 -2.005 -0.686 11.356
356 HZ2 TRP 48 HZ2 TRP 48 -5.781 -3.882 10.876
357 HZ3 TRP 48 HZ3 TRP 48 -1.845 -2.960 12.324
358 HH2 TRP 48 HH2 TRP 48 -3.724 -4.558 12.088
359 H GLY 49 H GLY 49 -4.056 4.573 12.206
360 HA2 GLY 49 2HA GLY 49 -2.836 6.574 12.392
361 HA3 GLY 49 3HA GLY 49 -1.411 5.664 11.900
362 H HIS 50 H HIS 50 -1.642 8.203 10.945
363 HA HIS 50 HA HIS 50 -3.028 8.408 8.432
364 HB2 HIS 50 2HB HIS 50 -1.614 10.409 8.076
365 HB3 HIS 50 3HB HIS 50 -2.324 10.399 9.690
366 HD1 HIS 50 HD1 HIS 50 0.945 9.989 7.888
367 HD2 HIS 50 HD2 HIS 50 -0.464 10.023 11.811
368 HE1 HIS 50 HE1 HIS 50 2.987 10.112 9.383
369 H GLY 51 H GLY 51 0.288 7.467 9.320
370 HA2 GLY 51 2HA GLY 51 0.623 6.241 6.612
371 HA3 GLY 51 3HA GLY 51 1.859 7.355 7.204
372 H ARG 52 H ARG 52 0.495 5.694 9.794
373 HA ARG 52 HA ARG 52 2.923 4.244 10.353
374 HB2 ARG 52 2HB ARG 52 1.227 5.105 12.043
375 HB3 ARG 52 3HB ARG 52 0.180 3.775 11.571
376 HG2 ARG 52 2HG ARG 52 1.945 2.162 12.224
377 HG3 ARG 52 3HG ARG 52 2.973 3.506 12.726
378 HD2 ARG 52 2HD ARG 52 1.036 4.207 14.279
379 HD3 ARG 52 3HD ARG 52 0.339 2.621 13.938
380 HE ARG 52 HE ARG 52 3.112 2.455 14.798
381 HH11 ARG 52 1HH2 ARG 52 -0.188 2.826 15.815
382 HH12 ARG 52 2HH2 ARG 52 0.084 2.137 17.379
383 HH21 ARG 52 1HH1 ARG 52 3.468 1.555 16.843
384 HH22 ARG 52 2HH1 ARG 52 2.151 1.419 17.961
385 H LEU 53 H LEU 53 0.282 3.619 8.317
386 HA LEU 53 HA LEU 53 0.060 0.785 8.501
387 HB2 LEU 53 2HB LEU 53 -1.548 2.208 7.265
388 HB3 LEU 53 3HB LEU 53 -0.296 2.601 6.095
389 HG LEU 53 HG LEU 53 -0.147 0.146 5.517
390 HD11 LEU 53 1HD1 LEU 53 -2.445 0.014 7.489
391 HD12 LEU 53 2HD1 LEU 53 -1.004 -0.996 7.423
392 HD13 LEU 53 3HD1 LEU 53 -2.261 -1.187 6.212
393 HD21 LEU 53 3HD2 LEU 53 -2.869 1.455 5.233
394 HD22 LEU 53 1HD2 LEU 53 -2.270 0.130 4.237
395 HD23 LEU 53 2HD2 LEU 53 -1.488 1.709 4.166
396 H SER 54 H SER 54 2.230 2.898 6.648
397 HA SER 54 HA SER 54 3.524 0.858 5.128
398 HB2 SER 54 2HB SER 54 5.388 2.475 4.928
399 HB3 SER 54 3HB SER 54 3.836 3.264 4.671
400 HG SER 54 HG SER 54 4.480 3.221 7.289
401 H GLN 55 H GLN 55 4.067 2.076 8.403
402 HA GLN 55 HA GLN 55 6.498 0.601 8.874
403 HB2 GLN 55 2HB GLN 55 4.444 1.652 10.847
404 HB3 GLN 55 3HB GLN 55 6.073 1.115 11.257
405 HG2 GLN 55 2HG GLN 55 5.462 3.372 9.324
406 HG3 GLN 55 3HG GLN 55 5.874 3.606 11.023
407 HE21 GLN 55 1HE2 GLN 55 8.093 3.397 11.640
408 HE22 GLN 55 2HE2 GLN 55 9.339 3.096 10.525
409 H MET 56 H MET 56 3.049 -0.153 9.380
410 HA MET 56 HA MET 56 3.435 -2.509 10.934
411 HB2 MET 56 2HB MET 56 1.235 -1.330 10.523
412 HB3 MET 56 3HB MET 56 1.225 -2.035 8.908
413 HG2 MET 56 2HG MET 56 -0.096 -3.476 10.307
414 HG3 MET 56 3HG MET 56 1.420 -4.318 10.013
415 HE1 MET 56 3HE MET 56 -0.617 -5.014 12.086
416 HE2 MET 56 1HE MET 56 0.179 -5.170 13.658
417 HE3 MET 56 2HE MET 56 0.895 -5.908 12.228
418 H VAL 57 H VAL 57 3.118 -2.125 7.394
419 HA VAL 57 HA VAL 57 3.537 -4.944 6.868
420 HB VAL 57 HB VAL 57 3.870 -4.182 4.501
421 HG11 VAL 57 1HG1 VAL 57 1.610 -4.617 5.395
422 HG12 VAL 57 2HG1 VAL 57 1.582 -3.290 4.233
423 HG13 VAL 57 3HG1 VAL 57 1.513 -2.950 5.963
424 HG21 VAL 57 3HG2 VAL 57 4.971 -2.031 4.988
425 HG22 VAL 57 1HG2 VAL 57 3.500 -1.441 5.750
426 HG23 VAL 57 2HG2 VAL 57 3.523 -1.772 4.022
427 H LYS 58 H LYS 58 5.632 -2.216 7.390
428 HA LYS 58 HA LYS 58 8.003 -3.196 6.138
429 HB2 LYS 58 2HB LYS 58 7.683 -0.864 7.001
430 HB3 LYS 58 3HB LYS 58 7.798 -1.498 8.642
431 HG2 LYS 58 2HG LYS 58 10.067 -2.320 8.193
432 HG3 LYS 58 3HG LYS 58 9.954 -1.761 6.525
433 HD2 LYS 58 2HD LYS 58 9.669 0.560 7.325
434 HD3 LYS 58 3HD LYS 58 9.797 -0.002 8.993
435 HE2 LYS 58 2HE LYS 58 11.965 0.855 8.245
436 HE3 LYS 58 3HE LYS 58 12.070 -0.888 8.490
437 HZ1 LYS 58 3HZ LYS 58 12.434 0.620 6.110
438 HZ2 LYS 58 1HZ LYS 58 11.241 -0.567 5.895
439 HZ3 LYS 58 2HZ LYS 58 12.794 -1.011 6.418
440 H LYS 59 H LYS 59 6.515 -3.887 9.250
441 HA LYS 59 HA LYS 59 8.758 -5.211 10.439
442 HB2 LYS 59 2HB LYS 59 6.588 -4.469 11.595
443 HB3 LYS 59 3HB LYS 59 5.835 -5.894 10.895
444 HG2 LYS 59 2HG LYS 59 6.491 -6.716 12.995
445 HG3 LYS 59 3HG LYS 59 7.865 -7.193 12.004
446 HD2 LYS 59 2HD LYS 59 9.122 -5.208 12.760
447 HD3 LYS 59 3HD LYS 59 7.724 -4.663 13.684
448 HE2 LYS 59 2HE LYS 59 9.235 -5.779 15.207
449 HE3 LYS 59 3HE LYS 59 7.826 -6.814 14.984
450 HZ1 LYS 59 3HZ LYS 59 9.068 -8.057 13.310
451 HZ2 LYS 59 1HZ LYS 59 9.856 -8.090 14.812
452 HZ3 LYS 59 2HZ LYS 59 10.427 -7.073 13.575
453 H LEU 60 H LEU 60 6.258 -6.253 8.194
454 HA LEU 60 HA LEU 60 6.887 -9.088 8.346
455 HB2 LEU 60 2HB LEU 60 5.533 -7.566 6.099
456 HB3 LEU 60 3HB LEU 60 5.429 -9.297 6.415
457 HG LEU 60 HG LEU 60 4.443 -7.114 8.285
458 HD11 LEU 60 1HD1 LEU 60 2.192 -8.018 7.666
459 HD12 LEU 60 2HD1 LEU 60 2.974 -9.025 6.448
460 HD13 LEU 60 3HD1 LEU 60 3.035 -7.267 6.311
461 HD21 LEU 60 3HD2 LEU 60 4.982 -8.945 9.692
462 HD22 LEU 60 1HD2 LEU 60 4.515 -10.139 8.481
463 HD23 LEU 60 2HD2 LEU 60 3.283 -9.215 9.340
464 H ASP 61 H ASP 61 8.250 -10.291 7.019
465 HA ASP 61 HA ASP 61 10.359 -8.766 5.607
466 HB2 ASP 61 2HB ASP 61 11.480 -10.982 5.479
467 HB3 ASP 61 3HB ASP 61 11.035 -10.550 7.132
468 H PHE 62 H PHE 62 7.783 -11.105 4.811
469 HA PHE 62 HA PHE 62 8.715 -11.502 2.093
470 HB2 PHE 62 2HB PHE 62 6.670 -12.724 1.747
471 HB3 PHE 62 3HB PHE 62 7.250 -13.103 3.366
472 HD1 PHE 62 HD2 PHE 62 6.178 -12.066 5.371
473 HD2 PHE 62 HD1 PHE 62 4.590 -11.526 1.415
474 HE1 PHE 62 HE2 PHE 62 4.028 -11.290 6.336
475 HE2 PHE 62 HE1 PHE 62 2.444 -10.753 2.381
476 HZ PHE 62 HZ PHE 62 2.162 -10.635 4.841
477 H LEU 63 H LEU 63 7.999 -8.681 3.236
478 HA LEU 63 HA LEU 63 6.552 -7.744 0.777
479 HB2 LEU 63 2HB LEU 63 5.985 -7.106 3.678
480 HB3 LEU 63 3HB LEU 63 5.542 -5.957 2.418
481 HG LEU 63 HG LEU 63 4.678 -8.848 2.119
482 HD11 LEU 63 1HD1 LEU 63 3.300 -6.774 3.848
483 HD12 LEU 63 2HD1 LEU 63 3.969 -8.318 4.379
484 HD13 LEU 63 3HD1 LEU 63 2.561 -8.286 3.315
485 HD21 LEU 63 3HD2 LEU 63 3.351 -6.213 1.391
486 HD22 LEU 63 1HD2 LEU 63 2.798 -7.818 0.926
487 HD23 LEU 63 2HD2 LEU 63 4.308 -7.185 0.277
488 H THR 64 H THR 64 7.703 -6.218 -0.252
489 HA THR 64 HA THR 64 10.048 -4.971 1.110
490 HB THR 64 HB THR 64 9.191 -4.875 -1.803
491 HG1 THR 64 HG1 THR 64 11.334 -6.371 -0.794
492 HG21 THR 64 3HG2 THR 64 10.682 -3.032 -1.161
493 HG22 THR 64 1HG2 THR 64 11.558 -4.197 -2.151
494 HG23 THR 64 2HG2 THR 64 11.789 -4.176 -0.405
495 H VAL 65 H VAL 65 10.065 -2.810 1.636
496 HA VAL 65 HA VAL 65 7.709 -1.115 0.810
497 HB VAL 65 HB VAL 65 9.385 -0.959 3.336
498 HG11 VAL 65 1HG1 VAL 65 8.559 1.233 2.741
499 HG12 VAL 65 2HG1 VAL 65 7.526 0.620 4.027
500 HG13 VAL 65 3HG1 VAL 65 6.964 0.586 2.356
501 HG21 VAL 65 3HG2 VAL 65 6.570 -1.977 2.835
502 HG22 VAL 65 1HG2 VAL 65 7.268 -1.710 4.430
503 HG23 VAL 65 2HG2 VAL 65 7.954 -2.935 3.363
504 H GLN 66 H GLN 66 8.197 0.708 -0.275
505 HA GLN 66 HA GLN 66 10.924 1.916 -0.061
506 HB2 GLN 66 2HB GLN 66 9.519 1.157 -2.643
507 HB3 GLN 66 3HB GLN 66 10.927 2.216 -2.559
508 HG2 GLN 66 2HG GLN 66 12.224 0.413 -1.491
509 HG3 GLN 66 3HG GLN 66 10.820 -0.649 -1.577
510 HE21 GLN 66 1HE2 GLN 66 12.736 -1.820 -2.909
511 HE22 GLN 66 2HE2 GLN 66 12.691 -1.546 -4.583
512 H GLU 67 H GLU 67 10.843 4.123 -0.070
513 HA GLU 67 HA GLU 67 8.155 5.412 -0.196
514 HB2 GLU 67 2HB GLU 67 10.875 6.389 0.740
515 HB3 GLU 67 3HB GLU 67 9.417 7.378 0.739
516 HG2 GLU 67 2HG GLU 67 9.635 6.470 2.950
517 HG3 GLU 67 3HG GLU 67 8.315 5.599 2.175
518 H SER 68 H SER 68 7.590 6.775 -1.847
519 HA SER 68 HA SER 68 9.642 7.433 -3.961
520 HB2 SER 68 2HB SER 68 6.666 6.878 -4.169
521 HB3 SER 68 3HB SER 68 7.646 7.478 -5.503
522 HG SER 68 HG SER 68 7.637 4.986 -4.226
523 H ARG 69 H ARG 69 9.966 9.632 -4.295
524 HA ARG 69 HA ARG 69 8.447 11.528 -2.673
525 HB2 ARG 69 2HB ARG 69 9.804 13.279 -3.816
526 HB3 ARG 69 3HB ARG 69 10.764 12.029 -3.034
527 HG2 ARG 69 2HG ARG 69 10.637 10.924 -5.511
528 HG3 ARG 69 3HG ARG 69 10.418 12.613 -5.974
529 HD2 ARG 69 2HD ARG 69 12.799 12.106 -5.997
530 HD3 ARG 69 3HD ARG 69 12.471 13.181 -4.641
531 HE ARG 69 HE ARG 69 12.509 11.203 -3.132
532 HH11 ARG 69 1HH2 ARG 69 14.118 10.946 -6.182
533 HH12 ARG 69 2HH2 ARG 69 14.712 9.358 -5.857
534 HH21 ARG 69 1HH1 ARG 69 13.266 9.143 -2.724
535 HH22 ARG 69 2HH1 ARG 69 14.230 8.336 -3.915
536 H ASN 70 H ASN 70 6.859 12.882 -3.276
537 HA ASN 70 HA ASN 70 6.038 13.120 -6.112
538 HB2 ASN 70 2HB ASN 70 4.305 11.888 -3.939
539 HB3 ASN 70 3HB ASN 70 3.706 12.391 -5.521
540 HD21 ASN 70 1HD2 ASN 70 4.523 9.629 -3.975
541 HD22 ASN 70 2HD2 ASN 70 5.203 8.742 -5.253
542 H GLY 71 H GLY 71 6.484 15.339 -5.843
543 HA2 GLY 71 2HA GLY 71 5.974 17.559 -5.296
544 HA3 GLY 71 3HA GLY 71 4.360 16.979 -4.884
545 H SER 72 H SER 72 4.050 18.056 -2.956
546 HA SER 72 HA SER 72 6.122 18.121 -0.868
547 HB2 SER 72 2HB SER 72 4.502 19.451 0.371
548 HB3 SER 72 3HB SER 72 4.556 20.026 -1.294
549 HG SER 72 HG SER 72 2.439 19.353 -0.043
550 H LYS 73 H LYS 73 3.818 15.852 -1.835
551 HA LYS 73 HA LYS 73 3.697 14.634 0.923
552 HB2 LYS 73 2HB LYS 73 1.633 14.585 -1.300
553 HB3 LYS 73 3HB LYS 73 1.539 13.612 0.169
554 HG2 LYS 73 2HG LYS 73 1.561 15.661 1.537
555 HG3 LYS 73 3HG LYS 73 1.662 16.642 0.075
556 HD2 LYS 73 2HD LYS 73 -0.500 15.742 -0.688
557 HD3 LYS 73 3HD LYS 73 -0.603 14.746 0.766
558 HE2 LYS 73 2HE LYS 73 -0.574 16.779 2.165
559 HE3 LYS 73 3HE LYS 73 -0.472 17.779 0.716
560 HZ1 LYS 73 3HZ LYS 73 -2.705 16.024 1.559
561 HZ2 LYS 73 1HZ LYS 73 -2.586 16.668 -0.006
562 HZ3 LYS 73 2HZ LYS 73 -2.728 17.708 1.330
563 H LEU 74 H LEU 74 5.430 13.238 0.678
564 HA LEU 74 HA LEU 74 5.906 11.647 -1.689
565 HB2 LEU 74 2HB LEU 74 7.466 10.381 -0.288
566 HB3 LEU 74 3HB LEU 74 7.660 12.105 -0.016
567 HG LEU 74 HG LEU 74 5.763 11.470 1.933
568 HD11 LEU 74 1HD1 LEU 74 6.457 9.443 3.072
569 HD12 LEU 74 2HD1 LEU 74 7.734 9.161 1.892
570 HD13 LEU 74 3HD1 LEU 74 6.046 9.023 1.412
571 HD21 LEU 74 3HD2 LEU 74 7.654 11.553 3.553
572 HD22 LEU 74 1HD2 LEU 74 7.758 12.827 2.337
573 HD23 LEU 74 2HD2 LEU 74 8.788 11.401 2.209
574 H HIS 75 H HIS 75 5.008 9.691 -2.259
575 HA HIS 75 HA HIS 75 2.891 8.555 -0.457
576 HB2 HIS 75 2HB HIS 75 3.394 8.227 -3.431
577 HB3 HIS 75 3HB HIS 75 2.108 7.416 -2.537
578 HD1 HIS 75 HD1 HIS 75 0.682 9.351 -0.978
579 HD2 HIS 75 HD2 HIS 75 2.417 10.528 -4.576
580 HE1 HIS 75 HE1 HIS 75 -0.505 11.475 -1.685
581 H SER 76 H SER 76 3.246 6.651 0.501
582 HA SER 76 HA SER 76 5.752 5.238 0.187
583 HB2 SER 76 2HB SER 76 4.648 5.192 2.338
584 HB3 SER 76 3HB SER 76 3.176 4.547 1.624
585 HG SER 76 HG SER 76 5.678 3.230 1.456
586 H GLU 77 H GLU 77 6.005 3.053 -0.606
587 HA GLU 77 HA GLU 77 3.821 2.005 -2.374
588 HB2 GLU 77 2HB GLU 77 6.730 2.429 -3.131
589 HB3 GLU 77 3HB GLU 77 5.599 1.456 -4.070
590 HG2 GLU 77 2HG GLU 77 4.149 3.401 -4.377
591 HG3 GLU 77 3HG GLU 77 5.230 4.385 -3.393
592 H ILE 78 H ILE 78 3.781 -0.228 -2.488
593 HA ILE 78 HA ILE 78 5.823 -1.776 -0.921
594 HB ILE 78 HB ILE 78 3.953 -3.156 -0.026
595 HG12 ILE 78 2HG1 ILE 78 2.161 -0.962 -1.135
596 HG13 ILE 78 3HG1 ILE 78 2.306 -2.562 -1.855
597 HG21 ILE 78 1HG2 ILE 78 3.640 -0.204 0.592
598 HG22 ILE 78 2HG2 ILE 78 4.923 -1.226 1.241
599 HG23 ILE 78 3HG2 ILE 78 3.242 -1.551 1.656
600 HD11 ILE 78 3HD1 ILE 78 1.622 -3.546 0.359
601 HD12 ILE 78 1HD1 ILE 78 0.370 -2.572 -0.412
602 HD13 ILE 78 2HD1 ILE 78 1.306 -1.907 0.926
603 H ARG 79 H ARG 79 5.960 -4.016 -1.576
604 HA ARG 79 HA ARG 79 4.631 -4.772 -4.137
605 HB2 ARG 79 2HB ARG 79 6.889 -3.675 -4.624
606 HB3 ARG 79 3HB ARG 79 7.642 -5.009 -3.755
607 HG2 ARG 79 2HG ARG 79 6.479 -6.597 -5.322
608 HG3 ARG 79 3HG ARG 79 5.904 -5.206 -6.238
609 HD2 ARG 79 2HD ARG 79 8.358 -4.503 -6.453
610 HD3 ARG 79 3HD ARG 79 8.765 -6.105 -5.846
611 HE ARG 79 HE ARG 79 6.913 -6.145 -8.109
612 HH11 ARG 79 1HH2 ARG 79 10.201 -6.164 -7.029
613 HH12 ARG 79 2HH2 ARG 79 10.817 -6.773 -8.527
614 HH21 ARG 79 1HH1 ARG 79 7.713 -6.937 -10.062
615 HH22 ARG 79 2HH1 ARG 79 9.414 -7.210 -10.242
616 H LEU 80 H LEU 80 4.463 -7.057 -4.336
617 HA LEU 80 HA LEU 80 4.755 -8.503 -1.782
618 HB2 LEU 80 2HB LEU 80 2.837 -8.670 -3.621
619 HB3 LEU 80 3HB LEU 80 3.930 -9.811 -4.386
620 HG LEU 80 HG LEU 80 2.394 -11.040 -2.960
621 HD11 LEU 80 1HD1 LEU 80 4.883 -11.668 -3.061
622 HD12 LEU 80 2HD1 LEU 80 3.951 -12.342 -1.725
623 HD13 LEU 80 3HD1 LEU 80 5.009 -10.963 -1.448
624 HD21 LEU 80 3HD2 LEU 80 1.770 -10.438 -0.829
625 HD22 LEU 80 1HD2 LEU 80 2.276 -8.838 -1.328
626 HD23 LEU 80 2HD2 LEU 80 3.361 -9.850 -0.383
627 H ARG 81 H ARG 81 6.659 -9.474 -1.280
628 HA ARG 81 HA ARG 81 8.869 -9.613 -3.034
629 HB2 ARG 81 2HB ARG 81 9.055 -9.796 -0.561
630 HB3 ARG 81 3HB ARG 81 8.332 -11.406 -0.643
631 HG2 ARG 81 2HG ARG 81 10.180 -12.223 -1.995
632 HG3 ARG 81 3HG ARG 81 10.864 -10.599 -2.096
633 HD2 ARG 81 2HD ARG 81 11.212 -10.591 0.338
634 HD3 ARG 81 3HD ARG 81 10.531 -12.218 0.451
635 HE ARG 81 HE ARG 81 13.172 -11.498 -0.672
636 HH11 ARG 81 1HH2 ARG 81 10.732 -13.896 -0.117
637 HH12 ARG 81 2HH2 ARG 81 11.726 -15.204 -0.657
638 HH21 ARG 81 1HH1 ARG 81 14.453 -13.198 -1.384
639 HH22 ARG 81 2HH1 ARG 81 13.823 -14.810 -1.380
640 H HIS 82 H HIS 82 9.328 -10.938 -4.689
641 HA HIS 82 HA HIS 82 8.678 -13.740 -4.749
642 HB2 HIS 82 2HB HIS 82 6.408 -12.764 -5.194
643 HB3 HIS 82 3HB HIS 82 7.072 -11.967 -6.618
644 HD1 HIS 82 HD1 HIS 82 7.149 -15.534 -5.231
645 HD2 HIS 82 HD2 HIS 82 6.640 -13.519 -8.845
646 HE1 HIS 82 HE1 HIS 82 6.760 -17.310 -6.992
647 H ASP 83 H ASP 83 8.970 -14.459 -7.258
648 HA ASP 83 HA ASP 83 10.549 -14.685 -8.969
649 HB2 ASP 83 2HB ASP 83 10.322 -11.660 -8.837
650 HB3 ASP 83 3HB ASP 83 11.173 -12.526 -10.112
651 H GLY 84 H GLY 84 11.531 -14.625 -6.206
652 HA2 GLY 84 2HA GLY 84 14.060 -13.133 -6.231
653 HA3 GLY 84 3HA GLY 84 13.526 -14.257 -4.983
654 H LEU 85 H LEU 85 13.194 -15.663 -8.039
655 HA LEU 85 HA LEU 85 14.327 -17.472 -9.026
656 HB2 LEU 85 2HB LEU 85 16.571 -15.566 -8.312
657 HB3 LEU 85 3HB LEU 85 16.926 -17.114 -9.067
658 HG LEU 85 HG LEU 85 15.462 -16.538 -10.961
659 HD11 LEU 85 1HD1 LEU 85 15.031 -13.989 -9.375
660 HD12 LEU 85 2HD1 LEU 85 13.809 -15.115 -9.965
661 HD13 LEU 85 3HD1 LEU 85 14.692 -14.101 -11.102
662 HD21 LEU 85 3HD2 LEU 85 16.874 -14.700 -11.882
663 HD22 LEU 85 1HD2 LEU 85 17.841 -15.935 -11.076
664 HD23 LEU 85 2HD2 LEU 85 17.509 -14.405 -10.263
665 H GLU 86 H GLU 86 16.267 -19.116 -8.489
666 HA GLU 86 HA GLU 86 16.838 -19.484 -5.662
667 HB2 GLU 86 2HB GLU 86 14.358 -20.222 -6.035
668 HB3 GLU 86 3HB GLU 86 15.038 -21.604 -6.886
669 HG2 GLU 86 2HG GLU 86 15.756 -20.834 -4.039
670 HG3 GLU 86 3HG GLU 86 14.570 -22.059 -4.471
671 H HIS 87 H HIS 87 18.856 -20.273 -5.780
672 HA HIS 87 HA HIS 87 20.727 -21.461 -6.516
673 HB2 HIS 87 2HB HIS 87 19.152 -23.337 -5.851
674 HB3 HIS 87 3HB HIS 87 18.706 -23.473 -7.549
675 HD1 HIS 87 HD1 HIS 87 20.651 -24.155 -9.228
676 HD2 HIS 87 HD2 HIS 87 21.608 -24.505 -5.189
677 HE1 HIS 87 HE1 HIS 87 22.748 -25.568 -9.110
678 H HIS 88 H HIS 88 21.821 -22.349 -8.528
679 HA HIS 88 HA HIS 88 21.129 -20.650 -10.832
680 HB2 HIS 88 2HB HIS 88 23.499 -21.044 -10.098
681 HB3 HIS 88 3HB HIS 88 23.321 -22.735 -10.566
682 HD1 HIS 88 HD1 HIS 88 22.771 -23.167 -13.167
683 HD2 HIS 88 HD2 HIS 88 24.056 -19.317 -12.218
684 HE1 HIS 88 HE1 HIS 88 23.457 -22.082 -15.351
685 H HIS 89 H HIS 89 20.932 -21.632 -13.035
686 HA HIS 89 HA HIS 89 20.167 -24.481 -13.180
687 HB2 HIS 89 2HB HIS 89 17.924 -23.962 -14.124
688 HB3 HIS 89 3HB HIS 89 18.068 -23.464 -12.439
689 HD1 HIS 89 HD1 HIS 89 18.202 -20.911 -11.945
690 HD2 HIS 89 HD2 HIS 89 17.695 -21.826 -15.982
691 HE1 HIS 89 HE1 HIS 89 17.579 -18.744 -13.099
692 H HIS 90 H HIS 90 19.911 -25.184 -15.407
693 HA HIS 90 HA HIS 90 21.659 -23.708 -17.240
694 HB2 HIS 90 2HB HIS 90 20.071 -26.276 -17.564
695 HB3 HIS 90 3HB HIS 90 21.194 -25.640 -18.766
696 HD1 HIS 90 HD1 HIS 90 21.105 -27.046 -15.258
697 HD2 HIS 90 HD2 HIS 90 23.916 -26.042 -18.168
698 HE1 HIS 90 HE1 HIS 90 23.334 -27.926 -14.436
699 H HIS 91 H HIS 91 21.019 -22.938 -19.327
700 HA HIS 91 HA HIS 91 19.621 -21.679 -20.724
701 HB2 HIS 91 2HB HIS 91 17.668 -23.864 -19.943
702 HB3 HIS 91 3HB HIS 91 17.490 -22.777 -21.319
703 HD1 HIS 91 HD1 HIS 91 19.763 -22.819 -22.967
704 HD2 HIS 91 HD2 HIS 91 18.972 -26.190 -20.644
705 HE1 HIS 91 HE1 HIS 91 21.069 -24.728 -24.004
706 H HIS 92 H HIS 92 19.394 -19.754 -19.549
707 HA HIS 92 HA HIS 92 17.619 -19.454 -17.304
708 HB2 HIS 92 2HB HIS 92 17.931 -17.023 -17.677
709 HB3 HIS 92 3HB HIS 92 19.469 -17.888 -17.710
710 HD1 HIS 92 HD1 HIS 92 20.363 -18.513 -20.206
711 HD2 HIS 92 HD2 HIS 92 17.410 -15.578 -19.991
712 HE1 HIS 92 HE1 HIS 92 20.405 -17.288 -22.424
Start of MODEL 9
1 H1 MET 1 1H MET 1 -11.878 -17.865 -10.626
2 H2 MET 1 2H MET 1 -10.902 -18.841 -11.618
3 H3 MET 1 3H MET 1 -11.741 -17.522 -12.281
4 HA MET 1 HA MET 1 -9.253 -17.598 -10.799
5 HB2 MET 1 2HB MET 1 -10.185 -16.678 -13.308
6 HB3 MET 1 3HB MET 1 -9.872 -15.197 -12.416
7 HG2 MET 1 2HG MET 1 -7.572 -16.056 -11.898
8 HG3 MET 1 3HG MET 1 -7.908 -17.462 -12.908
9 HE1 MET 1 3HE MET 1 -5.634 -16.639 -13.754
10 HE2 MET 1 1HE MET 1 -5.537 -14.942 -13.261
11 HE3 MET 1 2HE MET 1 -5.393 -15.380 -14.962
12 HA PRO 2 HA PRO 2 -11.429 -13.559 -9.077
13 HB2 PRO 2 2HB PRO 2 -14.290 -14.473 -9.099
14 HB3 PRO 2 3HB PRO 2 -13.622 -12.878 -9.508
15 HG2 PRO 2 2HG PRO 2 -14.505 -14.498 -11.427
16 HG3 PRO 2 3HG PRO 2 -13.026 -13.543 -11.665
17 HD2 PRO 2 2HD PRO 2 -13.269 -16.465 -10.937
18 HD3 PRO 2 3HD PRO 2 -12.205 -15.700 -12.134
19 H HIS 3 H HIS 3 -11.630 -13.334 -6.821
20 HA HIS 3 HA HIS 3 -12.865 -15.435 -5.183
21 HB2 HIS 3 2HB HIS 3 -10.813 -15.966 -3.931
22 HB3 HIS 3 3HB HIS 3 -10.632 -16.403 -5.628
23 HD1 HIS 3 HD1 HIS 3 -9.094 -14.860 -7.101
24 HD2 HIS 3 HD2 HIS 3 -9.116 -13.888 -3.047
25 HE1 HIS 3 HE1 HIS 3 -7.132 -13.303 -6.727
26 H LYS 4 H LYS 4 -13.840 -14.340 -3.547
27 HA LYS 4 HA LYS 4 -13.007 -11.558 -2.951
28 HB2 LYS 4 2HB LYS 4 -15.424 -12.250 -3.252
29 HB3 LYS 4 3HB LYS 4 -15.287 -13.170 -1.755
30 HG2 LYS 4 2HG LYS 4 -14.759 -11.138 -0.510
31 HG3 LYS 4 3HG LYS 4 -14.753 -10.193 -1.998
32 HD2 LYS 4 2HD LYS 4 -17.135 -10.740 -2.347
33 HD3 LYS 4 3HD LYS 4 -17.137 -11.676 -0.853
34 HE2 LYS 4 2HE LYS 4 -18.035 -9.436 -0.428
35 HE3 LYS 4 3HE LYS 4 -16.491 -9.628 0.402
36 HZ1 LYS 4 3HZ LYS 4 -15.415 -8.276 -1.088
37 HZ2 LYS 4 1HZ LYS 4 -16.933 -7.524 -1.008
38 HZ3 LYS 4 2HZ LYS 4 -16.553 -8.529 -2.324
39 H GLU 5 H GLU 5 -12.352 -14.680 -1.776
40 HA GLU 5 HA GLU 5 -12.179 -14.204 1.039
41 HB2 GLU 5 2HB GLU 5 -10.579 -16.051 -0.760
42 HB3 GLU 5 3HB GLU 5 -10.510 -16.088 1.002
43 HG2 GLU 5 2HG GLU 5 -12.901 -16.581 1.123
44 HG3 GLU 5 3HG GLU 5 -13.040 -16.449 -0.629
45 H LYS 6 H LYS 6 -10.854 -12.829 2.094
46 HA LYS 6 HA LYS 6 -8.161 -12.155 0.943
47 HB2 LYS 6 2HB LYS 6 -10.272 -10.232 1.991
48 HB3 LYS 6 3HB LYS 6 -8.583 -9.786 1.747
49 HG2 LYS 6 2HG LYS 6 -8.736 -10.306 -0.626
50 HG3 LYS 6 3HG LYS 6 -10.371 -10.923 -0.421
51 HD2 LYS 6 2HD LYS 6 -10.537 -8.685 -1.317
52 HD3 LYS 6 3HD LYS 6 -11.076 -8.636 0.359
53 HE2 LYS 6 2HE LYS 6 -9.068 -7.579 1.084
54 HE3 LYS 6 3HE LYS 6 -8.206 -8.001 -0.397
55 HZ1 LYS 6 3HZ LYS 6 -8.746 -5.902 -0.938
56 HZ2 LYS 6 1HZ LYS 6 -10.068 -5.835 0.120
57 HZ3 LYS 6 2HZ LYS 6 -10.229 -6.597 -1.390
58 H HIS 7 H HIS 7 -9.148 -13.944 3.151
59 HA HIS 7 HA HIS 7 -8.528 -12.666 5.657
60 HB2 HIS 7 2HB HIS 7 -9.552 -15.180 4.838
61 HB3 HIS 7 3HB HIS 7 -8.058 -15.583 5.671
62 HD1 HIS 7 HD1 HIS 7 -7.850 -14.487 8.178
63 HD2 HIS 7 HD2 HIS 7 -11.677 -14.623 6.527
64 HE1 HIS 7 HE1 HIS 7 -9.472 -14.179 10.099
65 HA PRO 8 HA PRO 8 -4.171 -14.797 4.953
66 HB2 PRO 8 2HB PRO 8 -3.968 -14.550 1.968
67 HB3 PRO 8 3HB PRO 8 -3.466 -15.896 3.016
68 HG2 PRO 8 2HG PRO 8 -5.646 -16.105 1.487
69 HG3 PRO 8 3HG PRO 8 -5.622 -16.777 3.129
70 HD2 PRO 8 2HD PRO 8 -6.868 -14.195 2.179
71 HD3 PRO 8 3HD PRO 8 -7.533 -15.411 3.293
72 H LEU 9 H LEU 9 -2.439 -13.394 5.242
73 HA LEU 9 HA LEU 9 -2.807 -10.588 4.778
74 HB2 LEU 9 2HB LEU 9 -0.448 -12.283 5.605
75 HB3 LEU 9 3HB LEU 9 -0.250 -10.556 5.345
76 HG LEU 9 HG LEU 9 -0.688 -11.194 7.743
77 HD11 LEU 9 1HD1 LEU 9 -1.973 -9.314 8.224
78 HD12 LEU 9 2HD1 LEU 9 -3.053 -9.542 6.857
79 HD13 LEU 9 3HD1 LEU 9 -1.423 -8.932 6.601
80 HD21 LEU 9 3HD2 LEU 9 -2.305 -13.058 7.110
81 HD22 LEU 9 1HD2 LEU 9 -3.511 -11.800 6.834
82 HD23 LEU 9 2HD2 LEU 9 -2.821 -12.022 8.439
83 H GLN 10 H GLN 10 -0.914 -13.073 3.083
84 HA GLN 10 HA GLN 10 0.313 -11.290 1.201
85 HB2 GLN 10 2HB GLN 10 1.068 -13.632 1.626
86 HB3 GLN 10 3HB GLN 10 -0.383 -14.220 0.815
87 HG2 GLN 10 2HG GLN 10 0.284 -13.143 -1.265
88 HG3 GLN 10 3HG GLN 10 1.665 -12.395 -0.465
89 HE21 GLN 10 1HE2 GLN 10 2.033 -14.113 -2.712
90 HE22 GLN 10 2HE2 GLN 10 2.810 -15.529 -2.189
91 H ASP 11 H ASP 11 -2.668 -13.253 0.993
92 HA ASP 11 HA ASP 11 -3.324 -12.453 -1.676
93 HB2 ASP 11 2HB ASP 11 -4.348 -14.389 -0.394
94 HB3 ASP 11 3HB ASP 11 -5.300 -13.207 0.501
95 H MET 12 H MET 12 -4.012 -11.026 1.483
96 HA MET 12 HA MET 12 -5.931 -9.102 0.633
97 HB2 MET 12 2HB MET 12 -5.385 -9.685 3.012
98 HB3 MET 12 3HB MET 12 -3.872 -8.798 2.837
99 HG2 MET 12 2HG MET 12 -5.094 -6.737 2.352
100 HG3 MET 12 3HG MET 12 -6.629 -7.606 2.417
101 HE1 MET 12 3HE MET 12 -6.500 -5.170 3.946
102 HE2 MET 12 1HE MET 12 -6.922 -5.545 5.621
103 HE3 MET 12 2HE MET 12 -7.820 -6.281 4.297
104 H PHE 13 H PHE 13 -2.440 -8.535 1.296
105 HA PHE 13 HA PHE 13 -2.447 -5.972 -0.010
106 HB2 PHE 13 2HB PHE 13 -0.169 -7.852 0.683
107 HB3 PHE 13 3HB PHE 13 0.067 -6.230 0.037
108 HD1 PHE 13 HD1 PHE 13 -1.215 -4.299 1.268
109 HD2 PHE 13 HD2 PHE 13 -0.320 -8.107 3.056
110 HE1 PHE 13 HE1 PHE 13 -1.466 -3.302 3.522
111 HE2 PHE 13 HE2 PHE 13 -0.571 -7.100 5.307
112 HZ PHE 13 HZ PHE 13 -1.144 -4.701 5.541
113 H THR 14 H THR 14 -1.569 -9.241 -1.170
114 HA THR 14 HA THR 14 -0.520 -8.401 -3.684
115 HB THR 14 HB THR 14 -1.970 -10.976 -2.990
116 HG1 THR 14 HG1 THR 14 0.486 -9.951 -2.409
117 HG21 THR 14 3HG2 THR 14 -0.556 -11.869 -4.894
118 HG22 THR 14 1HG2 THR 14 -0.186 -10.195 -5.312
119 HG23 THR 14 2HG2 THR 14 -1.850 -10.777 -5.387
120 H SER 15 H SER 15 -3.846 -9.342 -2.763
121 HA SER 15 HA SER 15 -4.989 -9.074 -5.348
122 HB2 SER 15 2HB SER 15 -6.257 -8.539 -2.645
123 HB3 SER 15 3HB SER 15 -7.139 -8.768 -4.153
124 HG SER 15 HG SER 15 -6.280 -10.853 -4.274
125 H ALA 16 H ALA 16 -4.589 -6.644 -2.762
126 HA ALA 16 HA ALA 16 -5.865 -4.524 -4.254
127 HB1 ALA 16 3HB ALA 16 -4.873 -3.044 -2.552
128 HB2 ALA 16 1HB ALA 16 -3.878 -4.381 -1.973
129 HB3 ALA 16 2HB ALA 16 -5.630 -4.448 -1.806
130 H ILE 17 H ILE 17 -2.427 -5.342 -3.689
131 HA ILE 17 HA ILE 17 -1.363 -3.163 -5.192
132 HB ILE 17 HB ILE 17 -0.246 -5.922 -4.596
133 HG12 ILE 17 2HG1 ILE 17 0.472 -3.231 -3.378
134 HG13 ILE 17 3HG1 ILE 17 -0.756 -4.288 -2.687
135 HG21 ILE 17 1HG2 ILE 17 0.980 -5.123 -6.511
136 HG22 ILE 17 2HG2 ILE 17 1.991 -4.809 -5.109
137 HG23 ILE 17 3HG2 ILE 17 1.078 -3.494 -5.846
138 HD11 ILE 17 3HD1 ILE 17 1.414 -4.652 -1.591
139 HD12 ILE 17 1HD1 ILE 17 2.149 -5.024 -3.149
140 HD13 ILE 17 2HD1 ILE 17 0.918 -6.094 -2.476
141 H GLU 18 H GLU 18 -2.147 -6.512 -6.191
142 HA GLU 18 HA GLU 18 -1.319 -6.119 -8.916
143 HB2 GLU 18 2HB GLU 18 -3.263 -8.093 -7.677
144 HB3 GLU 18 3HB GLU 18 -2.686 -8.181 -9.340
145 HG2 GLU 18 2HG GLU 18 -0.859 -8.183 -6.919
146 HG3 GLU 18 3HG GLU 18 -1.398 -9.645 -7.743
147 H ALA 19 H ALA 19 -4.317 -5.527 -7.173
148 HA ALA 19 HA ALA 19 -5.993 -5.136 -9.467
149 HB1 ALA 19 3HB ALA 19 -7.444 -3.849 -7.884
150 HB2 ALA 19 1HB ALA 19 -6.169 -3.976 -6.671
151 HB3 ALA 19 2HB ALA 19 -6.974 -5.431 -7.259
152 H VAL 20 H VAL 20 -3.596 -3.113 -7.916
153 HA VAL 20 HA VAL 20 -4.164 -0.949 -9.931
154 HB VAL 20 HB VAL 20 -3.813 0.770 -8.298
155 HG11 VAL 20 1HG1 VAL 20 -6.061 -0.288 -8.359
156 HG12 VAL 20 2HG1 VAL 20 -5.674 0.363 -6.767
157 HG13 VAL 20 3HG1 VAL 20 -5.566 -1.373 -7.058
158 HG21 VAL 20 3HG2 VAL 20 -2.996 -1.507 -6.462
159 HG22 VAL 20 1HG2 VAL 20 -3.427 0.086 -5.843
160 HG23 VAL 20 2HG2 VAL 20 -2.048 -0.099 -6.924
161 H ALA 21 H ALA 21 -2.072 -3.238 -9.553
162 HA ALA 21 HA ALA 21 0.450 -2.011 -9.042
163 HB1 ALA 21 3HB ALA 21 -0.328 -4.380 -10.765
164 HB2 ALA 21 1HB ALA 21 0.351 -4.413 -9.139
165 HB3 ALA 21 2HB ALA 21 1.351 -3.906 -10.498
166 H ARG 22 H ARG 22 -1.691 -1.890 -11.784
167 HA ARG 22 HA ARG 22 -1.517 -0.808 -13.860
168 HB2 ARG 22 2HB ARG 22 0.232 0.896 -12.065
169 HB3 ARG 22 3HB ARG 22 -0.094 1.338 -13.736
170 HG2 ARG 22 2HG ARG 22 -2.425 1.625 -13.335
171 HG3 ARG 22 3HG ARG 22 -2.356 0.753 -11.804
172 HD2 ARG 22 2HD ARG 22 -1.609 2.603 -10.630
173 HD3 ARG 22 3HD ARG 22 -0.608 3.182 -11.961
174 HE ARG 22 HE ARG 22 -3.043 3.759 -12.961
175 HH11 ARG 22 1HH2 ARG 22 -1.759 4.187 -9.758
176 HH12 ARG 22 2HH2 ARG 22 -2.759 5.554 -9.429
177 HH21 ARG 22 1HH1 ARG 22 -4.296 5.533 -12.518
178 HH22 ARG 22 2HH1 ARG 22 -4.187 6.325 -10.984
179 H ASP 23 H ASP 23 0.275 0.133 -15.460
180 HA ASP 23 HA ASP 23 2.015 -2.071 -16.099
181 HB2 ASP 23 2HB ASP 23 1.855 0.764 -17.173
182 HB3 ASP 23 3HB ASP 23 2.908 -0.477 -17.853
183 H SER 24 H SER 24 2.419 0.710 -14.066
184 HA SER 24 HA SER 24 5.319 0.871 -14.298
185 HB2 SER 24 2HB SER 24 3.441 1.862 -12.133
186 HB3 SER 24 3HB SER 24 5.151 2.269 -12.247
187 HG SER 24 HG SER 24 4.080 2.705 -14.617
188 H GLY 25 H GLY 25 3.284 -1.425 -12.970
189 HA2 GLY 25 2HA GLY 25 3.798 -3.353 -11.718
190 HA3 GLY 25 3HA GLY 25 5.481 -2.821 -11.675
191 H TRP 26 H TRP 26 5.433 -0.464 -10.369
192 HA TRP 26 HA TRP 26 5.089 -1.209 -7.633
193 HB2 TRP 26 2HB TRP 26 5.350 1.522 -8.932
194 HB3 TRP 26 3HB TRP 26 5.375 1.270 -7.187
195 HD1 TRP 26 HD1 TRP 26 7.463 0.835 -10.314
196 HE1 TRP 26 HE1 TRP 26 9.841 0.091 -9.652
197 HE3 TRP 26 HE3 TRP 26 6.755 -0.074 -5.340
198 HZ2 TRP 26 HZ2 TRP 26 11.255 -0.774 -7.320
199 HZ3 TRP 26 HZ3 TRP 26 8.630 -0.852 -3.921
200 HH2 TRP 26 HH2 TRP 26 10.874 -1.213 -4.909
201 H ALA 27 H ALA 27 3.691 0.410 -6.174
202 HA ALA 27 HA ALA 27 1.048 1.026 -7.346
203 HB1 ALA 27 3HB ALA 27 -0.095 -0.331 -5.540
204 HB2 ALA 27 1HB ALA 27 1.468 -1.069 -5.189
205 HB3 ALA 27 2HB ALA 27 0.717 -1.302 -6.765
206 H GLU 28 H GLU 28 0.242 2.817 -6.328
207 HA GLU 28 HA GLU 28 1.820 4.106 -4.257
208 HB2 GLU 28 2HB GLU 28 -0.937 4.772 -5.349
209 HB3 GLU 28 3HB GLU 28 0.029 5.829 -4.318
210 HG2 GLU 28 2HG GLU 28 0.926 4.791 -7.025
211 HG3 GLU 28 3HG GLU 28 0.226 6.388 -6.754
212 H LEU 29 H LEU 29 1.546 3.973 -2.071
213 HA LEU 29 HA LEU 29 -0.018 1.985 -0.860
214 HB2 LEU 29 2HB LEU 29 1.871 3.170 0.241
215 HB3 LEU 29 3HB LEU 29 0.873 4.609 0.377
216 HG LEU 29 HG LEU 29 -0.760 3.277 1.768
217 HD11 LEU 29 1HD1 LEU 29 1.336 1.135 1.340
218 HD12 LEU 29 2HD1 LEU 29 -0.419 1.009 1.224
219 HD13 LEU 29 3HD1 LEU 29 0.345 1.136 2.797
220 HD21 LEU 29 3HD2 LEU 29 0.566 3.377 3.792
221 HD22 LEU 29 1HD2 LEU 29 1.075 4.706 2.750
222 HD23 LEU 29 2HD2 LEU 29 2.063 3.249 2.874
223 H SER 30 H SER 30 -0.850 5.384 -1.502
224 HA SER 30 HA SER 30 -3.279 5.478 -0.041
225 HB2 SER 30 2HB SER 30 -2.461 7.528 -0.960
226 HB3 SER 30 3HB SER 30 -2.375 6.851 -2.584
227 HG SER 30 HG SER 30 -4.256 8.247 -1.973
228 H ALA 31 H ALA 31 -2.674 4.428 -3.406
229 HA ALA 31 HA ALA 31 -5.403 3.829 -4.020
230 HB1 ALA 31 3HB ALA 31 -4.421 2.335 -5.787
231 HB2 ALA 31 1HB ALA 31 -2.827 2.637 -5.093
232 HB3 ALA 31 2HB ALA 31 -3.749 3.965 -5.796
233 H VAL 32 H VAL 32 -2.803 1.851 -2.599
234 HA VAL 32 HA VAL 32 -4.248 -0.617 -2.513
235 HB VAL 32 HB VAL 32 -2.077 0.476 -0.690
236 HG11 VAL 32 1HG1 VAL 32 -1.684 -1.999 -0.210
237 HG12 VAL 32 2HG1 VAL 32 -3.250 -2.308 -0.951
238 HG13 VAL 32 3HG1 VAL 32 -3.143 -1.321 0.504
239 HG21 VAL 32 3HG2 VAL 32 -1.478 0.257 -3.096
240 HG22 VAL 32 1HG2 VAL 32 -1.940 -1.444 -3.038
241 HG23 VAL 32 2HG2 VAL 32 -0.574 -0.867 -2.083
242 H GLY 33 H GLY 33 -3.867 1.960 -0.080
243 HA2 GLY 33 2HA GLY 33 -5.513 0.745 1.897
244 HA3 GLY 33 3HA GLY 33 -5.178 2.476 1.799
245 H SER 34 H SER 34 -6.358 3.200 -0.575
246 HA SER 34 HA SER 34 -9.116 3.369 0.121
247 HB2 SER 34 2HB SER 34 -7.828 3.736 -2.598
248 HB3 SER 34 3HB SER 34 -9.433 4.298 -2.140
249 HG SER 34 HG SER 34 -6.986 5.035 -0.895
250 H TYR 35 H TYR 35 -7.425 1.259 -2.197
251 HA TYR 35 HA TYR 35 -9.737 -0.022 -3.256
252 HB2 TYR 35 2HB TYR 35 -7.482 -0.246 -4.244
253 HB3 TYR 35 3HB TYR 35 -6.956 -1.165 -2.835
254 HD1 TYR 35 HD2 TYR 35 -9.087 -1.200 -5.852
255 HD2 TYR 35 HD1 TYR 35 -7.706 -3.474 -2.479
256 HE1 TYR 35 HE2 TYR 35 -9.959 -3.274 -6.893
257 HE2 TYR 35 HE1 TYR 35 -8.575 -5.549 -3.523
258 HH TYR 35 HH TYR 35 -9.087 -6.119 -6.333
259 H LEU 36 H LEU 36 -7.650 -0.946 -0.509
260 HA LEU 36 HA LEU 36 -9.123 -3.291 0.200
261 HB2 LEU 36 2HB LEU 36 -7.417 -1.424 1.871
262 HB3 LEU 36 3HB LEU 36 -8.040 -2.961 2.463
263 HG LEU 36 HG LEU 36 -6.336 -2.728 -0.044
264 HD11 LEU 36 1HD1 LEU 36 -5.037 -1.908 1.868
265 HD12 LEU 36 2HD1 LEU 36 -4.443 -3.495 1.374
266 HD13 LEU 36 3HD1 LEU 36 -5.470 -3.342 2.799
267 HD21 LEU 36 3HD2 LEU 36 -7.420 -4.841 -0.090
268 HD22 LEU 36 1HD2 LEU 36 -7.321 -5.046 1.655
269 HD23 LEU 36 2HD2 LEU 36 -5.882 -5.212 0.658
270 H ALA 37 H ALA 37 -9.443 0.105 1.207
271 HA ALA 37 HA ALA 37 -11.412 -0.268 3.212
272 HB1 ALA 37 3HB ALA 37 -10.237 1.898 2.659
273 HB2 ALA 37 1HB ALA 37 -11.976 2.063 2.887
274 HB3 ALA 37 2HB ALA 37 -11.295 2.053 1.260
275 H LYS 38 H LYS 38 -11.833 0.308 -0.295
276 HA LYS 38 HA LYS 38 -14.681 0.164 -0.282
277 HB2 LYS 38 2HB LYS 38 -12.718 -0.608 -2.469
278 HB3 LYS 38 3HB LYS 38 -14.440 -0.343 -2.716
279 HG2 LYS 38 2HG LYS 38 -12.666 1.813 -1.526
280 HG3 LYS 38 3HG LYS 38 -12.834 1.625 -3.269
281 HD2 LYS 38 2HD LYS 38 -15.307 1.880 -3.028
282 HD3 LYS 38 3HD LYS 38 -15.088 2.178 -1.308
283 HE2 LYS 38 2HE LYS 38 -15.244 4.311 -2.465
284 HE3 LYS 38 3HE LYS 38 -13.605 4.099 -1.854
285 HZ1 LYS 38 3HZ LYS 38 -14.091 3.065 -4.516
286 HZ2 LYS 38 1HZ LYS 38 -12.766 3.936 -3.913
287 HZ3 LYS 38 2HZ LYS 38 -14.182 4.756 -4.368
288 H ASN 39 H ASN 39 -12.201 -2.352 -0.664
289 HA ASN 39 HA ASN 39 -14.196 -4.481 -0.986
290 HB2 ASN 39 2HB ASN 39 -11.203 -4.533 -0.502
291 HB3 ASN 39 3HB ASN 39 -12.184 -5.970 -0.793
292 HD21 ASN 39 1HD2 ASN 39 -10.478 -3.406 -2.334
293 HD22 ASN 39 2HD2 ASN 39 -11.011 -3.704 -3.917
294 H ASP 40 H ASP 40 -12.962 -2.722 1.633
295 HA ASP 40 HA ASP 40 -14.345 -4.423 3.549
296 HB2 ASP 40 2HB ASP 40 -12.151 -5.625 3.246
297 HB3 ASP 40 3HB ASP 40 -11.333 -4.176 3.834
298 HA PRO 41 HA PRO 41 -13.922 0.196 4.386
299 HB2 PRO 41 2HB PRO 41 -16.801 -0.322 5.116
300 HB3 PRO 41 3HB PRO 41 -16.105 1.045 4.215
301 HG2 PRO 41 2HG PRO 41 -17.434 -0.839 2.920
302 HG3 PRO 41 3HG PRO 41 -15.924 -0.201 2.238
303 HD2 PRO 41 2HD PRO 41 -16.361 -2.798 3.723
304 HD3 PRO 41 3HD PRO 41 -15.405 -2.500 2.252
305 H SER 42 H SER 42 -15.276 -2.498 6.186
306 HA SER 42 HA SER 42 -15.471 -1.350 8.761
307 HB2 SER 42 2HB SER 42 -16.300 -3.613 8.172
308 HB3 SER 42 3HB SER 42 -14.636 -4.178 8.043
309 HG SER 42 HG SER 42 -14.671 -4.419 10.119
310 H PHE 43 H PHE 43 -12.682 -1.877 6.876
311 HA PHE 43 HA PHE 43 -10.844 -2.027 9.223
312 HB2 PHE 43 2HB PHE 43 -10.422 -3.392 7.152
313 HB3 PHE 43 3HB PHE 43 -10.186 -1.893 6.260
314 HD1 PHE 43 HD2 PHE 43 -9.012 -3.700 9.322
315 HD2 PHE 43 HD1 PHE 43 -8.009 -0.919 6.213
316 HE1 PHE 43 HE2 PHE 43 -6.669 -3.643 10.126
317 HE2 PHE 43 HE1 PHE 43 -5.664 -0.862 7.014
318 HZ PHE 43 HZ PHE 43 -4.995 -2.225 8.975
319 H ASP 44 H ASP 44 -11.278 -0.003 6.332
320 HA ASP 44 HA ASP 44 -10.830 2.294 5.962
321 HB2 ASP 44 2HB ASP 44 -12.615 2.461 7.728
322 HB3 ASP 44 3HB ASP 44 -11.341 2.531 8.946
323 HA PRO 45 HA PRO 45 -6.440 1.577 7.397
324 HB2 PRO 45 2HB PRO 45 -5.974 3.218 4.917
325 HB3 PRO 45 3HB PRO 45 -5.173 1.722 5.439
326 HG2 PRO 45 2HG PRO 45 -6.991 1.716 3.471
327 HG3 PRO 45 3HG PRO 45 -6.874 0.376 4.619
328 HD2 PRO 45 2HD PRO 45 -8.908 2.587 4.501
329 HD3 PRO 45 3HD PRO 45 -9.127 0.888 4.983
330 H ARG 46 H ARG 46 -7.609 4.622 5.962
331 HA ARG 46 HA ARG 46 -5.799 6.406 7.179
332 HB2 ARG 46 2HB ARG 46 -8.737 6.763 6.465
333 HB3 ARG 46 3HB ARG 46 -7.666 8.098 6.900
334 HG2 ARG 46 2HG ARG 46 -6.221 7.657 5.034
335 HG3 ARG 46 3HG ARG 46 -7.007 6.132 4.686
336 HD2 ARG 46 2HD ARG 46 -7.751 7.762 3.061
337 HD3 ARG 46 3HD ARG 46 -9.093 7.342 4.106
338 HE ARG 46 HE ARG 46 -9.220 9.601 4.680
339 HH11 ARG 46 1HH2 ARG 46 -5.940 8.845 3.841
340 HH12 ARG 46 2HH2 ARG 46 -5.475 10.500 3.694
341 HH21 ARG 46 1HH1 ARG 46 -8.616 11.751 4.407
342 HH22 ARG 46 2HH1 ARG 46 -6.979 12.136 3.992
343 H ASN 47 H ASN 47 -9.012 5.452 8.418
344 HA ASN 47 HA ASN 47 -8.660 6.749 10.954
345 HB2 ASN 47 2HB ASN 47 -10.875 6.099 10.084
346 HB3 ASN 47 3HB ASN 47 -10.430 4.399 10.214
347 HD21 ASN 47 1HD2 ASN 47 -11.532 3.570 11.993
348 HD22 ASN 47 2HD2 ASN 47 -11.634 4.322 13.511
349 H TRP 48 H TRP 48 -7.876 3.507 9.759
350 HA TRP 48 HA TRP 48 -7.148 2.503 12.410
351 HB2 TRP 48 2HB TRP 48 -7.974 1.159 10.329
352 HB3 TRP 48 3HB TRP 48 -6.309 1.256 9.771
353 HD1 TRP 48 HD1 TRP 48 -8.508 -0.305 12.455
354 HE1 TRP 48 HE1 TRP 48 -7.182 -2.149 13.671
355 HE3 TRP 48 HE3 TRP 48 -3.872 0.463 10.445
356 HZ2 TRP 48 HZ2 TRP 48 -4.512 -3.163 13.783
357 HZ3 TRP 48 HZ3 TRP 48 -1.959 -0.956 11.128
358 HH2 TRP 48 HH2 TRP 48 -2.273 -2.766 12.792
359 H GLY 49 H GLY 49 -5.699 4.780 10.548
360 HA2 GLY 49 2HA GLY 49 -3.350 5.122 11.873
361 HA3 GLY 49 3HA GLY 49 -2.914 3.837 10.743
362 H HIS 50 H HIS 50 -2.616 7.047 11.049
363 HA HIS 50 HA HIS 50 -3.602 8.068 8.546
364 HB2 HIS 50 2HB HIS 50 -1.306 8.997 10.302
365 HB3 HIS 50 3HB HIS 50 -1.955 9.913 8.940
366 HD1 HIS 50 HD1 HIS 50 -4.726 10.251 9.140
367 HD2 HIS 50 HD2 HIS 50 -2.593 9.617 12.663
368 HE1 HIS 50 HE1 HIS 50 -6.218 11.035 11.031
369 H GLY 51 H GLY 51 -0.426 6.793 9.544
370 HA2 GLY 51 2HA GLY 51 0.126 6.019 6.727
371 HA3 GLY 51 3HA GLY 51 1.284 7.102 7.508
372 H ARG 52 H ARG 52 0.022 5.219 9.923
373 HA ARG 52 HA ARG 52 2.462 3.741 10.271
374 HB2 ARG 52 2HB ARG 52 -0.223 3.139 11.551
375 HB3 ARG 52 3HB ARG 52 1.366 2.717 12.176
376 HG2 ARG 52 2HG ARG 52 0.206 5.515 11.897
377 HG3 ARG 52 3HG ARG 52 0.549 4.666 13.397
378 HD2 ARG 52 2HD ARG 52 2.996 4.581 12.641
379 HD3 ARG 52 3HD ARG 52 2.546 5.719 11.376
380 HE ARG 52 HE ARG 52 2.953 6.367 14.162
381 HH11 ARG 52 1HH2 ARG 52 0.972 7.100 11.439
382 HH12 ARG 52 2HH2 ARG 52 0.971 8.805 11.733
383 HH21 ARG 52 1HH1 ARG 52 2.996 8.595 14.533
384 HH22 ARG 52 2HH1 ARG 52 2.127 9.653 13.473
385 H LEU 53 H LEU 53 0.051 3.272 8.052
386 HA LEU 53 HA LEU 53 -0.175 0.401 8.069
387 HB2 LEU 53 2HB LEU 53 -1.754 1.803 6.806
388 HB3 LEU 53 3HB LEU 53 -0.445 2.385 5.786
389 HG LEU 53 HG LEU 53 -0.095 0.103 4.909
390 HD11 LEU 53 1HD1 LEU 53 -0.692 -1.394 6.631
391 HD12 LEU 53 2HD1 LEU 53 -2.004 -1.588 5.479
392 HD13 LEU 53 3HD1 LEU 53 -2.239 -0.600 6.922
393 HD21 LEU 53 3HD2 LEU 53 -1.745 1.672 3.856
394 HD22 LEU 53 1HD2 LEU 53 -3.018 0.892 4.795
395 HD23 LEU 53 2HD2 LEU 53 -2.126 -0.028 3.584
396 H SER 54 H SER 54 2.028 2.687 6.466
397 HA SER 54 HA SER 54 3.461 0.817 4.876
398 HB2 SER 54 2HB SER 54 3.700 3.272 4.651
399 HB3 SER 54 3HB SER 54 4.515 3.328 6.213
400 HG SER 54 HG SER 54 6.272 2.687 5.263
401 H GLN 55 H GLN 55 4.036 1.917 8.213
402 HA GLN 55 HA GLN 55 6.400 0.315 8.600
403 HB2 GLN 55 2HB GLN 55 4.423 1.377 10.647
404 HB3 GLN 55 3HB GLN 55 6.043 0.776 11.000
405 HG2 GLN 55 2HG GLN 55 5.453 3.118 9.162
406 HG3 GLN 55 3HG GLN 55 5.930 3.277 10.851
407 HE21 GLN 55 1HE2 GLN 55 7.229 3.450 7.819
408 HE22 GLN 55 2HE2 GLN 55 8.815 2.943 8.152
409 H MET 56 H MET 56 2.949 -0.315 8.912
410 HA MET 56 HA MET 56 3.122 -2.707 10.466
411 HB2 MET 56 2HB MET 56 1.018 -1.408 9.945
412 HB3 MET 56 3HB MET 56 1.070 -2.084 8.320
413 HG2 MET 56 2HG MET 56 -0.404 -3.481 9.599
414 HG3 MET 56 3HG MET 56 1.086 -4.393 9.406
415 HE1 MET 56 3HE MET 56 -0.619 -4.995 13.010
416 HE2 MET 56 1HE MET 56 -0.139 -5.821 11.522
417 HE3 MET 56 2HE MET 56 -1.385 -4.577 11.480
418 H VAL 57 H VAL 57 3.064 -2.231 6.923
419 HA VAL 57 HA VAL 57 3.354 -5.058 6.349
420 HB VAL 57 HB VAL 57 3.924 -4.238 4.023
421 HG11 VAL 57 1HG1 VAL 57 1.604 -4.681 4.618
422 HG12 VAL 57 2HG1 VAL 57 1.669 -3.213 3.641
423 HG13 VAL 57 3HG1 VAL 57 1.463 -3.102 5.389
424 HG21 VAL 57 3HG2 VAL 57 3.744 -1.843 3.580
425 HG22 VAL 57 1HG2 VAL 57 4.995 -2.103 4.791
426 HG23 VAL 57 2HG2 VAL 57 3.404 -1.525 5.274
427 H LYS 58 H LYS 58 5.562 -2.541 7.195
428 HA LYS 58 HA LYS 58 7.941 -3.485 5.979
429 HB2 LYS 58 2HB LYS 58 7.659 -1.303 7.205
430 HB3 LYS 58 3HB LYS 58 7.689 -2.211 8.715
431 HG2 LYS 58 2HG LYS 58 9.938 -2.999 8.267
432 HG3 LYS 58 3HG LYS 58 9.908 -2.293 6.655
433 HD2 LYS 58 2HD LYS 58 11.168 -0.846 8.188
434 HD3 LYS 58 3HD LYS 58 9.711 -0.034 7.628
435 HE2 LYS 58 2HE LYS 58 10.266 0.091 10.167
436 HE3 LYS 58 3HE LYS 58 8.614 -0.311 9.718
437 HZ1 LYS 58 3HZ LYS 58 10.579 -2.463 10.096
438 HZ2 LYS 58 1HZ LYS 58 8.895 -2.503 10.288
439 HZ3 LYS 58 2HZ LYS 58 9.864 -1.738 11.456
440 H LYS 59 H LYS 59 6.225 -4.575 8.860
441 HA LYS 59 HA LYS 59 8.383 -6.262 9.831
442 HB2 LYS 59 2HB LYS 59 5.398 -6.322 10.370
443 HB3 LYS 59 3HB LYS 59 6.600 -7.264 11.252
444 HG2 LYS 59 2HG LYS 59 7.719 -5.200 11.971
445 HG3 LYS 59 3HG LYS 59 6.556 -4.239 11.057
446 HD2 LYS 59 2HD LYS 59 4.720 -5.199 12.441
447 HD3 LYS 59 3HD LYS 59 5.926 -6.063 13.396
448 HE2 LYS 59 2HE LYS 59 5.762 -3.052 13.072
449 HE3 LYS 59 3HE LYS 59 5.282 -3.959 14.506
450 HZ1 LYS 59 3HZ LYS 59 7.398 -3.438 15.077
451 HZ2 LYS 59 1HZ LYS 59 7.954 -3.383 13.475
452 HZ3 LYS 59 2HZ LYS 59 7.716 -4.882 14.238
453 H LEU 60 H LEU 60 6.489 -6.482 7.092
454 HA LEU 60 HA LEU 60 6.381 -9.479 7.074
455 HB2 LEU 60 2HB LEU 60 5.276 -7.523 5.033
456 HB3 LEU 60 3HB LEU 60 4.914 -9.243 5.171
457 HG LEU 60 HG LEU 60 4.234 -7.120 7.234
458 HD11 LEU 60 1HD1 LEU 60 1.928 -7.450 6.536
459 HD12 LEU 60 2HD1 LEU 60 2.411 -8.716 5.410
460 HD13 LEU 60 3HD1 LEU 60 2.893 -7.047 5.117
461 HD21 LEU 60 3HD2 LEU 60 3.872 -10.133 7.172
462 HD22 LEU 60 1HD2 LEU 60 2.797 -9.110 8.127
463 HD23 LEU 60 2HD2 LEU 60 4.520 -9.125 8.468
464 H ASP 61 H ASP 61 8.281 -10.329 6.396
465 HA ASP 61 HA ASP 61 10.207 -8.936 4.803
466 HB2 ASP 61 2HB ASP 61 10.733 -10.832 6.331
467 HB3 ASP 61 3HB ASP 61 9.933 -11.922 5.199
468 H PHE 62 H PHE 62 7.660 -11.261 3.897
469 HA PHE 62 HA PHE 62 8.589 -11.543 1.172
470 HB2 PHE 62 2HB PHE 62 6.342 -12.547 0.767
471 HB3 PHE 62 3HB PHE 62 7.184 -13.256 2.143
472 HD1 PHE 62 HD2 PHE 62 6.541 -12.652 4.467
473 HD2 PHE 62 HD1 PHE 62 4.305 -11.255 1.073
474 HE1 PHE 62 HE2 PHE 62 4.650 -12.061 5.956
475 HE2 PHE 62 HE1 PHE 62 2.415 -10.662 2.565
476 HZ PHE 62 HZ PHE 62 2.587 -11.068 5.006
477 H LEU 63 H LEU 63 7.983 -8.736 2.312
478 HA LEU 63 HA LEU 63 6.579 -7.748 -0.138
479 HB2 LEU 63 2HB LEU 63 5.838 -7.167 2.735
480 HB3 LEU 63 3HB LEU 63 5.472 -5.992 1.478
481 HG LEU 63 HG LEU 63 4.618 -8.881 1.102
482 HD11 LEU 63 1HD1 LEU 63 2.413 -8.267 2.138
483 HD12 LEU 63 2HD1 LEU 63 3.157 -6.780 2.731
484 HD13 LEU 63 3HD1 LEU 63 3.739 -8.344 3.295
485 HD21 LEU 63 3HD2 LEU 63 4.390 -7.209 -0.767
486 HD22 LEU 63 1HD2 LEU 63 3.351 -6.241 0.275
487 HD23 LEU 63 2HD2 LEU 63 2.841 -7.848 -0.236
488 H THR 64 H THR 64 7.739 -6.164 -1.062
489 HA THR 64 HA THR 64 10.062 -5.018 0.390
490 HB THR 64 HB THR 64 9.150 -4.673 -2.478
491 HG1 THR 64 HG1 THR 64 10.114 -6.484 -2.825
492 HG21 THR 64 3HG2 THR 64 10.573 -2.831 -1.818
493 HG22 THR 64 1HG2 THR 64 11.535 -3.942 -2.791
494 HG23 THR 64 2HG2 THR 64 11.705 -3.936 -1.036
495 H VAL 65 H VAL 65 10.083 -2.944 1.166
496 HA VAL 65 HA VAL 65 7.782 -1.114 0.488
497 HB VAL 65 HB VAL 65 9.322 -1.333 3.094
498 HG11 VAL 65 1HG1 VAL 65 8.555 0.937 2.748
499 HG12 VAL 65 2HG1 VAL 65 7.458 0.178 3.899
500 HG13 VAL 65 3HG1 VAL 65 6.970 0.374 2.215
501 HG21 VAL 65 3HG2 VAL 65 7.262 -2.286 4.003
502 HG22 VAL 65 1HG2 VAL 65 7.807 -3.264 2.642
503 HG23 VAL 65 2HG2 VAL 65 6.469 -2.134 2.435
504 H GLN 66 H GLN 66 8.374 0.827 -0.347
505 HA GLN 66 HA GLN 66 11.070 1.963 0.232
506 HB2 GLN 66 2HB GLN 66 9.994 1.419 -2.553
507 HB3 GLN 66 3HB GLN 66 11.373 2.465 -2.217
508 HG2 GLN 66 2HG GLN 66 12.495 0.539 -1.082
509 HG3 GLN 66 3HG GLN 66 11.151 -0.488 -1.579
510 HE21 GLN 66 1HE2 GLN 66 11.176 1.472 -4.122
511 HE22 GLN 66 2HE2 GLN 66 12.337 0.728 -5.113
512 H GLU 67 H GLU 67 11.145 4.259 -0.132
513 HA GLU 67 HA GLU 67 8.443 5.568 -0.168
514 HB2 GLU 67 2HB GLU 67 11.146 6.472 0.865
515 HB3 GLU 67 3HB GLU 67 9.731 7.522 0.803
516 HG2 GLU 67 2HG GLU 67 8.493 5.989 2.248
517 HG3 GLU 67 3HG GLU 67 9.855 4.875 2.269
518 H SER 68 H SER 68 7.996 7.231 -1.585
519 HA SER 68 HA SER 68 10.065 7.961 -3.637
520 HB2 SER 68 2HB SER 68 8.486 6.308 -4.592
521 HB3 SER 68 3HB SER 68 7.138 7.353 -4.149
522 HG SER 68 HG SER 68 8.721 7.458 -6.300
523 H ARG 69 H ARG 69 10.232 10.090 -3.931
524 HA ARG 69 HA ARG 69 8.771 11.965 -2.289
525 HB2 ARG 69 2HB ARG 69 11.109 12.316 -2.953
526 HB3 ARG 69 3HB ARG 69 10.645 12.329 -4.650
527 HG2 ARG 69 2HG ARG 69 9.369 14.346 -4.339
528 HG3 ARG 69 3HG ARG 69 9.690 14.356 -2.598
529 HD2 ARG 69 2HD ARG 69 12.065 14.686 -2.971
530 HD3 ARG 69 3HD ARG 69 11.895 14.411 -4.692
531 HE ARG 69 HE ARG 69 12.156 16.871 -3.995
532 HH11 ARG 69 1HH2 ARG 69 8.855 15.745 -3.702
533 HH12 ARG 69 2HH2 ARG 69 8.250 17.089 -4.590
534 HH21 ARG 69 1HH1 ARG 69 11.268 18.623 -4.972
535 HH22 ARG 69 2HH1 ARG 69 9.563 18.704 -5.242
536 H ASN 70 H ASN 70 6.866 13.059 -2.805
537 HA ASN 70 HA ASN 70 6.013 13.317 -5.651
538 HB2 ASN 70 2HB ASN 70 5.071 11.138 -4.844
539 HB3 ASN 70 3HB ASN 70 4.254 12.004 -3.546
540 HD21 ASN 70 1HD2 ASN 70 3.169 10.505 -6.023
541 HD22 ASN 70 2HD2 ASN 70 2.120 11.624 -6.751
542 H GLY 71 H GLY 71 5.883 15.521 -5.622
543 HA2 GLY 71 2HA GLY 71 5.040 17.646 -5.101
544 HA3 GLY 71 3HA GLY 71 3.707 16.820 -4.290
545 H SER 72 H SER 72 3.643 17.988 -2.382
546 HA SER 72 HA SER 72 6.108 18.568 -0.872
547 HB2 SER 72 2HB SER 72 4.196 20.160 -0.963
548 HB3 SER 72 3HB SER 72 3.206 18.979 -0.110
549 HG SER 72 HG SER 72 5.496 19.251 1.201
550 H LYS 73 H LYS 73 4.168 15.850 -1.169
551 HA LYS 73 HA LYS 73 5.009 14.836 1.534
552 HB2 LYS 73 2HB LYS 73 2.579 15.433 1.528
553 HB3 LYS 73 3HB LYS 73 2.345 14.310 0.190
554 HG2 LYS 73 2HG LYS 73 3.040 12.432 1.554
555 HG3 LYS 73 3HG LYS 73 3.515 13.504 2.867
556 HD2 LYS 73 2HD LYS 73 1.358 12.564 3.422
557 HD3 LYS 73 3HD LYS 73 1.128 14.265 3.036
558 HE2 LYS 73 2HE LYS 73 0.179 13.761 0.907
559 HE3 LYS 73 3HE LYS 73 0.764 12.097 0.948
560 HZ1 LYS 73 3HZ LYS 73 -1.476 13.322 2.406
561 HZ2 LYS 73 1HZ LYS 73 -0.686 11.977 3.072
562 HZ3 LYS 73 2HZ LYS 73 -1.422 11.858 1.545
563 H LEU 74 H LEU 74 6.302 13.138 1.235
564 HA LEU 74 HA LEU 74 6.620 11.821 -1.293
565 HB2 LEU 74 2HB LEU 74 8.002 10.180 -0.058
566 HB3 LEU 74 3HB LEU 74 8.424 11.836 0.350
567 HG LEU 74 HG LEU 74 6.520 11.327 2.296
568 HD11 LEU 74 1HD1 LEU 74 6.402 8.901 1.522
569 HD12 LEU 74 2HD1 LEU 74 6.813 9.119 3.215
570 HD13 LEU 74 3HD1 LEU 74 8.070 8.726 2.047
571 HD21 LEU 74 3HD2 LEU 74 9.485 10.679 2.466
572 HD22 LEU 74 1HD2 LEU 74 8.421 10.952 3.847
573 HD23 LEU 74 2HD2 LEU 74 8.754 12.266 2.719
574 H HIS 75 H HIS 75 5.726 9.943 -2.080
575 HA HIS 75 HA HIS 75 3.379 8.833 -0.583
576 HB2 HIS 75 2HB HIS 75 4.173 8.708 -3.511
577 HB3 HIS 75 3HB HIS 75 2.769 7.888 -2.824
578 HD1 HIS 75 HD1 HIS 75 3.187 10.974 -1.052
579 HD2 HIS 75 HD2 HIS 75 1.509 9.928 -4.720
580 HE1 HIS 75 HE1 HIS 75 1.667 12.887 -1.715
581 H SER 76 H SER 76 3.640 6.905 0.353
582 HA SER 76 HA SER 76 6.066 5.358 0.048
583 HB2 SER 76 2HB SER 76 4.747 3.683 1.463
584 HB3 SER 76 3HB SER 76 4.945 5.281 2.171
585 HG SER 76 HG SER 76 2.870 5.533 2.075
586 H GLU 77 H GLU 77 6.157 3.158 -0.793
587 HA GLU 77 HA GLU 77 3.965 2.325 -2.642
588 HB2 GLU 77 2HB GLU 77 6.876 2.700 -3.429
589 HB3 GLU 77 3HB GLU 77 5.690 1.832 -4.402
590 HG2 GLU 77 2HG GLU 77 4.310 3.859 -4.563
591 HG3 GLU 77 3HG GLU 77 5.473 4.737 -3.567
592 H ILE 78 H ILE 78 3.956 0.062 -2.994
593 HA ILE 78 HA ILE 78 6.027 -1.581 -1.603
594 HB ILE 78 HB ILE 78 4.267 -2.915 -0.492
595 HG12 ILE 78 2HG1 ILE 78 2.366 -0.741 -1.448
596 HG13 ILE 78 3HG1 ILE 78 2.413 -2.375 -2.102
597 HG21 ILE 78 1HG2 ILE 78 3.762 -1.326 1.262
598 HG22 ILE 78 2HG2 ILE 78 3.987 0.032 0.166
599 HG23 ILE 78 3HG2 ILE 78 5.368 -0.957 0.643
600 HD11 ILE 78 3HD1 ILE 78 0.665 -2.342 -0.465
601 HD12 ILE 78 1HD1 ILE 78 1.704 -1.556 0.720
602 HD13 ILE 78 2HD1 ILE 78 2.009 -3.228 0.251
603 H ARG 79 H ARG 79 6.095 -3.763 -2.364
604 HA ARG 79 HA ARG 79 4.300 -4.559 -4.563
605 HB2 ARG 79 2HB ARG 79 6.104 -4.927 -6.184
606 HB3 ARG 79 3HB ARG 79 6.042 -3.224 -5.733
607 HG2 ARG 79 2HG ARG 79 7.876 -3.587 -4.121
608 HG3 ARG 79 3HG ARG 79 7.966 -5.283 -4.592
609 HD2 ARG 79 2HD ARG 79 8.499 -2.887 -6.358
610 HD3 ARG 79 3HD ARG 79 9.677 -4.060 -5.777
611 HE ARG 79 HE ARG 79 7.546 -5.315 -7.307
612 HH11 ARG 79 1HH2 ARG 79 10.517 -3.555 -7.428
613 HH12 ARG 79 2HH2 ARG 79 10.947 -4.131 -9.004
614 HH21 ARG 79 1HH1 ARG 79 8.109 -6.081 -9.375
615 HH22 ARG 79 2HH1 ARG 79 9.591 -5.555 -10.103
616 H LEU 80 H LEU 80 4.459 -6.831 -5.003
617 HA LEU 80 HA LEU 80 5.216 -8.389 -2.690
618 HB2 LEU 80 2HB LEU 80 3.439 -8.763 -4.719
619 HB3 LEU 80 3HB LEU 80 4.752 -9.747 -5.332
620 HG LEU 80 HG LEU 80 3.232 -11.142 -4.053
621 HD11 LEU 80 1HD1 LEU 80 4.782 -12.202 -2.576
622 HD12 LEU 80 2HD1 LEU 80 5.681 -10.707 -2.342
623 HD13 LEU 80 3HD1 LEU 80 5.718 -11.524 -3.904
624 HD21 LEU 80 3HD2 LEU 80 3.785 -9.747 -1.442
625 HD22 LEU 80 1HD2 LEU 80 2.393 -10.691 -1.952
626 HD23 LEU 80 2HD2 LEU 80 2.581 -9.039 -2.513
627 H ARG 81 H ARG 81 7.110 -9.493 -2.322
628 HA ARG 81 HA ARG 81 9.494 -8.803 -3.696
629 HB2 ARG 81 2HB ARG 81 9.388 -9.692 -1.380
630 HB3 ARG 81 3HB ARG 81 8.913 -11.261 -2.025
631 HG2 ARG 81 2HG ARG 81 11.054 -11.426 -3.240
632 HG3 ARG 81 3HG ARG 81 11.523 -9.835 -2.644
633 HD2 ARG 81 2HD ARG 81 12.488 -11.787 -1.352
634 HD3 ARG 81 3HD ARG 81 11.594 -10.629 -0.369
635 HE ARG 81 HE ARG 81 9.738 -12.595 -1.138
636 HH11 ARG 81 1HH2 ARG 81 12.699 -12.345 0.617
637 HH12 ARG 81 2HH2 ARG 81 12.358 -13.709 1.630
638 HH21 ARG 81 1HH1 ARG 81 9.281 -14.364 0.176
639 HH22 ARG 81 2HH1 ARG 81 10.426 -14.853 1.381
640 H HIS 82 H HIS 82 7.506 -11.760 -3.925
641 HA HIS 82 HA HIS 82 9.167 -12.953 -5.972
642 HB2 HIS 82 2HB HIS 82 7.565 -14.169 -4.396
643 HB3 HIS 82 3HB HIS 82 6.248 -13.576 -5.403
644 HD1 HIS 82 HD1 HIS 82 6.403 -16.510 -5.395
645 HD2 HIS 82 HD2 HIS 82 8.794 -14.273 -7.975
646 HE1 HIS 82 HE1 HIS 82 7.071 -18.064 -7.279
647 H ASP 83 H ASP 83 6.517 -13.565 -7.533
648 HA ASP 83 HA ASP 83 5.653 -12.808 -9.585
649 HB2 ASP 83 2HB ASP 83 5.654 -10.261 -7.938
650 HB3 ASP 83 3HB ASP 83 4.864 -10.403 -9.508
651 H GLY 84 H GLY 84 5.985 -10.707 -11.199
652 HA2 GLY 84 2HA GLY 84 7.515 -9.493 -12.529
653 HA3 GLY 84 3HA GLY 84 8.720 -9.693 -11.255
654 H LEU 85 H LEU 85 10.248 -10.185 -13.024
655 HA LEU 85 HA LEU 85 11.400 -11.655 -14.450
656 HB2 LEU 85 2HB LEU 85 10.189 -13.493 -12.379
657 HB3 LEU 85 3HB LEU 85 11.223 -14.126 -13.650
658 HG LEU 85 HG LEU 85 12.427 -13.644 -11.498
659 HD11 LEU 85 1HD1 LEU 85 13.560 -11.747 -13.556
660 HD12 LEU 85 2HD1 LEU 85 13.479 -13.470 -13.910
661 HD13 LEU 85 3HD1 LEU 85 14.384 -12.902 -12.516
662 HD21 LEU 85 3HD2 LEU 85 12.754 -11.413 -10.719
663 HD22 LEU 85 1HD2 LEU 85 11.022 -11.568 -11.005
664 HD23 LEU 85 2HD2 LEU 85 12.039 -10.719 -12.170
665 H GLU 86 H GLU 86 8.608 -10.917 -15.145
666 HA GLU 86 HA GLU 86 7.098 -13.077 -16.158
667 HB2 GLU 86 2HB GLU 86 6.330 -10.706 -16.070
668 HB3 GLU 86 3HB GLU 86 7.417 -10.328 -17.405
669 HG2 GLU 86 2HG GLU 86 6.231 -11.894 -18.861
670 HG3 GLU 86 3HG GLU 86 5.194 -12.389 -17.525
671 H HIS 87 H HIS 87 7.269 -14.344 -17.970
672 HA HIS 87 HA HIS 87 9.816 -14.384 -19.408
673 HB2 HIS 87 2HB HIS 87 8.508 -16.443 -18.771
674 HB3 HIS 87 3HB HIS 87 7.291 -15.978 -19.956
675 HD1 HIS 87 HD1 HIS 87 8.079 -15.916 -22.499
676 HD2 HIS 87 HD2 HIS 87 10.788 -17.665 -19.856
677 HE1 HIS 87 HE1 HIS 87 9.747 -17.187 -23.918
678 H HIS 88 H HIS 88 9.975 -14.199 -21.767
679 HA HIS 88 HA HIS 88 8.482 -11.940 -22.810
680 HB2 HIS 88 2HB HIS 88 10.360 -13.893 -24.178
681 HB3 HIS 88 3HB HIS 88 9.744 -12.411 -24.910
682 HD1 HIS 88 HD1 HIS 88 10.457 -10.126 -23.711
683 HD2 HIS 88 HD2 HIS 88 12.528 -13.516 -22.449
684 HE1 HIS 88 HE1 HIS 88 12.497 -9.294 -22.463
685 H HIS 89 H HIS 89 6.833 -11.952 -24.372
686 HA HIS 89 HA HIS 89 5.130 -14.277 -24.433
687 HB2 HIS 89 2HB HIS 89 3.779 -12.958 -26.038
688 HB3 HIS 89 3HB HIS 89 4.224 -12.001 -24.625
689 HD1 HIS 89 HD1 HIS 89 6.636 -10.618 -25.032
690 HD2 HIS 89 HD2 HIS 89 4.374 -11.639 -28.381
691 HE1 HIS 89 HE1 HIS 89 7.418 -9.114 -26.912
692 H HIS 90 H HIS 90 5.129 -15.957 -25.836
693 HA HIS 90 HA HIS 90 7.254 -16.305 -27.742
694 HB2 HIS 90 2HB HIS 90 4.657 -17.820 -27.337
695 HB3 HIS 90 3HB HIS 90 5.946 -18.346 -28.419
696 HD1 HIS 90 HD1 HIS 90 5.235 -17.745 -24.750
697 HD2 HIS 90 HD2 HIS 90 8.131 -19.561 -27.137
698 HE1 HIS 90 HE1 HIS 90 6.763 -19.015 -23.181
699 H HIS 91 H HIS 91 3.868 -15.315 -28.037
700 HA HIS 91 HA HIS 91 3.472 -15.526 -30.794
701 HB2 HIS 91 2HB HIS 91 1.743 -14.771 -29.188
702 HB3 HIS 91 3HB HIS 91 2.586 -13.232 -29.021
703 HD1 HIS 91 HD1 HIS 91 1.069 -15.351 -31.812
704 HD2 HIS 91 HD2 HIS 91 1.767 -11.351 -30.869
705 HE1 HIS 91 HE1 HIS 91 0.016 -13.984 -33.666
706 H HIS 92 H HIS 92 3.945 -14.222 -32.584
707 HA HIS 92 HA HIS 92 6.440 -12.850 -32.610
708 HB2 HIS 92 2HB HIS 92 5.296 -13.837 -34.614
709 HB3 HIS 92 3HB HIS 92 4.135 -12.512 -34.556
710 HD1 HIS 92 HD1 HIS 92 5.069 -10.087 -35.031
711 HD2 HIS 92 HD2 HIS 92 7.804 -13.161 -35.702
712 HE1 HIS 92 HE1 HIS 92 6.965 -9.079 -36.375
Start of MODEL 10
1 H1 MET 1 1H MET 1 -16.438 -8.062 22.050
2 H2 MET 1 2H MET 1 -16.123 -6.935 20.819
3 H3 MET 1 3H MET 1 -15.292 -6.837 22.297
4 HA MET 1 HA MET 1 -13.669 -7.953 21.276
5 HB2 MET 1 2HB MET 1 -15.756 -10.140 21.556
6 HB3 MET 1 3HB MET 1 -14.051 -10.436 21.216
7 HG2 MET 1 2HG MET 1 -14.328 -10.686 23.587
8 HG3 MET 1 3HG MET 1 -13.516 -9.142 23.346
9 HE1 MET 1 3HE MET 1 -15.653 -8.239 26.370
10 HE2 MET 1 1HE MET 1 -14.073 -8.148 25.579
11 HE3 MET 1 2HE MET 1 -14.748 -9.712 26.035
12 HA PRO 2 HA PRO 2 -15.609 -7.601 17.015
13 HB2 PRO 2 2HB PRO 2 -13.064 -6.086 16.535
14 HB3 PRO 2 3HB PRO 2 -14.730 -5.643 16.102
15 HG2 PRO 2 2HG PRO 2 -13.472 -4.419 18.112
16 HG3 PRO 2 3HG PRO 2 -15.198 -4.820 18.230
17 HD2 PRO 2 2HD PRO 2 -12.848 -6.265 19.462
18 HD3 PRO 2 3HD PRO 2 -14.429 -5.877 20.183
19 H HIS 3 H HIS 3 -15.029 -8.830 15.176
20 HA HIS 3 HA HIS 3 -12.822 -10.770 15.562
21 HB2 HIS 3 2HB HIS 3 -15.052 -11.532 14.759
22 HB3 HIS 3 3HB HIS 3 -14.864 -10.520 13.328
23 HD1 HIS 3 HD1 HIS 3 -12.843 -13.246 15.095
24 HD2 HIS 3 HD2 HIS 3 -13.720 -11.912 11.245
25 HE1 HIS 3 HE1 HIS 3 -11.699 -14.850 13.503
26 H LYS 4 H LYS 4 -10.830 -10.232 14.816
27 HA LYS 4 HA LYS 4 -10.454 -8.065 12.877
28 HB2 LYS 4 2HB LYS 4 -8.892 -8.480 14.791
29 HB3 LYS 4 3HB LYS 4 -8.414 -9.995 14.026
30 HG2 LYS 4 2HG LYS 4 -7.617 -8.782 12.050
31 HG3 LYS 4 3HG LYS 4 -8.162 -7.257 12.748
32 HD2 LYS 4 2HD LYS 4 -6.605 -7.569 14.639
33 HD3 LYS 4 3HD LYS 4 -6.051 -9.085 13.926
34 HE2 LYS 4 2HE LYS 4 -5.284 -7.882 11.925
35 HE3 LYS 4 3HE LYS 4 -5.866 -6.364 12.606
36 HZ1 LYS 4 3HZ LYS 4 -4.074 -6.187 13.886
37 HZ2 LYS 4 1HZ LYS 4 -3.379 -7.410 12.939
38 HZ3 LYS 4 2HZ LYS 4 -4.158 -7.804 14.397
39 H GLU 5 H GLU 5 -9.964 -8.299 10.712
40 HA GLU 5 HA GLU 5 -10.666 -10.683 9.330
41 HB2 GLU 5 2HB GLU 5 -8.918 -8.354 8.479
42 HB3 GLU 5 3HB GLU 5 -9.483 -9.612 7.379
43 HG2 GLU 5 2HG GLU 5 -11.807 -9.034 7.846
44 HG3 GLU 5 3HG GLU 5 -11.299 -7.848 9.048
45 H LYS 6 H LYS 6 -9.551 -12.493 10.133
46 HA LYS 6 HA LYS 6 -6.628 -12.494 10.390
47 HB2 LYS 6 2HB LYS 6 -8.293 -13.851 11.805
48 HB3 LYS 6 3HB LYS 6 -8.480 -14.905 10.407
49 HG2 LYS 6 2HG LYS 6 -6.082 -15.427 10.446
50 HG3 LYS 6 3HG LYS 6 -5.836 -14.293 11.772
51 HD2 LYS 6 2HD LYS 6 -7.343 -15.636 13.193
52 HD3 LYS 6 3HD LYS 6 -7.578 -16.773 11.866
53 HE2 LYS 6 2HE LYS 6 -5.875 -17.647 13.382
54 HE3 LYS 6 3HE LYS 6 -5.121 -17.208 11.849
55 HZ1 LYS 6 3HZ LYS 6 -3.877 -16.418 13.801
56 HZ2 LYS 6 1HZ LYS 6 -5.204 -15.464 14.250
57 HZ3 LYS 6 2HZ LYS 6 -4.386 -15.147 12.796
58 H HIS 7 H HIS 7 -8.669 -12.593 7.774
59 HA HIS 7 HA HIS 7 -7.890 -14.689 6.128
60 HB2 HIS 7 2HB HIS 7 -8.514 -11.786 5.538
61 HB3 HIS 7 3HB HIS 7 -8.108 -12.879 4.218
62 HD1 HIS 7 HD1 HIS 7 -10.028 -14.157 7.173
63 HD2 HIS 7 HD2 HIS 7 -10.808 -12.897 3.278
64 HE1 HIS 7 HE1 HIS 7 -12.404 -14.863 6.655
65 HA PRO 8 HA PRO 8 -3.517 -14.368 5.480
66 HB2 PRO 8 2HB PRO 8 -3.322 -14.808 2.693
67 HB3 PRO 8 3HB PRO 8 -3.416 -16.075 3.932
68 HG2 PRO 8 2HG PRO 8 -5.594 -14.948 2.220
69 HG3 PRO 8 3HG PRO 8 -5.331 -16.617 2.750
70 HD2 PRO 8 2HD PRO 8 -7.212 -15.058 3.906
71 HD3 PRO 8 3HD PRO 8 -6.278 -16.231 4.866
72 H LEU 9 H LEU 9 -2.387 -12.525 5.537
73 HA LEU 9 HA LEU 9 -3.259 -10.059 4.367
74 HB2 LEU 9 2HB LEU 9 -0.558 -10.905 5.451
75 HB3 LEU 9 3HB LEU 9 -0.980 -9.244 5.045
76 HG LEU 9 HG LEU 9 -2.504 -10.934 7.059
77 HD11 LEU 9 1HD1 LEU 9 -0.236 -10.578 7.869
78 HD12 LEU 9 2HD1 LEU 9 -1.335 -9.533 8.769
79 HD13 LEU 9 3HD1 LEU 9 -0.332 -8.860 7.484
80 HD21 LEU 9 3HD2 LEU 9 -2.681 -8.040 6.164
81 HD22 LEU 9 1HD2 LEU 9 -3.179 -8.492 7.796
82 HD23 LEU 9 2HD2 LEU 9 -3.981 -9.206 6.407
83 H GLN 10 H GLN 10 -0.841 -12.462 3.375
84 HA GLN 10 HA GLN 10 0.385 -11.063 1.263
85 HB2 GLN 10 2HB GLN 10 1.045 -13.332 2.104
86 HB3 GLN 10 3HB GLN 10 -0.356 -14.007 1.274
87 HG2 GLN 10 2HG GLN 10 0.511 -13.225 -0.883
88 HG3 GLN 10 3HG GLN 10 1.876 -12.466 -0.066
89 HE21 GLN 10 1HE2 GLN 10 2.286 -14.483 -2.049
90 HE22 GLN 10 2HE2 GLN 10 2.931 -15.855 -1.285
91 H ASP 11 H ASP 11 -2.560 -13.087 1.124
92 HA ASP 11 HA ASP 11 -3.075 -12.600 -1.656
93 HB2 ASP 11 2HB ASP 11 -4.901 -13.354 0.638
94 HB3 ASP 11 3HB ASP 11 -5.434 -13.297 -1.039
95 H MET 12 H MET 12 -4.119 -10.940 1.317
96 HA MET 12 HA MET 12 -5.943 -9.134 0.085
97 HB2 MET 12 2HB MET 12 -5.792 -9.495 2.528
98 HB3 MET 12 3HB MET 12 -4.210 -8.719 2.542
99 HG2 MET 12 2HG MET 12 -5.162 -6.615 1.835
100 HG3 MET 12 3HG MET 12 -6.741 -7.357 1.574
101 HE1 MET 12 3HE MET 12 -7.923 -8.687 3.289
102 HE2 MET 12 1HE MET 12 -8.628 -7.079 3.503
103 HE3 MET 12 2HE MET 12 -8.211 -8.056 4.909
104 H PHE 13 H PHE 13 -2.483 -8.645 0.926
105 HA PHE 13 HA PHE 13 -2.375 -6.061 -0.381
106 HB2 PHE 13 2HB PHE 13 -0.215 -7.989 0.539
107 HB3 PHE 13 3HB PHE 13 0.156 -6.441 -0.219
108 HD1 PHE 13 HD2 PHE 13 -1.011 -4.338 0.781
109 HD2 PHE 13 HD1 PHE 13 -0.568 -8.048 2.907
110 HE1 PHE 13 HE2 PHE 13 -1.320 -3.145 2.928
111 HE2 PHE 13 HE1 PHE 13 -0.879 -6.848 5.056
112 HZ PHE 13 HZ PHE 13 -1.254 -4.398 5.066
113 H THR 14 H THR 14 -1.520 -9.369 -1.399
114 HA THR 14 HA THR 14 -0.330 -8.650 -3.885
115 HB THR 14 HB THR 14 -1.903 -11.150 -3.175
116 HG1 THR 14 HG1 THR 14 -0.195 -11.656 -2.096
117 HG21 THR 14 3HG2 THR 14 0.042 -10.527 -5.415
118 HG22 THR 14 1HG2 THR 14 -1.641 -11.030 -5.574
119 HG23 THR 14 2HG2 THR 14 -0.437 -12.165 -4.968
120 H SER 15 H SER 15 -3.710 -9.537 -3.128
121 HA SER 15 HA SER 15 -4.687 -9.214 -5.788
122 HB2 SER 15 2HB SER 15 -6.206 -8.773 -3.204
123 HB3 SER 15 3HB SER 15 -6.902 -9.132 -4.781
124 HG SER 15 HG SER 15 -6.139 -11.161 -4.667
125 H ALA 16 H ALA 16 -4.478 -6.890 -3.079
126 HA ALA 16 HA ALA 16 -5.776 -4.759 -4.517
127 HB1 ALA 16 3HB ALA 16 -3.809 -4.507 -2.225
128 HB2 ALA 16 1HB ALA 16 -5.517 -4.883 -2.019
129 HB3 ALA 16 2HB ALA 16 -5.035 -3.336 -2.710
130 H ILE 17 H ILE 17 -2.310 -5.428 -3.883
131 HA ILE 17 HA ILE 17 -1.336 -3.137 -5.283
132 HB ILE 17 HB ILE 17 -0.055 -5.842 -4.767
133 HG12 ILE 17 2HG1 ILE 17 0.414 -3.181 -3.370
134 HG13 ILE 17 3HG1 ILE 17 -0.764 -4.357 -2.792
135 HG21 ILE 17 1HG2 ILE 17 1.182 -4.836 -6.580
136 HG22 ILE 17 2HG2 ILE 17 2.107 -4.528 -5.118
137 HG23 ILE 17 3HG2 ILE 17 1.123 -3.247 -5.819
138 HD11 ILE 17 3HD1 ILE 17 1.059 -6.064 -2.664
139 HD12 ILE 17 1HD1 ILE 17 1.335 -4.688 -1.601
140 HD13 ILE 17 2HD1 ILE 17 2.217 -4.815 -3.122
141 H GLU 18 H GLU 18 -1.865 -6.492 -6.394
142 HA GLU 18 HA GLU 18 -0.933 -6.028 -9.064
143 HB2 GLU 18 2HB GLU 18 -2.863 -8.080 -7.940
144 HB3 GLU 18 3HB GLU 18 -2.273 -8.108 -9.601
145 HG2 GLU 18 2HG GLU 18 0.036 -8.288 -8.816
146 HG3 GLU 18 3HG GLU 18 -0.498 -8.161 -7.142
147 H ALA 19 H ALA 19 -4.081 -5.596 -7.526
148 HA ALA 19 HA ALA 19 -5.601 -5.227 -9.915
149 HB1 ALA 19 3HB ALA 19 -6.702 -5.545 -7.765
150 HB2 ALA 19 1HB ALA 19 -7.192 -3.990 -8.435
151 HB3 ALA 19 2HB ALA 19 -5.991 -4.054 -7.147
152 H VAL 20 H VAL 20 -3.704 -2.943 -7.952
153 HA VAL 20 HA VAL 20 -4.155 -0.826 -10.051
154 HB VAL 20 HB VAL 20 -3.752 0.836 -8.354
155 HG11 VAL 20 1HG1 VAL 20 -5.608 -1.303 -7.273
156 HG12 VAL 20 2HG1 VAL 20 -6.028 -0.137 -8.527
157 HG13 VAL 20 3HG1 VAL 20 -5.670 0.417 -6.891
158 HG21 VAL 20 3HG2 VAL 20 -3.448 0.056 -5.930
159 HG22 VAL 20 1HG2 VAL 20 -2.054 -0.167 -6.984
160 HG23 VAL 20 2HG2 VAL 20 -3.082 -1.537 -6.587
161 H ALA 21 H ALA 21 -1.983 -3.100 -9.650
162 HA ALA 21 HA ALA 21 0.503 -1.761 -9.211
163 HB1 ALA 21 3HB ALA 21 1.391 -3.749 -10.675
164 HB2 ALA 21 1HB ALA 21 -0.284 -4.301 -10.652
165 HB3 ALA 21 2HB ALA 21 0.612 -4.132 -9.145
166 H ARG 22 H ARG 22 -1.567 -0.653 -11.337
167 HA ARG 22 HA ARG 22 -0.312 -0.728 -13.882
168 HB2 ARG 22 2HB ARG 22 -2.074 1.403 -12.618
169 HB3 ARG 22 3HB ARG 22 -1.653 1.343 -14.333
170 HG2 ARG 22 2HG ARG 22 -2.665 -0.860 -14.551
171 HG3 ARG 22 3HG ARG 22 -3.019 -0.898 -12.828
172 HD2 ARG 22 2HD ARG 22 -4.899 -0.187 -14.560
173 HD3 ARG 22 3HD ARG 22 -4.783 0.627 -13.005
174 HE ARG 22 HE ARG 22 -3.238 2.261 -14.525
175 HH11 ARG 22 1HH2 ARG 22 -6.265 0.722 -15.257
176 HH12 ARG 22 2HH2 ARG 22 -6.866 2.063 -16.162
177 HH21 ARG 22 1HH1 ARG 22 -4.061 4.028 -15.681
178 HH22 ARG 22 2HH1 ARG 22 -5.634 3.923 -16.396
179 H ASP 23 H ASP 23 -0.228 2.345 -14.074
180 HA ASP 23 HA ASP 23 1.489 3.927 -14.153
181 HB2 ASP 23 2HB ASP 23 1.929 2.754 -11.385
182 HB3 ASP 23 3HB ASP 23 2.801 4.157 -11.991
183 H SER 24 H SER 24 3.429 1.743 -12.165
184 HA SER 24 HA SER 24 4.830 0.585 -14.465
185 HB2 SER 24 2HB SER 24 7.002 1.627 -13.967
186 HB3 SER 24 3HB SER 24 5.811 2.859 -14.374
187 HG SER 24 HG SER 24 6.637 2.051 -11.776
188 H GLY 25 H GLY 25 3.887 -1.170 -12.993
189 HA2 GLY 25 2HA GLY 25 4.407 -2.992 -11.600
190 HA3 GLY 25 3HA GLY 25 6.032 -2.327 -11.432
191 H TRP 26 H TRP 26 5.911 -0.097 -10.103
192 HA TRP 26 HA TRP 26 5.320 -0.739 -7.427
193 HB2 TRP 26 2HB TRP 26 5.419 1.996 -8.744
194 HB3 TRP 26 3HB TRP 26 5.452 1.721 -7.001
195 HD1 TRP 26 HD1 TRP 26 7.605 1.583 -10.094
196 HE1 TRP 26 HE1 TRP 26 10.022 0.975 -9.438
197 HE3 TRP 26 HE3 TRP 26 6.909 0.345 -5.188
198 HZ2 TRP 26 HZ2 TRP 26 11.469 0.082 -7.137
199 HZ3 TRP 26 HZ3 TRP 26 8.813 -0.389 -3.796
200 HH2 TRP 26 HH2 TRP 26 11.094 -0.517 -4.758
201 H ALA 27 H ALA 27 3.705 0.801 -6.110
202 HA ALA 27 HA ALA 27 1.117 1.212 -7.477
203 HB1 ALA 27 3HB ALA 27 1.554 -0.872 -5.314
204 HB2 ALA 27 1HB ALA 27 0.867 -1.117 -6.919
205 HB3 ALA 27 2HB ALA 27 -0.038 -0.220 -5.702
206 H GLU 28 H GLU 28 0.211 3.023 -6.585
207 HA GLU 28 HA GLU 28 1.511 4.422 -4.448
208 HB2 GLU 28 2HB GLU 28 -1.233 4.766 -5.689
209 HB3 GLU 28 3HB GLU 28 -0.538 5.891 -4.519
210 HG2 GLU 28 2HG GLU 28 1.351 6.327 -6.010
211 HG3 GLU 28 3HG GLU 28 0.746 5.138 -7.164
212 H LEU 29 H LEU 29 1.322 4.132 -2.289
213 HA LEU 29 HA LEU 29 -0.153 2.034 -1.122
214 HB2 LEU 29 2HB LEU 29 1.795 3.351 -0.107
215 HB3 LEU 29 3HB LEU 29 0.628 4.604 0.292
216 HG LEU 29 HG LEU 29 -0.705 2.601 1.438
217 HD11 LEU 29 1HD1 LEU 29 2.151 1.558 1.450
218 HD12 LEU 29 2HD1 LEU 29 0.784 0.794 0.642
219 HD13 LEU 29 3HD1 LEU 29 0.821 0.900 2.398
220 HD21 LEU 29 3HD2 LEU 29 0.119 4.447 2.751
221 HD22 LEU 29 1HD2 LEU 29 1.788 3.910 2.571
222 HD23 LEU 29 2HD2 LEU 29 0.662 2.976 3.555
223 H SER 30 H SER 30 -1.018 5.454 -1.549
224 HA SER 30 HA SER 30 -3.407 5.477 -0.024
225 HB2 SER 30 2HB SER 30 -2.827 6.935 -2.621
226 HB3 SER 30 3HB SER 30 -4.102 7.348 -1.479
227 HG SER 30 HG SER 30 -2.265 7.448 0.089
228 H ALA 31 H ALA 31 -2.848 4.504 -3.409
229 HA ALA 31 HA ALA 31 -5.594 3.974 -4.030
230 HB1 ALA 31 3HB ALA 31 -3.029 2.808 -5.154
231 HB2 ALA 31 1HB ALA 31 -3.975 4.135 -5.825
232 HB3 ALA 31 2HB ALA 31 -4.625 2.496 -5.836
233 H VAL 32 H VAL 32 -3.030 1.971 -2.604
234 HA VAL 32 HA VAL 32 -4.470 -0.498 -2.632
235 HB VAL 32 HB VAL 32 -2.378 0.502 -0.670
236 HG11 VAL 32 1HG1 VAL 32 -3.466 -2.274 -1.238
237 HG12 VAL 32 2HG1 VAL 32 -3.493 -1.407 0.298
238 HG13 VAL 32 3HG1 VAL 32 -1.964 -1.982 -0.361
239 HG21 VAL 32 3HG2 VAL 32 -1.688 0.490 -3.076
240 HG22 VAL 32 1HG2 VAL 32 -2.089 -1.227 -3.151
241 HG23 VAL 32 2HG2 VAL 32 -0.782 -0.671 -2.105
242 H GLY 33 H GLY 33 -4.188 2.013 -0.100
243 HA2 GLY 33 2HA GLY 33 -5.917 0.723 1.774
244 HA3 GLY 33 3HA GLY 33 -5.571 2.453 1.751
245 H SER 34 H SER 34 -6.624 3.276 -0.634
246 HA SER 34 HA SER 34 -9.425 3.408 -0.086
247 HB2 SER 34 2HB SER 34 -7.998 3.938 -2.708
248 HB3 SER 34 3HB SER 34 -9.612 4.494 -2.278
249 HG SER 34 HG SER 34 -8.756 5.838 -0.782
250 H TYR 35 H TYR 35 -7.566 1.436 -2.393
251 HA TYR 35 HA TYR 35 -9.787 0.217 -3.692
252 HB2 TYR 35 2HB TYR 35 -7.497 0.033 -4.558
253 HB3 TYR 35 3HB TYR 35 -7.015 -0.896 -3.139
254 HD1 TYR 35 HD1 TYR 35 -9.113 -0.919 -6.201
255 HD2 TYR 35 HD2 TYR 35 -7.579 -3.251 -2.932
256 HE1 TYR 35 HE1 TYR 35 -9.876 -2.995 -7.321
257 HE2 TYR 35 HE2 TYR 35 -8.343 -5.327 -4.056
258 HH TYR 35 HH TYR 35 -8.823 -5.862 -6.798
259 H LEU 36 H LEU 36 -7.918 -0.830 -0.840
260 HA LEU 36 HA LEU 36 -9.417 -3.224 -0.379
261 HB2 LEU 36 2HB LEU 36 -7.854 -1.447 1.515
262 HB3 LEU 36 3HB LEU 36 -8.526 -3.003 1.989
263 HG LEU 36 HG LEU 36 -6.631 -2.692 -0.368
264 HD11 LEU 36 1HD1 LEU 36 -4.848 -3.494 1.164
265 HD12 LEU 36 2HD1 LEU 36 -5.979 -3.394 2.513
266 HD13 LEU 36 3HD1 LEU 36 -5.485 -1.928 1.667
267 HD21 LEU 36 3HD2 LEU 36 -7.691 -5.058 1.219
268 HD22 LEU 36 1HD2 LEU 36 -6.222 -5.179 0.255
269 HD23 LEU 36 2HD2 LEU 36 -7.746 -4.802 -0.523
270 H ALA 37 H ALA 37 -9.869 0.115 0.749
271 HA ALA 37 HA ALA 37 -11.989 -0.380 2.569
272 HB1 ALA 37 3HB ALA 37 -12.587 1.960 2.269
273 HB2 ALA 37 1HB ALA 37 -11.705 2.028 0.743
274 HB3 ALA 37 2HB ALA 37 -10.828 1.824 2.261
275 H LYS 38 H LYS 38 -12.052 0.168 -0.951
276 HA LYS 38 HA LYS 38 -14.899 0.115 -1.232
277 HB2 LYS 38 2HB LYS 38 -12.688 -0.625 -3.171
278 HB3 LYS 38 3HB LYS 38 -14.385 -0.474 -3.626
279 HG2 LYS 38 2HG LYS 38 -14.398 1.867 -2.896
280 HG3 LYS 38 3HG LYS 38 -12.719 1.730 -2.373
281 HD2 LYS 38 2HD LYS 38 -12.059 1.184 -4.705
282 HD3 LYS 38 3HD LYS 38 -13.734 1.401 -5.212
283 HE2 LYS 38 2HE LYS 38 -12.078 3.544 -3.848
284 HE3 LYS 38 3HE LYS 38 -12.315 3.435 -5.592
285 HZ1 LYS 38 3HZ LYS 38 -14.001 4.597 -3.700
286 HZ2 LYS 38 1HZ LYS 38 -14.809 3.240 -4.320
287 HZ3 LYS 38 2HZ LYS 38 -14.251 4.451 -5.375
288 H ASN 39 H ASN 39 -12.451 -2.469 -1.415
289 HA ASN 39 HA ASN 39 -14.560 -4.535 -1.757
290 HB2 ASN 39 2HB ASN 39 -11.537 -4.728 -1.558
291 HB3 ASN 39 3HB ASN 39 -12.615 -6.091 -1.861
292 HD21 ASN 39 1HD2 ASN 39 -10.566 -4.225 -3.539
293 HD22 ASN 39 2HD2 ASN 39 -11.394 -4.076 -5.013
294 H ASP 40 H ASP 40 -13.494 -2.806 0.774
295 HA ASP 40 HA ASP 40 -14.435 -4.718 2.734
296 HB2 ASP 40 2HB ASP 40 -12.077 -5.532 2.262
297 HB3 ASP 40 3HB ASP 40 -11.488 -3.995 2.892
298 HA PRO 41 HA PRO 41 -14.803 -0.112 3.577
299 HB2 PRO 41 2HB PRO 41 -17.308 -1.217 4.850
300 HB3 PRO 41 3HB PRO 41 -17.108 0.244 3.854
301 HG2 PRO 41 2HG PRO 41 -18.218 -1.932 2.817
302 HG3 PRO 41 3HG PRO 41 -17.073 -0.970 1.859
303 HD2 PRO 41 2HD PRO 41 -16.598 -3.598 3.269
304 HD3 PRO 41 3HD PRO 41 -15.996 -3.050 1.687
305 H SER 42 H SER 42 -15.088 -2.986 5.570
306 HA SER 42 HA SER 42 -14.990 -1.743 8.139
307 HB2 SER 42 2HB SER 42 -15.555 -4.135 7.765
308 HB3 SER 42 3HB SER 42 -13.887 -4.437 7.284
309 HG SER 42 HG SER 42 -14.937 -4.337 9.735
310 H PHE 43 H PHE 43 -12.619 -2.015 5.666
311 HA PHE 43 HA PHE 43 -10.290 -1.991 7.418
312 HB2 PHE 43 2HB PHE 43 -10.523 -2.660 4.845
313 HB3 PHE 43 3HB PHE 43 -10.171 -0.958 4.573
314 HD1 PHE 43 HD2 PHE 43 -8.976 -3.856 6.626
315 HD2 PHE 43 HD1 PHE 43 -7.861 -0.336 4.425
316 HE1 PHE 43 HE2 PHE 43 -6.588 -4.362 7.028
317 HE2 PHE 43 HE1 PHE 43 -5.466 -0.853 4.830
318 HZ PHE 43 HZ PHE 43 -4.832 -2.860 6.133
319 H ASP 44 H ASP 44 -9.370 -0.266 8.357
320 HA ASP 44 HA ASP 44 -10.069 2.518 7.465
321 HB2 ASP 44 2HB ASP 44 -10.260 3.110 9.928
322 HB3 ASP 44 3HB ASP 44 -11.573 2.117 9.298
323 HA PRO 45 HA PRO 45 -5.456 1.869 8.020
324 HB2 PRO 45 2HB PRO 45 -5.512 4.105 5.998
325 HB3 PRO 45 3HB PRO 45 -4.539 2.617 5.994
326 HG2 PRO 45 2HG PRO 45 -6.614 2.874 4.350
327 HG3 PRO 45 3HG PRO 45 -6.290 1.330 5.155
328 HD2 PRO 45 2HD PRO 45 -8.366 3.403 5.854
329 HD3 PRO 45 3HD PRO 45 -8.513 1.628 5.849
330 H ARG 46 H ARG 46 -7.581 4.561 8.083
331 HA ARG 46 HA ARG 46 -5.822 6.552 9.160
332 HB2 ARG 46 2HB ARG 46 -8.822 6.170 9.220
333 HB3 ARG 46 3HB ARG 46 -8.027 7.633 9.787
334 HG2 ARG 46 2HG ARG 46 -7.455 6.584 6.989
335 HG3 ARG 46 3HG ARG 46 -8.908 7.534 7.289
336 HD2 ARG 46 2HD ARG 46 -6.054 8.434 7.818
337 HD3 ARG 46 3HD ARG 46 -7.113 9.015 6.539
338 HE ARG 46 HE ARG 46 -7.406 9.586 9.436
339 HH11 ARG 46 1HH2 ARG 46 -8.357 10.207 6.171
340 HH12 ARG 46 2HH2 ARG 46 -9.706 11.188 6.628
341 HH21 ARG 46 1HH1 ARG 46 -9.175 10.816 10.029
342 HH22 ARG 46 2HH1 ARG 46 -10.174 11.526 8.805
343 H ASN 47 H ASN 47 -8.055 4.233 10.657
344 HA ASN 47 HA ASN 47 -7.515 5.133 13.367
345 HB2 ASN 47 2HB ASN 47 -8.771 2.624 12.208
346 HB3 ASN 47 3HB ASN 47 -8.589 2.865 13.946
347 HD21 ASN 47 1HD2 ASN 47 -9.948 4.545 11.052
348 HD22 ASN 47 2HD2 ASN 47 -11.233 5.264 11.896
349 H TRP 48 H TRP 48 -5.728 3.301 11.114
350 HA TRP 48 HA TRP 48 -4.328 1.634 13.097
351 HB2 TRP 48 2HB TRP 48 -4.234 2.030 10.120
352 HB3 TRP 48 3HB TRP 48 -2.760 1.436 10.871
353 HD1 TRP 48 HD1 TRP 48 -6.177 0.353 9.780
354 HE1 TRP 48 HE1 TRP 48 -6.516 -2.139 10.355
355 HE3 TRP 48 HE3 TRP 48 -2.111 -0.420 12.766
356 HZ2 TRP 48 HZ2 TRP 48 -5.226 -4.185 11.879
357 HZ3 TRP 48 HZ3 TRP 48 -1.688 -2.647 13.767
358 HH2 TRP 48 HH2 TRP 48 -3.239 -4.531 13.328
359 H GLY 49 H GLY 49 -4.204 4.902 12.381
360 HA2 GLY 49 2HA GLY 49 -2.586 6.211 13.757
361 HA3 GLY 49 3HA GLY 49 -1.319 5.105 13.238
362 H HIS 50 H HIS 50 -3.624 5.832 10.823
363 HA HIS 50 HA HIS 50 -3.462 7.011 8.810
364 HB2 HIS 50 2HB HIS 50 -1.943 9.031 10.486
365 HB3 HIS 50 3HB HIS 50 -2.790 9.335 8.972
366 HD1 HIS 50 HD1 HIS 50 -3.662 7.873 12.396
367 HD2 HIS 50 HD2 HIS 50 -5.354 10.235 9.408
368 HE1 HIS 50 HE1 HIS 50 -5.949 8.560 13.236
369 H GLY 51 H GLY 51 -2.183 6.090 7.302
370 HA2 GLY 51 2HA GLY 51 -0.262 5.756 5.979
371 HA3 GLY 51 3HA GLY 51 0.570 6.949 6.976
372 H ARG 52 H ARG 52 -0.621 4.955 9.203
373 HA ARG 52 HA ARG 52 1.906 3.713 9.761
374 HB2 ARG 52 2HB ARG 52 -0.084 4.300 11.362
375 HB3 ARG 52 3HB ARG 52 -0.742 2.746 10.871
376 HG2 ARG 52 2HG ARG 52 0.474 2.175 12.809
377 HG3 ARG 52 3HG ARG 52 1.627 1.804 11.531
378 HD2 ARG 52 2HD ARG 52 2.982 3.055 12.974
379 HD3 ARG 52 3HD ARG 52 2.371 4.349 11.950
380 HE ARG 52 HE ARG 52 0.836 3.723 14.418
381 HH11 ARG 52 1HH2 ARG 52 3.035 5.801 12.708
382 HH12 ARG 52 2HH2 ARG 52 2.844 7.112 13.817
383 HH21 ARG 52 1HH1 ARG 52 0.616 5.436 15.869
384 HH22 ARG 52 2HH1 ARG 52 1.491 6.907 15.601
385 H LEU 53 H LEU 53 -0.453 2.965 7.503
386 HA LEU 53 HA LEU 53 -0.473 0.114 7.569
387 HB2 LEU 53 2HB LEU 53 -2.068 1.399 6.219
388 HB3 LEU 53 3HB LEU 53 -0.759 2.032 5.231
389 HG LEU 53 HG LEU 53 -0.261 -0.236 4.402
390 HD11 LEU 53 1HD1 LEU 53 -0.835 -1.723 6.156
391 HD12 LEU 53 2HD1 LEU 53 -2.075 -2.024 4.947
392 HD13 LEU 53 3HD1 LEU 53 -2.442 -1.023 6.353
393 HD21 LEU 53 3HD2 LEU 53 -1.940 1.207 3.259
394 HD22 LEU 53 1HD2 LEU 53 -3.213 0.443 4.210
395 HD23 LEU 53 2HD2 LEU 53 -2.285 -0.511 3.052
396 H SER 54 H SER 54 1.678 2.446 5.943
397 HA SER 54 HA SER 54 3.282 0.513 4.571
398 HB2 SER 54 2HB SER 54 3.368 2.944 4.087
399 HB3 SER 54 3HB SER 54 4.105 3.225 5.660
400 HG SER 54 HG SER 54 5.134 1.866 3.408
401 H GLN 55 H GLN 55 3.612 1.994 7.790
402 HA GLN 55 HA GLN 55 6.057 0.577 8.427
403 HB2 GLN 55 2HB GLN 55 3.997 1.996 10.147
404 HB3 GLN 55 3HB GLN 55 5.472 1.287 10.801
405 HG2 GLN 55 2HG GLN 55 5.861 3.654 10.376
406 HG3 GLN 55 3HG GLN 55 6.799 2.711 9.220
407 HE21 GLN 55 1HE2 GLN 55 6.773 4.111 7.403
408 HE22 GLN 55 2HE2 GLN 55 5.350 4.647 6.649
409 H MET 56 H MET 56 2.633 -0.175 8.675
410 HA MET 56 HA MET 56 2.891 -2.322 10.576
411 HB2 MET 56 2HB MET 56 0.730 -1.210 9.973
412 HB3 MET 56 3HB MET 56 0.811 -1.984 8.393
413 HG2 MET 56 2HG MET 56 0.785 -4.206 9.456
414 HG3 MET 56 3HG MET 56 0.771 -3.452 11.048
415 HE1 MET 56 3HE MET 56 -0.770 -3.622 7.653
416 HE2 MET 56 1HE MET 56 -2.522 -3.573 7.887
417 HE3 MET 56 2HE MET 56 -1.605 -4.999 8.365
418 H VAL 57 H VAL 57 2.796 -2.293 6.989
419 HA VAL 57 HA VAL 57 3.196 -5.159 6.791
420 HB VAL 57 HB VAL 57 3.612 -4.696 4.383
421 HG11 VAL 57 1HG1 VAL 57 1.300 -4.876 5.304
422 HG12 VAL 57 2HG1 VAL 57 1.389 -3.812 3.901
423 HG13 VAL 57 3HG1 VAL 57 1.280 -3.126 5.521
424 HG21 VAL 57 3HG2 VAL 57 3.407 -1.815 5.299
425 HG22 VAL 57 1HG2 VAL 57 3.360 -2.326 3.616
426 HG23 VAL 57 2HG2 VAL 57 4.813 -2.581 4.575
427 H LYS 58 H LYS 58 5.273 -2.546 7.448
428 HA LYS 58 HA LYS 58 7.703 -3.389 6.247
429 HB2 LYS 58 2HB LYS 58 7.315 -1.192 7.403
430 HB3 LYS 58 3HB LYS 58 7.393 -2.041 8.945
431 HG2 LYS 58 2HG LYS 58 9.676 -2.790 8.444
432 HG3 LYS 58 3HG LYS 58 9.603 -1.996 6.869
433 HD2 LYS 58 2HD LYS 58 9.276 0.184 7.983
434 HD3 LYS 58 3HD LYS 58 9.369 -0.609 9.556
435 HE2 LYS 58 2HE LYS 58 11.547 0.352 9.002
436 HE3 LYS 58 3HE LYS 58 11.658 -1.408 8.983
437 HZ1 LYS 58 3HZ LYS 58 12.430 -1.219 6.930
438 HZ2 LYS 58 1HZ LYS 58 12.078 0.439 6.866
439 HZ3 LYS 58 2HZ LYS 58 10.887 -0.697 6.445
440 H LYS 59 H LYS 59 5.985 -4.619 9.048
441 HA LYS 59 HA LYS 59 8.288 -6.125 10.071
442 HB2 LYS 59 2HB LYS 59 5.330 -6.363 10.691
443 HB3 LYS 59 3HB LYS 59 6.631 -7.122 11.608
444 HG2 LYS 59 2HG LYS 59 7.581 -4.820 12.012
445 HG3 LYS 59 3HG LYS 59 6.129 -4.149 11.279
446 HD2 LYS 59 2HD LYS 59 6.210 -5.952 13.724
447 HD3 LYS 59 3HD LYS 59 5.944 -4.210 13.744
448 HE2 LYS 59 2HE LYS 59 4.104 -6.379 12.711
449 HE3 LYS 59 3HE LYS 59 3.752 -5.098 13.866
450 HZ1 LYS 59 3HZ LYS 59 3.959 -4.950 10.940
451 HZ2 LYS 59 1HZ LYS 59 4.304 -3.571 11.865
452 HZ3 LYS 59 2HZ LYS 59 2.775 -4.304 11.973
453 H LEU 60 H LEU 60 6.302 -6.487 7.411
454 HA LEU 60 HA LEU 60 6.294 -9.483 7.469
455 HB2 LEU 60 2HB LEU 60 5.089 -7.593 5.424
456 HB3 LEU 60 3HB LEU 60 4.784 -9.322 5.582
457 HG LEU 60 HG LEU 60 4.089 -7.213 7.655
458 HD11 LEU 60 1HD1 LEU 60 2.275 -8.843 5.854
459 HD12 LEU 60 2HD1 LEU 60 2.702 -7.156 5.577
460 HD13 LEU 60 3HD1 LEU 60 1.776 -7.608 7.007
461 HD21 LEU 60 3HD2 LEU 60 2.715 -9.238 8.573
462 HD22 LEU 60 1HD2 LEU 60 4.446 -9.209 8.885
463 HD23 LEU 60 2HD2 LEU 60 3.799 -10.231 7.602
464 H ASP 61 H ASP 61 8.201 -10.296 6.775
465 HA ASP 61 HA ASP 61 10.075 -8.911 5.121
466 HB2 ASP 61 2HB ASP 61 9.762 -11.843 5.818
467 HB3 ASP 61 3HB ASP 61 11.127 -11.220 4.890
468 H PHE 62 H PHE 62 7.566 -11.316 4.276
469 HA PHE 62 HA PHE 62 8.445 -11.582 1.541
470 HB2 PHE 62 2HB PHE 62 6.267 -12.673 1.158
471 HB3 PHE 62 3HB PHE 62 7.063 -13.296 2.600
472 HD1 PHE 62 HD1 PHE 62 6.237 -12.730 4.852
473 HD2 PHE 62 HD2 PHE 62 4.248 -11.293 1.324
474 HE1 PHE 62 HE1 PHE 62 4.252 -12.133 6.211
475 HE2 PHE 62 HE2 PHE 62 2.270 -10.691 2.688
476 HZ PHE 62 HZ PHE 62 2.269 -11.114 5.127
477 H LEU 63 H LEU 63 7.835 -8.778 2.639
478 HA LEU 63 HA LEU 63 6.328 -7.837 0.233
479 HB2 LEU 63 2HB LEU 63 5.706 -7.263 3.133
480 HB3 LEU 63 3HB LEU 63 5.336 -6.038 1.923
481 HG LEU 63 HG LEU 63 4.380 -8.886 1.481
482 HD11 LEU 63 1HD1 LEU 63 3.592 -8.393 3.728
483 HD12 LEU 63 2HD1 LEU 63 2.235 -8.259 2.613
484 HD13 LEU 63 3HD1 LEU 63 3.025 -6.804 3.224
485 HD21 LEU 63 3HD2 LEU 63 4.152 -7.128 -0.310
486 HD22 LEU 63 1HD2 LEU 63 3.160 -6.184 0.799
487 HD23 LEU 63 2HD2 LEU 63 2.603 -7.759 0.237
488 H THR 64 H THR 64 7.351 -6.175 -0.743
489 HA THR 64 HA THR 64 9.787 -5.033 0.539
490 HB THR 64 HB THR 64 8.693 -4.727 -2.281
491 HG1 THR 64 HG1 THR 64 9.431 -6.863 -1.513
492 HG21 THR 64 3HG2 THR 64 11.054 -3.990 -2.744
493 HG22 THR 64 1HG2 THR 64 11.333 -3.969 -1.003
494 HG23 THR 64 2HG2 THR 64 10.150 -2.877 -1.719
495 H VAL 65 H VAL 65 9.853 -2.909 1.245
496 HA VAL 65 HA VAL 65 7.472 -1.144 0.686
497 HB VAL 65 HB VAL 65 9.160 -1.318 3.203
498 HG11 VAL 65 1HG1 VAL 65 6.789 0.415 2.433
499 HG12 VAL 65 2HG1 VAL 65 8.404 0.958 2.889
500 HG13 VAL 65 3HG1 VAL 65 7.351 0.221 4.094
501 HG21 VAL 65 3HG2 VAL 65 6.266 -2.086 2.716
502 HG22 VAL 65 1HG2 VAL 65 7.148 -2.230 4.236
503 HG23 VAL 65 2HG2 VAL 65 7.599 -3.231 2.858
504 H GLN 66 H GLN 66 7.975 0.775 -0.195
505 HA GLN 66 HA GLN 66 10.616 2.029 0.261
506 HB2 GLN 66 2HB GLN 66 10.916 0.557 -1.749
507 HB3 GLN 66 3HB GLN 66 9.606 1.435 -2.536
508 HG2 GLN 66 2HG GLN 66 10.842 3.504 -2.475
509 HG3 GLN 66 3HG GLN 66 12.101 2.783 -1.471
510 HE21 GLN 66 1HE2 GLN 66 11.632 3.731 -4.578
511 HE22 GLN 66 2HE2 GLN 66 12.583 2.586 -5.392
512 H GLU 67 H GLU 67 10.556 4.285 -0.288
513 HA GLU 67 HA GLU 67 7.988 5.429 -1.217
514 HB2 GLU 67 2HB GLU 67 7.858 6.945 0.765
515 HB3 GLU 67 3HB GLU 67 7.596 5.255 1.186
516 HG2 GLU 67 2HG GLU 67 10.300 6.600 1.444
517 HG3 GLU 67 3HG GLU 67 9.123 6.521 2.746
518 H SER 68 H SER 68 8.213 7.658 -1.842
519 HA SER 68 HA SER 68 10.980 8.791 -1.803
520 HB2 SER 68 2HB SER 68 10.828 7.521 -3.912
521 HB3 SER 68 3HB SER 68 9.340 8.370 -4.323
522 HG SER 68 HG SER 68 10.570 10.324 -4.227
523 H ARG 69 H ARG 69 10.913 10.944 -1.449
524 HA ARG 69 HA ARG 69 8.436 12.298 -0.944
525 HB2 ARG 69 2HB ARG 69 11.260 13.290 -1.379
526 HB3 ARG 69 3HB ARG 69 9.925 14.373 -1.007
527 HG2 ARG 69 2HG ARG 69 9.531 13.283 1.089
528 HG3 ARG 69 3HG ARG 69 10.744 12.039 0.762
529 HD2 ARG 69 2HD ARG 69 12.533 13.640 0.811
530 HD3 ARG 69 3HD ARG 69 11.435 15.001 0.747
531 HE ARG 69 HE ARG 69 12.498 14.513 3.035
532 HH11 ARG 69 1HH2 ARG 69 9.754 12.480 2.571
533 HH12 ARG 69 2HH2 ARG 69 8.925 13.111 3.949
534 HH21 ARG 69 1HH1 ARG 69 11.455 15.250 4.846
535 HH22 ARG 69 2HH1 ARG 69 9.886 14.637 5.245
536 H ASN 70 H ASN 70 7.243 11.889 -2.978
537 HA ASN 70 HA ASN 70 8.265 13.327 -5.398
538 HB2 ASN 70 2HB ASN 70 5.971 11.384 -4.986
539 HB3 ASN 70 3HB ASN 70 6.298 12.202 -6.513
540 HD21 ASN 70 1HD2 ASN 70 6.445 9.324 -6.211
541 HD22 ASN 70 2HD2 ASN 70 8.062 8.865 -6.454
542 H GLY 71 H GLY 71 7.167 15.068 -6.272
543 HA2 GLY 71 2HA GLY 71 5.792 16.966 -6.270
544 HA3 GLY 71 3HA GLY 71 4.534 15.900 -5.643
545 H SER 72 H SER 72 3.697 17.268 -4.087
546 HA SER 72 HA SER 72 5.525 18.401 -2.000
547 HB2 SER 72 2HB SER 72 4.011 20.044 -2.865
548 HB3 SER 72 3HB SER 72 2.646 18.935 -2.773
549 HG SER 72 HG SER 72 3.973 19.295 -0.396
550 H LYS 73 H LYS 73 4.136 15.518 -2.452
551 HA LYS 73 HA LYS 73 3.536 15.147 0.469
552 HB2 LYS 73 2HB LYS 73 1.425 15.403 -0.912
553 HB3 LYS 73 3HB LYS 73 1.878 13.928 -1.764
554 HG2 LYS 73 2HG LYS 73 1.980 12.760 0.471
555 HG3 LYS 73 3HG LYS 73 1.328 14.221 1.207
556 HD2 LYS 73 2HD LYS 73 -0.036 12.681 -1.025
557 HD3 LYS 73 3HD LYS 73 -0.412 12.481 0.684
558 HE2 LYS 73 2HE LYS 73 -0.847 15.035 0.709
559 HE3 LYS 73 3HE LYS 73 -0.866 14.917 -1.052
560 HZ1 LYS 73 3HZ LYS 73 -2.812 13.840 -1.048
561 HZ2 LYS 73 1HZ LYS 73 -3.003 14.523 0.492
562 HZ3 LYS 73 2HZ LYS 73 -2.443 12.927 0.337
563 H LEU 74 H LEU 74 4.335 13.255 1.293
564 HA LEU 74 HA LEU 74 6.260 11.772 -0.241
565 HB2 LEU 74 2HB LEU 74 6.436 11.949 2.211
566 HB3 LEU 74 3HB LEU 74 4.927 11.070 2.395
567 HG LEU 74 HG LEU 74 5.950 9.064 1.405
568 HD11 LEU 74 1HD1 LEU 74 8.553 9.186 1.148
569 HD12 LEU 74 2HD1 LEU 74 8.306 10.923 1.005
570 HD13 LEU 74 3HD1 LEU 74 7.557 9.824 -0.154
571 HD21 LEU 74 3HD2 LEU 74 7.591 10.347 3.614
572 HD22 LEU 74 1HD2 LEU 74 7.604 8.627 3.225
573 HD23 LEU 74 2HD2 LEU 74 6.128 9.385 3.825
574 H HIS 75 H HIS 75 5.944 10.062 -1.577
575 HA HIS 75 HA HIS 75 3.217 8.788 -1.657
576 HB2 HIS 75 2HB HIS 75 5.376 9.139 -3.763
577 HB3 HIS 75 3HB HIS 75 3.969 8.101 -3.991
578 HD1 HIS 75 HD1 HIS 75 4.750 11.739 -3.147
579 HD2 HIS 75 HD2 HIS 75 1.723 9.453 -4.879
580 HE1 HIS 75 HE1 HIS 75 3.017 13.376 -4.007
581 H SER 76 H SER 76 3.362 7.038 -0.351
582 HA SER 76 HA SER 76 5.799 5.390 -0.247
583 HB2 SER 76 2HB SER 76 3.113 5.295 1.136
584 HB3 SER 76 3HB SER 76 4.298 4.003 1.323
585 HG SER 76 HG SER 76 5.082 5.272 2.805
586 H GLU 77 H GLU 77 5.865 3.186 -0.962
587 HA GLU 77 HA GLU 77 3.565 2.168 -2.563
588 HB2 GLU 77 2HB GLU 77 6.393 2.398 -3.656
589 HB3 GLU 77 3HB GLU 77 5.038 1.599 -4.446
590 HG2 GLU 77 2HG GLU 77 5.046 3.720 -5.479
591 HG3 GLU 77 3HG GLU 77 3.817 3.899 -4.233
592 H ILE 78 H ILE 78 3.576 -0.092 -2.743
593 HA ILE 78 HA ILE 78 5.749 -1.591 -1.312
594 HB ILE 78 HB ILE 78 4.002 -2.964 -0.212
595 HG12 ILE 78 2HG1 ILE 78 2.058 -0.859 -1.230
596 HG13 ILE 78 3HG1 ILE 78 2.185 -2.478 -1.906
597 HG21 ILE 78 1HG2 ILE 78 3.374 -1.296 1.460
598 HG22 ILE 78 2HG2 ILE 78 3.694 0.005 0.316
599 HG23 ILE 78 3HG2 ILE 78 5.021 -0.988 0.913
600 HD11 ILE 78 3HD1 ILE 78 1.723 -3.400 0.390
601 HD12 ILE 78 1HD1 ILE 78 0.382 -2.488 -0.301
602 HD13 ILE 78 2HD1 ILE 78 1.411 -1.751 0.927
603 H ARG 79 H ARG 79 5.986 -3.770 -2.026
604 HA ARG 79 HA ARG 79 4.372 -4.646 -4.381
605 HB2 ARG 79 2HB ARG 79 7.405 -4.584 -4.326
606 HB3 ARG 79 3HB ARG 79 6.416 -5.304 -5.589
607 HG2 ARG 79 2HG ARG 79 5.413 -3.101 -6.071
608 HG3 ARG 79 3HG ARG 79 6.422 -2.376 -4.818
609 HD2 ARG 79 2HD ARG 79 7.634 -1.981 -6.819
610 HD3 ARG 79 3HD ARG 79 8.429 -3.392 -6.142
611 HE ARG 79 HE ARG 79 6.271 -4.035 -8.010
612 HH11 ARG 79 1HH2 ARG 79 9.615 -3.291 -7.550
613 HH12 ARG 79 2HH2 ARG 79 10.093 -3.866 -9.111
614 HH21 ARG 79 1HH1 ARG 79 6.884 -4.758 -10.067
615 HH22 ARG 79 2HH1 ARG 79 8.550 -4.691 -10.534
616 H LEU 80 H LEU 80 4.515 -6.952 -4.711
617 HA LEU 80 HA LEU 80 4.900 -8.399 -2.183
618 HB2 LEU 80 2HB LEU 80 3.082 -8.712 -4.120
619 HB3 LEU 80 3HB LEU 80 4.293 -9.785 -4.798
620 HG LEU 80 HG LEU 80 2.793 -11.103 -3.439
621 HD11 LEU 80 1HD1 LEU 80 4.369 -12.201 -2.014
622 HD12 LEU 80 2HD1 LEU 80 5.311 -10.728 -1.806
623 HD13 LEU 80 3HD1 LEU 80 5.294 -11.548 -3.366
624 HD21 LEU 80 3HD2 LEU 80 2.338 -8.898 -1.897
625 HD22 LEU 80 1HD2 LEU 80 3.478 -9.745 -0.850
626 HD23 LEU 80 2HD2 LEU 80 1.992 -10.527 -1.357
627 H ARG 81 H ARG 81 7.115 -8.410 -1.780
628 HA ARG 81 HA ARG 81 9.415 -8.839 -2.132
629 HB2 ARG 81 2HB ARG 81 8.240 -10.969 -1.384
630 HB3 ARG 81 3HB ARG 81 8.282 -11.487 -3.067
631 HG2 ARG 81 2HG ARG 81 10.736 -11.347 -3.077
632 HG3 ARG 81 3HG ARG 81 10.725 -10.728 -1.429
633 HD2 ARG 81 2HD ARG 81 9.435 -13.387 -2.060
634 HD3 ARG 81 3HD ARG 81 11.174 -13.277 -1.794
635 HE ARG 81 HE ARG 81 10.191 -11.976 0.402
636 HH11 ARG 81 1HH2 ARG 81 9.393 -14.965 -1.144
637 HH12 ARG 81 2HH2 ARG 81 8.995 -15.773 0.333
638 HH21 ARG 81 1HH1 ARG 81 9.690 -13.029 2.338
639 HH22 ARG 81 2HH1 ARG 81 9.167 -14.679 2.305
640 H HIS 82 H HIS 82 8.821 -7.337 -4.272
641 HA HIS 82 HA HIS 82 9.424 -8.795 -6.783
642 HB2 HIS 82 2HB HIS 82 8.757 -5.925 -6.071
643 HB3 HIS 82 3HB HIS 82 9.394 -6.318 -7.666
644 HD1 HIS 82 HD1 HIS 82 6.631 -7.708 -5.399
645 HD2 HIS 82 HD2 HIS 82 7.351 -6.879 -9.419
646 HE1 HIS 82 HE1 HIS 82 4.496 -8.266 -6.641
647 H ASP 83 H ASP 83 11.539 -9.452 -5.568
648 HA ASP 83 HA ASP 83 13.635 -7.384 -5.483
649 HB2 ASP 83 2HB ASP 83 13.600 -9.264 -3.855
650 HB3 ASP 83 3HB ASP 83 13.836 -10.398 -5.185
651 H GLY 84 H GLY 84 14.521 -6.724 -7.376
652 HA2 GLY 84 2HA GLY 84 15.713 -6.902 -9.406
653 HA3 GLY 84 3HA GLY 84 15.654 -8.658 -9.246
654 H LEU 85 H LEU 85 15.050 -6.889 -11.589
655 HA LEU 85 HA LEU 85 12.221 -6.855 -12.064
656 HB2 LEU 85 2HB LEU 85 14.405 -7.116 -14.155
657 HB3 LEU 85 3HB LEU 85 12.792 -6.442 -14.378
658 HG LEU 85 HG LEU 85 14.962 -5.285 -12.597
659 HD11 LEU 85 1HD1 LEU 85 14.999 -3.464 -14.275
660 HD12 LEU 85 2HD1 LEU 85 13.820 -4.346 -15.245
661 HD13 LEU 85 3HD1 LEU 85 15.431 -5.017 -14.994
662 HD21 LEU 85 3HD2 LEU 85 12.904 -4.657 -11.586
663 HD22 LEU 85 1HD2 LEU 85 12.090 -4.470 -13.138
664 HD23 LEU 85 2HD2 LEU 85 13.290 -3.288 -12.619
665 H GLU 86 H GLU 86 14.744 -9.250 -12.795
666 HA GLU 86 HA GLU 86 12.878 -11.444 -12.636
667 HB2 GLU 86 2HB GLU 86 12.246 -10.514 -14.877
668 HB3 GLU 86 3HB GLU 86 13.906 -10.766 -15.412
669 HG2 GLU 86 2HG GLU 86 13.702 -13.176 -15.021
670 HG3 GLU 86 3HG GLU 86 12.075 -12.956 -14.380
671 H HIS 87 H HIS 87 15.666 -10.976 -14.814
672 HA HIS 87 HA HIS 87 17.001 -13.327 -13.720
673 HB2 HIS 87 2HB HIS 87 18.778 -12.791 -15.316
674 HB3 HIS 87 3HB HIS 87 17.208 -12.657 -16.106
675 HD1 HIS 87 HD1 HIS 87 16.210 -10.095 -16.155
676 HD2 HIS 87 HD2 HIS 87 20.313 -10.499 -15.537
677 HE1 HIS 87 HE1 HIS 87 17.236 -7.835 -16.657
678 H HIS 88 H HIS 88 19.404 -13.067 -13.058
679 HA HIS 88 HA HIS 88 20.173 -10.570 -11.761
680 HB2 HIS 88 2HB HIS 88 18.534 -11.429 -10.115
681 HB3 HIS 88 3HB HIS 88 19.419 -12.952 -10.032
682 HD1 HIS 88 HD1 HIS 88 19.986 -9.240 -9.389
683 HD2 HIS 88 HD2 HIS 88 21.508 -12.934 -8.202
684 HE1 HIS 88 HE1 HIS 88 21.672 -8.766 -7.559
685 H HIS 89 H HIS 89 22.334 -10.550 -12.091
686 HA HIS 89 HA HIS 89 24.512 -11.327 -12.508
687 HB2 HIS 89 2HB HIS 89 24.337 -11.729 -10.068
688 HB3 HIS 89 3HB HIS 89 23.701 -13.341 -10.390
689 HD1 HIS 89 HD1 HIS 89 26.760 -11.332 -11.509
690 HD2 HIS 89 HD2 HIS 89 25.727 -15.203 -10.360
691 HE1 HIS 89 HE1 HIS 89 28.898 -12.689 -11.561
692 H HIS 90 H HIS 90 23.917 -12.066 -14.677
693 HA HIS 90 HA HIS 90 23.059 -14.802 -15.143
694 HB2 HIS 90 2HB HIS 90 22.666 -12.914 -16.741
695 HB3 HIS 90 3HB HIS 90 24.400 -12.871 -17.060
696 HD1 HIS 90 HD1 HIS 90 25.257 -14.449 -18.813
697 HD2 HIS 90 HD2 HIS 90 21.459 -15.529 -17.474
698 HE1 HIS 90 HE1 HIS 90 24.496 -16.363 -20.285
699 H HIS 91 H HIS 91 24.330 -16.600 -15.537
700 HA HIS 91 HA HIS 91 27.094 -16.540 -14.673
701 HB2 HIS 91 2HB HIS 91 25.478 -18.700 -16.060
702 HB3 HIS 91 3HB HIS 91 27.089 -18.937 -15.384
703 HD1 HIS 91 HD1 HIS 91 27.302 -18.485 -12.732
704 HD2 HIS 91 HD2 HIS 91 23.417 -18.878 -14.191
705 HE1 HIS 91 HE1 HIS 91 25.819 -18.899 -10.720
706 H HIS 92 H HIS 92 28.961 -16.594 -15.914
707 HA HIS 92 HA HIS 92 28.962 -15.411 -18.489
708 HB2 HIS 92 2HB HIS 92 31.321 -16.163 -18.622
709 HB3 HIS 92 3HB HIS 92 30.955 -15.460 -17.047
710 HD1 HIS 92 HD1 HIS 92 30.457 -17.227 -15.077
711 HD2 HIS 92 HD2 HIS 92 32.180 -18.816 -18.522
712 HE1 HIS 92 HE1 HIS 92 31.347 -19.512 -14.444
Start of MODEL 11
1 H1 MET 1 1H MET 1 -18.860 -16.091 11.456
2 H2 MET 1 2H MET 1 -20.467 -15.605 11.709
3 H3 MET 1 3H MET 1 -19.222 -14.972 12.677
4 HA MET 1 HA MET 1 -18.640 -14.499 9.952
5 HB2 MET 1 2HB MET 1 -21.329 -13.546 10.977
6 HB3 MET 1 3HB MET 1 -20.536 -12.926 9.528
7 HG2 MET 1 2HG MET 1 -20.599 -15.117 8.485
8 HG3 MET 1 3HG MET 1 -21.217 -15.848 9.965
9 HE1 MET 1 3HE MET 1 -22.651 -16.776 7.922
10 HE2 MET 1 1HE MET 1 -24.344 -16.267 7.933
11 HE3 MET 1 2HE MET 1 -23.574 -16.804 9.423
12 HA PRO 2 HA PRO 2 -17.104 -11.781 13.457
13 HB2 PRO 2 2HB PRO 2 -14.568 -12.071 11.875
14 HB3 PRO 2 3HB PRO 2 -14.825 -12.240 13.626
15 HG2 PRO 2 2HG PRO 2 -14.412 -14.387 12.091
16 HG3 PRO 2 3HG PRO 2 -15.580 -14.436 13.431
17 HD2 PRO 2 2HD PRO 2 -16.127 -14.138 10.474
18 HD3 PRO 2 3HD PRO 2 -16.991 -15.119 11.682
19 H HIS 3 H HIS 3 -16.779 -9.536 13.335
20 HA HIS 3 HA HIS 3 -17.549 -8.198 10.912
21 HB2 HIS 3 2HB HIS 3 -17.912 -7.244 13.172
22 HB3 HIS 3 3HB HIS 3 -16.168 -7.067 13.369
23 HD1 HIS 3 HD1 HIS 3 -14.975 -5.244 11.930
24 HD2 HIS 3 HD2 HIS 3 -19.114 -5.333 11.445
25 HE1 HIS 3 HE1 HIS 3 -15.599 -3.114 10.712
26 H LYS 4 H LYS 4 -14.397 -8.575 12.536
27 HA LYS 4 HA LYS 4 -12.968 -7.139 10.422
28 HB2 LYS 4 2HB LYS 4 -12.013 -8.841 12.749
29 HB3 LYS 4 3HB LYS 4 -10.938 -7.956 11.665
30 HG2 LYS 4 2HG LYS 4 -12.032 -5.843 12.281
31 HG3 LYS 4 3HG LYS 4 -13.138 -6.714 13.342
32 HD2 LYS 4 2HD LYS 4 -11.201 -7.521 14.669
33 HD3 LYS 4 3HD LYS 4 -10.122 -6.585 13.634
34 HE2 LYS 4 2HE LYS 4 -12.407 -5.389 15.229
35 HE3 LYS 4 3HE LYS 4 -10.724 -5.399 15.761
36 HZ1 LYS 4 3HZ LYS 4 -12.011 -3.780 13.742
37 HZ2 LYS 4 1HZ LYS 4 -10.513 -4.421 13.273
38 HZ3 LYS 4 2HZ LYS 4 -10.624 -3.465 14.672
39 H GLU 5 H GLU 5 -11.928 -8.022 8.673
40 HA GLU 5 HA GLU 5 -12.375 -10.922 8.127
41 HB2 GLU 5 2HB GLU 5 -11.395 -10.150 5.815
42 HB3 GLU 5 3HB GLU 5 -13.026 -9.643 6.253
43 HG2 GLU 5 2HG GLU 5 -12.255 -7.464 6.942
44 HG3 GLU 5 3HG GLU 5 -10.568 -7.944 6.774
45 H LYS 6 H LYS 6 -10.775 -12.254 8.790
46 HA LYS 6 HA LYS 6 -7.972 -11.261 9.018
47 HB2 LYS 6 2HB LYS 6 -9.136 -13.970 9.755
48 HB3 LYS 6 3HB LYS 6 -7.545 -13.359 10.197
49 HG2 LYS 6 2HG LYS 6 -10.162 -12.091 11.070
50 HG3 LYS 6 3HG LYS 6 -9.235 -13.218 12.053
51 HD2 LYS 6 2HD LYS 6 -7.283 -11.625 11.917
52 HD3 LYS 6 3HD LYS 6 -8.339 -10.474 11.104
53 HE2 LYS 6 2HE LYS 6 -9.846 -10.420 13.015
54 HE3 LYS 6 3HE LYS 6 -8.875 -11.639 13.841
55 HZ1 LYS 6 3HZ LYS 6 -8.422 -8.817 13.570
56 HZ2 LYS 6 1HZ LYS 6 -7.060 -9.743 13.168
57 HZ3 LYS 6 2HZ LYS 6 -7.781 -9.915 14.697
58 H HIS 7 H HIS 7 -9.268 -11.662 6.402
59 HA HIS 7 HA HIS 7 -8.557 -14.057 5.127
60 HB2 HIS 7 2HB HIS 7 -8.658 -11.199 4.128
61 HB3 HIS 7 3HB HIS 7 -8.340 -12.548 3.043
62 HD1 HIS 7 HD1 HIS 7 -11.047 -10.562 3.728
63 HD2 HIS 7 HD2 HIS 7 -10.573 -14.696 3.977
64 HE1 HIS 7 HE1 HIS 7 -13.372 -11.559 3.605
65 HA PRO 8 HA PRO 8 -4.115 -14.382 5.115
66 HB2 PRO 8 2HB PRO 8 -4.138 -14.399 2.111
67 HB3 PRO 8 3HB PRO 8 -3.418 -15.566 3.234
68 HG2 PRO 8 2HG PRO 8 -5.767 -15.993 1.877
69 HG3 PRO 8 3HG PRO 8 -5.351 -16.779 3.408
70 HD2 PRO 8 2HD PRO 8 -7.399 -14.711 2.914
71 HD3 PRO 8 3HD PRO 8 -7.170 -15.736 4.343
72 H LEU 9 H LEU 9 -2.636 -12.767 5.371
73 HA LEU 9 HA LEU 9 -3.119 -10.091 4.454
74 HB2 LEU 9 2HB LEU 9 -0.586 -11.394 5.502
75 HB3 LEU 9 3HB LEU 9 -0.801 -9.659 5.292
76 HG LEU 9 HG LEU 9 -2.567 -11.392 7.053
77 HD11 LEU 9 1HD1 LEU 9 -0.285 -9.548 7.831
78 HD12 LEU 9 2HD1 LEU 9 -0.240 -11.310 7.885
79 HD13 LEU 9 3HD1 LEU 9 -1.333 -10.423 8.949
80 HD21 LEU 9 3HD2 LEU 9 -3.845 -9.473 6.572
81 HD22 LEU 9 1HD2 LEU 9 -2.433 -8.420 6.478
82 HD23 LEU 9 2HD2 LEU 9 -3.018 -8.985 8.041
83 H GLN 10 H GLN 10 -0.955 -12.664 3.301
84 HA GLN 10 HA GLN 10 0.441 -11.195 1.327
85 HB2 GLN 10 2HB GLN 10 0.855 -13.594 2.091
86 HB3 GLN 10 3HB GLN 10 -0.479 -14.080 1.049
87 HG2 GLN 10 2HG GLN 10 1.918 -12.520 0.031
88 HG3 GLN 10 3HG GLN 10 1.854 -14.275 0.026
89 HE21 GLN 10 1HE2 GLN 10 1.952 -12.586 -2.392
90 HE22 GLN 10 2HE2 GLN 10 0.520 -12.887 -3.252
91 H ASP 11 H ASP 11 -2.615 -13.027 1.018
92 HA ASP 11 HA ASP 11 -3.057 -12.289 -1.726
93 HB2 ASP 11 2HB ASP 11 -4.191 -14.207 -0.611
94 HB3 ASP 11 3HB ASP 11 -5.097 -13.063 0.381
95 H MET 12 H MET 12 -3.906 -10.798 1.370
96 HA MET 12 HA MET 12 -5.774 -8.883 0.380
97 HB2 MET 12 2HB MET 12 -5.356 -9.458 2.795
98 HB3 MET 12 3HB MET 12 -3.853 -8.543 2.702
99 HG2 MET 12 2HG MET 12 -5.100 -6.514 2.104
100 HG3 MET 12 3HG MET 12 -6.613 -7.423 2.137
101 HE1 MET 12 3HE MET 12 -7.455 -5.660 5.279
102 HE2 MET 12 1HE MET 12 -8.142 -7.013 4.371
103 HE3 MET 12 2HE MET 12 -7.472 -5.625 3.520
104 H PHE 13 H PHE 13 -2.259 -8.504 1.033
105 HA PHE 13 HA PHE 13 -2.161 -5.855 -0.119
106 HB2 PHE 13 2HB PHE 13 0.017 -7.890 0.457
107 HB3 PHE 13 3HB PHE 13 0.341 -6.260 -0.127
108 HD1 PHE 13 HD1 PHE 13 -0.820 -4.310 1.191
109 HD2 PHE 13 HD2 PHE 13 -0.097 -8.223 2.818
110 HE1 PHE 13 HE1 PHE 13 -0.984 -3.390 3.484
111 HE2 PHE 13 HE2 PHE 13 -0.266 -7.300 5.111
112 HZ PHE 13 HZ PHE 13 -0.710 -4.883 5.446
113 H THR 14 H THR 14 -1.409 -9.094 -1.384
114 HA THR 14 HA THR 14 -0.396 -8.247 -3.908
115 HB THR 14 HB THR 14 -1.896 -10.794 -3.212
116 HG1 THR 14 HG1 THR 14 0.787 -9.960 -3.061
117 HG21 THR 14 3HG2 THR 14 -1.834 -10.558 -5.609
118 HG22 THR 14 1HG2 THR 14 -0.564 -11.697 -5.166
119 HG23 THR 14 2HG2 THR 14 -0.150 -10.031 -5.568
120 H SER 15 H SER 15 -3.722 -9.064 -2.900
121 HA SER 15 HA SER 15 -4.924 -8.736 -5.464
122 HB2 SER 15 2HB SER 15 -6.086 -9.765 -3.539
123 HB3 SER 15 3HB SER 15 -6.122 -8.205 -2.729
124 HG SER 15 HG SER 15 -7.060 -7.957 -5.225
125 H ALA 16 H ALA 16 -4.434 -6.385 -2.815
126 HA ALA 16 HA ALA 16 -5.683 -4.210 -4.262
127 HB1 ALA 16 3HB ALA 16 -4.681 -2.805 -2.465
128 HB2 ALA 16 1HB ALA 16 -3.815 -4.228 -1.881
129 HB3 ALA 16 2HB ALA 16 -5.577 -4.187 -1.830
130 H ILE 17 H ILE 17 -2.267 -5.084 -3.643
131 HA ILE 17 HA ILE 17 -1.144 -2.840 -5.010
132 HB ILE 17 HB ILE 17 -0.082 -5.637 -4.498
133 HG12 ILE 17 2HG1 ILE 17 0.643 -3.005 -3.160
134 HG13 ILE 17 3HG1 ILE 17 -0.621 -4.068 -2.543
135 HG21 ILE 17 1HG2 ILE 17 1.220 -4.809 -6.340
136 HG22 ILE 17 2HG2 ILE 17 2.190 -4.524 -4.902
137 HG23 ILE 17 3HG2 ILE 17 1.306 -3.194 -5.642
138 HD11 ILE 17 3HD1 ILE 17 1.041 -5.916 -2.394
139 HD12 ILE 17 1HD1 ILE 17 1.485 -4.538 -1.386
140 HD13 ILE 17 2HD1 ILE 17 2.298 -4.801 -2.928
141 H GLU 18 H GLU 18 -1.902 -6.129 -6.170
142 HA GLU 18 HA GLU 18 -0.981 -5.635 -8.858
143 HB2 GLU 18 2HB GLU 18 -2.925 -7.690 -7.759
144 HB3 GLU 18 3HB GLU 18 -2.273 -7.711 -9.398
145 HG2 GLU 18 2HG GLU 18 -0.557 -7.751 -6.897
146 HG3 GLU 18 3HG GLU 18 -1.024 -9.196 -7.790
147 H ALA 19 H ALA 19 -4.071 -5.182 -7.220
148 HA ALA 19 HA ALA 19 -5.658 -4.803 -9.575
149 HB1 ALA 19 3HB ALA 19 -7.224 -3.614 -8.036
150 HB2 ALA 19 1HB ALA 19 -5.999 -3.705 -6.771
151 HB3 ALA 19 2HB ALA 19 -6.713 -5.183 -7.417
152 H VAL 20 H VAL 20 -3.776 -2.521 -7.584
153 HA VAL 20 HA VAL 20 -4.457 -0.303 -9.481
154 HB VAL 20 HB VAL 20 -3.627 1.204 -7.805
155 HG11 VAL 20 1HG1 VAL 20 -5.166 -1.005 -6.410
156 HG12 VAL 20 2HG1 VAL 20 -5.890 0.212 -7.462
157 HG13 VAL 20 3HG1 VAL 20 -5.122 0.699 -5.951
158 HG21 VAL 20 3HG2 VAL 20 -2.560 -1.300 -6.466
159 HG22 VAL 20 1HG2 VAL 20 -2.727 0.231 -5.607
160 HG23 VAL 20 2HG2 VAL 20 -1.652 0.112 -6.997
161 H ALA 21 H ALA 21 -2.249 -2.697 -9.447
162 HA ALA 21 HA ALA 21 0.237 -1.286 -9.733
163 HB1 ALA 21 3HB ALA 21 0.367 -3.639 -9.316
164 HB2 ALA 21 1HB ALA 21 0.916 -3.437 -10.977
165 HB3 ALA 21 2HB ALA 21 -0.720 -4.010 -10.653
166 H ARG 22 H ARG 22 -2.416 -0.762 -11.505
167 HA ARG 22 HA ARG 22 -1.590 -1.093 -14.216
168 HB2 ARG 22 2HB ARG 22 -3.525 0.862 -12.918
169 HB3 ARG 22 3HB ARG 22 -3.272 0.788 -14.665
170 HG2 ARG 22 2HG ARG 22 -3.926 -1.564 -14.707
171 HG3 ARG 22 3HG ARG 22 -4.074 -1.579 -12.950
172 HD2 ARG 22 2HD ARG 22 -6.233 -1.240 -14.502
173 HD3 ARG 22 3HD ARG 22 -6.091 -0.396 -12.967
174 HE ARG 22 HE ARG 22 -4.989 1.438 -14.611
175 HH11 ARG 22 1HH2 ARG 22 -7.747 -0.596 -15.239
176 HH12 ARG 22 2HH2 ARG 22 -8.699 0.701 -15.874
177 HH21 ARG 22 1HH1 ARG 22 -6.285 3.122 -15.379
178 HH22 ARG 22 2HH1 ARG 22 -7.886 2.781 -15.945
179 H ASP 23 H ASP 23 -1.092 1.589 -11.937
180 HA ASP 23 HA ASP 23 0.239 3.262 -13.910
181 HB2 ASP 23 2HB ASP 23 0.888 4.633 -11.964
182 HB3 ASP 23 3HB ASP 23 -0.829 4.236 -11.923
183 H SER 24 H SER 24 2.239 2.916 -14.676
184 HA SER 24 HA SER 24 4.385 1.989 -14.906
185 HB2 SER 24 2HB SER 24 5.875 2.491 -13.027
186 HB3 SER 24 3HB SER 24 4.779 3.839 -13.305
187 HG SER 24 HG SER 24 4.540 3.524 -11.197
188 H GLY 25 H GLY 25 4.338 1.009 -11.537
189 HA2 GLY 25 2HA GLY 25 3.549 -1.756 -12.115
190 HA3 GLY 25 3HA GLY 25 5.274 -1.553 -11.782
191 H TRP 26 H TRP 26 5.548 0.086 -9.782
192 HA TRP 26 HA TRP 26 4.746 -1.285 -7.453
193 HB2 TRP 26 2HB TRP 26 5.463 1.644 -7.791
194 HB3 TRP 26 3HB TRP 26 5.378 0.803 -6.244
195 HD1 TRP 26 HD1 TRP 26 7.379 0.863 -9.512
196 HE1 TRP 26 HE1 TRP 26 9.667 -0.246 -9.088
197 HE3 TRP 26 HE3 TRP 26 6.680 -0.806 -4.738
198 HZ2 TRP 26 HZ2 TRP 26 11.023 -1.650 -7.002
199 HZ3 TRP 26 HZ3 TRP 26 8.488 -2.023 -3.555
200 HH2 TRP 26 HH2 TRP 26 10.655 -2.444 -4.681
201 H ALA 27 H ALA 27 3.497 0.146 -5.642
202 HA ALA 27 HA ALA 27 0.964 1.263 -6.784
203 HB1 ALA 27 3HB ALA 27 1.201 -0.977 -4.752
204 HB2 ALA 27 1HB ALA 27 0.445 -1.064 -6.342
205 HB3 ALA 27 2HB ALA 27 -0.292 -0.096 -5.066
206 H GLU 28 H GLU 28 0.267 3.017 -5.645
207 HA GLU 28 HA GLU 28 1.930 4.107 -3.542
208 HB2 GLU 28 2HB GLU 28 -0.796 4.928 -4.586
209 HB3 GLU 28 3HB GLU 28 0.138 5.861 -3.420
210 HG2 GLU 28 2HG GLU 28 0.610 6.805 -5.582
211 HG3 GLU 28 3HG GLU 28 2.041 5.893 -5.109
212 H LEU 29 H LEU 29 1.686 3.948 -1.354
213 HA LEU 29 HA LEU 29 0.164 1.912 -0.167
214 HB2 LEU 29 2HB LEU 29 2.083 3.025 0.925
215 HB3 LEU 29 3HB LEU 29 1.140 4.501 1.089
216 HG LEU 29 HG LEU 29 -0.481 3.277 2.541
217 HD11 LEU 29 1HD1 LEU 29 0.474 1.032 3.480
218 HD12 LEU 29 2HD1 LEU 29 1.417 0.985 1.992
219 HD13 LEU 29 3HD1 LEU 29 -0.344 1.001 1.925
220 HD21 LEU 29 3HD2 LEU 29 1.437 4.538 3.487
221 HD22 LEU 29 1HD2 LEU 29 2.405 3.064 3.448
222 HD23 LEU 29 2HD2 LEU 29 0.990 3.162 4.494
223 H SER 30 H SER 30 -0.652 5.358 -0.598
224 HA SER 30 HA SER 30 -3.086 5.342 0.879
225 HB2 SER 30 2HB SER 30 -2.007 7.407 0.022
226 HB3 SER 30 3HB SER 30 -2.403 6.920 -1.623
227 HG SER 30 HG SER 30 -4.602 6.994 -1.032
228 H ALA 31 H ALA 31 -2.426 4.601 -2.546
229 HA ALA 31 HA ALA 31 -5.142 4.107 -3.290
230 HB1 ALA 31 3HB ALA 31 -4.158 2.828 -5.185
231 HB2 ALA 31 1HB ALA 31 -2.577 2.937 -4.412
232 HB3 ALA 31 2HB ALA 31 -3.388 4.399 -4.973
233 H VAL 32 H VAL 32 -2.646 2.006 -1.881
234 HA VAL 32 HA VAL 32 -4.045 -0.463 -2.178
235 HB VAL 32 HB VAL 32 -2.056 0.464 -0.077
236 HG11 VAL 32 1HG1 VAL 32 -3.210 -1.413 0.890
237 HG12 VAL 32 2HG1 VAL 32 -1.694 -2.040 0.249
238 HG13 VAL 32 3HG1 VAL 32 -3.196 -2.287 -0.639
239 HG21 VAL 32 3HG2 VAL 32 -1.709 -1.308 -2.515
240 HG22 VAL 32 1HG2 VAL 32 -0.433 -0.746 -1.434
241 HG23 VAL 32 2HG2 VAL 32 -1.290 0.404 -2.461
242 H GLY 33 H GLY 33 -3.982 1.842 0.565
243 HA2 GLY 33 2HA GLY 33 -5.870 0.392 2.154
244 HA3 GLY 33 3HA GLY 33 -5.494 2.101 2.351
245 H SER 34 H SER 34 -6.334 3.110 -0.141
246 HA SER 34 HA SER 34 -9.155 3.356 0.251
247 HB2 SER 34 2HB SER 34 -8.141 5.118 -0.968
248 HB3 SER 34 3HB SER 34 -7.330 4.010 -2.069
249 HG SER 34 HG SER 34 -9.904 3.516 -2.239
250 H TYR 35 H TYR 35 -7.286 1.398 -2.064
251 HA TYR 35 HA TYR 35 -9.479 0.325 -3.500
252 HB2 TYR 35 2HB TYR 35 -7.163 0.004 -4.228
253 HB3 TYR 35 3HB TYR 35 -6.825 -0.970 -2.796
254 HD1 TYR 35 HD1 TYR 35 -8.621 -0.858 -6.027
255 HD2 TYR 35 HD2 TYR 35 -7.651 -3.261 -2.600
256 HE1 TYR 35 HE1 TYR 35 -9.437 -2.877 -7.208
257 HE2 TYR 35 HE2 TYR 35 -8.461 -5.284 -3.786
258 HH TYR 35 HH TYR 35 -8.688 -5.829 -6.529
259 H LEU 36 H LEU 36 -7.917 -0.844 -0.518
260 HA LEU 36 HA LEU 36 -9.545 -3.184 -0.227
261 HB2 LEU 36 2HB LEU 36 -8.113 -1.480 1.831
262 HB3 LEU 36 3HB LEU 36 -8.863 -3.029 2.200
263 HG LEU 36 HG LEU 36 -6.728 -2.673 0.068
264 HD11 LEU 36 1HD1 LEU 36 -5.740 -2.104 2.202
265 HD12 LEU 36 2HD1 LEU 36 -5.197 -3.721 1.759
266 HD13 LEU 36 3HD1 LEU 36 -6.464 -3.515 2.969
267 HD21 LEU 36 3HD2 LEU 36 -7.816 -4.709 -0.414
268 HD22 LEU 36 1HD2 LEU 36 -8.141 -5.065 1.281
269 HD23 LEU 36 2HD2 LEU 36 -6.514 -5.242 0.633
270 H ALA 37 H ALA 37 -9.963 0.171 0.894
271 HA ALA 37 HA ALA 37 -12.299 -0.280 2.462
272 HB1 ALA 37 3HB ALA 37 -11.614 2.171 0.809
273 HB2 ALA 37 1HB ALA 37 -11.008 1.853 2.435
274 HB3 ALA 37 2HB ALA 37 -12.733 2.112 2.171
275 H LYS 38 H LYS 38 -11.936 0.515 -1.003
276 HA LYS 38 HA LYS 38 -14.708 0.642 -1.621
277 HB2 LYS 38 2HB LYS 38 -12.344 -0.202 -3.324
278 HB3 LYS 38 3HB LYS 38 -13.957 0.112 -3.961
279 HG2 LYS 38 2HG LYS 38 -13.865 2.416 -3.132
280 HG3 LYS 38 3HG LYS 38 -12.278 2.114 -2.425
281 HD2 LYS 38 2HD LYS 38 -11.391 1.591 -4.687
282 HD3 LYS 38 3HD LYS 38 -12.969 1.977 -5.374
283 HE2 LYS 38 2HE LYS 38 -11.244 3.890 -3.780
284 HE3 LYS 38 3HE LYS 38 -11.420 3.902 -5.533
285 HZ1 LYS 38 3HZ LYS 38 -13.424 4.547 -3.467
286 HZ2 LYS 38 1HZ LYS 38 -13.911 4.066 -5.020
287 HZ3 LYS 38 2HZ LYS 38 -12.957 5.458 -4.823
288 H ASN 39 H ASN 39 -12.446 -2.112 -1.624
289 HA ASN 39 HA ASN 39 -14.567 -4.004 -2.406
290 HB2 ASN 39 2HB ASN 39 -11.689 -4.392 -1.517
291 HB3 ASN 39 3HB ASN 39 -12.758 -5.708 -2.008
292 HD21 ASN 39 1HD2 ASN 39 -10.555 -3.366 -3.188
293 HD22 ASN 39 2HD2 ASN 39 -10.922 -3.513 -4.838
294 H ASP 40 H ASP 40 -13.679 -2.438 0.406
295 HA ASP 40 HA ASP 40 -15.309 -4.264 2.057
296 HB2 ASP 40 2HB ASP 40 -12.474 -3.574 2.896
297 HB3 ASP 40 3HB ASP 40 -13.615 -4.614 3.750
298 HA PRO 41 HA PRO 41 -15.778 0.381 2.693
299 HB2 PRO 41 2HB PRO 41 -18.560 -0.665 3.215
300 HB3 PRO 41 3HB PRO 41 -18.054 0.783 2.316
301 HG2 PRO 41 2HG PRO 41 -18.882 -1.388 1.017
302 HG3 PRO 41 3HG PRO 41 -17.515 -0.436 0.403
303 HD2 PRO 41 2HD PRO 41 -17.462 -3.079 1.852
304 HD3 PRO 41 3HD PRO 41 -16.425 -2.506 0.525
305 H SER 42 H SER 42 -16.927 -2.416 4.522
306 HA SER 42 HA SER 42 -17.316 -1.067 7.027
307 HB2 SER 42 2HB SER 42 -17.254 -3.339 7.994
308 HB3 SER 42 3HB SER 42 -18.249 -3.304 6.543
309 HG SER 42 HG SER 42 -16.922 -4.683 5.692
310 H PHE 43 H PHE 43 -14.498 -1.770 5.277
311 HA PHE 43 HA PHE 43 -12.754 -2.023 7.663
312 HB2 PHE 43 2HB PHE 43 -12.472 -3.168 5.281
313 HB3 PHE 43 3HB PHE 43 -11.690 -1.652 4.850
314 HD1 PHE 43 HD2 PHE 43 -11.722 -4.223 7.581
315 HD2 PHE 43 HD1 PHE 43 -9.349 -1.447 5.313
316 HE1 PHE 43 HE2 PHE 43 -9.679 -5.010 8.745
317 HE2 PHE 43 HE1 PHE 43 -7.315 -2.230 6.485
318 HZ PHE 43 HZ PHE 43 -7.478 -4.016 8.196
319 H ASP 44 H ASP 44 -11.242 -0.468 8.250
320 HA ASP 44 HA ASP 44 -11.535 2.291 7.062
321 HB2 ASP 44 2HB ASP 44 -11.294 3.180 9.371
322 HB3 ASP 44 3HB ASP 44 -12.765 2.226 9.169
323 HA PRO 45 HA PRO 45 -7.084 1.076 7.421
324 HB2 PRO 45 2HB PRO 45 -6.336 1.602 4.815
325 HB3 PRO 45 3HB PRO 45 -6.981 0.038 5.347
326 HG2 PRO 45 2HG PRO 45 -8.304 2.178 3.776
327 HG3 PRO 45 3HG PRO 45 -8.630 0.437 3.803
328 HD2 PRO 45 2HD PRO 45 -10.140 2.458 5.146
329 HD3 PRO 45 3HD PRO 45 -10.311 0.708 5.375
330 H ARG 46 H ARG 46 -8.696 3.855 6.066
331 HA ARG 46 HA ARG 46 -6.434 5.629 6.056
332 HB2 ARG 46 2HB ARG 46 -9.394 6.239 6.372
333 HB3 ARG 46 3HB ARG 46 -8.155 7.450 6.045
334 HG2 ARG 46 2HG ARG 46 -8.524 5.052 4.215
335 HG3 ARG 46 3HG ARG 46 -9.477 6.516 4.009
336 HD2 ARG 46 2HD ARG 46 -7.536 7.849 3.593
337 HD3 ARG 46 3HD ARG 46 -6.447 6.578 4.101
338 HE ARG 46 HE ARG 46 -7.723 5.396 1.996
339 HH11 ARG 46 1HH2 ARG 46 -6.351 8.545 2.406
340 HH12 ARG 46 2HH2 ARG 46 -5.624 8.570 0.836
341 HH21 ARG 46 1HH1 ARG 46 -6.697 5.399 -0.012
342 HH22 ARG 46 2HH1 ARG 46 -5.818 6.798 -0.525
343 H ASN 47 H ASN 47 -8.931 5.003 8.499
344 HA ASN 47 HA ASN 47 -8.205 6.838 10.445
345 HB2 ASN 47 2HB ASN 47 -10.093 5.354 10.755
346 HB3 ASN 47 3HB ASN 47 -9.037 3.949 10.813
347 HD21 ASN 47 1HD2 ASN 47 -8.971 3.231 12.946
348 HD22 ASN 47 2HD2 ASN 47 -8.804 4.231 14.306
349 H TRP 48 H TRP 48 -6.430 3.915 9.536
350 HA TRP 48 HA TRP 48 -4.186 4.799 11.330
351 HB2 TRP 48 2HB TRP 48 -3.743 2.466 11.930
352 HB3 TRP 48 3HB TRP 48 -5.349 2.941 12.462
353 HD1 TRP 48 HD1 TRP 48 -7.358 2.273 10.595
354 HE1 TRP 48 HE1 TRP 48 -7.611 0.047 9.318
355 HE3 TRP 48 HE3 TRP 48 -2.598 0.485 11.001
356 HZ2 TRP 48 HZ2 TRP 48 -5.996 -2.192 8.572
357 HZ3 TRP 48 HZ3 TRP 48 -1.982 -1.697 10.005
358 HH2 TRP 48 HH2 TRP 48 -3.677 -3.041 8.794
359 H GLY 49 H GLY 49 -4.818 4.930 8.373
360 HA2 GLY 49 2HA GLY 49 -2.830 3.106 7.169
361 HA3 GLY 49 3HA GLY 49 -3.831 4.274 6.309
362 H HIS 50 H HIS 50 -2.776 6.192 8.621
363 HA HIS 50 HA HIS 50 -0.786 7.466 6.980
364 HB2 HIS 50 2HB HIS 50 -1.509 7.821 9.907
365 HB3 HIS 50 3HB HIS 50 -0.383 8.868 9.042
366 HD1 HIS 50 HD1 HIS 50 -1.377 10.303 7.055
367 HD2 HIS 50 HD2 HIS 50 -4.227 8.299 9.345
368 HE1 HIS 50 HE1 HIS 50 -3.618 11.324 6.463
369 H GLY 51 H GLY 51 -0.596 5.368 9.824
370 HA2 GLY 51 2HA GLY 51 2.272 4.783 9.177
371 HA3 GLY 51 3HA GLY 51 1.842 5.253 10.825
372 H ARG 52 H ARG 52 2.385 3.228 11.715
373 HA ARG 52 HA ARG 52 2.107 0.954 12.286
374 HB2 ARG 52 2HB ARG 52 -0.723 1.804 11.639
375 HB3 ARG 52 3HB ARG 52 -0.331 0.249 12.364
376 HG2 ARG 52 2HG ARG 52 0.722 1.426 14.281
377 HG3 ARG 52 3HG ARG 52 0.273 2.975 13.563
378 HD2 ARG 52 2HD ARG 52 -2.092 2.312 13.572
379 HD3 ARG 52 3HD ARG 52 -1.684 0.768 14.289
380 HE ARG 52 HE ARG 52 -2.053 3.266 15.682
381 HH11 ARG 52 1HH2 ARG 52 0.112 0.586 15.704
382 HH12 ARG 52 2HH2 ARG 52 0.020 0.369 17.415
383 HH21 ARG 52 1HH1 ARG 52 -2.267 2.916 17.894
384 HH22 ARG 52 2HH1 ARG 52 -1.337 1.665 18.651
385 H LEU 53 H LEU 53 -0.396 1.157 9.734
386 HA LEU 53 HA LEU 53 0.060 -1.343 8.540
387 HB2 LEU 53 2HB LEU 53 -1.866 0.133 8.004
388 HB3 LEU 53 3HB LEU 53 -0.781 1.262 7.211
389 HG LEU 53 HG LEU 53 -0.191 -0.510 5.549
390 HD11 LEU 53 1HD1 LEU 53 -2.155 -2.107 7.201
391 HD12 LEU 53 2HD1 LEU 53 -0.562 -2.581 6.616
392 HD13 LEU 53 3HD1 LEU 53 -1.913 -2.473 5.494
393 HD21 LEU 53 3HD2 LEU 53 -3.167 0.013 5.825
394 HD22 LEU 53 1HD2 LEU 53 -2.319 -0.400 4.335
395 HD23 LEU 53 2HD2 LEU 53 -2.000 1.138 5.133
396 H SER 54 H SER 54 1.597 1.790 7.865
397 HA SER 54 HA SER 54 3.217 0.886 5.674
398 HB2 SER 54 2HB SER 54 4.578 2.901 6.160
399 HB3 SER 54 3HB SER 54 2.855 3.271 6.155
400 HG SER 54 HG SER 54 2.928 2.997 8.460
401 H GLN 55 H GLN 55 3.549 0.670 9.164
402 HA GLN 55 HA GLN 55 6.357 -0.246 9.027
403 HB2 GLN 55 2HB GLN 55 4.400 -0.168 11.350
404 HB3 GLN 55 3HB GLN 55 6.125 -0.507 11.470
405 HG2 GLN 55 2HG GLN 55 4.971 2.066 10.354
406 HG3 GLN 55 3HG GLN 55 5.543 1.872 12.011
407 HE21 GLN 55 1HE2 GLN 55 6.559 3.247 9.270
408 HE22 GLN 55 2HE2 GLN 55 8.225 2.920 9.335
409 H MET 56 H MET 56 3.133 -1.631 9.260
410 HA MET 56 HA MET 56 3.906 -4.254 10.131
411 HB2 MET 56 2HB MET 56 1.544 -3.264 8.507
412 HB3 MET 56 3HB MET 56 1.724 -4.957 8.967
413 HG2 MET 56 2HG MET 56 1.831 -4.286 11.350
414 HG3 MET 56 3HG MET 56 1.601 -2.603 10.876
415 HE1 MET 56 3HE MET 56 -1.835 -3.093 12.333
416 HE2 MET 56 1HE MET 56 -0.333 -2.163 12.250
417 HE3 MET 56 2HE MET 56 -0.340 -3.768 12.974
418 H VAL 57 H VAL 57 3.612 -2.821 6.886
419 HA VAL 57 HA VAL 57 4.173 -5.212 5.431
420 HB VAL 57 HB VAL 57 4.977 -3.571 3.622
421 HG11 VAL 57 1HG1 VAL 57 2.263 -3.203 4.926
422 HG12 VAL 57 2HG1 VAL 57 2.676 -4.353 3.655
423 HG13 VAL 57 3HG1 VAL 57 2.671 -2.624 3.312
424 HG21 VAL 57 3HG2 VAL 57 5.692 -1.790 5.241
425 HG22 VAL 57 1HG2 VAL 57 4.002 -1.539 5.652
426 HG23 VAL 57 2HG2 VAL 57 4.571 -1.202 4.024
427 H LYS 58 H LYS 58 6.319 -2.738 6.801
428 HA LYS 58 HA LYS 58 8.750 -3.889 5.784
429 HB2 LYS 58 2HB LYS 58 8.518 -1.543 6.656
430 HB3 LYS 58 3HB LYS 58 8.388 -2.206 8.283
431 HG2 LYS 58 2HG LYS 58 10.604 -3.213 8.092
432 HG3 LYS 58 3HG LYS 58 10.736 -2.671 6.418
433 HD2 LYS 58 2HD LYS 58 10.586 -0.319 7.171
434 HD3 LYS 58 3HD LYS 58 10.479 -0.867 8.844
435 HE2 LYS 58 2HE LYS 58 12.788 -0.225 8.310
436 HE3 LYS 58 3HE LYS 58 12.693 -1.961 8.613
437 HZ1 LYS 58 3HZ LYS 58 13.964 -1.194 6.565
438 HZ2 LYS 58 1HZ LYS 58 12.449 -0.848 5.884
439 HZ3 LYS 58 2HZ LYS 58 12.826 -2.438 6.350
440 H LYS 59 H LYS 59 6.781 -4.487 8.655
441 HA LYS 59 HA LYS 59 8.832 -6.262 9.850
442 HB2 LYS 59 2HB LYS 59 6.025 -5.498 10.715
443 HB3 LYS 59 3HB LYS 59 7.104 -6.548 11.638
444 HG2 LYS 59 2HG LYS 59 8.769 -4.752 11.789
445 HG3 LYS 59 3HG LYS 59 7.746 -3.698 10.814
446 HD2 LYS 59 2HD LYS 59 5.986 -3.803 12.548
447 HD3 LYS 59 3HD LYS 59 7.020 -4.844 13.528
448 HE2 LYS 59 2HE LYS 59 8.721 -3.065 13.637
449 HE3 LYS 59 3HE LYS 59 7.703 -2.025 12.643
450 HZ1 LYS 59 3HZ LYS 59 6.121 -1.843 14.318
451 HZ2 LYS 59 1HZ LYS 59 7.592 -1.733 15.153
452 HZ3 LYS 59 2HZ LYS 59 6.712 -3.188 15.172
453 H LEU 60 H LEU 60 6.546 -6.609 7.445
454 HA LEU 60 HA LEU 60 5.714 -9.357 8.181
455 HB2 LEU 60 2HB LEU 60 4.998 -7.392 6.021
456 HB3 LEU 60 3HB LEU 60 4.722 -9.097 5.677
457 HG LEU 60 HG LEU 60 3.714 -7.926 8.291
458 HD11 LEU 60 1HD1 LEU 60 1.470 -7.621 6.999
459 HD12 LEU 60 2HD1 LEU 60 2.483 -7.542 5.555
460 HD13 LEU 60 3HD1 LEU 60 2.696 -6.369 6.853
461 HD21 LEU 60 3HD2 LEU 60 2.553 -10.062 6.465
462 HD22 LEU 60 1HD2 LEU 60 2.103 -9.730 8.136
463 HD23 LEU 60 2HD2 LEU 60 3.681 -10.416 7.769
464 H ASP 61 H ASP 61 8.496 -8.127 7.148
465 HA ASP 61 HA ASP 61 10.352 -8.977 6.018
466 HB2 ASP 61 2HB ASP 61 9.903 -10.866 7.576
467 HB3 ASP 61 3HB ASP 61 8.909 -11.625 6.336
468 H PHE 62 H PHE 62 7.941 -11.277 4.685
469 HA PHE 62 HA PHE 62 9.031 -11.036 2.049
470 HB2 PHE 62 2HB PHE 62 7.153 -12.394 1.315
471 HB3 PHE 62 3HB PHE 62 7.768 -13.014 2.842
472 HD1 PHE 62 HD2 PHE 62 6.539 -12.596 4.965
473 HD2 PHE 62 HD1 PHE 62 4.918 -11.442 1.155
474 HE1 PHE 62 HE2 PHE 62 4.296 -12.332 5.993
475 HE2 PHE 62 HE1 PHE 62 2.684 -11.177 2.183
476 HZ PHE 62 HZ PHE 62 2.367 -11.623 4.602
477 H LEU 63 H LEU 63 8.107 -8.426 3.241
478 HA LEU 63 HA LEU 63 6.391 -7.520 0.947
479 HB2 LEU 63 2HB LEU 63 5.986 -7.212 3.855
480 HB3 LEU 63 3HB LEU 63 5.979 -5.661 3.037
481 HG LEU 63 HG LEU 63 3.716 -6.625 3.217
482 HD11 LEU 63 1HD1 LEU 63 3.063 -5.794 1.200
483 HD12 LEU 63 2HD1 LEU 63 4.123 -6.853 0.276
484 HD13 LEU 63 3HD1 LEU 63 4.761 -5.382 1.003
485 HD21 LEU 63 3HD2 LEU 63 4.663 -9.062 2.996
486 HD22 LEU 63 1HD2 LEU 63 4.487 -8.806 1.259
487 HD23 LEU 63 2HD2 LEU 63 3.084 -8.703 2.313
488 H THR 64 H THR 64 7.370 -6.051 -0.279
489 HA THR 64 HA THR 64 9.959 -4.892 0.572
490 HB THR 64 HB THR 64 8.431 -4.598 -2.032
491 HG1 THR 64 HG1 THR 64 9.896 -6.625 -0.960
492 HG21 THR 64 3HG2 THR 64 10.088 -2.857 -1.757
493 HG22 THR 64 1HG2 THR 64 10.712 -4.042 -2.903
494 HG23 THR 64 2HG2 THR 64 11.297 -4.034 -1.241
495 H VAL 65 H VAL 65 10.248 -2.677 0.952
496 HA VAL 65 HA VAL 65 7.834 -0.886 0.769
497 HB VAL 65 HB VAL 65 9.835 -1.030 3.051
498 HG11 VAL 65 1HG1 VAL 65 7.417 0.728 2.542
499 HG12 VAL 65 2HG1 VAL 65 9.089 1.253 2.736
500 HG13 VAL 65 3HG1 VAL 65 8.209 0.587 4.111
501 HG21 VAL 65 3HG2 VAL 65 7.916 -1.831 4.361
502 HG22 VAL 65 1HG2 VAL 65 8.216 -2.913 3.003
503 HG23 VAL 65 2HG2 VAL 65 6.889 -1.752 2.931
504 H GLN 66 H GLN 66 8.258 0.995 -0.243
505 HA GLN 66 HA GLN 66 11.022 2.104 -0.290
506 HB2 GLN 66 2HB GLN 66 9.400 1.449 -2.773
507 HB3 GLN 66 3HB GLN 66 10.843 2.462 -2.767
508 HG2 GLN 66 2HG GLN 66 12.122 0.552 -1.772
509 HG3 GLN 66 3HG GLN 66 10.683 -0.452 -1.949
510 HE21 GLN 66 1HE2 GLN 66 10.229 1.335 -4.557
511 HE22 GLN 66 2HE2 GLN 66 11.182 0.524 -5.704
512 H GLU 67 H GLU 67 11.027 4.368 -0.867
513 HA GLU 67 HA GLU 67 8.349 5.714 -0.564
514 HB2 GLU 67 2HB GLU 67 11.134 6.591 0.268
515 HB3 GLU 67 3HB GLU 67 9.702 7.615 0.356
516 HG2 GLU 67 2HG GLU 67 9.996 6.643 2.537
517 HG3 GLU 67 3HG GLU 67 8.621 5.828 1.797
518 H SER 68 H SER 68 7.694 6.783 -2.326
519 HA SER 68 HA SER 68 9.709 7.599 -4.405
520 HB2 SER 68 2HB SER 68 7.844 7.548 -5.976
521 HB3 SER 68 3HB SER 68 7.961 6.000 -5.148
522 HG SER 68 HG SER 68 6.072 6.355 -4.295
523 H ARG 69 H ARG 69 9.525 9.693 -5.282
524 HA ARG 69 HA ARG 69 8.438 11.700 -3.416
525 HB2 ARG 69 2HB ARG 69 9.444 13.290 -5.198
526 HB3 ARG 69 3HB ARG 69 10.555 12.306 -4.264
527 HG2 ARG 69 2HG ARG 69 9.671 10.872 -6.704
528 HG3 ARG 69 3HG ARG 69 10.370 12.426 -7.110
529 HD2 ARG 69 2HD ARG 69 12.367 11.321 -7.053
530 HD3 ARG 69 3HD ARG 69 12.254 11.403 -5.311
531 HE ARG 69 HE ARG 69 11.169 9.064 -6.838
532 HH11 ARG 69 1HH2 ARG 69 12.765 10.241 -3.968
533 HH12 ARG 69 2HH2 ARG 69 13.659 8.776 -3.727
534 HH21 ARG 69 1HH1 ARG 69 12.409 7.171 -6.512
535 HH22 ARG 69 2HH1 ARG 69 13.465 7.079 -5.143
536 H ASN 70 H ASN 70 6.540 12.735 -3.686
537 HA ASN 70 HA ASN 70 5.302 12.992 -6.357
538 HB2 ASN 70 2HB ASN 70 4.056 11.411 -4.090
539 HB3 ASN 70 3HB ASN 70 3.144 11.995 -5.482
540 HD21 ASN 70 1HD2 ASN 70 5.181 9.444 -4.358
541 HD22 ASN 70 2HD2 ASN 70 5.405 8.666 -5.850
542 H GLY 71 H GLY 71 4.887 15.118 -6.371
543 HA2 GLY 71 2HA GLY 71 4.092 17.217 -5.706
544 HA3 GLY 71 3HA GLY 71 3.001 16.342 -4.631
545 H SER 72 H SER 72 3.257 17.684 -2.845
546 HA SER 72 HA SER 72 5.979 18.219 -1.783
547 HB2 SER 72 2HB SER 72 4.862 19.703 -0.237
548 HB3 SER 72 3HB SER 72 4.208 19.998 -1.845
549 HG SER 72 HG SER 72 2.419 18.767 -1.304
550 H LYS 73 H LYS 73 3.886 15.666 -1.622
551 HA LYS 73 HA LYS 73 4.695 14.984 1.211
552 HB2 LYS 73 2HB LYS 73 2.172 14.231 -0.282
553 HB3 LYS 73 3HB LYS 73 2.617 13.634 1.316
554 HG2 LYS 73 2HG LYS 73 2.719 16.037 2.093
555 HG3 LYS 73 3HG LYS 73 2.046 16.509 0.534
556 HD2 LYS 73 2HD LYS 73 0.717 14.558 2.445
557 HD3 LYS 73 3HD LYS 73 0.320 16.269 2.354
558 HE2 LYS 73 2HE LYS 73 -0.137 15.859 -0.161
559 HE3 LYS 73 3HE LYS 73 -0.116 14.144 0.244
560 HZ1 LYS 73 3HZ LYS 73 -2.236 14.425 0.761
561 HZ2 LYS 73 1HZ LYS 73 -2.117 16.117 0.774
562 HZ3 LYS 73 2HZ LYS 73 -1.694 15.226 2.158
563 H LEU 74 H LEU 74 5.715 13.085 1.470
564 HA LEU 74 HA LEU 74 6.569 11.574 -0.879
565 HB2 LEU 74 2HB LEU 74 6.908 11.081 2.099
566 HB3 LEU 74 3HB LEU 74 7.660 10.092 0.852
567 HG LEU 74 HG LEU 74 8.079 13.098 1.023
568 HD11 LEU 74 1HD1 LEU 74 10.251 12.572 2.117
569 HD12 LEU 74 2HD1 LEU 74 9.768 10.878 2.221
570 HD13 LEU 74 3HD1 LEU 74 8.873 12.108 3.115
571 HD21 LEU 74 3HD2 LEU 74 10.244 12.365 -0.219
572 HD22 LEU 74 1HD2 LEU 74 8.744 12.327 -1.131
573 HD23 LEU 74 2HD2 LEU 74 9.422 10.833 -0.493
574 H HIS 75 H HIS 75 5.617 9.755 -1.691
575 HA HIS 75 HA HIS 75 3.218 8.657 -0.251
576 HB2 HIS 75 2HB HIS 75 4.071 8.501 -3.159
577 HB3 HIS 75 3HB HIS 75 2.639 7.722 -2.487
578 HD1 HIS 75 HD1 HIS 75 1.974 9.690 -4.589
579 HD2 HIS 75 HD2 HIS 75 2.563 10.908 -0.644
580 HE1 HIS 75 HE1 HIS 75 0.805 11.923 -4.346
581 H SER 76 H SER 76 3.628 6.829 0.849
582 HA SER 76 HA SER 76 6.005 5.253 0.469
583 HB2 SER 76 2HB SER 76 4.953 5.232 2.639
584 HB3 SER 76 3HB SER 76 3.417 4.721 1.950
585 HG SER 76 HG SER 76 5.843 3.272 2.167
586 H GLU 77 H GLU 77 6.306 3.391 -0.704
587 HA GLU 77 HA GLU 77 3.989 2.293 -2.288
588 HB2 GLU 77 2HB GLU 77 6.851 2.766 -3.183
589 HB3 GLU 77 3HB GLU 77 5.680 1.808 -4.090
590 HG2 GLU 77 2HG GLU 77 4.188 3.762 -4.241
591 HG3 GLU 77 3HG GLU 77 5.346 4.727 -3.330
592 H ILE 78 H ILE 78 3.921 0.067 -2.435
593 HA ILE 78 HA ILE 78 6.098 -1.508 -1.111
594 HB ILE 78 HB ILE 78 4.370 -2.863 0.031
595 HG12 ILE 78 2HG1 ILE 78 2.425 -0.722 -0.909
596 HG13 ILE 78 3HG1 ILE 78 2.504 -2.344 -1.592
597 HG21 ILE 78 1HG2 ILE 78 4.104 0.102 0.613
598 HG22 ILE 78 2HG2 ILE 78 5.454 -0.902 1.141
599 HG23 ILE 78 3HG2 ILE 78 3.830 -1.217 1.748
600 HD11 ILE 78 3HD1 ILE 78 1.855 -1.629 1.277
601 HD12 ILE 78 1HD1 ILE 78 2.095 -3.276 0.695
602 HD13 ILE 78 2HD1 ILE 78 0.754 -2.310 0.081
603 H ARG 79 H ARG 79 6.109 -3.779 -1.736
604 HA ARG 79 HA ARG 79 4.432 -4.531 -4.074
605 HB2 ARG 79 2HB ARG 79 6.508 -3.394 -4.970
606 HB3 ARG 79 3HB ARG 79 7.464 -4.661 -4.207
607 HG2 ARG 79 2HG ARG 79 6.278 -6.372 -5.524
608 HG3 ARG 79 3HG ARG 79 5.290 -5.121 -6.275
609 HD2 ARG 79 2HD ARG 79 7.532 -4.059 -7.040
610 HD3 ARG 79 3HD ARG 79 8.258 -5.609 -6.615
611 HE ARG 79 HE ARG 79 5.928 -5.847 -8.369
612 HH11 ARG 79 1HH2 ARG 79 9.365 -5.541 -8.105
613 HH12 ARG 79 2HH2 ARG 79 9.651 -5.943 -9.765
614 HH21 ARG 79 1HH1 ARG 79 6.297 -6.323 -10.534
615 HH22 ARG 79 2HH1 ARG 79 7.920 -6.378 -11.135
616 H LEU 80 H LEU 80 4.078 -6.724 -4.119
617 HA LEU 80 HA LEU 80 4.630 -8.268 -1.793
618 HB2 LEU 80 2HB LEU 80 2.872 -8.561 -3.786
619 HB3 LEU 80 3HB LEU 80 4.121 -9.579 -4.481
620 HG LEU 80 HG LEU 80 2.607 -10.974 -3.215
621 HD11 LEU 80 1HD1 LEU 80 4.174 -12.116 -1.816
622 HD12 LEU 80 2HD1 LEU 80 5.087 -10.640 -1.511
623 HD13 LEU 80 3HD1 LEU 80 5.117 -11.383 -3.113
624 HD21 LEU 80 3HD2 LEU 80 3.221 -9.744 -0.548
625 HD22 LEU 80 1HD2 LEU 80 1.743 -10.489 -1.138
626 HD23 LEU 80 2HD2 LEU 80 2.119 -8.835 -1.576
627 H ARG 81 H ARG 81 6.715 -8.662 -1.218
628 HA ARG 81 HA ARG 81 8.889 -8.876 -3.069
629 HB2 ARG 81 2HB ARG 81 9.031 -8.293 -0.595
630 HB3 ARG 81 3HB ARG 81 8.825 -10.011 -0.258
631 HG2 ARG 81 2HG ARG 81 10.824 -10.526 -1.603
632 HG3 ARG 81 3HG ARG 81 11.033 -8.812 -1.954
633 HD2 ARG 81 2HD ARG 81 11.402 -8.308 0.382
634 HD3 ARG 81 3HD ARG 81 11.005 -9.963 0.850
635 HE ARG 81 HE ARG 81 13.149 -10.071 -1.013
636 HH11 ARG 81 1HH2 ARG 81 12.434 -8.913 2.165
637 HH12 ARG 81 2HH2 ARG 81 14.032 -9.208 2.766
638 HH21 ARG 81 1HH1 ARG 81 15.208 -10.479 -0.237
639 HH22 ARG 81 2HH1 ARG 81 15.602 -10.097 1.405
640 H HIS 82 H HIS 82 9.871 -10.671 -3.986
641 HA HIS 82 HA HIS 82 8.265 -13.097 -4.221
642 HB2 HIS 82 2HB HIS 82 11.083 -12.526 -5.202
643 HB3 HIS 82 3HB HIS 82 10.053 -13.863 -5.718
644 HD1 HIS 82 HD1 HIS 82 10.426 -10.126 -6.006
645 HD2 HIS 82 HD2 HIS 82 8.002 -13.152 -7.541
646 HE1 HIS 82 HE1 HIS 82 9.080 -9.085 -7.884
647 H ASP 83 H ASP 83 9.905 -12.111 -1.677
648 HA ASP 83 HA ASP 83 11.007 -13.143 0.105
649 HB2 ASP 83 2HB ASP 83 8.954 -14.595 -0.080
650 HB3 ASP 83 3HB ASP 83 9.891 -15.706 -1.074
651 H GLY 84 H GLY 84 12.516 -12.737 -2.333
652 HA2 GLY 84 2HA GLY 84 14.120 -15.116 -2.854
653 HA3 GLY 84 3HA GLY 84 14.471 -13.484 -3.423
654 H LEU 85 H LEU 85 13.952 -14.255 -0.017
655 HA LEU 85 HA LEU 85 16.667 -13.215 0.591
656 HB2 LEU 85 2HB LEU 85 14.406 -12.682 1.840
657 HB3 LEU 85 3HB LEU 85 14.672 -14.219 2.651
658 HG LEU 85 HG LEU 85 16.570 -11.845 2.619
659 HD11 LEU 85 1HD1 LEU 85 14.534 -11.634 4.051
660 HD12 LEU 85 2HD1 LEU 85 16.029 -11.665 4.984
661 HD13 LEU 85 3HD1 LEU 85 15.016 -13.105 4.898
662 HD21 LEU 85 3HD2 LEU 85 17.974 -13.768 2.714
663 HD22 LEU 85 1HD2 LEU 85 16.848 -14.645 3.752
664 HD23 LEU 85 2HD2 LEU 85 17.777 -13.290 4.394
665 H GLU 86 H GLU 86 18.306 -14.682 0.573
666 HA GLU 86 HA GLU 86 19.466 -16.711 0.745
667 HB2 GLU 86 2HB GLU 86 19.000 -16.199 3.153
668 HB3 GLU 86 3HB GLU 86 17.538 -17.180 3.038
669 HG2 GLU 86 2HG GLU 86 18.850 -19.156 2.477
670 HG3 GLU 86 3HG GLU 86 20.331 -18.201 2.426
671 H HIS 87 H HIS 87 18.899 -17.820 -1.129
672 HA HIS 87 HA HIS 87 16.350 -19.164 -1.463
673 HB2 HIS 87 2HB HIS 87 17.501 -20.234 -3.426
674 HB3 HIS 87 3HB HIS 87 17.601 -18.473 -3.427
675 HD1 HIS 87 HD1 HIS 87 19.689 -21.542 -2.670
676 HD2 HIS 87 HD2 HIS 87 20.201 -17.439 -3.207
677 HE1 HIS 87 HE1 HIS 87 22.189 -21.134 -2.741
678 H HIS 88 H HIS 88 15.835 -21.299 -1.026
679 HA HIS 88 HA HIS 88 17.513 -22.747 0.859
680 HB2 HIS 88 2HB HIS 88 15.016 -23.599 -0.645
681 HB3 HIS 88 3HB HIS 88 15.758 -24.498 0.680
682 HD1 HIS 88 HD1 HIS 88 15.871 -23.189 3.040
683 HD2 HIS 88 HD2 HIS 88 13.324 -21.544 0.177
684 HE1 HIS 88 HE1 HIS 88 14.338 -21.594 4.274
685 H HIS 89 H HIS 89 18.798 -24.555 0.447
686 HA HIS 89 HA HIS 89 19.785 -24.881 -2.267
687 HB2 HIS 89 2HB HIS 89 20.294 -26.464 0.273
688 HB3 HIS 89 3HB HIS 89 21.164 -26.708 -1.242
689 HD1 HIS 89 HD1 HIS 89 20.715 -24.219 1.546
690 HD2 HIS 89 HD2 HIS 89 23.050 -24.685 -1.875
691 HE1 HIS 89 HE1 HIS 89 22.500 -22.429 1.651
692 H HIS 90 H HIS 90 19.363 -26.537 -3.710
693 HA HIS 90 HA HIS 90 16.851 -27.957 -3.423
694 HB2 HIS 90 2HB HIS 90 19.075 -28.218 -5.472
695 HB3 HIS 90 3HB HIS 90 17.493 -28.989 -5.601
696 HD1 HIS 90 HD1 HIS 90 15.394 -27.340 -5.757
697 HD2 HIS 90 HD2 HIS 90 19.118 -25.524 -6.231
698 HE1 HIS 90 HE1 HIS 90 14.955 -25.053 -6.750
699 H HIS 91 H HIS 91 16.507 -30.071 -2.850
700 HA HIS 91 HA HIS 91 16.953 -32.107 -1.765
701 HB2 HIS 91 2HB HIS 91 19.244 -32.027 -3.750
702 HB3 HIS 91 3HB HIS 91 18.701 -33.466 -2.886
703 HD1 HIS 91 HD1 HIS 91 16.024 -34.023 -3.273
704 HD2 HIS 91 HD2 HIS 91 17.890 -31.624 -6.128
705 HE1 HIS 91 HE1 HIS 91 14.550 -34.080 -5.330
706 H HIS 92 H HIS 92 17.538 -30.789 0.209
707 HA HIS 92 HA HIS 92 18.965 -30.314 2.010
708 HB2 HIS 92 2HB HIS 92 19.071 -32.826 1.907
709 HB3 HIS 92 3HB HIS 92 20.521 -32.678 0.914
710 HD1 HIS 92 HD1 HIS 92 22.706 -32.015 2.082
711 HD2 HIS 92 HD2 HIS 92 19.414 -31.969 4.641
712 HE1 HIS 92 HE1 HIS 92 23.624 -31.745 4.428
Start of MODEL 12
1 H1 MET 1 1H MET 1 3.851 -15.883 15.416
2 H2 MET 1 2H MET 1 2.238 -16.002 15.938
3 H3 MET 1 3H MET 1 3.246 -14.784 16.559
4 HA MET 1 HA MET 1 2.298 -13.478 15.027
5 HB2 MET 1 2HB MET 1 4.084 -15.192 13.274
6 HB3 MET 1 3HB MET 1 3.440 -13.614 12.819
7 HG2 MET 1 2HG MET 1 4.619 -12.544 14.657
8 HG3 MET 1 3HG MET 1 5.163 -14.105 15.267
9 HE1 MET 1 3HE MET 1 7.953 -15.246 13.100
10 HE2 MET 1 1HE MET 1 6.378 -15.830 13.648
11 HE3 MET 1 2HE MET 1 7.452 -14.999 14.769
12 HA PRO 2 HA PRO 2 -0.862 -16.661 13.650
13 HB2 PRO 2 2HB PRO 2 -2.709 -14.514 14.643
14 HB3 PRO 2 3HB PRO 2 -2.743 -16.259 14.965
15 HG2 PRO 2 2HG PRO 2 -1.955 -14.533 16.849
16 HG3 PRO 2 3HG PRO 2 -1.157 -16.108 16.666
17 HD2 PRO 2 2HD PRO 2 -0.200 -13.398 15.732
18 HD3 PRO 2 3HD PRO 2 0.728 -14.717 16.484
19 H HIS 3 H HIS 3 -2.039 -16.583 11.708
20 HA HIS 3 HA HIS 3 -2.087 -13.966 10.211
21 HB2 HIS 3 2HB HIS 3 -1.575 -16.775 9.174
22 HB3 HIS 3 3HB HIS 3 -1.795 -15.354 8.152
23 HD1 HIS 3 HD1 HIS 3 0.633 -16.951 10.528
24 HD2 HIS 3 HD2 HIS 3 0.386 -13.512 8.183
25 HE1 HIS 3 HE1 HIS 3 2.945 -15.913 10.529
26 H LYS 4 H LYS 4 -3.983 -13.543 9.049
27 HA LYS 4 HA LYS 4 -6.391 -14.860 9.988
28 HB2 LYS 4 2HB LYS 4 -6.069 -12.960 7.644
29 HB3 LYS 4 3HB LYS 4 -7.562 -13.319 8.506
30 HG2 LYS 4 2HG LYS 4 -5.116 -12.027 9.761
31 HG3 LYS 4 3HG LYS 4 -6.531 -11.144 9.192
32 HD2 LYS 4 2HD LYS 4 -7.901 -12.663 10.783
33 HD3 LYS 4 3HD LYS 4 -6.352 -13.104 11.501
34 HE2 LYS 4 2HE LYS 4 -7.405 -10.273 11.250
35 HE3 LYS 4 3HE LYS 4 -7.407 -11.238 12.728
36 HZ1 LYS 4 3HZ LYS 4 -5.470 -10.022 12.911
37 HZ2 LYS 4 1HZ LYS 4 -5.117 -10.111 11.255
38 HZ3 LYS 4 2HZ LYS 4 -4.902 -11.476 12.241
39 H GLU 5 H GLU 5 -7.624 -16.412 8.970
40 HA GLU 5 HA GLU 5 -6.477 -17.698 6.516
41 HB2 GLU 5 2HB GLU 5 -6.844 -19.051 8.625
42 HB3 GLU 5 3HB GLU 5 -8.572 -18.767 8.439
43 HG2 GLU 5 2HG GLU 5 -8.093 -20.911 7.452
44 HG3 GLU 5 3HG GLU 5 -8.401 -19.794 6.128
45 H LYS 6 H LYS 6 -9.234 -15.943 7.738
46 HA LYS 6 HA LYS 6 -10.938 -16.647 5.413
47 HB2 LYS 6 2HB LYS 6 -11.367 -14.709 7.709
48 HB3 LYS 6 3HB LYS 6 -12.570 -15.104 6.481
49 HG2 LYS 6 2HG LYS 6 -12.346 -17.529 7.164
50 HG3 LYS 6 3HG LYS 6 -11.345 -16.996 8.512
51 HD2 LYS 6 2HD LYS 6 -14.214 -16.142 7.983
52 HD3 LYS 6 3HD LYS 6 -13.696 -17.293 9.211
53 HE2 LYS 6 2HE LYS 6 -13.223 -14.306 9.121
54 HE3 LYS 6 3HE LYS 6 -13.922 -15.268 10.419
55 HZ1 LYS 6 3HZ LYS 6 -11.649 -16.386 10.498
56 HZ2 LYS 6 1HZ LYS 6 -11.782 -14.821 11.140
57 HZ3 LYS 6 2HZ LYS 6 -11.096 -15.054 9.603
58 H HIS 7 H HIS 7 -8.432 -14.535 6.060
59 HA HIS 7 HA HIS 7 -8.763 -13.104 3.578
60 HB2 HIS 7 2HB HIS 7 -8.971 -10.816 4.662
61 HB3 HIS 7 3HB HIS 7 -10.425 -11.808 4.740
62 HD1 HIS 7 HD1 HIS 7 -10.877 -13.043 7.066
63 HD2 HIS 7 HD2 HIS 7 -7.900 -10.128 7.153
64 HE1 HIS 7 HE1 HIS 7 -10.475 -12.505 9.507
65 HA PRO 8 HA PRO 8 -4.498 -13.559 5.477
66 HB2 PRO 8 2HB PRO 8 -3.865 -13.951 2.562
67 HB3 PRO 8 3HB PRO 8 -3.311 -14.887 3.968
68 HG2 PRO 8 2HG PRO 8 -5.166 -15.877 2.325
69 HG3 PRO 8 3HG PRO 8 -5.281 -16.128 4.081
70 HD2 PRO 8 2HD PRO 8 -6.807 -14.171 2.360
71 HD3 PRO 8 3HD PRO 8 -7.388 -15.153 3.725
72 H LEU 9 H LEU 9 -2.928 -11.947 5.560
73 HA LEU 9 HA LEU 9 -3.576 -9.347 4.545
74 HB2 LEU 9 2HB LEU 9 -0.840 -10.312 5.439
75 HB3 LEU 9 3HB LEU 9 -1.442 -8.656 5.452
76 HG LEU 9 HG LEU 9 -2.536 -10.944 7.114
77 HD11 LEU 9 1HD1 LEU 9 -0.286 -10.132 7.795
78 HD12 LEU 9 2HD1 LEU 9 -1.520 -9.776 9.003
79 HD13 LEU 9 3HD1 LEU 9 -0.938 -8.499 7.935
80 HD21 LEU 9 3HD2 LEU 9 -3.699 -8.935 8.293
81 HD22 LEU 9 1HD2 LEU 9 -4.366 -9.472 6.756
82 HD23 LEU 9 2HD2 LEU 9 -3.344 -8.034 6.817
83 H GLN 10 H GLN 10 -1.297 -11.833 3.439
84 HA GLN 10 HA GLN 10 -0.061 -10.339 1.365
85 HB2 GLN 10 2HB GLN 10 0.683 -12.596 2.164
86 HB3 GLN 10 3HB GLN 10 -0.705 -13.305 1.340
87 HG2 GLN 10 2HG GLN 10 0.108 -12.461 -0.814
88 HG3 GLN 10 3HG GLN 10 1.462 -11.663 -0.010
89 HE21 GLN 10 1HE2 GLN 10 1.883 -13.676 -2.021
90 HE22 GLN 10 2HE2 GLN 10 2.580 -15.032 -1.275
91 H ASP 11 H ASP 11 -3.079 -12.217 1.400
92 HA ASP 11 HA ASP 11 -3.639 -12.009 -1.391
93 HB2 ASP 11 2HB ASP 11 -4.871 -13.516 0.150
94 HB3 ASP 11 3HB ASP 11 -5.595 -12.111 0.930
95 H MET 12 H MET 12 -4.478 -9.888 1.352
96 HA MET 12 HA MET 12 -6.017 -8.020 -0.176
97 HB2 MET 12 2HB MET 12 -4.470 -7.799 2.421
98 HB3 MET 12 3HB MET 12 -5.371 -6.435 1.764
99 HG2 MET 12 2HG MET 12 -7.441 -7.754 1.793
100 HG3 MET 12 3HG MET 12 -6.556 -9.152 2.404
101 HE1 MET 12 3HE MET 12 -8.852 -8.635 3.683
102 HE2 MET 12 1HE MET 12 -9.118 -6.895 3.865
103 HE3 MET 12 2HE MET 12 -8.827 -7.899 5.282
104 H PHE 13 H PHE 13 -2.546 -7.998 0.739
105 HA PHE 13 HA PHE 13 -2.003 -5.535 -0.677
106 HB2 PHE 13 2HB PHE 13 -0.174 -7.762 0.284
107 HB3 PHE 13 3HB PHE 13 0.415 -6.278 -0.462
108 HD1 PHE 13 HD2 PHE 13 -0.634 -4.035 0.549
109 HD2 PHE 13 HD1 PHE 13 -0.337 -7.769 2.663
110 HE1 PHE 13 HE2 PHE 13 -0.782 -2.830 2.706
111 HE2 PHE 13 HE1 PHE 13 -0.487 -6.555 4.816
112 HZ PHE 13 HZ PHE 13 -0.708 -4.088 4.840
113 H THR 14 H THR 14 -1.589 -8.974 -1.539
114 HA THR 14 HA THR 14 -0.381 -8.504 -4.082
115 HB THR 14 HB THR 14 -2.113 -10.820 -3.160
116 HG1 THR 14 HG1 THR 14 0.289 -11.585 -3.153
117 HG21 THR 14 3HG2 THR 14 -0.218 -10.502 -5.501
118 HG22 THR 14 1HG2 THR 14 -1.937 -10.892 -5.563
119 HG23 THR 14 2HG2 THR 14 -0.789 -12.064 -4.919
120 H SER 15 H SER 15 -3.807 -9.033 -3.198
121 HA SER 15 HA SER 15 -4.791 -8.782 -5.883
122 HB2 SER 15 2HB SER 15 -6.995 -8.442 -4.803
123 HB3 SER 15 3HB SER 15 -6.130 -9.805 -4.101
124 HG SER 15 HG SER 15 -6.546 -8.750 -2.312
125 H ALA 16 H ALA 16 -4.342 -6.401 -3.269
126 HA ALA 16 HA ALA 16 -5.557 -4.231 -4.751
127 HB1 ALA 16 3HB ALA 16 -4.726 -2.813 -2.985
128 HB2 ALA 16 1HB ALA 16 -3.577 -4.051 -2.467
129 HB3 ALA 16 2HB ALA 16 -5.308 -4.308 -2.254
130 H ILE 17 H ILE 17 -2.140 -5.090 -4.075
131 HA ILE 17 HA ILE 17 -1.019 -2.928 -5.568
132 HB ILE 17 HB ILE 17 0.076 -5.686 -4.911
133 HG12 ILE 17 2HG1 ILE 17 0.733 -2.990 -3.664
134 HG13 ILE 17 3HG1 ILE 17 -0.521 -4.050 -3.025
135 HG21 ILE 17 1HG2 ILE 17 2.328 -4.543 -5.334
136 HG22 ILE 17 2HG2 ILE 17 1.426 -3.249 -6.119
137 HG23 ILE 17 3HG2 ILE 17 1.376 -4.885 -6.773
138 HD11 ILE 17 3HD1 ILE 17 1.614 -4.407 -1.843
139 HD12 ILE 17 1HD1 ILE 17 2.396 -4.798 -3.375
140 HD13 ILE 17 2HD1 ILE 17 1.137 -5.851 -2.735
141 H GLU 18 H GLU 18 -1.805 -6.275 -6.517
142 HA GLU 18 HA GLU 18 -0.847 -6.016 -9.211
143 HB2 GLU 18 2HB GLU 18 -1.300 -8.186 -8.047
144 HB3 GLU 18 3HB GLU 18 -3.026 -7.857 -8.191
145 HG2 GLU 18 2HG GLU 18 -2.840 -7.797 -10.635
146 HG3 GLU 18 3HG GLU 18 -1.096 -8.037 -10.524
147 H ALA 19 H ALA 19 -3.958 -5.287 -7.688
148 HA ALA 19 HA ALA 19 -5.449 -4.969 -10.125
149 HB1 ALA 19 3HB ALA 19 -6.574 -5.218 -7.974
150 HB2 ALA 19 1HB ALA 19 -7.036 -3.682 -8.705
151 HB3 ALA 19 2HB ALA 19 -5.857 -3.715 -7.396
152 H VAL 20 H VAL 20 -4.131 -2.428 -7.953
153 HA VAL 20 HA VAL 20 -4.234 -0.493 -10.234
154 HB VAL 20 HB VAL 20 -3.701 1.198 -8.418
155 HG11 VAL 20 1HG1 VAL 20 -6.191 -0.514 -8.117
156 HG12 VAL 20 2HG1 VAL 20 -5.997 0.889 -9.169
157 HG13 VAL 20 3HG1 VAL 20 -5.991 1.092 -7.418
158 HG21 VAL 20 3HG2 VAL 20 -2.719 -0.577 -6.860
159 HG22 VAL 20 1HG2 VAL 20 -4.379 -1.072 -6.526
160 HG23 VAL 20 2HG2 VAL 20 -3.844 0.553 -6.112
161 H ALA 21 H ALA 21 -2.171 -2.674 -10.003
162 HA ALA 21 HA ALA 21 0.320 -1.833 -9.087
163 HB1 ALA 21 3HB ALA 21 1.269 -3.133 -11.053
164 HB2 ALA 21 1HB ALA 21 -0.385 -3.319 -11.634
165 HB3 ALA 21 2HB ALA 21 0.092 -4.015 -10.089
166 H ARG 22 H ARG 22 -1.409 -0.750 -11.959
167 HA ARG 22 HA ARG 22 -0.943 0.924 -13.507
168 HB2 ARG 22 2HB ARG 22 -1.308 2.325 -11.548
169 HB3 ARG 22 3HB ARG 22 0.362 2.088 -11.022
170 HG2 ARG 22 2HG ARG 22 1.224 3.384 -12.810
171 HG3 ARG 22 3HG ARG 22 -0.219 3.220 -13.765
172 HD2 ARG 22 2HD ARG 22 -0.193 5.479 -12.980
173 HD3 ARG 22 3HD ARG 22 -1.448 4.633 -12.109
174 HE ARG 22 HE ARG 22 -0.399 5.432 -10.213
175 HH11 ARG 22 1HH2 ARG 22 2.196 4.221 -12.088
176 HH12 ARG 22 2HH2 ARG 22 3.346 5.294 -11.405
177 HH21 ARG 22 1HH1 ARG 22 1.115 6.874 -9.368
178 HH22 ARG 22 2HH1 ARG 22 2.763 6.763 -9.890
179 H ASP 23 H ASP 23 2.102 1.518 -11.798
180 HA ASP 23 HA ASP 23 3.628 1.477 -14.201
181 HB2 ASP 23 2HB ASP 23 4.467 1.085 -11.316
182 HB3 ASP 23 3HB ASP 23 5.604 1.305 -12.649
183 H SER 24 H SER 24 4.617 -0.763 -11.664
184 HA SER 24 HA SER 24 3.899 -3.175 -13.111
185 HB2 SER 24 2HB SER 24 5.692 -2.457 -14.603
186 HB3 SER 24 3HB SER 24 6.776 -2.208 -13.235
187 HG SER 24 HG SER 24 6.438 -4.494 -12.787
188 H GLY 25 H GLY 25 3.250 -3.993 -11.123
189 HA2 GLY 25 2HA GLY 25 3.623 -5.273 -9.174
190 HA3 GLY 25 3HA GLY 25 5.356 -5.001 -9.359
191 H TRP 26 H TRP 26 4.833 -2.013 -9.581
192 HA TRP 26 HA TRP 26 4.811 -1.483 -6.658
193 HB2 TRP 26 2HB TRP 26 5.421 0.260 -9.069
194 HB3 TRP 26 3HB TRP 26 5.481 0.825 -7.399
195 HD1 TRP 26 HD1 TRP 26 7.533 -0.889 -9.976
196 HE1 TRP 26 HE1 TRP 26 9.746 -1.719 -8.946
197 HE3 TRP 26 HE3 TRP 26 6.482 -0.265 -5.024
198 HZ2 TRP 26 HZ2 TRP 26 10.916 -2.074 -6.357
199 HZ3 TRP 26 HZ3 TRP 26 8.154 -0.856 -3.297
200 HH2 TRP 26 HH2 TRP 26 10.370 -1.758 -3.956
201 H ALA 27 H ALA 27 3.248 -0.224 -5.651
202 HA ALA 27 HA ALA 27 1.062 0.993 -7.277
203 HB1 ALA 27 3HB ALA 27 -0.632 -0.074 -5.772
204 HB2 ALA 27 1HB ALA 27 0.658 -1.053 -5.069
205 HB3 ALA 27 2HB ALA 27 0.229 -1.247 -6.766
206 H GLU 28 H GLU 28 0.213 2.813 -6.291
207 HA GLU 28 HA GLU 28 1.740 4.044 -4.191
208 HB2 GLU 28 2HB GLU 28 -1.003 4.764 -5.262
209 HB3 GLU 28 3HB GLU 28 0.018 5.811 -4.278
210 HG2 GLU 28 2HG GLU 28 0.828 4.684 -6.974
211 HG3 GLU 28 3HG GLU 28 0.177 6.306 -6.733
212 H LEU 29 H LEU 29 1.496 3.893 -2.007
213 HA LEU 29 HA LEU 29 -0.139 1.970 -0.770
214 HB2 LEU 29 2HB LEU 29 1.829 3.036 0.313
215 HB3 LEU 29 3HB LEU 29 0.934 4.545 0.435
216 HG LEU 29 HG LEU 29 -0.747 3.402 1.889
217 HD11 LEU 29 1HD1 LEU 29 0.141 1.153 2.899
218 HD12 LEU 29 2HD1 LEU 29 1.076 1.040 1.410
219 HD13 LEU 29 3HD1 LEU 29 -0.683 1.114 1.348
220 HD21 LEU 29 3HD2 LEU 29 1.075 4.638 2.918
221 HD22 LEU 29 1HD2 LEU 29 2.154 3.251 2.763
222 HD23 LEU 29 2HD2 LEU 29 0.775 3.180 3.862
223 H SER 30 H SER 30 -0.784 5.423 -1.352
224 HA SER 30 HA SER 30 -3.198 5.615 0.137
225 HB2 SER 30 2HB SER 30 -2.266 7.641 -0.722
226 HB3 SER 30 3HB SER 30 -2.228 7.010 -2.365
227 HG SER 30 HG SER 30 -4.714 6.937 -1.236
228 H ALA 31 H ALA 31 -2.633 4.627 -3.245
229 HA ALA 31 HA ALA 31 -5.392 4.198 -3.891
230 HB1 ALA 31 3HB ALA 31 -3.540 4.331 -5.570
231 HB2 ALA 31 1HB ALA 31 -4.571 2.918 -5.786
232 HB3 ALA 31 2HB ALA 31 -2.986 2.745 -5.028
233 H VAL 32 H VAL 32 -2.923 2.090 -2.440
234 HA VAL 32 HA VAL 32 -4.411 -0.343 -2.551
235 HB VAL 32 HB VAL 32 -2.346 0.625 -0.547
236 HG11 VAL 32 1HG1 VAL 32 -3.511 -1.210 0.485
237 HG12 VAL 32 2HG1 VAL 32 -2.010 -1.869 -0.160
238 HG13 VAL 32 3HG1 VAL 32 -3.526 -2.128 -1.022
239 HG21 VAL 32 3HG2 VAL 32 -0.748 -0.556 -1.911
240 HG22 VAL 32 1HG2 VAL 32 -1.681 0.475 -2.991
241 HG23 VAL 32 2HG2 VAL 32 -2.024 -1.253 -2.908
242 H GLY 33 H GLY 33 -4.161 2.095 0.058
243 HA2 GLY 33 2HA GLY 33 -5.962 0.826 1.850
244 HA3 GLY 33 3HA GLY 33 -5.633 2.557 1.835
245 H SER 34 H SER 34 -6.599 3.236 -0.705
246 HA SER 34 HA SER 34 -9.442 3.361 -0.190
247 HB2 SER 34 2HB SER 34 -9.555 4.467 -2.402
248 HB3 SER 34 3HB SER 34 -8.279 5.150 -1.400
249 HG SER 34 HG SER 34 -7.396 3.023 -2.821
250 H TYR 35 H TYR 35 -7.431 1.472 -2.430
251 HA TYR 35 HA TYR 35 -9.561 0.265 -3.892
252 HB2 TYR 35 2HB TYR 35 -7.214 0.139 -4.623
253 HB3 TYR 35 3HB TYR 35 -6.818 -0.846 -3.217
254 HD1 TYR 35 HD1 TYR 35 -8.584 -0.773 -6.463
255 HD2 TYR 35 HD2 TYR 35 -7.513 -3.194 -3.077
256 HE1 TYR 35 HE1 TYR 35 -9.261 -2.810 -7.702
257 HE2 TYR 35 HE2 TYR 35 -8.190 -5.230 -4.321
258 HH TYR 35 HH TYR 35 -8.491 -5.963 -6.620
259 H LEU 36 H LEU 36 -7.797 -0.900 -1.005
260 HA LEU 36 HA LEU 36 -9.312 -3.307 -0.705
261 HB2 LEU 36 2HB LEU 36 -7.857 -1.607 1.343
262 HB3 LEU 36 3HB LEU 36 -8.488 -3.218 1.673
263 HG LEU 36 HG LEU 36 -6.497 -2.632 -0.545
264 HD11 LEU 36 1HD1 LEU 36 -5.984 -3.648 2.265
265 HD12 LEU 36 2HD1 LEU 36 -5.502 -2.075 1.628
266 HD13 LEU 36 3HD1 LEU 36 -4.779 -3.548 0.979
267 HD21 LEU 36 3HD2 LEU 36 -6.070 -5.178 -0.148
268 HD22 LEU 36 1HD2 LEU 36 -7.519 -4.719 -1.022
269 HD23 LEU 36 2HD2 LEU 36 -7.625 -5.169 0.678
270 H ALA 37 H ALA 37 -9.762 -0.041 0.621
271 HA ALA 37 HA ALA 37 -11.990 -0.627 2.291
272 HB1 ALA 37 3HB ALA 37 -10.818 1.558 2.289
273 HB2 ALA 37 1HB ALA 37 -12.558 1.759 2.077
274 HB3 ALA 37 2HB ALA 37 -11.479 1.900 0.689
275 H LYS 38 H LYS 38 -11.850 0.221 -1.162
276 HA LYS 38 HA LYS 38 -14.687 0.236 -1.589
277 HB2 LYS 38 2HB LYS 38 -12.984 1.184 -3.169
278 HB3 LYS 38 3HB LYS 38 -12.506 -0.463 -3.580
279 HG2 LYS 38 2HG LYS 38 -14.769 -0.950 -4.385
280 HG3 LYS 38 3HG LYS 38 -15.303 0.663 -3.909
281 HD2 LYS 38 2HD LYS 38 -13.679 1.663 -5.482
282 HD3 LYS 38 3HD LYS 38 -13.161 0.048 -5.965
283 HE2 LYS 38 2HE LYS 38 -14.783 0.904 -7.583
284 HE3 LYS 38 3HE LYS 38 -15.486 -0.450 -6.698
285 HZ1 LYS 38 3HZ LYS 38 -16.596 1.118 -5.238
286 HZ2 LYS 38 1HZ LYS 38 -17.028 1.410 -6.851
287 HZ3 LYS 38 2HZ LYS 38 -15.909 2.426 -6.077
288 H ASN 39 H ASN 39 -12.231 -2.330 -1.893
289 HA ASN 39 HA ASN 39 -14.259 -4.341 -2.643
290 HB2 ASN 39 2HB ASN 39 -11.296 -4.557 -2.018
291 HB3 ASN 39 3HB ASN 39 -12.304 -5.909 -2.536
292 HD21 ASN 39 1HD2 ASN 39 -10.323 -3.399 -3.693
293 HD22 ASN 39 2HD2 ASN 39 -10.835 -3.412 -5.311
294 H ASP 40 H ASP 40 -13.300 -2.908 0.213
295 HA ASP 40 HA ASP 40 -14.603 -5.013 1.820
296 HB2 ASP 40 2HB ASP 40 -11.758 -4.140 2.422
297 HB3 ASP 40 3HB ASP 40 -12.727 -5.267 3.368
298 HA PRO 41 HA PRO 41 -15.410 -0.507 2.907
299 HB2 PRO 41 2HB PRO 41 -18.048 -1.827 3.524
300 HB3 PRO 41 3HB PRO 41 -17.732 -0.274 2.720
301 HG2 PRO 41 2HG PRO 41 -18.480 -2.391 1.297
302 HG3 PRO 41 3HG PRO 41 -17.234 -1.285 0.678
303 HD2 PRO 41 2HD PRO 41 -16.877 -4.016 1.909
304 HD3 PRO 41 3HD PRO 41 -15.999 -3.275 0.550
305 H SER 42 H SER 42 -16.168 -3.541 4.569
306 HA SER 42 HA SER 42 -16.487 -2.451 7.197
307 HB2 SER 42 2HB SER 42 -17.197 -4.739 6.529
308 HB3 SER 42 3HB SER 42 -15.504 -5.197 6.372
309 HG SER 42 HG SER 42 -15.828 -5.707 8.413
310 H PHE 43 H PHE 43 -13.757 -2.750 5.189
311 HA PHE 43 HA PHE 43 -11.733 -3.253 7.162
312 HB2 PHE 43 2HB PHE 43 -11.436 -3.322 4.637
313 HB3 PHE 43 3HB PHE 43 -11.402 -1.560 4.661
314 HD1 PHE 43 HD2 PHE 43 -9.829 -4.546 6.277
315 HD2 PHE 43 HD1 PHE 43 -9.304 -0.461 5.043
316 HE1 PHE 43 HE2 PHE 43 -7.439 -4.659 6.919
317 HE2 PHE 43 HE1 PHE 43 -6.910 -0.587 5.682
318 HZ PHE 43 HZ PHE 43 -5.980 -2.678 6.624
319 H ASP 44 H ASP 44 -10.754 -1.888 8.592
320 HA ASP 44 HA ASP 44 -11.645 0.984 8.691
321 HB2 ASP 44 2HB ASP 44 -11.057 -1.004 10.888
322 HB3 ASP 44 3HB ASP 44 -11.238 0.725 11.182
323 HA PRO 45 HA PRO 45 -7.029 0.947 8.339
324 HB2 PRO 45 2HB PRO 45 -6.767 3.314 6.917
325 HB3 PRO 45 3HB PRO 45 -6.997 1.730 6.161
326 HG2 PRO 45 2HG PRO 45 -8.949 3.932 6.550
327 HG3 PRO 45 3HG PRO 45 -8.885 2.695 5.283
328 HD2 PRO 45 2HD PRO 45 -10.631 2.665 7.489
329 HD3 PRO 45 3HD PRO 45 -10.260 1.258 6.476
330 H ARG 46 H ARG 46 -9.274 2.957 9.819
331 HA ARG 46 HA ARG 46 -7.534 5.034 10.825
332 HB2 ARG 46 2HB ARG 46 -10.215 3.931 11.728
333 HB3 ARG 46 3HB ARG 46 -9.394 5.214 12.617
334 HG2 ARG 46 2HG ARG 46 -11.038 6.117 10.951
335 HG3 ARG 46 3HG ARG 46 -9.377 6.630 10.672
336 HD2 ARG 46 2HD ARG 46 -9.100 5.104 8.839
337 HD3 ARG 46 3HD ARG 46 -10.560 4.223 9.275
338 HE ARG 46 HE ARG 46 -11.574 5.614 7.711
339 HH11 ARG 46 1HH2 ARG 46 -9.623 7.674 9.657
340 HH12 ARG 46 2HH2 ARG 46 -9.552 8.922 8.479
341 HH21 ARG 46 1HH1 ARG 46 -11.418 7.230 6.155
342 HH22 ARG 46 2HH1 ARG 46 -10.541 8.679 6.517
343 H ASN 47 H ASN 47 -8.553 1.870 12.041
344 HA ASN 47 HA ASN 47 -7.068 2.086 14.522
345 HB2 ASN 47 2HB ASN 47 -7.536 -0.260 14.827
346 HB3 ASN 47 3HB ASN 47 -8.974 0.484 14.132
347 HD21 ASN 47 1HD2 ASN 47 -9.847 -0.767 12.482
348 HD22 ASN 47 2HD2 ASN 47 -8.959 -1.753 11.425
349 H TRP 48 H TRP 48 -6.185 1.303 11.245
350 HA TRP 48 HA TRP 48 -3.601 0.068 12.094
351 HB2 TRP 48 2HB TRP 48 -4.876 0.524 9.374
352 HB3 TRP 48 3HB TRP 48 -3.268 -0.165 9.597
353 HD1 TRP 48 HD1 TRP 48 -6.779 -1.196 9.311
354 HE1 TRP 48 HE1 TRP 48 -7.096 -3.626 10.096
355 HE3 TRP 48 HE3 TRP 48 -2.317 -1.946 11.677
356 HZ2 TRP 48 HZ2 TRP 48 -5.654 -5.626 11.540
357 HZ3 TRP 48 HZ3 TRP 48 -1.817 -4.123 12.750
358 HH2 TRP 48 HH2 TRP 48 -3.479 -5.961 12.686
359 H GLY 49 H GLY 49 -4.742 3.095 11.913
360 HA2 GLY 49 2HA GLY 49 -3.718 5.195 11.757
361 HA3 GLY 49 3HA GLY 49 -2.188 4.349 11.955
362 H HIS 50 H HIS 50 -3.221 6.569 10.087
363 HA HIS 50 HA HIS 50 -3.129 5.523 7.407
364 HB2 HIS 50 2HB HIS 50 -4.113 7.728 7.988
365 HB3 HIS 50 3HB HIS 50 -2.500 8.327 8.378
366 HD1 HIS 50 HD1 HIS 50 -0.829 8.655 6.398
367 HD2 HIS 50 HD2 HIS 50 -4.643 7.462 5.211
368 HE1 HIS 50 HE1 HIS 50 -0.941 9.006 3.892
369 H GLY 51 H GLY 51 -0.652 6.759 9.613
370 HA2 GLY 51 2HA GLY 51 1.468 6.414 7.534
371 HA3 GLY 51 3HA GLY 51 1.673 7.179 9.108
372 H ARG 52 H ARG 52 0.366 5.107 10.616
373 HA ARG 52 HA ARG 52 2.605 3.403 11.122
374 HB2 ARG 52 2HB ARG 52 0.787 3.964 12.764
375 HB3 ARG 52 3HB ARG 52 -0.289 2.886 11.881
376 HG2 ARG 52 2HG ARG 52 1.149 0.980 12.329
377 HG3 ARG 52 3HG ARG 52 2.369 2.022 13.059
378 HD2 ARG 52 2HD ARG 52 1.241 1.129 14.938
379 HD3 ARG 52 3HD ARG 52 0.479 2.702 14.731
380 HE ARG 52 HE ARG 52 -0.852 0.416 13.398
381 HH11 ARG 52 1HH2 ARG 52 -0.774 2.710 15.998
382 HH12 ARG 52 2HH2 ARG 52 -2.316 2.232 16.615
383 HH21 ARG 52 1HH1 ARG 52 -2.815 -0.233 14.260
384 HH22 ARG 52 2HH1 ARG 52 -3.458 0.580 15.648
385 H LEU 53 H LEU 53 0.092 3.237 8.796
386 HA LEU 53 HA LEU 53 -0.072 0.411 8.403
387 HB2 LEU 53 2HB LEU 53 -1.665 2.020 7.405
388 HB3 LEU 53 3HB LEU 53 -0.376 2.682 6.408
389 HG LEU 53 HG LEU 53 -0.127 0.501 5.270
390 HD11 LEU 53 1HD1 LEU 53 -2.261 -0.332 7.246
391 HD12 LEU 53 2HD1 LEU 53 -0.766 -1.162 6.813
392 HD13 LEU 53 3HD1 LEU 53 -2.117 -1.151 5.689
393 HD21 LEU 53 3HD2 LEU 53 -2.314 0.560 4.081
394 HD22 LEU 53 1HD2 LEU 53 -1.641 2.170 4.331
395 HD23 LEU 53 2HD2 LEU 53 -2.955 1.596 5.357
396 H SER 54 H SER 54 2.056 2.909 7.022
397 HA SER 54 HA SER 54 3.496 1.158 5.263
398 HB2 SER 54 2HB SER 54 5.206 2.948 5.250
399 HB3 SER 54 3HB SER 54 3.585 3.600 5.030
400 HG SER 54 HG SER 54 4.100 4.797 6.682
401 H GLN 55 H GLN 55 3.724 1.822 8.687
402 HA GLN 55 HA GLN 55 6.364 0.571 8.998
403 HB2 GLN 55 2HB GLN 55 5.534 2.372 10.522
404 HB3 GLN 55 3HB GLN 55 4.290 1.265 11.106
405 HG2 GLN 55 2HG GLN 55 5.981 -0.278 11.936
406 HG3 GLN 55 3HG GLN 55 7.268 0.706 11.238
407 HE21 GLN 55 1HE2 GLN 55 8.312 1.582 13.062
408 HE22 GLN 55 2HE2 GLN 55 7.518 2.439 14.294
409 H MET 56 H MET 56 2.970 -0.379 9.350
410 HA MET 56 HA MET 56 3.393 -2.854 10.705
411 HB2 MET 56 2HB MET 56 1.166 -1.795 10.385
412 HB3 MET 56 3HB MET 56 1.251 -2.170 8.667
413 HG2 MET 56 2HG MET 56 1.338 -4.573 9.166
414 HG3 MET 56 3HG MET 56 1.355 -4.228 10.896
415 HE1 MET 56 3HE MET 56 -2.106 -3.883 7.920
416 HE2 MET 56 1HE MET 56 -0.878 -5.156 7.935
417 HE3 MET 56 2HE MET 56 -0.423 -3.491 7.593
418 H VAL 57 H VAL 57 3.233 -2.115 7.217
419 HA VAL 57 HA VAL 57 3.580 -4.791 6.308
420 HB VAL 57 HB VAL 57 4.478 -3.654 4.210
421 HG11 VAL 57 1HG1 VAL 57 2.077 -4.118 4.513
422 HG12 VAL 57 2HG1 VAL 57 2.316 -2.588 3.670
423 HG13 VAL 57 3HG1 VAL 57 1.891 -2.595 5.381
424 HG21 VAL 57 3HG2 VAL 57 4.397 -1.227 4.118
425 HG22 VAL 57 1HG2 VAL 57 5.467 -1.711 5.430
426 HG23 VAL 57 2HG2 VAL 57 3.835 -1.153 5.786
427 H LYS 58 H LYS 58 5.886 -2.402 7.437
428 HA LYS 58 HA LYS 58 8.261 -3.682 6.480
429 HB2 LYS 58 2HB LYS 58 8.111 -1.337 7.380
430 HB3 LYS 58 3HB LYS 58 7.947 -2.026 8.995
431 HG2 LYS 58 2HG LYS 58 10.130 -3.073 8.838
432 HG3 LYS 58 3HG LYS 58 10.285 -2.599 7.148
433 HD2 LYS 58 2HD LYS 58 11.580 -1.043 8.481
434 HD3 LYS 58 3HD LYS 58 10.167 -0.194 7.859
435 HE2 LYS 58 2HE LYS 58 9.081 -0.235 9.983
436 HE3 LYS 58 3HE LYS 58 10.169 -1.473 10.610
437 HZ1 LYS 58 3HZ LYS 58 11.980 0.115 10.492
438 HZ2 LYS 58 1HZ LYS 58 10.721 0.717 11.456
439 HZ3 LYS 58 2HZ LYS 58 10.932 1.301 9.875
440 H LYS 59 H LYS 59 6.216 -4.261 9.299
441 HA LYS 59 HA LYS 59 8.183 -6.104 10.521
442 HB2 LYS 59 2HB LYS 59 5.330 -5.387 11.240
443 HB3 LYS 59 3HB LYS 59 6.357 -6.459 12.194
444 HG2 LYS 59 2HG LYS 59 8.025 -4.615 12.412
445 HG3 LYS 59 3HG LYS 59 6.919 -3.544 11.556
446 HD2 LYS 59 2HD LYS 59 6.149 -5.006 14.105
447 HD3 LYS 59 3HD LYS 59 6.852 -3.392 14.112
448 HE2 LYS 59 2HE LYS 59 4.940 -2.708 12.534
449 HE3 LYS 59 3HE LYS 59 4.190 -4.250 12.945
450 HZ1 LYS 59 3HZ LYS 59 5.116 -2.372 15.025
451 HZ2 LYS 59 1HZ LYS 59 4.020 -3.659 15.173
452 HZ3 LYS 59 2HZ LYS 59 3.568 -2.251 14.336
453 H LEU 60 H LEU 60 5.890 -6.316 8.049
454 HA LEU 60 HA LEU 60 5.314 -9.218 8.547
455 HB2 LEU 60 2HB LEU 60 4.156 -7.278 6.521
456 HB3 LEU 60 3HB LEU 60 3.664 -8.959 6.715
457 HG LEU 60 HG LEU 60 3.478 -6.841 8.886
458 HD11 LEU 60 1HD1 LEU 60 1.369 -7.995 7.037
459 HD12 LEU 60 2HD1 LEU 60 1.928 -6.326 7.089
460 HD13 LEU 60 3HD1 LEU 60 1.018 -6.988 8.443
461 HD21 LEU 60 3HD2 LEU 60 3.554 -8.882 10.046
462 HD22 LEU 60 1HD2 LEU 60 2.739 -9.775 8.758
463 HD23 LEU 60 2HD2 LEU 60 1.829 -8.688 9.804
464 H ASP 61 H ASP 61 6.462 -10.707 7.459
465 HA ASP 61 HA ASP 61 8.609 -9.994 5.707
466 HB2 ASP 61 2HB ASP 61 7.232 -12.643 6.236
467 HB3 ASP 61 3HB ASP 61 8.694 -12.483 5.263
468 H PHE 62 H PHE 62 8.537 -11.674 3.564
469 HA PHE 62 HA PHE 62 7.946 -11.554 1.300
470 HB2 PHE 62 2HB PHE 62 5.695 -12.393 0.843
471 HB3 PHE 62 3HB PHE 62 6.424 -13.292 2.168
472 HD1 PHE 62 HD1 PHE 62 3.835 -10.815 1.245
473 HD2 PHE 62 HD2 PHE 62 5.601 -13.046 4.465
474 HE1 PHE 62 HE1 PHE 62 1.929 -10.221 2.701
475 HE2 PHE 62 HE2 PHE 62 3.684 -12.456 5.919
476 HZ PHE 62 HZ PHE 62 1.843 -11.042 5.035
477 H LEU 63 H LEU 63 7.546 -8.957 2.993
478 HA LEU 63 HA LEU 63 5.975 -7.493 0.890
479 HB2 LEU 63 2HB LEU 63 4.859 -7.971 3.244
480 HB3 LEU 63 3HB LEU 63 5.913 -6.693 3.818
481 HG LEU 63 HG LEU 63 3.784 -5.730 3.262
482 HD11 LEU 63 1HD1 LEU 63 5.550 -5.016 0.917
483 HD12 LEU 63 2HD1 LEU 63 5.968 -4.560 2.569
484 HD13 LEU 63 3HD1 LEU 63 4.475 -3.981 1.851
485 HD21 LEU 63 3HD2 LEU 63 3.908 -6.462 0.346
486 HD22 LEU 63 1HD2 LEU 63 2.519 -6.151 1.381
487 HD23 LEU 63 2HD2 LEU 63 3.349 -7.697 1.473
488 H THR 64 H THR 64 7.398 -6.164 -0.086
489 HA THR 64 HA THR 64 9.808 -5.179 1.352
490 HB THR 64 HB THR 64 8.946 -4.823 -1.543
491 HG1 THR 64 HG1 THR 64 9.453 -6.882 -1.473
492 HG21 THR 64 3HG2 THR 64 10.506 -3.088 -0.885
493 HG22 THR 64 1HG2 THR 64 11.383 -4.282 -1.841
494 HG23 THR 64 2HG2 THR 64 11.546 -4.268 -0.085
495 H VAL 65 H VAL 65 10.099 -2.995 1.864
496 HA VAL 65 HA VAL 65 7.753 -1.159 1.399
497 HB VAL 65 HB VAL 65 9.805 -1.124 3.634
498 HG11 VAL 65 1HG1 VAL 65 8.163 0.524 4.625
499 HG12 VAL 65 2HG1 VAL 65 7.332 0.542 3.069
500 HG13 VAL 65 3HG1 VAL 65 8.994 1.115 3.187
501 HG21 VAL 65 3HG2 VAL 65 6.909 -2.027 3.547
502 HG22 VAL 65 1HG2 VAL 65 7.832 -1.795 5.033
503 HG23 VAL 65 2HG2 VAL 65 8.319 -3.035 3.878
504 H GLN 66 H GLN 66 8.144 0.619 0.243
505 HA GLN 66 HA GLN 66 10.801 1.894 0.191
506 HB2 GLN 66 2HB GLN 66 10.924 0.140 -1.594
507 HB3 GLN 66 3HB GLN 66 9.520 0.875 -2.369
508 HG2 GLN 66 2HG GLN 66 10.720 2.949 -2.724
509 HG3 GLN 66 3HG GLN 66 12.097 2.363 -1.789
510 HE21 GLN 66 1HE2 GLN 66 10.673 2.423 -4.942
511 HE22 GLN 66 2HE2 GLN 66 11.776 1.377 -5.697
512 H GLU 67 H GLU 67 10.612 4.083 -0.340
513 HA GLU 67 HA GLU 67 7.816 5.117 -0.726
514 HB2 GLU 67 2HB GLU 67 10.288 6.393 0.491
515 HB3 GLU 67 3HB GLU 67 8.761 7.229 0.229
516 HG2 GLU 67 2HG GLU 67 8.753 6.476 2.519
517 HG3 GLU 67 3HG GLU 67 7.637 5.436 1.635
518 H SER 68 H SER 68 7.498 6.830 -2.222
519 HA SER 68 HA SER 68 9.702 7.273 -4.213
520 HB2 SER 68 2HB SER 68 6.770 6.758 -4.746
521 HB3 SER 68 3HB SER 68 7.916 7.333 -5.957
522 HG SER 68 HG SER 68 8.121 4.940 -4.431
523 H ARG 69 H ARG 69 10.090 9.351 -4.616
524 HA ARG 69 HA ARG 69 8.639 11.412 -3.155
525 HB2 ARG 69 2HB ARG 69 10.995 11.416 -5.073
526 HB3 ARG 69 3HB ARG 69 10.279 12.919 -4.503
527 HG2 ARG 69 2HG ARG 69 12.203 12.349 -3.093
528 HG3 ARG 69 3HG ARG 69 10.721 12.256 -2.153
529 HD2 ARG 69 2HD ARG 69 11.762 10.296 -1.464
530 HD3 ARG 69 3HD ARG 69 10.860 9.674 -2.798
531 HE ARG 69 HE ARG 69 13.758 10.392 -3.024
532 HH11 ARG 69 1HH2 ARG 69 11.124 8.459 -4.107
533 HH12 ARG 69 2HH2 ARG 69 12.102 7.073 -4.445
534 HH21 ARG 69 1HH1 ARG 69 15.043 8.519 -3.446
535 HH22 ARG 69 2HH1 ARG 69 14.273 7.103 -4.077
536 H ASN 70 H ASN 70 7.106 12.802 -3.999
537 HA ASN 70 HA ASN 70 6.660 12.944 -6.930
538 HB2 ASN 70 2HB ASN 70 4.604 11.916 -4.946
539 HB3 ASN 70 3HB ASN 70 4.219 12.421 -6.593
540 HD21 ASN 70 1HD2 ASN 70 4.374 9.636 -5.108
541 HD22 ASN 70 2HD2 ASN 70 5.237 8.677 -6.211
542 H GLY 71 H GLY 71 6.982 15.136 -6.974
543 HA2 GLY 71 2HA GLY 71 6.483 17.406 -6.695
544 HA3 GLY 71 3HA GLY 71 4.881 16.886 -6.170
545 H SER 72 H SER 72 4.647 18.217 -4.400
546 HA SER 72 HA SER 72 6.777 18.441 -2.370
547 HB2 SER 72 2HB SER 72 5.312 20.049 -1.321
548 HB3 SER 72 3HB SER 72 5.298 20.364 -3.054
549 HG SER 72 HG SER 72 3.413 18.741 -2.893
550 H LYS 73 H LYS 73 4.385 16.195 -3.052
551 HA LYS 73 HA LYS 73 4.033 15.444 -0.149
552 HB2 LYS 73 2HB LYS 73 1.968 16.055 -1.465
553 HB3 LYS 73 3HB LYS 73 2.276 14.662 -2.496
554 HG2 LYS 73 2HG LYS 73 2.194 13.182 -0.504
555 HG3 LYS 73 3HG LYS 73 1.841 14.579 0.509
556 HD2 LYS 73 2HD LYS 73 0.104 13.790 -1.851
557 HD3 LYS 73 3HD LYS 73 -0.183 13.179 -0.227
558 HE2 LYS 73 2HE LYS 73 -0.274 15.631 0.529
559 HE3 LYS 73 3HE LYS 73 -0.347 16.048 -1.181
560 HZ1 LYS 73 3HZ LYS 73 -2.493 15.632 -1.128
561 HZ2 LYS 73 1HZ LYS 73 -2.407 15.124 0.488
562 HZ3 LYS 73 2HZ LYS 73 -2.170 14.003 -0.766
563 H LEU 74 H LEU 74 5.156 13.686 0.432
564 HA LEU 74 HA LEU 74 6.335 11.880 -1.577
565 HB2 LEU 74 2HB LEU 74 7.676 12.485 0.339
566 HB3 LEU 74 3HB LEU 74 6.432 11.952 1.455
567 HG LEU 74 HG LEU 74 7.346 9.841 -0.462
568 HD11 LEU 74 1HD1 LEU 74 9.218 10.954 1.652
569 HD12 LEU 74 2HD1 LEU 74 9.511 10.871 -0.083
570 HD13 LEU 74 3HD1 LEU 74 9.431 9.393 0.868
571 HD21 LEU 74 3HD2 LEU 74 7.193 8.429 1.506
572 HD22 LEU 74 1HD2 LEU 74 5.796 9.494 1.522
573 HD23 LEU 74 2HD2 LEU 74 7.168 9.827 2.575
574 H HIS 75 H HIS 75 5.437 9.963 -2.199
575 HA HIS 75 HA HIS 75 2.995 8.980 -0.735
576 HB2 HIS 75 2HB HIS 75 3.880 8.639 -3.618
577 HB3 HIS 75 3HB HIS 75 2.459 7.871 -2.910
578 HD1 HIS 75 HD1 HIS 75 3.207 10.668 -4.898
579 HD2 HIS 75 HD2 HIS 75 0.869 10.178 -1.482
580 HE1 HIS 75 HE1 HIS 75 1.620 12.641 -4.827
581 H SER 76 H SER 76 3.240 7.124 0.350
582 HA SER 76 HA SER 76 5.688 5.585 0.237
583 HB2 SER 76 2HB SER 76 3.025 5.171 1.609
584 HB3 SER 76 3HB SER 76 4.332 3.996 1.736
585 HG SER 76 HG SER 76 4.318 5.597 3.420
586 H GLU 77 H GLU 77 5.910 3.401 -0.518
587 HA GLU 77 HA GLU 77 3.757 2.331 -2.306
588 HB2 GLU 77 2HB GLU 77 6.668 2.745 -3.063
589 HB3 GLU 77 3HB GLU 77 5.539 1.753 -3.988
590 HG2 GLU 77 2HG GLU 77 4.077 3.708 -4.310
591 HG3 GLU 77 3HG GLU 77 5.192 4.708 -3.380
592 H ILE 78 H ILE 78 3.859 0.063 -2.568
593 HA ILE 78 HA ILE 78 5.843 -1.431 -0.891
594 HB ILE 78 HB ILE 78 3.921 -2.883 -0.125
595 HG12 ILE 78 2HG1 ILE 78 2.244 -0.563 -1.130
596 HG13 ILE 78 3HG1 ILE 78 2.348 -2.125 -1.935
597 HG21 ILE 78 1HG2 ILE 78 3.220 -1.348 1.644
598 HG22 ILE 78 2HG2 ILE 78 3.727 0.038 0.678
599 HG23 ILE 78 3HG2 ILE 78 4.929 -1.094 1.299
600 HD11 ILE 78 3HD1 ILE 78 1.580 -3.191 0.229
601 HD12 ILE 78 1HD1 ILE 78 0.379 -2.169 -0.557
602 HD13 ILE 78 2HD1 ILE 78 1.270 -1.565 0.837
603 H ARG 79 H ARG 79 6.066 -3.648 -1.524
604 HA ARG 79 HA ARG 79 4.707 -4.622 -3.939
605 HB2 ARG 79 2HB ARG 79 6.521 -3.118 -4.804
606 HB3 ARG 79 3HB ARG 79 7.698 -4.127 -3.965
607 HG2 ARG 79 2HG ARG 79 6.897 -6.096 -5.294
608 HG3 ARG 79 3HG ARG 79 5.817 -5.017 -6.178
609 HD2 ARG 79 2HD ARG 79 7.897 -5.322 -7.440
610 HD3 ARG 79 3HD ARG 79 7.775 -3.665 -6.870
611 HE ARG 79 HE ARG 79 9.415 -4.133 -5.146
612 HH11 ARG 79 1HH2 ARG 79 9.082 -6.626 -7.540
613 HH12 ARG 79 2HH2 ARG 79 10.294 -7.627 -6.817
614 HH21 ARG 79 1HH1 ARG 79 10.942 -5.461 -4.206
615 HH22 ARG 79 2HH1 ARG 79 11.333 -6.980 -4.942
616 H LEU 80 H LEU 80 5.079 -6.902 -4.194
617 HA LEU 80 HA LEU 80 5.710 -8.287 -1.735
618 HB2 LEU 80 2HB LEU 80 5.420 -9.420 -4.533
619 HB3 LEU 80 3HB LEU 80 5.258 -10.308 -3.018
620 HG LEU 80 HG LEU 80 3.475 -8.015 -3.903
621 HD11 LEU 80 1HD1 LEU 80 3.030 -11.010 -3.855
622 HD12 LEU 80 2HD1 LEU 80 3.077 -9.965 -5.275
623 HD13 LEU 80 3HD1 LEU 80 1.756 -9.819 -4.118
624 HD21 LEU 80 3HD2 LEU 80 2.044 -9.028 -1.949
625 HD22 LEU 80 1HD2 LEU 80 3.397 -7.981 -1.542
626 HD23 LEU 80 2HD2 LEU 80 3.569 -9.730 -1.407
627 H ARG 81 H ARG 81 7.576 -9.351 -1.156
628 HA ARG 81 HA ARG 81 10.050 -8.536 -2.384
629 HB2 ARG 81 2HB ARG 81 9.810 -9.096 0.024
630 HB3 ARG 81 3HB ARG 81 9.543 -10.783 -0.413
631 HG2 ARG 81 2HG ARG 81 11.769 -10.948 -1.382
632 HG3 ARG 81 3HG ARG 81 12.039 -9.218 -1.154
633 HD2 ARG 81 2HD ARG 81 11.977 -9.456 1.257
634 HD3 ARG 81 3HD ARG 81 11.489 -11.145 1.127
635 HE ARG 81 HE ARG 81 13.911 -11.071 -0.221
636 HH11 ARG 81 1HH2 ARG 81 12.771 -10.033 2.863
637 HH12 ARG 81 2HH2 ARG 81 14.269 -10.348 3.671
638 HH21 ARG 81 1HH1 ARG 81 15.862 -11.511 0.824
639 HH22 ARG 81 2HH1 ARG 81 16.020 -11.186 2.517
640 H HIS 82 H HIS 82 9.946 -9.221 -4.572
641 HA HIS 82 HA HIS 82 10.821 -11.994 -5.017
642 HB2 HIS 82 2HB HIS 82 8.338 -12.187 -5.050
643 HB3 HIS 82 3HB HIS 82 8.275 -10.962 -6.317
644 HD1 HIS 82 HD1 HIS 82 9.931 -14.353 -5.720
645 HD2 HIS 82 HD2 HIS 82 8.451 -12.036 -8.855
646 HE1 HIS 82 HE1 HIS 82 10.117 -15.772 -7.810
647 H ASP 83 H ASP 83 11.620 -12.255 -7.245
648 HA ASP 83 HA ASP 83 12.940 -11.463 -9.020
649 HB2 ASP 83 2HB ASP 83 10.610 -9.516 -9.082
650 HB3 ASP 83 3HB ASP 83 11.857 -9.561 -10.327
651 H GLY 84 H GLY 84 11.828 -8.203 -8.283
652 HA2 GLY 84 2HA GLY 84 12.958 -6.395 -7.264
653 HA3 GLY 84 3HA GLY 84 14.214 -7.510 -6.727
654 H LEU 85 H LEU 85 15.833 -5.982 -7.458
655 HA LEU 85 HA LEU 85 15.964 -5.243 -10.295
656 HB2 LEU 85 2HB LEU 85 18.327 -4.439 -9.552
657 HB3 LEU 85 3HB LEU 85 16.931 -3.609 -8.874
658 HG LEU 85 HG LEU 85 17.875 -5.997 -7.312
659 HD11 LEU 85 1HD1 LEU 85 19.683 -4.692 -6.208
660 HD12 LEU 85 2HD1 LEU 85 19.500 -3.442 -7.437
661 HD13 LEU 85 3HD1 LEU 85 20.041 -5.056 -7.896
662 HD21 LEU 85 3HD2 LEU 85 16.017 -4.388 -6.627
663 HD22 LEU 85 1HD2 LEU 85 17.263 -3.166 -6.389
664 HD23 LEU 85 2HD2 LEU 85 17.272 -4.638 -5.417
665 H GLU 86 H GLU 86 17.098 -6.307 -11.867
666 HA GLU 86 HA GLU 86 19.262 -8.163 -11.277
667 HB2 GLU 86 2HB GLU 86 17.250 -9.546 -10.705
668 HB3 GLU 86 3HB GLU 86 16.677 -9.335 -12.359
669 HG2 GLU 86 2HG GLU 86 18.689 -10.431 -13.229
670 HG3 GLU 86 3HG GLU 86 19.341 -10.576 -11.598
671 H HIS 87 H HIS 87 16.938 -6.811 -13.539
672 HA HIS 87 HA HIS 87 18.487 -7.586 -15.914
673 HB2 HIS 87 2HB HIS 87 16.839 -6.235 -17.142
674 HB3 HIS 87 3HB HIS 87 16.029 -7.336 -16.027
675 HD1 HIS 87 HD1 HIS 87 15.328 -6.209 -13.642
676 HD2 HIS 87 HD2 HIS 87 16.172 -3.570 -16.760
677 HE1 HIS 87 HE1 HIS 87 14.340 -3.974 -12.977
678 H HIS 88 H HIS 88 18.737 -5.185 -13.552
679 HA HIS 88 HA HIS 88 19.573 -2.910 -15.038
680 HB2 HIS 88 2HB HIS 88 19.122 -2.898 -12.588
681 HB3 HIS 88 3HB HIS 88 20.596 -3.832 -12.331
682 HD1 HIS 88 HD1 HIS 88 19.500 -0.492 -13.801
683 HD2 HIS 88 HD2 HIS 88 22.901 -2.284 -12.186
684 HE1 HIS 88 HE1 HIS 88 21.253 1.329 -13.619
685 H HIS 89 H HIS 89 21.378 -5.760 -13.930
686 HA HIS 89 HA HIS 89 23.998 -4.937 -14.568
687 HB2 HIS 89 2HB HIS 89 23.439 -7.076 -13.431
688 HB3 HIS 89 3HB HIS 89 22.806 -7.702 -14.954
689 HD1 HIS 89 HD1 HIS 89 26.067 -6.149 -13.695
690 HD2 HIS 89 HD2 HIS 89 24.742 -9.026 -16.405
691 HE1 HIS 89 HE1 HIS 89 28.142 -7.197 -14.698
692 H HIS 90 H HIS 90 21.393 -5.991 -16.684
693 HA HIS 90 HA HIS 90 22.875 -6.525 -19.042
694 HB2 HIS 90 2HB HIS 90 20.427 -6.943 -18.752
695 HB3 HIS 90 3HB HIS 90 20.149 -5.206 -18.843
696 HD1 HIS 90 HD1 HIS 90 20.387 -4.070 -21.150
697 HD2 HIS 90 HD2 HIS 90 21.155 -8.167 -21.234
698 HE1 HIS 90 HE1 HIS 90 20.443 -4.738 -23.593
699 H HIS 91 H HIS 91 21.590 -3.447 -17.789
700 HA HIS 91 HA HIS 91 22.466 -1.854 -20.007
701 HB2 HIS 91 2HB HIS 91 20.778 -1.075 -18.377
702 HB3 HIS 91 3HB HIS 91 22.017 -1.035 -17.123
703 HD1 HIS 91 HD1 HIS 91 21.504 0.450 -20.611
704 HD2 HIS 91 HD2 HIS 91 23.225 1.437 -16.943
705 HE1 HIS 91 HE1 HIS 91 22.368 2.820 -20.840
706 H HIS 92 H HIS 92 23.983 -2.644 -16.896
707 HA HIS 92 HA HIS 92 26.649 -2.312 -18.026
708 HB2 HIS 92 2HB HIS 92 26.059 0.054 -17.662
709 HB3 HIS 92 3HB HIS 92 25.654 -0.296 -15.984
710 HD1 HIS 92 HD1 HIS 92 28.658 -0.471 -18.327
711 HD2 HIS 92 HD2 HIS 92 27.819 -0.137 -14.257
712 HE1 HIS 92 HE1 HIS 92 30.876 -0.089 -17.166
Start of MODEL 13
1 H1 MET 1 1H MET 1 -18.394 -10.191 -1.880
2 H2 MET 1 2H MET 1 -19.423 -10.862 -3.055
3 H3 MET 1 3H MET 1 -17.738 -10.899 -3.275
4 HA MET 1 HA MET 1 -17.860 -12.155 -0.974
5 HB2 MET 1 2HB MET 1 -20.580 -11.950 -1.742
6 HB3 MET 1 3HB MET 1 -20.160 -13.613 -2.132
7 HG2 MET 1 2HG MET 1 -19.279 -13.881 0.200
8 HG3 MET 1 3HG MET 1 -19.831 -12.245 0.564
9 HE1 MET 1 3HE MET 1 -20.766 -15.398 1.787
10 HE2 MET 1 1HE MET 1 -22.241 -14.672 2.438
11 HE3 MET 1 2HE MET 1 -20.719 -13.786 2.491
12 HA PRO 2 HA PRO 2 -17.578 -15.281 -4.737
13 HB2 PRO 2 2HB PRO 2 -17.452 -13.320 -7.007
14 HB3 PRO 2 3HB PRO 2 -18.302 -14.877 -6.919
15 HG2 PRO 2 2HG PRO 2 -19.655 -12.583 -6.817
16 HG3 PRO 2 3HG PRO 2 -20.123 -13.958 -5.791
17 HD2 PRO 2 2HD PRO 2 -18.547 -11.493 -5.012
18 HD3 PRO 2 3HD PRO 2 -19.871 -12.299 -4.135
19 H HIS 3 H HIS 3 -15.522 -15.983 -5.413
20 HA HIS 3 HA HIS 3 -13.176 -15.952 -5.467
21 HB2 HIS 3 2HB HIS 3 -13.746 -14.737 -7.580
22 HB3 HIS 3 3HB HIS 3 -13.637 -13.218 -6.691
23 HD1 HIS 3 HD1 HIS 3 -11.295 -12.351 -6.085
24 HD2 HIS 3 HD2 HIS 3 -11.227 -16.071 -7.963
25 HE1 HIS 3 HE1 HIS 3 -8.874 -12.816 -6.668
26 H LYS 4 H LYS 4 -14.092 -15.273 -2.949
27 HA LYS 4 HA LYS 4 -11.912 -13.531 -2.008
28 HB2 LYS 4 2HB LYS 4 -13.977 -12.059 -2.564
29 HB3 LYS 4 3HB LYS 4 -14.750 -12.840 -1.191
30 HG2 LYS 4 2HG LYS 4 -13.816 -10.970 -0.126
31 HG3 LYS 4 3HG LYS 4 -12.504 -12.129 0.083
32 HD2 LYS 4 2HD LYS 4 -11.464 -11.213 -2.034
33 HD3 LYS 4 3HD LYS 4 -12.721 -9.978 -2.056
34 HE2 LYS 4 2HE LYS 4 -10.735 -10.430 0.193
35 HE3 LYS 4 3HE LYS 4 -10.665 -9.129 -0.995
36 HZ1 LYS 4 3HZ LYS 4 -12.735 -9.583 1.073
37 HZ2 LYS 4 1HZ LYS 4 -12.943 -8.499 -0.215
38 HZ3 LYS 4 2HZ LYS 4 -11.695 -8.248 0.912
39 H GLU 5 H GLU 5 -12.374 -16.300 -1.683
40 HA GLU 5 HA GLU 5 -13.699 -16.903 0.803
41 HB2 GLU 5 2HB GLU 5 -13.123 -18.575 -1.014
42 HB3 GLU 5 3HB GLU 5 -11.441 -18.452 -0.502
43 HG2 GLU 5 2HG GLU 5 -12.371 -20.372 0.614
44 HG3 GLU 5 3HG GLU 5 -12.205 -19.110 1.830
45 H LYS 6 H LYS 6 -12.860 -16.976 2.897
46 HA LYS 6 HA LYS 6 -11.463 -16.266 4.650
47 HB2 LYS 6 2HB LYS 6 -9.529 -17.564 2.714
48 HB3 LYS 6 3HB LYS 6 -9.008 -16.998 4.296
49 HG2 LYS 6 2HG LYS 6 -11.389 -18.865 4.073
50 HG3 LYS 6 3HG LYS 6 -9.754 -19.513 4.016
51 HD2 LYS 6 2HD LYS 6 -9.255 -18.460 6.201
52 HD3 LYS 6 3HD LYS 6 -10.894 -17.820 6.273
53 HE2 LYS 6 2HE LYS 6 -11.804 -20.100 6.211
54 HE3 LYS 6 3HE LYS 6 -10.170 -20.757 6.113
55 HZ1 LYS 6 3HZ LYS 6 -10.484 -20.847 8.345
56 HZ2 LYS 6 1HZ LYS 6 -11.551 -19.529 8.377
57 HZ3 LYS 6 2HZ LYS 6 -9.879 -19.262 8.241
58 H HIS 7 H HIS 7 -8.922 -15.181 4.728
59 HA HIS 7 HA HIS 7 -8.777 -12.949 2.782
60 HB2 HIS 7 2HB HIS 7 -10.388 -12.224 4.587
61 HB3 HIS 7 3HB HIS 7 -9.087 -12.417 5.759
62 HD1 HIS 7 HD1 HIS 7 -10.087 -10.339 2.767
63 HD2 HIS 7 HD2 HIS 7 -7.176 -10.352 5.749
64 HE1 HIS 7 HE1 HIS 7 -8.888 -8.112 2.608
65 HA PRO 8 HA PRO 8 -4.761 -14.708 4.516
66 HB2 PRO 8 2HB PRO 8 -3.972 -14.518 1.634
67 HB3 PRO 8 3HB PRO 8 -3.770 -15.868 2.761
68 HG2 PRO 8 2HG PRO 8 -5.603 -15.937 0.795
69 HG3 PRO 8 3HG PRO 8 -5.901 -16.686 2.378
70 HD2 PRO 8 2HD PRO 8 -6.972 -14.077 1.306
71 HD3 PRO 8 3HD PRO 8 -7.771 -15.286 2.328
72 H LEU 9 H LEU 9 -2.968 -13.421 5.017
73 HA LEU 9 HA LEU 9 -3.140 -10.585 4.613
74 HB2 LEU 9 2HB LEU 9 -0.806 -12.335 5.443
75 HB3 LEU 9 3HB LEU 9 -0.805 -10.580 5.548
76 HG LEU 9 HG LEU 9 -2.857 -12.345 6.932
77 HD11 LEU 9 1HD1 LEU 9 -0.621 -12.807 7.827
78 HD12 LEU 9 2HD1 LEU 9 -1.561 -11.891 9.005
79 HD13 LEU 9 3HD1 LEU 9 -0.325 -11.082 8.039
80 HD21 LEU 9 3HD2 LEU 9 -3.803 -10.173 6.799
81 HD22 LEU 9 1HD2 LEU 9 -2.242 -9.370 6.973
82 HD23 LEU 9 2HD2 LEU 9 -3.002 -10.138 8.365
83 H GLN 10 H GLN 10 -1.145 -13.103 3.073
84 HA GLN 10 HA GLN 10 0.336 -11.322 1.383
85 HB2 GLN 10 2HB GLN 10 0.923 -13.729 1.879
86 HB3 GLN 10 3HB GLN 10 -0.396 -14.214 0.812
87 HG2 GLN 10 2HG GLN 10 0.664 -12.980 -1.054
88 HG3 GLN 10 3HG GLN 10 1.981 -12.514 0.018
89 HE21 GLN 10 1HE2 GLN 10 3.717 -13.718 -0.825
90 HE22 GLN 10 2HE2 GLN 10 3.707 -15.408 -0.987
91 H ASP 11 H ASP 11 -2.645 -13.201 0.830
92 HA ASP 11 HA ASP 11 -3.030 -12.317 -1.876
93 HB2 ASP 11 2HB ASP 11 -4.163 -14.298 -0.800
94 HB3 ASP 11 3HB ASP 11 -5.166 -13.160 0.094
95 H MET 12 H MET 12 -3.840 -10.941 1.257
96 HA MET 12 HA MET 12 -5.786 -9.043 0.418
97 HB2 MET 12 2HB MET 12 -5.210 -9.629 2.796
98 HB3 MET 12 3HB MET 12 -3.719 -8.706 2.614
99 HG2 MET 12 2HG MET 12 -5.048 -6.679 2.086
100 HG3 MET 12 3HG MET 12 -6.532 -7.610 2.294
101 HE1 MET 12 3HE MET 12 -7.689 -6.385 4.370
102 HE2 MET 12 1HE MET 12 -6.563 -5.236 3.642
103 HE3 MET 12 2HE MET 12 -6.646 -5.400 5.391
104 H PHE 13 H PHE 13 -2.362 -8.312 1.204
105 HA PHE 13 HA PHE 13 -2.406 -5.789 -0.148
106 HB2 PHE 13 2HB PHE 13 -0.086 -7.590 0.610
107 HB3 PHE 13 3HB PHE 13 0.107 -5.952 -0.011
108 HD1 PHE 13 HD2 PHE 13 -0.875 -4.010 1.247
109 HD2 PHE 13 HD1 PHE 13 -0.701 -7.967 2.914
110 HE1 PHE 13 HE2 PHE 13 -1.225 -3.072 3.517
111 HE2 PHE 13 HE1 PHE 13 -1.052 -7.026 5.181
112 HZ PHE 13 HZ PHE 13 -1.313 -4.579 5.482
113 H THR 14 H THR 14 -1.313 -9.016 -1.226
114 HA THR 14 HA THR 14 -0.228 -8.183 -3.716
115 HB THR 14 HB THR 14 -1.612 -10.792 -3.023
116 HG1 THR 14 HG1 THR 14 1.084 -9.939 -2.910
117 HG21 THR 14 3HG2 THR 14 0.236 -10.006 -5.293
118 HG22 THR 14 1HG2 THR 14 -1.410 -10.628 -5.420
119 HG23 THR 14 2HG2 THR 14 -0.115 -11.678 -4.855
120 H SER 15 H SER 15 -3.553 -9.237 -2.911
121 HA SER 15 HA SER 15 -4.586 -9.013 -5.554
122 HB2 SER 15 2HB SER 15 -5.981 -8.630 -2.895
123 HB3 SER 15 3HB SER 15 -6.807 -8.811 -4.441
124 HG SER 15 HG SER 15 -6.127 -10.727 -2.890
125 H ALA 16 H ALA 16 -4.464 -6.598 -2.919
126 HA ALA 16 HA ALA 16 -5.792 -4.545 -4.455
127 HB1 ALA 16 3HB ALA 16 -4.901 -3.011 -2.694
128 HB2 ALA 16 1HB ALA 16 -3.978 -4.362 -2.037
129 HB3 ALA 16 2HB ALA 16 -5.740 -4.412 -2.028
130 H ILE 17 H ILE 17 -2.350 -5.235 -3.810
131 HA ILE 17 HA ILE 17 -1.318 -2.951 -5.182
132 HB ILE 17 HB ILE 17 -0.140 -5.691 -4.641
133 HG12 ILE 17 2HG1 ILE 17 0.499 -3.024 -3.338
134 HG13 ILE 17 3HG1 ILE 17 -0.741 -4.098 -2.706
135 HG21 ILE 17 1HG2 ILE 17 1.119 -4.820 -6.502
136 HG22 ILE 17 2HG2 ILE 17 2.075 -4.510 -5.063
137 HG23 ILE 17 3HG2 ILE 17 1.154 -3.202 -5.799
138 HD11 ILE 17 3HD1 ILE 17 2.205 -4.731 -3.043
139 HD12 ILE 17 1HD1 ILE 17 0.991 -5.917 -2.561
140 HD13 ILE 17 2HD1 ILE 17 1.333 -4.537 -1.521
141 H GLU 18 H GLU 18 -1.950 -6.275 -6.324
142 HA GLU 18 HA GLU 18 -1.025 -5.785 -9.002
143 HB2 GLU 18 2HB GLU 18 -2.922 -7.864 -7.871
144 HB3 GLU 18 3HB GLU 18 -2.323 -7.878 -9.532
145 HG2 GLU 18 2HG GLU 18 -0.019 -8.031 -8.747
146 HG3 GLU 18 3HG GLU 18 -0.549 -7.899 -7.072
147 H ALA 19 H ALA 19 -4.181 -5.440 -7.433
148 HA ALA 19 HA ALA 19 -5.705 -5.050 -9.826
149 HB1 ALA 19 3HB ALA 19 -7.416 -4.134 -8.375
150 HB2 ALA 19 1HB ALA 19 -6.237 -3.840 -7.098
151 HB3 ALA 19 2HB ALA 19 -6.660 -5.493 -7.545
152 H VAL 20 H VAL 20 -3.894 -2.786 -7.762
153 HA VAL 20 HA VAL 20 -4.628 -0.521 -9.577
154 HB VAL 20 HB VAL 20 -3.787 0.937 -7.866
155 HG11 VAL 20 1HG1 VAL 20 -5.239 -1.368 -6.533
156 HG12 VAL 20 2HG1 VAL 20 -6.016 -0.107 -7.490
157 HG13 VAL 20 3HG1 VAL 20 -5.207 0.306 -5.978
158 HG21 VAL 20 3HG2 VAL 20 -2.625 -1.589 -6.653
159 HG22 VAL 20 1HG2 VAL 20 -2.801 -0.095 -5.729
160 HG23 VAL 20 2HG2 VAL 20 -1.767 -0.137 -7.155
161 H ALA 21 H ALA 21 -2.371 -2.895 -9.604
162 HA ALA 21 HA ALA 21 0.071 -1.405 -10.000
163 HB1 ALA 21 3HB ALA 21 -0.789 -4.202 -10.798
164 HB2 ALA 21 1HB ALA 21 0.265 -3.743 -9.464
165 HB3 ALA 21 2HB ALA 21 0.827 -3.572 -11.122
166 H ARG 22 H ARG 22 -2.578 -0.898 -11.661
167 HA ARG 22 HA ARG 22 -2.250 -1.463 -14.363
168 HB2 ARG 22 2HB ARG 22 -3.292 1.051 -13.035
169 HB3 ARG 22 3HB ARG 22 -3.382 0.802 -14.778
170 HG2 ARG 22 2HG ARG 22 -4.669 -1.243 -14.468
171 HG3 ARG 22 3HG ARG 22 -4.493 -1.131 -12.718
172 HD2 ARG 22 2HD ARG 22 -6.714 -0.268 -13.929
173 HD3 ARG 22 3HD ARG 22 -6.081 0.566 -12.512
174 HE ARG 22 HE ARG 22 -4.845 1.967 -14.475
175 HH11 ARG 22 1HH2 ARG 22 -8.108 0.783 -14.316
176 HH12 ARG 22 2HH2 ARG 22 -8.780 2.153 -15.137
177 HH21 ARG 22 1HH1 ARG 22 -5.738 3.777 -15.503
178 HH22 ARG 22 2HH1 ARG 22 -7.443 3.834 -15.794
179 H ASP 23 H ASP 23 -1.508 -0.028 -16.131
180 HA ASP 23 HA ASP 23 1.242 0.381 -16.112
181 HB2 ASP 23 2HB ASP 23 -0.895 1.812 -17.717
182 HB3 ASP 23 3HB ASP 23 0.830 1.934 -18.067
183 H SER 24 H SER 24 2.052 1.478 -14.325
184 HA SER 24 HA SER 24 2.022 4.382 -14.457
185 HB2 SER 24 2HB SER 24 0.866 3.162 -11.928
186 HB3 SER 24 3HB SER 24 0.959 4.868 -12.362
187 HG SER 24 HG SER 24 -1.122 4.003 -12.734
188 H GLY 25 H GLY 25 2.444 2.066 -11.755
189 HA2 GLY 25 2HA GLY 25 5.134 1.530 -11.837
190 HA3 GLY 25 3HA GLY 25 5.105 3.170 -11.182
191 H TRP 26 H TRP 26 5.235 0.033 -10.259
192 HA TRP 26 HA TRP 26 4.692 -1.147 -8.281
193 HB2 TRP 26 2HB TRP 26 5.220 1.676 -7.293
194 HB3 TRP 26 3HB TRP 26 5.063 0.291 -6.217
195 HD1 TRP 26 HD1 TRP 26 7.088 0.982 -9.467
196 HE1 TRP 26 HE1 TRP 26 9.480 0.086 -9.104
197 HE3 TRP 26 HE3 TRP 26 6.655 -0.790 -4.699
198 HZ2 TRP 26 HZ2 TRP 26 11.005 -1.205 -7.062
199 HZ3 TRP 26 HZ3 TRP 26 8.590 -1.847 -3.568
200 HH2 TRP 26 HH2 TRP 26 10.764 -2.054 -4.743
201 H ALA 27 H ALA 27 3.416 1.056 -6.199
202 HA ALA 27 HA ALA 27 0.691 1.276 -7.156
203 HB1 ALA 27 3HB ALA 27 1.387 -0.896 -5.161
204 HB2 ALA 27 1HB ALA 27 0.517 -1.071 -6.684
205 HB3 ALA 27 2HB ALA 27 -0.245 -0.249 -5.323
206 H GLU 28 H GLU 28 0.159 3.210 -6.260
207 HA GLU 28 HA GLU 28 1.551 4.371 -4.053
208 HB2 GLU 28 2HB GLU 28 -1.159 5.017 -5.249
209 HB3 GLU 28 3HB GLU 28 -0.351 6.021 -4.045
210 HG2 GLU 28 2HG GLU 28 1.553 6.345 -5.539
211 HG3 GLU 28 3HG GLU 28 0.832 5.267 -6.733
212 H LEU 29 H LEU 29 1.270 4.147 -1.893
213 HA LEU 29 HA LEU 29 -0.237 2.087 -0.753
214 HB2 LEU 29 2HB LEU 29 1.616 3.242 0.408
215 HB3 LEU 29 3HB LEU 29 0.637 4.700 0.528
216 HG LEU 29 HG LEU 29 -0.996 3.503 1.950
217 HD11 LEU 29 1HD1 LEU 29 0.829 1.154 1.388
218 HD12 LEU 29 2HD1 LEU 29 -0.934 1.231 1.312
219 HD13 LEU 29 3HD1 LEU 29 -0.125 1.212 2.871
220 HD21 LEU 29 3HD2 LEU 29 0.868 4.689 3.010
221 HD22 LEU 29 1HD2 LEU 29 1.891 3.259 2.853
222 HD23 LEU 29 2HD2 LEU 29 0.492 3.227 3.927
223 H SER 30 H SER 30 -1.145 5.473 -1.285
224 HA SER 30 HA SER 30 -3.593 5.470 0.156
225 HB2 SER 30 2HB SER 30 -2.796 7.568 -0.673
226 HB3 SER 30 3HB SER 30 -2.678 6.953 -2.319
227 HG SER 30 HG SER 30 -4.778 8.062 -1.043
228 H ALA 31 H ALA 31 -2.881 4.526 -3.207
229 HA ALA 31 HA ALA 31 -5.580 3.908 -3.925
230 HB1 ALA 31 3HB ALA 31 -4.582 2.621 -5.766
231 HB2 ALA 31 1HB ALA 31 -3.009 2.688 -4.971
232 HB3 ALA 31 2HB ALA 31 -3.754 4.167 -5.579
233 H VAL 32 H VAL 32 -3.007 1.966 -2.417
234 HA VAL 32 HA VAL 32 -4.349 -0.555 -2.535
235 HB VAL 32 HB VAL 32 -2.377 0.541 -0.499
236 HG11 VAL 32 1HG1 VAL 32 -3.444 -1.373 0.496
237 HG12 VAL 32 2HG1 VAL 32 -1.892 -1.924 -0.118
238 HG13 VAL 32 3HG1 VAL 32 -3.369 -2.276 -1.013
239 HG21 VAL 32 3HG2 VAL 32 -1.972 -1.217 -2.943
240 HG22 VAL 32 1HG2 VAL 32 -0.707 -0.660 -1.845
241 HG23 VAL 32 2HG2 VAL 32 -1.576 0.500 -2.851
242 H GLY 33 H GLY 33 -4.260 1.903 0.069
243 HA2 GLY 33 2HA GLY 33 -6.058 0.524 1.811
244 HA3 GLY 33 3HA GLY 33 -5.741 2.258 1.862
245 H SER 34 H SER 34 -6.686 3.116 -0.576
246 HA SER 34 HA SER 34 -9.507 3.225 -0.145
247 HB2 SER 34 2HB SER 34 -7.937 3.809 -2.672
248 HB3 SER 34 3HB SER 34 -9.598 4.307 -2.365
249 HG SER 34 HG SER 34 -8.551 6.010 -1.621
250 H TYR 35 H TYR 35 -7.557 1.308 -2.431
251 HA TYR 35 HA TYR 35 -9.734 0.092 -3.804
252 HB2 TYR 35 2HB TYR 35 -7.418 -0.030 -4.622
253 HB3 TYR 35 3HB TYR 35 -6.967 -1.014 -3.229
254 HD1 TYR 35 HD2 TYR 35 -8.823 -0.952 -6.419
255 HD2 TYR 35 HD1 TYR 35 -7.697 -3.351 -3.034
256 HE1 TYR 35 HE2 TYR 35 -9.547 -2.999 -7.626
257 HE2 TYR 35 HE1 TYR 35 -8.424 -5.393 -4.242
258 HH TYR 35 HH TYR 35 -9.988 -5.976 -6.087
259 H LEU 36 H LEU 36 -7.926 -0.980 -0.921
260 HA LEU 36 HA LEU 36 -9.329 -3.435 -0.552
261 HB2 LEU 36 2HB LEU 36 -7.968 -1.578 1.421
262 HB3 LEU 36 3HB LEU 36 -8.572 -3.169 1.865
263 HG LEU 36 HG LEU 36 -6.621 -2.820 -0.446
264 HD11 LEU 36 1HD1 LEU 36 -5.969 -3.244 2.487
265 HD12 LEU 36 2HD1 LEU 36 -5.556 -1.829 1.526
266 HD13 LEU 36 3HD1 LEU 36 -4.812 -3.389 1.165
267 HD21 LEU 36 3HD2 LEU 36 -7.398 -5.147 1.362
268 HD22 LEU 36 1HD2 LEU 36 -6.030 -5.197 0.251
269 HD23 LEU 36 2HD2 LEU 36 -7.664 -5.018 -0.378
270 H ALA 37 H ALA 37 -9.996 -0.153 0.633
271 HA ALA 37 HA ALA 37 -12.188 -0.779 2.316
272 HB1 ALA 37 3HB ALA 37 -11.927 1.670 0.548
273 HB2 ALA 37 1HB ALA 37 -11.126 1.484 2.109
274 HB3 ALA 37 2HB ALA 37 -12.888 1.534 2.022
275 H LYS 38 H LYS 38 -12.137 -0.088 -1.183
276 HA LYS 38 HA LYS 38 -14.964 -0.375 -1.580
277 HB2 LYS 38 2HB LYS 38 -13.391 0.696 -3.198
278 HB3 LYS 38 3HB LYS 38 -12.723 -0.894 -3.558
279 HG2 LYS 38 2HG LYS 38 -14.889 -1.679 -4.355
280 HG3 LYS 38 3HG LYS 38 -15.653 -0.163 -3.890
281 HD2 LYS 38 2HD LYS 38 -13.309 -0.088 -5.812
282 HD3 LYS 38 3HD LYS 38 -14.891 -0.571 -6.417
283 HE2 LYS 38 2HE LYS 38 -14.357 2.017 -4.919
284 HE3 LYS 38 3HE LYS 38 -14.472 1.872 -6.669
285 HZ1 LYS 38 3HZ LYS 38 -16.606 2.438 -6.075
286 HZ2 LYS 38 1HZ LYS 38 -16.571 1.532 -4.641
287 HZ3 LYS 38 2HZ LYS 38 -16.711 0.742 -6.138
288 H ASN 39 H ASN 39 -12.259 -2.690 -1.934
289 HA ASN 39 HA ASN 39 -13.885 -4.887 -2.798
290 HB2 ASN 39 2HB ASN 39 -11.179 -4.729 -1.440
291 HB3 ASN 39 3HB ASN 39 -11.898 -6.272 -1.905
292 HD21 ASN 39 1HD2 ASN 39 -11.946 -3.118 -3.654
293 HD22 ASN 39 2HD2 ASN 39 -11.204 -3.718 -5.058
294 H ASP 40 H ASP 40 -12.867 -3.820 0.445
295 HA ASP 40 HA ASP 40 -14.345 -6.048 1.717
296 HB2 ASP 40 2HB ASP 40 -12.922 -5.636 3.498
297 HB3 ASP 40 3HB ASP 40 -12.082 -4.544 2.414
298 HA PRO 41 HA PRO 41 -18.132 -3.835 2.340
299 HB2 PRO 41 2HB PRO 41 -18.779 -4.383 4.990
300 HB3 PRO 41 3HB PRO 41 -18.971 -5.550 3.669
301 HG2 PRO 41 2HG PRO 41 -16.719 -5.287 5.636
302 HG3 PRO 41 3HG PRO 41 -17.555 -6.751 5.073
303 HD2 PRO 41 2HD PRO 41 -15.152 -6.064 4.052
304 HD3 PRO 41 3HD PRO 41 -16.401 -6.779 3.012
305 H SER 42 H SER 42 -15.713 -3.297 4.907
306 HA SER 42 HA SER 42 -15.856 -0.427 4.605
307 HB2 SER 42 2HB SER 42 -17.207 -1.653 7.025
308 HB3 SER 42 3HB SER 42 -16.686 0.028 6.964
309 HG SER 42 HG SER 42 -18.648 -1.303 5.434
310 H PHE 43 H PHE 43 -13.562 -1.194 4.394
311 HA PHE 43 HA PHE 43 -12.104 -2.339 6.551
312 HB2 PHE 43 2HB PHE 43 -11.283 -2.033 4.154
313 HB3 PHE 43 3HB PHE 43 -10.977 -0.350 4.554
314 HD1 PHE 43 HD1 PHE 43 -10.338 -3.779 5.977
315 HD2 PHE 43 HD2 PHE 43 -8.770 0.170 5.288
316 HE1 PHE 43 HE1 PHE 43 -8.180 -4.452 6.981
317 HE2 PHE 43 HE2 PHE 43 -6.615 -0.516 6.293
318 HZ PHE 43 HZ PHE 43 -6.319 -2.825 7.140
319 H ASP 44 H ASP 44 -10.332 -1.108 7.755
320 HA ASP 44 HA ASP 44 -11.330 1.561 8.746
321 HB2 ASP 44 2HB ASP 44 -10.181 -0.756 10.332
322 HB3 ASP 44 3HB ASP 44 -10.527 0.843 10.987
323 HA PRO 45 HA PRO 45 -6.846 1.674 7.476
324 HB2 PRO 45 2HB PRO 45 -6.933 3.931 5.910
325 HB3 PRO 45 3HB PRO 45 -7.282 2.308 5.289
326 HG2 PRO 45 2HG PRO 45 -9.174 4.494 6.027
327 HG3 PRO 45 3HG PRO 45 -9.293 3.286 4.733
328 HD2 PRO 45 2HD PRO 45 -10.649 3.124 7.179
329 HD3 PRO 45 3HD PRO 45 -10.330 1.732 6.128
330 H ARG 46 H ARG 46 -9.026 4.015 8.850
331 HA ARG 46 HA ARG 46 -7.058 5.946 9.734
332 HB2 ARG 46 2HB ARG 46 -9.779 5.187 10.842
333 HB3 ARG 46 3HB ARG 46 -8.821 6.543 11.442
334 HG2 ARG 46 2HG ARG 46 -8.933 7.672 9.312
335 HG3 ARG 46 3HG ARG 46 -9.672 6.268 8.547
336 HD2 ARG 46 2HD ARG 46 -11.637 6.485 10.020
337 HD3 ARG 46 3HD ARG 46 -10.888 7.842 10.836
338 HE ARG 46 HE ARG 46 -11.722 9.214 9.153
339 HH11 ARG 46 1HH2 ARG 46 -11.077 6.138 7.713
340 HH12 ARG 46 2HH2 ARG 46 -12.176 6.382 6.410
341 HH21 ARG 46 1HH1 ARG 46 -13.215 9.491 7.493
342 HH22 ARG 46 2HH1 ARG 46 -13.400 8.254 6.293
343 H ASN 47 H ASN 47 -8.427 2.980 11.087
344 HA ASN 47 HA ASN 47 -7.234 3.126 13.671
345 HB2 ASN 47 2HB ASN 47 -8.992 1.471 13.094
346 HB3 ASN 47 3HB ASN 47 -7.854 0.647 12.030
347 HD21 ASN 47 1HD2 ASN 47 -7.875 -1.326 13.353
348 HD22 ASN 47 2HD2 ASN 47 -7.125 -1.370 14.876
349 H TRP 48 H TRP 48 -6.009 1.910 10.564
350 HA TRP 48 HA TRP 48 -3.476 1.053 11.821
351 HB2 TRP 48 2HB TRP 48 -4.262 1.134 8.899
352 HB3 TRP 48 3HB TRP 48 -2.861 0.311 9.588
353 HD1 TRP 48 HD1 TRP 48 -6.354 -0.310 8.664
354 HE1 TRP 48 HE1 TRP 48 -7.214 -2.514 9.679
355 HE3 TRP 48 HE3 TRP 48 -2.634 -1.228 12.038
356 HZ2 TRP 48 HZ2 TRP 48 -6.428 -4.413 11.666
357 HZ3 TRP 48 HZ3 TRP 48 -2.715 -3.240 13.481
358 HH2 TRP 48 HH2 TRP 48 -4.608 -4.833 13.298
359 H GLY 49 H GLY 49 -4.689 3.968 11.169
360 HA2 GLY 49 2HA GLY 49 -3.711 6.077 10.848
361 HA3 GLY 49 3HA GLY 49 -2.154 5.298 11.137
362 H HIS 50 H HIS 50 -3.683 7.078 8.890
363 HA HIS 50 HA HIS 50 -3.283 5.663 6.444
364 HB2 HIS 50 2HB HIS 50 -4.601 7.788 6.693
365 HB3 HIS 50 3HB HIS 50 -3.080 8.658 6.887
366 HD1 HIS 50 HD1 HIS 50 -1.522 8.838 4.796
367 HD2 HIS 50 HD2 HIS 50 -5.160 6.950 4.041
368 HE1 HIS 50 HE1 HIS 50 -1.755 8.714 2.276
369 H GLY 51 H GLY 51 -1.036 6.889 8.692
370 HA2 GLY 51 2HA GLY 51 1.191 6.931 6.657
371 HA3 GLY 51 3HA GLY 51 1.203 7.826 8.174
372 H ARG 52 H ARG 52 0.290 5.885 9.936
373 HA ARG 52 HA ARG 52 2.693 4.396 10.428
374 HB2 ARG 52 2HB ARG 52 0.937 5.210 12.113
375 HB3 ARG 52 3HB ARG 52 -0.040 3.832 11.619
376 HG2 ARG 52 2HG ARG 52 1.923 2.348 12.220
377 HG3 ARG 52 3HG ARG 52 2.717 3.777 12.885
378 HD2 ARG 52 2HD ARG 52 1.560 2.612 14.698
379 HD3 ARG 52 3HD ARG 52 0.738 4.135 14.369
380 HE ARG 52 HE ARG 52 -1.015 2.915 13.201
381 HH11 ARG 52 1HH2 ARG 52 1.119 0.950 15.100
382 HH12 ARG 52 2HH2 ARG 52 0.278 -0.511 14.721
383 HH21 ARG 52 1HH1 ARG 52 -2.052 1.033 12.716
384 HH22 ARG 52 2HH1 ARG 52 -1.507 -0.468 13.372
385 H LEU 53 H LEU 53 0.081 3.850 8.337
386 HA LEU 53 HA LEU 53 -0.145 1.001 8.421
387 HB2 LEU 53 2HB LEU 53 -1.782 2.369 7.212
388 HB3 LEU 53 3HB LEU 53 -0.527 2.965 6.131
389 HG LEU 53 HG LEU 53 -0.205 0.694 5.218
390 HD11 LEU 53 1HD1 LEU 53 -0.706 -0.785 7.012
391 HD12 LEU 53 2HD1 LEU 53 -2.025 -1.027 5.875
392 HD13 LEU 53 3HD1 LEU 53 -2.272 -0.032 7.310
393 HD21 LEU 53 3HD2 LEU 53 -1.888 2.207 4.217
394 HD22 LEU 53 1HD2 LEU 53 -3.120 1.539 5.286
395 HD23 LEU 53 2HD2 LEU 53 -2.368 0.518 4.060
396 H SER 54 H SER 54 1.996 3.198 6.618
397 HA SER 54 HA SER 54 3.328 1.185 5.088
398 HB2 SER 54 2HB SER 54 5.129 2.877 4.843
399 HB3 SER 54 3HB SER 54 3.537 3.583 4.571
400 HG SER 54 HG SER 54 4.512 4.936 5.976
401 H GLN 55 H GLN 55 3.917 2.503 8.321
402 HA GLN 55 HA GLN 55 6.358 0.989 8.752
403 HB2 GLN 55 2HB GLN 55 4.455 2.478 10.581
404 HB3 GLN 55 3HB GLN 55 5.844 1.596 11.214
405 HG2 GLN 55 2HG GLN 55 6.349 4.002 10.841
406 HG3 GLN 55 3HG GLN 55 7.364 2.950 9.859
407 HE21 GLN 55 1HE2 GLN 55 4.327 4.874 9.661
408 HE22 GLN 55 2HE2 GLN 55 4.472 5.213 8.005
409 H MET 56 H MET 56 2.914 0.363 9.240
410 HA MET 56 HA MET 56 3.210 -1.871 11.012
411 HB2 MET 56 2HB MET 56 1.054 -0.637 10.501
412 HB3 MET 56 3HB MET 56 1.022 -1.469 8.947
413 HG2 MET 56 2HG MET 56 -0.349 -2.753 10.444
414 HG3 MET 56 3HG MET 56 1.149 -3.663 10.249
415 HE1 MET 56 3HE MET 56 0.438 -4.487 13.894
416 HE2 MET 56 1HE MET 56 1.172 -5.064 12.391
417 HE3 MET 56 2HE MET 56 -0.510 -4.542 12.410
418 H VAL 57 H VAL 57 2.918 -1.705 7.452
419 HA VAL 57 HA VAL 57 3.254 -4.566 7.104
420 HB VAL 57 HB VAL 57 3.541 -3.983 4.696
421 HG11 VAL 57 1HG1 VAL 57 1.299 -3.077 4.387
422 HG12 VAL 57 2HG1 VAL 57 1.293 -2.451 6.037
423 HG13 VAL 57 3HG1 VAL 57 1.285 -4.192 5.752
424 HG21 VAL 57 3HG2 VAL 57 4.770 -1.883 4.939
425 HG22 VAL 57 1HG2 VAL 57 3.401 -1.145 5.764
426 HG23 VAL 57 2HG2 VAL 57 3.274 -1.578 4.062
427 H LYS 58 H LYS 58 5.406 -1.943 7.634
428 HA LYS 58 HA LYS 58 7.747 -2.894 6.312
429 HB2 LYS 58 2HB LYS 58 7.459 -0.610 7.327
430 HB3 LYS 58 3HB LYS 58 7.627 -1.351 8.917
431 HG2 LYS 58 2HG LYS 58 9.862 -2.155 8.353
432 HG3 LYS 58 3HG LYS 58 9.698 -1.526 6.711
433 HD2 LYS 58 2HD LYS 58 9.465 0.764 7.618
434 HD3 LYS 58 3HD LYS 58 9.666 0.131 9.252
435 HE2 LYS 58 2HE LYS 58 11.715 -0.195 7.041
436 HE3 LYS 58 3HE LYS 58 11.784 1.059 8.279
437 HZ1 LYS 58 3HZ LYS 58 11.357 -1.521 9.407
438 HZ2 LYS 58 1HZ LYS 58 12.560 -0.381 9.757
439 HZ3 LYS 58 2HZ LYS 58 12.781 -1.479 8.481
440 H LYS 59 H LYS 59 6.218 -3.845 9.322
441 HA LYS 59 HA LYS 59 8.525 -5.292 10.351
442 HB2 LYS 59 2HB LYS 59 5.566 -5.483 10.998
443 HB3 LYS 59 3HB LYS 59 6.844 -6.293 11.906
444 HG2 LYS 59 2HG LYS 59 7.872 -4.112 12.417
445 HG3 LYS 59 3HG LYS 59 6.602 -3.296 11.504
446 HD2 LYS 59 2HD LYS 59 4.902 -4.171 13.039
447 HD3 LYS 59 3HD LYS 59 6.142 -5.050 13.936
448 HE2 LYS 59 2HE LYS 59 5.617 -2.955 15.092
449 HE3 LYS 59 3HE LYS 59 7.260 -2.890 14.455
450 HZ1 LYS 59 3HZ LYS 59 6.706 -1.350 12.918
451 HZ2 LYS 59 1HZ LYS 59 5.508 -0.967 14.054
452 HZ3 LYS 59 2HZ LYS 59 5.125 -1.939 12.715
453 H LEU 60 H LEU 60 6.619 -5.824 7.689
454 HA LEU 60 HA LEU 60 6.643 -8.819 7.906
455 HB2 LEU 60 2HB LEU 60 5.424 -7.083 5.737
456 HB3 LEU 60 3HB LEU 60 5.129 -8.797 6.031
457 HG LEU 60 HG LEU 60 4.406 -6.528 7.912
458 HD11 LEU 60 1HD1 LEU 60 2.670 -8.340 6.211
459 HD12 LEU 60 2HD1 LEU 60 2.991 -6.633 5.902
460 HD13 LEU 60 3HD1 LEU 60 2.084 -7.113 7.335
461 HD21 LEU 60 3HD2 LEU 60 4.179 -9.543 8.143
462 HD22 LEU 60 1HD2 LEU 60 3.086 -8.481 9.033
463 HD23 LEU 60 2HD2 LEU 60 4.819 -8.393 9.320
464 H ASP 61 H ASP 61 8.393 -9.806 7.069
465 HA ASP 61 HA ASP 61 10.318 -8.410 5.406
466 HB2 ASP 61 2HB ASP 61 11.467 -10.614 5.338
467 HB3 ASP 61 3HB ASP 61 11.051 -10.123 6.976
468 H PHE 62 H PHE 62 7.795 -10.846 4.716
469 HA PHE 62 HA PHE 62 8.683 -11.276 1.998
470 HB2 PHE 62 2HB PHE 62 6.588 -12.486 1.696
471 HB3 PHE 62 3HB PHE 62 7.313 -12.917 3.243
472 HD1 PHE 62 HD1 PHE 62 6.394 -12.022 5.367
473 HD2 PHE 62 HD2 PHE 62 4.493 -11.257 1.592
474 HE1 PHE 62 HE1 PHE 62 4.331 -11.317 6.546
475 HE2 PHE 62 HE2 PHE 62 2.432 -10.550 2.774
476 HZ PHE 62 HZ PHE 62 2.352 -10.578 5.251
477 H LEU 63 H LEU 63 7.991 -8.423 2.991
478 HA LEU 63 HA LEU 63 6.482 -7.638 0.524
479 HB2 LEU 63 2HB LEU 63 5.884 -6.862 3.388
480 HB3 LEU 63 3HB LEU 63 5.420 -5.798 2.066
481 HG LEU 63 HG LEU 63 4.631 -8.723 1.956
482 HD11 LEU 63 1HD1 LEU 63 2.480 -8.115 3.065
483 HD12 LEU 63 2HD1 LEU 63 3.171 -6.545 3.481
484 HD13 LEU 63 3HD1 LEU 63 3.864 -8.019 4.155
485 HD21 LEU 63 3HD2 LEU 63 4.225 -7.318 -0.043
486 HD22 LEU 63 1HD2 LEU 63 3.341 -6.156 0.949
487 HD23 LEU 63 2HD2 LEU 63 2.700 -7.781 0.707
488 H THR 64 H THR 64 7.521 -6.065 -0.559
489 HA THR 64 HA THR 64 9.939 -4.826 0.636
490 HB THR 64 HB THR 64 8.746 -4.580 -2.147
491 HG1 THR 64 HG1 THR 64 10.056 -6.558 -0.936
492 HG21 THR 64 3HG2 THR 64 10.199 -2.705 -1.669
493 HG22 THR 64 1HG2 THR 64 11.087 -3.826 -2.699
494 HG23 THR 64 2HG2 THR 64 11.417 -3.769 -0.967
495 H VAL 65 H VAL 65 9.995 -2.722 1.340
496 HA VAL 65 HA VAL 65 7.635 -0.932 0.758
497 HB VAL 65 HB VAL 65 9.227 -1.131 3.331
498 HG11 VAL 65 1HG1 VAL 65 6.849 0.557 2.490
499 HG12 VAL 65 2HG1 VAL 65 8.439 1.130 2.993
500 HG13 VAL 65 3HG1 VAL 65 7.368 0.370 4.165
501 HG21 VAL 65 3HG2 VAL 65 6.437 -2.067 2.593
502 HG22 VAL 65 1HG2 VAL 65 7.048 -1.984 4.241
503 HG23 VAL 65 2HG2 VAL 65 7.796 -3.077 3.081
504 H GLN 66 H GLN 66 8.168 1.023 -0.018
505 HA GLN 66 HA GLN 66 10.791 2.257 0.537
506 HB2 GLN 66 2HB GLN 66 11.217 2.592 -1.934
507 HB3 GLN 66 3HB GLN 66 11.384 0.923 -1.396
508 HG2 GLN 66 2HG GLN 66 9.122 0.407 -2.192
509 HG3 GLN 66 3HG GLN 66 8.893 2.086 -2.682
510 HE21 GLN 66 1HE2 GLN 66 11.802 0.010 -3.100
511 HE22 GLN 66 2HE2 GLN 66 11.823 0.129 -4.794
512 H GLU 67 H GLU 67 10.782 4.526 -0.039
513 HA GLU 67 HA GLU 67 8.013 5.668 -0.335
514 HB2 GLU 67 2HB GLU 67 10.595 6.850 0.740
515 HB3 GLU 67 3HB GLU 67 9.092 7.755 0.548
516 HG2 GLU 67 2HG GLU 67 7.945 6.148 2.041
517 HG3 GLU 67 3HG GLU 67 9.465 5.282 2.257
518 H SER 68 H SER 68 7.553 6.350 -2.358
519 HA SER 68 HA SER 68 9.739 6.944 -4.270
520 HB2 SER 68 2HB SER 68 6.736 6.688 -4.493
521 HB3 SER 68 3HB SER 68 7.701 7.336 -5.817
522 HG SER 68 HG SER 68 7.466 5.098 -6.024
523 H ARG 69 H ARG 69 9.908 9.007 -5.298
524 HA ARG 69 HA ARG 69 9.279 11.250 -3.524
525 HB2 ARG 69 2HB ARG 69 10.523 12.573 -5.193
526 HB3 ARG 69 3HB ARG 69 11.421 11.134 -4.724
527 HG2 ARG 69 2HG ARG 69 10.549 9.973 -6.787
528 HG3 ARG 69 3HG ARG 69 9.787 11.488 -7.262
529 HD2 ARG 69 2HD ARG 69 11.750 12.144 -8.245
530 HD3 ARG 69 3HD ARG 69 12.526 12.117 -6.662
531 HE ARG 69 HE ARG 69 12.328 9.575 -8.224
532 HH11 ARG 69 1HH2 ARG 69 14.275 12.060 -6.740
533 HH12 ARG 69 2HH2 ARG 69 15.767 11.293 -7.159
534 HH21 ARG 69 1HH1 ARG 69 14.293 8.613 -8.758
535 HH22 ARG 69 2HH1 ARG 69 15.775 9.376 -8.287
536 H ASN 70 H ASN 70 7.611 12.686 -3.764
537 HA ASN 70 HA ASN 70 6.146 12.869 -6.338
538 HB2 ASN 70 2HB ASN 70 5.074 10.994 -5.087
539 HB3 ASN 70 3HB ASN 70 4.757 12.102 -3.754
540 HD21 ASN 70 1HD2 ASN 70 2.940 10.666 -5.862
541 HD22 ASN 70 2HD2 ASN 70 1.941 11.917 -6.421
542 H GLY 71 H GLY 71 6.781 15.060 -6.387
543 HA2 GLY 71 2HA GLY 71 6.635 17.346 -5.868
544 HA3 GLY 71 3HA GLY 71 5.088 16.946 -5.123
545 H SER 72 H SER 72 5.275 18.162 -3.246
546 HA SER 72 HA SER 72 7.717 18.002 -1.589
547 HB2 SER 72 2HB SER 72 6.431 20.131 -1.832
548 HB3 SER 72 3HB SER 72 5.065 19.364 -1.030
549 HG SER 72 HG SER 72 7.096 18.873 0.505
550 H LYS 73 H LYS 73 4.908 16.146 -1.968
551 HA LYS 73 HA LYS 73 4.917 15.218 0.896
552 HB2 LYS 73 2HB LYS 73 2.741 15.956 -0.080
553 HB3 LYS 73 3HB LYS 73 2.888 14.682 -1.291
554 HG2 LYS 73 2HG LYS 73 2.898 12.970 0.463
555 HG3 LYS 73 3HG LYS 73 2.862 14.217 1.709
556 HD2 LYS 73 2HD LYS 73 0.674 14.995 0.858
557 HD3 LYS 73 3HD LYS 73 0.711 13.734 -0.375
558 HE2 LYS 73 2HE LYS 73 0.764 12.005 1.374
559 HE3 LYS 73 3HE LYS 73 0.762 13.254 2.621
560 HZ1 LYS 73 3HZ LYS 73 -1.360 14.054 1.530
561 HZ2 LYS 73 1HZ LYS 73 -1.455 12.604 2.405
562 HZ3 LYS 73 2HZ LYS 73 -1.385 12.568 0.709
563 H LEU 74 H LEU 74 5.818 13.307 1.332
564 HA LEU 74 HA LEU 74 6.962 11.646 -0.776
565 HB2 LEU 74 2HB LEU 74 6.698 11.278 2.223
566 HB3 LEU 74 3HB LEU 74 7.515 10.115 1.193
567 HG LEU 74 HG LEU 74 8.310 13.050 1.257
568 HD11 LEU 74 1HD1 LEU 74 10.130 12.370 2.803
569 HD12 LEU 74 2HD1 LEU 74 9.432 10.754 2.903
570 HD13 LEU 74 3HD1 LEU 74 8.542 12.140 3.533
571 HD21 LEU 74 3HD2 LEU 74 9.248 11.961 -0.675
572 HD22 LEU 74 1HD2 LEU 74 9.613 10.492 0.233
573 HD23 LEU 74 2HD2 LEU 74 10.543 11.964 0.513
574 H HIS 75 H HIS 75 6.061 9.856 -1.700
575 HA HIS 75 HA HIS 75 3.340 8.985 -0.740
576 HB2 HIS 75 2HB HIS 75 4.711 9.008 -3.443
577 HB3 HIS 75 3HB HIS 75 3.363 7.911 -3.146
578 HD1 HIS 75 HD1 HIS 75 3.590 11.411 -1.724
579 HD2 HIS 75 HD2 HIS 75 1.429 9.319 -4.608
580 HE1 HIS 75 HE1 HIS 75 1.717 12.946 -2.471
581 H SER 76 H SER 76 3.340 7.114 0.346
582 HA SER 76 HA SER 76 5.668 5.364 0.414
583 HB2 SER 76 2HB SER 76 2.858 5.011 1.503
584 HB3 SER 76 3HB SER 76 4.210 3.937 1.844
585 HG SER 76 HG SER 76 3.589 6.357 2.908
586 H GLU 77 H GLU 77 5.832 3.283 -0.499
587 HA GLU 77 HA GLU 77 3.631 2.325 -2.282
588 HB2 GLU 77 2HB GLU 77 6.501 2.804 -3.143
589 HB3 GLU 77 3HB GLU 77 5.349 1.833 -4.063
590 HG2 GLU 77 2HG GLU 77 3.846 3.771 -4.239
591 HG3 GLU 77 3HG GLU 77 4.989 4.750 -3.321
592 H ILE 78 H ILE 78 3.700 0.086 -2.627
593 HA ILE 78 HA ILE 78 5.802 -1.491 -1.203
594 HB ILE 78 HB ILE 78 4.052 -2.889 -0.160
595 HG12 ILE 78 2HG1 ILE 78 2.122 -0.748 -1.132
596 HG13 ILE 78 3HG1 ILE 78 2.239 -2.357 -1.832
597 HG21 ILE 78 1HG2 ILE 78 3.457 -1.328 1.592
598 HG22 ILE 78 2HG2 ILE 78 3.673 0.044 0.506
599 HG23 ILE 78 3HG2 ILE 78 5.068 -0.904 1.016
600 HD11 ILE 78 3HD1 ILE 78 1.783 -3.288 0.487
601 HD12 ILE 78 1HD1 ILE 78 0.437 -2.428 -0.257
602 HD13 ILE 78 2HD1 ILE 78 1.408 -1.638 0.985
603 H ARG 79 H ARG 79 5.887 -3.704 -1.925
604 HA ARG 79 HA ARG 79 4.302 -4.437 -4.323
605 HB2 ARG 79 2HB ARG 79 6.297 -3.165 -5.126
606 HB3 ARG 79 3HB ARG 79 7.328 -4.366 -4.357
607 HG2 ARG 79 2HG ARG 79 6.227 -6.126 -5.773
608 HG3 ARG 79 3HG ARG 79 5.327 -4.845 -6.587
609 HD2 ARG 79 2HD ARG 79 7.338 -5.392 -7.892
610 HD3 ARG 79 3HD ARG 79 7.467 -3.766 -7.225
611 HE ARG 79 HE ARG 79 9.039 -4.587 -5.567
612 HH11 ARG 79 1HH2 ARG 79 8.285 -6.862 -8.080
613 HH12 ARG 79 2HH2 ARG 79 9.402 -8.042 -7.496
614 HH21 ARG 79 1HH1 ARG 79 10.466 -6.122 -4.825
615 HH22 ARG 79 2HH1 ARG 79 10.627 -7.633 -5.659
616 H LEU 80 H LEU 80 4.253 -6.710 -4.609
617 HA LEU 80 HA LEU 80 4.933 -8.221 -2.197
618 HB2 LEU 80 2HB LEU 80 2.867 -8.467 -3.852
619 HB3 LEU 80 3HB LEU 80 3.956 -9.505 -4.760
620 HG LEU 80 HG LEU 80 2.659 -10.894 -3.254
621 HD11 LEU 80 1HD1 LEU 80 5.169 -11.306 -3.572
622 HD12 LEU 80 2HD1 LEU 80 4.409 -12.084 -2.182
623 HD13 LEU 80 3HD1 LEU 80 5.376 -10.629 -1.953
624 HD21 LEU 80 3HD2 LEU 80 3.739 -9.657 -0.736
625 HD22 LEU 80 1HD2 LEU 80 2.189 -10.430 -1.042
626 HD23 LEU 80 2HD2 LEU 80 2.448 -8.772 -1.553
627 H ARG 81 H ARG 81 6.995 -8.819 -1.894
628 HA ARG 81 HA ARG 81 9.044 -8.966 -3.825
629 HB2 ARG 81 2HB ARG 81 9.453 -8.888 -1.389
630 HB3 ARG 81 3HB ARG 81 8.792 -10.515 -1.225
631 HG2 ARG 81 2HG ARG 81 10.604 -11.443 -2.579
632 HG3 ARG 81 3HG ARG 81 11.205 -9.824 -2.939
633 HD2 ARG 81 2HD ARG 81 10.991 -10.844 -0.094
634 HD3 ARG 81 3HD ARG 81 12.427 -11.130 -1.078
635 HE ARG 81 HE ARG 81 12.136 -8.429 -1.331
636 HH11 ARG 81 1HH2 ARG 81 11.992 -10.548 1.405
637 HH12 ARG 81 2HH2 ARG 81 12.677 -9.395 2.496
638 HH21 ARG 81 1HH1 ARG 81 13.046 -6.928 0.084
639 HH22 ARG 81 2HH1 ARG 81 13.277 -7.350 1.748
640 H HIS 82 H HIS 82 8.472 -12.035 -2.215
641 HA HIS 82 HA HIS 82 8.431 -14.205 -3.133
642 HB2 HIS 82 2HB HIS 82 6.076 -13.505 -3.437
643 HB3 HIS 82 3HB HIS 82 6.482 -12.863 -5.027
644 HD1 HIS 82 HD1 HIS 82 6.510 -14.500 -6.946
645 HD2 HIS 82 HD2 HIS 82 6.459 -16.428 -3.252
646 HE1 HIS 82 HE1 HIS 82 6.194 -16.963 -7.430
647 H ASP 83 H ASP 83 10.639 -12.805 -4.013
648 HA ASP 83 HA ASP 83 10.934 -12.601 -6.843
649 HB2 ASP 83 2HB ASP 83 12.994 -13.139 -4.680
650 HB3 ASP 83 3HB ASP 83 13.382 -12.702 -6.345
651 H GLY 84 H GLY 84 13.471 -14.571 -6.208
652 HA2 GLY 84 2HA GLY 84 13.928 -16.862 -6.579
653 HA3 GLY 84 3HA GLY 84 12.194 -17.188 -6.532
654 H LEU 85 H LEU 85 12.932 -14.618 -8.616
655 HA LEU 85 HA LEU 85 12.352 -16.303 -10.989
656 HB2 LEU 85 2HB LEU 85 12.836 -13.308 -10.896
657 HB3 LEU 85 3HB LEU 85 11.996 -14.229 -12.144
658 HG LEU 85 HG LEU 85 11.068 -13.852 -9.278
659 HD11 LEU 85 1HD1 LEU 85 10.848 -11.852 -10.727
660 HD12 LEU 85 2HD1 LEU 85 9.276 -12.516 -10.284
661 HD13 LEU 85 3HD1 LEU 85 9.937 -12.810 -11.892
662 HD21 LEU 85 3HD2 LEU 85 10.276 -16.002 -9.936
663 HD22 LEU 85 1HD2 LEU 85 9.964 -15.479 -11.592
664 HD23 LEU 85 2HD2 LEU 85 8.926 -14.923 -10.275
665 H GLU 86 H GLU 86 15.057 -15.448 -9.297
666 HA GLU 86 HA GLU 86 17.338 -15.473 -9.768
667 HB2 GLU 86 2HB GLU 86 16.632 -17.650 -10.864
668 HB3 GLU 86 3HB GLU 86 16.546 -16.777 -12.390
669 HG2 GLU 86 2HG GLU 86 18.719 -17.807 -12.291
670 HG3 GLU 86 3HG GLU 86 18.957 -16.083 -12.029
671 H HIS 87 H HIS 87 18.904 -14.206 -10.810
672 HA HIS 87 HA HIS 87 17.898 -11.865 -12.222
673 HB2 HIS 87 2HB HIS 87 19.765 -11.636 -10.667
674 HB3 HIS 87 3HB HIS 87 20.713 -12.803 -11.583
675 HD1 HIS 87 HD1 HIS 87 19.145 -9.361 -12.019
676 HD2 HIS 87 HD2 HIS 87 22.197 -11.679 -13.651
677 HE1 HIS 87 HE1 HIS 87 20.382 -7.868 -13.648
678 H HIS 88 H HIS 88 17.883 -11.522 -14.409
679 HA HIS 88 HA HIS 88 19.549 -13.179 -16.220
680 HB2 HIS 88 2HB HIS 88 17.409 -14.460 -15.864
681 HB3 HIS 88 3HB HIS 88 16.528 -13.080 -16.518
682 HD1 HIS 88 HD1 HIS 88 17.117 -12.417 -19.051
683 HD2 HIS 88 HD2 HIS 88 18.555 -16.122 -17.793
684 HE1 HIS 88 HE1 HIS 88 17.754 -13.688 -21.147
685 H HIS 89 H HIS 89 19.817 -12.179 -18.272
686 HA HIS 89 HA HIS 89 19.534 -9.310 -18.280
687 HB2 HIS 89 2HB HIS 89 20.200 -11.241 -20.524
688 HB3 HIS 89 3HB HIS 89 20.356 -9.488 -20.632
689 HD1 HIS 89 HD1 HIS 89 22.079 -8.367 -18.901
690 HD2 HIS 89 HD2 HIS 89 22.346 -12.510 -19.263
691 HE1 HIS 89 HE1 HIS 89 24.305 -9.034 -17.889
692 H HIS 90 H HIS 90 17.946 -8.048 -19.140
693 HA HIS 90 HA HIS 90 15.408 -9.277 -19.893
694 HB2 HIS 90 2HB HIS 90 15.553 -7.155 -18.600
695 HB3 HIS 90 3HB HIS 90 16.289 -6.373 -19.997
696 HD1 HIS 90 HD1 HIS 90 13.086 -8.256 -19.129
697 HD2 HIS 90 HD2 HIS 90 14.431 -5.307 -21.752
698 HE1 HIS 90 HE1 HIS 90 11.047 -7.424 -20.381
699 H HIS 91 H HIS 91 18.235 -8.543 -21.587
700 HA HIS 91 HA HIS 91 17.086 -7.653 -24.093
701 HB2 HIS 91 2HB HIS 91 19.746 -8.975 -23.479
702 HB3 HIS 91 3HB HIS 91 19.321 -8.241 -25.025
703 HD1 HIS 91 HD1 HIS 91 21.632 -6.896 -23.833
704 HD2 HIS 91 HD2 HIS 91 17.767 -5.879 -22.646
705 HE1 HIS 91 HE1 HIS 91 21.778 -4.578 -22.816
706 H HIS 92 H HIS 92 16.464 -8.854 -25.867
707 HA HIS 92 HA HIS 92 15.556 -11.546 -25.451
708 HB2 HIS 92 2HB HIS 92 14.572 -9.912 -27.087
709 HB3 HIS 92 3HB HIS 92 16.008 -10.116 -28.088
710 HD1 HIS 92 HD1 HIS 92 16.368 -12.474 -29.197
711 HD2 HIS 92 HD2 HIS 92 12.731 -12.046 -27.207
712 HE1 HIS 92 HE1 HIS 92 14.908 -14.406 -29.947
Start of MODEL 14
1 H1 MET 1 1H MET 1 -17.855 -13.346 0.764
2 H2 MET 1 2H MET 1 -17.410 -11.746 0.404
3 H3 MET 1 3H MET 1 -17.940 -12.151 1.967
4 HA MET 1 HA MET 1 -15.978 -13.078 2.574
5 HB2 MET 1 2HB MET 1 -14.392 -14.013 0.804
6 HB3 MET 1 3HB MET 1 -15.934 -14.852 0.956
7 HG2 MET 1 2HG MET 1 -16.829 -13.707 -0.977
8 HG3 MET 1 3HG MET 1 -15.419 -12.654 -1.067
9 HE1 MET 1 3HE MET 1 -16.421 -16.406 -0.803
10 HE2 MET 1 1HE MET 1 -15.828 -17.017 -2.353
11 HE3 MET 1 2HE MET 1 -17.076 -15.775 -2.310
12 HA PRO 2 HA PRO 2 -14.696 -8.862 0.712
13 HB2 PRO 2 2HB PRO 2 -15.051 -7.390 3.057
14 HB3 PRO 2 3HB PRO 2 -16.282 -7.551 1.785
15 HG2 PRO 2 2HG PRO 2 -16.003 -9.089 4.352
16 HG3 PRO 2 3HG PRO 2 -17.462 -8.402 3.606
17 HD2 PRO 2 2HD PRO 2 -16.912 -11.037 3.382
18 HD3 PRO 2 3HD PRO 2 -17.635 -10.143 2.024
19 H HIS 3 H HIS 3 -12.610 -8.047 0.987
20 HA HIS 3 HA HIS 3 -10.738 -9.649 2.500
21 HB2 HIS 3 2HB HIS 3 -10.421 -7.010 1.035
22 HB3 HIS 3 3HB HIS 3 -9.078 -7.920 1.726
23 HD1 HIS 3 HD1 HIS 3 -11.554 -7.959 -1.087
24 HD2 HIS 3 HD2 HIS 3 -8.428 -10.328 0.327
25 HE1 HIS 3 HE1 HIS 3 -11.047 -9.641 -2.911
26 H LYS 4 H LYS 4 -9.974 -9.315 4.542
27 HA LYS 4 HA LYS 4 -9.868 -6.692 5.783
28 HB2 LYS 4 2HB LYS 4 -12.309 -7.214 5.979
29 HB3 LYS 4 3HB LYS 4 -11.893 -8.668 6.888
30 HG2 LYS 4 2HG LYS 4 -10.806 -7.309 8.618
31 HG3 LYS 4 3HG LYS 4 -11.128 -5.843 7.691
32 HD2 LYS 4 2HD LYS 4 -13.556 -6.258 7.889
33 HD3 LYS 4 3HD LYS 4 -13.225 -7.714 8.831
34 HE2 LYS 4 2HE LYS 4 -12.086 -6.367 10.544
35 HE3 LYS 4 3HE LYS 4 -12.382 -4.906 9.602
36 HZ1 LYS 4 3HZ LYS 4 -14.839 -6.000 9.785
37 HZ2 LYS 4 1HZ LYS 4 -14.246 -4.774 10.795
38 HZ3 LYS 4 2HZ LYS 4 -14.170 -6.394 11.297
39 H GLU 5 H GLU 5 -10.152 -10.174 6.563
40 HA GLU 5 HA GLU 5 -7.453 -10.135 7.765
41 HB2 GLU 5 2HB GLU 5 -8.206 -10.994 9.940
42 HB3 GLU 5 3HB GLU 5 -8.916 -9.411 9.630
43 HG2 GLU 5 2HG GLU 5 -10.776 -10.653 10.399
44 HG3 GLU 5 3HG GLU 5 -10.949 -10.770 8.649
45 H LYS 6 H LYS 6 -9.981 -11.634 6.133
46 HA LYS 6 HA LYS 6 -9.412 -14.401 6.800
47 HB2 LYS 6 2HB LYS 6 -10.793 -13.136 4.413
48 HB3 LYS 6 3HB LYS 6 -10.733 -14.874 4.718
49 HG2 LYS 6 2HG LYS 6 -11.864 -14.539 6.883
50 HG3 LYS 6 3HG LYS 6 -11.916 -12.801 6.589
51 HD2 LYS 6 2HD LYS 6 -13.278 -13.180 4.568
52 HD3 LYS 6 3HD LYS 6 -13.227 -14.918 4.858
53 HE2 LYS 6 2HE LYS 6 -14.366 -14.601 7.018
54 HE3 LYS 6 3HE LYS 6 -14.407 -12.858 6.746
55 HZ1 LYS 6 3HZ LYS 6 -16.371 -14.514 6.042
56 HZ2 LYS 6 1HZ LYS 6 -15.475 -14.491 4.602
57 HZ3 LYS 6 2HZ LYS 6 -16.061 -13.038 5.259
58 H HIS 7 H HIS 7 -8.297 -15.930 5.458
59 HA HIS 7 HA HIS 7 -6.581 -16.671 4.100
60 HB2 HIS 7 2HB HIS 7 -6.762 -14.097 2.507
61 HB3 HIS 7 3HB HIS 7 -6.363 -15.715 1.937
62 HD1 HIS 7 HD1 HIS 7 -8.684 -17.332 3.131
63 HD2 HIS 7 HD2 HIS 7 -9.197 -13.637 1.269
64 HE1 HIS 7 HE1 HIS 7 -11.098 -17.241 2.370
65 HA PRO 8 HA PRO 8 -2.842 -15.061 5.940
66 HB2 PRO 8 2HB PRO 8 -1.519 -15.182 3.243
67 HB3 PRO 8 3HB PRO 8 -0.989 -15.884 4.784
68 HG2 PRO 8 2HG PRO 8 -2.132 -17.341 2.760
69 HG3 PRO 8 3HG PRO 8 -2.204 -17.801 4.470
70 HD2 PRO 8 2HD PRO 8 -4.392 -16.821 2.739
71 HD3 PRO 8 3HD PRO 8 -4.483 -17.620 4.321
72 H LEU 9 H LEU 9 -1.504 -13.124 5.959
73 HA LEU 9 HA LEU 9 -2.830 -10.759 5.046
74 HB2 LEU 9 2HB LEU 9 -0.079 -11.341 6.162
75 HB3 LEU 9 3HB LEU 9 -0.467 -9.721 5.592
76 HG LEU 9 HG LEU 9 -2.410 -9.660 7.139
77 HD11 LEU 9 1HD1 LEU 9 -2.985 -11.971 7.366
78 HD12 LEU 9 2HD1 LEU 9 -2.426 -11.459 8.955
79 HD13 LEU 9 3HD1 LEU 9 -1.361 -12.399 7.906
80 HD21 LEU 9 3HD2 LEU 9 -1.047 -9.574 9.251
81 HD22 LEU 9 1HD2 LEU 9 -0.299 -8.719 7.902
82 HD23 LEU 9 2HD2 LEU 9 0.287 -10.316 8.369
83 H GLN 10 H GLN 10 -0.081 -12.606 3.743
84 HA GLN 10 HA GLN 10 0.722 -10.848 1.690
85 HB2 GLN 10 2HB GLN 10 1.874 -12.988 2.274
86 HB3 GLN 10 3HB GLN 10 0.553 -13.871 1.513
87 HG2 GLN 10 2HG GLN 10 1.047 -12.886 -0.646
88 HG3 GLN 10 3HG GLN 10 2.245 -11.810 0.071
89 HE21 GLN 10 1HE2 GLN 10 2.965 -13.629 -2.018
90 HE22 GLN 10 2HE2 GLN 10 4.005 -14.805 -1.372
91 H ASP 11 H ASP 11 -1.902 -13.239 1.712
92 HA ASP 11 HA ASP 11 -2.670 -12.891 -1.022
93 HB2 ASP 11 2HB ASP 11 -3.465 -14.778 0.367
94 HB3 ASP 11 3HB ASP 11 -4.383 -13.651 1.366
95 H MET 12 H MET 12 -3.726 -11.261 1.976
96 HA MET 12 HA MET 12 -5.742 -9.636 0.769
97 HB2 MET 12 2HB MET 12 -5.428 -9.949 3.232
98 HB3 MET 12 3HB MET 12 -3.980 -8.950 3.141
99 HG2 MET 12 2HG MET 12 -5.306 -7.046 2.344
100 HG3 MET 12 3HG MET 12 -6.760 -8.042 2.333
101 HE1 MET 12 3HE MET 12 -8.002 -6.359 3.685
102 HE2 MET 12 1HE MET 12 -6.632 -5.258 3.893
103 HE3 MET 12 2HE MET 12 -7.580 -5.767 5.288
104 H PHE 13 H PHE 13 -2.318 -8.828 1.518
105 HA PHE 13 HA PHE 13 -2.447 -6.266 0.192
106 HB2 PHE 13 2HB PHE 13 -0.084 -8.017 0.936
107 HB3 PHE 13 3HB PHE 13 0.066 -6.379 0.305
108 HD1 PHE 13 HD2 PHE 13 -1.343 -4.530 1.528
109 HD2 PHE 13 HD1 PHE 13 -0.289 -8.304 3.299
110 HE1 PHE 13 HE2 PHE 13 -1.718 -3.578 3.784
111 HE2 PHE 13 HE1 PHE 13 -0.665 -7.346 5.553
112 HZ PHE 13 HZ PHE 13 -1.378 -4.986 5.798
113 H THR 14 H THR 14 -1.309 -9.475 -0.848
114 HA THR 14 HA THR 14 -0.297 -8.670 -3.388
115 HB THR 14 HB THR 14 -1.521 -11.315 -2.542
116 HG1 THR 14 HG1 THR 14 0.645 -11.858 -2.177
117 HG21 THR 14 3HG2 THR 14 -0.042 -12.206 -4.398
118 HG22 THR 14 1HG2 THR 14 0.176 -10.539 -4.931
119 HG23 THR 14 2HG2 THR 14 -1.430 -11.271 -4.947
120 H SER 15 H SER 15 -3.536 -9.845 -2.449
121 HA SER 15 HA SER 15 -4.669 -9.784 -5.060
122 HB2 SER 15 2HB SER 15 -6.046 -9.267 -2.408
123 HB3 SER 15 3HB SER 15 -6.843 -9.711 -3.915
124 HG SER 15 HG SER 15 -6.071 -11.371 -2.171
125 H ALA 16 H ALA 16 -4.465 -7.252 -2.556
126 HA ALA 16 HA ALA 16 -6.003 -5.298 -3.970
127 HB1 ALA 16 3HB ALA 16 -3.713 -4.765 -2.054
128 HB2 ALA 16 1HB ALA 16 -5.353 -5.162 -1.541
129 HB3 ALA 16 2HB ALA 16 -5.049 -3.679 -2.442
130 H ILE 17 H ILE 17 -2.482 -5.927 -3.937
131 HA ILE 17 HA ILE 17 -1.760 -3.716 -5.588
132 HB ILE 17 HB ILE 17 -0.474 -6.445 -5.245
133 HG12 ILE 17 2HG1 ILE 17 0.350 -3.757 -4.097
134 HG13 ILE 17 3HG1 ILE 17 -0.708 -4.868 -3.238
135 HG21 ILE 17 1HG2 ILE 17 1.612 -5.230 -6.095
136 HG22 ILE 17 2HG2 ILE 17 0.536 -3.945 -6.638
137 HG23 ILE 17 3HG2 ILE 17 0.388 -5.565 -7.316
138 HD11 ILE 17 3HD1 ILE 17 1.590 -5.225 -2.501
139 HD12 ILE 17 1HD1 ILE 17 2.120 -5.451 -4.167
140 HD13 ILE 17 2HD1 ILE 17 1.048 -6.631 -3.411
141 H GLU 18 H GLU 18 -2.570 -7.091 -6.459
142 HA GLU 18 HA GLU 18 -2.223 -6.690 -9.278
143 HB2 GLU 18 2HB GLU 18 -2.309 -8.915 -8.071
144 HB3 GLU 18 3HB GLU 18 -4.050 -8.696 -7.931
145 HG2 GLU 18 2HG GLU 18 -3.675 -10.047 -9.882
146 HG3 GLU 18 3HG GLU 18 -4.126 -8.445 -10.456
147 H ALA 19 H ALA 19 -4.973 -6.255 -7.102
148 HA ALA 19 HA ALA 19 -7.000 -5.962 -9.076
149 HB1 ALA 19 3HB ALA 19 -7.577 -6.167 -6.721
150 HB2 ALA 19 1HB ALA 19 -8.200 -4.631 -7.328
151 HB3 ALA 19 2HB ALA 19 -6.732 -4.665 -6.349
152 H VAL 20 H VAL 20 -4.509 -3.745 -7.977
153 HA VAL 20 HA VAL 20 -5.384 -1.779 -10.079
154 HB VAL 20 HB VAL 20 -4.628 0.038 -8.359
155 HG11 VAL 20 1HG1 VAL 20 -7.179 -1.551 -7.926
156 HG12 VAL 20 2HG1 VAL 20 -6.962 -0.210 -9.049
157 HG13 VAL 20 3HG1 VAL 20 -6.888 0.077 -7.311
158 HG21 VAL 20 3HG2 VAL 20 -4.779 -0.570 -6.027
159 HG22 VAL 20 1HG2 VAL 20 -3.672 -1.713 -6.784
160 HG23 VAL 20 2HG2 VAL 20 -5.334 -2.187 -6.426
161 H ALA 21 H ALA 21 -3.182 -3.852 -9.897
162 HA ALA 21 HA ALA 21 -0.684 -2.535 -9.466
163 HB1 ALA 21 3HB ALA 21 -1.523 -4.941 -11.094
164 HB2 ALA 21 1HB ALA 21 -0.578 -4.910 -9.609
165 HB3 ALA 21 2HB ALA 21 0.151 -4.380 -11.121
166 H ARG 22 H ARG 22 -2.982 -2.406 -12.049
167 HA ARG 22 HA ARG 22 -2.999 -1.238 -14.068
168 HB2 ARG 22 2HB ARG 22 -0.993 0.395 -12.487
169 HB3 ARG 22 3HB ARG 22 -1.630 0.881 -14.049
170 HG2 ARG 22 2HG ARG 22 -3.883 0.980 -13.200
171 HG3 ARG 22 3HG ARG 22 -3.404 0.218 -11.682
172 HD2 ARG 22 2HD ARG 22 -2.477 2.165 -10.847
173 HD3 ARG 22 3HD ARG 22 -1.943 2.723 -12.425
174 HE ARG 22 HE ARG 22 -4.564 3.095 -12.754
175 HH11 ARG 22 1HH2 ARG 22 -3.003 3.401 -9.708
176 HH12 ARG 22 2HH2 ARG 22 -3.553 5.018 -9.441
177 HH21 ARG 22 1HH1 ARG 22 -5.213 5.293 -12.435
178 HH22 ARG 22 2HH1 ARG 22 -4.772 6.073 -10.952
179 H ASP 23 H ASP 23 -1.060 -0.061 -15.620
180 HA ASP 23 HA ASP 23 0.187 -2.275 -16.878
181 HB2 ASP 23 2HB ASP 23 -0.255 -0.151 -18.033
182 HB3 ASP 23 3HB ASP 23 0.938 0.660 -17.022
183 H SER 24 H SER 24 1.661 0.181 -14.727
184 HA SER 24 HA SER 24 4.267 -1.079 -14.772
185 HB2 SER 24 2HB SER 24 2.973 0.993 -12.990
186 HB3 SER 24 3HB SER 24 4.619 0.424 -12.712
187 HG SER 24 HG SER 24 5.267 1.436 -14.462
188 H GLY 25 H GLY 25 5.227 -2.328 -13.072
189 HA2 GLY 25 2HA GLY 25 3.393 -4.183 -11.763
190 HA3 GLY 25 3HA GLY 25 5.152 -4.193 -11.625
191 H TRP 26 H TRP 26 4.290 -1.101 -11.032
192 HA TRP 26 HA TRP 26 4.371 -1.485 -8.058
193 HB2 TRP 26 2HB TRP 26 4.921 0.922 -9.828
194 HB3 TRP 26 3HB TRP 26 4.914 0.982 -8.065
195 HD1 TRP 26 HD1 TRP 26 7.080 0.083 -10.973
196 HE1 TRP 26 HE1 TRP 26 9.316 -0.886 -10.131
197 HE3 TRP 26 HE3 TRP 26 5.955 -0.560 -6.037
198 HZ2 TRP 26 HZ2 TRP 26 10.472 -1.814 -7.679
199 HZ3 TRP 26 HZ3 TRP 26 7.636 -1.486 -4.471
200 HH2 TRP 26 HH2 TRP 26 9.889 -2.113 -5.285
201 H ALA 27 H ALA 27 2.821 -0.511 -6.730
202 HA ALA 27 HA ALA 27 0.390 0.668 -8.060
203 HB1 ALA 27 3HB ALA 27 0.402 -1.221 -5.682
204 HB2 ALA 27 1HB ALA 27 0.027 -1.710 -7.332
205 HB3 ALA 27 2HB ALA 27 -1.013 -0.557 -6.501
206 H GLU 28 H GLU 28 -0.066 2.631 -7.237
207 HA GLU 28 HA GLU 28 1.472 3.803 -5.128
208 HB2 GLU 28 2HB GLU 28 -0.321 5.617 -5.215
209 HB3 GLU 28 3HB GLU 28 0.460 5.264 -6.748
210 HG2 GLU 28 2HG GLU 28 -1.425 3.826 -7.397
211 HG3 GLU 28 3HG GLU 28 -2.194 4.154 -5.852
212 H LEU 29 H LEU 29 1.081 3.987 -2.948
213 HA LEU 29 HA LEU 29 -0.425 2.059 -1.603
214 HB2 LEU 29 2HB LEU 29 1.323 4.102 -0.866
215 HB3 LEU 29 3HB LEU 29 -0.155 4.622 -0.102
216 HG LEU 29 HG LEU 29 1.037 3.300 1.505
217 HD11 LEU 29 1HD1 LEU 29 -1.512 2.833 1.053
218 HD12 LEU 29 2HD1 LEU 29 -0.601 1.827 2.178
219 HD13 LEU 29 3HD1 LEU 29 -0.927 1.244 0.549
220 HD21 LEU 29 3HD2 LEU 29 1.109 0.820 -0.200
221 HD22 LEU 29 1HD2 LEU 29 2.151 1.300 1.137
222 HD23 LEU 29 2HD2 LEU 29 2.354 2.041 -0.447
223 H SER 30 H SER 30 -1.394 5.339 -2.580
224 HA SER 30 HA SER 30 -3.853 5.518 -1.201
225 HB2 SER 30 2HB SER 30 -3.190 6.518 -3.991
226 HB3 SER 30 3HB SER 30 -4.553 7.057 -3.015
227 HG SER 30 HG SER 30 -1.938 7.139 -1.977
228 H ALA 31 H ALA 31 -3.163 4.038 -4.385
229 HA ALA 31 HA ALA 31 -5.895 3.268 -4.880
230 HB1 ALA 31 3HB ALA 31 -3.324 2.044 -5.930
231 HB2 ALA 31 1HB ALA 31 -4.247 3.338 -6.695
232 HB3 ALA 31 2HB ALA 31 -4.937 1.728 -6.567
233 H VAL 32 H VAL 32 -3.176 1.607 -3.276
234 HA VAL 32 HA VAL 32 -4.468 -0.928 -2.968
235 HB VAL 32 HB VAL 32 -2.403 0.450 -1.216
236 HG11 VAL 32 1HG1 VAL 32 -1.847 -1.916 -0.526
237 HG12 VAL 32 2HG1 VAL 32 -3.329 -2.437 -1.323
238 HG13 VAL 32 3HG1 VAL 32 -3.407 -1.350 0.062
239 HG21 VAL 32 3HG2 VAL 32 -0.791 -0.877 -2.492
240 HG22 VAL 32 1HG2 VAL 32 -1.756 0.103 -3.595
241 HG23 VAL 32 2HG2 VAL 32 -2.099 -1.617 -3.414
242 H GLY 33 H GLY 33 -4.245 1.841 -0.724
243 HA2 GLY 33 2HA GLY 33 -5.894 0.711 1.305
244 HA3 GLY 33 3HA GLY 33 -5.602 2.431 1.084
245 H SER 34 H SER 34 -6.724 2.834 -1.453
246 HA SER 34 HA SER 34 -9.482 3.125 -0.829
247 HB2 SER 34 2HB SER 34 -8.138 3.021 -3.549
248 HB3 SER 34 3HB SER 34 -9.773 3.605 -3.251
249 HG SER 34 HG SER 34 -7.443 4.896 -2.994
250 H TYR 35 H TYR 35 -7.802 0.651 -2.773
251 HA TYR 35 HA TYR 35 -10.129 -0.800 -3.559
252 HB2 TYR 35 2HB TYR 35 -7.940 -1.223 -4.578
253 HB3 TYR 35 3HB TYR 35 -7.304 -1.785 -3.034
254 HD1 TYR 35 HD2 TYR 35 -9.792 -2.502 -5.704
255 HD2 TYR 35 HD1 TYR 35 -7.710 -4.038 -2.274
256 HE1 TYR 35 HE2 TYR 35 -10.629 -4.778 -6.214
257 HE2 TYR 35 HE1 TYR 35 -8.548 -6.314 -2.785
258 HH TYR 35 HH TYR 35 -10.387 -6.972 -5.738
259 H LEU 36 H LEU 36 -7.967 -1.230 -0.757
260 HA LEU 36 HA LEU 36 -9.419 -3.414 0.386
261 HB2 LEU 36 2HB LEU 36 -7.666 -1.314 1.694
262 HB3 LEU 36 3HB LEU 36 -8.250 -2.762 2.510
263 HG LEU 36 HG LEU 36 -6.577 -2.786 -0.024
264 HD11 LEU 36 1HD1 LEU 36 -5.764 -3.206 2.868
265 HD12 LEU 36 2HD1 LEU 36 -5.274 -1.868 1.827
266 HD13 LEU 36 3HD1 LEU 36 -4.724 -3.506 1.476
267 HD21 LEU 36 3HD2 LEU 36 -6.185 -5.239 0.919
268 HD22 LEU 36 1HD2 LEU 36 -7.644 -4.879 0.003
269 HD23 LEU 36 2HD2 LEU 36 -7.707 -4.955 1.763
270 H ALA 37 H ALA 37 -9.707 0.112 0.779
271 HA ALA 37 HA ALA 37 -11.559 0.138 2.909
272 HB1 ALA 37 3HB ALA 37 -12.286 2.335 1.998
273 HB2 ALA 37 1HB ALA 37 -11.390 1.998 0.518
274 HB3 ALA 37 2HB ALA 37 -10.529 2.191 2.045
275 H LYS 38 H LYS 38 -12.165 -0.073 -0.607
276 HA LYS 38 HA LYS 38 -15.003 -0.100 -0.467
277 HB2 LYS 38 2HB LYS 38 -13.645 0.114 -2.567
278 HB3 LYS 38 3HB LYS 38 -13.250 -1.597 -2.439
279 HG2 LYS 38 2HG LYS 38 -15.625 -2.187 -2.598
280 HG3 LYS 38 3HG LYS 38 -16.061 -0.479 -2.656
281 HD2 LYS 38 2HD LYS 38 -14.756 -0.222 -4.739
282 HD3 LYS 38 3HD LYS 38 -14.337 -1.934 -4.684
283 HE2 LYS 38 2HE LYS 38 -16.230 -1.588 -6.200
284 HE3 LYS 38 3HE LYS 38 -16.750 -2.510 -4.789
285 HZ1 LYS 38 3HZ LYS 38 -18.290 -0.711 -5.350
286 HZ2 LYS 38 1HZ LYS 38 -17.054 0.426 -5.112
287 HZ3 LYS 38 2HZ LYS 38 -17.611 -0.506 -3.806
288 H ASN 39 H ASN 39 -12.693 -2.823 -0.493
289 HA ASN 39 HA ASN 39 -14.692 -4.865 -0.190
290 HB2 ASN 39 2HB ASN 39 -11.734 -4.814 0.492
291 HB3 ASN 39 3HB ASN 39 -12.733 -6.266 0.559
292 HD21 ASN 39 1HD2 ASN 39 -10.889 -4.249 -1.544
293 HD22 ASN 39 2HD2 ASN 39 -11.346 -4.976 -3.008
294 H ASP 40 H ASP 40 -12.741 -3.035 2.149
295 HA ASP 40 HA ASP 40 -13.802 -4.480 4.453
296 HB2 ASP 40 2HB ASP 40 -12.085 -2.011 4.064
297 HB3 ASP 40 3HB ASP 40 -12.656 -2.459 5.671
298 HA PRO 41 HA PRO 41 -17.549 -2.110 4.943
299 HB2 PRO 41 2HB PRO 41 -17.745 -1.918 7.722
300 HB3 PRO 41 3HB PRO 41 -18.166 -3.372 6.795
301 HG2 PRO 41 2HG PRO 41 -15.627 -2.741 8.264
302 HG3 PRO 41 3HG PRO 41 -16.537 -4.264 8.193
303 HD2 PRO 41 2HD PRO 41 -14.301 -3.890 6.703
304 HD3 PRO 41 3HD PRO 41 -15.677 -4.834 6.083
305 H SER 42 H SER 42 -14.729 -1.017 6.773
306 HA SER 42 HA SER 42 -14.974 1.687 5.811
307 HB2 SER 42 2HB SER 42 -15.874 1.139 8.652
308 HB3 SER 42 3HB SER 42 -15.335 2.731 8.125
309 HG SER 42 HG SER 42 -17.245 2.985 7.322
310 H PHE 43 H PHE 43 -12.748 0.962 5.356
311 HA PHE 43 HA PHE 43 -10.929 0.677 7.691
312 HB2 PHE 43 2HB PHE 43 -10.736 -0.683 5.517
313 HB3 PHE 43 3HB PHE 43 -10.167 0.789 4.747
314 HD1 PHE 43 HD1 PHE 43 -8.113 1.955 5.666
315 HD2 PHE 43 HD2 PHE 43 -9.283 -1.987 6.904
316 HE1 PHE 43 HE1 PHE 43 -5.841 1.554 6.545
317 HE2 PHE 43 HE2 PHE 43 -7.006 -2.391 7.783
318 HZ PHE 43 HZ PHE 43 -5.278 -0.619 7.609
319 H ASP 44 H ASP 44 -10.485 2.557 4.722
320 HA ASP 44 HA ASP 44 -9.867 4.810 4.367
321 HB2 ASP 44 2HB ASP 44 -10.815 5.409 7.189
322 HB3 ASP 44 3HB ASP 44 -10.759 6.485 5.800
323 HA PRO 45 HA PRO 45 -5.974 3.979 6.749
324 HB2 PRO 45 2HB PRO 45 -4.587 5.224 4.442
325 HB3 PRO 45 3HB PRO 45 -4.377 3.600 5.121
326 HG2 PRO 45 2HG PRO 45 -5.602 4.117 2.712
327 HG3 PRO 45 3HG PRO 45 -5.908 2.669 3.689
328 HD2 PRO 45 2HD PRO 45 -7.627 5.091 3.317
329 HD3 PRO 45 3HD PRO 45 -8.097 3.415 3.684
330 H ARG 46 H ARG 46 -7.379 6.812 5.414
331 HA ARG 46 HA ARG 46 -5.537 8.839 6.198
332 HB2 ARG 46 2HB ARG 46 -8.578 8.843 6.106
333 HB3 ARG 46 3HB ARG 46 -7.609 10.302 6.350
334 HG2 ARG 46 2HG ARG 46 -6.431 9.890 4.243
335 HG3 ARG 46 3HG ARG 46 -7.343 8.408 4.004
336 HD2 ARG 46 2HD ARG 46 -9.423 9.709 3.855
337 HD3 ARG 46 3HD ARG 46 -8.507 11.206 4.062
338 HE ARG 46 HE ARG 46 -8.287 9.345 1.742
339 HH11 ARG 46 1HH2 ARG 46 -7.809 12.516 3.029
340 HH12 ARG 46 2HH2 ARG 46 -6.618 12.945 1.852
341 HH21 ARG 46 1HH1 ARG 46 -6.653 9.876 0.269
342 HH22 ARG 46 2HH1 ARG 46 -5.961 11.463 0.308
343 H ASN 47 H ASN 47 -8.208 7.387 8.034
344 HA ASN 47 HA ASN 47 -7.740 8.839 10.441
345 HB2 ASN 47 2HB ASN 47 -8.929 6.091 9.949
346 HB3 ASN 47 3HB ASN 47 -8.946 6.889 11.521
347 HD21 ASN 47 1HD2 ASN 47 -11.369 6.265 10.075
348 HD22 ASN 47 2HD2 ASN 47 -12.109 7.731 9.643
349 H TRP 48 H TRP 48 -6.276 5.909 9.114
350 HA TRP 48 HA TRP 48 -4.819 5.252 11.554
351 HB2 TRP 48 2HB TRP 48 -4.542 4.349 8.668
352 HB3 TRP 48 3HB TRP 48 -3.538 3.721 9.974
353 HD1 TRP 48 HD1 TRP 48 -7.351 4.261 9.449
354 HE1 TRP 48 HE1 TRP 48 -8.572 2.176 10.340
355 HE3 TRP 48 HE3 TRP 48 -3.354 1.517 11.056
356 HZ2 TRP 48 HZ2 TRP 48 -7.940 -0.328 11.571
357 HZ3 TRP 48 HZ3 TRP 48 -3.692 -0.713 12.080
358 HH2 TRP 48 HH2 TRP 48 -5.978 -1.639 12.339
359 H GLY 49 H GLY 49 -4.510 8.032 10.372
360 HA2 GLY 49 2HA GLY 49 -2.747 9.570 10.288
361 HA3 GLY 49 3HA GLY 49 -1.685 8.287 10.859
362 H HIS 50 H HIS 50 -2.859 9.985 8.069
363 HA HIS 50 HA HIS 50 -2.239 9.897 5.803
364 HB2 HIS 50 2HB HIS 50 0.337 9.062 7.167
365 HB3 HIS 50 3HB HIS 50 0.223 9.531 5.470
366 HD1 HIS 50 HD1 HIS 50 -1.061 12.015 5.179
367 HD2 HIS 50 HD2 HIS 50 0.890 11.231 8.779
368 HE1 HIS 50 HE1 HIS 50 -0.663 14.260 6.281
369 H GLY 51 H GLY 51 0.031 7.326 6.550
370 HA2 GLY 51 2HA GLY 51 -1.777 5.185 5.662
371 HA3 GLY 51 3HA GLY 51 -0.505 5.595 4.507
372 H ARG 52 H ARG 52 -0.793 5.054 8.025
373 HA ARG 52 HA ARG 52 1.891 4.265 8.448
374 HB2 ARG 52 2HB ARG 52 0.055 4.810 10.166
375 HB3 ARG 52 3HB ARG 52 -0.491 3.149 9.967
376 HG2 ARG 52 2HG ARG 52 1.706 2.313 10.664
377 HG3 ARG 52 3HG ARG 52 2.319 3.962 10.782
378 HD2 ARG 52 2HD ARG 52 1.776 3.441 13.019
379 HD3 ARG 52 3HD ARG 52 0.357 4.325 12.471
380 HE ARG 52 HE ARG 52 0.244 1.378 12.206
381 HH11 ARG 52 1HH2 ARG 52 -0.720 4.268 13.880
382 HH12 ARG 52 2HH2 ARG 52 -1.779 3.429 14.955
383 HH21 ARG 52 1HH1 ARG 52 -1.109 0.301 13.672
384 HH22 ARG 52 2HH1 ARG 52 -1.994 1.216 14.846
385 H LEU 53 H LEU 53 -0.423 2.764 6.585
386 HA LEU 53 HA LEU 53 0.012 -0.009 7.109
387 HB2 LEU 53 2HB LEU 53 -0.900 1.575 4.698
388 HB3 LEU 53 3HB LEU 53 -0.662 -0.166 4.568
389 HG LEU 53 HG LEU 53 -2.286 -0.570 6.341
390 HD11 LEU 53 1HD1 LEU 53 -3.598 1.428 7.229
391 HD12 LEU 53 2HD1 LEU 53 -2.349 2.458 6.538
392 HD13 LEU 53 3HD1 LEU 53 -1.945 1.304 7.809
393 HD21 LEU 53 3HD2 LEU 53 -3.363 1.467 4.360
394 HD22 LEU 53 1HD2 LEU 53 -4.299 0.225 5.193
395 HD23 LEU 53 2HD2 LEU 53 -3.089 -0.237 3.996
396 H SER 54 H SER 54 1.679 2.340 5.057
397 HA SER 54 HA SER 54 3.422 0.610 3.673
398 HB2 SER 54 2HB SER 54 4.804 2.535 3.304
399 HB3 SER 54 3HB SER 54 3.145 3.123 3.371
400 HG SER 54 HG SER 54 3.867 4.364 4.901
401 H GLN 55 H GLN 55 3.592 1.841 6.973
402 HA GLN 55 HA GLN 55 6.286 0.708 7.415
403 HB2 GLN 55 2HB GLN 55 4.292 1.925 9.358
404 HB3 GLN 55 3HB GLN 55 5.974 1.532 9.718
405 HG2 GLN 55 2HG GLN 55 5.097 3.477 7.564
406 HG3 GLN 55 3HG GLN 55 5.628 3.954 9.176
407 HE21 GLN 55 1HE2 GLN 55 6.800 3.906 6.149
408 HE22 GLN 55 2HE2 GLN 55 8.427 3.522 6.440
409 H MET 56 H MET 56 2.914 -0.092 8.120
410 HA MET 56 HA MET 56 3.448 -2.231 9.955
411 HB2 MET 56 2HB MET 56 1.217 -1.170 9.667
412 HB3 MET 56 3HB MET 56 1.103 -1.895 8.066
413 HG2 MET 56 2HG MET 56 1.166 -4.134 9.014
414 HG3 MET 56 3HG MET 56 1.441 -3.477 10.628
415 HE1 MET 56 3HE MET 56 -0.645 -5.533 10.008
416 HE2 MET 56 1HE MET 56 -2.165 -4.963 10.710
417 HE3 MET 56 2HE MET 56 -0.663 -4.819 11.620
418 H VAL 57 H VAL 57 2.975 -2.194 6.414
419 HA VAL 57 HA VAL 57 3.210 -5.037 6.097
420 HB VAL 57 HB VAL 57 3.544 -4.538 3.706
421 HG11 VAL 57 1HG1 VAL 57 1.489 -2.817 5.123
422 HG12 VAL 57 2HG1 VAL 57 1.263 -4.449 4.496
423 HG13 VAL 57 3HG1 VAL 57 1.493 -3.102 3.383
424 HG21 VAL 57 3HG2 VAL 57 5.057 -2.673 3.789
425 HG22 VAL 57 1HG2 VAL 57 3.934 -1.715 4.744
426 HG23 VAL 57 2HG2 VAL 57 3.579 -2.064 3.058
427 H LYS 58 H LYS 58 5.517 -2.527 6.554
428 HA LYS 58 HA LYS 58 7.804 -3.727 5.341
429 HB2 LYS 58 2HB LYS 58 7.658 -1.356 6.177
430 HB3 LYS 58 3HB LYS 58 7.763 -1.984 7.822
431 HG2 LYS 58 2HG LYS 58 9.946 -2.954 7.367
432 HG3 LYS 58 3HG LYS 58 9.837 -2.482 5.670
433 HD2 LYS 58 2HD LYS 58 9.742 -0.103 6.345
434 HD3 LYS 58 3HD LYS 58 9.888 -0.584 8.036
435 HE2 LYS 58 2HE LYS 58 11.925 -1.167 5.865
436 HE3 LYS 58 3HE LYS 58 12.079 0.085 7.098
437 HZ1 LYS 58 3HZ LYS 58 11.766 -1.785 8.752
438 HZ2 LYS 58 1HZ LYS 58 13.247 -1.745 7.926
439 HZ3 LYS 58 2HZ LYS 58 12.046 -2.851 7.459
440 H LYS 59 H LYS 59 6.058 -4.466 8.233
441 HA LYS 59 HA LYS 59 8.253 -6.013 9.461
442 HB2 LYS 59 2HB LYS 59 5.330 -5.653 10.192
443 HB3 LYS 59 3HB LYS 59 6.486 -6.591 11.138
444 HG2 LYS 59 2HG LYS 59 7.868 -4.626 11.503
445 HG3 LYS 59 3HG LYS 59 6.860 -3.671 10.420
446 HD2 LYS 59 2HD LYS 59 6.222 -3.128 12.683
447 HD3 LYS 59 3HD LYS 59 4.919 -4.070 11.966
448 HE2 LYS 59 2HE LYS 59 5.497 -6.017 13.207
449 HE3 LYS 59 3HE LYS 59 7.096 -5.390 13.613
450 HZ1 LYS 59 3HZ LYS 59 6.232 -3.943 15.156
451 HZ2 LYS 59 1HZ LYS 59 5.219 -5.289 15.351
452 HZ3 LYS 59 2HZ LYS 59 4.678 -3.944 14.466
453 H LEU 60 H LEU 60 6.448 -6.598 6.817
454 HA LEU 60 HA LEU 60 5.742 -9.426 7.443
455 HB2 LEU 60 2HB LEU 60 5.348 -7.730 4.961
456 HB3 LEU 60 3HB LEU 60 4.816 -9.396 5.119
457 HG LEU 60 HG LEU 60 3.944 -7.148 6.961
458 HD11 LEU 60 1HD1 LEU 60 1.844 -7.115 5.746
459 HD12 LEU 60 2HD1 LEU 60 2.375 -8.439 4.711
460 HD13 LEU 60 3HD1 LEU 60 3.157 -6.863 4.594
461 HD21 LEU 60 3HD2 LEU 60 3.554 -9.100 8.198
462 HD22 LEU 60 1HD2 LEU 60 3.254 -10.090 6.770
463 HD23 LEU 60 2HD2 LEU 60 2.028 -8.956 7.338
464 H ASP 61 H ASP 61 8.348 -7.640 6.237
465 HA ASP 61 HA ASP 61 10.374 -8.252 5.285
466 HB2 ASP 61 2HB ASP 61 10.187 -9.991 7.139
467 HB3 ASP 61 3HB ASP 61 9.623 -11.119 5.908
468 H PHE 62 H PHE 62 8.134 -10.920 4.286
469 HA PHE 62 HA PHE 62 9.377 -11.153 1.739
470 HB2 PHE 62 2HB PHE 62 7.409 -12.512 1.081
471 HB3 PHE 62 3HB PHE 62 8.112 -13.016 2.615
472 HD1 PHE 62 HD2 PHE 62 5.253 -11.303 1.009
473 HD2 PHE 62 HD1 PHE 62 6.931 -12.670 4.717
474 HE1 PHE 62 HE2 PHE 62 3.078 -10.927 2.132
475 HE2 PHE 62 HE1 PHE 62 4.750 -12.307 5.837
476 HZ PHE 62 HZ PHE 62 2.821 -11.437 4.545
477 H LEU 63 H LEU 63 8.328 -8.395 2.473
478 HA LEU 63 HA LEU 63 7.095 -7.833 -0.194
479 HB2 LEU 63 2HB LEU 63 6.029 -7.101 2.537
480 HB3 LEU 63 3HB LEU 63 5.732 -5.999 1.198
481 HG LEU 63 HG LEU 63 5.095 -8.942 0.831
482 HD11 LEU 63 1HD1 LEU 63 4.016 -8.363 2.954
483 HD12 LEU 63 2HD1 LEU 63 2.812 -8.549 1.679
484 HD13 LEU 63 3HD1 LEU 63 3.294 -6.937 2.209
485 HD21 LEU 63 3HD2 LEU 63 3.804 -6.383 -0.173
486 HD22 LEU 63 1HD2 LEU 63 3.360 -8.017 -0.656
487 HD23 LEU 63 2HD2 LEU 63 4.940 -7.371 -1.087
488 H THR 64 H THR 64 8.019 -6.160 -1.201
489 HA THR 64 HA THR 64 10.254 -4.738 0.127
490 HB THR 64 HB THR 64 9.204 -4.571 -2.716
491 HG1 THR 64 HG1 THR 64 10.053 -6.489 -2.776
492 HG21 THR 64 3HG2 THR 64 11.536 -3.711 -3.150
493 HG22 THR 64 1HG2 THR 64 11.762 -3.613 -1.405
494 HG23 THR 64 2HG2 THR 64 10.531 -2.623 -2.193
495 H VAL 65 H VAL 65 10.189 -2.575 0.678
496 HA VAL 65 HA VAL 65 7.681 -1.016 0.062
497 HB VAL 65 HB VAL 65 9.356 -0.971 2.596
498 HG11 VAL 65 1HG1 VAL 65 7.450 0.500 3.398
499 HG12 VAL 65 2HG1 VAL 65 6.891 0.578 1.727
500 HG13 VAL 65 3HG1 VAL 65 8.465 1.243 2.163
501 HG21 VAL 65 3HG2 VAL 65 7.321 -1.914 3.632
502 HG22 VAL 65 1HG2 VAL 65 7.936 -2.983 2.371
503 HG23 VAL 65 2HG2 VAL 65 6.538 -1.956 2.052
504 H GLN 66 H GLN 66 8.033 0.919 -0.863
505 HA GLN 66 HA GLN 66 10.775 2.148 -0.749
506 HB2 GLN 66 2HB GLN 66 8.986 1.806 -3.179
507 HB3 GLN 66 3HB GLN 66 10.418 2.836 -3.137
508 HG2 GLN 66 2HG GLN 66 11.820 0.892 -2.581
509 HG3 GLN 66 3HG GLN 66 10.393 -0.147 -2.596
510 HE21 GLN 66 1HE2 GLN 66 12.083 -1.086 -4.389
511 HE22 GLN 66 2HE2 GLN 66 11.760 -0.566 -5.972
512 H GLU 67 H GLU 67 10.714 4.249 -0.219
513 HA GLU 67 HA GLU 67 8.073 5.709 -0.271
514 HB2 GLU 67 2HB GLU 67 10.383 5.944 1.683
515 HB3 GLU 67 3HB GLU 67 8.929 6.935 1.701
516 HG2 GLU 67 2HG GLU 67 8.922 3.918 1.946
517 HG3 GLU 67 3HG GLU 67 8.854 5.016 3.313
518 H SER 68 H SER 68 8.101 7.404 -1.636
519 HA SER 68 HA SER 68 10.733 8.673 -2.393
520 HB2 SER 68 2HB SER 68 9.554 7.704 -4.295
521 HB3 SER 68 3HB SER 68 8.071 8.538 -3.845
522 HG SER 68 HG SER 68 10.364 9.479 -5.081
523 H ARG 69 H ARG 69 11.004 10.853 -1.873
524 HA ARG 69 HA ARG 69 9.028 12.103 -0.142
525 HB2 ARG 69 2HB ARG 69 11.557 13.199 -1.419
526 HB3 ARG 69 3HB ARG 69 10.550 14.123 -0.313
527 HG2 ARG 69 2HG ARG 69 12.440 13.103 0.860
528 HG3 ARG 69 3HG ARG 69 10.924 12.442 1.463
529 HD2 ARG 69 2HD ARG 69 11.246 10.374 0.349
530 HD3 ARG 69 3HD ARG 69 12.406 11.049 -0.778
531 HE ARG 69 HE ARG 69 13.311 9.506 1.078
532 HH11 ARG 69 1HH2 ARG 69 13.142 12.675 2.397
533 HH12 ARG 69 2HH2 ARG 69 14.862 12.830 2.508
534 HH21 ARG 69 1HH1 ARG 69 15.529 9.737 1.208
535 HH22 ARG 69 2HH1 ARG 69 16.188 11.208 1.844
536 H ASN 70 H ASN 70 7.397 13.481 -0.714
537 HA ASN 70 HA ASN 70 7.398 14.817 -3.372
538 HB2 ASN 70 2HB ASN 70 6.322 12.596 -3.747
539 HB3 ASN 70 3HB ASN 70 5.162 12.966 -2.473
540 HD21 ASN 70 1HD2 ASN 70 4.048 12.503 -4.954
541 HD22 ASN 70 2HD2 ASN 70 3.540 13.957 -5.669
542 H GLY 71 H GLY 71 7.473 16.771 -2.175
543 HA2 GLY 71 2HA GLY 71 6.451 18.640 -1.185
544 HA3 GLY 71 3HA GLY 71 4.908 17.803 -1.348
545 H SER 72 H SER 72 4.032 17.957 0.686
546 HA SER 72 HA SER 72 5.699 17.576 3.094
547 HB2 SER 72 2HB SER 72 3.695 18.150 4.323
548 HB3 SER 72 3HB SER 72 3.850 19.272 2.973
549 HG SER 72 HG SER 72 2.130 18.422 2.072
550 H LYS 73 H LYS 73 4.162 15.499 0.956
551 HA LYS 73 HA LYS 73 3.972 13.343 3.053
552 HB2 LYS 73 2HB LYS 73 1.696 14.152 2.380
553 HB3 LYS 73 3HB LYS 73 2.073 13.716 0.714
554 HG2 LYS 73 2HG LYS 73 2.362 11.379 1.340
555 HG3 LYS 73 3HG LYS 73 2.143 11.777 3.044
556 HD2 LYS 73 2HD LYS 73 -0.153 12.563 2.560
557 HD3 LYS 73 3HD LYS 73 0.064 12.133 0.862
558 HE2 LYS 73 2HE LYS 73 0.321 10.166 3.157
559 HE3 LYS 73 3HE LYS 73 -1.141 10.374 2.193
560 HZ1 LYS 73 3HZ LYS 73 -0.217 8.825 0.895
561 HZ2 LYS 73 1HZ LYS 73 1.343 9.071 1.517
562 HZ3 LYS 73 2HZ LYS 73 0.742 10.098 0.303
563 H LEU 74 H LEU 74 4.979 11.465 2.463
564 HA LEU 74 HA LEU 74 6.427 11.450 -0.129
565 HB2 LEU 74 2HB LEU 74 7.212 9.114 1.031
566 HB3 LEU 74 3HB LEU 74 7.952 10.654 1.440
567 HG LEU 74 HG LEU 74 6.420 10.879 3.378
568 HD11 LEU 74 1HD1 LEU 74 5.397 8.216 2.340
569 HD12 LEU 74 2HD1 LEU 74 4.471 9.670 2.718
570 HD13 LEU 74 3HD1 LEU 74 5.167 8.713 4.017
571 HD21 LEU 74 3HD2 LEU 74 8.662 9.717 3.531
572 HD22 LEU 74 1HD2 LEU 74 7.805 8.185 3.376
573 HD23 LEU 74 2HD2 LEU 74 7.499 9.226 4.760
574 H HIS 75 H HIS 75 6.287 9.517 -1.531
575 HA HIS 75 HA HIS 75 3.492 8.441 -1.625
576 HB2 HIS 75 2HB HIS 75 4.458 9.528 -3.668
577 HB3 HIS 75 3HB HIS 75 5.704 8.284 -3.698
578 HD1 HIS 75 HD1 HIS 75 5.083 6.732 -5.559
579 HD2 HIS 75 HD2 HIS 75 1.767 7.774 -3.255
580 HE1 HIS 75 HE1 HIS 75 3.136 5.375 -6.447
581 H SER 76 H SER 76 3.425 6.634 -0.318
582 HA SER 76 HA SER 76 5.677 4.782 -0.092
583 HB2 SER 76 2HB SER 76 4.265 4.900 1.833
584 HB3 SER 76 3HB SER 76 2.811 4.752 0.868
585 HG SER 76 HG SER 76 4.399 2.672 0.370
586 H GLU 77 H GLU 77 5.713 2.625 -0.935
587 HA GLU 77 HA GLU 77 3.589 1.809 -2.848
588 HB2 GLU 77 2HB GLU 77 6.506 2.173 -3.633
589 HB3 GLU 77 3HB GLU 77 5.335 1.266 -4.591
590 HG2 GLU 77 2HG GLU 77 3.926 3.304 -4.767
591 HG3 GLU 77 3HG GLU 77 5.146 4.206 -3.870
592 H ILE 78 H ILE 78 3.355 -0.401 -2.833
593 HA ILE 78 HA ILE 78 5.414 -2.028 -1.332
594 HB ILE 78 HB ILE 78 3.532 -3.502 -0.700
595 HG12 ILE 78 2HG1 ILE 78 1.760 -1.332 -1.882
596 HG13 ILE 78 3HG1 ILE 78 2.041 -2.886 -2.650
597 HG21 ILE 78 1HG2 ILE 78 2.526 -1.957 0.936
598 HG22 ILE 78 2HG2 ILE 78 3.120 -0.582 0.009
599 HG23 ILE 78 3HG2 ILE 78 4.260 -1.676 0.792
600 HD11 ILE 78 3HD1 ILE 78 1.202 -3.967 -0.492
601 HD12 ILE 78 1HD1 ILE 78 -0.004 -3.119 -1.458
602 HD13 ILE 78 2HD1 ILE 78 0.667 -2.355 -0.016
603 H ARG 79 H ARG 79 5.997 -4.010 -2.206
604 HA ARG 79 HA ARG 79 4.670 -5.098 -4.574
605 HB2 ARG 79 2HB ARG 79 6.115 -3.307 -5.547
606 HB3 ARG 79 3HB ARG 79 7.528 -4.098 -4.848
607 HG2 ARG 79 2HG ARG 79 7.079 -6.122 -6.142
608 HG3 ARG 79 3HG ARG 79 5.587 -5.426 -6.767
609 HD2 ARG 79 2HD ARG 79 7.079 -3.536 -7.720
610 HD3 ARG 79 3HD ARG 79 8.435 -4.617 -7.388
611 HE ARG 79 HE ARG 79 6.347 -5.971 -8.867
612 HH11 ARG 79 1HH2 ARG 79 9.041 -3.818 -9.060
613 HH12 ARG 79 2HH2 ARG 79 9.253 -4.036 -10.765
614 HH21 ARG 79 1HH1 ARG 79 6.584 -6.217 -11.096
615 HH22 ARG 79 2HH1 ARG 79 7.865 -5.388 -11.918
616 H LEU 80 H LEU 80 5.170 -7.284 -4.800
617 HA LEU 80 HA LEU 80 6.419 -8.571 -2.539
618 HB2 LEU 80 2HB LEU 80 5.500 -9.578 -5.243
619 HB3 LEU 80 3HB LEU 80 6.161 -10.653 -4.016
620 HG LEU 80 HG LEU 80 3.820 -8.808 -3.405
621 HD11 LEU 80 1HD1 LEU 80 3.720 -11.633 -4.516
622 HD12 LEU 80 2HD1 LEU 80 3.132 -10.174 -5.312
623 HD13 LEU 80 3HD1 LEU 80 2.336 -10.761 -3.853
624 HD21 LEU 80 3HD2 LEU 80 4.885 -11.379 -2.162
625 HD22 LEU 80 1HD2 LEU 80 3.341 -10.655 -1.722
626 HD23 LEU 80 2HD2 LEU 80 4.833 -9.784 -1.416
627 H ARG 81 H ARG 81 8.473 -9.318 -2.305
628 HA ARG 81 HA ARG 81 10.546 -8.257 -3.997
629 HB2 ARG 81 2HB ARG 81 12.065 -9.560 -2.559
630 HB3 ARG 81 3HB ARG 81 10.885 -8.682 -1.598
631 HG2 ARG 81 2HG ARG 81 9.525 -10.724 -1.377
632 HG3 ARG 81 3HG ARG 81 10.678 -11.617 -2.367
633 HD2 ARG 81 2HD ARG 81 12.422 -11.328 -0.732
634 HD3 ARG 81 3HD ARG 81 11.419 -10.232 0.220
635 HE ARG 81 HE ARG 81 9.913 -12.533 0.132
636 HH11 ARG 81 1HH2 ARG 81 13.219 -11.871 0.863
637 HH12 ARG 81 2HH2 ARG 81 13.287 -13.005 2.169
638 HH21 ARG 81 1HH1 ARG 81 9.976 -13.961 1.886
639 HH22 ARG 81 2HH1 ARG 81 11.460 -14.180 2.752
640 H HIS 82 H HIS 82 8.452 -10.556 -4.802
641 HA HIS 82 HA HIS 82 9.928 -12.823 -5.611
642 HB2 HIS 82 2HB HIS 82 7.461 -12.674 -5.697
643 HB3 HIS 82 3HB HIS 82 7.582 -11.514 -7.021
644 HD1 HIS 82 HD1 HIS 82 8.546 -15.111 -6.221
645 HD2 HIS 82 HD2 HIS 82 7.787 -12.688 -9.528
646 HE1 HIS 82 HE1 HIS 82 8.569 -16.635 -8.247
647 H ASP 83 H ASP 83 9.436 -9.718 -7.278
648 HA ASP 83 HA ASP 83 11.017 -10.564 -9.614
649 HB2 ASP 83 2HB ASP 83 10.720 -8.177 -10.309
650 HB3 ASP 83 3HB ASP 83 9.197 -8.993 -9.965
651 H GLY 84 H GLY 84 11.976 -10.002 -6.589
652 HA2 GLY 84 2HA GLY 84 13.932 -7.960 -6.682
653 HA3 GLY 84 3HA GLY 84 14.036 -9.384 -5.648
654 H LEU 85 H LEU 85 16.353 -8.335 -6.746
655 HA LEU 85 HA LEU 85 17.126 -9.484 -9.256
656 HB2 LEU 85 2HB LEU 85 18.934 -8.877 -6.897
657 HB3 LEU 85 3HB LEU 85 19.398 -8.961 -8.595
658 HG LEU 85 HG LEU 85 17.494 -6.933 -7.380
659 HD11 LEU 85 1HD1 LEU 85 19.336 -5.339 -7.892
660 HD12 LEU 85 2HD1 LEU 85 20.342 -6.697 -8.395
661 HD13 LEU 85 3HD1 LEU 85 19.821 -6.559 -6.715
662 HD21 LEU 85 3HD2 LEU 85 16.793 -7.191 -9.636
663 HD22 LEU 85 1HD2 LEU 85 18.439 -7.441 -10.219
664 HD23 LEU 85 2HD2 LEU 85 17.912 -5.836 -9.712
665 H GLU 86 H GLU 86 19.251 -11.043 -9.056
666 HA GLU 86 HA GLU 86 19.878 -13.283 -8.802
667 HB2 GLU 86 2HB GLU 86 18.761 -12.791 -6.019
668 HB3 GLU 86 3HB GLU 86 19.759 -14.166 -6.478
669 HG2 GLU 86 2HG GLU 86 20.630 -11.278 -6.773
670 HG3 GLU 86 3HG GLU 86 21.048 -12.295 -5.396
671 H HIS 87 H HIS 87 17.196 -12.711 -9.834
672 HA HIS 87 HA HIS 87 16.086 -15.419 -9.584
673 HB2 HIS 87 2HB HIS 87 15.091 -14.214 -7.625
674 HB3 HIS 87 3HB HIS 87 14.407 -13.034 -8.742
675 HD1 HIS 87 HD1 HIS 87 14.338 -16.811 -8.181
676 HD2 HIS 87 HD2 HIS 87 11.929 -13.778 -9.723
677 HE1 HIS 87 HE1 HIS 87 12.121 -17.887 -8.771
678 H HIS 88 H HIS 88 17.200 -14.032 -11.756
679 HA HIS 88 HA HIS 88 14.886 -14.001 -13.612
680 HB2 HIS 88 2HB HIS 88 15.171 -11.631 -12.832
681 HB3 HIS 88 3HB HIS 88 16.824 -11.667 -13.445
682 HD1 HIS 88 HD1 HIS 88 17.163 -11.427 -15.958
683 HD2 HIS 88 HD2 HIS 88 13.146 -11.809 -14.908
684 HE1 HIS 88 HE1 HIS 88 15.825 -10.942 -18.054
685 H HIS 89 H HIS 89 17.769 -15.210 -12.892
686 HA HIS 89 HA HIS 89 19.347 -14.851 -15.262
687 HB2 HIS 89 2HB HIS 89 20.243 -15.792 -13.143
688 HB3 HIS 89 3HB HIS 89 19.264 -17.236 -13.390
689 HD1 HIS 89 HD1 HIS 89 22.050 -15.291 -15.108
690 HD2 HIS 89 HD2 HIS 89 20.448 -19.139 -15.037
691 HE1 HIS 89 HE1 HIS 89 23.589 -16.734 -16.508
692 H HIS 90 H HIS 90 16.856 -17.221 -14.375
693 HA HIS 90 HA HIS 90 17.156 -18.850 -16.724
694 HB2 HIS 90 2HB HIS 90 14.761 -18.441 -14.908
695 HB3 HIS 90 3HB HIS 90 14.904 -19.719 -16.117
696 HD1 HIS 90 HD1 HIS 90 17.236 -21.219 -15.788
697 HD2 HIS 90 HD2 HIS 90 15.724 -19.239 -12.444
698 HE1 HIS 90 HE1 HIS 90 18.269 -22.339 -13.765
699 H HIS 91 H HIS 91 15.755 -18.940 -18.575
700 HA HIS 91 HA HIS 91 14.729 -17.939 -20.426
701 HB2 HIS 91 2HB HIS 91 12.804 -18.090 -18.843
702 HB3 HIS 91 3HB HIS 91 13.183 -16.463 -18.276
703 HD1 HIS 91 HD1 HIS 91 12.798 -14.489 -19.946
704 HD2 HIS 91 HD2 HIS 91 11.573 -18.198 -21.398
705 HE1 HIS 91 HE1 HIS 91 11.388 -14.024 -21.998
706 H HIS 92 H HIS 92 16.626 -16.763 -21.098
707 HA HIS 92 HA HIS 92 17.880 -14.833 -21.585
708 HB2 HIS 92 2HB HIS 92 15.086 -13.676 -21.336
709 HB3 HIS 92 3HB HIS 92 16.459 -12.810 -22.023
710 HD1 HIS 92 HD1 HIS 92 14.146 -15.703 -22.688
711 HD2 HIS 92 HD2 HIS 92 17.242 -13.676 -24.608
712 HE1 HIS 92 HE1 HIS 92 14.165 -16.527 -25.083
Start of MODEL 15
1 H1 MET 1 1H MET 1 -6.169 -16.627 12.661
2 H2 MET 1 2H MET 1 -4.861 -15.894 11.862
3 H3 MET 1 3H MET 1 -4.828 -17.559 12.207
4 HA MET 1 HA MET 1 -5.313 -17.210 9.890
5 HB2 MET 1 2HB MET 1 -7.538 -18.228 11.663
6 HB3 MET 1 3HB MET 1 -7.612 -18.387 9.915
7 HG2 MET 1 2HG MET 1 -5.601 -19.724 9.874
8 HG3 MET 1 3HG MET 1 -5.301 -19.407 11.583
9 HE1 MET 1 3HE MET 1 -4.994 -22.166 11.083
10 HE2 MET 1 1HE MET 1 -6.127 -23.019 12.138
11 HE3 MET 1 2HE MET 1 -5.263 -21.602 12.728
12 HA PRO 2 HA PRO 2 -7.434 -13.515 8.566
13 HB2 PRO 2 2HB PRO 2 -9.317 -15.251 6.978
14 HB3 PRO 2 3HB PRO 2 -8.377 -13.842 6.451
15 HG2 PRO 2 2HG PRO 2 -7.665 -16.405 5.870
16 HG3 PRO 2 3HG PRO 2 -6.489 -15.091 6.048
17 HD2 PRO 2 2HD PRO 2 -6.974 -17.388 7.862
18 HD3 PRO 2 3HD PRO 2 -5.572 -16.298 7.775
19 H HIS 3 H HIS 3 -9.058 -12.324 9.534
20 HA HIS 3 HA HIS 3 -10.944 -13.678 11.320
21 HB2 HIS 3 2HB HIS 3 -10.582 -10.757 10.575
22 HB3 HIS 3 3HB HIS 3 -11.714 -11.333 11.797
23 HD1 HIS 3 HD1 HIS 3 -8.081 -10.756 11.162
24 HD2 HIS 3 HD2 HIS 3 -10.472 -12.362 14.175
25 HE1 HIS 3 HE1 HIS 3 -6.599 -10.992 13.202
26 H LYS 4 H LYS 4 -12.050 -10.934 9.468
27 HA LYS 4 HA LYS 4 -14.410 -12.482 8.557
28 HB2 LYS 4 2HB LYS 4 -13.801 -9.551 8.054
29 HB3 LYS 4 3HB LYS 4 -15.367 -10.351 7.993
30 HG2 LYS 4 2HG LYS 4 -13.676 -9.941 10.478
31 HG3 LYS 4 3HG LYS 4 -15.132 -9.045 10.061
32 HD2 LYS 4 2HD LYS 4 -16.373 -11.266 10.071
33 HD3 LYS 4 3HD LYS 4 -14.915 -11.991 10.754
34 HE2 LYS 4 2HE LYS 4 -15.002 -10.452 12.658
35 HE3 LYS 4 3HE LYS 4 -16.444 -9.692 11.989
36 HZ1 LYS 4 3HZ LYS 4 -16.282 -11.982 13.582
37 HZ2 LYS 4 1HZ LYS 4 -16.856 -12.457 12.058
38 HZ3 LYS 4 2HZ LYS 4 -17.670 -11.250 12.932
39 H GLU 5 H GLU 5 -14.813 -10.785 6.205
40 HA GLU 5 HA GLU 5 -13.408 -12.420 4.268
41 HB2 GLU 5 2HB GLU 5 -15.105 -9.920 3.964
42 HB3 GLU 5 3HB GLU 5 -14.502 -10.878 2.610
43 HG2 GLU 5 2HG GLU 5 -15.703 -12.847 3.418
44 HG3 GLU 5 3HG GLU 5 -16.242 -11.965 4.845
45 H LYS 6 H LYS 6 -11.592 -10.969 5.988
46 HA LYS 6 HA LYS 6 -10.525 -8.686 4.508
47 HB2 LYS 6 2HB LYS 6 -10.340 -9.010 7.001
48 HB3 LYS 6 3HB LYS 6 -9.197 -10.316 6.704
49 HG2 LYS 6 2HG LYS 6 -7.726 -8.750 5.479
50 HG3 LYS 6 3HG LYS 6 -8.864 -7.444 5.782
51 HD2 LYS 6 2HD LYS 6 -7.544 -9.048 7.995
52 HD3 LYS 6 3HD LYS 6 -6.875 -7.544 7.372
53 HE2 LYS 6 2HE LYS 6 -9.178 -6.491 7.923
54 HE3 LYS 6 3HE LYS 6 -9.467 -7.943 8.879
55 HZ1 LYS 6 3HZ LYS 6 -7.054 -6.266 9.201
56 HZ2 LYS 6 1HZ LYS 6 -7.615 -7.493 10.230
57 HZ3 LYS 6 2HZ LYS 6 -8.474 -6.033 10.104
58 H HIS 7 H HIS 7 -10.175 -12.118 4.417
59 HA HIS 7 HA HIS 7 -8.923 -13.513 3.045
60 HB2 HIS 7 2HB HIS 7 -7.999 -11.092 1.483
61 HB3 HIS 7 3HB HIS 7 -8.332 -12.711 0.890
62 HD1 HIS 7 HD1 HIS 7 -11.046 -13.413 1.481
63 HD2 HIS 7 HD2 HIS 7 -10.083 -9.406 0.846
64 HE1 HIS 7 HE1 HIS 7 -13.212 -12.240 0.893
65 HA PRO 8 HA PRO 8 -4.868 -13.695 4.883
66 HB2 PRO 8 2HB PRO 8 -3.694 -14.220 2.164
67 HB3 PRO 8 3HB PRO 8 -3.511 -15.144 3.667
68 HG2 PRO 8 2HG PRO 8 -5.140 -15.904 1.596
69 HG3 PRO 8 3HG PRO 8 -5.398 -16.383 3.281
70 HD2 PRO 8 2HD PRO 8 -7.004 -14.521 1.649
71 HD3 PRO 8 3HD PRO 8 -7.405 -15.266 3.211
72 H LEU 9 H LEU 9 -2.957 -12.400 5.095
73 HA LEU 9 HA LEU 9 -3.186 -9.698 4.186
74 HB2 LEU 9 2HB LEU 9 -0.653 -11.074 5.141
75 HB3 LEU 9 3HB LEU 9 -1.018 -9.351 5.205
76 HG LEU 9 HG LEU 9 -2.520 -11.521 6.707
77 HD11 LEU 9 1HD1 LEU 9 -0.563 -9.418 7.683
78 HD12 LEU 9 2HD1 LEU 9 -0.228 -11.145 7.545
79 HD13 LEU 9 3HD1 LEU 9 -1.432 -10.569 8.698
80 HD21 LEU 9 3HD2 LEU 9 -2.839 -8.507 6.537
81 HD22 LEU 9 1HD2 LEU 9 -3.402 -9.407 7.945
82 HD23 LEU 9 2HD2 LEU 9 -4.074 -9.756 6.361
83 H GLN 10 H GLN 10 -1.225 -12.430 3.036
84 HA GLN 10 HA GLN 10 0.287 -11.005 1.084
85 HB2 GLN 10 2HB GLN 10 0.703 -13.373 1.844
86 HB3 GLN 10 3HB GLN 10 -0.700 -13.871 0.900
87 HG2 GLN 10 2HG GLN 10 0.357 -13.002 -1.149
88 HG3 GLN 10 3HG GLN 10 1.746 -12.474 -0.203
89 HE21 GLN 10 1HE2 GLN 10 3.378 -13.904 -0.917
90 HE22 GLN 10 2HE2 GLN 10 3.251 -15.596 -0.833
91 H ASP 11 H ASP 11 -2.781 -12.808 0.751
92 HA ASP 11 HA ASP 11 -3.180 -12.059 -1.998
93 HB2 ASP 11 2HB ASP 11 -4.305 -13.995 -0.841
94 HB3 ASP 11 3HB ASP 11 -5.301 -12.831 0.034
95 H MET 12 H MET 12 -3.980 -10.536 1.075
96 HA MET 12 HA MET 12 -5.903 -8.660 0.100
97 HB2 MET 12 2HB MET 12 -5.472 -9.176 2.513
98 HB3 MET 12 3HB MET 12 -3.943 -8.310 2.386
99 HG2 MET 12 2HG MET 12 -5.104 -6.246 1.827
100 HG3 MET 12 3HG MET 12 -6.652 -7.094 1.789
101 HE1 MET 12 3HE MET 12 -8.200 -6.477 3.631
102 HE2 MET 12 1HE MET 12 -7.282 -4.988 3.368
103 HE3 MET 12 2HE MET 12 -7.646 -5.523 5.004
104 H PHE 13 H PHE 13 -2.482 -7.990 0.960
105 HA PHE 13 HA PHE 13 -2.422 -5.465 -0.378
106 HB2 PHE 13 2HB PHE 13 -0.161 -7.364 0.316
107 HB3 PHE 13 3HB PHE 13 0.064 -5.706 -0.230
108 HD1 PHE 13 HD1 PHE 13 -1.329 -3.873 1.066
109 HD2 PHE 13 HD2 PHE 13 -0.310 -7.733 2.667
110 HE1 PHE 13 HE1 PHE 13 -1.658 -3.014 3.367
111 HE2 PHE 13 HE2 PHE 13 -0.644 -6.867 4.963
112 HZ PHE 13 HZ PHE 13 -1.318 -4.509 5.315
113 H THR 14 H THR 14 -1.424 -8.713 -1.466
114 HA THR 14 HA THR 14 -0.340 -7.915 -3.971
115 HB THR 14 HB THR 14 -1.756 -10.498 -3.240
116 HG1 THR 14 HG1 THR 14 0.469 -9.443 -2.378
117 HG21 THR 14 3HG2 THR 14 -1.595 -10.361 -5.644
118 HG22 THR 14 1HG2 THR 14 -0.300 -11.422 -5.089
119 HG23 THR 14 2HG2 THR 14 0.061 -9.758 -5.547
120 H SER 15 H SER 15 -3.676 -8.893 -3.129
121 HA SER 15 HA SER 15 -4.729 -8.654 -5.770
122 HB2 SER 15 2HB SER 15 -6.101 -8.259 -3.097
123 HB3 SER 15 3HB SER 15 -6.934 -8.432 -4.638
124 HG SER 15 HG SER 15 -5.039 -10.325 -3.741
125 H ALA 16 H ALA 16 -4.524 -6.249 -3.125
126 HA ALA 16 HA ALA 16 -5.829 -4.160 -4.642
127 HB1 ALA 16 3HB ALA 16 -4.889 -2.663 -2.865
128 HB2 ALA 16 1HB ALA 16 -4.015 -4.053 -2.221
129 HB3 ALA 16 2HB ALA 16 -5.773 -4.041 -2.222
130 H ILE 17 H ILE 17 -2.384 -4.849 -3.938
131 HA ILE 17 HA ILE 17 -1.333 -2.575 -5.303
132 HB ILE 17 HB ILE 17 -0.160 -5.323 -4.768
133 HG12 ILE 17 2HG1 ILE 17 0.439 -2.667 -3.407
134 HG13 ILE 17 3HG1 ILE 17 -0.809 -3.763 -2.824
135 HG21 ILE 17 1HG2 ILE 17 2.071 -4.089 -5.111
136 HG22 ILE 17 2HG2 ILE 17 1.133 -2.818 -5.891
137 HG23 ILE 17 3HG2 ILE 17 1.153 -4.440 -6.571
138 HD11 ILE 17 3HD1 ILE 17 1.283 -4.179 -1.620
139 HD12 ILE 17 1HD1 ILE 17 2.132 -4.434 -3.143
140 HD13 ILE 17 2HD1 ILE 17 0.888 -5.568 -2.622
141 H GLU 18 H GLU 18 -1.899 -5.904 -6.454
142 HA GLU 18 HA GLU 18 -0.932 -5.402 -9.118
143 HB2 GLU 18 2HB GLU 18 -1.201 -7.673 -8.090
144 HB3 GLU 18 3HB GLU 18 -2.949 -7.487 -8.235
145 HG2 GLU 18 2HG GLU 18 -2.750 -7.261 -10.668
146 HG3 GLU 18 3HG GLU 18 -0.993 -7.355 -10.551
147 H ALA 19 H ALA 19 -4.121 -5.133 -7.606
148 HA ALA 19 HA ALA 19 -5.604 -4.735 -10.025
149 HB1 ALA 19 3HB ALA 19 -6.146 -3.777 -7.202
150 HB2 ALA 19 1HB ALA 19 -6.743 -5.263 -7.941
151 HB3 ALA 19 2HB ALA 19 -7.309 -3.696 -8.523
152 H VAL 20 H VAL 20 -3.927 -2.454 -7.855
153 HA VAL 20 HA VAL 20 -4.647 -0.185 -9.675
154 HB VAL 20 HB VAL 20 -3.995 1.278 -7.901
155 HG11 VAL 20 1HG1 VAL 20 -5.320 -1.131 -6.623
156 HG12 VAL 20 2HG1 VAL 20 -6.155 0.069 -7.611
157 HG13 VAL 20 3HG1 VAL 20 -5.428 0.542 -6.075
158 HG21 VAL 20 3HG2 VAL 20 -2.664 -1.176 -6.717
159 HG22 VAL 20 1HG2 VAL 20 -3.017 0.247 -5.736
160 HG23 VAL 20 2HG2 VAL 20 -1.929 0.369 -7.117
161 H ALA 21 H ALA 21 -2.222 -2.460 -9.464
162 HA ALA 21 HA ALA 21 0.161 -0.911 -9.675
163 HB1 ALA 21 3HB ALA 21 1.000 -2.920 -11.060
164 HB2 ALA 21 1HB ALA 21 -0.602 -3.618 -10.806
165 HB3 ALA 21 2HB ALA 21 0.444 -3.272 -9.428
166 H ARG 22 H ARG 22 -2.080 -2.074 -12.201
167 HA ARG 22 HA ARG 22 -2.294 -1.406 -14.447
168 HB2 ARG 22 2HB ARG 22 -1.678 1.174 -12.987
169 HB3 ARG 22 3HB ARG 22 -2.229 1.125 -14.662
170 HG2 ARG 22 2HG ARG 22 -4.316 0.063 -14.016
171 HG3 ARG 22 3HG ARG 22 -3.746 -0.157 -12.359
172 HD2 ARG 22 2HD ARG 22 -4.102 2.056 -11.787
173 HD3 ARG 22 3HD ARG 22 -3.710 2.670 -13.386
174 HE ARG 22 HE ARG 22 -6.067 1.512 -13.959
175 HH11 ARG 22 1HH2 ARG 22 -5.230 3.160 -11.010
176 HH12 ARG 22 2HH2 ARG 22 -6.691 4.068 -10.967
177 HH21 ARG 22 1HH1 ARG 22 -7.953 2.790 -13.895
178 HH22 ARG 22 2HH1 ARG 22 -8.200 3.869 -12.564
179 H ASP 23 H ASP 23 0.315 -2.374 -13.687
180 HA ASP 23 HA ASP 23 2.511 -2.479 -14.467
181 HB2 ASP 23 2HB ASP 23 1.138 -1.207 -16.857
182 HB3 ASP 23 3HB ASP 23 2.796 -1.800 -16.883
183 H SER 24 H SER 24 1.258 0.232 -13.363
184 HA SER 24 HA SER 24 3.158 2.216 -14.384
185 HB2 SER 24 2HB SER 24 2.154 3.716 -12.774
186 HB3 SER 24 3HB SER 24 0.860 2.793 -13.533
187 HG SER 24 HG SER 24 0.647 2.843 -11.260
188 H GLY 25 H GLY 25 4.629 3.360 -12.815
189 HA2 GLY 25 2HA GLY 25 6.519 1.588 -11.686
190 HA3 GLY 25 3HA GLY 25 6.420 3.306 -11.299
191 H TRP 26 H TRP 26 6.062 0.210 -10.071
192 HA TRP 26 HA TRP 26 5.165 -0.656 -8.048
193 HB2 TRP 26 2HB TRP 26 5.991 2.154 -7.250
194 HB3 TRP 26 3HB TRP 26 5.589 0.880 -6.101
195 HD1 TRP 26 HD1 TRP 26 7.977 1.322 -9.125
196 HE1 TRP 26 HE1 TRP 26 10.189 0.117 -8.576
197 HE3 TRP 26 HE3 TRP 26 6.824 -0.592 -4.532
198 HZ2 TRP 26 HZ2 TRP 26 11.321 -1.448 -6.467
199 HZ3 TRP 26 HZ3 TRP 26 8.488 -1.931 -3.273
200 HH2 TRP 26 HH2 TRP 26 10.734 -2.363 -4.236
201 H ALA 27 H ALA 27 3.774 0.590 -5.958
202 HA ALA 27 HA ALA 27 1.314 1.769 -7.223
203 HB1 ALA 27 3HB ALA 27 0.834 -0.597 -6.902
204 HB2 ALA 27 1HB ALA 27 -0.028 0.319 -5.665
205 HB3 ALA 27 2HB ALA 27 1.456 -0.537 -5.254
206 H GLU 28 H GLU 28 0.534 3.492 -6.067
207 HA GLU 28 HA GLU 28 2.026 4.509 -3.819
208 HB2 GLU 28 2HB GLU 28 -0.655 5.302 -4.983
209 HB3 GLU 28 3HB GLU 28 0.169 6.201 -3.707
210 HG2 GLU 28 2HG GLU 28 2.087 6.593 -5.168
211 HG3 GLU 28 3HG GLU 28 1.358 5.607 -6.434
212 H LEU 29 H LEU 29 1.686 4.207 -1.651
213 HA LEU 29 HA LEU 29 0.099 2.082 -0.688
214 HB2 LEU 29 2HB LEU 29 2.032 3.175 0.521
215 HB3 LEU 29 3HB LEU 29 0.970 4.532 0.874
216 HG LEU 29 HG LEU 29 -0.581 2.952 2.062
217 HD11 LEU 29 1HD1 LEU 29 0.661 0.735 2.773
218 HD12 LEU 29 2HD1 LEU 29 1.573 0.979 1.294
219 HD13 LEU 29 3HD1 LEU 29 -0.176 0.792 1.232
220 HD21 LEU 29 3HD2 LEU 29 1.145 4.289 3.260
221 HD22 LEU 29 1HD2 LEU 29 2.273 2.950 3.084
222 HD23 LEU 29 2HD2 LEU 29 0.830 2.755 4.063
223 H SER 30 H SER 30 -0.611 5.559 -0.912
224 HA SER 30 HA SER 30 -3.056 5.591 0.524
225 HB2 SER 30 2HB SER 30 -3.615 7.575 -0.852
226 HB3 SER 30 3HB SER 30 -1.951 7.640 -0.281
227 HG SER 30 HG SER 30 -2.006 8.111 -2.478
228 H ALA 31 H ALA 31 -2.406 4.786 -2.887
229 HA ALA 31 HA ALA 31 -5.153 4.430 -3.639
230 HB1 ALA 31 3HB ALA 31 -3.422 4.644 -5.340
231 HB2 ALA 31 1HB ALA 31 -4.208 3.076 -5.520
232 HB3 ALA 31 2HB ALA 31 -2.624 3.184 -4.756
233 H VAL 32 H VAL 32 -2.740 2.234 -2.243
234 HA VAL 32 HA VAL 32 -4.239 -0.183 -2.507
235 HB VAL 32 HB VAL 32 -2.217 0.657 -0.404
236 HG11 VAL 32 1HG1 VAL 32 -3.413 -1.238 0.473
237 HG12 VAL 32 2HG1 VAL 32 -1.904 -1.862 -0.179
238 HG13 VAL 32 3HG1 VAL 32 -3.397 -2.047 -1.090
239 HG21 VAL 32 3HG2 VAL 32 -0.655 -0.658 -1.831
240 HG22 VAL 32 1HG2 VAL 32 -1.338 0.724 -2.688
241 HG23 VAL 32 2HG2 VAL 32 -1.957 -0.898 -2.997
242 H GLY 33 H GLY 33 -4.043 2.134 0.215
243 HA2 GLY 33 2HA GLY 33 -5.882 0.764 1.905
244 HA3 GLY 33 3HA GLY 33 -5.531 2.491 1.998
245 H SER 34 H SER 34 -6.448 3.394 -0.453
246 HA SER 34 HA SER 34 -9.268 3.578 -0.009
247 HB2 SER 34 2HB SER 34 -7.729 4.136 -2.561
248 HB3 SER 34 3HB SER 34 -9.347 4.714 -2.183
249 HG SER 34 HG SER 34 -7.039 5.244 -0.613
250 H TYR 35 H TYR 35 -7.366 1.643 -2.314
251 HA TYR 35 HA TYR 35 -9.574 0.488 -3.703
252 HB2 TYR 35 2HB TYR 35 -7.224 0.350 -4.485
253 HB3 TYR 35 3HB TYR 35 -6.850 -0.722 -3.136
254 HD1 TYR 35 HD1 TYR 35 -7.778 -3.013 -3.039
255 HD2 TYR 35 HD2 TYR 35 -8.539 -0.435 -6.392
256 HE1 TYR 35 HE1 TYR 35 -8.552 -4.960 -4.363
257 HE2 TYR 35 HE2 TYR 35 -9.315 -2.383 -7.711
258 HH TYR 35 HH TYR 35 -8.724 -5.547 -6.837
259 H LEU 36 H LEU 36 -7.738 -0.698 -0.877
260 HA LEU 36 HA LEU 36 -9.240 -3.106 -0.536
261 HB2 LEU 36 2HB LEU 36 -7.734 -1.404 1.467
262 HB3 LEU 36 3HB LEU 36 -8.367 -3.003 1.832
263 HG LEU 36 HG LEU 36 -6.446 -2.503 -0.469
264 HD11 LEU 36 1HD1 LEU 36 -4.645 -3.281 1.005
265 HD12 LEU 36 2HD1 LEU 36 -5.779 -3.426 2.345
266 HD13 LEU 36 3HD1 LEU 36 -5.395 -1.838 1.686
267 HD21 LEU 36 3HD2 LEU 36 -5.992 -5.003 -0.020
268 HD22 LEU 36 1HD2 LEU 36 -7.544 -4.622 -0.737
269 HD23 LEU 36 2HD2 LEU 36 -7.437 -4.983 0.977
270 H ALA 37 H ALA 37 -9.687 0.166 0.778
271 HA ALA 37 HA ALA 37 -11.823 -0.386 2.555
272 HB1 ALA 37 3HB ALA 37 -10.778 1.829 2.433
273 HB2 ALA 37 1HB ALA 37 -12.512 1.977 2.161
274 HB3 ALA 37 2HB ALA 37 -11.397 2.055 0.797
275 H LYS 38 H LYS 38 -11.891 0.265 -0.942
276 HA LYS 38 HA LYS 38 -14.747 0.163 -1.227
277 HB2 LYS 38 2HB LYS 38 -12.501 -0.409 -3.188
278 HB3 LYS 38 3HB LYS 38 -14.202 -0.306 -3.644
279 HG2 LYS 38 2HG LYS 38 -14.327 1.999 -2.912
280 HG3 LYS 38 3HG LYS 38 -12.705 1.921 -2.225
281 HD2 LYS 38 2HD LYS 38 -12.664 3.053 -4.408
282 HD3 LYS 38 3HD LYS 38 -11.760 1.543 -4.472
283 HE2 LYS 38 2HE LYS 38 -14.673 1.517 -5.256
284 HE3 LYS 38 3HE LYS 38 -13.477 2.114 -6.402
285 HZ1 LYS 38 3HZ LYS 38 -12.999 0.030 -6.890
286 HZ2 LYS 38 1HZ LYS 38 -14.056 -0.552 -5.697
287 HZ3 LYS 38 2HZ LYS 38 -12.439 -0.206 -5.306
288 H ASN 39 H ASN 39 -12.206 -2.318 -1.511
289 HA ASN 39 HA ASN 39 -14.215 -4.447 -1.987
290 HB2 ASN 39 2HB ASN 39 -11.194 -4.515 -1.706
291 HB3 ASN 39 3HB ASN 39 -12.195 -5.918 -2.074
292 HD21 ASN 39 1HD2 ASN 39 -13.951 -3.763 -3.653
293 HD22 ASN 39 2HD2 ASN 39 -13.145 -3.686 -5.143
294 H ASP 40 H ASP 40 -13.376 -2.803 0.670
295 HA ASP 40 HA ASP 40 -13.934 -5.114 2.471
296 HB2 ASP 40 2HB ASP 40 -11.405 -4.693 2.280
297 HB3 ASP 40 3HB ASP 40 -11.696 -3.153 3.081
298 HA PRO 41 HA PRO 41 -16.385 -1.227 3.320
299 HB2 PRO 41 2HB PRO 41 -18.452 -3.252 4.090
300 HB3 PRO 41 3HB PRO 41 -18.603 -1.840 3.023
301 HG2 PRO 41 2HG PRO 41 -18.548 -4.339 2.036
302 HG3 PRO 41 3HG PRO 41 -17.792 -2.982 1.173
303 HD2 PRO 41 2HD PRO 41 -16.462 -5.126 2.829
304 HD3 PRO 41 3HD PRO 41 -15.920 -4.384 1.303
305 H SER 42 H SER 42 -17.114 -0.406 5.393
306 HA SER 42 HA SER 42 -17.091 -0.216 7.728
307 HB2 SER 42 2HB SER 42 -17.622 -2.106 8.983
308 HB3 SER 42 3HB SER 42 -18.021 -2.718 7.379
309 HG SER 42 HG SER 42 -15.497 -2.989 8.674
310 H PHE 43 H PHE 43 -14.556 -1.168 5.816
311 HA PHE 43 HA PHE 43 -12.544 -1.494 7.942
312 HB2 PHE 43 2HB PHE 43 -12.374 -2.627 5.698
313 HB3 PHE 43 3HB PHE 43 -12.116 -1.043 4.974
314 HD1 PHE 43 HD1 PHE 43 -10.825 -3.134 7.826
315 HD2 PHE 43 HD2 PHE 43 -9.864 -0.337 4.705
316 HE1 PHE 43 HE1 PHE 43 -8.427 -3.291 8.420
317 HE2 PHE 43 HE2 PHE 43 -7.460 -0.504 5.311
318 HZ PHE 43 HZ PHE 43 -6.745 -1.974 7.165
319 H ASP 44 H ASP 44 -11.301 0.096 8.760
320 HA ASP 44 HA ASP 44 -11.549 2.890 7.653
321 HB2 ASP 44 2HB ASP 44 -11.270 1.929 10.513
322 HB3 ASP 44 3HB ASP 44 -11.205 3.621 10.019
323 HA PRO 45 HA PRO 45 -7.071 1.546 7.275
324 HB2 PRO 45 2HB PRO 45 -7.100 4.002 5.533
325 HB3 PRO 45 3HB PRO 45 -6.393 2.405 5.212
326 HG2 PRO 45 2HG PRO 45 -8.661 3.185 4.023
327 HG3 PRO 45 3HG PRO 45 -8.413 1.509 4.524
328 HD2 PRO 45 2HD PRO 45 -10.112 3.616 5.827
329 HD3 PRO 45 3HD PRO 45 -10.388 1.861 5.723
330 H ARG 46 H ARG 46 -8.514 4.693 7.736
331 HA ARG 46 HA ARG 46 -6.306 6.139 8.731
332 HB2 ARG 46 2HB ARG 46 -9.259 6.320 9.372
333 HB3 ARG 46 3HB ARG 46 -8.093 7.587 9.698
334 HG2 ARG 46 2HG ARG 46 -8.636 6.457 6.923
335 HG3 ARG 46 3HG ARG 46 -9.419 7.902 7.550
336 HD2 ARG 46 2HD ARG 46 -6.468 7.501 6.946
337 HD3 ARG 46 3HD ARG 46 -7.566 8.697 6.266
338 HE ARG 46 HE ARG 46 -6.369 8.755 8.987
339 HH11 ARG 46 1HH2 ARG 46 -8.166 10.363 6.504
340 HH12 ARG 46 2HH2 ARG 46 -8.713 11.625 7.554
341 HH21 ARG 46 1HH1 ARG 46 -7.136 10.367 10.354
342 HH22 ARG 46 2HH1 ARG 46 -8.144 11.623 9.719
343 H ASN 47 H ASN 47 -8.587 3.985 10.370
344 HA ASN 47 HA ASN 47 -7.742 4.606 13.036
345 HB2 ASN 47 2HB ASN 47 -8.904 2.070 11.843
346 HB3 ASN 47 3HB ASN 47 -8.663 2.316 13.571
347 HD21 ASN 47 1HD2 ASN 47 -9.355 5.365 12.653
348 HD22 ASN 47 2HD2 ASN 47 -11.048 5.348 12.762
349 H TRP 48 H TRP 48 -6.534 2.351 10.587
350 HA TRP 48 HA TRP 48 -4.556 1.145 12.372
351 HB2 TRP 48 2HB TRP 48 -4.963 1.093 9.361
352 HB3 TRP 48 3HB TRP 48 -3.650 0.229 10.160
353 HD1 TRP 48 HD1 TRP 48 -7.440 0.222 9.749
354 HE1 TRP 48 HE1 TRP 48 -8.366 -2.016 10.639
355 HE3 TRP 48 HE3 TRP 48 -3.202 -1.718 11.827
356 HZ2 TRP 48 HZ2 TRP 48 -7.428 -4.326 12.046
357 HZ3 TRP 48 HZ3 TRP 48 -3.241 -3.937 12.932
358 HH2 TRP 48 HH2 TRP 48 -5.348 -5.242 13.044
359 H GLY 49 H GLY 49 -4.663 4.191 11.754
360 HA2 GLY 49 2HA GLY 49 -2.894 5.769 11.975
361 HA3 GLY 49 3HA GLY 49 -1.729 4.516 11.557
362 H HIS 50 H HIS 50 -1.821 7.158 10.404
363 HA HIS 50 HA HIS 50 -3.036 6.985 7.748
364 HB2 HIS 50 2HB HIS 50 -2.698 9.144 8.947
365 HB3 HIS 50 3HB HIS 50 -0.954 8.919 8.812
366 HD1 HIS 50 HD1 HIS 50 0.125 9.268 6.499
367 HD2 HIS 50 HD2 HIS 50 -4.015 9.759 6.475
368 HE1 HIS 50 HE1 HIS 50 -0.459 10.309 4.266
369 H GLY 51 H GLY 51 -2.160 5.589 6.282
370 HA2 GLY 51 2HA GLY 51 -0.561 4.482 4.975
371 HA3 GLY 51 3HA GLY 51 0.448 5.912 5.226
372 H ARG 52 H ARG 52 -0.400 4.648 8.199
373 HA ARG 52 HA ARG 52 2.282 3.872 8.838
374 HB2 ARG 52 2HB ARG 52 0.493 4.675 10.444
375 HB3 ARG 52 3HB ARG 52 -0.248 3.085 10.318
376 HG2 ARG 52 2HG ARG 52 1.692 2.007 11.263
377 HG3 ARG 52 3HG ARG 52 2.641 3.485 11.155
378 HD2 ARG 52 2HD ARG 52 2.022 3.414 13.436
379 HD3 ARG 52 3HD ARG 52 0.822 4.493 12.748
380 HE ARG 52 HE ARG 52 0.076 1.624 12.899
381 HH11 ARG 52 1HH2 ARG 52 -0.176 4.839 14.179
382 HH12 ARG 52 2HH2 ARG 52 -1.488 4.444 15.233
383 HH21 ARG 52 1HH1 ARG 52 -1.594 1.117 14.327
384 HH22 ARG 52 2HH1 ARG 52 -2.278 2.356 15.322
385 H LEU 53 H LEU 53 0.098 2.322 6.916
386 HA LEU 53 HA LEU 53 0.304 -0.409 7.768
387 HB2 LEU 53 2HB LEU 53 -0.270 0.928 5.114
388 HB3 LEU 53 3HB LEU 53 -0.096 -0.821 5.201
389 HG LEU 53 HG LEU 53 -1.902 -0.945 6.861
390 HD11 LEU 53 1HD1 LEU 53 -1.690 1.143 8.031
391 HD12 LEU 53 2HD1 LEU 53 -3.263 1.180 7.242
392 HD13 LEU 53 3HD1 LEU 53 -1.909 2.073 6.548
393 HD21 LEU 53 3HD2 LEU 53 -3.761 -0.198 5.372
394 HD22 LEU 53 1HD2 LEU 53 -2.510 -1.075 4.493
395 HD23 LEU 53 2HD2 LEU 53 -2.589 0.683 4.392
396 H SER 54 H SER 54 2.357 1.652 5.725
397 HA SER 54 HA SER 54 4.148 -0.299 4.739
398 HB2 SER 54 2HB SER 54 5.811 1.527 4.622
399 HB3 SER 54 3HB SER 54 4.244 2.045 4.024
400 HG SER 54 HG SER 54 3.938 2.737 6.337
401 H GLN 55 H GLN 55 3.962 1.201 7.929
402 HA GLN 55 HA GLN 55 6.502 0.038 8.833
403 HB2 GLN 55 2HB GLN 55 4.220 1.382 10.319
404 HB3 GLN 55 3HB GLN 55 5.726 0.858 11.076
405 HG2 GLN 55 2HG GLN 55 7.017 2.331 9.612
406 HG3 GLN 55 3HG GLN 55 5.549 2.812 8.763
407 HE21 GLN 55 1HE2 GLN 55 5.161 4.944 9.407
408 HE22 GLN 55 2HE2 GLN 55 5.143 5.476 11.020
409 H MET 56 H MET 56 3.041 -0.749 9.078
410 HA MET 56 HA MET 56 3.341 -2.866 10.992
411 HB2 MET 56 2HB MET 56 1.169 -1.749 10.329
412 HB3 MET 56 3HB MET 56 1.235 -2.646 8.813
413 HG2 MET 56 2HG MET 56 -0.156 -3.915 10.311
414 HG3 MET 56 3HG MET 56 1.376 -4.774 10.213
415 HE1 MET 56 3HE MET 56 -0.144 -5.042 13.900
416 HE2 MET 56 1HE MET 56 0.284 -5.961 12.452
417 HE3 MET 56 2HE MET 56 -1.038 -4.798 12.402
418 H VAL 57 H VAL 57 3.270 -2.876 7.408
419 HA VAL 57 HA VAL 57 3.618 -5.731 7.192
420 HB VAL 57 HB VAL 57 4.163 -5.272 4.847
421 HG11 VAL 57 1HG1 VAL 57 2.089 -4.051 4.259
422 HG12 VAL 57 2HG1 VAL 57 1.948 -3.517 5.933
423 HG13 VAL 57 3HG1 VAL 57 1.804 -5.230 5.540
424 HG21 VAL 57 3HG2 VAL 57 4.166 -2.842 4.105
425 HG22 VAL 57 1HG2 VAL 57 5.591 -3.346 5.014
426 HG23 VAL 57 2HG2 VAL 57 4.325 -2.419 5.806
427 H LYS 58 H LYS 58 5.783 -3.101 7.767
428 HA LYS 58 HA LYS 58 8.214 -4.361 6.892
429 HB2 LYS 58 2HB LYS 58 7.956 -1.914 7.352
430 HB3 LYS 58 3HB LYS 58 7.874 -2.283 9.076
431 HG2 LYS 58 2HG LYS 58 10.105 -3.245 9.033
432 HG3 LYS 58 3HG LYS 58 10.193 -3.062 7.281
433 HD2 LYS 58 2HD LYS 58 10.005 -0.607 7.530
434 HD3 LYS 58 3HD LYS 58 9.960 -0.797 9.284
435 HE2 LYS 58 2HE LYS 58 12.235 -1.702 7.494
436 HE3 LYS 58 3HE LYS 58 12.240 -0.240 8.481
437 HZ1 LYS 58 3HZ LYS 58 11.989 -1.579 10.453
438 HZ2 LYS 58 1HZ LYS 58 13.345 -2.107 9.583
439 HZ3 LYS 58 2HZ LYS 58 11.902 -3.000 9.526
440 H LYS 59 H LYS 59 6.209 -4.780 9.709
441 HA LYS 59 HA LYS 59 8.366 -6.091 11.278
442 HB2 LYS 59 2HB LYS 59 5.414 -5.778 11.920
443 HB3 LYS 59 3HB LYS 59 6.678 -6.281 13.037
444 HG2 LYS 59 2HG LYS 59 6.735 -3.592 11.637
445 HG3 LYS 59 3HG LYS 59 5.938 -3.828 13.184
446 HD2 LYS 59 2HD LYS 59 8.083 -4.640 14.149
447 HD3 LYS 59 3HD LYS 59 8.879 -4.316 12.614
448 HE2 LYS 59 2HE LYS 59 9.245 -2.423 14.084
449 HE3 LYS 59 3HE LYS 59 8.172 -1.934 12.773
450 HZ1 LYS 59 3HZ LYS 59 7.505 -1.287 15.120
451 HZ2 LYS 59 1HZ LYS 59 7.122 -2.921 15.358
452 HZ3 LYS 59 2HZ LYS 59 6.313 -2.024 14.162
453 H LEU 60 H LEU 60 6.141 -7.035 8.902
454 HA LEU 60 HA LEU 60 5.859 -9.814 9.966
455 HB2 LEU 60 2HB LEU 60 4.646 -8.252 7.684
456 HB3 LEU 60 3HB LEU 60 4.556 -10.013 7.669
457 HG LEU 60 HG LEU 60 3.692 -8.536 10.170
458 HD11 LEU 60 1HD1 LEU 60 2.445 -7.332 8.504
459 HD12 LEU 60 2HD1 LEU 60 1.344 -8.509 9.208
460 HD13 LEU 60 3HD1 LEU 60 2.066 -8.811 7.627
461 HD21 LEU 60 3HD2 LEU 60 3.850 -11.052 10.045
462 HD22 LEU 60 1HD2 LEU 60 2.610 -11.019 8.792
463 HD23 LEU 60 2HD2 LEU 60 2.233 -10.467 10.424
464 H ASP 61 H ASP 61 7.988 -7.974 8.184
465 HA ASP 61 HA ASP 61 9.729 -8.470 6.683
466 HB2 ASP 61 2HB ASP 61 9.587 -10.968 8.399
467 HB3 ASP 61 3HB ASP 61 10.911 -10.631 7.282
468 H PHE 62 H PHE 62 7.491 -8.746 5.194
469 HA PHE 62 HA PHE 62 8.175 -11.036 3.461
470 HB2 PHE 62 2HB PHE 62 6.138 -12.188 3.560
471 HB3 PHE 62 3HB PHE 62 6.400 -11.745 5.234
472 HD1 PHE 62 HD2 PHE 62 5.550 -9.120 5.668
473 HD2 PHE 62 HD1 PHE 62 3.879 -11.944 2.892
474 HE1 PHE 62 HE2 PHE 62 3.386 -7.914 5.730
475 HE2 PHE 62 HE1 PHE 62 1.724 -10.740 2.970
476 HZ PHE 62 HZ PHE 62 1.475 -8.729 4.392
477 H LEU 63 H LEU 63 7.684 -7.911 3.637
478 HA LEU 63 HA LEU 63 6.721 -7.735 0.824
479 HB2 LEU 63 2HB LEU 63 5.525 -6.398 3.232
480 HB3 LEU 63 3HB LEU 63 5.619 -5.426 1.773
481 HG LEU 63 HG LEU 63 4.411 -8.212 1.708
482 HD11 LEU 63 1HD1 LEU 63 2.892 -5.630 2.186
483 HD12 LEU 63 2HD1 LEU 63 3.188 -6.850 3.409
484 HD13 LEU 63 3HD1 LEU 63 2.199 -7.238 2.015
485 HD21 LEU 63 3HD2 LEU 63 3.545 -7.586 -0.379
486 HD22 LEU 63 1HD2 LEU 63 5.065 -6.708 -0.396
487 HD23 LEU 63 2HD2 LEU 63 3.584 -5.864 -0.011
488 H THR 64 H THR 64 7.617 -6.019 -0.339
489 HA THR 64 HA THR 64 10.182 -5.002 0.734
490 HB THR 64 HB THR 64 8.840 -4.585 -1.969
491 HG1 THR 64 HG1 THR 64 10.952 -6.209 -2.006
492 HG21 THR 64 3HG2 THR 64 11.214 -4.144 -2.688
493 HG22 THR 64 1HG2 THR 64 11.664 -4.126 -0.982
494 HG23 THR 64 2HG2 THR 64 10.542 -2.919 -1.612
495 H VAL 65 H VAL 65 10.214 -3.014 1.758
496 HA VAL 65 HA VAL 65 7.927 -1.117 1.289
497 HB VAL 65 HB VAL 65 9.829 -1.293 3.651
498 HG11 VAL 65 1HG1 VAL 65 8.801 0.906 3.360
499 HG12 VAL 65 2HG1 VAL 65 8.073 0.084 4.746
500 HG13 VAL 65 3HG1 VAL 65 7.207 0.162 3.209
501 HG21 VAL 65 3HG2 VAL 65 8.502 -3.338 3.547
502 HG22 VAL 65 1HG2 VAL 65 7.028 -2.405 3.286
503 HG23 VAL 65 2HG2 VAL 65 7.871 -2.310 4.833
504 H GLN 66 H GLN 66 8.515 0.578 0.037
505 HA GLN 66 HA GLN 66 11.164 1.879 0.468
506 HB2 GLN 66 2HB GLN 66 10.124 0.885 -2.213
507 HB3 GLN 66 3HB GLN 66 11.440 2.049 -2.048
508 HG2 GLN 66 2HG GLN 66 12.694 0.394 -0.671
509 HG3 GLN 66 3HG GLN 66 11.404 -0.773 -0.937
510 HE21 GLN 66 1HE2 GLN 66 11.565 1.009 -3.758
511 HE22 GLN 66 2HE2 GLN 66 12.634 0.027 -4.637
512 H GLU 67 H GLU 67 11.061 4.103 0.150
513 HA GLU 67 HA GLU 67 8.327 5.235 -0.205
514 HB2 GLU 67 2HB GLU 67 10.935 6.553 0.628
515 HB3 GLU 67 3HB GLU 67 9.354 7.326 0.602
516 HG2 GLU 67 2HG GLU 67 10.036 4.894 2.274
517 HG3 GLU 67 3HG GLU 67 10.003 6.549 2.872
518 H SER 68 H SER 68 7.932 6.904 -1.723
519 HA SER 68 HA SER 68 9.997 7.432 -3.810
520 HB2 SER 68 2HB SER 68 8.601 5.495 -4.585
521 HB3 SER 68 3HB SER 68 7.174 6.515 -4.436
522 HG SER 68 HG SER 68 7.819 7.688 -6.119
523 H ARG 69 H ARG 69 9.954 9.561 -4.343
524 HA ARG 69 HA ARG 69 8.049 11.324 -3.046
525 HB2 ARG 69 2HB ARG 69 9.243 13.094 -4.303
526 HB3 ARG 69 3HB ARG 69 10.335 12.037 -3.409
527 HG2 ARG 69 2HG ARG 69 10.739 10.744 -5.520
528 HG3 ARG 69 3HG ARG 69 9.726 11.901 -6.382
529 HD2 ARG 69 2HD ARG 69 11.583 13.178 -6.694
530 HD3 ARG 69 3HD ARG 69 11.567 13.516 -4.981
531 HE ARG 69 HE ARG 69 12.995 11.061 -5.881
532 HH11 ARG 69 1HH2 ARG 69 13.038 14.186 -4.352
533 HH12 ARG 69 2HH2 ARG 69 14.759 14.262 -4.289
534 HH21 ARG 69 1HH1 ARG 69 15.298 11.236 -5.794
535 HH22 ARG 69 2HH1 ARG 69 15.997 12.642 -5.074
536 H ASN 70 H ASN 70 6.153 12.062 -3.830
537 HA ASN 70 HA ASN 70 5.616 12.125 -6.739
538 HB2 ASN 70 2HB ASN 70 4.006 10.432 -4.807
539 HB3 ASN 70 3HB ASN 70 3.538 10.781 -6.473
540 HD21 ASN 70 1HD2 ASN 70 5.321 10.164 -8.156
541 HD22 ASN 70 2HD2 ASN 70 6.173 8.726 -7.862
542 H GLY 71 H GLY 71 3.724 13.395 -7.237
543 HA2 GLY 71 2HA GLY 71 2.322 15.243 -6.907
544 HA3 GLY 71 3HA GLY 71 1.959 14.525 -5.337
545 H SER 72 H SER 72 2.182 16.116 -3.866
546 HA SER 72 HA SER 72 4.594 17.917 -3.968
547 HB2 SER 72 2HB SER 72 1.869 18.345 -2.712
548 HB3 SER 72 3HB SER 72 3.221 19.470 -2.607
549 HG SER 72 HG SER 72 2.395 18.534 -5.122
550 H LYS 73 H LYS 73 3.716 15.144 -2.556
551 HA LYS 73 HA LYS 73 5.251 15.745 -0.077
552 HB2 LYS 73 2HB LYS 73 3.483 14.501 1.276
553 HB3 LYS 73 3HB LYS 73 3.018 16.107 0.718
554 HG2 LYS 73 2HG LYS 73 1.824 15.093 -1.205
555 HG3 LYS 73 3HG LYS 73 2.270 13.491 -0.619
556 HD2 LYS 73 2HD LYS 73 1.046 13.902 1.474
557 HD3 LYS 73 3HD LYS 73 0.619 15.519 0.918
558 HE2 LYS 73 2HE LYS 73 -0.173 12.929 -0.440
559 HE3 LYS 73 3HE LYS 73 -1.237 13.945 0.528
560 HZ1 LYS 73 3HZ LYS 73 -0.057 14.486 -2.116
561 HZ2 LYS 73 1HZ LYS 73 -0.494 15.777 -1.108
562 HZ3 LYS 73 2HZ LYS 73 -1.669 14.655 -1.605
563 H LEU 74 H LEU 74 6.138 13.853 0.906
564 HA LEU 74 HA LEU 74 6.948 11.830 -0.941
565 HB2 LEU 74 2HB LEU 74 8.250 12.458 1.096
566 HB3 LEU 74 3HB LEU 74 7.006 11.725 2.092
567 HG LEU 74 HG LEU 74 7.454 9.532 1.029
568 HD11 LEU 74 1HD1 LEU 74 9.765 9.503 -0.272
569 HD12 LEU 74 2HD1 LEU 74 9.371 11.182 -0.613
570 HD13 LEU 74 3HD1 LEU 74 8.280 9.896 -1.125
571 HD21 LEU 74 3HD2 LEU 74 9.874 10.959 2.180
572 HD22 LEU 74 1HD2 LEU 74 9.712 9.209 2.046
573 HD23 LEU 74 2HD2 LEU 74 8.621 10.116 3.090
574 H HIS 75 H HIS 75 6.107 9.822 -1.389
575 HA HIS 75 HA HIS 75 3.636 8.942 0.103
576 HB2 HIS 75 2HB HIS 75 4.266 9.060 -2.848
577 HB3 HIS 75 3HB HIS 75 3.161 7.820 -2.259
578 HD1 HIS 75 HD1 HIS 75 0.962 8.653 -1.067
579 HD2 HIS 75 HD2 HIS 75 3.171 11.660 -2.925
580 HE1 HIS 75 HE1 HIS 75 -0.566 10.662 -1.235
581 H SER 76 H SER 76 3.664 6.908 0.853
582 HA SER 76 HA SER 76 6.124 5.343 0.683
583 HB2 SER 76 2HB SER 76 4.750 3.705 2.067
584 HB3 SER 76 3HB SER 76 4.916 5.309 2.771
585 HG SER 76 HG SER 76 2.784 4.882 1.036
586 H GLU 77 H GLU 77 6.164 3.112 -0.120
587 HA GLU 77 HA GLU 77 3.986 2.291 -1.978
588 HB2 GLU 77 2HB GLU 77 6.885 2.666 -2.806
589 HB3 GLU 77 3HB GLU 77 5.710 1.742 -3.742
590 HG2 GLU 77 2HG GLU 77 4.280 3.750 -3.920
591 HG3 GLU 77 3HG GLU 77 5.473 4.678 -3.013
592 H ILE 78 H ILE 78 3.864 0.053 -2.181
593 HA ILE 78 HA ILE 78 5.927 -1.602 -0.753
594 HB ILE 78 HB ILE 78 3.997 -2.994 0.103
595 HG12 ILE 78 2HG1 ILE 78 2.356 -0.547 -0.653
596 HG13 ILE 78 3HG1 ILE 78 2.337 -2.050 -1.568
597 HG21 ILE 78 1HG2 ILE 78 5.191 -1.321 1.512
598 HG22 ILE 78 2HG2 ILE 78 3.497 -1.497 1.968
599 HG23 ILE 78 3HG2 ILE 78 4.015 -0.101 1.022
600 HD11 ILE 78 3HD1 ILE 78 0.468 -2.098 -0.039
601 HD12 ILE 78 1HD1 ILE 78 1.503 -1.665 1.320
602 HD13 ILE 78 2HD1 ILE 78 1.664 -3.246 0.555
603 H ARG 79 H ARG 79 6.138 -3.742 -1.568
604 HA ARG 79 HA ARG 79 4.484 -4.597 -3.857
605 HB2 ARG 79 2HB ARG 79 6.248 -3.069 -4.836
606 HB3 ARG 79 3HB ARG 79 7.472 -4.185 -4.231
607 HG2 ARG 79 2HG ARG 79 6.446 -6.016 -5.556
608 HG3 ARG 79 3HG ARG 79 5.255 -4.882 -6.190
609 HD2 ARG 79 2HD ARG 79 7.279 -3.471 -6.989
610 HD3 ARG 79 3HD ARG 79 8.236 -4.919 -6.682
611 HE ARG 79 HE ARG 79 5.866 -5.308 -8.398
612 HH11 ARG 79 1HH2 ARG 79 9.293 -4.859 -8.133
613 HH12 ARG 79 2HH2 ARG 79 9.589 -5.218 -9.798
614 HH21 ARG 79 1HH1 ARG 79 6.260 -5.712 -10.575
615 HH22 ARG 79 2HH1 ARG 79 7.885 -5.689 -11.171
616 H LEU 80 H LEU 80 4.770 -6.847 -4.270
617 HA LEU 80 HA LEU 80 5.547 -8.393 -1.985
618 HB2 LEU 80 2HB LEU 80 3.972 -8.899 -4.111
619 HB3 LEU 80 3HB LEU 80 5.425 -9.647 -4.738
620 HG LEU 80 HG LEU 80 4.132 -11.348 -3.630
621 HD11 LEU 80 1HD1 LEU 80 6.305 -10.696 -1.634
622 HD12 LEU 80 2HD1 LEU 80 6.681 -11.224 -3.272
623 HD13 LEU 80 3HD1 LEU 80 5.760 -12.271 -2.199
624 HD21 LEU 80 3HD2 LEU 80 4.278 -10.055 -0.909
625 HD22 LEU 80 1HD2 LEU 80 3.095 -11.160 -1.581
626 HD23 LEU 80 2HD2 LEU 80 3.049 -9.470 -2.023
627 H ARG 81 H ARG 81 7.515 -9.220 -1.430
628 HA ARG 81 HA ARG 81 9.881 -8.401 -2.913
629 HB2 ARG 81 2HB ARG 81 11.078 -9.740 -1.155
630 HB3 ARG 81 3HB ARG 81 9.980 -8.530 -0.502
631 HG2 ARG 81 2HG ARG 81 8.266 -10.259 -0.156
632 HG3 ARG 81 3HG ARG 81 9.340 -11.471 -0.853
633 HD2 ARG 81 2HD ARG 81 9.408 -11.478 1.619
634 HD3 ARG 81 3HD ARG 81 10.971 -11.097 0.917
635 HE ARG 81 HE ARG 81 9.695 -8.622 1.314
636 HH11 ARG 81 1HH2 ARG 81 10.635 -11.331 3.233
637 HH12 ARG 81 2HH2 ARG 81 11.082 -10.366 4.599
638 HH21 ARG 81 1HH1 ARG 81 10.298 -7.362 3.057
639 HH22 ARG 81 2HH1 ARG 81 10.895 -8.115 4.498
640 H HIS 82 H HIS 82 8.146 -10.043 -4.495
641 HA HIS 82 HA HIS 82 9.229 -12.757 -4.596
642 HB2 HIS 82 2HB HIS 82 7.881 -12.815 -6.767
643 HB3 HIS 82 3HB HIS 82 6.958 -12.464 -5.307
644 HD1 HIS 82 HD1 HIS 82 8.915 -9.550 -6.047
645 HD2 HIS 82 HD2 HIS 82 5.326 -11.097 -7.502
646 HE1 HIS 82 HE1 HIS 82 7.724 -7.636 -7.202
647 H ASP 83 H ASP 83 8.963 -11.324 -7.700
648 HA ASP 83 HA ASP 83 11.633 -12.022 -8.443
649 HB2 ASP 83 2HB ASP 83 9.762 -11.817 -10.055
650 HB3 ASP 83 3HB ASP 83 9.731 -10.073 -9.788
651 H GLY 84 H GLY 84 13.516 -10.866 -8.365
652 HA2 GLY 84 2HA GLY 84 13.902 -8.115 -8.517
653 HA3 GLY 84 3HA GLY 84 13.623 -8.426 -6.804
654 H LEU 85 H LEU 85 14.911 -10.739 -6.284
655 HA LEU 85 HA LEU 85 17.662 -9.973 -6.224
656 HB2 LEU 85 2HB LEU 85 16.680 -11.510 -4.573
657 HB3 LEU 85 3HB LEU 85 16.370 -12.693 -5.837
658 HG LEU 85 HG LEU 85 18.785 -12.961 -6.210
659 HD11 LEU 85 1HD1 LEU 85 18.977 -10.739 -4.166
660 HD12 LEU 85 2HD1 LEU 85 19.773 -10.865 -5.736
661 HD13 LEU 85 3HD1 LEU 85 20.309 -11.870 -4.401
662 HD21 LEU 85 3HD2 LEU 85 17.692 -14.371 -4.537
663 HD22 LEU 85 1HD2 LEU 85 17.964 -13.145 -3.298
664 HD23 LEU 85 2HD2 LEU 85 19.334 -13.990 -4.020
665 H GLU 86 H GLU 86 15.995 -12.485 -8.142
666 HA GLU 86 HA GLU 86 16.746 -13.709 -10.016
667 HB2 GLU 86 2HB GLU 86 17.469 -10.858 -10.770
668 HB3 GLU 86 3HB GLU 86 17.298 -12.188 -11.911
669 HG2 GLU 86 2HG GLU 86 15.097 -11.252 -10.054
670 HG3 GLU 86 3HG GLU 86 15.239 -10.773 -11.743
671 H HIS 87 H HIS 87 19.026 -12.685 -11.748
672 HA HIS 87 HA HIS 87 21.288 -13.265 -11.986
673 HB2 HIS 87 2HB HIS 87 21.298 -12.138 -9.165
674 HB3 HIS 87 3HB HIS 87 22.743 -12.456 -10.121
675 HD1 HIS 87 HD1 HIS 87 19.864 -10.098 -9.802
676 HD2 HIS 87 HD2 HIS 87 23.101 -10.696 -12.362
677 HE1 HIS 87 HE1 HIS 87 20.025 -8.026 -11.249
678 H HIS 88 H HIS 88 19.317 -15.191 -10.511
679 HA HIS 88 HA HIS 88 20.891 -16.717 -8.655
680 HB2 HIS 88 2HB HIS 88 18.553 -17.516 -10.422
681 HB3 HIS 88 3HB HIS 88 19.231 -18.544 -9.160
682 HD1 HIS 88 HD1 HIS 88 17.059 -15.572 -9.696
683 HD2 HIS 88 HD2 HIS 88 18.810 -17.555 -6.474
684 HE1 HIS 88 HE1 HIS 88 15.918 -14.698 -7.611
685 H HIS 89 H HIS 89 20.402 -16.959 -12.171
686 HA HIS 89 HA HIS 89 22.012 -19.351 -12.471
687 HB2 HIS 89 2HB HIS 89 21.936 -18.820 -14.879
688 HB3 HIS 89 3HB HIS 89 20.336 -18.666 -14.156
689 HD1 HIS 89 HD1 HIS 89 19.670 -16.112 -13.440
690 HD2 HIS 89 HD2 HIS 89 22.804 -16.517 -16.158
691 HE1 HIS 89 HE1 HIS 89 19.975 -13.844 -14.525
692 H HIS 90 H HIS 90 22.730 -15.993 -12.105
693 HA HIS 90 HA HIS 90 25.347 -16.039 -13.370
694 HB2 HIS 90 2HB HIS 90 23.995 -13.961 -12.987
695 HB3 HIS 90 3HB HIS 90 24.284 -14.137 -11.256
696 HD1 HIS 90 HD1 HIS 90 26.600 -13.516 -10.365
697 HD2 HIS 90 HD2 HIS 90 26.343 -13.278 -14.517
698 HE1 HIS 90 HE1 HIS 90 28.703 -12.342 -11.145
699 H HIS 91 H HIS 91 25.125 -18.268 -11.687
700 HA HIS 91 HA HIS 91 26.222 -17.847 -9.071
701 HB2 HIS 91 2HB HIS 91 25.073 -19.937 -9.751
702 HB3 HIS 91 3HB HIS 91 26.409 -20.303 -10.841
703 HD1 HIS 91 HD1 HIS 91 25.871 -19.587 -7.129
704 HD2 HIS 91 HD2 HIS 91 28.436 -21.729 -9.619
705 HE1 HIS 91 HE1 HIS 91 27.424 -20.885 -5.608
706 H HIS 92 H HIS 92 27.733 -18.621 -12.190
707 HA HIS 92 HA HIS 92 30.388 -18.984 -11.328
708 HB2 HIS 92 2HB HIS 92 29.537 -19.294 -13.681
709 HB3 HIS 92 3HB HIS 92 29.550 -17.540 -13.865
710 HD1 HIS 92 HD1 HIS 92 31.912 -16.350 -13.784
711 HD2 HIS 92 HD2 HIS 92 32.070 -20.517 -13.829
712 HE1 HIS 92 HE1 HIS 92 34.305 -16.971 -14.336
Start of MODEL 16
1 H1 MET 1 1H MET 1 -1.297 -11.868 19.065
2 H2 MET 1 2H MET 1 -1.515 -13.550 19.173
3 H3 MET 1 3H MET 1 -2.682 -12.588 18.398
4 HA MET 1 HA MET 1 -0.257 -12.070 17.142
5 HB2 MET 1 2HB MET 1 -0.871 -15.023 17.486
6 HB3 MET 1 3HB MET 1 0.324 -14.356 16.370
7 HG2 MET 1 2HG MET 1 1.487 -13.302 18.318
8 HG3 MET 1 3HG MET 1 0.347 -14.109 19.393
9 HE1 MET 1 3HE MET 1 2.480 -15.306 20.683
10 HE2 MET 1 1HE MET 1 3.326 -14.194 19.599
11 HE3 MET 1 2HE MET 1 3.850 -15.871 19.730
12 HA PRO 2 HA PRO 2 -4.394 -12.248 14.925
13 HB2 PRO 2 2HB PRO 2 -3.400 -9.621 13.870
14 HB3 PRO 2 3HB PRO 2 -4.988 -10.027 14.554
15 HG2 PRO 2 2HG PRO 2 -3.224 -8.560 15.937
16 HG3 PRO 2 3HG PRO 2 -4.268 -9.748 16.744
17 HD2 PRO 2 2HD PRO 2 -1.348 -10.007 16.007
18 HD3 PRO 2 3HD PRO 2 -2.186 -10.541 17.483
19 H HIS 3 H HIS 3 -4.701 -12.820 12.732
20 HA HIS 3 HA HIS 3 -2.579 -12.392 10.745
21 HB2 HIS 3 2HB HIS 3 -1.837 -14.438 12.025
22 HB3 HIS 3 3HB HIS 3 -3.321 -15.237 11.511
23 HD1 HIS 3 HD1 HIS 3 -3.338 -16.246 9.189
24 HD2 HIS 3 HD2 HIS 3 -0.099 -13.685 9.765
25 HE1 HIS 3 HE1 HIS 3 -1.877 -16.461 7.130
26 H LYS 4 H LYS 4 -5.720 -12.557 11.579
27 HA LYS 4 HA LYS 4 -7.736 -12.776 10.404
28 HB2 LYS 4 2HB LYS 4 -5.845 -11.961 8.177
29 HB3 LYS 4 3HB LYS 4 -7.602 -11.994 8.015
30 HG2 LYS 4 2HG LYS 4 -7.798 -10.406 9.904
31 HG3 LYS 4 3HG LYS 4 -6.039 -10.354 10.031
32 HD2 LYS 4 2HD LYS 4 -5.880 -9.477 7.743
33 HD3 LYS 4 3HD LYS 4 -7.634 -9.566 7.577
34 HE2 LYS 4 2HE LYS 4 -6.971 -7.277 8.142
35 HE3 LYS 4 3HE LYS 4 -7.874 -7.987 9.482
36 HZ1 LYS 4 3HZ LYS 4 -5.205 -8.645 9.857
37 HZ2 LYS 4 1HZ LYS 4 -6.144 -7.571 10.773
38 HZ3 LYS 4 2HZ LYS 4 -5.237 -6.993 9.459
39 H GLU 5 H GLU 5 -8.239 -14.960 10.540
40 HA GLU 5 HA GLU 5 -6.930 -17.016 9.027
41 HB2 GLU 5 2HB GLU 5 -8.844 -18.417 9.701
42 HB3 GLU 5 3HB GLU 5 -8.242 -17.478 11.066
43 HG2 GLU 5 2HG GLU 5 -10.027 -15.748 10.534
44 HG3 GLU 5 3HG GLU 5 -10.694 -16.898 9.376
45 H LYS 6 H LYS 6 -9.783 -15.012 8.414
46 HA LYS 6 HA LYS 6 -10.294 -16.384 5.827
47 HB2 LYS 6 2HB LYS 6 -12.208 -14.695 5.731
48 HB3 LYS 6 3HB LYS 6 -12.267 -15.840 7.071
49 HG2 LYS 6 2HG LYS 6 -11.425 -14.203 8.623
50 HG3 LYS 6 3HG LYS 6 -11.054 -13.076 7.322
51 HD2 LYS 6 2HD LYS 6 -13.115 -12.381 8.420
52 HD3 LYS 6 3HD LYS 6 -13.485 -12.932 6.787
53 HE2 LYS 6 2HE LYS 6 -14.411 -14.984 7.580
54 HE3 LYS 6 3HE LYS 6 -13.687 -14.788 9.178
55 HZ1 LYS 6 3HZ LYS 6 -15.096 -12.769 9.420
56 HZ2 LYS 6 1HZ LYS 6 -15.965 -14.225 9.340
57 HZ3 LYS 6 2HZ LYS 6 -15.889 -13.206 7.982
58 H HIS 7 H HIS 7 -9.965 -15.376 3.819
59 HA HIS 7 HA HIS 7 -8.838 -13.988 2.303
60 HB2 HIS 7 2HB HIS 7 -10.722 -12.492 3.226
61 HB3 HIS 7 3HB HIS 7 -9.494 -11.739 4.239
62 HD1 HIS 7 HD1 HIS 7 -7.569 -12.518 1.479
63 HD2 HIS 7 HD2 HIS 7 -10.607 -9.712 2.007
64 HE1 HIS 7 HE1 HIS 7 -7.281 -10.798 -0.356
65 HA PRO 8 HA PRO 8 -4.976 -14.198 4.924
66 HB2 PRO 8 2HB PRO 8 -3.785 -14.447 2.171
67 HB3 PRO 8 3HB PRO 8 -3.457 -15.410 3.627
68 HG2 PRO 8 2HG PRO 8 -4.928 -16.401 1.625
69 HG3 PRO 8 3HG PRO 8 -5.325 -16.759 3.318
70 HD2 PRO 8 2HD PRO 8 -6.690 -14.847 1.430
71 HD3 PRO 8 3HD PRO 8 -7.400 -15.868 2.702
72 H LEU 9 H LEU 9 -3.422 -12.566 5.313
73 HA LEU 9 HA LEU 9 -3.988 -9.928 4.379
74 HB2 LEU 9 2HB LEU 9 -2.836 -10.415 6.520
75 HB3 LEU 9 3HB LEU 9 -1.445 -11.025 5.633
76 HG LEU 9 HG LEU 9 -1.114 -8.783 4.621
77 HD11 LEU 9 1HD1 LEU 9 -3.632 -8.171 6.184
78 HD12 LEU 9 2HD1 LEU 9 -3.201 -7.700 4.541
79 HD13 LEU 9 3HD1 LEU 9 -2.451 -6.890 5.911
80 HD21 LEU 9 3HD2 LEU 9 -1.329 -8.825 7.646
81 HD22 LEU 9 1HD2 LEU 9 -0.374 -7.671 6.717
82 HD23 LEU 9 2HD2 LEU 9 0.047 -9.383 6.695
83 H GLN 10 H GLN 10 -1.518 -12.307 3.425
84 HA GLN 10 HA GLN 10 -0.095 -10.657 1.603
85 HB2 GLN 10 2HB GLN 10 0.633 -12.930 2.390
86 HB3 GLN 10 3HB GLN 10 -0.602 -13.639 1.350
87 HG2 GLN 10 2HG GLN 10 0.445 -12.670 -0.628
88 HG3 GLN 10 3HG GLN 10 1.624 -11.832 0.381
89 HE21 GLN 10 1HE2 GLN 10 2.483 -13.686 -1.617
90 HE22 GLN 10 2HE2 GLN 10 3.159 -15.034 -0.837
91 H ASP 11 H ASP 11 -3.013 -12.642 1.168
92 HA ASP 11 HA ASP 11 -3.218 -12.280 -1.669
93 HB2 ASP 11 2HB ASP 11 -5.157 -13.000 0.536
94 HB3 ASP 11 3HB ASP 11 -5.785 -12.676 -1.079
95 H MET 12 H MET 12 -4.352 -10.329 1.082
96 HA MET 12 HA MET 12 -5.976 -8.503 -0.384
97 HB2 MET 12 2HB MET 12 -4.332 -8.128 2.137
98 HB3 MET 12 3HB MET 12 -5.503 -6.954 1.549
99 HG2 MET 12 2HG MET 12 -7.312 -8.546 1.766
100 HG3 MET 12 3HG MET 12 -6.186 -9.847 2.143
101 HE1 MET 12 3HE MET 12 -7.441 -6.280 4.683
102 HE2 MET 12 1HE MET 12 -7.498 -6.474 2.929
103 HE3 MET 12 2HE MET 12 -5.989 -6.025 3.719
104 H PHE 13 H PHE 13 -2.510 -8.303 0.506
105 HA PHE 13 HA PHE 13 -2.081 -5.820 -0.906
106 HB2 PHE 13 2HB PHE 13 -0.199 -7.978 0.095
107 HB3 PHE 13 3HB PHE 13 0.387 -6.546 -0.745
108 HD1 PHE 13 HD2 PHE 13 -0.570 -4.250 0.116
109 HD2 PHE 13 HD1 PHE 13 -0.420 -7.844 2.470
110 HE1 PHE 13 HE2 PHE 13 -0.679 -2.899 2.191
111 HE2 PHE 13 HE1 PHE 13 -0.525 -6.483 4.540
112 HZ PHE 13 HZ PHE 13 -0.654 -4.018 4.400
113 H THR 14 H THR 14 -1.592 -9.244 -1.801
114 HA THR 14 HA THR 14 -0.351 -8.745 -4.316
115 HB THR 14 HB THR 14 -2.190 -11.069 -3.648
116 HG1 THR 14 HG1 THR 14 -0.368 -10.414 -2.136
117 HG21 THR 14 3HG2 THR 14 0.260 -10.848 -5.424
118 HG22 THR 14 1HG2 THR 14 -1.410 -10.911 -5.992
119 HG23 THR 14 2HG2 THR 14 -0.706 -12.301 -5.167
120 H SER 15 H SER 15 -3.789 -9.360 -3.538
121 HA SER 15 HA SER 15 -4.706 -8.981 -6.230
122 HB2 SER 15 2HB SER 15 -6.180 -10.143 -4.761
123 HB3 SER 15 3HB SER 15 -6.076 -8.880 -3.538
124 HG SER 15 HG SER 15 -6.904 -7.688 -5.701
125 H ALA 16 H ALA 16 -4.465 -6.738 -3.445
126 HA ALA 16 HA ALA 16 -5.719 -4.536 -4.792
127 HB1 ALA 16 3HB ALA 16 -3.717 -4.446 -2.522
128 HB2 ALA 16 1HB ALA 16 -5.444 -4.740 -2.316
129 HB3 ALA 16 2HB ALA 16 -4.882 -3.192 -2.951
130 H ILE 17 H ILE 17 -2.243 -5.284 -4.263
131 HA ILE 17 HA ILE 17 -1.263 -2.959 -5.600
132 HB ILE 17 HB ILE 17 -0.033 -5.710 -5.204
133 HG12 ILE 17 2HG1 ILE 17 0.541 -3.104 -3.737
134 HG13 ILE 17 3HG1 ILE 17 -0.667 -4.258 -3.171
135 HG21 ILE 17 1HG2 ILE 17 1.197 -3.107 -6.177
136 HG22 ILE 17 2HG2 ILE 17 1.182 -4.656 -7.018
137 HG23 ILE 17 3HG2 ILE 17 2.156 -4.454 -5.562
138 HD11 ILE 17 3HD1 ILE 17 2.262 -4.891 -3.640
139 HD12 ILE 17 1HD1 ILE 17 1.045 -6.015 -3.036
140 HD13 ILE 17 2HD1 ILE 17 1.518 -4.621 -2.064
141 H GLU 18 H GLU 18 -1.918 -6.249 -6.819
142 HA GLU 18 HA GLU 18 -1.066 -5.688 -9.511
143 HB2 GLU 18 2HB GLU 18 -2.797 -7.832 -8.254
144 HB3 GLU 18 3HB GLU 18 -2.630 -7.745 -10.005
145 HG2 GLU 18 2HG GLU 18 -0.976 -9.300 -9.098
146 HG3 GLU 18 3HG GLU 18 -0.158 -7.889 -9.763
147 H ALA 19 H ALA 19 -4.100 -5.160 -7.800
148 HA ALA 19 HA ALA 19 -5.771 -4.757 -10.093
149 HB1 ALA 19 3HB ALA 19 -5.984 -3.483 -7.349
150 HB2 ALA 19 1HB ALA 19 -6.666 -5.044 -7.806
151 HB3 ALA 19 2HB ALA 19 -7.270 -3.565 -8.554
152 H VAL 20 H VAL 20 -3.947 -2.382 -8.108
153 HA VAL 20 HA VAL 20 -4.408 -0.313 -10.243
154 HB VAL 20 HB VAL 20 -3.613 1.293 -8.466
155 HG11 VAL 20 1HG1 VAL 20 -6.000 0.964 -8.862
156 HG12 VAL 20 2HG1 VAL 20 -5.713 1.141 -7.132
157 HG13 VAL 20 3HG1 VAL 20 -6.005 -0.457 -7.817
158 HG21 VAL 20 3HG2 VAL 20 -3.953 -1.073 -6.598
159 HG22 VAL 20 1HG2 VAL 20 -3.412 0.549 -6.184
160 HG23 VAL 20 2HG2 VAL 20 -2.379 -0.503 -7.147
161 H ALA 21 H ALA 21 -2.281 -2.604 -10.016
162 HA ALA 21 HA ALA 21 0.273 -1.408 -9.655
163 HB1 ALA 21 3HB ALA 21 0.875 -3.355 -11.410
164 HB2 ALA 21 1HB ALA 21 -0.788 -3.832 -11.081
165 HB3 ALA 21 2HB ALA 21 0.382 -3.748 -9.768
166 H ARG 22 H ARG 22 -1.832 -1.610 -12.510
167 HA ARG 22 HA ARG 22 -1.660 -0.549 -14.597
168 HB2 ARG 22 2HB ARG 22 -0.330 1.470 -12.769
169 HB3 ARG 22 3HB ARG 22 -0.750 1.802 -14.447
170 HG2 ARG 22 2HG ARG 22 -3.093 1.342 -13.992
171 HG3 ARG 22 3HG ARG 22 -2.725 0.911 -12.327
172 HD2 ARG 22 2HD ARG 22 -1.785 3.588 -13.228
173 HD3 ARG 22 3HD ARG 22 -3.513 3.412 -13.073
174 HE ARG 22 HE ARG 22 -2.887 2.539 -10.629
175 HH11 ARG 22 1HH2 ARG 22 -0.875 4.679 -12.333
176 HH12 ARG 22 2HH2 ARG 22 -0.939 5.968 -11.191
177 HH21 ARG 22 1HH1 ARG 22 -3.092 4.277 -9.013
178 HH22 ARG 22 2HH1 ARG 22 -2.224 5.752 -9.296
179 H ASP 23 H ASP 23 -0.013 -2.355 -15.101
180 HA ASP 23 HA ASP 23 2.042 -2.988 -16.043
181 HB2 ASP 23 2HB ASP 23 1.904 -0.044 -16.771
182 HB3 ASP 23 3HB ASP 23 3.102 -1.151 -17.430
183 H SER 24 H SER 24 2.158 -2.294 -13.216
184 HA SER 24 HA SER 24 5.047 -1.918 -12.983
185 HB2 SER 24 2HB SER 24 3.228 0.192 -11.774
186 HB3 SER 24 3HB SER 24 4.970 0.080 -11.560
187 HG SER 24 HG SER 24 4.145 1.547 -13.250
188 H GLY 25 H GLY 25 5.582 -3.354 -11.411
189 HA2 GLY 25 2HA GLY 25 3.622 -4.591 -9.736
190 HA3 GLY 25 3HA GLY 25 5.367 -4.736 -9.527
191 H TRP 26 H TRP 26 4.727 -1.498 -9.563
192 HA TRP 26 HA TRP 26 4.757 -1.335 -6.574
193 HB2 TRP 26 2HB TRP 26 5.409 0.681 -8.752
194 HB3 TRP 26 3HB TRP 26 5.439 1.040 -7.026
195 HD1 TRP 26 HD1 TRP 26 7.542 -0.365 -9.753
196 HE1 TRP 26 HE1 TRP 26 9.729 -1.326 -8.775
197 HE3 TRP 26 HE3 TRP 26 6.372 -0.325 -4.789
198 HZ2 TRP 26 HZ2 TRP 26 10.831 -1.989 -6.214
199 HZ3 TRP 26 HZ3 TRP 26 7.998 -1.127 -3.103
200 HH2 TRP 26 HH2 TRP 26 10.226 -1.954 -3.808
201 H ALA 27 H ALA 27 3.191 -0.109 -5.486
202 HA ALA 27 HA ALA 27 1.005 1.178 -7.060
203 HB1 ALA 27 3HB ALA 27 0.647 -1.058 -5.038
204 HB2 ALA 27 1HB ALA 27 0.119 -1.038 -6.720
205 HB3 ALA 27 2HB ALA 27 -0.668 0.007 -5.539
206 H GLU 28 H GLU 28 0.068 2.902 -5.929
207 HA GLU 28 HA GLU 28 1.609 4.033 -3.769
208 HB2 GLU 28 2HB GLU 28 -1.130 4.770 -4.854
209 HB3 GLU 28 3HB GLU 28 -0.219 5.738 -3.696
210 HG2 GLU 28 2HG GLU 28 0.220 6.668 -5.870
211 HG3 GLU 28 3HG GLU 28 1.679 5.806 -5.385
212 H LEU 29 H LEU 29 1.338 3.775 -1.567
213 HA LEU 29 HA LEU 29 -0.208 1.707 -0.465
214 HB2 LEU 29 2HB LEU 29 1.663 2.817 0.714
215 HB3 LEU 29 3HB LEU 29 0.703 4.282 0.863
216 HG LEU 29 HG LEU 29 -0.934 3.075 2.273
217 HD11 LEU 29 1HD1 LEU 29 -0.899 0.813 1.606
218 HD12 LEU 29 2HD1 LEU 29 -0.043 0.755 3.134
219 HD13 LEU 29 3HD1 LEU 29 0.863 0.725 1.628
220 HD21 LEU 29 3HD2 LEU 29 0.991 4.226 3.296
221 HD22 LEU 29 1HD2 LEU 29 1.953 2.756 3.151
222 HD23 LEU 29 2HD2 LEU 29 0.557 2.793 4.227
223 H SER 30 H SER 30 -1.018 5.150 -0.847
224 HA SER 30 HA SER 30 -3.479 5.122 0.573
225 HB2 SER 30 2HB SER 30 -4.082 7.081 -0.825
226 HB3 SER 30 3HB SER 30 -2.431 7.209 -0.223
227 HG SER 30 HG SER 30 -3.327 7.113 -2.756
228 H ALA 31 H ALA 31 -2.763 4.388 -2.850
229 HA ALA 31 HA ALA 31 -5.472 3.884 -3.621
230 HB1 ALA 31 3HB ALA 31 -4.462 2.630 -5.523
231 HB2 ALA 31 1HB ALA 31 -2.887 2.748 -4.737
232 HB3 ALA 31 2HB ALA 31 -3.708 4.207 -5.290
233 H VAL 32 H VAL 32 -2.969 1.780 -2.218
234 HA VAL 32 HA VAL 32 -4.355 -0.691 -2.543
235 HB VAL 32 HB VAL 32 -2.406 0.216 -0.396
236 HG11 VAL 32 1HG1 VAL 32 -1.991 -2.289 -0.175
237 HG12 VAL 32 2HG1 VAL 32 -3.465 -2.535 -1.111
238 HG13 VAL 32 3HG1 VAL 32 -3.539 -1.733 0.456
239 HG21 VAL 32 3HG2 VAL 32 -1.622 0.278 -2.785
240 HG22 VAL 32 1HG2 VAL 32 -1.974 -1.445 -2.898
241 HG23 VAL 32 2HG2 VAL 32 -0.732 -0.869 -1.788
242 H GLY 33 H GLY 33 -4.283 1.564 0.232
243 HA2 GLY 33 2HA GLY 33 -6.123 0.113 1.847
244 HA3 GLY 33 3HA GLY 33 -5.801 1.839 1.999
245 H SER 34 H SER 34 -6.684 2.740 -0.520
246 HA SER 34 HA SER 34 -9.498 2.938 -0.081
247 HB2 SER 34 2HB SER 34 -8.212 4.619 -1.359
248 HB3 SER 34 3HB SER 34 -7.942 3.438 -2.636
249 HG SER 34 HG SER 34 -10.190 3.345 -2.934
250 H TYR 35 H TYR 35 -7.631 0.979 -2.411
251 HA TYR 35 HA TYR 35 -9.863 -0.199 -3.731
252 HB2 TYR 35 2HB TYR 35 -7.566 -0.361 -4.596
253 HB3 TYR 35 3HB TYR 35 -7.103 -1.351 -3.214
254 HD1 TYR 35 HD2 TYR 35 -9.232 -1.213 -6.252
255 HD2 TYR 35 HD1 TYR 35 -7.651 -3.712 -3.134
256 HE1 TYR 35 HE2 TYR 35 -10.010 -3.225 -7.468
257 HE2 TYR 35 HE1 TYR 35 -8.433 -5.725 -4.354
258 HH TYR 35 HH TYR 35 -10.652 -5.635 -6.807
259 H LEU 36 H LEU 36 -7.952 -1.376 -0.960
260 HA LEU 36 HA LEU 36 -9.522 -3.737 -0.537
261 HB2 LEU 36 2HB LEU 36 -7.831 -2.109 1.382
262 HB3 LEU 36 3HB LEU 36 -8.492 -3.701 1.746
263 HG LEU 36 HG LEU 36 -6.678 -3.161 -0.633
264 HD11 LEU 36 1HD1 LEU 36 -5.497 -2.679 1.489
265 HD12 LEU 36 2HD1 LEU 36 -4.861 -4.129 0.714
266 HD13 LEU 36 3HD1 LEU 36 -5.948 -4.272 2.093
267 HD21 LEU 36 3HD2 LEU 36 -6.319 -5.727 -0.308
268 HD22 LEU 36 1HD2 LEU 36 -7.832 -5.209 -1.030
269 HD23 LEU 36 2HD2 LEU 36 -7.785 -5.674 0.669
270 H ALA 37 H ALA 37 -9.764 -0.425 0.723
271 HA ALA 37 HA ALA 37 -11.792 -0.865 2.655
272 HB1 ALA 37 3HB ALA 37 -10.567 1.301 2.319
273 HB2 ALA 37 1HB ALA 37 -12.316 1.506 2.421
274 HB3 ALA 37 2HB ALA 37 -11.512 1.563 0.853
275 H LYS 38 H LYS 38 -12.076 -0.187 -0.843
276 HA LYS 38 HA LYS 38 -14.940 -0.194 -0.898
277 HB2 LYS 38 2HB LYS 38 -12.897 -0.859 -3.043
278 HB3 LYS 38 3HB LYS 38 -14.624 -0.673 -3.349
279 HG2 LYS 38 2HG LYS 38 -14.559 1.626 -2.529
280 HG3 LYS 38 3HG LYS 38 -12.851 1.455 -2.120
281 HD2 LYS 38 2HD LYS 38 -12.350 1.003 -4.512
282 HD3 LYS 38 3HD LYS 38 -14.051 1.273 -4.897
283 HE2 LYS 38 2HE LYS 38 -12.210 3.300 -3.597
284 HE3 LYS 38 3HE LYS 38 -12.709 3.315 -5.289
285 HZ1 LYS 38 3HZ LYS 38 -14.266 4.684 -4.386
286 HZ2 LYS 38 1HZ LYS 38 -14.269 3.900 -2.883
287 HZ3 LYS 38 2HZ LYS 38 -15.072 3.198 -4.206
288 H ASN 39 H ASN 39 -12.546 -2.797 -1.438
289 HA ASN 39 HA ASN 39 -14.461 -4.825 -2.071
290 HB2 ASN 39 2HB ASN 39 -11.679 -5.005 -0.877
291 HB3 ASN 39 3HB ASN 39 -12.605 -6.410 -1.408
292 HD21 ASN 39 1HD2 ASN 39 -10.455 -3.954 -2.465
293 HD22 ASN 39 2HD2 ASN 39 -10.615 -4.211 -4.135
294 H ASP 40 H ASP 40 -13.047 -3.809 1.037
295 HA ASP 40 HA ASP 40 -14.633 -5.833 2.514
296 HB2 ASP 40 2HB ASP 40 -12.484 -3.830 3.223
297 HB3 ASP 40 3HB ASP 40 -13.398 -4.634 4.498
298 HA PRO 41 HA PRO 41 -18.090 -3.156 3.531
299 HB2 PRO 41 2HB PRO 41 -17.532 -3.605 6.453
300 HB3 PRO 41 3HB PRO 41 -19.039 -3.849 5.546
301 HG2 PRO 41 2HG PRO 41 -17.410 -5.894 6.349
302 HG3 PRO 41 3HG PRO 41 -18.475 -5.987 4.937
303 HD2 PRO 41 2HD PRO 41 -15.511 -5.807 5.002
304 HD3 PRO 41 3HD PRO 41 -16.579 -6.301 3.673
305 H SER 42 H SER 42 -15.253 -2.774 5.684
306 HA SER 42 HA SER 42 -14.956 0.028 5.040
307 HB2 SER 42 2HB SER 42 -16.156 -0.736 7.721
308 HB3 SER 42 3HB SER 42 -15.376 0.816 7.426
309 HG SER 42 HG SER 42 -16.948 1.349 6.028
310 H PHE 43 H PHE 43 -12.875 -1.147 4.639
311 HA PHE 43 HA PHE 43 -11.379 -2.398 6.712
312 HB2 PHE 43 2HB PHE 43 -10.832 -2.435 4.230
313 HB3 PHE 43 3HB PHE 43 -10.171 -0.812 4.421
314 HD1 PHE 43 HD2 PHE 43 -9.974 -4.234 5.951
315 HD2 PHE 43 HD1 PHE 43 -7.870 -0.595 5.044
316 HE1 PHE 43 HE2 PHE 43 -7.867 -5.237 6.789
317 HE2 PHE 43 HE1 PHE 43 -5.768 -1.606 5.879
318 HZ PHE 43 HZ PHE 43 -5.766 -3.926 6.749
319 H ASP 44 H ASP 44 -9.053 -1.247 7.184
320 HA ASP 44 HA ASP 44 -9.464 1.564 8.073
321 HB2 ASP 44 2HB ASP 44 -8.809 -0.803 9.857
322 HB3 ASP 44 3HB ASP 44 -8.578 0.873 10.344
323 HA PRO 45 HA PRO 45 -5.182 0.627 6.587
324 HB2 PRO 45 2HB PRO 45 -4.860 2.759 4.886
325 HB3 PRO 45 3HB PRO 45 -5.685 1.261 4.406
326 HG2 PRO 45 2HG PRO 45 -6.848 3.913 5.077
327 HG3 PRO 45 3HG PRO 45 -7.460 2.659 3.987
328 HD2 PRO 45 2HD PRO 45 -8.359 3.143 6.655
329 HD3 PRO 45 3HD PRO 45 -8.758 1.726 5.664
330 H ARG 46 H ARG 46 -5.236 4.134 6.309
331 HA ARG 46 HA ARG 46 -3.139 4.413 8.251
332 HB2 ARG 46 2HB ARG 46 -3.565 6.861 7.993
333 HB3 ARG 46 3HB ARG 46 -3.386 6.022 6.450
334 HG2 ARG 46 2HG ARG 46 -5.914 5.837 6.347
335 HG3 ARG 46 3HG ARG 46 -5.989 6.850 7.784
336 HD2 ARG 46 2HD ARG 46 -4.420 7.842 5.433
337 HD3 ARG 46 3HD ARG 46 -6.171 7.917 5.353
338 HE ARG 46 HE ARG 46 -5.733 9.063 7.788
339 HH11 ARG 46 1HH2 ARG 46 -4.024 9.382 4.831
340 HH12 ARG 46 2HH2 ARG 46 -3.922 11.103 4.890
341 HH21 ARG 46 1HH1 ARG 46 -5.644 11.367 7.900
342 HH22 ARG 46 2HH1 ARG 46 -4.850 12.233 6.628
343 H ASN 47 H ASN 47 -6.607 4.348 8.520
344 HA ASN 47 HA ASN 47 -7.095 5.841 10.840
345 HB2 ASN 47 2HB ASN 47 -8.259 3.203 9.898
346 HB3 ASN 47 3HB ASN 47 -8.880 4.042 11.319
347 HD21 ASN 47 1HD2 ASN 47 -10.546 3.651 9.044
348 HD22 ASN 47 2HD2 ASN 47 -10.837 5.156 8.315
349 H TRP 48 H TRP 48 -4.970 3.207 10.534
350 HA TRP 48 HA TRP 48 -5.243 2.152 13.245
351 HB2 TRP 48 2HB TRP 48 -3.202 1.826 11.025
352 HB3 TRP 48 3HB TRP 48 -2.918 1.145 12.620
353 HD1 TRP 48 HD1 TRP 48 -6.254 1.223 10.690
354 HE1 TRP 48 HE1 TRP 48 -7.075 -1.208 10.408
355 HE3 TRP 48 HE3 TRP 48 -2.297 -1.269 12.726
356 HZ2 TRP 48 HZ2 TRP 48 -6.165 -3.864 10.992
357 HZ3 TRP 48 HZ3 TRP 48 -2.297 -3.743 12.857
358 HH2 TRP 48 HH2 TRP 48 -4.224 -5.043 11.993
359 H GLY 49 H GLY 49 -3.474 4.774 11.713
360 HA2 GLY 49 2HA GLY 49 -2.905 6.179 14.050
361 HA3 GLY 49 3HA GLY 49 -1.518 5.111 13.822
362 H HIS 50 H HIS 50 -0.453 7.322 13.580
363 HA HIS 50 HA HIS 50 -0.956 8.863 11.171
364 HB2 HIS 50 2HB HIS 50 0.058 9.829 13.228
365 HB3 HIS 50 3HB HIS 50 1.476 8.809 12.985
366 HD1 HIS 50 HD1 HIS 50 -0.512 11.383 10.975
367 HD2 HIS 50 HD2 HIS 50 3.408 10.055 11.471
368 HE1 HIS 50 HE1 HIS 50 0.938 12.878 9.533
369 H GLY 51 H GLY 51 -0.844 6.920 9.663
370 HA2 GLY 51 2HA GLY 51 0.350 5.968 7.862
371 HA3 GLY 51 3HA GLY 51 1.801 6.794 8.428
372 H ARG 52 H ARG 52 0.127 4.929 10.784
373 HA ARG 52 HA ARG 52 2.363 3.225 11.317
374 HB2 ARG 52 2HB ARG 52 0.555 3.785 12.944
375 HB3 ARG 52 3HB ARG 52 -0.562 2.797 12.015
376 HG2 ARG 52 2HG ARG 52 0.860 0.804 12.455
377 HG3 ARG 52 3HG ARG 52 1.937 1.799 13.438
378 HD2 ARG 52 2HD ARG 52 -0.018 2.449 14.859
379 HD3 ARG 52 3HD ARG 52 -1.025 1.349 13.948
380 HE ARG 52 HE ARG 52 0.640 0.658 16.167
381 HH11 ARG 52 1HH2 ARG 52 0.120 -0.629 13.001
382 HH12 ARG 52 2HH2 ARG 52 -0.211 -2.224 13.568
383 HH21 ARG 52 1HH1 ARG 52 0.096 -1.425 16.912
384 HH22 ARG 52 2HH1 ARG 52 -0.241 -2.672 15.757
385 H LEU 53 H LEU 53 -0.157 3.037 8.949
386 HA LEU 53 HA LEU 53 -0.236 0.207 8.546
387 HB2 LEU 53 2HB LEU 53 -1.869 1.755 7.516
388 HB3 LEU 53 3HB LEU 53 -0.587 2.472 6.545
389 HG LEU 53 HG LEU 53 -0.230 0.293 5.420
390 HD11 LEU 53 1HD1 LEU 53 -0.857 -1.393 6.936
391 HD12 LEU 53 2HD1 LEU 53 -2.187 -1.411 5.789
392 HD13 LEU 53 3HD1 LEU 53 -2.381 -0.603 7.343
393 HD21 LEU 53 3HD2 LEU 53 -1.826 1.979 4.524
394 HD22 LEU 53 1HD2 LEU 53 -3.125 1.190 5.418
395 HD23 LEU 53 2HD2 LEU 53 -2.305 0.330 4.114
396 H SER 54 H SER 54 1.813 2.774 7.168
397 HA SER 54 HA SER 54 3.333 1.088 5.432
398 HB2 SER 54 2HB SER 54 5.006 2.918 5.469
399 HB3 SER 54 3HB SER 54 3.375 3.542 5.241
400 HG SER 54 HG SER 54 3.385 4.333 7.242
401 H GLN 55 H GLN 55 3.664 1.892 8.866
402 HA GLN 55 HA GLN 55 6.252 0.561 9.141
403 HB2 GLN 55 2HB GLN 55 4.212 1.413 11.224
404 HB3 GLN 55 3HB GLN 55 5.862 0.893 11.568
405 HG2 GLN 55 2HG GLN 55 5.177 3.241 9.772
406 HG3 GLN 55 3HG GLN 55 5.572 3.399 11.482
407 HE21 GLN 55 1HE2 GLN 55 7.668 1.498 11.707
408 HE22 GLN 55 2HE2 GLN 55 8.980 2.007 10.757
409 H MET 56 H MET 56 2.870 -0.354 9.430
410 HA MET 56 HA MET 56 3.227 -2.768 10.918
411 HB2 MET 56 2HB MET 56 1.013 -1.712 10.489
412 HB3 MET 56 3HB MET 56 1.148 -2.162 8.790
413 HG2 MET 56 2HG MET 56 1.187 -4.534 9.378
414 HG3 MET 56 3HG MET 56 1.208 -4.134 11.094
415 HE1 MET 56 3HE MET 56 -1.200 -5.159 8.200
416 HE2 MET 56 1HE MET 56 -0.468 -3.604 7.789
417 HE3 MET 56 2HE MET 56 -2.201 -3.714 8.082
418 H VAL 57 H VAL 57 3.183 -2.172 7.387
419 HA VAL 57 HA VAL 57 3.656 -4.911 6.669
420 HB VAL 57 HB VAL 57 4.419 -3.909 4.463
421 HG11 VAL 57 1HG1 VAL 57 2.181 -2.961 3.922
422 HG12 VAL 57 2HG1 VAL 57 1.805 -2.918 5.644
423 HG13 VAL 57 3HG1 VAL 57 2.063 -4.463 4.837
424 HG21 VAL 57 3HG2 VAL 57 3.667 -1.300 5.822
425 HG22 VAL 57 1HG2 VAL 57 4.230 -1.505 4.163
426 HG23 VAL 57 2HG2 VAL 57 5.327 -1.804 5.508
427 H LYS 58 H LYS 58 5.789 -2.287 7.622
428 HA LYS 58 HA LYS 58 8.254 -3.354 6.680
429 HB2 LYS 58 2HB LYS 58 7.914 -1.046 7.597
430 HB3 LYS 58 3HB LYS 58 7.786 -1.749 9.209
431 HG2 LYS 58 2HG LYS 58 10.057 -2.660 9.019
432 HG3 LYS 58 3HG LYS 58 10.186 -2.023 7.377
433 HD2 LYS 58 2HD LYS 58 9.874 0.270 8.252
434 HD3 LYS 58 3HD LYS 58 9.773 -0.379 9.889
435 HE2 LYS 58 2HE LYS 58 12.042 0.429 9.470
436 HE3 LYS 58 3HE LYS 58 12.060 -1.329 9.622
437 HZ1 LYS 58 3HZ LYS 58 13.059 0.107 7.538
438 HZ2 LYS 58 1HZ LYS 58 11.573 -0.454 6.942
439 HZ3 LYS 58 2HZ LYS 58 12.723 -1.559 7.527
440 H LYS 59 H LYS 59 6.384 -4.016 9.609
441 HA LYS 59 HA LYS 59 8.386 -5.563 10.956
442 HB2 LYS 59 2HB LYS 59 6.204 -4.644 11.939
443 HB3 LYS 59 3HB LYS 59 5.377 -5.964 11.118
444 HG2 LYS 59 2HG LYS 59 5.740 -6.920 13.234
445 HG3 LYS 59 3HG LYS 59 7.164 -7.489 12.372
446 HD2 LYS 59 2HD LYS 59 8.442 -5.534 13.299
447 HD3 LYS 59 3HD LYS 59 7.014 -5.094 14.233
448 HE2 LYS 59 2HE LYS 59 8.466 -7.749 14.416
449 HE3 LYS 59 3HE LYS 59 8.625 -6.425 15.570
450 HZ1 LYS 59 3HZ LYS 59 5.894 -7.097 15.080
451 HZ2 LYS 59 1HZ LYS 59 6.733 -6.996 16.552
452 HZ3 LYS 59 2HZ LYS 59 6.776 -8.435 15.649
453 H LEU 60 H LEU 60 5.960 -6.336 8.517
454 HA LEU 60 HA LEU 60 6.393 -9.219 8.616
455 HB2 LEU 60 2HB LEU 60 5.172 -7.564 6.383
456 HB3 LEU 60 3HB LEU 60 4.946 -9.288 6.671
457 HG LEU 60 HG LEU 60 4.074 -7.070 8.559
458 HD11 LEU 60 1HD1 LEU 60 2.526 -8.849 6.654
459 HD12 LEU 60 2HD1 LEU 60 2.656 -7.090 6.602
460 HD13 LEU 60 3HD1 LEU 60 1.772 -7.869 7.911
461 HD21 LEU 60 3HD2 LEU 60 4.479 -8.945 9.948
462 HD22 LEU 60 1HD2 LEU 60 3.968 -10.098 8.712
463 HD23 LEU 60 2HD2 LEU 60 2.773 -9.118 9.562
464 H ASP 61 H ASP 61 7.785 -10.439 7.366
465 HA ASP 61 HA ASP 61 9.978 -9.009 6.004
466 HB2 ASP 61 2HB ASP 61 9.582 -11.991 6.394
467 HB3 ASP 61 3HB ASP 61 11.081 -11.167 5.963
468 H PHE 62 H PHE 62 7.272 -11.128 5.095
469 HA PHE 62 HA PHE 62 8.241 -11.525 2.377
470 HB2 PHE 62 2HB PHE 62 6.139 -12.628 1.968
471 HB3 PHE 62 3HB PHE 62 6.715 -13.114 3.558
472 HD1 PHE 62 HD2 PHE 62 5.671 -12.185 5.624
473 HD2 PHE 62 HD1 PHE 62 4.121 -11.296 1.715
474 HE1 PHE 62 HE2 PHE 62 3.548 -11.398 6.637
475 HE2 PHE 62 HE1 PHE 62 2.007 -10.509 2.732
476 HZ PHE 62 HZ PHE 62 1.715 -10.563 5.189
477 H LEU 63 H LEU 63 7.659 -8.708 3.544
478 HA LEU 63 HA LEU 63 6.246 -7.694 1.097
479 HB2 LEU 63 2HB LEU 63 5.671 -7.073 3.998
480 HB3 LEU 63 3HB LEU 63 5.326 -5.867 2.763
481 HG LEU 63 HG LEU 63 4.279 -8.695 2.400
482 HD11 LEU 63 1HD1 LEU 63 2.185 -8.003 3.556
483 HD12 LEU 63 2HD1 LEU 63 2.995 -6.527 4.081
484 HD13 LEU 63 3HD1 LEU 63 3.567 -8.095 4.647
485 HD21 LEU 63 3HD2 LEU 63 2.439 -7.450 1.243
486 HD22 LEU 63 1HD2 LEU 63 4.014 -7.128 0.524
487 HD23 LEU 63 2HD2 LEU 63 3.271 -5.939 1.591
488 H THR 64 H THR 64 7.431 -6.193 0.087
489 HA THR 64 HA THR 64 9.871 -5.085 1.382
490 HB THR 64 HB THR 64 8.844 -4.844 -1.471
491 HG1 THR 64 HG1 THR 64 9.473 -6.844 -1.473
492 HG21 THR 64 3HG2 THR 64 10.370 -3.040 -1.015
493 HG22 THR 64 1HG2 THR 64 11.266 -4.261 -1.915
494 HG23 THR 64 2HG2 THR 64 11.482 -4.116 -0.170
495 H VAL 65 H VAL 65 10.002 -2.934 1.983
496 HA VAL 65 HA VAL 65 7.601 -1.186 1.495
497 HB VAL 65 HB VAL 65 9.725 -1.089 3.664
498 HG11 VAL 65 1HG1 VAL 65 8.968 1.161 3.225
499 HG12 VAL 65 2HG1 VAL 65 8.126 0.611 4.672
500 HG13 VAL 65 3HG1 VAL 65 7.288 0.635 3.121
501 HG21 VAL 65 3HG2 VAL 65 6.824 -1.979 3.643
502 HG22 VAL 65 1HG2 VAL 65 7.721 -1.644 5.123
503 HG23 VAL 65 2HG2 VAL 65 8.239 -2.947 4.055
504 H GLN 66 H GLN 66 7.907 0.608 0.293
505 HA GLN 66 HA GLN 66 10.549 1.907 0.131
506 HB2 GLN 66 2HB GLN 66 10.656 0.143 -1.624
507 HB3 GLN 66 3HB GLN 66 9.196 0.807 -2.359
508 HG2 GLN 66 2HG GLN 66 10.306 2.901 -2.839
509 HG3 GLN 66 3HG GLN 66 11.731 2.413 -1.920
510 HE21 GLN 66 1HE2 GLN 66 10.176 2.209 -5.033
511 HE22 GLN 66 2HE2 GLN 66 11.337 1.217 -5.775
512 H GLU 67 H GLU 67 10.345 4.042 -0.873
513 HA GLU 67 HA GLU 67 7.578 4.997 -1.408
514 HB2 GLU 67 2HB GLU 67 7.905 6.909 0.177
515 HB3 GLU 67 3HB GLU 67 7.788 5.352 0.990
516 HG2 GLU 67 2HG GLU 67 10.445 6.641 0.296
517 HG3 GLU 67 3HG GLU 67 9.626 6.879 1.836
518 H SER 68 H SER 68 7.576 7.063 -2.505
519 HA SER 68 HA SER 68 10.238 7.925 -3.614
520 HB2 SER 68 2HB SER 68 7.681 7.495 -5.191
521 HB3 SER 68 3HB SER 68 9.151 8.232 -5.820
522 HG SER 68 HG SER 68 10.053 6.329 -5.933
523 H ARG 69 H ARG 69 10.384 10.105 -4.069
524 HA ARG 69 HA ARG 69 8.612 11.829 -2.532
525 HB2 ARG 69 2HB ARG 69 10.920 12.464 -4.415
526 HB3 ARG 69 3HB ARG 69 10.107 13.635 -3.373
527 HG2 ARG 69 2HG ARG 69 10.654 12.102 -1.413
528 HG3 ARG 69 3HG ARG 69 11.653 11.207 -2.490
529 HD2 ARG 69 2HD ARG 69 12.075 14.184 -2.243
530 HD3 ARG 69 3HD ARG 69 12.668 13.145 -0.972
531 HE ARG 69 HE ARG 69 14.276 13.739 -2.985
532 HH11 ARG 69 1HH2 ARG 69 12.600 10.893 -3.661
533 HH12 ARG 69 2HH2 ARG 69 13.931 9.827 -3.398
534 HH21 ARG 69 1HH1 ARG 69 16.127 12.398 -2.569
535 HH22 ARG 69 2HH1 ARG 69 15.950 10.684 -2.759
536 H ASN 70 H ASN 70 7.071 13.234 -3.301
537 HA ASN 70 HA ASN 70 6.708 13.590 -6.218
538 HB2 ASN 70 2HB ASN 70 4.631 12.260 -4.444
539 HB3 ASN 70 3HB ASN 70 4.319 12.854 -6.076
540 HD21 ASN 70 1HD2 ASN 70 4.806 10.011 -4.598
541 HD22 ASN 70 2HD2 ASN 70 5.711 9.185 -5.772
542 H GLY 71 H GLY 71 6.871 15.796 -6.054
543 HA2 GLY 71 2HA GLY 71 6.129 17.982 -5.646
544 HA3 GLY 71 3HA GLY 71 4.584 17.273 -5.180
545 H SER 72 H SER 72 4.170 18.377 -3.289
546 HA SER 72 HA SER 72 6.278 18.693 -1.230
547 HB2 SER 72 2HB SER 72 4.645 20.048 -0.066
548 HB3 SER 72 3HB SER 72 4.634 20.515 -1.765
549 HG SER 72 HG SER 72 2.922 18.470 -0.915
550 H LYS 73 H LYS 73 4.401 16.172 -2.109
551 HA LYS 73 HA LYS 73 4.284 15.089 0.684
552 HB2 LYS 73 2HB LYS 73 2.017 15.930 0.018
553 HB3 LYS 73 3HB LYS 73 2.053 14.828 -1.359
554 HG2 LYS 73 2HG LYS 73 2.216 12.902 0.136
555 HG3 LYS 73 3HG LYS 73 2.310 13.967 1.539
556 HD2 LYS 73 2HD LYS 73 0.058 14.847 1.010
557 HD3 LYS 73 3HD LYS 73 -0.038 13.749 -0.369
558 HE2 LYS 73 2HE LYS 73 0.294 12.910 2.528
559 HE3 LYS 73 3HE LYS 73 -1.197 12.798 1.590
560 HZ1 LYS 73 3HZ LYS 73 0.679 11.585 0.027
561 HZ2 LYS 73 1HZ LYS 73 -0.484 10.802 0.982
562 HZ3 LYS 73 2HZ LYS 73 1.077 11.070 1.597
563 H LEU 74 H LEU 74 5.602 13.358 0.616
564 HA LEU 74 HA LEU 74 6.173 11.913 -1.866
565 HB2 LEU 74 2HB LEU 74 7.532 10.431 -0.421
566 HB3 LEU 74 3HB LEU 74 7.909 12.128 -0.157
567 HG LEU 74 HG LEU 74 5.890 11.715 1.736
568 HD11 LEU 74 1HD1 LEU 74 7.626 9.226 1.752
569 HD12 LEU 74 2HD1 LEU 74 5.945 9.257 1.226
570 HD13 LEU 74 3HD1 LEU 74 6.349 9.633 2.899
571 HD21 LEU 74 3HD2 LEU 74 8.885 11.361 2.098
572 HD22 LEU 74 1HD2 LEU 74 7.737 11.621 3.413
573 HD23 LEU 74 2HD2 LEU 74 7.990 12.877 2.199
574 H HIS 75 H HIS 75 5.333 9.902 -2.480
575 HA HIS 75 HA HIS 75 2.932 8.953 -0.942
576 HB2 HIS 75 2HB HIS 75 3.800 8.492 -3.818
577 HB3 HIS 75 3HB HIS 75 2.365 7.781 -3.076
578 HD1 HIS 75 HD1 HIS 75 1.033 9.947 -1.619
579 HD2 HIS 75 HD2 HIS 75 2.952 10.712 -5.241
580 HE1 HIS 75 HE1 HIS 75 0.052 12.106 -2.506
581 H SER 76 H SER 76 3.160 7.155 0.238
582 HA SER 76 HA SER 76 5.589 5.586 0.172
583 HB2 SER 76 2HB SER 76 2.922 5.063 1.524
584 HB3 SER 76 3HB SER 76 4.385 4.120 1.796
585 HG SER 76 HG SER 76 5.384 5.993 2.561
586 H GLU 77 H GLU 77 5.817 3.406 -0.552
587 HA GLU 77 HA GLU 77 3.625 2.271 -2.254
588 HB2 GLU 77 2HB GLU 77 6.509 2.711 -3.116
589 HB3 GLU 77 3HB GLU 77 5.357 1.707 -3.993
590 HG2 GLU 77 2HG GLU 77 3.888 3.642 -4.324
591 HG3 GLU 77 3HG GLU 77 4.986 4.661 -3.397
592 H ILE 78 H ILE 78 3.807 -0.021 -2.509
593 HA ILE 78 HA ILE 78 5.899 -1.435 -0.910
594 HB ILE 78 HB ILE 78 4.062 -2.892 0.062
595 HG12 ILE 78 2HG1 ILE 78 2.267 -0.614 -0.855
596 HG13 ILE 78 3HG1 ILE 78 2.343 -2.180 -1.658
597 HG21 ILE 78 1HG2 ILE 78 3.476 -1.302 1.826
598 HG22 ILE 78 2HG2 ILE 78 3.899 0.055 0.783
599 HG23 ILE 78 3HG2 ILE 78 5.154 -1.048 1.347
600 HD11 ILE 78 3HD1 ILE 78 0.467 -2.095 -0.069
601 HD12 ILE 78 1HD1 ILE 78 1.585 -1.739 1.244
602 HD13 ILE 78 2HD1 ILE 78 1.659 -3.298 0.423
603 H ARG 79 H ARG 79 6.085 -3.690 -1.555
604 HA ARG 79 HA ARG 79 4.667 -4.485 -4.079
605 HB2 ARG 79 2HB ARG 79 6.902 -3.487 -4.654
606 HB3 ARG 79 3HB ARG 79 7.669 -4.693 -3.628
607 HG2 ARG 79 2HG ARG 79 6.753 -6.497 -5.075
608 HG3 ARG 79 3HG ARG 79 6.016 -5.275 -6.118
609 HD2 ARG 79 2HD ARG 79 8.281 -4.265 -6.464
610 HD3 ARG 79 3HD ARG 79 8.985 -5.582 -5.539
611 HE ARG 79 HE ARG 79 8.199 -5.667 -8.322
612 HH11 ARG 79 1HH2 ARG 79 8.126 -7.633 -5.473
613 HH12 ARG 79 2HH2 ARG 79 8.661 -9.057 -6.299
614 HH21 ARG 79 1HH1 ARG 79 8.995 -7.497 -9.370
615 HH22 ARG 79 2HH1 ARG 79 9.161 -8.982 -8.489
616 H LEU 80 H LEU 80 4.436 -6.742 -4.244
617 HA LEU 80 HA LEU 80 4.717 -8.181 -1.673
618 HB2 LEU 80 2HB LEU 80 2.673 -8.070 -3.375
619 HB3 LEU 80 3HB LEU 80 3.546 -9.346 -4.210
620 HG LEU 80 HG LEU 80 1.963 -10.360 -2.694
621 HD11 LEU 80 1HD1 LEU 80 3.405 -11.806 -1.442
622 HD12 LEU 80 2HD1 LEU 80 4.682 -10.591 -1.389
623 HD13 LEU 80 3HD1 LEU 80 4.261 -11.364 -2.915
624 HD21 LEU 80 3HD2 LEU 80 3.211 -9.314 -0.178
625 HD22 LEU 80 1HD2 LEU 80 1.529 -9.686 -0.538
626 HD23 LEU 80 2HD2 LEU 80 2.217 -8.165 -1.069
627 H ARG 81 H ARG 81 6.567 -9.310 -1.326
628 HA ARG 81 HA ARG 81 8.557 -9.810 -3.321
629 HB2 ARG 81 2HB ARG 81 8.096 -10.951 -0.545
630 HB3 ARG 81 3HB ARG 81 9.528 -11.334 -1.509
631 HG2 ARG 81 2HG ARG 81 10.090 -8.964 -1.674
632 HG3 ARG 81 3HG ARG 81 8.626 -8.532 -0.798
633 HD2 ARG 81 2HD ARG 81 9.443 -9.627 1.209
634 HD3 ARG 81 3HD ARG 81 10.879 -10.201 0.355
635 HE ARG 81 HE ARG 81 10.260 -7.350 1.006
636 HH11 ARG 81 1HH2 ARG 81 12.559 -9.789 0.104
637 HH12 ARG 81 2HH2 ARG 81 13.800 -8.646 -0.268
638 HH21 ARG 81 1HH1 ARG 81 11.863 -5.870 0.445
639 HH22 ARG 81 2HH1 ARG 81 13.411 -6.443 -0.076
640 H HIS 82 H HIS 82 6.065 -11.880 -1.913
641 HA HIS 82 HA HIS 82 5.182 -13.909 -2.622
642 HB2 HIS 82 2HB HIS 82 5.037 -12.558 -4.816
643 HB3 HIS 82 3HB HIS 82 6.501 -13.396 -5.315
644 HD1 HIS 82 HD1 HIS 82 6.290 -15.819 -6.053
645 HD2 HIS 82 HD2 HIS 82 2.743 -14.314 -4.463
646 HE1 HIS 82 HE1 HIS 82 4.501 -17.545 -6.533
647 H ASP 83 H ASP 83 8.197 -13.834 -4.544
648 HA ASP 83 HA ASP 83 8.935 -16.509 -4.094
649 HB2 ASP 83 2HB ASP 83 10.681 -14.069 -4.539
650 HB3 ASP 83 3HB ASP 83 11.265 -15.730 -4.626
651 H GLY 84 H GLY 84 11.171 -14.165 -2.726
652 HA2 GLY 84 2HA GLY 84 11.916 -13.865 -0.502
653 HA3 GLY 84 3HA GLY 84 10.613 -14.913 0.055
654 H LEU 85 H LEU 85 12.544 -16.162 -2.517
655 HA LEU 85 HA LEU 85 13.654 -18.254 -0.740
656 HB2 LEU 85 2HB LEU 85 13.601 -17.806 -3.740
657 HB3 LEU 85 3HB LEU 85 14.636 -19.045 -3.040
658 HG LEU 85 HG LEU 85 12.425 -19.920 -3.802
659 HD11 LEU 85 1HD1 LEU 85 13.796 -20.756 -1.641
660 HD12 LEU 85 2HD1 LEU 85 12.242 -21.449 -2.078
661 HD13 LEU 85 3HD1 LEU 85 12.331 -20.232 -0.809
662 HD21 LEU 85 3HD2 LEU 85 10.383 -19.311 -2.698
663 HD22 LEU 85 1HD2 LEU 85 11.164 -17.803 -3.172
664 HD23 LEU 85 2HD2 LEU 85 11.241 -18.347 -1.496
665 H GLU 86 H GLU 86 14.573 -15.175 -1.598
666 HA GLU 86 HA GLU 86 17.321 -15.447 -2.300
667 HB2 GLU 86 2HB GLU 86 15.863 -13.247 -0.800
668 HB3 GLU 86 3HB GLU 86 17.524 -13.106 -1.374
669 HG2 GLU 86 2HG GLU 86 16.798 -13.454 -3.679
670 HG3 GLU 86 3HG GLU 86 15.139 -13.718 -3.145
671 H HIS 87 H HIS 87 19.037 -16.101 -1.120
672 HA HIS 87 HA HIS 87 18.675 -16.884 1.680
673 HB2 HIS 87 2HB HIS 87 20.034 -18.197 0.035
674 HB3 HIS 87 3HB HIS 87 21.191 -16.868 -0.016
675 HD1 HIS 87 HD1 HIS 87 22.678 -16.489 2.074
676 HD2 HIS 87 HD2 HIS 87 20.080 -19.728 2.446
677 HE1 HIS 87 HE1 HIS 87 23.452 -17.799 4.098
678 H HIS 88 H HIS 88 20.277 -16.140 3.358
679 HA HIS 88 HA HIS 88 21.520 -13.487 2.891
680 HB2 HIS 88 2HB HIS 88 20.354 -12.510 4.873
681 HB3 HIS 88 3HB HIS 88 19.245 -12.871 3.549
682 HD1 HIS 88 HD1 HIS 88 17.958 -15.254 3.767
683 HD2 HIS 88 HD2 HIS 88 19.702 -13.781 7.256
684 HE1 HIS 88 HE1 HIS 88 16.908 -16.530 5.685
685 H HIS 89 H HIS 89 23.205 -13.087 4.371
686 HA HIS 89 HA HIS 89 24.124 -15.458 5.889
687 HB2 HIS 89 2HB HIS 89 25.411 -12.754 5.390
688 HB3 HIS 89 3HB HIS 89 26.186 -14.111 6.212
689 HD1 HIS 89 HD1 HIS 89 26.237 -16.417 4.704
690 HD2 HIS 89 HD2 HIS 89 25.736 -12.827 2.645
691 HE1 HIS 89 HE1 HIS 89 26.782 -16.902 2.279
692 H HIS 90 H HIS 90 23.991 -15.642 8.069
693 HA HIS 90 HA HIS 90 22.420 -13.797 9.609
694 HB2 HIS 90 2HB HIS 90 24.262 -16.067 10.430
695 HB3 HIS 90 3HB HIS 90 23.238 -15.186 11.564
696 HD1 HIS 90 HD1 HIS 90 23.021 -17.488 8.569
697 HD2 HIS 90 HD2 HIS 90 20.517 -15.879 11.488
698 HE1 HIS 90 HE1 HIS 90 20.802 -18.691 8.353
699 H HIS 91 H HIS 91 25.910 -14.289 9.245
700 HA HIS 91 HA HIS 91 26.747 -12.561 11.353
701 HB2 HIS 91 2HB HIS 91 28.102 -13.230 8.723
702 HB3 HIS 91 3HB HIS 91 28.891 -12.431 10.083
703 HD1 HIS 91 HD1 HIS 91 28.894 -13.866 12.395
704 HD2 HIS 91 HD2 HIS 91 28.058 -15.995 8.911
705 HE1 HIS 91 HE1 HIS 91 29.226 -16.314 12.955
706 H HIS 92 H HIS 92 25.996 -11.916 7.949
707 HA HIS 92 HA HIS 92 26.787 -9.151 8.000
708 HB2 HIS 92 2HB HIS 92 26.474 -10.433 5.904
709 HB3 HIS 92 3HB HIS 92 24.745 -10.531 6.230
710 HD1 HIS 92 HD1 HIS 92 27.441 -7.895 5.678
711 HD2 HIS 92 HD2 HIS 92 23.310 -8.336 5.321
712 HE1 HIS 92 HE1 HIS 92 26.589 -5.788 4.556
Start of MODEL 17
1 H1 MET 1 1H MET 1 -19.715 -11.751 0.994
2 H2 MET 1 2H MET 1 -20.093 -10.431 -0.009
3 H3 MET 1 3H MET 1 -18.509 -10.637 0.573
4 HA MET 1 HA MET 1 -18.994 -12.988 -0.689
5 HB2 MET 1 2HB MET 1 -20.093 -10.692 -2.346
6 HB3 MET 1 3HB MET 1 -19.897 -12.363 -2.880
7 HG2 MET 1 2HG MET 1 -21.485 -13.117 -1.162
8 HG3 MET 1 3HG MET 1 -21.672 -11.460 -0.591
9 HE1 MET 1 3HE MET 1 -22.177 -9.481 -2.441
10 HE2 MET 1 1HE MET 1 -23.453 -9.975 -1.317
11 HE3 MET 1 2HE MET 1 -23.834 -9.675 -3.011
12 HA PRO 2 HA PRO 2 -15.088 -10.435 -1.254
13 HB2 PRO 2 2HB PRO 2 -13.850 -13.061 -0.484
14 HB3 PRO 2 3HB PRO 2 -13.498 -11.429 0.134
15 HG2 PRO 2 2HG PRO 2 -14.849 -13.190 1.619
16 HG3 PRO 2 3HG PRO 2 -15.271 -11.468 1.633
17 HD2 PRO 2 2HD PRO 2 -16.661 -13.734 0.190
18 HD3 PRO 2 3HD PRO 2 -17.371 -12.359 1.074
19 H HIS 3 H HIS 3 -13.652 -10.533 -3.043
20 HA HIS 3 HA HIS 3 -14.525 -11.985 -5.339
21 HB2 HIS 3 2HB HIS 3 -11.856 -10.673 -4.728
22 HB3 HIS 3 3HB HIS 3 -12.312 -11.287 -6.318
23 HD1 HIS 3 HD1 HIS 3 -13.235 -8.622 -3.803
24 HD2 HIS 3 HD2 HIS 3 -14.119 -9.654 -7.744
25 HE1 HIS 3 HE1 HIS 3 -14.551 -6.686 -4.772
26 H LYS 4 H LYS 4 -11.909 -12.621 -2.992
27 HA LYS 4 HA LYS 4 -12.050 -15.490 -3.606
28 HB2 LYS 4 2HB LYS 4 -10.471 -14.464 -5.346
29 HB3 LYS 4 3HB LYS 4 -9.388 -14.082 -4.011
30 HG2 LYS 4 2HG LYS 4 -9.236 -16.460 -3.415
31 HG3 LYS 4 3HG LYS 4 -10.397 -16.867 -4.678
32 HD2 LYS 4 2HD LYS 4 -8.840 -15.973 -6.379
33 HD3 LYS 4 3HD LYS 4 -7.672 -15.609 -5.107
34 HE2 LYS 4 2HE LYS 4 -8.772 -18.377 -5.680
35 HE3 LYS 4 3HE LYS 4 -7.214 -17.785 -6.257
36 HZ1 LYS 4 3HZ LYS 4 -7.933 -18.760 -3.676
37 HZ2 LYS 4 1HZ LYS 4 -7.228 -17.220 -3.580
38 HZ3 LYS 4 2HZ LYS 4 -6.392 -18.490 -4.337
39 H GLU 5 H GLU 5 -12.744 -14.515 -1.246
40 HA GLU 5 HA GLU 5 -12.249 -14.435 1.062
41 HB2 GLU 5 2HB GLU 5 -11.847 -16.840 0.465
42 HB3 GLU 5 3HB GLU 5 -10.144 -16.454 0.233
43 HG2 GLU 5 2HG GLU 5 -9.969 -15.725 2.571
44 HG3 GLU 5 3HG GLU 5 -11.686 -16.043 2.814
45 H LYS 6 H LYS 6 -11.381 -12.268 1.130
46 HA LYS 6 HA LYS 6 -8.458 -11.909 0.745
47 HB2 LYS 6 2HB LYS 6 -10.659 -9.962 1.486
48 HB3 LYS 6 3HB LYS 6 -8.976 -9.521 1.186
49 HG2 LYS 6 2HG LYS 6 -9.137 -10.454 -1.093
50 HG3 LYS 6 3HG LYS 6 -10.821 -10.880 -0.797
51 HD2 LYS 6 2HD LYS 6 -11.306 -8.458 -0.377
52 HD3 LYS 6 3HD LYS 6 -9.642 -8.088 -0.833
53 HE2 LYS 6 2HE LYS 6 -11.614 -9.539 -2.623
54 HE3 LYS 6 3HE LYS 6 -11.261 -7.815 -2.729
55 HZ1 LYS 6 3HZ LYS 6 -8.961 -9.586 -2.722
56 HZ2 LYS 6 1HZ LYS 6 -9.253 -8.188 -3.637
57 HZ3 LYS 6 2HZ LYS 6 -9.947 -9.668 -4.104
58 H HIS 7 H HIS 7 -9.458 -13.591 2.975
59 HA HIS 7 HA HIS 7 -9.192 -12.051 5.428
60 HB2 HIS 7 2HB HIS 7 -10.066 -14.665 4.738
61 HB3 HIS 7 3HB HIS 7 -8.653 -14.945 5.741
62 HD1 HIS 7 HD1 HIS 7 -12.124 -13.493 5.835
63 HD2 HIS 7 HD2 HIS 7 -8.967 -14.212 8.457
64 HE1 HIS 7 HE1 HIS 7 -13.052 -13.186 8.172
65 HA PRO 8 HA PRO 8 -4.735 -14.061 5.361
66 HB2 PRO 8 2HB PRO 8 -4.168 -14.188 2.428
67 HB3 PRO 8 3HB PRO 8 -3.837 -15.395 3.685
68 HG2 PRO 8 2HG PRO 8 -5.802 -15.744 1.876
69 HG3 PRO 8 3HG PRO 8 -5.951 -16.323 3.546
70 HD2 PRO 8 2HD PRO 8 -7.184 -13.869 2.292
71 HD3 PRO 8 3HD PRO 8 -7.887 -15.002 3.468
72 H LEU 9 H LEU 9 -2.976 -12.667 5.523
73 HA LEU 9 HA LEU 9 -3.351 -9.911 4.812
74 HB2 LEU 9 2HB LEU 9 -0.732 -11.273 5.511
75 HB3 LEU 9 3HB LEU 9 -1.131 -9.567 5.703
76 HG LEU 9 HG LEU 9 -2.481 -11.858 7.173
77 HD11 LEU 9 1HD1 LEU 9 -0.199 -11.540 7.949
78 HD12 LEU 9 2HD1 LEU 9 -1.305 -10.878 9.153
79 HD13 LEU 9 3HD1 LEU 9 -0.442 -9.797 8.059
80 HD21 LEU 9 3HD2 LEU 9 -4.101 -10.122 7.039
81 HD22 LEU 9 1HD2 LEU 9 -2.886 -8.848 7.183
82 HD23 LEU 9 2HD2 LEU 9 -3.317 -9.823 8.587
83 H GLN 10 H GLN 10 -1.382 -12.523 3.390
84 HA GLN 10 HA GLN 10 -0.093 -10.909 1.411
85 HB2 GLN 10 2HB GLN 10 0.588 -13.235 2.030
86 HB3 GLN 10 3HB GLN 10 -0.854 -13.839 1.217
87 HG2 GLN 10 2HG GLN 10 -0.089 -12.920 -0.913
88 HG3 GLN 10 3HG GLN 10 1.309 -12.191 -0.122
89 HE21 GLN 10 1HE2 GLN 10 3.173 -13.424 -0.340
90 HE22 GLN 10 2HE2 GLN 10 3.218 -15.113 -0.490
91 H ASP 11 H ASP 11 -3.121 -12.787 1.316
92 HA ASP 11 HA ASP 11 -3.733 -12.229 -1.425
93 HB2 ASP 11 2HB ASP 11 -5.490 -12.910 0.942
94 HB3 ASP 11 3HB ASP 11 -6.123 -12.745 -0.690
95 H MET 12 H MET 12 -4.461 -10.502 1.594
96 HA MET 12 HA MET 12 -6.227 -8.555 0.491
97 HB2 MET 12 2HB MET 12 -5.779 -8.996 2.946
98 HB3 MET 12 3HB MET 12 -4.255 -8.132 2.761
99 HG2 MET 12 2HG MET 12 -5.842 -6.539 3.596
100 HG3 MET 12 3HG MET 12 -5.619 -6.158 1.888
101 HE1 MET 12 3HE MET 12 -8.298 -6.643 4.587
102 HE2 MET 12 1HE MET 12 -7.518 -8.221 4.416
103 HE3 MET 12 2HE MET 12 -9.217 -8.024 3.994
104 H PHE 13 H PHE 13 -2.693 -8.292 1.119
105 HA PHE 13 HA PHE 13 -2.471 -5.763 -0.266
106 HB2 PHE 13 2HB PHE 13 -0.398 -7.823 0.548
107 HB3 PHE 13 3HB PHE 13 0.016 -6.285 -0.202
108 HD1 PHE 13 HD1 PHE 13 -1.113 -4.152 0.898
109 HD2 PHE 13 HD2 PHE 13 -0.500 -7.893 2.927
110 HE1 PHE 13 HE1 PHE 13 -1.255 -2.995 3.088
111 HE2 PHE 13 HE2 PHE 13 -0.651 -6.734 5.109
112 HZ PHE 13 HZ PHE 13 -1.027 -4.285 5.190
113 H THR 14 H THR 14 -1.883 -9.146 -1.239
114 HA THR 14 HA THR 14 -0.775 -8.560 -3.801
115 HB THR 14 HB THR 14 -2.430 -10.952 -2.937
116 HG1 THR 14 HG1 THR 14 0.036 -11.617 -3.056
117 HG21 THR 14 3HG2 THR 14 -1.101 -12.098 -4.759
118 HG22 THR 14 1HG2 THR 14 -0.588 -10.499 -5.297
119 HG23 THR 14 2HG2 THR 14 -2.296 -10.942 -5.338
120 H SER 15 H SER 15 -4.154 -9.173 -2.809
121 HA SER 15 HA SER 15 -5.306 -9.001 -5.400
122 HB2 SER 15 2HB SER 15 -7.416 -8.470 -4.209
123 HB3 SER 15 3HB SER 15 -6.563 -9.810 -3.446
124 HG SER 15 HG SER 15 -6.176 -7.129 -2.645
125 H ALA 16 H ALA 16 -4.740 -6.446 -2.968
126 HA ALA 16 HA ALA 16 -5.849 -4.348 -4.632
127 HB1 ALA 16 3HB ALA 16 -4.905 -2.822 -2.975
128 HB2 ALA 16 1HB ALA 16 -3.912 -4.121 -2.313
129 HB3 ALA 16 2HB ALA 16 -5.666 -4.183 -2.154
130 H ILE 17 H ILE 17 -2.491 -5.311 -3.854
131 HA ILE 17 HA ILE 17 -1.250 -3.319 -5.476
132 HB ILE 17 HB ILE 17 -0.310 -6.082 -4.638
133 HG12 ILE 17 2HG1 ILE 17 0.502 -3.360 -3.549
134 HG13 ILE 17 3HG1 ILE 17 -0.832 -4.287 -2.865
135 HG21 ILE 17 1HG2 ILE 17 1.049 -5.470 -6.530
136 HG22 ILE 17 2HG2 ILE 17 2.004 -5.091 -5.099
137 HG23 ILE 17 3HG2 ILE 17 1.182 -3.800 -5.975
138 HD11 ILE 17 3HD1 ILE 17 2.056 -5.192 -3.080
139 HD12 ILE 17 1HD1 ILE 17 0.733 -6.200 -2.493
140 HD13 ILE 17 2HD1 ILE 17 1.202 -4.756 -1.601
141 H GLU 18 H GLU 18 -2.199 -6.687 -6.233
142 HA GLU 18 HA GLU 18 -1.203 -6.640 -8.915
143 HB2 GLU 18 2HB GLU 18 -1.792 -8.705 -7.621
144 HB3 GLU 18 3HB GLU 18 -3.495 -8.281 -7.795
145 HG2 GLU 18 2HG GLU 18 -3.315 -8.401 -10.231
146 HG3 GLU 18 3HG GLU 18 -1.585 -8.723 -10.109
147 H ALA 19 H ALA 19 -4.281 -5.644 -7.479
148 HA ALA 19 HA ALA 19 -5.719 -5.378 -9.952
149 HB1 ALA 19 3HB ALA 19 -7.247 -3.911 -8.625
150 HB2 ALA 19 1HB ALA 19 -6.093 -3.971 -7.292
151 HB3 ALA 19 2HB ALA 19 -6.905 -5.444 -7.824
152 H VAL 20 H VAL 20 -4.299 -2.783 -7.899
153 HA VAL 20 HA VAL 20 -4.305 -0.970 -10.276
154 HB VAL 20 HB VAL 20 -3.658 0.781 -8.554
155 HG11 VAL 20 1HG1 VAL 20 -5.938 0.854 -7.541
156 HG12 VAL 20 2HG1 VAL 20 -6.227 -0.778 -8.143
157 HG13 VAL 20 3HG1 VAL 20 -5.974 0.549 -9.278
158 HG21 VAL 20 3HG2 VAL 20 -4.447 -1.337 -6.533
159 HG22 VAL 20 1HG2 VAL 20 -3.786 0.266 -6.220
160 HG23 VAL 20 2HG2 VAL 20 -2.762 -0.987 -6.918
161 H ALA 21 H ALA 21 -2.341 -3.226 -9.984
162 HA ALA 21 HA ALA 21 0.200 -2.409 -9.159
163 HB1 ALA 21 3HB ALA 21 -0.386 -3.991 -11.674
164 HB2 ALA 21 1HB ALA 21 -0.440 -4.671 -10.049
165 HB3 ALA 21 2HB ALA 21 1.082 -4.054 -10.695
166 H ARG 22 H ARG 22 -1.689 -1.199 -11.805
167 HA ARG 22 HA ARG 22 -1.264 0.486 -13.382
168 HB2 ARG 22 2HB ARG 22 -0.466 1.542 -11.191
169 HB3 ARG 22 3HB ARG 22 1.169 1.155 -11.693
170 HG2 ARG 22 2HG ARG 22 0.836 2.536 -13.749
171 HG3 ARG 22 3HG ARG 22 -0.791 2.907 -13.161
172 HD2 ARG 22 2HD ARG 22 0.280 3.777 -11.008
173 HD3 ARG 22 3HD ARG 22 1.835 3.580 -11.785
174 HE ARG 22 HE ARG 22 1.325 5.889 -12.111
175 HH11 ARG 22 1HH2 ARG 22 -0.646 4.086 -14.251
176 HH12 ARG 22 2HH2 ARG 22 -1.808 5.346 -14.449
177 HH21 ARG 22 1HH1 ARG 22 -0.191 7.550 -12.355
178 HH22 ARG 22 2HH1 ARG 22 -1.547 7.292 -13.405
179 H ASP 23 H ASP 23 -0.324 -2.078 -14.024
180 HA ASP 23 HA ASP 23 1.277 -3.244 -15.302
181 HB2 ASP 23 2HB ASP 23 1.762 -2.098 -17.399
182 HB3 ASP 23 3HB ASP 23 0.099 -1.777 -16.910
183 H SER 24 H SER 24 2.484 -2.086 -12.939
184 HA SER 24 HA SER 24 5.301 -1.852 -13.916
185 HB2 SER 24 2HB SER 24 5.718 0.033 -12.362
186 HB3 SER 24 3HB SER 24 4.546 0.470 -13.602
187 HG SER 24 HG SER 24 3.675 -0.635 -11.169
188 H GLY 25 H GLY 25 3.230 -3.543 -12.152
189 HA2 GLY 25 2HA GLY 25 3.587 -5.161 -10.480
190 HA3 GLY 25 3HA GLY 25 5.288 -4.703 -10.462
191 H TRP 26 H TRP 26 5.054 -1.979 -9.822
192 HA TRP 26 HA TRP 26 4.580 -2.148 -6.950
193 HB2 TRP 26 2HB TRP 26 5.232 0.199 -8.767
194 HB3 TRP 26 3HB TRP 26 5.164 0.294 -7.007
195 HD1 TRP 26 HD1 TRP 26 7.407 -0.723 -9.823
196 HE1 TRP 26 HE1 TRP 26 9.602 -1.697 -8.882
197 HE3 TRP 26 HE3 TRP 26 6.125 -1.182 -4.907
198 HZ2 TRP 26 HZ2 TRP 26 10.670 -2.559 -6.368
199 HZ3 TRP 26 HZ3 TRP 26 7.743 -2.081 -3.260
200 HH2 TRP 26 HH2 TRP 26 10.010 -2.770 -3.984
201 H ALA 27 H ALA 27 3.240 -0.221 -5.954
202 HA ALA 27 HA ALA 27 0.841 0.527 -7.502
203 HB1 ALA 27 3HB ALA 27 0.693 -1.257 -5.050
204 HB2 ALA 27 1HB ALA 27 0.205 -1.692 -6.687
205 HB3 ALA 27 2HB ALA 27 -0.692 -0.462 -5.798
206 H GLU 28 H GLU 28 -0.164 2.354 -6.575
207 HA GLU 28 HA GLU 28 1.459 3.903 -4.741
208 HB2 GLU 28 2HB GLU 28 0.037 4.917 -6.524
209 HB3 GLU 28 3HB GLU 28 -1.399 4.387 -5.649
210 HG2 GLU 28 2HG GLU 28 -0.760 5.766 -3.717
211 HG3 GLU 28 3HG GLU 28 0.721 6.256 -4.540
212 H LEU 29 H LEU 29 1.394 3.853 -2.544
213 HA LEU 29 HA LEU 29 -0.078 2.011 -1.034
214 HB2 LEU 29 2HB LEU 29 1.919 3.345 -0.266
215 HB3 LEU 29 3HB LEU 29 0.857 4.741 -0.101
216 HG LEU 29 HG LEU 29 -0.542 3.431 1.527
217 HD11 LEU 29 1HD1 LEU 29 1.574 1.343 0.978
218 HD12 LEU 29 2HD1 LEU 29 -0.171 1.147 1.155
219 HD13 LEU 29 3HD1 LEU 29 0.830 1.429 2.574
220 HD21 LEU 29 3HD2 LEU 29 1.140 5.004 2.346
221 HD22 LEU 29 1HD2 LEU 29 2.399 3.779 2.191
222 HD23 LEU 29 2HD2 LEU 29 1.121 3.579 3.387
223 H SER 30 H SER 30 -0.892 5.407 -1.774
224 HA SER 30 HA SER 30 -3.256 5.549 -0.189
225 HB2 SER 30 2HB SER 30 -2.210 7.533 -1.255
226 HB3 SER 30 3HB SER 30 -2.690 6.923 -2.838
227 HG SER 30 HG SER 30 -4.832 7.129 -2.228
228 H ALA 31 H ALA 31 -2.761 4.505 -3.561
229 HA ALA 31 HA ALA 31 -5.500 4.028 -4.173
230 HB1 ALA 31 3HB ALA 31 -3.016 2.634 -5.219
231 HB2 ALA 31 1HB ALA 31 -3.782 4.059 -5.918
232 HB3 ALA 31 2HB ALA 31 -4.620 2.505 -5.941
233 H VAL 32 H VAL 32 -3.068 1.978 -2.583
234 HA VAL 32 HA VAL 32 -4.584 -0.441 -2.591
235 HB VAL 32 HB VAL 32 -2.555 0.602 -0.585
236 HG11 VAL 32 1HG1 VAL 32 -2.263 -1.882 -0.086
237 HG12 VAL 32 2HG1 VAL 32 -3.766 -2.153 -0.966
238 HG13 VAL 32 3HG1 VAL 32 -3.767 -1.175 0.499
239 HG21 VAL 32 3HG2 VAL 32 -2.256 -1.342 -2.897
240 HG22 VAL 32 1HG2 VAL 32 -0.965 -0.738 -1.859
241 HG23 VAL 32 2HG2 VAL 32 -1.795 0.358 -2.961
242 H GLY 33 H GLY 33 -4.365 2.124 -0.114
243 HA2 GLY 33 2HA GLY 33 -6.220 0.966 1.705
244 HA3 GLY 33 3HA GLY 33 -5.854 2.688 1.617
245 H SER 34 H SER 34 -6.776 3.393 -0.864
246 HA SER 34 HA SER 34 -9.616 3.529 -0.462
247 HB2 SER 34 2HB SER 34 -7.996 4.085 -2.967
248 HB3 SER 34 3HB SER 34 -9.679 4.541 -2.725
249 HG SER 34 HG SER 34 -7.344 5.542 -1.551
250 H TYR 35 H TYR 35 -7.609 1.546 -2.645
251 HA TYR 35 HA TYR 35 -9.738 0.308 -4.073
252 HB2 TYR 35 2HB TYR 35 -7.383 0.125 -4.772
253 HB3 TYR 35 3HB TYR 35 -7.015 -0.810 -3.324
254 HD1 TYR 35 HD2 TYR 35 -7.803 -3.128 -3.074
255 HD2 TYR 35 HD1 TYR 35 -8.677 -0.852 -6.613
256 HE1 TYR 35 HE2 TYR 35 -8.483 -5.208 -4.245
257 HE2 TYR 35 HE1 TYR 35 -9.360 -2.930 -7.781
258 HH TYR 35 HH TYR 35 -9.970 -5.822 -6.186
259 H LEU 36 H LEU 36 -8.006 -0.799 -1.144
260 HA LEU 36 HA LEU 36 -9.587 -3.151 -0.779
261 HB2 LEU 36 2HB LEU 36 -8.077 -1.436 1.216
262 HB3 LEU 36 3HB LEU 36 -8.777 -3.008 1.612
263 HG LEU 36 HG LEU 36 -6.761 -2.567 -0.619
264 HD11 LEU 36 1HD1 LEU 36 -6.291 -3.615 2.188
265 HD12 LEU 36 2HD1 LEU 36 -5.775 -2.042 1.583
266 HD13 LEU 36 3HD1 LEU 36 -5.085 -3.516 0.906
267 HD21 LEU 36 3HD2 LEU 36 -7.799 -4.610 -1.141
268 HD22 LEU 36 1HD2 LEU 36 -8.106 -5.017 0.550
269 HD23 LEU 36 2HD2 LEU 36 -6.479 -5.163 -0.118
270 H ALA 37 H ALA 37 -9.961 0.164 0.448
271 HA ALA 37 HA ALA 37 -12.202 -0.325 2.126
272 HB1 ALA 37 3HB ALA 37 -12.724 2.082 1.820
273 HB2 ALA 37 1HB ALA 37 -11.566 2.154 0.491
274 HB3 ALA 37 2HB ALA 37 -11.007 1.826 2.130
275 H LYS 38 H LYS 38 -12.072 0.567 -1.323
276 HA LYS 38 HA LYS 38 -14.903 0.570 -1.736
277 HB2 LYS 38 2HB LYS 38 -13.219 1.561 -3.300
278 HB3 LYS 38 3HB LYS 38 -12.727 -0.072 -3.748
279 HG2 LYS 38 2HG LYS 38 -14.987 -0.558 -4.566
280 HG3 LYS 38 3HG LYS 38 -15.535 1.039 -4.053
281 HD2 LYS 38 2HD LYS 38 -13.917 2.086 -5.598
282 HD3 LYS 38 3HD LYS 38 -13.388 0.486 -6.122
283 HE2 LYS 38 2HE LYS 38 -15.659 -0.016 -6.926
284 HE3 LYS 38 3HE LYS 38 -16.207 1.573 -6.388
285 HZ1 LYS 38 3HZ LYS 38 -14.155 1.015 -8.457
286 HZ2 LYS 38 1HZ LYS 38 -14.539 2.562 -7.879
287 HZ3 LYS 38 2HZ LYS 38 -15.709 1.655 -8.714
288 H ASN 39 H ASN 39 -12.449 -1.992 -2.122
289 HA ASN 39 HA ASN 39 -14.490 -3.974 -2.909
290 HB2 ASN 39 2HB ASN 39 -11.522 -4.221 -2.312
291 HB3 ASN 39 3HB ASN 39 -12.540 -5.546 -2.885
292 HD21 ASN 39 1HD2 ASN 39 -10.573 -2.962 -3.929
293 HD22 ASN 39 2HD2 ASN 39 -11.085 -2.909 -5.546
294 H ASP 40 H ASP 40 -13.557 -2.613 -0.029
295 HA ASP 40 HA ASP 40 -14.880 -4.704 1.534
296 HB2 ASP 40 2HB ASP 40 -12.481 -5.512 1.294
297 HB3 ASP 40 3HB ASP 40 -11.976 -4.074 2.177
298 HA PRO 41 HA PRO 41 -15.286 -0.214 2.854
299 HB2 PRO 41 2HB PRO 41 -18.000 -1.321 3.559
300 HB3 PRO 41 3HB PRO 41 -17.588 0.217 2.764
301 HG2 PRO 41 2HG PRO 41 -18.582 -1.815 1.353
302 HG3 PRO 41 3HG PRO 41 -17.306 -0.783 0.683
303 HD2 PRO 41 2HD PRO 41 -17.073 -3.569 1.818
304 HD3 PRO 41 3HD PRO 41 -16.217 -2.846 0.436
305 H SER 42 H SER 42 -15.945 -3.300 4.369
306 HA SER 42 HA SER 42 -16.243 -2.369 7.067
307 HB2 SER 42 2HB SER 42 -15.101 -5.054 6.226
308 HB3 SER 42 3HB SER 42 -16.001 -4.671 7.692
309 HG SER 42 HG SER 42 -16.899 -4.921 5.033
310 H PHE 43 H PHE 43 -13.598 -2.302 4.998
311 HA PHE 43 HA PHE 43 -11.465 -2.877 6.861
312 HB2 PHE 43 2HB PHE 43 -11.182 -2.868 4.377
313 HB3 PHE 43 3HB PHE 43 -11.380 -1.113 4.398
314 HD1 PHE 43 HD2 PHE 43 -9.402 -3.830 6.062
315 HD2 PHE 43 HD1 PHE 43 -9.433 0.225 4.653
316 HE1 PHE 43 HE2 PHE 43 -7.007 -3.602 6.665
317 HE2 PHE 43 HE1 PHE 43 -7.040 0.457 5.263
318 HZ PHE 43 HZ PHE 43 -5.827 -1.457 6.267
319 H ASP 44 H ASP 44 -10.539 -1.571 8.358
320 HA ASP 44 HA ASP 44 -11.519 1.276 8.614
321 HB2 ASP 44 2HB ASP 44 -10.698 -0.766 10.706
322 HB3 ASP 44 3HB ASP 44 -11.034 0.928 11.056
323 HA PRO 45 HA PRO 45 -6.918 1.536 7.747
324 HB2 PRO 45 2HB PRO 45 -7.715 4.391 7.231
325 HB3 PRO 45 3HB PRO 45 -6.721 3.306 6.232
326 HG2 PRO 45 2HG PRO 45 -9.240 3.927 5.549
327 HG3 PRO 45 3HG PRO 45 -8.565 2.320 5.245
328 HD2 PRO 45 2HD PRO 45 -10.500 3.172 7.392
329 HD3 PRO 45 3HD PRO 45 -10.427 1.639 6.499
330 H ARG 46 H ARG 46 -9.092 3.127 9.829
331 HA ARG 46 HA ARG 46 -7.330 4.890 11.245
332 HB2 ARG 46 2HB ARG 46 -9.880 3.459 12.038
333 HB3 ARG 46 3HB ARG 46 -9.082 4.653 13.060
334 HG2 ARG 46 2HG ARG 46 -9.355 6.378 11.357
335 HG3 ARG 46 3HG ARG 46 -9.999 5.192 10.218
336 HD2 ARG 46 2HD ARG 46 -11.986 4.909 11.438
337 HD3 ARG 46 3HD ARG 46 -11.314 5.591 12.912
338 HE ARG 46 HE ARG 46 -11.239 7.784 11.357
339 HH11 ARG 46 1HH2 ARG 46 -13.654 5.309 11.471
340 HH12 ARG 46 2HH2 ARG 46 -14.980 6.416 11.395
341 HH21 ARG 46 1HH1 ARG 46 -13.022 9.256 11.326
342 HH22 ARG 46 2HH1 ARG 46 -14.633 8.617 11.314
343 H ASN 47 H ASN 47 -8.117 1.475 11.564
344 HA ASN 47 HA ASN 47 -6.857 0.998 14.080
345 HB2 ASN 47 2HB ASN 47 -7.241 -0.831 11.687
346 HB3 ASN 47 3HB ASN 47 -6.653 -1.382 13.254
347 HD21 ASN 47 1HD2 ASN 47 -8.455 0.505 14.768
348 HD22 ASN 47 2HD2 ASN 47 -10.011 -0.155 14.630
349 H TRP 48 H TRP 48 -5.599 1.150 10.788
350 HA TRP 48 HA TRP 48 -2.909 0.281 11.545
351 HB2 TRP 48 2HB TRP 48 -3.897 1.700 9.050
352 HB3 TRP 48 3HB TRP 48 -2.333 0.906 9.237
353 HD1 TRP 48 HD1 TRP 48 -6.091 0.031 9.422
354 HE1 TRP 48 HE1 TRP 48 -6.392 -2.409 8.657
355 HE3 TRP 48 HE3 TRP 48 -1.210 -1.281 8.706
356 HZ2 TRP 48 HZ2 TRP 48 -4.781 -4.623 7.842
357 HZ3 TRP 48 HZ3 TRP 48 -0.622 -3.559 7.929
358 HH2 TRP 48 HH2 TRP 48 -2.401 -5.232 7.497
359 H GLY 49 H GLY 49 -4.569 2.966 12.328
360 HA2 GLY 49 2HA GLY 49 -3.867 5.031 13.218
361 HA3 GLY 49 3HA GLY 49 -2.206 4.468 13.039
362 H HIS 50 H HIS 50 -3.532 4.048 10.078
363 HA HIS 50 HA HIS 50 -3.321 5.169 8.039
364 HB2 HIS 50 2HB HIS 50 -5.043 6.651 9.136
365 HB3 HIS 50 3HB HIS 50 -3.730 7.696 9.671
366 HD1 HIS 50 HD1 HIS 50 -5.186 6.306 6.443
367 HD2 HIS 50 HD2 HIS 50 -2.863 9.508 7.758
368 HE1 HIS 50 HE1 HIS 50 -4.854 7.821 4.440
369 H GLY 51 H GLY 51 -1.756 6.319 6.772
370 HA2 GLY 51 2HA GLY 51 0.374 7.208 6.312
371 HA3 GLY 51 3HA GLY 51 0.401 7.824 7.966
372 H ARG 52 H ARG 52 0.610 5.956 9.651
373 HA ARG 52 HA ARG 52 3.132 4.708 9.320
374 HB2 ARG 52 2HB ARG 52 0.891 3.977 11.239
375 HB3 ARG 52 3HB ARG 52 2.570 3.458 11.393
376 HG2 ARG 52 2HG ARG 52 3.239 5.887 11.418
377 HG3 ARG 52 3HG ARG 52 1.533 6.296 11.480
378 HD2 ARG 52 2HD ARG 52 2.965 4.569 13.518
379 HD3 ARG 52 3HD ARG 52 2.670 6.286 13.725
380 HE ARG 52 HE ARG 52 0.813 4.202 14.317
381 HH11 ARG 52 1HH2 ARG 52 0.817 7.252 12.629
382 HH12 ARG 52 2HH2 ARG 52 -0.673 7.767 13.333
383 HH21 ARG 52 1HH1 ARG 52 -1.057 4.973 15.326
384 HH22 ARG 52 2HH1 ARG 52 -1.708 6.512 14.863
385 H LEU 53 H LEU 53 0.421 3.945 7.650
386 HA LEU 53 HA LEU 53 0.203 1.130 7.795
387 HB2 LEU 53 2HB LEU 53 -1.374 2.554 6.549
388 HB3 LEU 53 3HB LEU 53 -0.104 2.990 5.415
389 HG LEU 53 HG LEU 53 0.046 0.648 4.660
390 HD11 LEU 53 1HD1 LEU 53 -1.927 -0.867 5.452
391 HD12 LEU 53 2HD1 LEU 53 -1.992 0.210 6.851
392 HD13 LEU 53 3HD1 LEU 53 -0.523 -0.702 6.501
393 HD21 LEU 53 3HD2 LEU 53 -2.807 1.672 4.712
394 HD22 LEU 53 1HD2 LEU 53 -2.118 0.575 3.517
395 HD23 LEU 53 2HD2 LEU 53 -1.556 2.245 3.608
396 H SER 54 H SER 54 2.392 3.215 5.931
397 HA SER 54 HA SER 54 3.699 1.146 4.452
398 HB2 SER 54 2HB SER 54 3.988 3.567 3.972
399 HB3 SER 54 3HB SER 54 4.867 3.754 5.487
400 HG SER 54 HG SER 54 5.817 1.696 3.991
401 H GLN 55 H GLN 55 4.355 2.532 7.671
402 HA GLN 55 HA GLN 55 6.703 0.897 8.138
403 HB2 GLN 55 2HB GLN 55 4.884 2.277 10.144
404 HB3 GLN 55 3HB GLN 55 6.505 1.662 10.470
405 HG2 GLN 55 2HG GLN 55 5.870 3.790 8.407
406 HG3 GLN 55 3HG GLN 55 6.468 4.129 10.031
407 HE21 GLN 55 1HE2 GLN 55 7.585 3.994 6.962
408 HE22 GLN 55 2HE2 GLN 55 9.161 3.425 7.231
409 H MET 56 H MET 56 3.248 0.443 8.665
410 HA MET 56 HA MET 56 3.420 -1.754 10.491
411 HB2 MET 56 2HB MET 56 1.335 -0.925 8.453
412 HB3 MET 56 3HB MET 56 1.109 -2.334 9.487
413 HG2 MET 56 2HG MET 56 1.734 0.423 10.583
414 HG3 MET 56 3HG MET 56 0.091 -0.171 10.369
415 HE1 MET 56 3HE MET 56 -1.131 -1.356 12.451
416 HE2 MET 56 1HE MET 56 -0.418 -2.943 12.776
417 HE3 MET 56 2HE MET 56 -0.658 -2.401 11.115
418 H VAL 57 H VAL 57 3.363 -1.667 6.928
419 HA VAL 57 HA VAL 57 3.509 -4.560 6.668
420 HB VAL 57 HB VAL 57 4.072 -4.018 4.264
421 HG11 VAL 57 1HG1 VAL 57 1.684 -2.594 5.480
422 HG12 VAL 57 2HG1 VAL 57 1.739 -4.285 4.989
423 HG13 VAL 57 3HG1 VAL 57 1.856 -3.012 3.775
424 HG21 VAL 57 3HG2 VAL 57 4.022 -1.708 3.539
425 HG22 VAL 57 1HG2 VAL 57 5.233 -1.853 4.809
426 HG23 VAL 57 2HG2 VAL 57 3.656 -1.158 5.170
427 H LYS 58 H LYS 58 5.812 -2.024 7.166
428 HA LYS 58 HA LYS 58 8.151 -3.246 6.093
429 HB2 LYS 58 2HB LYS 58 7.976 -0.868 6.882
430 HB3 LYS 58 3HB LYS 58 7.972 -1.464 8.540
431 HG2 LYS 58 2HG LYS 58 10.183 -2.484 8.204
432 HG3 LYS 58 3HG LYS 58 10.186 -1.944 6.524
433 HD2 LYS 58 2HD LYS 58 10.056 0.404 7.284
434 HD3 LYS 58 3HD LYS 58 10.073 -0.144 8.962
435 HE2 LYS 58 2HE LYS 58 12.333 0.515 8.291
436 HE3 LYS 58 3HE LYS 58 12.274 -1.229 8.559
437 HZ1 LYS 58 3HZ LYS 58 11.997 0.086 5.913
438 HZ2 LYS 58 1HZ LYS 58 12.056 -1.584 6.209
439 HZ3 LYS 58 2HZ LYS 58 13.427 -0.621 6.497
440 H LYS 59 H LYS 59 6.582 -3.590 9.275
441 HA LYS 59 HA LYS 59 8.643 -5.592 10.102
442 HB2 LYS 59 2HB LYS 59 7.353 -5.461 12.313
443 HB3 LYS 59 3HB LYS 59 8.218 -4.004 11.826
444 HG2 LYS 59 2HG LYS 59 6.192 -2.989 10.988
445 HG3 LYS 59 3HG LYS 59 5.284 -4.481 11.236
446 HD2 LYS 59 2HD LYS 59 5.656 -4.325 13.659
447 HD3 LYS 59 3HD LYS 59 6.602 -2.855 13.430
448 HE2 LYS 59 2HE LYS 59 3.720 -3.107 12.519
449 HE3 LYS 59 3HE LYS 59 4.175 -2.489 14.107
450 HZ1 LYS 59 3HZ LYS 59 5.024 -1.375 11.488
451 HZ2 LYS 59 1HZ LYS 59 5.531 -0.800 13.001
452 HZ3 LYS 59 2HZ LYS 59 3.896 -0.685 12.555
453 H LEU 60 H LEU 60 7.308 -6.696 8.104
454 HA LEU 60 HA LEU 60 5.652 -8.770 9.425
455 HB2 LEU 60 2HB LEU 60 4.649 -6.753 7.486
456 HB3 LEU 60 3HB LEU 60 4.221 -8.402 7.050
457 HG LEU 60 HG LEU 60 3.733 -7.373 9.868
458 HD11 LEU 60 1HD1 LEU 60 1.358 -6.916 9.072
459 HD12 LEU 60 2HD1 LEU 60 1.969 -7.037 7.420
460 HD13 LEU 60 3HD1 LEU 60 2.570 -5.774 8.493
461 HD21 LEU 60 3HD2 LEU 60 3.564 -9.841 9.368
462 HD22 LEU 60 1HD2 LEU 60 2.325 -9.472 8.166
463 HD23 LEU 60 2HD2 LEU 60 2.022 -9.140 9.869
464 H ASP 61 H ASP 61 8.082 -7.877 7.313
465 HA ASP 61 HA ASP 61 9.444 -9.079 5.862
466 HB2 ASP 61 2HB ASP 61 9.245 -10.761 7.794
467 HB3 ASP 61 3HB ASP 61 8.032 -11.592 6.820
468 H PHE 62 H PHE 62 9.117 -11.108 4.146
469 HA PHE 62 HA PHE 62 8.335 -11.398 1.956
470 HB2 PHE 62 2HB PHE 62 6.208 -12.487 1.854
471 HB3 PHE 62 3HB PHE 62 6.883 -12.884 3.429
472 HD1 PHE 62 HD1 PHE 62 5.993 -11.832 5.488
473 HD2 PHE 62 HD2 PHE 62 4.231 -11.070 1.645
474 HE1 PHE 62 HE1 PHE 62 3.967 -10.895 6.588
475 HE2 PHE 62 HE2 PHE 62 2.230 -10.123 2.746
476 HZ PHE 62 HZ PHE 62 2.100 -10.035 5.217
477 H LEU 63 H LEU 63 8.150 -8.565 3.079
478 HA LEU 63 HA LEU 63 6.453 -7.445 0.898
479 HB2 LEU 63 2HB LEU 63 6.152 -6.933 3.864
480 HB3 LEU 63 3HB LEU 63 5.751 -5.644 2.732
481 HG LEU 63 HG LEU 63 4.562 -8.406 2.301
482 HD11 LEU 63 1HD1 LEU 63 3.484 -6.323 4.223
483 HD12 LEU 63 2HD1 LEU 63 4.085 -7.922 4.660
484 HD13 LEU 63 3HD1 LEU 63 2.619 -7.762 3.691
485 HD21 LEU 63 3HD2 LEU 63 3.448 -5.609 1.856
486 HD22 LEU 63 1HD2 LEU 63 2.762 -7.127 1.269
487 HD23 LEU 63 2HD2 LEU 63 4.293 -6.537 0.614
488 H THR 64 H THR 64 7.460 -5.837 -0.133
489 HA THR 64 HA THR 64 10.021 -4.751 0.991
490 HB THR 64 HB THR 64 8.887 -4.682 -1.827
491 HG1 THR 64 HG1 THR 64 11.198 -6.052 -1.089
492 HG21 THR 64 3HG2 THR 64 11.285 -4.023 -2.374
493 HG22 THR 64 1HG2 THR 64 11.508 -3.727 -0.651
494 HG23 THR 64 2HG2 THR 64 10.325 -2.787 -1.562
495 H VAL 65 H VAL 65 10.130 -2.598 1.531
496 HA VAL 65 HA VAL 65 7.736 -0.853 0.946
497 HB VAL 65 HB VAL 65 9.672 -0.746 3.281
498 HG11 VAL 65 1HG1 VAL 65 8.827 1.470 2.777
499 HG12 VAL 65 2HG1 VAL 65 7.942 0.868 4.175
500 HG13 VAL 65 3HG1 VAL 65 7.187 0.853 2.581
501 HG21 VAL 65 3HG2 VAL 65 6.817 -1.746 3.030
502 HG22 VAL 65 1HG2 VAL 65 7.619 -1.448 4.573
503 HG23 VAL 65 2HG2 VAL 65 8.239 -2.686 3.483
504 H GLN 66 H GLN 66 8.138 0.980 -0.172
505 HA GLN 66 HA GLN 66 10.926 2.080 -0.279
506 HB2 GLN 66 2HB GLN 66 9.142 1.462 -2.658
507 HB3 GLN 66 3HB GLN 66 10.588 2.469 -2.745
508 HG2 GLN 66 2HG GLN 66 11.957 0.590 -1.925
509 HG3 GLN 66 3HG GLN 66 10.513 -0.417 -1.824
510 HE21 GLN 66 1HE2 GLN 66 12.166 -1.637 -3.457
511 HE22 GLN 66 2HE2 GLN 66 11.883 -1.310 -5.097
512 H GLU 67 H GLU 67 10.977 4.315 -0.622
513 HA GLU 67 HA GLU 67 8.385 5.781 -0.775
514 HB2 GLU 67 2HB GLU 67 10.488 6.105 1.392
515 HB3 GLU 67 3HB GLU 67 9.244 7.309 1.066
516 HG2 GLU 67 2HG GLU 67 7.489 5.646 1.509
517 HG3 GLU 67 3HG GLU 67 8.714 4.411 1.783
518 H SER 68 H SER 68 8.514 7.553 -1.979
519 HA SER 68 HA SER 68 11.210 8.643 -2.738
520 HB2 SER 68 2HB SER 68 10.323 8.950 -5.049
521 HB3 SER 68 3HB SER 68 10.486 7.251 -4.616
522 HG SER 68 HG SER 68 8.273 8.674 -5.267
523 H ARG 69 H ARG 69 11.130 10.855 -3.237
524 HA ARG 69 HA ARG 69 8.961 12.317 -1.866
525 HB2 ARG 69 2HB ARG 69 11.579 13.184 -3.120
526 HB3 ARG 69 3HB ARG 69 10.441 14.281 -2.346
527 HG2 ARG 69 2HG ARG 69 10.695 13.166 -0.235
528 HG3 ARG 69 3HG ARG 69 11.754 11.936 -0.931
529 HD2 ARG 69 2HD ARG 69 13.464 13.580 -1.443
530 HD3 ARG 69 3HD ARG 69 12.381 14.911 -1.124
531 HE ARG 69 HE ARG 69 14.129 14.433 0.685
532 HH11 ARG 69 1HH2 ARG 69 11.422 12.412 1.160
533 HH12 ARG 69 2HH2 ARG 69 10.957 13.161 2.645
534 HH21 ARG 69 1HH1 ARG 69 13.498 15.513 2.563
535 HH22 ARG 69 2HH1 ARG 69 12.112 14.931 3.433
536 H ASN 70 H ASN 70 7.316 13.353 -2.995
537 HA ASN 70 HA ASN 70 7.753 14.206 -5.807
538 HB2 ASN 70 2HB ASN 70 5.680 13.062 -6.567
539 HB3 ASN 70 3HB ASN 70 6.918 11.910 -6.060
540 HD21 ASN 70 1HD2 ASN 70 3.652 12.560 -5.715
541 HD22 ASN 70 2HD2 ASN 70 3.380 11.796 -4.224
542 H GLY 71 H GLY 71 7.095 16.318 -5.701
543 HA2 GLY 71 2HA GLY 71 5.699 18.170 -5.309
544 HA3 GLY 71 3HA GLY 71 4.392 17.025 -5.014
545 H SER 72 H SER 72 3.530 17.774 -3.111
546 HA SER 72 HA SER 72 5.321 18.536 -0.860
547 HB2 SER 72 2HB SER 72 3.290 19.339 0.203
548 HB3 SER 72 3HB SER 72 3.343 19.939 -1.452
549 HG SER 72 HG SER 72 1.792 18.534 -2.020
550 H LYS 73 H LYS 73 4.027 15.683 -2.009
551 HA LYS 73 HA LYS 73 4.047 14.463 0.749
552 HB2 LYS 73 2HB LYS 73 2.032 13.969 -1.466
553 HB3 LYS 73 3HB LYS 73 2.182 12.972 -0.018
554 HG2 LYS 73 2HG LYS 73 1.730 14.939 1.396
555 HG3 LYS 73 3HG LYS 73 1.589 15.946 -0.044
556 HD2 LYS 73 2HD LYS 73 -0.298 14.539 -0.827
557 HD3 LYS 73 3HD LYS 73 -0.177 13.579 0.647
558 HE2 LYS 73 2HE LYS 73 -0.661 16.574 0.613
559 HE3 LYS 73 3HE LYS 73 -1.939 15.366 0.764
560 HZ1 LYS 73 3HZ LYS 73 -1.383 15.970 2.941
561 HZ2 LYS 73 1HZ LYS 73 0.283 15.918 2.634
562 HZ3 LYS 73 2HZ LYS 73 -0.611 14.476 2.699
563 H LEU 74 H LEU 74 5.129 12.533 0.856
564 HA LEU 74 HA LEU 74 6.744 11.748 -1.440
565 HB2 LEU 74 2HB LEU 74 7.684 10.060 0.035
566 HB3 LEU 74 3HB LEU 74 7.573 11.593 0.892
567 HG LEU 74 HG LEU 74 5.110 10.470 1.537
568 HD11 LEU 74 1HD1 LEU 74 7.099 8.177 1.589
569 HD12 LEU 74 2HD1 LEU 74 5.817 8.320 0.394
570 HD13 LEU 74 3HD1 LEU 74 5.415 8.132 2.098
571 HD21 LEU 74 3HD2 LEU 74 7.740 10.095 3.020
572 HD22 LEU 74 1HD2 LEU 74 6.139 9.890 3.730
573 HD23 LEU 74 2HD2 LEU 74 6.654 11.478 3.162
574 H HIS 75 H HIS 75 6.612 9.745 -2.563
575 HA HIS 75 HA HIS 75 3.849 8.588 -2.653
576 HB2 HIS 75 2HB HIS 75 4.831 9.443 -4.771
577 HB3 HIS 75 3HB HIS 75 6.172 8.315 -4.588
578 HD1 HIS 75 HD1 HIS 75 5.000 7.571 -7.035
579 HD2 HIS 75 HD2 HIS 75 3.058 6.470 -3.515
580 HE1 HIS 75 HE1 HIS 75 3.439 5.671 -7.643
581 H SER 76 H SER 76 3.826 7.028 -1.054
582 HA SER 76 HA SER 76 6.101 5.189 -0.689
583 HB2 SER 76 2HB SER 76 4.511 4.119 0.985
584 HB3 SER 76 3HB SER 76 4.907 5.803 1.306
585 HG SER 76 HG SER 76 2.897 6.296 1.013
586 H GLU 77 H GLU 77 5.971 2.910 -1.102
587 HA GLU 77 HA GLU 77 3.653 1.896 -2.672
588 HB2 GLU 77 2HB GLU 77 6.514 1.754 -3.703
589 HB3 GLU 77 3HB GLU 77 5.110 0.985 -4.434
590 HG2 GLU 77 2HG GLU 77 5.311 2.962 -5.710
591 HG3 GLU 77 3HG GLU 77 4.101 3.412 -4.515
592 H ILE 78 H ILE 78 3.590 -0.418 -2.680
593 HA ILE 78 HA ILE 78 5.527 -1.806 -0.852
594 HB ILE 78 HB ILE 78 3.586 -3.041 0.106
595 HG12 ILE 78 2HG1 ILE 78 1.896 -0.917 -1.261
596 HG13 ILE 78 3HG1 ILE 78 2.041 -2.565 -1.860
597 HG21 ILE 78 1HG2 ILE 78 4.550 -1.092 1.272
598 HG22 ILE 78 2HG2 ILE 78 2.809 -1.184 1.537
599 HG23 ILE 78 3HG2 ILE 78 3.464 -0.021 0.385
600 HD11 ILE 78 3HD1 ILE 78 0.949 -1.703 0.831
601 HD12 ILE 78 1HD1 ILE 78 1.240 -3.382 0.378
602 HD13 ILE 78 2HD1 ILE 78 0.043 -2.429 -0.496
603 H ARG 79 H ARG 79 5.824 -4.020 -1.307
604 HA ARG 79 HA ARG 79 4.402 -5.250 -3.591
605 HB2 ARG 79 2HB ARG 79 6.275 -3.967 -4.636
606 HB3 ARG 79 3HB ARG 79 7.416 -4.891 -3.661
607 HG2 ARG 79 2HG ARG 79 6.678 -6.974 -4.692
608 HG3 ARG 79 3HG ARG 79 5.425 -6.123 -5.586
609 HD2 ARG 79 2HD ARG 79 7.371 -4.744 -6.604
610 HD3 ARG 79 3HD ARG 79 8.423 -6.000 -5.947
611 HE ARG 79 HE ARG 79 6.218 -7.089 -7.523
612 HH11 ARG 79 1HH2 ARG 79 9.376 -5.700 -7.533
613 HH12 ARG 79 2HH2 ARG 79 9.792 -6.316 -9.098
614 HH21 ARG 79 1HH1 ARG 79 6.726 -7.861 -9.604
615 HH22 ARG 79 2HH1 ARG 79 8.293 -7.535 -10.269
616 H LEU 80 H LEU 80 4.764 -7.529 -3.686
617 HA LEU 80 HA LEU 80 5.079 -8.785 -1.135
618 HB2 LEU 80 2HB LEU 80 5.338 -10.088 -3.864
619 HB3 LEU 80 3HB LEU 80 4.904 -10.875 -2.347
620 HG LEU 80 HG LEU 80 3.278 -8.727 -3.744
621 HD11 LEU 80 1HD1 LEU 80 2.869 -11.718 -3.455
622 HD12 LEU 80 2HD1 LEU 80 3.281 -10.868 -4.943
623 HD13 LEU 80 3HD1 LEU 80 1.712 -10.605 -4.182
624 HD21 LEU 80 3HD2 LEU 80 1.522 -9.620 -2.019
625 HD22 LEU 80 1HD2 LEU 80 2.761 -8.518 -1.432
626 HD23 LEU 80 2HD2 LEU 80 2.916 -10.250 -1.140
627 H ARG 81 H ARG 81 6.763 -10.174 -0.418
628 HA ARG 81 HA ARG 81 8.948 -11.065 -0.291
629 HB2 ARG 81 2HB ARG 81 8.901 -10.715 -2.943
630 HB3 ARG 81 3HB ARG 81 9.979 -9.388 -2.570
631 HG2 ARG 81 2HG ARG 81 11.551 -11.115 -2.833
632 HG3 ARG 81 3HG ARG 81 11.247 -11.242 -1.100
633 HD2 ARG 81 2HD ARG 81 11.179 -13.445 -2.319
634 HD3 ARG 81 3HD ARG 81 9.696 -13.065 -1.437
635 HE ARG 81 HE ARG 81 9.351 -12.087 -4.063
636 HH11 ARG 81 1HH2 ARG 81 9.941 -15.098 -2.465
637 HH12 ARG 81 2HH2 ARG 81 9.019 -16.022 -3.601
638 HH21 ARG 81 1HH1 ARG 81 8.123 -13.286 -5.530
639 HH22 ARG 81 2HH1 ARG 81 7.992 -15.002 -5.330
640 H HIS 82 H HIS 82 10.981 -10.225 0.587
641 HA HIS 82 HA HIS 82 10.620 -7.582 1.832
642 HB2 HIS 82 2HB HIS 82 12.840 -8.168 2.898
643 HB3 HIS 82 3HB HIS 82 11.557 -9.343 3.195
644 HD1 HIS 82 HD1 HIS 82 14.764 -8.877 1.307
645 HD2 HIS 82 HD2 HIS 82 11.889 -11.844 1.860
646 HE1 HIS 82 HE1 HIS 82 15.741 -11.006 0.346
647 H ASP 83 H ASP 83 12.514 -9.028 -0.765
648 HA ASP 83 HA ASP 83 13.166 -6.411 -1.851
649 HB2 ASP 83 2HB ASP 83 14.847 -6.599 -0.014
650 HB3 ASP 83 3HB ASP 83 15.441 -8.089 -0.746
651 H GLY 84 H GLY 84 14.375 -9.791 -1.793
652 HA2 GLY 84 2HA GLY 84 14.172 -11.381 -3.574
653 HA3 GLY 84 3HA GLY 84 13.686 -10.086 -4.671
654 H LEU 85 H LEU 85 15.991 -8.387 -3.735
655 HA LEU 85 HA LEU 85 17.977 -9.408 -5.632
656 HB2 LEU 85 2HB LEU 85 17.732 -6.947 -3.901
657 HB3 LEU 85 3HB LEU 85 19.257 -7.296 -4.712
658 HG LEU 85 HG LEU 85 17.754 -5.754 -6.013
659 HD11 LEU 85 1HD1 LEU 85 17.904 -8.262 -7.683
660 HD12 LEU 85 2HD1 LEU 85 19.413 -7.596 -7.047
661 HD13 LEU 85 3HD1 LEU 85 18.377 -6.607 -8.073
662 HD21 LEU 85 3HD2 LEU 85 15.688 -6.526 -6.964
663 HD22 LEU 85 1HD2 LEU 85 15.621 -6.922 -5.246
664 HD23 LEU 85 2HD2 LEU 85 15.983 -8.180 -6.427
665 H GLU 86 H GLU 86 20.049 -10.163 -5.143
666 HA GLU 86 HA GLU 86 21.655 -11.323 -3.909
667 HB2 GLU 86 2HB GLU 86 21.859 -9.002 -2.891
668 HB3 GLU 86 3HB GLU 86 20.802 -9.558 -1.597
669 HG2 GLU 86 2HG GLU 86 23.059 -9.841 -0.818
670 HG3 GLU 86 3HG GLU 86 22.450 -11.454 -1.198
671 H HIS 87 H HIS 87 21.131 -13.393 -3.541
672 HA HIS 87 HA HIS 87 19.707 -14.114 -1.052
673 HB2 HIS 87 2HB HIS 87 18.133 -15.603 -2.238
674 HB3 HIS 87 3HB HIS 87 17.885 -13.920 -2.703
675 HD1 HIS 87 HD1 HIS 87 18.793 -17.231 -4.070
676 HD2 HIS 87 HD2 HIS 87 18.976 -13.265 -5.337
677 HE1 HIS 87 HE1 HIS 87 19.215 -17.296 -6.567
678 H HIS 88 H HIS 88 19.868 -16.529 -0.705
679 HA HIS 88 HA HIS 88 21.273 -18.396 -0.485
680 HB2 HIS 88 2HB HIS 88 21.663 -17.906 -3.455
681 HB3 HIS 88 3HB HIS 88 21.995 -19.413 -2.603
682 HD1 HIS 88 HD1 HIS 88 19.958 -19.618 -4.798
683 HD2 HIS 88 HD2 HIS 88 18.896 -18.553 -0.910
684 HE1 HIS 88 HE1 HIS 88 17.490 -20.140 -4.560
685 H HIS 89 H HIS 89 23.674 -19.006 -1.917
686 HA HIS 89 HA HIS 89 25.975 -18.627 -1.659
687 HB2 HIS 89 2HB HIS 89 25.049 -15.802 -2.276
688 HB3 HIS 89 3HB HIS 89 26.724 -16.350 -2.335
689 HD1 HIS 89 HD1 HIS 89 27.224 -18.346 -4.084
690 HD2 HIS 89 HD2 HIS 89 23.588 -16.368 -4.584
691 HE1 HIS 89 HE1 HIS 89 26.389 -18.955 -6.398
692 H HIS 90 H HIS 90 25.982 -19.130 0.608
693 HA HIS 90 HA HIS 90 25.572 -17.046 2.612
694 HB2 HIS 90 2HB HIS 90 26.804 -19.811 2.808
695 HB3 HIS 90 3HB HIS 90 26.443 -18.773 4.188
696 HD1 HIS 90 HD1 HIS 90 24.854 -21.017 1.682
697 HD2 HIS 90 HD2 HIS 90 23.618 -18.378 4.660
698 HE1 HIS 90 HE1 HIS 90 22.389 -21.468 2.060
699 H HIS 91 H HIS 91 27.228 -16.089 3.914
700 HA HIS 91 HA HIS 91 30.066 -16.459 3.083
701 HB2 HIS 91 2HB HIS 91 30.376 -14.026 2.804
702 HB3 HIS 91 3HB HIS 91 29.218 -14.651 1.630
703 HD1 HIS 91 HD1 HIS 91 26.608 -14.336 2.337
704 HD2 HIS 91 HD2 HIS 91 29.366 -11.986 4.397
705 HE1 HIS 91 HE1 HIS 91 25.287 -12.463 3.420
706 H HIS 92 H HIS 92 28.081 -16.672 5.508
707 HA HIS 92 HA HIS 92 28.191 -16.316 7.825
708 HB2 HIS 92 2HB HIS 92 31.153 -16.131 7.178
709 HB3 HIS 92 3HB HIS 92 30.467 -16.406 8.780
710 HD1 HIS 92 HD1 HIS 92 31.036 -18.079 5.473
711 HD2 HIS 92 HD2 HIS 92 29.389 -19.020 9.185
712 HE1 HIS 92 HE1 HIS 92 30.679 -20.588 5.483
Start of MODEL 18
1 H1 MET 1 1H MET 1 -12.796 -2.181 16.571
2 H2 MET 1 2H MET 1 -13.911 -2.206 15.288
3 H3 MET 1 3H MET 1 -13.478 -0.733 16.014
4 HA MET 1 HA MET 1 -12.410 -1.558 13.748
5 HB2 MET 1 2HB MET 1 -10.400 -0.138 14.416
6 HB3 MET 1 3HB MET 1 -11.972 0.626 14.644
7 HG2 MET 1 2HG MET 1 -11.951 0.073 17.017
8 HG3 MET 1 3HG MET 1 -10.446 -0.823 16.826
9 HE1 MET 1 3HE MET 1 -9.229 2.177 18.853
10 HE2 MET 1 1HE MET 1 -8.906 0.474 18.500
11 HE3 MET 1 2HE MET 1 -10.517 0.984 18.995
12 HA PRO 2 HA PRO 2 -10.036 -5.007 16.021
13 HB2 PRO 2 2HB PRO 2 -11.106 -7.157 14.656
14 HB3 PRO 2 3HB PRO 2 -11.831 -6.493 16.137
15 HG2 PRO 2 2HG PRO 2 -12.569 -5.942 13.275
16 HG3 PRO 2 3HG PRO 2 -13.630 -6.320 14.650
17 HD2 PRO 2 2HD PRO 2 -13.286 -3.765 13.833
18 HD3 PRO 2 3HD PRO 2 -13.436 -4.155 15.563
19 H HIS 3 H HIS 3 -8.329 -6.317 15.050
20 HA HIS 3 HA HIS 3 -7.039 -5.115 12.817
21 HB2 HIS 3 2HB HIS 3 -6.687 -7.854 14.075
22 HB3 HIS 3 3HB HIS 3 -5.602 -7.199 12.848
23 HD1 HIS 3 HD1 HIS 3 -6.820 -6.480 16.369
24 HD2 HIS 3 HD2 HIS 3 -3.709 -5.395 13.817
25 HE1 HIS 3 HE1 HIS 3 -5.201 -5.113 17.755
26 H LYS 4 H LYS 4 -9.196 -7.921 13.006
27 HA LYS 4 HA LYS 4 -10.211 -9.197 11.329
28 HB2 LYS 4 2HB LYS 4 -11.083 -6.907 10.751
29 HB3 LYS 4 3HB LYS 4 -9.751 -6.742 9.612
30 HG2 LYS 4 2HG LYS 4 -10.503 -8.672 8.349
31 HG3 LYS 4 3HG LYS 4 -11.777 -8.999 9.521
32 HD2 LYS 4 2HD LYS 4 -11.701 -6.288 8.170
33 HD3 LYS 4 3HD LYS 4 -12.331 -7.667 7.275
34 HE2 LYS 4 2HE LYS 4 -13.338 -6.800 10.004
35 HE3 LYS 4 3HE LYS 4 -14.118 -6.413 8.471
36 HZ1 LYS 4 3HZ LYS 4 -13.884 -9.015 8.182
37 HZ2 LYS 4 1HZ LYS 4 -15.217 -8.312 8.956
38 HZ3 LYS 4 2HZ LYS 4 -13.951 -8.964 9.879
39 H GLU 5 H GLU 5 -8.986 -10.877 10.668
40 HA GLU 5 HA GLU 5 -7.164 -10.529 8.356
41 HB2 GLU 5 2HB GLU 5 -5.371 -11.841 9.529
42 HB3 GLU 5 3HB GLU 5 -5.635 -10.244 10.227
43 HG2 GLU 5 2HG GLU 5 -7.083 -11.261 11.970
44 HG3 GLU 5 3HG GLU 5 -6.763 -12.854 11.287
45 H LYS 6 H LYS 6 -9.668 -11.722 8.406
46 HA LYS 6 HA LYS 6 -9.672 -14.526 8.958
47 HB2 LYS 6 2HB LYS 6 -11.247 -12.884 6.953
48 HB3 LYS 6 3HB LYS 6 -11.598 -14.570 7.333
49 HG2 LYS 6 2HG LYS 6 -11.955 -13.975 9.698
50 HG3 LYS 6 3HG LYS 6 -11.584 -12.289 9.335
51 HD2 LYS 6 2HD LYS 6 -13.495 -12.199 7.772
52 HD3 LYS 6 3HD LYS 6 -13.871 -13.883 8.136
53 HE2 LYS 6 2HE LYS 6 -14.257 -13.303 10.497
54 HE3 LYS 6 3HE LYS 6 -13.858 -11.619 10.155
55 HZ1 LYS 6 3HZ LYS 6 -16.275 -13.098 9.572
56 HZ2 LYS 6 1HZ LYS 6 -15.723 -12.124 8.298
57 HZ3 LYS 6 2HZ LYS 6 -16.050 -11.430 9.813
58 H HIS 7 H HIS 7 -8.923 -12.708 5.986
59 HA HIS 7 HA HIS 7 -8.053 -15.221 4.640
60 HB2 HIS 7 2HB HIS 7 -8.549 -12.395 3.660
61 HB3 HIS 7 3HB HIS 7 -7.849 -13.651 2.640
62 HD1 HIS 7 HD1 HIS 7 -10.909 -13.353 4.925
63 HD2 HIS 7 HD2 HIS 7 -9.802 -15.020 1.267
64 HE1 HIS 7 HE1 HIS 7 -12.987 -14.450 3.979
65 HA PRO 8 HA PRO 8 -3.682 -14.600 5.361
66 HB2 PRO 8 2HB PRO 8 -3.259 -14.605 2.380
67 HB3 PRO 8 3HB PRO 8 -2.464 -15.585 3.630
68 HG2 PRO 8 2HG PRO 8 -4.421 -16.550 1.979
69 HG3 PRO 8 3HG PRO 8 -4.113 -17.184 3.603
70 HD2 PRO 8 2HD PRO 8 -6.419 -15.579 2.656
71 HD3 PRO 8 3HD PRO 8 -6.251 -16.557 4.131
72 H LEU 9 H LEU 9 -2.391 -12.783 5.605
73 HA LEU 9 HA LEU 9 -3.358 -10.213 4.781
74 HB2 LEU 9 2HB LEU 9 -0.741 -11.212 5.933
75 HB3 LEU 9 3HB LEU 9 -0.907 -9.525 5.452
76 HG LEU 9 HG LEU 9 -2.824 -9.261 6.972
77 HD11 LEU 9 1HD1 LEU 9 -3.255 -11.174 8.614
78 HD12 LEU 9 2HD1 LEU 9 -2.335 -12.205 7.516
79 HD13 LEU 9 3HD1 LEU 9 -3.824 -11.434 6.969
80 HD21 LEU 9 3HD2 LEU 9 -0.554 -8.848 7.835
81 HD22 LEU 9 1HD2 LEU 9 -0.403 -10.547 8.280
82 HD23 LEU 9 2HD2 LEU 9 -1.578 -9.522 9.103
83 H GLN 10 H GLN 10 -0.808 -12.334 3.498
84 HA GLN 10 HA GLN 10 0.223 -10.579 1.521
85 HB2 GLN 10 2HB GLN 10 1.233 -12.782 2.134
86 HB3 GLN 10 3HB GLN 10 -0.099 -13.593 1.311
87 HG2 GLN 10 2HG GLN 10 0.542 -12.590 -0.816
88 HG3 GLN 10 3HG GLN 10 1.785 -11.627 -0.020
89 HE21 GLN 10 1HE2 GLN 10 2.383 -13.517 -2.133
90 HE22 GLN 10 2HE2 GLN 10 3.336 -14.753 -1.463
91 H ASP 11 H ASP 11 -2.590 -12.741 1.462
92 HA ASP 11 HA ASP 11 -3.207 -12.406 -1.308
93 HB2 ASP 11 2HB ASP 11 -4.238 -14.145 0.134
94 HB3 ASP 11 3HB ASP 11 -5.105 -12.886 1.013
95 H MET 12 H MET 12 -4.190 -10.562 1.585
96 HA MET 12 HA MET 12 -5.989 -8.785 0.238
97 HB2 MET 12 2HB MET 12 -4.336 -8.534 2.770
98 HB3 MET 12 3HB MET 12 -5.416 -7.247 2.236
99 HG2 MET 12 2HG MET 12 -6.345 -10.099 2.633
100 HG3 MET 12 3HG MET 12 -6.417 -8.889 3.907
101 HE1 MET 12 3HE MET 12 -8.488 -7.697 4.366
102 HE2 MET 12 1HE MET 12 -9.255 -6.658 3.158
103 HE3 MET 12 2HE MET 12 -7.536 -6.490 3.505
104 H PHE 13 H PHE 13 -2.514 -8.430 1.036
105 HA PHE 13 HA PHE 13 -2.296 -5.861 -0.294
106 HB2 PHE 13 2HB PHE 13 -0.178 -7.862 0.557
107 HB3 PHE 13 3HB PHE 13 0.174 -6.258 -0.080
108 HD1 PHE 13 HD1 PHE 13 -1.133 -4.262 1.077
109 HD2 PHE 13 HD2 PHE 13 -0.401 -8.076 2.922
110 HE1 PHE 13 HE1 PHE 13 -1.463 -3.247 3.314
111 HE2 PHE 13 HE2 PHE 13 -0.735 -7.060 5.153
112 HZ PHE 13 HZ PHE 13 -1.266 -4.646 5.353
113 H THR 14 H THR 14 -1.447 -9.201 -1.247
114 HA THR 14 HA THR 14 -0.278 -8.528 -3.756
115 HB THR 14 HB THR 14 -1.771 -11.047 -2.947
116 HG1 THR 14 HG1 THR 14 0.962 -11.032 -3.092
117 HG21 THR 14 3HG2 THR 14 0.126 -10.451 -5.232
118 HG22 THR 14 1HG2 THR 14 -1.538 -11.026 -5.345
119 HG23 THR 14 2HG2 THR 14 -0.279 -12.085 -4.711
120 H SER 15 H SER 15 -3.607 -9.558 -2.986
121 HA SER 15 HA SER 15 -4.585 -9.304 -5.663
122 HB2 SER 15 2HB SER 15 -6.130 -9.044 -3.066
123 HB3 SER 15 3HB SER 15 -6.812 -9.388 -4.654
124 HG SER 15 HG SER 15 -4.745 -10.999 -3.649
125 H ALA 16 H ALA 16 -4.561 -7.018 -2.926
126 HA ALA 16 HA ALA 16 -6.021 -4.965 -4.331
127 HB1 ALA 16 3HB ALA 16 -5.852 -5.069 -1.864
128 HB2 ALA 16 1HB ALA 16 -5.313 -3.514 -2.491
129 HB3 ALA 16 2HB ALA 16 -4.131 -4.718 -1.977
130 H ILE 17 H ILE 17 -2.530 -5.371 -3.629
131 HA ILE 17 HA ILE 17 -1.698 -3.013 -5.016
132 HB ILE 17 HB ILE 17 -0.225 -5.594 -4.402
133 HG12 ILE 17 2HG1 ILE 17 -0.024 -2.862 -3.075
134 HG13 ILE 17 3HG1 ILE 17 -1.099 -4.131 -2.491
135 HG21 ILE 17 1HG2 ILE 17 1.843 -4.147 -4.734
136 HG22 ILE 17 2HG2 ILE 17 0.794 -2.955 -5.490
137 HG23 ILE 17 3HG2 ILE 17 0.979 -4.550 -6.211
138 HD11 ILE 17 3HD1 ILE 17 0.971 -4.245 -1.230
139 HD12 ILE 17 1HD1 ILE 17 1.921 -4.287 -2.714
140 HD13 ILE 17 2HD1 ILE 17 0.885 -5.651 -2.290
141 H GLU 18 H GLU 18 -1.968 -6.394 -6.098
142 HA GLU 18 HA GLU 18 -0.956 -5.915 -8.730
143 HB2 GLU 18 2HB GLU 18 -1.217 -8.159 -7.606
144 HB3 GLU 18 3HB GLU 18 -2.953 -8.036 -7.883
145 HG2 GLU 18 2HG GLU 18 -2.023 -9.344 -9.685
146 HG3 GLU 18 3HG GLU 18 -2.454 -7.771 -10.348
147 H ALA 19 H ALA 19 -4.183 -5.629 -7.324
148 HA ALA 19 HA ALA 19 -5.615 -5.384 -9.795
149 HB1 ALA 19 3HB ALA 19 -6.223 -4.246 -7.053
150 HB2 ALA 19 1HB ALA 19 -6.797 -5.783 -7.698
151 HB3 ALA 19 2HB ALA 19 -7.358 -4.265 -8.400
152 H VAL 20 H VAL 20 -3.999 -2.996 -7.721
153 HA VAL 20 HA VAL 20 -4.631 -0.824 -9.681
154 HB VAL 20 HB VAL 20 -3.940 0.719 -7.936
155 HG11 VAL 20 1HG1 VAL 20 -6.239 -0.109 -7.859
156 HG12 VAL 20 2HG1 VAL 20 -5.631 0.173 -6.228
157 HG13 VAL 20 3HG1 VAL 20 -5.727 -1.471 -6.861
158 HG21 VAL 20 3HG2 VAL 20 -2.103 -0.425 -6.912
159 HG22 VAL 20 1HG2 VAL 20 -3.121 -1.786 -6.463
160 HG23 VAL 20 2HG2 VAL 20 -3.327 -0.233 -5.660
161 H ALA 21 H ALA 21 -2.422 -3.081 -9.779
162 HA ALA 21 HA ALA 21 0.028 -1.441 -9.831
163 HB1 ALA 21 3HB ALA 21 -0.550 -4.341 -10.510
164 HB2 ALA 21 1HB ALA 21 0.291 -3.715 -9.092
165 HB3 ALA 21 2HB ALA 21 1.045 -3.605 -10.681
166 H ARG 22 H ARG 22 -2.502 -1.356 -11.737
167 HA ARG 22 HA ARG 22 -1.858 -1.981 -14.361
168 HB2 ARG 22 2HB ARG 22 -3.484 -0.415 -15.074
169 HB3 ARG 22 3HB ARG 22 -4.012 -0.877 -13.464
170 HG2 ARG 22 2HG ARG 22 -2.370 1.652 -13.974
171 HG3 ARG 22 3HG ARG 22 -4.122 1.629 -14.008
172 HD2 ARG 22 2HD ARG 22 -4.322 1.269 -11.725
173 HD3 ARG 22 3HD ARG 22 -2.800 0.431 -11.603
174 HE ARG 22 HE ARG 22 -1.961 2.972 -12.158
175 HH11 ARG 22 1HH2 ARG 22 -4.312 1.649 -9.980
176 HH12 ARG 22 2HH2 ARG 22 -3.886 2.693 -8.675
177 HH21 ARG 22 1HH1 ARG 22 -1.374 4.309 -10.358
178 HH22 ARG 22 2HH1 ARG 22 -2.267 4.168 -8.881
179 H ASP 23 H ASP 23 -0.703 -1.051 -16.009
180 HA ASP 23 HA ASP 23 1.082 0.077 -16.986
181 HB2 ASP 23 2HB ASP 23 -0.553 1.979 -16.620
182 HB3 ASP 23 3HB ASP 23 0.310 2.352 -15.130
183 H SER 24 H SER 24 1.493 -1.414 -14.378
184 HA SER 24 HA SER 24 3.209 -1.743 -12.814
185 HB2 SER 24 2HB SER 24 4.876 -0.192 -14.813
186 HB3 SER 24 3HB SER 24 5.441 -1.396 -13.657
187 HG SER 24 HG SER 24 4.151 -2.924 -14.785
188 H GLY 25 H GLY 25 5.484 0.045 -12.399
189 HA2 GLY 25 2HA GLY 25 6.050 2.062 -11.310
190 HA3 GLY 25 3HA GLY 25 4.454 2.691 -11.719
191 H TRP 26 H TRP 26 5.690 -0.012 -9.733
192 HA TRP 26 HA TRP 26 4.919 -0.816 -7.646
193 HB2 TRP 26 2HB TRP 26 5.116 2.167 -7.112
194 HB3 TRP 26 3HB TRP 26 5.139 0.901 -5.884
195 HD1 TRP 26 HD1 TRP 26 7.130 1.810 -9.085
196 HE1 TRP 26 HE1 TRP 26 9.598 1.195 -8.680
197 HE3 TRP 26 HE3 TRP 26 6.786 -0.178 -4.398
198 HZ2 TRP 26 HZ2 TRP 26 11.216 0.016 -6.637
199 HZ3 TRP 26 HZ3 TRP 26 8.802 -1.036 -3.244
200 HH2 TRP 26 HH2 TRP 26 11.016 -0.932 -4.352
201 H ALA 27 H ALA 27 3.354 1.188 -5.864
202 HA ALA 27 HA ALA 27 0.756 1.435 -7.198
203 HB1 ALA 27 3HB ALA 27 1.261 -0.647 -5.054
204 HB2 ALA 27 1HB ALA 27 0.518 -0.878 -6.637
205 HB3 ALA 27 2HB ALA 27 -0.351 -0.008 -5.373
206 H GLU 28 H GLU 28 -0.436 3.043 -6.178
207 HA GLU 28 HA GLU 28 0.876 4.586 -4.092
208 HB2 GLU 28 2HB GLU 28 -1.875 4.805 -5.356
209 HB3 GLU 28 3HB GLU 28 -1.231 5.963 -4.190
210 HG2 GLU 28 2HG GLU 28 0.640 6.475 -5.678
211 HG3 GLU 28 3HG GLU 28 0.096 5.251 -6.823
212 H LEU 29 H LEU 29 0.706 4.246 -1.942
213 HA LEU 29 HA LEU 29 -0.645 2.084 -0.782
214 HB2 LEU 29 2HB LEU 29 1.147 3.833 0.160
215 HB3 LEU 29 3HB LEU 29 -0.263 4.611 0.832
216 HG LEU 29 HG LEU 29 0.588 3.147 2.515
217 HD11 LEU 29 1HD1 LEU 29 -1.651 1.542 1.286
218 HD12 LEU 29 2HD1 LEU 29 -1.926 3.115 2.030
219 HD13 LEU 29 3HD1 LEU 29 -1.287 1.785 2.990
220 HD21 LEU 29 3HD2 LEU 29 1.462 1.033 2.201
221 HD22 LEU 29 1HD2 LEU 29 1.759 1.652 0.584
222 HD23 LEU 29 2HD2 LEU 29 0.361 0.631 0.891
223 H SER 30 H SER 30 -1.792 5.428 -1.241
224 HA SER 30 HA SER 30 -4.224 5.186 0.240
225 HB2 SER 30 2HB SER 30 -3.363 7.342 -0.635
226 HB3 SER 30 3HB SER 30 -3.693 6.795 -2.275
227 HG SER 30 HG SER 30 -5.469 7.447 -0.194
228 H ALA 31 H ALA 31 -3.465 4.492 -3.172
229 HA ALA 31 HA ALA 31 -6.122 3.692 -3.902
230 HB1 ALA 31 3HB ALA 31 -3.438 2.887 -5.062
231 HB2 ALA 31 1HB ALA 31 -4.467 4.208 -5.614
232 HB3 ALA 31 2HB ALA 31 -4.995 2.538 -5.811
233 H VAL 32 H VAL 32 -3.328 1.853 -2.646
234 HA VAL 32 HA VAL 32 -4.518 -0.734 -2.905
235 HB VAL 32 HB VAL 32 -2.465 0.302 -0.915
236 HG11 VAL 32 1HG1 VAL 32 -3.362 -1.767 -0.045
237 HG12 VAL 32 2HG1 VAL 32 -1.810 -2.144 -0.786
238 HG13 VAL 32 3HG1 VAL 32 -3.304 -2.518 -1.638
239 HG21 VAL 32 3HG2 VAL 32 -1.878 0.496 -3.343
240 HG22 VAL 32 1HG2 VAL 32 -2.109 -1.244 -3.498
241 HG23 VAL 32 2HG2 VAL 32 -0.827 -0.615 -2.467
242 H GLY 33 H GLY 33 -4.358 1.456 -0.071
243 HA2 GLY 33 2HA GLY 33 -5.940 -0.195 1.626
244 HA3 GLY 33 3HA GLY 33 -5.726 1.544 1.840
245 H SER 34 H SER 34 -6.877 2.430 -0.595
246 HA SER 34 HA SER 34 -9.647 2.476 0.100
247 HB2 SER 34 2HB SER 34 -8.823 4.279 -1.235
248 HB3 SER 34 3HB SER 34 -8.154 3.178 -2.435
249 HG SER 34 HG SER 34 -10.859 3.801 -1.891
250 H TYR 35 H TYR 35 -7.890 0.615 -2.383
251 HA TYR 35 HA TYR 35 -10.125 -0.669 -3.560
252 HB2 TYR 35 2HB TYR 35 -7.814 -0.800 -4.463
253 HB3 TYR 35 3HB TYR 35 -7.353 -1.821 -3.101
254 HD1 TYR 35 HD1 TYR 35 -9.455 -1.614 -6.148
255 HD2 TYR 35 HD2 TYR 35 -8.007 -4.163 -3.007
256 HE1 TYR 35 HE1 TYR 35 -10.294 -3.599 -7.370
257 HE2 TYR 35 HE2 TYR 35 -8.846 -6.147 -4.230
258 HH TYR 35 HH TYR 35 -9.618 -6.877 -6.237
259 H LEU 36 H LEU 36 -8.181 -1.618 -0.729
260 HA LEU 36 HA LEU 36 -9.569 -4.072 -0.223
261 HB2 LEU 36 2HB LEU 36 -8.080 -2.197 1.636
262 HB3 LEU 36 3HB LEU 36 -8.677 -3.781 2.132
263 HG LEU 36 HG LEU 36 -6.786 -3.355 -0.209
264 HD11 LEU 36 1HD1 LEU 36 -5.712 -2.621 1.873
265 HD12 LEU 36 2HD1 LEU 36 -4.993 -4.126 1.303
266 HD13 LEU 36 3HD1 LEU 36 -6.137 -4.150 2.643
267 HD21 LEU 36 3HD2 LEU 36 -7.854 -5.801 1.220
268 HD22 LEU 36 1HD2 LEU 36 -6.305 -5.868 0.383
269 HD23 LEU 36 2HD2 LEU 36 -7.769 -5.484 -0.505
270 H ALA 37 H ALA 37 -10.189 -0.728 0.787
271 HA ALA 37 HA ALA 37 -12.211 -1.209 2.690
272 HB1 ALA 37 3HB ALA 37 -12.980 1.027 2.262
273 HB2 ALA 37 1HB ALA 37 -12.300 1.018 0.635
274 HB3 ALA 37 2HB ALA 37 -11.232 1.036 2.037
275 H LYS 38 H LYS 38 -12.559 -0.917 -0.866
276 HA LYS 38 HA LYS 38 -15.397 -1.359 -0.885
277 HB2 LYS 38 2HB LYS 38 -13.213 -1.658 -2.954
278 HB3 LYS 38 3HB LYS 38 -14.848 -2.196 -3.329
279 HG2 LYS 38 2HG LYS 38 -14.513 0.103 -4.108
280 HG3 LYS 38 3HG LYS 38 -15.706 0.071 -2.810
281 HD2 LYS 38 2HD LYS 38 -14.062 0.831 -1.200
282 HD3 LYS 38 3HD LYS 38 -12.773 0.700 -2.395
283 HE2 LYS 38 2HE LYS 38 -13.847 2.439 -3.759
284 HE3 LYS 38 3HE LYS 38 -15.167 2.550 -2.592
285 HZ1 LYS 38 3HZ LYS 38 -13.958 3.926 -1.373
286 HZ2 LYS 38 1HZ LYS 38 -12.728 3.884 -2.540
287 HZ3 LYS 38 2HZ LYS 38 -12.705 2.784 -1.245
288 H ASN 39 H ASN 39 -12.639 -3.607 -1.047
289 HA ASN 39 HA ASN 39 -14.472 -5.944 -1.172
290 HB2 ASN 39 2HB ASN 39 -11.447 -5.717 -1.092
291 HB3 ASN 39 3HB ASN 39 -12.336 -7.237 -1.218
292 HD21 ASN 39 1HD2 ASN 39 -10.679 -5.179 -3.147
293 HD22 ASN 39 2HD2 ASN 39 -11.562 -5.324 -4.589
294 H ASP 40 H ASP 40 -13.661 -3.924 1.210
295 HA ASP 40 HA ASP 40 -14.173 -5.868 3.321
296 HB2 ASP 40 2HB ASP 40 -11.696 -6.133 2.854
297 HB3 ASP 40 3HB ASP 40 -11.485 -4.454 3.346
298 HA PRO 41 HA PRO 41 -15.136 -1.231 3.799
299 HB2 PRO 41 2HB PRO 41 -17.896 -1.543 4.113
300 HB3 PRO 41 3HB PRO 41 -17.091 -1.192 2.569
301 HG2 PRO 41 2HG PRO 41 -18.028 -3.825 3.651
302 HG3 PRO 41 3HG PRO 41 -18.139 -3.186 1.999
303 HD2 PRO 41 2HD PRO 41 -16.245 -5.000 2.677
304 HD3 PRO 41 3HD PRO 41 -15.902 -3.713 1.501
305 H SER 42 H SER 42 -16.421 -0.270 5.717
306 HA SER 42 HA SER 42 -16.708 -0.124 8.033
307 HB2 SER 42 2HB SER 42 -16.705 -3.142 8.272
308 HB3 SER 42 3HB SER 42 -17.659 -1.957 9.160
309 HG SER 42 HG SER 42 -18.211 -3.241 6.846
310 H PHE 43 H PHE 43 -14.101 -1.580 6.513
311 HA PHE 43 HA PHE 43 -12.523 -2.015 9.002
312 HB2 PHE 43 2HB PHE 43 -12.411 -3.639 7.055
313 HB3 PHE 43 3HB PHE 43 -11.649 -2.363 6.113
314 HD1 PHE 43 HD1 PHE 43 -11.330 -3.996 9.487
315 HD2 PHE 43 HD2 PHE 43 -9.265 -2.316 6.103
316 HE1 PHE 43 HE1 PHE 43 -9.165 -4.590 10.511
317 HE2 PHE 43 HE2 PHE 43 -7.097 -2.920 7.139
318 HZ PHE 43 HZ PHE 43 -7.052 -4.059 9.344
319 H ASP 44 H ASP 44 -11.609 -0.538 5.908
320 HA ASP 44 HA ASP 44 -10.561 1.505 5.421
321 HB2 ASP 44 2HB ASP 44 -12.549 2.388 6.789
322 HB3 ASP 44 3HB ASP 44 -11.439 2.494 8.151
323 HA PRO 45 HA PRO 45 -6.931 -0.089 7.868
324 HB2 PRO 45 2HB PRO 45 -5.536 1.223 5.539
325 HB3 PRO 45 3HB PRO 45 -5.245 -0.370 6.270
326 HG2 PRO 45 2HG PRO 45 -6.516 -0.190 3.947
327 HG3 PRO 45 3HG PRO 45 -7.047 -1.355 5.172
328 HD2 PRO 45 2HD PRO 45 -8.278 1.294 4.441
329 HD3 PRO 45 3HD PRO 45 -9.073 -0.243 4.867
330 H ARG 46 H ARG 46 -7.287 3.077 6.319
331 HA ARG 46 HA ARG 46 -5.337 4.513 7.766
332 HB2 ARG 46 2HB ARG 46 -8.032 5.351 6.651
333 HB3 ARG 46 3HB ARG 46 -6.894 6.506 7.347
334 HG2 ARG 46 2HG ARG 46 -5.194 5.899 5.727
335 HG3 ARG 46 3HG ARG 46 -6.192 4.586 5.105
336 HD2 ARG 46 2HD ARG 46 -6.154 6.796 3.751
337 HD3 ARG 46 3HD ARG 46 -7.725 6.069 4.075
338 HE ARG 46 HE ARG 46 -7.447 7.811 6.179
339 HH11 ARG 46 1HH2 ARG 46 -7.026 8.091 2.761
340 HH12 ARG 46 2HH2 ARG 46 -7.528 9.746 2.706
341 HH21 ARG 46 1HH1 ARG 46 -8.153 9.952 6.100
342 HH22 ARG 46 2HH1 ARG 46 -8.166 10.796 4.590
343 H ASN 47 H ASN 47 -8.674 3.697 8.698
344 HA ASN 47 HA ASN 47 -8.973 5.245 10.991
345 HB2 ASN 47 2HB ASN 47 -10.712 3.725 10.131
346 HB3 ASN 47 3HB ASN 47 -9.761 2.333 10.645
347 HD21 ASN 47 1HD2 ASN 47 -12.291 2.511 11.725
348 HD22 ASN 47 2HD2 ASN 47 -12.218 2.991 13.351
349 H TRP 48 H TRP 48 -7.255 2.117 10.749
350 HA TRP 48 HA TRP 48 -6.026 2.649 13.452
351 HB2 TRP 48 2HB TRP 48 -5.850 0.272 13.773
352 HB3 TRP 48 3HB TRP 48 -7.505 0.608 13.279
353 HD1 TRP 48 HD1 TRP 48 -8.192 -0.028 10.764
354 HE1 TRP 48 HE1 TRP 48 -7.223 -1.782 9.143
355 HE3 TRP 48 HE3 TRP 48 -3.703 -0.935 13.025
356 HZ2 TRP 48 HZ2 TRP 48 -4.850 -3.361 8.844
357 HZ3 TRP 48 HZ3 TRP 48 -2.117 -2.570 12.057
358 HH2 TRP 48 HH2 TRP 48 -2.686 -3.785 9.972
359 H GLY 49 H GLY 49 -5.270 3.292 10.478
360 HA2 GLY 49 2HA GLY 49 -2.404 2.847 10.876
361 HA3 GLY 49 3HA GLY 49 -3.080 1.911 9.541
362 H HIS 50 H HIS 50 -3.308 5.254 10.789
363 HA HIS 50 HA HIS 50 -3.856 6.388 8.192
364 HB2 HIS 50 2HB HIS 50 -4.451 7.485 10.351
365 HB3 HIS 50 3HB HIS 50 -2.735 7.732 10.672
366 HD1 HIS 50 HD1 HIS 50 -1.722 9.820 9.736
367 HD2 HIS 50 HD2 HIS 50 -5.319 8.869 7.855
368 HE1 HIS 50 HE1 HIS 50 -2.240 11.742 8.172
369 H GLY 51 H GLY 51 -2.275 5.873 6.685
370 HA2 GLY 51 2HA GLY 51 -0.240 6.136 5.543
371 HA3 GLY 51 3HA GLY 51 0.183 7.370 6.735
372 H ARG 52 H ARG 52 0.019 5.699 9.077
373 HA ARG 52 HA ARG 52 2.639 4.553 9.031
374 HB2 ARG 52 2HB ARG 52 0.410 4.178 11.069
375 HB3 ARG 52 3HB ARG 52 2.111 3.771 11.321
376 HG2 ARG 52 2HG ARG 52 2.673 6.182 10.798
377 HG3 ARG 52 3HG ARG 52 0.948 6.510 10.803
378 HD2 ARG 52 2HD ARG 52 2.426 5.299 13.157
379 HD3 ARG 52 3HD ARG 52 2.160 7.027 12.982
380 HE ARG 52 HE ARG 52 0.247 5.122 13.956
381 HH11 ARG 52 1HH2 ARG 52 0.473 7.843 11.825
382 HH12 ARG 52 2HH2 ARG 52 -1.051 8.502 12.305
383 HH21 ARG 52 1HH1 ARG 52 -1.672 6.049 14.675
384 HH22 ARG 52 2HH1 ARG 52 -2.249 7.507 13.939
385 H LEU 53 H LEU 53 -0.135 3.437 7.659
386 HA LEU 53 HA LEU 53 -0.145 0.664 8.340
387 HB2 LEU 53 2HB LEU 53 -1.865 2.075 6.944
388 HB3 LEU 53 3HB LEU 53 -0.830 1.710 5.572
389 HG LEU 53 HG LEU 53 -1.054 -0.803 6.421
390 HD11 LEU 53 1HD1 LEU 53 -2.243 -0.348 8.505
391 HD12 LEU 53 2HD1 LEU 53 -3.313 -1.223 7.419
392 HD13 LEU 53 3HD1 LEU 53 -3.507 0.514 7.637
393 HD21 LEU 53 3HD2 LEU 53 -1.891 -0.168 4.261
394 HD22 LEU 53 1HD2 LEU 53 -3.212 0.761 4.965
395 HD23 LEU 53 2HD2 LEU 53 -3.219 -1.000 5.069
396 H SER 54 H SER 54 1.590 2.509 5.849
397 HA SER 54 HA SER 54 2.825 0.281 4.559
398 HB2 SER 54 2HB SER 54 4.464 1.934 3.734
399 HB3 SER 54 3HB SER 54 2.814 2.536 3.587
400 HG SER 54 HG SER 54 3.188 3.964 5.124
401 H GLN 55 H GLN 55 3.543 1.956 7.541
402 HA GLN 55 HA GLN 55 6.224 0.775 7.824
403 HB2 GLN 55 2HB GLN 55 4.472 2.241 9.830
404 HB3 GLN 55 3HB GLN 55 6.161 1.800 10.078
405 HG2 GLN 55 2HG GLN 55 5.191 3.567 7.814
406 HG3 GLN 55 3HG GLN 55 5.845 4.177 9.333
407 HE21 GLN 55 1HE2 GLN 55 6.802 3.773 6.252
408 HE22 GLN 55 2HE2 GLN 55 8.434 3.361 6.474
409 H MET 56 H MET 56 2.947 0.132 8.990
410 HA MET 56 HA MET 56 3.629 -1.821 10.956
411 HB2 MET 56 2HB MET 56 1.363 -0.751 10.634
412 HB3 MET 56 3HB MET 56 1.134 -1.791 9.228
413 HG2 MET 56 2HG MET 56 0.075 -2.889 11.089
414 HG3 MET 56 3HG MET 56 1.561 -3.777 10.765
415 HE1 MET 56 3HE MET 56 1.004 -3.888 14.632
416 HE2 MET 56 1HE MET 56 0.661 -4.652 13.075
417 HE3 MET 56 2HE MET 56 -0.363 -3.345 13.665
418 H VAL 57 H VAL 57 2.996 -2.106 7.478
419 HA VAL 57 HA VAL 57 3.256 -5.001 7.428
420 HB VAL 57 HB VAL 57 3.398 -4.692 4.957
421 HG11 VAL 57 1HG1 VAL 57 1.203 -4.843 6.025
422 HG12 VAL 57 2HG1 VAL 57 1.142 -3.667 4.711
423 HG13 VAL 57 3HG1 VAL 57 1.236 -3.115 6.383
424 HG21 VAL 57 3HG2 VAL 57 3.299 -1.759 5.706
425 HG22 VAL 57 1HG2 VAL 57 3.087 -2.384 4.074
426 HG23 VAL 57 2HG2 VAL 57 4.633 -2.580 4.898
427 H LYS 58 H LYS 58 5.497 -2.518 7.807
428 HA LYS 58 HA LYS 58 7.720 -3.382 6.274
429 HB2 LYS 58 2HB LYS 58 7.553 -1.237 7.595
430 HB3 LYS 58 3HB LYS 58 7.827 -2.182 9.058
431 HG2 LYS 58 2HG LYS 58 9.992 -2.944 8.192
432 HG3 LYS 58 3HG LYS 58 9.722 -2.055 6.693
433 HD2 LYS 58 2HD LYS 58 9.622 0.062 7.967
434 HD3 LYS 58 3HD LYS 58 9.908 -0.829 9.462
435 HE2 LYS 58 2HE LYS 58 12.017 0.111 8.668
436 HE3 LYS 58 3HE LYS 58 12.068 -1.646 8.519
437 HZ1 LYS 58 3HZ LYS 58 10.973 -0.379 6.198
438 HZ2 LYS 58 1HZ LYS 58 12.230 -1.512 6.318
439 HZ3 LYS 58 2HZ LYS 58 12.557 0.144 6.523
440 H LYS 59 H LYS 59 6.395 -4.612 9.300
441 HA LYS 59 HA LYS 59 8.702 -6.226 9.992
442 HB2 LYS 59 2HB LYS 59 6.888 -5.518 11.590
443 HB3 LYS 59 3HB LYS 59 5.794 -6.630 10.772
444 HG2 LYS 59 2HG LYS 59 7.219 -8.527 11.373
445 HG3 LYS 59 3HG LYS 59 8.399 -7.440 12.104
446 HD2 LYS 59 2HD LYS 59 6.691 -6.706 13.738
447 HD3 LYS 59 3HD LYS 59 5.528 -7.814 13.008
448 HE2 LYS 59 2HE LYS 59 6.981 -9.720 13.554
449 HE3 LYS 59 3HE LYS 59 8.164 -8.622 14.265
450 HZ1 LYS 59 3HZ LYS 59 6.091 -7.853 15.629
451 HZ2 LYS 59 1HZ LYS 59 6.982 -9.214 16.104
452 HZ3 LYS 59 2HZ LYS 59 5.523 -9.411 15.260
453 H LEU 60 H LEU 60 6.459 -6.438 7.491
454 HA LEU 60 HA LEU 60 6.517 -9.414 7.303
455 HB2 LEU 60 2HB LEU 60 5.238 -7.390 5.444
456 HB3 LEU 60 3HB LEU 60 4.925 -9.125 5.503
457 HG LEU 60 HG LEU 60 4.332 -7.141 7.726
458 HD11 LEU 60 1HD1 LEU 60 2.849 -6.890 5.776
459 HD12 LEU 60 2HD1 LEU 60 1.974 -7.561 7.152
460 HD13 LEU 60 3HD1 LEU 60 2.478 -8.613 5.831
461 HD21 LEU 60 3HD2 LEU 60 4.008 -10.150 7.504
462 HD22 LEU 60 1HD2 LEU 60 2.990 -9.201 8.591
463 HD23 LEU 60 2HD2 LEU 60 4.733 -9.214 8.810
464 H ASP 61 H ASP 61 8.384 -10.183 6.471
465 HA ASP 61 HA ASP 61 10.195 -8.681 4.857
466 HB2 ASP 61 2HB ASP 61 10.820 -10.660 6.228
467 HB3 ASP 61 3HB ASP 61 9.957 -11.690 5.089
468 H PHE 62 H PHE 62 7.622 -10.982 3.957
469 HA PHE 62 HA PHE 62 8.391 -11.071 1.170
470 HB2 PHE 62 2HB PHE 62 6.183 -12.117 0.808
471 HB3 PHE 62 3HB PHE 62 7.059 -12.855 2.147
472 HD1 PHE 62 HD1 PHE 62 6.381 -12.456 4.482
473 HD2 PHE 62 HD2 PHE 62 4.174 -10.778 1.198
474 HE1 PHE 62 HE1 PHE 62 4.487 -11.968 6.005
475 HE2 PHE 62 HE2 PHE 62 2.279 -10.291 2.723
476 HZ PHE 62 HZ PHE 62 2.432 -10.892 5.124
477 H LEU 63 H LEU 63 7.827 -8.352 2.511
478 HA LEU 63 HA LEU 63 6.254 -7.226 0.229
479 HB2 LEU 63 2HB LEU 63 5.737 -6.878 3.181
480 HB3 LEU 63 3HB LEU 63 5.314 -5.569 2.083
481 HG LEU 63 HG LEU 63 4.365 -8.392 1.479
482 HD11 LEU 63 1HD1 LEU 63 2.259 -7.887 2.723
483 HD12 LEU 63 2HD1 LEU 63 3.036 -6.455 3.394
484 HD13 LEU 63 3HD1 LEU 63 3.659 -8.055 3.778
485 HD21 LEU 63 3HD2 LEU 63 2.471 -7.146 0.446
486 HD22 LEU 63 1HD2 LEU 63 4.018 -6.643 -0.227
487 HD23 LEU 63 2HD2 LEU 63 3.204 -5.629 0.959
488 H THR 64 H THR 64 7.398 -5.650 -0.713
489 HA THR 64 HA THR 64 9.815 -4.576 0.615
490 HB THR 64 HB THR 64 8.680 -4.028 -2.151
491 HG1 THR 64 HG1 THR 64 9.249 -6.095 -2.225
492 HG21 THR 64 3HG2 THR 64 10.211 -2.282 -1.485
493 HG22 THR 64 1HG2 THR 64 11.058 -3.346 -2.607
494 HG23 THR 64 2HG2 THR 64 11.370 -3.462 -0.875
495 H VAL 65 H VAL 65 10.041 -2.405 1.237
496 HA VAL 65 HA VAL 65 7.563 -0.693 1.123
497 HB VAL 65 HB VAL 65 9.745 -0.843 3.237
498 HG11 VAL 65 1HG1 VAL 65 8.234 0.803 4.449
499 HG12 VAL 65 2HG1 VAL 65 7.358 1.008 2.932
500 HG13 VAL 65 3HG1 VAL 65 9.055 1.471 3.040
501 HG21 VAL 65 3HG2 VAL 65 6.786 -1.513 3.299
502 HG22 VAL 65 1HG2 VAL 65 7.867 -1.555 4.692
503 HG23 VAL 65 2HG2 VAL 65 8.112 -2.677 3.354
504 H GLN 66 H GLN 66 7.802 1.200 0.068
505 HA GLN 66 HA GLN 66 10.376 2.619 -0.017
506 HB2 GLN 66 2HB GLN 66 10.529 0.979 -1.919
507 HB3 GLN 66 3HB GLN 66 9.078 1.708 -2.611
508 HG2 GLN 66 2HG GLN 66 10.198 3.864 -2.792
509 HG3 GLN 66 3HG GLN 66 11.632 3.229 -1.989
510 HE21 GLN 66 1HE2 GLN 66 13.239 2.556 -3.411
511 HE22 GLN 66 2HE2 GLN 66 12.979 2.073 -5.017
512 H GLU 67 H GLU 67 10.060 4.832 -0.831
513 HA GLU 67 HA GLU 67 7.250 5.654 -1.330
514 HB2 GLU 67 2HB GLU 67 7.435 7.442 0.410
515 HB3 GLU 67 3HB GLU 67 7.436 5.816 1.081
516 HG2 GLU 67 2HG GLU 67 9.993 7.315 0.508
517 HG3 GLU 67 3HG GLU 67 9.164 7.421 2.051
518 H SER 68 H SER 68 7.062 7.592 -2.489
519 HA SER 68 HA SER 68 9.355 9.316 -3.000
520 HB2 SER 68 2HB SER 68 8.429 7.374 -5.131
521 HB3 SER 68 3HB SER 68 9.464 8.763 -5.453
522 HG SER 68 HG SER 68 11.060 7.850 -4.290
523 H ARG 69 H ARG 69 8.764 11.167 -4.251
524 HA ARG 69 HA ARG 69 6.307 11.402 -5.663
525 HB2 ARG 69 2HB ARG 69 5.684 11.356 -3.034
526 HB3 ARG 69 3HB ARG 69 6.112 13.055 -3.159
527 HG2 ARG 69 2HG ARG 69 4.510 12.989 -5.289
528 HG3 ARG 69 3HG ARG 69 3.850 11.567 -4.515
529 HD2 ARG 69 2HD ARG 69 4.052 13.660 -2.505
530 HD3 ARG 69 3HD ARG 69 3.260 14.306 -3.921
531 HE ARG 69 HE ARG 69 2.235 11.713 -2.877
532 HH11 ARG 69 1HH2 ARG 69 1.872 15.155 -3.313
533 HH12 ARG 69 2HH2 ARG 69 0.302 15.200 -2.598
534 HH21 ARG 69 1HH1 ARG 69 0.139 11.859 -1.872
535 HH22 ARG 69 2HH1 ARG 69 -0.658 13.396 -1.822
536 H ASN 70 H ASN 70 5.870 13.837 -6.108
537 HA ASN 70 HA ASN 70 8.330 15.051 -6.976
538 HB2 ASN 70 2HB ASN 70 6.113 15.260 -8.121
539 HB3 ASN 70 3HB ASN 70 5.570 16.288 -6.796
540 HD21 ASN 70 1HD2 ASN 70 7.948 16.086 -9.450
541 HD22 ASN 70 2HD2 ASN 70 8.239 17.756 -9.531
542 H GLY 71 H GLY 71 8.843 17.382 -6.462
543 HA2 GLY 71 2HA GLY 71 9.504 19.005 -4.911
544 HA3 GLY 71 3HA GLY 71 7.998 18.652 -4.063
545 H SER 72 H SER 72 9.003 18.762 -2.017
546 HA SER 72 HA SER 72 11.147 16.792 -1.377
547 HB2 SER 72 2HB SER 72 11.357 17.999 0.708
548 HB3 SER 72 3HB SER 72 11.294 19.179 -0.600
549 HG SER 72 HG SER 72 8.819 18.746 0.050
550 H LYS 73 H LYS 73 7.909 16.607 -1.690
551 HA LYS 73 HA LYS 73 7.306 15.322 0.913
552 HB2 LYS 73 2HB LYS 73 5.632 16.734 -0.336
553 HB3 LYS 73 3HB LYS 73 5.574 15.477 -1.573
554 HG2 LYS 73 2HG LYS 73 4.817 13.837 0.069
555 HG3 LYS 73 3HG LYS 73 4.972 15.020 1.367
556 HD2 LYS 73 2HD LYS 73 3.276 16.447 0.264
557 HD3 LYS 73 3HD LYS 73 3.102 15.242 -1.007
558 HE2 LYS 73 2HE LYS 73 2.350 13.580 0.627
559 HE3 LYS 73 3HE LYS 73 2.585 14.740 1.935
560 HZ1 LYS 73 3HZ LYS 73 0.715 15.839 1.414
561 HZ2 LYS 73 1HZ LYS 73 0.272 14.393 0.648
562 HZ3 LYS 73 2HZ LYS 73 0.936 15.665 -0.261
563 H LEU 74 H LEU 74 6.770 13.108 1.127
564 HA LEU 74 HA LEU 74 7.666 11.299 -1.111
565 HB2 LEU 74 2HB LEU 74 8.032 10.880 1.875
566 HB3 LEU 74 3HB LEU 74 8.512 9.760 0.603
567 HG LEU 74 HG LEU 74 9.837 11.969 -0.296
568 HD11 LEU 74 1HD1 LEU 74 9.896 12.293 2.719
569 HD12 LEU 74 2HD1 LEU 74 9.042 13.371 1.622
570 HD13 LEU 74 3HD1 LEU 74 10.796 13.244 1.541
571 HD21 LEU 74 3HD2 LEU 74 11.858 11.120 0.894
572 HD22 LEU 74 1HD2 LEU 74 10.910 9.828 0.158
573 HD23 LEU 74 2HD2 LEU 74 10.813 10.111 1.895
574 H HIS 75 H HIS 75 6.043 10.017 -1.806
575 HA HIS 75 HA HIS 75 3.594 9.688 -0.152
576 HB2 HIS 75 2HB HIS 75 3.527 10.234 -2.623
577 HB3 HIS 75 3HB HIS 75 4.158 8.627 -2.946
578 HD1 HIS 75 HD1 HIS 75 1.316 10.074 -0.826
579 HD2 HIS 75 HD2 HIS 75 2.078 6.859 -3.373
580 HE1 HIS 75 HE1 HIS 75 -0.833 8.743 -0.961
581 H SER 76 H SER 76 3.044 7.686 0.820
582 HA SER 76 HA SER 76 5.146 5.706 1.044
583 HB2 SER 76 2HB SER 76 2.236 5.328 1.803
584 HB3 SER 76 3HB SER 76 3.640 4.481 2.456
585 HG SER 76 HG SER 76 2.618 6.443 3.585
586 H GLU 77 H GLU 77 5.321 3.718 -0.009
587 HA GLU 77 HA GLU 77 3.148 2.807 -1.819
588 HB2 GLU 77 2HB GLU 77 5.947 3.486 -2.806
589 HB3 GLU 77 3HB GLU 77 4.770 2.550 -3.725
590 HG2 GLU 77 2HG GLU 77 3.191 4.488 -3.576
591 HG3 GLU 77 3HG GLU 77 4.468 5.423 -2.805
592 H ILE 78 H ILE 78 3.122 0.570 -1.907
593 HA ILE 78 HA ILE 78 5.538 -0.932 -0.889
594 HB ILE 78 HB ILE 78 3.965 -2.567 0.117
595 HG12 ILE 78 2HG1 ILE 78 1.842 -0.500 -0.555
596 HG13 ILE 78 3HG1 ILE 78 2.016 -2.050 -1.361
597 HG21 ILE 78 1HG2 ILE 78 3.626 0.297 1.058
598 HG22 ILE 78 2HG2 ILE 78 4.954 -0.779 1.474
599 HG23 ILE 78 3HG2 ILE 78 3.324 -1.137 2.036
600 HD11 ILE 78 3HD1 ILE 78 1.394 -1.618 1.569
601 HD12 ILE 78 1HD1 ILE 78 1.732 -3.190 0.841
602 HD13 ILE 78 2HD1 ILE 78 0.311 -2.272 0.341
603 H ARG 79 H ARG 79 5.809 -3.066 -1.784
604 HA ARG 79 HA ARG 79 4.109 -3.765 -4.132
605 HB2 ARG 79 2HB ARG 79 6.063 -2.377 -4.932
606 HB3 ARG 79 3HB ARG 79 7.136 -3.633 -4.316
607 HG2 ARG 79 2HG ARG 79 6.096 -5.292 -5.789
608 HG3 ARG 79 3HG ARG 79 4.927 -4.102 -6.354
609 HD2 ARG 79 2HD ARG 79 6.988 -2.697 -7.101
610 HD3 ARG 79 3HD ARG 79 7.905 -4.191 -6.895
611 HE ARG 79 HE ARG 79 5.511 -4.478 -8.556
612 HH11 ARG 79 1HH2 ARG 79 8.903 -3.815 -8.408
613 HH12 ARG 79 2HH2 ARG 79 9.144 -4.042 -10.108
614 HH21 ARG 79 1HH1 ARG 79 5.818 -4.729 -10.771
615 HH22 ARG 79 2HH1 ARG 79 7.405 -4.550 -11.441
616 H LEU 80 H LEU 80 4.093 -6.001 -4.542
617 HA LEU 80 HA LEU 80 4.913 -7.667 -2.301
618 HB2 LEU 80 2HB LEU 80 2.926 -7.868 -4.174
619 HB3 LEU 80 3HB LEU 80 4.094 -8.967 -4.880
620 HG LEU 80 HG LEU 80 2.591 -10.221 -3.455
621 HD11 LEU 80 1HD1 LEU 80 4.176 -11.429 -2.187
622 HD12 LEU 80 2HD1 LEU 80 5.157 -10.000 -1.884
623 HD13 LEU 80 3HD1 LEU 80 5.112 -10.709 -3.491
624 HD21 LEU 80 3HD2 LEU 80 2.265 -8.021 -1.910
625 HD22 LEU 80 1HD2 LEU 80 3.453 -8.862 -0.912
626 HD23 LEU 80 2HD2 LEU 80 1.930 -9.637 -1.316
627 H ARG 81 H ARG 81 6.672 -9.034 -2.174
628 HA ARG 81 HA ARG 81 8.956 -8.453 -3.792
629 HB2 ARG 81 2HB ARG 81 8.778 -9.400 -1.360
630 HB3 ARG 81 3HB ARG 81 8.652 -10.970 -2.132
631 HG2 ARG 81 2HG ARG 81 10.982 -10.802 -1.761
632 HG3 ARG 81 3HG ARG 81 10.842 -10.242 -3.425
633 HD2 ARG 81 2HD ARG 81 10.985 -7.920 -2.727
634 HD3 ARG 81 3HD ARG 81 10.849 -8.369 -1.031
635 HE ARG 81 HE ARG 81 13.134 -9.700 -1.869
636 HH11 ARG 81 1HH2 ARG 81 11.937 -6.468 -1.938
637 HH12 ARG 81 2HH2 ARG 81 13.506 -5.739 -1.873
638 HH21 ARG 81 1HH1 ARG 81 15.199 -8.756 -1.766
639 HH22 ARG 81 2HH1 ARG 81 15.351 -7.032 -1.777
640 H HIS 82 H HIS 82 6.265 -10.051 -4.747
641 HA HIS 82 HA HIS 82 7.530 -12.315 -6.164
642 HB2 HIS 82 2HB HIS 82 4.711 -11.181 -6.205
643 HB3 HIS 82 3HB HIS 82 5.214 -12.596 -7.132
644 HD1 HIS 82 HD1 HIS 82 7.171 -13.569 -4.716
645 HD2 HIS 82 HD2 HIS 82 3.078 -12.801 -4.479
646 HE1 HIS 82 HE1 HIS 82 6.311 -14.868 -2.716
647 H ASP 83 H ASP 83 7.912 -9.219 -6.658
648 HA ASP 83 HA ASP 83 7.121 -8.913 -9.468
649 HB2 ASP 83 2HB ASP 83 8.417 -6.782 -9.284
650 HB3 ASP 83 3HB ASP 83 7.202 -6.951 -8.017
651 H GLY 84 H GLY 84 9.514 -10.669 -7.993
652 HA2 GLY 84 2HA GLY 84 11.285 -11.861 -9.034
653 HA3 GLY 84 3HA GLY 84 11.090 -10.868 -10.476
654 H LEU 85 H LEU 85 13.594 -10.965 -10.122
655 HA LEU 85 HA LEU 85 14.423 -8.412 -8.907
656 HB2 LEU 85 2HB LEU 85 16.385 -9.785 -7.752
657 HB3 LEU 85 3HB LEU 85 14.837 -9.603 -6.933
658 HG LEU 85 HG LEU 85 14.112 -11.805 -7.713
659 HD11 LEU 85 1HD1 LEU 85 15.895 -13.269 -8.848
660 HD12 LEU 85 2HD1 LEU 85 16.763 -11.772 -9.183
661 HD13 LEU 85 3HD1 LEU 85 15.154 -12.029 -9.852
662 HD21 LEU 85 3HD2 LEU 85 16.909 -11.884 -6.548
663 HD22 LEU 85 1HD2 LEU 85 15.693 -13.155 -6.418
664 HD23 LEU 85 2HD2 LEU 85 15.433 -11.599 -5.627
665 H GLU 86 H GLU 86 14.455 -10.458 -11.405
666 HA GLU 86 HA GLU 86 17.115 -10.792 -12.241
667 HB2 GLU 86 2HB GLU 86 15.107 -11.688 -13.425
668 HB3 GLU 86 3HB GLU 86 14.762 -10.061 -14.007
669 HG2 GLU 86 2HG GLU 86 16.883 -9.988 -15.207
670 HG3 GLU 86 3HG GLU 86 17.353 -11.552 -14.540
671 H HIS 87 H HIS 87 18.382 -8.959 -11.656
672 HA HIS 87 HA HIS 87 17.700 -6.283 -12.651
673 HB2 HIS 87 2HB HIS 87 19.906 -5.651 -11.712
674 HB3 HIS 87 3HB HIS 87 18.936 -6.540 -10.539
675 HD1 HIS 87 HD1 HIS 87 19.624 -9.038 -10.060
676 HD2 HIS 87 HD2 HIS 87 22.256 -6.970 -12.551
677 HE1 HIS 87 HE1 HIS 87 21.731 -10.437 -10.201
678 H HIS 88 H HIS 88 19.307 -9.059 -13.885
679 HA HIS 88 HA HIS 88 21.102 -7.689 -15.714
680 HB2 HIS 88 2HB HIS 88 21.449 -10.045 -15.000
681 HB3 HIS 88 3HB HIS 88 19.973 -10.504 -15.848
682 HD1 HIS 88 HD1 HIS 88 23.370 -8.943 -16.582
683 HD2 HIS 88 HD2 HIS 88 20.342 -11.025 -18.550
684 HE1 HIS 88 HE1 HIS 88 24.233 -9.425 -18.912
685 H HIS 89 H HIS 89 20.255 -6.383 -17.268
686 HA HIS 89 HA HIS 89 17.582 -6.877 -18.395
687 HB2 HIS 89 2HB HIS 89 19.691 -4.788 -19.029
688 HB3 HIS 89 3HB HIS 89 18.054 -4.806 -19.686
689 HD1 HIS 89 HD1 HIS 89 18.537 -2.364 -18.133
690 HD2 HIS 89 HD2 HIS 89 17.442 -5.900 -16.214
691 HE1 HIS 89 HE1 HIS 89 17.591 -1.695 -15.883
692 H HIS 90 H HIS 90 17.165 -7.430 -20.569
693 HA HIS 90 HA HIS 90 19.116 -9.166 -21.822
694 HB2 HIS 90 2HB HIS 90 17.427 -9.336 -23.632
695 HB3 HIS 90 3HB HIS 90 16.705 -9.577 -22.043
696 HD1 HIS 90 HD1 HIS 90 15.601 -7.309 -20.968
697 HD2 HIS 90 HD2 HIS 90 16.212 -7.314 -25.093
698 HE1 HIS 90 HE1 HIS 90 14.159 -5.450 -21.908
699 H HIS 91 H HIS 91 20.752 -8.535 -23.145
700 HA HIS 91 HA HIS 91 20.959 -5.751 -24.034
701 HB2 HIS 91 2HB HIS 91 23.116 -6.483 -25.001
702 HB3 HIS 91 3HB HIS 91 22.965 -6.973 -23.314
703 HD1 HIS 91 HD1 HIS 91 22.152 -9.538 -22.941
704 HD2 HIS 91 HD2 HIS 91 23.551 -8.601 -26.756
705 HE1 HIS 91 HE1 HIS 91 22.675 -11.741 -24.073
706 H HIS 92 H HIS 92 20.955 -5.050 -26.219
707 HA HIS 92 HA HIS 92 19.140 -6.483 -27.972
708 HB2 HIS 92 2HB HIS 92 20.914 -4.076 -28.497
709 HB3 HIS 92 3HB HIS 92 19.636 -4.648 -29.570
710 HD1 HIS 92 HD1 HIS 92 17.153 -4.690 -28.458
711 HD2 HIS 92 HD2 HIS 92 20.014 -2.394 -26.474
712 HE1 HIS 92 HE1 HIS 92 15.883 -3.156 -26.895
Start of MODEL 19
1 H1 MET 1 1H MET 1 -12.476 -23.368 -6.852
2 H2 MET 1 2H MET 1 -12.799 -21.709 -6.685
3 H3 MET 1 3H MET 1 -11.847 -22.511 -5.532
4 HA MET 1 HA MET 1 -10.220 -23.005 -7.358
5 HB2 MET 1 2HB MET 1 -10.438 -21.225 -9.243
6 HB3 MET 1 3HB MET 1 -11.484 -22.641 -9.333
7 HG2 MET 1 2HG MET 1 -12.432 -20.126 -7.942
8 HG3 MET 1 3HG MET 1 -12.577 -20.307 -9.690
9 HE1 MET 1 3HE MET 1 -14.770 -20.126 -7.066
10 HE2 MET 1 1HE MET 1 -16.107 -20.920 -7.911
11 HE3 MET 1 2HE MET 1 -15.103 -19.744 -8.754
12 HA PRO 2 HA PRO 2 -9.311 -19.421 -4.485
13 HB2 PRO 2 2HB PRO 2 -6.986 -21.196 -3.823
14 HB3 PRO 2 3HB PRO 2 -8.105 -20.357 -2.725
15 HG2 PRO 2 2HG PRO 2 -8.256 -23.000 -3.070
16 HG3 PRO 2 3HG PRO 2 -9.726 -22.021 -2.899
17 HD2 PRO 2 2HD PRO 2 -8.495 -23.138 -5.422
18 HD3 PRO 2 3HD PRO 2 -10.207 -23.085 -4.938
19 H HIS 3 H HIS 3 -7.773 -17.786 -4.843
20 HA HIS 3 HA HIS 3 -5.363 -18.266 -6.442
21 HB2 HIS 3 2HB HIS 3 -7.175 -18.113 -8.183
22 HB3 HIS 3 3HB HIS 3 -7.539 -16.488 -7.599
23 HD1 HIS 3 HD1 HIS 3 -5.769 -14.625 -8.049
24 HD2 HIS 3 HD2 HIS 3 -4.749 -18.338 -9.648
25 HE1 HIS 3 HE1 HIS 3 -3.828 -14.218 -9.624
26 H LYS 4 H LYS 4 -7.620 -15.901 -5.057
27 HA LYS 4 HA LYS 4 -5.410 -14.532 -3.722
28 HB2 LYS 4 2HB LYS 4 -6.018 -12.288 -4.776
29 HB3 LYS 4 3HB LYS 4 -5.164 -13.411 -5.833
30 HG2 LYS 4 2HG LYS 4 -7.285 -14.104 -6.856
31 HG3 LYS 4 3HG LYS 4 -8.173 -13.035 -5.772
32 HD2 LYS 4 2HD LYS 4 -6.990 -11.087 -6.714
33 HD3 LYS 4 3HD LYS 4 -6.098 -12.154 -7.799
34 HE2 LYS 4 2HE LYS 4 -8.208 -12.885 -8.834
35 HE3 LYS 4 3HE LYS 4 -9.113 -11.839 -7.741
36 HZ1 LYS 4 3HZ LYS 4 -8.609 -10.035 -8.931
37 HZ2 LYS 4 1HZ LYS 4 -8.201 -11.115 -10.173
38 HZ3 LYS 4 2HZ LYS 4 -6.990 -10.499 -9.153
39 H GLU 5 H GLU 5 -7.325 -15.725 -2.374
40 HA GLU 5 HA GLU 5 -9.816 -14.474 -1.954
41 HB2 GLU 5 2HB GLU 5 -7.974 -15.809 0.049
42 HB3 GLU 5 3HB GLU 5 -9.662 -15.415 0.368
43 HG2 GLU 5 2HG GLU 5 -8.748 -17.176 -1.926
44 HG3 GLU 5 3HG GLU 5 -9.264 -17.800 -0.360
45 H LYS 6 H LYS 6 -10.422 -13.082 -0.024
46 HA LYS 6 HA LYS 6 -8.479 -10.825 0.223
47 HB2 LYS 6 2HB LYS 6 -11.412 -11.026 0.950
48 HB3 LYS 6 3HB LYS 6 -10.431 -9.562 1.060
49 HG2 LYS 6 2HG LYS 6 -9.934 -9.796 -1.403
50 HG3 LYS 6 3HG LYS 6 -11.098 -11.118 -1.459
51 HD2 LYS 6 2HD LYS 6 -11.766 -8.316 -0.503
52 HD3 LYS 6 3HD LYS 6 -12.046 -8.881 -2.146
53 HE2 LYS 6 2HE LYS 6 -13.420 -10.793 -1.072
54 HE3 LYS 6 3HE LYS 6 -13.377 -9.825 0.402
55 HZ1 LYS 6 3HZ LYS 6 -14.950 -8.514 -0.400
56 HZ2 LYS 6 1HZ LYS 6 -15.095 -9.535 -1.749
57 HZ3 LYS 6 2HZ LYS 6 -14.050 -8.197 -1.808
58 H HIS 7 H HIS 7 -9.172 -13.584 1.918
59 HA HIS 7 HA HIS 7 -9.136 -12.406 4.621
60 HB2 HIS 7 2HB HIS 7 -10.013 -14.859 3.515
61 HB3 HIS 7 3HB HIS 7 -8.627 -15.317 4.490
62 HD1 HIS 7 HD1 HIS 7 -11.737 -13.119 4.915
63 HD2 HIS 7 HD2 HIS 7 -9.341 -15.728 7.117
64 HE1 HIS 7 HE1 HIS 7 -12.826 -13.345 7.189
65 HA PRO 8 HA PRO 8 -4.697 -14.404 4.469
66 HB2 PRO 8 2HB PRO 8 -3.984 -14.310 1.577
67 HB3 PRO 8 3HB PRO 8 -3.803 -15.648 2.726
68 HG2 PRO 8 2HG PRO 8 -5.663 -15.695 0.768
69 HG3 PRO 8 3HG PRO 8 -5.945 -16.440 2.354
70 HD2 PRO 8 2HD PRO 8 -6.948 -13.785 1.315
71 HD3 PRO 8 3HD PRO 8 -7.802 -15.012 2.284
72 H LEU 9 H LEU 9 -2.965 -13.005 4.871
73 HA LEU 9 HA LEU 9 -3.274 -10.209 4.281
74 HB2 LEU 9 2HB LEU 9 -1.023 -11.899 5.395
75 HB3 LEU 9 3HB LEU 9 -0.770 -10.184 5.080
76 HG LEU 9 HG LEU 9 -2.644 -9.612 6.567
77 HD11 LEU 9 1HD1 LEU 9 -2.886 -12.625 6.810
78 HD12 LEU 9 2HD1 LEU 9 -4.128 -11.466 6.331
79 HD13 LEU 9 3HD1 LEU 9 -3.579 -11.521 8.001
80 HD21 LEU 9 3HD2 LEU 9 -0.353 -9.871 7.499
81 HD22 LEU 9 1HD2 LEU 9 -0.702 -11.564 7.850
82 HD23 LEU 9 2HD2 LEU 9 -1.590 -10.287 8.683
83 H GLN 10 H GLN 10 -1.177 -12.730 2.883
84 HA GLN 10 HA GLN 10 0.228 -11.015 1.082
85 HB2 GLN 10 2HB GLN 10 0.914 -13.350 1.654
86 HB3 GLN 10 3HB GLN 10 -0.445 -13.951 0.706
87 HG2 GLN 10 2HG GLN 10 0.466 -12.901 -1.318
88 HG3 GLN 10 3HG GLN 10 1.794 -12.213 -0.382
89 HE21 GLN 10 1HE2 GLN 10 3.598 -13.395 -1.120
90 HE22 GLN 10 2HE2 GLN 10 3.692 -15.091 -1.115
91 H ASP 11 H ASP 11 -2.701 -13.004 0.590
92 HA ASP 11 HA ASP 11 -3.049 -12.229 -2.146
93 HB2 ASP 11 2HB ASP 11 -5.108 -13.159 -0.130
94 HB3 ASP 11 3HB ASP 11 -5.368 -13.038 -1.866
95 H MET 12 H MET 12 -4.108 -10.807 0.908
96 HA MET 12 HA MET 12 -5.982 -8.940 -0.141
97 HB2 MET 12 2HB MET 12 -5.670 -9.461 2.282
98 HB3 MET 12 3HB MET 12 -4.142 -8.583 2.245
99 HG2 MET 12 2HG MET 12 -5.303 -6.519 1.624
100 HG3 MET 12 3HG MET 12 -6.838 -7.385 1.540
101 HE1 MET 12 3HE MET 12 -7.917 -5.766 4.699
102 HE2 MET 12 1HE MET 12 -8.482 -6.913 3.476
103 HE3 MET 12 2HE MET 12 -7.657 -5.435 2.988
104 H PHE 13 H PHE 13 -2.496 -8.470 0.593
105 HA PHE 13 HA PHE 13 -2.439 -5.819 -0.566
106 HB2 PHE 13 2HB PHE 13 -0.205 -7.784 0.036
107 HB3 PHE 13 3HB PHE 13 0.063 -6.138 -0.523
108 HD1 PHE 13 HD2 PHE 13 -1.277 -4.262 0.826
109 HD2 PHE 13 HD1 PHE 13 -0.233 -8.128 2.394
110 HE1 PHE 13 HE2 PHE 13 -1.507 -3.393 3.135
111 HE2 PHE 13 HE1 PHE 13 -0.468 -7.257 4.697
112 HZ PHE 13 HZ PHE 13 -1.102 -4.889 5.072
113 H THR 14 H THR 14 -1.656 -9.056 -1.818
114 HA THR 14 HA THR 14 -0.532 -8.224 -4.295
115 HB THR 14 HB THR 14 -2.174 -10.706 -3.707
116 HG1 THR 14 HG1 THR 14 -0.489 -11.202 -2.585
117 HG21 THR 14 3HG2 THR 14 -0.779 -11.648 -5.597
118 HG22 THR 14 1HG2 THR 14 -0.275 -9.997 -5.956
119 HG23 THR 14 2HG2 THR 14 -1.975 -10.450 -6.091
120 H SER 15 H SER 15 -3.922 -8.951 -3.437
121 HA SER 15 HA SER 15 -5.001 -8.519 -6.046
122 HB2 SER 15 2HB SER 15 -7.155 -8.182 -4.868
123 HB3 SER 15 3HB SER 15 -6.292 -9.586 -4.250
124 HG SER 15 HG SER 15 -6.152 -6.983 -3.123
125 H ALA 16 H ALA 16 -4.501 -6.271 -3.321
126 HA ALA 16 HA ALA 16 -5.660 -4.010 -4.709
127 HB1 ALA 16 3HB ALA 16 -5.520 -4.115 -2.252
128 HB2 ALA 16 1HB ALA 16 -4.687 -2.689 -2.873
129 HB3 ALA 16 2HB ALA 16 -3.759 -4.095 -2.353
130 H ILE 17 H ILE 17 -2.278 -5.025 -4.114
131 HA ILE 17 HA ILE 17 -1.062 -2.787 -5.405
132 HB ILE 17 HB ILE 17 -0.120 -5.649 -5.032
133 HG12 ILE 17 2HG1 ILE 17 0.746 -3.135 -3.557
134 HG13 ILE 17 3HG1 ILE 17 -0.580 -4.150 -2.995
135 HG21 ILE 17 1HG2 ILE 17 1.378 -3.211 -6.041
136 HG22 ILE 17 2HG2 ILE 17 1.212 -4.773 -6.836
137 HG23 ILE 17 3HG2 ILE 17 2.199 -4.628 -5.385
138 HD11 ILE 17 3HD1 ILE 17 1.510 -4.804 -1.883
139 HD12 ILE 17 1HD1 ILE 17 2.278 -5.068 -3.447
140 HD13 ILE 17 2HD1 ILE 17 0.947 -6.102 -2.930
141 H GLU 18 H GLU 18 -1.927 -6.003 -6.679
142 HA GLU 18 HA GLU 18 -1.007 -5.454 -9.349
143 HB2 GLU 18 2HB GLU 18 -3.052 -7.449 -8.323
144 HB3 GLU 18 3HB GLU 18 -2.394 -7.447 -9.959
145 HG2 GLU 18 2HG GLU 18 -0.698 -7.660 -7.453
146 HG3 GLU 18 3HG GLU 18 -1.225 -9.045 -8.405
147 H ALA 19 H ALA 19 -4.085 -4.958 -7.702
148 HA ALA 19 HA ALA 19 -5.630 -4.386 -10.048
149 HB1 ALA 19 3HB ALA 19 -5.979 -3.434 -7.191
150 HB2 ALA 19 1HB ALA 19 -6.721 -4.860 -7.919
151 HB3 ALA 19 2HB ALA 19 -7.183 -3.247 -8.464
152 H VAL 20 H VAL 20 -3.690 -2.305 -7.908
153 HA VAL 20 HA VAL 20 -4.260 0.051 -9.672
154 HB VAL 20 HB VAL 20 -3.454 1.431 -7.889
155 HG11 VAL 20 1HG1 VAL 20 -5.718 0.430 -7.602
156 HG12 VAL 20 2HG1 VAL 20 -4.942 0.805 -6.062
157 HG13 VAL 20 3HG1 VAL 20 -4.997 -0.861 -6.639
158 HG21 VAL 20 3HG2 VAL 20 -2.379 -1.151 -6.715
159 HG22 VAL 20 1HG2 VAL 20 -2.558 0.317 -5.752
160 HG23 VAL 20 2HG2 VAL 20 -1.477 0.299 -7.144
161 H ALA 21 H ALA 21 -2.141 -2.422 -9.731
162 HA ALA 21 HA ALA 21 0.402 -1.085 -9.925
163 HB1 ALA 21 3HB ALA 21 1.001 -3.198 -11.298
164 HB2 ALA 21 1HB ALA 21 -0.649 -3.727 -10.971
165 HB3 ALA 21 2HB ALA 21 0.473 -3.458 -9.640
166 H ARG 22 H ARG 22 -2.349 -0.897 -11.863
167 HA ARG 22 HA ARG 22 -1.224 -0.829 -14.489
168 HB2 ARG 22 2HB ARG 22 -3.662 0.569 -13.325
169 HB3 ARG 22 3HB ARG 22 -3.250 0.598 -15.042
170 HG2 ARG 22 2HG ARG 22 -3.318 -1.824 -15.154
171 HG3 ARG 22 3HG ARG 22 -3.616 -1.927 -13.418
172 HD2 ARG 22 2HD ARG 22 -5.634 -2.064 -15.144
173 HD3 ARG 22 3HD ARG 22 -5.833 -1.238 -13.605
174 HE ARG 22 HE ARG 22 -5.104 0.852 -15.148
175 HH11 ARG 22 1HH2 ARG 22 -7.187 -1.827 -15.962
176 HH12 ARG 22 2HH2 ARG 22 -8.340 -0.830 -16.778
177 HH21 ARG 22 1HH1 ARG 22 -6.693 2.131 -16.186
178 HH22 ARG 22 2HH1 ARG 22 -8.069 1.363 -16.905
179 H ASP 23 H ASP 23 0.789 0.257 -14.103
180 HA ASP 23 HA ASP 23 0.751 3.024 -14.868
181 HB2 ASP 23 2HB ASP 23 0.144 3.352 -12.480
182 HB3 ASP 23 3HB ASP 23 1.580 2.450 -11.997
183 H SER 24 H SER 24 2.683 0.654 -13.026
184 HA SER 24 HA SER 24 4.671 0.452 -15.121
185 HB2 SER 24 2HB SER 24 5.284 2.672 -14.193
186 HB3 SER 24 3HB SER 24 5.468 1.942 -12.600
187 HG SER 24 HG SER 24 7.334 1.176 -13.198
188 H GLY 25 H GLY 25 3.690 -0.106 -11.793
189 HA2 GLY 25 2HA GLY 25 3.945 -2.808 -11.620
190 HA3 GLY 25 3HA GLY 25 5.624 -2.302 -11.399
191 H TRP 26 H TRP 26 5.763 -0.351 -9.763
192 HA TRP 26 HA TRP 26 5.086 -1.286 -7.195
193 HB2 TRP 26 2HB TRP 26 5.573 1.565 -8.122
194 HB3 TRP 26 3HB TRP 26 5.541 1.057 -6.434
195 HD1 TRP 26 HD1 TRP 26 7.646 0.879 -9.586
196 HE1 TRP 26 HE1 TRP 26 9.967 -0.074 -8.995
197 HE3 TRP 26 HE3 TRP 26 6.816 -0.519 -4.747
198 HZ2 TRP 26 HZ2 TRP 26 11.297 -1.271 -6.762
199 HZ3 TRP 26 HZ3 TRP 26 8.625 -1.559 -3.409
200 HH2 TRP 26 HH2 TRP 26 10.863 -1.937 -4.411
201 H ALA 27 H ALA 27 3.762 0.463 -5.693
202 HA ALA 27 HA ALA 27 1.224 1.302 -6.925
203 HB1 ALA 27 3HB ALA 27 1.403 -1.003 -4.960
204 HB2 ALA 27 1HB ALA 27 0.642 -0.997 -6.551
205 HB3 ALA 27 2HB ALA 27 -0.087 -0.094 -5.224
206 H GLU 28 H GLU 28 0.388 3.008 -5.777
207 HA GLU 28 HA GLU 28 1.958 4.115 -3.601
208 HB2 GLU 28 2HB GLU 28 -0.742 4.947 -4.712
209 HB3 GLU 28 3HB GLU 28 0.210 5.876 -3.559
210 HG2 GLU 28 2HG GLU 28 0.824 6.870 -5.607
211 HG3 GLU 28 3HG GLU 28 2.127 5.714 -5.356
212 H LEU 29 H LEU 29 1.651 3.859 -1.442
213 HA LEU 29 HA LEU 29 0.006 1.847 -0.371
214 HB2 LEU 29 2HB LEU 29 1.940 2.856 0.829
215 HB3 LEU 29 3HB LEU 29 1.029 4.347 1.024
216 HG LEU 29 HG LEU 29 -0.687 3.080 2.349
217 HD11 LEU 29 1HD1 LEU 29 0.212 0.807 3.264
218 HD12 LEU 29 2HD1 LEU 29 1.230 0.800 1.825
219 HD13 LEU 29 3HD1 LEU 29 -0.524 0.827 1.665
220 HD21 LEU 29 3HD2 LEU 29 0.654 2.945 4.369
221 HD22 LEU 29 1HD2 LEU 29 1.233 4.303 3.404
222 HD23 LEU 29 2HD2 LEU 29 2.133 2.786 3.425
223 H SER 30 H SER 30 -0.643 5.336 -0.710
224 HA SER 30 HA SER 30 -3.108 5.422 0.699
225 HB2 SER 30 2HB SER 30 -2.320 6.959 -1.795
226 HB3 SER 30 3HB SER 30 -3.624 7.392 -0.694
227 HG SER 30 HG SER 30 -0.962 7.834 -0.487
228 H ALA 31 H ALA 31 -2.423 4.603 -2.697
229 HA ALA 31 HA ALA 31 -5.150 4.216 -3.483
230 HB1 ALA 31 3HB ALA 31 -2.699 2.800 -4.572
231 HB2 ALA 31 1HB ALA 31 -3.223 4.409 -5.070
232 HB3 ALA 31 2HB ALA 31 -4.246 3.009 -5.393
233 H VAL 32 H VAL 32 -2.744 2.031 -2.044
234 HA VAL 32 HA VAL 32 -4.267 -0.375 -2.301
235 HB VAL 32 HB VAL 32 -2.220 0.450 -0.213
236 HG11 VAL 32 1HG1 VAL 32 -1.936 -2.072 0.034
237 HG12 VAL 32 2HG1 VAL 32 -3.447 -2.247 -0.857
238 HG13 VAL 32 3HG1 VAL 32 -3.431 -1.418 0.697
239 HG21 VAL 32 3HG2 VAL 32 -1.449 0.454 -2.584
240 HG22 VAL 32 1HG2 VAL 32 -1.942 -1.234 -2.722
241 HG23 VAL 32 2HG2 VAL 32 -0.644 -0.780 -1.616
242 H GLY 33 H GLY 33 -4.019 1.931 0.422
243 HA2 GLY 33 2HA GLY 33 -5.887 0.591 2.109
244 HA3 GLY 33 3HA GLY 33 -5.491 2.307 2.221
245 H SER 34 H SER 34 -6.382 3.207 -0.275
246 HA SER 34 HA SER 34 -9.217 3.423 0.200
247 HB2 SER 34 2HB SER 34 -9.247 4.650 -1.952
248 HB3 SER 34 3HB SER 34 -7.952 5.215 -0.902
249 HG SER 34 HG SER 34 -6.864 3.296 -2.209
250 H TYR 35 H TYR 35 -7.293 1.590 -2.172
251 HA TYR 35 HA TYR 35 -9.493 0.554 -3.663
252 HB2 TYR 35 2HB TYR 35 -7.172 0.372 -4.457
253 HB3 TYR 35 3HB TYR 35 -6.779 -0.690 -3.106
254 HD1 TYR 35 HD1 TYR 35 -8.585 -0.415 -6.315
255 HD2 TYR 35 HD2 TYR 35 -7.577 -3.010 -3.043
256 HE1 TYR 35 HE1 TYR 35 -9.358 -2.370 -7.626
257 HE2 TYR 35 HE2 TYR 35 -8.347 -4.967 -4.357
258 HH TYR 35 HH TYR 35 -8.626 -5.530 -6.815
259 H LEU 36 H LEU 36 -7.741 -0.834 -0.875
260 HA LEU 36 HA LEU 36 -9.343 -3.198 -0.688
261 HB2 LEU 36 2HB LEU 36 -7.786 -1.672 1.419
262 HB3 LEU 36 3HB LEU 36 -8.501 -3.260 1.694
263 HG LEU 36 HG LEU 36 -6.512 -2.685 -0.528
264 HD11 LEU 36 1HD1 LEU 36 -4.813 -3.728 0.910
265 HD12 LEU 36 2HD1 LEU 36 -5.995 -3.888 2.207
266 HD13 LEU 36 3HD1 LEU 36 -5.479 -2.288 1.677
267 HD21 LEU 36 3HD2 LEU 36 -7.619 -4.686 -1.109
268 HD22 LEU 36 1HD2 LEU 36 -7.794 -5.205 0.565
269 HD23 LEU 36 2HD2 LEU 36 -6.222 -5.281 -0.229
270 H ALA 37 H ALA 37 -9.664 0.018 0.771
271 HA ALA 37 HA ALA 37 -11.859 -0.516 2.476
272 HB1 ALA 37 3HB ALA 37 -11.410 2.007 0.855
273 HB2 ALA 37 1HB ALA 37 -10.600 1.643 2.379
274 HB3 ALA 37 2HB ALA 37 -12.350 1.865 2.340
275 H LYS 38 H LYS 38 -11.847 0.344 -0.994
276 HA LYS 38 HA LYS 38 -14.679 0.452 -1.314
277 HB2 LYS 38 2HB LYS 38 -12.885 1.186 -2.970
278 HB3 LYS 38 3HB LYS 38 -12.677 -0.510 -3.384
279 HG2 LYS 38 2HG LYS 38 -14.256 0.081 -5.004
280 HG3 LYS 38 3HG LYS 38 -15.337 -0.429 -3.713
281 HD2 LYS 38 2HD LYS 38 -16.273 1.649 -4.272
282 HD3 LYS 38 3HD LYS 38 -15.186 2.127 -2.969
283 HE2 LYS 38 2HE LYS 38 -13.442 2.675 -4.701
284 HE3 LYS 38 3HE LYS 38 -14.632 2.306 -5.948
285 HZ1 LYS 38 3HZ LYS 38 -15.700 4.072 -4.003
286 HZ2 LYS 38 1HZ LYS 38 -15.572 4.276 -5.682
287 HZ3 LYS 38 2HZ LYS 38 -14.275 4.711 -4.673
288 H ASN 39 H ASN 39 -12.389 -2.254 -1.735
289 HA ASN 39 HA ASN 39 -14.372 -4.196 -2.467
290 HB2 ASN 39 2HB ASN 39 -11.631 -4.495 -1.201
291 HB3 ASN 39 3HB ASN 39 -12.600 -5.855 -1.764
292 HD21 ASN 39 1HD2 ASN 39 -10.401 -3.391 -2.763
293 HD22 ASN 39 2HD2 ASN 39 -10.519 -3.658 -4.434
294 H ASP 40 H ASP 40 -13.013 -3.194 0.644
295 HA ASP 40 HA ASP 40 -15.253 -4.611 2.061
296 HB2 ASP 40 2HB ASP 40 -13.451 -4.989 3.918
297 HB3 ASP 40 3HB ASP 40 -13.434 -6.062 2.518
298 HA PRO 41 HA PRO 41 -15.075 -0.047 3.085
299 HB2 PRO 41 2HB PRO 41 -17.942 -0.744 3.711
300 HB3 PRO 41 3HB PRO 41 -17.293 0.670 2.845
301 HG2 PRO 41 2HG PRO 41 -18.467 -1.295 1.497
302 HG3 PRO 41 3HG PRO 41 -17.004 -0.520 0.857
303 HD2 PRO 41 2HD PRO 41 -17.267 -3.193 2.232
304 HD3 PRO 41 3HD PRO 41 -16.255 -2.745 0.839
305 H SER 42 H SER 42 -16.296 -2.854 4.803
306 HA SER 42 HA SER 42 -16.501 -1.629 7.395
307 HB2 SER 42 2HB SER 42 -15.903 -4.542 6.827
308 HB3 SER 42 3HB SER 42 -16.720 -3.864 8.234
309 HG SER 42 HG SER 42 -17.619 -4.150 5.581
310 H PHE 43 H PHE 43 -13.822 -2.263 5.469
311 HA PHE 43 HA PHE 43 -11.961 -2.805 7.720
312 HB2 PHE 43 2HB PHE 43 -11.762 -3.804 5.341
313 HB3 PHE 43 3HB PHE 43 -11.189 -2.213 4.846
314 HD1 PHE 43 HD1 PHE 43 -10.601 -4.745 7.569
315 HD2 PHE 43 HD2 PHE 43 -8.832 -1.853 4.921
316 HE1 PHE 43 HE1 PHE 43 -8.354 -5.347 8.411
317 HE2 PHE 43 HE2 PHE 43 -6.586 -2.464 5.766
318 HZ PHE 43 HZ PHE 43 -6.344 -4.205 7.515
319 H ASP 44 H ASP 44 -11.108 -1.206 8.839
320 HA ASP 44 HA ASP 44 -10.851 1.556 7.653
321 HB2 ASP 44 2HB ASP 44 -11.455 0.833 10.533
322 HB3 ASP 44 3HB ASP 44 -11.358 2.458 9.854
323 HA PRO 45 HA PRO 45 -6.733 0.112 9.223
324 HB2 PRO 45 2HB PRO 45 -5.222 0.937 7.046
325 HB3 PRO 45 3HB PRO 45 -5.966 -0.666 7.183
326 HG2 PRO 45 2HG PRO 45 -6.795 1.652 5.531
327 HG3 PRO 45 3HG PRO 45 -7.096 -0.074 5.276
328 HD2 PRO 45 2HD PRO 45 -8.958 1.822 6.294
329 HD3 PRO 45 3HD PRO 45 -9.163 0.061 6.305
330 H ARG 46 H ARG 46 -7.655 3.135 7.671
331 HA ARG 46 HA ARG 46 -5.521 4.753 8.698
332 HB2 ARG 46 2HB ARG 46 -8.382 5.451 7.968
333 HB3 ARG 46 3HB ARG 46 -7.181 6.658 8.417
334 HG2 ARG 46 2HG ARG 46 -5.774 6.065 6.524
335 HG3 ARG 46 3HG ARG 46 -6.824 4.705 6.131
336 HD2 ARG 46 2HD ARG 46 -8.701 6.250 5.698
337 HD3 ARG 46 3HD ARG 46 -7.696 7.613 6.162
338 HE ARG 46 HE ARG 46 -6.941 7.663 3.964
339 HH11 ARG 46 1HH2 ARG 46 -7.440 4.319 4.705
340 HH12 ARG 46 2HH2 ARG 46 -7.660 3.866 3.057
341 HH21 ARG 46 1HH1 ARG 46 -7.339 7.066 1.817
342 HH22 ARG 46 2HH1 ARG 46 -7.638 5.401 1.443
343 H ASN 47 H ASN 47 -8.755 3.969 9.988
344 HA ASN 47 HA ASN 47 -8.845 5.540 12.275
345 HB2 ASN 47 2HB ASN 47 -10.681 4.049 11.645
346 HB3 ASN 47 3HB ASN 47 -9.699 2.634 12.026
347 HD21 ASN 47 1HD2 ASN 47 -10.978 1.857 13.810
348 HD22 ASN 47 2HD2 ASN 47 -11.172 2.735 15.250
349 H TRP 48 H TRP 48 -6.860 2.680 11.756
350 HA TRP 48 HA TRP 48 -5.450 3.246 14.351
351 HB2 TRP 48 2HB TRP 48 -5.195 0.816 14.707
352 HB3 TRP 48 3HB TRP 48 -6.895 1.277 14.699
353 HD1 TRP 48 HD1 TRP 48 -8.311 0.701 12.488
354 HE1 TRP 48 HE1 TRP 48 -8.003 -1.168 10.739
355 HE3 TRP 48 HE3 TRP 48 -3.478 -0.639 13.465
356 HZ2 TRP 48 HZ2 TRP 48 -5.976 -2.981 9.864
357 HZ3 TRP 48 HZ3 TRP 48 -2.386 -2.437 12.158
358 HH2 TRP 48 HH2 TRP 48 -3.628 -3.612 10.362
359 H GLY 49 H GLY 49 -5.007 3.834 11.423
360 HA2 GLY 49 2HA GLY 49 -2.172 3.258 11.392
361 HA3 GLY 49 3HA GLY 49 -3.041 2.241 10.240
362 H HIS 50 H HIS 50 -3.261 5.674 11.228
363 HA HIS 50 HA HIS 50 -4.082 6.624 8.666
364 HB2 HIS 50 2HB HIS 50 -4.284 7.929 10.773
365 HB3 HIS 50 3HB HIS 50 -2.531 8.121 10.800
366 HD1 HIS 50 HD1 HIS 50 -1.465 9.635 8.950
367 HD2 HIS 50 HD2 HIS 50 -5.632 9.559 8.889
368 HE1 HIS 50 HE1 HIS 50 -2.194 11.549 7.462
369 H GLY 51 H GLY 51 -0.851 6.492 10.153
370 HA2 GLY 51 2HA GLY 51 0.371 6.563 7.405
371 HA3 GLY 51 3HA GLY 51 1.000 7.591 8.698
372 H ARG 52 H ARG 52 0.492 5.552 10.760
373 HA ARG 52 HA ARG 52 3.031 4.252 10.684
374 HB2 ARG 52 2HB ARG 52 1.506 4.754 12.733
375 HB3 ARG 52 3HB ARG 52 0.664 3.272 12.308
376 HG2 ARG 52 2HG ARG 52 2.220 2.325 13.733
377 HG3 ARG 52 3HG ARG 52 3.194 2.296 12.275
378 HD2 ARG 52 2HD ARG 52 3.513 3.962 14.736
379 HD3 ARG 52 3HD ARG 52 4.739 3.340 13.635
380 HE ARG 52 HE ARG 52 3.098 5.578 12.607
381 HH11 ARG 52 1HH2 ARG 52 6.051 4.486 14.056
382 HH12 ARG 52 2HH2 ARG 52 6.888 5.969 13.747
383 HH21 ARG 52 1HH1 ARG 52 4.170 7.517 12.275
384 HH22 ARG 52 2HH1 ARG 52 5.826 7.681 12.752
385 H LEU 53 H LEU 53 0.291 3.604 8.893
386 HA LEU 53 HA LEU 53 0.179 0.750 8.878
387 HB2 LEU 53 2HB LEU 53 -1.552 2.222 7.848
388 HB3 LEU 53 3HB LEU 53 -0.394 2.694 6.613
389 HG LEU 53 HG LEU 53 -0.249 0.304 5.881
390 HD11 LEU 53 1HD1 LEU 53 -2.285 -0.047 8.091
391 HD12 LEU 53 2HD1 LEU 53 -0.852 -1.013 7.740
392 HD13 LEU 53 3HD1 LEU 53 -2.267 -1.139 6.704
393 HD21 LEU 53 3HD2 LEU 53 -2.455 0.273 4.786
394 HD22 LEU 53 1HD2 LEU 53 -1.782 1.903 4.785
395 HD23 LEU 53 2HD2 LEU 53 -3.049 1.473 5.935
396 H SER 54 H SER 54 2.141 3.069 7.053
397 HA SER 54 HA SER 54 3.366 1.252 5.242
398 HB2 SER 54 2HB SER 54 3.583 3.723 5.098
399 HB3 SER 54 3HB SER 54 4.585 3.707 6.545
400 HG SER 54 HG SER 54 5.114 2.470 4.045
401 H GLN 55 H GLN 55 4.226 2.147 8.574
402 HA GLN 55 HA GLN 55 6.635 0.504 8.594
403 HB2 GLN 55 2HB GLN 55 5.037 1.615 10.920
404 HB3 GLN 55 3HB GLN 55 6.678 0.979 10.996
405 HG2 GLN 55 2HG GLN 55 5.855 3.342 9.285
406 HG3 GLN 55 3HG GLN 55 6.589 3.485 10.883
407 HE21 GLN 55 1HE2 GLN 55 8.866 3.188 11.050
408 HE22 GLN 55 2HE2 GLN 55 9.860 2.843 9.719
409 H MET 56 H MET 56 3.229 -0.050 9.303
410 HA MET 56 HA MET 56 3.563 -2.418 10.895
411 HB2 MET 56 2HB MET 56 1.312 -1.398 9.139
412 HB3 MET 56 3HB MET 56 1.182 -2.932 9.999
413 HG2 MET 56 2HG MET 56 1.858 -0.324 11.388
414 HG3 MET 56 3HG MET 56 0.211 -0.930 11.224
415 HE1 MET 56 3HE MET 56 2.217 -0.483 14.113
416 HE2 MET 56 1HE MET 56 1.030 -1.511 14.928
417 HE3 MET 56 2HE MET 56 0.508 -0.353 13.708
418 H VAL 57 H VAL 57 3.200 -1.961 7.376
419 HA VAL 57 HA VAL 57 3.288 -4.785 6.765
420 HB VAL 57 HB VAL 57 3.806 -3.948 4.418
421 HG11 VAL 57 1HG1 VAL 57 1.493 -4.283 5.120
422 HG12 VAL 57 2HG1 VAL 57 1.595 -2.806 4.161
423 HG13 VAL 57 3HG1 VAL 57 1.477 -2.710 5.917
424 HG21 VAL 57 3HG2 VAL 57 3.782 -1.555 4.022
425 HG22 VAL 57 1HG2 VAL 57 5.019 -1.886 5.229
426 HG23 VAL 57 2HG2 VAL 57 3.459 -1.226 5.719
427 H LYS 58 H LYS 58 5.697 -2.413 7.487
428 HA LYS 58 HA LYS 58 7.952 -3.583 6.177
429 HB2 LYS 58 2HB LYS 58 7.885 -1.303 7.243
430 HB3 LYS 58 3HB LYS 58 7.945 -2.091 8.818
431 HG2 LYS 58 2HG LYS 58 10.093 -3.130 8.244
432 HG3 LYS 58 3HG LYS 58 10.026 -2.404 6.638
433 HD2 LYS 58 2HD LYS 58 10.030 -0.152 7.654
434 HD3 LYS 58 3HD LYS 58 10.112 -0.878 9.260
435 HE2 LYS 58 2HE LYS 58 12.355 -0.219 8.537
436 HE3 LYS 58 3HE LYS 58 12.249 -1.976 8.628
437 HZ1 LYS 58 3HZ LYS 58 13.317 -1.201 6.576
438 HZ2 LYS 58 1HZ LYS 58 11.896 -0.381 6.146
439 HZ3 LYS 58 2HZ LYS 58 11.895 -2.076 6.264
440 H LYS 59 H LYS 59 6.289 -4.357 9.172
441 HA LYS 59 HA LYS 59 8.310 -6.020 10.338
442 HB2 LYS 59 2HB LYS 59 6.245 -5.172 11.484
443 HB3 LYS 59 3HB LYS 59 5.301 -6.337 10.561
444 HG2 LYS 59 2HG LYS 59 6.681 -8.179 11.513
445 HG3 LYS 59 3HG LYS 59 7.551 -6.996 12.487
446 HD2 LYS 59 2HD LYS 59 4.540 -7.359 12.616
447 HD3 LYS 59 3HD LYS 59 5.653 -8.206 13.683
448 HE2 LYS 59 2HE LYS 59 6.567 -5.881 14.321
449 HE3 LYS 59 3HE LYS 59 5.136 -5.229 13.525
450 HZ1 LYS 59 3HZ LYS 59 3.869 -6.882 14.975
451 HZ2 LYS 59 1HZ LYS 59 4.475 -5.475 15.707
452 HZ3 LYS 59 2HZ LYS 59 5.289 -6.953 15.907
453 H LEU 60 H LEU 60 5.832 -6.606 7.904
454 HA LEU 60 HA LEU 60 6.187 -9.493 7.827
455 HB2 LEU 60 2HB LEU 60 5.047 -7.629 5.729
456 HB3 LEU 60 3HB LEU 60 4.780 -9.368 5.831
457 HG LEU 60 HG LEU 60 3.929 -7.323 7.910
458 HD11 LEU 60 1HD1 LEU 60 1.634 -7.879 7.133
459 HD12 LEU 60 2HD1 LEU 60 2.327 -8.881 5.859
460 HD13 LEU 60 3HD1 LEU 60 2.608 -7.140 5.863
461 HD21 LEU 60 3HD2 LEU 60 4.248 -9.332 9.119
462 HD22 LEU 60 1HD2 LEU 60 3.713 -10.344 7.778
463 HD23 LEU 60 2HD2 LEU 60 2.543 -9.399 8.699
464 H ASP 61 H ASP 61 8.010 -10.415 7.111
465 HA ASP 61 HA ASP 61 10.060 -9.059 5.659
466 HB2 ASP 61 2HB ASP 61 9.518 -11.997 6.151
467 HB3 ASP 61 3HB ASP 61 10.977 -11.416 5.351
468 H PHE 62 H PHE 62 7.507 -11.303 4.502
469 HA PHE 62 HA PHE 62 8.567 -11.410 1.817
470 HB2 PHE 62 2HB PHE 62 6.467 -12.482 1.208
471 HB3 PHE 62 3HB PHE 62 7.059 -13.141 2.732
472 HD1 PHE 62 HD1 PHE 62 5.983 -12.536 4.878
473 HD2 PHE 62 HD2 PHE 62 4.437 -11.124 1.123
474 HE1 PHE 62 HE1 PHE 62 3.850 -11.933 5.984
475 HE2 PHE 62 HE2 PHE 62 2.303 -10.517 2.234
476 HZ PHE 62 HZ PHE 62 2.007 -10.927 4.664
477 H LEU 63 H LEU 63 7.888 -8.678 3.096
478 HA LEU 63 HA LEU 63 6.592 -7.542 0.647
479 HB2 LEU 63 2HB LEU 63 5.797 -7.132 3.531
480 HB3 LEU 63 3HB LEU 63 5.494 -5.852 2.361
481 HG LEU 63 HG LEU 63 4.585 -8.674 1.712
482 HD11 LEU 63 1HD1 LEU 63 2.367 -8.120 2.765
483 HD12 LEU 63 2HD1 LEU 63 3.137 -6.730 3.535
484 HD13 LEU 63 3HD1 LEU 63 3.669 -8.363 3.928
485 HD21 LEU 63 3HD2 LEU 63 3.383 -5.943 1.132
486 HD22 LEU 63 1HD2 LEU 63 2.862 -7.481 0.446
487 HD23 LEU 63 2HD2 LEU 63 4.438 -6.819 0.027
488 H THR 64 H THR 64 7.930 -6.092 -0.213
489 HA THR 64 HA THR 64 10.122 -4.928 1.421
490 HB THR 64 HB THR 64 9.522 -4.729 -1.557
491 HG1 THR 64 HG1 THR 64 11.357 -6.296 -0.063
492 HG21 THR 64 3HG2 THR 64 10.850 -2.838 -0.856
493 HG22 THR 64 1HG2 THR 64 11.930 -3.990 -1.636
494 HG23 THR 64 2HG2 THR 64 11.896 -3.867 0.122
495 H VAL 65 H VAL 65 10.174 -2.758 1.979
496 HA VAL 65 HA VAL 65 7.847 -1.037 1.131
497 HB VAL 65 HB VAL 65 9.463 -0.936 3.702
498 HG11 VAL 65 1HG1 VAL 65 7.599 0.640 4.380
499 HG12 VAL 65 2HG1 VAL 65 7.065 0.634 2.699
500 HG13 VAL 65 3HG1 VAL 65 8.654 1.275 3.119
501 HG21 VAL 65 3HG2 VAL 65 7.994 -2.914 3.585
502 HG22 VAL 65 1HG2 VAL 65 6.631 -1.884 3.146
503 HG23 VAL 65 2HG2 VAL 65 7.363 -1.742 4.744
504 H GLN 66 H GLN 66 8.372 0.749 0.014
505 HA GLN 66 HA GLN 66 10.999 2.084 0.427
506 HB2 GLN 66 2HB GLN 66 9.996 1.033 -2.243
507 HB3 GLN 66 3HB GLN 66 11.246 2.271 -2.108
508 HG2 GLN 66 2HG GLN 66 12.619 0.725 -0.747
509 HG3 GLN 66 3HG GLN 66 11.381 -0.514 -0.918
510 HE21 GLN 66 1HE2 GLN 66 11.047 0.782 -3.820
511 HE22 GLN 66 2HE2 GLN 66 12.256 -0.024 -4.697
512 H GLU 67 H GLU 67 10.895 4.307 -0.032
513 HA GLU 67 HA GLU 67 8.140 5.417 -0.286
514 HB2 GLU 67 2HB GLU 67 10.787 6.745 0.414
515 HB3 GLU 67 3HB GLU 67 9.207 7.525 0.440
516 HG2 GLU 67 2HG GLU 67 9.493 6.917 2.700
517 HG3 GLU 67 3HG GLU 67 8.527 5.579 2.082
518 H SER 68 H SER 68 7.635 6.942 -1.925
519 HA SER 68 HA SER 68 9.632 7.231 -4.163
520 HB2 SER 68 2HB SER 68 7.928 5.611 -4.815
521 HB3 SER 68 3HB SER 68 6.648 6.727 -4.346
522 HG SER 68 HG SER 68 7.654 6.551 -6.685
523 H ARG 69 H ARG 69 9.779 9.240 -5.038
524 HA ARG 69 HA ARG 69 8.577 11.455 -3.575
525 HB2 ARG 69 2HB ARG 69 10.371 11.344 -6.032
526 HB3 ARG 69 3HB ARG 69 9.904 12.851 -5.243
527 HG2 ARG 69 2HG ARG 69 11.207 10.604 -3.721
528 HG3 ARG 69 3HG ARG 69 12.197 11.778 -4.573
529 HD2 ARG 69 2HD ARG 69 11.236 13.605 -3.259
530 HD3 ARG 69 3HD ARG 69 10.118 12.525 -2.481
531 HE ARG 69 HE ARG 69 12.334 13.177 -1.224
532 HH11 ARG 69 1HH2 ARG 69 12.589 10.196 -3.003
533 HH12 ARG 69 2HH2 ARG 69 12.719 9.237 -1.570
534 HH21 ARG 69 1HH1 ARG 69 12.571 11.881 0.597
535 HH22 ARG 69 2HH1 ARG 69 12.748 10.168 0.409
536 H ASN 70 H ASN 70 6.787 12.591 -4.084
537 HA ASN 70 HA ASN 70 5.647 12.488 -6.833
538 HB2 ASN 70 2HB ASN 70 4.682 10.550 -5.569
539 HB3 ASN 70 3HB ASN 70 4.055 11.687 -4.376
540 HD21 ASN 70 1HD2 ASN 70 2.550 9.909 -6.342
541 HD22 ASN 70 2HD2 ASN 70 1.554 10.975 -7.211
542 H GLY 71 H GLY 71 5.746 14.707 -7.099
543 HA2 GLY 71 2HA GLY 71 5.130 16.953 -6.836
544 HA3 GLY 71 3HA GLY 71 3.708 16.335 -5.996
545 H SER 72 H SER 72 3.668 17.805 -4.300
546 HA SER 72 HA SER 72 6.106 18.347 -2.726
547 HB2 SER 72 2HB SER 72 4.411 20.120 -3.159
548 HB3 SER 72 3HB SER 72 3.244 19.201 -2.212
549 HG SER 72 HG SER 72 4.466 19.509 -0.411
550 H LYS 73 H LYS 73 4.038 15.774 -2.815
551 HA LYS 73 HA LYS 73 4.578 15.119 0.051
552 HB2 LYS 73 2HB LYS 73 2.254 15.937 -0.066
553 HB3 LYS 73 3HB LYS 73 1.909 14.806 -1.367
554 HG2 LYS 73 2HG LYS 73 1.050 13.926 0.737
555 HG3 LYS 73 3HG LYS 73 2.374 12.908 0.189
556 HD2 LYS 73 2HD LYS 73 3.887 13.818 1.807
557 HD3 LYS 73 3HD LYS 73 2.816 15.178 2.151
558 HE2 LYS 73 2HE LYS 73 1.169 13.626 3.130
559 HE3 LYS 73 3HE LYS 73 2.232 12.264 2.769
560 HZ1 LYS 73 3HZ LYS 73 2.411 14.243 4.867
561 HZ2 LYS 73 1HZ LYS 73 3.880 13.917 4.083
562 HZ3 LYS 73 2HZ LYS 73 3.010 12.654 4.815
563 H LEU 74 H LEU 74 5.758 13.313 0.014
564 HA LEU 74 HA LEU 74 5.827 11.525 -2.288
565 HB2 LEU 74 2HB LEU 74 7.219 10.076 -0.550
566 HB3 LEU 74 3HB LEU 74 7.907 11.561 -1.197
567 HG LEU 74 HG LEU 74 7.270 12.799 0.797
568 HD11 LEU 74 1HD1 LEU 74 6.309 11.438 2.764
569 HD12 LEU 74 2HD1 LEU 74 5.883 10.216 1.567
570 HD13 LEU 74 3HD1 LEU 74 5.197 11.836 1.464
571 HD21 LEU 74 3HD2 LEU 74 8.546 10.146 1.539
572 HD22 LEU 74 1HD2 LEU 74 8.692 11.655 2.439
573 HD23 LEU 74 2HD2 LEU 74 9.396 11.518 0.828
574 H HIS 75 H HIS 75 5.589 9.039 -1.767
575 HA HIS 75 HA HIS 75 3.299 8.491 0.064
576 HB2 HIS 75 2HB HIS 75 3.299 7.873 -2.910
577 HB3 HIS 75 3HB HIS 75 2.105 7.277 -1.755
578 HD1 HIS 75 HD1 HIS 75 3.012 10.242 -3.768
579 HD2 HIS 75 HD2 HIS 75 0.498 9.409 -0.546
580 HE1 HIS 75 HE1 HIS 75 1.453 12.225 -3.544
581 H SER 76 H SER 76 3.429 6.492 0.966
582 HA SER 76 HA SER 76 5.861 4.964 0.642
583 HB2 SER 76 2HB SER 76 4.795 4.925 2.796
584 HB3 SER 76 3HB SER 76 3.260 4.429 2.097
585 HG SER 76 HG SER 76 5.682 2.941 2.135
586 H GLU 77 H GLU 77 6.077 2.864 -0.253
587 HA GLU 77 HA GLU 77 3.844 1.859 -1.991
588 HB2 GLU 77 2HB GLU 77 6.751 2.246 -2.780
589 HB3 GLU 77 3HB GLU 77 5.583 1.317 -3.723
590 HG2 GLU 77 2HG GLU 77 4.169 3.301 -3.971
591 HG3 GLU 77 3HG GLU 77 5.281 4.243 -2.979
592 H ILE 78 H ILE 78 3.884 -0.400 -2.296
593 HA ILE 78 HA ILE 78 5.856 -1.959 -0.655
594 HB ILE 78 HB ILE 78 3.909 -3.444 -0.010
595 HG12 ILE 78 2HG1 ILE 78 2.266 -1.074 -0.969
596 HG13 ILE 78 3HG1 ILE 78 2.393 -2.598 -1.843
597 HG21 ILE 78 1HG2 ILE 78 3.142 -1.974 1.780
598 HG22 ILE 78 2HG2 ILE 78 3.697 -0.555 0.893
599 HG23 ILE 78 3HG2 ILE 78 4.866 -1.720 1.516
600 HD11 ILE 78 3HD1 ILE 78 1.224 -2.155 0.917
601 HD12 ILE 78 1HD1 ILE 78 1.555 -3.758 0.260
602 HD13 ILE 78 2HD1 ILE 78 0.377 -2.707 -0.527
603 H ARG 79 H ARG 79 6.229 -4.099 -1.423
604 HA ARG 79 HA ARG 79 4.943 -4.919 -3.968
605 HB2 ARG 79 2HB ARG 79 6.914 -3.456 -4.568
606 HB3 ARG 79 3HB ARG 79 7.960 -4.619 -3.751
607 HG2 ARG 79 2HG ARG 79 7.201 -6.396 -5.261
608 HG3 ARG 79 3HG ARG 79 6.097 -5.271 -6.052
609 HD2 ARG 79 2HD ARG 79 7.991 -5.316 -7.482
610 HD3 ARG 79 3HD ARG 79 8.210 -3.841 -6.550
611 HE ARG 79 HE ARG 79 9.532 -6.188 -5.394
612 HH11 ARG 79 1HH2 ARG 79 9.736 -3.464 -7.516
613 HH12 ARG 79 2HH2 ARG 79 11.466 -3.510 -7.609
614 HH21 ARG 79 1HH1 ARG 79 11.779 -6.277 -5.556
615 HH22 ARG 79 2HH1 ARG 79 12.616 -5.099 -6.510
616 H LEU 80 H LEU 80 5.277 -7.187 -4.386
617 HA LEU 80 HA LEU 80 5.750 -8.759 -1.952
618 HB2 LEU 80 2HB LEU 80 5.268 -9.759 -4.777
619 HB3 LEU 80 3HB LEU 80 5.009 -10.641 -3.273
620 HG LEU 80 HG LEU 80 3.498 -8.161 -4.155
621 HD11 LEU 80 1HD1 LEU 80 2.509 -11.012 -3.876
622 HD12 LEU 80 2HD1 LEU 80 3.000 -10.290 -5.411
623 HD13 LEU 80 3HD1 LEU 80 1.626 -9.632 -4.528
624 HD21 LEU 80 3HD2 LEU 80 1.994 -8.934 -2.164
625 HD22 LEU 80 1HD2 LEU 80 3.489 -8.084 -1.791
626 HD23 LEU 80 2HD2 LEU 80 3.413 -9.839 -1.632
627 H ARG 81 H ARG 81 7.829 -9.041 -1.371
628 HA ARG 81 HA ARG 81 10.052 -8.986 -3.202
629 HB2 ARG 81 2HB ARG 81 10.090 -8.449 -0.707
630 HB3 ARG 81 3HB ARG 81 10.028 -10.184 -0.412
631 HG2 ARG 81 2HG ARG 81 12.104 -10.487 -1.707
632 HG3 ARG 81 3HG ARG 81 12.161 -8.757 -2.033
633 HD2 ARG 81 2HD ARG 81 13.636 -9.490 -0.130
634 HD3 ARG 81 3HD ARG 81 12.455 -8.259 0.315
635 HE ARG 81 HE ARG 81 11.224 -10.720 0.859
636 HH11 ARG 81 1HH2 ARG 81 14.086 -9.024 1.770
637 HH12 ARG 81 2HH2 ARG 81 14.110 -9.674 3.375
638 HH21 ARG 81 1HH1 ARG 81 11.236 -11.558 2.933
639 HH22 ARG 81 2HH1 ARG 81 12.494 -11.108 4.036
640 H HIS 82 H HIS 82 7.814 -11.439 -2.373
641 HA HIS 82 HA HIS 82 7.722 -13.736 -2.848
642 HB2 HIS 82 2HB HIS 82 8.066 -12.809 -5.153
643 HB3 HIS 82 3HB HIS 82 9.801 -13.016 -4.939
644 HD1 HIS 82 HD1 HIS 82 6.639 -15.145 -4.782
645 HD2 HIS 82 HD2 HIS 82 10.696 -15.518 -5.669
646 HE1 HIS 82 HE1 HIS 82 6.981 -17.521 -5.593
647 H ASP 83 H ASP 83 8.757 -14.163 -0.753
648 HA ASP 83 HA ASP 83 11.646 -14.537 -0.600
649 HB2 ASP 83 2HB ASP 83 10.188 -13.934 1.365
650 HB3 ASP 83 3HB ASP 83 9.505 -15.558 1.296
651 H GLY 84 H GLY 84 9.285 -16.299 -2.119
652 HA2 GLY 84 2HA GLY 84 9.657 -18.983 -1.416
653 HA3 GLY 84 3HA GLY 84 9.336 -18.453 -3.067
654 H LEU 85 H LEU 85 11.232 -17.845 -4.388
655 HA LEU 85 HA LEU 85 13.320 -18.404 -5.308
656 HB2 LEU 85 2HB LEU 85 14.206 -18.241 -2.411
657 HB3 LEU 85 3HB LEU 85 15.224 -18.030 -3.830
658 HG LEU 85 HG LEU 85 12.902 -16.239 -3.061
659 HD11 LEU 85 1HD1 LEU 85 15.897 -15.766 -2.900
660 HD12 LEU 85 2HD1 LEU 85 14.842 -16.085 -1.522
661 HD13 LEU 85 3HD1 LEU 85 14.639 -14.609 -2.465
662 HD21 LEU 85 3HD2 LEU 85 14.095 -14.731 -4.824
663 HD22 LEU 85 1HD2 LEU 85 13.118 -16.068 -5.421
664 HD23 LEU 85 2HD2 LEU 85 14.874 -16.217 -5.368
665 H GLU 86 H GLU 86 15.006 -19.884 -2.889
666 HA GLU 86 HA GLU 86 14.681 -22.528 -4.098
667 HB2 GLU 86 2HB GLU 86 16.392 -23.212 -2.432
668 HB3 GLU 86 3HB GLU 86 16.894 -21.799 -3.358
669 HG2 GLU 86 2HG GLU 86 16.075 -20.347 -1.479
670 HG3 GLU 86 3HG GLU 86 15.749 -21.809 -0.549
671 H HIS 87 H HIS 87 13.007 -20.846 -1.726
672 HA HIS 87 HA HIS 87 11.535 -21.505 -0.023
673 HB2 HIS 87 2HB HIS 87 10.447 -22.476 -2.034
674 HB3 HIS 87 3HB HIS 87 11.340 -23.973 -1.765
675 HD1 HIS 87 HD1 HIS 87 10.649 -25.439 0.266
676 HD2 HIS 87 HD2 HIS 87 8.310 -22.022 -0.218
677 HE1 HIS 87 HE1 HIS 87 8.639 -25.725 1.781
678 H HIS 88 H HIS 88 12.985 -21.757 1.713
679 HA HIS 88 HA HIS 88 13.216 -24.441 2.783
680 HB2 HIS 88 2HB HIS 88 15.099 -24.476 1.161
681 HB3 HIS 88 3HB HIS 88 15.780 -23.050 1.941
682 HD1 HIS 88 HD1 HIS 88 17.419 -23.532 3.754
683 HD2 HIS 88 HD2 HIS 88 14.787 -26.716 3.189
684 HE1 HIS 88 HE1 HIS 88 18.163 -25.365 5.338
685 H HIS 89 H HIS 89 12.132 -23.324 4.524
686 HA HIS 89 HA HIS 89 14.010 -21.972 6.377
687 HB2 HIS 89 2HB HIS 89 11.447 -20.679 5.391
688 HB3 HIS 89 3HB HIS 89 12.419 -20.085 6.737
689 HD1 HIS 89 HD1 HIS 89 12.358 -20.326 3.007
690 HD2 HIS 89 HD2 HIS 89 14.952 -18.967 5.972
691 HE1 HIS 89 HE1 HIS 89 14.164 -19.002 1.825
692 H HIS 90 H HIS 90 13.440 -22.309 8.524
693 HA HIS 90 HA HIS 90 11.255 -24.262 9.005
694 HB2 HIS 90 2HB HIS 90 13.423 -23.142 10.813
695 HB3 HIS 90 3HB HIS 90 12.249 -24.369 11.293
696 HD1 HIS 90 HD1 HIS 90 12.249 -26.582 9.644
697 HD2 HIS 90 HD2 HIS 90 15.687 -24.224 9.638
698 HE1 HIS 90 HE1 HIS 90 14.091 -28.005 8.646
699 H HIS 91 H HIS 91 9.280 -23.505 9.527
700 HA HIS 91 HA HIS 91 8.759 -20.771 10.231
701 HB2 HIS 91 2HB HIS 91 7.094 -22.271 9.151
702 HB3 HIS 91 3HB HIS 91 6.995 -23.199 10.647
703 HD1 HIS 91 HD1 HIS 91 5.810 -22.094 12.674
704 HD2 HIS 91 HD2 HIS 91 5.837 -19.715 9.251
705 HE1 HIS 91 HE1 HIS 91 4.180 -20.205 13.103
706 H HIS 92 H HIS 92 8.904 -23.747 12.167
707 HA HIS 92 HA HIS 92 8.276 -22.421 14.668
708 HB2 HIS 92 2HB HIS 92 9.621 -25.083 14.100
709 HB3 HIS 92 3HB HIS 92 9.086 -24.550 15.694
710 HD1 HIS 92 HD1 HIS 92 7.767 -25.617 12.332
711 HD2 HIS 92 HD2 HIS 92 6.282 -24.647 16.105
712 HE1 HIS 92 HE1 HIS 92 5.318 -26.261 12.324
Start of MODEL 20
1 H1 MET 1 1H MET 1 -14.501 -23.841 3.301
2 H2 MET 1 2H MET 1 -15.113 -23.624 4.871
3 H3 MET 1 3H MET 1 -13.999 -22.513 4.229
4 HA MET 1 HA MET 1 -16.140 -22.667 2.451
5 HB2 MET 1 2HB MET 1 -16.847 -22.549 5.391
6 HB3 MET 1 3HB MET 1 -17.845 -21.682 4.231
7 HG2 MET 1 2HG MET 1 -18.724 -23.959 4.691
8 HG3 MET 1 3HG MET 1 -18.266 -23.766 3.001
9 HE1 MET 1 3HE MET 1 -18.732 -26.581 4.432
10 HE2 MET 1 1HE MET 1 -17.441 -27.467 3.609
11 HE3 MET 1 2HE MET 1 -18.390 -26.268 2.732
12 HA PRO 2 HA PRO 2 -14.603 -18.498 2.326
13 HB2 PRO 2 2HB PRO 2 -16.735 -17.097 1.274
14 HB3 PRO 2 3HB PRO 2 -15.741 -18.212 0.314
15 HG2 PRO 2 2HG PRO 2 -18.386 -18.727 1.646
16 HG3 PRO 2 3HG PRO 2 -17.865 -19.139 -0.001
17 HD2 PRO 2 2HD PRO 2 -17.842 -20.994 1.965
18 HD3 PRO 2 3HD PRO 2 -16.570 -20.964 0.722
19 H HIS 3 H HIS 3 -14.681 -16.475 3.445
20 HA HIS 3 HA HIS 3 -16.891 -15.921 5.327
21 HB2 HIS 3 2HB HIS 3 -15.304 -15.788 7.267
22 HB3 HIS 3 3HB HIS 3 -15.523 -17.431 6.663
23 HD1 HIS 3 HD1 HIS 3 -13.102 -14.512 6.215
24 HD2 HIS 3 HD2 HIS 3 -13.142 -18.675 5.994
25 HE1 HIS 3 HE1 HIS 3 -10.708 -15.232 5.798
26 H LYS 4 H LYS 4 -16.843 -13.741 6.074
27 HA LYS 4 HA LYS 4 -15.259 -11.917 4.357
28 HB2 LYS 4 2HB LYS 4 -17.438 -11.404 6.402
29 HB3 LYS 4 3HB LYS 4 -16.659 -10.148 5.438
30 HG2 LYS 4 2HG LYS 4 -17.406 -11.252 3.372
31 HG3 LYS 4 3HG LYS 4 -18.165 -12.531 4.319
32 HD2 LYS 4 2HD LYS 4 -19.622 -10.841 5.404
33 HD3 LYS 4 3HD LYS 4 -18.896 -9.588 4.396
34 HE2 LYS 4 2HE LYS 4 -20.392 -12.021 3.374
35 HE3 LYS 4 3HE LYS 4 -21.025 -10.375 3.427
36 HZ1 LYS 4 3HZ LYS 4 -19.181 -11.576 1.571
37 HZ2 LYS 4 1HZ LYS 4 -18.667 -10.069 2.154
38 HZ3 LYS 4 2HZ LYS 4 -20.175 -10.211 1.385
39 H GLU 5 H GLU 5 -14.636 -13.472 7.193
40 HA GLU 5 HA GLU 5 -13.701 -11.483 8.980
41 HB2 GLU 5 2HB GLU 5 -12.626 -14.264 8.402
42 HB3 GLU 5 3HB GLU 5 -12.107 -13.276 9.769
43 HG2 GLU 5 2HG GLU 5 -14.400 -13.193 10.624
44 HG3 GLU 5 3HG GLU 5 -14.976 -14.100 9.225
45 H LYS 6 H LYS 6 -11.028 -11.594 9.374
46 HA LYS 6 HA LYS 6 -9.984 -10.010 7.181
47 HB2 LYS 6 2HB LYS 6 -9.399 -10.106 9.815
48 HB3 LYS 6 3HB LYS 6 -8.149 -11.206 9.259
49 HG2 LYS 6 2HG LYS 6 -8.575 -8.369 8.258
50 HG3 LYS 6 3HG LYS 6 -7.320 -8.881 9.380
51 HD2 LYS 6 2HD LYS 6 -6.412 -10.405 7.636
52 HD3 LYS 6 3HD LYS 6 -7.633 -9.806 6.513
53 HE2 LYS 6 2HE LYS 6 -6.756 -7.529 6.723
54 HE3 LYS 6 3HE LYS 6 -5.547 -8.088 7.878
55 HZ1 LYS 6 3HZ LYS 6 -5.116 -9.763 5.860
56 HZ2 LYS 6 1HZ LYS 6 -4.304 -8.285 6.029
57 HZ3 LYS 6 2HZ LYS 6 -5.646 -8.402 4.991
58 H HIS 7 H HIS 7 -9.218 -10.873 5.324
59 HA HIS 7 HA HIS 7 -8.749 -13.720 5.042
60 HB2 HIS 7 2HB HIS 7 -7.731 -11.982 2.838
61 HB3 HIS 7 3HB HIS 7 -8.915 -13.287 2.772
62 HD1 HIS 7 HD1 HIS 7 -11.392 -12.627 2.875
63 HD2 HIS 7 HD2 HIS 7 -8.826 -9.415 3.567
64 HE1 HIS 7 HE1 HIS 7 -12.836 -10.543 2.887
65 HA PRO 8 HA PRO 8 -4.369 -14.116 5.585
66 HB2 PRO 8 2HB PRO 8 -3.750 -14.490 2.668
67 HB3 PRO 8 3HB PRO 8 -3.415 -15.577 4.034
68 HG2 PRO 8 2HG PRO 8 -5.376 -16.114 2.291
69 HG3 PRO 8 3HG PRO 8 -5.562 -16.466 4.023
70 HD2 PRO 8 2HD PRO 8 -6.723 -14.183 2.434
71 HD3 PRO 8 3HD PRO 8 -7.462 -15.139 3.735
72 H LEU 9 H LEU 9 -2.522 -12.800 5.699
73 HA LEU 9 HA LEU 9 -2.752 -10.087 4.803
74 HB2 LEU 9 2HB LEU 9 -0.198 -11.516 5.609
75 HB3 LEU 9 3HB LEU 9 -0.518 -9.785 5.690
76 HG LEU 9 HG LEU 9 -1.985 -11.911 7.285
77 HD11 LEU 9 1HD1 LEU 9 -0.739 -11.077 9.201
78 HD12 LEU 9 2HD1 LEU 9 0.043 -9.851 8.204
79 HD13 LEU 9 3HD1 LEU 9 0.403 -11.559 7.947
80 HD21 LEU 9 3HD2 LEU 9 -3.500 -10.097 7.033
81 HD22 LEU 9 1HD2 LEU 9 -2.219 -8.890 7.132
82 HD23 LEU 9 2HD2 LEU 9 -2.721 -9.772 8.576
83 H GLN 10 H GLN 10 -0.895 -12.854 3.562
84 HA GLN 10 HA GLN 10 0.464 -11.414 1.488
85 HB2 GLN 10 2HB GLN 10 1.100 -13.691 2.285
86 HB3 GLN 10 3HB GLN 10 -0.357 -14.337 1.529
87 HG2 GLN 10 2HG GLN 10 0.417 -13.625 -0.672
88 HG3 GLN 10 3HG GLN 10 1.818 -12.839 0.050
89 HE21 GLN 10 1HE2 GLN 10 3.673 -14.085 -0.098
90 HE22 GLN 10 2HE2 GLN 10 3.717 -15.782 -0.105
91 H ASP 11 H ASP 11 -2.567 -13.281 1.472
92 HA ASP 11 HA ASP 11 -3.149 -12.841 -1.305
93 HB2 ASP 11 2HB ASP 11 -4.214 -14.594 0.143
94 HB3 ASP 11 3HB ASP 11 -5.103 -13.313 0.958
95 H MET 12 H MET 12 -3.588 -10.929 1.584
96 HA MET 12 HA MET 12 -5.582 -9.126 0.582
97 HB2 MET 12 2HB MET 12 -4.910 -9.438 3.003
98 HB3 MET 12 3HB MET 12 -3.438 -8.541 2.646
99 HG2 MET 12 2HG MET 12 -5.001 -6.962 3.547
100 HG3 MET 12 3HG MET 12 -4.923 -6.644 1.817
101 HE1 MET 12 3HE MET 12 -8.601 -6.064 3.266
102 HE2 MET 12 1HE MET 12 -6.959 -5.408 3.270
103 HE3 MET 12 2HE MET 12 -7.456 -6.551 4.513
104 H PHE 13 H PHE 13 -2.089 -8.468 1.095
105 HA PHE 13 HA PHE 13 -2.069 -6.070 -0.440
106 HB2 PHE 13 2HB PHE 13 0.209 -8.000 0.102
107 HB3 PHE 13 3HB PHE 13 0.390 -6.346 -0.476
108 HD1 PHE 13 HD1 PHE 13 -0.874 -4.502 0.952
109 HD2 PHE 13 HD2 PHE 13 0.288 -8.362 2.451
110 HE1 PHE 13 HE1 PHE 13 -0.995 -3.640 3.274
111 HE2 PHE 13 HE2 PHE 13 0.164 -7.500 4.765
112 HZ PHE 13 HZ PHE 13 -0.477 -5.138 5.182
113 H THR 14 H THR 14 -1.180 -9.398 -1.392
114 HA THR 14 HA THR 14 -0.356 -8.782 -4.038
115 HB THR 14 HB THR 14 -0.863 -11.174 -4.529
116 HG1 THR 14 HG1 THR 14 -2.760 -11.148 -3.151
117 HG21 THR 14 3HG2 THR 14 1.259 -10.746 -3.499
118 HG22 THR 14 1HG2 THR 14 0.558 -12.120 -2.648
119 HG23 THR 14 2HG2 THR 14 0.521 -10.516 -1.915
120 H SER 15 H SER 15 -3.602 -9.641 -2.815
121 HA SER 15 HA SER 15 -4.893 -9.673 -5.356
122 HB2 SER 15 2HB SER 15 -6.119 -10.542 -3.501
123 HB3 SER 15 3HB SER 15 -5.889 -9.068 -2.567
124 HG SER 15 HG SER 15 -7.173 -8.955 -5.062
125 H ALA 16 H ALA 16 -4.478 -7.007 -3.023
126 HA ALA 16 HA ALA 16 -5.848 -5.074 -4.675
127 HB1 ALA 16 3HB ALA 16 -3.829 -4.630 -2.463
128 HB2 ALA 16 1HB ALA 16 -5.559 -4.856 -2.220
129 HB3 ALA 16 2HB ALA 16 -4.974 -3.439 -3.085
130 H ILE 17 H ILE 17 -2.376 -5.669 -4.039
131 HA ILE 17 HA ILE 17 -1.402 -3.593 -5.728
132 HB ILE 17 HB ILE 17 -0.169 -6.257 -4.956
133 HG12 ILE 17 2HG1 ILE 17 0.422 -3.486 -3.856
134 HG13 ILE 17 3HG1 ILE 17 -0.779 -4.552 -3.132
135 HG21 ILE 17 1HG2 ILE 17 1.039 -3.828 -6.319
136 HG22 ILE 17 2HG2 ILE 17 1.042 -5.497 -6.894
137 HG23 ILE 17 3HG2 ILE 17 2.018 -5.044 -5.501
138 HD11 ILE 17 3HD1 ILE 17 1.392 -4.796 -1.998
139 HD12 ILE 17 1HD1 ILE 17 2.155 -5.221 -3.529
140 HD13 ILE 17 2HD1 ILE 17 0.946 -6.290 -2.819
141 H GLU 18 H GLU 18 -1.941 -7.059 -6.432
142 HA GLU 18 HA GLU 18 -1.148 -6.850 -9.188
143 HB2 GLU 18 2HB GLU 18 -2.949 -8.860 -7.803
144 HB3 GLU 18 3HB GLU 18 -2.304 -9.047 -9.432
145 HG2 GLU 18 2HG GLU 18 -0.574 -8.674 -6.969
146 HG3 GLU 18 3HG GLU 18 -0.961 -10.245 -7.667
147 H ALA 19 H ALA 19 -4.106 -6.122 -7.503
148 HA ALA 19 HA ALA 19 -5.787 -6.145 -9.890
149 HB1 ALA 19 3HB ALA 19 -6.229 -4.968 -7.132
150 HB2 ALA 19 1HB ALA 19 -6.824 -6.520 -7.727
151 HB3 ALA 19 2HB ALA 19 -7.452 -5.019 -8.403
152 H VAL 20 H VAL 20 -3.900 -3.694 -8.154
153 HA VAL 20 HA VAL 20 -4.840 -1.607 -10.109
154 HB VAL 20 HB VAL 20 -4.213 0.054 -8.504
155 HG11 VAL 20 1HG1 VAL 20 -5.629 -0.542 -6.607
156 HG12 VAL 20 2HG1 VAL 20 -5.491 -2.255 -7.006
157 HG13 VAL 20 3HG1 VAL 20 -6.345 -1.162 -8.095
158 HG21 VAL 20 3HG2 VAL 20 -2.126 -0.750 -7.648
159 HG22 VAL 20 1HG2 VAL 20 -2.855 -2.241 -7.056
160 HG23 VAL 20 2HG2 VAL 20 -3.209 -0.707 -6.260
161 H ALA 21 H ALA 21 -2.335 -3.752 -9.729
162 HA ALA 21 HA ALA 21 -0.082 -2.015 -10.317
163 HB1 ALA 21 3HB ALA 21 1.016 -4.221 -11.035
164 HB2 ALA 21 1HB ALA 21 -0.495 -5.010 -10.580
165 HB3 ALA 21 2HB ALA 21 0.461 -4.150 -9.369
166 H ARG 22 H ARG 22 -2.689 -2.136 -12.078
167 HA ARG 22 HA ARG 22 -2.172 -3.137 -14.631
168 HB2 ARG 22 2HB ARG 22 -3.569 -0.561 -13.832
169 HB3 ARG 22 3HB ARG 22 -3.571 -1.190 -15.480
170 HG2 ARG 22 2HG ARG 22 -4.600 -3.267 -14.727
171 HG3 ARG 22 3HG ARG 22 -4.531 -2.728 -13.055
172 HD2 ARG 22 2HD ARG 22 -6.755 -2.445 -14.509
173 HD3 ARG 22 3HD ARG 22 -6.306 -1.249 -13.296
174 HE ARG 22 HE ARG 22 -5.116 -0.192 -15.493
175 HH11 ARG 22 1HH2 ARG 22 -8.194 -1.744 -15.218
176 HH12 ARG 22 2HH2 ARG 22 -9.025 -0.530 -16.124
177 HH21 ARG 22 1HH1 ARG 22 -6.262 1.459 -16.620
178 HH22 ARG 22 2HH1 ARG 22 -7.958 1.249 -16.897
179 H ASP 23 H ASP 23 -0.382 -0.760 -13.002
180 HA ASP 23 HA ASP 23 0.580 0.701 -15.330
181 HB2 ASP 23 2HB ASP 23 2.334 1.508 -13.723
182 HB3 ASP 23 3HB ASP 23 0.684 1.760 -13.157
183 H SER 24 H SER 24 1.056 -2.430 -14.270
184 HA SER 24 HA SER 24 2.518 -4.106 -14.978
185 HB2 SER 24 2HB SER 24 3.520 -3.861 -17.073
186 HB3 SER 24 3HB SER 24 2.364 -2.532 -17.144
187 HG SER 24 HG SER 24 5.082 -2.491 -17.084
188 H GLY 25 H GLY 25 3.077 -2.619 -12.641
189 HA2 GLY 25 2HA GLY 25 5.788 -3.344 -12.156
190 HA3 GLY 25 3HA GLY 25 5.729 -1.612 -12.478
191 H TRP 26 H TRP 26 6.103 -0.838 -10.439
192 HA TRP 26 HA TRP 26 5.175 -1.847 -7.983
193 HB2 TRP 26 2HB TRP 26 5.673 1.037 -8.790
194 HB3 TRP 26 3HB TRP 26 5.494 0.478 -7.127
195 HD1 TRP 26 HD1 TRP 26 7.781 -0.006 -10.188
196 HE1 TRP 26 HE1 TRP 26 10.115 -0.713 -9.351
197 HE3 TRP 26 HE3 TRP 26 6.824 -0.468 -5.193
198 HZ2 TRP 26 HZ2 TRP 26 11.406 -1.381 -6.886
199 HZ3 TRP 26 HZ3 TRP 26 8.623 -1.135 -3.624
200 HH2 TRP 26 HH2 TRP 26 10.911 -1.591 -4.463
201 H ALA 27 H ALA 27 3.671 -0.019 -6.641
202 HA ALA 27 HA ALA 27 1.208 0.583 -8.173
203 HB1 ALA 27 3HB ALA 27 1.393 -1.470 -5.954
204 HB2 ALA 27 1HB ALA 27 0.687 -1.672 -7.557
205 HB3 ALA 27 2HB ALA 27 -0.128 -0.675 -6.351
206 H GLU 28 H GLU 28 0.124 2.328 -7.257
207 HA GLU 28 HA GLU 28 1.492 3.859 -5.230
208 HB2 GLU 28 2HB GLU 28 0.067 4.821 -7.077
209 HB3 GLU 28 3HB GLU 28 -1.351 4.211 -6.229
210 HG2 GLU 28 2HG GLU 28 -1.086 6.516 -5.587
211 HG3 GLU 28 3HG GLU 28 -0.595 5.551 -4.203
212 H LEU 29 H LEU 29 1.286 3.698 -3.056
213 HA LEU 29 HA LEU 29 -0.214 1.660 -1.803
214 HB2 LEU 29 2HB LEU 29 1.760 2.900 -0.806
215 HB3 LEU 29 3HB LEU 29 0.683 4.261 -0.522
216 HG LEU 29 HG LEU 29 -0.787 2.752 0.850
217 HD11 LEU 29 1HD1 LEU 29 1.343 0.748 0.119
218 HD12 LEU 29 2HD1 LEU 29 -0.400 0.537 0.265
219 HD13 LEU 29 3HD1 LEU 29 0.589 0.635 1.711
220 HD21 LEU 29 3HD2 LEU 29 2.093 2.917 1.780
221 HD22 LEU 29 1HD2 LEU 29 0.673 2.778 2.815
222 HD23 LEU 29 2HD2 LEU 29 0.929 4.241 1.865
223 H SER 30 H SER 30 -1.005 5.086 -2.359
224 HA SER 30 HA SER 30 -3.358 5.248 -0.797
225 HB2 SER 30 2HB SER 30 -2.778 6.518 -3.493
226 HB3 SER 30 3HB SER 30 -4.061 7.018 -2.394
227 HG SER 30 HG SER 30 -1.315 7.390 -2.251
228 H ALA 31 H ALA 31 -2.942 4.100 -4.152
229 HA ALA 31 HA ALA 31 -5.722 3.547 -4.608
230 HB1 ALA 31 3HB ALA 31 -4.052 3.671 -6.440
231 HB2 ALA 31 1HB ALA 31 -4.937 2.144 -6.473
232 HB3 ALA 31 2HB ALA 31 -3.294 2.199 -5.835
233 H VAL 32 H VAL 32 -3.074 1.627 -3.250
234 HA VAL 32 HA VAL 32 -4.470 -0.862 -3.117
235 HB VAL 32 HB VAL 32 -2.243 0.276 -1.396
236 HG11 VAL 32 1HG1 VAL 32 -3.222 -1.470 -0.079
237 HG12 VAL 32 2HG1 VAL 32 -1.827 -2.197 -0.863
238 HG13 VAL 32 3HG1 VAL 32 -3.444 -2.504 -1.485
239 HG21 VAL 32 3HG2 VAL 32 -1.762 -0.034 -3.820
240 HG22 VAL 32 1HG2 VAL 32 -2.206 -1.735 -3.670
241 HG23 VAL 32 2HG2 VAL 32 -0.802 -1.108 -2.804
242 H GLY 33 H GLY 33 -4.101 1.712 -0.660
243 HA2 GLY 33 2HA GLY 33 -5.693 0.437 1.333
244 HA3 GLY 33 3HA GLY 33 -5.407 2.177 1.241
245 H SER 34 H SER 34 -6.603 2.774 -1.205
246 HA SER 34 HA SER 34 -9.361 2.953 -0.476
247 HB2 SER 34 2HB SER 34 -8.506 4.595 -1.997
248 HB3 SER 34 3HB SER 34 -7.929 3.359 -3.112
249 HG SER 34 HG SER 34 -9.845 3.308 -3.960
250 H TYR 35 H TYR 35 -7.688 0.816 -2.802
251 HA TYR 35 HA TYR 35 -10.020 -0.533 -3.738
252 HB2 TYR 35 2HB TYR 35 -7.846 -0.755 -4.855
253 HB3 TYR 35 3HB TYR 35 -7.175 -1.552 -3.435
254 HD1 TYR 35 HD1 TYR 35 -9.626 -1.875 -6.203
255 HD2 TYR 35 HD2 TYR 35 -7.622 -3.894 -2.984
256 HE1 TYR 35 HE1 TYR 35 -10.443 -4.053 -7.060
257 HE2 TYR 35 HE2 TYR 35 -8.438 -6.073 -3.840
258 HH TYR 35 HH TYR 35 -9.568 -7.110 -5.436
259 H LEU 36 H LEU 36 -7.771 -1.394 -1.102
260 HA LEU 36 HA LEU 36 -9.236 -3.721 -0.282
261 HB2 LEU 36 2HB LEU 36 -7.327 -1.925 1.240
262 HB3 LEU 36 3HB LEU 36 -7.965 -3.434 1.889
263 HG LEU 36 HG LEU 36 -6.433 -3.211 -0.722
264 HD11 LEU 36 1HD1 LEU 36 -5.459 -4.015 2.031
265 HD12 LEU 36 2HD1 LEU 36 -4.956 -2.609 1.099
266 HD13 LEU 36 3HD1 LEU 36 -4.541 -4.228 0.542
267 HD21 LEU 36 3HD2 LEU 36 -7.564 -5.235 -0.930
268 HD22 LEU 36 1HD2 LEU 36 -7.629 -5.522 0.804
269 HD23 LEU 36 2HD2 LEU 36 -6.130 -5.793 -0.082
270 H ALA 37 H ALA 37 -9.382 -0.316 0.757
271 HA ALA 37 HA ALA 37 -11.177 -0.661 2.914
272 HB1 ALA 37 3HB ALA 37 -11.785 1.677 2.599
273 HB2 ALA 37 1HB ALA 37 -11.147 1.654 0.955
274 HB3 ALA 37 2HB ALA 37 -10.052 1.492 2.330
275 H LYS 38 H LYS 38 -11.892 -0.177 -0.550
276 HA LYS 38 HA LYS 38 -14.745 -0.239 -0.269
277 HB2 LYS 38 2HB LYS 38 -12.953 -0.946 -2.612
278 HB3 LYS 38 3HB LYS 38 -14.708 -0.808 -2.721
279 HG2 LYS 38 2HG LYS 38 -14.593 1.528 -1.980
280 HG3 LYS 38 3HG LYS 38 -12.842 1.403 -1.811
281 HD2 LYS 38 2HD LYS 38 -12.641 0.917 -4.223
282 HD3 LYS 38 3HD LYS 38 -14.392 1.044 -4.394
283 HE2 LYS 38 2HE LYS 38 -14.307 3.387 -3.639
284 HE3 LYS 38 3HE LYS 38 -12.558 3.265 -3.444
285 HZ1 LYS 38 3HZ LYS 38 -13.512 4.227 -5.619
286 HZ2 LYS 38 1HZ LYS 38 -13.810 2.608 -6.027
287 HZ3 LYS 38 2HZ LYS 38 -12.224 3.122 -5.706
288 H ASN 39 H ASN 39 -12.371 -2.820 -0.922
289 HA ASN 39 HA ASN 39 -14.486 -4.883 -0.976
290 HB2 ASN 39 2HB ASN 39 -11.460 -5.068 -1.107
291 HB3 ASN 39 3HB ASN 39 -12.561 -6.436 -1.284
292 HD21 ASN 39 1HD2 ASN 39 -14.605 -4.964 -2.804
293 HD22 ASN 39 2HD2 ASN 39 -13.950 -4.654 -4.337
294 H ASP 40 H ASP 40 -12.853 -3.234 1.411
295 HA ASP 40 HA ASP 40 -13.602 -5.225 3.468
296 HB2 ASP 40 2HB ASP 40 -10.750 -4.206 3.317
297 HB3 ASP 40 3HB ASP 40 -11.413 -5.391 4.441
298 HA PRO 41 HA PRO 41 -13.967 -0.545 4.278
299 HB2 PRO 41 2HB PRO 41 -16.572 -0.777 5.353
300 HB3 PRO 41 3HB PRO 41 -16.182 -0.294 3.692
301 HG2 PRO 41 2HG PRO 41 -16.986 -2.982 4.738
302 HG3 PRO 41 3HG PRO 41 -17.428 -2.185 3.213
303 HD2 PRO 41 2HD PRO 41 -15.579 -4.141 3.265
304 HD3 PRO 41 3HD PRO 41 -15.398 -2.757 2.172
305 H SER 42 H SER 42 -15.197 0.196 6.619
306 HA SER 42 HA SER 42 -14.946 0.178 8.950
307 HB2 SER 42 2HB SER 42 -15.598 -2.366 8.493
308 HB3 SER 42 3HB SER 42 -13.926 -2.660 8.956
309 HG SER 42 HG SER 42 -14.432 -2.194 10.941
310 H PHE 43 H PHE 43 -12.522 -0.335 6.701
311 HA PHE 43 HA PHE 43 -10.265 -0.536 8.556
312 HB2 PHE 43 2HB PHE 43 -10.491 -1.151 5.938
313 HB3 PHE 43 3HB PHE 43 -9.891 0.488 5.739
314 HD1 PHE 43 HD1 PHE 43 -7.844 1.100 7.383
315 HD2 PHE 43 HD2 PHE 43 -8.868 -2.879 6.111
316 HE1 PHE 43 HE1 PHE 43 -5.541 0.339 7.894
317 HE2 PHE 43 HE2 PHE 43 -6.568 -3.634 6.621
318 HZ PHE 43 HZ PHE 43 -4.902 -2.030 7.513
319 H ASP 44 H ASP 44 -9.127 1.140 9.438
320 HA ASP 44 HA ASP 44 -9.903 3.965 8.716
321 HB2 ASP 44 2HB ASP 44 -9.199 2.785 11.425
322 HB3 ASP 44 3HB ASP 44 -9.502 4.493 11.104
323 HA PRO 45 HA PRO 45 -5.320 3.321 8.056
324 HB2 PRO 45 2HB PRO 45 -5.657 5.513 6.066
325 HB3 PRO 45 3HB PRO 45 -4.980 3.894 5.830
326 HG2 PRO 45 2HG PRO 45 -7.400 4.633 4.837
327 HG3 PRO 45 3HG PRO 45 -7.018 2.967 5.308
328 HD2 PRO 45 2HD PRO 45 -8.658 5.008 6.774
329 HD3 PRO 45 3HD PRO 45 -8.869 3.244 6.693
330 H ARG 46 H ARG 46 -7.317 6.054 8.616
331 HA ARG 46 HA ARG 46 -5.310 8.005 9.250
332 HB2 ARG 46 2HB ARG 46 -8.189 7.702 10.119
333 HB3 ARG 46 3HB ARG 46 -7.238 9.166 10.324
334 HG2 ARG 46 2HG ARG 46 -7.747 7.841 7.625
335 HG3 ARG 46 3HG ARG 46 -8.732 9.153 8.259
336 HD2 ARG 46 2HD ARG 46 -5.811 9.252 7.449
337 HD3 ARG 46 3HD ARG 46 -7.139 10.207 6.824
338 HE ARG 46 HE ARG 46 -5.805 10.612 9.435
339 HH11 ARG 46 1HH2 ARG 46 -8.027 11.767 7.046
340 HH12 ARG 46 2HH2 ARG 46 -8.776 12.905 8.114
341 HH21 ARG 46 1HH1 ARG 46 -6.817 12.071 10.845
342 HH22 ARG 46 2HH1 ARG 46 -8.105 13.067 10.253
343 H ASN 47 H ASN 47 -7.022 5.599 11.168
344 HA ASN 47 HA ASN 47 -6.227 6.431 13.745
345 HB2 ASN 47 2HB ASN 47 -6.609 3.633 12.643
346 HB3 ASN 47 3HB ASN 47 -6.410 3.990 14.359
347 HD21 ASN 47 1HD2 ASN 47 -8.002 6.663 13.378
348 HD22 ASN 47 2HD2 ASN 47 -9.609 6.152 13.553
349 H TRP 48 H TRP 48 -4.206 5.536 11.194
350 HA TRP 48 HA TRP 48 -2.023 4.498 12.957
351 HB2 TRP 48 2HB TRP 48 -2.238 4.808 9.946
352 HB3 TRP 48 3HB TRP 48 -0.847 4.132 10.791
353 HD1 TRP 48 HD1 TRP 48 -4.621 3.482 10.349
354 HE1 TRP 48 HE1 TRP 48 -5.046 0.952 10.622
355 HE3 TRP 48 HE3 TRP 48 0.076 1.941 11.602
356 HZ2 TRP 48 HZ2 TRP 48 -3.573 -1.413 11.287
357 HZ3 TRP 48 HZ3 TRP 48 0.541 -0.451 12.047
358 HH2 TRP 48 HH2 TRP 48 -1.274 -2.129 11.892
359 H GLY 49 H GLY 49 -3.123 7.398 11.502
360 HA2 GLY 49 2HA GLY 49 -2.146 9.523 11.241
361 HA3 GLY 49 3HA GLY 49 -1.291 9.111 12.725
362 H HIS 50 H HIS 50 -0.992 9.561 9.324
363 HA HIS 50 HA HIS 50 0.855 9.447 7.875
364 HB2 HIS 50 2HB HIS 50 1.625 11.151 9.514
365 HB3 HIS 50 3HB HIS 50 2.360 9.868 10.472
366 HD1 HIS 50 HD1 HIS 50 2.572 11.342 6.969
367 HD2 HIS 50 HD2 HIS 50 4.909 9.156 9.640
368 HE1 HIS 50 HE1 HIS 50 4.867 11.145 5.918
369 H GLY 51 H GLY 51 0.544 7.157 7.424
370 HA2 GLY 51 2HA GLY 51 2.744 5.521 7.444
371 HA3 GLY 51 3HA GLY 51 1.994 5.155 9.000
372 H ARG 52 H ARG 52 -0.598 5.066 8.624
373 HA ARG 52 HA ARG 52 -2.283 3.604 7.869
374 HB2 ARG 52 2HB ARG 52 -1.032 4.390 5.220
375 HB3 ARG 52 3HB ARG 52 -2.668 3.780 5.441
376 HG2 ARG 52 2HG ARG 52 -3.193 5.718 6.869
377 HG3 ARG 52 3HG ARG 52 -1.566 6.342 6.631
378 HD2 ARG 52 2HD ARG 52 -3.765 6.032 4.570
379 HD3 ARG 52 3HD ARG 52 -2.961 7.512 5.083
380 HE ARG 52 HE ARG 52 -1.157 5.544 3.873
381 HH11 ARG 52 1HH2 ARG 52 -3.241 8.267 3.438
382 HH12 ARG 52 2HH2 ARG 52 -2.627 8.640 1.865
383 HH21 ARG 52 1HH1 ARG 52 -0.404 5.990 1.797
384 HH22 ARG 52 2HH1 ARG 52 -1.032 7.358 0.938
385 H LEU 53 H LEU 53 -1.646 2.306 5.073
386 HA LEU 53 HA LEU 53 -0.960 -0.284 6.065
387 HB2 LEU 53 2HB LEU 53 -1.120 0.965 3.318
388 HB3 LEU 53 3HB LEU 53 -0.519 -0.683 3.500
389 HG LEU 53 HG LEU 53 -2.615 -1.331 4.619
390 HD11 LEU 53 1HD1 LEU 53 -3.302 0.674 5.717
391 HD12 LEU 53 2HD1 LEU 53 -4.537 0.361 4.502
392 HD13 LEU 53 3HD1 LEU 53 -3.306 1.594 4.213
393 HD21 LEU 53 3HD2 LEU 53 -2.929 0.101 1.962
394 HD22 LEU 53 1HD2 LEU 53 -4.139 -0.989 2.636
395 HD23 LEU 53 2HD2 LEU 53 -2.540 -1.600 2.213
396 H SER 54 H SER 54 0.938 2.342 4.633
397 HA SER 54 HA SER 54 3.361 1.045 4.107
398 HB2 SER 54 2HB SER 54 4.365 3.168 4.151
399 HB3 SER 54 3HB SER 54 2.670 3.601 3.970
400 HG SER 54 HG SER 54 4.041 3.375 6.445
401 H GLN 55 H GLN 55 1.952 1.883 7.209
402 HA GLN 55 HA GLN 55 4.378 1.166 8.719
403 HB2 GLN 55 2HB GLN 55 2.697 2.903 9.478
404 HB3 GLN 55 3HB GLN 55 1.551 1.593 9.743
405 HG2 GLN 55 2HG GLN 55 2.616 2.066 11.859
406 HG3 GLN 55 3HG GLN 55 3.254 0.527 11.284
407 HE21 GLN 55 1HE2 GLN 55 5.381 0.599 12.125
408 HE22 GLN 55 2HE2 GLN 55 6.497 1.827 11.767
409 H MET 56 H MET 56 1.193 -0.260 7.982
410 HA MET 56 HA MET 56 1.485 -2.605 9.600
411 HB2 MET 56 2HB MET 56 -0.654 -1.841 8.527
412 HB3 MET 56 3HB MET 56 -0.013 -2.360 6.972
413 HG2 MET 56 2HG MET 56 -1.397 -4.150 7.782
414 HG3 MET 56 3HG MET 56 0.266 -4.683 7.977
415 HE1 MET 56 3HE MET 56 -3.047 -4.647 9.636
416 HE2 MET 56 1HE MET 56 -2.713 -2.909 9.612
417 HE3 MET 56 2HE MET 56 -2.857 -3.762 11.147
418 H VAL 57 H VAL 57 2.276 -2.057 6.153
419 HA VAL 57 HA VAL 57 3.256 -4.709 5.678
420 HB VAL 57 HB VAL 57 4.283 -3.774 3.659
421 HG11 VAL 57 1HG1 VAL 57 1.618 -2.472 4.300
422 HG12 VAL 57 2HG1 VAL 57 1.837 -4.111 3.687
423 HG13 VAL 57 3HG1 VAL 57 2.271 -2.728 2.684
424 HG21 VAL 57 3HG2 VAL 57 3.745 -1.131 5.040
425 HG22 VAL 57 1HG2 VAL 57 4.084 -1.245 3.319
426 HG23 VAL 57 2HG2 VAL 57 5.292 -1.752 4.490
427 H LYS 58 H LYS 58 4.799 -1.779 6.891
428 HA LYS 58 HA LYS 58 7.506 -2.575 6.720
429 HB2 LYS 58 2HB LYS 58 6.684 -0.310 7.400
430 HB3 LYS 58 3HB LYS 58 6.201 -0.988 8.953
431 HG2 LYS 58 2HG LYS 58 8.522 -1.604 9.437
432 HG3 LYS 58 3HG LYS 58 9.025 -1.018 7.851
433 HD2 LYS 58 2HD LYS 58 8.249 1.255 8.448
434 HD3 LYS 58 3HD LYS 58 7.778 0.667 10.044
435 HE2 LYS 58 2HE LYS 58 10.594 0.498 8.933
436 HE3 LYS 58 3HE LYS 58 10.032 1.768 10.021
437 HZ1 LYS 58 3HZ LYS 58 10.200 -1.139 10.571
438 HZ2 LYS 58 1HZ LYS 58 9.369 -0.057 11.576
439 HZ3 LYS 58 2HZ LYS 58 11.044 0.113 11.346
440 H LYS 59 H LYS 59 5.091 -3.239 9.271
441 HA LYS 59 HA LYS 59 6.930 -4.668 10.964
442 HB2 LYS 59 2HB LYS 59 4.599 -3.700 11.566
443 HB3 LYS 59 3HB LYS 59 3.938 -5.149 10.824
444 HG2 LYS 59 2HG LYS 59 4.102 -5.841 13.062
445 HG3 LYS 59 3HG LYS 59 5.645 -6.409 12.436
446 HD2 LYS 59 2HD LYS 59 6.718 -4.315 13.268
447 HD3 LYS 59 3HD LYS 59 5.162 -3.806 13.921
448 HE2 LYS 59 2HE LYS 59 5.100 -5.809 15.350
449 HE3 LYS 59 3HE LYS 59 6.651 -6.330 14.694
450 HZ1 LYS 59 3HZ LYS 59 6.399 -4.853 16.895
451 HZ2 LYS 59 1HZ LYS 59 6.566 -3.625 15.738
452 HZ3 LYS 59 2HZ LYS 59 7.770 -4.815 15.890
453 H LEU 60 H LEU 60 4.609 -5.688 8.483
454 HA LEU 60 HA LEU 60 5.248 -8.518 8.738
455 HB2 LEU 60 2HB LEU 60 3.891 -7.049 6.457
456 HB3 LEU 60 3HB LEU 60 3.811 -8.780 6.776
457 HG LEU 60 HG LEU 60 2.785 -6.610 8.633
458 HD11 LEU 60 1HD1 LEU 60 0.540 -7.512 7.956
459 HD12 LEU 60 2HD1 LEU 60 1.349 -8.470 6.715
460 HD13 LEU 60 3HD1 LEU 60 1.409 -6.708 6.648
461 HD21 LEU 60 3HD2 LEU 60 1.597 -8.709 9.648
462 HD22 LEU 60 1HD2 LEU 60 3.299 -8.459 10.022
463 HD23 LEU 60 2HD2 LEU 60 2.830 -9.639 8.797
464 H ASP 61 H ASP 61 6.603 -9.752 7.443
465 HA ASP 61 HA ASP 61 8.691 -8.264 5.937
466 HB2 ASP 61 2HB ASP 61 8.476 -11.194 6.700
467 HB3 ASP 61 3HB ASP 61 9.887 -10.417 5.982
468 H PHE 62 H PHE 62 9.333 -10.626 4.294
469 HA PHE 62 HA PHE 62 8.996 -11.164 2.038
470 HB2 PHE 62 2HB PHE 62 6.968 -12.471 1.652
471 HB3 PHE 62 3HB PHE 62 7.648 -12.862 3.227
472 HD1 PHE 62 HD1 PHE 62 6.552 -12.099 5.306
473 HD2 PHE 62 HD2 PHE 62 4.841 -11.270 1.452
474 HE1 PHE 62 HE1 PHE 62 4.399 -11.519 6.384
475 HE2 PHE 62 HE2 PHE 62 2.693 -10.684 2.532
476 HZ PHE 62 HZ PHE 62 2.468 -10.810 4.998
477 H LEU 63 H LEU 63 8.168 -8.340 2.906
478 HA LEU 63 HA LEU 63 6.631 -7.667 0.418
479 HB2 LEU 63 2HB LEU 63 6.171 -6.715 3.254
480 HB3 LEU 63 3HB LEU 63 5.609 -5.770 1.878
481 HG LEU 63 HG LEU 63 4.880 -8.709 2.048
482 HD11 LEU 63 1HD1 LEU 63 4.235 -7.838 4.227
483 HD12 LEU 63 2HD1 LEU 63 2.791 -8.058 3.242
484 HD13 LEU 63 3HD1 LEU 63 3.461 -6.442 3.480
485 HD21 LEU 63 3HD2 LEU 63 3.423 -6.273 0.959
486 HD22 LEU 63 1HD2 LEU 63 2.902 -7.947 0.798
487 HD23 LEU 63 2HD2 LEU 63 4.362 -7.396 -0.017
488 H THR 64 H THR 64 7.617 -6.157 -0.786
489 HA THR 64 HA THR 64 10.074 -4.840 0.241
490 HB THR 64 HB THR 64 8.790 -4.747 -2.510
491 HG1 THR 64 HG1 THR 64 10.403 -6.562 -1.209
492 HG21 THR 64 3HG2 THR 64 11.108 -4.062 -3.193
493 HG22 THR 64 1HG2 THR 64 11.523 -3.932 -1.483
494 HG23 THR 64 2HG2 THR 64 10.293 -2.874 -2.176
495 H VAL 65 H VAL 65 10.154 -2.676 0.772
496 HA VAL 65 HA VAL 65 7.706 -0.988 0.259
497 HB VAL 65 HB VAL 65 9.578 -1.069 2.650
498 HG11 VAL 65 1HG1 VAL 65 7.448 0.954 1.883
499 HG12 VAL 65 2HG1 VAL 65 9.142 1.269 2.264
500 HG13 VAL 65 3HG1 VAL 65 8.033 0.770 3.536
501 HG21 VAL 65 3HG2 VAL 65 7.696 -2.746 2.509
502 HG22 VAL 65 1HG2 VAL 65 6.565 -1.389 2.474
503 HG23 VAL 65 2HG2 VAL 65 7.588 -1.654 3.889
504 H GLN 66 H GLN 66 8.079 0.837 -0.856
505 HA GLN 66 HA GLN 66 10.715 2.175 -0.764
506 HB2 GLN 66 2HB GLN 66 10.941 0.517 -2.613
507 HB3 GLN 66 3HB GLN 66 9.517 1.215 -3.386
508 HG2 GLN 66 2HG GLN 66 10.631 3.351 -3.658
509 HG3 GLN 66 3HG GLN 66 12.012 2.801 -2.709
510 HE21 GLN 66 1HE2 GLN 66 10.372 2.430 -5.848
511 HE22 GLN 66 2HE2 GLN 66 11.673 1.663 -6.622
512 H GLU 67 H GLU 67 10.175 4.240 -0.420
513 HA GLU 67 HA GLU 67 7.722 5.374 -1.750
514 HB2 GLU 67 2HB GLU 67 7.253 6.623 0.244
515 HB3 GLU 67 3HB GLU 67 7.530 4.956 0.749
516 HG2 GLU 67 2HG GLU 67 9.948 5.631 1.209
517 HG3 GLU 67 3HG GLU 67 9.426 7.297 0.976
518 H SER 68 H SER 68 7.993 7.229 -2.824
519 HA SER 68 HA SER 68 10.734 8.442 -2.911
520 HB2 SER 68 2HB SER 68 9.825 7.788 -5.082
521 HB3 SER 68 3HB SER 68 8.342 8.685 -4.768
522 HG SER 68 HG SER 68 10.814 9.993 -4.576
523 H ARG 69 H ARG 69 11.017 10.335 -1.858
524 HA ARG 69 HA ARG 69 8.841 11.629 -0.472
525 HB2 ARG 69 2HB ARG 69 11.655 12.577 -1.069
526 HB3 ARG 69 3HB ARG 69 10.539 13.390 0.024
527 HG2 ARG 69 2HG ARG 69 10.408 11.274 1.369
528 HG3 ARG 69 3HG ARG 69 11.663 10.582 0.333
529 HD2 ARG 69 2HD ARG 69 12.856 12.966 0.985
530 HD3 ARG 69 3HD ARG 69 11.887 12.691 2.432
531 HE ARG 69 HE ARG 69 13.701 10.526 1.450
532 HH11 ARG 69 1HH2 ARG 69 12.597 12.573 3.993
533 HH12 ARG 69 2HH2 ARG 69 14.018 12.376 4.953
534 HH21 ARG 69 1HH1 ARG 69 15.683 10.383 2.708
535 HH22 ARG 69 2HH1 ARG 69 15.724 11.171 4.250
536 H ASN 70 H ASN 70 7.574 13.334 -1.115
537 HA ASN 70 HA ASN 70 8.290 14.931 -3.522
538 HB2 ASN 70 2HB ASN 70 7.052 12.952 -4.376
539 HB3 ASN 70 3HB ASN 70 5.718 13.336 -3.289
540 HD21 ASN 70 1HD2 ASN 70 4.323 13.639 -5.200
541 HD22 ASN 70 2HD2 ASN 70 4.426 15.060 -6.123
542 H GLY 71 H GLY 71 8.200 16.895 -2.448
543 HA2 GLY 71 2HA GLY 71 7.261 18.728 -1.325
544 HA3 GLY 71 3HA GLY 71 5.704 18.121 -1.889
545 H SER 72 H SER 72 4.526 18.406 -0.000
546 HA SER 72 HA SER 72 5.565 17.461 2.591
547 HB2 SER 72 2HB SER 72 4.155 19.503 2.413
548 HB3 SER 72 3HB SER 72 2.817 18.506 1.849
549 HG SER 72 HG SER 72 2.432 18.057 3.854
550 H LYS 73 H LYS 73 3.980 16.020 -0.040
551 HA LYS 73 HA LYS 73 2.928 13.791 1.698
552 HB2 LYS 73 2HB LYS 73 1.335 15.353 0.219
553 HB3 LYS 73 3HB LYS 73 1.865 14.304 -1.087
554 HG2 LYS 73 2HG LYS 73 0.531 13.419 1.496
555 HG3 LYS 73 3HG LYS 73 -0.219 13.465 -0.095
556 HD2 LYS 73 2HD LYS 73 1.514 11.822 -0.890
557 HD3 LYS 73 3HD LYS 73 2.085 11.702 0.776
558 HE2 LYS 73 2HE LYS 73 -0.096 10.917 1.523
559 HE3 LYS 73 3HE LYS 73 -0.753 11.111 -0.102
560 HZ1 LYS 73 3HZ LYS 73 1.572 9.371 0.480
561 HZ2 LYS 73 1HZ LYS 73 0.617 9.406 -0.922
562 HZ3 LYS 73 2HZ LYS 73 -0.029 8.803 0.529
563 H LEU 74 H LEU 74 4.258 12.062 1.488
564 HA LEU 74 HA LEU 74 5.929 11.747 -0.948
565 HB2 LEU 74 2HB LEU 74 6.935 9.852 0.316
566 HB3 LEU 74 3HB LEU 74 7.043 11.386 1.164
567 HG LEU 74 HG LEU 74 4.619 10.399 2.148
568 HD11 LEU 74 1HD1 LEU 74 6.486 8.019 2.014
569 HD12 LEU 74 2HD1 LEU 74 5.112 8.225 0.932
570 HD13 LEU 74 3HD1 LEU 74 4.852 8.067 2.667
571 HD21 LEU 74 3HD2 LEU 74 5.921 9.798 4.195
572 HD22 LEU 74 1HD2 LEU 74 6.385 11.368 3.539
573 HD23 LEU 74 2HD2 LEU 74 7.412 9.959 3.268
574 H HIS 75 H HIS 75 5.791 9.831 -2.257
575 HA HIS 75 HA HIS 75 3.083 8.549 -2.239
576 HB2 HIS 75 2HB HIS 75 5.248 8.613 -4.367
577 HB3 HIS 75 3HB HIS 75 3.654 7.878 -4.546
578 HD1 HIS 75 HD1 HIS 75 1.597 9.679 -3.969
579 HD2 HIS 75 HD2 HIS 75 5.265 11.258 -5.168
580 HE1 HIS 75 HE1 HIS 75 1.148 12.062 -4.700
581 H SER 76 H SER 76 3.262 6.870 -0.778
582 HA SER 76 HA SER 76 5.614 5.161 -0.636
583 HB2 SER 76 2HB SER 76 4.200 5.455 1.345
584 HB3 SER 76 3HB SER 76 2.819 4.794 0.481
585 HG SER 76 HG SER 76 3.668 2.831 0.605
586 H GLU 77 H GLU 77 5.809 3.057 -1.435
587 HA GLU 77 HA GLU 77 3.642 1.959 -3.160
588 HB2 GLU 77 2HB GLU 77 6.501 2.451 -4.062
589 HB3 GLU 77 3HB GLU 77 5.351 1.432 -4.926
590 HG2 GLU 77 2HG GLU 77 3.831 3.350 -5.183
591 HG3 GLU 77 3HG GLU 77 4.969 4.375 -4.313
592 H ILE 78 H ILE 78 3.649 -0.256 -3.181
593 HA ILE 78 HA ILE 78 5.850 -1.703 -1.744
594 HB ILE 78 HB ILE 78 4.124 -3.097 -0.642
595 HG12 ILE 78 2HG1 ILE 78 2.164 -1.002 -1.649
596 HG13 ILE 78 3HG1 ILE 78 2.293 -2.624 -2.319
597 HG21 ILE 78 1HG2 ILE 78 3.501 -1.443 1.035
598 HG22 ILE 78 2HG2 ILE 78 3.811 -0.130 -0.099
599 HG23 ILE 78 3HG2 ILE 78 5.144 -1.128 0.482
600 HD11 ILE 78 3HD1 ILE 78 1.540 -1.887 0.515
601 HD12 ILE 78 1HD1 ILE 78 1.862 -3.539 -0.013
602 HD13 ILE 78 2HD1 ILE 78 0.510 -2.643 -0.698
603 H ARG 79 H ARG 79 6.032 -3.925 -2.321
604 HA ARG 79 HA ARG 79 4.408 -4.925 -4.577
605 HB2 ARG 79 2HB ARG 79 6.274 -3.635 -5.665
606 HB3 ARG 79 3HB ARG 79 7.428 -4.680 -4.830
607 HG2 ARG 79 2HG ARG 79 6.497 -6.655 -5.931
608 HG3 ARG 79 3HG ARG 79 5.247 -5.673 -6.686
609 HD2 ARG 79 2HD ARG 79 7.071 -4.420 -7.882
610 HD3 ARG 79 3HD ARG 79 8.221 -5.591 -7.218
611 HE ARG 79 HE ARG 79 7.066 -7.377 -8.421
612 HH11 ARG 79 1HH2 ARG 79 6.260 -4.154 -9.446
613 HH12 ARG 79 2HH2 ARG 79 5.159 -4.699 -10.662
614 HH21 ARG 79 1HH1 ARG 79 5.578 -8.059 -9.958
615 HH22 ARG 79 2HH1 ARG 79 4.771 -6.889 -10.948
616 H LEU 80 H LEU 80 4.575 -7.210 -4.792
617 HA LEU 80 HA LEU 80 5.279 -8.570 -2.324
618 HB2 LEU 80 2HB LEU 80 3.441 -9.160 -4.151
619 HB3 LEU 80 3HB LEU 80 4.754 -10.037 -4.919
620 HG LEU 80 HG LEU 80 3.510 -11.572 -3.507
621 HD11 LEU 80 1HD1 LEU 80 6.040 -10.952 -1.990
622 HD12 LEU 80 2HD1 LEU 80 6.050 -11.690 -3.591
623 HD13 LEU 80 3HD1 LEU 80 5.279 -12.518 -2.244
624 HD21 LEU 80 3HD2 LEU 80 2.847 -11.200 -1.324
625 HD22 LEU 80 1HD2 LEU 80 2.813 -9.539 -1.897
626 HD23 LEU 80 2HD2 LEU 80 4.182 -10.122 -0.952
627 H ARG 81 H ARG 81 7.287 -9.204 -1.797
628 HA ARG 81 HA ARG 81 9.580 -8.823 -3.369
629 HB2 ARG 81 2HB ARG 81 9.578 -9.144 -0.906
630 HB3 ARG 81 3HB ARG 81 9.175 -10.839 -1.136
631 HG2 ARG 81 2HG ARG 81 11.574 -10.610 -0.730
632 HG3 ARG 81 3HG ARG 81 11.314 -11.169 -2.374
633 HD2 ARG 81 2HD ARG 81 12.178 -9.223 -3.288
634 HD3 ARG 81 3HD ARG 81 11.455 -8.201 -2.050
635 HE ARG 81 HE ARG 81 13.461 -9.548 -0.695
636 HH11 ARG 81 1HH2 ARG 81 13.232 -7.690 -3.598
637 HH12 ARG 81 2HH2 ARG 81 14.799 -6.972 -3.416
638 HH21 ARG 81 1HH1 ARG 81 15.494 -8.586 -0.435
639 HH22 ARG 81 2HH1 ARG 81 16.072 -7.475 -1.632
640 H HIS 82 H HIS 82 10.633 -10.029 -4.911
641 HA HIS 82 HA HIS 82 9.289 -12.097 -6.313
642 HB2 HIS 82 2HB HIS 82 11.661 -12.597 -7.227
643 HB3 HIS 82 3HB HIS 82 11.045 -10.965 -7.473
644 HD1 HIS 82 HD1 HIS 82 13.388 -12.908 -5.219
645 HD2 HIS 82 HD2 HIS 82 12.491 -8.949 -6.178
646 HE1 HIS 82 HE1 HIS 82 15.133 -11.478 -4.067
647 H ASP 83 H ASP 83 8.570 -13.691 -4.832
648 HA ASP 83 HA ASP 83 10.506 -15.052 -3.074
649 HB2 ASP 83 2HB ASP 83 7.571 -15.531 -3.683
650 HB3 ASP 83 3HB ASP 83 8.503 -16.498 -2.540
651 H GLY 84 H GLY 84 11.895 -16.472 -4.010
652 HA2 GLY 84 2HA GLY 84 11.032 -18.835 -5.328
653 HA3 GLY 84 3HA GLY 84 11.540 -17.686 -6.565
654 H LEU 85 H LEU 85 13.388 -18.951 -7.137
655 HA LEU 85 HA LEU 85 15.626 -19.613 -6.983
656 HB2 LEU 85 2HB LEU 85 15.625 -17.081 -6.254
657 HB3 LEU 85 3HB LEU 85 15.937 -17.712 -4.645
658 HG LEU 85 HG LEU 85 17.616 -18.199 -7.126
659 HD11 LEU 85 1HD1 LEU 85 19.290 -16.850 -5.969
660 HD12 LEU 85 2HD1 LEU 85 18.230 -16.686 -4.571
661 HD13 LEU 85 3HD1 LEU 85 17.790 -15.933 -6.103
662 HD21 LEU 85 3HD2 LEU 85 17.803 -19.291 -4.300
663 HD22 LEU 85 1HD2 LEU 85 19.210 -19.220 -5.364
664 HD23 LEU 85 2HD2 LEU 85 17.815 -20.185 -5.822
665 H GLU 86 H GLU 86 15.325 -21.737 -6.237
666 HA GLU 86 HA GLU 86 15.115 -22.225 -3.294
667 HB2 GLU 86 2HB GLU 86 14.840 -24.041 -5.704
668 HB3 GLU 86 3HB GLU 86 14.739 -24.597 -4.033
669 HG2 GLU 86 2HG GLU 86 12.835 -23.119 -3.620
670 HG3 GLU 86 3HG GLU 86 12.961 -22.462 -5.251
671 H HIS 87 H HIS 87 17.531 -21.215 -3.737
672 HA HIS 87 HA HIS 87 19.834 -21.617 -3.620
673 HB2 HIS 87 2HB HIS 87 18.952 -22.856 -1.613
674 HB3 HIS 87 3HB HIS 87 18.949 -24.323 -2.587
675 HD1 HIS 87 HD1 HIS 87 21.319 -25.177 -3.442
676 HD2 HIS 87 HD2 HIS 87 21.472 -22.080 -0.656
677 HE1 HIS 87 HE1 HIS 87 23.707 -25.088 -2.601
678 H HIS 88 H HIS 88 19.877 -21.673 -6.018
679 HA HIS 88 HA HIS 88 19.867 -24.232 -7.409
680 HB2 HIS 88 2HB HIS 88 20.715 -22.913 -9.326
681 HB3 HIS 88 3HB HIS 88 19.311 -22.140 -8.588
682 HD1 HIS 88 HD1 HIS 88 19.949 -20.208 -6.749
683 HD2 HIS 88 HD2 HIS 88 22.934 -21.259 -9.463
684 HE1 HIS 88 HE1 HIS 88 21.656 -18.339 -6.693
685 H HIS 89 H HIS 89 21.736 -25.358 -8.207
686 HA HIS 89 HA HIS 89 24.430 -24.426 -7.423
687 HB2 HIS 89 2HB HIS 89 24.921 -26.528 -6.174
688 HB3 HIS 89 3HB HIS 89 23.694 -25.544 -5.374
689 HD1 HIS 89 HD1 HIS 89 21.135 -26.296 -5.849
690 HD2 HIS 89 HD2 HIS 89 24.066 -29.099 -6.816
691 HE1 HIS 89 HE1 HIS 89 19.951 -28.523 -6.071
692 H HIS 90 H HIS 90 26.074 -25.498 -8.599
693 HA HIS 90 HA HIS 90 25.319 -27.718 -10.428
694 HB2 HIS 90 2HB HIS 90 26.428 -25.066 -11.403
695 HB3 HIS 90 3HB HIS 90 26.202 -26.507 -12.395
696 HD1 HIS 90 HD1 HIS 90 23.609 -27.429 -12.413
697 HD2 HIS 90 HD2 HIS 90 24.181 -23.448 -11.319
698 HE1 HIS 90 HE1 HIS 90 21.359 -26.292 -12.648
699 H HIS 91 H HIS 91 27.073 -29.009 -10.940
700 HA HIS 91 HA HIS 91 29.181 -29.973 -10.557
701 HB2 HIS 91 2HB HIS 91 29.947 -27.094 -11.129
702 HB3 HIS 91 3HB HIS 91 31.088 -28.439 -11.100
703 HD1 HIS 91 HD1 HIS 91 28.518 -26.812 -13.209
704 HD2 HIS 91 HD2 HIS 91 30.614 -30.413 -13.196
705 HE1 HIS 91 HE1 HIS 91 28.180 -27.846 -15.495
706 H HIS 92 H HIS 92 28.810 -30.411 -8.291
707 HA HIS 92 HA HIS 92 29.270 -28.572 -6.177
708 HB2 HIS 92 2HB HIS 92 29.661 -31.581 -6.268
709 HB3 HIS 92 3HB HIS 92 29.678 -30.623 -4.786
710 HD1 HIS 92 HD1 HIS 92 27.369 -31.672 -7.595
711 HD2 HIS 92 HD2 HIS 92 27.140 -29.851 -3.851
712 HE1 HIS 92 HE1 HIS 92 24.906 -31.508 -7.026
Contact the webmaster for help, if required. Thursday, May 9, 2024 9:26:56 PM GMT (wattos1)