NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
549715 |
2lx7   |
18662 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 1H MET 1 -5.440 11.651 11.633
2 H2 MET 1 2H MET 1 -4.178 12.651 12.145
3 H3 MET 1 3H MET 1 -4.264 11.057 12.696
4 HA MET 1 HA MET 1 -3.894 10.202 10.518
5 HB2 MET 1 1HB MET 1 -4.991 12.072 9.289
6 HB3 MET 1 2HB MET 1 -3.655 13.136 9.702
7 HG2 MET 1 1HG MET 1 -2.132 11.798 8.338
8 HG3 MET 1 2HG MET 1 -3.423 10.648 7.985
9 HE1 MET 1 3HE MET 1 -5.941 12.511 7.501
10 HE2 MET 1 1HE MET 1 -5.520 11.201 6.395
11 HE3 MET 1 2HE MET 1 -5.841 12.819 5.769
12 H SER 2 H SER 2 -2.215 9.358 11.727
13 HA SER 2 HA SER 2 0.045 10.898 12.634
14 HB2 SER 2 1HB SER 2 -0.335 7.868 12.502
15 HB3 SER 2 2HB SER 2 0.933 8.711 13.399
16 HG SER 2 HG SER 2 -1.047 8.041 14.583
17 H GLY 3 H GLY 3 -0.614 8.651 9.993
18 HA2 GLY 3 1HA GLY 3 1.796 9.575 8.528
19 HA3 GLY 3 2HA GLY 3 1.320 7.878 8.563
20 H ALA 4 H ALA 4 1.566 9.194 6.142
21 HA ALA 4 HA ALA 4 -0.943 10.293 5.234
22 HB1 ALA 4 3HB ALA 4 1.200 11.079 4.290
23 HB2 ALA 4 1HB ALA 4 0.147 10.429 3.032
24 HB3 ALA 4 2HB ALA 4 1.508 9.474 3.626
25 H ARG 5 H ARG 5 -2.616 9.185 4.490
26 HA ARG 5 HA ARG 5 -2.531 6.312 3.983
27 HB2 ARG 5 1HB ARG 5 -5.016 6.558 3.705
28 HB3 ARG 5 2HB ARG 5 -4.428 7.146 5.258
29 HG2 ARG 5 1HG ARG 5 -4.591 9.458 4.500
30 HG3 ARG 5 2HG ARG 5 -5.049 8.927 2.882
31 HD2 ARG 5 1HD ARG 5 -7.137 7.972 3.782
32 HD3 ARG 5 2HD ARG 5 -6.677 8.487 5.412
33 HE ARG 5 HE ARG 5 -6.586 10.773 3.886
34 HH11 ARG 5 1HH1 ARG 5 -9.109 8.435 4.604
35 HH12 ARG 5 2HH1 ARG 5 -10.374 9.614 4.514
36 HH21 ARG 5 1HH2 ARG 5 -8.257 12.287 3.780
37 HH22 ARG 5 2HH2 ARG 5 -9.894 11.783 4.038
38 H CYS 6 H CYS 6 -3.384 5.401 2.027
39 HA CYS 6 HA CYS 6 -3.619 6.991 -0.386
40 HB2 CYS 6 1HB CYS 6 -1.866 5.730 -1.614
41 HB3 CYS 6 2HB CYS 6 -1.169 6.609 -0.260
42 HG CYS 6 HG CYS 6 -0.870 4.388 1.364
43 H ARG 7 H ARG 7 -4.750 5.872 -1.989
44 HA ARG 7 HA ARG 7 -6.037 3.337 -1.181
45 HB2 ARG 7 1HB ARG 7 -7.544 5.281 -1.599
46 HB3 ARG 7 2HB ARG 7 -6.877 5.453 -3.219
47 HG2 ARG 7 1HG ARG 7 -7.772 3.166 -3.777
48 HG3 ARG 7 2HG ARG 7 -8.537 3.118 -2.184
49 HD2 ARG 7 1HD ARG 7 -9.850 5.147 -2.783
50 HD3 ARG 7 2HD ARG 7 -9.083 5.151 -4.378
51 HE ARG 7 HE ARG 7 -10.510 2.712 -3.644
52 HH11 ARG 7 1HH1 ARG 7 -10.691 5.782 -5.365
53 HH12 ARG 7 2HH1 ARG 7 -12.046 5.289 -6.325
54 HH21 ARG 7 1HH2 ARG 7 -12.306 2.111 -4.904
55 HH22 ARG 7 2HH2 ARG 7 -12.962 3.223 -6.060
56 H THR 8 H THR 8 -5.441 1.570 -2.268
57 HA THR 8 HA THR 8 -3.594 1.572 -4.457
58 HB THR 8 HB THR 8 -4.012 -0.933 -4.405
59 HG1 THR 8 HG1 THR 8 -5.382 -1.465 -2.416
60 HG21 THR 8 3HG2 THR 8 -2.297 0.013 -2.883
61 HG22 THR 8 1HG2 THR 8 -3.130 -1.340 -2.122
62 HG23 THR 8 2HG2 THR 8 -3.535 0.316 -1.660
63 H LEU 9 H LEU 9 -4.036 1.253 -6.655
64 HA LEU 9 HA LEU 9 -6.800 1.567 -7.543
65 HB2 LEU 9 1HB LEU 9 -4.254 1.311 -9.207
66 HB3 LEU 9 2HB LEU 9 -5.853 1.696 -9.821
67 HG LEU 9 HG LEU 9 -5.694 3.805 -8.256
68 HD11 LEU 9 1HD1 LEU 9 -3.444 4.663 -7.857
69 HD12 LEU 9 2HD1 LEU 9 -2.744 3.154 -8.446
70 HD13 LEU 9 3HD1 LEU 9 -3.726 3.159 -6.978
71 HD21 LEU 9 3HD2 LEU 9 -4.643 5.107 -10.048
72 HD22 LEU 9 1HD2 LEU 9 -5.730 3.896 -10.723
73 HD23 LEU 9 2HD2 LEU 9 -3.984 3.637 -10.766
74 H TYR 10 H TYR 10 -4.206 -0.549 -8.749
75 HA TYR 10 HA TYR 10 -5.770 -2.983 -8.346
76 HB2 TYR 10 1HB TYR 10 -4.795 -2.036 -11.078
77 HB3 TYR 10 2HB TYR 10 -5.225 -3.708 -10.739
78 HD1 TYR 10 HD2 TYR 10 -7.625 -4.246 -10.044
79 HD2 TYR 10 HD1 TYR 10 -6.519 -0.434 -11.637
80 HE1 TYR 10 HE2 TYR 10 -9.979 -3.786 -10.581
81 HE2 TYR 10 HE1 TYR 10 -8.877 0.024 -12.172
82 HH TYR 10 HH TYR 10 -11.448 -1.917 -10.996
83 HA PRO 11 HA PRO 11 -1.348 -3.609 -7.169
84 HB2 PRO 11 1HB PRO 11 -2.524 -5.875 -5.593
85 HB3 PRO 11 2HB PRO 11 -1.533 -4.515 -5.038
86 HG2 PRO 11 1HG PRO 11 -4.140 -4.618 -4.457
87 HG3 PRO 11 2HG PRO 11 -3.377 -3.069 -4.886
88 HD2 PRO 11 1HD PRO 11 -4.987 -4.934 -6.656
89 HD3 PRO 11 2HD PRO 11 -5.173 -3.178 -6.410
90 H PHE 12 H PHE 12 -0.546 -4.379 -9.126
91 HA PHE 12 HA PHE 12 -1.059 -7.144 -9.975
92 HB2 PHE 12 1HB PHE 12 0.721 -5.019 -11.257
93 HB3 PHE 12 2HB PHE 12 0.272 -6.565 -11.970
94 HD1 PHE 12 HD2 PHE 12 -2.397 -6.961 -12.111
95 HD2 PHE 12 HD1 PHE 12 -0.489 -3.135 -11.962
96 HE1 PHE 12 HE2 PHE 12 -4.372 -5.924 -13.146
97 HE2 PHE 12 HE1 PHE 12 -2.472 -2.112 -12.994
98 HZ PHE 12 HZ PHE 12 -4.411 -3.505 -13.591
99 H SER 13 H SER 13 0.858 -8.483 -10.558
100 HA SER 13 HA SER 13 3.255 -8.185 -8.945
101 HB2 SER 13 1HB SER 13 2.821 -10.386 -7.739
102 HB3 SER 13 2HB SER 13 1.737 -9.081 -7.251
103 HG SER 13 HG SER 13 0.394 -10.103 -9.108
104 H GLY 14 H GLY 14 4.539 -10.366 -9.120
105 HA2 GLY 14 1HA GLY 14 4.149 -12.064 -11.388
106 HA3 GLY 14 2HA GLY 14 5.350 -10.816 -11.737
107 H GLU 15 H GLU 15 6.783 -10.516 -9.505
108 HA GLU 15 HA GLU 15 8.095 -13.084 -9.088
109 HB2 GLU 15 1HB GLU 15 9.498 -11.053 -9.432
110 HB3 GLU 15 2HB GLU 15 8.816 -10.331 -7.975
111 HG2 GLU 15 1HG GLU 15 9.777 -12.147 -6.608
112 HG3 GLU 15 2HG GLU 15 10.433 -12.902 -8.062
113 H ARG 16 H ARG 16 6.430 -14.159 -7.999
114 HA ARG 16 HA ARG 16 5.828 -13.322 -5.232
115 HB2 ARG 16 1HB ARG 16 4.622 -15.568 -6.915
116 HB3 ARG 16 2HB ARG 16 4.123 -15.126 -5.281
117 HG2 ARG 16 1HG ARG 16 3.357 -12.924 -6.110
118 HG3 ARG 16 2HG ARG 16 3.884 -13.355 -7.743
119 HD2 ARG 16 1HD ARG 16 2.277 -15.248 -7.739
120 HD3 ARG 16 2HD ARG 16 1.721 -14.762 -6.132
121 HE ARG 16 HE ARG 16 1.352 -12.504 -7.549
122 HH11 ARG 16 1HH1 ARG 16 0.419 -15.810 -8.298
123 HH12 ARG 16 2HH1 ARG 16 -0.989 -15.334 -9.186
124 HH21 ARG 16 1HH2 ARG 16 -0.491 -11.903 -8.699
125 HH22 ARG 16 2HH2 ARG 16 -1.515 -13.109 -9.409
126 H HIS 17 H HIS 17 7.616 -13.859 -4.091
127 HA HIS 17 HA HIS 17 8.269 -16.705 -3.797
128 HB2 HIS 17 1HB HIS 17 9.955 -15.724 -5.401
129 HB3 HIS 17 2HB HIS 17 10.422 -14.559 -4.165
130 HD2 HIS 17 HD2 HIS 17 12.372 -15.451 -2.453
131 HE1 HIS 17 HE1 HIS 17 12.188 -19.526 -3.577
132 HE2 HIS 17 HE2 HIS 17 13.246 -17.851 -1.999
133 H GLY 18 H GLY 18 8.235 -17.204 -1.693
134 HA2 GLY 18 1HA GLY 18 8.302 -17.033 0.602
135 HA3 GLY 18 2HA GLY 18 9.072 -15.457 0.437
136 H GLN 19 H GLN 19 7.818 -14.375 1.932
137 HA GLN 19 HA GLN 19 4.883 -14.407 1.732
138 HB2 GLN 19 1HB GLN 19 4.959 -13.207 3.923
139 HB3 GLN 19 2HB GLN 19 5.697 -14.803 3.948
140 HG2 GLN 19 1HG GLN 19 7.906 -13.895 4.036
141 HG3 GLN 19 2HG GLN 19 7.340 -12.269 3.664
142 HE21 GLN 19 2HE2 GLN 19 6.224 -11.104 5.261
143 HE22 GLN 19 1HE2 GLN 19 6.374 -11.500 6.929
144 H GLY 20 H GLY 20 5.564 -13.232 -0.457
145 HA2 GLY 20 1HA GLY 20 6.031 -10.441 -0.480
146 HA3 GLY 20 2HA GLY 20 5.204 -11.353 -1.736
147 H LEU 21 H LEU 21 4.630 -8.661 -0.327
148 HA LEU 21 HA LEU 21 2.253 -9.179 1.292
149 HB2 LEU 21 1HB LEU 21 3.890 -7.487 2.049
150 HB3 LEU 21 2HB LEU 21 3.677 -6.591 0.560
151 HG LEU 21 HG LEU 21 1.237 -6.222 1.236
152 HD11 LEU 21 1HD1 LEU 21 1.025 -8.028 2.873
153 HD12 LEU 21 2HD1 LEU 21 0.627 -6.467 3.584
154 HD13 LEU 21 3HD1 LEU 21 2.184 -7.221 3.936
155 HD21 LEU 21 3HD2 LEU 21 1.721 -4.361 2.746
156 HD22 LEU 21 1HD2 LEU 21 2.914 -4.435 1.449
157 HD23 LEU 21 2HD2 LEU 21 3.330 -5.007 3.065
158 H ARG 22 H ARG 22 0.330 -9.392 0.336
159 HA ARG 22 HA ARG 22 -0.177 -8.251 -2.342
160 HB2 ARG 22 1HB ARG 22 -1.729 -10.367 -0.783
161 HB3 ARG 22 2HB ARG 22 -2.012 -9.895 -2.464
162 HG2 ARG 22 1HG ARG 22 0.183 -10.789 -3.110
163 HG3 ARG 22 2HG ARG 22 0.542 -11.168 -1.423
164 HD2 ARG 22 1HD ARG 22 -1.630 -12.421 -3.150
165 HD3 ARG 22 2HD ARG 22 -0.134 -13.193 -2.619
166 HE ARG 22 HE ARG 22 -1.183 -12.662 -0.260
167 HH11 ARG 22 1HH1 ARG 22 -2.886 -13.895 -3.079
168 HH12 ARG 22 2HH1 ARG 22 -4.047 -14.769 -2.131
169 HH21 ARG 22 1HH2 ARG 22 -2.725 -13.799 0.953
170 HH22 ARG 22 2HH2 ARG 22 -3.956 -14.712 0.144
171 H PHE 23 H PHE 23 -1.180 -6.362 -2.311
172 HA PHE 23 HA PHE 23 -3.085 -5.558 -0.238
173 HB2 PHE 23 1HB PHE 23 -2.282 -4.126 -2.817
174 HB3 PHE 23 2HB PHE 23 -3.268 -3.439 -1.533
175 HD1 PHE 23 HD1 PHE 23 -1.999 -3.713 0.918
176 HD2 PHE 23 HD2 PHE 23 -0.107 -3.293 -2.895
177 HE1 PHE 23 HE1 PHE 23 -0.010 -2.763 1.999
178 HE2 PHE 23 HE2 PHE 23 1.882 -2.350 -1.798
179 HZ PHE 23 HZ PHE 23 1.930 -2.084 0.646
180 H ALA 24 H ALA 24 -5.316 -5.066 -0.722
181 HA ALA 24 HA ALA 24 -6.547 -6.492 -2.977
182 HB1 ALA 24 3HB ALA 24 -7.826 -4.892 -0.704
183 HB2 ALA 24 1HB ALA 24 -7.630 -6.648 -0.755
184 HB3 ALA 24 2HB ALA 24 -8.694 -5.848 -1.909
185 H ALA 25 H ALA 25 -7.828 -5.337 -4.571
186 HA ALA 25 HA ALA 25 -6.937 -2.738 -5.369
187 HB1 ALA 25 3HB ALA 25 -9.330 -4.333 -6.359
188 HB2 ALA 25 1HB ALA 25 -7.690 -4.414 -7.012
189 HB3 ALA 25 2HB ALA 25 -8.625 -2.924 -7.157
190 H GLY 26 H GLY 26 -7.797 -0.749 -4.965
191 HA2 GLY 26 1HA GLY 26 -9.235 0.913 -4.256
192 HA3 GLY 26 2HA GLY 26 -10.490 -0.286 -3.998
193 H GLU 27 H GLU 27 -7.597 -1.136 -2.460
194 HA GLU 27 HA GLU 27 -8.832 -0.976 0.141
195 HB2 GLU 27 1HB GLU 27 -7.507 -2.943 -0.617
196 HB3 GLU 27 2HB GLU 27 -6.061 -1.954 -0.681
197 HG2 GLU 27 1HG GLU 27 -6.093 -3.369 1.303
198 HG3 GLU 27 2HG GLU 27 -6.110 -1.659 1.735
199 H LEU 28 H LEU 28 -8.216 0.250 1.886
200 HA LEU 28 HA LEU 28 -6.698 2.709 1.338
201 HB2 LEU 28 1HB LEU 28 -8.418 1.960 3.744
202 HB3 LEU 28 2HB LEU 28 -7.669 3.530 3.470
203 HG LEU 28 HG LEU 28 -9.913 2.270 1.835
204 HD11 LEU 28 1HD1 LEU 28 -10.647 3.199 3.967
205 HD12 LEU 28 2HD1 LEU 28 -11.268 4.138 2.615
206 HD13 LEU 28 3HD1 LEU 28 -9.915 4.757 3.568
207 HD21 LEU 28 3HD2 LEU 28 -8.440 3.436 0.291
208 HD22 LEU 28 1HD2 LEU 28 -8.452 4.884 1.304
209 HD23 LEU 28 2HD2 LEU 28 -9.928 4.353 0.491
210 H ILE 29 H ILE 29 -4.587 2.429 1.608
211 HA ILE 29 HA ILE 29 -3.478 0.922 3.902
212 HB ILE 29 HB ILE 29 -2.340 1.309 1.084
213 HG12 ILE 29 1HG1 ILE 29 -4.175 -0.360 1.165
214 HG13 ILE 29 2HG1 ILE 29 -2.635 -1.132 0.809
215 HG21 ILE 29 1HG2 ILE 29 -1.092 -0.159 3.443
216 HG22 ILE 29 2HG2 ILE 29 -0.507 1.329 2.695
217 HG23 ILE 29 3HG2 ILE 29 -0.477 -0.181 1.785
218 HD11 ILE 29 3HD1 ILE 29 -4.043 -1.121 3.476
219 HD12 ILE 29 1HD1 ILE 29 -2.497 -1.904 3.130
220 HD13 ILE 29 2HD1 ILE 29 -3.967 -2.457 2.330
221 H THR 30 H THR 30 -2.252 2.153 5.285
222 HA THR 30 HA THR 30 -1.354 4.850 4.541
223 HB THR 30 HB THR 30 -1.117 3.332 7.184
224 HG1 THR 30 HG1 THR 30 -2.807 5.544 6.803
225 HG21 THR 30 3HG2 THR 30 -0.613 5.538 8.197
226 HG22 THR 30 1HG2 THR 30 -0.619 6.281 6.599
227 HG23 THR 30 2HG2 THR 30 0.622 5.094 7.015
228 H LEU 31 H LEU 31 0.797 5.364 4.126
229 HA LEU 31 HA LEU 31 2.714 3.246 3.731
230 HB2 LEU 31 1HB LEU 31 4.289 5.202 3.115
231 HB3 LEU 31 2HB LEU 31 2.898 4.900 2.098
232 HG LEU 31 HG LEU 31 1.714 6.820 3.253
233 HD11 LEU 31 1HD1 LEU 31 2.971 6.991 5.314
234 HD12 LEU 31 2HD1 LEU 31 3.023 8.513 4.432
235 HD13 LEU 31 3HD1 LEU 31 4.429 7.444 4.425
236 HD21 LEU 31 3HD2 LEU 31 2.837 8.576 1.965
237 HD22 LEU 31 1HD2 LEU 31 2.690 7.087 1.031
238 HD23 LEU 31 2HD2 LEU 31 4.245 7.532 1.740
239 H LEU 32 H LEU 32 4.759 3.046 4.758
240 HA LEU 32 HA LEU 32 4.788 3.863 7.606
241 HB2 LEU 32 1HB LEU 32 6.086 1.469 6.250
242 HB3 LEU 32 2HB LEU 32 6.202 1.846 7.964
243 HG LEU 32 HG LEU 32 3.640 1.095 6.483
244 HD11 LEU 32 1HD1 LEU 32 5.254 -0.515 8.489
245 HD12 LEU 32 2HD1 LEU 32 5.119 -0.828 6.755
246 HD13 LEU 32 3HD1 LEU 32 3.700 -0.978 7.786
247 HD21 LEU 32 3HD2 LEU 32 4.069 1.708 9.432
248 HD22 LEU 32 1HD2 LEU 32 2.581 1.063 8.729
249 HD23 LEU 32 2HD2 LEU 32 3.143 2.669 8.277
250 H GLN 33 H GLN 33 6.174 4.642 4.720
251 HA GLN 33 HA GLN 33 8.509 5.874 5.987
252 HB2 GLN 33 1HB GLN 33 9.030 3.551 4.772
253 HB3 GLN 33 2HB GLN 33 8.883 4.495 3.292
254 HG2 GLN 33 1HG GLN 33 10.664 6.031 4.205
255 HG3 GLN 33 2HG GLN 33 10.866 4.909 5.555
256 HE21 GLN 33 2HE2 GLN 33 11.635 2.771 5.079
257 HE22 GLN 33 1HE2 GLN 33 12.591 2.474 3.673
258 H VAL 34 H VAL 34 9.246 7.755 4.750
259 HA VAL 34 HA VAL 34 7.399 8.709 2.639
260 HB VAL 34 HB VAL 34 7.413 11.021 3.711
261 HG11 VAL 34 1HG1 VAL 34 5.648 10.532 5.381
262 HG12 VAL 34 2HG1 VAL 34 6.099 8.824 5.358
263 HG13 VAL 34 3HG1 VAL 34 5.433 9.577 3.909
264 HG21 VAL 34 3HG2 VAL 34 9.383 10.759 5.181
265 HG22 VAL 34 1HG2 VAL 34 8.526 9.551 6.141
266 HG23 VAL 34 2HG2 VAL 34 7.967 11.226 6.125
267 HA PRO 35 HA PRO 35 11.797 9.938 1.379
268 HB2 PRO 35 1HB PRO 35 12.361 8.117 -0.562
269 HB3 PRO 35 2HB PRO 35 12.733 7.803 1.142
270 HG2 PRO 35 1HG PRO 35 10.402 6.833 -0.503
271 HG3 PRO 35 2HG PRO 35 11.399 5.935 0.662
272 HD2 PRO 35 1HD PRO 35 8.933 7.002 1.274
273 HD3 PRO 35 2HD PRO 35 10.195 6.722 2.480
274 H ASP 36 H ASP 36 11.539 11.629 0.028
275 HA ASP 36 HA ASP 36 9.292 12.061 -1.616
276 HB2 ASP 36 1HB ASP 36 10.505 14.106 -2.379
277 HB3 ASP 36 2HB ASP 36 10.484 13.939 -0.631
278 H GLY 37 H GLY 37 8.894 10.766 -3.283
279 HA2 GLY 37 1HA GLY 37 9.071 9.749 -5.334
280 HA3 GLY 37 2HA GLY 37 10.585 10.607 -5.591
281 H GLY 38 H GLY 38 9.439 8.154 -3.260
282 HA2 GLY 38 1HA GLY 38 11.503 6.241 -4.163
283 HA3 GLY 38 2HA GLY 38 11.460 6.723 -2.471
284 H TRP 39 H TRP 39 11.245 4.257 -2.430
285 HA TRP 39 HA TRP 39 8.635 3.132 -3.041
286 HB2 TRP 39 1HB TRP 39 10.846 1.832 -1.394
287 HB3 TRP 39 2HB TRP 39 9.543 1.026 -2.259
288 HD1 TRP 39 HD1 TRP 39 12.976 2.660 -2.808
289 HE1 TRP 39 HE1 TRP 39 13.877 1.956 -5.104
290 HE3 TRP 39 HE3 TRP 39 8.823 0.281 -4.642
291 HZ2 TRP 39 HZ2 TRP 39 12.976 0.604 -7.388
292 HZ3 TRP 39 HZ3 TRP 39 8.941 -0.695 -6.900
293 HH2 TRP 39 HH2 TRP 39 10.974 -0.538 -8.245
294 H TRP 40 H TRP 40 7.032 2.672 -1.543
295 HA TRP 40 HA TRP 40 7.409 3.596 1.258
296 HB2 TRP 40 1HB TRP 40 4.834 3.593 -0.395
297 HB3 TRP 40 2HB TRP 40 4.983 4.126 1.277
298 HD1 TRP 40 HD1 TRP 40 7.517 5.993 1.042
299 HE1 TRP 40 HE1 TRP 40 7.380 8.218 -0.230
300 HE3 TRP 40 HE3 TRP 40 3.428 5.009 -1.850
301 HZ2 TRP 40 HZ2 TRP 40 5.754 9.413 -2.190
302 HZ3 TRP 40 HZ3 TRP 40 2.628 6.755 -3.393
303 HH2 TRP 40 HH2 TRP 40 3.768 8.918 -3.557
304 H GLU 41 H GLU 41 6.933 2.131 2.855
305 HA GLU 41 HA GLU 41 6.118 -0.567 2.085
306 HB2 GLU 41 1HB GLU 41 6.794 0.510 4.864
307 HB3 GLU 41 2HB GLU 41 6.430 -1.166 4.481
308 HG2 GLU 41 1HG GLU 41 8.743 -1.144 4.654
309 HG3 GLU 41 2HG GLU 41 8.469 -1.090 2.917
310 H GLY 42 H GLY 42 4.086 -1.197 2.093
311 HA2 GLY 42 1HA GLY 42 1.982 0.456 3.237
312 HA3 GLY 42 2HA GLY 42 1.790 -1.005 2.276
313 H GLU 43 H GLU 43 0.759 -0.051 5.002
314 HA GLU 43 HA GLU 43 1.429 -2.462 6.594
315 HB2 GLU 43 1HB GLU 43 0.242 -1.346 8.460
316 HB3 GLU 43 2HB GLU 43 1.539 -0.330 7.841
317 HG2 GLU 43 1HG GLU 43 -0.007 1.122 6.721
318 HG3 GLU 43 2HG GLU 43 -1.349 0.022 7.007
319 H LYS 44 H LYS 44 -0.136 -3.951 7.044
320 HA LYS 44 HA LYS 44 -2.908 -3.492 6.129
321 HB2 LYS 44 1HB LYS 44 -1.211 -5.988 5.740
322 HB3 LYS 44 2HB LYS 44 -2.971 -6.021 5.648
323 HG2 LYS 44 1HG LYS 44 -2.799 -4.290 3.785
324 HG3 LYS 44 2HG LYS 44 -1.048 -4.539 3.815
325 HD2 LYS 44 1HD LYS 44 -2.113 -5.891 2.044
326 HD3 LYS 44 2HD LYS 44 -1.365 -6.925 3.265
327 HE2 LYS 44 1HE LYS 44 -3.663 -7.148 4.337
328 HE3 LYS 44 2HE LYS 44 -4.326 -6.316 2.928
329 HZ1 LYS 44 3HZ LYS 44 -2.783 -8.843 2.841
330 HZ2 LYS 44 1HZ LYS 44 -3.547 -8.086 1.542
331 HZ3 LYS 44 2HZ LYS 44 -4.466 -8.737 2.797
332 H GLU 45 H GLU 45 -4.513 -4.474 7.348
333 HA GLU 45 HA GLU 45 -4.108 -4.924 10.139
334 HB2 GLU 45 1HB GLU 45 -6.511 -5.720 8.425
335 HB3 GLU 45 2HB GLU 45 -6.496 -5.529 10.181
336 HG2 GLU 45 1HG GLU 45 -6.128 -3.318 8.123
337 HG3 GLU 45 2HG GLU 45 -7.582 -3.627 9.068
338 H ASP 46 H ASP 46 -4.053 -6.941 7.320
339 HA ASP 46 HA ASP 46 -4.143 -9.554 8.206
340 HB2 ASP 46 1HB ASP 46 -3.893 -8.966 5.857
341 HB3 ASP 46 2HB ASP 46 -2.346 -8.193 6.153
342 H GLY 47 H GLY 47 -1.477 -7.218 8.489
343 HA2 GLY 47 1HA GLY 47 -0.238 -7.125 10.546
344 HA3 GLY 47 2HA GLY 47 -0.276 -8.878 10.635
345 H LEU 48 H LEU 48 0.378 -8.356 7.451
346 HA LEU 48 HA LEU 48 3.288 -8.517 7.850
347 HB2 LEU 48 1HB LEU 48 1.597 -8.971 5.363
348 HB3 LEU 48 2HB LEU 48 3.353 -9.078 5.392
349 HG LEU 48 HG LEU 48 1.379 -10.911 6.810
350 HD11 LEU 48 1HD1 LEU 48 1.619 -11.352 4.423
351 HD12 LEU 48 2HD1 LEU 48 2.314 -12.663 5.370
352 HD13 LEU 48 3HD1 LEU 48 3.373 -11.482 4.589
353 HD21 LEU 48 3HD2 LEU 48 3.322 -12.196 7.645
354 HD22 LEU 48 1HD2 LEU 48 3.278 -10.565 8.311
355 HD23 LEU 48 2HD2 LEU 48 4.416 -10.957 7.020
356 H ARG 49 H ARG 49 4.562 -7.490 5.992
357 HA ARG 49 HA ARG 49 3.870 -4.703 5.418
358 HB2 ARG 49 1HB ARG 49 4.939 -4.606 7.648
359 HB3 ARG 49 2HB ARG 49 6.284 -5.588 7.082
360 HG2 ARG 49 1HG ARG 49 6.893 -3.720 5.499
361 HG3 ARG 49 2HG ARG 49 5.629 -2.737 6.244
362 HD2 ARG 49 1HD ARG 49 6.790 -2.873 8.412
363 HD3 ARG 49 2HD ARG 49 8.023 -3.923 7.698
364 HE ARG 49 HE ARG 49 7.757 -1.404 6.336
365 HH11 ARG 49 1HH1 ARG 49 9.313 -2.928 9.086
366 HH12 ARG 49 2HH1 ARG 49 10.610 -1.781 9.121
367 HH21 ARG 49 1HH2 ARG 49 9.480 0.069 6.391
368 HH22 ARG 49 2HH2 ARG 49 10.703 -0.092 7.608
369 H GLY 50 H GLY 50 5.036 -3.893 3.649
370 HA2 GLY 50 1HA GLY 50 7.430 -5.019 2.591
371 HA3 GLY 50 2HA GLY 50 6.034 -5.557 1.652
372 H TRP 51 H TRP 51 8.177 -3.904 0.710
373 HA TRP 51 HA TRP 51 7.080 -1.175 0.532
374 HB2 TRP 51 1HB TRP 51 9.379 -0.614 -0.441
375 HB3 TRP 51 2HB TRP 51 9.367 -1.116 1.243
376 HD1 TRP 51 HD1 TRP 51 10.379 -3.604 1.787
377 HE1 TRP 51 HE1 TRP 51 12.134 -5.004 0.546
378 HE3 TRP 51 HE3 TRP 51 10.289 -1.213 -2.739
379 HZ2 TRP 51 HZ2 TRP 51 13.320 -5.110 -2.004
380 HZ3 TRP 51 HZ3 TRP 51 11.765 -2.034 -4.534
381 HH2 TRP 51 HH2 TRP 51 13.251 -3.945 -4.171
382 H PHE 52 H PHE 52 6.251 -0.418 -1.271
383 HA PHE 52 HA PHE 52 6.619 -1.721 -3.884
384 HB2 PHE 52 1HB PHE 52 3.929 -1.197 -2.507
385 HB3 PHE 52 2HB PHE 52 4.063 -1.422 -4.248
386 HD1 PHE 52 HD1 PHE 52 4.572 -3.619 -5.204
387 HD2 PHE 52 HD2 PHE 52 4.293 -3.104 -0.967
388 HE1 PHE 52 HE1 PHE 52 4.530 -6.059 -4.904
389 HE2 PHE 52 HE2 PHE 52 4.252 -5.538 -0.682
390 HZ PHE 52 HZ PHE 52 4.373 -7.022 -2.642
391 HA PRO 53 HA PRO 53 6.903 2.542 -5.242
392 HB2 PRO 53 1HB PRO 53 6.248 2.374 -7.881
393 HB3 PRO 53 2HB PRO 53 7.727 1.641 -7.238
394 HG2 PRO 53 1HG PRO 53 5.071 0.338 -7.836
395 HG3 PRO 53 2HG PRO 53 6.705 -0.223 -8.255
396 HD2 PRO 53 1HD PRO 53 5.324 -1.180 -6.097
397 HD3 PRO 53 2HD PRO 53 7.097 -1.070 -6.119
398 H ALA 54 H ALA 54 5.697 4.334 -6.201
399 HA ALA 54 HA ALA 54 3.082 4.675 -5.146
400 HB1 ALA 54 3HB ALA 54 4.704 6.524 -5.350
401 HB2 ALA 54 1HB ALA 54 3.196 6.910 -6.184
402 HB3 ALA 54 2HB ALA 54 4.617 6.413 -7.109
403 H SER 55 H SER 55 4.192 3.350 -8.088
404 HA SER 55 HA SER 55 2.316 3.993 -10.018
405 HB2 SER 55 1HB SER 55 3.671 1.288 -9.632
406 HB3 SER 55 2HB SER 55 3.062 1.960 -11.151
407 HG SER 55 HG SER 55 4.995 2.766 -11.342
408 H TYR 56 H TYR 56 2.011 1.683 -7.343
409 HA TYR 56 HA TYR 56 -0.502 0.566 -8.418
410 HB2 TYR 56 1HB TYR 56 1.227 -0.334 -6.076
411 HB3 TYR 56 2HB TYR 56 -0.237 -1.154 -6.621
412 HD1 TYR 56 HD1 TYR 56 -0.280 -2.014 -9.081
413 HD2 TYR 56 HD2 TYR 56 3.330 -0.914 -7.068
414 HE1 TYR 56 HE1 TYR 56 1.024 -3.296 -10.715
415 HE2 TYR 56 HE2 TYR 56 4.631 -2.210 -8.708
416 HH TYR 56 HH TYR 56 4.287 -4.082 -10.287
417 H VAL 57 H VAL 57 0.434 3.009 -6.277
418 HA VAL 57 HA VAL 57 -2.148 2.908 -4.815
419 HB VAL 57 HB VAL 57 -1.089 3.963 -2.855
420 HG11 VAL 57 1HG1 VAL 57 -1.244 1.513 -2.864
421 HG12 VAL 57 2HG1 VAL 57 0.204 2.028 -2.001
422 HG13 VAL 57 3HG1 VAL 57 0.336 1.387 -3.642
423 HG21 VAL 57 3HG2 VAL 57 1.383 4.171 -2.633
424 HG22 VAL 57 1HG2 VAL 57 0.758 5.186 -3.936
425 HG23 VAL 57 2HG2 VAL 57 1.572 3.668 -4.315
426 H GLN 58 H GLN 58 -2.938 4.998 -4.106
427 HA GLN 58 HA GLN 58 -2.113 7.333 -5.732
428 HB2 GLN 58 1HB GLN 58 -4.140 6.247 -6.705
429 HB3 GLN 58 2HB GLN 58 -4.957 6.369 -5.150
430 HG2 GLN 58 1HG GLN 58 -4.830 8.854 -5.320
431 HG3 GLN 58 2HG GLN 58 -4.088 8.687 -6.910
432 HE21 GLN 58 2HE2 GLN 58 -5.804 6.432 -7.715
433 HE22 GLN 58 1HE2 GLN 58 -7.368 7.099 -8.007
434 H LEU 59 H LEU 59 -1.491 8.893 -4.332
435 HA LEU 59 HA LEU 59 -1.814 8.815 -1.544
436 HB2 LEU 59 1HB LEU 59 -1.106 11.139 -3.377
437 HB3 LEU 59 2HB LEU 59 -1.002 11.219 -1.622
438 HG LEU 59 HG LEU 59 0.630 9.343 -3.392
439 HD11 LEU 59 1HD1 LEU 59 2.553 10.763 -2.819
440 HD12 LEU 59 2HD1 LEU 59 1.497 11.861 -1.927
441 HD13 LEU 59 3HD1 LEU 59 1.311 11.679 -3.673
442 HD21 LEU 59 3HD2 LEU 59 1.893 8.818 -1.316
443 HD22 LEU 59 1HD2 LEU 59 0.204 8.324 -1.205
444 HD23 LEU 59 2HD2 LEU 59 0.751 9.783 -0.377
445 H LEU 60 H LEU 60 -3.330 9.583 -0.189
446 HA LEU 60 HA LEU 60 -5.727 10.937 -1.278
447 HB2 LEU 60 1HB LEU 60 -5.387 9.309 1.276
448 HB3 LEU 60 2HB LEU 60 -6.889 10.046 0.731
449 HG LEU 60 HG LEU 60 -5.400 7.777 -0.659
450 HD11 LEU 60 1HD1 LEU 60 -7.295 6.365 -0.006
451 HD12 LEU 60 2HD1 LEU 60 -8.009 7.710 0.887
452 HD13 LEU 60 3HD1 LEU 60 -6.462 7.029 1.398
453 HD21 LEU 60 3HD2 LEU 60 -8.039 9.075 -1.447
454 HD22 LEU 60 1HD2 LEU 60 -7.330 7.637 -2.193
455 HD23 LEU 60 2HD2 LEU 60 -6.511 9.189 -2.324
Start of MODEL 2
1 H1 MET 1 1H MET 1 -10.641 11.850 12.992
2 H2 MET 1 2H MET 1 -10.518 11.868 11.306
3 H3 MET 1 3H MET 1 -10.144 13.255 12.194
4 HA MET 1 HA MET 1 -8.268 12.168 13.202
5 HB2 MET 1 1HB MET 1 -9.302 9.863 13.093
6 HB3 MET 1 2HB MET 1 -8.978 9.828 11.369
7 HG2 MET 1 1HG MET 1 -6.812 10.053 13.476
8 HG3 MET 1 2HG MET 1 -7.374 8.530 12.801
9 HE1 MET 1 3HE MET 1 -6.183 8.761 9.079
10 HE2 MET 1 1HE MET 1 -7.784 9.145 9.705
11 HE3 MET 1 2HE MET 1 -6.914 7.734 10.314
12 H SER 2 H SER 2 -6.684 13.370 12.306
13 HA SER 2 HA SER 2 -6.544 13.796 9.416
14 HB2 SER 2 1HB SER 2 -6.281 15.734 10.950
15 HB3 SER 2 2HB SER 2 -4.861 14.977 11.671
16 HG SER 2 HG SER 2 -5.053 15.587 8.900
17 H GLY 3 H GLY 3 -5.041 12.826 8.104
18 HA2 GLY 3 1HA GLY 3 -2.543 11.754 8.984
19 HA3 GLY 3 2HA GLY 3 -3.735 10.473 8.776
20 H ALA 4 H ALA 4 -1.488 10.424 7.283
21 HA ALA 4 HA ALA 4 -2.306 11.240 4.556
22 HB1 ALA 4 3HB ALA 4 0.083 11.334 3.960
23 HB2 ALA 4 1HB ALA 4 0.525 10.885 5.614
24 HB3 ALA 4 2HB ALA 4 -0.273 12.426 5.300
25 H ARG 5 H ARG 5 -2.456 9.684 3.065
26 HA ARG 5 HA ARG 5 -1.166 7.109 3.259
27 HB2 ARG 5 1HB ARG 5 -3.078 5.697 3.359
28 HB3 ARG 5 2HB ARG 5 -3.377 6.891 4.613
29 HG2 ARG 5 1HG ARG 5 -4.602 7.038 1.827
30 HG3 ARG 5 2HG ARG 5 -5.381 6.237 3.190
31 HD2 ARG 5 1HD ARG 5 -4.593 9.173 3.163
32 HD3 ARG 5 2HD ARG 5 -6.202 8.563 2.748
33 HE ARG 5 HE ARG 5 -5.520 7.530 5.249
34 HH11 ARG 5 1HH1 ARG 5 -6.103 10.727 3.910
35 HH12 ARG 5 2HH1 ARG 5 -6.829 11.317 5.369
36 HH21 ARG 5 1HH2 ARG 5 -6.448 8.311 7.119
37 HH22 ARG 5 2HH2 ARG 5 -6.998 9.954 7.191
38 H CYS 6 H CYS 6 -1.933 5.743 1.311
39 HA CYS 6 HA CYS 6 -2.726 7.375 -1.033
40 HB2 CYS 6 1HB CYS 6 -0.830 4.990 -0.991
41 HB3 CYS 6 2HB CYS 6 -1.285 5.930 -2.414
42 HG CYS 6 HG CYS 6 -0.154 8.159 -0.437
43 H ARG 7 H ARG 7 -3.468 5.515 -2.826
44 HA ARG 7 HA ARG 7 -5.039 3.415 -1.498
45 HB2 ARG 7 1HB ARG 7 -6.515 5.422 -1.692
46 HB3 ARG 7 2HB ARG 7 -6.238 5.448 -3.431
47 HG2 ARG 7 1HG ARG 7 -7.407 3.350 -3.716
48 HG3 ARG 7 2HG ARG 7 -7.521 3.118 -1.972
49 HD2 ARG 7 1HD ARG 7 -9.670 3.830 -2.839
50 HD3 ARG 7 2HD ARG 7 -9.003 5.111 -1.822
51 HE ARG 7 HE ARG 7 -8.290 5.622 -4.504
52 HH11 ARG 7 1HH1 ARG 7 -11.190 5.580 -2.519
53 HH12 ARG 7 2HH1 ARG 7 -12.006 6.762 -3.485
54 HH21 ARG 7 1HH2 ARG 7 -9.385 7.163 -5.745
55 HH22 ARG 7 2HH2 ARG 7 -10.996 7.640 -5.313
56 H THR 8 H THR 8 -4.941 1.532 -2.613
57 HA THR 8 HA THR 8 -3.210 1.260 -4.848
58 HB THR 8 HB THR 8 -4.146 -1.193 -4.813
59 HG1 THR 8 HG1 THR 8 -5.097 -1.520 -2.582
60 HG21 THR 8 3HG2 THR 8 -2.814 -1.777 -2.829
61 HG22 THR 8 1HG2 THR 8 -2.797 -0.081 -2.320
62 HG23 THR 8 2HG2 THR 8 -1.974 -0.573 -3.800
63 H LEU 9 H LEU 9 -3.606 0.574 -6.944
64 HA LEU 9 HA LEU 9 -6.018 1.641 -8.174
65 HB2 LEU 9 1HB LEU 9 -3.574 0.340 -9.455
66 HB3 LEU 9 2HB LEU 9 -4.808 1.280 -10.291
67 HG LEU 9 HG LEU 9 -2.841 2.366 -8.227
68 HD11 LEU 9 1HD1 LEU 9 -1.723 1.786 -10.319
69 HD12 LEU 9 2HD1 LEU 9 -1.763 3.529 -10.083
70 HD13 LEU 9 3HD1 LEU 9 -2.869 2.771 -11.235
71 HD21 LEU 9 3HD2 LEU 9 -4.957 3.587 -8.138
72 HD22 LEU 9 1HD2 LEU 9 -4.904 3.861 -9.884
73 HD23 LEU 9 2HD2 LEU 9 -3.690 4.594 -8.829
74 H TYR 10 H TYR 10 -4.258 -1.464 -8.138
75 HA TYR 10 HA TYR 10 -6.734 -2.989 -8.623
76 HB2 TYR 10 1HB TYR 10 -4.178 -3.212 -10.309
77 HB3 TYR 10 2HB TYR 10 -5.479 -4.399 -10.341
78 HD1 TYR 10 HD2 TYR 10 -7.898 -3.463 -10.911
79 HD2 TYR 10 HD1 TYR 10 -4.263 -1.414 -11.848
80 HE1 TYR 10 HE2 TYR 10 -9.086 -2.116 -12.588
81 HE2 TYR 10 HE1 TYR 10 -5.461 -0.073 -13.510
82 HH TYR 10 HH TYR 10 -8.843 0.047 -13.707
83 HA PRO 11 HA PRO 11 -4.879 -5.838 -5.635
84 HB2 PRO 11 1HB PRO 11 -5.483 -8.245 -7.307
85 HB3 PRO 11 2HB PRO 11 -6.077 -7.822 -5.694
86 HG2 PRO 11 1HG PRO 11 -7.695 -7.683 -7.837
87 HG3 PRO 11 2HG PRO 11 -7.796 -6.482 -6.531
88 HD2 PRO 11 1HD PRO 11 -6.429 -6.230 -9.222
89 HD3 PRO 11 2HD PRO 11 -7.503 -5.077 -8.392
90 H PHE 12 H PHE 12 -2.728 -5.268 -5.861
91 HA PHE 12 HA PHE 12 -1.059 -6.527 -7.935
92 HB2 PHE 12 1HB PHE 12 -0.481 -4.244 -5.992
93 HB3 PHE 12 2HB PHE 12 0.699 -4.897 -7.124
94 HD1 PHE 12 HD1 PHE 12 -0.493 -5.152 -9.654
95 HD2 PHE 12 HD2 PHE 12 -1.323 -2.167 -6.704
96 HE1 PHE 12 HE1 PHE 12 -1.254 -3.610 -11.416
97 HE2 PHE 12 HE2 PHE 12 -2.085 -0.639 -8.475
98 HZ PHE 12 HZ PHE 12 -2.050 -1.355 -10.829
99 H SER 13 H SER 13 0.928 -7.500 -7.401
100 HA SER 13 HA SER 13 1.104 -8.776 -4.733
101 HB2 SER 13 1HB SER 13 1.634 -9.986 -7.488
102 HB3 SER 13 2HB SER 13 2.003 -10.796 -5.964
103 HG SER 13 HG SER 13 -0.059 -11.335 -6.967
104 H GLY 14 H GLY 14 2.631 -6.734 -6.945
105 HA2 GLY 14 1HA GLY 14 4.751 -5.727 -6.701
106 HA3 GLY 14 2HA GLY 14 5.304 -7.107 -5.763
107 H GLU 15 H GLU 15 4.590 -9.219 -7.342
108 HA GLU 15 HA GLU 15 5.205 -10.570 -9.035
109 HB2 GLU 15 1HB GLU 15 5.177 -7.991 -10.667
110 HB3 GLU 15 2HB GLU 15 5.309 -9.603 -11.372
111 HG2 GLU 15 1HG GLU 15 3.099 -10.198 -10.539
112 HG3 GLU 15 2HG GLU 15 2.957 -8.658 -9.693
113 H ARG 16 H ARG 16 7.260 -9.008 -7.415
114 HA ARG 16 HA ARG 16 9.656 -9.741 -8.986
115 HB2 ARG 16 1HB ARG 16 9.441 -7.535 -6.872
116 HB3 ARG 16 2HB ARG 16 10.902 -7.986 -7.758
117 HG2 ARG 16 1HG ARG 16 9.763 -7.268 -9.888
118 HG3 ARG 16 2HG ARG 16 8.385 -6.726 -8.922
119 HD2 ARG 16 1HD ARG 16 9.918 -5.141 -7.718
120 HD3 ARG 16 2HD ARG 16 11.229 -5.654 -8.792
121 HE ARG 16 HE ARG 16 8.846 -4.647 -10.127
122 HH11 ARG 16 1HH1 ARG 16 12.060 -3.844 -8.943
123 HH12 ARG 16 2HH1 ARG 16 12.138 -2.352 -9.817
124 HH21 ARG 16 1HH2 ARG 16 8.962 -2.673 -11.257
125 HH22 ARG 16 2HH2 ARG 16 10.381 -1.680 -11.127
126 H HIS 17 H HIS 17 11.383 -10.657 -7.707
127 HA HIS 17 HA HIS 17 10.529 -12.504 -5.700
128 HB2 HIS 17 1HB HIS 17 13.361 -11.794 -6.583
129 HB3 HIS 17 2HB HIS 17 12.918 -13.199 -5.609
130 HD2 HIS 17 HD2 HIS 17 10.768 -14.750 -7.209
131 HE1 HIS 17 HE1 HIS 17 13.104 -14.061 -10.668
132 HE2 HIS 17 HE2 HIS 17 11.112 -15.306 -9.713
133 H GLY 18 H GLY 18 11.302 -12.671 -3.511
134 HA2 GLY 18 1HA GLY 18 12.488 -11.804 -1.599
135 HA3 GLY 18 2HA GLY 18 12.296 -10.176 -2.237
136 H GLN 19 H GLN 19 10.696 -8.997 -1.326
137 HA GLN 19 HA GLN 19 8.720 -10.308 0.397
138 HB2 GLN 19 1HB GLN 19 10.097 -8.412 1.311
139 HB3 GLN 19 2HB GLN 19 9.380 -7.339 0.121
140 HG2 GLN 19 1HG GLN 19 8.302 -7.020 2.270
141 HG3 GLN 19 2HG GLN 19 7.155 -7.707 1.120
142 HE21 GLN 19 2HE2 GLN 19 9.061 -8.323 3.986
143 HE22 GLN 19 1HE2 GLN 19 8.252 -9.777 4.450
144 H GLY 20 H GLY 20 7.677 -11.156 -1.515
145 HA2 GLY 20 1HA GLY 20 6.046 -9.391 -3.158
146 HA3 GLY 20 2HA GLY 20 6.079 -11.153 -3.189
147 H LEU 21 H LEU 21 4.695 -8.355 -1.652
148 HA LEU 21 HA LEU 21 2.847 -9.985 -0.044
149 HB2 LEU 21 1HB LEU 21 4.056 -8.034 1.010
150 HB3 LEU 21 2HB LEU 21 3.228 -6.954 -0.098
151 HG LEU 21 HG LEU 21 1.030 -7.706 0.912
152 HD11 LEU 21 1HD1 LEU 21 1.722 -9.873 1.841
153 HD12 LEU 21 2HD1 LEU 21 1.006 -8.839 3.077
154 HD13 LEU 21 3HD1 LEU 21 2.760 -9.052 3.016
155 HD21 LEU 21 3HD2 LEU 21 2.985 -6.407 2.833
156 HD22 LEU 21 1HD2 LEU 21 1.224 -6.351 2.951
157 HD23 LEU 21 2HD2 LEU 21 2.038 -5.588 1.591
158 H ARG 22 H ARG 22 0.805 -10.367 -0.791
159 HA ARG 22 HA ARG 22 -0.360 -9.005 -3.069
160 HB2 ARG 22 1HB ARG 22 -1.417 -11.068 -1.099
161 HB3 ARG 22 2HB ARG 22 -2.518 -10.253 -2.192
162 HG2 ARG 22 1HG ARG 22 -2.041 -12.350 -3.169
163 HG3 ARG 22 2HG ARG 22 -1.168 -11.156 -4.123
164 HD2 ARG 22 1HD ARG 22 0.217 -12.693 -1.913
165 HD3 ARG 22 2HD ARG 22 0.003 -13.402 -3.518
166 HE ARG 22 HE ARG 22 1.203 -10.785 -3.571
167 HH11 ARG 22 1HH1 ARG 22 1.982 -14.152 -3.014
168 HH12 ARG 22 2HH1 ARG 22 3.583 -14.008 -3.668
169 HH21 ARG 22 1HH2 ARG 22 3.295 -10.627 -4.410
170 HH22 ARG 22 2HH2 ARG 22 4.314 -12.026 -4.463
171 H PHE 23 H PHE 23 -2.320 -7.669 -2.919
172 HA PHE 23 HA PHE 23 -3.286 -6.818 -0.330
173 HB2 PHE 23 1HB PHE 23 -1.188 -5.376 -0.894
174 HB3 PHE 23 2HB PHE 23 -2.179 -4.615 -2.132
175 HD1 PHE 23 HD2 PHE 23 -1.994 -5.300 1.541
176 HD2 PHE 23 HD1 PHE 23 -3.645 -2.823 -1.529
177 HE1 PHE 23 HE2 PHE 23 -2.878 -3.763 3.247
178 HE2 PHE 23 HE1 PHE 23 -4.516 -1.292 0.182
179 HZ PHE 23 HZ PHE 23 -4.140 -1.759 2.572
180 H ALA 24 H ALA 24 -5.248 -5.686 -0.468
181 HA ALA 24 HA ALA 24 -6.883 -6.395 -2.731
182 HB1 ALA 24 3HB ALA 24 -7.721 -6.648 -0.437
183 HB2 ALA 24 1HB ALA 24 -8.739 -5.526 -1.344
184 HB3 ALA 24 2HB ALA 24 -7.575 -4.913 -0.166
185 H ALA 25 H ALA 25 -7.890 -4.987 -4.180
186 HA ALA 25 HA ALA 25 -6.599 -2.526 -4.843
187 HB1 ALA 25 3HB ALA 25 -8.266 -2.393 -6.651
188 HB2 ALA 25 1HB ALA 25 -9.194 -3.700 -5.905
189 HB3 ALA 25 2HB ALA 25 -7.583 -4.014 -6.544
190 H GLY 26 H GLY 26 -7.296 -0.433 -4.616
191 HA2 GLY 26 1HA GLY 26 -8.622 1.375 -4.127
192 HA3 GLY 26 2HA GLY 26 -9.996 0.295 -3.940
193 H GLU 27 H GLU 27 -7.124 -0.338 -2.088
194 HA GLU 27 HA GLU 27 -8.521 0.521 0.383
195 HB2 GLU 27 1HB GLU 27 -6.476 -1.700 -0.048
196 HB3 GLU 27 2HB GLU 27 -7.140 -1.236 1.523
197 HG2 GLU 27 1HG GLU 27 -8.715 -2.348 -0.830
198 HG3 GLU 27 2HG GLU 27 -8.224 -3.249 0.607
199 H LEU 28 H LEU 28 -7.157 1.214 2.154
200 HA LEU 28 HA LEU 28 -5.487 3.375 1.227
201 HB2 LEU 28 1HB LEU 28 -6.314 2.665 4.078
202 HB3 LEU 28 2HB LEU 28 -5.569 4.175 3.561
203 HG LEU 28 HG LEU 28 -8.364 3.184 2.870
204 HD11 LEU 28 1HD1 LEU 28 -8.173 4.101 5.123
205 HD12 LEU 28 2HD1 LEU 28 -9.151 5.143 4.097
206 HD13 LEU 28 3HD1 LEU 28 -7.488 5.597 4.485
207 HD21 LEU 28 3HD2 LEU 28 -8.705 5.288 1.644
208 HD22 LEU 28 1HD2 LEU 28 -7.461 4.292 0.895
209 HD23 LEU 28 2HD2 LEU 28 -7.001 5.702 1.855
210 H ILE 29 H ILE 29 -3.350 3.294 1.101
211 HA ILE 29 HA ILE 29 -1.751 1.299 2.515
212 HB ILE 29 HB ILE 29 -0.953 3.496 0.538
213 HG12 ILE 29 1HG1 ILE 29 -2.289 1.746 -0.537
214 HG13 ILE 29 2HG1 ILE 29 -0.613 1.583 -1.049
215 HG21 ILE 29 1HG2 ILE 29 0.951 3.021 2.020
216 HG22 ILE 29 2HG2 ILE 29 1.270 2.391 0.403
217 HG23 ILE 29 3HG2 ILE 29 0.803 1.289 1.700
218 HD11 ILE 29 3HD1 ILE 29 -1.574 -0.574 -0.623
219 HD12 ILE 29 1HD1 ILE 29 -2.019 -0.101 1.013
220 HD13 ILE 29 2HD1 ILE 29 -0.315 -0.249 0.565
221 H THR 30 H THR 30 -1.522 1.778 4.606
222 HA THR 30 HA THR 30 -1.245 4.414 5.692
223 HB THR 30 HB THR 30 -0.654 3.150 7.818
224 HG1 THR 30 HG1 THR 30 0.294 1.293 6.977
225 HG21 THR 30 3HG2 THR 30 -3.021 3.692 7.294
226 HG22 THR 30 1HG2 THR 30 -2.892 2.147 8.139
227 HG23 THR 30 2HG2 THR 30 -3.171 2.179 6.396
228 H LEU 31 H LEU 31 0.493 5.583 5.238
229 HA LEU 31 HA LEU 31 2.945 4.525 4.267
230 HB2 LEU 31 1HB LEU 31 2.520 7.354 5.329
231 HB3 LEU 31 2HB LEU 31 3.740 6.810 4.186
232 HG LEU 31 HG LEU 31 0.748 7.092 3.670
233 HD11 LEU 31 1HD1 LEU 31 1.957 9.218 3.667
234 HD12 LEU 31 2HD1 LEU 31 1.403 8.814 2.047
235 HD13 LEU 31 3HD1 LEU 31 3.104 8.598 2.475
236 HD21 LEU 31 3HD2 LEU 31 2.857 6.000 1.761
237 HD22 LEU 31 1HD2 LEU 31 1.186 6.383 1.341
238 HD23 LEU 31 2HD2 LEU 31 1.529 5.094 2.486
239 H LEU 32 H LEU 32 3.817 3.137 5.736
240 HA LEU 32 HA LEU 32 4.227 3.661 8.528
241 HB2 LEU 32 1HB LEU 32 5.485 1.552 6.717
242 HB3 LEU 32 2HB LEU 32 5.530 1.542 8.474
243 HG LEU 32 HG LEU 32 3.018 1.223 6.779
244 HD11 LEU 32 1HD1 LEU 32 4.488 -0.718 6.572
245 HD12 LEU 32 2HD1 LEU 32 3.053 -1.125 7.496
246 HD13 LEU 32 3HD1 LEU 32 4.584 -0.870 8.330
247 HD21 LEU 32 3HD2 LEU 32 1.883 0.631 8.897
248 HD22 LEU 32 1HD2 LEU 32 2.495 2.286 8.930
249 HD23 LEU 32 2HD2 LEU 32 3.354 1.012 9.797
250 H GLN 33 H GLN 33 6.397 3.318 5.730
251 HA GLN 33 HA GLN 33 8.485 4.918 7.064
252 HB2 GLN 33 1HB GLN 33 8.646 3.261 4.495
253 HB3 GLN 33 2HB GLN 33 9.992 4.084 5.283
254 HG2 GLN 33 1HG GLN 33 8.422 1.717 6.377
255 HG3 GLN 33 2HG GLN 33 10.067 1.690 5.730
256 HE21 GLN 33 2HE2 GLN 33 8.063 2.485 8.468
257 HE22 GLN 33 1HE2 GLN 33 9.345 2.817 9.575
258 H VAL 34 H VAL 34 9.018 6.903 6.271
259 HA VAL 34 HA VAL 34 7.762 7.930 3.813
260 HB VAL 34 HB VAL 34 7.378 10.168 5.081
261 HG11 VAL 34 1HG1 VAL 34 5.593 7.799 5.788
262 HG12 VAL 34 2HG1 VAL 34 5.511 8.751 4.304
263 HG13 VAL 34 3HG1 VAL 34 5.120 9.500 5.852
264 HG21 VAL 34 3HG2 VAL 34 6.960 10.031 7.535
265 HG22 VAL 34 1HG2 VAL 34 8.643 9.651 7.154
266 HG23 VAL 34 2HG2 VAL 34 7.511 8.351 7.534
267 HA PRO 35 HA PRO 35 12.251 9.083 3.771
268 HB2 PRO 35 1HB PRO 35 12.789 8.326 1.232
269 HB3 PRO 35 2HB PRO 35 12.677 7.128 2.533
270 HG2 PRO 35 1HG PRO 35 10.598 7.911 0.484
271 HG3 PRO 35 2HG PRO 35 11.099 6.283 0.995
272 HD2 PRO 35 1HD PRO 35 8.862 7.548 1.983
273 HD3 PRO 35 2HD PRO 35 9.783 6.346 2.911
274 H ASP 36 H ASP 36 13.357 10.394 1.825
275 HA ASP 36 HA ASP 36 11.887 12.845 1.456
276 HB2 ASP 36 1HB ASP 36 14.553 11.960 0.266
277 HB3 ASP 36 2HB ASP 36 13.930 13.609 0.241
278 H GLY 37 H GLY 37 12.386 9.952 -0.403
279 HA2 GLY 37 1HA GLY 37 10.259 10.444 -2.176
280 HA3 GLY 37 2HA GLY 37 11.766 10.817 -3.015
281 H GLY 38 H GLY 38 10.380 8.879 -4.115
282 HA2 GLY 38 1HA GLY 38 11.280 6.853 -5.060
283 HA3 GLY 38 2HA GLY 38 11.806 6.364 -3.456
284 H TRP 39 H TRP 39 10.372 5.318 -2.110
285 HA TRP 39 HA TRP 39 7.584 4.910 -2.973
286 HB2 TRP 39 1HB TRP 39 7.754 2.492 -2.818
287 HB3 TRP 39 2HB TRP 39 9.028 3.041 -3.895
288 HD1 TRP 39 HD1 TRP 39 11.600 3.240 -2.584
289 HE1 TRP 39 HE1 TRP 39 12.623 1.566 -0.923
290 HE3 TRP 39 HE3 TRP 39 7.340 0.820 -1.123
291 HZ2 TRP 39 HZ2 TRP 39 11.756 -0.506 0.790
292 HZ3 TRP 39 HZ3 TRP 39 7.505 -0.996 0.520
293 HH2 TRP 39 HH2 TRP 39 9.675 -1.650 1.469
294 H TRP 40 H TRP 40 6.286 3.838 -1.226
295 HA TRP 40 HA TRP 40 7.292 4.406 1.513
296 HB2 TRP 40 1HB TRP 40 4.428 4.732 0.484
297 HB3 TRP 40 2HB TRP 40 4.944 4.974 2.153
298 HD1 TRP 40 HD1 TRP 40 6.635 7.140 2.567
299 HE1 TRP 40 HE1 TRP 40 6.703 9.405 1.367
300 HE3 TRP 40 HE3 TRP 40 4.078 5.893 -1.681
301 HZ2 TRP 40 HZ2 TRP 40 5.800 10.536 -1.042
302 HZ3 TRP 40 HZ3 TRP 40 3.719 7.626 -3.387
303 HH2 TRP 40 HH2 TRP 40 4.563 9.901 -3.075
304 H GLU 41 H GLU 41 6.658 2.928 3.108
305 HA GLU 41 HA GLU 41 5.934 0.260 2.153
306 HB2 GLU 41 1HB GLU 41 7.878 0.557 3.681
307 HB3 GLU 41 2HB GLU 41 6.805 1.257 4.893
308 HG2 GLU 41 1HG GLU 41 5.589 -0.907 5.050
309 HG3 GLU 41 2HG GLU 41 6.705 -1.601 3.862
310 H GLY 42 H GLY 42 3.991 -0.704 2.650
311 HA2 GLY 42 1HA GLY 42 2.011 0.761 4.316
312 HA3 GLY 42 2HA GLY 42 1.598 -0.112 2.846
313 H GLU 43 H GLU 43 0.419 -0.601 5.357
314 HA GLU 43 HA GLU 43 1.560 -3.195 6.209
315 HB2 GLU 43 1HB GLU 43 1.343 -1.271 7.890
316 HB3 GLU 43 2HB GLU 43 -0.400 -1.466 7.777
317 HG2 GLU 43 1HG GLU 43 -0.202 -3.769 8.609
318 HG3 GLU 43 2HG GLU 43 1.552 -3.613 8.682
319 H LYS 44 H LYS 44 0.482 -4.885 5.403
320 HA LYS 44 HA LYS 44 -2.295 -4.832 4.587
321 HB2 LYS 44 1HB LYS 44 -0.452 -6.284 3.527
322 HB3 LYS 44 2HB LYS 44 -0.531 -7.297 4.965
323 HG2 LYS 44 1HG LYS 44 -2.909 -7.776 4.470
324 HG3 LYS 44 2HG LYS 44 -2.803 -6.760 3.032
325 HD2 LYS 44 1HD LYS 44 -1.013 -8.343 2.171
326 HD3 LYS 44 2HD LYS 44 -1.377 -9.391 3.550
327 HE2 LYS 44 1HE LYS 44 -3.304 -8.583 1.337
328 HE3 LYS 44 2HE LYS 44 -2.572 -10.173 1.562
329 HZ1 LYS 44 3HZ LYS 44 -4.417 -8.860 3.485
330 HZ2 LYS 44 1HZ LYS 44 -3.761 -10.414 3.634
331 HZ3 LYS 44 2HZ LYS 44 -4.850 -10.064 2.386
332 H GLU 45 H GLU 45 -3.940 -6.268 5.585
333 HA GLU 45 HA GLU 45 -4.194 -5.703 8.356
334 HB2 GLU 45 1HB GLU 45 -5.921 -7.401 6.521
335 HB3 GLU 45 2HB GLU 45 -6.383 -6.918 8.158
336 HG2 GLU 45 1HG GLU 45 -6.329 -4.552 7.491
337 HG3 GLU 45 2HG GLU 45 -5.798 -5.003 5.868
338 H ASP 46 H ASP 46 -2.637 -8.333 6.887
339 HA ASP 46 HA ASP 46 -2.984 -10.293 8.985
340 HB2 ASP 46 1HB ASP 46 -0.830 -10.069 6.826
341 HB3 ASP 46 2HB ASP 46 -1.064 -11.467 7.876
342 H GLY 47 H GLY 47 -1.411 -7.353 8.924
343 HA2 GLY 47 1HA GLY 47 0.023 -6.354 10.453
344 HA3 GLY 47 2HA GLY 47 0.436 -7.933 11.105
345 H LEU 48 H LEU 48 0.673 -8.335 7.873
346 HA LEU 48 HA LEU 48 3.558 -8.289 7.853
347 HB2 LEU 48 1HB LEU 48 1.520 -9.058 5.730
348 HB3 LEU 48 2HB LEU 48 3.260 -9.192 5.504
349 HG LEU 48 HG LEU 48 1.608 -10.733 7.557
350 HD11 LEU 48 1HD1 LEU 48 2.939 -11.694 4.995
351 HD12 LEU 48 2HD1 LEU 48 1.204 -11.545 5.288
352 HD13 LEU 48 3HD1 LEU 48 2.146 -12.725 6.193
353 HD21 LEU 48 3HD2 LEU 48 4.589 -10.904 6.968
354 HD22 LEU 48 1HD2 LEU 48 3.683 -11.979 8.038
355 HD23 LEU 48 2HD2 LEU 48 3.843 -10.272 8.439
356 H ARG 49 H ARG 49 4.856 -6.970 6.721
357 HA ARG 49 HA ARG 49 3.750 -4.558 5.415
358 HB2 ARG 49 1HB ARG 49 6.613 -4.932 6.401
359 HB3 ARG 49 2HB ARG 49 5.775 -3.420 6.033
360 HG2 ARG 49 1HG ARG 49 4.332 -3.751 8.019
361 HG3 ARG 49 2HG ARG 49 5.164 -5.268 8.378
362 HD2 ARG 49 1HD ARG 49 7.317 -3.867 8.522
363 HD3 ARG 49 2HD ARG 49 6.272 -2.443 8.505
364 HE ARG 49 HE ARG 49 6.748 -4.234 10.688
365 HH11 ARG 49 1HH1 ARG 49 4.374 -1.993 9.414
366 HH12 ARG 49 2HH1 ARG 49 3.563 -1.800 10.932
367 HH21 ARG 49 1HH2 ARG 49 5.698 -3.958 12.678
368 HH22 ARG 49 2HH2 ARG 49 4.332 -2.894 12.784
369 H GLY 50 H GLY 50 4.711 -3.928 3.377
370 HA2 GLY 50 1HA GLY 50 6.479 -5.792 2.000
371 HA3 GLY 50 2HA GLY 50 4.819 -5.767 1.420
372 H TRP 51 H TRP 51 6.347 -5.259 -0.487
373 HA TRP 51 HA TRP 51 7.261 -2.568 -0.788
374 HB2 TRP 51 1HB TRP 51 7.000 -4.984 -2.577
375 HB3 TRP 51 2HB TRP 51 7.188 -3.411 -3.345
376 HD1 TRP 51 HD1 TRP 51 9.136 -5.887 -1.110
377 HE1 TRP 51 HE1 TRP 51 11.627 -5.239 -1.203
378 HE3 TRP 51 HE3 TRP 51 8.731 -1.524 -3.724
379 HZ2 TRP 51 HZ2 TRP 51 13.209 -3.141 -2.230
380 HZ3 TRP 51 HZ3 TRP 51 10.777 -0.248 -4.229
381 HH2 TRP 51 HH2 TRP 51 12.971 -1.044 -3.497
382 H PHE 52 H PHE 52 6.104 -0.828 -1.245
383 HA PHE 52 HA PHE 52 3.732 -1.004 -2.932
384 HB2 PHE 52 1HB PHE 52 3.790 0.376 -0.215
385 HB3 PHE 52 2HB PHE 52 2.557 0.709 -1.432
386 HD1 PHE 52 HD2 PHE 52 1.165 -1.279 -2.301
387 HD2 PHE 52 HD1 PHE 52 3.512 -1.477 1.268
388 HE1 PHE 52 HE2 PHE 52 -0.123 -3.236 -1.552
389 HE2 PHE 52 HE1 PHE 52 2.224 -3.437 1.999
390 HZ PHE 52 HZ PHE 52 0.404 -4.316 0.592
391 HA PRO 53 HA PRO 53 6.445 2.323 -4.676
392 HB2 PRO 53 1HB PRO 53 5.133 1.247 -7.152
393 HB3 PRO 53 2HB PRO 53 6.842 1.606 -6.858
394 HG2 PRO 53 1HG PRO 53 5.967 -0.935 -6.966
395 HG3 PRO 53 2HG PRO 53 7.230 -0.451 -5.810
396 HD2 PRO 53 1HD PRO 53 4.288 -0.904 -5.330
397 HD3 PRO 53 2HD PRO 53 5.680 -1.402 -4.344
398 H ALA 54 H ALA 54 5.744 4.317 -5.383
399 HA ALA 54 HA ALA 54 3.080 5.211 -5.077
400 HB1 ALA 54 3HB ALA 54 5.047 6.693 -4.852
401 HB2 ALA 54 1HB ALA 54 3.895 7.332 -6.028
402 HB3 ALA 54 2HB ALA 54 5.371 6.532 -6.578
403 H SER 55 H SER 55 4.667 3.600 -7.660
404 HA SER 55 HA SER 55 3.081 4.317 -9.893
405 HB2 SER 55 1HB SER 55 4.466 1.647 -9.367
406 HB3 SER 55 2HB SER 55 4.039 2.337 -10.945
407 HG SER 55 HG SER 55 5.470 4.153 -10.226
408 H TYR 56 H TYR 56 2.704 1.945 -7.308
409 HA TYR 56 HA TYR 56 0.547 0.448 -8.548
410 HB2 TYR 56 1HB TYR 56 1.978 0.284 -5.863
411 HB3 TYR 56 2HB TYR 56 0.565 -0.710 -6.207
412 HD1 TYR 56 HD1 TYR 56 2.883 -0.066 -8.997
413 HD2 TYR 56 HD2 TYR 56 1.971 -2.708 -5.761
414 HE1 TYR 56 HE1 TYR 56 4.321 -1.794 -9.990
415 HE2 TYR 56 HE2 TYR 56 3.407 -4.427 -6.763
416 HH TYR 56 HH TYR 56 4.272 -5.006 -9.059
417 H VAL 57 H VAL 57 0.687 3.323 -6.799
418 HA VAL 57 HA VAL 57 -2.087 3.097 -5.819
419 HB VAL 57 HB VAL 57 -1.455 4.296 -3.732
420 HG11 VAL 57 1HG1 VAL 57 -1.614 1.859 -3.613
421 HG12 VAL 57 2HG1 VAL 57 -0.294 2.417 -2.588
422 HG13 VAL 57 3HG1 VAL 57 0.063 1.693 -4.153
423 HG21 VAL 57 3HG2 VAL 57 0.574 5.474 -4.499
424 HG22 VAL 57 1HG2 VAL 57 1.431 3.938 -4.663
425 HG23 VAL 57 2HG2 VAL 57 0.945 4.515 -3.066
426 H GLN 58 H GLN 58 -3.294 4.931 -5.969
427 HA GLN 58 HA GLN 58 -2.165 7.345 -7.178
428 HB2 GLN 58 1HB GLN 58 -4.476 6.140 -7.820
429 HB3 GLN 58 2HB GLN 58 -5.093 7.044 -6.450
430 HG2 GLN 58 1HG GLN 58 -3.842 8.185 -8.968
431 HG3 GLN 58 2HG GLN 58 -5.551 8.210 -8.543
432 HE21 GLN 58 2HE2 GLN 58 -6.242 9.606 -6.813
433 HE22 GLN 58 1HE2 GLN 58 -5.285 10.972 -6.360
434 H LEU 59 H LEU 59 -1.701 9.079 -5.948
435 HA LEU 59 HA LEU 59 -1.678 8.951 -3.106
436 HB2 LEU 59 1HB LEU 59 -1.190 11.393 -4.865
437 HB3 LEU 59 2HB LEU 59 -0.649 11.162 -3.204
438 HG LEU 59 HG LEU 59 0.350 9.609 -5.635
439 HD11 LEU 59 1HD1 LEU 59 1.778 11.724 -3.986
440 HD12 LEU 59 2HD1 LEU 59 1.173 11.911 -5.633
441 HD13 LEU 59 3HD1 LEU 59 2.483 10.781 -5.304
442 HD21 LEU 59 3HD2 LEU 59 1.264 9.393 -2.740
443 HD22 LEU 59 1HD2 LEU 59 2.007 8.587 -4.127
444 HD23 LEU 59 2HD2 LEU 59 0.366 8.173 -3.647
445 H LEU 60 H LEU 60 -3.291 9.532 -1.716
446 HA LEU 60 HA LEU 60 -5.697 10.848 -2.689
447 HB2 LEU 60 1HB LEU 60 -4.997 9.742 0.055
448 HB3 LEU 60 2HB LEU 60 -6.547 10.467 -0.353
449 HG LEU 60 HG LEU 60 -5.394 7.894 -1.508
450 HD11 LEU 60 1HD1 LEU 60 -7.814 8.362 0.264
451 HD12 LEU 60 2HD1 LEU 60 -6.287 7.622 0.748
452 HD13 LEU 60 3HD1 LEU 60 -7.317 6.811 -0.426
453 HD21 LEU 60 3HD2 LEU 60 -6.587 9.071 -3.280
454 HD22 LEU 60 1HD2 LEU 60 -7.996 9.290 -2.234
455 HD23 LEU 60 2HD2 LEU 60 -7.517 7.671 -2.757
Start of MODEL 3
1 H1 MET 1 1H MET 1 3.195 6.574 9.065
2 H2 MET 1 2H MET 1 2.691 8.137 9.456
3 H3 MET 1 3H MET 1 2.164 7.412 8.025
4 HA MET 1 HA MET 1 0.921 5.781 9.211
5 HB2 MET 1 1HB MET 1 2.035 7.196 11.665
6 HB3 MET 1 2HB MET 1 0.715 6.040 11.735
7 HG2 MET 1 1HG MET 1 2.181 4.250 11.007
8 HG3 MET 1 2HG MET 1 3.502 5.391 10.744
9 HE1 MET 1 3HE MET 1 1.113 3.838 13.564
10 HE2 MET 1 1HE MET 1 0.984 5.586 13.812
11 HE3 MET 1 2HE MET 1 1.815 4.580 14.996
12 H SER 2 H SER 2 1.203 9.044 10.655
13 HA SER 2 HA SER 2 -1.577 9.491 10.944
14 HB2 SER 2 1HB SER 2 0.123 10.577 12.373
15 HB3 SER 2 2HB SER 2 0.745 11.468 10.987
16 HG SER 2 HG SER 2 -1.355 12.027 12.597
17 H GLY 3 H GLY 3 -2.634 9.231 8.967
18 HA2 GLY 3 1HA GLY 3 -3.867 10.292 7.314
19 HA3 GLY 3 2HA GLY 3 -2.747 11.644 7.333
20 H ALA 4 H ALA 4 -0.356 10.095 6.875
21 HA ALA 4 HA ALA 4 -0.215 10.147 4.095
22 HB1 ALA 4 3HB ALA 4 1.632 8.691 6.016
23 HB2 ALA 4 1HB ALA 4 1.748 10.388 5.540
24 HB3 ALA 4 2HB ALA 4 1.997 9.121 4.339
25 H ARG 5 H ARG 5 -1.446 8.866 2.844
26 HA ARG 5 HA ARG 5 -1.262 5.946 3.039
27 HB2 ARG 5 1HB ARG 5 -3.935 7.422 2.890
28 HB3 ARG 5 2HB ARG 5 -3.724 5.679 2.708
29 HG2 ARG 5 1HG ARG 5 -2.924 5.535 5.044
30 HG3 ARG 5 2HG ARG 5 -3.137 7.281 5.216
31 HD2 ARG 5 1HD ARG 5 -5.586 6.947 4.666
32 HD3 ARG 5 2HD ARG 5 -5.299 5.206 4.750
33 HE ARG 5 HE ARG 5 -4.551 5.617 7.111
34 HH11 ARG 5 1HH1 ARG 5 -6.861 7.816 5.620
35 HH12 ARG 5 2HH1 ARG 5 -7.549 8.312 7.133
36 HH21 ARG 5 1HH2 ARG 5 -5.420 6.294 9.076
37 HH22 ARG 5 2HH2 ARG 5 -6.719 7.445 9.111
38 H CYS 6 H CYS 6 -2.292 4.910 1.183
39 HA CYS 6 HA CYS 6 -2.503 6.472 -1.309
40 HB2 CYS 6 1HB CYS 6 -1.078 3.779 -0.988
41 HB3 CYS 6 2HB CYS 6 -1.348 4.633 -2.509
42 HG CYS 6 HG CYS 6 0.194 6.671 -0.497
43 H ARG 7 H ARG 7 -3.645 5.038 -2.985
44 HA ARG 7 HA ARG 7 -5.554 3.123 -1.774
45 HB2 ARG 7 1HB ARG 7 -6.731 5.216 -2.425
46 HB3 ARG 7 2HB ARG 7 -6.099 5.079 -4.064
47 HG2 ARG 7 1HG ARG 7 -7.328 2.846 -4.216
48 HG3 ARG 7 2HG ARG 7 -8.116 3.265 -2.690
49 HD2 ARG 7 1HD ARG 7 -8.254 4.863 -5.274
50 HD3 ARG 7 2HD ARG 7 -9.518 3.796 -4.658
51 HE ARG 7 HE ARG 7 -9.066 5.644 -2.653
52 HH11 ARG 7 1HH1 ARG 7 -10.041 5.852 -6.032
53 HH12 ARG 7 2HH1 ARG 7 -11.073 7.218 -5.763
54 HH21 ARG 7 1HH2 ARG 7 -10.420 7.425 -2.338
55 HH22 ARG 7 2HH2 ARG 7 -11.277 8.123 -3.673
56 H THR 8 H THR 8 -5.781 1.245 -2.896
57 HA THR 8 HA THR 8 -3.806 0.556 -4.890
58 HB THR 8 HB THR 8 -4.801 -1.739 -4.647
59 HG1 THR 8 HG1 THR 8 -6.393 -1.883 -2.870
60 HG21 THR 8 3HG2 THR 8 -4.142 -2.102 -2.287
61 HG22 THR 8 1HG2 THR 8 -4.203 -0.363 -1.990
62 HG23 THR 8 2HG2 THR 8 -2.994 -1.030 -3.094
63 H LEU 9 H LEU 9 -4.173 0.202 -7.026
64 HA LEU 9 HA LEU 9 -6.509 1.334 -8.271
65 HB2 LEU 9 1HB LEU 9 -4.188 -0.200 -9.511
66 HB3 LEU 9 2HB LEU 9 -5.351 0.794 -10.385
67 HG LEU 9 HG LEU 9 -3.316 1.821 -8.353
68 HD11 LEU 9 1HD1 LEU 9 -3.327 2.077 -11.378
69 HD12 LEU 9 2HD1 LEU 9 -2.219 1.103 -10.405
70 HD13 LEU 9 3HD1 LEU 9 -2.191 2.859 -10.272
71 HD21 LEU 9 3HD2 LEU 9 -5.294 3.359 -10.068
72 HD22 LEU 9 1HD2 LEU 9 -4.018 4.074 -9.075
73 HD23 LEU 9 2HD2 LEU 9 -5.330 3.184 -8.311
74 H TYR 10 H TYR 10 -4.965 -1.861 -8.648
75 HA TYR 10 HA TYR 10 -7.543 -3.279 -8.635
76 HB2 TYR 10 1HB TYR 10 -5.501 -3.415 -10.930
77 HB3 TYR 10 2HB TYR 10 -6.839 -4.542 -10.738
78 HD1 TYR 10 HD2 TYR 10 -9.233 -3.522 -10.650
79 HD2 TYR 10 HD1 TYR 10 -5.850 -1.407 -12.193
80 HE1 TYR 10 HE2 TYR 10 -10.733 -1.979 -11.812
81 HE2 TYR 10 HE1 TYR 10 -7.366 0.147 -13.354
82 HH TYR 10 HH TYR 10 -10.590 0.464 -12.663
83 HA PRO 11 HA PRO 11 -5.088 -6.230 -6.302
84 HB2 PRO 11 1HB PRO 11 -6.112 -8.683 -7.011
85 HB3 PRO 11 2HB PRO 11 -6.983 -7.542 -5.976
86 HG2 PRO 11 1HG PRO 11 -7.275 -8.016 -8.943
87 HG3 PRO 11 2HG PRO 11 -8.546 -7.856 -7.714
88 HD2 PRO 11 1HD PRO 11 -7.877 -5.786 -9.314
89 HD3 PRO 11 2HD PRO 11 -8.348 -5.522 -7.618
90 H PHE 12 H PHE 12 -3.100 -5.723 -7.342
91 HA PHE 12 HA PHE 12 -2.235 -7.250 -9.688
92 HB2 PHE 12 1HB PHE 12 -0.771 -5.087 -8.102
93 HB3 PHE 12 2HB PHE 12 -0.190 -5.822 -9.588
94 HD1 PHE 12 HD1 PHE 12 -2.279 -5.729 -11.505
95 HD2 PHE 12 HD2 PHE 12 -1.436 -2.870 -8.429
96 HE1 PHE 12 HE1 PHE 12 -3.341 -3.958 -12.847
97 HE2 PHE 12 HE2 PHE 12 -2.512 -1.116 -9.773
98 HZ PHE 12 HZ PHE 12 -3.460 -1.654 -11.980
99 H SER 13 H SER 13 -0.575 -8.664 -9.692
100 HA SER 13 HA SER 13 1.154 -9.135 -7.417
101 HB2 SER 13 1HB SER 13 0.668 -11.628 -7.439
102 HB3 SER 13 2HB SER 13 -0.664 -10.652 -6.819
103 HG SER 13 HG SER 13 -1.823 -11.057 -8.602
104 H GLY 14 H GLY 14 2.967 -10.621 -8.077
105 HA2 GLY 14 1HA GLY 14 3.992 -9.934 -10.649
106 HA3 GLY 14 2HA GLY 14 4.711 -11.055 -9.501
107 H GLU 15 H GLU 15 4.085 -13.234 -9.517
108 HA GLU 15 HA GLU 15 2.324 -14.279 -11.623
109 HB2 GLU 15 1HB GLU 15 5.262 -15.081 -11.307
110 HB3 GLU 15 2HB GLU 15 4.086 -16.057 -12.187
111 HG2 GLU 15 1HG GLU 15 3.818 -14.408 -13.882
112 HG3 GLU 15 2HG GLU 15 4.663 -13.179 -12.938
113 H ARG 16 H ARG 16 1.786 -16.613 -11.192
114 HA ARG 16 HA ARG 16 1.229 -16.983 -8.392
115 HB2 ARG 16 1HB ARG 16 -0.428 -17.609 -10.120
116 HB3 ARG 16 2HB ARG 16 0.668 -18.829 -10.756
117 HG2 ARG 16 1HG ARG 16 -1.097 -19.843 -9.367
118 HG3 ARG 16 2HG ARG 16 0.503 -20.112 -8.671
119 HD2 ARG 16 1HD ARG 16 0.074 -18.179 -7.107
120 HD3 ARG 16 2HD ARG 16 -1.567 -18.079 -7.761
121 HE ARG 16 HE ARG 16 -0.754 -20.663 -6.682
122 HH11 ARG 16 1HH1 ARG 16 -2.506 -17.675 -6.083
123 HH12 ARG 16 2HH1 ARG 16 -3.329 -18.301 -4.697
124 HH21 ARG 16 1HH2 ARG 16 -1.838 -21.473 -4.878
125 HH22 ARG 16 2HH2 ARG 16 -2.954 -20.466 -4.010
126 H HIS 17 H HIS 17 3.390 -17.071 -7.613
127 HA HIS 17 HA HIS 17 4.133 -19.486 -6.575
128 HB2 HIS 17 1HB HIS 17 5.034 -19.808 -9.053
129 HB3 HIS 17 2HB HIS 17 6.336 -18.738 -8.565
130 HD2 HIS 17 HD2 HIS 17 7.425 -19.884 -5.878
131 HE1 HIS 17 HE1 HIS 17 7.164 -23.715 -7.640
132 HE2 HIS 17 HE2 HIS 17 8.318 -22.315 -5.868
133 H GLY 18 H GLY 18 5.497 -16.491 -7.926
134 HA2 GLY 18 1HA GLY 18 7.439 -15.982 -5.931
135 HA3 GLY 18 2HA GLY 18 6.822 -14.829 -7.101
136 H GLN 19 H GLN 19 7.518 -14.415 -4.316
137 HA GLN 19 HA GLN 19 5.088 -14.189 -2.758
138 HB2 GLN 19 1HB GLN 19 7.953 -13.335 -2.161
139 HB3 GLN 19 2HB GLN 19 6.626 -13.271 -1.001
140 HG2 GLN 19 1HG GLN 19 6.400 -15.713 -1.091
141 HG3 GLN 19 2HG GLN 19 7.675 -15.811 -2.305
142 HE21 GLN 19 2HE2 GLN 19 7.485 -16.998 0.388
143 HE22 GLN 19 1HE2 GLN 19 8.881 -16.460 1.252
144 H GLY 20 H GLY 20 4.538 -12.188 -1.630
145 HA2 GLY 20 1HA GLY 20 5.234 -9.597 -2.114
146 HA3 GLY 20 2HA GLY 20 4.129 -9.988 -3.435
147 H LEU 21 H LEU 21 3.531 -8.018 -1.506
148 HA LEU 21 HA LEU 21 1.613 -9.210 0.365
149 HB2 LEU 21 1HB LEU 21 3.054 -7.354 1.165
150 HB3 LEU 21 2HB LEU 21 2.380 -6.287 -0.057
151 HG LEU 21 HG LEU 21 0.171 -6.356 1.037
152 HD11 LEU 21 1HD1 LEU 21 0.190 -8.650 1.883
153 HD12 LEU 21 2HD1 LEU 21 -0.175 -7.515 3.179
154 HD13 LEU 21 3HD1 LEU 21 1.436 -8.227 3.065
155 HD21 LEU 21 3HD2 LEU 21 1.774 -4.658 1.815
156 HD22 LEU 21 1HD2 LEU 21 2.386 -5.774 3.037
157 HD23 LEU 21 2HD2 LEU 21 0.725 -5.180 3.131
158 H ARG 22 H ARG 22 -0.381 -9.599 -0.292
159 HA ARG 22 HA ARG 22 -1.401 -8.535 -2.802
160 HB2 ARG 22 1HB ARG 22 -3.211 -10.191 -2.628
161 HB3 ARG 22 2HB ARG 22 -1.640 -10.957 -2.454
162 HG2 ARG 22 1HG ARG 22 -3.334 -10.243 -0.041
163 HG3 ARG 22 2HG ARG 22 -3.578 -11.749 -0.931
164 HD2 ARG 22 1HD ARG 22 -0.998 -10.886 0.440
165 HD3 ARG 22 2HD ARG 22 -2.149 -12.083 1.051
166 HE ARG 22 HE ARG 22 -0.694 -12.431 -1.513
167 HH11 ARG 22 1HH1 ARG 22 -1.727 -13.766 1.575
168 HH12 ARG 22 2HH1 ARG 22 -1.033 -15.325 1.270
169 HH21 ARG 22 1HH2 ARG 22 0.183 -14.478 -1.914
170 HH22 ARG 22 2HH2 ARG 22 0.042 -15.730 -0.720
171 H PHE 23 H PHE 23 -3.575 -7.751 -3.010
172 HA PHE 23 HA PHE 23 -4.848 -6.402 -0.800
173 HB2 PHE 23 1HB PHE 23 -4.462 -4.091 -1.868
174 HB3 PHE 23 2HB PHE 23 -3.090 -4.804 -1.031
175 HD1 PHE 23 HD2 PHE 23 -4.477 -4.024 -4.399
176 HD2 PHE 23 HD1 PHE 23 -1.047 -5.331 -2.209
177 HE1 PHE 23 HE2 PHE 23 -3.071 -3.709 -6.386
178 HE2 PHE 23 HE1 PHE 23 0.341 -5.018 -4.209
179 HZ PHE 23 HZ PHE 23 -0.673 -4.210 -6.295
180 H ALA 24 H ALA 24 -6.867 -5.560 -1.349
181 HA ALA 24 HA ALA 24 -8.047 -6.479 -3.885
182 HB1 ALA 24 3HB ALA 24 -10.213 -6.035 -2.786
183 HB2 ALA 24 1HB ALA 24 -9.378 -5.366 -1.373
184 HB3 ALA 24 2HB ALA 24 -9.203 -7.076 -1.782
185 H ALA 25 H ALA 25 -9.194 -5.048 -5.257
186 HA ALA 25 HA ALA 25 -8.004 -2.543 -5.758
187 HB1 ALA 25 3HB ALA 25 -9.066 -3.850 -7.546
188 HB2 ALA 25 1HB ALA 25 -9.767 -2.235 -7.467
189 HB3 ALA 25 2HB ALA 25 -10.650 -3.616 -6.809
190 H GLY 26 H GLY 26 -8.212 -0.757 -4.508
191 HA2 GLY 26 1HA GLY 26 -9.638 1.187 -4.187
192 HA3 GLY 26 2HA GLY 26 -10.941 0.120 -3.686
193 H GLU 27 H GLU 27 -8.493 -1.327 -2.141
194 HA GLU 27 HA GLU 27 -9.140 -0.117 0.384
195 HB2 GLU 27 1HB GLU 27 -7.643 -1.711 1.428
196 HB3 GLU 27 2HB GLU 27 -8.574 -2.553 0.197
197 HG2 GLU 27 1HG GLU 27 -6.698 -2.662 -1.278
198 HG3 GLU 27 2HG GLU 27 -5.762 -1.537 -0.295
199 H LEU 28 H LEU 28 -7.460 0.586 1.929
200 HA LEU 28 HA LEU 28 -5.766 2.641 0.681
201 HB2 LEU 28 1HB LEU 28 -6.836 2.401 3.529
202 HB3 LEU 28 2HB LEU 28 -5.750 3.668 2.977
203 HG LEU 28 HG LEU 28 -7.570 4.338 1.302
204 HD11 LEU 28 1HD1 LEU 28 -9.327 2.563 3.012
205 HD12 LEU 28 2HD1 LEU 28 -8.945 2.329 1.302
206 HD13 LEU 28 3HD1 LEU 28 -9.889 3.729 1.809
207 HD21 LEU 28 3HD2 LEU 28 -8.821 5.638 2.949
208 HD22 LEU 28 1HD2 LEU 28 -7.091 5.641 3.291
209 HD23 LEU 28 2HD2 LEU 28 -8.179 4.632 4.250
210 H ILE 29 H ILE 29 -3.605 2.316 0.652
211 HA ILE 29 HA ILE 29 -2.301 0.463 2.534
212 HB ILE 29 HB ILE 29 -1.146 2.064 0.186
213 HG12 ILE 29 1HG1 ILE 29 -2.608 0.255 -0.602
214 HG13 ILE 29 2HG1 ILE 29 -0.933 -0.148 -0.951
215 HG21 ILE 29 1HG2 ILE 29 0.261 0.011 1.948
216 HG22 ILE 29 2HG2 ILE 29 0.583 1.747 1.899
217 HG23 ILE 29 3HG2 ILE 29 0.934 0.748 0.489
218 HD11 ILE 29 3HD1 ILE 29 -2.175 -2.085 -0.207
219 HD12 ILE 29 1HD1 ILE 29 -2.602 -1.275 1.300
220 HD13 ILE 29 2HD1 ILE 29 -0.917 -1.689 0.961
221 H THR 30 H THR 30 -1.963 1.373 4.505
222 HA THR 30 HA THR 30 -1.605 4.213 4.882
223 HB THR 30 HB THR 30 -1.352 1.952 6.924
224 HG1 THR 30 HG1 THR 30 -3.445 1.963 6.226
225 HG21 THR 30 3HG2 THR 30 -0.232 4.039 7.682
226 HG22 THR 30 1HG2 THR 30 -1.699 3.748 8.615
227 HG23 THR 30 2HG2 THR 30 -1.694 4.965 7.334
228 H LEU 31 H LEU 31 0.255 5.070 4.236
229 HA LEU 31 HA LEU 31 2.783 3.763 4.153
230 HB2 LEU 31 1HB LEU 31 2.271 6.769 4.108
231 HB3 LEU 31 2HB LEU 31 3.683 5.918 3.480
232 HG LEU 31 HG LEU 31 0.856 5.799 2.320
233 HD11 LEU 31 1HD1 LEU 31 3.363 7.123 1.235
234 HD12 LEU 31 2HD1 LEU 31 1.960 7.948 1.930
235 HD13 LEU 31 3HD1 LEU 31 1.791 7.037 0.431
236 HD21 LEU 31 3HD2 LEU 31 3.395 4.461 1.303
237 HD22 LEU 31 1HD2 LEU 31 1.840 4.496 0.465
238 HD23 LEU 31 2HD2 LEU 31 1.994 3.642 1.996
239 H LEU 32 H LEU 32 4.002 3.305 5.878
240 HA LEU 32 HA LEU 32 3.313 4.200 8.528
241 HB2 LEU 32 1HB LEU 32 5.721 2.577 7.623
242 HB3 LEU 32 2HB LEU 32 5.095 2.686 9.263
243 HG LEU 32 HG LEU 32 3.594 1.432 6.920
244 HD11 LEU 32 1HD1 LEU 32 5.095 0.047 9.161
245 HD12 LEU 32 2HD1 LEU 32 5.586 0.127 7.463
246 HD13 LEU 32 3HD1 LEU 32 4.115 -0.730 7.912
247 HD21 LEU 32 3HD2 LEU 32 2.069 2.296 8.626
248 HD22 LEU 32 1HD2 LEU 32 2.950 1.434 9.892
249 HD23 LEU 32 2HD2 LEU 32 2.074 0.535 8.648
250 H GLN 33 H GLN 33 6.177 4.525 6.450
251 HA GLN 33 HA GLN 33 6.892 7.111 7.604
252 HB2 GLN 33 1HB GLN 33 8.059 5.356 8.990
253 HB3 GLN 33 2HB GLN 33 8.836 4.746 7.535
254 HG2 GLN 33 1HG GLN 33 10.065 6.863 7.282
255 HG3 GLN 33 2HG GLN 33 9.234 7.526 8.688
256 HE21 GLN 33 2HE2 GLN 33 12.137 7.109 8.232
257 HE22 GLN 33 1HE2 GLN 33 12.670 6.131 9.558
258 H VAL 34 H VAL 34 8.622 8.147 6.250
259 HA VAL 34 HA VAL 34 8.554 7.320 3.408
260 HB VAL 34 HB VAL 34 9.433 9.690 2.977
261 HG11 VAL 34 1HG1 VAL 34 7.232 10.801 3.329
262 HG12 VAL 34 2HG1 VAL 34 6.752 9.488 4.407
263 HG13 VAL 34 3HG1 VAL 34 7.039 9.163 2.698
264 HG21 VAL 34 3HG2 VAL 34 9.171 11.410 4.764
265 HG22 VAL 34 1HG2 VAL 34 10.374 10.201 5.227
266 HG23 VAL 34 2HG2 VAL 34 8.754 10.143 5.921
267 HA PRO 35 HA PRO 35 12.781 5.980 4.881
268 HB2 PRO 35 1HB PRO 35 12.587 3.742 2.960
269 HB3 PRO 35 2HB PRO 35 12.683 3.682 4.720
270 HG2 PRO 35 1HG PRO 35 10.420 3.003 3.368
271 HG3 PRO 35 2HG PRO 35 10.375 3.730 4.993
272 HD2 PRO 35 1HD PRO 35 10.008 5.080 2.300
273 HD3 PRO 35 2HD PRO 35 9.026 5.234 3.773
274 H ASP 36 H ASP 36 11.613 6.044 1.549
275 HA ASP 36 HA ASP 36 14.230 6.985 0.542
276 HB2 ASP 36 1HB ASP 36 13.520 4.947 -0.595
277 HB3 ASP 36 2HB ASP 36 11.897 5.587 -0.843
278 H GLY 37 H GLY 37 10.768 7.354 -0.315
279 HA2 GLY 37 1HA GLY 37 9.922 9.767 0.137
280 HA3 GLY 37 2HA GLY 37 11.192 10.211 -1.005
281 H GLY 38 H GLY 38 10.964 7.946 -2.702
282 HA2 GLY 38 1HA GLY 38 8.356 8.363 -4.050
283 HA3 GLY 38 2HA GLY 38 9.802 7.644 -4.764
284 H TRP 39 H TRP 39 10.549 5.783 -2.949
285 HA TRP 39 HA TRP 39 8.427 3.779 -2.870
286 HB2 TRP 39 1HB TRP 39 11.295 3.687 -1.818
287 HB3 TRP 39 2HB TRP 39 10.188 2.323 -1.850
288 HD1 TRP 39 HD1 TRP 39 12.293 4.512 -4.229
289 HE1 TRP 39 HE1 TRP 39 12.660 3.218 -6.409
290 HE3 TRP 39 HE3 TRP 39 9.243 0.497 -3.322
291 HZ2 TRP 39 HZ2 TRP 39 11.773 0.840 -7.610
292 HZ3 TRP 39 HZ3 TRP 39 9.066 -1.239 -5.054
293 HH2 TRP 39 HH2 TRP 39 10.306 -1.078 -7.153
294 H TRP 40 H TRP 40 7.287 3.268 -1.055
295 HA TRP 40 HA TRP 40 8.109 4.328 1.584
296 HB2 TRP 40 1HB TRP 40 5.257 4.118 0.510
297 HB3 TRP 40 2HB TRP 40 5.693 4.604 2.148
298 HD1 TRP 40 HD1 TRP 40 7.230 6.964 2.266
299 HE1 TRP 40 HE1 TRP 40 6.975 9.091 0.848
300 HE3 TRP 40 HE3 TRP 40 4.573 5.021 -1.638
301 HZ2 TRP 40 HZ2 TRP 40 5.811 9.851 -1.596
302 HZ3 TRP 40 HZ3 TRP 40 3.929 6.517 -3.476
303 HH2 TRP 40 HH2 TRP 40 4.534 8.885 -3.460
304 H GLU 41 H GLU 41 6.742 3.141 3.305
305 HA GLU 41 HA GLU 41 6.606 0.230 2.741
306 HB2 GLU 41 1HB GLU 41 7.226 -0.109 5.125
307 HB3 GLU 41 2HB GLU 41 8.484 0.755 4.247
308 HG2 GLU 41 1HG GLU 41 7.715 2.883 5.213
309 HG3 GLU 41 2HG GLU 41 6.439 2.035 6.079
310 H GLY 42 H GLY 42 4.858 -0.864 3.738
311 HA2 GLY 42 1HA GLY 42 2.739 0.620 5.108
312 HA3 GLY 42 2HA GLY 42 2.351 -0.025 3.515
313 H GLU 43 H GLU 43 1.917 -0.665 6.631
314 HA GLU 43 HA GLU 43 2.417 -3.574 6.505
315 HB2 GLU 43 1HB GLU 43 3.276 -2.335 8.501
316 HB3 GLU 43 2HB GLU 43 1.631 -1.844 8.904
317 HG2 GLU 43 1HG GLU 43 1.016 -4.245 9.204
318 HG3 GLU 43 2HG GLU 43 2.673 -4.700 8.820
319 H LYS 44 H LYS 44 0.775 -4.829 6.007
320 HA LYS 44 HA LYS 44 -1.962 -3.967 5.869
321 HB2 LYS 44 1HB LYS 44 -0.800 -5.585 4.266
322 HB3 LYS 44 2HB LYS 44 -0.838 -6.793 5.534
323 HG2 LYS 44 1HG LYS 44 -2.614 -7.081 3.821
324 HG3 LYS 44 2HG LYS 44 -3.266 -6.879 5.454
325 HD2 LYS 44 1HD LYS 44 -3.848 -4.561 4.993
326 HD3 LYS 44 2HD LYS 44 -3.041 -4.618 3.419
327 HE2 LYS 44 1HE LYS 44 -5.401 -6.401 4.112
328 HE3 LYS 44 2HE LYS 44 -5.592 -4.795 3.405
329 HZ1 LYS 44 3HZ LYS 44 -4.089 -7.052 2.170
330 HZ2 LYS 44 1HZ LYS 44 -4.274 -5.507 1.504
331 HZ3 LYS 44 2HZ LYS 44 -5.623 -6.505 1.707
332 H GLU 45 H GLU 45 -3.664 -5.409 6.843
333 HA GLU 45 HA GLU 45 -3.869 -5.023 9.553
334 HB2 GLU 45 1HB GLU 45 -5.345 -7.102 7.886
335 HB3 GLU 45 2HB GLU 45 -5.901 -6.407 9.412
336 HG2 GLU 45 1HG GLU 45 -6.224 -4.251 8.406
337 HG3 GLU 45 2HG GLU 45 -5.403 -4.744 6.922
338 H ASP 46 H ASP 46 -2.683 -7.927 7.887
339 HA ASP 46 HA ASP 46 -2.817 -9.654 10.199
340 HB2 ASP 46 1HB ASP 46 -3.076 -10.373 7.761
341 HB3 ASP 46 2HB ASP 46 -1.337 -10.184 7.587
342 H GLY 47 H GLY 47 -0.550 -7.339 9.074
343 HA2 GLY 47 1HA GLY 47 1.229 -6.666 10.591
344 HA3 GLY 47 2HA GLY 47 1.518 -8.359 10.963
345 H LEU 48 H LEU 48 1.056 -8.527 7.754
346 HA LEU 48 HA LEU 48 3.832 -8.695 7.102
347 HB2 LEU 48 1HB LEU 48 1.347 -8.809 5.350
348 HB3 LEU 48 2HB LEU 48 2.950 -8.830 4.650
349 HG LEU 48 HG LEU 48 2.193 -11.086 4.716
350 HD11 LEU 48 1HD1 LEU 48 4.549 -10.800 5.271
351 HD12 LEU 48 2HD1 LEU 48 3.869 -12.215 6.070
352 HD13 LEU 48 3HD1 LEU 48 4.156 -10.737 6.994
353 HD21 LEU 48 3HD2 LEU 48 1.451 -12.235 6.749
354 HD22 LEU 48 1HD2 LEU 48 0.404 -10.878 6.338
355 HD23 LEU 48 2HD2 LEU 48 1.569 -10.722 7.656
356 H ARG 49 H ARG 49 5.187 -7.175 6.434
357 HA ARG 49 HA ARG 49 4.188 -4.459 5.814
358 HB2 ARG 49 1HB ARG 49 6.969 -5.328 6.749
359 HB3 ARG 49 2HB ARG 49 6.374 -3.669 6.606
360 HG2 ARG 49 1HG ARG 49 4.783 -4.041 8.422
361 HG3 ARG 49 2HG ARG 49 5.227 -5.748 8.505
362 HD2 ARG 49 1HD ARG 49 6.271 -4.551 10.327
363 HD3 ARG 49 2HD ARG 49 7.519 -5.085 9.203
364 HE ARG 49 HE ARG 49 7.733 -2.827 8.416
365 HH11 ARG 49 1HH1 ARG 49 5.636 -3.061 11.232
366 HH12 ARG 49 2HH1 ARG 49 5.969 -1.445 11.765
367 HH21 ARG 49 1HH2 ARG 49 8.120 -0.686 9.103
368 HH22 ARG 49 2HH2 ARG 49 7.372 -0.108 10.554
369 H GLY 50 H GLY 50 4.556 -3.673 3.793
370 HA2 GLY 50 1HA GLY 50 6.435 -5.059 1.965
371 HA3 GLY 50 2HA GLY 50 4.756 -4.797 1.495
372 H TRP 51 H TRP 51 7.163 -3.817 0.216
373 HA TRP 51 HA TRP 51 7.190 -0.940 0.596
374 HB2 TRP 51 1HB TRP 51 8.623 -1.035 -1.584
375 HB3 TRP 51 2HB TRP 51 9.299 -1.744 -0.124
376 HD1 TRP 51 HD1 TRP 51 9.895 -4.310 -0.178
377 HE1 TRP 51 HE1 TRP 51 9.865 -6.118 -1.997
378 HE3 TRP 51 HE3 TRP 51 7.210 -1.833 -3.788
379 HZ2 TRP 51 HZ2 TRP 51 8.843 -6.475 -4.598
380 HZ3 TRP 51 HZ3 TRP 51 6.746 -2.989 -5.914
381 HH2 TRP 51 HH2 TRP 51 7.550 -5.268 -6.307
382 H PHE 52 H PHE 52 6.144 0.557 -0.617
383 HA PHE 52 HA PHE 52 4.587 -0.197 -2.986
384 HB2 PHE 52 1HB PHE 52 3.435 1.195 -0.520
385 HB3 PHE 52 2HB PHE 52 2.645 1.238 -2.091
386 HD1 PHE 52 HD1 PHE 52 1.633 -0.814 -3.053
387 HD2 PHE 52 HD2 PHE 52 3.393 -0.840 0.850
388 HE1 PHE 52 HE1 PHE 52 0.519 -2.950 -2.557
389 HE2 PHE 52 HE2 PHE 52 2.276 -2.971 1.334
390 HZ PHE 52 HZ PHE 52 0.841 -4.030 -0.365
391 HA PRO 53 HA PRO 53 6.584 3.840 -3.969
392 HB2 PRO 53 1HB PRO 53 6.957 3.402 -6.613
393 HB3 PRO 53 2HB PRO 53 8.005 2.648 -5.400
394 HG2 PRO 53 1HG PRO 53 5.650 1.463 -6.871
395 HG3 PRO 53 2HG PRO 53 7.250 0.749 -6.577
396 HD2 PRO 53 1HD PRO 53 5.033 0.176 -5.038
397 HD3 PRO 53 2HD PRO 53 6.697 0.083 -4.419
398 H ALA 54 H ALA 54 5.888 5.600 -5.348
399 HA ALA 54 HA ALA 54 3.098 6.062 -5.477
400 HB1 ALA 54 3HB ALA 54 5.333 7.584 -6.876
401 HB2 ALA 54 1HB ALA 54 4.741 7.887 -5.242
402 HB3 ALA 54 2HB ALA 54 3.685 8.169 -6.627
403 H SER 55 H SER 55 5.395 4.804 -7.767
404 HA SER 55 HA SER 55 3.803 5.051 -10.146
405 HB2 SER 55 1HB SER 55 5.637 3.565 -11.103
406 HB3 SER 55 2HB SER 55 6.215 5.042 -10.332
407 HG SER 55 HG SER 55 7.280 3.867 -8.971
408 H TYR 56 H TYR 56 3.050 3.225 -7.570
409 HA TYR 56 HA TYR 56 2.052 0.928 -9.160
410 HB2 TYR 56 1HB TYR 56 4.002 0.647 -7.315
411 HB3 TYR 56 2HB TYR 56 2.647 0.628 -6.198
412 HD1 TYR 56 HD2 TYR 56 0.815 -1.187 -6.569
413 HD2 TYR 56 HD1 TYR 56 4.609 -1.289 -8.547
414 HE1 TYR 56 HE2 TYR 56 0.503 -3.575 -7.053
415 HE2 TYR 56 HE1 TYR 56 4.288 -3.678 -9.030
416 HH TYR 56 HH TYR 56 2.995 -5.594 -8.136
417 H VAL 57 H VAL 57 1.604 3.019 -6.322
418 HA VAL 57 HA VAL 57 -1.340 2.689 -6.455
419 HB VAL 57 HB VAL 57 -1.343 2.871 -3.897
420 HG11 VAL 57 1HG1 VAL 57 -0.067 0.369 -5.079
421 HG12 VAL 57 2HG1 VAL 57 -1.798 0.710 -4.978
422 HG13 VAL 57 3HG1 VAL 57 -0.863 0.461 -3.501
423 HG21 VAL 57 3HG2 VAL 57 0.723 2.213 -2.668
424 HG22 VAL 57 1HG2 VAL 57 0.954 3.723 -3.558
425 HG23 VAL 57 2HG2 VAL 57 1.625 2.215 -4.188
426 H GLN 58 H GLN 58 -2.530 4.606 -6.048
427 HA GLN 58 HA GLN 58 -1.007 7.088 -6.386
428 HB2 GLN 58 1HB GLN 58 -4.011 6.616 -6.534
429 HB3 GLN 58 2HB GLN 58 -3.202 8.147 -6.890
430 HG2 GLN 58 1HG GLN 58 -1.973 6.979 -8.747
431 HG3 GLN 58 2HG GLN 58 -2.938 5.545 -8.425
432 HE21 GLN 58 2HE2 GLN 58 -5.253 5.679 -8.813
433 HE22 GLN 58 1HE2 GLN 58 -5.870 6.799 -9.970
434 H LEU 59 H LEU 59 -0.801 8.636 -4.905
435 HA LEU 59 HA LEU 59 -1.313 8.261 -2.159
436 HB2 LEU 59 1HB LEU 59 -0.657 10.827 -3.665
437 HB3 LEU 59 2HB LEU 59 -0.608 10.660 -1.912
438 HG LEU 59 HG LEU 59 1.169 9.089 -3.839
439 HD11 LEU 59 1HD1 LEU 59 3.006 10.528 -3.085
440 HD12 LEU 59 2HD1 LEU 59 1.884 11.489 -2.117
441 HD13 LEU 59 3HD1 LEU 59 1.745 11.473 -3.878
442 HD21 LEU 59 3HD2 LEU 59 2.414 8.449 -1.803
443 HD22 LEU 59 1HD2 LEU 59 0.748 7.877 -1.755
444 HD23 LEU 59 2HD2 LEU 59 1.225 9.283 -0.805
445 H LEU 60 H LEU 60 -2.806 9.187 -0.734
446 HA LEU 60 HA LEU 60 -5.340 10.135 -1.892
447 HB2 LEU 60 1HB LEU 60 -4.613 9.113 0.882
448 HB3 LEU 60 2HB LEU 60 -6.213 9.704 0.444
449 HG LEU 60 HG LEU 60 -4.829 7.301 -0.823
450 HD11 LEU 60 1HD1 LEU 60 -5.491 6.843 1.485
451 HD12 LEU 60 2HD1 LEU 60 -6.456 5.921 0.340
452 HD13 LEU 60 3HD1 LEU 60 -7.145 7.345 1.127
453 HD21 LEU 60 3HD2 LEU 60 -6.293 8.356 -2.437
454 HD22 LEU 60 1HD2 LEU 60 -7.612 8.432 -1.264
455 HD23 LEU 60 2HD2 LEU 60 -7.051 6.875 -1.866
Start of MODEL 4
1 H1 MET 1 1H MET 1 -4.137 6.857 12.239
2 H2 MET 1 2H MET 1 -2.990 7.946 12.820
3 H3 MET 1 3H MET 1 -2.747 7.187 11.334
4 HA MET 1 HA MET 1 -4.652 8.294 10.400
5 HB2 MET 1 1HB MET 1 -5.855 10.042 11.611
6 HB3 MET 1 2HB MET 1 -5.918 8.560 12.552
7 HG2 MET 1 1HG MET 1 -4.240 9.415 14.090
8 HG3 MET 1 2HG MET 1 -4.013 10.852 13.089
9 HE1 MET 1 3HE MET 1 -5.735 12.496 16.149
10 HE2 MET 1 1HE MET 1 -4.423 12.606 14.977
11 HE3 MET 1 2HE MET 1 -4.471 11.267 16.127
12 H SER 2 H SER 2 -1.986 9.469 12.386
13 HA SER 2 HA SER 2 -1.754 11.994 10.902
14 HB2 SER 2 1HB SER 2 -1.794 12.052 13.405
15 HB3 SER 2 2HB SER 2 -0.319 11.088 13.447
16 HG SER 2 HG SER 2 -0.261 13.548 13.545
17 H GLY 3 H GLY 3 -0.947 11.023 8.968
18 HA2 GLY 3 1HA GLY 3 1.890 10.913 8.745
19 HA3 GLY 3 2HA GLY 3 1.195 9.296 8.649
20 H ALA 4 H ALA 4 0.872 8.643 6.618
21 HA ALA 4 HA ALA 4 -0.111 10.530 4.568
22 HB1 ALA 4 3HB ALA 4 1.477 9.601 2.913
23 HB2 ALA 4 1HB ALA 4 2.208 8.586 4.161
24 HB3 ALA 4 2HB ALA 4 2.336 10.344 4.260
25 H ARG 5 H ARG 5 -1.359 9.536 2.942
26 HA ARG 5 HA ARG 5 -2.177 6.728 3.371
27 HB2 ARG 5 1HB ARG 5 -3.834 9.179 3.560
28 HB3 ARG 5 2HB ARG 5 -4.507 8.017 2.429
29 HG2 ARG 5 1HG ARG 5 -3.753 7.298 5.283
30 HG3 ARG 5 2HG ARG 5 -5.359 7.871 4.811
31 HD2 ARG 5 1HD ARG 5 -5.593 5.936 3.281
32 HD3 ARG 5 2HD ARG 5 -3.975 5.385 3.728
33 HE ARG 5 HE ARG 5 -4.814 4.524 5.670
34 HH11 ARG 5 1HH1 ARG 5 -7.301 6.630 4.340
35 HH12 ARG 5 2HH1 ARG 5 -8.527 6.068 5.425
36 HH21 ARG 5 1HH2 ARG 5 -6.423 3.807 7.079
37 HH22 ARG 5 2HH2 ARG 5 -8.023 4.466 6.973
38 H CYS 6 H CYS 6 -2.987 5.658 1.604
39 HA CYS 6 HA CYS 6 -2.844 6.812 -1.087
40 HB2 CYS 6 1HB CYS 6 -1.404 4.240 -0.251
41 HB3 CYS 6 2HB CYS 6 -1.592 4.809 -1.915
42 HG CYS 6 HG CYS 6 -0.295 7.332 -0.575
43 H ARG 7 H ARG 7 -3.763 5.130 -2.658
44 HA ARG 7 HA ARG 7 -5.586 3.171 -1.473
45 HB2 ARG 7 1HB ARG 7 -6.885 5.323 -1.859
46 HB3 ARG 7 2HB ARG 7 -6.510 5.188 -3.578
47 HG2 ARG 7 1HG ARG 7 -7.733 3.041 -3.693
48 HG3 ARG 7 2HG ARG 7 -8.071 3.133 -1.962
49 HD2 ARG 7 1HD ARG 7 -9.319 5.287 -2.404
50 HD3 ARG 7 2HD ARG 7 -9.101 4.982 -4.137
51 HE ARG 7 HE ARG 7 -10.488 3.042 -2.370
52 HH11 ARG 7 1HH1 ARG 7 -10.488 4.972 -5.296
53 HH12 ARG 7 2HH1 ARG 7 -12.043 4.408 -5.814
54 HH21 ARG 7 1HH2 ARG 7 -12.524 2.287 -3.083
55 HH22 ARG 7 2HH2 ARG 7 -13.175 2.892 -4.575
56 H THR 8 H THR 8 -5.573 1.341 -2.626
57 HA THR 8 HA THR 8 -3.594 0.908 -4.613
58 HB THR 8 HB THR 8 -4.609 -1.441 -4.631
59 HG1 THR 8 HG1 THR 8 -6.119 -1.431 -2.561
60 HG21 THR 8 3HG2 THR 8 -3.949 -1.970 -2.303
61 HG22 THR 8 1HG2 THR 8 -3.981 -0.251 -1.898
62 HG23 THR 8 2HG2 THR 8 -2.793 -0.866 -3.051
63 H LEU 9 H LEU 9 -3.723 1.074 -6.765
64 HA LEU 9 HA LEU 9 -6.050 1.962 -8.153
65 HB2 LEU 9 1HB LEU 9 -3.450 0.806 -9.251
66 HB3 LEU 9 2HB LEU 9 -4.663 1.644 -10.210
67 HG LEU 9 HG LEU 9 -2.962 2.887 -8.003
68 HD11 LEU 9 1HD1 LEU 9 -1.857 4.136 -9.799
69 HD12 LEU 9 2HD1 LEU 9 -2.812 3.281 -11.013
70 HD13 LEU 9 3HD1 LEU 9 -1.651 2.400 -10.015
71 HD21 LEU 9 3HD2 LEU 9 -5.033 4.186 -9.806
72 HD22 LEU 9 1HD2 LEU 9 -3.938 5.038 -8.712
73 HD23 LEU 9 2HD2 LEU 9 -5.150 3.944 -8.060
74 H TYR 10 H TYR 10 -4.166 -1.051 -8.381
75 HA TYR 10 HA TYR 10 -6.574 -2.641 -8.937
76 HB2 TYR 10 1HB TYR 10 -4.131 -2.432 -10.773
77 HB3 TYR 10 2HB TYR 10 -5.221 -3.814 -10.824
78 HD1 TYR 10 HD2 TYR 10 -7.760 -3.309 -11.180
79 HD2 TYR 10 HD1 TYR 10 -4.656 -0.519 -12.115
80 HE1 TYR 10 HE2 TYR 10 -9.301 -2.092 -12.652
81 HE2 TYR 10 HE1 TYR 10 -6.207 0.705 -13.587
82 HH TYR 10 HH TYR 10 -9.551 0.218 -13.540
83 HA PRO 11 HA PRO 11 -4.568 -5.328 -6.096
84 HB2 PRO 11 1HB PRO 11 -5.893 -7.637 -6.388
85 HB3 PRO 11 2HB PRO 11 -6.758 -6.148 -5.961
86 HG2 PRO 11 1HG PRO 11 -6.495 -7.491 -8.656
87 HG3 PRO 11 2HG PRO 11 -7.945 -6.813 -7.886
88 HD2 PRO 11 1HD PRO 11 -6.397 -5.470 -9.766
89 HD3 PRO 11 2HD PRO 11 -7.448 -4.667 -8.580
90 H PHE 12 H PHE 12 -3.076 -5.184 -8.732
91 HA PHE 12 HA PHE 12 -1.991 -7.893 -9.065
92 HB2 PHE 12 1HB PHE 12 -1.345 -5.307 -10.570
93 HB3 PHE 12 2HB PHE 12 -0.722 -6.906 -10.970
94 HD1 PHE 12 HD1 PHE 12 -2.598 -8.773 -11.356
95 HD2 PHE 12 HD2 PHE 12 -3.247 -4.565 -11.734
96 HE1 PHE 12 HE1 PHE 12 -4.543 -9.197 -12.804
97 HE2 PHE 12 HE2 PHE 12 -5.186 -4.999 -13.175
98 HZ PHE 12 HZ PHE 12 -5.835 -7.310 -13.716
99 H SER 13 H SER 13 -0.730 -8.353 -7.382
100 HA SER 13 HA SER 13 1.697 -6.813 -6.868
101 HB2 SER 13 1HB SER 13 -0.245 -7.572 -4.636
102 HB3 SER 13 2HB SER 13 1.316 -6.778 -4.426
103 HG SER 13 HG SER 13 0.095 -5.207 -6.036
104 H GLY 14 H GLY 14 3.384 -8.184 -6.366
105 HA2 GLY 14 1HA GLY 14 4.529 -10.176 -6.046
106 HA3 GLY 14 2HA GLY 14 3.007 -10.990 -5.696
107 H GLU 15 H GLU 15 4.338 -9.194 -8.455
108 HA GLU 15 HA GLU 15 3.016 -10.566 -10.491
109 HB2 GLU 15 1HB GLU 15 4.009 -8.322 -10.802
110 HB3 GLU 15 2HB GLU 15 5.625 -8.992 -10.602
111 HG2 GLU 15 1HG GLU 15 5.188 -10.388 -12.696
112 HG3 GLU 15 2HG GLU 15 3.716 -9.447 -12.924
113 H ARG 16 H ARG 16 3.188 -12.742 -10.634
114 HA ARG 16 HA ARG 16 3.944 -14.799 -11.203
115 HB2 ARG 16 1HB ARG 16 6.305 -13.230 -12.321
116 HB3 ARG 16 2HB ARG 16 6.042 -14.950 -12.615
117 HG2 ARG 16 1HG ARG 16 3.912 -14.429 -13.753
118 HG3 ARG 16 2HG ARG 16 4.167 -12.708 -13.452
119 HD2 ARG 16 1HD ARG 16 4.772 -13.362 -15.765
120 HD3 ARG 16 2HD ARG 16 6.154 -12.717 -14.875
121 HE ARG 16 HE ARG 16 6.852 -15.072 -14.513
122 HH11 ARG 16 1HH1 ARG 16 4.750 -14.414 -17.246
123 HH12 ARG 16 2HH1 ARG 16 5.332 -15.766 -18.161
124 HH21 ARG 16 1HH2 ARG 16 7.594 -16.830 -15.703
125 HH22 ARG 16 2HH2 ARG 16 6.946 -17.137 -17.286
126 H HIS 17 H HIS 17 4.735 -13.540 -8.592
127 HA HIS 17 HA HIS 17 6.677 -15.462 -7.633
128 HB2 HIS 17 1HB HIS 17 8.207 -13.790 -8.548
129 HB3 HIS 17 2HB HIS 17 7.305 -12.474 -7.805
130 HD2 HIS 17 HD2 HIS 17 8.089 -11.798 -5.265
131 HE1 HIS 17 HE1 HIS 17 10.948 -14.882 -4.827
132 HE2 HIS 17 HE2 HIS 17 9.860 -12.884 -3.718
133 H GLY 18 H GLY 18 5.737 -16.102 -5.774
134 HA2 GLY 18 1HA GLY 18 3.873 -14.507 -4.277
135 HA3 GLY 18 2HA GLY 18 4.472 -16.106 -3.853
136 H GLN 19 H GLN 19 4.456 -15.125 -1.658
137 HA GLN 19 HA GLN 19 5.614 -14.682 0.225
138 HB2 GLN 19 1HB GLN 19 8.072 -14.404 -1.551
139 HB3 GLN 19 2HB GLN 19 8.093 -14.536 0.211
140 HG2 GLN 19 1HG GLN 19 7.264 -16.812 0.105
141 HG3 GLN 19 2HG GLN 19 7.006 -16.693 -1.637
142 HE21 GLN 19 2HE2 GLN 19 8.801 -16.656 -3.033
143 HE22 GLN 19 1HE2 GLN 19 10.348 -17.238 -2.534
144 H GLY 20 H GLY 20 5.097 -12.410 -2.124
145 HA2 GLY 20 1HA GLY 20 6.192 -10.116 -0.640
146 HA3 GLY 20 2HA GLY 20 5.449 -10.073 -2.235
147 H LEU 21 H LEU 21 4.518 -8.160 -0.678
148 HA LEU 21 HA LEU 21 2.147 -9.098 0.755
149 HB2 LEU 21 1HB LEU 21 3.524 -7.231 1.735
150 HB3 LEU 21 2HB LEU 21 3.120 -6.236 0.345
151 HG LEU 21 HG LEU 21 0.697 -6.361 0.966
152 HD11 LEU 21 1HD1 LEU 21 0.689 -8.507 2.140
153 HD12 LEU 21 2HD1 LEU 21 0.020 -7.238 3.154
154 HD13 LEU 21 3HD1 LEU 21 1.657 -7.823 3.452
155 HD21 LEU 21 3HD2 LEU 21 2.475 -5.295 3.192
156 HD22 LEU 21 1HD2 LEU 21 0.790 -4.848 2.909
157 HD23 LEU 21 2HD2 LEU 21 2.022 -4.433 1.721
158 H ARG 22 H ARG 22 0.457 -9.583 -0.464
159 HA ARG 22 HA ARG 22 -0.145 -8.295 -2.989
160 HB2 ARG 22 1HB ARG 22 -1.656 -10.399 -1.387
161 HB3 ARG 22 2HB ARG 22 -2.161 -9.812 -2.972
162 HG2 ARG 22 1HG ARG 22 -0.070 -10.691 -3.966
163 HG3 ARG 22 2HG ARG 22 0.444 -11.267 -2.376
164 HD2 ARG 22 1HD ARG 22 -1.554 -12.758 -2.305
165 HD3 ARG 22 2HD ARG 22 -2.002 -12.213 -3.923
166 HE ARG 22 HE ARG 22 0.169 -13.182 -4.692
167 HH11 ARG 22 1HH1 ARG 22 -1.204 -14.411 -1.699
168 HH12 ARG 22 2HH1 ARG 22 -0.517 -15.990 -1.894
169 HH21 ARG 22 1HH2 ARG 22 1.058 -15.264 -4.923
170 HH22 ARG 22 2HH2 ARG 22 0.755 -16.472 -3.716
171 H PHE 23 H PHE 23 -1.747 -6.811 -3.346
172 HA PHE 23 HA PHE 23 -3.093 -5.624 -0.982
173 HB2 PHE 23 1HB PHE 23 -2.197 -4.320 -3.595
174 HB3 PHE 23 2HB PHE 23 -3.175 -3.517 -2.373
175 HD1 PHE 23 HD2 PHE 23 -2.198 -3.025 -0.101
176 HD2 PHE 23 HD1 PHE 23 0.197 -4.492 -3.325
177 HE1 PHE 23 HE2 PHE 23 -0.162 -2.270 1.058
178 HE2 PHE 23 HE1 PHE 23 2.219 -3.738 -2.160
179 HZ PHE 23 HZ PHE 23 2.049 -2.625 0.030
180 H ALA 24 H ALA 24 -5.287 -5.539 -1.007
181 HA ALA 24 HA ALA 24 -6.819 -6.513 -3.293
182 HB1 ALA 24 3HB ALA 24 -7.729 -5.471 -0.576
183 HB2 ALA 24 1HB ALA 24 -7.491 -7.165 -1.015
184 HB3 ALA 24 2HB ALA 24 -8.769 -6.227 -1.786
185 H ALA 25 H ALA 25 -8.092 -5.202 -4.630
186 HA ALA 25 HA ALA 25 -7.229 -2.552 -5.123
187 HB1 ALA 25 3HB ALA 25 -8.956 -2.522 -6.872
188 HB2 ALA 25 1HB ALA 25 -9.684 -3.985 -6.198
189 HB3 ALA 25 2HB ALA 25 -8.064 -4.043 -6.894
190 H GLY 26 H GLY 26 -8.019 -0.598 -4.509
191 HA2 GLY 26 1HA GLY 26 -9.635 0.997 -3.937
192 HA3 GLY 26 2HA GLY 26 -10.747 -0.276 -3.451
193 H GLU 27 H GLU 27 -8.138 -1.316 -1.935
194 HA GLU 27 HA GLU 27 -8.914 -0.414 0.627
195 HB2 GLU 27 1HB GLU 27 -6.424 -1.916 -0.290
196 HB3 GLU 27 2HB GLU 27 -6.745 -1.541 1.403
197 HG2 GLU 27 1HG GLU 27 -8.447 -3.279 -0.415
198 HG3 GLU 27 2HG GLU 27 -7.402 -3.826 0.898
199 H LEU 28 H LEU 28 -8.363 1.257 1.799
200 HA LEU 28 HA LEU 28 -6.538 3.311 0.880
201 HB2 LEU 28 1HB LEU 28 -7.937 3.160 3.584
202 HB3 LEU 28 2HB LEU 28 -7.345 4.597 2.759
203 HG LEU 28 HG LEU 28 -9.770 2.923 1.967
204 HD11 LEU 28 1HD1 LEU 28 -9.622 5.733 3.111
205 HD12 LEU 28 2HD1 LEU 28 -10.160 4.280 3.960
206 HD13 LEU 28 3HD1 LEU 28 -11.089 4.890 2.594
207 HD21 LEU 28 3HD2 LEU 28 -10.229 4.618 0.245
208 HD22 LEU 28 1HD2 LEU 28 -8.698 3.800 -0.052
209 HD23 LEU 28 2HD2 LEU 28 -8.708 5.431 0.620
210 H ILE 29 H ILE 29 -4.432 2.677 1.038
211 HA ILE 29 HA ILE 29 -3.453 1.150 3.354
212 HB ILE 29 HB ILE 29 -2.020 1.826 0.732
213 HG12 ILE 29 1HG1 ILE 29 -3.953 0.343 0.295
214 HG13 ILE 29 2HG1 ILE 29 -2.451 -0.547 0.082
215 HG21 ILE 29 1HG2 ILE 29 -0.419 1.418 2.547
216 HG22 ILE 29 2HG2 ILE 29 -0.385 0.070 1.410
217 HG23 ILE 29 3HG2 ILE 29 -1.220 -0.102 2.957
218 HD11 ILE 29 3HD1 ILE 29 -4.132 -1.895 1.186
219 HD12 ILE 29 1HD1 ILE 29 -4.284 -0.706 2.478
220 HD13 ILE 29 2HD1 ILE 29 -2.775 -1.602 2.273
221 H THR 30 H THR 30 -2.733 2.331 5.010
222 HA THR 30 HA THR 30 -1.776 5.030 4.807
223 HB THR 30 HB THR 30 -1.543 3.086 7.159
224 HG1 THR 30 HG1 THR 30 -3.610 3.423 7.352
225 HG21 THR 30 3HG2 THR 30 -1.328 5.145 8.542
226 HG22 THR 30 1HG2 THR 30 -1.319 6.130 7.084
227 HG23 THR 30 2HG2 THR 30 0.004 5.000 7.395
228 H LEU 31 H LEU 31 0.211 5.608 4.210
229 HA LEU 31 HA LEU 31 2.460 3.823 4.100
230 HB2 LEU 31 1HB LEU 31 2.394 6.851 3.813
231 HB3 LEU 31 2HB LEU 31 3.749 5.804 3.403
232 HG LEU 31 HG LEU 31 1.045 5.870 1.988
233 HD11 LEU 31 1HD1 LEU 31 2.415 7.834 1.476
234 HD12 LEU 31 2HD1 LEU 31 2.290 6.777 0.073
235 HD13 LEU 31 3HD1 LEU 31 3.777 6.797 1.027
236 HD21 LEU 31 3HD2 LEU 31 1.924 3.575 1.983
237 HD22 LEU 31 1HD2 LEU 31 3.480 4.142 1.367
238 HD23 LEU 31 2HD2 LEU 31 2.029 4.271 0.370
239 H LEU 32 H LEU 32 3.858 3.411 5.715
240 HA LEU 32 HA LEU 32 3.422 4.439 8.371
241 HB2 LEU 32 1HB LEU 32 5.604 2.644 7.235
242 HB3 LEU 32 2HB LEU 32 5.420 3.002 8.950
243 HG LEU 32 HG LEU 32 3.375 1.530 7.234
244 HD11 LEU 32 1HD1 LEU 32 5.314 0.456 9.314
245 HD12 LEU 32 2HD1 LEU 32 5.380 0.178 7.571
246 HD13 LEU 32 3HD1 LEU 32 4.043 -0.467 8.511
247 HD21 LEU 32 3HD2 LEU 32 2.283 2.793 9.037
248 HD22 LEU 32 1HD2 LEU 32 3.373 2.083 10.231
249 HD23 LEU 32 2HD2 LEU 32 2.215 1.067 9.370
250 H GLN 33 H GLN 33 6.046 4.623 6.019
251 HA GLN 33 HA GLN 33 7.059 7.128 7.077
252 HB2 GLN 33 1HB GLN 33 8.058 5.266 8.524
253 HB3 GLN 33 2HB GLN 33 8.830 4.632 7.073
254 HG2 GLN 33 1HG GLN 33 10.091 6.777 6.849
255 HG3 GLN 33 2HG GLN 33 9.343 7.349 8.341
256 HE21 GLN 33 2HE2 GLN 33 12.164 6.984 7.808
257 HE22 GLN 33 1HE2 GLN 33 12.755 5.840 8.958
258 H VAL 34 H VAL 34 8.779 7.961 5.691
259 HA VAL 34 HA VAL 34 8.620 7.015 2.906
260 HB VAL 34 HB VAL 34 9.536 9.298 2.321
261 HG11 VAL 34 1HG1 VAL 34 6.940 9.305 3.929
262 HG12 VAL 34 2HG1 VAL 34 7.107 8.835 2.235
263 HG13 VAL 34 3HG1 VAL 34 7.397 10.507 2.716
264 HG21 VAL 34 3HG2 VAL 34 9.111 9.932 5.283
265 HG22 VAL 34 1HG2 VAL 34 9.458 11.126 4.026
266 HG23 VAL 34 2HG2 VAL 34 10.661 9.905 4.443
267 HA PRO 35 HA PRO 35 12.729 5.420 4.356
268 HB2 PRO 35 1HB PRO 35 12.784 3.104 3.015
269 HB3 PRO 35 2HB PRO 35 11.644 3.332 4.354
270 HG2 PRO 35 1HG PRO 35 11.140 3.609 1.379
271 HG3 PRO 35 2HG PRO 35 10.197 2.702 2.584
272 HD2 PRO 35 1HD PRO 35 9.510 5.233 1.777
273 HD3 PRO 35 2HD PRO 35 9.163 4.614 3.406
274 H ASP 36 H ASP 36 11.795 6.627 1.374
275 HA ASP 36 HA ASP 36 14.450 7.043 0.393
276 HB2 ASP 36 1HB ASP 36 14.208 4.753 -0.426
277 HB3 ASP 36 2HB ASP 36 12.612 5.100 -1.085
278 H GLY 37 H GLY 37 11.213 6.704 -1.064
279 HA2 GLY 37 1HA GLY 37 10.104 9.077 -1.307
280 HA3 GLY 37 2HA GLY 37 11.473 9.323 -2.391
281 H GLY 38 H GLY 38 11.776 7.084 -3.758
282 HA2 GLY 38 1HA GLY 38 9.513 6.852 -5.512
283 HA3 GLY 38 2HA GLY 38 10.981 5.883 -5.564
284 H TRP 39 H TRP 39 11.061 4.678 -3.191
285 HA TRP 39 HA TRP 39 8.760 2.853 -3.122
286 HB2 TRP 39 1HB TRP 39 11.425 2.726 -1.626
287 HB3 TRP 39 2HB TRP 39 10.194 1.466 -1.643
288 HD1 TRP 39 HD1 TRP 39 12.804 3.113 -3.988
289 HE1 TRP 39 HE1 TRP 39 13.372 1.441 -5.852
290 HE3 TRP 39 HE3 TRP 39 9.360 -0.532 -2.924
291 HZ2 TRP 39 HZ2 TRP 39 12.502 -1.080 -6.760
292 HZ3 TRP 39 HZ3 TRP 39 9.301 -2.548 -4.338
293 HH2 TRP 39 HH2 TRP 39 10.842 -2.819 -6.220
294 H TRP 40 H TRP 40 7.306 2.851 -1.484
295 HA TRP 40 HA TRP 40 7.882 4.245 1.055
296 HB2 TRP 40 1HB TRP 40 5.380 4.570 -0.657
297 HB3 TRP 40 2HB TRP 40 5.395 4.954 1.059
298 HD1 TRP 40 HD1 TRP 40 8.224 6.458 1.180
299 HE1 TRP 40 HE1 TRP 40 8.416 8.817 0.190
300 HE3 TRP 40 HE3 TRP 40 4.249 6.345 -2.026
301 HZ2 TRP 40 HZ2 TRP 40 7.094 10.425 -1.669
302 HZ3 TRP 40 HZ3 TRP 40 3.788 8.345 -3.377
303 HH2 TRP 40 HH2 TRP 40 5.176 10.347 -3.204
304 H GLU 41 H GLU 41 6.706 3.450 2.889
305 HA GLU 41 HA GLU 41 6.406 0.528 2.771
306 HB2 GLU 41 1HB GLU 41 6.620 2.431 5.154
307 HB3 GLU 41 2HB GLU 41 6.575 0.664 5.259
308 HG2 GLU 41 1HG GLU 41 8.691 0.517 4.036
309 HG3 GLU 41 2HG GLU 41 8.726 2.272 3.841
310 H GLY 42 H GLY 42 4.597 -0.542 3.491
311 HA2 GLY 42 1HA GLY 42 2.247 0.864 4.554
312 HA3 GLY 42 2HA GLY 42 2.067 -0.034 3.047
313 H GLU 43 H GLU 43 0.498 -0.834 5.111
314 HA GLU 43 HA GLU 43 1.728 -3.347 6.117
315 HB2 GLU 43 1HB GLU 43 -0.225 -1.513 7.574
316 HB3 GLU 43 2HB GLU 43 0.216 -3.129 8.130
317 HG2 GLU 43 1HG GLU 43 2.613 -2.316 8.207
318 HG3 GLU 43 2HG GLU 43 1.994 -0.690 7.925
319 H LYS 44 H LYS 44 0.257 -5.012 6.634
320 HA LYS 44 HA LYS 44 -2.529 -4.830 5.665
321 HB2 LYS 44 1HB LYS 44 -0.757 -6.489 4.470
322 HB3 LYS 44 2HB LYS 44 -1.106 -7.512 5.852
323 HG2 LYS 44 1HG LYS 44 -3.134 -6.494 3.818
324 HG3 LYS 44 2HG LYS 44 -2.412 -8.105 3.835
325 HD2 LYS 44 1HD LYS 44 -3.474 -8.465 6.100
326 HD3 LYS 44 2HD LYS 44 -4.297 -6.916 5.915
327 HE2 LYS 44 1HE LYS 44 -5.805 -8.726 5.317
328 HE3 LYS 44 2HE LYS 44 -5.419 -7.793 3.871
329 HZ1 LYS 44 3HZ LYS 44 -3.814 -9.492 3.274
330 HZ2 LYS 44 1HZ LYS 44 -5.361 -10.158 3.450
331 HZ3 LYS 44 2HZ LYS 44 -4.199 -10.379 4.656
332 H GLU 45 H GLU 45 -4.029 -5.723 7.139
333 HA GLU 45 HA GLU 45 -3.439 -5.494 9.900
334 HB2 GLU 45 1HB GLU 45 -5.944 -6.790 8.737
335 HB3 GLU 45 2HB GLU 45 -5.769 -6.017 10.301
336 HG2 GLU 45 1HG GLU 45 -6.879 -4.336 9.199
337 HG3 GLU 45 2HG GLU 45 -5.226 -3.863 8.827
338 H ASP 46 H ASP 46 -2.933 -8.077 7.796
339 HA ASP 46 HA ASP 46 -3.312 -10.324 9.551
340 HB2 ASP 46 1HB ASP 46 -3.501 -10.419 7.051
341 HB3 ASP 46 2HB ASP 46 -1.777 -10.084 6.920
342 H GLY 47 H GLY 47 -0.939 -7.900 9.378
343 HA2 GLY 47 1HA GLY 47 0.754 -7.693 11.058
344 HA3 GLY 47 2HA GLY 47 0.929 -9.439 11.094
345 H LEU 48 H LEU 48 0.788 -9.067 7.950
346 HA LEU 48 HA LEU 48 3.682 -8.895 7.571
347 HB2 LEU 48 1HB LEU 48 1.410 -9.748 5.727
348 HB3 LEU 48 2HB LEU 48 3.053 -9.547 5.152
349 HG LEU 48 HG LEU 48 2.629 -11.900 5.518
350 HD11 LEU 48 1HD1 LEU 48 4.475 -10.849 7.678
351 HD12 LEU 48 2HD1 LEU 48 4.891 -11.127 5.986
352 HD13 LEU 48 3HD1 LEU 48 4.467 -12.489 7.019
353 HD21 LEU 48 3HD2 LEU 48 0.808 -11.769 7.145
354 HD22 LEU 48 1HD2 LEU 48 1.936 -11.246 8.400
355 HD23 LEU 48 2HD2 LEU 48 2.069 -12.864 7.704
356 H ARG 49 H ARG 49 4.704 -7.255 6.598
357 HA ARG 49 HA ARG 49 3.164 -4.927 5.583
358 HB2 ARG 49 1HB ARG 49 6.009 -4.947 6.707
359 HB3 ARG 49 2HB ARG 49 5.065 -3.528 6.245
360 HG2 ARG 49 1HG ARG 49 3.460 -4.048 8.100
361 HG3 ARG 49 2HG ARG 49 4.496 -5.400 8.576
362 HD2 ARG 49 1HD ARG 49 5.231 -2.447 8.586
363 HD3 ARG 49 2HD ARG 49 4.937 -3.466 9.995
364 HE ARG 49 HE ARG 49 6.947 -4.732 9.395
365 HH11 ARG 49 1HH1 ARG 49 6.659 -1.541 7.963
366 HH12 ARG 49 2HH1 ARG 49 8.369 -1.335 7.778
367 HH21 ARG 49 1HH2 ARG 49 9.182 -4.463 9.128
368 HH22 ARG 49 2HH2 ARG 49 9.802 -2.997 8.441
369 H GLY 50 H GLY 50 4.549 -3.619 3.996
370 HA2 GLY 50 1HA GLY 50 6.641 -4.915 2.512
371 HA3 GLY 50 2HA GLY 50 5.110 -4.885 1.628
372 H TRP 51 H TRP 51 7.569 -3.544 0.930
373 HA TRP 51 HA TRP 51 6.670 -0.717 0.930
374 HB2 TRP 51 1HB TRP 51 9.142 -0.122 0.722
375 HB3 TRP 51 2HB TRP 51 8.661 -0.759 2.285
376 HD1 TRP 51 HD1 TRP 51 9.261 -3.554 2.601
377 HE1 TRP 51 HE1 TRP 51 11.408 -4.777 1.902
378 HE3 TRP 51 HE3 TRP 51 11.029 -0.218 -0.846
379 HZ2 TRP 51 HZ2 TRP 51 13.561 -4.403 0.140
380 HZ3 TRP 51 HZ3 TRP 51 13.143 -0.728 -2.002
381 HH2 TRP 51 HH2 TRP 51 14.386 -2.782 -1.518
382 H PHE 52 H PHE 52 6.361 0.116 -1.032
383 HA PHE 52 HA PHE 52 7.188 -1.276 -3.479
384 HB2 PHE 52 1HB PHE 52 4.268 -0.970 -2.590
385 HB3 PHE 52 2HB PHE 52 4.727 -1.290 -4.257
386 HD1 PHE 52 HD2 PHE 52 5.626 -3.490 -4.926
387 HD2 PHE 52 HD1 PHE 52 4.453 -2.744 -0.879
388 HE1 PHE 52 HE2 PHE 52 5.662 -5.911 -4.462
389 HE2 PHE 52 HE1 PHE 52 4.501 -5.160 -0.424
390 HZ PHE 52 HZ PHE 52 5.100 -6.748 -2.212
391 HA PRO 53 HA PRO 53 7.213 2.898 -5.125
392 HB2 PRO 53 1HB PRO 53 6.313 1.894 -7.790
393 HB3 PRO 53 2HB PRO 53 7.841 2.659 -7.338
394 HG2 PRO 53 1HG PRO 53 7.720 0.034 -7.915
395 HG3 PRO 53 2HG PRO 53 8.802 0.643 -6.639
396 HD2 PRO 53 1HD PRO 53 6.066 -0.631 -6.357
397 HD3 PRO 53 2HD PRO 53 7.561 -0.975 -5.455
398 H ALA 54 H ALA 54 5.895 4.621 -5.776
399 HA ALA 54 HA ALA 54 3.164 4.567 -4.985
400 HB1 ALA 54 3HB ALA 54 4.614 6.545 -4.689
401 HB2 ALA 54 1HB ALA 54 3.153 6.950 -5.595
402 HB3 ALA 54 2HB ALA 54 4.693 6.755 -6.438
403 H SER 55 H SER 55 4.646 3.854 -7.970
404 HA SER 55 HA SER 55 2.876 4.682 -9.946
405 HB2 SER 55 1HB SER 55 5.111 3.691 -10.366
406 HB3 SER 55 2HB SER 55 4.520 2.114 -9.845
407 HG SER 55 HG SER 55 3.397 3.583 -11.997
408 H TYR 56 H TYR 56 2.370 2.196 -7.541
409 HA TYR 56 HA TYR 56 0.165 0.941 -9.074
410 HB2 TYR 56 1HB TYR 56 1.669 -0.125 -6.641
411 HB3 TYR 56 2HB TYR 56 0.477 -1.007 -7.595
412 HD1 TYR 56 HD2 TYR 56 1.013 -1.417 -10.112
413 HD2 TYR 56 HD1 TYR 56 3.984 -0.200 -7.277
414 HE1 TYR 56 HE2 TYR 56 2.781 -2.138 -11.654
415 HE2 TYR 56 HE1 TYR 56 5.747 -0.914 -8.841
416 HH TYR 56 HH TYR 56 6.006 -2.479 -10.775
417 H VAL 57 H VAL 57 0.612 3.214 -6.630
418 HA VAL 57 HA VAL 57 -2.124 2.825 -5.574
419 HB VAL 57 HB VAL 57 -1.301 3.536 -3.262
420 HG11 VAL 57 1HG1 VAL 57 -1.900 1.181 -3.698
421 HG12 VAL 57 2HG1 VAL 57 -0.555 1.280 -2.563
422 HG13 VAL 57 3HG1 VAL 57 -0.255 0.847 -4.248
423 HG21 VAL 57 3HG2 VAL 57 1.100 3.189 -2.670
424 HG22 VAL 57 1HG2 VAL 57 0.910 4.471 -3.872
425 HG23 VAL 57 2HG2 VAL 57 1.471 2.873 -4.366
426 H GLN 58 H GLN 58 -3.286 4.662 -5.816
427 HA GLN 58 HA GLN 58 -2.031 7.179 -6.502
428 HB2 GLN 58 1HB GLN 58 -4.166 6.445 -7.583
429 HB3 GLN 58 2HB GLN 58 -4.985 6.567 -6.030
430 HG2 GLN 58 1HG GLN 58 -4.560 8.985 -5.975
431 HG3 GLN 58 2HG GLN 58 -3.663 8.883 -7.488
432 HE21 GLN 58 2HE2 GLN 58 -5.021 10.310 -8.577
433 HE22 GLN 58 1HE2 GLN 58 -6.645 9.917 -9.016
434 H LEU 59 H LEU 59 -1.630 8.819 -5.149
435 HA LEU 59 HA LEU 59 -1.639 8.336 -2.329
436 HB2 LEU 59 1HB LEU 59 -0.871 10.897 -3.779
437 HB3 LEU 59 2HB LEU 59 -0.358 10.386 -2.173
438 HG LEU 59 HG LEU 59 0.461 9.097 -4.819
439 HD11 LEU 59 1HD1 LEU 59 1.543 11.257 -4.459
440 HD12 LEU 59 2HD1 LEU 59 2.710 9.946 -4.313
441 HD13 LEU 59 3HD1 LEU 59 2.098 10.746 -2.862
442 HD21 LEU 59 3HD2 LEU 59 1.980 7.671 -3.477
443 HD22 LEU 59 1HD2 LEU 59 0.286 7.373 -3.092
444 HD23 LEU 59 2HD2 LEU 59 1.285 8.324 -1.992
445 H LEU 60 H LEU 60 -2.994 9.125 -0.806
446 HA LEU 60 HA LEU 60 -5.209 10.918 -1.558
447 HB2 LEU 60 1HB LEU 60 -4.838 9.241 0.958
448 HB3 LEU 60 2HB LEU 60 -6.280 10.145 0.521
449 HG LEU 60 HG LEU 60 -5.198 7.682 -0.912
450 HD11 LEU 60 1HD1 LEU 60 -6.201 7.143 1.252
451 HD12 LEU 60 2HD1 LEU 60 -7.193 6.536 -0.070
452 HD13 LEU 60 3HD1 LEU 60 -7.686 7.991 0.805
453 HD21 LEU 60 3HD2 LEU 60 -6.254 9.197 -2.530
454 HD22 LEU 60 1HD2 LEU 60 -7.714 9.275 -1.539
455 HD23 LEU 60 2HD2 LEU 60 -7.235 7.753 -2.299
Start of MODEL 5
1 H1 MET 1 1H MET 1 -2.789 5.006 14.951
2 H2 MET 1 2H MET 1 -3.385 5.243 13.387
3 H3 MET 1 3H MET 1 -3.620 6.424 14.568
4 HA MET 1 HA MET 1 -1.305 6.890 14.684
5 HB2 MET 1 1HB MET 1 -0.433 4.638 14.193
6 HB3 MET 1 2HB MET 1 -1.069 4.708 12.558
7 HG2 MET 1 1HG MET 1 0.510 6.521 12.024
8 HG3 MET 1 2HG MET 1 1.154 6.442 13.668
9 HE1 MET 1 3HE MET 1 3.997 4.869 11.363
10 HE2 MET 1 1HE MET 1 3.629 6.168 12.494
11 HE3 MET 1 2HE MET 1 2.887 6.155 10.891
12 H SER 2 H SER 2 -1.158 8.856 13.754
13 HA SER 2 HA SER 2 -2.454 9.632 11.315
14 HB2 SER 2 1HB SER 2 -0.255 11.076 12.867
15 HB3 SER 2 2HB SER 2 -1.332 11.790 11.664
16 HG SER 2 HG SER 2 -1.789 11.897 14.107
17 H GLY 3 H GLY 3 -1.739 8.656 9.487
18 HA2 GLY 3 1HA GLY 3 1.075 8.969 8.666
19 HA3 GLY 3 2HA GLY 3 0.377 7.349 8.656
20 H ALA 4 H ALA 4 1.366 8.538 6.355
21 HA ALA 4 HA ALA 4 -0.633 9.738 4.718
22 HB1 ALA 4 3HB ALA 4 1.914 8.262 3.914
23 HB2 ALA 4 1HB ALA 4 1.768 9.999 4.207
24 HB3 ALA 4 2HB ALA 4 0.923 9.262 2.845
25 H ARG 5 H ARG 5 -2.030 8.737 3.236
26 HA ARG 5 HA ARG 5 -2.254 5.783 3.362
27 HB2 ARG 5 1HB ARG 5 -4.531 7.804 3.491
28 HB3 ARG 5 2HB ARG 5 -4.739 6.057 3.339
29 HG2 ARG 5 1HG ARG 5 -3.682 5.728 5.548
30 HG3 ARG 5 2HG ARG 5 -3.429 7.472 5.695
31 HD2 ARG 5 1HD ARG 5 -6.100 6.019 5.578
32 HD3 ARG 5 2HD ARG 5 -5.392 6.818 6.991
33 HE ARG 5 HE ARG 5 -6.790 8.049 4.772
34 HH11 ARG 5 1HH1 ARG 5 -4.586 8.695 7.431
35 HH12 ARG 5 2HH1 ARG 5 -4.896 10.400 7.430
36 HH21 ARG 5 1HH2 ARG 5 -7.189 10.281 4.794
37 HH22 ARG 5 2HH2 ARG 5 -6.392 11.295 5.952
38 H CYS 6 H CYS 6 -2.659 4.790 1.518
39 HA CYS 6 HA CYS 6 -3.270 6.301 -0.940
40 HB2 CYS 6 1HB CYS 6 -1.275 4.028 -0.622
41 HB3 CYS 6 2HB CYS 6 -1.735 4.763 -2.157
42 HG CYS 6 HG CYS 6 -0.779 7.160 -0.198
43 H ARG 7 H ARG 7 -4.069 4.778 -2.677
44 HA ARG 7 HA ARG 7 -5.340 2.306 -1.713
45 HB2 ARG 7 1HB ARG 7 -7.041 4.133 -1.601
46 HB3 ARG 7 2HB ARG 7 -6.781 4.473 -3.310
47 HG2 ARG 7 1HG ARG 7 -7.598 2.181 -3.867
48 HG3 ARG 7 2HG ARG 7 -7.897 1.887 -2.152
49 HD2 ARG 7 1HD ARG 7 -9.963 2.511 -3.351
50 HD3 ARG 7 2HD ARG 7 -9.555 3.697 -2.100
51 HE ARG 7 HE ARG 7 -8.872 4.115 -4.959
52 HH11 ARG 7 1HH1 ARG 7 -10.439 5.294 -2.043
53 HH12 ARG 7 2HH1 ARG 7 -10.726 6.863 -2.714
54 HH21 ARG 7 1HH2 ARG 7 -9.263 6.165 -5.812
55 HH22 ARG 7 2HH2 ARG 7 -10.076 7.354 -4.841
56 H THR 8 H THR 8 -5.251 0.684 -3.207
57 HA THR 8 HA THR 8 -3.635 0.897 -5.529
58 HB THR 8 HB THR 8 -4.756 -1.501 -5.953
59 HG1 THR 8 HG1 THR 8 -5.433 -2.287 -3.783
60 HG21 THR 8 3HG2 THR 8 -3.198 -2.530 -4.341
61 HG22 THR 8 1HG2 THR 8 -2.973 -0.971 -3.542
62 HG23 THR 8 2HG2 THR 8 -2.420 -1.203 -5.201
63 H LEU 9 H LEU 9 -4.136 1.399 -7.559
64 HA LEU 9 HA LEU 9 -6.758 2.308 -8.345
65 HB2 LEU 9 1HB LEU 9 -4.298 1.858 -10.107
66 HB3 LEU 9 2HB LEU 9 -5.734 2.768 -10.536
67 HG LEU 9 HG LEU 9 -5.057 4.374 -8.584
68 HD11 LEU 9 1HD1 LEU 9 -2.390 2.986 -8.952
69 HD12 LEU 9 2HD1 LEU 9 -3.377 3.014 -7.485
70 HD13 LEU 9 3HD1 LEU 9 -2.654 4.503 -8.085
71 HD21 LEU 9 3HD2 LEU 9 -3.594 5.688 -10.057
72 HD22 LEU 9 1HD2 LEU 9 -4.955 5.015 -10.954
73 HD23 LEU 9 2HD2 LEU 9 -3.355 4.282 -11.101
74 H TYR 10 H TYR 10 -4.685 -0.440 -8.901
75 HA TYR 10 HA TYR 10 -6.859 -2.056 -10.080
76 HB2 TYR 10 1HB TYR 10 -3.899 -2.143 -10.895
77 HB3 TYR 10 2HB TYR 10 -5.191 -3.135 -11.567
78 HD1 TYR 10 HD2 TYR 10 -7.066 -1.976 -12.893
79 HD2 TYR 10 HD1 TYR 10 -3.441 0.030 -11.827
80 HE1 TYR 10 HE2 TYR 10 -7.522 -0.250 -14.579
81 HE2 TYR 10 HE1 TYR 10 -3.906 1.759 -13.513
82 HH TYR 10 HH TYR 10 -6.940 2.056 -15.062
83 HA PRO 11 HA PRO 11 -5.808 -4.851 -6.732
84 HB2 PRO 11 1HB PRO 11 -6.278 -7.231 -8.481
85 HB3 PRO 11 2HB PRO 11 -7.156 -6.703 -7.038
86 HG2 PRO 11 1HG PRO 11 -8.237 -6.499 -9.502
87 HG3 PRO 11 2HG PRO 11 -8.561 -5.292 -8.238
88 HD2 PRO 11 1HD PRO 11 -6.629 -5.134 -10.563
89 HD3 PRO 11 2HD PRO 11 -7.759 -3.904 -9.949
90 H PHE 12 H PHE 12 -4.019 -5.899 -5.939
91 HA PHE 12 HA PHE 12 -1.757 -6.432 -7.720
92 HB2 PHE 12 1HB PHE 12 -1.340 -5.214 -5.561
93 HB3 PHE 12 2HB PHE 12 -1.922 -6.602 -4.653
94 HD1 PHE 12 HD1 PHE 12 0.825 -5.332 -6.808
95 HD2 PHE 12 HD2 PHE 12 -0.484 -8.540 -4.301
96 HE1 PHE 12 HE1 PHE 12 3.104 -6.258 -6.792
97 HE2 PHE 12 HE2 PHE 12 1.796 -9.458 -4.288
98 HZ PHE 12 HZ PHE 12 3.593 -8.319 -5.534
99 H SER 13 H SER 13 -1.890 -8.295 -8.724
100 HA SER 13 HA SER 13 -3.530 -10.452 -8.066
101 HB2 SER 13 1HB SER 13 -1.085 -10.391 -9.884
102 HB3 SER 13 2HB SER 13 -2.305 -11.666 -9.878
103 HG SER 13 HG SER 13 -2.412 -9.098 -10.898
104 H GLY 14 H GLY 14 -3.218 -12.352 -6.995
105 HA2 GLY 14 1HA GLY 14 -1.097 -12.599 -5.065
106 HA3 GLY 14 2HA GLY 14 -2.408 -13.739 -5.347
107 H GLU 15 H GLU 15 0.614 -12.563 -6.769
108 HA GLU 15 HA GLU 15 0.965 -14.702 -8.612
109 HB2 GLU 15 1HB GLU 15 2.965 -12.614 -7.615
110 HB3 GLU 15 2HB GLU 15 3.207 -13.676 -9.004
111 HG2 GLU 15 1HG GLU 15 1.032 -11.562 -8.750
112 HG3 GLU 15 2HG GLU 15 2.535 -11.389 -9.659
113 H ARG 16 H ARG 16 0.998 -16.646 -7.669
114 HA ARG 16 HA ARG 16 2.487 -17.283 -5.280
115 HB2 ARG 16 1HB ARG 16 0.911 -18.985 -7.256
116 HB3 ARG 16 2HB ARG 16 1.689 -19.647 -5.818
117 HG2 ARG 16 1HG ARG 16 0.267 -18.300 -4.366
118 HG3 ARG 16 2HG ARG 16 -0.446 -17.477 -5.758
119 HD2 ARG 16 1HD ARG 16 -1.531 -19.509 -6.489
120 HD3 ARG 16 2HD ARG 16 -0.667 -20.473 -5.286
121 HE ARG 16 HE ARG 16 -1.908 -19.031 -3.592
122 HH11 ARG 16 1HH1 ARG 16 -3.327 -19.755 -6.721
123 HH12 ARG 16 2HH1 ARG 16 -4.948 -19.758 -6.114
124 HH21 ARG 16 1HH2 ARG 16 -4.014 -19.045 -2.810
125 HH22 ARG 16 2HH2 ARG 16 -5.333 -19.368 -3.883
126 H HIS 17 H HIS 17 4.488 -16.484 -6.118
127 HA HIS 17 HA HIS 17 6.297 -18.536 -6.846
128 HB2 HIS 17 1HB HIS 17 5.345 -17.895 -9.144
129 HB3 HIS 17 2HB HIS 17 6.029 -16.293 -8.912
130 HD2 HIS 17 HD2 HIS 17 7.188 -19.944 -9.669
131 HE1 HIS 17 HE1 HIS 17 10.474 -17.329 -10.177
132 HE2 HIS 17 HE2 HIS 17 9.679 -19.727 -10.340
133 H GLY 18 H GLY 18 7.407 -17.945 -5.030
134 HA2 GLY 18 1HA GLY 18 9.131 -16.736 -3.957
135 HA3 GLY 18 2HA GLY 18 8.719 -15.308 -4.904
136 H GLN 19 H GLN 19 8.099 -13.749 -3.493
137 HA GLN 19 HA GLN 19 5.800 -14.155 -1.766
138 HB2 GLN 19 1HB GLN 19 7.739 -14.881 -0.335
139 HB3 GLN 19 2HB GLN 19 8.479 -13.303 -0.555
140 HG2 GLN 19 1HG GLN 19 7.401 -13.468 1.637
141 HG3 GLN 19 2HG GLN 19 6.613 -12.242 0.642
142 HE21 GLN 19 2HE2 GLN 19 6.278 -15.440 2.052
143 HE22 GLN 19 1HE2 GLN 19 4.563 -15.548 1.871
144 H GLY 20 H GLY 20 4.706 -12.256 -1.365
145 HA2 GLY 20 1HA GLY 20 5.830 -9.626 -1.780
146 HA3 GLY 20 2HA GLY 20 4.735 -10.132 -3.067
147 H LEU 21 H LEU 21 4.261 -7.926 -1.335
148 HA LEU 21 HA LEU 21 2.286 -8.785 0.660
149 HB2 LEU 21 1HB LEU 21 3.965 -7.004 1.202
150 HB3 LEU 21 2HB LEU 21 3.295 -6.001 -0.072
151 HG LEU 21 HG LEU 21 1.140 -5.853 1.165
152 HD11 LEU 21 1HD1 LEU 21 0.963 -6.656 3.478
153 HD12 LEU 21 2HD1 LEU 21 2.536 -7.442 3.337
154 HD13 LEU 21 3HD1 LEU 21 1.181 -7.986 2.343
155 HD21 LEU 21 3HD2 LEU 21 3.552 -5.030 2.821
156 HD22 LEU 21 1HD2 LEU 21 1.916 -4.381 2.982
157 HD23 LEU 21 2HD2 LEU 21 2.829 -4.108 1.500
158 H ARG 22 H ARG 22 0.144 -8.770 0.260
159 HA ARG 22 HA ARG 22 -0.846 -8.097 -2.408
160 HB2 ARG 22 1HB ARG 22 -1.440 -10.290 -1.578
161 HB3 ARG 22 2HB ARG 22 -2.033 -9.630 -0.056
162 HG2 ARG 22 1HG ARG 22 -3.893 -8.520 -1.316
163 HG3 ARG 22 2HG ARG 22 -3.310 -9.282 -2.796
164 HD2 ARG 22 1HD ARG 22 -3.805 -11.486 -1.933
165 HD3 ARG 22 2HD ARG 22 -4.172 -10.835 -0.333
166 HE ARG 22 HE ARG 22 -6.100 -9.679 -1.385
167 HH11 ARG 22 1HH1 ARG 22 -4.832 -12.535 -3.028
168 HH12 ARG 22 2HH1 ARG 22 -6.356 -12.917 -3.757
169 HH21 ARG 22 1HH2 ARG 22 -8.067 -10.229 -2.340
170 HH22 ARG 22 2HH2 ARG 22 -8.168 -11.613 -3.374
171 H PHE 23 H PHE 23 -2.035 -6.303 -2.846
172 HA PHE 23 HA PHE 23 -4.104 -5.467 -0.933
173 HB2 PHE 23 1HB PHE 23 -2.266 -3.492 -2.380
174 HB3 PHE 23 2HB PHE 23 -3.763 -3.042 -1.577
175 HD1 PHE 23 HD1 PHE 23 -3.920 -3.692 0.994
176 HD2 PHE 23 HD2 PHE 23 -0.254 -3.297 -1.172
177 HE1 PHE 23 HE1 PHE 23 -2.702 -3.313 3.102
178 HE2 PHE 23 HE2 PHE 23 0.948 -2.922 0.940
179 HZ PHE 23 HZ PHE 23 -0.272 -2.932 3.077
180 H ALA 24 H ALA 24 -5.869 -6.030 -2.055
181 HA ALA 24 HA ALA 24 -6.097 -5.926 -4.941
182 HB1 ALA 24 3HB ALA 24 -7.251 -7.684 -3.656
183 HB2 ALA 24 1HB ALA 24 -8.413 -6.711 -4.563
184 HB3 ALA 24 2HB ALA 24 -8.219 -6.468 -2.822
185 H ALA 25 H ALA 25 -7.854 -4.644 -6.012
186 HA ALA 25 HA ALA 25 -7.450 -1.887 -5.615
187 HB1 ALA 25 3HB ALA 25 -9.144 -1.553 -7.368
188 HB2 ALA 25 1HB ALA 25 -9.648 -3.237 -7.215
189 HB3 ALA 25 2HB ALA 25 -8.030 -2.851 -7.807
190 H GLY 26 H GLY 26 -8.310 -0.546 -4.151
191 HA2 GLY 26 1HA GLY 26 -10.300 0.503 -3.198
192 HA3 GLY 26 2HA GLY 26 -10.983 -1.099 -2.949
193 H GLU 27 H GLU 27 -8.169 -2.011 -2.056
194 HA GLU 27 HA GLU 27 -8.465 -1.507 0.750
195 HB2 GLU 27 1HB GLU 27 -6.242 -2.886 -0.812
196 HB3 GLU 27 2HB GLU 27 -6.270 -2.759 0.950
197 HG2 GLU 27 1HG GLU 27 -8.428 -4.010 0.977
198 HG3 GLU 27 2HG GLU 27 -8.322 -4.176 -0.780
199 H LEU 28 H LEU 28 -7.216 -0.306 2.136
200 HA LEU 28 HA LEU 28 -5.820 1.976 0.935
201 HB2 LEU 28 1HB LEU 28 -6.946 1.558 3.733
202 HB3 LEU 28 2HB LEU 28 -5.981 2.954 3.290
203 HG LEU 28 HG LEU 28 -8.246 3.662 3.263
204 HD11 LEU 28 1HD1 LEU 28 -8.629 4.394 0.977
205 HD12 LEU 28 2HD1 LEU 28 -7.458 3.213 0.380
206 HD13 LEU 28 3HD1 LEU 28 -6.928 4.536 1.424
207 HD21 LEU 28 3HD2 LEU 28 -8.960 1.299 1.513
208 HD22 LEU 28 1HD2 LEU 28 -10.056 2.590 2.020
209 HD23 LEU 28 2HD2 LEU 28 -9.358 1.506 3.220
210 H ILE 29 H ILE 29 -3.696 1.904 0.792
211 HA ILE 29 HA ILE 29 -2.026 0.131 2.393
212 HB ILE 29 HB ILE 29 -1.218 2.174 0.240
213 HG12 ILE 29 1HG1 ILE 29 -0.812 0.044 -1.192
214 HG13 ILE 29 2HG1 ILE 29 -1.791 -0.817 -0.015
215 HG21 ILE 29 1HG2 ILE 29 0.953 0.974 0.173
216 HG22 ILE 29 2HG2 ILE 29 0.433 -0.059 1.508
217 HG23 ILE 29 3HG2 ILE 29 0.643 1.677 1.762
218 HD11 ILE 29 3HD1 ILE 29 -3.705 0.588 -0.602
219 HD12 ILE 29 1HD1 ILE 29 -3.042 -0.250 -2.003
220 HD13 ILE 29 2HD1 ILE 29 -2.707 1.465 -1.765
221 H THR 30 H THR 30 -1.631 0.850 4.423
222 HA THR 30 HA THR 30 -1.607 3.693 5.076
223 HB THR 30 HB THR 30 -1.157 1.281 6.905
224 HG1 THR 30 HG1 THR 30 -3.231 1.288 5.901
225 HG21 THR 30 3HG2 THR 30 -1.881 4.167 7.595
226 HG22 THR 30 1HG2 THR 30 -0.315 3.397 7.897
227 HG23 THR 30 2HG2 THR 30 -1.754 2.835 8.745
228 H LEU 31 H LEU 31 0.198 4.664 4.389
229 HA LEU 31 HA LEU 31 2.790 3.442 4.300
230 HB2 LEU 31 1HB LEU 31 1.953 6.325 3.838
231 HB3 LEU 31 2HB LEU 31 3.556 5.674 3.508
232 HG LEU 31 HG LEU 31 0.990 4.802 2.100
233 HD11 LEU 31 1HD1 LEU 31 1.600 7.083 1.491
234 HD12 LEU 31 2HD1 LEU 31 1.890 5.988 0.142
235 HD13 LEU 31 3HD1 LEU 31 3.249 6.574 1.107
236 HD21 LEU 31 3HD2 LEU 31 2.625 2.965 2.211
237 HD22 LEU 31 1HD2 LEU 31 3.884 4.011 1.545
238 HD23 LEU 31 2HD2 LEU 31 2.484 3.567 0.563
239 H LEU 32 H LEU 32 3.693 3.007 6.184
240 HA LEU 32 HA LEU 32 3.585 4.658 8.547
241 HB2 LEU 32 1HB LEU 32 5.410 2.307 7.907
242 HB3 LEU 32 2HB LEU 32 5.048 2.948 9.508
243 HG LEU 32 HG LEU 32 3.080 1.504 7.671
244 HD11 LEU 32 1HD1 LEU 32 4.498 0.578 10.188
245 HD12 LEU 32 2HD1 LEU 32 4.699 -0.037 8.540
246 HD13 LEU 32 3HD1 LEU 32 3.179 -0.285 9.391
247 HD21 LEU 32 3HD2 LEU 32 1.506 1.552 9.574
248 HD22 LEU 32 1HD2 LEU 32 1.902 3.178 9.022
249 HD23 LEU 32 2HD2 LEU 32 2.636 2.547 10.498
250 H GLN 33 H GLN 33 5.920 3.844 6.025
251 HA GLN 33 HA GLN 33 7.710 6.064 6.844
252 HB2 GLN 33 1HB GLN 33 8.444 3.348 5.649
253 HB3 GLN 33 2HB GLN 33 9.581 4.682 5.834
254 HG2 GLN 33 1HG GLN 33 8.121 3.315 8.122
255 HG3 GLN 33 2HG GLN 33 9.775 2.950 7.607
256 HE21 GLN 33 2HE2 GLN 33 7.719 5.269 9.228
257 HE22 GLN 33 1HE2 GLN 33 8.991 6.244 9.869
258 H VAL 34 H VAL 34 8.256 7.476 5.260
259 HA VAL 34 HA VAL 34 7.752 6.872 2.430
260 HB VAL 34 HB VAL 34 6.826 9.285 2.166
261 HG11 VAL 34 1HG1 VAL 34 5.078 7.252 3.600
262 HG12 VAL 34 2HG1 VAL 34 5.399 7.308 1.867
263 HG13 VAL 34 3HG1 VAL 34 4.492 8.612 2.636
264 HG21 VAL 34 3HG2 VAL 34 7.412 10.151 4.418
265 HG22 VAL 34 1HG2 VAL 34 6.298 9.001 5.160
266 HG23 VAL 34 2HG2 VAL 34 5.677 10.293 4.129
267 HA PRO 35 HA PRO 35 11.943 8.886 3.181
268 HB2 PRO 35 1HB PRO 35 13.470 7.052 1.853
269 HB3 PRO 35 2HB PRO 35 12.996 6.835 3.546
270 HG2 PRO 35 1HG PRO 35 11.741 5.664 1.059
271 HG3 PRO 35 2HG PRO 35 12.150 4.850 2.584
272 HD2 PRO 35 1HD PRO 35 9.613 5.677 2.031
273 HD3 PRO 35 2HD PRO 35 10.259 5.679 3.685
274 H ASP 36 H ASP 36 13.502 9.647 1.491
275 HA ASP 36 HA ASP 36 12.191 10.802 -0.764
276 HB2 ASP 36 1HB ASP 36 15.109 10.725 0.116
277 HB3 ASP 36 2HB ASP 36 14.603 11.537 -1.363
278 H GLY 37 H GLY 37 11.418 9.227 -2.064
279 HA2 GLY 37 1HA GLY 37 12.786 8.269 -4.233
280 HA3 GLY 37 2HA GLY 37 12.903 6.970 -3.046
281 H GLY 38 H GLY 38 11.681 5.790 -4.733
282 HA2 GLY 38 1HA GLY 38 8.823 6.457 -5.014
283 HA3 GLY 38 2HA GLY 38 9.713 5.228 -5.895
284 H TRP 39 H TRP 39 10.854 4.196 -3.295
285 HA TRP 39 HA TRP 39 8.701 2.221 -2.958
286 HB2 TRP 39 1HB TRP 39 11.664 2.028 -2.232
287 HB3 TRP 39 2HB TRP 39 10.494 0.705 -2.197
288 HD1 TRP 39 HD1 TRP 39 12.569 2.817 -4.655
289 HE1 TRP 39 HE1 TRP 39 12.451 1.752 -6.988
290 HE3 TRP 39 HE3 TRP 39 9.030 -0.777 -3.740
291 HZ2 TRP 39 HZ2 TRP 39 11.050 -0.319 -8.288
292 HZ3 TRP 39 HZ3 TRP 39 8.359 -2.259 -5.588
293 HH2 TRP 39 HH2 TRP 39 9.351 -2.038 -7.814
294 H TRP 40 H TRP 40 7.376 2.859 -1.384
295 HA TRP 40 HA TRP 40 8.430 3.843 1.211
296 HB2 TRP 40 1HB TRP 40 5.690 4.276 -0.088
297 HB3 TRP 40 2HB TRP 40 6.188 4.914 1.476
298 HD1 TRP 40 HD1 TRP 40 9.191 5.818 0.129
299 HE1 TRP 40 HE1 TRP 40 9.200 8.053 -1.124
300 HE3 TRP 40 HE3 TRP 40 4.177 6.270 -0.789
301 HZ2 TRP 40 HZ2 TRP 40 7.359 9.787 -2.345
302 HZ3 TRP 40 HZ3 TRP 40 3.377 8.259 -2.008
303 HH2 TRP 40 HH2 TRP 40 4.941 9.985 -2.772
304 H GLU 41 H GLU 41 7.378 3.037 3.136
305 HA GLU 41 HA GLU 41 6.640 0.212 2.859
306 HB2 GLU 41 1HB GLU 41 8.369 0.703 4.528
307 HB3 GLU 41 2HB GLU 41 7.322 1.873 5.334
308 HG2 GLU 41 1HG GLU 41 5.756 0.058 5.951
309 HG3 GLU 41 2HG GLU 41 6.774 -1.114 5.119
310 H GLY 42 H GLY 42 4.640 -0.441 2.983
311 HA2 GLY 42 1HA GLY 42 2.531 1.127 4.338
312 HA3 GLY 42 2HA GLY 42 2.273 0.235 2.844
313 H GLU 43 H GLU 43 1.213 -0.036 5.703
314 HA GLU 43 HA GLU 43 2.015 -2.833 6.217
315 HB2 GLU 43 1HB GLU 43 2.316 -1.180 8.057
316 HB3 GLU 43 2HB GLU 43 0.587 -0.875 8.060
317 HG2 GLU 43 1HG GLU 43 0.154 -3.183 8.775
318 HG3 GLU 43 2HG GLU 43 1.871 -3.566 8.668
319 H LYS 44 H LYS 44 0.597 -4.400 6.216
320 HA LYS 44 HA LYS 44 -2.207 -3.995 5.430
321 HB2 LYS 44 1HB LYS 44 -0.526 -5.635 4.283
322 HB3 LYS 44 2HB LYS 44 -0.706 -6.646 5.711
323 HG2 LYS 44 1HG LYS 44 -3.096 -6.919 5.242
324 HG3 LYS 44 2HG LYS 44 -2.965 -5.804 3.871
325 HD2 LYS 44 1HD LYS 44 -1.287 -7.414 2.845
326 HD3 LYS 44 2HD LYS 44 -1.684 -8.549 4.144
327 HE2 LYS 44 1HE LYS 44 -3.617 -7.445 2.078
328 HE3 LYS 44 2HE LYS 44 -2.932 -9.070 2.098
329 HZ1 LYS 44 3HZ LYS 44 -5.117 -9.146 3.002
330 HZ2 LYS 44 1HZ LYS 44 -4.781 -7.893 4.089
331 HZ3 LYS 44 2HZ LYS 44 -4.029 -9.392 4.269
332 H GLU 45 H GLU 45 -3.903 -5.074 6.735
333 HA GLU 45 HA GLU 45 -3.546 -4.553 9.524
334 HB2 GLU 45 1HB GLU 45 -5.912 -5.943 8.209
335 HB3 GLU 45 2HB GLU 45 -5.883 -5.269 9.826
336 HG2 GLU 45 1HG GLU 45 -7.025 -3.631 8.639
337 HG3 GLU 45 2HG GLU 45 -5.385 -2.997 8.655
338 H ASP 46 H ASP 46 -3.004 -7.387 7.676
339 HA ASP 46 HA ASP 46 -3.304 -9.393 9.681
340 HB2 ASP 46 1HB ASP 46 -1.497 -9.328 7.219
341 HB3 ASP 46 2HB ASP 46 -1.825 -10.763 8.191
342 H GLY 47 H GLY 47 -0.948 -6.931 9.210
343 HA2 GLY 47 1HA GLY 47 0.662 -6.376 10.903
344 HA3 GLY 47 2HA GLY 47 0.887 -8.087 11.231
345 H LEU 48 H LEU 48 0.719 -8.100 8.027
346 HA LEU 48 HA LEU 48 3.558 -8.284 7.594
347 HB2 LEU 48 1HB LEU 48 1.143 -8.575 5.766
348 HB3 LEU 48 2HB LEU 48 2.778 -8.602 5.134
349 HG LEU 48 HG LEU 48 3.276 -10.619 6.519
350 HD11 LEU 48 1HD1 LEU 48 1.672 -10.321 8.341
351 HD12 LEU 48 2HD1 LEU 48 1.514 -11.904 7.584
352 HD13 LEU 48 3HD1 LEU 48 0.335 -10.639 7.229
353 HD21 LEU 48 3HD2 LEU 48 2.605 -10.856 4.169
354 HD22 LEU 48 1HD2 LEU 48 0.906 -10.935 4.646
355 HD23 LEU 48 2HD2 LEU 48 2.023 -12.215 5.129
356 H ARG 49 H ARG 49 4.824 -6.584 7.187
357 HA ARG 49 HA ARG 49 3.789 -4.173 5.804
358 HB2 ARG 49 1HB ARG 49 6.373 -4.607 7.387
359 HB3 ARG 49 2HB ARG 49 5.925 -3.101 6.578
360 HG2 ARG 49 1HG ARG 49 3.988 -2.859 8.076
361 HG3 ARG 49 2HG ARG 49 4.391 -4.393 8.862
362 HD2 ARG 49 1HD ARG 49 6.161 -1.918 8.810
363 HD3 ARG 49 2HD ARG 49 5.152 -2.428 10.166
364 HE ARG 49 HE ARG 49 6.584 -4.577 10.015
365 HH11 ARG 49 1HH1 ARG 49 7.850 -1.376 9.343
366 HH12 ARG 49 2HH1 ARG 49 9.409 -1.734 10.003
367 HH21 ARG 49 1HH2 ARG 49 8.646 -5.026 10.873
368 HH22 ARG 49 2HH2 ARG 49 9.862 -3.788 10.870
369 H GLY 50 H GLY 50 5.106 -3.285 4.117
370 HA2 GLY 50 1HA GLY 50 7.354 -4.630 2.989
371 HA3 GLY 50 2HA GLY 50 5.878 -4.982 2.085
372 H TRP 51 H TRP 51 8.002 -3.713 0.956
373 HA TRP 51 HA TRP 51 7.439 -0.854 0.801
374 HB2 TRP 51 1HB TRP 51 9.345 -1.101 -1.078
375 HB3 TRP 51 2HB TRP 51 9.752 -1.090 0.632
376 HD1 TRP 51 HD1 TRP 51 10.822 -3.269 1.664
377 HE1 TRP 51 HE1 TRP 51 11.661 -5.485 0.680
378 HE3 TRP 51 HE3 TRP 51 8.849 -2.897 -3.056
379 HZ2 TRP 51 HZ2 TRP 51 11.511 -6.903 -1.730
380 HZ3 TRP 51 HZ3 TRP 51 9.239 -4.746 -4.638
381 HH2 TRP 51 HH2 TRP 51 10.546 -6.710 -3.985
382 H PHE 52 H PHE 52 6.443 0.114 -0.867
383 HA PHE 52 HA PHE 52 5.534 -1.438 -3.190
384 HB2 PHE 52 1HB PHE 52 3.817 -0.168 -1.107
385 HB3 PHE 52 2HB PHE 52 3.416 0.395 -2.722
386 HD1 PHE 52 HD2 PHE 52 3.722 -2.659 -0.607
387 HD2 PHE 52 HD1 PHE 52 2.245 -1.024 -4.273
388 HE1 PHE 52 HE2 PHE 52 2.470 -4.724 -1.040
389 HE2 PHE 52 HE1 PHE 52 1.001 -3.103 -4.696
390 HZ PHE 52 HZ PHE 52 1.114 -4.955 -3.081
391 HA PRO 53 HA PRO 53 7.107 2.230 -5.285
392 HB2 PRO 53 1HB PRO 53 5.968 1.816 -7.768
393 HB3 PRO 53 2HB PRO 53 7.415 0.970 -7.206
394 HG2 PRO 53 1HG PRO 53 4.583 0.014 -7.333
395 HG3 PRO 53 2HG PRO 53 6.078 -0.886 -7.640
396 HD2 PRO 53 1HD PRO 53 4.628 -1.056 -5.296
397 HD3 PRO 53 2HD PRO 53 6.369 -1.391 -5.395
398 H ALA 54 H ALA 54 6.327 4.241 -5.276
399 HA ALA 54 HA ALA 54 3.754 4.982 -4.450
400 HB1 ALA 54 3HB ALA 54 5.753 6.365 -4.082
401 HB2 ALA 54 1HB ALA 54 4.498 7.296 -4.908
402 HB3 ALA 54 2HB ALA 54 5.882 6.674 -5.814
403 H SER 55 H SER 55 5.066 4.401 -7.615
404 HA SER 55 HA SER 55 3.177 5.702 -9.270
405 HB2 SER 55 1HB SER 55 4.815 3.181 -9.826
406 HB3 SER 55 2HB SER 55 4.048 4.204 -11.050
407 HG SER 55 HG SER 55 5.787 5.454 -9.249
408 H TYR 56 H TYR 56 3.161 2.583 -7.612
409 HA TYR 56 HA TYR 56 0.957 1.460 -9.136
410 HB2 TYR 56 1HB TYR 56 2.940 0.146 -8.178
411 HB3 TYR 56 2HB TYR 56 2.216 0.339 -6.586
412 HD1 TYR 56 HD1 TYR 56 1.652 -1.083 -9.981
413 HD2 TYR 56 HD2 TYR 56 0.444 -1.179 -5.884
414 HE1 TYR 56 HE1 TYR 56 0.285 -3.065 -10.431
415 HE2 TYR 56 HE2 TYR 56 -0.923 -3.184 -6.336
416 HH TYR 56 HH TYR 56 -0.652 -4.967 -9.225
417 H VAL 57 H VAL 57 1.280 3.417 -6.322
418 HA VAL 57 HA VAL 57 -1.462 2.752 -5.397
419 HB VAL 57 HB VAL 57 -0.791 3.485 -3.135
420 HG11 VAL 57 1HG1 VAL 57 1.028 1.302 -4.234
421 HG12 VAL 57 2HG1 VAL 57 -0.630 1.088 -3.669
422 HG13 VAL 57 3HG1 VAL 57 0.635 1.545 -2.527
423 HG21 VAL 57 3HG2 VAL 57 2.032 3.776 -4.252
424 HG22 VAL 57 1HG2 VAL 57 1.596 3.906 -2.543
425 HG23 VAL 57 2HG2 VAL 57 0.996 5.093 -3.702
426 H GLN 58 H GLN 58 -2.779 4.478 -4.693
427 HA GLN 58 HA GLN 58 -2.237 7.055 -6.052
428 HB2 GLN 58 1HB GLN 58 -4.111 5.766 -7.024
429 HB3 GLN 58 2HB GLN 58 -4.891 5.658 -5.447
430 HG2 GLN 58 1HG GLN 58 -5.094 8.179 -5.466
431 HG3 GLN 58 2HG GLN 58 -4.465 8.162 -7.114
432 HE21 GLN 58 2HE2 GLN 58 -7.054 9.100 -6.143
433 HE22 GLN 58 1HE2 GLN 58 -8.248 8.206 -7.011
434 H LEU 59 H LEU 59 -1.764 8.629 -4.635
435 HA LEU 59 HA LEU 59 -2.482 8.746 -1.886
436 HB2 LEU 59 1HB LEU 59 -1.752 11.037 -3.776
437 HB3 LEU 59 2HB LEU 59 -1.703 11.096 -2.015
438 HG LEU 59 HG LEU 59 0.091 9.327 -3.748
439 HD11 LEU 59 1HD1 LEU 59 1.916 10.871 -3.185
440 HD12 LEU 59 2HD1 LEU 59 0.784 11.925 -2.334
441 HD13 LEU 59 3HD1 LEU 59 0.635 11.690 -4.078
442 HD21 LEU 59 3HD2 LEU 59 1.370 8.915 -1.679
443 HD22 LEU 59 1HD2 LEU 59 -0.293 8.351 -1.532
444 HD23 LEU 59 2HD2 LEU 59 0.196 9.855 -0.753
445 H LEU 60 H LEU 60 -4.493 9.184 -1.074
446 HA LEU 60 HA LEU 60 -6.663 10.115 -2.741
447 HB2 LEU 60 1HB LEU 60 -6.573 9.545 0.247
448 HB3 LEU 60 2HB LEU 60 -8.015 10.053 -0.617
449 HG LEU 60 HG LEU 60 -7.632 7.935 -2.101
450 HD11 LEU 60 1HD1 LEU 60 -6.499 6.057 -1.026
451 HD12 LEU 60 2HD1 LEU 60 -5.959 7.111 0.282
452 HD13 LEU 60 3HD1 LEU 60 -5.378 7.375 -1.365
453 HD21 LEU 60 3HD2 LEU 60 -8.917 6.526 -0.574
454 HD22 LEU 60 1HD2 LEU 60 -9.513 8.187 -0.565
455 HD23 LEU 60 2HD2 LEU 60 -8.525 7.599 0.775
Start of MODEL 6
1 H1 MET 1 1H MET 1 -5.974 7.913 11.558
2 H2 MET 1 2H MET 1 -7.047 8.672 10.496
3 H3 MET 1 3H MET 1 -6.366 9.544 11.774
4 HA MET 1 HA MET 1 -4.892 8.385 9.483
5 HB2 MET 1 1HB MET 1 -5.460 11.316 10.136
6 HB3 MET 1 2HB MET 1 -4.540 10.724 8.759
7 HG2 MET 1 1HG MET 1 -6.549 9.680 7.845
8 HG3 MET 1 2HG MET 1 -7.480 10.208 9.247
9 HE1 MET 1 3HE MET 1 -8.922 12.483 6.406
10 HE2 MET 1 1HE MET 1 -9.312 11.354 7.703
11 HE3 MET 1 2HE MET 1 -8.438 10.791 6.276
12 H SER 2 H SER 2 -3.586 7.317 11.086
13 HA SER 2 HA SER 2 -2.067 8.799 13.054
14 HB2 SER 2 1HB SER 2 -0.926 6.506 13.320
15 HB3 SER 2 2HB SER 2 -2.669 6.531 13.600
16 HG SER 2 HG SER 2 -1.938 4.795 12.230
17 H GLY 3 H GLY 3 -1.172 6.847 10.201
18 HA2 GLY 3 1HA GLY 3 1.141 8.634 9.652
19 HA3 GLY 3 2HA GLY 3 0.997 6.953 9.141
20 H ALA 4 H ALA 4 1.537 7.996 7.019
21 HA ALA 4 HA ALA 4 -0.523 9.407 5.592
22 HB1 ALA 4 3HB ALA 4 0.879 9.020 3.600
23 HB2 ALA 4 1HB ALA 4 1.888 7.897 4.522
24 HB3 ALA 4 2HB ALA 4 1.856 9.608 4.949
25 H ARG 5 H ARG 5 -1.558 8.448 3.610
26 HA ARG 5 HA ARG 5 -2.005 5.541 3.660
27 HB2 ARG 5 1HB ARG 5 -4.464 5.826 3.464
28 HB3 ARG 5 2HB ARG 5 -3.865 6.418 5.010
29 HG2 ARG 5 1HG ARG 5 -4.104 8.715 4.309
30 HG3 ARG 5 2HG ARG 5 -4.450 8.232 2.648
31 HD2 ARG 5 1HD ARG 5 -6.555 7.185 3.378
32 HD3 ARG 5 2HD ARG 5 -6.214 7.645 5.048
33 HE ARG 5 HE ARG 5 -6.227 10.022 4.129
34 HH11 ARG 5 1HH1 ARG 5 -8.290 7.498 2.794
35 HH12 ARG 5 2HH1 ARG 5 -9.474 8.621 2.212
36 HH21 ARG 5 1HH2 ARG 5 -7.807 11.457 3.384
37 HH22 ARG 5 2HH2 ARG 5 -9.198 10.853 2.549
38 H CYS 6 H CYS 6 -2.625 4.685 1.688
39 HA CYS 6 HA CYS 6 -3.028 6.431 -0.627
40 HB2 CYS 6 1HB CYS 6 -0.908 4.243 -0.582
41 HB3 CYS 6 2HB CYS 6 -1.315 5.279 -1.950
42 HG CYS 6 HG CYS 6 1.077 6.207 -1.054
43 H ARG 7 H ARG 7 -4.172 5.445 -2.272
44 HA ARG 7 HA ARG 7 -5.575 2.954 -1.521
45 HB2 ARG 7 1HB ARG 7 -6.923 5.065 -1.638
46 HB3 ARG 7 2HB ARG 7 -6.508 5.226 -3.333
47 HG2 ARG 7 1HG ARG 7 -7.966 2.761 -2.344
48 HG3 ARG 7 2HG ARG 7 -8.842 4.261 -2.644
49 HD2 ARG 7 1HD ARG 7 -7.259 2.635 -4.664
50 HD3 ARG 7 2HD ARG 7 -9.010 2.861 -4.615
51 HE ARG 7 HE ARG 7 -8.044 5.389 -4.818
52 HH11 ARG 7 1HH1 ARG 7 -7.609 2.515 -6.796
53 HH12 ARG 7 2HH1 ARG 7 -7.302 3.428 -8.237
54 HH21 ARG 7 1HH2 ARG 7 -7.615 6.545 -6.710
55 HH22 ARG 7 2HH2 ARG 7 -7.302 5.700 -8.190
56 H THR 8 H THR 8 -5.669 1.307 -2.915
57 HA THR 8 HA THR 8 -3.545 1.024 -4.815
58 HB THR 8 HB THR 8 -4.436 -1.342 -4.956
59 HG1 THR 8 HG1 THR 8 -6.128 -1.722 -3.257
60 HG21 THR 8 3HG2 THR 8 -3.959 -1.941 -2.601
61 HG22 THR 8 1HG2 THR 8 -4.096 -0.240 -2.141
62 HG23 THR 8 2HG2 THR 8 -2.792 -0.766 -3.206
63 H LEU 9 H LEU 9 -3.646 1.275 -6.952
64 HA LEU 9 HA LEU 9 -5.965 2.081 -8.381
65 HB2 LEU 9 1HB LEU 9 -3.233 1.139 -9.327
66 HB3 LEU 9 2HB LEU 9 -4.452 1.823 -10.395
67 HG LEU 9 HG LEU 9 -3.177 3.308 -8.059
68 HD11 LEU 9 1HD1 LEU 9 -1.510 2.881 -9.786
69 HD12 LEU 9 2HD1 LEU 9 -1.932 4.590 -9.733
70 HD13 LEU 9 3HD1 LEU 9 -2.574 3.564 -11.022
71 HD21 LEU 9 3HD2 LEU 9 -4.247 5.301 -9.048
72 HD22 LEU 9 1HD2 LEU 9 -5.428 4.102 -8.530
73 HD23 LEU 9 2HD2 LEU 9 -5.046 4.282 -10.244
74 H TYR 10 H TYR 10 -4.002 -0.915 -8.522
75 HA TYR 10 HA TYR 10 -6.342 -2.406 -9.575
76 HB2 TYR 10 1HB TYR 10 -3.461 -2.536 -10.597
77 HB3 TYR 10 2HB TYR 10 -4.732 -3.654 -11.080
78 HD1 TYR 10 HD2 TYR 10 -6.908 -2.558 -12.091
79 HD2 TYR 10 HD1 TYR 10 -3.123 -0.580 -11.903
80 HE1 TYR 10 HE2 TYR 10 -7.638 -1.005 -13.849
81 HE2 TYR 10 HE1 TYR 10 -3.853 0.981 -13.659
82 HH TYR 10 HH TYR 10 -7.113 1.249 -14.655
83 HA PRO 11 HA PRO 11 -5.413 -5.427 -6.395
84 HB2 PRO 11 1HB PRO 11 -6.098 -7.634 -8.296
85 HB3 PRO 11 2HB PRO 11 -6.885 -7.170 -6.782
86 HG2 PRO 11 1HG PRO 11 -8.048 -6.695 -9.158
87 HG3 PRO 11 2HG PRO 11 -8.206 -5.554 -7.806
88 HD2 PRO 11 1HD PRO 11 -6.379 -5.398 -10.208
89 HD3 PRO 11 2HD PRO 11 -7.376 -4.124 -9.464
90 H PHE 12 H PHE 12 -3.598 -6.420 -5.704
91 HA PHE 12 HA PHE 12 -1.682 -7.550 -7.674
92 HB2 PHE 12 1HB PHE 12 -0.878 -5.615 -6.230
93 HB3 PHE 12 2HB PHE 12 -1.103 -6.626 -4.811
94 HD1 PHE 12 HD2 PHE 12 0.950 -6.042 -7.823
95 HD2 PHE 12 HD1 PHE 12 0.488 -8.434 -4.312
96 HE1 PHE 12 HE2 PHE 12 3.236 -6.897 -8.100
97 HE2 PHE 12 HE1 PHE 12 2.777 -9.283 -4.590
98 HZ PHE 12 HZ PHE 12 4.155 -8.517 -6.486
99 H SER 13 H SER 13 -2.465 -9.603 -7.811
100 HA SER 13 HA SER 13 -1.854 -11.326 -5.518
101 HB2 SER 13 1HB SER 13 -4.358 -11.586 -7.242
102 HB3 SER 13 2HB SER 13 -3.772 -12.851 -6.157
103 HG SER 13 HG SER 13 -4.585 -10.227 -5.429
104 H GLY 14 H GLY 14 0.094 -11.082 -6.831
105 HA2 GLY 14 1HA GLY 14 0.225 -12.899 -9.159
106 HA3 GLY 14 2HA GLY 14 1.406 -11.668 -8.741
107 H GLU 15 H GLU 15 1.859 -12.066 -6.116
108 HA GLU 15 HA GLU 15 3.120 -13.197 -4.616
109 HB2 GLU 15 1HB GLU 15 1.517 -15.598 -5.602
110 HB3 GLU 15 2HB GLU 15 2.446 -15.546 -4.105
111 HG2 GLU 15 1HG GLU 15 0.966 -13.731 -3.275
112 HG3 GLU 15 2HG GLU 15 0.017 -13.845 -4.757
113 H ARG 16 H ARG 16 4.247 -12.837 -7.248
114 HA ARG 16 HA ARG 16 5.561 -15.100 -8.292
115 HB2 ARG 16 1HB ARG 16 5.213 -12.792 -9.394
116 HB3 ARG 16 2HB ARG 16 6.592 -12.237 -8.460
117 HG2 ARG 16 1HG ARG 16 7.400 -12.749 -10.641
118 HG3 ARG 16 2HG ARG 16 7.967 -14.047 -9.586
119 HD2 ARG 16 1HD ARG 16 6.080 -15.466 -10.367
120 HD3 ARG 16 2HD ARG 16 5.576 -14.172 -11.461
121 HE ARG 16 HE ARG 16 8.312 -14.988 -11.826
122 HH11 ARG 16 1HH1 ARG 16 5.011 -15.730 -12.775
123 HH12 ARG 16 2HH1 ARG 16 5.499 -16.531 -14.229
124 HH21 ARG 16 1HH2 ARG 16 8.917 -16.053 -13.730
125 HH22 ARG 16 2HH2 ARG 16 7.689 -16.711 -14.765
126 H HIS 17 H HIS 17 6.451 -12.765 -5.826
127 HA HIS 17 HA HIS 17 8.790 -14.368 -4.979
128 HB2 HIS 17 1HB HIS 17 8.456 -11.329 -4.882
129 HB3 HIS 17 2HB HIS 17 9.790 -12.209 -4.134
130 HD2 HIS 17 HD2 HIS 17 8.574 -11.116 -7.690
131 HE1 HIS 17 HE1 HIS 17 12.478 -12.723 -7.979
132 HE2 HIS 17 HE2 HIS 17 10.550 -11.700 -9.262
133 H GLY 18 H GLY 18 9.116 -14.520 -2.737
134 HA2 GLY 18 1HA GLY 18 6.850 -14.645 -1.041
135 HA3 GLY 18 2HA GLY 18 8.531 -14.792 -0.552
136 H GLN 19 H GLN 19 9.478 -12.269 -1.373
137 HA GLN 19 HA GLN 19 8.437 -10.545 0.725
138 HB2 GLN 19 1HB GLN 19 10.727 -10.099 -1.249
139 HB3 GLN 19 2HB GLN 19 10.271 -8.960 0.007
140 HG2 GLN 19 1HG GLN 19 12.154 -10.133 0.831
141 HG3 GLN 19 2HG GLN 19 10.767 -10.786 1.699
142 HE21 GLN 19 2HE2 GLN 19 10.124 -12.932 1.301
143 HE22 GLN 19 1HE2 GLN 19 11.140 -14.058 0.473
144 H GLY 20 H GLY 20 6.345 -10.062 0.000
145 HA2 GLY 20 1HA GLY 20 6.041 -7.730 -1.564
146 HA3 GLY 20 2HA GLY 20 5.577 -9.135 -2.526
147 H LEU 21 H LEU 21 4.119 -6.802 -1.111
148 HA LEU 21 HA LEU 21 2.229 -8.210 0.620
149 HB2 LEU 21 1HB LEU 21 2.978 -5.995 1.364
150 HB3 LEU 21 2HB LEU 21 2.479 -5.278 -0.158
151 HG LEU 21 HG LEU 21 0.094 -5.755 0.401
152 HD11 LEU 21 1HD1 LEU 21 1.139 -6.717 3.076
153 HD12 LEU 21 2HD1 LEU 21 0.397 -7.716 1.822
154 HD13 LEU 21 3HD1 LEU 21 -0.554 -6.480 2.639
155 HD21 LEU 21 3HD2 LEU 21 1.032 -3.554 0.936
156 HD22 LEU 21 1HD2 LEU 21 1.544 -4.135 2.524
157 HD23 LEU 21 2HD2 LEU 21 -0.175 -4.027 2.129
158 H ARG 22 H ARG 22 0.503 -9.163 -0.262
159 HA ARG 22 HA ARG 22 -0.496 -8.351 -2.896
160 HB2 ARG 22 1HB ARG 22 -1.818 -10.393 -2.866
161 HB3 ARG 22 2HB ARG 22 -0.149 -10.768 -2.459
162 HG2 ARG 22 1HG ARG 22 -0.743 -10.994 -0.090
163 HG3 ARG 22 2HG ARG 22 -2.408 -10.517 -0.443
164 HD2 ARG 22 1HD ARG 22 -0.997 -13.017 -1.445
165 HD3 ARG 22 2HD ARG 22 -2.261 -12.942 -0.210
166 HE ARG 22 HE ARG 22 -3.244 -11.768 -2.572
167 HH11 ARG 22 1HH1 ARG 22 -2.371 -14.942 -1.380
168 HH12 ARG 22 2HH1 ARG 22 -3.476 -15.765 -2.431
169 HH21 ARG 22 1HH2 ARG 22 -4.678 -12.843 -3.943
170 HH22 ARG 22 2HH2 ARG 22 -4.787 -14.576 -3.889
171 H PHE 23 H PHE 23 -2.639 -7.705 -3.251
172 HA PHE 23 HA PHE 23 -4.519 -7.205 -1.140
173 HB2 PHE 23 1HB PHE 23 -4.536 -4.662 -1.581
174 HB3 PHE 23 2HB PHE 23 -3.201 -5.282 -0.622
175 HD1 PHE 23 HD2 PHE 23 -4.040 -4.359 -4.187
176 HD2 PHE 23 HD1 PHE 23 -0.994 -4.657 -1.192
177 HE1 PHE 23 HE2 PHE 23 -2.440 -3.240 -5.689
178 HE2 PHE 23 HE1 PHE 23 0.597 -3.540 -2.704
179 HZ PHE 23 HZ PHE 23 -0.125 -2.825 -4.951
180 H ALA 24 H ALA 24 -6.401 -5.885 -2.034
181 HA ALA 24 HA ALA 24 -6.966 -6.507 -4.878
182 HB1 ALA 24 3HB ALA 24 -8.892 -5.814 -2.615
183 HB2 ALA 24 1HB ALA 24 -8.607 -7.429 -3.269
184 HB3 ALA 24 2HB ALA 24 -9.352 -6.187 -4.278
185 H ALA 25 H ALA 25 -8.282 -4.732 -6.021
186 HA ALA 25 HA ALA 25 -7.128 -2.113 -5.728
187 HB1 ALA 25 3HB ALA 25 -7.880 -2.912 -7.935
188 HB2 ALA 25 1HB ALA 25 -8.728 -1.428 -7.498
189 HB3 ALA 25 2HB ALA 25 -9.546 -2.988 -7.362
190 H GLY 26 H GLY 26 -8.101 -0.227 -4.956
191 HA2 GLY 26 1HA GLY 26 -9.723 1.122 -3.966
192 HA3 GLY 26 2HA GLY 26 -10.740 -0.278 -3.680
193 H GLU 27 H GLU 27 -7.908 -1.336 -2.585
194 HA GLU 27 HA GLU 27 -8.599 -0.962 0.187
195 HB2 GLU 27 1HB GLU 27 -6.169 -2.307 -1.089
196 HB3 GLU 27 2HB GLU 27 -6.606 -2.402 0.616
197 HG2 GLU 27 1HG GLU 27 -8.274 -3.463 -1.689
198 HG3 GLU 27 2HG GLU 27 -7.229 -4.428 -0.650
199 H LEU 28 H LEU 28 -7.730 0.414 1.637
200 HA LEU 28 HA LEU 28 -5.589 2.266 0.817
201 HB2 LEU 28 1HB LEU 28 -7.540 2.366 3.163
202 HB3 LEU 28 2HB LEU 28 -6.200 3.480 2.963
203 HG LEU 28 HG LEU 28 -7.245 4.227 0.779
204 HD11 LEU 28 1HD1 LEU 28 -9.623 3.814 0.383
205 HD12 LEU 28 2HD1 LEU 28 -9.660 2.666 1.724
206 HD13 LEU 28 3HD1 LEU 28 -8.686 2.323 0.293
207 HD21 LEU 28 3HD2 LEU 28 -8.903 5.685 1.862
208 HD22 LEU 28 1HD2 LEU 28 -7.418 5.563 2.805
209 HD23 LEU 28 2HD2 LEU 28 -8.857 4.670 3.305
210 H ILE 29 H ILE 29 -3.574 1.590 1.327
211 HA ILE 29 HA ILE 29 -3.081 0.083 3.829
212 HB ILE 29 HB ILE 29 -1.205 0.468 1.431
213 HG12 ILE 29 1HG1 ILE 29 -1.376 -2.094 1.284
214 HG13 ILE 29 2HG1 ILE 29 -2.704 -1.998 2.429
215 HG21 ILE 29 1HG2 ILE 29 0.092 0.422 3.513
216 HG22 ILE 29 2HG2 ILE 29 0.347 -1.080 2.623
217 HG23 ILE 29 3HG2 ILE 29 -0.727 -1.057 4.024
218 HD11 ILE 29 3HD1 ILE 29 -3.999 -0.719 0.803
219 HD12 ILE 29 1HD1 ILE 29 -3.484 -2.280 0.167
220 HD13 ILE 29 2HD1 ILE 29 -2.653 -0.807 -0.336
221 H THR 30 H THR 30 -2.292 1.182 5.500
222 HA THR 30 HA THR 30 -1.558 3.950 5.391
223 HB THR 30 HB THR 30 -1.426 1.943 7.691
224 HG1 THR 30 HG1 THR 30 -3.434 2.748 8.231
225 HG21 THR 30 3HG2 THR 30 0.027 3.886 8.168
226 HG22 THR 30 1HG2 THR 30 -1.409 3.914 9.195
227 HG23 THR 30 2HG2 THR 30 -1.300 4.987 7.796
228 H LEU 31 H LEU 31 0.406 4.747 5.034
229 HA LEU 31 HA LEU 31 2.787 3.158 4.867
230 HB2 LEU 31 1HB LEU 31 2.410 6.182 4.749
231 HB3 LEU 31 2HB LEU 31 3.940 5.362 4.486
232 HG LEU 31 HG LEU 31 2.836 4.171 2.511
233 HD11 LEU 31 1HD1 LEU 31 0.856 5.200 1.511
234 HD12 LEU 31 2HD1 LEU 31 0.690 6.267 2.905
235 HD13 LEU 31 3HD1 LEU 31 0.494 4.523 3.098
236 HD21 LEU 31 3HD2 LEU 31 4.419 6.021 2.193
237 HD22 LEU 31 1HD2 LEU 31 3.101 7.189 2.329
238 HD23 LEU 31 2HD2 LEU 31 3.147 6.057 0.974
239 H LEU 32 H LEU 32 4.461 3.032 6.293
240 HA LEU 32 HA LEU 32 3.995 3.808 9.052
241 HB2 LEU 32 1HB LEU 32 6.322 2.349 7.746
242 HB3 LEU 32 2HB LEU 32 6.124 2.574 9.480
243 HG LEU 32 HG LEU 32 4.335 0.919 7.648
244 HD11 LEU 32 1HD1 LEU 32 6.177 0.039 9.891
245 HD12 LEU 32 2HD1 LEU 32 6.453 -0.178 8.160
246 HD13 LEU 32 3HD1 LEU 32 5.109 -1.003 8.943
247 HD21 LEU 32 3HD2 LEU 32 3.074 0.277 9.665
248 HD22 LEU 32 1HD2 LEU 32 2.948 2.004 9.335
249 HD23 LEU 32 2HD2 LEU 32 4.010 1.430 10.623
250 H GLN 33 H GLN 33 6.398 4.484 6.504
251 HA GLN 33 HA GLN 33 6.816 7.195 7.513
252 HB2 GLN 33 1HB GLN 33 9.119 5.228 7.099
253 HB3 GLN 33 2HB GLN 33 9.332 6.967 7.288
254 HG2 GLN 33 1HG GLN 33 8.409 6.837 9.565
255 HG3 GLN 33 2HG GLN 33 8.155 5.104 9.371
256 HE21 GLN 33 2HE2 GLN 33 9.451 4.619 11.134
257 HE22 GLN 33 1HE2 GLN 33 11.171 4.775 11.109
258 H VAL 34 H VAL 34 7.735 8.606 5.883
259 HA VAL 34 HA VAL 34 7.673 7.556 3.110
260 HB VAL 34 HB VAL 34 7.149 9.938 2.376
261 HG11 VAL 34 1HG1 VAL 34 4.732 9.811 2.899
262 HG12 VAL 34 2HG1 VAL 34 5.068 8.603 4.143
263 HG13 VAL 34 3HG1 VAL 34 5.391 8.235 2.448
264 HG21 VAL 34 3HG2 VAL 34 7.849 11.190 4.382
265 HG22 VAL 34 1HG2 VAL 34 6.572 10.422 5.328
266 HG23 VAL 34 2HG2 VAL 34 6.155 11.522 4.010
267 HA PRO 35 HA PRO 35 12.099 8.821 3.761
268 HB2 PRO 35 1HB PRO 35 13.247 6.799 2.331
269 HB3 PRO 35 2HB PRO 35 12.705 6.576 4.001
270 HG2 PRO 35 1HG PRO 35 11.307 5.823 1.438
271 HG3 PRO 35 2HG PRO 35 11.494 4.870 2.926
272 HD2 PRO 35 1HD PRO 35 9.208 6.261 2.335
273 HD3 PRO 35 2HD PRO 35 9.748 5.975 4.004
274 H ASP 36 H ASP 36 11.427 10.670 2.521
275 HA ASP 36 HA ASP 36 11.408 12.161 0.845
276 HB2 ASP 36 1HB ASP 36 13.522 10.339 -0.371
277 HB3 ASP 36 2HB ASP 36 13.132 11.939 -0.986
278 H GLY 37 H GLY 37 12.012 9.448 -1.373
279 HA2 GLY 37 1HA GLY 37 9.303 9.225 -2.288
280 HA3 GLY 37 2HA GLY 37 10.273 10.233 -3.359
281 H GLY 38 H GLY 38 9.593 8.433 -4.850
282 HA2 GLY 38 1HA GLY 38 10.402 6.784 -6.262
283 HA3 GLY 38 2HA GLY 38 11.782 6.554 -5.203
284 H TRP 39 H TRP 39 11.311 5.447 -3.106
285 HA TRP 39 HA TRP 39 9.016 3.567 -3.192
286 HB2 TRP 39 1HB TRP 39 11.881 3.071 -2.278
287 HB3 TRP 39 2HB TRP 39 10.551 2.028 -1.791
288 HD1 TRP 39 HD1 TRP 39 12.371 3.134 -5.063
289 HE1 TRP 39 HE1 TRP 39 12.180 1.210 -6.756
290 HE3 TRP 39 HE3 TRP 39 9.359 -0.025 -2.380
291 HZ2 TRP 39 HZ2 TRP 39 10.941 -1.316 -6.939
292 HZ3 TRP 39 HZ3 TRP 39 8.725 -2.183 -3.384
293 HH2 TRP 39 HH2 TRP 39 9.500 -2.816 -5.621
294 H TRP 40 H TRP 40 7.793 3.565 -1.385
295 HA TRP 40 HA TRP 40 8.797 4.799 1.111
296 HB2 TRP 40 1HB TRP 40 5.901 4.799 0.140
297 HB3 TRP 40 2HB TRP 40 6.528 5.601 1.576
298 HD1 TRP 40 HD1 TRP 40 7.854 7.941 1.182
299 HE1 TRP 40 HE1 TRP 40 7.803 9.626 -0.756
300 HE3 TRP 40 HE3 TRP 40 5.785 4.968 -2.444
301 HZ2 TRP 40 HZ2 TRP 40 7.013 9.693 -3.461
302 HZ3 TRP 40 HZ3 TRP 40 5.425 5.917 -4.682
303 HH2 TRP 40 HH2 TRP 40 6.029 8.235 -5.183
304 H GLU 41 H GLU 41 7.768 3.789 3.057
305 HA GLU 41 HA GLU 41 7.108 0.931 2.582
306 HB2 GLU 41 1HB GLU 41 8.427 2.217 5.022
307 HB3 GLU 41 2HB GLU 41 7.860 0.552 4.977
308 HG2 GLU 41 1HG GLU 41 10.168 0.409 4.622
309 HG3 GLU 41 2HG GLU 41 9.452 0.177 3.033
310 H GLY 42 H GLY 42 5.498 -0.017 3.731
311 HA2 GLY 42 1HA GLY 42 3.778 1.449 5.580
312 HA3 GLY 42 2HA GLY 42 3.062 0.945 4.049
313 H GLU 43 H GLU 43 1.883 -0.017 6.182
314 HA GLU 43 HA GLU 43 2.546 -2.877 6.088
315 HB2 GLU 43 1HB GLU 43 3.510 -1.942 8.197
316 HB3 GLU 43 2HB GLU 43 1.914 -1.364 8.664
317 HG2 GLU 43 1HG GLU 43 1.098 -3.691 8.758
318 HG3 GLU 43 2HG GLU 43 2.685 -4.272 8.256
319 H LYS 44 H LYS 44 0.809 -4.190 6.217
320 HA LYS 44 HA LYS 44 -1.825 -2.968 5.757
321 HB2 LYS 44 1HB LYS 44 -0.822 -4.387 3.972
322 HB3 LYS 44 2HB LYS 44 -0.775 -5.749 5.078
323 HG2 LYS 44 1HG LYS 44 -2.628 -5.927 3.492
324 HG3 LYS 44 2HG LYS 44 -3.220 -5.810 5.154
325 HD2 LYS 44 1HD LYS 44 -3.763 -3.424 4.798
326 HD3 LYS 44 2HD LYS 44 -3.121 -3.511 3.155
327 HE2 LYS 44 1HE LYS 44 -5.593 -3.637 3.184
328 HE3 LYS 44 2HE LYS 44 -4.876 -5.107 2.527
329 HZ1 LYS 44 3HZ LYS 44 -6.683 -5.584 4.062
330 HZ2 LYS 44 1HZ LYS 44 -5.881 -4.785 5.311
331 HZ3 LYS 44 2HZ LYS 44 -5.228 -6.202 4.651
332 H GLU 45 H GLU 45 -3.676 -3.942 6.654
333 HA GLU 45 HA GLU 45 -3.838 -4.377 9.370
334 HB2 GLU 45 1HB GLU 45 -5.713 -5.460 7.239
335 HB3 GLU 45 2HB GLU 45 -6.135 -5.128 8.918
336 HG2 GLU 45 1HG GLU 45 -5.897 -2.743 8.563
337 HG3 GLU 45 2HG GLU 45 -5.256 -3.003 6.937
338 H ASP 46 H ASP 46 -3.133 -6.714 6.866
339 HA ASP 46 HA ASP 46 -3.810 -9.146 8.150
340 HB2 ASP 46 1HB ASP 46 -1.825 -8.532 5.922
341 HB3 ASP 46 2HB ASP 46 -2.235 -10.168 6.429
342 H GLY 47 H GLY 47 -1.281 -6.970 8.853
343 HA2 GLY 47 1HA GLY 47 0.410 -7.189 10.460
344 HA3 GLY 47 2HA GLY 47 0.203 -8.933 10.453
345 H LEU 48 H LEU 48 0.255 -8.066 7.300
346 HA LEU 48 HA LEU 48 3.042 -8.789 6.884
347 HB2 LEU 48 1HB LEU 48 0.842 -8.104 4.883
348 HB3 LEU 48 2HB LEU 48 2.432 -8.734 4.476
349 HG LEU 48 HG LEU 48 0.246 -10.216 5.992
350 HD11 LEU 48 1HD1 LEU 48 1.343 -10.665 3.199
351 HD12 LEU 48 2HD1 LEU 48 -0.241 -10.004 3.614
352 HD13 LEU 48 3HD1 LEU 48 0.148 -11.673 4.023
353 HD21 LEU 48 3HD2 LEU 48 2.421 -10.892 6.860
354 HD22 LEU 48 1HD2 LEU 48 3.018 -11.194 5.226
355 HD23 LEU 48 2HD2 LEU 48 1.722 -12.191 5.897
356 H ARG 49 H ARG 49 4.589 -7.316 6.651
357 HA ARG 49 HA ARG 49 3.935 -4.468 6.196
358 HB2 ARG 49 1HB ARG 49 5.163 -5.050 8.314
359 HB3 ARG 49 2HB ARG 49 6.469 -5.733 7.350
360 HG2 ARG 49 1HG ARG 49 6.794 -3.444 6.320
361 HG3 ARG 49 2HG ARG 49 5.615 -2.819 7.479
362 HD2 ARG 49 1HD ARG 49 7.915 -2.435 8.262
363 HD3 ARG 49 2HD ARG 49 7.063 -3.543 9.338
364 HE ARG 49 HE ARG 49 8.330 -5.353 8.459
365 HH11 ARG 49 1HH1 ARG 49 9.501 -2.216 7.365
366 HH12 ARG 49 2HH1 ARG 49 11.036 -2.836 6.859
367 HH21 ARG 49 1HH2 ARG 49 10.333 -6.152 7.759
368 HH22 ARG 49 2HH2 ARG 49 11.503 -5.077 7.064
369 H GLY 50 H GLY 50 4.851 -3.454 4.480
370 HA2 GLY 50 1HA GLY 50 6.906 -3.762 2.851
371 HA3 GLY 50 2HA GLY 50 5.893 -5.102 2.302
372 H TRP 51 H TRP 51 6.594 -2.826 0.721
373 HA TRP 51 HA TRP 51 3.976 -1.868 0.021
374 HB2 TRP 51 1HB TRP 51 5.208 -0.345 1.945
375 HB3 TRP 51 2HB TRP 51 5.837 0.441 0.504
376 HD1 TRP 51 HD1 TRP 51 2.359 -0.686 1.833
377 HE1 TRP 51 HE1 TRP 51 0.646 1.121 1.215
378 HE3 TRP 51 HE3 TRP 51 5.411 2.514 -0.712
379 HZ2 TRP 51 HZ2 TRP 51 0.577 3.540 -0.152
380 HZ3 TRP 51 HZ3 TRP 51 4.425 4.559 -1.638
381 HH2 TRP 51 HH2 TRP 51 2.062 5.070 -1.372
382 H PHE 52 H PHE 52 4.313 -0.040 -1.724
383 HA PHE 52 HA PHE 52 6.199 -1.004 -3.766
384 HB2 PHE 52 1HB PHE 52 3.148 -1.112 -4.029
385 HB3 PHE 52 2HB PHE 52 4.245 -1.257 -5.394
386 HD1 PHE 52 HD1 PHE 52 5.828 -3.231 -5.520
387 HD2 PHE 52 HD2 PHE 52 2.677 -3.013 -2.637
388 HE1 PHE 52 HE1 PHE 52 6.003 -5.656 -5.135
389 HE2 PHE 52 HE2 PHE 52 2.867 -5.426 -2.262
390 HZ PHE 52 HZ PHE 52 4.520 -6.755 -3.503
391 HA PRO 53 HA PRO 53 6.327 3.303 -4.922
392 HB2 PRO 53 1HB PRO 53 6.580 3.192 -7.678
393 HB3 PRO 53 2HB PRO 53 7.899 2.829 -6.559
394 HG2 PRO 53 1HG PRO 53 6.008 0.919 -7.939
395 HG3 PRO 53 2HG PRO 53 7.779 0.828 -7.801
396 HD2 PRO 53 1HD PRO 53 6.224 -0.623 -6.175
397 HD3 PRO 53 2HD PRO 53 7.695 0.153 -5.541
398 H ALA 54 H ALA 54 5.323 4.952 -6.373
399 HA ALA 54 HA ALA 54 2.554 5.119 -6.053
400 HB1 ALA 54 3HB ALA 54 4.048 7.085 -6.200
401 HB2 ALA 54 1HB ALA 54 2.695 7.221 -7.326
402 HB3 ALA 54 2HB ALA 54 4.297 6.769 -7.917
403 H SER 55 H SER 55 4.289 3.563 -8.570
404 HA SER 55 HA SER 55 2.518 3.671 -10.742
405 HB2 SER 55 1HB SER 55 4.836 2.798 -10.875
406 HB3 SER 55 2HB SER 55 4.364 1.396 -9.914
407 HG SER 55 HG SER 55 3.308 2.111 -12.455
408 H TYR 56 H TYR 56 2.453 1.698 -7.827
409 HA TYR 56 HA TYR 56 0.240 0.017 -8.774
410 HB2 TYR 56 1HB TYR 56 1.911 -0.008 -6.226
411 HB3 TYR 56 2HB TYR 56 0.545 -1.086 -6.488
412 HD1 TYR 56 HD2 TYR 56 3.994 -0.275 -7.609
413 HD2 TYR 56 HD1 TYR 56 0.726 -3.015 -7.943
414 HE1 TYR 56 HE2 TYR 56 5.459 -1.891 -8.749
415 HE2 TYR 56 HE1 TYR 56 2.188 -4.625 -9.080
416 HH TYR 56 HH TYR 56 5.533 -4.386 -9.092
417 H VAL 57 H VAL 57 0.830 2.762 -6.667
418 HA VAL 57 HA VAL 57 -1.945 2.730 -5.653
419 HB VAL 57 HB VAL 57 -1.020 3.272 -3.321
420 HG11 VAL 57 1HG1 VAL 57 -0.393 0.487 -4.374
421 HG12 VAL 57 2HG1 VAL 57 -1.962 1.046 -3.795
422 HG13 VAL 57 3HG1 VAL 57 -0.605 0.925 -2.677
423 HG21 VAL 57 3HG2 VAL 57 1.303 2.525 -2.803
424 HG22 VAL 57 1HG2 VAL 57 1.284 3.871 -3.947
425 HG23 VAL 57 2HG2 VAL 57 1.581 2.228 -4.520
426 H GLN 58 H GLN 58 -2.818 4.760 -5.427
427 HA GLN 58 HA GLN 58 -1.132 7.113 -5.941
428 HB2 GLN 58 1HB GLN 58 -4.117 6.624 -6.117
429 HB3 GLN 58 2HB GLN 58 -3.497 8.269 -6.023
430 HG2 GLN 58 1HG GLN 58 -2.813 6.235 -8.162
431 HG3 GLN 58 2HG GLN 58 -3.910 7.602 -8.331
432 HE21 GLN 58 2HE2 GLN 58 -3.041 9.719 -8.404
433 HE22 GLN 58 1HE2 GLN 58 -1.381 9.994 -8.786
434 H LEU 59 H LEU 59 -0.679 8.572 -4.469
435 HA LEU 59 HA LEU 59 -1.135 7.909 -1.695
436 HB2 LEU 59 1HB LEU 59 0.514 10.163 -2.925
437 HB3 LEU 59 2HB LEU 59 0.475 9.748 -1.222
438 HG LEU 59 HG LEU 59 1.322 7.387 -2.025
439 HD11 LEU 59 1HD1 LEU 59 2.203 9.025 -4.408
440 HD12 LEU 59 2HD1 LEU 59 1.036 7.698 -4.420
441 HD13 LEU 59 3HD1 LEU 59 2.722 7.381 -4.019
442 HD21 LEU 59 3HD2 LEU 59 3.185 9.777 -2.007
443 HD22 LEU 59 1HD2 LEU 59 3.668 8.086 -1.818
444 HD23 LEU 59 2HD2 LEU 59 2.644 8.848 -0.605
445 H LEU 60 H LEU 60 -2.710 8.665 -0.512
446 HA LEU 60 HA LEU 60 -4.460 10.791 -1.463
447 HB2 LEU 60 1HB LEU 60 -4.713 8.940 0.948
448 HB3 LEU 60 2HB LEU 60 -5.957 10.038 0.368
449 HG LEU 60 HG LEU 60 -4.894 7.603 -1.126
450 HD11 LEU 60 1HD1 LEU 60 -7.119 6.633 -0.756
451 HD12 LEU 60 2HD1 LEU 60 -7.587 8.035 0.211
452 HD13 LEU 60 3HD1 LEU 60 -6.298 6.965 0.769
453 HD21 LEU 60 3HD2 LEU 60 -6.686 8.033 -2.766
454 HD22 LEU 60 1HD2 LEU 60 -5.521 9.356 -2.708
455 HD23 LEU 60 2HD2 LEU 60 -7.095 9.535 -1.932
Start of MODEL 7
1 H1 MET 1 1H MET 1 -2.003 5.423 12.030
2 H2 MET 1 2H MET 1 -2.497 4.597 13.419
3 H3 MET 1 3H MET 1 -1.740 6.098 13.556
4 HA MET 1 HA MET 1 -4.368 5.604 12.292
5 HB2 MET 1 1HB MET 1 -4.282 5.342 14.820
6 HB3 MET 1 2HB MET 1 -3.746 7.011 14.936
7 HG2 MET 1 1HG MET 1 -6.409 6.146 13.765
8 HG3 MET 1 2HG MET 1 -6.165 6.678 15.427
9 HE1 MET 1 3HE MET 1 -8.365 7.986 13.512
10 HE2 MET 1 1HE MET 1 -8.116 9.705 13.820
11 HE3 MET 1 2HE MET 1 -8.084 8.554 15.156
12 H SER 2 H SER 2 -4.517 6.980 10.645
13 HA SER 2 HA SER 2 -4.594 8.804 9.351
14 HB2 SER 2 1HB SER 2 -5.634 9.905 11.361
15 HB3 SER 2 2HB SER 2 -4.036 10.472 11.841
16 HG SER 2 HG SER 2 -5.482 11.135 9.491
17 H GLY 3 H GLY 3 -3.257 10.742 8.541
18 HA2 GLY 3 1HA GLY 3 -1.054 11.769 8.368
19 HA3 GLY 3 2HA GLY 3 -0.335 10.223 8.811
20 H ALA 4 H ALA 4 0.908 9.948 6.974
21 HA ALA 4 HA ALA 4 -0.038 10.324 4.305
22 HB1 ALA 4 3HB ALA 4 2.380 8.783 5.309
23 HB2 ALA 4 1HB ALA 4 2.346 10.493 4.872
24 HB3 ALA 4 2HB ALA 4 2.088 9.261 3.634
25 H ARG 5 H ARG 5 -1.668 9.121 3.583
26 HA ARG 5 HA ARG 5 -1.521 6.178 3.646
27 HB2 ARG 5 1HB ARG 5 -3.112 7.052 5.444
28 HB3 ARG 5 2HB ARG 5 -4.086 7.772 4.166
29 HG2 ARG 5 1HG ARG 5 -4.598 5.553 3.255
30 HG3 ARG 5 2HG ARG 5 -3.510 4.797 4.422
31 HD2 ARG 5 1HD ARG 5 -5.003 5.773 6.256
32 HD3 ARG 5 2HD ARG 5 -6.143 6.193 4.970
33 HE ARG 5 HE ARG 5 -5.377 3.428 4.920
34 HH11 ARG 5 1HH1 ARG 5 -7.603 5.666 6.484
35 HH12 ARG 5 2HH1 ARG 5 -8.730 4.416 6.911
36 HH21 ARG 5 1HH2 ARG 5 -6.864 1.832 5.445
37 HH22 ARG 5 2HH2 ARG 5 -8.315 2.245 6.302
38 H CYS 6 H CYS 6 -2.173 5.253 1.734
39 HA CYS 6 HA CYS 6 -3.142 6.977 -0.477
40 HB2 CYS 6 1HB CYS 6 -0.971 4.836 -0.718
41 HB3 CYS 6 2HB CYS 6 -1.555 5.899 -2.002
42 HG CYS 6 HG CYS 6 -0.660 8.019 0.126
43 H ARG 7 H ARG 7 -4.355 5.803 -2.092
44 HA ARG 7 HA ARG 7 -5.540 3.274 -1.129
45 HB2 ARG 7 1HB ARG 7 -6.960 5.410 -1.636
46 HB3 ARG 7 2HB ARG 7 -6.672 5.035 -3.328
47 HG2 ARG 7 1HG ARG 7 -7.600 2.600 -2.291
48 HG3 ARG 7 2HG ARG 7 -8.534 3.793 -1.394
49 HD2 ARG 7 1HD ARG 7 -9.831 3.228 -3.307
50 HD3 ARG 7 2HD ARG 7 -9.149 4.823 -3.644
51 HE ARG 7 HE ARG 7 -7.385 2.915 -4.671
52 HH11 ARG 7 1HH1 ARG 7 -10.626 4.080 -5.360
53 HH12 ARG 7 2HH1 ARG 7 -10.580 3.559 -7.014
54 HH21 ARG 7 1HH2 ARG 7 -7.348 2.242 -6.817
55 HH22 ARG 7 2HH2 ARG 7 -8.730 2.507 -7.827
56 H THR 8 H THR 8 -5.170 1.452 -2.258
57 HA THR 8 HA THR 8 -3.268 1.346 -4.369
58 HB THR 8 HB THR 8 -3.845 -1.135 -4.361
59 HG1 THR 8 HG1 THR 8 -5.285 -1.804 -2.690
60 HG21 THR 8 3HG2 THR 8 -2.976 -1.580 -2.095
61 HG22 THR 8 1HG2 THR 8 -3.302 0.095 -1.626
62 HG23 THR 8 2HG2 THR 8 -2.082 -0.264 -2.853
63 H LEU 9 H LEU 9 -3.531 0.946 -6.531
64 HA LEU 9 HA LEU 9 -6.000 1.736 -7.770
65 HB2 LEU 9 1HB LEU 9 -3.421 0.655 -8.981
66 HB3 LEU 9 2HB LEU 9 -4.748 1.361 -9.899
67 HG LEU 9 HG LEU 9 -2.999 2.827 -7.873
68 HD11 LEU 9 1HD1 LEU 9 -1.797 2.363 -9.945
69 HD12 LEU 9 2HD1 LEU 9 -2.132 4.086 -9.792
70 HD13 LEU 9 3HD1 LEU 9 -3.093 3.097 -10.896
71 HD21 LEU 9 3HD2 LEU 9 -4.188 4.876 -8.595
72 HD22 LEU 9 1HD2 LEU 9 -5.247 3.731 -7.778
73 HD23 LEU 9 2HD2 LEU 9 -5.308 3.889 -9.534
74 H TYR 10 H TYR 10 -4.023 -1.226 -8.281
75 HA TYR 10 HA TYR 10 -6.392 -2.959 -8.136
76 HB2 TYR 10 1HB TYR 10 -4.550 -2.815 -10.589
77 HB3 TYR 10 2HB TYR 10 -5.704 -4.110 -10.301
78 HD1 TYR 10 HD1 TYR 10 -8.230 -3.221 -9.816
79 HD2 TYR 10 HD2 TYR 10 -5.265 -1.087 -12.047
80 HE1 TYR 10 HE1 TYR 10 -9.999 -1.928 -10.933
81 HE2 TYR 10 HE2 TYR 10 -7.043 0.200 -13.161
82 HH TYR 10 HH TYR 10 -9.454 -0.039 -13.682
83 HA PRO 11 HA PRO 11 -3.278 -5.751 -6.330
84 HB2 PRO 11 1HB PRO 11 -4.693 -8.138 -7.397
85 HB3 PRO 11 2HB PRO 11 -4.499 -7.615 -5.720
86 HG2 PRO 11 1HG PRO 11 -6.892 -7.505 -6.988
87 HG3 PRO 11 2HG PRO 11 -6.421 -6.314 -5.757
88 HD2 PRO 11 1HD PRO 11 -6.332 -6.050 -8.772
89 HD3 PRO 11 2HD PRO 11 -6.920 -4.896 -7.554
90 H PHE 12 H PHE 12 -1.665 -7.373 -6.965
91 HA PHE 12 HA PHE 12 -0.829 -7.023 -9.765
92 HB2 PHE 12 1HB PHE 12 1.391 -7.961 -8.943
93 HB3 PHE 12 2HB PHE 12 0.908 -6.429 -8.234
94 HD1 PHE 12 HD2 PHE 12 0.193 -6.306 -5.858
95 HD2 PHE 12 HD1 PHE 12 1.612 -9.970 -7.555
96 HE1 PHE 12 HE2 PHE 12 0.509 -7.234 -3.605
97 HE2 PHE 12 HE1 PHE 12 1.926 -10.887 -5.293
98 HZ PHE 12 HZ PHE 12 1.377 -9.520 -3.316
99 H SER 13 H SER 13 0.016 -8.823 -10.993
100 HA SER 13 HA SER 13 -1.859 -10.897 -11.228
101 HB2 SER 13 1HB SER 13 0.942 -10.747 -12.408
102 HB3 SER 13 2HB SER 13 -0.371 -11.788 -12.984
103 HG SER 13 HG SER 13 -1.511 -9.965 -13.591
104 H GLY 14 H GLY 14 1.262 -10.809 -9.567
105 HA2 GLY 14 1HA GLY 14 1.372 -12.175 -7.530
106 HA3 GLY 14 2HA GLY 14 0.735 -13.527 -8.454
107 H GLU 15 H GLU 15 2.334 -13.061 -10.817
108 HA GLU 15 HA GLU 15 4.639 -14.568 -10.153
109 HB2 GLU 15 1HB GLU 15 3.555 -14.709 -12.373
110 HB3 GLU 15 2HB GLU 15 3.995 -13.036 -12.709
111 HG2 GLU 15 1HG GLU 15 6.405 -13.670 -12.644
112 HG3 GLU 15 2HG GLU 15 5.942 -15.343 -12.336
113 H ARG 16 H ARG 16 5.908 -13.501 -8.669
114 HA ARG 16 HA ARG 16 7.868 -11.747 -9.805
115 HB2 ARG 16 1HB ARG 16 6.050 -10.133 -8.946
116 HB3 ARG 16 2HB ARG 16 6.440 -10.669 -7.316
117 HG2 ARG 16 1HG ARG 16 7.629 -8.594 -7.764
118 HG3 ARG 16 2HG ARG 16 8.806 -9.909 -7.668
119 HD2 ARG 16 1HD ARG 16 8.561 -10.037 -10.261
120 HD3 ARG 16 2HD ARG 16 7.819 -8.438 -10.125
121 HE ARG 16 HE ARG 16 10.124 -8.082 -8.792
122 HH11 ARG 16 1HH1 ARG 16 9.527 -9.568 -11.925
123 HH12 ARG 16 2HH1 ARG 16 11.080 -9.132 -12.564
124 HH21 ARG 16 1HH2 ARG 16 12.173 -7.552 -9.633
125 HH22 ARG 16 2HH2 ARG 16 12.581 -7.992 -11.261
126 H HIS 17 H HIS 17 9.667 -12.693 -9.183
127 HA HIS 17 HA HIS 17 9.959 -14.336 -6.847
128 HB2 HIS 17 1HB HIS 17 12.394 -14.453 -7.615
129 HB3 HIS 17 2HB HIS 17 11.204 -15.002 -8.786
130 HD2 HIS 17 HD2 HIS 17 14.166 -12.661 -8.621
131 HE1 HIS 17 HE1 HIS 17 11.896 -11.460 -11.978
132 HE2 HIS 17 HE2 HIS 17 14.155 -11.351 -10.848
133 H GLY 18 H GLY 18 9.449 -12.988 -5.155
134 HA2 GLY 18 1HA GLY 18 11.415 -11.811 -3.653
135 HA3 GLY 18 2HA GLY 18 10.744 -10.480 -4.593
136 H GLN 19 H GLN 19 10.646 -10.678 -1.766
137 HA GLN 19 HA GLN 19 8.025 -11.571 -0.907
138 HB2 GLN 19 1HB GLN 19 10.351 -11.434 0.426
139 HB3 GLN 19 2HB GLN 19 9.807 -9.806 0.804
140 HG2 GLN 19 1HG GLN 19 8.384 -12.411 1.502
141 HG3 GLN 19 2HG GLN 19 9.294 -11.384 2.607
142 HE21 GLN 19 2HE2 GLN 19 6.294 -11.832 0.925
143 HE22 GLN 19 1HE2 GLN 19 5.408 -10.579 1.722
144 H GLY 20 H GLY 20 6.212 -10.323 -0.795
145 HA2 GLY 20 1HA GLY 20 6.370 -7.378 -0.876
146 HA3 GLY 20 2HA GLY 20 5.500 -8.200 -2.169
147 H LEU 21 H LEU 21 4.062 -6.448 -0.787
148 HA LEU 21 HA LEU 21 2.648 -7.720 1.449
149 HB2 LEU 21 1HB LEU 21 3.242 -5.347 1.659
150 HB3 LEU 21 2HB LEU 21 2.413 -4.968 0.161
151 HG LEU 21 HG LEU 21 0.230 -5.513 1.232
152 HD11 LEU 21 1HD1 LEU 21 0.943 -7.182 2.845
153 HD12 LEU 21 2HD1 LEU 21 0.097 -5.874 3.664
154 HD13 LEU 21 3HD1 LEU 21 1.857 -5.968 3.748
155 HD21 LEU 21 3HD2 LEU 21 0.092 -3.547 2.698
156 HD22 LEU 21 1HD2 LEU 21 1.039 -3.187 1.254
157 HD23 LEU 21 2HD2 LEU 21 1.855 -3.473 2.795
158 H ARG 22 H ARG 22 0.665 -8.585 1.273
159 HA ARG 22 HA ARG 22 -0.693 -8.756 -1.302
160 HB2 ARG 22 1HB ARG 22 -1.249 -10.023 1.409
161 HB3 ARG 22 2HB ARG 22 -2.287 -10.256 0.002
162 HG2 ARG 22 1HG ARG 22 -0.326 -11.249 -1.213
163 HG3 ARG 22 2HG ARG 22 0.613 -11.116 0.277
164 HD2 ARG 22 1HD ARG 22 -0.323 -13.400 -0.057
165 HD3 ARG 22 2HD ARG 22 -0.929 -12.645 1.423
166 HE ARG 22 HE ARG 22 -2.811 -12.010 -0.449
167 HH11 ARG 22 1HH1 ARG 22 -1.460 -15.077 0.571
168 HH12 ARG 22 2HH1 ARG 22 -2.923 -15.954 0.256
169 HH21 ARG 22 1HH2 ARG 22 -4.722 -13.165 -0.833
170 HH22 ARG 22 2HH2 ARG 22 -4.764 -14.877 -0.549
171 H PHE 23 H PHE 23 -2.549 -7.759 -1.804
172 HA PHE 23 HA PHE 23 -4.329 -6.502 0.073
173 HB2 PHE 23 1HB PHE 23 -4.091 -4.176 -0.883
174 HB3 PHE 23 2HB PHE 23 -2.687 -4.702 0.032
175 HD1 PHE 23 HD2 PHE 23 -3.966 -4.016 -3.401
176 HD2 PHE 23 HD1 PHE 23 -0.526 -4.959 -1.034
177 HE1 PHE 23 HE2 PHE 23 -2.499 -3.494 -5.308
178 HE2 PHE 23 HE1 PHE 23 0.921 -4.434 -2.948
179 HZ PHE 23 HZ PHE 23 -0.057 -3.703 -5.077
180 H ALA 24 H ALA 24 -6.006 -5.153 -1.239
181 HA ALA 24 HA ALA 24 -6.618 -6.408 -3.856
182 HB1 ALA 24 3HB ALA 24 -8.117 -7.291 -2.098
183 HB2 ALA 24 1HB ALA 24 -9.016 -6.299 -3.250
184 HB3 ALA 24 2HB ALA 24 -8.596 -5.649 -1.663
185 H ALA 25 H ALA 25 -8.151 -4.996 -5.174
186 HA ALA 25 HA ALA 25 -7.216 -2.323 -5.469
187 HB1 ALA 25 3HB ALA 25 -9.670 -3.673 -6.650
188 HB2 ALA 25 1HB ALA 25 -8.069 -3.587 -7.382
189 HB3 ALA 25 2HB ALA 25 -9.014 -2.117 -7.172
190 H GLY 26 H GLY 26 -7.887 -0.490 -4.497
191 HA2 GLY 26 1HA GLY 26 -9.502 1.056 -3.741
192 HA3 GLY 26 2HA GLY 26 -10.622 -0.251 -3.409
193 H GLU 27 H GLU 27 -7.665 -1.170 -2.180
194 HA GLU 27 HA GLU 27 -8.469 -0.675 0.550
195 HB2 GLU 27 1HB GLU 27 -6.008 -2.029 -0.638
196 HB3 GLU 27 2HB GLU 27 -6.297 -1.888 1.098
197 HG2 GLU 27 1HG GLU 27 -8.081 -3.352 -0.886
198 HG3 GLU 27 2HG GLU 27 -6.923 -4.101 0.217
199 H LEU 28 H LEU 28 -8.120 1.191 1.530
200 HA LEU 28 HA LEU 28 -6.012 3.026 0.811
201 HB2 LEU 28 1HB LEU 28 -7.892 3.047 3.218
202 HB3 LEU 28 2HB LEU 28 -6.756 4.321 2.817
203 HG LEU 28 HG LEU 28 -8.075 4.659 0.639
204 HD11 LEU 28 1HD1 LEU 28 -10.397 3.891 0.550
205 HD12 LEU 28 2HD1 LEU 28 -10.157 2.937 2.017
206 HD13 LEU 28 3HD1 LEU 28 -9.277 2.528 0.541
207 HD21 LEU 28 3HD2 LEU 28 -9.516 5.200 3.259
208 HD22 LEU 28 1HD2 LEU 28 -9.809 6.028 1.724
209 HD23 LEU 28 2HD2 LEU 28 -8.255 6.201 2.537
210 H ILE 29 H ILE 29 -4.034 2.153 1.161
211 HA ILE 29 HA ILE 29 -3.361 0.701 3.614
212 HB ILE 29 HB ILE 29 -1.674 1.257 1.122
213 HG12 ILE 29 1HG1 ILE 29 -3.587 -0.181 0.554
214 HG13 ILE 29 2HG1 ILE 29 -2.107 -1.131 0.528
215 HG21 ILE 29 1HG2 ILE 29 -0.157 -0.515 1.966
216 HG22 ILE 29 2HG2 ILE 29 -1.108 -0.626 3.447
217 HG23 ILE 29 3HG2 ILE 29 -0.239 0.861 3.066
218 HD11 ILE 29 3HD1 ILE 29 -3.918 -2.372 1.517
219 HD12 ILE 29 1HD1 ILE 29 -4.179 -1.113 2.721
220 HD13 ILE 29 2HD1 ILE 29 -2.682 -2.054 2.734
221 H THR 30 H THR 30 -2.579 1.801 5.291
222 HA THR 30 HA THR 30 -1.606 4.492 5.151
223 HB THR 30 HB THR 30 -1.445 2.519 7.487
224 HG1 THR 30 HG1 THR 30 -3.536 2.844 7.630
225 HG21 THR 30 3HG2 THR 30 -1.332 4.561 8.900
226 HG22 THR 30 1HG2 THR 30 -1.340 5.576 7.458
227 HG23 THR 30 2HG2 THR 30 0.032 4.512 7.782
228 H LEU 31 H LEU 31 0.395 5.104 4.695
229 HA LEU 31 HA LEU 31 2.592 3.299 4.327
230 HB2 LEU 31 1HB LEU 31 2.637 6.347 4.446
231 HB3 LEU 31 2HB LEU 31 3.882 5.304 3.766
232 HG LEU 31 HG LEU 31 1.072 5.709 2.648
233 HD11 LEU 31 1HD1 LEU 31 2.520 7.642 2.267
234 HD12 LEU 31 2HD1 LEU 31 2.179 6.806 0.755
235 HD13 LEU 31 3HD1 LEU 31 3.751 6.609 1.534
236 HD21 LEU 31 3HD2 LEU 31 1.772 3.399 2.246
237 HD22 LEU 31 1HD2 LEU 31 3.308 3.946 1.565
238 HD23 LEU 31 2HD2 LEU 31 1.792 4.304 0.736
239 H LEU 32 H LEU 32 4.101 2.752 5.782
240 HA LEU 32 HA LEU 32 3.678 3.218 8.570
241 HB2 LEU 32 1HB LEU 32 5.895 1.798 7.033
242 HB3 LEU 32 2HB LEU 32 5.700 1.722 8.782
243 HG LEU 32 HG LEU 32 3.577 0.743 6.823
244 HD11 LEU 32 1HD1 LEU 32 4.334 -1.541 7.305
245 HD12 LEU 32 2HD1 LEU 32 5.678 -0.910 8.258
246 HD13 LEU 32 3HD1 LEU 32 5.603 -0.597 6.522
247 HD21 LEU 32 3HD2 LEU 32 2.681 1.338 9.019
248 HD22 LEU 32 1HD2 LEU 32 3.893 0.335 9.823
249 HD23 LEU 32 2HD2 LEU 32 2.656 -0.407 8.811
250 H GLN 33 H GLN 33 6.379 3.812 6.361
251 HA GLN 33 HA GLN 33 7.029 6.374 7.654
252 HB2 GLN 33 1HB GLN 33 9.021 4.138 7.028
253 HB3 GLN 33 2HB GLN 33 9.522 5.806 7.283
254 HG2 GLN 33 1HG GLN 33 8.049 4.142 9.356
255 HG3 GLN 33 2HG GLN 33 9.807 4.275 9.262
256 HE21 GLN 33 2HE2 GLN 33 6.844 5.926 10.106
257 HE22 GLN 33 1HE2 GLN 33 7.583 7.284 10.879
258 H VAL 34 H VAL 34 7.765 7.896 6.149
259 HA VAL 34 HA VAL 34 7.502 7.166 3.300
260 HB VAL 34 HB VAL 34 6.934 9.603 2.908
261 HG11 VAL 34 1HG1 VAL 34 5.048 8.036 4.703
262 HG12 VAL 34 2HG1 VAL 34 5.205 7.868 2.953
263 HG13 VAL 34 3HG1 VAL 34 4.579 9.369 3.638
264 HG21 VAL 34 3HG2 VAL 34 6.641 9.735 5.943
265 HG22 VAL 34 1HG2 VAL 34 6.128 10.988 4.809
266 HG23 VAL 34 2HG2 VAL 34 7.840 10.605 4.987
267 HA PRO 35 HA PRO 35 11.934 8.361 3.211
268 HB2 PRO 35 1HB PRO 35 11.848 7.029 0.547
269 HB3 PRO 35 2HB PRO 35 12.860 6.652 1.948
270 HG2 PRO 35 1HG PRO 35 10.856 5.016 1.184
271 HG3 PRO 35 2HG PRO 35 11.258 5.248 2.900
272 HD2 PRO 35 1HD PRO 35 9.050 6.545 1.286
273 HD3 PRO 35 2HD PRO 35 8.973 5.782 2.893
274 H ASP 36 H ASP 36 13.180 9.556 1.471
275 HA ASP 36 HA ASP 36 11.561 11.699 0.344
276 HB2 ASP 36 1HB ASP 36 13.718 12.756 -0.236
277 HB3 ASP 36 2HB ASP 36 13.698 12.259 1.448
278 H GLY 37 H GLY 37 12.545 8.661 -0.753
279 HA2 GLY 37 1HA GLY 37 12.546 9.348 -3.614
280 HA3 GLY 37 2HA GLY 37 12.836 7.766 -2.905
281 H GLY 38 H GLY 38 11.314 7.455 -4.884
282 HA2 GLY 38 1HA GLY 38 8.444 7.767 -4.227
283 HA3 GLY 38 2HA GLY 38 9.125 7.426 -5.813
284 H TRP 39 H TRP 39 10.056 5.774 -2.863
285 HA TRP 39 HA TRP 39 8.558 3.329 -3.628
286 HB2 TRP 39 1HB TRP 39 11.399 3.510 -2.494
287 HB3 TRP 39 2HB TRP 39 10.490 2.012 -2.666
288 HD1 TRP 39 HD1 TRP 39 12.304 4.672 -4.798
289 HE1 TRP 39 HE1 TRP 39 12.796 3.659 -7.106
290 HE3 TRP 39 HE3 TRP 39 9.728 0.268 -4.340
291 HZ2 TRP 39 HZ2 TRP 39 12.189 1.324 -8.550
292 HZ3 TRP 39 HZ3 TRP 39 9.738 -1.308 -6.235
293 HH2 TRP 39 HH2 TRP 39 10.947 -0.790 -8.301
294 H TRP 40 H TRP 40 7.001 3.161 -2.108
295 HA TRP 40 HA TRP 40 7.536 4.153 0.644
296 HB2 TRP 40 1HB TRP 40 4.871 3.985 -0.838
297 HB3 TRP 40 2HB TRP 40 5.094 4.571 0.809
298 HD1 TRP 40 HD1 TRP 40 7.715 6.430 0.102
299 HE1 TRP 40 HE1 TRP 40 7.290 8.653 -1.109
300 HE3 TRP 40 HE3 TRP 40 3.094 5.422 -1.860
301 HZ2 TRP 40 HZ2 TRP 40 5.270 9.839 -2.671
302 HZ3 TRP 40 HZ3 TRP 40 1.970 7.163 -3.192
303 HH2 TRP 40 HH2 TRP 40 3.042 9.329 -3.583
304 H GLU 41 H GLU 41 6.854 2.972 2.374
305 HA GLU 41 HA GLU 41 6.310 0.109 1.915
306 HB2 GLU 41 1HB GLU 41 7.539 1.541 4.317
307 HB3 GLU 41 2HB GLU 41 7.252 -0.197 4.207
308 HG2 GLU 41 1HG GLU 41 8.790 -0.232 2.195
309 HG3 GLU 41 2HG GLU 41 9.177 1.454 2.537
310 H GLY 42 H GLY 42 4.342 -0.588 2.401
311 HA2 GLY 42 1HA GLY 42 2.638 0.864 4.360
312 HA3 GLY 42 2HA GLY 42 2.036 0.048 2.923
313 H GLU 43 H GLU 43 0.739 -0.722 4.946
314 HA GLU 43 HA GLU 43 1.668 -3.412 5.683
315 HB2 GLU 43 1HB GLU 43 2.410 -1.850 7.513
316 HB3 GLU 43 2HB GLU 43 0.744 -1.336 7.732
317 HG2 GLU 43 1HG GLU 43 0.225 -3.788 8.304
318 HG3 GLU 43 2HG GLU 43 1.973 -4.037 8.363
319 H LYS 44 H LYS 44 -0.089 -4.745 6.491
320 HA LYS 44 HA LYS 44 -2.833 -3.775 5.924
321 HB2 LYS 44 1HB LYS 44 -1.438 -6.351 5.187
322 HB3 LYS 44 2HB LYS 44 -3.162 -6.427 5.528
323 HG2 LYS 44 1HG LYS 44 -1.936 -4.560 3.458
324 HG3 LYS 44 2HG LYS 44 -2.554 -6.175 3.087
325 HD2 LYS 44 1HD LYS 44 -4.192 -3.890 4.268
326 HD3 LYS 44 2HD LYS 44 -4.194 -4.377 2.569
327 HE2 LYS 44 1HE LYS 44 -5.211 -6.512 3.115
328 HE3 LYS 44 2HE LYS 44 -5.001 -6.228 4.844
329 HZ1 LYS 44 3HZ LYS 44 -6.532 -4.332 4.636
330 HZ2 LYS 44 1HZ LYS 44 -7.251 -5.812 4.239
331 HZ3 LYS 44 2HZ LYS 44 -6.795 -4.740 3.018
332 H GLU 45 H GLU 45 -4.485 -5.084 6.999
333 HA GLU 45 HA GLU 45 -4.490 -5.120 9.761
334 HB2 GLU 45 1HB GLU 45 -6.558 -6.548 9.469
335 HB3 GLU 45 2HB GLU 45 -6.526 -5.107 8.453
336 HG2 GLU 45 1HG GLU 45 -5.741 -6.502 6.528
337 HG3 GLU 45 2HG GLU 45 -5.855 -7.937 7.542
338 H ASP 46 H ASP 46 -3.410 -7.562 7.550
339 HA ASP 46 HA ASP 46 -3.425 -9.884 9.139
340 HB2 ASP 46 1HB ASP 46 -3.223 -9.900 6.680
341 HB3 ASP 46 2HB ASP 46 -1.664 -9.090 6.774
342 H GLY 47 H GLY 47 -1.158 -7.225 8.874
343 HA2 GLY 47 1HA GLY 47 0.437 -6.737 10.607
344 HA3 GLY 47 2HA GLY 47 0.669 -8.465 10.863
345 H LEU 48 H LEU 48 0.610 -8.842 7.834
346 HA LEU 48 HA LEU 48 3.365 -8.711 7.264
347 HB2 LEU 48 1HB LEU 48 1.777 -10.268 6.122
348 HB3 LEU 48 2HB LEU 48 1.038 -8.904 5.304
349 HG LEU 48 HG LEU 48 3.222 -8.447 4.129
350 HD11 LEU 48 1HD1 LEU 48 5.003 -10.135 4.138
351 HD12 LEU 48 2HD1 LEU 48 4.165 -11.035 5.403
352 HD13 LEU 48 3HD1 LEU 48 4.784 -9.412 5.730
353 HD21 LEU 48 3HD2 LEU 48 2.112 -11.236 3.666
354 HD22 LEU 48 1HD2 LEU 48 3.099 -10.310 2.530
355 HD23 LEU 48 2HD2 LEU 48 1.493 -9.735 2.970
356 H ARG 49 H ARG 49 4.560 -7.281 6.163
357 HA ARG 49 HA ARG 49 3.422 -4.663 5.379
358 HB2 ARG 49 1HB ARG 49 6.262 -5.242 6.372
359 HB3 ARG 49 2HB ARG 49 5.557 -3.656 6.041
360 HG2 ARG 49 1HG ARG 49 4.023 -3.896 7.935
361 HG3 ARG 49 2HG ARG 49 4.593 -5.542 8.231
362 HD2 ARG 49 1HD ARG 49 6.892 -4.578 8.667
363 HD3 ARG 49 2HD ARG 49 6.173 -2.964 8.552
364 HE ARG 49 HE ARG 49 5.471 -5.006 10.582
365 HH11 ARG 49 1HH1 ARG 49 5.716 -1.617 9.692
366 HH12 ARG 49 2HH1 ARG 49 5.323 -1.056 11.283
367 HH21 ARG 49 1HH2 ARG 49 4.991 -4.255 12.657
368 HH22 ARG 49 2HH2 ARG 49 4.928 -2.549 12.967
369 H GLY 50 H GLY 50 4.969 -3.593 3.724
370 HA2 GLY 50 1HA GLY 50 6.736 -5.062 2.100
371 HA3 GLY 50 2HA GLY 50 5.132 -5.139 1.367
372 H TRP 51 H TRP 51 6.863 -4.020 -0.173
373 HA TRP 51 HA TRP 51 6.297 -1.144 -0.110
374 HB2 TRP 51 1HB TRP 51 8.704 -0.651 -0.712
375 HB3 TRP 51 2HB TRP 51 8.469 -1.209 0.935
376 HD1 TRP 51 HD1 TRP 51 9.238 -3.814 1.449
377 HE1 TRP 51 HE1 TRP 51 11.136 -5.194 0.409
378 HE3 TRP 51 HE3 TRP 51 10.027 -1.059 -2.790
379 HZ2 TRP 51 HZ2 TRP 51 12.748 -5.139 -1.893
380 HZ3 TRP 51 HZ3 TRP 51 11.775 -1.791 -4.366
381 HH2 TRP 51 HH2 TRP 51 13.111 -3.792 -3.923
382 H PHE 52 H PHE 52 5.921 -0.317 -2.056
383 HA PHE 52 HA PHE 52 6.557 -1.770 -4.536
384 HB2 PHE 52 1HB PHE 52 3.741 -0.892 -3.670
385 HB3 PHE 52 2HB PHE 52 4.148 -1.294 -5.335
386 HD1 PHE 52 HD1 PHE 52 4.727 -3.643 -5.960
387 HD2 PHE 52 HD2 PHE 52 3.429 -2.657 -2.002
388 HE1 PHE 52 HE1 PHE 52 4.318 -6.026 -5.490
389 HE2 PHE 52 HE2 PHE 52 3.026 -5.038 -1.553
390 HZ PHE 52 HZ PHE 52 3.469 -6.723 -3.288
391 HA PRO 53 HA PRO 53 7.395 2.338 -6.305
392 HB2 PRO 53 1HB PRO 53 5.409 1.556 -8.459
393 HB3 PRO 53 2HB PRO 53 7.030 2.256 -8.628
394 HG2 PRO 53 1HG PRO 53 6.668 -0.340 -9.071
395 HG3 PRO 53 2HG PRO 53 8.099 0.205 -8.165
396 HD2 PRO 53 1HD PRO 53 5.565 -1.053 -7.135
397 HD3 PRO 53 2HD PRO 53 7.243 -1.296 -6.603
398 H ALA 54 H ALA 54 6.527 4.374 -6.193
399 HA ALA 54 HA ALA 54 4.096 4.896 -4.839
400 HB1 ALA 54 3HB ALA 54 5.862 6.802 -6.421
401 HB2 ALA 54 1HB ALA 54 6.053 6.386 -4.717
402 HB3 ALA 54 2HB ALA 54 4.625 7.272 -5.249
403 H SER 55 H SER 55 4.905 4.658 -8.231
404 HA SER 55 HA SER 55 2.643 5.954 -9.377
405 HB2 SER 55 1HB SER 55 4.415 3.770 -10.564
406 HB3 SER 55 2HB SER 55 3.343 4.838 -11.474
407 HG SER 55 HG SER 55 4.767 6.504 -10.167
408 H TYR 56 H TYR 56 3.082 2.823 -7.921
409 HA TYR 56 HA TYR 56 0.998 1.450 -9.375
410 HB2 TYR 56 1HB TYR 56 3.114 0.358 -8.364
411 HB3 TYR 56 2HB TYR 56 2.308 0.457 -6.799
412 HD1 TYR 56 HD1 TYR 56 2.031 -0.971 -10.231
413 HD2 TYR 56 HD2 TYR 56 0.621 -1.199 -6.203
414 HE1 TYR 56 HE1 TYR 56 0.820 -3.031 -10.773
415 HE2 TYR 56 HE2 TYR 56 -0.582 -3.270 -6.750
416 HH TYR 56 HH TYR 56 -1.556 -4.319 -8.776
417 H VAL 57 H VAL 57 1.142 3.439 -6.578
418 HA VAL 57 HA VAL 57 -1.686 2.836 -5.898
419 HB VAL 57 HB VAL 57 -1.238 3.757 -3.620
420 HG11 VAL 57 1HG1 VAL 57 0.019 1.821 -2.711
421 HG12 VAL 57 2HG1 VAL 57 0.584 1.416 -4.334
422 HG13 VAL 57 3HG1 VAL 57 -1.136 1.310 -3.946
423 HG21 VAL 57 3HG2 VAL 57 0.672 5.237 -4.144
424 HG22 VAL 57 1HG2 VAL 57 1.695 3.835 -4.464
425 HG23 VAL 57 2HG2 VAL 57 1.093 4.139 -2.831
426 H GLN 58 H GLN 58 -2.814 4.798 -4.986
427 HA GLN 58 HA GLN 58 -2.062 7.305 -6.386
428 HB2 GLN 58 1HB GLN 58 -4.095 6.203 -7.348
429 HB3 GLN 58 2HB GLN 58 -4.865 6.239 -5.764
430 HG2 GLN 58 1HG GLN 58 -4.704 8.767 -5.843
431 HG3 GLN 58 2HG GLN 58 -4.122 8.623 -7.500
432 HE21 GLN 58 2HE2 GLN 58 -6.878 8.254 -5.389
433 HE22 GLN 58 1HE2 GLN 58 -8.072 8.144 -6.632
434 H LEU 59 H LEU 59 -1.884 9.076 -5.081
435 HA LEU 59 HA LEU 59 -2.149 8.978 -2.257
436 HB2 LEU 59 1HB LEU 59 -1.956 11.338 -4.173
437 HB3 LEU 59 2HB LEU 59 -1.897 11.502 -2.422
438 HG LEU 59 HG LEU 59 0.133 9.929 -4.078
439 HD11 LEU 59 1HD1 LEU 59 1.713 11.740 -3.615
440 HD12 LEU 59 2HD1 LEU 59 0.452 12.659 -2.790
441 HD13 LEU 59 3HD1 LEU 59 0.323 12.337 -4.521
442 HD21 LEU 59 3HD2 LEU 59 0.134 10.625 -1.115
443 HD22 LEU 59 1HD2 LEU 59 1.458 9.850 -1.992
444 HD23 LEU 59 2HD2 LEU 59 -0.082 9.020 -1.816
445 H LEU 60 H LEU 60 -3.746 9.811 -0.890
446 HA LEU 60 HA LEU 60 -6.449 9.773 -1.859
447 HB2 LEU 60 1HB LEU 60 -5.288 10.408 0.878
448 HB3 LEU 60 2HB LEU 60 -7.014 10.350 0.549
449 HG LEU 60 HG LEU 60 -5.080 8.003 0.304
450 HD11 LEU 60 1HD1 LEU 60 -6.268 7.050 2.227
451 HD12 LEU 60 2HD1 LEU 60 -7.242 8.515 2.373
452 HD13 LEU 60 3HD1 LEU 60 -5.498 8.581 2.638
453 HD21 LEU 60 3HD2 LEU 60 -8.088 8.068 -0.142
454 HD22 LEU 60 1HD2 LEU 60 -7.085 6.613 -0.094
455 HD23 LEU 60 2HD2 LEU 60 -6.845 7.804 -1.368
Start of MODEL 8
1 H1 MET 1 1H MET 1 1.753 10.131 13.597
2 H2 MET 1 2H MET 1 2.097 11.772 13.821
3 H3 MET 1 3H MET 1 3.277 10.610 14.153
4 HA MET 1 HA MET 1 3.751 11.696 12.087
5 HB2 MET 1 1HB MET 1 2.733 8.854 11.636
6 HB3 MET 1 2HB MET 1 3.896 9.702 10.621
7 HG2 MET 1 1HG MET 1 5.043 8.117 12.040
8 HG3 MET 1 2HG MET 1 5.482 9.759 12.514
9 HE1 MET 1 3HE MET 1 6.452 8.876 14.878
10 HE2 MET 1 1HE MET 1 6.062 7.225 14.399
11 HE3 MET 1 2HE MET 1 5.531 7.840 15.968
12 H SER 2 H SER 2 3.064 12.338 10.012
13 HA SER 2 HA SER 2 0.289 13.009 9.737
14 HB2 SER 2 1HB SER 2 2.191 14.452 8.896
15 HB3 SER 2 2HB SER 2 2.515 13.252 7.649
16 HG SER 2 HG SER 2 0.270 14.936 7.968
17 H GLY 3 H GLY 3 -1.238 11.686 8.978
18 HA2 GLY 3 1HA GLY 3 -0.673 9.059 7.949
19 HA3 GLY 3 2HA GLY 3 -2.253 9.768 8.239
20 H ALA 4 H ALA 4 0.501 9.888 5.992
21 HA ALA 4 HA ALA 4 -1.153 10.815 3.779
22 HB1 ALA 4 3HB ALA 4 1.167 11.612 3.913
23 HB2 ALA 4 1HB ALA 4 0.939 10.642 2.457
24 HB3 ALA 4 2HB ALA 4 1.763 9.953 3.857
25 H ARG 5 H ARG 5 -1.819 9.459 2.093
26 HA ARG 5 HA ARG 5 -1.818 6.567 2.763
27 HB2 ARG 5 1HB ARG 5 -4.181 8.056 1.544
28 HB3 ARG 5 2HB ARG 5 -4.174 6.473 2.315
29 HG2 ARG 5 1HG ARG 5 -3.915 7.483 4.510
30 HG3 ARG 5 2HG ARG 5 -3.687 9.081 3.797
31 HD2 ARG 5 1HD ARG 5 -6.025 8.932 2.882
32 HD3 ARG 5 2HD ARG 5 -6.228 7.417 3.769
33 HE ARG 5 HE ARG 5 -5.918 10.115 4.925
34 HH11 ARG 5 1HH1 ARG 5 -6.607 6.707 5.474
35 HH12 ARG 5 2HH1 ARG 5 -7.324 6.985 7.029
36 HH21 ARG 5 1HH2 ARG 5 -6.855 10.457 6.942
37 HH22 ARG 5 2HH2 ARG 5 -7.459 9.116 7.862
38 H CYS 6 H CYS 6 -2.485 5.236 0.944
39 HA CYS 6 HA CYS 6 -2.193 6.319 -1.781
40 HB2 CYS 6 1HB CYS 6 -1.033 3.674 -0.773
41 HB3 CYS 6 2HB CYS 6 -0.984 4.249 -2.439
42 HG CYS 6 HG CYS 6 0.365 6.609 -0.717
43 H ARG 7 H ARG 7 -3.655 5.282 -3.245
44 HA ARG 7 HA ARG 7 -5.478 3.265 -2.087
45 HB2 ARG 7 1HB ARG 7 -7.334 4.197 -3.430
46 HB3 ARG 7 2HB ARG 7 -6.722 5.352 -2.253
47 HG2 ARG 7 1HG ARG 7 -5.491 6.523 -4.033
48 HG3 ARG 7 2HG ARG 7 -6.098 5.372 -5.225
49 HD2 ARG 7 1HD ARG 7 -7.858 7.185 -3.532
50 HD3 ARG 7 2HD ARG 7 -7.342 7.544 -5.180
51 HE ARG 7 HE ARG 7 -8.532 5.071 -5.317
52 HH11 ARG 7 1HH1 ARG 7 -9.617 8.252 -4.289
53 HH12 ARG 7 2HH1 ARG 7 -11.244 7.979 -4.808
54 HH21 ARG 7 1HH2 ARG 7 -10.673 4.746 -5.961
55 HH22 ARG 7 2HH2 ARG 7 -11.841 6.006 -5.748
56 H THR 8 H THR 8 -5.662 1.501 -3.173
57 HA THR 8 HA THR 8 -3.954 0.957 -5.418
58 HB THR 8 HB THR 8 -4.918 -1.410 -5.062
59 HG1 THR 8 HG1 THR 8 -5.836 -1.245 -2.672
60 HG21 THR 8 3HG2 THR 8 -3.583 -0.032 -2.692
61 HG22 THR 8 1HG2 THR 8 -2.742 -0.721 -4.085
62 HG23 THR 8 2HG2 THR 8 -3.631 -1.770 -2.980
63 H LEU 9 H LEU 9 -4.530 0.865 -7.469
64 HA LEU 9 HA LEU 9 -7.090 1.817 -8.306
65 HB2 LEU 9 1HB LEU 9 -4.795 0.750 -9.994
66 HB3 LEU 9 2HB LEU 9 -6.122 1.762 -10.550
67 HG LEU 9 HG LEU 9 -3.901 2.594 -8.635
68 HD11 LEU 9 1HD1 LEU 9 -3.137 2.453 -10.945
69 HD12 LEU 9 2HD1 LEU 9 -3.192 4.128 -10.405
70 HD13 LEU 9 3HD1 LEU 9 -4.454 3.507 -11.475
71 HD21 LEU 9 3HD2 LEU 9 -6.259 4.243 -9.616
72 HD22 LEU 9 1HD2 LEU 9 -4.877 4.860 -8.706
73 HD23 LEU 9 2HD2 LEU 9 -5.964 3.694 -7.963
74 H TYR 10 H TYR 10 -5.310 -1.255 -8.822
75 HA TYR 10 HA TYR 10 -7.843 -2.751 -8.946
76 HB2 TYR 10 1HB TYR 10 -5.657 -2.875 -11.084
77 HB3 TYR 10 2HB TYR 10 -6.930 -4.083 -10.927
78 HD1 TYR 10 HD1 TYR 10 -9.401 -3.161 -10.945
79 HD2 TYR 10 HD2 TYR 10 -6.054 -1.015 -12.506
80 HE1 TYR 10 HE1 TYR 10 -10.918 -1.784 -12.297
81 HE2 TYR 10 HE2 TYR 10 -7.573 0.361 -13.866
82 HH TYR 10 HH TYR 10 -10.995 0.322 -13.406
83 HA PRO 11 HA PRO 11 -5.404 -5.629 -6.501
84 HB2 PRO 11 1HB PRO 11 -6.830 -8.028 -7.287
85 HB3 PRO 11 2HB PRO 11 -7.087 -7.046 -5.845
86 HG2 PRO 11 1HG PRO 11 -8.902 -7.282 -7.945
87 HG3 PRO 11 2HG PRO 11 -8.885 -5.965 -6.755
88 HD2 PRO 11 1HD PRO 11 -7.811 -5.997 -9.566
89 HD3 PRO 11 2HD PRO 11 -8.629 -4.689 -8.682
90 H PHE 12 H PHE 12 -3.401 -5.613 -7.488
91 HA PHE 12 HA PHE 12 -2.845 -7.455 -9.723
92 HB2 PHE 12 1HB PHE 12 -1.055 -5.328 -8.461
93 HB3 PHE 12 2HB PHE 12 -0.643 -6.318 -9.858
94 HD1 PHE 12 HD1 PHE 12 -2.000 -6.052 -11.995
95 HD2 PHE 12 HD2 PHE 12 -2.302 -3.310 -8.728
96 HE1 PHE 12 HE1 PHE 12 -2.959 -4.357 -13.497
97 HE2 PHE 12 HE2 PHE 12 -3.261 -1.623 -10.239
98 HZ PHE 12 HZ PHE 12 -3.585 -2.146 -12.625
99 H SER 13 H SER 13 -1.561 -9.204 -9.488
100 HA SER 13 HA SER 13 0.054 -9.628 -7.081
101 HB2 SER 13 1HB SER 13 -2.002 -11.659 -8.068
102 HB3 SER 13 2HB SER 13 -0.813 -11.946 -6.794
103 HG SER 13 HG SER 13 -2.071 -9.738 -6.131
104 H GLY 14 H GLY 14 1.870 -9.364 -8.316
105 HA2 GLY 14 1HA GLY 14 2.435 -10.994 -10.664
106 HA3 GLY 14 2HA GLY 14 3.535 -9.893 -9.843
107 H GLU 15 H GLU 15 5.002 -11.823 -10.302
108 HA GLU 15 HA GLU 15 4.881 -13.745 -8.042
109 HB2 GLU 15 1HB GLU 15 4.141 -14.853 -10.158
110 HB3 GLU 15 2HB GLU 15 5.675 -14.428 -10.908
111 HG2 GLU 15 1HG GLU 15 5.666 -16.760 -10.201
112 HG3 GLU 15 2HG GLU 15 6.871 -15.844 -9.299
113 H ARG 16 H ARG 16 6.681 -13.982 -6.960
114 HA ARG 16 HA ARG 16 9.333 -13.245 -7.975
115 HB2 ARG 16 1HB ARG 16 8.110 -12.049 -5.435
116 HB3 ARG 16 2HB ARG 16 9.810 -11.934 -5.873
117 HG2 ARG 16 1HG ARG 16 9.227 -10.577 -7.842
118 HG3 ARG 16 2HG ARG 16 7.513 -10.709 -7.441
119 HD2 ARG 16 1HD ARG 16 7.857 -9.465 -5.376
120 HD3 ARG 16 2HD ARG 16 9.606 -9.446 -5.630
121 HE ARG 16 HE ARG 16 7.612 -7.982 -7.273
122 HH11 ARG 16 1HH1 ARG 16 10.935 -8.342 -6.167
123 HH12 ARG 16 2HH1 ARG 16 11.417 -6.787 -6.763
124 HH21 ARG 16 1HH2 ARG 16 8.269 -5.948 -8.041
125 HH22 ARG 16 2HH2 ARG 16 9.915 -5.436 -7.837
126 H HIS 17 H HIS 17 10.922 -14.558 -7.067
127 HA HIS 17 HA HIS 17 10.269 -16.764 -5.370
128 HB2 HIS 17 1HB HIS 17 12.158 -16.912 -6.969
129 HB3 HIS 17 2HB HIS 17 13.014 -15.625 -6.120
130 HD2 HIS 17 HD2 HIS 17 14.656 -16.478 -4.122
131 HE1 HIS 17 HE1 HIS 17 13.204 -20.451 -3.900
132 HE2 HIS 17 HE2 HIS 17 14.839 -18.777 -2.930
133 H GLY 18 H GLY 18 9.483 -16.215 -3.423
134 HA2 GLY 18 1HA GLY 18 10.605 -15.685 -1.121
135 HA3 GLY 18 2HA GLY 18 10.672 -14.061 -1.803
136 H GLN 19 H GLN 19 9.030 -12.803 -1.185
137 HA GLN 19 HA GLN 19 6.283 -13.628 -1.308
138 HB2 GLN 19 1HB GLN 19 6.846 -14.602 0.886
139 HB3 GLN 19 2HB GLN 19 7.529 -13.077 1.434
140 HG2 GLN 19 1HG GLN 19 5.454 -13.122 2.488
141 HG3 GLN 19 2HG GLN 19 5.139 -12.115 1.086
142 HE21 GLN 19 2HE2 GLN 19 4.937 -14.565 -0.726
143 HE22 GLN 19 1HE2 GLN 19 3.414 -15.249 -0.338
144 H GLY 20 H GLY 20 5.307 -11.905 -2.142
145 HA2 GLY 20 1HA GLY 20 6.098 -9.154 -1.435
146 HA3 GLY 20 2HA GLY 20 5.015 -9.631 -2.739
147 H LEU 21 H LEU 21 4.281 -7.605 -0.948
148 HA LEU 21 HA LEU 21 2.468 -8.843 1.011
149 HB2 LEU 21 1HB LEU 21 3.973 -6.839 1.594
150 HB3 LEU 21 2HB LEU 21 2.910 -5.863 0.596
151 HG LEU 21 HG LEU 21 0.986 -6.453 2.086
152 HD11 LEU 21 1HD1 LEU 21 1.394 -7.551 4.250
153 HD12 LEU 21 2HD1 LEU 21 3.068 -7.859 3.789
154 HD13 LEU 21 3HD1 LEU 21 1.750 -8.628 2.900
155 HD21 LEU 21 3HD2 LEU 21 1.643 -5.075 4.018
156 HD22 LEU 21 1HD2 LEU 21 2.220 -4.372 2.508
157 HD23 LEU 21 2HD2 LEU 21 3.341 -5.232 3.563
158 H ARG 22 H ARG 22 0.341 -9.015 0.688
159 HA ARG 22 HA ARG 22 -0.687 -8.687 -1.981
160 HB2 ARG 22 1HB ARG 22 -1.033 -10.703 -0.496
161 HB3 ARG 22 2HB ARG 22 -2.086 -9.727 0.518
162 HG2 ARG 22 1HG ARG 22 -3.646 -9.463 -1.402
163 HG3 ARG 22 2HG ARG 22 -2.578 -10.470 -2.386
164 HD2 ARG 22 1HD ARG 22 -2.903 -12.339 -0.765
165 HD3 ARG 22 2HD ARG 22 -4.030 -11.331 0.143
166 HE ARG 22 HE ARG 22 -5.097 -11.362 -2.357
167 HH11 ARG 22 1HH1 ARG 22 -4.088 -13.936 -0.174
168 HH12 ARG 22 2HH1 ARG 22 -5.289 -15.050 -0.735
169 HH21 ARG 22 1HH2 ARG 22 -6.662 -12.850 -3.089
170 HH22 ARG 22 2HH2 ARG 22 -6.728 -14.440 -2.403
171 H PHE 23 H PHE 23 -2.548 -7.526 -2.621
172 HA PHE 23 HA PHE 23 -3.965 -5.784 -0.782
173 HB2 PHE 23 1HB PHE 23 -3.552 -3.716 -2.125
174 HB3 PHE 23 2HB PHE 23 -2.091 -4.325 -1.364
175 HD1 PHE 23 HD2 PHE 23 -0.283 -5.330 -2.733
176 HD2 PHE 23 HD1 PHE 23 -3.773 -3.680 -4.572
177 HE1 PHE 23 HE2 PHE 23 0.876 -5.289 -4.907
178 HE2 PHE 23 HE1 PHE 23 -2.608 -3.645 -6.740
179 HZ PHE 23 HZ PHE 23 -0.285 -4.443 -6.908
180 H ALA 24 H ALA 24 -5.949 -5.149 -1.542
181 HA ALA 24 HA ALA 24 -6.923 -6.238 -4.121
182 HB1 ALA 24 3HB ALA 24 -9.181 -6.165 -3.097
183 HB2 ALA 24 1HB ALA 24 -8.480 -5.552 -1.595
184 HB3 ALA 24 2HB ALA 24 -8.082 -7.177 -2.154
185 H ALA 25 H ALA 25 -8.698 -4.779 -5.100
186 HA ALA 25 HA ALA 25 -7.727 -2.070 -5.346
187 HB1 ALA 25 3HB ALA 25 -10.226 -3.339 -6.528
188 HB2 ALA 25 1HB ALA 25 -8.640 -3.281 -7.294
189 HB3 ALA 25 2HB ALA 25 -9.526 -1.787 -7.002
190 H GLY 26 H GLY 26 -8.592 -0.202 -4.538
191 HA2 GLY 26 1HA GLY 26 -10.392 1.212 -3.953
192 HA3 GLY 26 2HA GLY 26 -11.324 -0.177 -3.421
193 H GLU 27 H GLU 27 -8.753 -1.080 -1.937
194 HA GLU 27 HA GLU 27 -9.382 0.327 0.529
195 HB2 GLU 27 1HB GLU 27 -7.790 -1.327 1.581
196 HB3 GLU 27 2HB GLU 27 -9.160 -2.044 0.755
197 HG2 GLU 27 1HG GLU 27 -7.486 -3.454 0.070
198 HG3 GLU 27 2HG GLU 27 -7.485 -2.296 -1.251
199 H LEU 28 H LEU 28 -7.573 1.062 1.936
200 HA LEU 28 HA LEU 28 -5.791 2.817 0.384
201 HB2 LEU 28 1HB LEU 28 -7.066 3.255 3.121
202 HB3 LEU 28 2HB LEU 28 -5.836 4.303 2.435
203 HG LEU 28 HG LEU 28 -7.444 4.801 0.524
204 HD11 LEU 28 1HD1 LEU 28 -8.960 2.901 0.686
205 HD12 LEU 28 2HD1 LEU 28 -9.839 4.421 0.841
206 HD13 LEU 28 3HD1 LEU 28 -9.505 3.446 2.276
207 HD21 LEU 28 3HD2 LEU 28 -8.762 6.434 1.797
208 HD22 LEU 28 1HD2 LEU 28 -7.086 6.393 2.343
209 HD23 LEU 28 2HD2 LEU 28 -8.345 5.611 3.301
210 H ILE 29 H ILE 29 -3.719 2.262 0.476
211 HA ILE 29 HA ILE 29 -2.569 0.656 2.613
212 HB ILE 29 HB ILE 29 -1.323 1.898 0.110
213 HG12 ILE 29 1HG1 ILE 29 -2.925 0.038 -0.355
214 HG13 ILE 29 2HG1 ILE 29 -1.279 -0.376 -0.819
215 HG21 ILE 29 1HG2 ILE 29 0.688 0.498 0.551
216 HG22 ILE 29 2HG2 ILE 29 0.007 0.033 2.112
217 HG23 ILE 29 3HG2 ILE 29 0.427 1.716 1.799
218 HD11 ILE 29 3HD1 ILE 29 -1.052 -1.730 1.216
219 HD12 ILE 29 1HD1 ILE 29 -2.409 -2.250 0.217
220 HD13 ILE 29 2HD1 ILE 29 -2.706 -1.307 1.674
221 H THR 30 H THR 30 -1.996 1.638 4.443
222 HA THR 30 HA THR 30 -1.297 4.473 4.577
223 HB THR 30 HB THR 30 -1.479 2.418 6.836
224 HG1 THR 30 HG1 THR 30 -3.425 3.262 5.365
225 HG21 THR 30 3HG2 THR 30 -0.195 4.447 7.468
226 HG22 THR 30 1HG2 THR 30 -1.748 4.401 8.305
227 HG23 THR 30 2HG2 THR 30 -1.524 5.469 6.918
228 H LEU 31 H LEU 31 0.786 5.192 4.696
229 HA LEU 31 HA LEU 31 2.961 3.321 4.545
230 HB2 LEU 31 1HB LEU 31 4.414 5.412 4.528
231 HB3 LEU 31 2HB LEU 31 3.287 5.200 3.208
232 HG LEU 31 HG LEU 31 1.759 6.866 4.441
233 HD11 LEU 31 1HD1 LEU 31 2.809 8.478 5.946
234 HD12 LEU 31 2HD1 LEU 31 4.283 7.506 5.981
235 HD13 LEU 31 3HD1 LEU 31 2.781 6.863 6.653
236 HD21 LEU 31 3HD2 LEU 31 4.403 7.826 3.322
237 HD22 LEU 31 1HD2 LEU 31 2.944 8.806 3.502
238 HD23 LEU 31 2HD2 LEU 31 2.948 7.432 2.402
239 H LEU 32 H LEU 32 4.646 3.029 5.960
240 HA LEU 32 HA LEU 32 4.136 3.536 8.816
241 HB2 LEU 32 1HB LEU 32 6.161 1.712 7.463
242 HB3 LEU 32 2HB LEU 32 5.814 1.767 9.185
243 HG LEU 32 HG LEU 32 3.797 0.897 7.070
244 HD11 LEU 32 1HD1 LEU 32 5.501 -0.853 8.867
245 HD12 LEU 32 2HD1 LEU 32 5.675 -0.669 7.121
246 HD13 LEU 32 3HD1 LEU 32 4.222 -1.406 7.785
247 HD21 LEU 32 3HD2 LEU 32 3.703 0.660 10.101
248 HD22 LEU 32 1HD2 LEU 32 2.500 0.019 8.977
249 HD23 LEU 32 2HD2 LEU 32 2.740 1.759 9.112
250 H GLN 33 H GLN 33 6.035 4.583 6.171
251 HA GLN 33 HA GLN 33 7.756 6.280 7.779
252 HB2 GLN 33 1HB GLN 33 8.949 4.042 7.644
253 HB3 GLN 33 2HB GLN 33 8.976 4.195 5.891
254 HG2 GLN 33 1HG GLN 33 10.324 6.294 6.158
255 HG3 GLN 33 2HG GLN 33 10.366 5.996 7.894
256 HE21 GLN 33 2HE2 GLN 33 10.689 3.057 7.547
257 HE22 GLN 33 1HE2 GLN 33 12.317 2.846 7.021
258 H VAL 34 H VAL 34 8.575 8.011 6.592
259 HA VAL 34 HA VAL 34 8.048 8.135 3.687
260 HB VAL 34 HB VAL 34 8.051 10.709 4.015
261 HG11 VAL 34 1HG1 VAL 34 5.721 9.143 5.206
262 HG12 VAL 34 2HG1 VAL 34 5.988 9.450 3.488
263 HG13 VAL 34 3HG1 VAL 34 5.648 10.793 4.579
264 HG21 VAL 34 3HG2 VAL 34 7.526 9.954 6.926
265 HG22 VAL 34 1HG2 VAL 34 7.374 11.578 6.241
266 HG23 VAL 34 2HG2 VAL 34 8.955 10.797 6.327
267 HA PRO 35 HA PRO 35 12.639 8.609 3.950
268 HB2 PRO 35 1HB PRO 35 13.361 6.666 2.227
269 HB3 PRO 35 2HB PRO 35 12.871 6.251 3.878
270 HG2 PRO 35 1HG PRO 35 11.291 6.067 1.324
271 HG3 PRO 35 2HG PRO 35 11.368 4.916 2.675
272 HD2 PRO 35 1HD PRO 35 9.348 6.827 2.313
273 HD3 PRO 35 2HD PRO 35 9.725 6.034 3.855
274 H ASP 36 H ASP 36 14.085 8.629 1.695
275 HA ASP 36 HA ASP 36 12.799 10.536 -0.106
276 HB2 ASP 36 1HB ASP 36 15.237 10.800 0.647
277 HB3 ASP 36 2HB ASP 36 15.630 9.381 -0.315
278 H GLY 37 H GLY 37 12.292 10.105 -2.237
279 HA2 GLY 37 1HA GLY 37 11.978 8.899 -4.206
280 HA3 GLY 37 2HA GLY 37 12.631 7.448 -3.444
281 H GLY 38 H GLY 38 10.300 7.369 -4.970
282 HA2 GLY 38 1HA GLY 38 7.932 7.436 -3.265
283 HA3 GLY 38 2HA GLY 38 8.014 7.025 -4.964
284 H TRP 39 H TRP 39 9.487 5.708 -2.003
285 HA TRP 39 HA TRP 39 8.207 3.088 -2.494
286 HB2 TRP 39 1HB TRP 39 11.085 3.533 -1.561
287 HB3 TRP 39 2HB TRP 39 10.277 1.970 -1.640
288 HD1 TRP 39 HD1 TRP 39 12.172 4.451 -3.792
289 HE1 TRP 39 HE1 TRP 39 12.453 3.486 -6.156
290 HE3 TRP 39 HE3 TRP 39 8.998 0.449 -3.430
291 HZ2 TRP 39 HZ2 TRP 39 11.473 1.330 -7.677
292 HZ3 TRP 39 HZ3 TRP 39 8.726 -1.012 -5.393
293 HH2 TRP 39 HH2 TRP 39 9.937 -0.584 -7.473
294 H TRP 40 H TRP 40 6.677 3.236 -0.939
295 HA TRP 40 HA TRP 40 7.450 4.023 1.814
296 HB2 TRP 40 1HB TRP 40 4.725 4.235 0.446
297 HB3 TRP 40 2HB TRP 40 5.024 4.590 2.144
298 HD1 TRP 40 HD1 TRP 40 7.842 6.241 1.478
299 HE1 TRP 40 HE1 TRP 40 7.573 8.652 0.637
300 HE3 TRP 40 HE3 TRP 40 2.999 6.007 -0.165
301 HZ2 TRP 40 HZ2 TRP 40 5.588 10.256 -0.542
302 HZ3 TRP 40 HZ3 TRP 40 1.980 8.036 -1.121
303 HH2 TRP 40 HH2 TRP 40 3.249 10.119 -1.304
304 H GLU 41 H GLU 41 6.714 2.743 3.518
305 HA GLU 41 HA GLU 41 6.358 -0.078 2.843
306 HB2 GLU 41 1HB GLU 41 6.764 1.243 5.563
307 HB3 GLU 41 2HB GLU 41 6.873 -0.481 5.217
308 HG2 GLU 41 1HG GLU 41 8.871 -0.072 3.836
309 HG3 GLU 41 2HG GLU 41 8.751 1.658 4.161
310 H GLY 42 H GLY 42 4.283 -0.784 2.644
311 HA2 GLY 42 1HA GLY 42 2.127 0.260 4.370
312 HA3 GLY 42 2HA GLY 42 1.963 -0.847 3.007
313 H GLU 43 H GLU 43 0.675 -1.438 5.342
314 HA GLU 43 HA GLU 43 1.909 -3.993 6.025
315 HB2 GLU 43 1HB GLU 43 2.774 -2.439 7.774
316 HB3 GLU 43 2HB GLU 43 1.125 -1.979 8.185
317 HG2 GLU 43 1HG GLU 43 0.652 -4.220 9.013
318 HG3 GLU 43 2HG GLU 43 2.224 -4.804 8.469
319 H LYS 44 H LYS 44 0.416 -5.534 6.706
320 HA LYS 44 HA LYS 44 -2.428 -4.877 6.244
321 HB2 LYS 44 1HB LYS 44 -0.964 -7.541 6.113
322 HB3 LYS 44 2HB LYS 44 -2.698 -7.345 5.868
323 HG2 LYS 44 1HG LYS 44 -2.127 -5.806 3.927
324 HG3 LYS 44 2HG LYS 44 -0.451 -6.314 4.125
325 HD2 LYS 44 1HD LYS 44 -1.297 -7.702 2.399
326 HD3 LYS 44 2HD LYS 44 -1.303 -8.734 3.828
327 HE2 LYS 44 1HE LYS 44 -3.737 -7.272 2.732
328 HE3 LYS 44 2HE LYS 44 -3.360 -8.962 2.416
329 HZ1 LYS 44 3HZ LYS 44 -3.503 -9.324 4.851
330 HZ2 LYS 44 1HZ LYS 44 -4.961 -8.835 4.145
331 HZ3 LYS 44 2HZ LYS 44 -4.041 -7.730 5.022
332 H GLU 45 H GLU 45 -3.807 -6.706 7.339
333 HA GLU 45 HA GLU 45 -4.011 -6.322 10.108
334 HB2 GLU 45 1HB GLU 45 -5.163 -8.745 8.674
335 HB3 GLU 45 2HB GLU 45 -5.806 -7.917 10.081
336 HG2 GLU 45 1HG GLU 45 -7.289 -7.322 8.387
337 HG3 GLU 45 2HG GLU 45 -6.217 -5.927 8.456
338 H ASP 46 H ASP 46 -2.478 -8.715 8.107
339 HA ASP 46 HA ASP 46 -1.942 -10.818 9.867
340 HB2 ASP 46 1HB ASP 46 -0.181 -9.893 7.555
341 HB3 ASP 46 2HB ASP 46 -0.255 -11.520 8.228
342 H GLY 47 H GLY 47 -0.469 -7.685 9.642
343 HA2 GLY 47 1HA GLY 47 1.053 -6.715 11.132
344 HA3 GLY 47 2HA GLY 47 1.520 -8.305 11.720
345 H LEU 48 H LEU 48 1.565 -8.890 8.606
346 HA LEU 48 HA LEU 48 4.383 -8.593 8.203
347 HB2 LEU 48 1HB LEU 48 2.188 -9.366 6.232
348 HB3 LEU 48 2HB LEU 48 3.916 -9.540 5.949
349 HG LEU 48 HG LEU 48 2.291 -11.053 8.036
350 HD11 LEU 48 1HD1 LEU 48 3.545 -12.038 5.450
351 HD12 LEU 48 2HD1 LEU 48 1.822 -11.814 5.759
352 HD13 LEU 48 3HD1 LEU 48 2.718 -13.039 6.651
353 HD21 LEU 48 3HD2 LEU 48 4.563 -10.663 8.863
354 HD22 LEU 48 1HD2 LEU 48 5.248 -11.309 7.368
355 HD23 LEU 48 2HD2 LEU 48 4.337 -12.360 8.456
356 H ARG 49 H ARG 49 5.423 -6.997 7.219
357 HA ARG 49 HA ARG 49 3.937 -4.834 5.849
358 HB2 ARG 49 1HB ARG 49 5.724 -3.291 6.644
359 HB3 ARG 49 2HB ARG 49 4.821 -4.019 7.969
360 HG2 ARG 49 1HG ARG 49 6.686 -5.631 8.332
361 HG3 ARG 49 2HG ARG 49 7.595 -4.843 7.036
362 HD2 ARG 49 1HD ARG 49 8.267 -4.096 9.327
363 HD3 ARG 49 2HD ARG 49 7.708 -2.773 8.294
364 HE ARG 49 HE ARG 49 5.555 -3.831 9.823
365 HH11 ARG 49 1HH1 ARG 49 8.403 -1.824 10.244
366 HH12 ARG 49 2HH1 ARG 49 7.700 -0.891 11.520
367 HH21 ARG 49 1HH2 ARG 49 4.636 -2.564 11.445
368 HH22 ARG 49 2HH2 ARG 49 5.562 -1.297 12.184
369 H GLY 50 H GLY 50 5.175 -3.686 4.231
370 HA2 GLY 50 1HA GLY 50 7.569 -4.682 3.063
371 HA3 GLY 50 2HA GLY 50 6.158 -5.288 2.194
372 H TRP 51 H TRP 51 8.170 -3.545 1.177
373 HA TRP 51 HA TRP 51 7.236 -0.853 1.052
374 HB2 TRP 51 1HB TRP 51 8.906 -0.711 -0.912
375 HB3 TRP 51 2HB TRP 51 9.568 -1.132 0.661
376 HD1 TRP 51 HD1 TRP 51 10.765 -3.477 0.905
377 HE1 TRP 51 HE1 TRP 51 11.404 -5.336 -0.744
378 HE3 TRP 51 HE3 TRP 51 8.068 -1.939 -3.188
379 HZ2 TRP 51 HZ2 TRP 51 10.846 -6.077 -3.396
380 HZ3 TRP 51 HZ3 TRP 51 8.176 -3.296 -5.241
381 HH2 TRP 51 HH2 TRP 51 9.541 -5.323 -5.338
382 H PHE 52 H PHE 52 6.326 0.226 -0.723
383 HA PHE 52 HA PHE 52 5.052 -1.355 -2.851
384 HB2 PHE 52 1HB PHE 52 3.668 0.698 -1.062
385 HB3 PHE 52 2HB PHE 52 3.032 0.263 -2.645
386 HD1 PHE 52 HD1 PHE 52 2.329 -2.117 -3.083
387 HD2 PHE 52 HD2 PHE 52 3.279 -0.714 0.837
388 HE1 PHE 52 HE1 PHE 52 1.148 -4.039 -2.104
389 HE2 PHE 52 HE2 PHE 52 2.100 -2.635 1.805
390 HZ PHE 52 HZ PHE 52 1.035 -4.303 0.340
391 HA PRO 53 HA PRO 53 6.770 2.045 -5.321
392 HB2 PRO 53 1HB PRO 53 5.083 1.083 -7.557
393 HB3 PRO 53 2HB PRO 53 6.843 1.093 -7.420
394 HG2 PRO 53 1HG PRO 53 5.400 -1.209 -7.357
395 HG3 PRO 53 2HG PRO 53 6.918 -1.012 -6.456
396 HD2 PRO 53 1HD PRO 53 4.082 -0.817 -5.447
397 HD3 PRO 53 2HD PRO 53 5.489 -1.623 -4.710
398 H ALA 54 H ALA 54 5.987 4.009 -4.846
399 HA ALA 54 HA ALA 54 3.255 4.604 -4.347
400 HB1 ALA 54 3HB ALA 54 5.105 5.751 -3.187
401 HB2 ALA 54 1HB ALA 54 4.021 6.908 -3.962
402 HB3 ALA 54 2HB ALA 54 5.581 6.529 -4.696
403 H SER 55 H SER 55 5.302 5.042 -7.204
404 HA SER 55 HA SER 55 3.520 6.797 -8.622
405 HB2 SER 55 1HB SER 55 5.964 6.700 -9.107
406 HB3 SER 55 2HB SER 55 5.766 5.059 -9.723
407 HG SER 55 HG SER 55 4.113 6.181 -11.169
408 H TYR 56 H TYR 56 3.507 3.429 -8.028
409 HA TYR 56 HA TYR 56 2.245 2.501 -10.443
410 HB2 TYR 56 1HB TYR 56 3.724 1.137 -8.871
411 HB3 TYR 56 2HB TYR 56 2.389 1.115 -7.728
412 HD1 TYR 56 HD2 TYR 56 3.143 0.289 -11.309
413 HD2 TYR 56 HD1 TYR 56 0.934 -0.756 -7.806
414 HE1 TYR 56 HE2 TYR 56 2.325 -1.728 -12.438
415 HE2 TYR 56 HE1 TYR 56 0.111 -2.783 -8.936
416 HH TYR 56 HH TYR 56 -0.245 -3.512 -11.355
417 H VAL 57 H VAL 57 1.201 3.596 -7.263
418 HA VAL 57 HA VAL 57 -1.661 3.162 -7.942
419 HB VAL 57 HB VAL 57 -2.090 3.231 -5.468
420 HG11 VAL 57 1HG1 VAL 57 -1.227 0.958 -4.958
421 HG12 VAL 57 2HG1 VAL 57 -0.139 1.059 -6.346
422 HG13 VAL 57 3HG1 VAL 57 -1.887 1.051 -6.593
423 HG21 VAL 57 3HG2 VAL 57 -0.114 4.536 -4.764
424 HG22 VAL 57 1HG2 VAL 57 0.949 3.200 -5.211
425 HG23 VAL 57 2HG2 VAL 57 -0.192 3.014 -3.874
426 H GLN 58 H GLN 58 -3.162 4.839 -6.936
427 HA GLN 58 HA GLN 58 -2.196 7.528 -7.499
428 HB2 GLN 58 1HB GLN 58 -4.455 6.780 -8.272
429 HB3 GLN 58 2HB GLN 58 -4.961 6.601 -6.595
430 HG2 GLN 58 1HG GLN 58 -4.671 9.015 -6.237
431 HG3 GLN 58 2HG GLN 58 -4.115 9.208 -7.899
432 HE21 GLN 58 2HE2 GLN 58 -5.642 8.875 -9.614
433 HE22 GLN 58 1HE2 GLN 58 -7.336 9.049 -9.329
434 H LEU 59 H LEU 59 -1.510 8.942 -5.962
435 HA LEU 59 HA LEU 59 -1.370 8.047 -3.192
436 HB2 LEU 59 1HB LEU 59 -0.236 10.565 -4.480
437 HB3 LEU 59 2HB LEU 59 0.170 9.938 -2.885
438 HG LEU 59 HG LEU 59 0.828 8.642 -5.562
439 HD11 LEU 59 1HD1 LEU 59 3.165 9.017 -4.941
440 HD12 LEU 59 2HD1 LEU 59 2.659 9.817 -3.449
441 HD13 LEU 59 3HD1 LEU 59 2.275 10.537 -5.015
442 HD21 LEU 59 3HD2 LEU 59 1.347 7.575 -2.764
443 HD22 LEU 59 1HD2 LEU 59 2.015 6.904 -4.255
444 HD23 LEU 59 2HD2 LEU 59 0.278 6.878 -3.984
445 H LEU 60 H LEU 60 -2.309 9.031 -1.455
446 HA LEU 60 HA LEU 60 -4.372 11.108 -1.942
447 HB2 LEU 60 1HB LEU 60 -4.251 8.920 0.168
448 HB3 LEU 60 2HB LEU 60 -5.467 10.187 0.129
449 HG LEU 60 HG LEU 60 -5.074 8.053 -2.005
450 HD11 LEU 60 1HD1 LEU 60 -7.278 8.316 0.067
451 HD12 LEU 60 2HD1 LEU 60 -5.998 7.099 0.053
452 HD13 LEU 60 3HD1 LEU 60 -7.202 7.120 -1.232
453 HD21 LEU 60 3HD2 LEU 60 -7.167 10.248 -1.795
454 HD22 LEU 60 1HD2 LEU 60 -7.202 8.919 -2.957
455 HD23 LEU 60 2HD2 LEU 60 -5.902 10.103 -3.018
Start of MODEL 9
1 H1 MET 1 1H MET 1 2.392 10.725 13.526
2 H2 MET 1 2H MET 1 2.026 12.369 13.648
3 H3 MET 1 3H MET 1 3.509 11.883 13.003
4 HA MET 1 HA MET 1 1.988 12.611 11.277
5 HB2 MET 1 1HB MET 1 3.686 10.873 10.745
6 HB3 MET 1 2HB MET 1 2.584 9.613 11.274
7 HG2 MET 1 1HG MET 1 1.065 10.167 9.408
8 HG3 MET 1 2HG MET 1 2.177 11.427 8.880
9 HE1 MET 1 3HE MET 1 3.048 7.758 10.223
10 HE2 MET 1 1HE MET 1 3.122 6.893 8.691
11 HE3 MET 1 2HE MET 1 1.584 7.548 9.258
12 H SER 2 H SER 2 -0.112 12.701 10.543
13 HA SER 2 HA SER 2 -2.287 11.673 12.037
14 HB2 SER 2 1HB SER 2 -3.678 12.528 10.115
15 HB3 SER 2 2HB SER 2 -2.516 13.716 10.704
16 HG SER 2 HG SER 2 -1.603 13.712 8.817
17 H GLY 3 H GLY 3 -0.832 10.707 8.968
18 HA2 GLY 3 1HA GLY 3 -0.634 8.103 9.012
19 HA3 GLY 3 2HA GLY 3 -2.379 8.212 8.827
20 H ALA 4 H ALA 4 0.714 8.634 7.275
21 HA ALA 4 HA ALA 4 -0.210 9.630 4.750
22 HB1 ALA 4 3HB ALA 4 2.282 7.996 5.396
23 HB2 ALA 4 1HB ALA 4 2.170 9.759 5.417
24 HB3 ALA 4 2HB ALA 4 1.989 8.881 3.898
25 H ARG 5 H ARG 5 -1.896 8.495 3.888
26 HA ARG 5 HA ARG 5 -1.686 5.551 3.595
27 HB2 ARG 5 1HB ARG 5 -4.229 7.227 3.774
28 HB3 ARG 5 2HB ARG 5 -4.152 5.471 3.625
29 HG2 ARG 5 1HG ARG 5 -3.185 5.284 5.860
30 HG3 ARG 5 2HG ARG 5 -3.088 7.044 6.000
31 HD2 ARG 5 1HD ARG 5 -5.603 7.121 5.784
32 HD3 ARG 5 2HD ARG 5 -5.611 5.354 5.860
33 HE ARG 5 HE ARG 5 -4.194 6.264 8.077
34 HH11 ARG 5 1HH1 ARG 5 -7.501 6.469 6.900
35 HH12 ARG 5 2HH1 ARG 5 -8.173 6.622 8.491
36 HH21 ARG 5 1HH2 ARG 5 -5.091 6.478 10.146
37 HH22 ARG 5 2HH2 ARG 5 -6.811 6.626 10.326
38 H CYS 6 H CYS 6 -2.545 4.660 1.694
39 HA CYS 6 HA CYS 6 -3.164 6.395 -0.596
40 HB2 CYS 6 1HB CYS 6 -1.125 4.113 -0.648
41 HB3 CYS 6 2HB CYS 6 -1.670 5.031 -2.053
42 HG CYS 6 HG CYS 6 -0.652 7.312 -0.080
43 H ARG 7 H ARG 7 -4.399 5.264 -2.214
44 HA ARG 7 HA ARG 7 -5.783 2.822 -1.280
45 HB2 ARG 7 1HB ARG 7 -7.113 4.945 -1.723
46 HB3 ARG 7 2HB ARG 7 -6.673 4.807 -3.421
47 HG2 ARG 7 1HG ARG 7 -7.870 2.653 -3.559
48 HG3 ARG 7 2HG ARG 7 -8.254 2.756 -1.837
49 HD2 ARG 7 1HD ARG 7 -9.451 4.966 -2.385
50 HD3 ARG 7 2HD ARG 7 -9.278 4.515 -4.083
51 HE ARG 7 HE ARG 7 -10.883 2.872 -3.818
52 HH11 ARG 7 1HH1 ARG 7 -10.095 4.205 -0.647
53 HH12 ARG 7 2HH1 ARG 7 -11.440 3.448 0.137
54 HH21 ARG 7 1HH2 ARG 7 -12.655 1.904 -2.748
55 HH22 ARG 7 2HH2 ARG 7 -12.885 2.161 -1.050
56 H THR 8 H THR 8 -6.027 1.071 -2.746
57 HA THR 8 HA THR 8 -3.958 0.889 -4.812
58 HB THR 8 HB THR 8 -4.562 -1.550 -4.833
59 HG1 THR 8 HG1 THR 8 -5.975 -2.198 -3.035
60 HG21 THR 8 3HG2 THR 8 -2.794 -0.742 -3.297
61 HG22 THR 8 1HG2 THR 8 -3.698 -2.070 -2.570
62 HG23 THR 8 2HG2 THR 8 -4.011 -0.410 -2.060
63 H LEU 9 H LEU 9 -4.348 0.932 -6.917
64 HA LEU 9 HA LEU 9 -6.766 1.830 -8.046
65 HB2 LEU 9 1HB LEU 9 -4.268 0.624 -9.301
66 HB3 LEU 9 2HB LEU 9 -5.566 1.347 -10.242
67 HG LEU 9 HG LEU 9 -3.983 2.889 -8.141
68 HD11 LEU 9 1HD1 LEU 9 -3.501 2.838 -11.138
69 HD12 LEU 9 2HD1 LEU 9 -2.435 2.176 -9.895
70 HD13 LEU 9 3HD1 LEU 9 -2.718 3.912 -9.974
71 HD21 LEU 9 3HD2 LEU 9 -4.951 4.874 -9.242
72 HD22 LEU 9 1HD2 LEU 9 -6.205 3.807 -8.611
73 HD23 LEU 9 2HD2 LEU 9 -5.857 3.830 -10.342
74 H TYR 10 H TYR 10 -5.083 -1.281 -8.624
75 HA TYR 10 HA TYR 10 -7.679 -2.665 -9.020
76 HB2 TYR 10 1HB TYR 10 -5.174 -2.923 -10.772
77 HB3 TYR 10 2HB TYR 10 -6.587 -3.961 -10.902
78 HD1 TYR 10 HD1 TYR 10 -8.777 -2.997 -11.706
79 HD2 TYR 10 HD2 TYR 10 -5.164 -0.717 -11.777
80 HE1 TYR 10 HE1 TYR 10 -9.829 -1.380 -13.224
81 HE2 TYR 10 HE2 TYR 10 -6.216 0.904 -13.297
82 HH TYR 10 HH TYR 10 -9.539 1.048 -13.805
83 HA PRO 11 HA PRO 11 -5.797 -5.711 -6.285
84 HB2 PRO 11 1HB PRO 11 -6.990 -8.049 -7.009
85 HB3 PRO 11 2HB PRO 11 -7.883 -6.750 -6.201
86 HG2 PRO 11 1HG PRO 11 -7.788 -7.449 -9.134
87 HG3 PRO 11 2HG PRO 11 -9.191 -7.022 -8.130
88 HD2 PRO 11 1HD PRO 11 -7.929 -5.225 -9.781
89 HD3 PRO 11 2HD PRO 11 -8.772 -4.746 -8.299
90 H PHE 12 H PHE 12 -3.644 -5.681 -6.863
91 HA PHE 12 HA PHE 12 -2.689 -7.175 -9.204
92 HB2 PHE 12 1HB PHE 12 -1.124 -5.485 -7.195
93 HB3 PHE 12 2HB PHE 12 -0.491 -6.156 -8.694
94 HD1 PHE 12 HD1 PHE 12 -2.376 -5.517 -10.755
95 HD2 PHE 12 HD2 PHE 12 -1.287 -3.142 -7.370
96 HE1 PHE 12 HE1 PHE 12 -3.011 -3.474 -11.972
97 HE2 PHE 12 HE2 PHE 12 -1.930 -1.107 -8.591
98 HZ PHE 12 HZ PHE 12 -2.791 -1.270 -10.892
99 H SER 13 H SER 13 -2.793 -9.304 -8.768
100 HA SER 13 HA SER 13 -1.856 -10.408 -6.205
101 HB2 SER 13 1HB SER 13 -3.365 -11.743 -8.495
102 HB3 SER 13 2HB SER 13 -2.959 -12.501 -6.950
103 HG SER 13 HG SER 13 -4.238 -10.843 -5.937
104 H GLY 14 H GLY 14 0.307 -9.770 -6.797
105 HA2 GLY 14 1HA GLY 14 1.714 -11.930 -8.261
106 HA3 GLY 14 2HA GLY 14 2.148 -10.242 -8.503
107 H GLU 15 H GLU 15 3.838 -12.335 -7.511
108 HA GLU 15 HA GLU 15 5.265 -12.969 -5.893
109 HB2 GLU 15 1HB GLU 15 4.925 -10.055 -5.111
110 HB3 GLU 15 2HB GLU 15 6.061 -11.119 -4.299
111 HG2 GLU 15 1HG GLU 15 7.193 -9.747 -5.965
112 HG3 GLU 15 2HG GLU 15 7.294 -11.457 -6.379
113 H ARG 16 H ARG 16 3.536 -14.371 -5.240
114 HA ARG 16 HA ARG 16 2.080 -13.871 -2.760
115 HB2 ARG 16 1HB ARG 16 2.279 -16.304 -4.593
116 HB3 ARG 16 2HB ARG 16 1.244 -16.231 -3.167
117 HG2 ARG 16 1HG ARG 16 -0.118 -14.488 -4.148
118 HG3 ARG 16 2HG ARG 16 1.001 -14.303 -5.502
119 HD2 ARG 16 1HD ARG 16 -0.569 -16.840 -4.924
120 HD3 ARG 16 2HD ARG 16 -1.084 -15.586 -6.057
121 HE ARG 16 HE ARG 16 1.569 -16.677 -6.518
122 HH11 ARG 16 1HH1 ARG 16 -1.828 -16.970 -7.342
123 HH12 ARG 16 2HH1 ARG 16 -1.515 -17.728 -8.868
124 HH21 ARG 16 1HH2 ARG 16 1.963 -17.670 -8.524
125 HH22 ARG 16 2HH2 ARG 16 0.629 -18.135 -9.528
126 H HIS 17 H HIS 17 4.896 -13.727 -2.560
127 HA HIS 17 HA HIS 17 5.676 -15.526 -0.530
128 HB2 HIS 17 1HB HIS 17 7.448 -16.756 -1.767
129 HB3 HIS 17 2HB HIS 17 5.863 -17.104 -2.454
130 HD2 HIS 17 HD2 HIS 17 5.388 -15.932 -5.035
131 HE1 HIS 17 HE1 HIS 17 9.470 -15.019 -5.678
132 HE2 HIS 17 HE2 HIS 17 7.192 -15.230 -6.764
133 H GLY 18 H GLY 18 7.871 -15.024 0.214
134 HA2 GLY 18 1HA GLY 18 9.698 -13.718 0.626
135 HA3 GLY 18 2HA GLY 18 9.572 -13.118 -1.022
136 H GLN 19 H GLN 19 9.371 -10.977 -1.111
137 HA GLN 19 HA GLN 19 8.562 -9.431 1.255
138 HB2 GLN 19 1HB GLN 19 9.967 -8.598 -1.314
139 HB3 GLN 19 2HB GLN 19 9.641 -7.525 0.049
140 HG2 GLN 19 1HG GLN 19 11.116 -8.798 1.486
141 HG3 GLN 19 2HG GLN 19 11.319 -10.045 0.255
142 HE21 GLN 19 2HE2 GLN 19 13.546 -9.832 0.230
143 HE22 GLN 19 1HE2 GLN 19 14.347 -8.454 -0.430
144 H GLY 20 H GLY 20 6.864 -10.683 -1.184
145 HA2 GLY 20 1HA GLY 20 5.514 -8.420 -2.341
146 HA3 GLY 20 2HA GLY 20 5.079 -10.113 -2.512
147 H LEU 21 H LEU 21 3.887 -7.276 -1.441
148 HA LEU 21 HA LEU 21 2.170 -8.502 0.630
149 HB2 LEU 21 1HB LEU 21 3.243 -6.408 1.342
150 HB3 LEU 21 2HB LEU 21 2.647 -5.578 -0.082
151 HG LEU 21 HG LEU 21 0.308 -5.831 0.750
152 HD11 LEU 21 1HD1 LEU 21 -0.143 -6.572 3.037
153 HD12 LEU 21 2HD1 LEU 21 1.550 -7.017 3.250
154 HD13 LEU 21 3HD1 LEU 21 0.549 -7.875 2.075
155 HD21 LEU 21 3HD2 LEU 21 2.172 -4.472 2.733
156 HD22 LEU 21 1HD2 LEU 21 0.438 -4.170 2.570
157 HD23 LEU 21 2HD2 LEU 21 1.530 -3.761 1.249
158 H ARG 22 H ARG 22 0.302 -9.252 -0.070
159 HA ARG 22 HA ARG 22 -0.836 -8.548 -2.670
160 HB2 ARG 22 1HB ARG 22 -1.619 -10.609 -0.565
161 HB3 ARG 22 2HB ARG 22 -2.445 -10.417 -2.113
162 HG2 ARG 22 1HG ARG 22 -0.501 -11.153 -3.337
163 HG3 ARG 22 2HG ARG 22 0.516 -11.072 -1.891
164 HD2 ARG 22 1HD ARG 22 -1.827 -12.985 -2.272
165 HD3 ARG 22 2HD ARG 22 -0.125 -13.398 -2.488
166 HE ARG 22 HE ARG 22 0.238 -12.988 -0.122
167 HH11 ARG 22 1HH1 ARG 22 -3.133 -13.280 -1.065
168 HH12 ARG 22 2HH1 ARG 22 -3.666 -13.714 0.525
169 HH21 ARG 22 1HH2 ARG 22 -0.499 -13.550 1.990
170 HH22 ARG 22 2HH2 ARG 22 -2.181 -13.888 2.245
171 H PHE 23 H PHE 23 -2.964 -7.786 -2.927
172 HA PHE 23 HA PHE 23 -4.584 -6.871 -0.727
173 HB2 PHE 23 1HB PHE 23 -4.468 -4.421 -1.501
174 HB3 PHE 23 2HB PHE 23 -3.060 -5.026 -0.642
175 HD1 PHE 23 HD2 PHE 23 -4.334 -4.472 -4.140
176 HD2 PHE 23 HD1 PHE 23 -0.912 -4.722 -1.580
177 HE1 PHE 23 HE2 PHE 23 -2.891 -3.746 -5.984
178 HE2 PHE 23 HE1 PHE 23 0.524 -3.995 -3.442
179 HZ PHE 23 HZ PHE 23 -0.470 -3.505 -5.640
180 H ALA 24 H ALA 24 -6.642 -6.208 -1.363
181 HA ALA 24 HA ALA 24 -7.558 -6.868 -4.067
182 HB1 ALA 24 3HB ALA 24 -8.831 -7.714 -2.130
183 HB2 ALA 24 1HB ALA 24 -9.820 -6.625 -3.105
184 HB3 ALA 24 2HB ALA 24 -9.121 -6.061 -1.583
185 H ALA 25 H ALA 25 -9.214 -5.314 -5.059
186 HA ALA 25 HA ALA 25 -8.164 -2.745 -5.562
187 HB1 ALA 25 3HB ALA 25 -9.673 -3.921 -7.119
188 HB2 ALA 25 1HB ALA 25 -10.273 -2.309 -6.750
189 HB3 ALA 25 2HB ALA 25 -11.010 -3.726 -5.994
190 H GLY 26 H GLY 26 -8.228 -0.936 -4.357
191 HA2 GLY 26 1HA GLY 26 -9.376 0.857 -3.340
192 HA3 GLY 26 2HA GLY 26 -10.628 -0.241 -2.789
193 H GLU 27 H GLU 27 -7.873 -1.832 -2.057
194 HA GLU 27 HA GLU 27 -7.951 -1.596 0.704
195 HB2 GLU 27 1HB GLU 27 -5.797 -2.532 -1.210
196 HB3 GLU 27 2HB GLU 27 -5.420 -2.409 0.505
197 HG2 GLU 27 1HG GLU 27 -7.811 -3.988 -0.459
198 HG3 GLU 27 2HG GLU 27 -6.194 -4.686 -0.435
199 H LEU 28 H LEU 28 -7.528 0.016 2.015
200 HA LEU 28 HA LEU 28 -5.879 2.285 1.260
201 HB2 LEU 28 1HB LEU 28 -7.320 1.647 3.870
202 HB3 LEU 28 2HB LEU 28 -6.547 3.184 3.486
203 HG LEU 28 HG LEU 28 -8.930 2.007 1.983
204 HD11 LEU 28 1HD1 LEU 28 -10.305 3.722 3.046
205 HD12 LEU 28 2HD1 LEU 28 -8.931 4.258 4.015
206 HD13 LEU 28 3HD1 LEU 28 -9.594 2.638 4.240
207 HD21 LEU 28 3HD2 LEU 28 -9.114 4.193 0.875
208 HD22 LEU 28 1HD2 LEU 28 -7.560 3.434 0.529
209 HD23 LEU 28 2HD2 LEU 28 -7.655 4.758 1.695
210 H ILE 29 H ILE 29 -3.807 1.701 1.146
211 HA ILE 29 HA ILE 29 -2.479 0.005 3.108
212 HB ILE 29 HB ILE 29 -1.379 1.371 0.598
213 HG12 ILE 29 1HG1 ILE 29 -3.112 -0.301 0.023
214 HG13 ILE 29 2HG1 ILE 29 -1.527 -0.856 -0.495
215 HG21 ILE 29 1HG2 ILE 29 0.427 0.907 2.187
216 HG22 ILE 29 2HG2 ILE 29 0.553 -0.174 0.801
217 HG23 ILE 29 3HG2 ILE 29 -0.089 -0.777 2.332
218 HD11 ILE 29 3HD1 ILE 29 -2.845 -2.668 0.420
219 HD12 ILE 29 1HD1 ILE 29 -3.031 -1.802 1.944
220 HD13 ILE 29 2HD1 ILE 29 -1.437 -2.367 1.436
221 H THR 30 H THR 30 -1.841 0.944 4.920
222 HA THR 30 HA THR 30 -1.376 3.817 5.116
223 HB THR 30 HB THR 30 -1.389 1.666 7.290
224 HG1 THR 30 HG1 THR 30 -3.419 2.051 6.138
225 HG21 THR 30 3HG2 THR 30 -0.125 3.682 7.984
226 HG22 THR 30 1HG2 THR 30 -1.646 3.558 8.869
227 HG23 THR 30 2HG2 THR 30 -1.492 4.704 7.534
228 H LEU 31 H LEU 31 0.582 4.406 4.416
229 HA LEU 31 HA LEU 31 3.001 2.942 4.549
230 HB2 LEU 31 1HB LEU 31 2.705 5.974 4.392
231 HB3 LEU 31 2HB LEU 31 4.101 5.023 3.891
232 HG LEU 31 HG LEU 31 1.358 4.934 2.547
233 HD11 LEU 31 1HD1 LEU 31 3.893 6.320 1.615
234 HD12 LEU 31 2HD1 LEU 31 2.424 7.104 2.204
235 HD13 LEU 31 3HD1 LEU 31 2.384 6.183 0.704
236 HD21 LEU 31 3HD2 LEU 31 2.499 3.658 0.753
237 HD22 LEU 31 1HD2 LEU 31 2.539 2.806 2.296
238 HD23 LEU 31 2HD2 LEU 31 3.982 3.634 1.710
239 H LEU 32 H LEU 32 4.548 2.837 6.104
240 HA LEU 32 HA LEU 32 3.863 3.517 8.818
241 HB2 LEU 32 1HB LEU 32 6.405 2.342 7.624
242 HB3 LEU 32 2HB LEU 32 6.029 2.398 9.347
243 HG LEU 32 HG LEU 32 4.423 0.850 7.256
244 HD11 LEU 32 1HD1 LEU 32 6.401 -0.199 9.303
245 HD12 LEU 32 2HD1 LEU 32 6.620 -0.150 7.547
246 HD13 LEU 32 3HD1 LEU 32 5.370 -1.174 8.248
247 HD21 LEU 32 3HD2 LEU 32 3.288 -0.177 9.213
248 HD22 LEU 32 1HD2 LEU 32 3.000 1.558 9.106
249 HD23 LEU 32 2HD2 LEU 32 4.149 0.927 10.285
250 H GLN 33 H GLN 33 6.427 4.443 6.551
251 HA GLN 33 HA GLN 33 6.580 7.143 7.693
252 HB2 GLN 33 1HB GLN 33 9.012 5.358 7.161
253 HB3 GLN 33 2HB GLN 33 9.098 7.088 7.498
254 HG2 GLN 33 1HG GLN 33 8.156 6.696 9.743
255 HG3 GLN 33 2HG GLN 33 8.048 4.971 9.404
256 HE21 GLN 33 2HE2 GLN 33 9.960 3.742 9.308
257 HE22 GLN 33 1HE2 GLN 33 11.437 4.310 10.006
258 H VAL 34 H VAL 34 7.455 8.667 6.144
259 HA VAL 34 HA VAL 34 7.630 7.707 3.346
260 HB VAL 34 HB VAL 34 6.904 10.084 2.665
261 HG11 VAL 34 1HG1 VAL 34 4.824 8.333 4.048
262 HG12 VAL 34 2HG1 VAL 34 5.408 8.145 2.393
263 HG13 VAL 34 3HG1 VAL 34 4.482 9.578 2.839
264 HG21 VAL 34 3HG2 VAL 34 7.195 11.218 4.849
265 HG22 VAL 34 1HG2 VAL 34 5.907 10.231 5.546
266 HG23 VAL 34 2HG2 VAL 34 5.538 11.396 4.269
267 HA PRO 35 HA PRO 35 11.810 9.465 4.366
268 HB2 PRO 35 1HB PRO 35 12.830 7.235 2.689
269 HB3 PRO 35 2HB PRO 35 13.208 7.629 4.371
270 HG2 PRO 35 1HG PRO 35 11.741 5.448 3.714
271 HG3 PRO 35 2HG PRO 35 11.448 6.361 5.211
272 HD2 PRO 35 1HD PRO 35 9.959 6.523 2.576
273 HD3 PRO 35 2HD PRO 35 9.308 6.406 4.230
274 H ASP 36 H ASP 36 13.549 10.103 2.757
275 HA ASP 36 HA ASP 36 12.322 11.643 0.688
276 HB2 ASP 36 1HB ASP 36 14.232 12.510 2.029
277 HB3 ASP 36 2HB ASP 36 15.283 11.262 1.355
278 H GLY 37 H GLY 37 11.501 10.336 -0.905
279 HA2 GLY 37 1HA GLY 37 12.771 9.751 -3.193
280 HA3 GLY 37 2HA GLY 37 13.089 8.294 -2.253
281 H GLY 38 H GLY 38 11.785 7.848 -4.473
282 HA2 GLY 38 1HA GLY 38 8.874 7.972 -4.131
283 HA3 GLY 38 2HA GLY 38 9.758 7.465 -5.561
284 H TRP 39 H TRP 39 10.590 6.166 -2.446
285 HA TRP 39 HA TRP 39 9.166 3.614 -2.956
286 HB2 TRP 39 1HB TRP 39 12.025 4.027 -1.938
287 HB3 TRP 39 2HB TRP 39 11.167 2.495 -1.810
288 HD1 TRP 39 HD1 TRP 39 12.765 4.807 -4.449
289 HE1 TRP 39 HE1 TRP 39 13.200 3.426 -6.571
290 HE3 TRP 39 HE3 TRP 39 10.431 0.459 -3.084
291 HZ2 TRP 39 HZ2 TRP 39 12.642 0.841 -7.544
292 HZ3 TRP 39 HZ3 TRP 39 10.437 -1.429 -4.670
293 HH2 TRP 39 HH2 TRP 39 11.521 -1.239 -6.858
294 H TRP 40 H TRP 40 7.697 3.381 -1.365
295 HA TRP 40 HA TRP 40 8.372 4.181 1.411
296 HB2 TRP 40 1HB TRP 40 5.633 4.489 0.083
297 HB3 TRP 40 2HB TRP 40 6.023 4.891 1.753
298 HD1 TRP 40 HD1 TRP 40 8.579 6.687 1.410
299 HE1 TRP 40 HE1 TRP 40 8.430 8.984 0.271
300 HE3 TRP 40 HE3 TRP 40 4.269 5.987 -1.259
301 HZ2 TRP 40 HZ2 TRP 40 6.717 10.330 -1.516
302 HZ3 TRP 40 HZ3 TRP 40 3.433 7.837 -2.658
303 HH2 TRP 40 HH2 TRP 40 4.634 9.968 -2.782
304 H GLU 41 H GLU 41 7.853 2.692 2.950
305 HA GLU 41 HA GLU 41 6.827 0.089 2.083
306 HB2 GLU 41 1HB GLU 41 8.859 0.089 3.477
307 HB3 GLU 41 2HB GLU 41 8.022 0.986 4.743
308 HG2 GLU 41 1HG GLU 41 6.502 -0.918 5.107
309 HG3 GLU 41 2HG GLU 41 7.285 -1.807 3.799
310 H GLY 42 H GLY 42 4.750 -0.315 2.248
311 HA2 GLY 42 1HA GLY 42 3.027 1.170 4.144
312 HA3 GLY 42 2HA GLY 42 2.511 0.485 2.611
313 H GLU 43 H GLU 43 1.900 0.060 5.616
314 HA GLU 43 HA GLU 43 2.111 -2.877 5.679
315 HB2 GLU 43 1HB GLU 43 2.984 -1.538 7.618
316 HB3 GLU 43 2HB GLU 43 1.351 -0.956 7.920
317 HG2 GLU 43 1HG GLU 43 0.603 -3.219 8.447
318 HG3 GLU 43 2HG GLU 43 2.175 -3.881 8.006
319 H LYS 44 H LYS 44 0.369 -4.104 5.765
320 HA LYS 44 HA LYS 44 -2.271 -3.004 5.129
321 HB2 LYS 44 1HB LYS 44 -1.247 -4.774 3.722
322 HB3 LYS 44 2HB LYS 44 -1.141 -5.843 5.115
323 HG2 LYS 44 1HG LYS 44 -3.602 -5.960 5.217
324 HG3 LYS 44 2HG LYS 44 -3.716 -4.837 3.853
325 HD2 LYS 44 1HD LYS 44 -2.609 -6.451 2.380
326 HD3 LYS 44 2HD LYS 44 -2.345 -7.556 3.732
327 HE2 LYS 44 1HE LYS 44 -4.749 -7.937 3.931
328 HE3 LYS 44 2HE LYS 44 -5.076 -6.730 2.684
329 HZ1 LYS 44 3HZ LYS 44 -5.182 -8.911 1.750
330 HZ2 LYS 44 1HZ LYS 44 -3.632 -9.296 2.314
331 HZ3 LYS 44 2HZ LYS 44 -3.830 -8.116 1.124
332 H GLU 45 H GLU 45 -4.167 -3.841 6.293
333 HA GLU 45 HA GLU 45 -4.145 -3.784 9.092
334 HB2 GLU 45 1HB GLU 45 -6.490 -4.648 8.903
335 HB3 GLU 45 2HB GLU 45 -6.150 -3.346 7.767
336 HG2 GLU 45 1HG GLU 45 -5.806 -5.043 5.965
337 HG3 GLU 45 2HG GLU 45 -6.250 -6.312 7.102
338 H ASP 46 H ASP 46 -3.592 -6.424 6.926
339 HA ASP 46 HA ASP 46 -3.931 -8.699 8.507
340 HB2 ASP 46 1HB ASP 46 -3.653 -8.872 6.116
341 HB3 ASP 46 2HB ASP 46 -2.096 -8.052 6.163
342 H GLY 47 H GLY 47 -1.221 -6.435 8.292
343 HA2 GLY 47 1HA GLY 47 0.219 -6.084 10.220
344 HA3 GLY 47 2HA GLY 47 0.181 -7.810 10.527
345 H LEU 48 H LEU 48 0.451 -8.214 7.472
346 HA LEU 48 HA LEU 48 3.337 -8.162 7.313
347 HB2 LEU 48 1HB LEU 48 1.751 -9.906 6.225
348 HB3 LEU 48 2HB LEU 48 1.440 -8.711 4.989
349 HG LEU 48 HG LEU 48 3.138 -10.545 4.425
350 HD11 LEU 48 1HD1 LEU 48 4.123 -7.702 4.085
351 HD12 LEU 48 2HD1 LEU 48 2.991 -8.555 3.035
352 HD13 LEU 48 3HD1 LEU 48 4.657 -9.111 3.159
353 HD21 LEU 48 3HD2 LEU 48 5.439 -10.318 5.221
354 HD22 LEU 48 1HD2 LEU 48 4.330 -10.598 6.565
355 HD23 LEU 48 2HD2 LEU 48 4.968 -8.977 6.269
356 H ARG 49 H ARG 49 4.582 -6.698 6.339
357 HA ARG 49 HA ARG 49 3.376 -4.337 5.014
358 HB2 ARG 49 1HB ARG 49 5.311 -3.032 5.973
359 HB3 ARG 49 2HB ARG 49 4.203 -3.659 7.191
360 HG2 ARG 49 1HG ARG 49 5.775 -5.484 7.707
361 HG3 ARG 49 2HG ARG 49 6.883 -4.889 6.466
362 HD2 ARG 49 1HD ARG 49 7.149 -2.780 7.706
363 HD3 ARG 49 2HD ARG 49 6.022 -3.353 8.941
364 HE ARG 49 HE ARG 49 7.770 -5.242 9.209
365 HH11 ARG 49 1HH1 ARG 49 8.623 -1.932 8.366
366 HH12 ARG 49 2HH1 ARG 49 10.111 -1.968 9.253
367 HH21 ARG 49 1HH2 ARG 49 9.722 -5.254 10.381
368 HH22 ARG 49 2HH2 ARG 49 10.718 -3.834 10.404
369 H GLY 50 H GLY 50 4.319 -3.685 3.102
370 HA2 GLY 50 1HA GLY 50 6.759 -5.089 2.150
371 HA3 GLY 50 2HA GLY 50 5.322 -4.960 1.139
372 H TRP 51 H TRP 51 8.059 -3.959 0.801
373 HA TRP 51 HA TRP 51 7.841 -1.072 0.655
374 HB2 TRP 51 1HB TRP 51 9.947 -3.124 -0.121
375 HB3 TRP 51 2HB TRP 51 10.036 -1.510 -0.813
376 HD1 TRP 51 HD1 TRP 51 10.510 -3.336 2.537
377 HE1 TRP 51 HE1 TRP 51 11.693 -1.720 4.153
378 HE3 TRP 51 HE3 TRP 51 10.263 0.914 -0.277
379 HZ2 TRP 51 HZ2 TRP 51 12.422 1.013 4.234
380 HZ3 TRP 51 HZ3 TRP 51 11.227 2.998 0.640
381 HH2 TRP 51 HH2 TRP 51 12.279 3.044 2.850
382 H PHE 52 H PHE 52 7.018 0.037 -1.041
383 HA PHE 52 HA PHE 52 6.934 -1.202 -3.700
384 HB2 PHE 52 1HB PHE 52 4.496 0.012 -2.307
385 HB3 PHE 52 2HB PHE 52 4.560 -0.271 -4.041
386 HD1 PHE 52 HD1 PHE 52 5.571 -2.857 -4.498
387 HD2 PHE 52 HD2 PHE 52 3.137 -1.561 -1.228
388 HE1 PHE 52 HE1 PHE 52 4.738 -5.153 -4.203
389 HE2 PHE 52 HE2 PHE 52 2.314 -3.858 -0.940
390 HZ PHE 52 HZ PHE 52 3.111 -5.654 -2.423
391 HA PRO 53 HA PRO 53 8.014 2.953 -5.181
392 HB2 PRO 53 1HB PRO 53 6.504 2.221 -7.671
393 HB3 PRO 53 2HB PRO 53 8.194 2.710 -7.484
394 HG2 PRO 53 1HG PRO 53 7.561 0.167 -8.033
395 HG3 PRO 53 2HG PRO 53 8.897 0.550 -6.924
396 HD2 PRO 53 1HD PRO 53 6.067 -0.288 -6.261
397 HD3 PRO 53 2HD PRO 53 7.603 -0.864 -5.570
398 H ALA 54 H ALA 54 6.955 4.933 -5.811
399 HA ALA 54 HA ALA 54 4.553 5.453 -4.388
400 HB1 ALA 54 3HB ALA 54 6.368 7.114 -4.607
401 HB2 ALA 54 1HB ALA 54 4.838 7.776 -5.189
402 HB3 ALA 54 2HB ALA 54 6.065 7.237 -6.341
403 H SER 55 H SER 55 5.273 4.988 -7.811
404 HA SER 55 HA SER 55 2.712 5.908 -8.808
405 HB2 SER 55 1HB SER 55 4.818 6.199 -10.118
406 HB3 SER 55 2HB SER 55 4.966 4.449 -10.263
407 HG SER 55 HG SER 55 2.526 5.162 -11.100
408 H TYR 56 H TYR 56 3.863 2.954 -7.520
409 HA TYR 56 HA TYR 56 2.280 1.080 -9.013
410 HB2 TYR 56 1HB TYR 56 4.372 0.490 -7.772
411 HB3 TYR 56 2HB TYR 56 3.553 0.809 -6.249
412 HD1 TYR 56 HD2 TYR 56 3.323 -1.361 -9.313
413 HD2 TYR 56 HD1 TYR 56 2.431 -0.991 -5.147
414 HE1 TYR 56 HE2 TYR 56 2.584 -3.704 -9.259
415 HE2 TYR 56 HE1 TYR 56 1.690 -3.330 -5.100
416 HH TYR 56 HH TYR 56 0.903 -5.044 -6.573
417 H VAL 57 H VAL 57 1.778 3.114 -6.230
418 HA VAL 57 HA VAL 57 -0.966 2.077 -5.803
419 HB VAL 57 HB VAL 57 -0.859 3.114 -3.526
420 HG11 VAL 57 1HG1 VAL 57 0.640 1.434 -2.478
421 HG12 VAL 57 2HG1 VAL 57 1.365 1.095 -4.051
422 HG13 VAL 57 3HG1 VAL 57 -0.337 0.717 -3.766
423 HG21 VAL 57 3HG2 VAL 57 0.817 4.883 -3.961
424 HG22 VAL 57 1HG2 VAL 57 2.077 3.663 -4.171
425 HG23 VAL 57 2HG2 VAL 57 1.318 3.889 -2.591
426 H GLN 58 H GLN 58 -2.416 3.913 -4.906
427 HA GLN 58 HA GLN 58 -2.144 6.339 -6.596
428 HB2 GLN 58 1HB GLN 58 -4.020 4.859 -7.244
429 HB3 GLN 58 2HB GLN 58 -4.645 4.890 -5.608
430 HG2 GLN 58 1HG GLN 58 -5.960 6.315 -7.099
431 HG3 GLN 58 2HG GLN 58 -5.189 7.264 -5.827
432 HE21 GLN 58 2HE2 GLN 58 -3.684 8.808 -6.383
433 HE22 GLN 58 1HE2 GLN 58 -3.343 9.263 -8.014
434 H LEU 59 H LEU 59 -1.918 8.195 -5.498
435 HA LEU 59 HA LEU 59 -2.037 8.399 -2.651
436 HB2 LEU 59 1HB LEU 59 -1.937 10.630 -4.732
437 HB3 LEU 59 2HB LEU 59 -1.552 10.793 -3.022
438 HG LEU 59 HG LEU 59 0.039 9.146 -5.046
439 HD11 LEU 59 1HD1 LEU 59 0.319 11.546 -5.413
440 HD12 LEU 59 2HD1 LEU 59 1.800 10.834 -4.782
441 HD13 LEU 59 3HD1 LEU 59 0.755 11.782 -3.718
442 HD21 LEU 59 3HD2 LEU 59 0.622 9.644 -2.098
443 HD22 LEU 59 1HD2 LEU 59 1.696 8.827 -3.239
444 HD23 LEU 59 2HD2 LEU 59 0.143 8.109 -2.825
445 H LEU 60 H LEU 60 -3.630 9.320 -1.337
446 HA LEU 60 HA LEU 60 -6.334 9.159 -2.194
447 HB2 LEU 60 1HB LEU 60 -5.125 10.261 0.367
448 HB3 LEU 60 2HB LEU 60 -6.855 10.104 0.105
449 HG LEU 60 HG LEU 60 -4.852 7.806 0.247
450 HD11 LEU 60 1HD1 LEU 60 -6.034 7.179 2.313
451 HD12 LEU 60 2HD1 LEU 60 -7.046 8.619 2.184
452 HD13 LEU 60 3HD1 LEU 60 -5.307 8.779 2.441
453 HD21 LEU 60 3HD2 LEU 60 -6.805 6.302 0.113
454 HD22 LEU 60 1HD2 LEU 60 -6.614 7.255 -1.358
455 HD23 LEU 60 2HD2 LEU 60 -7.860 7.688 -0.183
Start of MODEL 10
1 H1 MET 1 1H MET 1 -0.687 7.924 12.697
2 H2 MET 1 2H MET 1 -1.103 7.560 14.291
3 H3 MET 1 3H MET 1 -1.703 8.959 13.563
4 HA MET 1 HA MET 1 -2.316 6.183 12.764
5 HB2 MET 1 1HB MET 1 -4.584 6.600 13.645
6 HB3 MET 1 2HB MET 1 -3.386 6.832 14.911
7 HG2 MET 1 1HG MET 1 -4.771 9.046 13.369
8 HG3 MET 1 2HG MET 1 -5.153 8.541 15.018
9 HE1 MET 1 3HE MET 1 -4.467 11.612 14.125
10 HE2 MET 1 1HE MET 1 -3.458 12.095 15.487
11 HE3 MET 1 2HE MET 1 -4.917 11.142 15.766
12 H SER 2 H SER 2 -2.532 9.631 12.082
13 HA SER 2 HA SER 2 -4.124 9.164 9.631
14 HB2 SER 2 1HB SER 2 -4.649 11.625 9.862
15 HB3 SER 2 2HB SER 2 -5.210 10.655 11.227
16 HG SER 2 HG SER 2 -4.101 12.642 11.777
17 H GLY 3 H GLY 3 -3.635 11.013 7.948
18 HA2 GLY 3 1HA GLY 3 -2.175 12.419 6.780
19 HA3 GLY 3 2HA GLY 3 -0.853 11.929 7.824
20 H ALA 4 H ALA 4 -0.400 9.458 7.595
21 HA ALA 4 HA ALA 4 0.564 9.119 4.894
22 HB1 ALA 4 3HB ALA 4 1.997 8.641 6.825
23 HB2 ALA 4 1HB ALA 4 1.786 7.205 5.820
24 HB3 ALA 4 2HB ALA 4 0.900 7.358 7.338
25 H ARG 5 H ARG 5 -1.450 8.868 3.789
26 HA ARG 5 HA ARG 5 -2.567 6.115 3.857
27 HB2 ARG 5 1HB ARG 5 -4.075 8.690 3.203
28 HB3 ARG 5 2HB ARG 5 -4.740 7.065 3.071
29 HG2 ARG 5 1HG ARG 5 -4.623 6.796 5.501
30 HG3 ARG 5 2HG ARG 5 -3.866 8.387 5.669
31 HD2 ARG 5 1HD ARG 5 -6.647 7.885 4.518
32 HD3 ARG 5 2HD ARG 5 -6.316 8.399 6.176
33 HE ARG 5 HE ARG 5 -5.066 10.261 4.543
34 HH11 ARG 5 1HH1 ARG 5 -8.398 9.199 4.918
35 HH12 ARG 5 2HH1 ARG 5 -9.044 10.774 4.603
36 HH21 ARG 5 1HH2 ARG 5 -5.923 12.291 4.159
37 HH22 ARG 5 2HH2 ARG 5 -7.639 12.536 4.186
38 H CYS 6 H CYS 6 -2.382 5.071 1.953
39 HA CYS 6 HA CYS 6 -2.781 6.546 -0.562
40 HB2 CYS 6 1HB CYS 6 -0.578 4.503 -0.076
41 HB3 CYS 6 2HB CYS 6 -1.134 4.961 -1.686
42 HG CYS 6 HG CYS 6 -0.134 7.422 0.387
43 H ARG 7 H ARG 7 -3.973 5.369 -2.079
44 HA ARG 7 HA ARG 7 -5.248 2.904 -1.095
45 HB2 ARG 7 1HB ARG 7 -6.779 4.813 -1.610
46 HB3 ARG 7 2HB ARG 7 -6.204 4.813 -3.278
47 HG2 ARG 7 1HG ARG 7 -7.071 2.504 -3.578
48 HG3 ARG 7 2HG ARG 7 -7.636 2.501 -1.908
49 HD2 ARG 7 1HD ARG 7 -9.496 2.907 -3.403
50 HD3 ARG 7 2HD ARG 7 -9.183 4.365 -2.460
51 HE ARG 7 HE ARG 7 -7.780 4.873 -4.668
52 HH11 ARG 7 1HH1 ARG 7 -11.073 3.669 -4.378
53 HH12 ARG 7 2HH1 ARG 7 -11.604 4.452 -5.830
54 HH21 ARG 7 1HH2 ARG 7 -8.482 5.878 -6.551
55 HH22 ARG 7 2HH2 ARG 7 -10.125 5.690 -7.080
56 H THR 8 H THR 8 -5.122 1.089 -2.222
57 HA THR 8 HA THR 8 -3.157 0.683 -4.232
58 HB THR 8 HB THR 8 -4.098 -1.676 -4.186
59 HG1 THR 8 HG1 THR 8 -5.700 -1.965 -2.401
60 HG21 THR 8 3HG2 THR 8 -2.335 -1.008 -2.572
61 HG22 THR 8 1HG2 THR 8 -3.456 -2.159 -1.848
62 HG23 THR 8 2HG2 THR 8 -3.577 -0.444 -1.448
63 H LEU 9 H LEU 9 -3.391 1.071 -6.338
64 HA LEU 9 HA LEU 9 -5.816 1.916 -7.564
65 HB2 LEU 9 1HB LEU 9 -3.124 1.128 -8.747
66 HB3 LEU 9 2HB LEU 9 -4.423 1.866 -9.676
67 HG LEU 9 HG LEU 9 -3.009 3.187 -7.315
68 HD11 LEU 9 1HD1 LEU 9 -1.957 4.659 -8.972
69 HD12 LEU 9 2HD1 LEU 9 -2.673 3.724 -10.287
70 HD13 LEU 9 3HD1 LEU 9 -1.485 2.979 -9.213
71 HD21 LEU 9 3HD2 LEU 9 -5.328 3.922 -7.547
72 HD22 LEU 9 1HD2 LEU 9 -5.064 4.305 -9.250
73 HD23 LEU 9 2HD2 LEU 9 -4.217 5.212 -7.993
74 H TYR 10 H TYR 10 -3.777 -0.984 -8.122
75 HA TYR 10 HA TYR 10 -6.163 -2.556 -8.903
76 HB2 TYR 10 1HB TYR 10 -3.505 -2.687 -10.434
77 HB3 TYR 10 2HB TYR 10 -5.007 -3.506 -10.848
78 HD1 TYR 10 HD2 TYR 10 -7.045 -2.034 -11.516
79 HD2 TYR 10 HD1 TYR 10 -3.051 -0.520 -11.325
80 HE1 TYR 10 HE2 TYR 10 -7.713 -0.088 -12.870
81 HE2 TYR 10 HE1 TYR 10 -3.717 1.428 -12.667
82 HH TYR 10 HH TYR 10 -6.908 2.316 -13.156
83 HA PRO 11 HA PRO 11 -4.268 -5.495 -6.096
84 HB2 PRO 11 1HB PRO 11 -5.190 -7.915 -6.960
85 HB3 PRO 11 2HB PRO 11 -6.260 -6.705 -6.227
86 HG2 PRO 11 1HG PRO 11 -5.798 -7.307 -9.152
87 HG3 PRO 11 2HG PRO 11 -7.335 -7.061 -8.294
88 HD2 PRO 11 1HD PRO 11 -6.142 -5.081 -9.750
89 HD3 PRO 11 2HD PRO 11 -7.118 -4.739 -8.305
90 H PHE 12 H PHE 12 -2.079 -5.013 -6.760
91 HA PHE 12 HA PHE 12 -0.781 -6.809 -8.678
92 HB2 PHE 12 1HB PHE 12 0.395 -4.555 -6.996
93 HB3 PHE 12 2HB PHE 12 1.257 -5.462 -8.233
94 HD1 PHE 12 HD2 PHE 12 0.225 -5.379 -10.653
95 HD2 PHE 12 HD1 PHE 12 -0.647 -2.515 -7.594
96 HE1 PHE 12 HE2 PHE 12 -0.463 -3.747 -12.368
97 HE2 PHE 12 HE1 PHE 12 -1.331 -0.893 -9.315
98 HZ PHE 12 HZ PHE 12 -1.233 -1.506 -11.701
99 H SER 13 H SER 13 -0.671 -8.787 -7.787
100 HA SER 13 HA SER 13 1.241 -9.298 -5.710
101 HB2 SER 13 1HB SER 13 -0.803 -8.859 -4.309
102 HB3 SER 13 2HB SER 13 -1.651 -10.154 -5.160
103 HG SER 13 HG SER 13 0.766 -10.475 -3.685
104 H GLY 14 H GLY 14 2.207 -10.261 -7.525
105 HA2 GLY 14 1HA GLY 14 1.011 -12.616 -8.780
106 HA3 GLY 14 2HA GLY 14 2.600 -11.945 -9.094
107 H GLU 15 H GLU 15 2.449 -12.034 -5.864
108 HA GLU 15 HA GLU 15 3.381 -14.812 -5.560
109 HB2 GLU 15 1HB GLU 15 5.142 -14.021 -3.990
110 HB3 GLU 15 2HB GLU 15 5.376 -13.429 -5.620
111 HG2 GLU 15 1HG GLU 15 4.240 -11.775 -3.336
112 HG3 GLU 15 2HG GLU 15 5.927 -11.757 -3.854
113 H ARG 16 H ARG 16 1.729 -15.668 -4.514
114 HA ARG 16 HA ARG 16 0.211 -14.480 -2.409
115 HB2 ARG 16 1HB ARG 16 -0.566 -16.906 -2.032
116 HB3 ARG 16 2HB ARG 16 -0.884 -16.216 -3.622
117 HG2 ARG 16 1HG ARG 16 1.114 -17.414 -4.517
118 HG3 ARG 16 2HG ARG 16 1.368 -18.133 -2.926
119 HD2 ARG 16 1HD ARG 16 -0.767 -19.323 -3.086
120 HD3 ARG 16 2HD ARG 16 -1.115 -18.534 -4.634
121 HE ARG 16 HE ARG 16 1.139 -19.660 -5.305
122 HH11 ARG 16 1HH1 ARG 16 -1.348 -21.178 -3.340
123 HH12 ARG 16 2HH1 ARG 16 -0.929 -22.779 -3.850
124 HH21 ARG 16 1HH2 ARG 16 1.652 -21.722 -5.974
125 HH22 ARG 16 2HH2 ARG 16 0.764 -23.081 -5.370
126 H HIS 17 H HIS 17 1.757 -13.626 -1.025
127 HA HIS 17 HA HIS 17 3.069 -13.424 0.786
128 HB2 HIS 17 1HB HIS 17 2.158 -16.279 1.333
129 HB3 HIS 17 2HB HIS 17 3.081 -15.321 2.487
130 HD2 HIS 17 HD2 HIS 17 1.671 -13.270 3.774
131 HE1 HIS 17 HE1 HIS 17 -2.087 -14.415 2.196
132 HE2 HIS 17 HE2 HIS 17 -0.905 -13.109 4.012
133 H GLY 18 H GLY 18 4.102 -14.793 -1.796
134 HA2 GLY 18 1HA GLY 18 6.510 -16.195 -0.848
135 HA3 GLY 18 2HA GLY 18 5.966 -16.045 -2.518
136 H GLN 19 H GLN 19 7.109 -14.037 0.194
137 HA GLN 19 HA GLN 19 8.344 -12.164 0.386
138 HB2 GLN 19 1HB GLN 19 10.129 -13.583 -0.595
139 HB3 GLN 19 2HB GLN 19 9.652 -13.085 -2.215
140 HG2 GLN 19 1HG GLN 19 10.266 -10.728 -1.633
141 HG3 GLN 19 2HG GLN 19 10.800 -11.290 -0.048
142 HE21 GLN 19 2HE2 GLN 19 11.479 -11.324 -3.490
143 HE22 GLN 19 1HE2 GLN 19 13.118 -11.851 -3.361
144 H GLY 20 H GLY 20 6.435 -10.926 0.153
145 HA2 GLY 20 1HA GLY 20 6.516 -8.671 -1.367
146 HA3 GLY 20 2HA GLY 20 5.602 -9.797 -2.372
147 H LEU 21 H LEU 21 4.064 -7.889 -1.930
148 HA LEU 21 HA LEU 21 2.618 -8.188 0.642
149 HB2 LEU 21 1HB LEU 21 3.576 -5.911 0.093
150 HB3 LEU 21 2HB LEU 21 2.521 -5.850 -1.305
151 HG LEU 21 HG LEU 21 0.529 -5.904 0.187
152 HD11 LEU 21 1HD1 LEU 21 0.784 -5.596 2.618
153 HD12 LEU 21 2HD1 LEU 21 2.528 -5.822 2.466
154 HD13 LEU 21 3HD1 LEU 21 1.426 -7.146 2.076
155 HD21 LEU 21 3HD2 LEU 21 1.402 -3.735 -0.552
156 HD22 LEU 21 1HD2 LEU 21 2.487 -3.675 0.842
157 HD23 LEU 21 2HD2 LEU 21 0.737 -3.610 1.078
158 H ARG 22 H ARG 22 0.740 -9.171 0.561
159 HA ARG 22 HA ARG 22 -0.705 -9.658 -1.950
160 HB2 ARG 22 1HB ARG 22 -0.090 -11.516 -0.244
161 HB3 ARG 22 2HB ARG 22 -1.303 -10.821 0.820
162 HG2 ARG 22 1HG ARG 22 -1.920 -11.879 -1.968
163 HG3 ARG 22 2HG ARG 22 -2.004 -12.868 -0.513
164 HD2 ARG 22 1HD ARG 22 -3.738 -11.323 0.395
165 HD3 ARG 22 2HD ARG 22 -3.674 -10.401 -1.112
166 HE ARG 22 HE ARG 22 -4.252 -13.241 -1.406
167 HH11 ARG 22 1HH1 ARG 22 -5.664 -10.033 -1.129
168 HH12 ARG 22 2HH1 ARG 22 -7.183 -10.528 -1.800
169 HH21 ARG 22 1HH2 ARG 22 -6.255 -13.855 -2.273
170 HH22 ARG 22 2HH2 ARG 22 -7.517 -12.679 -2.449
171 H PHE 23 H PHE 23 -2.285 -8.244 -2.459
172 HA PHE 23 HA PHE 23 -4.176 -7.270 -0.486
173 HB2 PHE 23 1HB PHE 23 -3.858 -4.864 -0.990
174 HB3 PHE 23 2HB PHE 23 -2.413 -5.559 -0.271
175 HD1 PHE 23 HD1 PHE 23 -3.879 -4.300 -3.463
176 HD2 PHE 23 HD2 PHE 23 -0.319 -5.562 -1.465
177 HE1 PHE 23 HE1 PHE 23 -2.516 -3.389 -5.296
178 HE2 PHE 23 HE2 PHE 23 1.027 -4.637 -3.297
179 HZ PHE 23 HZ PHE 23 -0.065 -3.549 -5.213
180 H ALA 24 H ALA 24 -5.808 -5.783 -1.561
181 HA ALA 24 HA ALA 24 -6.318 -6.456 -4.396
182 HB1 ALA 24 3HB ALA 24 -8.390 -6.361 -2.164
183 HB2 ALA 24 1HB ALA 24 -7.800 -7.821 -2.961
184 HB3 ALA 24 2HB ALA 24 -8.724 -6.630 -3.878
185 H ALA 25 H ALA 25 -7.642 -4.835 -5.495
186 HA ALA 25 HA ALA 25 -6.773 -2.169 -5.057
187 HB1 ALA 25 3HB ALA 25 -9.037 -3.182 -6.820
188 HB2 ALA 25 1HB ALA 25 -7.337 -3.060 -7.286
189 HB3 ALA 25 2HB ALA 25 -8.261 -1.599 -6.936
190 H GLY 26 H GLY 26 -7.662 -0.479 -3.961
191 HA2 GLY 26 1HA GLY 26 -9.618 0.853 -3.395
192 HA3 GLY 26 2HA GLY 26 -10.486 -0.628 -3.015
193 H GLU 27 H GLU 27 -7.692 -1.399 -1.740
194 HA GLU 27 HA GLU 27 -8.469 -0.669 0.953
195 HB2 GLU 27 1HB GLU 27 -6.166 -2.370 -0.082
196 HB3 GLU 27 2HB GLU 27 -6.529 -2.115 1.630
197 HG2 GLU 27 1HG GLU 27 -8.797 -3.126 1.242
198 HG3 GLU 27 2HG GLU 27 -8.305 -3.497 -0.414
199 H LEU 28 H LEU 28 -7.362 0.554 2.408
200 HA LEU 28 HA LEU 28 -5.508 2.552 1.306
201 HB2 LEU 28 1HB LEU 28 -6.974 2.550 3.983
202 HB3 LEU 28 2HB LEU 28 -6.018 3.867 3.335
203 HG LEU 28 HG LEU 28 -8.242 4.546 3.022
204 HD11 LEU 28 1HD1 LEU 28 -8.610 4.671 0.635
205 HD12 LEU 28 2HD1 LEU 28 -7.464 3.353 0.363
206 HD13 LEU 28 3HD1 LEU 28 -6.907 4.891 1.027
207 HD21 LEU 28 3HD2 LEU 28 -9.365 2.452 3.530
208 HD22 LEU 28 1HD2 LEU 28 -8.967 1.816 1.930
209 HD23 LEU 28 2HD2 LEU 28 -10.056 3.201 2.093
210 H ILE 29 H ILE 29 -3.472 1.811 1.403
211 HA ILE 29 HA ILE 29 -2.406 0.255 3.612
212 HB ILE 29 HB ILE 29 -1.032 1.418 1.134
213 HG12 ILE 29 1HG1 ILE 29 -2.778 -0.262 0.559
214 HG13 ILE 29 2HG1 ILE 29 -1.166 -0.837 0.160
215 HG21 ILE 29 1HG2 ILE 29 0.810 -0.165 1.626
216 HG22 ILE 29 2HG2 ILE 29 0.007 -0.624 3.131
217 HG23 ILE 29 3HG2 ILE 29 0.594 1.025 2.912
218 HD11 ILE 29 3HD1 ILE 29 -2.559 -2.599 1.090
219 HD12 ILE 29 1HD1 ILE 29 -2.788 -1.673 2.573
220 HD13 ILE 29 2HD1 ILE 29 -1.183 -2.276 2.144
221 H THR 30 H THR 30 -1.778 1.253 5.407
222 HA THR 30 HA THR 30 -1.370 4.100 5.611
223 HB THR 30 HB THR 30 -0.907 1.978 7.765
224 HG1 THR 30 HG1 THR 30 -3.053 1.911 6.903
225 HG21 THR 30 3HG2 THR 30 -1.522 4.957 7.986
226 HG22 THR 30 1HG2 THR 30 0.040 4.202 8.320
227 HG23 THR 30 2HG2 THR 30 -1.351 3.840 9.342
228 H LEU 31 H LEU 31 0.493 5.028 5.051
229 HA LEU 31 HA LEU 31 2.782 3.500 4.301
230 HB2 LEU 31 1HB LEU 31 2.651 6.522 4.563
231 HB3 LEU 31 2HB LEU 31 3.759 5.584 3.565
232 HG LEU 31 HG LEU 31 0.755 5.894 3.113
233 HD11 LEU 31 1HD1 LEU 31 1.392 7.221 1.159
234 HD12 LEU 31 2HD1 LEU 31 3.099 7.052 1.560
235 HD13 LEU 31 3HD1 LEU 31 2.017 7.943 2.638
236 HD21 LEU 31 3HD2 LEU 31 1.453 3.676 2.385
237 HD22 LEU 31 1HD2 LEU 31 2.806 4.351 1.476
238 HD23 LEU 31 2HD2 LEU 31 1.149 4.686 0.975
239 H LEU 32 H LEU 32 4.730 3.230 5.302
240 HA LEU 32 HA LEU 32 5.157 4.336 8.007
241 HB2 LEU 32 1HB LEU 32 6.638 2.096 6.566
242 HB3 LEU 32 2HB LEU 32 6.834 2.555 8.255
243 HG LEU 32 HG LEU 32 4.321 1.331 7.016
244 HD11 LEU 32 1HD1 LEU 32 6.314 0.095 8.950
245 HD12 LEU 32 2HD1 LEU 32 6.134 -0.295 7.235
246 HD13 LEU 32 3HD1 LEU 32 4.823 -0.649 8.356
247 HD21 LEU 32 3HD2 LEU 32 3.423 1.223 9.312
248 HD22 LEU 32 1HD2 LEU 32 3.710 2.887 8.804
249 HD23 LEU 32 2HD2 LEU 32 4.833 2.099 9.915
250 H GLN 33 H GLN 33 6.475 4.227 4.724
251 HA GLN 33 HA GLN 33 8.590 6.169 5.395
252 HB2 GLN 33 1HB GLN 33 8.013 4.548 2.889
253 HB3 GLN 33 2HB GLN 33 9.145 5.898 2.868
254 HG2 GLN 33 1HG GLN 33 10.491 4.736 4.631
255 HG3 GLN 33 2HG GLN 33 9.392 3.359 4.510
256 HE21 GLN 33 2HE2 GLN 33 11.055 1.965 3.836
257 HE22 GLN 33 1HE2 GLN 33 11.769 2.055 2.271
258 H VAL 34 H VAL 34 8.714 8.193 4.454
259 HA VAL 34 HA VAL 34 6.622 9.192 2.665
260 HB VAL 34 HB VAL 34 6.434 11.345 4.033
261 HG11 VAL 34 1HG1 VAL 34 5.356 8.866 5.427
262 HG12 VAL 34 2HG1 VAL 34 4.600 9.701 4.069
263 HG13 VAL 34 3HG1 VAL 34 4.751 10.516 5.628
264 HG21 VAL 34 3HG2 VAL 34 7.012 11.305 6.443
265 HG22 VAL 34 1HG2 VAL 34 8.450 11.099 5.436
266 HG23 VAL 34 2HG2 VAL 34 7.733 9.706 6.249
267 HA PRO 35 HA PRO 35 11.094 10.727 1.915
268 HB2 PRO 35 1HB PRO 35 11.966 9.203 -0.122
269 HB3 PRO 35 2HB PRO 35 11.929 8.565 1.530
270 HG2 PRO 35 1HG PRO 35 10.013 8.081 -0.737
271 HG3 PRO 35 2HG PRO 35 10.644 6.934 0.464
272 HD2 PRO 35 1HD PRO 35 8.154 8.222 0.625
273 HD3 PRO 35 2HD PRO 35 8.996 7.461 1.984
274 H ASP 36 H ASP 36 12.084 11.294 -0.466
275 HA ASP 36 HA ASP 36 10.317 13.224 -1.655
276 HB2 ASP 36 1HB ASP 36 12.706 13.733 -1.378
277 HB3 ASP 36 2HB ASP 36 13.150 12.347 -2.362
278 H GLY 37 H GLY 37 8.637 11.776 -2.322
279 HA2 GLY 37 1HA GLY 37 7.438 10.471 -3.765
280 HA3 GLY 37 2HA GLY 37 8.579 10.961 -5.012
281 H GLY 38 H GLY 38 9.241 9.153 -6.027
282 HA2 GLY 38 1HA GLY 38 10.380 7.212 -6.427
283 HA3 GLY 38 2HA GLY 38 10.919 7.239 -4.765
284 H TRP 39 H TRP 39 9.540 6.306 -3.143
285 HA TRP 39 HA TRP 39 7.437 4.477 -3.972
286 HB2 TRP 39 1HB TRP 39 8.553 2.449 -3.248
287 HB3 TRP 39 2HB TRP 39 9.578 3.232 -4.439
288 HD1 TRP 39 HD1 TRP 39 11.188 5.250 -2.527
289 HE1 TRP 39 HE1 TRP 39 12.879 4.306 -0.832
290 HE3 TRP 39 HE3 TRP 39 9.445 0.458 -2.221
291 HZ2 TRP 39 HZ2 TRP 39 13.428 1.849 0.436
292 HZ3 TRP 39 HZ3 TRP 39 10.609 -1.125 -0.763
293 HH2 TRP 39 HH2 TRP 39 12.566 -0.457 0.553
294 H TRP 40 H TRP 40 6.489 3.328 -2.068
295 HA TRP 40 HA TRP 40 7.154 4.407 0.592
296 HB2 TRP 40 1HB TRP 40 4.302 4.269 -0.517
297 HB3 TRP 40 2HB TRP 40 4.717 4.639 1.152
298 HD1 TRP 40 HD1 TRP 40 6.448 6.978 1.285
299 HE1 TRP 40 HE1 TRP 40 6.027 9.225 0.113
300 HE3 TRP 40 HE3 TRP 40 3.209 5.405 -2.351
301 HZ2 TRP 40 HZ2 TRP 40 4.514 10.213 -2.043
302 HZ3 TRP 40 HZ3 TRP 40 2.305 7.069 -3.925
303 HH2 TRP 40 HH2 TRP 40 2.944 9.427 -3.773
304 H GLU 41 H GLU 41 7.316 2.738 2.021
305 HA GLU 41 HA GLU 41 5.935 0.193 1.538
306 HB2 GLU 41 1HB GLU 41 7.060 -0.649 3.533
307 HB3 GLU 41 2HB GLU 41 8.254 0.118 2.493
308 HG2 GLU 41 1HG GLU 41 8.329 2.064 3.923
309 HG3 GLU 41 2HG GLU 41 6.998 1.455 4.901
310 H GLY 42 H GLY 42 4.530 -0.660 3.249
311 HA2 GLY 42 1HA GLY 42 3.439 1.005 5.306
312 HA3 GLY 42 2HA GLY 42 2.352 0.859 3.927
313 H GLU 43 H GLU 43 1.258 -0.013 6.048
314 HA GLU 43 HA GLU 43 1.703 -2.912 6.350
315 HB2 GLU 43 1HB GLU 43 0.248 -0.924 8.152
316 HB3 GLU 43 2HB GLU 43 0.337 -2.666 8.442
317 HG2 GLU 43 1HG GLU 43 2.807 -2.508 8.586
318 HG3 GLU 43 2HG GLU 43 2.705 -0.763 8.333
319 H LYS 44 H LYS 44 0.151 -4.331 5.920
320 HA LYS 44 HA LYS 44 -2.318 -3.538 4.528
321 HB2 LYS 44 1HB LYS 44 -0.464 -5.322 3.771
322 HB3 LYS 44 2HB LYS 44 -1.315 -6.402 4.860
323 HG2 LYS 44 1HG LYS 44 -2.649 -4.971 2.530
324 HG3 LYS 44 2HG LYS 44 -1.882 -6.557 2.386
325 HD2 LYS 44 1HD LYS 44 -3.475 -7.431 4.115
326 HD3 LYS 44 2HD LYS 44 -4.260 -5.851 4.149
327 HE2 LYS 44 1HE LYS 44 -4.768 -6.121 1.699
328 HE3 LYS 44 2HE LYS 44 -4.123 -7.762 1.798
329 HZ1 LYS 44 3HZ LYS 44 -6.465 -7.846 2.013
330 HZ2 LYS 44 1HZ LYS 44 -6.473 -6.683 3.248
331 HZ3 LYS 44 2HZ LYS 44 -5.812 -8.213 3.520
332 H GLU 45 H GLU 45 -4.358 -4.622 5.229
333 HA GLU 45 HA GLU 45 -4.959 -4.275 7.918
334 HB2 GLU 45 1HB GLU 45 -6.476 -5.903 5.832
335 HB3 GLU 45 2HB GLU 45 -7.130 -5.430 7.401
336 HG2 GLU 45 1HG GLU 45 -6.317 -3.596 5.135
337 HG3 GLU 45 2HG GLU 45 -7.955 -3.920 5.694
338 H ASP 46 H ASP 46 -3.974 -7.281 6.311
339 HA ASP 46 HA ASP 46 -4.664 -9.082 8.425
340 HB2 ASP 46 1HB ASP 46 -2.698 -9.346 6.106
341 HB3 ASP 46 2HB ASP 46 -3.123 -10.675 7.188
342 H GLY 47 H GLY 47 -2.193 -6.785 8.192
343 HA2 GLY 47 1HA GLY 47 -0.657 -6.280 9.917
344 HA3 GLY 47 2HA GLY 47 -0.639 -7.969 10.409
345 H LEU 48 H LEU 48 -0.523 -8.302 7.232
346 HA LEU 48 HA LEU 48 2.239 -8.859 6.973
347 HB2 LEU 48 1HB LEU 48 0.454 -9.977 5.644
348 HB3 LEU 48 2HB LEU 48 0.116 -8.464 4.820
349 HG LEU 48 HG LEU 48 2.415 -8.527 3.822
350 HD11 LEU 48 1HD1 LEU 48 3.750 -10.579 3.908
351 HD12 LEU 48 2HD1 LEU 48 2.635 -11.271 5.089
352 HD13 LEU 48 3HD1 LEU 48 3.588 -9.841 5.501
353 HD21 LEU 48 3HD2 LEU 48 0.710 -10.973 3.232
354 HD22 LEU 48 1HD2 LEU 48 1.954 -10.299 2.172
355 HD23 LEU 48 2HD2 LEU 48 0.504 -9.364 2.532
356 H ARG 49 H ARG 49 3.890 -7.553 6.430
357 HA ARG 49 HA ARG 49 3.365 -4.715 5.758
358 HB2 ARG 49 1HB ARG 49 5.845 -6.034 6.950
359 HB3 ARG 49 2HB ARG 49 5.642 -4.303 6.673
360 HG2 ARG 49 1HG ARG 49 4.050 -4.084 8.413
361 HG3 ARG 49 2HG ARG 49 3.732 -5.822 8.477
362 HD2 ARG 49 1HD ARG 49 6.306 -4.446 9.338
363 HD3 ARG 49 2HD ARG 49 5.060 -5.099 10.410
364 HE ARG 49 HE ARG 49 5.800 -7.192 8.780
365 HH11 ARG 49 1HH1 ARG 49 7.446 -5.214 11.167
366 HH12 ARG 49 2HH1 ARG 49 8.619 -6.431 11.531
367 HH21 ARG 49 1HH2 ARG 49 7.306 -8.773 9.287
368 HH22 ARG 49 2HH2 ARG 49 8.542 -8.464 10.463
369 H GLY 50 H GLY 50 4.079 -3.917 3.846
370 HA2 GLY 50 1HA GLY 50 6.070 -5.328 2.218
371 HA3 GLY 50 2HA GLY 50 4.443 -5.180 1.557
372 H TRP 51 H TRP 51 6.251 -4.146 0.040
373 HA TRP 51 HA TRP 51 6.104 -1.227 0.350
374 HB2 TRP 51 1HB TRP 51 8.585 -1.102 -0.308
375 HB3 TRP 51 2HB TRP 51 8.253 -1.644 1.330
376 HD1 TRP 51 HD1 TRP 51 9.041 -4.076 2.012
377 HE1 TRP 51 HE1 TRP 51 10.461 -5.876 0.857
378 HE3 TRP 51 HE3 TRP 51 9.164 -2.140 -2.741
379 HZ2 TRP 51 HZ2 TRP 51 11.494 -6.426 -1.693
380 HZ3 TRP 51 HZ3 TRP 51 10.393 -3.381 -4.482
381 HH2 TRP 51 HH2 TRP 51 11.533 -5.483 -3.962
382 H PHE 52 H PHE 52 5.951 -0.152 -1.588
383 HA PHE 52 HA PHE 52 6.740 -1.333 -4.106
384 HB2 PHE 52 1HB PHE 52 3.785 -0.951 -3.421
385 HB3 PHE 52 2HB PHE 52 4.327 -0.804 -5.085
386 HD1 PHE 52 HD2 PHE 52 5.871 -2.845 -5.908
387 HD2 PHE 52 HD1 PHE 52 2.990 -3.072 -2.754
388 HE1 PHE 52 HE2 PHE 52 5.738 -5.284 -6.199
389 HE2 PHE 52 HE1 PHE 52 2.867 -5.515 -3.055
390 HZ PHE 52 HZ PHE 52 4.236 -6.618 -4.775
391 HA PRO 53 HA PRO 53 7.338 3.044 -5.350
392 HB2 PRO 53 1HB PRO 53 6.264 1.940 -7.954
393 HB3 PRO 53 2HB PRO 53 7.648 3.012 -7.677
394 HG2 PRO 53 1HG PRO 53 8.058 0.430 -8.141
395 HG3 PRO 53 2HG PRO 53 9.010 1.252 -6.885
396 HD2 PRO 53 1HD PRO 53 6.681 -0.634 -6.585
397 HD3 PRO 53 2HD PRO 53 8.137 -0.466 -5.582
398 H ALA 54 H ALA 54 6.119 4.829 -6.270
399 HA ALA 54 HA ALA 54 3.538 5.172 -5.194
400 HB1 ALA 54 3HB ALA 54 5.146 7.012 -5.536
401 HB2 ALA 54 1HB ALA 54 3.596 7.377 -6.300
402 HB3 ALA 54 2HB ALA 54 4.966 6.860 -7.286
403 H SER 55 H SER 55 4.475 3.761 -8.173
404 HA SER 55 HA SER 55 2.243 4.322 -9.836
405 HB2 SER 55 1HB SER 55 4.134 1.931 -9.909
406 HB3 SER 55 2HB SER 55 3.160 2.541 -11.256
407 HG SER 55 HG SER 55 4.409 4.610 -10.777
408 H TYR 56 H TYR 56 2.648 2.158 -7.167
409 HA TYR 56 HA TYR 56 0.426 0.370 -7.957
410 HB2 TYR 56 1HB TYR 56 2.416 0.172 -5.638
411 HB3 TYR 56 2HB TYR 56 1.214 -1.040 -6.063
412 HD1 TYR 56 HD2 TYR 56 4.186 0.749 -7.527
413 HD2 TYR 56 HD1 TYR 56 1.844 -2.820 -7.501
414 HE1 TYR 56 HE2 TYR 56 5.812 -0.332 -9.022
415 HE2 TYR 56 HE1 TYR 56 3.471 -3.898 -8.991
416 HH TYR 56 HH TYR 56 6.546 -2.637 -9.580
417 H VAL 57 H VAL 57 1.542 2.426 -5.268
418 HA VAL 57 HA VAL 57 -1.217 2.589 -4.196
419 HB VAL 57 HB VAL 57 -0.175 3.187 -2.000
420 HG11 VAL 57 1HG1 VAL 57 -0.860 0.856 -2.402
421 HG12 VAL 57 2HG1 VAL 57 0.580 0.905 -1.383
422 HG13 VAL 57 3HG1 VAL 57 0.726 0.490 -3.092
423 HG21 VAL 57 3HG2 VAL 57 2.254 2.782 -1.596
424 HG22 VAL 57 1HG2 VAL 57 1.988 4.093 -2.754
425 HG23 VAL 57 2HG2 VAL 57 2.483 2.497 -3.326
426 H GLN 58 H GLN 58 -2.159 4.572 -4.076
427 HA GLN 58 HA GLN 58 -0.655 6.936 -5.052
428 HB2 GLN 58 1HB GLN 58 -2.026 5.998 -6.858
429 HB3 GLN 58 2HB GLN 58 -3.451 5.967 -5.825
430 HG2 GLN 58 1HG GLN 58 -3.473 8.419 -5.762
431 HG3 GLN 58 2HG GLN 58 -2.033 8.481 -6.774
432 HE21 GLN 58 2HE2 GLN 58 -2.210 7.917 -8.974
433 HE22 GLN 58 1HE2 GLN 58 -3.733 7.871 -9.788
434 H LEU 59 H LEU 59 -0.784 8.649 -3.720
435 HA LEU 59 HA LEU 59 -2.065 8.850 -1.275
436 HB2 LEU 59 1HB LEU 59 -1.221 11.075 -3.176
437 HB3 LEU 59 2HB LEU 59 -1.685 11.352 -1.505
438 HG LEU 59 HG LEU 59 0.703 9.638 -2.337
439 HD11 LEU 59 1HD1 LEU 59 2.122 11.517 -1.658
440 HD12 LEU 59 2HD1 LEU 59 0.698 12.518 -1.352
441 HD13 LEU 59 3HD1 LEU 59 1.070 11.979 -2.994
442 HD21 LEU 59 3HD2 LEU 59 -0.219 9.039 -0.130
443 HD22 LEU 59 1HD2 LEU 59 -0.087 10.719 0.397
444 HD23 LEU 59 2HD2 LEU 59 1.366 9.788 0.023
445 H LEU 60 H LEU 60 -4.097 9.381 -0.591
446 HA LEU 60 HA LEU 60 -6.290 9.682 -2.383
447 HB2 LEU 60 1HB LEU 60 -6.106 9.981 0.628
448 HB3 LEU 60 2HB LEU 60 -7.602 10.194 -0.262
449 HG LEU 60 HG LEU 60 -7.239 7.809 -1.159
450 HD11 LEU 60 1HD1 LEU 60 -5.299 7.643 1.155
451 HD12 LEU 60 2HD1 LEU 60 -4.893 7.514 -0.559
452 HD13 LEU 60 3HD1 LEU 60 -5.902 6.282 0.202
453 HD21 LEU 60 3HD2 LEU 60 -7.827 8.185 1.786
454 HD22 LEU 60 1HD2 LEU 60 -8.282 6.791 0.803
455 HD23 LEU 60 2HD2 LEU 60 -8.973 8.373 0.453
Start of MODEL 11
1 H1 MET 1 1H MET 1 -5.681 8.225 14.400
2 H2 MET 1 2H MET 1 -5.111 7.178 15.592
3 H3 MET 1 3H MET 1 -5.298 6.636 14.002
4 HA MET 1 HA MET 1 -3.412 8.719 14.895
5 HB2 MET 1 1HB MET 1 -2.862 5.862 13.968
6 HB3 MET 1 2HB MET 1 -1.635 7.063 14.357
7 HG2 MET 1 1HG MET 1 -1.815 5.541 16.197
8 HG3 MET 1 2HG MET 1 -2.496 7.088 16.714
9 HE1 MET 1 3HE MET 1 -3.684 5.805 18.820
10 HE2 MET 1 1HE MET 1 -3.001 4.281 18.263
11 HE3 MET 1 2HE MET 1 -4.727 4.394 18.607
12 H SER 2 H SER 2 -3.027 10.130 13.298
13 HA SER 2 HA SER 2 -4.093 9.965 10.684
14 HB2 SER 2 1HB SER 2 -1.902 11.811 11.744
15 HB3 SER 2 2HB SER 2 -2.870 12.078 10.288
16 HG SER 2 HG SER 2 -3.468 12.996 12.560
17 H GLY 3 H GLY 3 -3.405 8.427 9.282
18 HA2 GLY 3 1HA GLY 3 -0.523 7.793 9.001
19 HA3 GLY 3 2HA GLY 3 -1.856 6.746 8.541
20 H ALA 4 H ALA 4 0.480 7.889 7.036
21 HA ALA 4 HA ALA 4 -0.603 9.411 4.864
22 HB1 ALA 4 3HB ALA 4 1.830 9.432 5.352
23 HB2 ALA 4 1HB ALA 4 1.520 8.866 3.710
24 HB3 ALA 4 2HB ALA 4 1.933 7.709 4.977
25 H ARG 5 H ARG 5 -2.479 8.343 4.283
26 HA ARG 5 HA ARG 5 -2.592 5.518 3.666
27 HB2 ARG 5 1HB ARG 5 -4.670 7.690 3.126
28 HB3 ARG 5 2HB ARG 5 -4.951 5.948 3.133
29 HG2 ARG 5 1HG ARG 5 -4.496 5.886 5.555
30 HG3 ARG 5 2HG ARG 5 -4.185 7.627 5.541
31 HD2 ARG 5 1HD ARG 5 -6.527 7.969 4.687
32 HD3 ARG 5 2HD ARG 5 -6.813 6.238 4.919
33 HE ARG 5 HE ARG 5 -6.030 6.887 7.364
34 HH11 ARG 5 1HH1 ARG 5 -8.230 8.655 5.269
35 HH12 ARG 5 2HH1 ARG 5 -9.124 9.337 6.588
36 HH21 ARG 5 1HH2 ARG 5 -7.208 7.780 9.074
37 HH22 ARG 5 2HH2 ARG 5 -8.553 8.819 8.749
38 H CYS 6 H CYS 6 -2.624 4.604 1.677
39 HA CYS 6 HA CYS 6 -2.795 6.283 -0.744
40 HB2 CYS 6 1HB CYS 6 -0.853 3.977 -0.278
41 HB3 CYS 6 2HB CYS 6 -1.110 4.789 -1.823
42 HG CYS 6 HG CYS 6 -0.337 6.857 0.679
43 H ARG 7 H ARG 7 -3.976 5.392 -2.381
44 HA ARG 7 HA ARG 7 -5.642 3.052 -1.659
45 HB2 ARG 7 1HB ARG 7 -6.828 5.243 -1.935
46 HB3 ARG 7 2HB ARG 7 -6.242 5.341 -3.593
47 HG2 ARG 7 1HG ARG 7 -7.518 3.304 -4.179
48 HG3 ARG 7 2HG ARG 7 -8.093 3.173 -2.513
49 HD2 ARG 7 1HD ARG 7 -9.244 5.346 -2.747
50 HD3 ARG 7 2HD ARG 7 -8.659 5.476 -4.413
51 HE ARG 7 HE ARG 7 -10.517 3.384 -3.438
52 HH11 ARG 7 1HH1 ARG 7 -9.419 5.475 -6.044
53 HH12 ARG 7 2HH1 ARG 7 -10.713 5.019 -7.098
54 HH21 ARG 7 1HH2 ARG 7 -12.197 2.826 -4.831
55 HH22 ARG 7 2HH2 ARG 7 -12.281 3.531 -6.408
56 H THR 8 H THR 8 -5.493 1.301 -2.866
57 HA THR 8 HA THR 8 -3.499 0.999 -4.862
58 HB THR 8 HB THR 8 -4.473 -1.359 -5.017
59 HG1 THR 8 HG1 THR 8 -6.049 -1.738 -3.235
60 HG21 THR 8 3HG2 THR 8 -3.813 -2.014 -2.729
61 HG22 THR 8 1HG2 THR 8 -3.893 -0.329 -2.207
62 HG23 THR 8 2HG2 THR 8 -2.678 -0.836 -3.386
63 H LEU 9 H LEU 9 -3.622 1.067 -6.987
64 HA LEU 9 HA LEU 9 -6.007 2.051 -8.329
65 HB2 LEU 9 1HB LEU 9 -3.156 1.586 -9.302
66 HB3 LEU 9 2HB LEU 9 -4.425 2.344 -10.258
67 HG LEU 9 HG LEU 9 -3.367 3.486 -7.631
68 HD11 LEU 9 1HD1 LEU 9 -2.143 5.134 -8.960
69 HD12 LEU 9 2HD1 LEU 9 -2.641 4.341 -10.456
70 HD13 LEU 9 3HD1 LEU 9 -1.584 3.502 -9.319
71 HD21 LEU 9 3HD2 LEU 9 -5.211 4.673 -9.739
72 HD22 LEU 9 1HD2 LEU 9 -4.567 5.539 -8.342
73 HD23 LEU 9 2HD2 LEU 9 -5.656 4.180 -8.103
74 H TYR 10 H TYR 10 -4.013 -0.870 -8.193
75 HA TYR 10 HA TYR 10 -5.850 -2.284 -10.033
76 HB2 TYR 10 1HB TYR 10 -2.797 -2.488 -10.180
77 HB3 TYR 10 2HB TYR 10 -3.939 -3.383 -11.178
78 HD1 TYR 10 HD2 TYR 10 -5.571 -1.950 -12.653
79 HD2 TYR 10 HD1 TYR 10 -1.933 -0.421 -11.002
80 HE1 TYR 10 HE2 TYR 10 -5.605 -0.114 -14.284
81 HE2 TYR 10 HE1 TYR 10 -1.973 1.424 -12.634
82 HH TYR 10 HH TYR 10 -4.719 2.116 -14.565
83 HA PRO 11 HA PRO 11 -5.223 -5.613 -6.919
84 HB2 PRO 11 1HB PRO 11 -6.395 -7.684 -8.269
85 HB3 PRO 11 2HB PRO 11 -7.337 -6.422 -7.462
86 HG2 PRO 11 1HG PRO 11 -6.626 -6.679 -10.380
87 HG3 PRO 11 2HG PRO 11 -8.185 -6.245 -9.648
88 HD2 PRO 11 1HD PRO 11 -6.462 -4.375 -10.658
89 HD3 PRO 11 2HD PRO 11 -7.546 -4.036 -9.293
90 H PHE 12 H PHE 12 -3.338 -6.695 -6.634
91 HA PHE 12 HA PHE 12 -1.958 -8.026 -8.834
92 HB2 PHE 12 1HB PHE 12 -1.178 -5.687 -9.038
93 HB3 PHE 12 2HB PHE 12 -0.733 -5.661 -7.337
94 HD1 PHE 12 HD1 PHE 12 -0.015 -7.674 -10.436
95 HD2 PHE 12 HD2 PHE 12 1.551 -5.958 -6.847
96 HE1 PHE 12 HE1 PHE 12 2.239 -8.440 -11.044
97 HE2 PHE 12 HE2 PHE 12 3.805 -6.731 -7.463
98 HZ PHE 12 HZ PHE 12 4.146 -7.969 -9.562
99 H SER 13 H SER 13 -0.896 -9.758 -8.142
100 HA SER 13 HA SER 13 0.022 -11.390 -6.946
101 HB2 SER 13 1HB SER 13 0.631 -9.197 -4.923
102 HB3 SER 13 2HB SER 13 1.315 -10.826 -4.881
103 HG SER 13 HG SER 13 1.574 -9.532 -7.304
104 H GLY 14 H GLY 14 -1.238 -12.957 -6.200
105 HA2 GLY 14 1HA GLY 14 -2.539 -12.689 -3.565
106 HA3 GLY 14 2HA GLY 14 -3.528 -13.202 -4.935
107 H GLU 15 H GLU 15 -0.150 -14.011 -4.495
108 HA GLU 15 HA GLU 15 -0.817 -16.858 -4.787
109 HB2 GLU 15 1HB GLU 15 1.962 -15.624 -5.041
110 HB3 GLU 15 2HB GLU 15 1.388 -17.162 -5.681
111 HG2 GLU 15 1HG GLU 15 0.664 -14.385 -6.667
112 HG3 GLU 15 2HG GLU 15 1.698 -15.556 -7.478
113 H ARG 16 H ARG 16 0.503 -18.435 -3.596
114 HA ARG 16 HA ARG 16 0.980 -17.666 -0.794
115 HB2 ARG 16 1HB ARG 16 0.684 -20.407 -2.105
116 HB3 ARG 16 2HB ARG 16 0.952 -20.150 -0.383
117 HG2 ARG 16 1HG ARG 16 -1.486 -19.261 -1.975
118 HG3 ARG 16 2HG ARG 16 -1.413 -20.604 -0.831
119 HD2 ARG 16 1HD ARG 16 -1.009 -19.063 1.018
120 HD3 ARG 16 2HD ARG 16 -0.916 -17.697 -0.095
121 HE ARG 16 HE ARG 16 -3.407 -18.835 -0.480
122 HH11 ARG 16 1HH1 ARG 16 -1.732 -17.361 2.240
123 HH12 ARG 16 2HH1 ARG 16 -3.184 -16.705 2.920
124 HH21 ARG 16 1HH2 ARG 16 -5.275 -17.955 0.417
125 HH22 ARG 16 2HH2 ARG 16 -5.194 -17.061 1.892
126 H HIS 17 H HIS 17 2.864 -16.531 -2.021
127 HA HIS 17 HA HIS 17 5.269 -18.115 -2.327
128 HB2 HIS 17 1HB HIS 17 4.777 -15.105 -2.228
129 HB3 HIS 17 2HB HIS 17 6.389 -15.802 -2.397
130 HD2 HIS 17 HD2 HIS 17 6.131 -17.878 -4.725
131 HE1 HIS 17 HE1 HIS 17 4.147 -14.819 -6.872
132 HE2 HIS 17 HE2 HIS 17 5.511 -16.952 -7.060
133 H GLY 18 H GLY 18 3.573 -16.569 0.273
134 HA2 GLY 18 1HA GLY 18 4.144 -17.482 2.516
135 HA3 GLY 18 2HA GLY 18 5.820 -17.088 2.158
136 H GLN 19 H GLN 19 6.507 -15.269 3.111
137 HA GLN 19 HA GLN 19 4.685 -13.307 4.204
138 HB2 GLN 19 1HB GLN 19 6.676 -13.803 5.482
139 HB3 GLN 19 2HB GLN 19 7.721 -13.471 4.113
140 HG2 GLN 19 1HG GLN 19 7.908 -11.667 5.709
141 HG3 GLN 19 2HG GLN 19 7.145 -11.074 4.245
142 HE21 GLN 19 2HE2 GLN 19 7.131 -9.976 6.961
143 HE22 GLN 19 1HE2 GLN 19 5.478 -9.817 7.408
144 H GLY 20 H GLY 20 4.144 -11.391 3.422
145 HA2 GLY 20 1HA GLY 20 5.363 -9.577 1.826
146 HA3 GLY 20 2HA GLY 20 4.650 -10.692 0.656
147 H LEU 21 H LEU 21 3.821 -8.060 0.740
148 HA LEU 21 HA LEU 21 1.129 -8.193 1.956
149 HB2 LEU 21 1HB LEU 21 2.489 -6.245 2.624
150 HB3 LEU 21 2HB LEU 21 2.671 -5.773 0.943
151 HG LEU 21 HG LEU 21 0.311 -5.195 0.767
152 HD11 LEU 21 1HD1 LEU 21 -0.686 -6.969 2.112
153 HD12 LEU 21 2HD1 LEU 21 -1.256 -5.396 2.662
154 HD13 LEU 21 3HD1 LEU 21 -0.027 -6.258 3.591
155 HD21 LEU 21 3HD2 LEU 21 1.811 -3.479 1.731
156 HD22 LEU 21 1HD2 LEU 21 1.450 -4.070 3.356
157 HD23 LEU 21 2HD2 LEU 21 0.177 -3.336 2.377
158 H ARG 22 H ARG 22 -0.471 -8.663 0.702
159 HA ARG 22 HA ARG 22 -0.359 -8.387 -2.247
160 HB2 ARG 22 1HB ARG 22 -2.088 -10.187 -0.470
161 HB3 ARG 22 2HB ARG 22 -2.329 -10.009 -2.203
162 HG2 ARG 22 1HG ARG 22 -1.149 -12.045 -1.916
163 HG3 ARG 22 2HG ARG 22 0.026 -10.890 -2.540
164 HD2 ARG 22 1HD ARG 22 0.887 -10.579 -0.214
165 HD3 ARG 22 2HD ARG 22 -0.245 -11.819 0.344
166 HE ARG 22 HE ARG 22 1.336 -12.812 -1.793
167 HH11 ARG 22 1HH1 ARG 22 1.585 -12.080 1.634
168 HH12 ARG 22 2HH1 ARG 22 2.900 -13.174 1.889
169 HH21 ARG 22 1HH2 ARG 22 3.063 -14.224 -1.452
170 HH22 ARG 22 2HH2 ARG 22 3.745 -14.388 0.134
171 H PHE 23 H PHE 23 -2.368 -7.563 -3.288
172 HA PHE 23 HA PHE 23 -4.267 -6.135 -1.630
173 HB2 PHE 23 1HB PHE 23 -3.715 -3.872 -2.540
174 HB3 PHE 23 2HB PHE 23 -2.457 -4.534 -1.508
175 HD1 PHE 23 HD2 PHE 23 -0.282 -5.274 -2.487
176 HD2 PHE 23 HD1 PHE 23 -3.282 -3.437 -4.924
177 HE1 PHE 23 HE2 PHE 23 1.389 -4.829 -4.231
178 HE2 PHE 23 HE1 PHE 23 -1.591 -3.001 -6.660
179 HZ PHE 23 HZ PHE 23 0.742 -3.691 -6.305
180 H ALA 24 H ALA 24 -5.898 -5.045 -2.760
181 HA ALA 24 HA ALA 24 -6.326 -5.662 -5.608
182 HB1 ALA 24 3HB ALA 24 -8.375 -6.075 -3.396
183 HB2 ALA 24 1HB ALA 24 -7.584 -7.352 -4.319
184 HB3 ALA 24 2HB ALA 24 -8.689 -6.240 -5.128
185 H ALA 25 H ALA 25 -7.506 -4.059 -6.694
186 HA ALA 25 HA ALA 25 -7.056 -1.411 -5.950
187 HB1 ALA 25 3HB ALA 25 -8.469 -0.782 -7.862
188 HB2 ALA 25 1HB ALA 25 -9.095 -2.431 -7.953
189 HB3 ALA 25 2HB ALA 25 -7.393 -2.116 -8.284
190 H GLY 26 H GLY 26 -7.985 -0.172 -4.469
191 HA2 GLY 26 1HA GLY 26 -9.963 0.979 -3.644
192 HA3 GLY 26 2HA GLY 26 -10.846 -0.539 -3.728
193 H GLU 27 H GLU 27 -7.753 -1.171 -2.556
194 HA GLU 27 HA GLU 27 -8.573 -1.078 0.273
195 HB2 GLU 27 1HB GLU 27 -6.195 -2.427 -1.092
196 HB3 GLU 27 2HB GLU 27 -6.438 -2.388 0.657
197 HG2 GLU 27 1HG GLU 27 -8.652 -3.547 0.301
198 HG3 GLU 27 2HG GLU 27 -8.217 -3.728 -1.403
199 H LEU 28 H LEU 28 -7.412 0.009 1.845
200 HA LEU 28 HA LEU 28 -5.673 2.222 0.933
201 HB2 LEU 28 1HB LEU 28 -7.325 2.062 3.491
202 HB3 LEU 28 2HB LEU 28 -6.439 3.463 2.898
203 HG LEU 28 HG LEU 28 -8.978 2.253 1.720
204 HD11 LEU 28 1HD1 LEU 28 -8.490 4.971 2.988
205 HD12 LEU 28 2HD1 LEU 28 -9.346 3.609 3.721
206 HD13 LEU 28 3HD1 LEU 28 -10.013 4.398 2.294
207 HD21 LEU 28 3HD2 LEU 28 -8.927 4.057 0.031
208 HD22 LEU 28 1HD2 LEU 28 -7.564 2.955 -0.136
209 HD23 LEU 28 2HD2 LEU 28 -7.327 4.542 0.594
210 H ILE 29 H ILE 29 -3.597 1.514 1.211
211 HA ILE 29 HA ILE 29 -2.786 0.002 3.596
212 HB ILE 29 HB ILE 29 -1.298 0.714 1.026
213 HG12 ILE 29 1HG1 ILE 29 -1.037 -1.814 0.847
214 HG13 ILE 29 2HG1 ILE 29 -2.045 -1.977 2.274
215 HG21 ILE 29 1HG2 ILE 29 0.719 -0.464 1.897
216 HG22 ILE 29 2HG2 ILE 29 -0.046 -0.577 3.483
217 HG23 ILE 29 3HG2 ILE 29 0.356 1.004 2.811
218 HD11 ILE 29 3HD1 ILE 29 -3.259 -2.449 0.231
219 HD12 ILE 29 1HD1 ILE 29 -2.910 -0.832 -0.380
220 HD13 ILE 29 2HD1 ILE 29 -3.932 -1.039 1.044
221 H THR 30 H THR 30 -1.768 0.896 5.293
222 HA THR 30 HA THR 30 -1.368 3.781 5.452
223 HB THR 30 HB THR 30 -0.917 1.628 7.575
224 HG1 THR 30 HG1 THR 30 -3.188 2.376 6.543
225 HG21 THR 30 3HG2 THR 30 0.267 3.766 8.076
226 HG22 THR 30 1HG2 THR 30 -1.058 3.468 9.205
227 HG23 THR 30 2HG2 THR 30 -1.258 4.638 7.900
228 H LEU 31 H LEU 31 0.504 4.482 4.507
229 HA LEU 31 HA LEU 31 2.955 3.047 4.384
230 HB2 LEU 31 1HB LEU 31 2.510 6.054 4.182
231 HB3 LEU 31 2HB LEU 31 3.996 5.213 3.754
232 HG LEU 31 HG LEU 31 1.311 4.975 2.318
233 HD11 LEU 31 1HD1 LEU 31 2.445 7.088 1.861
234 HD12 LEU 31 2HD1 LEU 31 2.488 6.050 0.437
235 HD13 LEU 31 3HD1 LEU 31 3.933 6.234 1.434
236 HD21 LEU 31 3HD2 LEU 31 2.483 3.528 0.683
237 HD22 LEU 31 1HD2 LEU 31 2.443 2.797 2.287
238 HD23 LEU 31 2HD2 LEU 31 3.930 3.543 1.698
239 H LEU 32 H LEU 32 4.223 2.559 6.039
240 HA LEU 32 HA LEU 32 3.903 3.727 8.659
241 HB2 LEU 32 1HB LEU 32 5.826 1.631 7.579
242 HB3 LEU 32 2HB LEU 32 5.729 2.091 9.279
243 HG LEU 32 HG LEU 32 3.502 0.790 7.648
244 HD11 LEU 32 1HD1 LEU 32 5.181 -0.336 9.916
245 HD12 LEU 32 2HD1 LEU 32 5.253 -0.804 8.213
246 HD13 LEU 32 3HD1 LEU 32 3.802 -1.133 9.152
247 HD21 LEU 32 3HD2 LEU 32 2.534 2.363 9.243
248 HD22 LEU 32 1HD2 LEU 32 3.488 1.674 10.559
249 HD23 LEU 32 2HD2 LEU 32 2.228 0.716 9.778
250 H GLN 33 H GLN 33 6.166 4.055 6.001
251 HA GLN 33 HA GLN 33 7.610 6.164 7.473
252 HB2 GLN 33 1HB GLN 33 8.904 4.024 7.632
253 HB3 GLN 33 2HB GLN 33 8.939 3.927 5.876
254 HG2 GLN 33 1HG GLN 33 10.260 6.005 5.800
255 HG3 GLN 33 2HG GLN 33 10.238 6.086 7.558
256 HE21 GLN 33 2HE2 GLN 33 10.620 3.207 7.934
257 HE22 GLN 33 1HE2 GLN 33 12.259 2.878 7.519
258 H VAL 34 H VAL 34 8.026 7.909 6.262
259 HA VAL 34 HA VAL 34 7.833 7.833 3.330
260 HB VAL 34 HB VAL 34 6.632 10.112 3.428
261 HG11 VAL 34 1HG1 VAL 34 4.371 9.118 3.643
262 HG12 VAL 34 2HG1 VAL 34 5.070 7.686 4.404
263 HG13 VAL 34 3HG1 VAL 34 5.451 8.065 2.723
264 HG21 VAL 34 3HG2 VAL 34 7.015 10.651 5.818
265 HG22 VAL 34 1HG2 VAL 34 6.025 9.266 6.299
266 HG23 VAL 34 2HG2 VAL 34 5.288 10.631 5.455
267 HA PRO 35 HA PRO 35 11.637 9.964 5.089
268 HB2 PRO 35 1HB PRO 35 13.584 8.456 4.014
269 HB3 PRO 35 2HB PRO 35 12.597 7.843 5.349
270 HG2 PRO 35 1HG PRO 35 12.346 7.256 2.398
271 HG3 PRO 35 2HG PRO 35 12.267 6.130 3.769
272 HD2 PRO 35 1HD PRO 35 10.035 7.194 2.500
273 HD3 PRO 35 2HD PRO 35 10.036 6.587 4.171
274 H ASP 36 H ASP 36 10.661 9.317 1.863
275 HA ASP 36 HA ASP 36 11.843 11.629 0.650
276 HB2 ASP 36 1HB ASP 36 13.828 10.177 0.605
277 HB3 ASP 36 2HB ASP 36 12.893 8.840 -0.050
278 H GLY 37 H GLY 37 10.826 12.035 -1.369
279 HA2 GLY 37 1HA GLY 37 8.229 10.776 -1.680
280 HA3 GLY 37 2HA GLY 37 8.839 12.182 -2.537
281 H GLY 38 H GLY 38 9.758 8.713 -2.294
282 HA2 GLY 38 1HA GLY 38 9.739 8.507 -5.264
283 HA3 GLY 38 2HA GLY 38 10.916 7.691 -4.240
284 H TRP 39 H TRP 39 10.302 5.868 -3.043
285 HA TRP 39 HA TRP 39 7.520 4.905 -3.285
286 HB2 TRP 39 1HB TRP 39 8.223 2.659 -3.812
287 HB3 TRP 39 2HB TRP 39 9.013 3.720 -4.964
288 HD1 TRP 39 HD1 TRP 39 11.692 4.491 -3.638
289 HE1 TRP 39 HE1 TRP 39 13.459 2.730 -3.026
290 HE3 TRP 39 HE3 TRP 39 8.702 0.353 -3.480
291 HZ2 TRP 39 HZ2 TRP 39 13.594 -0.044 -2.564
292 HZ3 TRP 39 HZ3 TRP 39 9.727 -1.822 -2.959
293 HH2 TRP 39 HH2 TRP 39 12.126 -2.021 -2.511
294 H TRP 40 H TRP 40 6.891 3.499 -1.499
295 HA TRP 40 HA TRP 40 8.448 4.022 0.969
296 HB2 TRP 40 1HB TRP 40 5.448 4.520 0.735
297 HB3 TRP 40 2HB TRP 40 6.496 4.929 2.093
298 HD1 TRP 40 HD1 TRP 40 8.060 7.137 1.785
299 HE1 TRP 40 HE1 TRP 40 7.852 9.159 0.223
300 HE3 TRP 40 HE3 TRP 40 4.792 5.195 -1.617
301 HZ2 TRP 40 HZ2 TRP 40 6.526 9.839 -2.158
302 HZ3 TRP 40 HZ3 TRP 40 4.120 6.584 -3.529
303 HH2 TRP 40 HH2 TRP 40 4.971 8.859 -3.793
304 H GLU 41 H GLU 41 7.803 2.777 2.778
305 HA GLU 41 HA GLU 41 6.688 0.131 2.184
306 HB2 GLU 41 1HB GLU 41 7.512 -0.490 4.438
307 HB3 GLU 41 2HB GLU 41 8.808 0.186 3.456
308 HG2 GLU 41 1HG GLU 41 8.771 2.260 4.651
309 HG3 GLU 41 2HG GLU 41 7.258 1.855 5.456
310 H GLY 42 H GLY 42 4.997 -0.696 3.411
311 HA2 GLY 42 1HA GLY 42 3.394 0.958 5.200
312 HA3 GLY 42 2HA GLY 42 2.645 0.478 3.677
313 H GLU 43 H GLU 43 1.267 -0.409 5.644
314 HA GLU 43 HA GLU 43 1.897 -3.272 5.833
315 HB2 GLU 43 1HB GLU 43 1.515 -3.431 8.176
316 HB3 GLU 43 2HB GLU 43 2.682 -2.141 7.951
317 HG2 GLU 43 1HG GLU 43 1.105 -0.449 8.511
318 HG3 GLU 43 2HG GLU 43 -0.268 -1.532 8.288
319 H LYS 44 H LYS 44 0.152 -4.555 6.585
320 HA LYS 44 HA LYS 44 -2.583 -3.472 6.304
321 HB2 LYS 44 1HB LYS 44 -1.646 -5.396 4.722
322 HB3 LYS 44 2HB LYS 44 -1.899 -6.439 6.112
323 HG2 LYS 44 1HG LYS 44 -4.112 -4.723 4.948
324 HG3 LYS 44 2HG LYS 44 -3.737 -6.315 4.292
325 HD2 LYS 44 1HD LYS 44 -4.255 -7.352 6.459
326 HD3 LYS 44 2HD LYS 44 -4.547 -5.767 7.171
327 HE2 LYS 44 1HE LYS 44 -6.460 -5.435 5.640
328 HE3 LYS 44 2HE LYS 44 -6.172 -7.032 4.940
329 HZ1 LYS 44 3HZ LYS 44 -7.874 -7.270 6.525
330 HZ2 LYS 44 1HZ LYS 44 -7.027 -6.389 7.705
331 HZ3 LYS 44 2HZ LYS 44 -6.487 -7.929 7.243
332 H GLU 45 H GLU 45 -4.081 -4.274 7.914
333 HA GLU 45 HA GLU 45 -3.505 -4.101 10.580
334 HB2 GLU 45 1HB GLU 45 -5.684 -5.893 9.421
335 HB3 GLU 45 2HB GLU 45 -5.686 -5.146 11.021
336 HG2 GLU 45 1HG GLU 45 -5.899 -2.938 10.026
337 HG3 GLU 45 2HG GLU 45 -5.754 -3.622 8.405
338 H ASP 46 H ASP 46 -3.215 -7.004 8.624
339 HA ASP 46 HA ASP 46 -3.019 -8.920 10.753
340 HB2 ASP 46 1HB ASP 46 -2.404 -9.054 7.776
341 HB3 ASP 46 2HB ASP 46 -2.232 -10.450 8.842
342 H GLY 47 H GLY 47 -0.854 -6.565 10.016
343 HA2 GLY 47 1HA GLY 47 1.307 -6.257 10.849
344 HA3 GLY 47 2HA GLY 47 1.432 -7.985 11.153
345 H LEU 48 H LEU 48 0.273 -7.682 8.062
346 HA LEU 48 HA LEU 48 2.640 -8.670 6.835
347 HB2 LEU 48 1HB LEU 48 0.068 -7.595 5.598
348 HB3 LEU 48 2HB LEU 48 1.329 -8.437 4.698
349 HG LEU 48 HG LEU 48 -0.315 -9.666 6.955
350 HD11 LEU 48 1HD1 LEU 48 -1.707 -9.231 4.991
351 HD12 LEU 48 2HD1 LEU 48 -1.463 -10.959 5.219
352 HD13 LEU 48 3HD1 LEU 48 -0.567 -10.103 3.961
353 HD21 LEU 48 3HD2 LEU 48 0.688 -11.810 6.268
354 HD22 LEU 48 1HD2 LEU 48 1.916 -10.668 6.813
355 HD23 LEU 48 2HD2 LEU 48 1.700 -10.973 5.085
356 H ARG 49 H ARG 49 4.354 -7.536 6.143
357 HA ARG 49 HA ARG 49 4.165 -4.604 5.736
358 HB2 ARG 49 1HB ARG 49 6.674 -6.298 6.132
359 HB3 ARG 49 2HB ARG 49 6.575 -4.538 6.147
360 HG2 ARG 49 1HG ARG 49 5.410 -6.428 8.219
361 HG3 ARG 49 2HG ARG 49 6.873 -5.461 8.398
362 HD2 ARG 49 1HD ARG 49 5.451 -3.396 8.170
363 HD3 ARG 49 2HD ARG 49 4.017 -4.436 8.163
364 HE ARG 49 HE ARG 49 5.939 -4.368 10.422
365 HH11 ARG 49 1HH1 ARG 49 2.599 -4.337 9.320
366 HH12 ARG 49 2HH1 ARG 49 1.954 -4.164 10.917
367 HH21 ARG 49 1HH2 ARG 49 5.070 -4.197 12.502
368 HH22 ARG 49 2HH2 ARG 49 3.354 -4.129 12.723
369 H GLY 50 H GLY 50 4.769 -3.726 3.788
370 HA2 GLY 50 1HA GLY 50 6.401 -5.112 1.851
371 HA3 GLY 50 2HA GLY 50 4.716 -4.923 1.348
372 H TRP 51 H TRP 51 7.071 -3.765 0.160
373 HA TRP 51 HA TRP 51 6.554 -0.871 0.490
374 HB2 TRP 51 1HB TRP 51 9.115 -1.046 -0.674
375 HB3 TRP 51 2HB TRP 51 8.773 -0.658 1.003
376 HD1 TRP 51 HD1 TRP 51 9.736 -2.284 2.794
377 HE1 TRP 51 HE1 TRP 51 10.963 -4.536 2.736
378 HE3 TRP 51 HE3 TRP 51 9.191 -3.425 -2.186
379 HZ2 TRP 51 HZ2 TRP 51 11.610 -6.537 0.875
380 HZ3 TRP 51 HZ3 TRP 51 10.141 -5.540 -3.015
381 HH2 TRP 51 HH2 TRP 51 11.325 -7.062 -1.513
382 H PHE 52 H PHE 52 5.934 0.184 -1.318
383 HA PHE 52 HA PHE 52 5.982 -1.224 -3.909
384 HB2 PHE 52 1HB PHE 52 3.480 0.062 -2.697
385 HB3 PHE 52 2HB PHE 52 3.591 -0.646 -4.308
386 HD1 PHE 52 HD1 PHE 52 4.440 -3.164 -4.374
387 HD2 PHE 52 HD2 PHE 52 2.644 -1.299 -0.968
388 HE1 PHE 52 HE1 PHE 52 3.893 -5.374 -3.443
389 HE2 PHE 52 HE2 PHE 52 2.101 -3.512 -0.055
390 HZ PHE 52 HZ PHE 52 2.728 -5.547 -1.283
391 HA PRO 53 HA PRO 53 6.997 2.889 -5.648
392 HB2 PRO 53 1HB PRO 53 5.778 1.518 -8.050
393 HB3 PRO 53 2HB PRO 53 7.279 2.449 -7.930
394 HG2 PRO 53 1HG PRO 53 7.376 -0.204 -8.057
395 HG3 PRO 53 2HG PRO 53 8.457 0.666 -6.945
396 HD2 PRO 53 1HD PRO 53 5.912 -0.836 -6.341
397 HD3 PRO 53 2HD PRO 53 7.439 -0.791 -5.429
398 H ALA 54 H ALA 54 5.790 4.666 -6.344
399 HA ALA 54 HA ALA 54 3.155 4.951 -5.362
400 HB1 ALA 54 3HB ALA 54 4.807 6.794 -5.437
401 HB2 ALA 54 1HB ALA 54 3.290 7.247 -6.215
402 HB3 ALA 54 2HB ALA 54 4.696 6.823 -7.197
403 H SER 55 H SER 55 4.281 3.812 -8.398
404 HA SER 55 HA SER 55 2.139 4.580 -10.097
405 HB2 SER 55 1HB SER 55 4.336 3.799 -10.938
406 HB3 SER 55 2HB SER 55 4.000 2.178 -10.330
407 HG SER 55 HG SER 55 2.328 2.002 -11.802
408 H TYR 56 H TYR 56 2.453 2.024 -7.714
409 HA TYR 56 HA TYR 56 0.169 0.476 -8.650
410 HB2 TYR 56 1HB TYR 56 1.883 0.284 -6.134
411 HB3 TYR 56 2HB TYR 56 0.547 -0.804 -6.488
412 HD1 TYR 56 HD2 TYR 56 3.948 0.224 -7.581
413 HD2 TYR 56 HD1 TYR 56 0.796 -2.620 -8.082
414 HE1 TYR 56 HE2 TYR 56 5.460 -1.239 -8.856
415 HE2 TYR 56 HE1 TYR 56 2.308 -4.075 -9.359
416 HH TYR 56 HH TYR 56 5.678 -3.603 -9.434
417 H VAL 57 H VAL 57 0.764 3.113 -6.419
418 HA VAL 57 HA VAL 57 -1.974 2.941 -5.338
419 HB VAL 57 HB VAL 57 -1.056 3.495 -3.038
420 HG11 VAL 57 1HG1 VAL 57 -0.436 1.167 -2.436
421 HG12 VAL 57 2HG1 VAL 57 -0.236 0.778 -4.146
422 HG13 VAL 57 3HG1 VAL 57 -1.829 1.213 -3.522
423 HG21 VAL 57 3HG2 VAL 57 1.330 2.954 -2.519
424 HG22 VAL 57 1HG2 VAL 57 1.196 4.302 -3.657
425 HG23 VAL 57 2HG2 VAL 57 1.634 2.694 -4.240
426 H GLN 58 H GLN 58 -2.997 4.829 -5.510
427 HA GLN 58 HA GLN 58 -1.639 7.294 -6.158
428 HB2 GLN 58 1HB GLN 58 -3.784 6.706 -7.234
429 HB3 GLN 58 2HB GLN 58 -4.596 6.722 -5.679
430 HG2 GLN 58 1HG GLN 58 -5.070 8.750 -7.000
431 HG3 GLN 58 2HG GLN 58 -4.253 9.126 -5.482
432 HE21 GLN 58 2HE2 GLN 58 -3.879 8.987 -8.976
433 HE22 GLN 58 1HE2 GLN 58 -2.442 9.941 -9.058
434 H LEU 59 H LEU 59 -1.199 8.943 -4.834
435 HA LEU 59 HA LEU 59 -1.121 8.530 -2.000
436 HB2 LEU 59 1HB LEU 59 -0.363 10.962 -3.670
437 HB3 LEU 59 2HB LEU 59 0.090 10.688 -1.990
438 HG LEU 59 HG LEU 59 0.990 8.986 -4.356
439 HD11 LEU 59 1HD1 LEU 59 2.570 10.997 -2.716
440 HD12 LEU 59 2HD1 LEU 59 2.045 11.192 -4.390
441 HD13 LEU 59 3HD1 LEU 59 3.219 9.946 -3.979
442 HD21 LEU 59 3HD2 LEU 59 0.769 7.640 -2.308
443 HD22 LEU 59 1HD2 LEU 59 1.787 8.783 -1.425
444 HD23 LEU 59 2HD2 LEU 59 2.456 7.835 -2.754
445 H LEU 60 H LEU 60 -2.925 8.804 -0.817
446 HA LEU 60 HA LEU 60 -5.066 10.613 -1.493
447 HB2 LEU 60 1HB LEU 60 -4.587 9.035 1.070
448 HB3 LEU 60 2HB LEU 60 -6.095 9.824 0.615
449 HG LEU 60 HG LEU 60 -4.811 7.439 -0.790
450 HD11 LEU 60 1HD1 LEU 60 -7.358 7.583 0.849
451 HD12 LEU 60 2HD1 LEU 60 -5.841 6.817 1.328
452 HD13 LEU 60 3HD1 LEU 60 -6.758 6.171 -0.027
453 HD21 LEU 60 3HD2 LEU 60 -6.853 7.369 -2.201
454 HD22 LEU 60 1HD2 LEU 60 -5.904 8.833 -2.456
455 HD23 LEU 60 2HD2 LEU 60 -7.379 8.899 -1.491
Start of MODEL 12
1 H1 MET 1 1H MET 1 -5.017 15.128 10.566
2 H2 MET 1 2H MET 1 -4.018 14.828 11.893
3 H3 MET 1 3H MET 1 -5.267 15.961 12.017
4 HA MET 1 HA MET 1 -5.834 13.924 13.136
5 HB2 MET 1 1HB MET 1 -7.680 15.210 12.237
6 HB3 MET 1 2HB MET 1 -7.436 14.543 10.626
7 HG2 MET 1 1HG MET 1 -9.389 13.570 11.793
8 HG3 MET 1 2HG MET 1 -8.180 12.357 11.367
9 HE1 MET 1 3HE MET 1 -10.463 11.656 13.463
10 HE2 MET 1 1HE MET 1 -9.516 10.864 14.722
11 HE3 MET 1 2HE MET 1 -9.157 10.552 13.023
12 H SER 2 H SER 2 -5.622 13.342 9.609
13 HA SER 2 HA SER 2 -5.228 10.457 10.126
14 HB2 SER 2 1HB SER 2 -6.164 11.853 7.578
15 HB3 SER 2 2HB SER 2 -6.097 10.109 7.854
16 HG SER 2 HG SER 2 -7.791 12.029 9.043
17 H GLY 3 H GLY 3 -3.234 9.676 9.827
18 HA2 GLY 3 1HA GLY 3 -1.037 11.149 8.763
19 HA3 GLY 3 2HA GLY 3 -1.039 9.445 9.203
20 H ALA 4 H ALA 4 0.450 9.956 7.077
21 HA ALA 4 HA ALA 4 -0.804 10.147 4.539
22 HB1 ALA 4 3HB ALA 4 1.580 10.668 4.872
23 HB2 ALA 4 1HB ALA 4 1.371 9.446 3.611
24 HB3 ALA 4 2HB ALA 4 1.917 8.973 5.223
25 H ARG 5 H ARG 5 -2.300 8.728 3.943
26 HA ARG 5 HA ARG 5 -1.926 5.815 4.351
27 HB2 ARG 5 1HB ARG 5 -3.968 7.144 5.345
28 HB3 ARG 5 2HB ARG 5 -4.560 7.195 3.691
29 HG2 ARG 5 1HG ARG 5 -4.558 4.693 3.656
30 HG3 ARG 5 2HG ARG 5 -4.031 4.696 5.344
31 HD2 ARG 5 1HD ARG 5 -6.134 6.080 5.837
32 HD3 ARG 5 2HD ARG 5 -6.669 5.668 4.204
33 HE ARG 5 HE ARG 5 -5.958 3.334 5.678
34 HH11 ARG 5 1HH1 ARG 5 -8.566 5.631 5.203
35 HH12 ARG 5 2HH1 ARG 5 -9.752 4.617 5.950
36 HH21 ARG 5 1HH2 ARG 5 -7.522 2.031 6.663
37 HH22 ARG 5 2HH2 ARG 5 -9.159 2.583 6.788
38 H CYS 6 H CYS 6 -3.190 4.605 2.487
39 HA CYS 6 HA CYS 6 -2.735 5.739 -0.156
40 HB2 CYS 6 1HB CYS 6 -1.227 3.266 0.799
41 HB3 CYS 6 2HB CYS 6 -1.159 3.963 -0.821
42 HG CYS 6 HG CYS 6 -0.255 6.479 0.633
43 H ARG 7 H ARG 7 -3.681 4.533 -1.817
44 HA ARG 7 HA ARG 7 -5.330 2.183 -1.097
45 HB2 ARG 7 1HB ARG 7 -6.155 4.579 -2.794
46 HB3 ARG 7 2HB ARG 7 -7.021 3.043 -2.809
47 HG2 ARG 7 1HG ARG 7 -7.514 3.306 -0.396
48 HG3 ARG 7 2HG ARG 7 -6.682 4.864 -0.405
49 HD2 ARG 7 1HD ARG 7 -9.160 5.080 -0.569
50 HD3 ARG 7 2HD ARG 7 -8.324 5.776 -1.960
51 HE ARG 7 HE ARG 7 -8.853 3.602 -3.123
52 HH11 ARG 7 1HH1 ARG 7 -10.965 4.809 -0.592
53 HH12 ARG 7 2HH1 ARG 7 -12.361 3.979 -1.201
54 HH21 ARG 7 1HH2 ARG 7 -10.662 2.524 -3.912
55 HH22 ARG 7 2HH2 ARG 7 -12.184 2.672 -3.094
56 H THR 8 H THR 8 -5.037 0.506 -2.438
57 HA THR 8 HA THR 8 -3.296 0.700 -4.746
58 HB THR 8 HB THR 8 -3.773 -1.763 -4.977
59 HG1 THR 8 HG1 THR 8 -5.084 -2.746 -3.420
60 HG21 THR 8 3HG2 THR 8 -2.691 -2.487 -2.877
61 HG22 THR 8 1HG2 THR 8 -3.042 -0.921 -2.140
62 HG23 THR 8 2HG2 THR 8 -1.917 -1.028 -3.497
63 H LEU 9 H LEU 9 -3.959 1.160 -6.761
64 HA LEU 9 HA LEU 9 -6.656 1.908 -7.300
65 HB2 LEU 9 1HB LEU 9 -4.307 1.590 -9.214
66 HB3 LEU 9 2HB LEU 9 -5.817 2.413 -9.591
67 HG LEU 9 HG LEU 9 -3.803 3.298 -7.480
68 HD11 LEU 9 1HD1 LEU 9 -2.947 3.660 -9.739
69 HD12 LEU 9 2HD1 LEU 9 -3.320 5.188 -8.946
70 HD13 LEU 9 3HD1 LEU 9 -4.414 4.544 -10.176
71 HD21 LEU 9 3HD2 LEU 9 -6.391 4.618 -8.360
72 HD22 LEU 9 1HD2 LEU 9 -5.185 5.346 -7.295
73 HD23 LEU 9 2HD2 LEU 9 -6.050 3.902 -6.783
74 H TYR 10 H TYR 10 -4.612 -0.755 -8.430
75 HA TYR 10 HA TYR 10 -6.915 -2.468 -9.001
76 HB2 TYR 10 1HB TYR 10 -4.841 -1.623 -11.073
77 HB3 TYR 10 2HB TYR 10 -5.709 -3.145 -11.231
78 HD1 TYR 10 HD2 TYR 10 -8.321 -3.027 -11.175
79 HD2 TYR 10 HD1 TYR 10 -5.846 0.369 -11.971
80 HE1 TYR 10 HE2 TYR 10 -10.226 -1.881 -12.213
81 HE2 TYR 10 HE1 TYR 10 -7.758 1.519 -13.002
82 HH TYR 10 HH TYR 10 -9.919 0.916 -14.085
83 HA PRO 11 HA PRO 11 -4.204 -5.398 -7.076
84 HB2 PRO 11 1HB PRO 11 -5.284 -7.769 -7.724
85 HB3 PRO 11 2HB PRO 11 -6.234 -6.557 -6.851
86 HG2 PRO 11 1HG PRO 11 -6.279 -7.236 -9.787
87 HG3 PRO 11 2HG PRO 11 -7.642 -6.950 -8.685
88 HD2 PRO 11 1HD PRO 11 -6.582 -5.033 -10.401
89 HD3 PRO 11 2HD PRO 11 -7.511 -4.665 -8.937
90 H PHE 12 H PHE 12 -2.648 -7.184 -7.356
91 HA PHE 12 HA PHE 12 -1.690 -7.554 -10.151
92 HB2 PHE 12 1HB PHE 12 -0.080 -6.218 -8.791
93 HB3 PHE 12 2HB PHE 12 0.013 -7.517 -7.604
94 HD1 PHE 12 HD1 PHE 12 0.655 -6.743 -11.214
95 HD2 PHE 12 HD2 PHE 12 1.605 -9.280 -7.906
96 HE1 PHE 12 HE1 PHE 12 2.451 -7.787 -12.525
97 HE2 PHE 12 HE2 PHE 12 3.396 -10.314 -9.224
98 HZ PHE 12 HZ PHE 12 3.825 -9.575 -11.531
99 H SER 13 H SER 13 -2.631 -9.461 -10.646
100 HA SER 13 HA SER 13 -2.566 -11.706 -8.744
101 HB2 SER 13 1HB SER 13 -4.111 -11.365 -11.349
102 HB3 SER 13 2HB SER 13 -4.252 -12.735 -10.244
103 HG SER 13 HG SER 13 -5.308 -10.220 -10.083
104 H GLY 14 H GLY 14 -0.332 -12.109 -8.966
105 HA2 GLY 14 1HA GLY 14 0.405 -14.161 -10.687
106 HA3 GLY 14 2HA GLY 14 0.974 -12.667 -11.428
107 H GLU 15 H GLU 15 3.044 -13.685 -11.169
108 HA GLU 15 HA GLU 15 4.199 -14.139 -8.545
109 HB2 GLU 15 1HB GLU 15 5.450 -14.175 -11.333
110 HB3 GLU 15 2HB GLU 15 6.208 -14.782 -9.861
111 HG2 GLU 15 1HG GLU 15 4.675 -16.587 -9.683
112 HG3 GLU 15 2HG GLU 15 3.584 -15.888 -10.881
113 H ARG 16 H ARG 16 5.001 -12.526 -7.353
114 HA ARG 16 HA ARG 16 6.036 -10.052 -8.615
115 HB2 ARG 16 1HB ARG 16 5.526 -8.927 -6.500
116 HB3 ARG 16 2HB ARG 16 4.099 -9.748 -7.108
117 HG2 ARG 16 1HG ARG 16 5.042 -11.668 -5.418
118 HG3 ARG 16 2HG ARG 16 5.671 -10.228 -4.614
119 HD2 ARG 16 1HD ARG 16 3.526 -10.720 -3.640
120 HD3 ARG 16 2HD ARG 16 3.292 -9.293 -4.664
121 HE ARG 16 HE ARG 16 2.723 -11.977 -5.745
122 HH11 ARG 16 1HH1 ARG 16 1.415 -8.866 -4.749
123 HH12 ARG 16 2HH1 ARG 16 -0.139 -9.182 -5.451
124 HH21 ARG 16 1HH2 ARG 16 0.703 -12.356 -6.646
125 HH22 ARG 16 2HH2 ARG 16 -0.536 -11.145 -6.533
126 H HIS 17 H HIS 17 7.438 -12.547 -8.407
127 HA HIS 17 HA HIS 17 9.488 -13.355 -8.163
128 HB2 HIS 17 1HB HIS 17 10.272 -10.589 -7.178
129 HB3 HIS 17 2HB HIS 17 11.402 -11.854 -7.652
130 HD2 HIS 17 HD2 HIS 17 11.323 -12.477 -10.477
131 HE1 HIS 17 HE1 HIS 17 9.531 -8.764 -11.437
132 HE2 HIS 17 HE2 HIS 17 10.499 -10.910 -12.373
133 H GLY 18 H GLY 18 9.518 -11.164 -5.317
134 HA2 GLY 18 1HA GLY 18 9.141 -13.401 -3.465
135 HA3 GLY 18 2HA GLY 18 10.719 -12.617 -3.424
136 H GLN 19 H GLN 19 10.854 -10.395 -2.788
137 HA GLN 19 HA GLN 19 9.240 -9.738 -0.572
138 HB2 GLN 19 1HB GLN 19 11.577 -8.978 -0.776
139 HB3 GLN 19 2HB GLN 19 11.149 -7.970 -2.157
140 HG2 GLN 19 1HG GLN 19 9.625 -6.655 -0.655
141 HG3 GLN 19 2HG GLN 19 10.215 -7.603 0.713
142 HE21 GLN 19 2HE2 GLN 19 11.058 -5.752 1.744
143 HE22 GLN 19 1HE2 GLN 19 12.467 -4.940 1.161
144 H GLY 20 H GLY 20 7.228 -8.965 -0.573
145 HA2 GLY 20 1HA GLY 20 6.357 -6.637 -1.828
146 HA3 GLY 20 2HA GLY 20 5.881 -7.986 -2.863
147 H LEU 21 H LEU 21 3.750 -7.176 -2.395
148 HA LEU 21 HA LEU 21 2.555 -8.428 -0.016
149 HB2 LEU 21 1HB LEU 21 2.812 -5.993 0.449
150 HB3 LEU 21 2HB LEU 21 1.971 -5.613 -1.041
151 HG LEU 21 HG LEU 21 -0.114 -6.656 -0.097
152 HD11 LEU 21 1HD1 LEU 21 -0.264 -7.141 2.305
153 HD12 LEU 21 2HD1 LEU 21 1.476 -6.888 2.472
154 HD13 LEU 21 3HD1 LEU 21 0.866 -8.220 1.487
155 HD21 LEU 21 3HD2 LEU 21 0.214 -4.224 0.038
156 HD22 LEU 21 1HD2 LEU 21 1.044 -4.407 1.587
157 HD23 LEU 21 2HD2 LEU 21 -0.668 -4.819 1.443
158 H ARG 22 H ARG 22 0.645 -9.437 -0.470
159 HA ARG 22 HA ARG 22 -0.456 -9.383 -3.195
160 HB2 ARG 22 1HB ARG 22 -1.157 -11.092 -0.764
161 HB3 ARG 22 2HB ARG 22 -1.948 -11.220 -2.337
162 HG2 ARG 22 1HG ARG 22 0.191 -11.873 -3.375
163 HG3 ARG 22 2HG ARG 22 1.000 -11.712 -1.815
164 HD2 ARG 22 1HD ARG 22 -0.397 -13.530 -0.897
165 HD3 ARG 22 2HD ARG 22 -1.226 -13.684 -2.453
166 HE ARG 22 HE ARG 22 1.354 -14.027 -3.147
167 HH11 ARG 22 1HH1 ARG 22 -0.586 -15.576 -0.669
168 HH12 ARG 22 2HH1 ARG 22 0.346 -17.038 -0.689
169 HH21 ARG 22 1HH2 ARG 22 2.555 -15.935 -3.172
170 HH22 ARG 22 2HH2 ARG 22 2.120 -17.250 -2.130
171 H PHE 23 H PHE 23 -2.345 -8.365 -3.678
172 HA PHE 23 HA PHE 23 -4.021 -7.159 -1.637
173 HB2 PHE 23 1HB PHE 23 -3.626 -4.828 -2.469
174 HB3 PHE 23 2HB PHE 23 -2.214 -5.540 -1.703
175 HD1 PHE 23 HD1 PHE 23 -0.217 -6.140 -3.047
176 HD2 PHE 23 HD2 PHE 23 -3.609 -4.289 -4.874
177 HE1 PHE 23 HE1 PHE 23 1.137 -5.589 -5.019
178 HE2 PHE 23 HE2 PHE 23 -2.244 -3.742 -6.839
179 HZ PHE 23 HZ PHE 23 0.129 -4.386 -6.916
180 H ALA 24 H ALA 24 -6.030 -6.713 -2.315
181 HA ALA 24 HA ALA 24 -6.902 -7.097 -5.073
182 HB1 ALA 24 3HB ALA 24 -8.468 -6.364 -2.571
183 HB2 ALA 24 1HB ALA 24 -8.270 -7.990 -3.223
184 HB3 ALA 24 2HB ALA 24 -9.173 -6.779 -4.138
185 H ALA 25 H ALA 25 -8.441 -5.318 -5.996
186 HA ALA 25 HA ALA 25 -7.207 -2.717 -5.964
187 HB1 ALA 25 3HB ALA 25 -8.373 -3.520 -7.970
188 HB2 ALA 25 1HB ALA 25 -9.096 -2.017 -7.404
189 HB3 ALA 25 2HB ALA 25 -9.903 -3.558 -7.098
190 H GLY 26 H GLY 26 -7.346 -1.431 -4.199
191 HA2 GLY 26 1HA GLY 26 -8.729 0.309 -3.210
192 HA3 GLY 26 2HA GLY 26 -10.011 -0.872 -2.999
193 H GLU 27 H GLU 27 -6.807 -1.937 -2.283
194 HA GLU 27 HA GLU 27 -7.418 -2.421 0.458
195 HB2 GLU 27 1HB GLU 27 -4.721 -2.560 -0.945
196 HB3 GLU 27 2HB GLU 27 -5.074 -3.206 0.655
197 HG2 GLU 27 1HG GLU 27 -6.257 -4.137 -1.966
198 HG3 GLU 27 2HG GLU 27 -5.040 -4.973 -1.013
199 H LEU 28 H LEU 28 -7.200 -1.157 2.141
200 HA LEU 28 HA LEU 28 -6.080 1.518 1.923
201 HB2 LEU 28 1HB LEU 28 -7.438 0.136 4.273
202 HB3 LEU 28 2HB LEU 28 -7.100 1.859 4.142
203 HG LEU 28 HG LEU 28 -9.016 0.317 2.339
204 HD11 LEU 28 1HD1 LEU 28 -9.685 2.202 4.611
205 HD12 LEU 28 2HD1 LEU 28 -9.891 0.449 4.611
206 HD13 LEU 28 3HD1 LEU 28 -10.831 1.441 3.501
207 HD21 LEU 28 3HD2 LEU 28 -8.023 2.240 1.189
208 HD22 LEU 28 1HD2 LEU 28 -8.514 3.307 2.509
209 HD23 LEU 28 2HD2 LEU 28 -9.733 2.510 1.509
210 H ILE 29 H ILE 29 -3.908 1.455 1.976
211 HA ILE 29 HA ILE 29 -2.444 -0.063 4.055
212 HB ILE 29 HB ILE 29 -1.185 1.370 1.658
213 HG12 ILE 29 1HG1 ILE 29 -2.843 -0.242 0.725
214 HG13 ILE 29 2HG1 ILE 29 -1.194 -0.729 0.359
215 HG21 ILE 29 1HG2 ILE 29 0.675 -0.232 2.033
216 HG22 ILE 29 2HG2 ILE 29 -0.200 -0.924 3.400
217 HG23 ILE 29 3HG2 ILE 29 0.350 0.752 3.462
218 HD11 ILE 29 3HD1 ILE 29 -2.583 -2.622 0.931
219 HD12 ILE 29 1HD1 ILE 29 -2.958 -1.909 2.499
220 HD13 ILE 29 2HD1 ILE 29 -1.305 -2.411 2.126
221 H THR 30 H THR 30 -1.176 1.124 5.564
222 HA THR 30 HA THR 30 -1.322 4.092 5.370
223 HB THR 30 HB THR 30 -1.007 2.433 7.919
224 HG1 THR 30 HG1 THR 30 -3.067 2.116 7.033
225 HG21 THR 30 3HG2 THR 30 -1.633 5.387 7.506
226 HG22 THR 30 1HG2 THR 30 -0.102 4.735 8.098
227 HG23 THR 30 2HG2 THR 30 -1.570 4.555 9.062
228 H LEU 31 H LEU 31 0.570 4.996 4.839
229 HA LEU 31 HA LEU 31 3.067 3.726 4.729
230 HB2 LEU 31 1HB LEU 31 2.320 6.671 4.741
231 HB3 LEU 31 2HB LEU 31 3.993 6.145 4.609
232 HG LEU 31 HG LEU 31 1.799 5.411 2.624
233 HD11 LEU 31 1HD1 LEU 31 2.912 6.970 1.076
234 HD12 LEU 31 2HD1 LEU 31 4.018 7.468 2.360
235 HD13 LEU 31 3HD1 LEU 31 2.289 7.801 2.500
236 HD21 LEU 31 3HD2 LEU 31 3.659 4.582 1.215
237 HD22 LEU 31 1HD2 LEU 31 3.545 3.692 2.732
238 HD23 LEU 31 2HD2 LEU 31 4.800 4.915 2.519
239 H LEU 32 H LEU 32 4.406 3.146 6.260
240 HA LEU 32 HA LEU 32 4.115 3.884 9.019
241 HB2 LEU 32 1HB LEU 32 6.322 2.321 7.607
242 HB3 LEU 32 2HB LEU 32 6.089 2.406 9.350
243 HG LEU 32 HG LEU 32 4.219 1.090 7.338
244 HD11 LEU 32 1HD1 LEU 32 4.798 -1.006 8.462
245 HD12 LEU 32 2HD1 LEU 32 5.934 -0.152 9.511
246 HD13 LEU 32 3HD1 LEU 32 6.224 -0.234 7.769
247 HD21 LEU 32 3HD2 LEU 32 2.877 2.119 9.086
248 HD22 LEU 32 1HD2 LEU 32 3.875 1.377 10.340
249 HD23 LEU 32 2HD2 LEU 32 2.878 0.373 9.291
250 H GLN 33 H GLN 33 6.498 4.429 6.454
251 HA GLN 33 HA GLN 33 7.198 7.039 7.479
252 HB2 GLN 33 1HB GLN 33 9.628 6.578 7.640
253 HB3 GLN 33 2HB GLN 33 8.724 5.612 8.798
254 HG2 GLN 33 1HG GLN 33 8.953 3.634 7.406
255 HG3 GLN 33 2HG GLN 33 9.740 4.566 6.137
256 HE21 GLN 33 2HE2 GLN 33 11.419 6.103 7.989
257 HE22 GLN 33 1HE2 GLN 33 12.633 5.008 8.539
258 H VAL 34 H VAL 34 8.741 8.129 5.998
259 HA VAL 34 HA VAL 34 8.596 7.154 3.207
260 HB VAL 34 HB VAL 34 8.507 9.602 2.503
261 HG11 VAL 34 1HG1 VAL 34 6.492 8.178 2.446
262 HG12 VAL 34 2HG1 VAL 34 6.072 9.840 2.862
263 HG13 VAL 34 3HG1 VAL 34 6.128 8.604 4.122
264 HG21 VAL 34 3HG2 VAL 34 9.272 10.682 4.598
265 HG22 VAL 34 1HG2 VAL 34 7.816 10.125 5.428
266 HG23 VAL 34 2HG2 VAL 34 7.692 11.303 4.117
267 HA PRO 35 HA PRO 35 13.011 7.639 4.538
268 HB2 PRO 35 1HB PRO 35 13.990 5.269 3.741
269 HB3 PRO 35 2HB PRO 35 12.905 5.372 5.139
270 HG2 PRO 35 1HG PRO 35 12.245 4.591 2.292
271 HG3 PRO 35 2HG PRO 35 11.761 3.796 3.806
272 HD2 PRO 35 1HD PRO 35 10.146 5.576 2.418
273 HD3 PRO 35 2HD PRO 35 10.007 5.277 4.165
274 H ASP 36 H ASP 36 11.689 7.132 1.339
275 HA ASP 36 HA ASP 36 14.016 8.215 -0.030
276 HB2 ASP 36 1HB ASP 36 14.688 5.861 0.206
277 HB3 ASP 36 2HB ASP 36 13.135 5.312 -0.400
278 H GLY 37 H GLY 37 13.506 9.023 -2.052
279 HA2 GLY 37 1HA GLY 37 10.673 9.299 -2.727
280 HA3 GLY 37 2HA GLY 37 12.018 10.184 -3.426
281 H GLY 38 H GLY 38 10.970 6.777 -3.193
282 HA2 GLY 38 1HA GLY 38 10.611 6.414 -6.006
283 HA3 GLY 38 2HA GLY 38 12.158 5.740 -5.480
284 H TRP 39 H TRP 39 11.807 4.631 -3.181
285 HA TRP 39 HA TRP 39 9.376 2.934 -3.226
286 HB2 TRP 39 1HB TRP 39 12.225 2.242 -2.410
287 HB3 TRP 39 2HB TRP 39 10.859 1.302 -1.829
288 HD1 TRP 39 HD1 TRP 39 12.580 2.228 -5.202
289 HE1 TRP 39 HE1 TRP 39 12.127 0.320 -6.861
290 HE3 TRP 39 HE3 TRP 39 9.431 -0.636 -2.340
291 HZ2 TRP 39 HZ2 TRP 39 10.647 -2.076 -6.966
292 HZ3 TRP 39 HZ3 TRP 39 8.543 -2.726 -3.302
293 HH2 TRP 39 HH2 TRP 39 9.141 -3.434 -5.569
294 H TRP 40 H TRP 40 8.087 3.234 -1.562
295 HA TRP 40 HA TRP 40 9.114 4.221 1.046
296 HB2 TRP 40 1HB TRP 40 6.304 4.570 -0.106
297 HB3 TRP 40 2HB TRP 40 6.881 5.206 1.429
298 HD1 TRP 40 HD1 TRP 40 8.247 7.470 1.361
299 HE1 TRP 40 HE1 TRP 40 8.643 9.232 -0.445
300 HE3 TRP 40 HE3 TRP 40 6.748 4.808 -2.735
301 HZ2 TRP 40 HZ2 TRP 40 8.381 9.483 -3.235
302 HZ3 TRP 40 HZ3 TRP 40 6.841 5.879 -4.937
303 HH2 TRP 40 HH2 TRP 40 7.654 8.174 -5.187
304 H GLU 41 H GLU 41 7.581 3.304 2.878
305 HA GLU 41 HA GLU 41 6.491 0.659 2.132
306 HB2 GLU 41 1HB GLU 41 8.293 1.158 4.543
307 HB3 GLU 41 2HB GLU 41 7.366 -0.318 4.279
308 HG2 GLU 41 1HG GLU 41 8.632 -0.570 2.078
309 HG3 GLU 41 2HG GLU 41 9.678 0.738 2.634
310 H GLY 42 H GLY 42 4.593 0.222 2.893
311 HA2 GLY 42 1HA GLY 42 3.476 1.628 5.249
312 HA3 GLY 42 2HA GLY 42 2.538 1.317 3.789
313 H GLU 43 H GLU 43 1.592 0.376 6.149
314 HA GLU 43 HA GLU 43 2.022 -2.547 5.977
315 HB2 GLU 43 1HB GLU 43 3.050 -1.506 8.034
316 HB3 GLU 43 2HB GLU 43 1.452 -0.965 8.530
317 HG2 GLU 43 1HG GLU 43 0.704 -3.244 8.841
318 HG3 GLU 43 2HG GLU 43 2.173 -3.885 8.106
319 H LYS 44 H LYS 44 0.226 -3.818 6.341
320 HA LYS 44 HA LYS 44 -2.382 -2.639 5.761
321 HB2 LYS 44 1HB LYS 44 -1.065 -5.155 5.156
322 HB3 LYS 44 2HB LYS 44 -2.502 -5.539 6.087
323 HG2 LYS 44 1HG LYS 44 -2.356 -4.067 3.446
324 HG3 LYS 44 2HG LYS 44 -3.069 -5.651 3.771
325 HD2 LYS 44 1HD LYS 44 -4.682 -4.343 5.372
326 HD3 LYS 44 2HD LYS 44 -4.116 -2.900 4.522
327 HE2 LYS 44 1HE LYS 44 -6.178 -3.673 3.506
328 HE3 LYS 44 2HE LYS 44 -4.852 -3.937 2.373
329 HZ1 LYS 44 3HZ LYS 44 -5.904 -6.044 4.183
330 HZ2 LYS 44 1HZ LYS 44 -4.817 -6.234 2.895
331 HZ3 LYS 44 2HZ LYS 44 -6.427 -5.828 2.588
332 H GLU 45 H GLU 45 -4.290 -3.314 7.012
333 HA GLU 45 HA GLU 45 -4.121 -3.268 9.834
334 HB2 GLU 45 1HB GLU 45 -6.344 -4.173 7.959
335 HB3 GLU 45 2HB GLU 45 -6.558 -3.990 9.697
336 HG2 GLU 45 1HG GLU 45 -5.810 -1.771 7.765
337 HG3 GLU 45 2HG GLU 45 -7.419 -2.046 8.434
338 H ASP 46 H ASP 46 -3.966 -5.850 7.525
339 HA ASP 46 HA ASP 46 -4.421 -8.138 9.093
340 HB2 ASP 46 1HB ASP 46 -2.494 -7.776 6.747
341 HB3 ASP 46 2HB ASP 46 -3.066 -9.325 7.365
342 H GLY 47 H GLY 47 -1.760 -5.940 9.036
343 HA2 GLY 47 1HA GLY 47 -0.254 -5.753 10.865
344 HA3 GLY 47 2HA GLY 47 -0.314 -7.495 11.096
345 H LEU 48 H LEU 48 -0.112 -7.711 8.030
346 HA LEU 48 HA LEU 48 2.783 -7.881 7.882
347 HB2 LEU 48 1HB LEU 48 0.603 -8.509 5.836
348 HB3 LEU 48 2HB LEU 48 2.315 -8.718 5.523
349 HG LEU 48 HG LEU 48 1.473 -10.878 6.012
350 HD11 LEU 48 1HD1 LEU 48 2.707 -11.577 7.983
351 HD12 LEU 48 2HD1 LEU 48 2.804 -9.908 8.547
352 HD13 LEU 48 3HD1 LEU 48 3.628 -10.389 7.061
353 HD21 LEU 48 3HD2 LEU 48 0.146 -9.781 8.512
354 HD22 LEU 48 1HD2 LEU 48 0.172 -11.474 8.005
355 HD23 LEU 48 2HD2 LEU 48 -0.667 -10.274 7.023
356 H ARG 49 H ARG 49 4.118 -6.494 6.887
357 HA ARG 49 HA ARG 49 2.967 -4.123 5.547
358 HB2 ARG 49 1HB ARG 49 4.980 -2.912 6.106
359 HB3 ARG 49 2HB ARG 49 4.360 -3.659 7.573
360 HG2 ARG 49 1HG ARG 49 6.081 -5.435 7.380
361 HG3 ARG 49 2HG ARG 49 6.699 -4.658 5.917
362 HD2 ARG 49 1HD ARG 49 7.126 -2.580 7.294
363 HD3 ARG 49 2HD ARG 49 6.693 -3.514 8.730
364 HE ARG 49 HE ARG 49 8.602 -4.930 8.334
365 HH11 ARG 49 1HH1 ARG 49 8.571 -1.967 6.444
366 HH12 ARG 49 2HH1 ARG 49 10.272 -2.000 6.133
367 HH21 ARG 49 1HH2 ARG 49 10.831 -4.948 7.936
368 HH22 ARG 49 2HH2 ARG 49 11.555 -3.676 7.010
369 H GLY 50 H GLY 50 3.703 -3.474 3.620
370 HA2 GLY 50 1HA GLY 50 5.976 -4.219 2.214
371 HA3 GLY 50 2HA GLY 50 4.685 -5.318 1.707
372 H TRP 51 H TRP 51 5.985 -3.250 0.108
373 HA TRP 51 HA TRP 51 3.662 -1.797 -0.781
374 HB2 TRP 51 1HB TRP 51 5.067 -0.556 1.266
375 HB3 TRP 51 2HB TRP 51 5.885 0.122 -0.131
376 HD1 TRP 51 HD1 TRP 51 2.242 -0.297 1.150
377 HE1 TRP 51 HE1 TRP 51 0.918 1.799 0.499
378 HE3 TRP 51 HE3 TRP 51 5.862 2.168 -1.450
379 HZ2 TRP 51 HZ2 TRP 51 1.338 4.172 -0.942
380 HZ3 TRP 51 HZ3 TRP 51 5.304 4.335 -2.442
381 HH2 TRP 51 HH2 TRP 51 3.103 5.329 -2.195
382 H PHE 52 H PHE 52 4.407 -0.135 -2.481
383 HA PHE 52 HA PHE 52 6.494 -1.106 -4.282
384 HB2 PHE 52 1HB PHE 52 3.517 -1.190 -5.042
385 HB3 PHE 52 2HB PHE 52 4.840 -1.388 -6.181
386 HD1 PHE 52 HD2 PHE 52 6.354 -3.427 -5.985
387 HD2 PHE 52 HD1 PHE 52 2.708 -3.061 -3.777
388 HE1 PHE 52 HE2 PHE 52 6.340 -5.859 -5.594
389 HE2 PHE 52 HE1 PHE 52 2.706 -5.486 -3.386
390 HZ PHE 52 HZ PHE 52 4.515 -6.885 -4.291
391 HA PRO 53 HA PRO 53 6.982 3.238 -5.324
392 HB2 PRO 53 1HB PRO 53 6.505 2.335 -8.188
393 HB3 PRO 53 2HB PRO 53 7.729 3.454 -7.559
394 HG2 PRO 53 1HG PRO 53 8.394 0.947 -8.107
395 HG3 PRO 53 2HG PRO 53 9.020 1.719 -6.633
396 HD2 PRO 53 1HD PRO 53 6.861 -0.345 -6.927
397 HD3 PRO 53 2HD PRO 53 8.018 -0.109 -5.600
398 H ALA 54 H ALA 54 5.779 5.095 -5.818
399 HA ALA 54 HA ALA 54 3.064 4.941 -5.161
400 HB1 ALA 54 3HB ALA 54 4.479 6.907 -4.665
401 HB2 ALA 54 1HB ALA 54 2.988 7.374 -5.490
402 HB3 ALA 54 2HB ALA 54 4.512 7.313 -6.381
403 H SER 55 H SER 55 4.554 4.841 -8.290
404 HA SER 55 HA SER 55 2.531 5.663 -10.031
405 HB2 SER 55 1HB SER 55 4.550 3.428 -10.476
406 HB3 SER 55 2HB SER 55 3.717 4.357 -11.726
407 HG SER 55 HG SER 55 5.964 4.983 -11.010
408 H TYR 56 H TYR 56 2.814 2.664 -8.224
409 HA TYR 56 HA TYR 56 0.796 1.188 -9.686
410 HB2 TYR 56 1HB TYR 56 2.212 0.662 -7.039
411 HB3 TYR 56 2HB TYR 56 1.044 -0.445 -7.745
412 HD1 TYR 56 HD2 TYR 56 1.597 -1.669 -9.865
413 HD2 TYR 56 HD1 TYR 56 4.513 0.752 -7.887
414 HE1 TYR 56 HE2 TYR 56 3.372 -2.786 -11.126
415 HE2 TYR 56 HE1 TYR 56 6.294 -0.374 -9.157
416 HH TYR 56 HH TYR 56 6.613 -2.592 -10.309
417 H VAL 57 H VAL 57 0.805 3.420 -7.003
418 HA VAL 57 HA VAL 57 -1.914 2.574 -6.140
419 HB VAL 57 HB VAL 57 -1.218 3.150 -3.786
420 HG11 VAL 57 1HG1 VAL 57 0.447 0.950 -5.083
421 HG12 VAL 57 2HG1 VAL 57 -1.207 0.788 -4.489
422 HG13 VAL 57 3HG1 VAL 57 0.108 1.093 -3.353
423 HG21 VAL 57 3HG2 VAL 57 1.582 3.343 -4.979
424 HG22 VAL 57 1HG2 VAL 57 1.201 3.365 -3.256
425 HG23 VAL 57 2HG2 VAL 57 0.650 4.676 -4.296
426 H GLN 58 H GLN 58 -2.576 4.388 -4.366
427 HA GLN 58 HA GLN 58 -2.277 7.101 -5.510
428 HB2 GLN 58 1HB GLN 58 -4.578 6.228 -5.833
429 HB3 GLN 58 2HB GLN 58 -4.692 5.828 -4.125
430 HG2 GLN 58 1HG GLN 58 -5.955 7.804 -4.440
431 HG3 GLN 58 2HG GLN 58 -4.477 8.300 -3.626
432 HE21 GLN 58 2HE2 GLN 58 -6.290 9.952 -5.103
433 HE22 GLN 58 1HE2 GLN 58 -5.411 10.636 -6.423
434 H LEU 59 H LEU 59 -1.718 8.691 -4.041
435 HA LEU 59 HA LEU 59 -1.225 7.921 -1.229
436 HB2 LEU 59 1HB LEU 59 -0.114 10.231 -2.886
437 HB3 LEU 59 2HB LEU 59 0.248 9.953 -1.186
438 HG LEU 59 HG LEU 59 0.987 8.058 -3.457
439 HD11 LEU 59 1HD1 LEU 59 2.297 10.117 -3.567
440 HD12 LEU 59 2HD1 LEU 59 3.303 8.758 -3.076
441 HD13 LEU 59 3HD1 LEU 59 2.766 9.937 -1.874
442 HD21 LEU 59 3HD2 LEU 59 1.691 7.926 -0.506
443 HD22 LEU 59 1HD2 LEU 59 2.331 6.867 -1.767
444 HD23 LEU 59 2HD2 LEU 59 0.615 6.832 -1.379
445 H LEU 60 H LEU 60 -2.700 8.571 0.173
446 HA LEU 60 HA LEU 60 -3.828 11.268 0.028
447 HB2 LEU 60 1HB LEU 60 -6.081 10.415 0.772
448 HB3 LEU 60 2HB LEU 60 -5.670 10.076 -0.893
449 HG LEU 60 HG LEU 60 -5.456 7.968 1.307
450 HD11 LEU 60 1HD1 LEU 60 -7.612 7.075 0.544
451 HD12 LEU 60 2HD1 LEU 60 -7.812 8.450 -0.547
452 HD13 LEU 60 3HD1 LEU 60 -7.784 8.703 1.201
453 HD21 LEU 60 3HD2 LEU 60 -5.581 7.687 -1.714
454 HD22 LEU 60 1HD2 LEU 60 -5.506 6.359 -0.547
455 HD23 LEU 60 2HD2 LEU 60 -4.149 7.470 -0.703
Start of MODEL 13
1 H1 MET 1 1H MET 1 5.591 12.332 12.773
2 H2 MET 1 2H MET 1 4.740 10.886 12.974
3 H3 MET 1 3H MET 1 4.585 12.120 14.117
4 HA MET 1 HA MET 1 2.647 12.037 12.722
5 HB2 MET 1 1HB MET 1 4.430 14.442 12.138
6 HB3 MET 1 2HB MET 1 2.687 14.403 11.901
7 HG2 MET 1 1HG MET 1 2.379 14.085 14.331
8 HG3 MET 1 2HG MET 1 4.128 14.164 14.552
9 HE1 MET 1 3HE MET 1 4.848 17.901 13.442
10 HE2 MET 1 1HE MET 1 4.869 16.487 12.390
11 HE3 MET 1 2HE MET 1 5.578 16.396 14.003
12 H SER 2 H SER 2 2.035 11.016 10.904
13 HA SER 2 HA SER 2 3.269 11.678 8.330
14 HB2 SER 2 1HB SER 2 4.452 9.609 9.134
15 HB3 SER 2 2HB SER 2 2.902 8.781 9.238
16 HG SER 2 HG SER 2 3.128 8.342 7.201
17 H GLY 3 H GLY 3 1.312 12.845 8.042
18 HA2 GLY 3 1HA GLY 3 -1.241 11.451 7.833
19 HA3 GLY 3 2HA GLY 3 -0.915 13.135 7.439
20 H ALA 4 H ALA 4 0.127 9.918 6.353
21 HA ALA 4 HA ALA 4 -0.181 10.683 3.521
22 HB1 ALA 4 3HB ALA 4 2.205 10.957 4.120
23 HB2 ALA 4 1HB ALA 4 1.986 9.616 2.994
24 HB3 ALA 4 2HB ALA 4 2.258 9.296 4.709
25 H ARG 5 H ARG 5 -1.645 9.336 2.763
26 HA ARG 5 HA ARG 5 -1.498 6.438 3.328
27 HB2 ARG 5 1HB ARG 5 -3.998 8.171 3.109
28 HB3 ARG 5 2HB ARG 5 -4.039 6.411 3.005
29 HG2 ARG 5 1HG ARG 5 -3.170 6.256 5.311
30 HG3 ARG 5 2HG ARG 5 -3.113 8.019 5.411
31 HD2 ARG 5 1HD ARG 5 -5.567 8.121 5.118
32 HD3 ARG 5 2HD ARG 5 -5.634 6.358 4.994
33 HE ARG 5 HE ARG 5 -5.016 6.196 7.289
34 HH11 ARG 5 1HH1 ARG 5 -5.719 9.514 6.345
35 HH12 ARG 5 2HH1 ARG 5 -5.972 10.041 7.975
36 HH21 ARG 5 1HH2 ARG 5 -5.342 6.895 9.404
37 HH22 ARG 5 2HH2 ARG 5 -5.773 8.545 9.712
38 H CYS 6 H CYS 6 -2.135 5.128 1.627
39 HA CYS 6 HA CYS 6 -2.454 6.330 -1.056
40 HB2 CYS 6 1HB CYS 6 -0.998 3.748 -0.327
41 HB3 CYS 6 2HB CYS 6 -1.243 4.366 -1.961
42 HG CYS 6 HG CYS 6 0.221 6.632 -0.074
43 H ARG 7 H ARG 7 -3.424 4.571 -2.548
44 HA ARG 7 HA ARG 7 -5.163 2.593 -1.349
45 HB2 ARG 7 1HB ARG 7 -6.442 4.747 -1.165
46 HB3 ARG 7 2HB ARG 7 -6.324 4.955 -2.901
47 HG2 ARG 7 1HG ARG 7 -7.624 2.443 -1.883
48 HG3 ARG 7 2HG ARG 7 -8.508 3.961 -1.706
49 HD2 ARG 7 1HD ARG 7 -7.442 2.822 -4.318
50 HD3 ARG 7 2HD ARG 7 -9.123 2.788 -3.789
51 HE ARG 7 HE ARG 7 -9.003 5.293 -3.851
52 HH11 ARG 7 1HH1 ARG 7 -6.876 3.407 -5.949
53 HH12 ARG 7 2HH1 ARG 7 -6.778 4.662 -7.145
54 HH21 ARG 7 1HH2 ARG 7 -8.817 6.909 -5.423
55 HH22 ARG 7 2HH2 ARG 7 -7.871 6.623 -6.845
56 H THR 8 H THR 8 -5.272 0.909 -2.758
57 HA THR 8 HA THR 8 -3.590 0.833 -5.034
58 HB THR 8 HB THR 8 -4.568 -1.515 -5.323
59 HG1 THR 8 HG1 THR 8 -5.764 -1.932 -3.095
60 HG21 THR 8 3HG2 THR 8 -3.564 -0.848 -2.530
61 HG22 THR 8 1HG2 THR 8 -2.540 -1.134 -3.942
62 HG23 THR 8 2HG2 THR 8 -3.539 -2.436 -3.297
63 H LEU 9 H LEU 9 -4.089 0.537 -7.191
64 HA LEU 9 HA LEU 9 -6.467 1.856 -8.160
65 HB2 LEU 9 1HB LEU 9 -4.138 0.554 -9.621
66 HB3 LEU 9 2HB LEU 9 -5.397 1.514 -10.391
67 HG LEU 9 HG LEU 9 -3.415 2.564 -8.325
68 HD11 LEU 9 1HD1 LEU 9 -3.454 2.990 -11.330
69 HD12 LEU 9 2HD1 LEU 9 -2.286 2.029 -10.417
70 HD13 LEU 9 3HD1 LEU 9 -2.365 3.771 -10.179
71 HD21 LEU 9 3HD2 LEU 9 -5.507 4.055 -9.953
72 HD22 LEU 9 1HD2 LEU 9 -4.293 4.797 -8.903
73 HD23 LEU 9 2HD2 LEU 9 -5.539 3.766 -8.211
74 H TYR 10 H TYR 10 -4.957 -1.338 -8.775
75 HA TYR 10 HA TYR 10 -7.578 -2.611 -9.186
76 HB2 TYR 10 1HB TYR 10 -5.335 -2.523 -11.272
77 HB3 TYR 10 2HB TYR 10 -6.728 -3.588 -11.377
78 HD1 TYR 10 HD2 TYR 10 -9.097 -2.398 -11.278
79 HD2 TYR 10 HD1 TYR 10 -5.472 -0.401 -12.362
80 HE1 TYR 10 HE2 TYR 10 -10.399 -0.622 -12.366
81 HE2 TYR 10 HE1 TYR 10 -6.783 1.380 -13.439
82 HH TYR 10 HH TYR 10 -8.999 1.695 -14.432
83 HA PRO 11 HA PRO 11 -5.730 -6.157 -7.165
84 HB2 PRO 11 1HB PRO 11 -6.531 -8.034 -9.364
85 HB3 PRO 11 2HB PRO 11 -6.991 -8.041 -7.657
86 HG2 PRO 11 1HG PRO 11 -8.735 -7.295 -9.555
87 HG3 PRO 11 2HG PRO 11 -8.701 -6.490 -7.974
88 HD2 PRO 11 1HD PRO 11 -7.561 -5.545 -10.602
89 HD3 PRO 11 2HD PRO 11 -8.456 -4.632 -9.363
90 H PHE 12 H PHE 12 -3.580 -6.474 -7.067
91 HA PHE 12 HA PHE 12 -1.956 -6.813 -9.485
92 HB2 PHE 12 1HB PHE 12 -0.024 -6.423 -8.086
93 HB3 PHE 12 2HB PHE 12 -1.225 -5.213 -7.666
94 HD1 PHE 12 HD1 PHE 12 -2.714 -5.730 -5.555
95 HD2 PHE 12 HD2 PHE 12 1.004 -7.686 -6.369
96 HE1 PHE 12 HE1 PHE 12 -2.518 -6.370 -3.192
97 HE2 PHE 12 HE2 PHE 12 1.185 -8.314 -3.999
98 HZ PHE 12 HZ PHE 12 -0.577 -7.657 -2.412
99 H SER 13 H SER 13 -0.799 -8.673 -9.913
100 HA SER 13 HA SER 13 -1.287 -11.051 -8.210
101 HB2 SER 13 1HB SER 13 -1.307 -10.977 -11.267
102 HB3 SER 13 2HB SER 13 -1.507 -12.421 -10.267
103 HG SER 13 HG SER 13 -3.295 -10.380 -10.848
104 H GLY 14 H GLY 14 0.668 -10.242 -11.120
105 HA2 GLY 14 1HA GLY 14 2.952 -10.436 -11.482
106 HA3 GLY 14 2HA GLY 14 3.182 -10.952 -9.816
107 H GLU 15 H GLU 15 4.328 -12.147 -12.158
108 HA GLU 15 HA GLU 15 2.900 -14.520 -12.927
109 HB2 GLU 15 1HB GLU 15 5.775 -13.612 -13.388
110 HB3 GLU 15 2HB GLU 15 5.125 -15.113 -14.038
111 HG2 GLU 15 1HG GLU 15 5.128 -13.375 -15.743
112 HG3 GLU 15 2HG GLU 15 3.482 -13.869 -15.362
113 H ARG 16 H ARG 16 5.313 -13.749 -10.510
114 HA ARG 16 HA ARG 16 4.985 -16.227 -9.093
115 HB2 ARG 16 1HB ARG 16 6.557 -16.988 -10.827
116 HB3 ARG 16 2HB ARG 16 7.639 -15.640 -10.488
117 HG2 ARG 16 1HG ARG 16 8.059 -16.581 -8.222
118 HG3 ARG 16 2HG ARG 16 7.002 -17.940 -8.608
119 HD2 ARG 16 1HD ARG 16 8.516 -18.611 -10.433
120 HD3 ARG 16 2HD ARG 16 9.568 -17.237 -10.073
121 HE ARG 16 HE ARG 16 9.947 -18.278 -7.846
122 HH11 ARG 16 1HH1 ARG 16 8.910 -20.351 -10.487
123 HH12 ARG 16 2HH1 ARG 16 9.623 -21.775 -9.803
124 HH21 ARG 16 1HH2 ARG 16 10.916 -20.135 -7.006
125 HH22 ARG 16 2HH2 ARG 16 10.758 -21.648 -7.829
126 H HIS 17 H HIS 17 5.285 -15.798 -6.978
127 HA HIS 17 HA HIS 17 7.266 -14.031 -5.914
128 HB2 HIS 17 1HB HIS 17 5.655 -12.444 -4.764
129 HB3 HIS 17 2HB HIS 17 5.731 -12.239 -6.507
130 HD2 HIS 17 HD2 HIS 17 3.453 -13.652 -7.833
131 HE1 HIS 17 HE1 HIS 17 0.975 -12.818 -4.516
132 HE2 HIS 17 HE2 HIS 17 1.037 -13.299 -6.999
133 H GLY 18 H GLY 18 7.942 -15.151 -4.206
134 HA2 GLY 18 1HA GLY 18 6.652 -17.354 -3.012
135 HA3 GLY 18 2HA GLY 18 8.050 -16.510 -2.365
136 H GLN 19 H GLN 19 7.167 -14.056 -1.777
137 HA GLN 19 HA GLN 19 4.610 -14.046 -0.424
138 HB2 GLN 19 1HB GLN 19 6.174 -15.091 1.277
139 HB3 GLN 19 2HB GLN 19 7.149 -13.625 1.243
140 HG2 GLN 19 1HG GLN 19 5.084 -12.355 1.992
141 HG3 GLN 19 2HG GLN 19 4.286 -13.905 2.223
142 HE21 GLN 19 2HE2 GLN 19 4.994 -15.248 3.936
143 HE22 GLN 19 1HE2 GLN 19 5.932 -14.634 5.247
144 H GLY 20 H GLY 20 3.855 -11.996 -0.044
145 HA2 GLY 20 1HA GLY 20 5.581 -9.635 -0.129
146 HA3 GLY 20 2HA GLY 20 4.330 -9.740 -1.376
147 H LEU 21 H LEU 21 3.608 -7.702 -0.199
148 HA LEU 21 HA LEU 21 1.981 -8.320 2.185
149 HB2 LEU 21 1HB LEU 21 3.445 -6.316 2.316
150 HB3 LEU 21 2HB LEU 21 2.648 -5.631 0.908
151 HG LEU 21 HG LEU 21 0.543 -5.388 2.146
152 HD11 LEU 21 1HD1 LEU 21 0.383 -5.912 4.552
153 HD12 LEU 21 2HD1 LEU 21 1.976 -6.665 4.492
154 HD13 LEU 21 3HD1 LEU 21 0.637 -7.354 3.572
155 HD21 LEU 21 3HD2 LEU 21 2.894 -4.260 3.711
156 HD22 LEU 21 1HD2 LEU 21 1.227 -3.676 3.790
157 HD23 LEU 21 2HD2 LEU 21 2.141 -3.532 2.290
158 H ARG 22 H ARG 22 -0.144 -8.603 2.002
159 HA ARG 22 HA ARG 22 -1.365 -8.767 -0.611
160 HB2 ARG 22 1HB ARG 22 -1.703 -10.447 1.297
161 HB3 ARG 22 2HB ARG 22 -2.691 -9.238 2.094
162 HG2 ARG 22 1HG ARG 22 -4.318 -10.530 1.053
163 HG3 ARG 22 2HG ARG 22 -4.074 -9.260 -0.146
164 HD2 ARG 22 1HD ARG 22 -2.933 -12.084 -0.221
165 HD3 ARG 22 2HD ARG 22 -4.194 -11.428 -1.258
166 HE ARG 22 HE ARG 22 -2.510 -10.002 -2.299
167 HH11 ARG 22 1HH1 ARG 22 -1.269 -12.701 -0.414
168 HH12 ARG 22 2HH1 ARG 22 0.254 -12.731 -1.235
169 HH21 ARG 22 1HH2 ARG 22 -0.483 -10.064 -3.365
170 HH22 ARG 22 2HH2 ARG 22 0.695 -11.250 -2.907
171 H PHE 23 H PHE 23 -2.732 -7.313 -1.527
172 HA PHE 23 HA PHE 23 -4.302 -5.459 0.154
173 HB2 PHE 23 1HB PHE 23 -3.109 -4.684 -2.552
174 HB3 PHE 23 2HB PHE 23 -4.086 -3.659 -1.510
175 HD1 PHE 23 HD2 PHE 23 -3.029 -3.419 0.989
176 HD2 PHE 23 HD1 PHE 23 -0.824 -4.247 -2.578
177 HE1 PHE 23 HE2 PHE 23 -0.993 -2.525 2.035
178 HE2 PHE 23 HE1 PHE 23 1.202 -3.347 -1.525
179 HZ PHE 23 HZ PHE 23 1.123 -2.490 0.779
180 H ALA 24 H ALA 24 -6.408 -5.172 -0.577
181 HA ALA 24 HA ALA 24 -7.409 -6.810 -2.796
182 HB1 ALA 24 3HB ALA 24 -8.913 -5.070 -0.797
183 HB2 ALA 24 1HB ALA 24 -8.683 -6.817 -0.673
184 HB3 ALA 24 2HB ALA 24 -9.651 -6.144 -1.988
185 H ALA 25 H ALA 25 -8.967 -5.688 -4.339
186 HA ALA 25 HA ALA 25 -7.783 -3.465 -5.671
187 HB1 ALA 25 3HB ALA 25 -9.123 -5.186 -6.853
188 HB2 ALA 25 1HB ALA 25 -9.750 -3.564 -7.153
189 HB3 ALA 25 2HB ALA 25 -10.576 -4.634 -6.019
190 H GLY 26 H GLY 26 -7.904 -1.365 -5.094
191 HA2 GLY 26 1HA GLY 26 -8.791 0.672 -4.500
192 HA3 GLY 26 2HA GLY 26 -10.371 -0.076 -4.314
193 H GLU 27 H GLU 27 -7.770 -1.562 -2.602
194 HA GLU 27 HA GLU 27 -8.840 -0.649 -0.029
195 HB2 GLU 27 1HB GLU 27 -7.841 -3.153 -0.921
196 HB3 GLU 27 2HB GLU 27 -6.594 -2.571 0.164
197 HG2 GLU 27 1HG GLU 27 -9.526 -2.774 0.936
198 HG3 GLU 27 2HG GLU 27 -8.361 -4.075 1.186
199 H LEU 28 H LEU 28 -7.612 0.370 1.529
200 HA LEU 28 HA LEU 28 -5.732 2.291 0.548
201 HB2 LEU 28 1HB LEU 28 -6.849 1.788 3.337
202 HB3 LEU 28 2HB LEU 28 -5.753 3.103 2.953
203 HG LEU 28 HG LEU 28 -7.495 3.991 1.340
204 HD11 LEU 28 1HD1 LEU 28 -9.346 1.973 2.642
205 HD12 LEU 28 2HD1 LEU 28 -8.837 1.990 0.951
206 HD13 LEU 28 3HD1 LEU 28 -9.837 3.297 1.581
207 HD21 LEU 28 3HD2 LEU 28 -7.150 4.982 3.537
208 HD22 LEU 28 1HD2 LEU 28 -8.288 3.840 4.262
209 HD23 LEU 28 2HD2 LEU 28 -8.855 5.039 3.094
210 H ILE 29 H ILE 29 -3.690 2.793 1.707
211 HA ILE 29 HA ILE 29 -2.283 0.514 2.961
212 HB ILE 29 HB ILE 29 -0.955 2.448 0.977
213 HG12 ILE 29 1HG1 ILE 29 -0.534 0.194 -0.358
214 HG13 ILE 29 2HG1 ILE 29 -1.908 -0.410 0.551
215 HG21 ILE 29 1HG2 ILE 29 0.206 0.044 2.450
216 HG22 ILE 29 2HG2 ILE 29 0.578 1.743 2.757
217 HG23 ILE 29 3HG2 ILE 29 1.059 0.999 1.231
218 HD11 ILE 29 3HD1 ILE 29 -2.549 0.300 -1.652
219 HD12 ILE 29 1HD1 ILE 29 -1.916 1.917 -1.364
220 HD13 ILE 29 2HD1 ILE 29 -3.311 1.337 -0.453
221 H THR 30 H THR 30 -1.650 1.151 4.951
222 HA THR 30 HA THR 30 -1.502 3.960 5.736
223 HB THR 30 HB THR 30 -0.979 1.400 7.334
224 HG1 THR 30 HG1 THR 30 -3.052 1.447 7.832
225 HG21 THR 30 3HG2 THR 30 0.169 3.332 8.368
226 HG22 THR 30 1HG2 THR 30 -1.199 2.815 9.352
227 HG23 THR 30 2HG2 THR 30 -1.337 4.252 8.337
228 H LEU 31 H LEU 31 0.328 5.000 5.037
229 HA LEU 31 HA LEU 31 2.864 3.654 4.652
230 HB2 LEU 31 1HB LEU 31 2.190 6.622 4.504
231 HB3 LEU 31 2HB LEU 31 3.704 5.890 3.982
232 HG LEU 31 HG LEU 31 0.968 5.392 2.726
233 HD11 LEU 31 1HD1 LEU 31 1.797 7.638 2.251
234 HD12 LEU 31 2HD1 LEU 31 1.832 6.645 0.800
235 HD13 LEU 31 3HD1 LEU 31 3.332 6.981 1.670
236 HD21 LEU 31 3HD2 LEU 31 3.692 4.322 1.871
237 HD22 LEU 31 1HD2 LEU 31 2.179 4.129 0.977
238 HD23 LEU 31 2HD2 LEU 31 2.369 3.376 2.557
239 H LEU 32 H LEU 32 3.955 3.062 6.394
240 HA LEU 32 HA LEU 32 3.885 4.486 8.927
241 HB2 LEU 32 1HB LEU 32 5.436 2.008 8.074
242 HB3 LEU 32 2HB LEU 32 5.279 2.598 9.727
243 HG LEU 32 HG LEU 32 3.007 1.520 7.999
244 HD11 LEU 32 1HD1 LEU 32 4.455 0.272 10.357
245 HD12 LEU 32 2HD1 LEU 32 4.499 -0.259 8.670
246 HD13 LEU 32 3HD1 LEU 32 3.002 -0.372 9.588
247 HD21 LEU 32 3HD2 LEU 32 2.937 2.445 10.900
248 HD22 LEU 32 1HD2 LEU 32 1.611 1.667 10.028
249 HD23 LEU 32 2HD2 LEU 32 2.178 3.256 9.528
250 H GLN 33 H GLN 33 6.417 3.447 6.603
251 HA GLN 33 HA GLN 33 8.128 5.720 7.402
252 HB2 GLN 33 1HB GLN 33 8.861 3.190 5.849
253 HB3 GLN 33 2HB GLN 33 9.949 4.545 6.077
254 HG2 GLN 33 1HG GLN 33 10.655 2.949 7.641
255 HG3 GLN 33 2HG GLN 33 9.731 4.114 8.586
256 HE21 GLN 33 2HE2 GLN 33 9.741 0.902 7.198
257 HE22 GLN 33 1HE2 GLN 33 8.475 0.249 8.175
258 H VAL 34 H VAL 34 8.789 7.191 5.840
259 HA VAL 34 HA VAL 34 7.891 6.823 3.050
260 HB VAL 34 HB VAL 34 7.542 9.354 2.912
261 HG11 VAL 34 1HG1 VAL 34 5.630 7.804 2.973
262 HG12 VAL 34 2HG1 VAL 34 5.242 9.298 3.828
263 HG13 VAL 34 3HG1 VAL 34 5.636 7.837 4.741
264 HG21 VAL 34 3HG2 VAL 34 7.564 9.201 5.958
265 HG22 VAL 34 1HG2 VAL 34 7.077 10.611 5.010
266 HG23 VAL 34 2HG2 VAL 34 8.749 10.043 4.959
267 HA PRO 35 HA PRO 35 12.525 7.588 3.284
268 HB2 PRO 35 1HB PRO 35 13.336 5.442 1.788
269 HB3 PRO 35 2HB PRO 35 13.025 5.327 3.525
270 HG2 PRO 35 1HG PRO 35 11.240 4.562 1.224
271 HG3 PRO 35 2HG PRO 35 11.571 3.665 2.721
272 HD2 PRO 35 1HD PRO 35 9.308 5.165 2.382
273 HD3 PRO 35 2HD PRO 35 10.075 4.948 3.970
274 H ASP 36 H ASP 36 13.389 8.977 1.890
275 HA ASP 36 HA ASP 36 13.879 10.260 0.129
276 HB2 ASP 36 1HB ASP 36 14.909 8.349 -0.883
277 HB3 ASP 36 2HB ASP 36 13.362 7.661 -1.351
278 H GLY 37 H GLY 37 11.382 8.492 -1.707
279 HA2 GLY 37 1HA GLY 37 9.170 10.049 -1.564
280 HA3 GLY 37 2HA GLY 37 10.236 11.022 -2.573
281 H GLY 38 H GLY 38 9.893 7.478 -2.470
282 HA2 GLY 38 1HA GLY 38 8.523 7.406 -5.080
283 HA3 GLY 38 2HA GLY 38 10.102 6.630 -4.954
284 H TRP 39 H TRP 39 10.352 4.788 -3.632
285 HA TRP 39 HA TRP 39 7.966 3.183 -3.185
286 HB2 TRP 39 1HB TRP 39 10.900 2.535 -2.628
287 HB3 TRP 39 2HB TRP 39 9.566 1.397 -2.475
288 HD1 TRP 39 HD1 TRP 39 10.794 3.711 -5.385
289 HE1 TRP 39 HE1 TRP 39 10.924 2.294 -7.518
290 HE3 TRP 39 HE3 TRP 39 9.229 -0.788 -3.497
291 HZ2 TRP 39 HZ2 TRP 39 10.440 -0.358 -8.320
292 HZ3 TRP 39 HZ3 TRP 39 9.096 -2.722 -5.021
293 HH2 TRP 39 HH2 TRP 39 9.690 -2.513 -7.389
294 H TRP 40 H TRP 40 6.846 3.434 -1.356
295 HA TRP 40 HA TRP 40 8.226 4.258 1.136
296 HB2 TRP 40 1HB TRP 40 5.353 4.835 0.261
297 HB3 TRP 40 2HB TRP 40 6.029 5.239 1.838
298 HD1 TRP 40 HD1 TRP 40 8.834 6.420 0.869
299 HE1 TRP 40 HE1 TRP 40 8.900 8.720 -0.235
300 HE3 TRP 40 HE3 TRP 40 3.993 6.679 -0.735
301 HZ2 TRP 40 HZ2 TRP 40 7.157 10.425 -1.644
302 HZ3 TRP 40 HZ3 TRP 40 3.282 8.679 -1.969
303 HH2 TRP 40 HH2 TRP 40 4.822 10.520 -2.413
304 H GLU 41 H GLU 41 7.659 3.256 3.056
305 HA GLU 41 HA GLU 41 6.854 0.458 2.744
306 HB2 GLU 41 1HB GLU 41 8.130 1.873 5.126
307 HB3 GLU 41 2HB GLU 41 7.841 0.139 4.989
308 HG2 GLU 41 1HG GLU 41 9.426 0.006 3.119
309 HG3 GLU 41 2HG GLU 41 9.688 1.749 3.200
310 H GLY 42 H GLY 42 4.904 -0.150 3.272
311 HA2 GLY 42 1HA GLY 42 3.318 1.248 5.341
312 HA3 GLY 42 2HA GLY 42 2.638 0.730 3.802
313 H GLU 43 H GLU 43 1.497 -0.104 6.099
314 HA GLU 43 HA GLU 43 2.103 -3.012 6.168
315 HB2 GLU 43 1HB GLU 43 2.646 -1.789 8.302
316 HB3 GLU 43 2HB GLU 43 0.965 -1.285 8.419
317 HG2 GLU 43 1HG GLU 43 0.284 -3.655 8.616
318 HG3 GLU 43 2HG GLU 43 1.975 -4.146 8.491
319 H LYS 44 H LYS 44 0.232 -4.372 6.293
320 HA LYS 44 HA LYS 44 -2.394 -3.076 5.934
321 HB2 LYS 44 1HB LYS 44 -1.374 -3.989 3.751
322 HB3 LYS 44 2HB LYS 44 -1.565 -5.596 4.435
323 HG2 LYS 44 1HG LYS 44 -3.395 -5.214 2.940
324 HG3 LYS 44 2HG LYS 44 -4.055 -5.167 4.568
325 HD2 LYS 44 1HD LYS 44 -3.317 -2.627 3.059
326 HD3 LYS 44 2HD LYS 44 -4.886 -3.398 2.845
327 HE2 LYS 44 1HE LYS 44 -5.268 -3.131 5.334
328 HE3 LYS 44 2HE LYS 44 -3.768 -2.206 5.411
329 HZ1 LYS 44 3HZ LYS 44 -6.118 -1.510 3.765
330 HZ2 LYS 44 1HZ LYS 44 -4.701 -0.602 3.918
331 HZ3 LYS 44 2HZ LYS 44 -5.723 -0.805 5.253
332 H GLU 45 H GLU 45 -4.179 -4.802 6.277
333 HA GLU 45 HA GLU 45 -4.031 -5.820 8.908
334 HB2 GLU 45 1HB GLU 45 -6.163 -6.594 6.879
335 HB3 GLU 45 2HB GLU 45 -6.327 -6.446 8.626
336 HG2 GLU 45 1HG GLU 45 -6.151 -4.239 6.555
337 HG3 GLU 45 2HG GLU 45 -7.479 -4.597 7.652
338 H ASP 46 H ASP 46 -3.085 -7.153 5.927
339 HA ASP 46 HA ASP 46 -3.095 -9.902 6.268
340 HB2 ASP 46 1HB ASP 46 -2.362 -8.781 4.217
341 HB3 ASP 46 2HB ASP 46 -0.993 -8.056 5.048
342 H GLY 47 H GLY 47 -1.215 -7.485 7.980
343 HA2 GLY 47 1HA GLY 47 -0.384 -7.849 10.186
344 HA3 GLY 47 2HA GLY 47 -0.106 -9.540 9.800
345 H LEU 48 H LEU 48 1.035 -8.613 7.143
346 HA LEU 48 HA LEU 48 3.793 -8.245 8.047
347 HB2 LEU 48 1HB LEU 48 2.558 -9.008 5.373
348 HB3 LEU 48 2HB LEU 48 4.271 -8.644 5.535
349 HG LEU 48 HG LEU 48 4.036 -11.038 5.539
350 HD11 LEU 48 1HD1 LEU 48 5.080 -11.673 7.649
351 HD12 LEU 48 2HD1 LEU 48 4.575 -10.150 8.384
352 HD13 LEU 48 3HD1 LEU 48 5.736 -10.145 7.054
353 HD21 LEU 48 3HD2 LEU 48 2.033 -10.785 7.811
354 HD22 LEU 48 1HD2 LEU 48 2.664 -12.298 7.146
355 HD23 LEU 48 2HD2 LEU 48 1.673 -11.240 6.143
356 H ARG 49 H ARG 49 5.165 -6.877 6.537
357 HA ARG 49 HA ARG 49 3.844 -4.356 5.725
358 HB2 ARG 49 1HB ARG 49 6.660 -4.644 6.880
359 HB3 ARG 49 2HB ARG 49 5.881 -3.135 6.391
360 HG2 ARG 49 1HG ARG 49 4.197 -3.450 8.203
361 HG3 ARG 49 2HG ARG 49 5.028 -4.930 8.698
362 HD2 ARG 49 1HD ARG 49 6.138 -2.098 8.776
363 HD3 ARG 49 2HD ARG 49 5.676 -3.097 10.161
364 HE ARG 49 HE ARG 49 7.986 -3.599 8.367
365 HH11 ARG 49 1HH1 ARG 49 6.467 -4.050 11.507
366 HH12 ARG 49 2HH1 ARG 49 7.898 -4.709 12.229
367 HH21 ARG 49 1HH2 ARG 49 9.816 -4.512 9.313
368 HH22 ARG 49 2HH2 ARG 49 9.790 -4.979 10.983
369 H GLY 50 H GLY 50 4.904 -3.288 3.945
370 HA2 GLY 50 1HA GLY 50 6.927 -4.661 2.382
371 HA3 GLY 50 2HA GLY 50 5.320 -4.613 1.649
372 H TRP 51 H TRP 51 7.722 -3.379 0.666
373 HA TRP 51 HA TRP 51 7.011 -0.506 0.783
374 HB2 TRP 51 1HB TRP 51 9.352 -0.051 0.048
375 HB3 TRP 51 2HB TRP 51 9.284 -0.866 1.600
376 HD1 TRP 51 HD1 TRP 51 9.563 -3.803 1.202
377 HE1 TRP 51 HE1 TRP 51 11.468 -4.921 -0.104
378 HE3 TRP 51 HE3 TRP 51 11.025 0.161 -1.665
379 HZ2 TRP 51 HZ2 TRP 51 13.360 -4.232 -2.074
380 HZ3 TRP 51 HZ3 TRP 51 12.904 -0.142 -3.236
381 HH2 TRP 51 HH2 TRP 51 14.045 -2.299 -3.438
382 H PHE 52 H PHE 52 6.281 0.390 -1.012
383 HA PHE 52 HA PHE 52 6.434 -0.991 -3.610
384 HB2 PHE 52 1HB PHE 52 3.818 -0.102 -2.262
385 HB3 PHE 52 2HB PHE 52 3.938 -0.619 -3.938
386 HD1 PHE 52 HD2 PHE 52 3.988 -1.753 -0.421
387 HD2 PHE 52 HD1 PHE 52 4.186 -2.993 -4.511
388 HE1 PHE 52 HE2 PHE 52 3.622 -4.082 0.264
389 HE2 PHE 52 HE1 PHE 52 3.813 -5.327 -3.814
390 HZ PHE 52 HZ PHE 52 3.533 -5.873 -1.426
391 HA PRO 53 HA PRO 53 7.017 3.212 -5.045
392 HB2 PRO 53 1HB PRO 53 6.238 3.019 -7.678
393 HB3 PRO 53 2HB PRO 53 7.754 2.334 -7.074
394 HG2 PRO 53 1HG PRO 53 5.133 0.969 -7.615
395 HG3 PRO 53 2HG PRO 53 6.776 0.411 -7.986
396 HD2 PRO 53 1HD PRO 53 5.349 -0.478 -5.821
397 HD3 PRO 53 2HD PRO 53 7.122 -0.384 -5.824
398 H ALA 54 H ALA 54 5.862 5.074 -5.096
399 HA ALA 54 HA ALA 54 3.114 5.219 -4.473
400 HB1 ALA 54 3HB ALA 54 4.736 6.985 -3.878
401 HB2 ALA 54 1HB ALA 54 3.364 7.659 -4.764
402 HB3 ALA 54 2HB ALA 54 4.914 7.412 -5.579
403 H SER 55 H SER 55 4.804 5.047 -7.484
404 HA SER 55 HA SER 55 2.885 6.001 -9.305
405 HB2 SER 55 1HB SER 55 4.966 3.814 -9.749
406 HB3 SER 55 2HB SER 55 4.199 4.808 -10.992
407 HG SER 55 HG SER 55 6.413 5.320 -9.763
408 H TYR 56 H TYR 56 3.338 2.798 -7.805
409 HA TYR 56 HA TYR 56 1.554 1.394 -9.580
410 HB2 TYR 56 1HB TYR 56 3.557 0.435 -8.208
411 HB3 TYR 56 2HB TYR 56 2.438 0.365 -6.851
412 HD1 TYR 56 HD2 TYR 56 3.096 -0.890 -10.280
413 HD2 TYR 56 HD1 TYR 56 0.759 -1.426 -6.742
414 HE1 TYR 56 HE2 TYR 56 2.254 -3.024 -11.165
415 HE2 TYR 56 HE1 TYR 56 -0.094 -3.560 -7.630
416 HH TYR 56 HH TYR 56 1.286 -5.109 -10.352
417 H VAL 57 H VAL 57 1.296 2.915 -6.460
418 HA VAL 57 HA VAL 57 -1.579 2.252 -6.185
419 HB VAL 57 HB VAL 57 -1.321 3.046 -3.819
420 HG11 VAL 57 1HG1 VAL 57 0.663 0.858 -4.590
421 HG12 VAL 57 2HG1 VAL 57 -1.065 0.643 -4.288
422 HG13 VAL 57 3HG1 VAL 57 0.005 1.125 -2.970
423 HG21 VAL 57 3HG2 VAL 57 0.521 4.659 -4.111
424 HG22 VAL 57 1HG2 VAL 57 1.644 3.351 -4.498
425 HG23 VAL 57 2HG2 VAL 57 0.950 3.475 -2.877
426 H GLN 58 H GLN 58 -2.475 4.431 -4.733
427 HA GLN 58 HA GLN 58 -1.706 6.879 -6.176
428 HB2 GLN 58 1HB GLN 58 -3.606 5.906 -7.421
429 HB3 GLN 58 2HB GLN 58 -4.569 5.846 -5.948
430 HG2 GLN 58 1HG GLN 58 -4.650 8.267 -5.829
431 HG3 GLN 58 2HG GLN 58 -3.507 8.415 -7.167
432 HE21 GLN 58 2HE2 GLN 58 -4.964 9.648 -8.380
433 HE22 GLN 58 1HE2 GLN 58 -6.367 8.974 -9.126
434 H LEU 59 H LEU 59 -1.617 8.612 -4.876
435 HA LEU 59 HA LEU 59 -1.911 8.325 -2.048
436 HB2 LEU 59 1HB LEU 59 -1.248 10.742 -3.778
437 HB3 LEU 59 2HB LEU 59 -1.224 10.767 -2.017
438 HG LEU 59 HG LEU 59 0.561 9.030 -3.776
439 HD11 LEU 59 1HD1 LEU 59 2.404 10.480 -3.037
440 HD12 LEU 59 2HD1 LEU 59 1.262 11.508 -2.163
441 HD13 LEU 59 3HD1 LEU 59 1.181 11.392 -3.924
442 HD21 LEU 59 3HD2 LEU 59 0.046 7.919 -1.645
443 HD22 LEU 59 1HD2 LEU 59 0.559 9.352 -0.747
444 HD23 LEU 59 2HD2 LEU 59 1.729 8.429 -1.694
445 H LEU 60 H LEU 60 -3.350 9.223 -0.675
446 HA LEU 60 HA LEU 60 -5.964 10.007 -1.733
447 HB2 LEU 60 1HB LEU 60 -5.025 9.256 1.068
448 HB3 LEU 60 2HB LEU 60 -6.688 9.671 0.660
449 HG LEU 60 HG LEU 60 -5.142 7.292 -0.457
450 HD11 LEU 60 1HD1 LEU 60 -6.621 5.883 0.875
451 HD12 LEU 60 2HD1 LEU 60 -7.392 7.309 1.574
452 HD13 LEU 60 3HD1 LEU 60 -5.694 6.970 1.906
453 HD21 LEU 60 3HD2 LEU 60 -7.333 6.604 -1.412
454 HD22 LEU 60 1HD2 LEU 60 -6.729 8.111 -2.097
455 HD23 LEU 60 2HD2 LEU 60 -8.024 8.143 -0.898
Start of MODEL 14
1 H1 MET 1 1H MET 1 -2.965 6.216 16.008
2 H2 MET 1 2H MET 1 -1.817 6.453 14.787
3 H3 MET 1 3H MET 1 -2.978 5.233 14.638
4 HA MET 1 HA MET 1 -4.734 6.812 14.481
5 HB2 MET 1 1HB MET 1 -3.738 8.525 15.984
6 HB3 MET 1 2HB MET 1 -2.522 8.900 14.771
7 HG2 MET 1 1HG MET 1 -4.251 9.783 13.285
8 HG3 MET 1 2HG MET 1 -5.504 9.339 14.448
9 HE1 MET 1 3HE MET 1 -5.122 12.312 13.180
10 HE2 MET 1 1HE MET 1 -5.407 13.295 14.610
11 HE3 MET 1 2HE MET 1 -6.423 11.885 14.296
12 H SER 2 H SER 2 -5.376 7.621 12.423
13 HA SER 2 HA SER 2 -3.925 6.781 10.140
14 HB2 SER 2 1HB SER 2 -6.262 8.739 10.301
15 HB3 SER 2 2HB SER 2 -5.720 7.873 8.858
16 HG SER 2 HG SER 2 -7.523 7.042 10.441
17 H GLY 3 H GLY 3 -2.582 7.876 8.776
18 HA2 GLY 3 1HA GLY 3 -2.211 10.800 9.016
19 HA3 GLY 3 2HA GLY 3 -0.812 9.742 9.224
20 H ALA 4 H ALA 4 0.368 9.555 7.435
21 HA ALA 4 HA ALA 4 -0.566 10.168 4.799
22 HB1 ALA 4 3HB ALA 4 1.690 9.435 4.089
23 HB2 ALA 4 1HB ALA 4 1.996 8.790 5.707
24 HB3 ALA 4 2HB ALA 4 1.781 10.525 5.472
25 H ARG 5 H ARG 5 -1.228 8.774 3.181
26 HA ARG 5 HA ARG 5 -0.959 5.923 3.323
27 HB2 ARG 5 1HB ARG 5 -3.415 5.399 3.371
28 HB3 ARG 5 2HB ARG 5 -2.812 6.064 4.887
29 HG2 ARG 5 1HG ARG 5 -3.802 8.226 4.406
30 HG3 ARG 5 2HG ARG 5 -4.279 7.694 2.790
31 HD2 ARG 5 1HD ARG 5 -6.174 7.685 4.398
32 HD3 ARG 5 2HD ARG 5 -5.846 6.086 3.722
33 HE ARG 5 HE ARG 5 -4.454 6.370 6.162
34 HH11 ARG 5 1HH1 ARG 5 -7.757 6.036 5.024
35 HH12 ARG 5 2HH1 ARG 5 -8.278 5.232 6.467
36 HH21 ARG 5 1HH2 ARG 5 -5.157 5.290 8.027
37 HH22 ARG 5 2HH2 ARG 5 -6.817 4.817 8.160
38 H CYS 6 H CYS 6 -2.358 4.867 1.575
39 HA CYS 6 HA CYS 6 -2.722 6.526 -0.821
40 HB2 CYS 6 1HB CYS 6 -1.352 4.872 -2.149
41 HB3 CYS 6 2HB CYS 6 -0.401 5.782 -0.979
42 HG CYS 6 HG CYS 6 -0.260 3.722 0.879
43 H ARG 7 H ARG 7 -3.523 4.979 -2.647
44 HA ARG 7 HA ARG 7 -5.794 3.411 -1.575
45 HB2 ARG 7 1HB ARG 7 -6.450 5.647 -2.466
46 HB3 ARG 7 2HB ARG 7 -5.692 5.270 -4.000
47 HG2 ARG 7 1HG ARG 7 -8.134 5.080 -4.122
48 HG3 ARG 7 2HG ARG 7 -7.354 3.529 -4.445
49 HD2 ARG 7 1HD ARG 7 -8.013 2.638 -2.341
50 HD3 ARG 7 2HD ARG 7 -8.378 4.230 -1.682
51 HE ARG 7 HE ARG 7 -10.417 4.255 -2.781
52 HH11 ARG 7 1HH1 ARG 7 -8.701 1.310 -3.695
53 HH12 ARG 7 2HH1 ARG 7 -10.145 0.508 -4.226
54 HH21 ARG 7 1HH2 ARG 7 -12.283 3.169 -3.489
55 HH22 ARG 7 2HH2 ARG 7 -12.155 1.558 -4.128
56 H THR 8 H THR 8 -5.843 1.368 -2.279
57 HA THR 8 HA THR 8 -4.179 0.377 -4.425
58 HB THR 8 HB THR 8 -5.347 -1.809 -3.898
59 HG1 THR 8 HG1 THR 8 -6.707 -1.728 -1.974
60 HG21 THR 8 3HG2 THR 8 -4.243 -0.346 -1.463
61 HG22 THR 8 1HG2 THR 8 -3.277 -1.204 -2.670
62 HG23 THR 8 2HG2 THR 8 -4.396 -2.096 -1.638
63 H LEU 9 H LEU 9 -4.752 0.671 -6.489
64 HA LEU 9 HA LEU 9 -7.323 1.596 -7.315
65 HB2 LEU 9 1HB LEU 9 -4.916 0.665 -8.936
66 HB3 LEU 9 2HB LEU 9 -6.328 1.464 -9.619
67 HG LEU 9 HG LEU 9 -4.409 2.714 -7.603
68 HD11 LEU 9 1HD1 LEU 9 -3.647 4.133 -9.463
69 HD12 LEU 9 2HD1 LEU 9 -4.661 3.224 -10.587
70 HD13 LEU 9 3HD1 LEU 9 -3.320 2.428 -9.759
71 HD21 LEU 9 3HD2 LEU 9 -6.666 3.600 -7.325
72 HD22 LEU 9 1HD2 LEU 9 -6.781 3.951 -9.052
73 HD23 LEU 9 2HD2 LEU 9 -5.624 4.823 -8.042
74 H TYR 10 H TYR 10 -5.513 -1.431 -8.099
75 HA TYR 10 HA TYR 10 -8.060 -2.893 -8.493
76 HB2 TYR 10 1HB TYR 10 -5.736 -2.956 -10.496
77 HB3 TYR 10 2HB TYR 10 -7.237 -3.861 -10.628
78 HD1 TYR 10 HD1 TYR 10 -9.463 -2.426 -10.733
79 HD2 TYR 10 HD2 TYR 10 -5.576 -0.850 -11.592
80 HE1 TYR 10 HE1 TYR 10 -10.485 -0.553 -11.962
81 HE2 TYR 10 HE2 TYR 10 -6.609 1.015 -12.819
82 HH TYR 10 HH TYR 10 -8.736 1.461 -14.028
83 HA PRO 11 HA PRO 11 -5.827 -6.171 -6.314
84 HB2 PRO 11 1HB PRO 11 -6.869 -8.470 -7.436
85 HB3 PRO 11 2HB PRO 11 -7.741 -7.470 -6.258
86 HG2 PRO 11 1HG PRO 11 -7.940 -7.473 -9.269
87 HG3 PRO 11 2HG PRO 11 -9.250 -7.447 -8.066
88 HD2 PRO 11 1HD PRO 11 -8.455 -5.188 -9.315
89 HD3 PRO 11 2HD PRO 11 -8.960 -5.160 -7.611
90 H PHE 12 H PHE 12 -3.789 -6.666 -6.570
91 HA PHE 12 HA PHE 12 -2.591 -7.270 -9.162
92 HB2 PHE 12 1HB PHE 12 -1.444 -5.604 -7.707
93 HB3 PHE 12 2HB PHE 12 -1.285 -6.804 -6.429
94 HD1 PHE 12 HD2 PHE 12 -0.273 -6.092 -9.974
95 HD2 PHE 12 HD1 PHE 12 0.641 -8.236 -6.382
96 HE1 PHE 12 HE2 PHE 12 1.864 -6.823 -10.950
97 HE2 PHE 12 HE1 PHE 12 2.777 -8.959 -7.368
98 HZ PHE 12 HZ PHE 12 3.392 -8.251 -9.646
99 H SER 13 H SER 13 -2.392 -9.319 -9.759
100 HA SER 13 HA SER 13 -1.940 -11.462 -7.760
101 HB2 SER 13 1HB SER 13 -4.278 -11.510 -8.772
102 HB3 SER 13 2HB SER 13 -3.546 -11.739 -10.360
103 HG SER 13 HG SER 13 -3.908 -13.762 -9.727
104 H GLY 14 H GLY 14 -1.389 -13.467 -9.719
105 HA2 GLY 14 1HA GLY 14 0.240 -12.992 -11.833
106 HA3 GLY 14 2HA GLY 14 1.325 -12.763 -10.469
107 H GLU 15 H GLU 15 0.071 -14.724 -8.776
108 HA GLU 15 HA GLU 15 0.131 -16.902 -8.182
109 HB2 GLU 15 1HB GLU 15 -0.172 -17.418 -11.174
110 HB3 GLU 15 2HB GLU 15 -0.298 -18.663 -9.934
111 HG2 GLU 15 1HG GLU 15 -2.271 -17.579 -8.984
112 HG3 GLU 15 2HG GLU 15 -2.115 -16.239 -10.124
113 H ARG 16 H ARG 16 2.633 -15.439 -9.590
114 HA ARG 16 HA ARG 16 4.452 -17.640 -10.119
115 HB2 ARG 16 1HB ARG 16 5.010 -14.643 -9.881
116 HB3 ARG 16 2HB ARG 16 6.107 -15.863 -10.535
117 HG2 ARG 16 1HG ARG 16 4.571 -16.252 -12.420
118 HG3 ARG 16 2HG ARG 16 3.435 -15.077 -11.745
119 HD2 ARG 16 1HD ARG 16 5.193 -13.310 -11.977
120 HD3 ARG 16 2HD ARG 16 6.251 -14.502 -12.745
121 HE ARG 16 HE ARG 16 3.697 -14.284 -14.060
122 HH11 ARG 16 1HH1 ARG 16 6.890 -12.813 -13.881
123 HH12 ARG 16 2HH1 ARG 16 6.765 -12.069 -15.440
124 HH21 ARG 16 1HH2 ARG 16 3.535 -13.279 -16.079
125 HH22 ARG 16 2HH2 ARG 16 4.854 -12.332 -16.689
126 H HIS 17 H HIS 17 3.896 -15.155 -7.689
127 HA HIS 17 HA HIS 17 5.995 -16.033 -5.889
128 HB2 HIS 17 1HB HIS 17 3.777 -13.994 -5.341
129 HB3 HIS 17 2HB HIS 17 5.340 -14.129 -4.534
130 HD2 HIS 17 HD2 HIS 17 7.457 -12.850 -5.815
131 HE1 HIS 17 HE1 HIS 17 5.171 -11.460 -9.093
132 HE2 HIS 17 HE2 HIS 17 7.481 -11.552 -8.054
133 H GLY 18 H GLY 18 5.660 -17.768 -4.608
134 HA2 GLY 18 1HA GLY 18 3.142 -18.900 -3.885
135 HA3 GLY 18 2HA GLY 18 4.691 -19.225 -3.110
136 H GLN 19 H GLN 19 5.524 -17.022 -2.041
137 HA GLN 19 HA GLN 19 3.378 -15.787 -0.418
138 HB2 GLN 19 1HB GLN 19 6.204 -16.549 0.469
139 HB3 GLN 19 2HB GLN 19 5.124 -15.528 1.408
140 HG2 GLN 19 1HG GLN 19 4.598 -18.432 0.672
141 HG3 GLN 19 2HG GLN 19 5.180 -17.855 2.238
142 HE21 GLN 19 2HE2 GLN 19 2.414 -18.194 0.152
143 HE22 GLN 19 1HE2 GLN 19 1.224 -17.666 1.285
144 H GLY 20 H GLY 20 3.525 -13.585 -0.096
145 HA2 GLY 20 1HA GLY 20 5.513 -11.754 -0.432
146 HA3 GLY 20 2HA GLY 20 4.946 -12.038 -2.081
147 H LEU 21 H LEU 21 4.676 -9.498 -0.810
148 HA LEU 21 HA LEU 21 1.921 -9.351 0.184
149 HB2 LEU 21 1HB LEU 21 3.833 -7.968 1.211
150 HB3 LEU 21 2HB LEU 21 3.830 -7.018 -0.267
151 HG LEU 21 HG LEU 21 1.305 -6.592 0.217
152 HD11 LEU 21 1HD1 LEU 21 0.965 -8.325 1.889
153 HD12 LEU 21 2HD1 LEU 21 0.592 -6.740 2.551
154 HD13 LEU 21 3HD1 LEU 21 2.104 -7.536 2.987
155 HD21 LEU 21 3HD2 LEU 21 1.759 -4.674 1.677
156 HD22 LEU 21 1HD2 LEU 21 2.969 -4.813 0.402
157 HD23 LEU 21 2HD2 LEU 21 3.360 -5.314 2.048
158 H ARG 22 H ARG 22 0.257 -8.700 -1.020
159 HA ARG 22 HA ARG 22 0.658 -7.480 -3.689
160 HB2 ARG 22 1HB ARG 22 -1.528 -9.474 -2.880
161 HB3 ARG 22 2HB ARG 22 -1.366 -8.706 -4.463
162 HG2 ARG 22 1HG ARG 22 0.825 -9.880 -4.763
163 HG3 ARG 22 2HG ARG 22 0.578 -10.692 -3.213
164 HD2 ARG 22 1HD ARG 22 -1.157 -10.964 -5.700
165 HD3 ARG 22 2HD ARG 22 -0.039 -12.171 -5.062
166 HE ARG 22 HE ARG 22 -1.513 -12.271 -3.049
167 HH11 ARG 22 1HH1 ARG 22 -2.926 -11.106 -6.041
168 HH12 ARG 22 2HH1 ARG 22 -4.518 -11.642 -5.636
169 HH21 ARG 22 1HH2 ARG 22 -3.575 -12.991 -2.546
170 HH22 ARG 22 2HH2 ARG 22 -4.886 -12.708 -3.645
171 H PHE 23 H PHE 23 -1.398 -6.315 -4.387
172 HA PHE 23 HA PHE 23 -2.781 -5.007 -2.106
173 HB2 PHE 23 1HB PHE 23 -1.813 -3.741 -4.718
174 HB3 PHE 23 2HB PHE 23 -2.858 -2.939 -3.556
175 HD1 PHE 23 HD2 PHE 23 -1.774 -3.309 -0.967
176 HD2 PHE 23 HD1 PHE 23 0.366 -2.843 -4.646
177 HE1 PHE 23 HE2 PHE 23 0.174 -2.445 0.267
178 HE2 PHE 23 HE1 PHE 23 2.301 -1.979 -3.393
179 HZ PHE 23 HZ PHE 23 2.207 -1.778 -0.943
180 H ALA 24 H ALA 24 -4.849 -5.716 -2.144
181 HA ALA 24 HA ALA 24 -6.232 -6.132 -4.713
182 HB1 ALA 24 3HB ALA 24 -7.155 -6.789 -1.888
183 HB2 ALA 24 1HB ALA 24 -6.466 -7.935 -3.040
184 HB3 ALA 24 2HB ALA 24 -8.022 -7.176 -3.377
185 H ALA 25 H ALA 25 -8.485 -5.212 -4.778
186 HA ALA 25 HA ALA 25 -8.151 -2.366 -4.672
187 HB1 ALA 25 3HB ALA 25 -9.232 -3.472 -6.600
188 HB2 ALA 25 1HB ALA 25 -10.305 -2.282 -5.861
189 HB3 ALA 25 2HB ALA 25 -10.557 -4.004 -5.561
190 H GLY 26 H GLY 26 -8.812 -1.005 -3.126
191 HA2 GLY 26 1HA GLY 26 -10.718 -0.151 -1.846
192 HA3 GLY 26 2HA GLY 26 -11.000 -1.780 -1.254
193 H GLU 27 H GLU 27 -8.064 -2.249 -0.810
194 HA GLU 27 HA GLU 27 -7.930 -1.423 1.874
195 HB2 GLU 27 1HB GLU 27 -5.699 -2.427 0.064
196 HB3 GLU 27 2HB GLU 27 -5.491 -2.125 1.779
197 HG2 GLU 27 1HG GLU 27 -6.026 -4.296 2.089
198 HG3 GLU 27 2HG GLU 27 -7.682 -3.805 1.789
199 H LEU 28 H LEU 28 -7.227 0.319 2.859
200 HA LEU 28 HA LEU 28 -5.918 2.519 1.386
201 HB2 LEU 28 1HB LEU 28 -7.177 2.491 4.168
202 HB3 LEU 28 2HB LEU 28 -6.606 3.916 3.301
203 HG LEU 28 HG LEU 28 -8.942 2.157 2.428
204 HD11 LEU 28 1HD1 LEU 28 -9.018 4.882 3.752
205 HD12 LEU 28 2HD1 LEU 28 -9.502 3.344 4.472
206 HD13 LEU 28 3HD1 LEU 28 -10.404 3.994 3.109
207 HD21 LEU 28 3HD2 LEU 28 -9.427 3.907 0.772
208 HD22 LEU 28 1HD2 LEU 28 -7.826 3.216 0.516
209 HD23 LEU 28 2HD2 LEU 28 -7.990 4.805 1.271
210 H ILE 29 H ILE 29 -3.725 2.231 1.442
211 HA ILE 29 HA ILE 29 -2.496 0.573 3.517
212 HB ILE 29 HB ILE 29 -1.103 1.803 1.088
213 HG12 ILE 29 1HG1 ILE 29 -3.014 0.538 0.216
214 HG13 ILE 29 2HG1 ILE 29 -1.532 -0.350 -0.118
215 HG21 ILE 29 1HG2 ILE 29 0.481 -0.082 1.352
216 HG22 ILE 29 2HG2 ILE 29 -0.409 -0.639 2.771
217 HG23 ILE 29 3HG2 ILE 29 0.417 0.923 2.801
218 HD11 ILE 29 3HD1 ILE 29 -3.305 -1.835 0.561
219 HD12 ILE 29 1HD1 ILE 29 -3.519 -0.948 2.070
220 HD13 ILE 29 2HD1 ILE 29 -2.024 -1.838 1.769
221 H THR 30 H THR 30 -1.879 1.615 5.328
222 HA THR 30 HA THR 30 -1.461 4.451 5.442
223 HB THR 30 HB THR 30 -1.015 2.347 7.606
224 HG1 THR 30 HG1 THR 30 -3.148 2.321 7.075
225 HG21 THR 30 3HG2 THR 30 0.160 4.457 8.143
226 HG22 THR 30 1HG2 THR 30 -1.248 4.252 9.192
227 HG23 THR 30 2HG2 THR 30 -1.313 5.380 7.835
228 H LEU 31 H LEU 31 0.332 5.301 4.614
229 HA LEU 31 HA LEU 31 2.885 4.030 4.501
230 HB2 LEU 31 1HB LEU 31 2.250 6.994 4.204
231 HB3 LEU 31 2HB LEU 31 3.729 6.183 3.695
232 HG LEU 31 HG LEU 31 0.954 5.796 2.485
233 HD11 LEU 31 1HD1 LEU 31 3.427 7.140 1.337
234 HD12 LEU 31 2HD1 LEU 31 1.958 7.945 1.905
235 HD13 LEU 31 3HD1 LEU 31 1.890 6.885 0.501
236 HD21 LEU 31 3HD2 LEU 31 3.578 4.459 1.701
237 HD22 LEU 31 1HD2 LEU 31 2.070 4.367 0.789
238 HD23 LEU 31 2HD2 LEU 31 2.162 3.673 2.404
239 H LEU 32 H LEU 32 3.817 3.521 6.379
240 HA LEU 32 HA LEU 32 3.556 4.964 8.841
241 HB2 LEU 32 1HB LEU 32 5.545 2.786 8.076
242 HB3 LEU 32 2HB LEU 32 5.150 3.298 9.717
243 HG LEU 32 HG LEU 32 3.301 1.833 7.770
244 HD11 LEU 32 1HD1 LEU 32 5.000 0.384 8.751
245 HD12 LEU 32 2HD1 LEU 32 3.409 -0.008 9.390
246 HD13 LEU 32 3HD1 LEU 32 4.554 0.901 10.381
247 HD21 LEU 32 3HD2 LEU 32 2.673 2.826 10.586
248 HD22 LEU 32 1HD2 LEU 32 1.646 1.757 9.621
249 HD23 LEU 32 2HD2 LEU 32 1.957 3.402 9.078
250 H GLN 33 H GLN 33 5.849 4.830 6.224
251 HA GLN 33 HA GLN 33 7.497 6.965 7.435
252 HB2 GLN 33 1HB GLN 33 8.733 4.830 7.469
253 HB3 GLN 33 2HB GLN 33 8.426 4.592 5.753
254 HG2 GLN 33 1HG GLN 33 9.778 6.646 5.275
255 HG3 GLN 33 2HG GLN 33 10.135 6.763 7.001
256 HE21 GLN 33 2HE2 GLN 33 10.654 4.904 4.072
257 HE22 GLN 33 1HE2 GLN 33 12.017 4.010 4.643
258 H VAL 34 H VAL 34 7.803 8.668 6.168
259 HA VAL 34 HA VAL 34 7.321 8.544 3.267
260 HB VAL 34 HB VAL 34 6.439 10.981 3.452
261 HG11 VAL 34 1HG1 VAL 34 4.100 10.243 3.797
262 HG12 VAL 34 2HG1 VAL 34 4.674 8.727 4.499
263 HG13 VAL 34 3HG1 VAL 34 5.002 9.093 2.804
264 HG21 VAL 34 3HG2 VAL 34 5.936 10.165 6.358
265 HG22 VAL 34 1HG2 VAL 34 5.306 11.621 5.575
266 HG23 VAL 34 2HG2 VAL 34 7.043 11.430 5.817
267 HA PRO 35 HA PRO 35 11.537 10.314 3.923
268 HB2 PRO 35 1HB PRO 35 12.811 8.900 2.018
269 HB3 PRO 35 2HB PRO 35 12.345 8.117 3.539
270 HG2 PRO 35 1HG PRO 35 10.957 8.045 0.855
271 HG3 PRO 35 2HG PRO 35 11.322 6.698 1.956
272 HD2 PRO 35 1HD PRO 35 8.864 7.951 1.855
273 HD3 PRO 35 2HD PRO 35 9.485 7.139 3.308
274 H ASP 36 H ASP 36 13.023 10.703 1.522
275 HA ASP 36 HA ASP 36 11.872 13.025 0.394
276 HB2 ASP 36 1HB ASP 36 14.199 11.310 -0.586
277 HB3 ASP 36 2HB ASP 36 13.766 12.858 -1.301
278 H GLY 37 H GLY 37 11.801 9.645 -0.613
279 HA2 GLY 37 1HA GLY 37 9.467 9.477 -1.839
280 HA3 GLY 37 2HA GLY 37 10.399 10.246 -3.119
281 H GLY 38 H GLY 38 9.789 8.273 -4.283
282 HA2 GLY 38 1HA GLY 38 10.649 6.484 -5.452
283 HA3 GLY 38 2HA GLY 38 11.975 6.365 -4.311
284 H TRP 39 H TRP 39 11.400 5.465 -2.137
285 HA TRP 39 HA TRP 39 9.403 3.279 -2.380
286 HB2 TRP 39 1HB TRP 39 11.954 3.293 -0.676
287 HB3 TRP 39 2HB TRP 39 10.849 1.941 -0.900
288 HD1 TRP 39 HD1 TRP 39 13.951 3.475 -2.354
289 HE1 TRP 39 HE1 TRP 39 14.662 2.192 -4.462
290 HE3 TRP 39 HE3 TRP 39 9.739 0.635 -3.061
291 HZ2 TRP 39 HZ2 TRP 39 13.602 0.249 -6.199
292 HZ3 TRP 39 HZ3 TRP 39 9.676 -0.913 -4.978
293 HH2 TRP 39 HH2 TRP 39 11.571 -1.102 -6.517
294 H TRP 40 H TRP 40 7.815 3.254 -0.849
295 HA TRP 40 HA TRP 40 8.149 4.804 1.659
296 HB2 TRP 40 1HB TRP 40 5.612 4.261 0.032
297 HB3 TRP 40 2HB TRP 40 5.587 4.908 1.670
298 HD1 TRP 40 HD1 TRP 40 6.284 7.472 1.992
299 HE1 TRP 40 HE1 TRP 40 6.558 9.419 0.341
300 HE3 TRP 40 HE3 TRP 40 6.397 4.827 -2.391
301 HZ2 TRP 40 HZ2 TRP 40 6.791 9.804 -2.438
302 HZ3 TRP 40 HZ3 TRP 40 6.647 6.061 -4.503
303 HH2 TRP 40 HH2 TRP 40 6.842 8.501 -4.529
304 H GLU 41 H GLU 41 7.318 3.860 3.553
305 HA GLU 41 HA GLU 41 7.155 0.928 3.603
306 HB2 GLU 41 1HB GLU 41 8.589 2.111 5.274
307 HB3 GLU 41 2HB GLU 41 7.191 2.994 5.864
308 HG2 GLU 41 1HG GLU 41 7.762 1.179 7.386
309 HG3 GLU 41 2HG GLU 41 6.178 0.904 6.656
310 H GLY 42 H GLY 42 5.166 -0.031 3.560
311 HA2 GLY 42 1HA GLY 42 2.756 1.596 4.226
312 HA3 GLY 42 2HA GLY 42 2.846 0.520 2.845
313 H GLU 43 H GLU 43 1.289 0.717 5.490
314 HA GLU 43 HA GLU 43 1.652 -2.031 6.513
315 HB2 GLU 43 1HB GLU 43 1.794 -0.219 8.196
316 HB3 GLU 43 2HB GLU 43 0.212 0.380 7.728
317 HG2 GLU 43 1HG GLU 43 0.020 -0.828 9.803
318 HG3 GLU 43 2HG GLU 43 -0.809 -1.733 8.541
319 H LYS 44 H LYS 44 0.005 -3.477 6.462
320 HA LYS 44 HA LYS 44 -2.602 -2.696 5.279
321 HB2 LYS 44 1HB LYS 44 -1.151 -5.348 4.808
322 HB3 LYS 44 2HB LYS 44 -2.753 -4.914 4.204
323 HG2 LYS 44 1HG LYS 44 -1.575 -3.008 2.925
324 HG3 LYS 44 2HG LYS 44 -0.058 -3.817 3.335
325 HD2 LYS 44 1HD LYS 44 -0.694 -4.574 1.129
326 HD3 LYS 44 2HD LYS 44 -0.982 -5.918 2.237
327 HE2 LYS 44 1HE LYS 44 -3.434 -4.924 2.337
328 HE3 LYS 44 2HE LYS 44 -2.984 -4.162 0.812
329 HZ1 LYS 44 3HZ LYS 44 -4.040 -6.205 0.349
330 HZ2 LYS 44 1HZ LYS 44 -3.080 -7.054 1.450
331 HZ3 LYS 44 2HZ LYS 44 -2.400 -6.443 0.032
332 H GLU 45 H GLU 45 -4.421 -3.977 5.984
333 HA GLU 45 HA GLU 45 -4.322 -4.894 8.729
334 HB2 GLU 45 1HB GLU 45 -6.596 -4.850 6.700
335 HB3 GLU 45 2HB GLU 45 -6.781 -5.284 8.404
336 HG2 GLU 45 1HG GLU 45 -6.059 -3.027 9.073
337 HG3 GLU 45 2HG GLU 45 -5.823 -2.584 7.380
338 H ASP 46 H ASP 46 -3.533 -6.359 5.871
339 HA ASP 46 HA ASP 46 -4.237 -9.073 6.246
340 HB2 ASP 46 1HB ASP 46 -1.738 -7.856 4.935
341 HB3 ASP 46 2HB ASP 46 -2.233 -9.544 4.785
342 H GLY 47 H GLY 47 -1.903 -6.986 7.792
343 HA2 GLY 47 1HA GLY 47 -0.860 -7.444 9.869
344 HA3 GLY 47 2HA GLY 47 -0.958 -9.165 9.545
345 H LEU 48 H LEU 48 0.013 -8.362 6.701
346 HA LEU 48 HA LEU 48 2.902 -8.450 7.275
347 HB2 LEU 48 1HB LEU 48 1.442 -8.982 4.641
348 HB3 LEU 48 2HB LEU 48 3.162 -9.171 4.919
349 HG LEU 48 HG LEU 48 2.331 -11.366 4.911
350 HD11 LEU 48 1HD1 LEU 48 3.832 -10.979 6.779
351 HD12 LEU 48 2HD1 LEU 48 2.667 -12.253 7.134
352 HD13 LEU 48 3HD1 LEU 48 2.458 -10.646 7.836
353 HD21 LEU 48 3HD2 LEU 48 -0.056 -10.870 4.970
354 HD22 LEU 48 1HD2 LEU 48 0.029 -10.537 6.702
355 HD23 LEU 48 2HD2 LEU 48 0.343 -12.167 6.094
356 H ARG 49 H ARG 49 4.343 -7.052 6.181
357 HA ARG 49 HA ARG 49 3.242 -4.727 4.699
358 HB2 ARG 49 1HB ARG 49 5.556 -4.815 6.688
359 HB3 ARG 49 2HB ARG 49 5.332 -3.482 5.549
360 HG2 ARG 49 1HG ARG 49 3.082 -3.066 6.553
361 HG3 ARG 49 2HG ARG 49 3.410 -4.329 7.747
362 HD2 ARG 49 1HD ARG 49 5.135 -1.856 7.363
363 HD3 ARG 49 2HD ARG 49 3.823 -1.977 8.537
364 HE ARG 49 HE ARG 49 5.238 -4.052 9.288
365 HH11 ARG 49 1HH1 ARG 49 6.535 -0.957 8.289
366 HH12 ARG 49 2HH1 ARG 49 7.818 -0.975 9.457
367 HH21 ARG 49 1HH2 ARG 49 6.891 -4.065 10.814
368 HH22 ARG 49 2HH2 ARG 49 8.027 -2.760 10.876
369 H GLY 50 H GLY 50 5.006 -3.732 3.317
370 HA2 GLY 50 1HA GLY 50 7.092 -5.435 2.266
371 HA3 GLY 50 2HA GLY 50 5.684 -5.308 1.207
372 H TRP 51 H TRP 51 7.921 -4.426 0.119
373 HA TRP 51 HA TRP 51 7.960 -1.467 0.413
374 HB2 TRP 51 1HB TRP 51 10.286 -1.621 -0.634
375 HB3 TRP 51 2HB TRP 51 10.151 -2.300 0.984
376 HD1 TRP 51 HD1 TRP 51 10.104 -5.090 1.118
377 HE1 TRP 51 HE1 TRP 51 11.265 -6.824 -0.381
378 HE3 TRP 51 HE3 TRP 51 11.048 -2.156 -2.973
379 HZ2 TRP 51 HZ2 TRP 51 12.422 -6.951 -2.943
380 HZ3 TRP 51 HZ3 TRP 51 12.182 -3.168 -4.914
381 HH2 TRP 51 HH2 TRP 51 12.857 -5.522 -4.897
382 H PHE 52 H PHE 52 7.243 -0.341 -1.252
383 HA PHE 52 HA PHE 52 7.179 -1.328 -3.994
384 HB2 PHE 52 1HB PHE 52 4.605 -0.813 -2.410
385 HB3 PHE 52 2HB PHE 52 4.652 -0.814 -4.167
386 HD1 PHE 52 HD2 PHE 52 5.118 -2.920 -5.417
387 HD2 PHE 52 HD1 PHE 52 4.619 -2.909 -1.166
388 HE1 PHE 52 HE2 PHE 52 4.790 -5.361 -5.441
389 HE2 PHE 52 HE1 PHE 52 4.298 -5.347 -1.201
390 HZ PHE 52 HZ PHE 52 4.387 -6.570 -3.335
391 HA PRO 53 HA PRO 53 7.328 3.185 -4.588
392 HB2 PRO 53 1HB PRO 53 7.022 2.959 -7.453
393 HB3 PRO 53 2HB PRO 53 8.527 3.103 -6.544
394 HG2 PRO 53 1HG PRO 53 7.705 0.840 -7.989
395 HG3 PRO 53 2HG PRO 53 8.993 0.876 -6.769
396 HD2 PRO 53 1HD PRO 53 6.136 -0.014 -6.492
397 HD3 PRO 53 2HD PRO 53 7.604 -0.676 -5.738
398 H ALA 54 H ALA 54 6.048 4.854 -5.912
399 HA ALA 54 HA ALA 54 3.251 4.761 -5.400
400 HB1 ALA 54 3HB ALA 54 3.161 6.943 -6.559
401 HB2 ALA 54 1HB ALA 54 4.794 6.689 -7.185
402 HB3 ALA 54 2HB ALA 54 4.533 6.880 -5.451
403 H SER 55 H SER 55 5.081 3.487 -7.975
404 HA SER 55 HA SER 55 3.439 3.673 -10.219
405 HB2 SER 55 1HB SER 55 5.817 2.912 -10.216
406 HB3 SER 55 2HB SER 55 5.317 1.396 -9.469
407 HG SER 55 HG SER 55 3.933 2.036 -11.765
408 H TYR 56 H TYR 56 2.918 1.785 -7.363
409 HA TYR 56 HA TYR 56 0.864 0.095 -8.683
410 HB2 TYR 56 1HB TYR 56 2.429 -0.420 -6.111
411 HB3 TYR 56 2HB TYR 56 1.160 -1.464 -6.741
412 HD1 TYR 56 HD1 TYR 56 4.580 -0.162 -7.434
413 HD2 TYR 56 HD2 TYR 56 1.648 -3.092 -8.491
414 HE1 TYR 56 HE1 TYR 56 6.249 -1.350 -8.794
415 HE2 TYR 56 HE2 TYR 56 3.327 -4.283 -9.847
416 HH TYR 56 HH TYR 56 6.671 -3.594 -9.672
417 H VAL 57 H VAL 57 1.253 2.747 -6.533
418 HA VAL 57 HA VAL 57 -1.452 2.378 -5.391
419 HB VAL 57 HB VAL 57 -0.629 3.257 -3.161
420 HG11 VAL 57 1HG1 VAL 57 0.268 1.093 -2.338
421 HG12 VAL 57 2HG1 VAL 57 0.543 0.572 -4.002
422 HG13 VAL 57 3HG1 VAL 57 -1.102 0.856 -3.428
423 HG21 VAL 57 3HG2 VAL 57 1.802 3.085 -2.602
424 HG22 VAL 57 1HG2 VAL 57 1.503 4.287 -3.862
425 HG23 VAL 57 2HG2 VAL 57 2.158 2.706 -4.291
426 H GLN 58 H GLN 58 -2.670 4.200 -5.306
427 HA GLN 58 HA GLN 58 -1.621 6.712 -6.401
428 HB2 GLN 58 1HB GLN 58 -3.751 5.775 -7.283
429 HB3 GLN 58 2HB GLN 58 -4.461 5.859 -5.673
430 HG2 GLN 58 1HG GLN 58 -4.080 8.392 -5.779
431 HG3 GLN 58 2HG GLN 58 -3.671 8.167 -7.481
432 HE21 GLN 58 2HE2 GLN 58 -6.210 6.422 -5.712
433 HE22 GLN 58 1HE2 GLN 58 -7.529 7.097 -6.591
434 H LEU 59 H LEU 59 -0.779 8.145 -4.922
435 HA LEU 59 HA LEU 59 -1.169 8.015 -2.125
436 HB2 LEU 59 1HB LEU 59 -0.139 10.351 -3.790
437 HB3 LEU 59 2HB LEU 59 0.060 10.172 -2.050
438 HG LEU 59 HG LEU 59 1.323 8.403 -4.196
439 HD11 LEU 59 1HD1 LEU 59 2.367 10.609 -4.059
440 HD12 LEU 59 2HD1 LEU 59 3.460 9.366 -3.458
441 HD13 LEU 59 3HD1 LEU 59 2.611 10.416 -2.320
442 HD21 LEU 59 3HD2 LEU 59 1.607 8.204 -1.173
443 HD22 LEU 59 1HD2 LEU 59 2.534 7.281 -2.360
444 HD23 LEU 59 2HD2 LEU 59 0.795 7.047 -2.230
445 H LEU 60 H LEU 60 -2.782 8.776 -0.877
446 HA LEU 60 HA LEU 60 -5.058 10.116 -2.041
447 HB2 LEU 60 1HB LEU 60 -4.494 9.014 0.734
448 HB3 LEU 60 2HB LEU 60 -5.991 9.853 0.346
449 HG LEU 60 HG LEU 60 -5.043 7.303 -1.044
450 HD11 LEU 60 1HD1 LEU 60 -5.574 6.819 1.289
451 HD12 LEU 60 2HD1 LEU 60 -6.794 6.129 0.222
452 HD13 LEU 60 3HD1 LEU 60 -7.148 7.604 1.128
453 HD21 LEU 60 3HD2 LEU 60 -7.320 7.238 -1.998
454 HD22 LEU 60 1HD2 LEU 60 -6.463 8.701 -2.479
455 HD23 LEU 60 2HD2 LEU 60 -7.702 8.779 -1.223
Start of MODEL 15
1 H1 MET 1 1H MET 1 2.378 17.031 12.167
2 H2 MET 1 2H MET 1 0.943 16.515 12.901
3 H3 MET 1 3H MET 1 0.928 17.002 11.285
4 HA MET 1 HA MET 1 2.292 15.155 10.652
5 HB2 MET 1 1HB MET 1 3.449 15.049 12.950
6 HB3 MET 1 2HB MET 1 2.016 14.225 13.550
7 HG2 MET 1 1HG MET 1 3.749 13.180 11.293
8 HG3 MET 1 2HG MET 1 3.929 12.712 12.982
9 HE1 MET 1 3HE MET 1 3.735 10.112 11.984
10 HE2 MET 1 1HE MET 1 3.458 10.774 10.377
11 HE3 MET 1 2HE MET 1 2.343 9.577 11.045
12 H SER 2 H SER 2 1.056 13.558 9.676
13 HA SER 2 HA SER 2 -1.565 12.817 10.787
14 HB2 SER 2 1HB SER 2 -1.934 14.739 9.216
15 HB3 SER 2 2HB SER 2 -1.186 13.807 7.923
16 HG SER 2 HG SER 2 -3.142 13.136 7.602
17 H GLY 3 H GLY 3 -2.446 10.875 9.842
18 HA2 GLY 3 1HA GLY 3 -0.489 8.811 9.436
19 HA3 GLY 3 2HA GLY 3 -2.238 8.624 9.481
20 H ALA 4 H ALA 4 0.536 9.222 7.446
21 HA ALA 4 HA ALA 4 -0.640 9.844 4.976
22 HB1 ALA 4 3HB ALA 4 1.521 9.176 3.987
23 HB2 ALA 4 1HB ALA 4 1.981 8.379 5.496
24 HB3 ALA 4 2HB ALA 4 1.771 10.130 5.449
25 H ARG 5 H ARG 5 -1.518 8.636 3.372
26 HA ARG 5 HA ARG 5 -1.678 5.710 3.590
27 HB2 ARG 5 1HB ARG 5 -4.166 5.784 3.429
28 HB3 ARG 5 2HB ARG 5 -3.577 6.517 4.918
29 HG2 ARG 5 1HG ARG 5 -3.886 8.777 3.905
30 HG3 ARG 5 2HG ARG 5 -4.527 8.017 2.449
31 HD2 ARG 5 1HD ARG 5 -6.359 8.826 3.824
32 HD3 ARG 5 2HD ARG 5 -6.385 7.061 3.792
33 HE ARG 5 HE ARG 5 -5.062 7.379 6.018
34 HH11 ARG 5 1HH1 ARG 5 -7.785 9.341 4.979
35 HH12 ARG 5 2HH1 ARG 5 -8.334 9.631 6.596
36 HH21 ARG 5 1HH2 ARG 5 -5.790 7.760 8.108
37 HH22 ARG 5 2HH2 ARG 5 -7.198 8.736 8.380
38 H CYS 6 H CYS 6 -2.335 4.686 1.711
39 HA CYS 6 HA CYS 6 -2.829 6.208 -0.755
40 HB2 CYS 6 1HB CYS 6 -0.738 4.007 -0.454
41 HB3 CYS 6 2HB CYS 6 -1.273 4.666 -1.999
42 HG CYS 6 HG CYS 6 -0.293 7.122 -0.030
43 H ARG 7 H ARG 7 -4.044 5.034 -2.289
44 HA ARG 7 HA ARG 7 -5.540 2.728 -1.193
45 HB2 ARG 7 1HB ARG 7 -6.818 4.855 -1.622
46 HB3 ARG 7 2HB ARG 7 -6.395 4.737 -3.328
47 HG2 ARG 7 1HG ARG 7 -7.651 2.622 -3.506
48 HG3 ARG 7 2HG ARG 7 -8.035 2.693 -1.782
49 HD2 ARG 7 1HD ARG 7 -9.278 4.806 -2.168
50 HD3 ARG 7 2HD ARG 7 -8.921 4.693 -3.895
51 HE ARG 7 HE ARG 7 -10.916 3.248 -2.410
52 HH11 ARG 7 1HH1 ARG 7 -8.965 3.165 -5.332
53 HH12 ARG 7 2HH1 ARG 7 -10.008 2.047 -6.139
54 HH21 ARG 7 1HH2 ARG 7 -12.297 1.807 -3.498
55 HH22 ARG 7 2HH2 ARG 7 -11.906 1.298 -5.111
56 H THR 8 H THR 8 -5.993 0.983 -2.562
57 HA THR 8 HA THR 8 -4.198 0.522 -4.819
58 HB THR 8 HB THR 8 -5.361 -1.766 -4.800
59 HG1 THR 8 HG1 THR 8 -6.410 -1.913 -2.513
60 HG21 THR 8 3HG2 THR 8 -4.067 -0.862 -2.196
61 HG22 THR 8 1HG2 THR 8 -3.210 -1.434 -3.630
62 HG23 THR 8 2HG2 THR 8 -4.254 -2.535 -2.729
63 H LEU 9 H LEU 9 -4.741 0.719 -6.861
64 HA LEU 9 HA LEU 9 -7.304 1.712 -7.747
65 HB2 LEU 9 1HB LEU 9 -4.807 0.885 -9.283
66 HB3 LEU 9 2HB LEU 9 -6.184 1.730 -9.980
67 HG LEU 9 HG LEU 9 -4.411 2.882 -7.782
68 HD11 LEU 9 1HD1 LEU 9 -4.351 3.484 -10.761
69 HD12 LEU 9 2HD1 LEU 9 -3.115 2.613 -9.848
70 HD13 LEU 9 3HD1 LEU 9 -3.421 4.314 -9.508
71 HD21 LEU 9 3HD2 LEU 9 -6.685 3.790 -7.762
72 HD22 LEU 9 1HD2 LEU 9 -6.574 4.177 -9.481
73 HD23 LEU 9 2HD2 LEU 9 -5.543 5.007 -8.314
74 H TYR 10 H TYR 10 -5.317 -1.194 -8.356
75 HA TYR 10 HA TYR 10 -7.697 -2.722 -9.215
76 HB2 TYR 10 1HB TYR 10 -5.034 -2.614 -10.719
77 HB3 TYR 10 2HB TYR 10 -6.376 -3.679 -11.116
78 HD1 TYR 10 HD1 TYR 10 -8.560 -2.656 -11.965
79 HD2 TYR 10 HD2 TYR 10 -4.978 -0.353 -11.549
80 HE1 TYR 10 HE1 TYR 10 -9.491 -0.927 -13.452
81 HE2 TYR 10 HE2 TYR 10 -5.918 1.367 -13.034
82 HH TYR 10 HH TYR 10 -7.595 1.542 -14.821
83 HA PRO 11 HA PRO 11 -5.506 -5.929 -6.844
84 HB2 PRO 11 1HB PRO 11 -6.776 -8.187 -7.696
85 HB3 PRO 11 2HB PRO 11 -7.544 -7.024 -6.605
86 HG2 PRO 11 1HG PRO 11 -7.970 -7.445 -9.536
87 HG3 PRO 11 2HG PRO 11 -9.135 -6.956 -8.291
88 HD2 PRO 11 1HD PRO 11 -7.862 -5.227 -10.114
89 HD3 PRO 11 2HD PRO 11 -8.688 -4.724 -8.628
90 H PHE 12 H PHE 12 -3.505 -5.490 -7.915
91 HA PHE 12 HA PHE 12 -2.917 -6.898 -10.422
92 HB2 PHE 12 1HB PHE 12 -2.288 -4.522 -10.305
93 HB3 PHE 12 2HB PHE 12 -1.288 -4.830 -8.891
94 HD1 PHE 12 HD2 PHE 12 -1.644 -6.388 -12.303
95 HD2 PHE 12 HD1 PHE 12 1.004 -4.709 -9.390
96 HE1 PHE 12 HE2 PHE 12 0.268 -6.833 -13.782
97 HE2 PHE 12 HE1 PHE 12 2.911 -5.153 -10.881
98 HZ PHE 12 HZ PHE 12 2.544 -6.214 -13.074
99 H SER 13 H SER 13 -2.611 -8.980 -9.972
100 HA SER 13 HA SER 13 -0.081 -9.765 -8.819
101 HB2 SER 13 1HB SER 13 -2.684 -10.975 -7.745
102 HB3 SER 13 2HB SER 13 -1.062 -11.567 -7.380
103 HG SER 13 HG SER 13 -0.881 -9.122 -6.727
104 H GLY 14 H GLY 14 -0.222 -9.741 -11.311
105 HA2 GLY 14 1HA GLY 14 -1.623 -11.719 -12.784
106 HA3 GLY 14 2HA GLY 14 -0.169 -10.883 -13.308
107 H GLU 15 H GLU 15 1.490 -11.728 -11.191
108 HA GLU 15 HA GLU 15 1.571 -14.681 -11.323
109 HB2 GLU 15 1HB GLU 15 3.383 -13.903 -12.725
110 HB3 GLU 15 2HB GLU 15 3.880 -12.697 -11.548
111 HG2 GLU 15 1HG GLU 15 5.468 -14.515 -11.564
112 HG3 GLU 15 2HG GLU 15 4.622 -14.503 -10.021
113 H ARG 16 H ARG 16 1.843 -15.664 -9.377
114 HA ARG 16 HA ARG 16 1.438 -14.269 -6.940
115 HB2 ARG 16 1HB ARG 16 0.741 -16.651 -7.328
116 HB3 ARG 16 2HB ARG 16 2.439 -17.121 -7.379
117 HG2 ARG 16 1HG ARG 16 2.655 -16.288 -4.981
118 HG3 ARG 16 2HG ARG 16 0.903 -16.053 -4.979
119 HD2 ARG 16 1HD ARG 16 2.392 -18.679 -5.323
120 HD3 ARG 16 2HD ARG 16 1.423 -18.193 -3.930
121 HE ARG 16 HE ARG 16 -0.271 -18.112 -6.122
122 HH11 ARG 16 1HH1 ARG 16 1.553 -20.578 -4.410
123 HH12 ARG 16 2HH1 ARG 16 0.510 -21.865 -4.908
124 HH21 ARG 16 1HH2 ARG 16 -1.622 -19.800 -6.780
125 HH22 ARG 16 2HH2 ARG 16 -1.294 -21.424 -6.264
126 H HIS 17 H HIS 17 4.245 -15.977 -8.305
127 HA HIS 17 HA HIS 17 6.457 -15.909 -8.078
128 HB2 HIS 17 1HB HIS 17 6.297 -13.549 -8.703
129 HB3 HIS 17 2HB HIS 17 5.989 -13.092 -7.029
130 HD2 HIS 17 HD2 HIS 17 8.196 -12.389 -5.642
131 HE1 HIS 17 HE1 HIS 17 11.066 -14.084 -8.248
132 HE2 HIS 17 HE2 HIS 17 10.705 -12.561 -6.257
133 H GLY 18 H GLY 18 5.674 -14.031 -5.153
134 HA2 GLY 18 1HA GLY 18 5.612 -15.601 -3.059
135 HA3 GLY 18 2HA GLY 18 7.294 -15.874 -3.508
136 H GLN 19 H GLN 19 8.496 -13.732 -3.997
137 HA GLN 19 HA GLN 19 8.490 -12.191 -1.562
138 HB2 GLN 19 1HB GLN 19 10.210 -11.764 -4.054
139 HB3 GLN 19 2HB GLN 19 10.514 -11.120 -2.442
140 HG2 GLN 19 1HG GLN 19 10.679 -14.009 -3.331
141 HG3 GLN 19 2HG GLN 19 12.013 -12.970 -2.839
142 HE21 GLN 19 2HE2 GLN 19 12.244 -12.472 -0.589
143 HE22 GLN 19 1HE2 GLN 19 11.522 -13.473 0.621
144 H GLY 20 H GLY 20 6.883 -10.740 -1.344
145 HA2 GLY 20 1HA GLY 20 6.686 -8.287 -2.500
146 HA3 GLY 20 2HA GLY 20 5.692 -9.303 -3.547
147 H LEU 21 H LEU 21 3.950 -7.857 -2.777
148 HA LEU 21 HA LEU 21 2.590 -9.080 -0.485
149 HB2 LEU 21 1HB LEU 21 3.766 -6.902 0.251
150 HB3 LEU 21 2HB LEU 21 2.676 -6.049 -0.829
151 HG LEU 21 HG LEU 21 0.729 -6.988 0.506
152 HD11 LEU 21 1HD1 LEU 21 2.932 -7.942 2.364
153 HD12 LEU 21 2HD1 LEU 21 1.753 -8.938 1.504
154 HD13 LEU 21 3HD1 LEU 21 1.222 -7.858 2.789
155 HD21 LEU 21 3HD2 LEU 21 0.952 -5.430 2.393
156 HD22 LEU 21 1HD2 LEU 21 1.508 -4.690 0.895
157 HD23 LEU 21 2HD2 LEU 21 2.679 -5.272 2.077
158 H ARG 22 H ARG 22 0.645 -9.746 -1.231
159 HA ARG 22 HA ARG 22 -0.393 -8.878 -3.786
160 HB2 ARG 22 1HB ARG 22 -0.602 -11.231 -3.170
161 HB3 ARG 22 2HB ARG 22 -1.490 -10.822 -1.708
162 HG2 ARG 22 1HG ARG 22 -3.398 -10.039 -3.034
163 HG3 ARG 22 2HG ARG 22 -2.505 -10.305 -4.531
164 HD2 ARG 22 1HD ARG 22 -4.163 -12.104 -4.065
165 HD3 ARG 22 2HD ARG 22 -2.509 -12.714 -4.155
166 HE ARG 22 HE ARG 22 -2.550 -13.211 -1.898
167 HH11 ARG 22 1HH1 ARG 22 -5.485 -11.466 -2.656
168 HH12 ARG 22 2HH1 ARG 22 -6.248 -11.877 -1.158
169 HH21 ARG 22 1HH2 ARG 22 -3.553 -13.744 0.045
170 HH22 ARG 22 2HH2 ARG 22 -5.157 -13.171 0.374
171 H PHE 23 H PHE 23 -1.674 -7.198 -4.073
172 HA PHE 23 HA PHE 23 -3.339 -6.141 -1.870
173 HB2 PHE 23 1HB PHE 23 -2.956 -3.865 -2.846
174 HB3 PHE 23 2HB PHE 23 -1.491 -4.610 -2.234
175 HD1 PHE 23 HD2 PHE 23 0.210 -5.543 -3.879
176 HD2 PHE 23 HD1 PHE 23 -3.115 -3.178 -5.164
177 HE1 PHE 23 HE2 PHE 23 1.362 -5.068 -6.005
178 HE2 PHE 23 HE1 PHE 23 -1.955 -2.719 -7.288
179 HZ PHE 23 HZ PHE 23 0.284 -3.653 -7.702
180 H ALA 24 H ALA 24 -5.435 -5.947 -2.274
181 HA ALA 24 HA ALA 24 -6.505 -6.408 -4.998
182 HB1 ALA 24 3HB ALA 24 -7.211 -8.015 -3.261
183 HB2 ALA 24 1HB ALA 24 -8.586 -7.089 -3.868
184 HB3 ALA 24 2HB ALA 24 -7.875 -6.693 -2.300
185 H ALA 25 H ALA 25 -8.311 -5.101 -5.719
186 HA ALA 25 HA ALA 25 -7.976 -2.326 -5.488
187 HB1 ALA 25 3HB ALA 25 -9.000 -3.392 -7.455
188 HB2 ALA 25 1HB ALA 25 -10.065 -2.149 -6.802
189 HB3 ALA 25 2HB ALA 25 -10.404 -3.853 -6.493
190 H GLY 26 H GLY 26 -8.547 -0.950 -3.916
191 HA2 GLY 26 1HA GLY 26 -10.329 0.158 -2.696
192 HA3 GLY 26 2HA GLY 26 -10.987 -1.415 -2.275
193 H GLU 27 H GLU 27 -8.139 -2.358 -1.761
194 HA GLU 27 HA GLU 27 -8.049 -2.019 1.028
195 HB2 GLU 27 1HB GLU 27 -5.855 -2.902 -0.898
196 HB3 GLU 27 2HB GLU 27 -5.739 -3.027 0.855
197 HG2 GLU 27 1HG GLU 27 -7.793 -4.442 -0.877
198 HG3 GLU 27 2HG GLU 27 -6.326 -5.170 -0.221
199 H LEU 28 H LEU 28 -7.270 -0.449 2.288
200 HA LEU 28 HA LEU 28 -5.636 1.734 1.168
201 HB2 LEU 28 1HB LEU 28 -7.056 1.503 3.856
202 HB3 LEU 28 2HB LEU 28 -6.128 2.902 3.322
203 HG LEU 28 HG LEU 28 -8.713 1.884 2.058
204 HD11 LEU 28 1HD1 LEU 28 -9.711 3.974 2.852
205 HD12 LEU 28 2HD1 LEU 28 -8.195 4.419 3.640
206 HD13 LEU 28 3HD1 LEU 28 -9.100 3.010 4.197
207 HD21 LEU 28 3HD2 LEU 28 -7.018 4.281 1.262
208 HD22 LEU 28 1HD2 LEU 28 -8.615 3.891 0.614
209 HD23 LEU 28 2HD2 LEU 28 -7.260 2.808 0.319
210 H ILE 29 H ILE 29 -3.524 1.720 1.484
211 HA ILE 29 HA ILE 29 -2.248 0.092 3.595
212 HB ILE 29 HB ILE 29 -1.138 1.223 0.966
213 HG12 ILE 29 1HG1 ILE 29 -0.553 -1.268 0.558
214 HG13 ILE 29 2HG1 ILE 29 -1.570 -1.640 1.942
215 HG21 ILE 29 1HG2 ILE 29 1.055 0.207 1.556
216 HG22 ILE 29 2HG2 ILE 29 0.434 -0.159 3.166
217 HG23 ILE 29 3HG2 ILE 29 0.603 1.520 2.649
218 HD11 ILE 29 3HD1 ILE 29 -3.496 -0.723 0.757
219 HD12 ILE 29 1HD1 ILE 29 -2.716 -2.018 -0.147
220 HD13 ILE 29 2HD1 ILE 29 -2.464 -0.337 -0.623
221 H THR 30 H THR 30 -1.766 1.263 5.382
222 HA THR 30 HA THR 30 -1.392 4.163 5.262
223 HB THR 30 HB THR 30 -1.325 2.280 7.669
224 HG1 THR 30 HG1 THR 30 -3.356 2.683 6.373
225 HG21 THR 30 3HG2 THR 30 -0.080 4.367 8.140
226 HG22 THR 30 1HG2 THR 30 -1.609 4.336 9.030
227 HG23 THR 30 2HG2 THR 30 -1.448 5.328 7.581
228 H LEU 31 H LEU 31 0.530 4.893 4.673
229 HA LEU 31 HA LEU 31 2.940 3.416 4.616
230 HB2 LEU 31 1HB LEU 31 2.368 6.382 4.265
231 HB3 LEU 31 2HB LEU 31 3.979 5.698 4.101
232 HG LEU 31 HG LEU 31 3.106 4.247 2.229
233 HD11 LEU 31 1HD1 LEU 31 0.712 4.253 2.767
234 HD12 LEU 31 2HD1 LEU 31 0.998 4.817 1.122
235 HD13 LEU 31 3HD1 LEU 31 0.629 5.978 2.400
236 HD21 LEU 31 3HD2 LEU 31 2.846 7.236 1.807
237 HD22 LEU 31 1HD2 LEU 31 3.122 6.029 0.547
238 HD23 LEU 31 2HD2 LEU 31 4.349 6.312 1.780
239 H LEU 32 H LEU 32 4.144 2.886 6.283
240 HA LEU 32 HA LEU 32 4.087 4.303 8.835
241 HB2 LEU 32 1HB LEU 32 5.776 1.912 7.996
242 HB3 LEU 32 2HB LEU 32 5.500 2.478 9.641
243 HG LEU 32 HG LEU 32 3.444 1.182 7.797
244 HD11 LEU 32 1HD1 LEU 32 5.026 -0.418 8.732
245 HD12 LEU 32 2HD1 LEU 32 3.434 -0.640 9.446
246 HD13 LEU 32 3HD1 LEU 32 4.706 0.170 10.368
247 HD21 LEU 32 3HD2 LEU 32 3.023 2.255 10.612
248 HD22 LEU 32 1HD2 LEU 32 1.861 1.283 9.702
249 HD23 LEU 32 2HD2 LEU 32 2.308 2.887 9.127
250 H GLN 33 H GLN 33 6.199 3.762 6.081
251 HA GLN 33 HA GLN 33 8.242 5.631 7.148
252 HB2 GLN 33 1HB GLN 33 8.621 3.376 5.115
253 HB3 GLN 33 2HB GLN 33 9.883 4.433 5.747
254 HG2 GLN 33 1HG GLN 33 8.293 2.405 7.351
255 HG3 GLN 33 2HG GLN 33 9.951 2.203 6.784
256 HE21 GLN 33 2HE2 GLN 33 8.871 2.180 9.528
257 HE22 GLN 33 1HE2 GLN 33 9.746 3.396 10.390
258 H VAL 34 H VAL 34 8.698 7.399 5.906
259 HA VAL 34 HA VAL 34 7.904 7.557 3.092
260 HB VAL 34 HB VAL 34 6.937 9.954 3.575
261 HG11 VAL 34 1HG1 VAL 34 5.298 7.522 4.382
262 HG12 VAL 34 2HG1 VAL 34 5.515 8.134 2.742
263 HG13 VAL 34 3HG1 VAL 34 4.639 9.099 3.930
264 HG21 VAL 34 3HG2 VAL 34 7.587 10.144 5.951
265 HG22 VAL 34 1HG2 VAL 34 6.586 8.751 6.358
266 HG23 VAL 34 2HG2 VAL 34 5.832 10.244 5.790
267 HA PRO 35 HA PRO 35 12.038 9.675 3.931
268 HB2 PRO 35 1HB PRO 35 13.247 7.610 2.183
269 HB3 PRO 35 2HB PRO 35 13.677 8.060 3.837
270 HG2 PRO 35 1HG PRO 35 12.521 5.684 3.269
271 HG3 PRO 35 2HG PRO 35 12.176 6.551 4.785
272 HD2 PRO 35 1HD PRO 35 10.552 6.506 2.226
273 HD3 PRO 35 2HD PRO 35 10.008 6.241 3.902
274 H ASP 36 H ASP 36 13.744 10.104 1.993
275 HA ASP 36 HA ASP 36 12.308 11.568 -0.042
276 HB2 ASP 36 1HB ASP 36 15.300 11.167 0.423
277 HB3 ASP 36 2HB ASP 36 14.629 12.240 -0.800
278 H GLY 37 H GLY 37 11.345 10.233 -1.536
279 HA2 GLY 37 1HA GLY 37 12.658 9.415 -3.793
280 HA3 GLY 37 2HA GLY 37 12.675 7.982 -2.771
281 H GLY 38 H GLY 38 11.400 6.918 -4.375
282 HA2 GLY 38 1HA GLY 38 8.527 7.683 -4.449
283 HA3 GLY 38 2HA GLY 38 9.347 6.691 -5.641
284 H TRP 39 H TRP 39 10.786 5.168 -3.552
285 HA TRP 39 HA TRP 39 8.790 3.111 -3.074
286 HB2 TRP 39 1HB TRP 39 11.767 3.241 -2.411
287 HB3 TRP 39 2HB TRP 39 10.752 1.847 -2.071
288 HD1 TRP 39 HD1 TRP 39 11.866 3.902 -5.210
289 HE1 TRP 39 HE1 TRP 39 12.114 2.254 -7.165
290 HE3 TRP 39 HE3 TRP 39 10.319 -0.403 -2.889
291 HZ2 TRP 39 HZ2 TRP 39 11.714 -0.479 -7.683
292 HZ3 TRP 39 HZ3 TRP 39 10.288 -2.485 -4.196
293 HH2 TRP 39 HH2 TRP 39 10.974 -2.532 -6.544
294 H TRP 40 H TRP 40 7.455 3.390 -1.391
295 HA TRP 40 HA TRP 40 8.537 4.159 1.262
296 HB2 TRP 40 1HB TRP 40 5.770 4.834 0.153
297 HB3 TRP 40 2HB TRP 40 6.360 5.237 1.762
298 HD1 TRP 40 HD1 TRP 40 9.057 6.628 1.260
299 HE1 TRP 40 HE1 TRP 40 9.211 8.850 -0.003
300 HE3 TRP 40 HE3 TRP 40 4.666 6.386 -1.358
301 HZ2 TRP 40 HZ2 TRP 40 7.708 10.311 -1.868
302 HZ3 TRP 40 HZ3 TRP 40 4.107 8.247 -2.867
303 HH2 TRP 40 HH2 TRP 40 5.590 10.173 -3.117
304 H GLU 41 H GLU 41 7.935 2.860 2.978
305 HA GLU 41 HA GLU 41 6.539 0.360 2.326
306 HB2 GLU 41 1HB GLU 41 8.160 1.093 4.800
307 HB3 GLU 41 2HB GLU 41 7.427 -0.479 4.476
308 HG2 GLU 41 1HG GLU 41 8.859 -0.490 2.319
309 HG3 GLU 41 2HG GLU 41 9.748 0.842 3.054
310 H GLY 42 H GLY 42 4.691 -0.282 3.265
311 HA2 GLY 42 1HA GLY 42 3.398 1.294 5.382
312 HA3 GLY 42 2HA GLY 42 2.588 1.153 3.824
313 H GLU 43 H GLU 43 1.159 0.261 5.857
314 HA GLU 43 HA GLU 43 1.536 -2.668 6.010
315 HB2 GLU 43 1HB GLU 43 2.167 -0.995 8.084
316 HB3 GLU 43 2HB GLU 43 0.463 -1.229 8.431
317 HG2 GLU 43 1HG GLU 43 2.398 -3.535 8.063
318 HG3 GLU 43 2HG GLU 43 2.147 -2.745 9.616
319 H LYS 44 H LYS 44 -0.289 -3.882 6.180
320 HA LYS 44 HA LYS 44 -2.843 -2.817 5.240
321 HB2 LYS 44 1HB LYS 44 -1.967 -5.656 5.917
322 HB3 LYS 44 2HB LYS 44 -3.429 -5.213 5.046
323 HG2 LYS 44 1HG LYS 44 -2.147 -4.514 3.112
324 HG3 LYS 44 2HG LYS 44 -0.625 -4.674 3.998
325 HD2 LYS 44 1HD LYS 44 -2.514 -6.962 3.290
326 HD3 LYS 44 2HD LYS 44 -0.993 -6.592 2.471
327 HE2 LYS 44 1HE LYS 44 0.283 -7.114 4.478
328 HE3 LYS 44 2HE LYS 44 -1.188 -7.287 5.426
329 HZ1 LYS 44 3HZ LYS 44 -0.235 -9.054 3.264
330 HZ2 LYS 44 1HZ LYS 44 -1.765 -9.185 3.982
331 HZ3 LYS 44 2HZ LYS 44 -0.367 -9.411 4.909
332 H GLU 45 H GLU 45 -4.786 -4.166 6.373
333 HA GLU 45 HA GLU 45 -4.689 -3.910 9.298
334 HB2 GLU 45 1HB GLU 45 -6.912 -5.003 7.510
335 HB3 GLU 45 2HB GLU 45 -7.058 -4.559 9.209
336 HG2 GLU 45 1HG GLU 45 -6.523 -2.665 6.898
337 HG3 GLU 45 2HG GLU 45 -8.059 -2.869 7.736
338 H ASP 46 H ASP 46 -2.762 -5.538 9.152
339 HA ASP 46 HA ASP 46 -3.685 -8.321 9.331
340 HB2 ASP 46 1HB ASP 46 -3.324 -7.936 6.920
341 HB3 ASP 46 2HB ASP 46 -1.677 -7.395 7.232
342 H GLY 47 H GLY 47 -0.819 -6.187 9.316
343 HA2 GLY 47 1HA GLY 47 0.671 -6.128 11.237
344 HA3 GLY 47 2HA GLY 47 0.400 -7.845 11.466
345 H LEU 48 H LEU 48 0.659 -7.800 8.263
346 HA LEU 48 HA LEU 48 3.612 -7.958 8.202
347 HB2 LEU 48 1HB LEU 48 1.456 -9.091 6.406
348 HB3 LEU 48 2HB LEU 48 3.101 -8.939 5.823
349 HG LEU 48 HG LEU 48 2.689 -11.221 6.569
350 HD11 LEU 48 1HD1 LEU 48 4.942 -10.362 6.843
351 HD12 LEU 48 2HD1 LEU 48 4.560 -11.522 8.114
352 HD13 LEU 48 3HD1 LEU 48 4.560 -9.789 8.466
353 HD21 LEU 48 3HD2 LEU 48 2.180 -11.817 8.877
354 HD22 LEU 48 1HD2 LEU 48 0.905 -10.799 8.212
355 HD23 LEU 48 2HD2 LEU 48 2.088 -10.113 9.330
356 H ARG 49 H ARG 49 4.824 -6.525 7.089
357 HA ARG 49 HA ARG 49 3.489 -4.180 5.877
358 HB2 ARG 49 1HB ARG 49 5.019 -3.857 7.869
359 HB3 ARG 49 2HB ARG 49 6.356 -4.455 6.897
360 HG2 ARG 49 1HG ARG 49 5.889 -2.511 5.300
361 HG3 ARG 49 2HG ARG 49 4.778 -1.888 6.522
362 HD2 ARG 49 1HD ARG 49 6.843 -0.740 6.846
363 HD3 ARG 49 2HD ARG 49 6.746 -1.930 8.151
364 HE ARG 49 HE ARG 49 8.261 -2.542 5.683
365 HH11 ARG 49 1HH1 ARG 49 8.309 -2.151 9.179
366 HH12 ARG 49 2HH1 ARG 49 9.975 -2.622 9.301
367 HH21 ARG 49 1HH2 ARG 49 10.398 -3.130 5.875
368 HH22 ARG 49 2HH2 ARG 49 11.157 -3.168 7.437
369 H GLY 50 H GLY 50 4.059 -3.495 3.823
370 HA2 GLY 50 1HA GLY 50 6.079 -5.029 2.291
371 HA3 GLY 50 2HA GLY 50 4.464 -4.745 1.635
372 H TRP 51 H TRP 51 6.949 -3.930 0.515
373 HA TRP 51 HA TRP 51 6.929 -0.996 0.744
374 HB2 TRP 51 1HB TRP 51 9.068 -1.415 -0.866
375 HB3 TRP 51 2HB TRP 51 9.177 -1.460 0.882
376 HD1 TRP 51 HD1 TRP 51 9.825 -3.748 2.015
377 HE1 TRP 51 HE1 TRP 51 10.656 -5.999 1.110
378 HE3 TRP 51 HE3 TRP 51 8.744 -3.108 -2.959
379 HZ2 TRP 51 HZ2 TRP 51 10.839 -7.339 -1.341
380 HZ3 TRP 51 HZ3 TRP 51 9.282 -4.941 -4.519
381 HH2 TRP 51 HH2 TRP 51 10.310 -7.013 -3.720
382 H PHE 52 H PHE 52 6.196 0.270 -0.838
383 HA PHE 52 HA PHE 52 5.587 -0.845 -3.508
384 HB2 PHE 52 1HB PHE 52 3.725 0.936 -1.849
385 HB3 PHE 52 2HB PHE 52 3.461 0.496 -3.534
386 HD1 PHE 52 HD1 PHE 52 3.269 -2.044 -4.077
387 HD2 PHE 52 HD2 PHE 52 2.812 -0.426 -0.141
388 HE1 PHE 52 HE1 PHE 52 2.042 -4.058 -3.385
389 HE2 PHE 52 HE2 PHE 52 1.584 -2.447 0.536
390 HZ PHE 52 HZ PHE 52 1.199 -4.260 -1.084
391 HA PRO 53 HA PRO 53 7.462 3.170 -4.779
392 HB2 PRO 53 1HB PRO 53 6.596 2.199 -7.475
393 HB3 PRO 53 2HB PRO 53 8.188 2.752 -6.938
394 HG2 PRO 53 1HG PRO 53 7.716 0.148 -7.415
395 HG3 PRO 53 2HG PRO 53 8.778 0.660 -6.087
396 HD2 PRO 53 1HD PRO 53 5.900 -0.247 -5.971
397 HD3 PRO 53 2HD PRO 53 7.258 -0.676 -4.905
398 H ALA 54 H ALA 54 6.495 5.065 -5.520
399 HA ALA 54 HA ALA 54 3.809 5.554 -4.894
400 HB1 ALA 54 3HB ALA 54 4.224 7.826 -5.762
401 HB2 ALA 54 1HB ALA 54 5.705 7.270 -6.555
402 HB3 ALA 54 2HB ALA 54 5.586 7.267 -4.795
403 H SER 55 H SER 55 5.306 4.603 -7.869
404 HA SER 55 HA SER 55 3.302 5.487 -9.705
405 HB2 SER 55 1HB SER 55 5.495 3.401 -10.040
406 HB3 SER 55 2HB SER 55 4.584 4.144 -11.360
407 HG SER 55 HG SER 55 6.692 5.129 -9.895
408 H TYR 56 H TYR 56 3.397 2.744 -7.588
409 HA TYR 56 HA TYR 56 1.572 1.121 -9.258
410 HB2 TYR 56 1HB TYR 56 3.121 0.515 -6.713
411 HB3 TYR 56 2HB TYR 56 1.908 -0.586 -7.359
412 HD1 TYR 56 HD1 TYR 56 5.162 1.059 -8.151
413 HD2 TYR 56 HD2 TYR 56 2.446 -2.077 -9.181
414 HE1 TYR 56 HE1 TYR 56 6.861 0.066 -9.632
415 HE2 TYR 56 HE2 TYR 56 4.150 -3.073 -10.646
416 HH TYR 56 HH TYR 56 7.370 -2.276 -10.536
417 H VAL 57 H VAL 57 1.503 3.247 -6.513
418 HA VAL 57 HA VAL 57 -1.201 2.307 -5.742
419 HB VAL 57 HB VAL 57 -0.700 3.213 -3.435
420 HG11 VAL 57 1HG1 VAL 57 1.156 0.983 -4.377
421 HG12 VAL 57 2HG1 VAL 57 -0.520 0.785 -3.857
422 HG13 VAL 57 3HG1 VAL 57 0.708 1.295 -2.697
423 HG21 VAL 57 3HG2 VAL 57 1.675 3.634 -2.771
424 HG22 VAL 57 1HG2 VAL 57 1.139 4.785 -4.001
425 HG23 VAL 57 2HG2 VAL 57 2.176 3.432 -4.449
426 H GLN 58 H GLN 58 -2.729 3.866 -5.179
427 HA GLN 58 HA GLN 58 -2.532 6.445 -6.462
428 HB2 GLN 58 1HB GLN 58 -4.625 5.178 -6.584
429 HB3 GLN 58 2HB GLN 58 -4.742 5.122 -4.830
430 HG2 GLN 58 1HG GLN 58 -5.122 7.524 -4.736
431 HG3 GLN 58 2HG GLN 58 -4.892 7.669 -6.481
432 HE21 GLN 58 2HE2 GLN 58 -6.558 6.975 -7.869
433 HE22 GLN 58 1HE2 GLN 58 -8.149 6.619 -7.295
434 H LEU 59 H LEU 59 -1.235 7.858 -5.388
435 HA LEU 59 HA LEU 59 -0.946 8.041 -2.559
436 HB2 LEU 59 1HB LEU 59 -0.353 10.220 -4.602
437 HB3 LEU 59 2HB LEU 59 0.336 10.060 -2.991
438 HG LEU 59 HG LEU 59 0.879 8.256 -5.387
439 HD11 LEU 59 1HD1 LEU 59 2.028 10.405 -5.520
440 HD12 LEU 59 2HD1 LEU 59 3.178 9.102 -5.234
441 HD13 LEU 59 3HD1 LEU 59 2.708 10.171 -3.910
442 HD21 LEU 59 3HD2 LEU 59 2.507 7.057 -3.952
443 HD22 LEU 59 1HD2 LEU 59 0.850 6.857 -3.385
444 HD23 LEU 59 2HD2 LEU 59 1.940 7.966 -2.549
445 H LEU 60 H LEU 60 -2.487 8.763 -1.204
446 HA LEU 60 HA LEU 60 -4.756 10.326 -2.185
447 HB2 LEU 60 1HB LEU 60 -4.247 9.075 0.550
448 HB3 LEU 60 2HB LEU 60 -5.745 9.852 0.051
449 HG LEU 60 HG LEU 60 -4.581 7.275 -1.092
450 HD11 LEU 60 1HD1 LEU 60 -6.579 6.183 -0.165
451 HD12 LEU 60 2HD1 LEU 60 -7.101 7.716 0.540
452 HD13 LEU 60 3HD1 LEU 60 -5.613 6.946 1.098
453 HD21 LEU 60 3HD2 LEU 60 -5.635 8.509 -2.910
454 HD22 LEU 60 1HD2 LEU 60 -7.098 8.750 -1.952
455 HD23 LEU 60 2HD2 LEU 60 -6.634 7.127 -2.474
Start of MODEL 16
1 H1 MET 1 1H MET 1 0.740 8.481 16.126
2 H2 MET 1 2H MET 1 0.591 10.164 16.182
3 H3 MET 1 3H MET 1 1.892 9.404 16.950
4 HA MET 1 HA MET 1 2.547 10.459 14.881
5 HB2 MET 1 1HB MET 1 2.650 7.408 14.858
6 HB3 MET 1 2HB MET 1 3.663 8.448 13.860
7 HG2 MET 1 1HG MET 1 4.721 9.377 15.853
8 HG3 MET 1 2HG MET 1 3.670 8.414 16.891
9 HE1 MET 1 3HE MET 1 4.955 4.757 16.148
10 HE2 MET 1 1HE MET 1 3.619 5.575 15.337
11 HE3 MET 1 2HE MET 1 3.825 5.734 17.084
12 H SER 2 H SER 2 2.285 10.710 12.652
13 HA SER 2 HA SER 2 -0.424 10.256 11.684
14 HB2 SER 2 1HB SER 2 0.286 11.788 9.824
15 HB3 SER 2 2HB SER 2 0.558 12.490 11.423
16 HG SER 2 HG SER 2 2.363 11.752 9.471
17 H GLY 3 H GLY 3 -1.007 9.028 9.920
18 HA2 GLY 3 1HA GLY 3 1.051 7.320 8.609
19 HA3 GLY 3 2HA GLY 3 -0.589 6.795 8.968
20 H ALA 4 H ALA 4 1.310 7.777 6.507
21 HA ALA 4 HA ALA 4 -0.431 9.577 5.085
22 HB1 ALA 4 3HB ALA 4 2.044 8.082 4.133
23 HB2 ALA 4 1HB ALA 4 2.013 9.719 4.796
24 HB3 ALA 4 2HB ALA 4 1.220 9.375 3.258
25 H ARG 5 H ARG 5 -2.318 8.782 4.337
26 HA ARG 5 HA ARG 5 -2.733 5.979 3.766
27 HB2 ARG 5 1HB ARG 5 -4.562 8.384 3.424
28 HB3 ARG 5 2HB ARG 5 -5.058 6.708 3.176
29 HG2 ARG 5 1HG ARG 5 -4.569 6.257 5.580
30 HG3 ARG 5 2HG ARG 5 -4.179 7.972 5.793
31 HD2 ARG 5 1HD ARG 5 -6.492 8.550 5.027
32 HD3 ARG 5 2HD ARG 5 -6.861 6.822 4.919
33 HE ARG 5 HE ARG 5 -5.920 7.387 7.512
34 HH11 ARG 5 1HH1 ARG 5 -8.758 8.066 5.539
35 HH12 ARG 5 2HH1 ARG 5 -9.821 8.168 6.902
36 HH21 ARG 5 1HH2 ARG 5 -7.312 7.559 9.268
37 HH22 ARG 5 2HH2 ARG 5 -8.992 7.890 9.024
38 H CYS 6 H CYS 6 -2.989 5.039 1.807
39 HA CYS 6 HA CYS 6 -3.110 6.628 -0.665
40 HB2 CYS 6 1HB CYS 6 -1.194 4.293 -0.203
41 HB3 CYS 6 2HB CYS 6 -1.469 5.086 -1.757
42 HG CYS 6 HG CYS 6 -0.137 6.556 1.023
43 H ARG 7 H ARG 7 -3.941 5.407 -2.435
44 HA ARG 7 HA ARG 7 -5.800 3.232 -1.719
45 HB2 ARG 7 1HB ARG 7 -5.809 5.299 -3.963
46 HB3 ARG 7 2HB ARG 7 -6.893 3.913 -3.951
47 HG2 ARG 7 1HG ARG 7 -6.807 6.056 -1.800
48 HG3 ARG 7 2HG ARG 7 -7.933 6.023 -3.161
49 HD2 ARG 7 1HD ARG 7 -8.699 3.744 -2.335
50 HD3 ARG 7 2HD ARG 7 -7.734 4.035 -0.881
51 HE ARG 7 HE ARG 7 -9.198 6.204 -0.811
52 HH11 ARG 7 1HH1 ARG 7 -10.331 2.961 -1.628
53 HH12 ARG 7 2HH1 ARG 7 -11.952 3.285 -1.110
54 HH21 ARG 7 1HH2 ARG 7 -11.304 6.598 -0.176
55 HH22 ARG 7 2HH2 ARG 7 -12.506 5.359 -0.302
56 H THR 8 H THR 8 -5.812 1.408 -2.957
57 HA THR 8 HA THR 8 -3.478 0.824 -4.642
58 HB THR 8 HB THR 8 -4.454 -1.554 -4.444
59 HG1 THR 8 HG1 THR 8 -5.952 -1.597 -2.494
60 HG21 THR 8 3HG2 THR 8 -2.609 -0.805 -2.965
61 HG22 THR 8 1HG2 THR 8 -3.724 -1.863 -2.101
62 HG23 THR 8 2HG2 THR 8 -3.786 -0.118 -1.838
63 H LEU 9 H LEU 9 -3.683 1.081 -6.809
64 HA LEU 9 HA LEU 9 -6.152 1.753 -8.077
65 HB2 LEU 9 1HB LEU 9 -3.394 1.145 -9.213
66 HB3 LEU 9 2HB LEU 9 -4.752 1.643 -10.218
67 HG LEU 9 HG LEU 9 -3.485 3.319 -8.004
68 HD11 LEU 9 1HD1 LEU 9 -2.013 3.131 -9.949
69 HD12 LEU 9 2HD1 LEU 9 -2.669 4.761 -9.821
70 HD13 LEU 9 3HD1 LEU 9 -3.320 3.641 -11.025
71 HD21 LEU 9 3HD2 LEU 9 -5.734 4.011 -9.929
72 HD22 LEU 9 1HD2 LEU 9 -4.951 5.131 -8.807
73 HD23 LEU 9 2HD2 LEU 9 -5.877 3.769 -8.184
74 H TYR 10 H TYR 10 -4.007 -1.098 -8.301
75 HA TYR 10 HA TYR 10 -6.267 -2.758 -9.239
76 HB2 TYR 10 1HB TYR 10 -3.504 -2.624 -10.552
77 HB3 TYR 10 2HB TYR 10 -4.675 -3.897 -10.876
78 HD1 TYR 10 HD1 TYR 10 -6.863 -3.333 -12.002
79 HD2 TYR 10 HD2 TYR 10 -3.743 -0.436 -11.606
80 HE1 TYR 10 HE1 TYR 10 -7.959 -1.924 -13.691
81 HE2 TYR 10 HE2 TYR 10 -4.838 0.971 -13.301
82 HH TYR 10 HH TYR 10 -8.037 0.371 -14.412
83 HA PRO 11 HA PRO 11 -4.697 -5.512 -6.098
84 HB2 PRO 11 1HB PRO 11 -5.917 -7.855 -7.410
85 HB3 PRO 11 2HB PRO 11 -6.443 -7.002 -5.954
86 HG2 PRO 11 1HG PRO 11 -7.844 -6.936 -8.294
87 HG3 PRO 11 2HG PRO 11 -7.859 -5.597 -7.125
88 HD2 PRO 11 1HD PRO 11 -6.239 -5.880 -9.665
89 HD3 PRO 11 2HD PRO 11 -7.147 -4.475 -9.055
90 H PHE 12 H PHE 12 -2.603 -6.173 -5.954
91 HA PHE 12 HA PHE 12 -1.545 -8.032 -8.002
92 HB2 PHE 12 1HB PHE 12 -0.567 -5.756 -8.361
93 HB3 PHE 12 2HB PHE 12 0.069 -5.779 -6.722
94 HD1 PHE 12 HD2 PHE 12 0.207 -7.645 -9.966
95 HD2 PHE 12 HD1 PHE 12 2.226 -6.707 -6.315
96 HE1 PHE 12 HE2 PHE 12 2.214 -8.813 -10.774
97 HE2 PHE 12 HE1 PHE 12 4.230 -7.878 -7.129
98 HZ PHE 12 HZ PHE 12 4.224 -8.938 -9.355
99 H SER 13 H SER 13 -1.698 -9.840 -6.887
100 HA SER 13 HA SER 13 0.221 -10.355 -4.778
101 HB2 SER 13 1HB SER 13 -2.754 -10.949 -4.385
102 HB3 SER 13 2HB SER 13 -1.452 -11.507 -3.328
103 HG SER 13 HG SER 13 -1.032 -8.986 -3.446
104 H GLY 14 H GLY 14 -0.086 -10.982 -7.584
105 HA2 GLY 14 1HA GLY 14 -1.201 -13.457 -8.255
106 HA3 GLY 14 2HA GLY 14 0.127 -12.686 -9.098
107 H GLU 15 H GLU 15 -0.771 -14.953 -6.618
108 HA GLU 15 HA GLU 15 0.196 -16.674 -5.537
109 HB2 GLU 15 1HB GLU 15 0.483 -17.404 -7.977
110 HB3 GLU 15 2HB GLU 15 2.145 -16.821 -7.890
111 HG2 GLU 15 1HG GLU 15 2.641 -18.453 -6.112
112 HG3 GLU 15 2HG GLU 15 0.968 -19.003 -6.128
113 H ARG 16 H ARG 16 0.879 -14.342 -4.484
114 HA ARG 16 HA ARG 16 3.780 -14.332 -3.932
115 HB2 ARG 16 1HB ARG 16 1.640 -12.302 -3.137
116 HB3 ARG 16 2HB ARG 16 3.371 -12.141 -2.856
117 HG2 ARG 16 1HG ARG 16 1.979 -12.181 -5.557
118 HG3 ARG 16 2HG ARG 16 2.660 -10.767 -4.748
119 HD2 ARG 16 1HD ARG 16 4.199 -13.168 -5.804
120 HD3 ARG 16 2HD ARG 16 4.168 -11.552 -6.516
121 HE ARG 16 HE ARG 16 5.124 -10.891 -4.191
122 HH11 ARG 16 1HH1 ARG 16 5.985 -13.801 -5.961
123 HH12 ARG 16 2HH1 ARG 16 7.562 -13.903 -5.250
124 HH21 ARG 16 1HH2 ARG 16 7.184 -11.058 -3.258
125 HH22 ARG 16 2HH2 ARG 16 8.228 -12.367 -3.708
126 H HIS 17 H HIS 17 3.623 -16.333 -2.747
127 HA HIS 17 HA HIS 17 2.307 -16.329 -0.117
128 HB2 HIS 17 1HB HIS 17 3.952 -18.485 -1.530
129 HB3 HIS 17 2HB HIS 17 3.168 -18.684 0.035
130 HD2 HIS 17 HD2 HIS 17 0.307 -18.742 -0.055
131 HE1 HIS 17 HE1 HIS 17 0.233 -19.535 -4.209
132 HE2 HIS 17 HE2 HIS 17 -1.041 -19.730 -2.031
133 H GLY 18 H GLY 18 5.362 -15.623 -1.504
134 HA2 GLY 18 1HA GLY 18 7.046 -16.120 0.794
135 HA3 GLY 18 2HA GLY 18 7.479 -15.256 -0.674
136 H GLN 19 H GLN 19 8.613 -13.853 0.913
137 HA GLN 19 HA GLN 19 7.104 -12.217 2.731
138 HB2 GLN 19 1HB GLN 19 10.008 -12.269 1.886
139 HB3 GLN 19 2HB GLN 19 9.393 -10.921 2.834
140 HG2 GLN 19 1HG GLN 19 10.468 -12.585 4.264
141 HG3 GLN 19 2HG GLN 19 8.756 -12.445 4.645
142 HE21 GLN 19 2HE2 GLN 19 7.372 -14.203 4.194
143 HE22 GLN 19 1HE2 GLN 19 7.979 -15.782 3.836
144 H GLY 20 H GLY 20 5.545 -11.333 1.446
145 HA2 GLY 20 1HA GLY 20 6.131 -8.733 0.356
146 HA3 GLY 20 2HA GLY 20 5.575 -9.895 -0.853
147 H LEU 21 H LEU 21 4.244 -7.469 0.295
148 HA LEU 21 HA LEU 21 2.127 -8.527 2.010
149 HB2 LEU 21 1HB LEU 21 3.293 -6.419 2.609
150 HB3 LEU 21 2HB LEU 21 2.717 -5.679 1.124
151 HG LEU 21 HG LEU 21 0.404 -5.755 1.911
152 HD11 LEU 21 1HD1 LEU 21 -0.193 -6.550 4.166
153 HD12 LEU 21 2HD1 LEU 21 1.448 -7.145 4.401
154 HD13 LEU 21 3HD1 LEU 21 0.419 -7.857 3.157
155 HD21 LEU 21 3HD2 LEU 21 0.564 -4.169 3.765
156 HD22 LEU 21 1HD2 LEU 21 1.794 -3.827 2.552
157 HD23 LEU 21 2HD2 LEU 21 2.237 -4.637 4.055
158 H ARG 22 H ARG 22 -0.043 -8.485 1.508
159 HA ARG 22 HA ARG 22 -0.711 -8.538 -1.353
160 HB2 ARG 22 1HB ARG 22 -2.079 -9.808 1.055
161 HB3 ARG 22 2HB ARG 22 -2.663 -9.935 -0.608
162 HG2 ARG 22 1HG ARG 22 -0.591 -11.105 -1.257
163 HG3 ARG 22 2HG ARG 22 0.020 -10.961 0.394
164 HD2 ARG 22 1HD ARG 22 -1.817 -12.362 1.215
165 HD3 ARG 22 2HD ARG 22 -2.493 -12.468 -0.415
166 HE ARG 22 HE ARG 22 -0.110 -13.472 -0.893
167 HH11 ARG 22 1HH1 ARG 22 -2.079 -14.105 1.949
168 HH12 ARG 22 2HH1 ARG 22 -1.527 -15.736 2.111
169 HH21 ARG 22 1HH2 ARG 22 0.576 -15.621 -0.680
170 HH22 ARG 22 2HH2 ARG 22 -0.028 -16.598 0.624
171 H PHE 23 H PHE 23 -2.382 -7.377 -2.189
172 HA PHE 23 HA PHE 23 -4.074 -5.666 -0.585
173 HB2 PHE 23 1HB PHE 23 -3.260 -3.546 -1.669
174 HB3 PHE 23 2HB PHE 23 -2.084 -4.281 -0.590
175 HD1 PHE 23 HD2 PHE 23 -0.106 -5.559 -1.606
176 HD2 PHE 23 HD1 PHE 23 -2.705 -3.130 -3.977
177 HE1 PHE 23 HE2 PHE 23 1.608 -5.440 -3.372
178 HE2 PHE 23 HE1 PHE 23 -0.991 -3.022 -5.733
179 HZ PHE 23 HZ PHE 23 1.166 -4.166 -5.430
180 H ALA 24 H ALA 24 -5.966 -5.778 -1.497
181 HA ALA 24 HA ALA 24 -6.406 -6.180 -4.362
182 HB1 ALA 24 3HB ALA 24 -8.377 -6.009 -2.045
183 HB2 ALA 24 1HB ALA 24 -7.741 -7.496 -2.757
184 HB3 ALA 24 2HB ALA 24 -8.780 -6.437 -3.713
185 H ALA 25 H ALA 25 -7.763 -4.688 -5.571
186 HA ALA 25 HA ALA 25 -6.961 -1.993 -5.365
187 HB1 ALA 25 3HB ALA 25 -7.532 -3.080 -7.504
188 HB2 ALA 25 1HB ALA 25 -8.453 -1.593 -7.275
189 HB3 ALA 25 2HB ALA 25 -9.224 -3.162 -7.019
190 H GLY 26 H GLY 26 -7.743 -0.370 -4.164
191 HA2 GLY 26 1HA GLY 26 -9.639 1.091 -3.699
192 HA3 GLY 26 2HA GLY 26 -10.597 -0.330 -3.314
193 H GLU 27 H GLU 27 -8.014 -1.369 -1.925
194 HA GLU 27 HA GLU 27 -8.829 -0.594 0.709
195 HB2 GLU 27 1HB GLU 27 -6.416 -2.248 -0.169
196 HB3 GLU 27 2HB GLU 27 -7.002 -2.088 1.489
197 HG2 GLU 27 1HG GLU 27 -9.159 -3.113 0.790
198 HG3 GLU 27 2HG GLU 27 -8.496 -3.350 -0.828
199 H LEU 28 H LEU 28 -7.831 0.594 2.234
200 HA LEU 28 HA LEU 28 -6.027 2.706 1.397
201 HB2 LEU 28 1HB LEU 28 -7.640 2.169 3.909
202 HB3 LEU 28 2HB LEU 28 -6.377 3.381 3.923
203 HG LEU 28 HG LEU 28 -8.514 4.451 3.616
204 HD11 LEU 28 1HD1 LEU 28 -6.926 4.528 1.041
205 HD12 LEU 28 2HD1 LEU 28 -6.607 5.463 2.505
206 HD13 LEU 28 3HD1 LEU 28 -8.085 5.744 1.590
207 HD21 LEU 28 3HD2 LEU 28 -9.782 2.594 2.661
208 HD22 LEU 28 1HD2 LEU 28 -8.913 2.759 1.134
209 HD23 LEU 28 2HD2 LEU 28 -9.973 4.056 1.697
210 H ILE 29 H ILE 29 -3.916 2.238 1.351
211 HA ILE 29 HA ILE 29 -2.637 0.502 3.334
212 HB ILE 29 HB ILE 29 -1.481 1.944 0.899
213 HG12 ILE 29 1HG1 ILE 29 -3.040 0.164 0.228
214 HG13 ILE 29 2HG1 ILE 29 -1.392 -0.332 -0.135
215 HG21 ILE 29 1HG2 ILE 29 0.260 1.646 2.589
216 HG22 ILE 29 2HG2 ILE 29 0.542 0.549 1.238
217 HG23 ILE 29 3HG2 ILE 29 -0.137 -0.070 2.746
218 HD11 ILE 29 3HD1 ILE 29 -2.687 -2.178 0.724
219 HD12 ILE 29 1HD1 ILE 29 -3.068 -1.278 2.193
220 HD13 ILE 29 2HD1 ILE 29 -1.404 -1.770 1.862
221 H THR 30 H THR 30 -1.886 1.346 5.176
222 HA THR 30 HA THR 30 -1.457 4.206 5.531
223 HB THR 30 HB THR 30 -1.004 1.929 7.523
224 HG1 THR 30 HG1 THR 30 -3.105 1.785 7.494
225 HG21 THR 30 3HG2 THR 30 0.105 4.049 8.179
226 HG22 THR 30 1HG2 THR 30 -1.244 3.669 9.261
227 HG23 THR 30 2HG2 THR 30 -1.428 4.907 8.018
228 H LEU 31 H LEU 31 0.403 4.827 4.471
229 HA LEU 31 HA LEU 31 2.878 3.392 4.552
230 HB2 LEU 31 1HB LEU 31 2.393 6.331 3.914
231 HB3 LEU 31 2HB LEU 31 3.907 5.473 3.655
232 HG LEU 31 HG LEU 31 1.275 4.947 2.192
233 HD11 LEU 31 1HD1 LEU 31 2.420 5.847 0.218
234 HD12 LEU 31 2HD1 LEU 31 3.852 6.209 1.184
235 HD13 LEU 31 3HD1 LEU 31 2.328 7.046 1.509
236 HD21 LEU 31 3HD2 LEU 31 2.556 3.382 0.765
237 HD22 LEU 31 1HD2 LEU 31 2.517 2.844 2.444
238 HD23 LEU 31 2HD2 LEU 31 3.978 3.590 1.792
239 H LEU 32 H LEU 32 3.811 3.025 6.404
240 HA LEU 32 HA LEU 32 3.544 4.615 8.782
241 HB2 LEU 32 1HB LEU 32 5.399 2.284 8.137
242 HB3 LEU 32 2HB LEU 32 5.083 2.914 9.752
243 HG LEU 32 HG LEU 32 2.983 1.614 7.959
244 HD11 LEU 32 1HD1 LEU 32 4.624 -0.049 8.575
245 HD12 LEU 32 2HD1 LEU 32 3.144 -0.324 9.488
246 HD13 LEU 32 3HD1 LEU 32 4.538 0.417 10.279
247 HD21 LEU 32 3HD2 LEU 32 2.824 2.446 10.881
248 HD22 LEU 32 1HD2 LEU 32 1.577 1.569 9.986
249 HD23 LEU 32 2HD2 LEU 32 1.996 3.216 9.524
250 H GLN 33 H GLN 33 6.162 3.843 6.493
251 HA GLN 33 HA GLN 33 7.711 6.185 7.431
252 HB2 GLN 33 1HB GLN 33 8.812 3.441 6.660
253 HB3 GLN 33 2HB GLN 33 9.794 4.866 7.013
254 HG2 GLN 33 1HG GLN 33 8.887 4.899 9.324
255 HG3 GLN 33 2HG GLN 33 7.936 3.460 8.959
256 HE21 GLN 33 2HE2 GLN 33 8.918 2.292 10.611
257 HE22 GLN 33 1HE2 GLN 33 10.540 1.709 10.498
258 H VAL 34 H VAL 34 8.471 7.474 5.893
259 HA VAL 34 HA VAL 34 8.238 6.697 3.047
260 HB VAL 34 HB VAL 34 8.036 9.215 2.592
261 HG11 VAL 34 1HG1 VAL 34 5.772 7.913 4.162
262 HG12 VAL 34 2HG1 VAL 34 6.089 7.720 2.436
263 HG13 VAL 34 3HG1 VAL 34 5.601 9.293 3.070
264 HG21 VAL 34 3HG2 VAL 34 7.220 10.694 4.413
265 HG22 VAL 34 1HG2 VAL 34 8.844 10.097 4.768
266 HG23 VAL 34 2HG2 VAL 34 7.447 9.393 5.584
267 HA PRO 35 HA PRO 35 12.802 6.801 3.901
268 HB2 PRO 35 1HB PRO 35 12.781 5.575 1.150
269 HB3 PRO 35 2HB PRO 35 13.650 5.058 2.602
270 HG2 PRO 35 1HG PRO 35 11.483 3.726 1.791
271 HG3 PRO 35 2HG PRO 35 11.755 4.015 3.524
272 HD2 PRO 35 1HD PRO 35 9.887 5.435 1.634
273 HD3 PRO 35 2HD PRO 35 9.622 4.927 3.317
274 H ASP 36 H ASP 36 11.461 7.492 0.669
275 HA ASP 36 HA ASP 36 12.395 10.204 0.609
276 HB2 ASP 36 1HB ASP 36 14.541 9.119 0.059
277 HB3 ASP 36 2HB ASP 36 13.775 8.164 -1.204
278 H GLY 37 H GLY 37 11.948 7.824 -2.017
279 HA2 GLY 37 1HA GLY 37 9.334 8.795 -2.762
280 HA3 GLY 37 2HA GLY 37 10.625 9.375 -3.815
281 H GLY 38 H GLY 38 8.370 7.542 -4.377
282 HA2 GLY 38 1HA GLY 38 8.239 5.929 -6.056
283 HA3 GLY 38 2HA GLY 38 9.906 5.469 -5.763
284 H TRP 39 H TRP 39 10.086 4.697 -3.248
285 HA TRP 39 HA TRP 39 8.132 2.464 -3.009
286 HB2 TRP 39 1HB TRP 39 11.110 2.275 -2.363
287 HB3 TRP 39 2HB TRP 39 9.941 0.959 -2.453
288 HD1 TRP 39 HD1 TRP 39 12.301 2.998 -4.605
289 HE1 TRP 39 HE1 TRP 39 12.250 2.109 -7.015
290 HE3 TRP 39 HE3 TRP 39 8.274 -0.146 -4.240
291 HZ2 TRP 39 HZ2 TRP 39 10.724 0.319 -8.563
292 HZ3 TRP 39 HZ3 TRP 39 7.586 -1.411 -6.237
293 HH2 TRP 39 HH2 TRP 39 8.785 -1.184 -8.354
294 H TRP 40 H TRP 40 6.936 3.185 -1.295
295 HA TRP 40 HA TRP 40 8.349 3.990 1.186
296 HB2 TRP 40 1HB TRP 40 5.464 4.625 0.414
297 HB3 TRP 40 2HB TRP 40 6.336 5.219 1.825
298 HD1 TRP 40 HD1 TRP 40 8.646 6.786 1.081
299 HE1 TRP 40 HE1 TRP 40 8.694 8.661 -0.668
300 HE3 TRP 40 HE3 TRP 40 4.568 5.423 -1.656
301 HZ2 TRP 40 HZ2 TRP 40 7.223 9.448 -2.933
302 HZ3 TRP 40 HZ3 TRP 40 3.958 6.782 -3.611
303 HH2 TRP 40 HH2 TRP 40 5.256 8.757 -4.238
304 H GLU 41 H GLU 41 7.655 3.081 3.151
305 HA GLU 41 HA GLU 41 6.689 0.341 2.854
306 HB2 GLU 41 1HB GLU 41 7.942 1.804 5.215
307 HB3 GLU 41 2HB GLU 41 7.485 0.099 5.223
308 HG2 GLU 41 1HG GLU 41 9.117 -0.320 3.396
309 HG3 GLU 41 2HG GLU 41 9.596 1.381 3.449
310 H GLY 42 H GLY 42 4.658 -0.047 3.117
311 HA2 GLY 42 1HA GLY 42 3.036 1.356 5.151
312 HA3 GLY 42 2HA GLY 42 2.426 1.000 3.535
313 H GLU 43 H GLU 43 1.509 0.080 6.193
314 HA GLU 43 HA GLU 43 1.941 -2.830 5.975
315 HB2 GLU 43 1HB GLU 43 1.112 -3.003 8.283
316 HB3 GLU 43 2HB GLU 43 2.476 -1.905 8.193
317 HG2 GLU 43 1HG GLU 43 1.015 -0.852 9.692
318 HG3 GLU 43 2HG GLU 43 0.742 0.001 8.174
319 H LYS 44 H LYS 44 0.169 -4.197 6.232
320 HA LYS 44 HA LYS 44 -2.549 -3.133 5.834
321 HB2 LYS 44 1HB LYS 44 -1.280 -4.210 3.740
322 HB3 LYS 44 2HB LYS 44 -1.679 -5.727 4.524
323 HG2 LYS 44 1HG LYS 44 -3.727 -3.646 3.684
324 HG3 LYS 44 2HG LYS 44 -3.202 -4.997 2.669
325 HD2 LYS 44 1HD LYS 44 -3.958 -6.522 4.621
326 HD3 LYS 44 2HD LYS 44 -4.769 -5.089 5.267
327 HE2 LYS 44 1HE LYS 44 -6.315 -6.470 3.951
328 HE3 LYS 44 2HE LYS 44 -6.077 -4.898 3.180
329 HZ1 LYS 44 3HZ LYS 44 -4.778 -7.458 2.405
330 HZ2 LYS 44 1HZ LYS 44 -4.444 -5.956 1.706
331 HZ3 LYS 44 2HZ LYS 44 -5.982 -6.630 1.542
332 H GLU 45 H GLU 45 -4.146 -4.567 6.815
333 HA GLU 45 HA GLU 45 -3.399 -5.684 9.295
334 HB2 GLU 45 1HB GLU 45 -5.796 -6.324 9.499
335 HB3 GLU 45 2HB GLU 45 -5.566 -4.648 9.016
336 HG2 GLU 45 1HG GLU 45 -6.194 -5.137 6.732
337 HG3 GLU 45 2HG GLU 45 -6.221 -6.872 7.051
338 H ASP 46 H ASP 46 -2.830 -7.149 6.400
339 HA ASP 46 HA ASP 46 -3.350 -9.889 6.948
340 HB2 ASP 46 1HB ASP 46 -1.204 -8.577 5.220
341 HB3 ASP 46 2HB ASP 46 -1.471 -10.313 5.280
342 H GLY 47 H GLY 47 -1.162 -7.667 8.389
343 HA2 GLY 47 1HA GLY 47 0.030 -8.156 10.388
344 HA3 GLY 47 2HA GLY 47 0.148 -9.841 9.902
345 H LEU 48 H LEU 48 0.898 -8.622 7.113
346 HA LEU 48 HA LEU 48 3.788 -8.382 7.599
347 HB2 LEU 48 1HB LEU 48 2.244 -8.732 4.991
348 HB3 LEU 48 2HB LEU 48 3.997 -8.706 5.134
349 HG LEU 48 HG LEU 48 2.152 -10.845 6.289
350 HD11 LEU 48 1HD1 LEU 48 3.104 -12.337 4.578
351 HD12 LEU 48 2HD1 LEU 48 4.028 -10.995 3.898
352 HD13 LEU 48 3HD1 LEU 48 2.263 -10.970 3.846
353 HD21 LEU 48 3HD2 LEU 48 4.122 -10.579 7.704
354 HD22 LEU 48 1HD2 LEU 48 5.191 -10.714 6.305
355 HD23 LEU 48 2HD2 LEU 48 4.216 -12.098 6.817
356 H ARG 49 H ARG 49 4.968 -6.749 6.442
357 HA ARG 49 HA ARG 49 3.495 -4.327 5.596
358 HB2 ARG 49 1HB ARG 49 4.908 -4.030 7.686
359 HB3 ARG 49 2HB ARG 49 6.327 -4.481 6.747
360 HG2 ARG 49 1HG ARG 49 5.890 -2.484 5.267
361 HG3 ARG 49 2HG ARG 49 4.588 -2.013 6.360
362 HD2 ARG 49 1HD ARG 49 6.526 -0.721 6.926
363 HD3 ARG 49 2HD ARG 49 6.307 -1.904 8.218
364 HE ARG 49 HE ARG 49 8.400 -1.920 6.128
365 HH11 ARG 49 1HH1 ARG 49 7.185 -3.303 9.124
366 HH12 ARG 49 2HH1 ARG 49 8.679 -4.099 9.497
367 HH21 ARG 49 1HH2 ARG 49 10.349 -2.954 6.625
368 HH22 ARG 49 2HH2 ARG 49 10.472 -3.912 8.068
369 H GLY 50 H GLY 50 4.448 -3.253 3.727
370 HA2 GLY 50 1HA GLY 50 6.570 -4.645 2.250
371 HA3 GLY 50 2HA GLY 50 4.986 -4.548 1.478
372 H TRP 51 H TRP 51 7.371 -3.453 0.471
373 HA TRP 51 HA TRP 51 7.024 -0.549 0.572
374 HB2 TRP 51 1HB TRP 51 8.877 -0.741 -1.327
375 HB3 TRP 51 2HB TRP 51 9.319 -0.989 0.355
376 HD1 TRP 51 HD1 TRP 51 10.084 -3.446 1.089
377 HE1 TRP 51 HE1 TRP 51 10.796 -5.526 -0.243
378 HE3 TRP 51 HE3 TRP 51 8.400 -2.087 -3.565
379 HZ2 TRP 51 HZ2 TRP 51 10.662 -6.480 -2.882
380 HZ3 TRP 51 HZ3 TRP 51 8.728 -3.653 -5.441
381 HH2 TRP 51 HH2 TRP 51 9.837 -5.806 -5.098
382 H PHE 52 H PHE 52 5.889 0.573 -0.917
383 HA PHE 52 HA PHE 52 4.366 -0.977 -2.920
384 HB2 PHE 52 1HB PHE 52 3.588 1.435 -1.236
385 HB3 PHE 52 2HB PHE 52 2.662 0.972 -2.662
386 HD1 PHE 52 HD2 PHE 52 3.782 -0.205 0.693
387 HD2 PHE 52 HD1 PHE 52 1.128 -0.863 -2.593
388 HE1 PHE 52 HE2 PHE 52 2.582 -1.909 1.991
389 HE2 PHE 52 HE1 PHE 52 -0.064 -2.564 -1.282
390 HZ PHE 52 HZ PHE 52 0.665 -3.094 1.005
391 HA PRO 53 HA PRO 53 6.270 1.585 -6.086
392 HB2 PRO 53 1HB PRO 53 4.192 0.652 -7.969
393 HB3 PRO 53 2HB PRO 53 5.914 0.270 -7.941
394 HG2 PRO 53 1HG PRO 53 4.000 -1.571 -7.340
395 HG3 PRO 53 2HG PRO 53 5.617 -1.602 -6.602
396 HD2 PRO 53 1HD PRO 53 3.032 -0.527 -5.462
397 HD3 PRO 53 2HD PRO 53 4.275 -1.538 -4.684
398 H ALA 54 H ALA 54 5.996 3.703 -6.395
399 HA ALA 54 HA ALA 54 3.888 5.174 -5.312
400 HB1 ALA 54 3HB ALA 54 5.992 6.107 -7.296
401 HB2 ALA 54 1HB ALA 54 6.173 6.034 -5.541
402 HB3 ALA 54 2HB ALA 54 5.011 7.152 -6.258
403 H SER 55 H SER 55 4.595 4.471 -8.728
404 HA SER 55 HA SER 55 2.469 6.119 -9.772
405 HB2 SER 55 1HB SER 55 4.612 5.676 -11.016
406 HB3 SER 55 2HB SER 55 4.132 3.992 -11.212
407 HG SER 55 HG SER 55 2.199 4.895 -12.294
408 H TYR 56 H TYR 56 2.753 2.817 -8.697
409 HA TYR 56 HA TYR 56 0.443 1.809 -10.176
410 HB2 TYR 56 1HB TYR 56 2.487 0.411 -9.788
411 HB3 TYR 56 2HB TYR 56 2.169 0.435 -8.057
412 HD1 TYR 56 HD2 TYR 56 0.472 -0.473 -11.292
413 HD2 TYR 56 HD1 TYR 56 0.961 -1.393 -7.147
414 HE1 TYR 56 HE2 TYR 56 -0.955 -2.452 -11.564
415 HE2 TYR 56 HE1 TYR 56 -0.470 -3.371 -7.423
416 HH TYR 56 HH TYR 56 -2.187 -4.208 -8.891
417 H VAL 57 H VAL 57 1.093 3.263 -7.090
418 HA VAL 57 HA VAL 57 -1.652 2.631 -6.148
419 HB VAL 57 HB VAL 57 -0.968 3.318 -3.887
420 HG11 VAL 57 1HG1 VAL 57 0.548 1.440 -3.333
421 HG12 VAL 57 2HG1 VAL 57 0.961 1.261 -5.042
422 HG13 VAL 57 3HG1 VAL 57 -0.690 0.947 -4.494
423 HG21 VAL 57 3HG2 VAL 57 0.726 5.027 -4.432
424 HG22 VAL 57 1HG2 VAL 57 1.829 3.780 -5.016
425 HG23 VAL 57 2HG2 VAL 57 1.393 3.846 -3.304
426 H GLN 58 H GLN 58 -3.050 4.346 -5.622
427 HA GLN 58 HA GLN 58 -2.471 6.968 -6.780
428 HB2 GLN 58 1HB GLN 58 -4.693 5.901 -7.138
429 HB3 GLN 58 2HB GLN 58 -4.975 5.893 -5.406
430 HG2 GLN 58 1HG GLN 58 -4.839 8.410 -5.448
431 HG3 GLN 58 2HG GLN 58 -4.772 8.324 -7.207
432 HE21 GLN 58 2HE2 GLN 58 -6.640 7.602 -8.341
433 HE22 GLN 58 1HE2 GLN 58 -8.203 7.631 -7.607
434 H LEU 59 H LEU 59 -1.426 8.429 -5.544
435 HA LEU 59 HA LEU 59 -1.271 8.259 -2.673
436 HB2 LEU 59 1HB LEU 59 -0.311 10.454 -4.561
437 HB3 LEU 59 2HB LEU 59 0.132 10.292 -2.863
438 HG LEU 59 HG LEU 59 0.880 8.372 -5.111
439 HD11 LEU 59 1HD1 LEU 59 3.182 9.119 -4.704
440 HD12 LEU 59 2HD1 LEU 59 2.613 10.272 -3.495
441 HD13 LEU 59 3HD1 LEU 59 2.144 10.459 -5.188
442 HD21 LEU 59 3HD2 LEU 59 2.217 7.156 -3.432
443 HD22 LEU 59 1HD2 LEU 59 0.498 7.110 -3.046
444 HD23 LEU 59 2HD2 LEU 59 1.574 8.187 -2.153
445 H LEU 60 H LEU 60 -2.600 9.242 -1.229
446 HA LEU 60 HA LEU 60 -4.745 11.007 -2.116
447 HB2 LEU 60 1HB LEU 60 -4.066 9.909 0.643
448 HB3 LEU 60 2HB LEU 60 -5.475 10.903 0.292
449 HG LEU 60 HG LEU 60 -4.927 8.107 -0.802
450 HD11 LEU 60 1HD1 LEU 60 -5.584 8.064 1.538
451 HD12 LEU 60 2HD1 LEU 60 -6.870 7.419 0.527
452 HD13 LEU 60 3HD1 LEU 60 -7.010 9.049 1.195
453 HD21 LEU 60 3HD2 LEU 60 -6.099 9.427 -2.490
454 HD22 LEU 60 1HD2 LEU 60 -7.320 9.909 -1.306
455 HD23 LEU 60 2HD2 LEU 60 -7.179 8.219 -1.801
Start of MODEL 17
1 H1 MET 1 1H MET 1 6.327 15.091 8.982
2 H2 MET 1 2H MET 1 5.865 14.470 10.486
3 H3 MET 1 3H MET 1 4.697 15.036 9.408
4 HA MET 1 HA MET 1 5.177 13.317 7.861
5 HB2 MET 1 1HB MET 1 7.574 13.068 8.331
6 HB3 MET 1 2HB MET 1 7.231 12.455 9.943
7 HG2 MET 1 1HG MET 1 6.245 10.437 8.995
8 HG3 MET 1 2HG MET 1 6.469 11.067 7.362
9 HE1 MET 1 3HE MET 1 9.357 12.356 7.421
10 HE2 MET 1 1HE MET 1 8.814 11.262 6.148
11 HE3 MET 1 2HE MET 1 10.358 10.982 6.957
12 H SER 2 H SER 2 3.012 13.001 8.329
13 HA SER 2 HA SER 2 2.263 10.742 9.898
14 HB2 SER 2 1HB SER 2 2.464 12.427 11.753
15 HB3 SER 2 2HB SER 2 1.301 13.462 10.929
16 HG SER 2 HG SER 2 0.893 10.966 12.189
17 H GLY 3 H GLY 3 -0.130 10.385 9.794
18 HA2 GLY 3 1HA GLY 3 -2.149 10.285 8.703
19 HA3 GLY 3 2HA GLY 3 -1.817 11.864 8.005
20 H ALA 4 H ALA 4 0.361 9.151 7.610
21 HA ALA 4 HA ALA 4 0.384 9.486 4.748
22 HB1 ALA 4 3HB ALA 4 1.903 7.505 6.481
23 HB2 ALA 4 1HB ALA 4 2.465 9.113 6.015
24 HB3 ALA 4 2HB ALA 4 2.234 7.870 4.783
25 H ARG 5 H ARG 5 -1.688 8.871 4.122
26 HA ARG 5 HA ARG 5 -2.404 5.990 4.244
27 HB2 ARG 5 1HB ARG 5 -4.164 8.399 3.577
28 HB3 ARG 5 2HB ARG 5 -4.709 6.726 3.723
29 HG2 ARG 5 1HG ARG 5 -4.190 6.762 6.135
30 HG3 ARG 5 2HG ARG 5 -3.580 8.415 5.988
31 HD2 ARG 5 1HD ARG 5 -5.850 9.144 5.238
32 HD3 ARG 5 2HD ARG 5 -6.442 7.499 5.504
33 HE ARG 5 HE ARG 5 -5.395 8.120 7.919
34 HH11 ARG 5 1HH1 ARG 5 -7.652 9.884 5.874
35 HH12 ARG 5 2HH1 ARG 5 -8.443 10.652 7.211
36 HH21 ARG 5 1HH2 ARG 5 -6.437 9.155 9.660
37 HH22 ARG 5 2HH2 ARG 5 -7.748 10.247 9.351
38 H CYS 6 H CYS 6 -2.971 4.947 2.306
39 HA CYS 6 HA CYS 6 -3.236 6.356 -0.198
40 HB2 CYS 6 1HB CYS 6 -1.460 5.095 -1.388
41 HB3 CYS 6 2HB CYS 6 -0.771 6.095 -0.111
42 HG CYS 6 HG CYS 6 -1.243 3.375 1.410
43 H ARG 7 H ARG 7 -4.532 5.200 -1.598
44 HA ARG 7 HA ARG 7 -5.395 2.479 -0.774
45 HB2 ARG 7 1HB ARG 7 -7.154 4.307 -0.740
46 HB3 ARG 7 2HB ARG 7 -6.941 4.485 -2.482
47 HG2 ARG 7 1HG ARG 7 -7.543 1.985 -2.653
48 HG3 ARG 7 2HG ARG 7 -8.033 2.091 -0.961
49 HD2 ARG 7 1HD ARG 7 -9.995 2.339 -2.324
50 HD3 ARG 7 2HD ARG 7 -9.641 3.921 -1.619
51 HE ARG 7 HE ARG 7 -8.824 3.199 -4.380
52 HH11 ARG 7 1HH1 ARG 7 -10.435 5.458 -2.215
53 HH12 ARG 7 2HH1 ARG 7 -10.779 6.577 -3.491
54 HH21 ARG 7 1HH2 ARG 7 -9.261 4.694 -5.999
55 HH22 ARG 7 2HH2 ARG 7 -10.123 6.147 -5.615
56 H THR 8 H THR 8 -5.052 0.842 -2.198
57 HA THR 8 HA THR 8 -3.418 1.223 -4.477
58 HB THR 8 HB THR 8 -3.814 -1.254 -4.856
59 HG1 THR 8 HG1 THR 8 -5.092 -2.338 -3.343
60 HG21 THR 8 3HG2 THR 8 -2.714 -1.992 -2.768
61 HG22 THR 8 1HG2 THR 8 -3.102 -0.448 -2.005
62 HG23 THR 8 2HG2 THR 8 -1.982 -0.505 -3.370
63 H LEU 9 H LEU 9 -3.854 1.203 -6.622
64 HA LEU 9 HA LEU 9 -6.624 1.665 -7.509
65 HB2 LEU 9 1HB LEU 9 -3.951 2.193 -8.884
66 HB3 LEU 9 2HB LEU 9 -5.530 2.630 -9.535
67 HG LEU 9 HG LEU 9 -4.329 3.754 -6.967
68 HD11 LEU 9 1HD1 LEU 9 -3.091 4.530 -8.920
69 HD12 LEU 9 2HD1 LEU 9 -4.021 5.843 -8.205
70 HD13 LEU 9 3HD1 LEU 9 -4.585 5.071 -9.691
71 HD21 LEU 9 3HD2 LEU 9 -6.771 3.681 -6.862
72 HD22 LEU 9 1HD2 LEU 9 -6.899 4.503 -8.420
73 HD23 LEU 9 2HD2 LEU 9 -6.224 5.348 -7.022
74 H TYR 10 H TYR 10 -4.046 -0.622 -7.661
75 HA TYR 10 HA TYR 10 -5.478 -2.300 -9.633
76 HB2 TYR 10 1HB TYR 10 -2.460 -1.821 -9.497
77 HB3 TYR 10 2HB TYR 10 -3.238 -3.007 -10.539
78 HD1 TYR 10 HD1 TYR 10 -4.818 -2.175 -12.385
79 HD2 TYR 10 HD2 TYR 10 -2.257 0.473 -10.204
80 HE1 TYR 10 HE1 TYR 10 -5.085 -0.466 -14.135
81 HE2 TYR 10 HE2 TYR 10 -2.526 2.169 -11.960
82 HH TYR 10 HH TYR 10 -3.095 2.286 -14.319
83 HA PRO 11 HA PRO 11 -4.576 -5.510 -6.516
84 HB2 PRO 11 1HB PRO 11 -4.955 -7.768 -7.997
85 HB3 PRO 11 2HB PRO 11 -6.309 -6.757 -7.464
86 HG2 PRO 11 1HG PRO 11 -4.933 -6.825 -10.146
87 HG3 PRO 11 2HG PRO 11 -6.672 -6.760 -9.790
88 HD2 PRO 11 1HD PRO 11 -5.216 -4.538 -10.467
89 HD3 PRO 11 2HD PRO 11 -6.640 -4.462 -9.406
90 H PHE 12 H PHE 12 -3.003 -7.256 -6.175
91 HA PHE 12 HA PHE 12 -0.444 -6.749 -7.501
92 HB2 PHE 12 1HB PHE 12 -0.497 -6.632 -5.013
93 HB3 PHE 12 2HB PHE 12 -1.069 -8.297 -4.930
94 HD1 PHE 12 HD1 PHE 12 1.768 -6.335 -6.459
95 HD2 PHE 12 HD2 PHE 12 0.577 -9.936 -4.476
96 HE1 PHE 12 HE1 PHE 12 4.105 -7.101 -6.429
97 HE2 PHE 12 HE2 PHE 12 2.920 -10.688 -4.454
98 HZ PHE 12 HZ PHE 12 4.684 -9.273 -5.426
99 H SER 13 H SER 13 -0.402 -7.933 -9.354
100 HA SER 13 HA SER 13 -1.352 -10.601 -9.671
101 HB2 SER 13 1HB SER 13 0.010 -10.509 -11.813
102 HB3 SER 13 2HB SER 13 -1.129 -9.177 -11.628
103 HG SER 13 HG SER 13 1.679 -9.131 -11.204
104 H GLY 14 H GLY 14 -0.445 -12.377 -8.835
105 HA2 GLY 14 1HA GLY 14 2.287 -13.076 -8.975
106 HA3 GLY 14 2HA GLY 14 1.923 -12.498 -7.350
107 H GLU 15 H GLU 15 2.752 -14.896 -7.232
108 HA GLU 15 HA GLU 15 0.677 -16.918 -7.587
109 HB2 GLU 15 1HB GLU 15 3.228 -17.285 -7.925
110 HB3 GLU 15 2HB GLU 15 3.372 -17.249 -6.168
111 HG2 GLU 15 1HG GLU 15 1.823 -19.192 -6.034
112 HG3 GLU 15 2HG GLU 15 1.734 -19.227 -7.792
113 H ARG 16 H ARG 16 0.210 -18.377 -5.613
114 HA ARG 16 HA ARG 16 -1.096 -16.996 -3.570
115 HB2 ARG 16 1HB ARG 16 -0.075 -19.869 -3.508
116 HB3 ARG 16 2HB ARG 16 -1.311 -19.197 -2.445
117 HG2 ARG 16 1HG ARG 16 -2.803 -18.853 -4.373
118 HG3 ARG 16 2HG ARG 16 -1.562 -19.480 -5.464
119 HD2 ARG 16 1HD ARG 16 -3.285 -21.188 -4.943
120 HD3 ARG 16 2HD ARG 16 -1.682 -21.674 -4.390
121 HE ARG 16 HE ARG 16 -2.328 -21.226 -2.141
122 HH11 ARG 16 1HH1 ARG 16 -5.048 -21.090 -4.368
123 HH12 ARG 16 2HH1 ARG 16 -6.225 -21.247 -3.106
124 HH21 ARG 16 1HH2 ARG 16 -3.892 -21.466 -0.527
125 HH22 ARG 16 2HH2 ARG 16 -5.576 -21.480 -0.942
126 H HIS 17 H HIS 17 1.887 -18.961 -3.217
127 HA HIS 17 HA HIS 17 3.861 -18.646 -2.194
128 HB2 HIS 17 1HB HIS 17 3.680 -16.383 -3.304
129 HB3 HIS 17 2HB HIS 17 3.005 -15.745 -1.815
130 HD2 HIS 17 HD2 HIS 17 4.850 -14.720 -0.124
131 HE1 HIS 17 HE1 HIS 17 8.250 -16.563 -1.837
132 HE2 HIS 17 HE2 HIS 17 7.408 -15.109 0.056
133 H GLY 18 H GLY 18 4.919 -17.962 -0.005
134 HA2 GLY 18 1HA GLY 18 3.443 -19.056 2.171
135 HA3 GLY 18 2HA GLY 18 5.035 -18.323 2.255
136 H GLN 19 H GLN 19 5.002 -15.826 2.008
137 HA GLN 19 HA GLN 19 2.690 -14.486 3.156
138 HB2 GLN 19 1HB GLN 19 3.798 -15.468 5.142
139 HB3 GLN 19 2HB GLN 19 5.312 -14.684 4.712
140 HG2 GLN 19 1HG GLN 19 4.307 -12.487 5.109
141 HG3 GLN 19 2HG GLN 19 2.750 -13.233 5.464
142 HE21 GLN 19 2HE2 GLN 19 2.497 -14.382 7.426
143 HE22 GLN 19 1HE2 GLN 19 3.573 -14.157 8.758
144 H GLY 20 H GLY 20 2.746 -12.254 2.955
145 HA2 GLY 20 1HA GLY 20 4.859 -10.518 2.544
146 HA3 GLY 20 2HA GLY 20 4.402 -11.090 0.941
147 H LEU 21 H LEU 21 4.030 -8.526 1.004
148 HA LEU 21 HA LEU 21 1.314 -7.910 1.918
149 HB2 LEU 21 1HB LEU 21 2.997 -6.167 2.234
150 HB3 LEU 21 2HB LEU 21 3.360 -6.153 0.514
151 HG LEU 21 HG LEU 21 1.134 -5.245 -0.001
152 HD11 LEU 21 1HD1 LEU 21 0.556 -5.359 2.971
153 HD12 LEU 21 2HD1 LEU 21 -0.210 -6.321 1.706
154 HD13 LEU 21 3HD1 LEU 21 -0.459 -4.580 1.754
155 HD21 LEU 21 3HD2 LEU 21 2.921 -3.629 0.508
156 HD22 LEU 21 1HD2 LEU 21 2.473 -3.649 2.218
157 HD23 LEU 21 2HD2 LEU 21 1.350 -3.011 1.011
158 H ARG 22 H ARG 22 -0.276 -8.497 0.744
159 HA ARG 22 HA ARG 22 -0.261 -8.340 -2.209
160 HB2 ARG 22 1HB ARG 22 -1.683 -10.391 -0.430
161 HB3 ARG 22 2HB ARG 22 -1.963 -10.219 -2.166
162 HG2 ARG 22 1HG ARG 22 0.344 -10.867 -2.638
163 HG3 ARG 22 2HG ARG 22 0.710 -10.935 -0.912
164 HD2 ARG 22 1HD ARG 22 0.370 -13.179 -1.834
165 HD3 ARG 22 2HD ARG 22 -0.873 -12.797 -0.638
166 HE ARG 22 HE ARG 22 -1.793 -12.155 -3.243
167 HH11 ARG 22 1HH1 ARG 22 -1.146 -14.958 -1.223
168 HH12 ARG 22 2HH1 ARG 22 -2.319 -15.954 -2.017
169 HH21 ARG 22 1HH2 ARG 22 -3.349 -13.457 -4.258
170 HH22 ARG 22 2HH2 ARG 22 -3.573 -15.097 -3.745
171 H PHE 23 H PHE 23 -2.283 -7.684 -3.104
172 HA PHE 23 HA PHE 23 -4.379 -6.621 -1.425
173 HB2 PHE 23 1HB PHE 23 -4.048 -4.246 -2.366
174 HB3 PHE 23 2HB PHE 23 -2.914 -4.765 -1.129
175 HD1 PHE 23 HD2 PHE 23 -3.268 -4.192 -4.817
176 HD2 PHE 23 HD1 PHE 23 -0.550 -4.828 -1.569
177 HE1 PHE 23 HE2 PHE 23 -1.377 -3.561 -6.261
178 HE2 PHE 23 HE1 PHE 23 1.327 -4.190 -3.027
179 HZ PHE 23 HZ PHE 23 0.917 -3.554 -5.368
180 H ALA 24 H ALA 24 -6.230 -6.137 -2.529
181 HA ALA 24 HA ALA 24 -6.429 -6.587 -5.424
182 HB1 ALA 24 3HB ALA 24 -8.112 -7.663 -3.971
183 HB2 ALA 24 1HB ALA 24 -8.871 -6.474 -5.029
184 HB3 ALA 24 2HB ALA 24 -8.584 -6.090 -3.328
185 H ALA 25 H ALA 25 -7.781 -4.879 -6.647
186 HA ALA 25 HA ALA 25 -6.854 -2.212 -6.266
187 HB1 ALA 25 3HB ALA 25 -7.570 -3.055 -8.474
188 HB2 ALA 25 1HB ALA 25 -8.479 -1.608 -8.031
189 HB3 ALA 25 2HB ALA 25 -9.230 -3.201 -7.894
190 H GLY 26 H GLY 26 -7.394 -1.029 -4.504
191 HA2 GLY 26 1HA GLY 26 -9.097 0.508 -3.667
192 HA3 GLY 26 2HA GLY 26 -10.260 -0.806 -3.711
193 H GLU 27 H GLU 27 -7.057 -1.515 -2.489
194 HA GLU 27 HA GLU 27 -8.148 -1.903 0.215
195 HB2 GLU 27 1HB GLU 27 -5.362 -2.634 -0.793
196 HB3 GLU 27 2HB GLU 27 -6.133 -3.180 0.698
197 HG2 GLU 27 1HG GLU 27 -6.870 -3.921 -2.141
198 HG3 GLU 27 2HG GLU 27 -6.150 -4.963 -0.921
199 H LEU 28 H LEU 28 -7.538 -0.763 1.992
200 HA LEU 28 HA LEU 28 -6.124 1.760 1.629
201 HB2 LEU 28 1HB LEU 28 -7.472 0.574 4.096
202 HB3 LEU 28 2HB LEU 28 -6.859 2.221 3.962
203 HG LEU 28 HG LEU 28 -9.144 1.062 2.302
204 HD11 LEU 28 1HD1 LEU 28 -9.791 1.309 4.641
205 HD12 LEU 28 2HD1 LEU 28 -10.637 2.469 3.622
206 HD13 LEU 28 3HD1 LEU 28 -9.286 3.001 4.629
207 HD21 LEU 28 3HD2 LEU 28 -9.538 3.365 1.529
208 HD22 LEU 28 1HD2 LEU 28 -7.933 2.804 1.068
209 HD23 LEU 28 2HD2 LEU 28 -8.118 3.925 2.418
210 H ILE 29 H ILE 29 -3.974 1.470 1.506
211 HA ILE 29 HA ILE 29 -2.455 -0.214 3.361
212 HB ILE 29 HB ILE 29 -1.494 1.516 1.019
213 HG12 ILE 29 1HG1 ILE 29 -2.935 -0.337 0.234
214 HG13 ILE 29 2HG1 ILE 29 -1.267 -0.597 -0.258
215 HG21 ILE 29 1HG2 ILE 29 0.316 1.191 2.646
216 HG22 ILE 29 2HG2 ILE 29 0.649 0.262 1.185
217 HG23 ILE 29 3HG2 ILE 29 0.056 -0.556 2.634
218 HD11 ILE 29 3HD1 ILE 29 -1.010 -2.237 1.558
219 HD12 ILE 29 1HD1 ILE 29 -2.303 -2.661 0.434
220 HD13 ILE 29 2HD1 ILE 29 -2.698 -1.978 2.009
221 H THR 30 H THR 30 -1.691 0.603 5.197
222 HA THR 30 HA THR 30 -1.493 3.462 5.755
223 HB THR 30 HB THR 30 -0.814 1.074 7.550
224 HG1 THR 30 HG1 THR 30 -2.967 0.911 7.043
225 HG21 THR 30 3HG2 THR 30 -1.126 2.657 9.419
226 HG22 THR 30 1HG2 THR 30 -1.454 3.964 8.279
227 HG23 THR 30 2HG2 THR 30 0.149 3.226 8.340
228 H LEU 31 H LEU 31 0.326 4.402 4.886
229 HA LEU 31 HA LEU 31 2.779 3.006 4.374
230 HB2 LEU 31 1HB LEU 31 2.158 5.983 4.346
231 HB3 LEU 31 2HB LEU 31 3.680 5.287 3.810
232 HG LEU 31 HG LEU 31 0.962 4.752 2.521
233 HD11 LEU 31 1HD1 LEU 31 1.696 7.059 2.144
234 HD12 LEU 31 2HD1 LEU 31 1.773 6.124 0.652
235 HD13 LEU 31 3HD1 LEU 31 3.257 6.488 1.539
236 HD21 LEU 31 3HD2 LEU 31 2.455 2.818 2.276
237 HD22 LEU 31 1HD2 LEU 31 3.746 3.853 1.658
238 HD23 LEU 31 2HD2 LEU 31 2.261 3.633 0.728
239 H LEU 32 H LEU 32 4.126 2.378 5.938
240 HA LEU 32 HA LEU 32 4.140 3.560 8.589
241 HB2 LEU 32 1HB LEU 32 5.882 1.363 7.383
242 HB3 LEU 32 2HB LEU 32 5.780 1.768 9.094
243 HG LEU 32 HG LEU 32 3.512 0.620 7.405
244 HD11 LEU 32 1HD1 LEU 32 5.207 -0.733 9.534
245 HD12 LEU 32 2HD1 LEU 32 5.273 -1.027 7.793
246 HD13 LEU 32 3HD1 LEU 32 3.820 -1.441 8.696
247 HD21 LEU 32 3HD2 LEU 32 3.576 1.243 10.385
248 HD22 LEU 32 1HD2 LEU 32 2.281 0.383 9.542
249 HD23 LEU 32 2HD2 LEU 32 2.613 2.069 9.156
250 H GLN 33 H GLN 33 6.552 3.008 5.997
251 HA GLN 33 HA GLN 33 8.214 5.235 7.034
252 HB2 GLN 33 1HB GLN 33 9.011 2.928 5.201
253 HB3 GLN 33 2HB GLN 33 10.083 4.204 5.781
254 HG2 GLN 33 1HG GLN 33 9.777 3.398 8.097
255 HG3 GLN 33 2HG GLN 33 8.706 2.123 7.514
256 HE21 GLN 33 2HE2 GLN 33 9.597 0.382 6.366
257 HE22 GLN 33 1HE2 GLN 33 11.285 0.027 6.399
258 H VAL 34 H VAL 34 8.547 6.969 5.749
259 HA VAL 34 HA VAL 34 7.845 6.868 2.898
260 HB VAL 34 HB VAL 34 6.834 9.252 3.158
261 HG11 VAL 34 1HG1 VAL 34 5.468 7.302 2.528
262 HG12 VAL 34 2HG1 VAL 34 4.559 8.377 3.590
263 HG13 VAL 34 3HG1 VAL 34 5.246 6.879 4.229
264 HG21 VAL 34 3HG2 VAL 34 6.494 8.340 6.047
265 HG22 VAL 34 1HG2 VAL 34 5.750 9.771 5.323
266 HG23 VAL 34 2HG2 VAL 34 7.504 9.678 5.500
267 HA PRO 35 HA PRO 35 11.932 9.003 3.127
268 HB2 PRO 35 1HB PRO 35 13.124 7.566 1.142
269 HB3 PRO 35 2HB PRO 35 13.084 6.991 2.816
270 HG2 PRO 35 1HG PRO 35 11.307 6.219 0.500
271 HG3 PRO 35 2HG PRO 35 12.078 5.171 1.710
272 HD2 PRO 35 1HD PRO 35 9.455 5.945 1.887
273 HD3 PRO 35 2HD PRO 35 10.453 5.610 3.318
274 H ASP 36 H ASP 36 12.862 10.328 1.394
275 HA ASP 36 HA ASP 36 10.841 11.611 -0.192
276 HB2 ASP 36 1HB ASP 36 12.664 12.896 0.928
277 HB3 ASP 36 2HB ASP 36 13.855 12.121 -0.116
278 H GLY 37 H GLY 37 10.125 10.374 -1.856
279 HA2 GLY 37 1HA GLY 37 11.429 10.266 -4.315
280 HA3 GLY 37 2HA GLY 37 11.677 8.694 -3.547
281 H GLY 38 H GLY 38 10.393 7.788 -5.284
282 HA2 GLY 38 1HA GLY 38 7.459 8.151 -5.007
283 HA3 GLY 38 2HA GLY 38 8.296 7.313 -6.307
284 H TRP 39 H TRP 39 10.017 6.104 -4.026
285 HA TRP 39 HA TRP 39 8.404 3.683 -3.683
286 HB2 TRP 39 1HB TRP 39 11.351 4.249 -3.090
287 HB3 TRP 39 2HB TRP 39 10.575 2.673 -2.949
288 HD1 TRP 39 HD1 TRP 39 11.395 5.307 -5.709
289 HE1 TRP 39 HE1 TRP 39 11.775 4.044 -7.916
290 HE3 TRP 39 HE3 TRP 39 10.294 0.549 -4.149
291 HZ2 TRP 39 HZ2 TRP 39 11.639 1.408 -8.881
292 HZ3 TRP 39 HZ3 TRP 39 10.455 -1.290 -5.782
293 HH2 TRP 39 HH2 TRP 39 11.115 -0.868 -8.102
294 H TRP 40 H TRP 40 7.267 3.448 -1.827
295 HA TRP 40 HA TRP 40 8.371 4.430 0.741
296 HB2 TRP 40 1HB TRP 40 5.432 4.590 -0.098
297 HB3 TRP 40 2HB TRP 40 6.088 5.077 1.467
298 HD1 TRP 40 HD1 TRP 40 8.140 7.130 1.126
299 HE1 TRP 40 HE1 TRP 40 7.912 9.268 -0.266
300 HE3 TRP 40 HE3 TRP 40 4.372 5.655 -1.985
301 HZ2 TRP 40 HZ2 TRP 40 6.353 10.215 -2.407
302 HZ3 TRP 40 HZ3 TRP 40 3.575 7.240 -3.682
303 HH2 TRP 40 HH2 TRP 40 4.544 9.473 -3.893
304 H GLU 41 H GLU 41 7.727 3.224 2.560
305 HA GLU 41 HA GLU 41 6.980 0.419 1.986
306 HB2 GLU 41 1HB GLU 41 9.211 0.984 3.112
307 HB3 GLU 41 2HB GLU 41 8.295 1.554 4.499
308 HG2 GLU 41 1HG GLU 41 8.080 -1.285 3.437
309 HG3 GLU 41 2HG GLU 41 9.300 -0.802 4.613
310 H GLY 42 H GLY 42 5.138 -0.369 2.826
311 HA2 GLY 42 1HA GLY 42 3.647 1.001 4.932
312 HA3 GLY 42 2HA GLY 42 2.905 0.984 3.336
313 H GLU 43 H GLU 43 2.051 -0.260 5.858
314 HA GLU 43 HA GLU 43 1.914 -3.090 5.022
315 HB2 GLU 43 1HB GLU 43 1.098 -3.597 7.242
316 HB3 GLU 43 2HB GLU 43 2.530 -2.593 7.416
317 HG2 GLU 43 1HG GLU 43 1.200 -0.654 8.004
318 HG3 GLU 43 2HG GLU 43 -0.294 -1.489 7.597
319 H LYS 44 H LYS 44 -0.071 -4.037 4.563
320 HA LYS 44 HA LYS 44 -2.497 -2.468 4.474
321 HB2 LYS 44 1HB LYS 44 -2.007 -4.535 3.010
322 HB3 LYS 44 2HB LYS 44 -2.259 -5.518 4.449
323 HG2 LYS 44 1HG LYS 44 -4.570 -4.630 4.619
324 HG3 LYS 44 2HG LYS 44 -4.292 -3.671 3.159
325 HD2 LYS 44 1HD LYS 44 -4.003 -5.737 1.838
326 HD3 LYS 44 2HD LYS 44 -4.211 -6.715 3.301
327 HE2 LYS 44 1HE LYS 44 -6.506 -5.776 3.562
328 HE3 LYS 44 2HE LYS 44 -6.296 -4.882 2.055
329 HZ1 LYS 44 3HZ LYS 44 -7.520 -6.863 1.664
330 HZ2 LYS 44 1HZ LYS 44 -6.331 -7.822 2.387
331 HZ3 LYS 44 2HZ LYS 44 -6.003 -7.024 0.938
332 H GLU 45 H GLU 45 -4.303 -2.978 5.987
333 HA GLU 45 HA GLU 45 -3.319 -2.665 8.661
334 HB2 GLU 45 1HB GLU 45 -6.188 -2.769 7.659
335 HB3 GLU 45 2HB GLU 45 -5.651 -2.140 9.220
336 HG2 GLU 45 1HG GLU 45 -4.350 -0.383 8.037
337 HG3 GLU 45 2HG GLU 45 -4.947 -0.990 6.493
338 H ASP 46 H ASP 46 -3.467 -5.469 7.198
339 HA ASP 46 HA ASP 46 -4.462 -7.093 9.425
340 HB2 ASP 46 1HB ASP 46 -3.182 -7.931 6.774
341 HB3 ASP 46 2HB ASP 46 -3.965 -9.000 7.937
342 H GLY 47 H GLY 47 -1.689 -5.385 8.782
343 HA2 GLY 47 1HA GLY 47 0.255 -5.374 10.068
344 HA3 GLY 47 2HA GLY 47 -0.057 -7.023 10.577
345 H LEU 48 H LEU 48 -0.414 -6.826 7.252
346 HA LEU 48 HA LEU 48 2.186 -8.111 6.756
347 HB2 LEU 48 1HB LEU 48 -0.242 -7.743 4.945
348 HB3 LEU 48 2HB LEU 48 1.194 -8.686 4.550
349 HG LEU 48 HG LEU 48 -0.764 -9.314 6.803
350 HD11 LEU 48 1HD1 LEU 48 -1.469 -11.231 5.443
351 HD12 LEU 48 2HD1 LEU 48 -0.409 -10.711 4.130
352 HD13 LEU 48 3HD1 LEU 48 -1.775 -9.704 4.619
353 HD21 LEU 48 3HD2 LEU 48 1.647 -10.910 5.858
354 HD22 LEU 48 1HD2 LEU 48 0.473 -11.433 7.072
355 HD23 LEU 48 2HD2 LEU 48 1.501 -10.038 7.386
356 H ARG 49 H ARG 49 3.850 -6.826 6.090
357 HA ARG 49 HA ARG 49 3.235 -4.251 4.748
358 HB2 ARG 49 1HB ARG 49 4.944 -3.157 5.964
359 HB3 ARG 49 2HB ARG 49 4.075 -4.104 7.160
360 HG2 ARG 49 1HG ARG 49 5.874 -5.762 7.202
361 HG3 ARG 49 2HG ARG 49 6.720 -4.909 5.907
362 HD2 ARG 49 1HD ARG 49 6.795 -2.874 7.451
363 HD3 ARG 49 2HD ARG 49 6.238 -3.941 8.746
364 HE ARG 49 HE ARG 49 8.318 -5.304 8.217
365 HH11 ARG 49 1HH1 ARG 49 8.238 -1.822 7.655
366 HH12 ARG 49 2HH1 ARG 49 9.947 -1.641 7.893
367 HH21 ARG 49 1HH2 ARG 49 10.540 -5.041 8.490
368 HH22 ARG 49 2HH2 ARG 49 11.252 -3.462 8.378
369 H GLY 50 H GLY 50 5.072 -3.323 3.503
370 HA2 GLY 50 1HA GLY 50 7.231 -4.809 2.492
371 HA3 GLY 50 2HA GLY 50 5.858 -5.062 1.419
372 H TRP 51 H TRP 51 8.001 -3.967 0.328
373 HA TRP 51 HA TRP 51 7.728 -1.033 0.267
374 HB2 TRP 51 1HB TRP 51 9.835 -2.981 -0.742
375 HB3 TRP 51 2HB TRP 51 9.761 -1.353 -1.407
376 HD1 TRP 51 HD1 TRP 51 10.819 -3.230 1.735
377 HE1 TRP 51 HE1 TRP 51 12.036 -1.585 3.289
378 HE3 TRP 51 HE3 TRP 51 9.782 1.120 -0.736
379 HZ2 TRP 51 HZ2 TRP 51 12.492 1.195 3.461
380 HZ3 TRP 51 HZ3 TRP 51 10.649 3.242 0.189
381 HH2 TRP 51 HH2 TRP 51 11.976 3.274 2.246
382 H PHE 52 H PHE 52 6.614 -0.042 -1.279
383 HA PHE 52 HA PHE 52 6.465 -1.093 -3.996
384 HB2 PHE 52 1HB PHE 52 3.959 -0.551 -2.320
385 HB3 PHE 52 2HB PHE 52 3.923 -0.559 -4.078
386 HD1 PHE 52 HD1 PHE 52 4.483 -2.692 -5.328
387 HD2 PHE 52 HD2 PHE 52 3.910 -2.628 -1.088
388 HE1 PHE 52 HE1 PHE 52 4.200 -5.136 -5.320
389 HE2 PHE 52 HE2 PHE 52 3.628 -5.071 -1.094
390 HZ PHE 52 HZ PHE 52 3.774 -6.327 -3.206
391 HA PRO 53 HA PRO 53 6.739 3.353 -4.766
392 HB2 PRO 53 1HB PRO 53 6.106 2.970 -7.602
393 HB3 PRO 53 2HB PRO 53 7.675 3.290 -6.859
394 HG2 PRO 53 1HG PRO 53 7.009 0.897 -8.063
395 HG3 PRO 53 2HG PRO 53 8.258 1.063 -6.812
396 HD2 PRO 53 1HD PRO 53 5.396 0.136 -6.530
397 HD3 PRO 53 2HD PRO 53 6.873 -0.517 -5.782
398 H ALA 54 H ALA 54 5.416 5.069 -5.927
399 HA ALA 54 HA ALA 54 2.738 5.175 -5.106
400 HB1 ALA 54 3HB ALA 54 2.566 7.240 -6.442
401 HB2 ALA 54 1HB ALA 54 4.065 6.830 -7.289
402 HB3 ALA 54 2HB ALA 54 4.095 7.199 -5.567
403 H SER 55 H SER 55 4.129 3.728 -7.902
404 HA SER 55 HA SER 55 2.291 3.967 -9.940
405 HB2 SER 55 1HB SER 55 3.944 1.483 -9.323
406 HB3 SER 55 2HB SER 55 3.370 2.012 -10.915
407 HG SER 55 HG SER 55 4.652 3.998 -10.426
408 H TYR 56 H TYR 56 2.101 1.801 -7.134
409 HA TYR 56 HA TYR 56 -0.184 0.317 -8.275
410 HB2 TYR 56 1HB TYR 56 1.518 -0.174 -5.788
411 HB3 TYR 56 2HB TYR 56 0.129 -1.167 -6.233
412 HD1 TYR 56 HD2 TYR 56 0.224 -2.655 -8.224
413 HD2 TYR 56 HD1 TYR 56 3.630 -0.347 -7.049
414 HE1 TYR 56 HE2 TYR 56 1.647 -4.014 -9.694
415 HE2 TYR 56 HE1 TYR 56 5.056 -1.708 -8.526
416 HH TYR 56 HH TYR 56 3.832 -3.721 -10.918
417 H VAL 57 H VAL 57 0.362 2.959 -6.165
418 HA VAL 57 HA VAL 57 -2.233 2.576 -4.777
419 HB VAL 57 HB VAL 57 -1.316 3.751 -2.807
420 HG11 VAL 57 1HG1 VAL 57 0.362 1.326 -3.572
421 HG12 VAL 57 2HG1 VAL 57 -1.227 1.294 -2.806
422 HG13 VAL 57 3HG1 VAL 57 0.155 1.958 -1.934
423 HG21 VAL 57 3HG2 VAL 57 1.369 3.715 -4.258
424 HG22 VAL 57 1HG2 VAL 57 1.128 4.203 -2.575
425 HG23 VAL 57 2HG2 VAL 57 0.409 5.146 -3.880
426 H GLN 58 H GLN 58 -3.008 4.679 -3.794
427 HA GLN 58 HA GLN 58 -2.514 7.089 -5.437
428 HB2 GLN 58 1HB GLN 58 -4.671 6.159 -6.165
429 HB3 GLN 58 2HB GLN 58 -5.220 6.005 -4.505
430 HG2 GLN 58 1HG GLN 58 -6.269 7.915 -5.676
431 HG3 GLN 58 2HG GLN 58 -5.337 8.427 -4.268
432 HE21 GLN 58 2HE2 GLN 58 -3.523 9.733 -4.554
433 HE22 GLN 58 1HE2 GLN 58 -3.103 10.449 -6.070
434 H LEU 59 H LEU 59 -1.673 8.549 -4.104
435 HA LEU 59 HA LEU 59 -1.582 8.343 -1.290
436 HB2 LEU 59 1HB LEU 59 -1.043 10.787 -3.029
437 HB3 LEU 59 2HB LEU 59 -0.528 10.578 -1.356
438 HG LEU 59 HG LEU 59 0.447 8.956 -3.750
439 HD11 LEU 59 1HD1 LEU 59 1.353 11.225 -3.697
440 HD12 LEU 59 2HD1 LEU 59 2.603 10.034 -3.364
441 HD13 LEU 59 3HD1 LEU 59 1.921 10.985 -2.041
442 HD21 LEU 59 3HD2 LEU 59 0.332 7.510 -1.771
443 HD22 LEU 59 1HD2 LEU 59 1.251 8.682 -0.823
444 HD23 LEU 59 2HD2 LEU 59 2.004 7.849 -2.184
445 H LEU 60 H LEU 60 -2.944 9.004 0.241
446 HA LEU 60 HA LEU 60 -5.384 10.507 -0.500
447 HB2 LEU 60 1HB LEU 60 -4.940 8.567 1.807
448 HB3 LEU 60 2HB LEU 60 -6.456 9.362 1.411
449 HG LEU 60 HG LEU 60 -5.034 7.275 -0.295
450 HD11 LEU 60 1HD1 LEU 60 -5.985 6.276 1.708
451 HD12 LEU 60 2HD1 LEU 60 -6.895 5.783 0.285
452 HD13 LEU 60 3HD1 LEU 60 -7.559 7.007 1.371
453 HD21 LEU 60 3HD2 LEU 60 -7.717 8.620 -0.782
454 HD22 LEU 60 1HD2 LEU 60 -7.044 7.287 -1.724
455 HD23 LEU 60 2HD2 LEU 60 -6.242 8.854 -1.723
Start of MODEL 18
1 H1 MET 1 1H MET 1 3.952 4.416 10.187
2 H2 MET 1 2H MET 1 4.745 4.081 11.638
3 H3 MET 1 3H MET 1 3.486 5.203 11.602
4 HA MET 1 HA MET 1 3.245 2.307 11.074
5 HB2 MET 1 1HB MET 1 3.661 2.859 13.456
6 HB3 MET 1 2HB MET 1 2.319 3.991 13.443
7 HG2 MET 1 1HG MET 1 1.881 1.067 12.852
8 HG3 MET 1 2HG MET 1 1.974 1.660 14.507
9 HE1 MET 1 3HE MET 1 -1.156 3.942 14.818
10 HE2 MET 1 1HE MET 1 0.502 4.447 14.501
11 HE3 MET 1 2HE MET 1 0.180 3.161 15.667
12 H SER 2 H SER 2 1.532 5.388 11.569
13 HA SER 2 HA SER 2 -0.538 4.630 9.610
14 HB2 SER 2 1HB SER 2 -2.254 5.634 11.140
15 HB3 SER 2 2HB SER 2 -1.460 4.238 11.867
16 HG SER 2 HG SER 2 -1.686 6.592 12.922
17 H GLY 3 H GLY 3 -2.031 6.984 9.718
18 HA2 GLY 3 1HA GLY 3 -1.999 9.316 9.519
19 HA3 GLY 3 2HA GLY 3 -0.240 9.301 9.503
20 H ALA 4 H ALA 4 0.558 7.834 7.524
21 HA ALA 4 HA ALA 4 -0.209 9.261 5.150
22 HB1 ALA 4 3HB ALA 4 1.740 6.958 5.508
23 HB2 ALA 4 1HB ALA 4 2.138 8.676 5.603
24 HB3 ALA 4 2HB ALA 4 1.595 7.980 4.075
25 H ARG 5 H ARG 5 -2.317 8.721 4.739
26 HA ARG 5 HA ARG 5 -3.275 6.000 4.398
27 HB2 ARG 5 1HB ARG 5 -4.750 7.815 5.275
28 HB3 ARG 5 2HB ARG 5 -4.547 8.705 3.769
29 HG2 ARG 5 1HG ARG 5 -5.662 6.746 2.575
30 HG3 ARG 5 2HG ARG 5 -6.027 6.083 4.173
31 HD2 ARG 5 1HD ARG 5 -7.249 8.221 4.707
32 HD3 ARG 5 2HD ARG 5 -6.969 8.743 3.039
33 HE ARG 5 HE ARG 5 -8.359 6.198 3.478
34 HH11 ARG 5 1HH1 ARG 5 -8.608 9.566 2.483
35 HH12 ARG 5 2HH1 ARG 5 -10.229 9.384 1.894
36 HH21 ARG 5 1HH2 ARG 5 -10.466 5.985 2.683
37 HH22 ARG 5 2HH2 ARG 5 -11.271 7.362 2.013
38 H CYS 6 H CYS 6 -3.066 4.866 2.518
39 HA CYS 6 HA CYS 6 -2.695 6.344 -0.009
40 HB2 CYS 6 1HB CYS 6 -0.537 5.351 0.759
41 HB3 CYS 6 2HB CYS 6 -1.272 3.756 0.714
42 HG CYS 6 HG CYS 6 -1.736 3.823 -2.050
43 H ARG 7 H ARG 7 -3.328 5.272 -1.907
44 HA ARG 7 HA ARG 7 -5.627 3.419 -1.568
45 HB2 ARG 7 1HB ARG 7 -6.326 5.664 -2.278
46 HB3 ARG 7 2HB ARG 7 -5.122 5.680 -3.560
47 HG2 ARG 7 1HG ARG 7 -6.383 3.755 -4.645
48 HG3 ARG 7 2HG ARG 7 -7.649 3.988 -3.430
49 HD2 ARG 7 1HD ARG 7 -7.991 6.297 -4.217
50 HD3 ARG 7 2HD ARG 7 -6.676 6.108 -5.382
51 HE ARG 7 HE ARG 7 -8.889 4.233 -5.627
52 HH11 ARG 7 1HH1 ARG 7 -7.425 7.199 -6.798
53 HH12 ARG 7 2HH1 ARG 7 -8.385 7.250 -8.237
54 HH21 ARG 7 1HH2 ARG 7 -10.182 4.326 -7.488
55 HH22 ARG 7 2HH2 ARG 7 -9.952 5.613 -8.626
56 H THR 8 H THR 8 -5.424 1.524 -2.600
57 HA THR 8 HA THR 8 -3.313 0.899 -4.455
58 HB THR 8 HB THR 8 -4.692 -1.296 -4.651
59 HG1 THR 8 HG1 THR 8 -6.154 -1.331 -2.646
60 HG21 THR 8 3HG2 THR 8 -3.798 -0.446 -1.869
61 HG22 THR 8 1HG2 THR 8 -2.747 -1.113 -3.123
62 HG23 THR 8 2HG2 THR 8 -4.028 -2.107 -2.423
63 H LEU 9 H LEU 9 -3.352 1.323 -6.570
64 HA LEU 9 HA LEU 9 -5.618 2.475 -7.906
65 HB2 LEU 9 1HB LEU 9 -2.951 1.525 -9.037
66 HB3 LEU 9 2HB LEU 9 -4.118 2.526 -9.894
67 HG LEU 9 HG LEU 9 -2.585 3.364 -7.389
68 HD11 LEU 9 1HD1 LEU 9 -1.079 3.172 -9.302
69 HD12 LEU 9 2HD1 LEU 9 -1.312 4.861 -8.865
70 HD13 LEU 9 3HD1 LEU 9 -2.137 4.199 -10.278
71 HD21 LEU 9 3HD2 LEU 9 -4.464 4.977 -9.149
72 HD22 LEU 9 1HD2 LEU 9 -3.494 5.616 -7.817
73 HD23 LEU 9 2HD2 LEU 9 -4.770 4.445 -7.493
74 H TYR 10 H TYR 10 -3.791 -0.583 -8.255
75 HA TYR 10 HA TYR 10 -6.153 -1.926 -9.401
76 HB2 TYR 10 1HB TYR 10 -3.413 -1.704 -10.713
77 HB3 TYR 10 2HB TYR 10 -4.438 -3.098 -11.035
78 HD1 TYR 10 HD2 TYR 10 -4.073 0.550 -11.552
79 HD2 TYR 10 HD1 TYR 10 -6.495 -2.881 -12.355
80 HE1 TYR 10 HE2 TYR 10 -5.298 1.815 -13.267
81 HE2 TYR 10 HE1 TYR 10 -7.724 -1.613 -14.066
82 HH TYR 10 HH TYR 10 -6.649 1.450 -15.219
83 HA PRO 11 HA PRO 11 -4.839 -5.215 -6.659
84 HB2 PRO 11 1HB PRO 11 -6.050 -7.402 -7.745
85 HB3 PRO 11 2HB PRO 11 -6.972 -6.108 -6.967
86 HG2 PRO 11 1HG PRO 11 -6.494 -6.595 -9.901
87 HG3 PRO 11 2HG PRO 11 -7.998 -6.132 -9.075
88 HD2 PRO 11 1HD PRO 11 -6.380 -4.324 -10.376
89 HD3 PRO 11 2HD PRO 11 -7.415 -3.887 -9.001
90 H PHE 12 H PHE 12 -2.880 -6.182 -6.490
91 HA PHE 12 HA PHE 12 -1.653 -7.464 -8.866
92 HB2 PHE 12 1HB PHE 12 -0.547 -5.321 -7.859
93 HB3 PHE 12 2HB PHE 12 -0.080 -6.346 -6.510
94 HD1 PHE 12 HD1 PHE 12 -0.132 -7.486 -10.060
95 HD2 PHE 12 HD2 PHE 12 2.302 -6.086 -6.832
96 HE1 PHE 12 HE1 PHE 12 1.893 -8.063 -11.324
97 HE2 PHE 12 HE2 PHE 12 4.313 -6.678 -8.108
98 HZ PHE 12 HZ PHE 12 4.117 -7.663 -10.348
99 H SER 13 H SER 13 -2.093 -9.535 -8.647
100 HA SER 13 HA SER 13 -2.417 -10.798 -6.025
101 HB2 SER 13 1HB SER 13 -4.219 -11.030 -7.740
102 HB3 SER 13 2HB SER 13 -3.083 -11.844 -8.818
103 HG SER 13 HG SER 13 -2.963 -13.145 -6.538
104 H GLY 14 H GLY 14 -0.676 -11.284 -9.076
105 HA2 GLY 14 1HA GLY 14 1.675 -12.369 -7.867
106 HA3 GLY 14 2HA GLY 14 0.682 -13.639 -8.589
107 H GLU 15 H GLU 15 1.148 -14.098 -10.607
108 HA GLU 15 HA GLU 15 1.989 -14.139 -12.671
109 HB2 GLU 15 1HB GLU 15 0.248 -12.513 -13.213
110 HB3 GLU 15 2HB GLU 15 1.286 -11.188 -12.707
111 HG2 GLU 15 1HG GLU 15 1.204 -11.275 -15.131
112 HG3 GLU 15 2HG GLU 15 2.828 -11.670 -14.586
113 H ARG 16 H ARG 16 3.156 -10.893 -11.741
114 HA ARG 16 HA ARG 16 5.810 -11.443 -12.740
115 HB2 ARG 16 1HB ARG 16 4.452 -9.193 -12.807
116 HB3 ARG 16 2HB ARG 16 5.032 -8.969 -11.168
117 HG2 ARG 16 1HG ARG 16 6.526 -7.749 -12.547
118 HG3 ARG 16 2HG ARG 16 7.405 -9.213 -12.100
119 HD2 ARG 16 1HD ARG 16 5.957 -8.774 -14.749
120 HD3 ARG 16 2HD ARG 16 7.695 -8.615 -14.502
121 HE ARG 16 HE ARG 16 7.578 -11.069 -13.802
122 HH11 ARG 16 1HH1 ARG 16 5.438 -9.722 -16.248
123 HH12 ARG 16 2HH1 ARG 16 5.204 -11.241 -17.048
124 HH21 ARG 16 1HH2 ARG 16 7.196 -13.060 -14.829
125 HH22 ARG 16 2HH2 ARG 16 6.205 -13.122 -16.247
126 H HIS 17 H HIS 17 4.280 -11.935 -9.742
127 HA HIS 17 HA HIS 17 6.847 -12.563 -8.468
128 HB2 HIS 17 1HB HIS 17 6.324 -11.467 -6.379
129 HB3 HIS 17 2HB HIS 17 6.107 -10.267 -7.648
130 HD2 HIS 17 HD2 HIS 17 3.405 -9.527 -8.138
131 HE1 HIS 17 HE1 HIS 17 1.944 -11.352 -4.619
132 HE2 HIS 17 HE2 HIS 17 1.352 -9.906 -6.606
133 H GLY 18 H GLY 18 6.463 -13.816 -6.406
134 HA2 GLY 18 1HA GLY 18 3.998 -15.456 -6.372
135 HA3 GLY 18 2HA GLY 18 5.582 -16.229 -6.385
136 H GLN 19 H GLN 19 6.651 -13.948 -4.689
137 HA GLN 19 HA GLN 19 5.474 -14.676 -2.066
138 HB2 GLN 19 1HB GLN 19 8.430 -14.462 -2.810
139 HB3 GLN 19 2HB GLN 19 7.845 -14.541 -1.150
140 HG2 GLN 19 1HG GLN 19 7.501 -16.697 -3.258
141 HG3 GLN 19 2HG GLN 19 8.648 -16.728 -1.919
142 HE21 GLN 19 2HE2 GLN 19 6.490 -18.613 -2.579
143 HE22 GLN 19 1HE2 GLN 19 5.479 -18.682 -1.177
144 H GLY 20 H GLY 20 5.260 -12.257 -3.974
145 HA2 GLY 20 1HA GLY 20 6.185 -10.035 -2.346
146 HA3 GLY 20 2HA GLY 20 5.134 -9.950 -3.755
147 H LEU 21 H LEU 21 4.395 -8.311 -1.838
148 HA LEU 21 HA LEU 21 2.431 -9.601 -0.084
149 HB2 LEU 21 1HB LEU 21 3.834 -7.709 0.797
150 HB3 LEU 21 2HB LEU 21 3.084 -6.637 -0.374
151 HG LEU 21 HG LEU 21 0.856 -7.021 0.713
152 HD11 LEU 21 1HD1 LEU 21 1.215 -9.243 1.673
153 HD12 LEU 21 2HD1 LEU 21 0.686 -8.101 2.904
154 HD13 LEU 21 3HD1 LEU 21 2.383 -8.581 2.824
155 HD21 LEU 21 3HD2 LEU 21 2.972 -6.009 2.636
156 HD22 LEU 21 1HD2 LEU 21 1.244 -5.654 2.702
157 HD23 LEU 21 2HD2 LEU 21 2.212 -5.074 1.350
158 H ARG 22 H ARG 22 0.365 -9.843 -0.652
159 HA ARG 22 HA ARG 22 -0.642 -8.888 -3.193
160 HB2 ARG 22 1HB ARG 22 -1.774 -10.718 -1.052
161 HB3 ARG 22 2HB ARG 22 -2.812 -10.106 -2.328
162 HG2 ARG 22 1HG ARG 22 -2.080 -12.307 -2.933
163 HG3 ARG 22 2HG ARG 22 -1.326 -11.151 -4.025
164 HD2 ARG 22 1HD ARG 22 0.784 -11.330 -2.758
165 HD3 ARG 22 2HD ARG 22 0.022 -12.473 -1.643
166 HE ARG 22 HE ARG 22 -0.277 -13.441 -4.261
167 HH11 ARG 22 1HH1 ARG 22 2.375 -12.937 -1.990
168 HH12 ARG 22 2HH1 ARG 22 3.301 -14.259 -2.623
169 HH21 ARG 22 1HH2 ARG 22 0.957 -15.124 -5.060
170 HH22 ARG 22 2HH2 ARG 22 2.498 -15.495 -4.357
171 H PHE 23 H PHE 23 -2.067 -7.318 -3.559
172 HA PHE 23 HA PHE 23 -3.682 -6.114 -1.456
173 HB2 PHE 23 1HB PHE 23 -2.941 -3.782 -2.076
174 HB3 PHE 23 2HB PHE 23 -1.710 -4.730 -1.260
175 HD1 PHE 23 HD1 PHE 23 0.305 -5.530 -2.509
176 HD2 PHE 23 HD2 PHE 23 -2.602 -3.017 -4.391
177 HE1 PHE 23 HE1 PHE 23 1.922 -4.979 -4.285
178 HE2 PHE 23 HE2 PHE 23 -0.980 -2.474 -6.159
179 HZ PHE 23 HZ PHE 23 1.281 -3.451 -6.104
180 H ALA 24 H ALA 24 -5.648 -5.711 -2.236
181 HA ALA 24 HA ALA 24 -6.207 -5.839 -5.116
182 HB1 ALA 24 3HB ALA 24 -8.552 -6.188 -4.415
183 HB2 ALA 24 1HB ALA 24 -8.085 -5.967 -2.722
184 HB3 ALA 24 2HB ALA 24 -7.476 -7.349 -3.634
185 H ALA 25 H ALA 25 -7.515 -4.212 -6.127
186 HA ALA 25 HA ALA 25 -6.860 -1.538 -5.511
187 HB1 ALA 25 3HB ALA 25 -7.354 -2.315 -7.796
188 HB2 ALA 25 1HB ALA 25 -8.345 -0.922 -7.359
189 HB3 ALA 25 2HB ALA 25 -9.046 -2.545 -7.356
190 H GLY 26 H GLY 26 -7.866 0.017 -4.374
191 HA2 GLY 26 1HA GLY 26 -9.812 1.173 -3.595
192 HA3 GLY 26 2HA GLY 26 -10.641 -0.364 -3.394
193 H GLU 27 H GLU 27 -8.035 -1.448 -2.151
194 HA GLU 27 HA GLU 27 -8.746 -1.062 0.562
195 HB2 GLU 27 1HB GLU 27 -6.166 -2.189 -0.611
196 HB3 GLU 27 2HB GLU 27 -6.614 -2.270 1.095
197 HG2 GLU 27 1HG GLU 27 -8.643 -3.600 0.433
198 HG3 GLU 27 2HG GLU 27 -8.032 -3.615 -1.227
199 H LEU 28 H LEU 28 -8.035 0.276 2.104
200 HA LEU 28 HA LEU 28 -6.292 2.515 1.435
201 HB2 LEU 28 1HB LEU 28 -7.744 1.860 4.030
202 HB3 LEU 28 2HB LEU 28 -6.947 3.386 3.654
203 HG LEU 28 HG LEU 28 -9.409 2.271 2.234
204 HD11 LEU 28 1HD1 LEU 28 -9.219 4.568 4.206
205 HD12 LEU 28 2HD1 LEU 28 -9.933 2.980 4.508
206 HD13 LEU 28 3HD1 LEU 28 -10.662 4.059 3.325
207 HD21 LEU 28 3HD2 LEU 28 -8.061 3.596 0.682
208 HD22 LEU 28 1HD2 LEU 28 -8.016 4.944 1.820
209 HD23 LEU 28 2HD2 LEU 28 -9.546 4.449 1.090
210 H ILE 29 H ILE 29 -4.229 1.877 1.343
211 HA ILE 29 HA ILE 29 -3.018 0.054 3.283
212 HB ILE 29 HB ILE 29 -1.769 1.493 0.883
213 HG12 ILE 29 1HG1 ILE 29 -3.508 -0.105 0.164
214 HG13 ILE 29 2HG1 ILE 29 -1.913 -0.680 -0.301
215 HG21 ILE 29 1HG2 ILE 29 0.115 -0.118 1.118
216 HG22 ILE 29 2HG2 ILE 29 -0.614 -0.743 2.601
217 HG23 ILE 29 3HG2 ILE 29 -0.052 0.929 2.532
218 HD11 ILE 29 3HD1 ILE 29 -3.321 -2.484 0.471
219 HD12 ILE 29 1HD1 ILE 29 -3.556 -1.680 2.022
220 HD13 ILE 29 2HD1 ILE 29 -1.955 -2.268 1.564
221 H THR 30 H THR 30 -2.521 0.967 5.199
222 HA THR 30 HA THR 30 -1.726 3.724 5.491
223 HB THR 30 HB THR 30 -1.258 3.028 7.905
224 HG1 THR 30 HG1 THR 30 -0.838 0.801 7.507
225 HG21 THR 30 3HG2 THR 30 -3.635 2.722 8.507
226 HG22 THR 30 1HG2 THR 30 -4.020 2.341 6.827
227 HG23 THR 30 2HG2 THR 30 -3.460 3.959 7.260
228 H LEU 31 H LEU 31 0.142 4.233 4.537
229 HA LEU 31 HA LEU 31 2.501 2.656 4.434
230 HB2 LEU 31 1HB LEU 31 2.323 5.696 4.238
231 HB3 LEU 31 2HB LEU 31 3.632 4.686 3.651
232 HG LEU 31 HG LEU 31 0.805 4.677 2.505
233 HD11 LEU 31 1HD1 LEU 31 1.718 5.924 0.596
234 HD12 LEU 31 2HD1 LEU 31 3.290 6.033 1.394
235 HD13 LEU 31 3HD1 LEU 31 1.883 6.838 2.096
236 HD21 LEU 31 3HD2 LEU 31 3.338 3.331 1.483
237 HD22 LEU 31 1HD2 LEU 31 1.792 3.390 0.630
238 HD23 LEU 31 2HD2 LEU 31 1.918 2.528 2.161
239 H LEU 32 H LEU 32 4.335 2.731 5.751
240 HA LEU 32 HA LEU 32 3.846 3.234 8.538
241 HB2 LEU 32 1HB LEU 32 6.338 2.329 7.050
242 HB3 LEU 32 2HB LEU 32 6.211 2.391 8.805
243 HG LEU 32 HG LEU 32 4.529 0.615 6.973
244 HD11 LEU 32 1HD1 LEU 32 5.758 -1.257 7.961
245 HD12 LEU 32 2HD1 LEU 32 6.781 -0.136 8.865
246 HD13 LEU 32 3HD1 LEU 32 6.836 -0.161 7.097
247 HD21 LEU 32 3HD2 LEU 32 3.688 -0.410 9.060
248 HD22 LEU 32 1HD2 LEU 32 3.237 1.289 8.926
249 HD23 LEU 32 2HD2 LEU 32 4.547 0.808 10.006
250 H GLN 33 H GLN 33 5.952 4.631 6.067
251 HA GLN 33 HA GLN 33 5.893 7.224 7.327
252 HB2 GLN 33 1HB GLN 33 7.778 6.034 8.518
253 HB3 GLN 33 2HB GLN 33 8.594 5.820 6.971
254 HG2 GLN 33 1HG GLN 33 8.800 8.248 6.725
255 HG3 GLN 33 2HG GLN 33 7.904 8.493 8.222
256 HE21 GLN 33 2HE2 GLN 33 10.578 9.413 7.563
257 HE22 GLN 33 1HE2 GLN 33 11.635 8.736 8.748
258 H VAL 34 H VAL 34 6.764 8.891 5.895
259 HA VAL 34 HA VAL 34 6.830 8.063 3.056
260 HB VAL 34 HB VAL 34 6.119 10.486 2.572
261 HG11 VAL 34 1HG1 VAL 34 4.131 8.710 4.046
262 HG12 VAL 34 2HG1 VAL 34 4.578 8.580 2.345
263 HG13 VAL 34 3HG1 VAL 34 3.717 10.009 2.919
264 HG21 VAL 34 3HG2 VAL 34 6.639 11.487 4.782
265 HG22 VAL 34 1HG2 VAL 34 5.388 10.498 5.538
266 HG23 VAL 34 2HG2 VAL 34 4.945 11.741 4.364
267 HA PRO 35 HA PRO 35 11.060 9.913 3.226
268 HB2 PRO 35 1HB PRO 35 12.344 8.029 1.780
269 HB3 PRO 35 2HB PRO 35 11.988 7.757 3.494
270 HG2 PRO 35 1HG PRO 35 10.506 6.749 1.066
271 HG3 PRO 35 2HG PRO 35 10.977 5.863 2.532
272 HD2 PRO 35 1HD PRO 35 8.451 6.914 2.138
273 HD3 PRO 35 2HD PRO 35 9.159 6.652 3.744
274 H ASP 36 H ASP 36 12.362 10.583 1.239
275 HA ASP 36 HA ASP 36 10.670 11.765 -0.732
276 HB2 ASP 36 1HB ASP 36 13.699 11.617 -0.433
277 HB3 ASP 36 2HB ASP 36 12.947 12.404 -1.815
278 H GLY 37 H GLY 37 10.457 11.370 -2.883
279 HA2 GLY 37 1HA GLY 37 10.751 10.231 -4.921
280 HA3 GLY 37 2HA GLY 37 11.569 8.916 -4.085
281 H GLY 38 H GLY 38 9.669 8.311 -5.916
282 HA2 GLY 38 1HA GLY 38 7.071 7.812 -4.690
283 HA3 GLY 38 2HA GLY 38 7.582 7.380 -6.313
284 H TRP 39 H TRP 39 8.698 6.604 -3.028
285 HA TRP 39 HA TRP 39 8.309 3.728 -3.442
286 HB2 TRP 39 1HB TRP 39 10.641 4.141 -4.176
287 HB3 TRP 39 2HB TRP 39 10.986 4.996 -2.676
288 HD1 TRP 39 HD1 TRP 39 12.034 3.533 -0.798
289 HE1 TRP 39 HE1 TRP 39 12.311 1.013 -0.380
290 HE3 TRP 39 HE3 TRP 39 9.251 1.736 -4.705
291 HZ2 TRP 39 HZ2 TRP 39 11.470 -1.412 -1.533
292 HZ3 TRP 39 HZ3 TRP 39 9.035 -0.701 -4.974
293 HH2 TRP 39 HH2 TRP 39 10.130 -2.237 -3.422
294 H TRP 40 H TRP 40 7.140 3.150 -1.744
295 HA TRP 40 HA TRP 40 7.708 4.191 0.956
296 HB2 TRP 40 1HB TRP 40 4.948 4.056 -0.373
297 HB3 TRP 40 2HB TRP 40 5.208 4.376 1.342
298 HD1 TRP 40 HD1 TRP 40 6.637 6.698 1.894
299 HE1 TRP 40 HE1 TRP 40 6.607 8.960 0.692
300 HE3 TRP 40 HE3 TRP 40 4.586 5.238 -2.558
301 HZ2 TRP 40 HZ2 TRP 40 5.819 10.012 -1.774
302 HZ3 TRP 40 HZ3 TRP 40 4.219 6.954 -4.281
303 HH2 TRP 40 HH2 TRP 40 4.824 9.293 -3.906
304 H GLU 41 H GLU 41 7.466 2.682 2.563
305 HA GLU 41 HA GLU 41 6.636 -0.046 1.834
306 HB2 GLU 41 1HB GLU 41 8.754 0.158 3.102
307 HB3 GLU 41 2HB GLU 41 7.928 1.040 4.385
308 HG2 GLU 41 1HG GLU 41 6.652 -0.914 5.015
309 HG3 GLU 41 2HG GLU 41 7.227 -1.802 3.603
310 H GLY 42 H GLY 42 4.562 -0.495 2.065
311 HA2 GLY 42 1HA GLY 42 2.868 0.973 4.013
312 HA3 GLY 42 2HA GLY 42 2.310 0.212 2.525
313 H GLU 43 H GLU 43 1.598 -0.188 5.422
314 HA GLU 43 HA GLU 43 2.125 -3.095 5.607
315 HB2 GLU 43 1HB GLU 43 3.106 -1.657 7.446
316 HB3 GLU 43 2HB GLU 43 1.470 -1.202 7.912
317 HG2 GLU 43 1HG GLU 43 0.942 -3.531 8.432
318 HG3 GLU 43 2HG GLU 43 2.527 -4.054 7.870
319 H LYS 44 H LYS 44 0.437 -4.382 5.640
320 HA LYS 44 HA LYS 44 -2.292 -3.595 5.363
321 HB2 LYS 44 1HB LYS 44 -1.061 -6.329 6.032
322 HB3 LYS 44 2HB LYS 44 -2.736 -6.062 5.550
323 HG2 LYS 44 1HG LYS 44 -0.303 -5.495 3.810
324 HG3 LYS 44 2HG LYS 44 -1.313 -6.939 3.701
325 HD2 LYS 44 1HD LYS 44 -2.276 -4.087 3.231
326 HD3 LYS 44 2HD LYS 44 -1.845 -5.229 1.955
327 HE2 LYS 44 1HE LYS 44 -3.690 -6.683 2.540
328 HE3 LYS 44 2HE LYS 44 -4.029 -5.754 4.002
329 HZ1 LYS 44 3HZ LYS 44 -4.602 -3.866 2.598
330 HZ2 LYS 44 1HZ LYS 44 -5.580 -5.210 2.290
331 HZ3 LYS 44 2HZ LYS 44 -4.344 -4.805 1.216
332 H GLU 45 H GLU 45 -3.972 -4.318 6.868
333 HA GLU 45 HA GLU 45 -3.666 -3.321 9.485
334 HB2 GLU 45 1HB GLU 45 -5.998 -4.144 9.812
335 HB3 GLU 45 2HB GLU 45 -5.802 -3.234 8.317
336 HG2 GLU 45 1HG GLU 45 -5.687 -5.381 7.050
337 HG3 GLU 45 2HG GLU 45 -5.939 -6.268 8.550
338 H ASP 46 H ASP 46 -2.837 -6.369 8.260
339 HA ASP 46 HA ASP 46 -3.218 -7.930 10.690
340 HB2 ASP 46 1HB ASP 46 -1.823 -8.720 8.096
341 HB3 ASP 46 2HB ASP 46 -2.417 -9.806 9.352
342 H GLY 47 H GLY 47 -0.867 -5.766 9.670
343 HA2 GLY 47 1HA GLY 47 1.178 -5.293 10.732
344 HA3 GLY 47 2HA GLY 47 1.225 -6.922 11.390
345 H LEU 48 H LEU 48 0.413 -7.256 8.223
346 HA LEU 48 HA LEU 48 3.056 -8.150 7.424
347 HB2 LEU 48 1HB LEU 48 0.406 -8.152 5.909
348 HB3 LEU 48 2HB LEU 48 1.878 -8.964 5.384
349 HG LEU 48 HG LEU 48 0.279 -9.666 7.885
350 HD11 LEU 48 1HD1 LEU 48 -0.957 -10.257 5.869
351 HD12 LEU 48 2HD1 LEU 48 -0.394 -11.704 6.696
352 HD13 LEU 48 3HD1 LEU 48 0.432 -11.150 5.238
353 HD21 LEU 48 3HD2 LEU 48 1.744 -11.653 8.044
354 HD22 LEU 48 1HD2 LEU 48 2.644 -10.148 8.215
355 HD23 LEU 48 2HD2 LEU 48 2.716 -11.048 6.698
356 H ARG 49 H ARG 49 4.424 -6.512 6.835
357 HA ARG 49 HA ARG 49 3.443 -4.299 5.132
358 HB2 ARG 49 1HB ARG 49 5.510 -3.104 5.772
359 HB3 ARG 49 2HB ARG 49 4.579 -3.576 7.189
360 HG2 ARG 49 1HG ARG 49 6.125 -5.494 7.535
361 HG3 ARG 49 2HG ARG 49 7.080 -4.951 6.153
362 HD2 ARG 49 1HD ARG 49 7.557 -2.831 7.310
363 HD3 ARG 49 2HD ARG 49 6.586 -3.356 8.691
364 HE ARG 49 HE ARG 49 8.375 -5.324 8.594
365 HH11 ARG 49 1HH1 ARG 49 8.980 -1.876 8.193
366 HH12 ARG 49 2HH1 ARG 49 10.498 -1.931 9.028
367 HH21 ARG 49 1HH2 ARG 49 10.360 -5.355 9.711
368 HH22 ARG 49 2HH2 ARG 49 11.278 -3.894 9.882
369 H GLY 50 H GLY 50 4.732 -3.652 3.307
370 HA2 GLY 50 1HA GLY 50 6.650 -5.513 2.166
371 HA3 GLY 50 2HA GLY 50 5.062 -5.527 1.404
372 H TRP 51 H TRP 51 6.804 -4.993 -0.283
373 HA TRP 51 HA TRP 51 7.657 -2.261 -0.504
374 HB2 TRP 51 1HB TRP 51 8.383 -3.038 -2.846
375 HB3 TRP 51 2HB TRP 51 9.128 -3.857 -1.482
376 HD1 TRP 51 HD1 TRP 51 8.516 -6.470 -1.126
377 HE1 TRP 51 HE1 TRP 51 7.571 -8.241 -2.720
378 HE3 TRP 51 HE3 TRP 51 6.719 -3.393 -4.822
379 HZ2 TRP 51 HZ2 TRP 51 6.236 -8.350 -5.191
380 HZ3 TRP 51 HZ3 TRP 51 5.622 -4.423 -6.777
381 HH2 TRP 51 HH2 TRP 51 5.393 -6.854 -6.949
382 H PHE 52 H PHE 52 6.601 -0.610 -1.425
383 HA PHE 52 HA PHE 52 4.324 -1.062 -3.240
384 HB2 PHE 52 1HB PHE 52 4.313 0.615 -0.697
385 HB3 PHE 52 2HB PHE 52 3.201 0.963 -2.014
386 HD1 PHE 52 HD1 PHE 52 4.043 -1.448 0.656
387 HD2 PHE 52 HD2 PHE 52 1.348 -0.538 -2.525
388 HE1 PHE 52 HE1 PHE 52 2.472 -3.140 1.492
389 HE2 PHE 52 HE2 PHE 52 -0.223 -2.227 -1.679
390 HZ PHE 52 HZ PHE 52 0.337 -3.534 0.330
391 HA PRO 53 HA PRO 53 6.869 2.203 -5.296
392 HB2 PRO 53 1HB PRO 53 5.847 0.879 -7.760
393 HB3 PRO 53 2HB PRO 53 7.515 1.205 -7.278
394 HG2 PRO 53 1HG PRO 53 6.498 -1.309 -7.320
395 HG3 PRO 53 2HG PRO 53 7.729 -0.813 -6.136
396 HD2 PRO 53 1HD PRO 53 4.733 -1.060 -5.776
397 HD3 PRO 53 2HD PRO 53 6.049 -1.600 -4.702
398 H ALA 54 H ALA 54 5.987 4.050 -6.275
399 HA ALA 54 HA ALA 54 3.294 4.684 -5.726
400 HB1 ALA 54 3HB ALA 54 5.105 6.351 -5.764
401 HB2 ALA 54 1HB ALA 54 3.765 6.836 -6.805
402 HB3 ALA 54 2HB ALA 54 5.243 6.176 -7.514
403 H SER 55 H SER 55 4.735 3.224 -8.504
404 HA SER 55 HA SER 55 2.922 3.859 -10.552
405 HB2 SER 55 1HB SER 55 4.524 1.292 -10.171
406 HB3 SER 55 2HB SER 55 3.853 1.880 -11.700
407 HG SER 55 HG SER 55 5.200 3.865 -11.145
408 H TYR 56 H TYR 56 2.690 1.567 -7.894
409 HA TYR 56 HA TYR 56 0.267 0.280 -8.993
410 HB2 TYR 56 1HB TYR 56 1.989 -0.445 -6.573
411 HB3 TYR 56 2HB TYR 56 0.575 -1.346 -7.113
412 HD1 TYR 56 HD2 TYR 56 4.090 -0.517 -7.905
413 HD2 TYR 56 HD1 TYR 56 0.685 -2.820 -9.080
414 HE1 TYR 56 HE2 TYR 56 5.514 -1.882 -9.376
415 HE2 TYR 56 HE1 TYR 56 2.110 -4.179 -10.547
416 HH TYR 56 HH TYR 56 5.496 -4.147 -10.366
417 H VAL 57 H VAL 57 1.303 2.529 -6.511
418 HA VAL 57 HA VAL 57 -1.450 2.753 -5.482
419 HB VAL 57 HB VAL 57 -0.632 2.880 -3.123
420 HG11 VAL 57 1HG1 VAL 57 -1.629 0.783 -3.911
421 HG12 VAL 57 2HG1 VAL 57 -0.361 0.457 -2.733
422 HG13 VAL 57 3HG1 VAL 57 -0.051 0.208 -4.453
423 HG21 VAL 57 3HG2 VAL 57 1.626 1.997 -2.520
424 HG22 VAL 57 1HG2 VAL 57 1.723 3.472 -3.487
425 HG23 VAL 57 2HG2 VAL 57 2.034 1.904 -4.234
426 H GLN 58 H GLN 58 -2.078 4.814 -5.005
427 HA GLN 58 HA GLN 58 -0.047 6.961 -4.772
428 HB2 GLN 58 1HB GLN 58 -2.666 7.056 -6.334
429 HB3 GLN 58 2HB GLN 58 -1.755 8.498 -5.879
430 HG2 GLN 58 1HG GLN 58 0.180 7.664 -7.185
431 HG3 GLN 58 2HG GLN 58 -0.774 6.261 -7.663
432 HE21 GLN 58 2HE2 GLN 58 -0.411 9.729 -8.003
433 HE22 GLN 58 1HE2 GLN 58 -1.379 9.891 -9.427
434 H LEU 59 H LEU 59 -0.370 8.367 -3.097
435 HA LEU 59 HA LEU 59 -2.200 7.447 -1.073
436 HB2 LEU 59 1HB LEU 59 -1.009 9.194 0.390
437 HB3 LEU 59 2HB LEU 59 -0.114 7.781 -0.104
438 HG LEU 59 HG LEU 59 0.186 10.291 -1.764
439 HD11 LEU 59 1HD1 LEU 59 1.950 11.146 -0.300
440 HD12 LEU 59 2HD1 LEU 59 1.617 9.888 0.893
441 HD13 LEU 59 3HD1 LEU 59 0.402 11.123 0.543
442 HD21 LEU 59 3HD2 LEU 59 2.468 9.435 -2.073
443 HD22 LEU 59 1HD2 LEU 59 1.278 8.200 -2.482
444 HD23 LEU 59 2HD2 LEU 59 2.144 8.109 -0.948
445 H LEU 60 H LEU 60 -3.779 8.540 -0.060
446 HA LEU 60 HA LEU 60 -5.090 10.673 -1.557
447 HB2 LEU 60 1HB LEU 60 -6.053 8.972 0.793
448 HB3 LEU 60 2HB LEU 60 -7.055 10.094 -0.123
449 HG LEU 60 HG LEU 60 -5.771 7.565 -1.255
450 HD11 LEU 60 1HD1 LEU 60 -8.044 6.620 -1.326
451 HD12 LEU 60 2HD1 LEU 60 -8.674 8.049 -0.501
452 HD13 LEU 60 3HD1 LEU 60 -7.535 6.980 0.324
453 HD21 LEU 60 3HD2 LEU 60 -7.722 9.499 -2.559
454 HD22 LEU 60 1HD2 LEU 60 -7.162 7.973 -3.252
455 HD23 LEU 60 2HD2 LEU 60 -6.020 9.283 -2.977
Start of MODEL 19
1 H1 MET 1 1H MET 1 -0.926 12.506 13.611
2 H2 MET 1 2H MET 1 -0.332 13.122 12.153
3 H3 MET 1 3H MET 1 -1.240 11.697 12.160
4 HA MET 1 HA MET 1 -3.186 12.888 12.918
5 HB2 MET 1 1HB MET 1 -1.409 15.348 12.588
6 HB3 MET 1 2HB MET 1 -3.138 15.393 12.913
7 HG2 MET 1 1HG MET 1 -2.802 14.351 15.082
8 HG3 MET 1 2HG MET 1 -1.075 14.162 14.764
9 HE1 MET 1 3HE MET 1 -2.332 15.572 17.402
10 HE2 MET 1 1HE MET 1 -1.200 16.915 17.575
11 HE3 MET 1 2HE MET 1 -0.608 15.314 17.130
12 H SER 2 H SER 2 -0.793 13.724 10.459
13 HA SER 2 HA SER 2 -2.674 14.171 8.335
14 HB2 SER 2 1HB SER 2 0.298 13.423 8.210
15 HB3 SER 2 2HB SER 2 -0.668 14.021 6.857
16 HG SER 2 HG SER 2 0.390 15.369 9.035
17 H GLY 3 H GLY 3 -3.299 12.686 6.720
18 HA2 GLY 3 1HA GLY 3 -3.544 9.912 7.473
19 HA3 GLY 3 2HA GLY 3 -4.150 10.662 6.007
20 H ALA 4 H ALA 4 -1.143 9.528 7.542
21 HA ALA 4 HA ALA 4 0.382 9.348 5.118
22 HB1 ALA 4 3HB ALA 4 2.072 8.202 6.512
23 HB2 ALA 4 1HB ALA 4 0.914 8.075 7.839
24 HB3 ALA 4 2HB ALA 4 1.483 9.660 7.312
25 H ARG 5 H ARG 5 -1.182 8.244 3.849
26 HA ARG 5 HA ARG 5 -0.997 5.412 3.747
27 HB2 ARG 5 1HB ARG 5 -3.389 4.877 4.135
28 HB3 ARG 5 2HB ARG 5 -2.620 5.513 5.570
29 HG2 ARG 5 1HG ARG 5 -4.673 6.598 5.658
30 HG3 ARG 5 2HG ARG 5 -3.699 7.811 4.830
31 HD2 ARG 5 1HD ARG 5 -4.634 7.078 2.671
32 HD3 ARG 5 2HD ARG 5 -5.554 5.816 3.494
33 HE ARG 5 HE ARG 5 -5.986 8.712 3.967
34 HH11 ARG 5 1HH1 ARG 5 -7.309 5.485 3.520
35 HH12 ARG 5 2HH1 ARG 5 -8.949 6.028 3.554
36 HH21 ARG 5 1HH2 ARG 5 -8.136 9.397 4.008
37 HH22 ARG 5 2HH2 ARG 5 -9.413 8.245 3.826
38 H CYS 6 H CYS 6 -2.304 4.533 1.968
39 HA CYS 6 HA CYS 6 -3.267 6.425 -0.064
40 HB2 CYS 6 1HB CYS 6 -1.077 4.356 -0.587
41 HB3 CYS 6 2HB CYS 6 -1.847 5.363 -1.813
42 HG CYS 6 HG CYS 6 -0.874 7.646 0.026
43 H ARG 7 H ARG 7 -4.358 5.196 -1.896
44 HA ARG 7 HA ARG 7 -5.461 2.566 -1.022
45 HB2 ARG 7 1HB ARG 7 -6.860 4.736 -2.660
46 HB3 ARG 7 2HB ARG 7 -7.514 3.126 -2.344
47 HG2 ARG 7 1HG ARG 7 -7.556 3.624 0.083
48 HG3 ARG 7 2HG ARG 7 -6.911 5.232 -0.249
49 HD2 ARG 7 1HD ARG 7 -9.598 4.143 -1.173
50 HD3 ARG 7 2HD ARG 7 -9.332 5.339 0.098
51 HE ARG 7 HE ARG 7 -8.306 6.081 -2.513
52 HH11 ARG 7 1HH1 ARG 7 -11.092 6.305 -0.392
53 HH12 ARG 7 2HH1 ARG 7 -11.775 7.646 -1.246
54 HH21 ARG 7 1HH2 ARG 7 -9.225 7.802 -3.636
55 HH22 ARG 7 2HH2 ARG 7 -10.719 8.489 -3.086
56 H THR 8 H THR 8 -5.273 0.905 -2.433
57 HA THR 8 HA THR 8 -3.635 1.192 -4.785
58 HB THR 8 HB THR 8 -4.286 -1.330 -5.115
59 HG1 THR 8 HG1 THR 8 -5.185 -2.296 -3.302
60 HG21 THR 8 3HG2 THR 8 -2.105 -0.650 -4.200
61 HG22 THR 8 1HG2 THR 8 -2.730 -2.066 -3.354
62 HG23 THR 8 2HG2 THR 8 -2.812 -0.480 -2.593
63 H LEU 9 H LEU 9 -4.314 1.830 -6.692
64 HA LEU 9 HA LEU 9 -7.036 1.324 -7.657
65 HB2 LEU 9 1HB LEU 9 -6.094 2.657 -9.720
66 HB3 LEU 9 2HB LEU 9 -6.501 3.490 -8.238
67 HG LEU 9 HG LEU 9 -4.037 3.483 -7.626
68 HD11 LEU 9 1HD1 LEU 9 -3.632 2.579 -10.488
69 HD12 LEU 9 2HD1 LEU 9 -3.253 1.650 -9.033
70 HD13 LEU 9 3HD1 LEU 9 -2.373 3.134 -9.381
71 HD21 LEU 9 3HD2 LEU 9 -5.119 5.483 -8.527
72 HD22 LEU 9 1HD2 LEU 9 -4.782 4.948 -10.177
73 HD23 LEU 9 2HD2 LEU 9 -3.454 5.362 -9.088
74 H TYR 10 H TYR 10 -3.916 -0.066 -7.796
75 HA TYR 10 HA TYR 10 -4.749 -1.959 -9.913
76 HB2 TYR 10 1HB TYR 10 -2.022 -1.111 -8.896
77 HB3 TYR 10 2HB TYR 10 -2.204 -2.723 -9.580
78 HD1 TYR 10 HD1 TYR 10 -3.426 -2.823 -11.946
79 HD2 TYR 10 HD2 TYR 10 -1.469 0.645 -10.401
80 HE1 TYR 10 HE1 TYR 10 -3.168 -1.951 -14.227
81 HE2 TYR 10 HE2 TYR 10 -1.223 1.521 -12.683
82 HH TYR 10 HH TYR 10 -2.868 0.211 -15.343
83 HA PRO 11 HA PRO 11 -4.963 -5.111 -6.571
84 HB2 PRO 11 1HB PRO 11 -6.452 -6.914 -7.910
85 HB3 PRO 11 2HB PRO 11 -7.187 -5.454 -7.233
86 HG2 PRO 11 1HG PRO 11 -6.371 -6.020 -10.074
87 HG3 PRO 11 2HG PRO 11 -7.849 -5.242 -9.473
88 HD2 PRO 11 1HD PRO 11 -5.639 -3.851 -10.431
89 HD3 PRO 11 2HD PRO 11 -6.827 -3.168 -9.299
90 H PHE 12 H PHE 12 -2.576 -4.746 -7.866
91 HA PHE 12 HA PHE 12 -1.932 -7.050 -9.565
92 HB2 PHE 12 1HB PHE 12 -1.232 -4.655 -10.150
93 HB3 PHE 12 2HB PHE 12 -0.102 -4.720 -8.802
94 HD1 PHE 12 HD1 PHE 12 -0.920 -6.156 -12.135
95 HD2 PHE 12 HD2 PHE 12 2.018 -5.894 -9.047
96 HE1 PHE 12 HE1 PHE 12 0.749 -7.148 -13.636
97 HE2 PHE 12 HE2 PHE 12 3.683 -6.890 -10.552
98 HZ PHE 12 HZ PHE 12 3.054 -7.519 -12.847
99 H SER 13 H SER 13 -1.418 -8.812 -8.526
100 HA SER 13 HA SER 13 -0.655 -9.001 -5.786
101 HB2 SER 13 1HB SER 13 -2.036 -10.712 -6.918
102 HB3 SER 13 2HB SER 13 -0.711 -11.079 -8.019
103 HG SER 13 HG SER 13 0.465 -11.581 -5.935
104 H GLY 14 H GLY 14 1.133 -8.635 -8.716
105 HA2 GLY 14 1HA GLY 14 3.399 -8.458 -9.130
106 HA3 GLY 14 2HA GLY 14 3.720 -8.786 -7.432
107 H GLU 15 H GLU 15 3.735 -10.924 -6.705
108 HA GLU 15 HA GLU 15 3.252 -13.246 -8.241
109 HB2 GLU 15 1HB GLU 15 5.537 -14.132 -8.461
110 HB3 GLU 15 2HB GLU 15 5.410 -12.624 -9.357
111 HG2 GLU 15 1HG GLU 15 6.578 -11.424 -7.580
112 HG3 GLU 15 2HG GLU 15 6.627 -12.877 -6.584
113 H ARG 16 H ARG 16 3.651 -15.186 -6.949
114 HA ARG 16 HA ARG 16 3.982 -14.721 -4.068
115 HB2 ARG 16 1HB ARG 16 3.321 -17.105 -3.815
116 HB3 ARG 16 2HB ARG 16 2.128 -16.161 -4.684
117 HG2 ARG 16 1HG ARG 16 2.096 -18.058 -5.986
118 HG3 ARG 16 2HG ARG 16 3.365 -17.174 -6.831
119 HD2 ARG 16 1HD ARG 16 5.060 -18.460 -5.505
120 HD3 ARG 16 2HD ARG 16 3.742 -19.389 -4.785
121 HE ARG 16 HE ARG 16 3.354 -19.696 -7.463
122 HH11 ARG 16 1HH1 ARG 16 6.136 -20.277 -5.377
123 HH12 ARG 16 2HH1 ARG 16 6.761 -21.542 -6.384
124 HH21 ARG 16 1HH2 ARG 16 4.206 -21.328 -8.751
125 HH22 ARG 16 2HH2 ARG 16 5.659 -22.142 -8.281
126 H HIS 17 H HIS 17 5.820 -15.214 -3.014
127 HA HIS 17 HA HIS 17 7.994 -16.697 -4.331
128 HB2 HIS 17 1HB HIS 17 8.469 -14.394 -4.940
129 HB3 HIS 17 2HB HIS 17 8.187 -13.824 -3.301
130 HD2 HIS 17 HD2 HIS 17 10.872 -16.122 -5.123
131 HE1 HIS 17 HE1 HIS 17 12.642 -14.167 -1.814
132 HE2 HIS 17 HE2 HIS 17 12.999 -15.861 -3.665
133 H GLY 18 H GLY 18 7.359 -14.755 -1.353
134 HA2 GLY 18 1HA GLY 18 7.710 -17.042 0.393
135 HA3 GLY 18 2HA GLY 18 9.104 -15.970 0.382
136 H GLN 19 H GLN 19 5.579 -15.957 0.765
137 HA GLN 19 HA GLN 19 4.169 -15.075 2.279
138 HB2 GLN 19 1HB GLN 19 6.735 -14.867 3.889
139 HB3 GLN 19 2HB GLN 19 5.216 -14.272 4.535
140 HG2 GLN 19 1HG GLN 19 5.754 -16.526 5.352
141 HG3 GLN 19 2HG GLN 19 4.243 -16.502 4.439
142 HE21 GLN 19 2HE2 GLN 19 4.155 -17.576 2.436
143 HE22 GLN 19 1HE2 GLN 19 5.353 -18.722 1.956
144 H GLY 20 H GLY 20 5.536 -13.368 0.225
145 HA2 GLY 20 1HA GLY 20 5.883 -10.730 1.119
146 HA3 GLY 20 2HA GLY 20 5.502 -11.228 -0.520
147 H LEU 21 H LEU 21 4.521 -8.883 0.423
148 HA LEU 21 HA LEU 21 1.761 -9.245 1.355
149 HB2 LEU 21 1HB LEU 21 3.128 -7.468 2.383
150 HB3 LEU 21 2HB LEU 21 3.430 -6.739 0.815
151 HG LEU 21 HG LEU 21 1.092 -6.037 0.628
152 HD11 LEU 21 1HD1 LEU 21 -0.015 -7.933 1.715
153 HD12 LEU 21 2HD1 LEU 21 -0.554 -6.406 2.402
154 HD13 LEU 21 3HD1 LEU 21 0.600 -7.407 3.285
155 HD21 LEU 21 3HD2 LEU 21 2.615 -4.532 1.833
156 HD22 LEU 21 1HD2 LEU 21 2.226 -5.334 3.360
157 HD23 LEU 21 2HD2 LEU 21 0.984 -4.426 2.493
158 H ARG 22 H ARG 22 0.070 -9.201 0.030
159 HA ARG 22 HA ARG 22 0.295 -8.312 -2.793
160 HB2 ARG 22 1HB ARG 22 -1.414 -10.540 -1.579
161 HB3 ARG 22 2HB ARG 22 -1.706 -9.886 -3.184
162 HG2 ARG 22 1HG ARG 22 -0.522 -11.945 -3.436
163 HG3 ARG 22 2HG ARG 22 0.581 -10.643 -3.866
164 HD2 ARG 22 1HD ARG 22 1.609 -12.517 -2.512
165 HD3 ARG 22 2HD ARG 22 1.811 -10.910 -1.822
166 HE ARG 22 HE ARG 22 0.601 -11.542 -0.009
167 HH11 ARG 22 1HH1 ARG 22 -0.014 -13.953 -2.484
168 HH12 ARG 22 2HH1 ARG 22 -0.895 -14.986 -1.412
169 HH21 ARG 22 1HH2 ARG 22 -0.536 -12.926 1.373
170 HH22 ARG 22 2HH2 ARG 22 -1.205 -14.398 0.749
171 H PHE 23 H PHE 23 -1.772 -7.416 -3.676
172 HA PHE 23 HA PHE 23 -3.598 -6.264 -1.652
173 HB2 PHE 23 1HB PHE 23 -2.162 -4.701 -3.843
174 HB3 PHE 23 2HB PHE 23 -3.529 -4.068 -2.938
175 HD1 PHE 23 HD2 PHE 23 -3.081 -4.612 -0.184
176 HD2 PHE 23 HD1 PHE 23 -0.176 -3.649 -3.173
177 HE1 PHE 23 HE2 PHE 23 -1.588 -3.713 1.546
178 HE2 PHE 23 HE1 PHE 23 1.301 -2.750 -1.431
179 HZ PHE 23 HZ PHE 23 0.602 -2.780 0.922
180 H ALA 24 H ALA 24 -5.678 -6.210 -2.235
181 HA ALA 24 HA ALA 24 -6.593 -6.746 -4.974
182 HB1 ALA 24 3HB ALA 24 -8.854 -6.763 -3.958
183 HB2 ALA 24 1HB ALA 24 -8.155 -6.303 -2.398
184 HB3 ALA 24 2HB ALA 24 -7.762 -7.865 -3.118
185 H ALA 25 H ALA 25 -8.418 -5.191 -5.768
186 HA ALA 25 HA ALA 25 -7.437 -2.476 -5.798
187 HB1 ALA 25 3HB ALA 25 -10.047 -3.590 -6.904
188 HB2 ALA 25 1HB ALA 25 -8.525 -3.463 -7.793
189 HB3 ALA 25 2HB ALA 25 -9.364 -2.004 -7.263
190 H GLY 26 H GLY 26 -7.757 -1.078 -4.143
191 HA2 GLY 26 1HA GLY 26 -9.299 0.390 -2.993
192 HA3 GLY 26 2HA GLY 26 -10.411 -0.954 -2.789
193 H GLU 27 H GLU 27 -7.052 -1.577 -2.213
194 HA GLU 27 HA GLU 27 -7.444 -2.157 0.561
195 HB2 GLU 27 1HB GLU 27 -4.899 -2.014 -1.112
196 HB3 GLU 27 2HB GLU 27 -4.945 -2.551 0.567
197 HG2 GLU 27 1HG GLU 27 -6.700 -3.915 -1.463
198 HG3 GLU 27 2HG GLU 27 -4.983 -4.279 -1.422
199 H LEU 28 H LEU 28 -6.543 -1.154 2.361
200 HA LEU 28 HA LEU 28 -5.831 1.712 2.092
201 HB2 LEU 28 1HB LEU 28 -6.813 0.159 4.538
202 HB3 LEU 28 2HB LEU 28 -6.544 1.895 4.451
203 HG LEU 28 HG LEU 28 -8.648 0.397 2.829
204 HD11 LEU 28 1HD1 LEU 28 -10.317 1.375 4.316
205 HD12 LEU 28 2HD1 LEU 28 -9.044 2.077 5.319
206 HD13 LEU 28 3HD1 LEU 28 -9.209 0.323 5.195
207 HD21 LEU 28 3HD2 LEU 28 -7.901 2.443 1.694
208 HD22 LEU 28 1HD2 LEU 28 -8.235 3.397 3.143
209 HD23 LEU 28 2HD2 LEU 28 -9.556 2.615 2.269
210 H ILE 29 H ILE 29 -3.629 1.926 2.061
211 HA ILE 29 HA ILE 29 -1.925 -0.019 3.513
212 HB ILE 29 HB ILE 29 -1.104 1.950 1.295
213 HG12 ILE 29 1HG1 ILE 29 -0.787 -0.234 -0.086
214 HG13 ILE 29 2HG1 ILE 29 -1.807 -1.008 1.112
215 HG21 ILE 29 1HG2 ILE 29 0.770 1.431 2.787
216 HG22 ILE 29 2HG2 ILE 29 1.025 0.674 1.218
217 HG23 ILE 29 3HG2 ILE 29 0.496 -0.306 2.586
218 HD11 ILE 29 3HD1 ILE 29 -3.635 0.496 0.498
219 HD12 ILE 29 1HD1 ILE 29 -3.033 -0.431 -0.874
220 HD13 ILE 29 2HD1 ILE 29 -2.591 1.267 -0.700
221 H THR 30 H THR 30 -1.563 0.795 5.559
222 HA THR 30 HA THR 30 -1.135 3.601 6.114
223 HB THR 30 HB THR 30 -0.497 1.205 7.904
224 HG1 THR 30 HG1 THR 30 -2.633 1.159 7.688
225 HG21 THR 30 3HG2 THR 30 -0.569 2.848 9.756
226 HG22 THR 30 1HG2 THR 30 -0.828 4.154 8.597
227 HG23 THR 30 2HG2 THR 30 0.697 3.269 8.602
228 H LEU 31 H LEU 31 0.609 4.543 5.253
229 HA LEU 31 HA LEU 31 3.031 3.263 4.558
230 HB2 LEU 31 1HB LEU 31 2.525 6.239 5.001
231 HB3 LEU 31 2HB LEU 31 3.883 5.542 4.122
232 HG LEU 31 HG LEU 31 0.954 5.386 3.257
233 HD11 LEU 31 1HD1 LEU 31 1.599 6.903 1.439
234 HD12 LEU 31 2HD1 LEU 31 3.230 7.031 2.101
235 HD13 LEU 31 3HD1 LEU 31 1.852 7.647 3.020
236 HD21 LEU 31 3HD2 LEU 31 2.156 3.377 2.536
237 HD22 LEU 31 1HD2 LEU 31 3.442 4.362 1.834
238 HD23 LEU 31 2HD2 LEU 31 1.816 4.406 1.147
239 H LEU 32 H LEU 32 4.676 2.678 5.802
240 HA LEU 32 HA LEU 32 4.780 3.113 8.634
241 HB2 LEU 32 1HB LEU 32 6.914 1.906 6.814
242 HB3 LEU 32 2HB LEU 32 6.766 1.678 8.555
243 HG LEU 32 HG LEU 32 4.792 0.650 6.470
244 HD11 LEU 32 1HD1 LEU 32 6.821 -0.911 8.093
245 HD12 LEU 32 2HD1 LEU 32 6.905 -0.568 6.361
246 HD13 LEU 32 3HD1 LEU 32 5.613 -1.585 6.994
247 HD21 LEU 32 3HD2 LEU 32 3.653 1.158 8.572
248 HD22 LEU 32 1HD2 LEU 32 4.822 0.185 9.467
249 HD23 LEU 32 2HD2 LEU 32 3.728 -0.583 8.315
250 H GLN 33 H GLN 33 6.715 4.099 5.832
251 HA GLN 33 HA GLN 33 7.617 6.544 7.243
252 HB2 GLN 33 1HB GLN 33 9.165 4.863 5.207
253 HB3 GLN 33 2HB GLN 33 9.670 6.458 5.748
254 HG2 GLN 33 1HG GLN 33 9.363 4.060 7.585
255 HG3 GLN 33 2HG GLN 33 10.881 4.544 6.827
256 HE21 GLN 33 2HE2 GLN 33 8.519 5.352 9.275
257 HE22 GLN 33 1HE2 GLN 33 9.466 6.537 10.087
258 H VAL 34 H VAL 34 7.770 8.409 5.842
259 HA VAL 34 HA VAL 34 6.399 8.223 3.224
260 HB VAL 34 HB VAL 34 5.474 10.599 3.714
261 HG11 VAL 34 1HG1 VAL 34 3.996 8.631 3.637
262 HG12 VAL 34 2HG1 VAL 34 3.468 9.737 4.905
263 HG13 VAL 34 3HG1 VAL 34 4.354 8.269 5.325
264 HG21 VAL 34 3HG2 VAL 34 6.845 11.120 5.705
265 HG22 VAL 34 1HG2 VAL 34 6.082 9.800 6.592
266 HG23 VAL 34 2HG2 VAL 34 5.126 11.202 6.100
267 HA PRO 35 HA PRO 35 10.468 10.402 2.403
268 HB2 PRO 35 1HB PRO 35 11.211 8.836 0.279
269 HB3 PRO 35 2HB PRO 35 11.626 8.429 1.952
270 HG2 PRO 35 1HG PRO 35 9.337 7.403 0.270
271 HG3 PRO 35 2HG PRO 35 10.480 6.481 1.274
272 HD2 PRO 35 1HD PRO 35 8.011 7.096 2.171
273 HD3 PRO 35 2HD PRO 35 9.402 7.071 3.271
274 H ASP 36 H ASP 36 10.962 11.540 0.384
275 HA ASP 36 HA ASP 36 8.621 12.672 -0.856
276 HB2 ASP 36 1HB ASP 36 10.545 14.097 -0.170
277 HB3 ASP 36 2HB ASP 36 11.591 13.241 -1.296
278 H GLY 37 H GLY 37 7.739 10.991 -2.079
279 HA2 GLY 37 1HA GLY 37 7.192 10.165 -4.152
280 HA3 GLY 37 2HA GLY 37 8.669 10.845 -4.814
281 H GLY 38 H GLY 38 8.541 8.760 -5.989
282 HA2 GLY 38 1HA GLY 38 9.631 6.855 -6.557
283 HA3 GLY 38 2HA GLY 38 10.633 7.072 -5.137
284 H TRP 39 H TRP 39 10.255 5.821 -3.358
285 HA TRP 39 HA TRP 39 8.229 3.663 -3.573
286 HB2 TRP 39 1HB TRP 39 11.103 3.436 -2.541
287 HB3 TRP 39 2HB TRP 39 9.926 2.128 -2.614
288 HD1 TRP 39 HD1 TRP 39 12.017 4.373 -4.997
289 HE1 TRP 39 HE1 TRP 39 12.380 3.084 -7.180
290 HE3 TRP 39 HE3 TRP 39 9.106 0.268 -4.040
291 HZ2 TRP 39 HZ2 TRP 39 11.570 0.668 -8.365
292 HZ3 TRP 39 HZ3 TRP 39 8.964 -1.490 -5.758
293 HH2 TRP 39 HH2 TRP 39 10.173 -1.292 -7.874
294 H TRP 40 H TRP 40 7.205 3.113 -1.692
295 HA TRP 40 HA TRP 40 8.023 4.354 0.883
296 HB2 TRP 40 1HB TRP 40 5.190 3.802 -0.165
297 HB3 TRP 40 2HB TRP 40 5.546 4.230 1.505
298 HD1 TRP 40 HD1 TRP 40 5.877 6.790 2.054
299 HE1 TRP 40 HE1 TRP 40 5.677 8.947 0.673
300 HE3 TRP 40 HE3 TRP 40 5.563 4.735 -2.609
301 HZ2 TRP 40 HZ2 TRP 40 5.394 9.686 -2.033
302 HZ3 TRP 40 HZ3 TRP 40 5.325 6.231 -4.540
303 HH2 TRP 40 HH2 TRP 40 5.239 8.656 -4.263
304 H GLU 41 H GLU 41 8.111 2.964 2.618
305 HA GLU 41 HA GLU 41 7.349 0.144 2.287
306 HB2 GLU 41 1HB GLU 41 8.413 1.521 4.814
307 HB3 GLU 41 2HB GLU 41 8.250 -0.206 4.525
308 HG2 GLU 41 1HG GLU 41 10.535 0.172 4.273
309 HG3 GLU 41 2HG GLU 41 9.940 0.090 2.622
310 H GLY 42 H GLY 42 5.365 -0.550 2.907
311 HA2 GLY 42 1HA GLY 42 3.691 1.116 4.718
312 HA3 GLY 42 2HA GLY 42 3.088 0.655 3.125
313 H GLU 43 H GLU 43 1.600 -0.083 5.263
314 HA GLU 43 HA GLU 43 1.946 -3.010 5.260
315 HB2 GLU 43 1HB GLU 43 1.243 -3.216 7.558
316 HB3 GLU 43 2HB GLU 43 2.588 -2.087 7.516
317 HG2 GLU 43 1HG GLU 43 1.025 -0.201 7.737
318 HG3 GLU 43 2HG GLU 43 -0.338 -1.321 7.741
319 H LYS 44 H LYS 44 0.138 -4.148 4.918
320 HA LYS 44 HA LYS 44 -2.423 -3.023 4.298
321 HB2 LYS 44 1HB LYS 44 -1.630 -5.153 3.332
322 HB3 LYS 44 2HB LYS 44 -1.474 -5.862 4.932
323 HG2 LYS 44 1HG LYS 44 -3.896 -5.871 5.208
324 HG3 LYS 44 2HG LYS 44 -4.105 -5.028 3.669
325 HD2 LYS 44 1HD LYS 44 -3.280 -6.941 2.422
326 HD3 LYS 44 2HD LYS 44 -2.797 -7.768 3.908
327 HE2 LYS 44 1HE LYS 44 -4.901 -8.689 2.969
328 HE3 LYS 44 2HE LYS 44 -5.148 -8.002 4.577
329 HZ1 LYS 44 3HZ LYS 44 -5.915 -6.830 1.967
330 HZ2 LYS 44 1HZ LYS 44 -5.950 -5.962 3.412
331 HZ3 LYS 44 2HZ LYS 44 -6.927 -7.322 3.233
332 H GLU 45 H GLU 45 -4.365 -3.274 5.690
333 HA GLU 45 HA GLU 45 -3.987 -2.601 8.423
334 HB2 GLU 45 1HB GLU 45 -6.560 -3.586 7.107
335 HB3 GLU 45 2HB GLU 45 -6.450 -2.694 8.620
336 HG2 GLU 45 1HG GLU 45 -5.836 -1.652 5.828
337 HG3 GLU 45 2HG GLU 45 -7.175 -1.185 6.874
338 H ASP 46 H ASP 46 -4.279 -5.683 6.857
339 HA ASP 46 HA ASP 46 -4.906 -7.370 9.057
340 HB2 ASP 46 1HB ASP 46 -5.048 -8.071 6.704
341 HB3 ASP 46 2HB ASP 46 -3.304 -7.907 6.513
342 H GLY 47 H GLY 47 -2.033 -5.643 8.225
343 HA2 GLY 47 1HA GLY 47 -0.451 -5.146 9.990
344 HA3 GLY 47 2HA GLY 47 -0.579 -6.810 10.537
345 H LEU 48 H LEU 48 -0.511 -7.458 7.447
346 HA LEU 48 HA LEU 48 2.237 -8.178 7.323
347 HB2 LEU 48 1HB LEU 48 0.174 -8.021 5.082
348 HB3 LEU 48 2HB LEU 48 1.738 -8.820 4.967
349 HG LEU 48 HG LEU 48 -0.560 -9.668 6.783
350 HD11 LEU 48 1HD1 LEU 48 -0.734 -11.636 5.325
351 HD12 LEU 48 2HD1 LEU 48 0.540 -10.996 4.281
352 HD13 LEU 48 3HD1 LEU 48 -1.000 -10.145 4.422
353 HD21 LEU 48 3HD2 LEU 48 1.578 -10.175 7.853
354 HD22 LEU 48 1HD2 LEU 48 2.149 -10.994 6.396
355 HD23 LEU 48 2HD2 LEU 48 0.793 -11.656 7.317
356 H ARG 49 H ARG 49 3.970 -7.184 6.363
357 HA ARG 49 HA ARG 49 3.624 -4.388 5.394
358 HB2 ARG 49 1HB ARG 49 5.787 -5.715 7.093
359 HB3 ARG 49 2HB ARG 49 6.049 -4.153 6.311
360 HG2 ARG 49 1HG ARG 49 4.320 -3.103 7.581
361 HG3 ARG 49 2HG ARG 49 3.708 -4.653 8.167
362 HD2 ARG 49 1HD ARG 49 5.545 -4.954 9.639
363 HD3 ARG 49 2HD ARG 49 6.508 -3.716 8.837
364 HE ARG 49 HE ARG 49 5.677 -2.271 10.349
365 HH11 ARG 49 1HH1 ARG 49 3.080 -4.630 9.895
366 HH12 ARG 49 2HH1 ARG 49 1.988 -3.778 10.931
367 HH21 ARG 49 1HH2 ARG 49 4.241 -1.245 11.748
368 HH22 ARG 49 2HH2 ARG 49 2.647 -1.881 11.975
369 H GLY 50 H GLY 50 4.722 -3.725 3.602
370 HA2 GLY 50 1HA GLY 50 6.728 -5.355 2.280
371 HA3 GLY 50 2HA GLY 50 5.195 -5.210 1.419
372 H TRP 51 H TRP 51 7.780 -4.242 0.554
373 HA TRP 51 HA TRP 51 7.508 -1.302 0.651
374 HB2 TRP 51 1HB TRP 51 9.757 -1.318 -0.520
375 HB3 TRP 51 2HB TRP 51 9.772 -2.061 1.072
376 HD1 TRP 51 HD1 TRP 51 10.144 -4.767 1.162
377 HE1 TRP 51 HE1 TRP 51 11.217 -6.385 -0.518
378 HE3 TRP 51 HE3 TRP 51 10.096 -1.794 -3.015
379 HZ2 TRP 51 HZ2 TRP 51 11.951 -6.421 -3.232
380 HZ3 TRP 51 HZ3 TRP 51 11.007 -2.709 -5.114
381 HH2 TRP 51 HH2 TRP 51 11.915 -4.978 -5.222
382 H PHE 52 H PHE 52 6.690 -0.194 -1.049
383 HA PHE 52 HA PHE 52 6.319 -1.377 -3.702
384 HB2 PHE 52 1HB PHE 52 3.972 -0.558 -1.904
385 HB3 PHE 52 2HB PHE 52 3.817 -0.764 -3.648
386 HD1 PHE 52 HD2 PHE 52 4.251 -3.028 -4.670
387 HD2 PHE 52 HD1 PHE 52 3.920 -2.474 -0.447
388 HE1 PHE 52 HE2 PHE 52 3.876 -5.439 -4.383
389 HE2 PHE 52 HE1 PHE 52 3.557 -4.887 -0.163
390 HZ PHE 52 HZ PHE 52 3.536 -6.364 -2.129
391 HA PRO 53 HA PRO 53 6.678 3.027 -4.763
392 HB2 PRO 53 1HB PRO 53 6.328 2.909 -7.421
393 HB3 PRO 53 2HB PRO 53 7.719 2.112 -6.668
394 HG2 PRO 53 1HG PRO 53 5.123 0.906 -7.608
395 HG3 PRO 53 2HG PRO 53 6.777 0.301 -7.835
396 HD2 PRO 53 1HD PRO 53 5.037 -0.575 -5.839
397 HD3 PRO 53 2HD PRO 53 6.806 -0.722 -5.763
398 H ALA 54 H ALA 54 5.378 4.636 -6.224
399 HA ALA 54 HA ALA 54 2.692 4.888 -5.273
400 HB1 ALA 54 3HB ALA 54 4.078 6.880 -5.742
401 HB2 ALA 54 1HB ALA 54 2.577 6.929 -6.664
402 HB3 ALA 54 2HB ALA 54 4.090 6.480 -7.459
403 H SER 55 H SER 55 4.011 3.182 -7.880
404 HA SER 55 HA SER 55 2.303 3.487 -10.036
405 HB2 SER 55 1HB SER 55 3.706 0.921 -9.188
406 HB3 SER 55 2HB SER 55 3.230 1.374 -10.828
407 HG SER 55 HG SER 55 4.678 3.367 -9.976
408 H TYR 56 H TYR 56 1.895 1.362 -7.204
409 HA TYR 56 HA TYR 56 -0.457 0.021 -8.354
410 HB2 TYR 56 1HB TYR 56 0.956 -0.429 -5.686
411 HB3 TYR 56 2HB TYR 56 -0.307 -1.455 -6.371
412 HD1 TYR 56 HD2 TYR 56 0.332 -1.960 -9.070
413 HD2 TYR 56 HD1 TYR 56 3.070 -1.478 -5.823
414 HE1 TYR 56 HE2 TYR 56 2.000 -3.275 -10.283
415 HE2 TYR 56 HE1 TYR 56 4.743 -2.807 -7.043
416 HH TYR 56 HH TYR 56 4.431 -3.561 -10.343
417 H VAL 57 H VAL 57 0.348 2.472 -6.043
418 HA VAL 57 HA VAL 57 -2.360 2.448 -4.853
419 HB VAL 57 HB VAL 57 -1.390 3.726 -2.977
420 HG11 VAL 57 1HG1 VAL 57 0.011 1.953 -1.956
421 HG12 VAL 57 2HG1 VAL 57 0.196 1.183 -3.535
422 HG13 VAL 57 3HG1 VAL 57 -1.396 1.275 -2.779
423 HG21 VAL 57 3HG2 VAL 57 1.306 3.458 -4.383
424 HG22 VAL 57 1HG2 VAL 57 1.056 4.104 -2.755
425 HG23 VAL 57 2HG2 VAL 57 0.399 4.955 -4.153
426 H GLN 58 H GLN 58 -2.889 4.800 -4.031
427 HA GLN 58 HA GLN 58 -2.186 6.858 -6.018
428 HB2 GLN 58 1HB GLN 58 -4.420 5.955 -6.611
429 HB3 GLN 58 2HB GLN 58 -5.003 6.279 -4.983
430 HG2 GLN 58 1HG GLN 58 -5.836 8.007 -6.410
431 HG3 GLN 58 2HG GLN 58 -4.603 8.725 -5.387
432 HE21 GLN 58 2HE2 GLN 58 -5.668 9.681 -7.928
433 HE22 GLN 58 1HE2 GLN 58 -4.336 9.812 -9.022
434 H LEU 59 H LEU 59 -1.385 8.567 -5.032
435 HA LEU 59 HA LEU 59 -1.394 8.990 -2.214
436 HB2 LEU 59 1HB LEU 59 -0.664 10.941 -4.439
437 HB3 LEU 59 2HB LEU 59 -0.217 11.086 -2.742
438 HG LEU 59 HG LEU 59 0.785 8.933 -4.670
439 HD11 LEU 59 1HD1 LEU 59 2.951 10.052 -4.489
440 HD12 LEU 59 2HD1 LEU 59 2.248 11.298 -3.458
441 HD13 LEU 59 3HD1 LEU 59 1.725 11.142 -5.139
442 HD21 LEU 59 3HD2 LEU 59 0.631 8.006 -2.400
443 HD22 LEU 59 1HD2 LEU 59 1.548 9.371 -1.751
444 HD23 LEU 59 2HD2 LEU 59 2.314 8.230 -2.861
445 H LEU 60 H LEU 60 -3.060 9.791 -1.079
446 HA LEU 60 HA LEU 60 -5.335 11.038 -2.425
447 HB2 LEU 60 1HB LEU 60 -5.009 10.224 0.490
448 HB3 LEU 60 2HB LEU 60 -6.510 10.712 -0.289
449 HG LEU 60 HG LEU 60 -4.923 8.162 -0.818
450 HD11 LEU 60 1HD1 LEU 60 -6.221 8.102 1.243
451 HD12 LEU 60 2HD1 LEU 60 -6.889 7.005 0.040
452 HD13 LEU 60 3HD1 LEU 60 -7.688 8.546 0.361
453 HD21 LEU 60 3HD2 LEU 60 -6.706 7.500 -2.396
454 HD22 LEU 60 1HD2 LEU 60 -5.830 8.927 -2.954
455 HD23 LEU 60 2HD2 LEU 60 -7.438 9.101 -2.247
Start of MODEL 20
1 H1 MET 1 1H MET 1 1.053 9.278 13.575
2 H2 MET 1 2H MET 1 1.218 9.837 15.161
3 H3 MET 1 3H MET 1 2.331 10.295 13.972
4 HA MET 1 HA MET 1 -0.536 10.996 14.003
5 HB2 MET 1 1HB MET 1 0.167 13.283 14.539
6 HB3 MET 1 2HB MET 1 0.807 12.189 15.757
7 HG2 MET 1 1HG MET 1 3.023 12.283 14.664
8 HG3 MET 1 2HG MET 1 2.364 13.369 13.445
9 HE1 MET 1 3HE MET 1 1.720 13.312 17.379
10 HE2 MET 1 1HE MET 1 2.913 14.502 17.908
11 HE3 MET 1 2HE MET 1 3.444 12.973 17.214
12 H SER 2 H SER 2 -1.059 12.640 12.379
13 HA SER 2 HA SER 2 -1.325 13.331 10.272
14 HB2 SER 2 1HB SER 2 0.774 14.592 10.695
15 HB3 SER 2 2HB SER 2 1.719 13.224 10.105
16 HG SER 2 HG SER 2 0.742 13.496 8.074
17 H GLY 3 H GLY 3 -2.433 11.460 9.661
18 HA2 GLY 3 1HA GLY 3 -1.104 9.063 8.747
19 HA3 GLY 3 2HA GLY 3 -2.835 9.362 8.792
20 H ALA 4 H ALA 4 0.120 10.014 6.952
21 HA ALA 4 HA ALA 4 -1.139 10.859 4.524
22 HB1 ALA 4 3HB ALA 4 1.611 9.612 4.942
23 HB2 ALA 4 1HB ALA 4 1.239 11.340 4.969
24 HB3 ALA 4 2HB ALA 4 1.056 10.423 3.475
25 H ARG 5 H ARG 5 -2.731 9.489 3.851
26 HA ARG 5 HA ARG 5 -2.305 6.584 3.737
27 HB2 ARG 5 1HB ARG 5 -4.801 8.277 3.295
28 HB3 ARG 5 2HB ARG 5 -4.755 6.518 3.193
29 HG2 ARG 5 1HG ARG 5 -4.182 6.372 5.580
30 HG3 ARG 5 2HG ARG 5 -4.150 8.137 5.696
31 HD2 ARG 5 1HD ARG 5 -6.538 8.241 5.159
32 HD3 ARG 5 2HD ARG 5 -6.591 6.488 4.932
33 HE ARG 5 HE ARG 5 -5.639 7.098 7.529
34 HH11 ARG 5 1HH1 ARG 5 -8.632 7.161 5.709
35 HH12 ARG 5 2HH1 ARG 5 -9.627 6.899 7.100
36 HH21 ARG 5 1HH2 ARG 5 -6.947 6.757 9.353
37 HH22 ARG 5 2HH2 ARG 5 -8.668 6.684 9.165
38 H CYS 6 H CYS 6 -2.519 5.424 1.876
39 HA CYS 6 HA CYS 6 -2.761 6.782 -0.742
40 HB2 CYS 6 1HB CYS 6 -0.961 4.385 -0.118
41 HB3 CYS 6 2HB CYS 6 -1.087 5.240 -1.657
42 HG CYS 6 HG CYS 6 -0.077 6.935 1.099
43 H ARG 7 H ARG 7 -4.083 5.646 -2.191
44 HA ARG 7 HA ARG 7 -5.483 3.272 -1.135
45 HB2 ARG 7 1HB ARG 7 -6.857 5.321 -1.751
46 HB3 ARG 7 2HB ARG 7 -6.359 5.095 -3.425
47 HG2 ARG 7 1HG ARG 7 -7.457 2.909 -3.502
48 HG3 ARG 7 2HG ARG 7 -7.858 3.022 -1.786
49 HD2 ARG 7 1HD ARG 7 -9.208 5.129 -2.409
50 HD3 ARG 7 2HD ARG 7 -9.010 4.616 -4.094
51 HE ARG 7 HE ARG 7 -10.075 2.644 -2.217
52 HH11 ARG 7 1HH1 ARG 7 -10.851 4.965 -4.746
53 HH12 ARG 7 2HH1 ARG 7 -12.442 4.323 -4.991
54 HH21 ARG 7 1HH2 ARG 7 -12.145 1.821 -2.566
55 HH22 ARG 7 2HH2 ARG 7 -13.165 2.538 -3.765
56 H THR 8 H THR 8 -5.101 1.378 -2.058
57 HA THR 8 HA THR 8 -3.193 1.009 -4.128
58 HB THR 8 HB THR 8 -3.838 -1.420 -3.937
59 HG1 THR 8 HG1 THR 8 -5.475 -2.003 -2.498
60 HG21 THR 8 3HG2 THR 8 -3.157 -1.743 -1.579
61 HG22 THR 8 1HG2 THR 8 -3.465 -0.034 -1.242
62 HG23 THR 8 2HG2 THR 8 -2.168 -0.501 -2.346
63 H LEU 9 H LEU 9 -3.495 0.924 -6.285
64 HA LEU 9 HA LEU 9 -5.992 1.672 -7.441
65 HB2 LEU 9 1HB LEU 9 -3.398 0.751 -8.746
66 HB3 LEU 9 2HB LEU 9 -4.765 1.426 -9.624
67 HG LEU 9 HG LEU 9 -3.124 2.920 -7.529
68 HD11 LEU 9 1HD1 LEU 9 -2.192 4.216 -9.388
69 HD12 LEU 9 2HD1 LEU 9 -3.061 3.213 -10.553
70 HD13 LEU 9 3HD1 LEU 9 -1.801 2.505 -9.542
71 HD21 LEU 9 3HD2 LEU 9 -5.335 3.942 -9.349
72 HD22 LEU 9 1HD2 LEU 9 -4.360 4.920 -8.246
73 HD23 LEU 9 2HD2 LEU 9 -5.448 3.694 -7.604
74 H TYR 10 H TYR 10 -3.987 -1.159 -8.397
75 HA TYR 10 HA TYR 10 -6.237 -3.006 -8.192
76 HB2 TYR 10 1HB TYR 10 -4.961 -2.406 -10.916
77 HB3 TYR 10 2HB TYR 10 -6.048 -3.750 -10.604
78 HD1 TYR 10 HD1 TYR 10 -8.467 -3.269 -9.990
79 HD2 TYR 10 HD2 TYR 10 -5.835 -0.200 -11.387
80 HE1 TYR 10 HE1 TYR 10 -10.394 -1.806 -10.429
81 HE2 TYR 10 HE2 TYR 10 -7.766 1.254 -11.825
82 HH TYR 10 HH TYR 10 -10.147 1.069 -12.247
83 HA PRO 11 HA PRO 11 -2.627 -5.625 -7.372
84 HB2 PRO 11 1HB PRO 11 -3.858 -8.071 -7.297
85 HB3 PRO 11 2HB PRO 11 -3.980 -6.899 -5.979
86 HG2 PRO 11 1HG PRO 11 -5.936 -7.463 -8.205
87 HG3 PRO 11 2HG PRO 11 -6.257 -7.220 -6.475
88 HD2 PRO 11 1HD PRO 11 -6.620 -5.242 -8.314
89 HD3 PRO 11 2HD PRO 11 -6.117 -4.898 -6.643
90 H PHE 12 H PHE 12 -1.527 -5.258 -9.321
91 HA PHE 12 HA PHE 12 -2.086 -6.948 -11.653
92 HB2 PHE 12 1HB PHE 12 0.124 -4.884 -11.233
93 HB3 PHE 12 2HB PHE 12 -0.235 -5.711 -12.745
94 HD1 PHE 12 HD2 PHE 12 -2.890 -5.477 -13.422
95 HD2 PHE 12 HD1 PHE 12 -0.629 -2.665 -11.120
96 HE1 PHE 12 HE2 PHE 12 -4.442 -3.685 -14.081
97 HE2 PHE 12 HE1 PHE 12 -2.188 -0.880 -11.785
98 HZ PHE 12 HZ PHE 12 -4.091 -1.386 -13.266
99 H SER 13 H SER 13 -1.518 -9.004 -11.249
100 HA SER 13 HA SER 13 1.074 -9.656 -9.997
101 HB2 SER 13 1HB SER 13 0.071 -12.002 -9.895
102 HB3 SER 13 2HB SER 13 -0.770 -10.789 -8.932
103 HG SER 13 HG SER 13 -2.166 -12.143 -10.187
104 H GLY 14 H GLY 14 2.554 -9.462 -11.578
105 HA2 GLY 14 1HA GLY 14 2.593 -11.460 -13.714
106 HA3 GLY 14 2HA GLY 14 2.597 -9.780 -14.242
107 H GLU 15 H GLU 15 4.119 -10.382 -11.239
108 HA GLU 15 HA GLU 15 6.844 -10.367 -12.434
109 HB2 GLU 15 1HB GLU 15 5.895 -9.203 -9.763
110 HB3 GLU 15 2HB GLU 15 7.569 -9.228 -10.318
111 HG2 GLU 15 1HG GLU 15 7.056 -7.706 -12.125
112 HG3 GLU 15 2HG GLU 15 5.335 -7.787 -11.765
113 H ARG 16 H ARG 16 8.499 -11.424 -11.054
114 HA ARG 16 HA ARG 16 7.689 -14.028 -10.169
115 HB2 ARG 16 1HB ARG 16 10.373 -12.593 -9.982
116 HB3 ARG 16 2HB ARG 16 10.128 -14.240 -9.425
117 HG2 ARG 16 1HG ARG 16 11.121 -14.451 -11.552
118 HG3 ARG 16 2HG ARG 16 9.418 -14.819 -11.814
119 HD2 ARG 16 1HD ARG 16 9.084 -12.514 -12.682
120 HD3 ARG 16 2HD ARG 16 10.805 -12.188 -12.437
121 HE ARG 16 HE ARG 16 10.640 -14.464 -14.017
122 HH11 ARG 16 1HH1 ARG 16 9.760 -11.072 -14.346
123 HH12 ARG 16 2HH1 ARG 16 9.914 -11.081 -16.072
124 HH21 ARG 16 1HH2 ARG 16 10.813 -14.461 -16.267
125 HH22 ARG 16 2HH2 ARG 16 10.515 -13.003 -17.159
126 H HIS 17 H HIS 17 8.240 -14.891 -8.000
127 HA HIS 17 HA HIS 17 7.010 -13.336 -5.929
128 HB2 HIS 17 1HB HIS 17 7.415 -15.373 -4.505
129 HB3 HIS 17 2HB HIS 17 6.599 -15.739 -6.022
130 HD2 HIS 17 HD2 HIS 17 7.902 -17.533 -7.662
131 HE1 HIS 17 HE1 HIS 17 11.377 -17.885 -5.276
132 HE2 HIS 17 HE2 HIS 17 10.028 -18.930 -7.153
133 H GLY 18 H GLY 18 8.217 -13.625 -3.612
134 HA2 GLY 18 1HA GLY 18 10.263 -13.246 -2.394
135 HA3 GLY 18 2HA GLY 18 10.931 -12.430 -3.801
136 H GLN 19 H GLN 19 8.814 -12.180 -1.066
137 HA GLN 19 HA GLN 19 7.737 -10.541 0.031
138 HB2 GLN 19 1HB GLN 19 10.196 -9.565 -0.168
139 HB3 GLN 19 2HB GLN 19 9.475 -8.417 -1.279
140 HG2 GLN 19 1HG GLN 19 8.603 -8.786 1.615
141 HG3 GLN 19 2HG GLN 19 9.759 -7.577 1.065
142 HE21 GLN 19 2HE2 GLN 19 6.394 -8.484 1.182
143 HE22 GLN 19 1HE2 GLN 19 5.755 -6.981 0.621
144 H GLY 20 H GLY 20 6.232 -11.417 -1.761
145 HA2 GLY 20 1HA GLY 20 5.117 -9.242 -3.436
146 HA3 GLY 20 2HA GLY 20 4.770 -10.961 -3.595
147 H LEU 21 H LEU 21 3.898 -8.032 -2.023
148 HA LEU 21 HA LEU 21 2.188 -9.286 -0.009
149 HB2 LEU 21 1HB LEU 21 3.525 -7.201 0.482
150 HB3 LEU 21 2HB LEU 21 2.573 -6.343 -0.719
151 HG LEU 21 HG LEU 21 0.506 -6.842 0.691
152 HD11 LEU 21 1HD1 LEU 21 0.802 -7.437 3.047
153 HD12 LEU 21 2HD1 LEU 21 2.532 -7.676 2.791
154 HD13 LEU 21 3HD1 LEU 21 1.365 -8.729 1.987
155 HD21 LEU 21 3HD2 LEU 21 0.917 -5.018 2.291
156 HD22 LEU 21 1HD2 LEU 21 1.556 -4.624 0.693
157 HD23 LEU 21 2HD2 LEU 21 2.652 -5.122 1.983
158 H ARG 22 H ARG 22 0.070 -9.713 -0.348
159 HA ARG 22 HA ARG 22 -1.255 -9.039 -2.834
160 HB2 ARG 22 1HB ARG 22 -1.635 -11.245 -1.732
161 HB3 ARG 22 2HB ARG 22 -2.336 -10.426 -0.338
162 HG2 ARG 22 1HG ARG 22 -4.169 -9.558 -1.795
163 HG3 ARG 22 2HG ARG 22 -3.476 -10.436 -3.161
164 HD2 ARG 22 1HD ARG 22 -3.853 -12.570 -1.963
165 HD3 ARG 22 2HD ARG 22 -4.549 -11.680 -0.602
166 HE ARG 22 HE ARG 22 -5.719 -11.860 -3.320
167 HH11 ARG 22 1HH1 ARG 22 -6.175 -11.368 0.135
168 HH12 ARG 22 2HH1 ARG 22 -7.903 -11.337 0.006
169 HH21 ARG 22 1HH2 ARG 22 -7.976 -11.829 -3.457
170 HH22 ARG 22 2HH2 ARG 22 -8.917 -11.608 -2.017
171 H PHE 23 H PHE 23 -2.356 -7.224 -3.175
172 HA PHE 23 HA PHE 23 -3.715 -5.823 -0.953
173 HB2 PHE 23 1HB PHE 23 -3.117 -3.640 -2.057
174 HB3 PHE 23 2HB PHE 23 -1.729 -4.507 -1.425
175 HD1 PHE 23 HD2 PHE 23 -0.195 -5.746 -3.067
176 HD2 PHE 23 HD1 PHE 23 -3.213 -3.024 -4.393
177 HE1 PHE 23 HE2 PHE 23 0.924 -5.560 -5.252
178 HE2 PHE 23 HE1 PHE 23 -2.086 -2.844 -6.574
179 HZ PHE 23 HZ PHE 23 -0.022 -4.111 -7.000
180 H ALA 24 H ALA 24 -5.805 -6.032 -1.314
181 HA ALA 24 HA ALA 24 -7.047 -6.472 -3.847
182 HB1 ALA 24 3HB ALA 24 -9.172 -6.262 -2.596
183 HB2 ALA 24 1HB ALA 24 -8.288 -5.656 -1.186
184 HB3 ALA 24 2HB ALA 24 -8.036 -7.310 -1.746
185 H ALA 25 H ALA 25 -8.269 -5.040 -5.092
186 HA ALA 25 HA ALA 25 -7.232 -2.452 -5.453
187 HB1 ALA 25 3HB ALA 25 -8.221 -3.805 -7.274
188 HB2 ALA 25 1HB ALA 25 -8.976 -2.212 -7.180
189 HB3 ALA 25 2HB ALA 25 -9.816 -3.628 -6.543
190 H GLY 26 H GLY 26 -7.514 -0.842 -4.012
191 HA2 GLY 26 1HA GLY 26 -8.970 1.056 -3.614
192 HA3 GLY 26 2HA GLY 26 -10.280 -0.052 -3.259
193 H GLU 27 H GLU 27 -7.450 -1.232 -1.806
194 HA GLU 27 HA GLU 27 -8.374 -0.610 0.829
195 HB2 GLU 27 1HB GLU 27 -5.815 -1.917 -0.154
196 HB3 GLU 27 2HB GLU 27 -6.136 -1.634 1.557
197 HG2 GLU 27 1HG GLU 27 -8.265 -2.998 1.283
198 HG3 GLU 27 2HG GLU 27 -7.692 -3.423 -0.336
199 H LEU 28 H LEU 28 -7.993 1.077 2.083
200 HA LEU 28 HA LEU 28 -6.101 3.181 1.351
201 HB2 LEU 28 1HB LEU 28 -7.896 3.016 3.816
202 HB3 LEU 28 2HB LEU 28 -7.093 4.451 3.191
203 HG LEU 28 HG LEU 28 -9.382 2.963 1.835
204 HD11 LEU 28 1HD1 LEU 28 -10.757 4.907 2.382
205 HD12 LEU 28 2HD1 LEU 28 -9.406 5.653 3.240
206 HD13 LEU 28 3HD1 LEU 28 -10.115 4.152 3.842
207 HD21 LEU 28 3HD2 LEU 28 -9.442 4.823 0.227
208 HD22 LEU 28 1HD2 LEU 28 -7.905 3.965 0.163
209 HD23 LEU 28 2HD2 LEU 28 -8.006 5.530 0.970
210 H ILE 29 H ILE 29 -4.020 2.550 1.785
211 HA ILE 29 HA ILE 29 -3.338 1.337 4.394
212 HB ILE 29 HB ILE 29 -1.603 1.418 1.872
213 HG12 ILE 29 1HG1 ILE 29 -3.605 0.040 1.411
214 HG13 ILE 29 2HG1 ILE 29 -2.180 -0.982 1.528
215 HG21 ILE 29 1HG2 ILE 29 -0.310 1.206 3.954
216 HG22 ILE 29 2HG2 ILE 29 -0.232 -0.290 3.025
217 HG23 ILE 29 3HG2 ILE 29 -1.277 -0.190 4.445
218 HD11 ILE 29 3HD1 ILE 29 -4.108 -2.000 2.576
219 HD12 ILE 29 1HD1 ILE 29 -4.285 -0.619 3.658
220 HD13 ILE 29 2HD1 ILE 29 -2.863 -1.661 3.777
221 H THR 30 H THR 30 -2.296 2.580 5.835
222 HA THR 30 HA THR 30 -1.454 5.284 5.211
223 HB THR 30 HB THR 30 -1.304 3.744 7.852
224 HG1 THR 30 HG1 THR 30 -3.452 3.959 7.217
225 HG21 THR 30 3HG2 THR 30 -1.168 5.983 8.915
226 HG22 THR 30 1HG2 THR 30 -1.136 6.751 7.327
227 HG23 THR 30 2HG2 THR 30 0.204 5.721 7.838
228 H LEU 31 H LEU 31 0.599 6.004 5.013
229 HA LEU 31 HA LEU 31 2.828 4.207 4.690
230 HB2 LEU 31 1HB LEU 31 2.786 7.259 4.759
231 HB3 LEU 31 2HB LEU 31 4.095 6.254 4.141
232 HG LEU 31 HG LEU 31 1.311 6.541 2.920
233 HD11 LEU 31 1HD1 LEU 31 2.692 8.528 2.551
234 HD12 LEU 31 2HD1 LEU 31 2.436 7.647 1.048
235 HD13 LEU 31 3HD1 LEU 31 3.990 7.532 1.879
236 HD21 LEU 31 3HD2 LEU 31 3.648 4.849 1.991
237 HD22 LEU 31 1HD2 LEU 31 2.175 5.149 1.067
238 HD23 LEU 31 2HD2 LEU 31 2.091 4.275 2.592
239 H LEU 32 H LEU 32 4.260 3.635 6.266
240 HA LEU 32 HA LEU 32 4.149 4.713 8.948
241 HB2 LEU 32 1HB LEU 32 6.087 2.789 7.615
242 HB3 LEU 32 2HB LEU 32 6.121 3.186 9.330
243 HG LEU 32 HG LEU 32 3.827 1.787 7.894
244 HD11 LEU 32 1HD1 LEU 32 5.915 0.647 9.777
245 HD12 LEU 32 2HD1 LEU 32 5.809 0.374 8.035
246 HD13 LEU 32 3HD1 LEU 32 4.539 -0.218 9.092
247 HD21 LEU 32 3HD2 LEU 32 4.177 2.381 10.858
248 HD22 LEU 32 1HD2 LEU 32 2.893 1.396 10.147
249 HD23 LEU 32 2HD2 LEU 32 2.990 3.113 9.773
250 H GLN 33 H GLN 33 6.017 5.257 6.069
251 HA GLN 33 HA GLN 33 7.453 7.511 7.208
252 HB2 GLN 33 1HB GLN 33 8.959 5.677 7.819
253 HB3 GLN 33 2HB GLN 33 8.887 5.004 6.195
254 HG2 GLN 33 1HG GLN 33 10.000 7.154 5.390
255 HG3 GLN 33 2HG GLN 33 10.262 7.553 7.090
256 HE21 GLN 33 2HE2 GLN 33 11.041 5.292 4.511
257 HE22 GLN 33 1HE2 GLN 33 12.498 4.691 5.222
258 H VAL 34 H VAL 34 8.010 8.989 5.617
259 HA VAL 34 HA VAL 34 7.808 8.187 2.772
260 HB VAL 34 HB VAL 34 7.526 10.633 2.243
261 HG11 VAL 34 1HG1 VAL 34 5.138 10.765 2.875
262 HG12 VAL 34 2HG1 VAL 34 5.373 9.480 4.065
263 HG13 VAL 34 3HG1 VAL 34 5.571 9.139 2.343
264 HG21 VAL 34 3HG2 VAL 34 8.491 11.669 4.264
265 HG22 VAL 34 1HG2 VAL 34 7.186 11.008 5.254
266 HG23 VAL 34 2HG2 VAL 34 6.837 12.230 4.027
267 HA PRO 35 HA PRO 35 12.340 8.570 3.624
268 HB2 PRO 35 1HB PRO 35 13.182 6.905 1.599
269 HB3 PRO 35 2HB PRO 35 12.610 6.312 3.166
270 HG2 PRO 35 1HG PRO 35 11.124 6.506 0.553
271 HG3 PRO 35 2HG PRO 35 11.133 5.186 1.740
272 HD2 PRO 35 1HD PRO 35 9.105 7.004 1.605
273 HD3 PRO 35 2HD PRO 35 9.600 6.251 3.137
274 H ASP 36 H ASP 36 10.601 8.990 0.612
275 HA ASP 36 HA ASP 36 11.608 11.549 0.054
276 HB2 ASP 36 1HB ASP 36 13.669 10.405 -0.684
277 HB3 ASP 36 2HB ASP 36 12.740 9.344 -1.736
278 H GLY 37 H GLY 37 10.491 8.594 -1.562
279 HA2 GLY 37 1HA GLY 37 7.881 9.034 -1.964
280 HA3 GLY 37 2HA GLY 37 8.587 10.003 -3.257
281 H GLY 38 H GLY 38 7.016 8.152 -4.182
282 HA2 GLY 38 1HA GLY 38 6.913 6.469 -5.738
283 HA3 GLY 38 2HA GLY 38 8.667 6.407 -5.735
284 H TRP 39 H TRP 39 9.726 5.157 -4.065
285 HA TRP 39 HA TRP 39 8.260 2.823 -3.121
286 HB2 TRP 39 1HB TRP 39 11.181 3.649 -3.018
287 HB3 TRP 39 2HB TRP 39 10.594 2.271 -2.095
288 HD1 TRP 39 HD1 TRP 39 11.339 3.357 -5.699
289 HE1 TRP 39 HE1 TRP 39 11.332 1.257 -7.179
290 HE3 TRP 39 HE3 TRP 39 9.514 -0.033 -2.308
291 HZ2 TRP 39 HZ2 TRP 39 10.636 -1.460 -6.956
292 HZ3 TRP 39 HZ3 TRP 39 9.203 -2.370 -3.028
293 HH2 TRP 39 HH2 TRP 39 9.756 -3.064 -5.309
294 H TRP 40 H TRP 40 6.973 3.214 -1.459
295 HA TRP 40 HA TRP 40 8.065 4.457 1.000
296 HB2 TRP 40 1HB TRP 40 5.162 4.036 0.146
297 HB3 TRP 40 2HB TRP 40 5.670 4.700 1.697
298 HD1 TRP 40 HD1 TRP 40 7.149 7.104 1.474
299 HE1 TRP 40 HE1 TRP 40 6.656 9.088 -0.070
300 HE3 TRP 40 HE3 TRP 40 4.244 4.744 -2.013
301 HZ2 TRP 40 HZ2 TRP 40 5.247 9.611 -2.446
302 HZ3 TRP 40 HZ3 TRP 40 3.358 6.057 -3.895
303 HH2 TRP 40 HH2 TRP 40 3.848 8.445 -4.105
304 H GLU 41 H GLU 41 6.914 3.421 2.981
305 HA GLU 41 HA GLU 41 6.399 0.541 2.648
306 HB2 GLU 41 1HB GLU 41 7.689 0.054 4.760
307 HB3 GLU 41 2HB GLU 41 8.703 0.560 3.417
308 HG2 GLU 41 1HG GLU 41 7.807 2.497 5.569
309 HG3 GLU 41 2HG GLU 41 9.244 1.496 5.761
310 H GLY 42 H GLY 42 4.947 -0.305 4.091
311 HA2 GLY 42 1HA GLY 42 3.688 1.322 6.164
312 HA3 GLY 42 2HA GLY 42 2.695 0.952 4.756
313 H GLU 43 H GLU 43 1.652 0.057 6.972
314 HA GLU 43 HA GLU 43 2.385 -2.791 7.277
315 HB2 GLU 43 1HB GLU 43 0.661 -0.958 8.999
316 HB3 GLU 43 2HB GLU 43 0.753 -2.707 9.238
317 HG2 GLU 43 1HG GLU 43 3.217 -2.481 9.586
318 HG3 GLU 43 2HG GLU 43 3.030 -0.731 9.478
319 H LYS 44 H LYS 44 0.869 -4.372 7.023
320 HA LYS 44 HA LYS 44 -1.549 -3.694 5.456
321 HB2 LYS 44 1HB LYS 44 0.404 -5.042 4.384
322 HB3 LYS 44 2HB LYS 44 -0.077 -6.366 5.434
323 HG2 LYS 44 1HG LYS 44 -1.014 -6.648 3.213
324 HG3 LYS 44 2HG LYS 44 -2.309 -6.385 4.389
325 HD2 LYS 44 1HD LYS 44 -2.581 -4.076 3.674
326 HD3 LYS 44 2HD LYS 44 -1.155 -4.172 2.633
327 HE2 LYS 44 1HE LYS 44 -3.276 -4.324 1.358
328 HE3 LYS 44 2HE LYS 44 -2.285 -5.770 1.176
329 HZ1 LYS 44 3HZ LYS 44 -4.583 -6.351 1.506
330 HZ2 LYS 44 1HZ LYS 44 -4.644 -5.482 2.960
331 HZ3 LYS 44 2HZ LYS 44 -3.679 -6.866 2.836
332 H GLU 45 H GLU 45 -3.499 -4.726 6.044
333 HA GLU 45 HA GLU 45 -3.850 -5.292 8.819
334 HB2 GLU 45 1HB GLU 45 -5.796 -5.633 6.502
335 HB3 GLU 45 2HB GLU 45 -6.237 -5.670 8.210
336 HG2 GLU 45 1HG GLU 45 -5.139 -3.295 6.660
337 HG3 GLU 45 2HG GLU 45 -6.782 -3.496 7.267
338 H ASP 46 H ASP 46 -2.859 -7.281 6.305
339 HA ASP 46 HA ASP 46 -3.763 -9.839 7.222
340 HB2 ASP 46 1HB ASP 46 -1.421 -9.016 5.444
341 HB3 ASP 46 2HB ASP 46 -1.963 -10.682 5.674
342 H GLY 47 H GLY 47 -1.614 -7.648 8.603
343 HA2 GLY 47 1HA GLY 47 -0.412 -7.939 10.603
344 HA3 GLY 47 2HA GLY 47 -0.369 -9.675 10.331
345 H LEU 48 H LEU 48 0.430 -8.923 7.451
346 HA LEU 48 HA LEU 48 3.292 -9.136 7.802
347 HB2 LEU 48 1HB LEU 48 1.609 -9.005 5.258
348 HB3 LEU 48 2HB LEU 48 3.307 -9.462 5.347
349 HG LEU 48 HG LEU 48 1.016 -11.043 6.596
350 HD11 LEU 48 1HD1 LEU 48 0.850 -11.099 4.165
351 HD12 LEU 48 2HD1 LEU 48 1.341 -12.672 4.785
352 HD13 LEU 48 3HD1 LEU 48 2.534 -11.614 4.026
353 HD21 LEU 48 3HD2 LEU 48 3.105 -11.376 7.812
354 HD22 LEU 48 1HD2 LEU 48 3.955 -11.771 6.315
355 HD23 LEU 48 2HD2 LEU 48 2.680 -12.833 6.921
356 H ARG 49 H ARG 49 4.788 -7.726 6.703
357 HA ARG 49 HA ARG 49 3.832 -4.987 6.076
358 HB2 ARG 49 1HB ARG 49 6.482 -5.812 7.358
359 HB3 ARG 49 2HB ARG 49 6.073 -4.174 6.850
360 HG2 ARG 49 1HG ARG 49 4.220 -4.138 8.518
361 HG3 ARG 49 2HG ARG 49 4.676 -5.765 9.038
362 HD2 ARG 49 1HD ARG 49 6.901 -4.908 9.720
363 HD3 ARG 49 2HD ARG 49 6.427 -3.282 9.207
364 HE ARG 49 HE ARG 49 4.863 -4.687 11.284
365 HH11 ARG 49 1HH1 ARG 49 6.867 -1.942 10.386
366 HH12 ARG 49 2HH1 ARG 49 6.634 -1.133 11.900
367 HH21 ARG 49 1HH2 ARG 49 4.580 -3.622 13.246
368 HH22 ARG 49 2HH2 ARG 49 5.342 -2.096 13.526
369 H GLY 50 H GLY 50 5.754 -3.870 4.787
370 HA2 GLY 50 1HA GLY 50 7.364 -4.169 2.977
371 HA3 GLY 50 2HA GLY 50 6.495 -5.631 2.498
372 H TRP 51 H TRP 51 6.961 -3.556 0.667
373 HA TRP 51 HA TRP 51 4.305 -2.674 -0.000
374 HB2 TRP 51 1HB TRP 51 5.898 -0.929 1.634
375 HB3 TRP 51 2HB TRP 51 5.906 -0.211 0.033
376 HD1 TRP 51 HD1 TRP 51 3.265 -1.559 2.555
377 HE1 TRP 51 HE1 TRP 51 1.211 -0.046 2.415
378 HE3 TRP 51 HE3 TRP 51 4.782 1.548 -1.202
379 HZ2 TRP 51 HZ2 TRP 51 0.314 2.165 0.932
380 HZ3 TRP 51 HZ3 TRP 51 3.266 3.344 -1.923
381 HH2 TRP 51 HH2 TRP 51 1.077 3.646 -0.879
382 H PHE 52 H PHE 52 4.485 -0.996 -1.872
383 HA PHE 52 HA PHE 52 6.354 -2.082 -3.914
384 HB2 PHE 52 1HB PHE 52 3.306 -1.828 -4.019
385 HB3 PHE 52 2HB PHE 52 4.269 -1.929 -5.487
386 HD1 PHE 52 HD1 PHE 52 5.744 -3.966 -5.862
387 HD2 PHE 52 HD2 PHE 52 2.740 -3.844 -2.823
388 HE1 PHE 52 HE1 PHE 52 5.786 -6.420 -5.718
389 HE2 PHE 52 HE2 PHE 52 2.791 -6.295 -2.687
390 HZ PHE 52 HZ PHE 52 4.308 -7.587 -4.128
391 HA PRO 53 HA PRO 53 6.899 2.192 -5.295
392 HB2 PRO 53 1HB PRO 53 6.664 2.065 -8.051
393 HB3 PRO 53 2HB PRO 53 8.097 1.524 -7.163
394 HG2 PRO 53 1HG PRO 53 5.773 -0.104 -8.198
395 HG3 PRO 53 2HG PRO 53 7.515 -0.441 -8.323
396 HD2 PRO 53 1HD PRO 53 6.010 -1.662 -6.463
397 HD3 PRO 53 2HD PRO 53 7.670 -1.148 -6.087
398 H ALA 54 H ALA 54 5.868 3.979 -6.564
399 HA ALA 54 HA ALA 54 3.247 4.419 -5.628
400 HB1 ALA 54 3HB ALA 54 4.824 6.048 -7.648
401 HB2 ALA 54 1HB ALA 54 4.922 6.204 -5.894
402 HB3 ALA 54 2HB ALA 54 3.420 6.609 -6.729
403 H SER 55 H SER 55 4.266 2.931 -8.521
404 HA SER 55 HA SER 55 2.244 3.557 -10.370
405 HB2 SER 55 1HB SER 55 2.972 1.328 -11.407
406 HB3 SER 55 2HB SER 55 4.263 2.493 -11.112
407 HG SER 55 HG SER 55 4.856 0.436 -10.373
408 H TYR 56 H TYR 56 2.266 1.320 -7.665
409 HA TYR 56 HA TYR 56 -0.185 -0.068 -8.523
410 HB2 TYR 56 1HB TYR 56 1.738 -0.581 -6.223
411 HB3 TYR 56 2HB TYR 56 0.292 -1.540 -6.530
412 HD1 TYR 56 HD2 TYR 56 0.078 -2.695 -8.848
413 HD2 TYR 56 HD1 TYR 56 3.778 -1.150 -7.352
414 HE1 TYR 56 HE2 TYR 56 1.306 -4.117 -10.420
415 HE2 TYR 56 HE1 TYR 56 4.995 -2.577 -8.946
416 HH TYR 56 HH TYR 56 4.591 -4.720 -10.185
417 H VAL 57 H VAL 57 0.493 2.686 -6.761
418 HA VAL 57 HA VAL 57 -2.042 2.555 -5.241
419 HB VAL 57 HB VAL 57 -0.999 3.694 -3.286
420 HG11 VAL 57 1HG1 VAL 57 0.163 1.742 -2.317
421 HG12 VAL 57 2HG1 VAL 57 0.327 1.028 -3.921
422 HG13 VAL 57 3HG1 VAL 57 -1.276 1.247 -3.215
423 HG21 VAL 57 3HG2 VAL 57 1.478 3.817 -3.051
424 HG22 VAL 57 1HG2 VAL 57 0.905 4.773 -4.421
425 HG23 VAL 57 2HG2 VAL 57 1.663 3.205 -4.696
426 H GLN 58 H GLN 58 -2.431 4.933 -4.276
427 HA GLN 58 HA GLN 58 -1.276 7.097 -5.846
428 HB2 GLN 58 1HB GLN 58 -3.544 6.039 -6.935
429 HB3 GLN 58 2HB GLN 58 -4.307 7.134 -5.792
430 HG2 GLN 58 1HG GLN 58 -2.366 7.893 -8.007
431 HG3 GLN 58 2HG GLN 58 -4.110 8.143 -8.013
432 HE21 GLN 58 2HE2 GLN 58 -4.993 9.742 -6.604
433 HE22 GLN 58 1HE2 GLN 58 -4.017 11.025 -6.000
434 H LEU 59 H LEU 59 -1.061 8.875 -4.592
435 HA LEU 59 HA LEU 59 -1.570 8.802 -1.799
436 HB2 LEU 59 1HB LEU 59 -0.814 11.168 -3.572
437 HB3 LEU 59 2HB LEU 59 -0.719 11.148 -1.816
438 HG LEU 59 HG LEU 59 0.952 9.397 -3.681
439 HD11 LEU 59 1HD1 LEU 59 2.851 10.804 -3.055
440 HD12 LEU 59 2HD1 LEU 59 1.804 11.834 -2.075
441 HD13 LEU 59 3HD1 LEU 59 1.591 11.768 -3.827
442 HD21 LEU 59 3HD2 LEU 59 1.083 9.692 -0.654
443 HD22 LEU 59 1HD2 LEU 59 2.222 8.783 -1.654
444 HD23 LEU 59 2HD2 LEU 59 0.544 8.271 -1.553
445 H LEU 60 H LEU 60 -3.260 9.601 -0.594
446 HA LEU 60 HA LEU 60 -5.645 10.595 -1.921
447 HB2 LEU 60 1HB LEU 60 -5.068 10.102 1.031
448 HB3 LEU 60 2HB LEU 60 -6.635 10.567 0.385
449 HG LEU 60 HG LEU 60 -5.170 7.934 -0.077
450 HD11 LEU 60 1HD1 LEU 60 -7.077 6.907 1.051
451 HD12 LEU 60 2HD1 LEU 60 -7.819 8.489 1.298
452 HD13 LEU 60 3HD1 LEU 60 -6.297 8.092 2.093
453 HD21 LEU 60 3HD2 LEU 60 -7.771 8.858 -1.345
454 HD22 LEU 60 1HD2 LEU 60 -7.113 7.219 -1.422
455 HD23 LEU 60 2HD2 LEU 60 -6.239 8.550 -2.171
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