Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
614306 | 2jr7 RC | 15377 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 1HT MET 1 10.154 11.265 16.792
2 H2 MET 1 2HT MET 1 10.351 10.184 18.112
3 H3 MET 1 3HT MET 1 8.793 10.453 17.443
4 HA MET 1 HA MET 1 9.454 8.416 16.635
5 HB2 MET 1 2HB MET 1 9.703 10.747 14.780
6 HB3 MET 1 1HB MET 1 10.083 9.148 14.156
7 HG2 MET 1 2HG MET 1 7.866 9.317 13.627
8 HG3 MET 1 1HG MET 1 7.783 8.501 15.187
9 HE1 MET 1 2HE MET 1 4.980 10.472 16.551
10 HE2 MET 1 3HE MET 1 6.118 9.162 16.864
11 HE3 MET 1 1HE MET 1 5.197 9.191 15.359
12 H ALA 2 H ALA 2 11.020 6.973 15.842
13 HA ALA 2 HA ALA 2 13.794 7.956 15.812
14 HB1 ALA 2 1HB ALA 2 14.535 6.514 17.387
15 HB2 ALA 2 2HB ALA 2 13.359 5.268 16.963
16 HB3 ALA 2 3HB ALA 2 12.870 6.644 17.951
17 H VAL 3 H VAL 3 11.712 5.143 15.083
18 HA VAL 3 HA VAL 3 13.274 4.754 12.620
19 HB VAL 3 HB VAL 3 12.739 2.275 12.873
20 HG11 VAL 3 1HG1 VAL 3 14.821 1.946 13.686
21 HG12 VAL 3 2HG1 VAL 3 14.547 2.961 15.103
22 HG13 VAL 3 3HG1 VAL 3 14.919 3.701 13.546
23 HG21 VAL 3 3HG2 VAL 3 12.666 2.572 15.802
24 HG22 VAL 3 1HG2 VAL 3 11.845 1.414 14.757
25 HG23 VAL 3 2HG2 VAL 3 11.189 3.038 14.960
26 H PHE 4 H PHE 4 11.994 5.265 10.967
27 HA PHE 4 HA PHE 4 10.218 5.411 9.564
28 HB2 PHE 4 2HB PHE 4 10.049 2.792 10.805
29 HB3 PHE 4 1HB PHE 4 8.463 3.394 10.353
30 HD1 PHE 4 1HD PHE 4 11.813 3.688 8.732
31 HD2 PHE 4 2HD PHE 4 7.791 2.332 8.438
32 HE1 PHE 4 1HE PHE 4 12.225 2.979 6.411
33 HE2 PHE 4 2HE PHE 4 8.196 1.622 6.118
34 HZ PHE 4 HZ PHE 4 10.414 1.942 5.103
35 H HIS 5 H HIS 5 7.673 5.487 9.553
36 HA HIS 5 HA HIS 5 6.931 7.267 11.741
37 HB2 HIS 5 2HB HIS 5 6.531 7.933 9.361
38 HB3 HIS 5 1HB HIS 5 5.386 6.604 9.224
39 HD1 HIS 5 1HD HIS 5 3.081 6.903 10.321
40 HD2 HIS 5 2HD HIS 5 5.633 10.136 10.863
41 HE1 HIS 5 1HE HIS 5 1.638 8.754 11.220
42 HE2 HIS 5 2HE HIS 5 3.224 10.668 11.634
43 H ASP 6 H ASP 6 5.271 4.648 9.961
44 HA ASP 6 HA ASP 6 4.599 3.185 12.291
45 HB2 ASP 6 2HB ASP 6 2.689 5.251 11.371
46 HB3 ASP 6 1HB ASP 6 1.993 3.663 11.676
47 H GLU 7 H GLU 7 3.979 1.136 11.751
48 HA GLU 7 HA GLU 7 3.910 0.489 8.922
49 HB2 GLU 7 2HB GLU 7 3.628 -1.447 11.221
50 HB3 GLU 7 1HB GLU 7 4.129 -1.797 9.574
51 HG2 GLU 7 2HG GLU 7 6.190 -1.757 10.430
52 HG3 GLU 7 1HG GLU 7 6.020 -0.006 10.318
53 H VAL 8 H VAL 8 2.142 -0.069 7.767
54 HA VAL 8 HA VAL 8 -0.373 -0.551 9.220
55 HB VAL 8 HB VAL 8 -0.215 1.089 6.692
56 HG11 VAL 8 1HG1 VAL 8 -2.550 1.726 7.885
57 HG12 VAL 8 2HG1 VAL 8 -2.379 0.048 8.396
58 HG13 VAL 8 3HG1 VAL 8 -2.376 0.451 6.679
59 HG21 VAL 8 3HG2 VAL 8 -1.012 2.865 8.546
60 HG22 VAL 8 1HG2 VAL 8 0.670 2.661 8.058
61 HG23 VAL 8 2HG2 VAL 8 0.076 1.880 9.523
62 H GLU 9 H GLU 9 -1.736 -2.053 8.355
63 HA GLU 9 HA GLU 9 -0.636 -4.012 6.634
64 HB2 GLU 9 2HB GLU 9 -3.320 -3.572 7.889
65 HB3 GLU 9 1HB GLU 9 -3.141 -4.801 6.645
66 HG2 GLU 9 2HG GLU 9 -1.216 -5.703 8.058
67 HG3 GLU 9 1HG GLU 9 -1.840 -4.667 9.341
68 H ILE 10 H ILE 10 -0.983 -4.480 4.521
69 HA ILE 10 HA ILE 10 -1.508 -2.434 2.706
70 HB ILE 10 HB ILE 10 -0.232 -4.485 2.177
71 HG12 ILE 10 2HG1 ILE 10 -1.755 -4.867 -0.071
72 HG13 ILE 10 1HG1 ILE 10 -2.314 -3.292 0.479
73 HG21 ILE 10 1HG2 ILE 10 -1.143 -6.573 1.949
74 HG22 ILE 10 2HG2 ILE 10 -2.757 -5.956 1.603
75 HG23 ILE 10 3HG2 ILE 10 -2.141 -5.934 3.255
76 HD11 ILE 10 3HD1 ILE 10 -0.222 -3.630 -1.140
77 HD12 ILE 10 1HD1 ILE 10 0.605 -3.691 0.415
78 HD13 ILE 10 2HD1 ILE 10 -0.364 -2.282 -0.012
79 H GLU 11 H GLU 11 -3.712 -4.683 4.241
80 HA GLU 11 HA GLU 11 -5.892 -4.492 2.492
81 HB2 GLU 11 2HB GLU 11 -5.782 -4.911 5.481
82 HB3 GLU 11 1HB GLU 11 -7.263 -5.033 4.541
83 HG2 GLU 11 2HG GLU 11 -6.330 -6.857 3.251
84 HG3 GLU 11 1HG GLU 11 -4.798 -6.707 4.111
85 H ASP 12 H ASP 12 -4.714 -2.314 4.976
86 HA ASP 12 HA ASP 12 -7.027 -0.634 5.036
87 HB2 ASP 12 2HB ASP 12 -5.076 -0.897 6.774
88 HB3 ASP 12 1HB ASP 12 -4.292 0.336 5.793
89 H PHE 13 H PHE 13 -4.054 -0.734 3.176
90 HA PHE 13 HA PHE 13 -4.098 1.847 2.076
91 HB2 PHE 13 2HB PHE 13 -2.855 -0.759 1.320
92 HB3 PHE 13 1HB PHE 13 -2.893 0.517 0.111
93 HD1 PHE 13 2HD PHE 13 -2.059 0.158 3.741
94 HD2 PHE 13 1HD PHE 13 -1.034 1.823 -0.040
95 HE1 PHE 13 2HE PHE 13 -0.034 1.148 4.728
96 HE2 PHE 13 1HE PHE 13 0.992 2.812 0.940
97 HZ PHE 13 HZ PHE 13 1.495 2.475 3.326
98 H GLN 14 H GLN 14 -4.346 2.179 -0.395
99 HA GLN 14 HA GLN 14 -6.950 1.067 -1.209
100 HB2 GLN 14 2HB GLN 14 -6.492 3.647 -0.782
101 HB3 GLN 14 1HB GLN 14 -5.867 3.569 -2.423
102 HG2 GLN 14 2HG GLN 14 -8.220 2.304 -2.758
103 HG3 GLN 14 1HG GLN 14 -8.634 3.396 -1.437
104 HE21 GLN 14 1HE2 GLN 14 -7.466 5.678 -1.901
105 HE22 GLN 14 2HE2 GLN 14 -7.879 6.333 -3.445
106 H TYR 15 H TYR 15 -6.618 -0.547 -2.636
107 HA TYR 15 HA TYR 15 -4.342 -0.763 -4.300
108 HB2 TYR 15 2HB TYR 15 -5.639 -2.734 -3.658
109 HB3 TYR 15 1HB TYR 15 -7.038 -2.125 -4.536
110 HD1 TYR 15 2HD TYR 15 -3.424 -2.872 -5.195
111 HD2 TYR 15 1HD TYR 15 -7.430 -3.038 -6.620
112 HE1 TYR 15 2HE TYR 15 -2.649 -4.033 -7.217
113 HE2 TYR 15 1HE TYR 15 -6.667 -4.198 -8.647
114 HH TYR 15 HH TYR 15 -4.521 -5.734 -9.199
115 H ASP 16 H ASP 16 -3.938 -0.089 -6.334
116 HA ASP 16 HA ASP 16 -6.022 1.507 -7.665
117 HB2 ASP 16 2HB ASP 16 -3.695 2.489 -6.878
118 HB3 ASP 16 1HB ASP 16 -3.124 1.762 -8.374
119 H GLU 17 H GLU 17 -7.001 0.049 -8.982
120 HA GLU 17 HA GLU 17 -5.778 -2.065 -10.348
121 HB2 GLU 17 2HB GLU 17 -7.817 -1.848 -11.905
122 HB3 GLU 17 1HB GLU 17 -8.100 -2.216 -10.209
123 HG2 GLU 17 2HG GLU 17 -9.063 -0.197 -9.787
124 HG3 GLU 17 1HG GLU 17 -8.123 0.639 -11.022
125 H ASP 18 H ASP 18 -5.938 1.323 -11.126
126 HA ASP 18 HA ASP 18 -5.628 1.414 -13.843
127 HB2 ASP 18 2HB ASP 18 -5.705 3.331 -12.102
128 HB3 ASP 18 1HB ASP 18 -3.950 3.174 -12.076
129 H SER 19 H SER 19 -2.977 1.083 -11.464
130 HA SER 19 HA SER 19 -1.424 -0.381 -13.445
131 HB2 SER 19 2HB SER 19 -0.859 2.033 -13.773
132 HB3 SER 19 1HB SER 19 -0.284 2.085 -12.107
133 HG SER 19 HG SER 19 1.529 1.342 -12.837
134 H GLU 20 H GLU 20 -2.691 -1.083 -10.925
135 HA GLU 20 HA GLU 20 -2.303 -2.151 -8.958
136 HB2 GLU 20 2HB GLU 20 0.320 -2.932 -10.229
137 HB3 GLU 20 1HB GLU 20 -0.578 -3.817 -9.005
138 HG2 GLU 20 2HG GLU 20 -1.904 -4.795 -10.510
139 HG3 GLU 20 1HG GLU 20 -2.100 -3.314 -11.445
140 H THR 21 H THR 21 -2.089 0.017 -7.945
141 HA THR 21 HA THR 21 0.504 0.212 -6.586
142 HB THR 21 HB THR 21 -0.971 2.666 -7.559
143 HG1 THR 21 1HG THR 21 1.131 1.216 -8.781
144 HG21 THR 21 3HG2 THR 21 1.008 3.876 -7.076
145 HG22 THR 21 1HG2 THR 21 1.903 2.398 -6.723
146 HG23 THR 21 2HG2 THR 21 0.611 2.928 -5.644
147 H TYR 22 H TYR 22 0.402 0.935 -4.445
148 HA TYR 22 HA TYR 22 -2.328 1.166 -3.352
149 HB2 TYR 22 2HB TYR 22 0.163 0.141 -1.975
150 HB3 TYR 22 1HB TYR 22 -1.432 0.265 -1.245
151 HD1 TYR 22 1HD TYR 22 0.471 -1.431 -3.942
152 HD2 TYR 22 2HD TYR 22 -3.004 -1.475 -1.487
153 HE1 TYR 22 1HE TYR 22 -0.058 -3.688 -4.744
154 HE2 TYR 22 2HE TYR 22 -3.543 -3.738 -2.284
155 HH TYR 22 HH TYR 22 -1.817 -5.764 -3.378
156 H PHE 23 H PHE 23 -2.821 2.830 -1.971
157 HA PHE 23 HA PHE 23 -0.670 4.757 -1.390
158 HB2 PHE 23 2HB PHE 23 -3.477 5.463 -2.268
159 HB3 PHE 23 1HB PHE 23 -2.199 6.605 -1.867
160 HD1 PHE 23 1HD PHE 23 -3.048 3.859 -4.224
161 HD2 PHE 23 2HD PHE 23 -0.763 7.380 -3.522
162 HE1 PHE 23 1HE PHE 23 -2.305 3.838 -6.566
163 HE2 PHE 23 2HE PHE 23 -0.018 7.366 -5.866
164 HZ PHE 23 HZ PHE 23 -0.787 5.593 -7.392
165 H TYR 24 H TYR 24 -0.930 6.053 0.484
166 HA TYR 24 HA TYR 24 -3.002 5.119 2.359
167 HB2 TYR 24 2HB TYR 24 -0.604 4.238 2.760
168 HB3 TYR 24 1HB TYR 24 -0.244 5.879 3.289
169 HD1 TYR 24 2HD TYR 24 -2.641 3.087 3.905
170 HD2 TYR 24 1HD TYR 24 -0.613 6.468 5.507
171 HE1 TYR 24 2HE TYR 24 -3.533 2.562 6.130
172 HE2 TYR 24 1HE TYR 24 -1.501 5.948 7.740
173 HH TYR 24 HH TYR 24 -4.002 3.697 8.249
174 HA PRO 25 HA PRO 25 -3.905 9.448 2.767
175 HB2 PRO 25 2HB PRO 25 -5.317 9.356 5.091
176 HB3 PRO 25 1HB PRO 25 -5.978 8.845 3.533
177 HG2 PRO 25 2HG PRO 25 -4.833 7.182 5.745
178 HG3 PRO 25 1HG PRO 25 -6.280 6.893 4.759
179 HD2 PRO 25 2HD PRO 25 -3.930 5.644 4.287
180 HD3 PRO 25 1HD PRO 25 -5.057 6.069 2.985
181 H CYS 26 H CYS 26 -2.528 10.976 3.395
182 HA CYS 26 HA CYS 26 -1.047 10.606 5.906
183 HB2 CYS 26 2HB CYS 26 -0.113 11.167 3.369
184 HB3 CYS 26 1HB CYS 26 -0.127 12.750 4.140
185 HA PRO 27 HA PRO 27 -3.283 13.971 7.718
186 HB2 PRO 27 2HB PRO 27 -1.482 14.742 9.605
187 HB3 PRO 27 1HB PRO 27 -2.475 13.288 9.750
188 HG2 PRO 27 2HG PRO 27 0.374 13.559 8.868
189 HG3 PRO 27 1HG PRO 27 -0.355 12.351 9.940
190 HD2 PRO 27 2HD PRO 27 0.199 11.836 7.346
191 HD3 PRO 27 1HD PRO 27 -1.188 11.107 8.186
192 H CYS 28 H CYS 28 -0.181 14.394 6.219
193 HA CYS 28 HA CYS 28 0.061 17.200 6.594
194 HB2 CYS 28 2HB CYS 28 1.778 17.097 4.867
195 HB3 CYS 28 1HB CYS 28 1.974 15.762 5.996
196 H GLY 29 H GLY 29 -1.593 15.194 4.230
197 HA2 GLY 29 2HA GLY 29 -3.579 16.660 3.375
198 HA3 GLY 29 1HA GLY 29 -2.269 17.548 2.613
199 H ASP 30 H ASP 30 -0.634 15.332 1.925
200 HA ASP 30 HA ASP 30 -2.126 14.355 -0.381
201 HB2 ASP 30 2HB ASP 30 0.394 15.320 -0.161
202 HB3 ASP 30 1HB ASP 30 0.716 13.595 -0.015
203 H ASN 31 H ASN 31 -0.901 11.987 -0.985
204 HA ASN 31 HA ASN 31 -1.343 10.245 1.335
205 HB2 ASN 31 2HB ASN 31 -2.438 9.646 -1.419
206 HB3 ASN 31 1HB ASN 31 -2.701 8.722 0.057
207 HD21 ASN 31 1HD2 ASN 31 -4.594 9.038 0.988
208 HD22 ASN 31 2HD2 ASN 31 -5.568 10.459 0.861
209 H PHE 32 H PHE 32 0.018 8.541 1.502
210 HA PHE 32 HA PHE 32 2.436 8.487 0.074
211 HB2 PHE 32 2HB PHE 32 1.070 6.579 1.947
212 HB3 PHE 32 1HB PHE 32 2.538 6.084 1.114
213 HD1 PHE 32 2HD PHE 32 4.577 7.658 1.348
214 HD2 PHE 32 1HD PHE 32 1.216 7.721 3.958
215 HE1 PHE 32 2HE PHE 32 5.942 8.752 3.077
216 HE2 PHE 32 1HE PHE 32 2.579 8.817 5.689
217 HZ PHE 32 HZ PHE 32 4.945 9.333 5.248
218 H SER 33 H SER 33 3.274 6.572 -1.185
219 HA SER 33 HA SER 33 1.240 5.101 -2.669
220 HB2 SER 33 2HB SER 33 2.194 5.766 -4.858
221 HB3 SER 33 1HB SER 33 1.494 7.131 -3.991
222 HG SER 33 HG SER 33 3.653 7.428 -4.971
223 H ILE 34 H ILE 34 1.894 3.138 -3.395
224 HA ILE 34 HA ILE 34 4.706 2.458 -3.559
225 HB ILE 34 HB ILE 34 4.274 2.077 -1.190
226 HG12 ILE 34 2HG1 ILE 34 4.337 -0.648 -2.467
227 HG13 ILE 34 1HG1 ILE 34 5.673 0.479 -2.671
228 HG21 ILE 34 1HG2 ILE 34 1.742 1.474 -1.864
229 HG22 ILE 34 2HG2 ILE 34 2.477 1.025 -0.325
230 HG23 ILE 34 3HG2 ILE 34 2.394 -0.149 -1.639
231 HD11 ILE 34 3HD1 ILE 34 4.786 0.065 0.097
232 HD12 ILE 34 1HD1 ILE 34 6.412 0.178 -0.578
233 HD13 ILE 34 2HD1 ILE 34 5.510 -1.332 -0.698
234 H THR 35 H THR 35 4.984 1.182 -5.279
235 HA THR 35 HA THR 35 2.761 0.145 -6.738
236 HB THR 35 HB THR 35 4.736 -0.980 -8.061
237 HG1 THR 35 1HG THR 35 6.655 -0.515 -7.370
238 HG21 THR 35 3HG2 THR 35 5.236 1.089 -9.234
239 HG22 THR 35 1HG2 THR 35 4.492 2.018 -7.931
240 HG23 THR 35 2HG2 THR 35 3.507 0.938 -8.918
241 H LYS 36 H LYS 36 2.263 -2.030 -7.235
242 HA LYS 36 HA LYS 36 2.296 -3.819 -5.071
243 HB2 LYS 36 2HB LYS 36 0.615 -3.909 -6.863
244 HB3 LYS 36 1HB LYS 36 1.851 -4.414 -8.005
245 HG2 LYS 36 2HG LYS 36 1.022 -6.454 -7.518
246 HG3 LYS 36 1HG LYS 36 2.165 -6.339 -6.181
247 HD2 LYS 36 2HD LYS 36 0.425 -5.612 -4.687
248 HD3 LYS 36 1HD LYS 36 -0.733 -5.526 -6.017
249 HE2 LYS 36 2HE LYS 36 0.651 -8.059 -5.148
250 HE3 LYS 36 1HE LYS 36 -0.937 -7.559 -4.566
251 HZ1 LYS 36 3HZ LYS 36 -1.602 -7.486 -6.985
252 HZ2 LYS 36 1HZ LYS 36 -1.326 -9.026 -6.341
253 HZ3 LYS 36 2HZ LYS 36 -0.161 -8.300 -7.327
254 H GLU 37 H GLU 37 4.388 -3.548 -7.903
255 HA GLU 37 HA GLU 37 5.805 -5.950 -7.612
256 HB2 GLU 37 2HB GLU 37 5.812 -4.208 -9.541
257 HB3 GLU 37 1HB GLU 37 7.096 -3.435 -8.624
258 HG2 GLU 37 2HG GLU 37 7.916 -6.043 -8.688
259 HG3 GLU 37 1HG GLU 37 7.144 -5.850 -10.260
260 H ASP 38 H ASP 38 6.271 -2.768 -6.140
261 HA ASP 38 HA ASP 38 8.787 -3.158 -4.994
262 HB2 ASP 38 2HB ASP 38 6.445 -1.407 -4.393
263 HB3 ASP 38 1HB ASP 38 7.680 -1.568 -3.149
264 H LEU 39 H LEU 39 5.558 -3.833 -3.670
265 HA LEU 39 HA LEU 39 6.455 -4.854 -1.192
266 HB2 LEU 39 2HB LEU 39 3.905 -5.570 -2.635
267 HB3 LEU 39 1HB LEU 39 4.214 -5.703 -0.914
268 HG LEU 39 HG LEU 39 4.422 -3.014 -2.191
269 HD11 LEU 39 1HD1 LEU 39 1.826 -4.359 -1.469
270 HD12 LEU 39 2HD1 LEU 39 2.342 -3.870 -3.082
271 HD13 LEU 39 3HD1 LEU 39 2.023 -2.648 -1.850
272 HD21 LEU 39 3HD2 LEU 39 3.294 -3.843 0.472
273 HD22 LEU 39 1HD2 LEU 39 3.802 -2.234 -0.041
274 HD23 LEU 39 2HD2 LEU 39 5.004 -3.500 0.207
275 H GLU 40 H GLU 40 5.889 -6.361 -4.337
276 HA GLU 40 HA GLU 40 6.085 -9.052 -3.482
277 HB2 GLU 40 2HB GLU 40 6.617 -7.777 -6.165
278 HB3 GLU 40 1HB GLU 40 6.625 -9.515 -5.894
279 HG2 GLU 40 2HG GLU 40 4.285 -9.396 -5.166
280 HG3 GLU 40 1HG GLU 40 4.287 -7.664 -5.487
281 H ASN 41 H ASN 41 8.500 -6.628 -4.214
282 HA ASN 41 HA ASN 41 10.652 -8.590 -4.245
283 HB2 ASN 41 2HB ASN 41 10.374 -5.724 -4.955
284 HB3 ASN 41 1HB ASN 41 11.951 -6.240 -4.365
285 HD21 ASN 41 1HD2 ASN 41 11.967 -5.333 -6.812
286 HD22 ASN 41 2HD2 ASN 41 12.069 -6.599 -7.982
287 H GLY 42 H GLY 42 9.377 -6.045 -2.163
288 HA2 GLY 42 2HA GLY 42 9.890 -6.805 0.274
289 HA3 GLY 42 1HA GLY 42 11.544 -6.509 -0.239
290 H GLU 43 H GLU 43 10.172 -4.251 -1.977
291 HA GLU 43 HA GLU 43 10.829 -2.133 -0.222
292 HB2 GLU 43 2HB GLU 43 9.561 -2.276 -2.944
293 HB3 GLU 43 1HB GLU 43 9.647 -0.748 -2.081
294 HG2 GLU 43 2HG GLU 43 11.961 -2.480 -2.908
295 HG3 GLU 43 1HG GLU 43 11.493 -0.931 -3.606
296 H ASP 44 H ASP 44 9.478 -2.681 1.587
297 HA ASP 44 HA ASP 44 6.609 -2.171 1.285
298 HB2 ASP 44 2HB ASP 44 6.566 -2.871 3.740
299 HB3 ASP 44 1HB ASP 44 6.992 -4.115 2.573
300 H VAL 45 H VAL 45 8.309 0.032 0.904
301 HA VAL 45 HA VAL 45 7.611 1.655 3.251
302 HB VAL 45 HB VAL 45 10.031 1.332 3.209
303 HG11 VAL 45 1HG1 VAL 45 10.449 2.937 0.775
304 HG12 VAL 45 2HG1 VAL 45 9.869 1.293 0.516
305 HG13 VAL 45 3HG1 VAL 45 11.364 1.567 1.407
306 HG21 VAL 45 3HG2 VAL 45 9.124 3.431 4.054
307 HG22 VAL 45 1HG2 VAL 45 9.215 4.131 2.438
308 HG23 VAL 45 2HG2 VAL 45 10.693 3.681 3.289
309 H ALA 46 H ALA 46 6.533 3.488 2.884
310 HA ALA 46 HA ALA 46 6.121 4.292 0.081
311 HB1 ALA 46 1HB ALA 46 4.208 3.509 1.869
312 HB2 ALA 46 2HB ALA 46 3.923 4.514 0.450
313 HB3 ALA 46 3HB ALA 46 4.165 5.265 2.027
314 H THR 47 H THR 47 6.533 6.356 -0.502
315 HA THR 47 HA THR 47 7.376 8.207 1.628
316 HB THR 47 HB THR 47 8.447 8.437 -1.160
317 HG1 THR 47 1HG THR 47 9.381 6.626 0.816
318 HG21 THR 47 3HG2 THR 47 10.262 8.754 1.087
319 HG22 THR 47 1HG2 THR 47 8.900 9.874 1.126
320 HG23 THR 47 2HG2 THR 47 9.955 9.815 -0.288
321 H CYS 48 H CYS 48 6.451 10.161 1.697
322 HA CYS 48 HA CYS 48 4.335 10.737 -0.205
323 HB2 CYS 48 2HB CYS 48 4.533 11.115 2.497
324 HB3 CYS 48 1HB CYS 48 4.903 12.725 1.893
325 HA PRO 49 HA PRO 49 6.855 13.566 -2.519
326 HB2 PRO 49 2HB PRO 49 4.926 14.748 -3.984
327 HB3 PRO 49 1HB PRO 49 5.439 13.080 -4.266
328 HG2 PRO 49 2HG PRO 49 3.043 14.103 -2.796
329 HG3 PRO 49 1HG PRO 49 3.167 12.740 -3.919
330 HD2 PRO 49 2HD PRO 49 3.137 12.466 -1.200
331 HD3 PRO 49 1HD PRO 49 3.925 11.313 -2.298
332 H SER 50 H SER 50 4.676 14.505 -0.101
333 HA SER 50 HA SER 50 5.343 17.346 -0.444
334 HB2 SER 50 2HB SER 50 3.034 15.976 0.928
335 HB3 SER 50 1HB SER 50 3.428 17.668 1.231
336 HG SER 50 HG SER 50 2.590 16.447 -1.173
337 H CYS 51 H CYS 51 4.575 15.218 2.338
338 HA CYS 51 HA CYS 51 6.299 16.713 4.065
339 HB2 CYS 51 2HB CYS 51 5.700 15.108 5.780
340 HB3 CYS 51 1HB CYS 51 4.261 15.583 4.885
341 H SER 52 H SER 52 6.689 13.871 2.088
342 HA SER 52 HA SER 52 8.496 12.598 1.570
343 HB2 SER 52 2HB SER 52 10.180 14.594 3.093
344 HB3 SER 52 1HB SER 52 10.694 13.523 1.792
345 HG SER 52 HG SER 52 9.541 15.980 1.657
346 H LEU 53 H LEU 53 6.994 11.890 3.810
347 HA LEU 53 HA LEU 53 8.903 11.080 5.865
348 HB2 LEU 53 2HB LEU 53 5.924 11.174 5.657
349 HB3 LEU 53 1HB LEU 53 6.649 10.056 6.795
350 HG LEU 53 HG LEU 53 7.404 12.958 6.832
351 HD11 LEU 53 1HD1 LEU 53 4.813 12.324 7.003
352 HD12 LEU 53 2HD1 LEU 53 5.553 13.616 7.948
353 HD13 LEU 53 3HD1 LEU 53 5.289 12.031 8.676
354 HD21 LEU 53 3HD2 LEU 53 8.789 11.495 8.143
355 HD22 LEU 53 1HD2 LEU 53 7.374 10.749 8.885
356 HD23 LEU 53 2HD2 LEU 53 7.767 12.432 9.233
357 H ILE 54 H ILE 54 8.217 8.732 6.763
358 HA ILE 54 HA ILE 54 8.116 6.895 4.461
359 HB ILE 54 HB ILE 54 9.704 5.409 5.765
360 HG12 ILE 54 2HG1 ILE 54 10.201 7.994 7.265
361 HG13 ILE 54 1HG1 ILE 54 9.514 6.522 7.943
362 HG21 ILE 54 1HG2 ILE 54 11.707 6.587 4.973
363 HG22 ILE 54 2HG2 ILE 54 10.748 8.049 4.746
364 HG23 ILE 54 3HG2 ILE 54 10.409 6.614 3.778
365 HD11 ILE 54 3HD1 ILE 54 11.694 6.392 8.638
366 HD12 ILE 54 1HD1 ILE 54 12.322 7.122 7.161
367 HD13 ILE 54 2HD1 ILE 54 11.750 5.454 7.146
368 H ILE 55 H ILE 55 7.012 4.978 4.768
369 HA ILE 55 HA ILE 55 5.947 4.371 7.419
370 HB ILE 55 HB ILE 55 3.662 4.008 6.516
371 HG12 ILE 55 2HG1 ILE 55 4.307 5.784 4.198
372 HG13 ILE 55 1HG1 ILE 55 4.659 4.066 4.065
373 HG21 ILE 55 1HG2 ILE 55 4.123 5.996 7.794
374 HG22 ILE 55 2HG2 ILE 55 3.018 6.390 6.478
375 HG23 ILE 55 3HG2 ILE 55 4.722 6.824 6.357
376 HD11 ILE 55 3HD1 ILE 55 2.184 3.820 4.893
377 HD12 ILE 55 1HD1 ILE 55 2.555 4.133 3.198
378 HD13 ILE 55 2HD1 ILE 55 2.045 5.454 4.247
379 H LYS 56 H LYS 56 5.493 2.209 7.758
380 HA LYS 56 HA LYS 56 6.590 0.408 5.747
381 HB2 LYS 56 2HB LYS 56 6.863 0.474 8.466
382 HB3 LYS 56 1HB LYS 56 5.618 -0.753 8.268
383 HG2 LYS 56 2HG LYS 56 8.218 -0.818 6.766
384 HG3 LYS 56 1HG LYS 56 8.000 -1.569 8.347
385 HD2 LYS 56 2HD LYS 56 5.960 -2.729 7.230
386 HD3 LYS 56 1HD LYS 56 6.758 -2.285 5.719
387 HE2 LYS 56 2HE LYS 56 8.790 -3.447 6.470
388 HE3 LYS 56 1HE LYS 56 7.954 -3.928 7.946
389 HZ1 LYS 56 3HZ LYS 56 8.064 -5.423 5.740
390 HZ2 LYS 56 1HZ LYS 56 6.602 -4.613 5.471
391 HZ3 LYS 56 2HZ LYS 56 6.816 -5.528 6.878
392 H VAL 57 H VAL 57 5.536 -1.074 4.656
393 HA VAL 57 HA VAL 57 2.619 -1.162 4.992
394 HB VAL 57 HB VAL 57 3.805 -2.209 2.484
395 HG11 VAL 57 1HG1 VAL 57 1.414 -2.160 2.813
396 HG12 VAL 57 2HG1 VAL 57 1.849 -1.003 1.554
397 HG13 VAL 57 3HG1 VAL 57 1.472 -0.438 3.181
398 HG21 VAL 57 3HG2 VAL 57 3.630 0.368 1.746
399 HG22 VAL 57 1HG2 VAL 57 5.139 -0.393 2.243
400 HG23 VAL 57 2HG2 VAL 57 4.221 0.578 3.394
401 H ILE 58 H ILE 58 1.914 -2.930 5.976
402 HA ILE 58 HA ILE 58 3.501 -5.381 5.901
403 HB ILE 58 HB ILE 58 0.958 -4.883 7.450
404 HG12 ILE 58 2HG1 ILE 58 2.673 -3.230 8.077
405 HG13 ILE 58 1HG1 ILE 58 2.381 -4.378 9.380
406 HG21 ILE 58 1HG2 ILE 58 1.511 -6.792 8.711
407 HG22 ILE 58 2HG2 ILE 58 3.147 -6.852 8.057
408 HG23 ILE 58 3HG2 ILE 58 1.771 -7.251 7.028
409 HD11 ILE 58 3HD1 ILE 58 4.686 -4.505 7.448
410 HD12 ILE 58 1HD1 ILE 58 4.410 -5.566 8.829
411 HD13 ILE 58 2HD1 ILE 58 4.758 -3.856 9.086
412 H TYR 59 H TYR 59 2.904 -7.212 4.866
413 HA TYR 59 HA TYR 59 0.206 -7.608 3.904
414 HB2 TYR 59 2HB TYR 59 1.030 -7.886 1.508
415 HB3 TYR 59 1HB TYR 59 0.932 -6.230 2.100
416 HD1 TYR 59 2HD TYR 59 2.979 -4.992 2.661
417 HD2 TYR 59 1HD TYR 59 3.151 -8.884 0.950
418 HE1 TYR 59 2HE TYR 59 5.338 -4.640 2.107
419 HE2 TYR 59 1HE TYR 59 5.517 -8.544 0.395
420 HH TYR 59 HH TYR 59 7.366 -7.205 0.916
421 H ASP 60 H ASP 60 0.264 -9.657 2.354
422 HA ASP 60 HA ASP 60 1.693 -11.708 3.851
423 HB2 ASP 60 2HB ASP 60 -0.824 -11.762 3.126
424 HB3 ASP 60 1HB ASP 60 -0.179 -12.294 1.577
425 H LYS 61 H LYS 61 3.754 -11.949 3.188
426 HA LYS 61 HA LYS 61 4.728 -11.452 0.603
427 HB2 LYS 61 2HB LYS 61 5.829 -13.167 2.829
428 HB3 LYS 61 1HB LYS 61 6.702 -12.847 1.337
429 HG2 LYS 61 2HG LYS 61 5.694 -10.478 2.771
430 HG3 LYS 61 1HG LYS 61 6.973 -11.391 3.574
431 HD2 LYS 61 2HD LYS 61 7.978 -11.282 1.077
432 HD3 LYS 61 1HD LYS 61 7.051 -9.780 1.094
433 HE2 LYS 61 2HE LYS 61 9.376 -9.440 1.809
434 HE3 LYS 61 1HE LYS 61 8.225 -9.045 3.085
435 HZ1 LYS 61 3HZ LYS 61 8.852 -10.838 4.332
436 HZ2 LYS 61 1HZ LYS 61 10.327 -10.490 3.580
437 HZ3 LYS 61 2HZ LYS 61 9.360 -11.752 3.003
438 H ASP 62 H ASP 62 3.317 -14.325 2.041
439 HA ASP 62 HA ASP 62 4.124 -16.190 0.074
440 HB2 ASP 62 2HB ASP 62 2.916 -16.455 2.450
441 HB3 ASP 62 1HB ASP 62 1.492 -16.546 1.419
442 H GLN 63 H GLN 63 1.422 -13.946 0.291
443 HA GLN 63 HA GLN 63 0.086 -14.987 -2.040
444 HB2 GLN 63 2HB GLN 63 -0.330 -12.548 -0.321
445 HB3 GLN 63 1HB GLN 63 -1.266 -12.829 -1.783
446 HG2 GLN 63 2HG GLN 63 -1.191 -15.100 0.066
447 HG3 GLN 63 1HG GLN 63 -1.965 -13.653 0.707
448 HE21 GLN 63 1HE2 GLN 63 -3.688 -12.694 -0.608
449 HE22 GLN 63 2HE2 GLN 63 -4.690 -13.739 -1.550
450 H PHE 64 H PHE 64 1.997 -12.076 -1.283
451 HA PHE 64 HA PHE 64 1.855 -10.916 -3.847
452 HB2 PHE 64 2HB PHE 64 3.636 -10.563 -1.471
453 HB3 PHE 64 1HB PHE 64 4.114 -9.835 -3.001
454 HD1 PHE 64 2HD PHE 64 1.248 -10.039 -0.637
455 HD2 PHE 64 1HD PHE 64 3.273 -7.761 -3.607
456 HE1 PHE 64 2HE PHE 64 -0.256 -8.144 -0.201
457 HE2 PHE 64 1HE PHE 64 1.772 -5.862 -3.176
458 HZ PHE 64 HZ PHE 64 0.004 -6.052 -1.472
459 H VAL 65 H VAL 65 4.237 -13.120 -2.398
460 HA VAL 65 HA VAL 65 5.822 -13.186 -4.830
461 HB VAL 65 HB VAL 65 6.108 -14.926 -2.371
462 HG11 VAL 65 1HG1 VAL 65 8.438 -14.235 -4.037
463 HG12 VAL 65 2HG1 VAL 65 7.249 -15.297 -4.787
464 HG13 VAL 65 3HG1 VAL 65 8.004 -15.759 -3.264
465 HG21 VAL 65 3HG2 VAL 65 6.248 -12.399 -2.003
466 HG22 VAL 65 1HG2 VAL 65 7.731 -12.465 -2.954
467 HG23 VAL 65 2HG2 VAL 65 7.608 -13.374 -1.448
468 H SER 66 H SER 66 4.199 -13.962 -6.272
469 HA SER 66 HA SER 66 3.522 -16.809 -5.912
470 HB2 SER 66 2HB SER 66 2.022 -14.502 -7.057
471 HB3 SER 66 1HB SER 66 1.779 -16.082 -7.798
472 HG SER 66 HG SER 66 0.404 -15.402 -5.905
473 H GLY 67 H GLY 67 5.323 -17.723 -6.879
474 HA2 GLY 67 2HA GLY 67 6.392 -16.821 -9.364
475 HA3 GLY 67 1HA GLY 67 6.766 -18.340 -8.565
476 H GLU 68 H GLU 68 4.724 -19.892 -8.612
477 HA GLU 68 HA GLU 68 3.645 -19.850 -11.355
478 HB2 GLU 68 2HB GLU 68 5.025 -22.027 -9.851
479 HB3 GLU 68 1HB GLU 68 3.731 -22.472 -10.954
480 HG2 GLU 68 2HG GLU 68 4.871 -21.634 -12.819
481 HG3 GLU 68 1HG GLU 68 6.003 -20.723 -11.822
482 H THR 69 H THR 69 2.341 -18.837 -9.009
483 HA THR 69 HA THR 69 -0.021 -20.568 -9.025
484 HB THR 69 HB THR 69 1.139 -19.369 -6.499
485 HG1 THR 69 1HG THR 69 1.153 -22.024 -7.486
486 HG21 THR 69 3HG2 THR 69 -0.563 -21.293 -5.679
487 HG22 THR 69 1HG2 THR 69 -1.416 -20.675 -7.093
488 HG23 THR 69 2HG2 THR 69 -0.968 -19.580 -5.785
489 H VAL 70 H VAL 70 -1.381 -19.233 -10.109
490 HA VAL 70 HA VAL 70 -1.402 -16.384 -9.556
491 HB VAL 70 HB VAL 70 -1.636 -17.144 -11.873
492 HG11 VAL 70 1HG1 VAL 70 -3.145 -18.637 -12.616
493 HG12 VAL 70 2HG1 VAL 70 -4.424 -18.021 -11.571
494 HG13 VAL 70 3HG1 VAL 70 -3.216 -19.130 -10.925
495 HG21 VAL 70 3HG2 VAL 70 -3.568 -15.420 -10.511
496 HG22 VAL 70 1HG2 VAL 70 -4.102 -15.992 -12.091
497 HG23 VAL 70 2HG2 VAL 70 -2.580 -15.113 -11.938
498 HA PRO 71 HA PRO 71 -4.420 -16.930 -6.272
499 HB2 PRO 71 2HB PRO 71 -4.573 -13.978 -6.529
500 HB3 PRO 71 1HB PRO 71 -4.240 -14.968 -5.105
501 HG2 PRO 71 2HG PRO 71 -2.293 -13.596 -6.301
502 HG3 PRO 71 1HG PRO 71 -1.995 -15.215 -5.639
503 HD2 PRO 71 2HD PRO 71 -2.423 -14.373 -8.481
504 HD3 PRO 71 1HD PRO 71 -1.279 -15.559 -7.817
505 H ALA 72 H ALA 72 -6.672 -15.978 -5.832
506 HA ALA 72 HA ALA 72 -8.109 -15.613 -8.379
507 HB1 ALA 72 1HB ALA 72 -9.596 -17.231 -7.896
508 HB2 ALA 72 2HB ALA 72 -9.584 -16.884 -6.167
509 HB3 ALA 72 3HB ALA 72 -8.288 -17.842 -6.884
510 HA PRO 73 HA PRO 73 -10.045 -12.006 -6.722
511 HB2 PRO 73 2HB PRO 73 -12.476 -12.092 -7.913
512 HB3 PRO 73 1HB PRO 73 -10.992 -11.728 -8.802
513 HG2 PRO 73 2HG PRO 73 -12.485 -14.317 -8.587
514 HG3 PRO 73 1HG PRO 73 -11.778 -13.550 -10.022
515 HD2 PRO 73 2HD PRO 73 -10.550 -15.565 -8.702
516 HD3 PRO 73 1HD PRO 73 -9.648 -14.269 -9.514
517 H SER 74 H SER 74 -11.575 -11.237 -5.221
518 HA SER 74 HA SER 74 -13.484 -13.112 -4.083
519 HB2 SER 74 2HB SER 74 -11.374 -11.802 -2.352
520 HB3 SER 74 1HB SER 74 -12.648 -12.893 -1.812
521 HG SER 74 HG SER 74 -10.231 -13.531 -2.636
522 H ALA 75 H ALA 75 -15.104 -11.728 -4.789
523 HA ALA 75 HA ALA 75 -16.625 -10.045 -4.639
524 HB1 ALA 75 1HB ALA 75 -16.545 -8.678 -2.460
525 HB2 ALA 75 2HB ALA 75 -15.264 -9.788 -1.979
526 HB3 ALA 75 3HB ALA 75 -16.872 -10.406 -2.350
527 H ASN 76 H ASN 76 -16.735 -7.492 -4.116
528 HA ASN 76 HA ASN 76 -14.294 -6.228 -5.149
529 HB2 ASN 76 2HB ASN 76 -15.613 -4.842 -6.681
530 HB3 ASN 76 1HB ASN 76 -15.796 -6.552 -7.053
531 HD21 ASN 76 1HD2 ASN 76 -17.549 -4.461 -7.848
532 HD22 ASN 76 2HD2 ASN 76 -19.088 -4.770 -7.128
533 H LYS 77 H LYS 77 -14.100 -3.958 -4.704
534 HA LYS 77 HA LYS 77 -15.875 -2.973 -2.573
535 HB2 LYS 77 2HB LYS 77 -13.777 -1.937 -1.550
536 HB3 LYS 77 1HB LYS 77 -13.992 -3.669 -1.346
537 HG2 LYS 77 2HG LYS 77 -12.191 -4.181 -2.612
538 HG3 LYS 77 1HG LYS 77 -12.432 -2.816 -3.706
539 HD2 LYS 77 2HD LYS 77 -11.681 -2.137 -0.932
540 HD3 LYS 77 1HD LYS 77 -10.443 -2.951 -1.891
541 HE2 LYS 77 2HE LYS 77 -10.494 -1.252 -3.553
542 HE3 LYS 77 1HE LYS 77 -11.943 -0.526 -2.860
543 HZ1 LYS 77 3HZ LYS 77 -9.624 0.504 -2.393
544 HZ2 LYS 77 1HZ LYS 77 -9.506 -0.713 -1.223
545 HZ3 LYS 77 2HZ LYS 77 -10.764 0.414 -1.149
546 H GLU 78 H GLU 78 -16.633 -0.986 -2.924
547 HA GLU 78 HA GLU 78 -15.111 0.823 -4.670
548 HB2 GLU 78 2HB GLU 78 -17.268 -0.442 -5.634
549 HB3 GLU 78 1HB GLU 78 -18.078 0.907 -4.851
550 HG2 GLU 78 2HG GLU 78 -17.086 2.478 -6.233
551 HG3 GLU 78 1HG GLU 78 -15.781 1.390 -6.700
552 H LEU 79 H LEU 79 -14.421 1.890 -2.758
553 HA LEU 79 HA LEU 79 -16.484 3.648 -1.614
554 HB2 LEU 79 2HB LEU 79 -15.436 3.479 0.588
555 HB3 LEU 79 1HB LEU 79 -16.033 1.926 0.038
556 HG LEU 79 HG LEU 79 -13.170 2.561 -0.475
557 HD11 LEU 79 1HD1 LEU 79 -12.431 2.247 1.677
558 HD12 LEU 79 2HD1 LEU 79 -13.917 1.443 2.186
559 HD13 LEU 79 3HD1 LEU 79 -13.895 3.191 1.955
560 HD21 LEU 79 3HD2 LEU 79 -12.909 0.280 -0.501
561 HD22 LEU 79 1HD2 LEU 79 -14.570 0.425 -1.071
562 HD23 LEU 79 2HD2 LEU 79 -14.248 0.002 0.610
563 H VAL 80 H VAL 80 -14.620 4.144 -3.759
564 HA VAL 80 HA VAL 80 -12.494 5.768 -2.670
565 HB VAL 80 HB VAL 80 -13.384 5.592 -5.552
566 HG11 VAL 80 1HG1 VAL 80 -11.063 6.782 -4.130
567 HG12 VAL 80 2HG1 VAL 80 -11.942 7.358 -5.547
568 HG13 VAL 80 3HG1 VAL 80 -10.776 6.044 -5.706
569 HG21 VAL 80 3HG2 VAL 80 -12.840 3.407 -5.291
570 HG22 VAL 80 1HG2 VAL 80 -11.835 3.711 -3.873
571 HG23 VAL 80 2HG2 VAL 80 -11.204 4.035 -5.487
572 H LYS 81 H LYS 81 -13.766 7.265 -1.451
573 HA LYS 81 HA LYS 81 -14.723 9.500 -3.082
574 HB2 LYS 81 2HB LYS 81 -16.325 7.951 -1.093
575 HB3 LYS 81 1HB LYS 81 -16.572 9.687 -1.186
576 HG2 LYS 81 2HG LYS 81 -16.870 9.282 -3.718
577 HG3 LYS 81 1HG LYS 81 -17.107 7.595 -3.252
578 HD2 LYS 81 2HD LYS 81 -19.085 8.022 -2.186
579 HD3 LYS 81 1HD LYS 81 -18.627 9.672 -1.764
580 HE2 LYS 81 2HE LYS 81 -20.131 10.172 -3.381
581 HE3 LYS 81 1HE LYS 81 -18.729 9.931 -4.423
582 HZ1 LYS 81 3HZ LYS 81 -19.548 7.497 -4.475
583 HZ2 LYS 81 1HZ LYS 81 -20.343 8.649 -5.427
584 HZ3 LYS 81 2HZ LYS 81 -21.026 8.144 -3.965
585 H LEU 82 H LEU 82 -12.277 9.121 -1.618
586 HA LEU 82 HA LEU 82 -12.554 10.772 0.770
587 HB2 LEU 82 2HB LEU 82 -11.043 8.653 0.462
588 HB3 LEU 82 1HB LEU 82 -9.935 9.785 -0.289
589 HG LEU 82 HG LEU 82 -11.011 10.469 2.406
590 HD11 LEU 82 1HD1 LEU 82 -10.416 8.376 3.078
591 HD12 LEU 82 2HD1 LEU 82 -8.847 9.172 3.193
592 HD13 LEU 82 3HD1 LEU 82 -9.229 8.175 1.789
593 HD21 LEU 82 3HD2 LEU 82 -9.596 12.067 1.282
594 HD22 LEU 82 1HD2 LEU 82 -8.360 10.837 1.014
595 HD23 LEU 82 2HD2 LEU 82 -8.724 11.380 2.652
596 H GLU 83 H GLU 83 -12.888 12.854 0.170
597 HA GLU 83 HA GLU 83 -11.050 14.049 -1.787
598 HB2 GLU 83 2HB GLU 83 -13.741 14.223 -1.710
599 HB3 GLU 83 1HB GLU 83 -13.327 15.634 -0.749
600 HG2 GLU 83 2HG GLU 83 -12.561 16.780 -2.516
601 HG3 GLU 83 1HG GLU 83 -11.802 15.363 -3.239
602 H HIS 84 H HIS 84 -9.774 15.779 -1.288
603 HA HIS 84 HA HIS 84 -9.561 16.439 1.572
604 HB2 HIS 84 2HB HIS 84 -7.233 17.149 1.029
605 HB3 HIS 84 1HB HIS 84 -7.530 15.444 0.720
606 HD1 HIS 84 1HD HIS 84 -6.733 18.659 -0.992
607 HD2 HIS 84 2HD HIS 84 -7.454 14.690 -1.993
608 HE1 HIS 84 1HE HIS 84 -6.021 18.431 -3.394
609 HE2 HIS 84 2HE HIS 84 -6.565 16.047 -4.006
Start of MODEL 2
1 H1 MET 1 1HT MET 1 12.962 11.741 8.504
2 H2 MET 1 2HT MET 1 13.791 10.875 9.731
3 H3 MET 1 3HT MET 1 12.824 10.035 8.589
4 HA MET 1 HA MET 1 14.330 11.019 6.856
5 HB2 MET 1 2HB MET 1 15.281 12.520 8.801
6 HB3 MET 1 1HB MET 1 16.324 11.133 9.089
7 HG2 MET 1 2HG MET 1 16.168 12.029 6.294
8 HG3 MET 1 1HG MET 1 16.907 13.170 7.416
9 HE1 MET 1 2HE MET 1 20.133 11.837 5.926
10 HE2 MET 1 3HE MET 1 18.918 13.113 5.959
11 HE3 MET 1 1HE MET 1 18.700 11.715 4.906
12 H ALA 2 H ALA 2 14.770 9.013 9.752
13 HA ALA 2 HA ALA 2 15.750 6.857 8.002
14 HB1 ALA 2 1HB ALA 2 16.871 7.844 10.578
15 HB2 ALA 2 2HB ALA 2 17.699 7.315 9.113
16 HB3 ALA 2 3HB ALA 2 16.985 6.125 10.202
17 H VAL 3 H VAL 3 14.511 7.378 11.326
18 HA VAL 3 HA VAL 3 13.452 4.778 11.608
19 HB VAL 3 HB VAL 3 12.102 5.746 13.488
20 HG11 VAL 3 1HG1 VAL 3 14.245 6.569 14.734
21 HG12 VAL 3 2HG1 VAL 3 15.062 6.041 13.263
22 HG13 VAL 3 3HG1 VAL 3 14.113 4.891 14.205
23 HG21 VAL 3 3HG2 VAL 3 12.056 7.979 14.000
24 HG22 VAL 3 1HG2 VAL 3 12.127 8.075 12.241
25 HG23 VAL 3 2HG2 VAL 3 13.590 8.311 13.197
26 H PHE 4 H PHE 4 11.447 3.918 11.261
27 HA PHE 4 HA PHE 4 9.800 5.200 9.292
28 HB2 PHE 4 2HB PHE 4 9.890 2.541 10.617
29 HB3 PHE 4 1HB PHE 4 8.328 3.058 9.992
30 HD1 PHE 4 2HD PHE 4 11.895 3.000 8.872
31 HD2 PHE 4 1HD PHE 4 7.804 2.390 7.869
32 HE1 PHE 4 2HE PHE 4 12.560 2.272 6.619
33 HE2 PHE 4 1HE PHE 4 8.463 1.659 5.614
34 HZ PHE 4 HZ PHE 4 10.842 1.599 4.986
35 H HIS 5 H HIS 5 7.796 6.096 9.517
36 HA HIS 5 HA HIS 5 7.110 7.258 11.990
37 HB2 HIS 5 2HB HIS 5 6.484 8.177 9.753
38 HB3 HIS 5 1HB HIS 5 5.314 6.873 9.583
39 HD1 HIS 5 1HD HIS 5 5.904 10.094 11.371
40 HD2 HIS 5 2HD HIS 5 2.978 7.158 11.108
41 HE1 HIS 5 1HE HIS 5 3.871 11.071 12.480
42 HE2 HIS 5 2HE HIS 5 2.154 9.226 12.421
43 H ASP 6 H ASP 6 5.129 4.932 10.132
44 HA ASP 6 HA ASP 6 4.704 3.254 12.418
45 HB2 ASP 6 2HB ASP 6 2.661 5.274 11.626
46 HB3 ASP 6 1HB ASP 6 2.082 3.666 12.047
47 H GLU 7 H GLU 7 3.956 1.239 11.845
48 HA GLU 7 HA GLU 7 3.852 0.696 8.991
49 HB2 GLU 7 2HB GLU 7 3.624 -1.317 11.231
50 HB3 GLU 7 1HB GLU 7 4.076 -1.616 9.560
51 HG2 GLU 7 2HG GLU 7 6.166 -1.595 10.338
52 HG3 GLU 7 1HG GLU 7 5.989 0.158 10.318
53 H VAL 8 H VAL 8 2.075 0.102 7.862
54 HA VAL 8 HA VAL 8 -0.430 -0.311 9.356
55 HB VAL 8 HB VAL 8 -0.250 1.258 6.780
56 HG11 VAL 8 1HG1 VAL 8 -2.384 0.006 7.452
57 HG12 VAL 8 2HG1 VAL 8 -2.527 1.715 7.048
58 HG13 VAL 8 3HG1 VAL 8 -2.525 1.207 8.736
59 HG21 VAL 8 3HG2 VAL 8 -0.753 2.425 9.506
60 HG22 VAL 8 1HG2 VAL 8 -0.423 3.270 7.994
61 HG23 VAL 8 2HG2 VAL 8 0.856 2.355 8.790
62 H GLU 9 H GLU 9 -1.828 -1.818 8.552
63 HA GLU 9 HA GLU 9 -0.777 -3.846 6.879
64 HB2 GLU 9 2HB GLU 9 -3.477 -3.322 8.086
65 HB3 GLU 9 1HB GLU 9 -3.263 -4.624 6.927
66 HG2 GLU 9 2HG GLU 9 -1.520 -5.593 8.373
67 HG3 GLU 9 1HG GLU 9 -1.817 -4.314 9.549
68 H ILE 10 H ILE 10 -1.143 -4.356 4.775
69 HA ILE 10 HA ILE 10 -1.645 -2.338 2.922
70 HB ILE 10 HB ILE 10 -0.398 -4.410 2.418
71 HG12 ILE 10 2HG1 ILE 10 -1.439 -4.789 0.132
72 HG13 ILE 10 1HG1 ILE 10 -2.720 -3.689 0.628
73 HG21 ILE 10 1HG2 ILE 10 -3.128 -5.685 2.438
74 HG22 ILE 10 2HG2 ILE 10 -1.764 -6.061 3.489
75 HG23 ILE 10 3HG2 ILE 10 -1.679 -6.436 1.768
76 HD11 ILE 10 3HD1 ILE 10 -0.022 -2.639 1.025
77 HD12 ILE 10 1HD1 ILE 10 -1.446 -1.885 0.309
78 HD13 ILE 10 2HD1 ILE 10 -0.443 -2.966 -0.656
79 H GLU 11 H GLU 11 -3.867 -4.502 4.537
80 HA GLU 11 HA GLU 11 -6.059 -4.359 2.807
81 HB2 GLU 11 2HB GLU 11 -5.743 -4.829 5.743
82 HB3 GLU 11 1HB GLU 11 -7.356 -4.565 5.096
83 HG2 GLU 11 2HG GLU 11 -5.741 -6.528 3.629
84 HG3 GLU 11 1HG GLU 11 -6.146 -6.974 5.286
85 H ASP 12 H ASP 12 -4.858 -2.075 5.196
86 HA ASP 12 HA ASP 12 -7.160 -0.375 5.147
87 HB2 ASP 12 2HB ASP 12 -4.389 -0.181 6.261
88 HB3 ASP 12 1HB ASP 12 -5.354 1.286 6.122
89 H PHE 13 H PHE 13 -4.226 -0.631 3.261
90 HA PHE 13 HA PHE 13 -4.224 1.937 2.093
91 HB2 PHE 13 2HB PHE 13 -3.042 -0.716 1.345
92 HB3 PHE 13 1HB PHE 13 -2.991 0.611 0.192
93 HD1 PHE 13 1HD PHE 13 -2.232 -0.023 3.798
94 HD2 PHE 13 2HD PHE 13 -1.122 1.931 0.183
95 HE1 PHE 13 1HE PHE 13 -0.206 0.846 4.892
96 HE2 PHE 13 2HE PHE 13 0.904 2.802 1.270
97 HZ PHE 13 HZ PHE 13 1.364 2.259 3.629
98 H GLN 14 H GLN 14 -4.451 2.134 -0.413
99 HA GLN 14 HA GLN 14 -7.054 0.981 -1.183
100 HB2 GLN 14 2HB GLN 14 -6.914 3.498 -0.746
101 HB3 GLN 14 1HB GLN 14 -5.936 3.590 -2.203
102 HG2 GLN 14 2HG GLN 14 -7.705 3.404 -3.548
103 HG3 GLN 14 1HG GLN 14 -8.435 2.130 -2.573
104 HE21 GLN 14 1HE2 GLN 14 -10.237 2.629 -1.540
105 HE22 GLN 14 2HE2 GLN 14 -10.785 4.225 -1.165
106 H TYR 15 H TYR 15 -6.774 -0.564 -2.677
107 HA TYR 15 HA TYR 15 -4.459 -0.806 -4.286
108 HB2 TYR 15 2HB TYR 15 -5.838 -2.751 -3.704
109 HB3 TYR 15 1HB TYR 15 -7.175 -2.099 -4.644
110 HD1 TYR 15 2HD TYR 15 -3.623 -3.183 -5.002
111 HD2 TYR 15 1HD TYR 15 -7.414 -2.721 -6.878
112 HE1 TYR 15 2HE TYR 15 -2.770 -4.343 -6.993
113 HE2 TYR 15 1HE TYR 15 -6.572 -3.880 -8.877
114 HH TYR 15 HH TYR 15 -3.901 -5.733 -8.943
115 H ASP 16 H ASP 16 -3.913 0.254 -6.057
116 HA ASP 16 HA ASP 16 -5.958 1.790 -7.490
117 HB2 ASP 16 2HB ASP 16 -3.720 2.769 -6.552
118 HB3 ASP 16 1HB ASP 16 -3.009 2.049 -7.992
119 H GLU 17 H GLU 17 -6.864 0.217 -8.803
120 HA GLU 17 HA GLU 17 -5.532 -1.730 -10.281
121 HB2 GLU 17 2HB GLU 17 -7.563 -1.616 -11.803
122 HB3 GLU 17 1HB GLU 17 -7.874 -1.935 -10.104
123 HG2 GLU 17 2HG GLU 17 -8.680 0.249 -9.737
124 HG3 GLU 17 1HG GLU 17 -8.049 0.824 -11.279
125 H ASP 18 H ASP 18 -5.886 1.673 -10.900
126 HA ASP 18 HA ASP 18 -5.558 1.933 -13.598
127 HB2 ASP 18 2HB ASP 18 -4.102 3.616 -11.549
128 HB3 ASP 18 1HB ASP 18 -4.517 4.087 -13.190
129 H SER 19 H SER 19 -2.893 1.619 -11.232
130 HA SER 19 HA SER 19 -1.264 0.388 -13.330
131 HB2 SER 19 2HB SER 19 -0.419 2.796 -11.703
132 HB3 SER 19 1HB SER 19 0.690 1.820 -12.664
133 HG SER 19 HG SER 19 -0.704 3.847 -13.497
134 H GLU 20 H GLU 20 -2.605 -0.568 -10.846
135 HA GLU 20 HA GLU 20 -2.216 -1.889 -9.034
136 HB2 GLU 20 2HB GLU 20 0.396 -2.508 -10.416
137 HB3 GLU 20 1HB GLU 20 -0.460 -3.523 -9.263
138 HG2 GLU 20 2HG GLU 20 -1.844 -4.346 -10.821
139 HG3 GLU 20 1HG GLU 20 -2.021 -2.791 -11.633
140 H THR 21 H THR 21 -1.948 0.297 -7.921
141 HA THR 21 HA THR 21 0.584 0.249 -6.441
142 HB THR 21 HB THR 21 -0.687 2.831 -7.374
143 HG1 THR 21 1HG THR 21 0.794 2.890 -8.984
144 HG21 THR 21 3HG2 THR 21 2.151 2.488 -6.510
145 HG22 THR 21 1HG2 THR 21 0.875 2.753 -5.323
146 HG23 THR 21 2HG2 THR 21 1.172 3.952 -6.581
147 H TYR 22 H TYR 22 0.439 1.024 -4.282
148 HA TYR 22 HA TYR 22 -2.330 1.267 -3.294
149 HB2 TYR 22 2HB TYR 22 0.059 0.231 -1.756
150 HB3 TYR 22 1HB TYR 22 -1.615 0.247 -1.217
151 HD1 TYR 22 2HD TYR 22 0.617 -1.188 -3.827
152 HD2 TYR 22 1HD TYR 22 -3.005 -1.591 -1.628
153 HE1 TYR 22 2HE TYR 22 0.294 -3.427 -4.779
154 HE2 TYR 22 1HE TYR 22 -3.335 -3.834 -2.576
155 HH TYR 22 HH TYR 22 -1.499 -5.684 -3.610
156 H PHE 23 H PHE 23 -2.857 2.925 -1.928
157 HA PHE 23 HA PHE 23 -0.704 4.818 -1.244
158 HB2 PHE 23 2HB PHE 23 -3.501 5.538 -2.147
159 HB3 PHE 23 1HB PHE 23 -2.241 6.676 -1.684
160 HD1 PHE 23 1HD PHE 23 -2.874 3.907 -4.102
161 HD2 PHE 23 2HD PHE 23 -0.927 7.613 -3.332
162 HE1 PHE 23 1HE PHE 23 -2.088 3.972 -6.429
163 HE2 PHE 23 2HE PHE 23 -0.138 7.684 -5.659
164 HZ PHE 23 HZ PHE 23 -0.717 5.863 -7.212
165 H TYR 24 H TYR 24 -1.035 6.121 0.633
166 HA TYR 24 HA TYR 24 -3.130 5.170 2.466
167 HB2 TYR 24 2HB TYR 24 -0.862 4.126 2.932
168 HB3 TYR 24 1HB TYR 24 -0.303 5.740 3.360
169 HD1 TYR 24 2HD TYR 24 -3.284 3.605 4.138
170 HD2 TYR 24 1HD TYR 24 -0.205 6.140 5.626
171 HE1 TYR 24 2HE TYR 24 -4.136 3.288 6.421
172 HE2 TYR 24 1HE TYR 24 -1.050 5.829 7.915
173 HH TYR 24 HH TYR 24 -3.053 3.436 8.831
174 HA PRO 25 HA PRO 25 -3.998 9.521 2.858
175 HB2 PRO 25 2HB PRO 25 -5.116 8.728 5.488
176 HB3 PRO 25 1HB PRO 25 -5.885 9.585 4.149
177 HG2 PRO 25 2HG PRO 25 -6.485 7.039 4.662
178 HG3 PRO 25 1HG PRO 25 -6.356 7.630 2.995
179 HD2 PRO 25 2HD PRO 25 -4.405 6.018 4.591
180 HD3 PRO 25 1HD PRO 25 -4.853 5.875 2.878
181 H CYS 26 H CYS 26 -2.571 11.024 3.443
182 HA CYS 26 HA CYS 26 -0.999 10.612 5.891
183 HB2 CYS 26 2HB CYS 26 -0.159 11.186 3.317
184 HB3 CYS 26 1HB CYS 26 -0.096 12.751 4.120
185 HA PRO 27 HA PRO 27 -3.102 13.997 7.820
186 HB2 PRO 27 2HB PRO 27 -1.190 14.737 9.615
187 HB3 PRO 27 1HB PRO 27 -2.213 13.311 9.815
188 HG2 PRO 27 2HG PRO 27 0.595 13.502 8.798
189 HG3 PRO 27 1HG PRO 27 -0.116 12.315 9.906
190 HD2 PRO 27 2HD PRO 27 0.303 11.776 7.295
191 HD3 PRO 27 1HD PRO 27 -1.072 11.099 8.194
192 H CYS 28 H CYS 28 -0.060 14.381 6.195
193 HA CYS 28 HA CYS 28 0.245 17.183 6.557
194 HB2 CYS 28 2HB CYS 28 1.874 17.041 4.739
195 HB3 CYS 28 1HB CYS 28 2.105 15.719 5.878
196 H GLY 29 H GLY 29 -1.520 15.204 4.249
197 HA2 GLY 29 2HA GLY 29 -3.525 16.688 3.469
198 HA3 GLY 29 1HA GLY 29 -2.235 17.564 2.659
199 H ASP 30 H ASP 30 -0.631 15.383 1.894
200 HA ASP 30 HA ASP 30 -2.187 14.391 -0.351
201 HB2 ASP 30 2HB ASP 30 0.386 15.276 -0.138
202 HB3 ASP 30 1HB ASP 30 0.627 13.535 -0.066
203 H ASN 31 H ASN 31 -0.905 11.994 -0.910
204 HA ASN 31 HA ASN 31 -1.398 10.277 1.417
205 HB2 ASN 31 2HB ASN 31 -2.505 9.674 -1.335
206 HB3 ASN 31 1HB ASN 31 -2.765 8.751 0.140
207 HD21 ASN 31 1HD2 ASN 31 -3.389 11.862 -1.403
208 HD22 ASN 31 2HD2 ASN 31 -4.853 12.192 -0.546
209 H PHE 32 H PHE 32 -0.056 8.545 1.571
210 HA PHE 32 HA PHE 32 2.365 8.508 0.157
211 HB2 PHE 32 2HB PHE 32 0.997 6.638 2.042
212 HB3 PHE 32 1HB PHE 32 2.407 6.060 1.162
213 HD1 PHE 32 1HD PHE 32 4.537 7.494 1.312
214 HD2 PHE 32 2HD PHE 32 1.266 7.840 4.013
215 HE1 PHE 32 1HE PHE 32 6.019 8.550 2.967
216 HE2 PHE 32 2HE PHE 32 2.744 8.899 5.672
217 HZ PHE 32 HZ PHE 32 5.124 9.254 5.149
218 H SER 33 H SER 33 3.225 6.587 -1.082
219 HA SER 33 HA SER 33 1.225 5.153 -2.645
220 HB2 SER 33 2HB SER 33 2.371 5.838 -4.789
221 HB3 SER 33 1HB SER 33 1.461 7.119 -3.991
222 HG SER 33 HG SER 33 3.287 8.125 -3.475
223 H ILE 34 H ILE 34 1.892 3.198 -3.371
224 HA ILE 34 HA ILE 34 4.707 2.508 -3.478
225 HB ILE 34 HB ILE 34 4.216 2.095 -1.121
226 HG12 ILE 34 2HG1 ILE 34 4.263 -0.647 -2.327
227 HG13 ILE 34 1HG1 ILE 34 5.585 0.466 -2.666
228 HG21 ILE 34 1HG2 ILE 34 2.111 0.144 -2.043
229 HG22 ILE 34 2HG2 ILE 34 1.770 1.755 -1.416
230 HG23 ILE 34 3HG2 ILE 34 2.537 0.551 -0.381
231 HD11 ILE 34 3HD1 ILE 34 4.880 0.288 0.160
232 HD12 ILE 34 1HD1 ILE 34 6.456 0.228 -0.628
233 HD13 ILE 34 2HD1 ILE 34 5.458 -1.222 -0.543
234 H THR 35 H THR 35 5.013 1.248 -5.217
235 HA THR 35 HA THR 35 2.797 0.262 -6.723
236 HB THR 35 HB THR 35 4.483 -0.642 -8.261
237 HG1 THR 35 1HG THR 35 6.445 0.274 -6.438
238 HG21 THR 35 3HG2 THR 35 4.861 1.351 -9.135
239 HG22 THR 35 1HG2 THR 35 5.917 1.807 -7.796
240 HG23 THR 35 2HG2 THR 35 4.175 2.057 -7.674
241 H LYS 36 H LYS 36 2.237 -1.875 -7.222
242 HA LYS 36 HA LYS 36 2.279 -3.690 -5.065
243 HB2 LYS 36 2HB LYS 36 0.570 -3.551 -6.948
244 HB3 LYS 36 1HB LYS 36 1.729 -4.423 -7.941
245 HG2 LYS 36 2HG LYS 36 0.946 -5.557 -5.299
246 HG3 LYS 36 1HG LYS 36 -0.167 -5.691 -6.662
247 HD2 LYS 36 2HD LYS 36 2.566 -6.389 -7.382
248 HD3 LYS 36 1HD LYS 36 1.933 -7.401 -6.084
249 HE2 LYS 36 2HE LYS 36 1.468 -8.403 -8.243
250 HE3 LYS 36 1HE LYS 36 -0.032 -7.914 -7.459
251 HZ1 LYS 36 3HZ LYS 36 -0.199 -7.246 -9.698
252 HZ2 LYS 36 1HZ LYS 36 1.354 -6.577 -9.712
253 HZ3 LYS 36 2HZ LYS 36 0.119 -5.829 -8.832
254 H GLU 37 H GLU 37 4.260 -3.428 -7.973
255 HA GLU 37 HA GLU 37 5.560 -5.912 -7.829
256 HB2 GLU 37 2HB GLU 37 5.602 -4.131 -9.704
257 HB3 GLU 37 1HB GLU 37 6.923 -3.410 -8.793
258 HG2 GLU 37 2HG GLU 37 7.696 -6.021 -8.924
259 HG3 GLU 37 1HG GLU 37 6.873 -5.807 -10.468
260 H ASP 38 H ASP 38 6.240 -2.816 -6.263
261 HA ASP 38 HA ASP 38 8.772 -3.346 -5.217
262 HB2 ASP 38 2HB ASP 38 6.522 -1.537 -4.490
263 HB3 ASP 38 1HB ASP 38 7.735 -1.825 -3.250
264 H LEU 39 H LEU 39 5.563 -4.115 -3.945
265 HA LEU 39 HA LEU 39 6.374 -5.143 -1.463
266 HB2 LEU 39 2HB LEU 39 3.997 -6.070 -3.069
267 HB3 LEU 39 1HB LEU 39 4.198 -6.156 -1.331
268 HG LEU 39 HG LEU 39 4.024 -3.559 -2.858
269 HD11 LEU 39 1HD1 LEU 39 1.930 -4.566 -3.196
270 HD12 LEU 39 2HD1 LEU 39 1.708 -3.486 -1.819
271 HD13 LEU 39 3HD1 LEU 39 1.887 -5.221 -1.560
272 HD21 LEU 39 3HD2 LEU 39 4.026 -2.478 -0.845
273 HD22 LEU 39 1HD2 LEU 39 5.082 -3.836 -0.462
274 HD23 LEU 39 2HD2 LEU 39 3.390 -3.869 0.031
275 H GLU 40 H GLU 40 5.828 -6.797 -4.585
276 HA GLU 40 HA GLU 40 6.358 -9.400 -3.696
277 HB2 GLU 40 2HB GLU 40 6.817 -8.175 -6.418
278 HB3 GLU 40 1HB GLU 40 6.894 -9.899 -6.076
279 HG2 GLU 40 2HG GLU 40 4.537 -9.800 -5.313
280 HG3 GLU 40 1HG GLU 40 4.487 -8.113 -5.825
281 H ASN 41 H ASN 41 8.546 -6.771 -4.373
282 HA ASN 41 HA ASN 41 10.871 -8.525 -4.430
283 HB2 ASN 41 2HB ASN 41 10.363 -5.650 -5.006
284 HB3 ASN 41 1HB ASN 41 11.975 -6.089 -4.452
285 HD21 ASN 41 1HD2 ASN 41 13.370 -6.890 -5.869
286 HD22 ASN 41 2HD2 ASN 41 12.988 -7.364 -7.485
287 H GLY 42 H GLY 42 9.367 -6.142 -2.292
288 HA2 GLY 42 2HA GLY 42 9.754 -6.861 0.133
289 HA3 GLY 42 1HA GLY 42 11.454 -6.670 -0.272
290 H GLU 43 H GLU 43 9.923 -4.332 -2.011
291 HA GLU 43 HA GLU 43 10.774 -2.246 -0.249
292 HB2 GLU 43 2HB GLU 43 9.557 -2.366 -2.980
293 HB3 GLU 43 1HB GLU 43 9.546 -0.841 -2.108
294 HG2 GLU 43 2HG GLU 43 11.990 -2.468 -2.758
295 HG3 GLU 43 1HG GLU 43 11.453 -1.021 -3.614
296 H ASP 44 H ASP 44 9.394 -2.866 1.540
297 HA ASP 44 HA ASP 44 6.539 -2.336 1.315
298 HB2 ASP 44 2HB ASP 44 8.207 -3.107 3.725
299 HB3 ASP 44 1HB ASP 44 6.452 -3.037 3.672
300 H VAL 45 H VAL 45 8.317 -0.093 0.842
301 HA VAL 45 HA VAL 45 7.584 1.597 3.139
302 HB VAL 45 HB VAL 45 10.013 1.251 3.123
303 HG11 VAL 45 1HG1 VAL 45 9.952 1.090 0.488
304 HG12 VAL 45 2HG1 VAL 45 11.402 1.614 1.346
305 HG13 VAL 45 3HG1 VAL 45 10.333 2.807 0.611
306 HG21 VAL 45 3HG2 VAL 45 9.797 4.067 2.221
307 HG22 VAL 45 1HG2 VAL 45 10.510 3.396 3.688
308 HG23 VAL 45 2HG2 VAL 45 8.759 3.568 3.556
309 H ALA 46 H ALA 46 6.514 3.426 2.727
310 HA ALA 46 HA ALA 46 6.155 4.200 -0.094
311 HB1 ALA 46 1HB ALA 46 4.173 5.228 1.785
312 HB2 ALA 46 2HB ALA 46 4.215 3.468 1.702
313 HB3 ALA 46 3HB ALA 46 3.953 4.412 0.237
314 H THR 47 H THR 47 6.436 6.322 -0.682
315 HA THR 47 HA THR 47 7.337 8.160 1.439
316 HB THR 47 HB THR 47 8.361 8.237 -1.395
317 HG1 THR 47 1HG THR 47 9.374 6.762 0.802
318 HG21 THR 47 3HG2 THR 47 9.914 9.070 1.001
319 HG22 THR 47 1HG2 THR 47 8.679 10.148 0.353
320 HG23 THR 47 2HG2 THR 47 10.020 9.630 -0.667
321 H CYS 48 H CYS 48 6.397 10.108 1.522
322 HA CYS 48 HA CYS 48 4.248 10.664 -0.345
323 HB2 CYS 48 2HB CYS 48 4.480 11.056 2.343
324 HB3 CYS 48 1HB CYS 48 4.858 12.664 1.735
325 HA PRO 49 HA PRO 49 6.696 13.489 -2.745
326 HB2 PRO 49 2HB PRO 49 4.722 14.689 -4.134
327 HB3 PRO 49 1HB PRO 49 5.210 13.016 -4.439
328 HG2 PRO 49 2HG PRO 49 2.886 14.055 -2.865
329 HG3 PRO 49 1HG PRO 49 2.946 12.704 -4.009
330 HD2 PRO 49 2HD PRO 49 3.023 12.386 -1.301
331 HD3 PRO 49 1HD PRO 49 3.778 11.253 -2.439
332 H SER 50 H SER 50 4.612 14.438 -0.247
333 HA SER 50 HA SER 50 5.296 17.275 -0.609
334 HB2 SER 50 2HB SER 50 3.411 17.747 0.936
335 HB3 SER 50 1HB SER 50 2.893 16.893 -0.517
336 HG SER 50 HG SER 50 2.604 15.067 0.643
337 H CYS 51 H CYS 51 4.558 15.184 2.204
338 HA CYS 51 HA CYS 51 6.335 16.647 3.893
339 HB2 CYS 51 2HB CYS 51 5.776 15.014 5.605
340 HB3 CYS 51 1HB CYS 51 4.318 15.517 4.758
341 H SER 52 H SER 52 6.675 13.797 1.906
342 HA SER 52 HA SER 52 8.461 12.507 1.362
343 HB2 SER 52 2HB SER 52 9.547 14.810 1.192
344 HB3 SER 52 1HB SER 52 10.218 14.504 2.792
345 HG SER 52 HG SER 52 11.136 13.683 0.444
346 H LEU 53 H LEU 53 7.041 11.796 3.616
347 HA LEU 53 HA LEU 53 9.011 11.028 5.638
348 HB2 LEU 53 2HB LEU 53 6.036 11.201 5.534
349 HB3 LEU 53 1HB LEU 53 6.748 10.035 6.632
350 HG LEU 53 HG LEU 53 7.696 12.868 6.718
351 HD11 LEU 53 1HD1 LEU 53 5.831 12.977 8.605
352 HD12 LEU 53 2HD1 LEU 53 5.012 11.880 7.492
353 HD13 LEU 53 3HD1 LEU 53 5.521 13.477 6.943
354 HD21 LEU 53 3HD2 LEU 53 8.940 11.619 8.183
355 HD22 LEU 53 1HD2 LEU 53 7.618 10.502 8.526
356 HD23 LEU 53 2HD2 LEU 53 7.615 12.116 9.236
357 H ILE 54 H ILE 54 8.282 8.690 6.597
358 HA ILE 54 HA ILE 54 8.123 6.840 4.309
359 HB ILE 54 HB ILE 54 9.707 5.331 5.525
360 HG12 ILE 54 2HG1 ILE 54 10.271 7.806 7.177
361 HG13 ILE 54 1HG1 ILE 54 9.454 6.362 7.764
362 HG21 ILE 54 1HG2 ILE 54 11.495 6.188 4.418
363 HG22 ILE 54 2HG2 ILE 54 11.237 7.821 5.032
364 HG23 ILE 54 3HG2 ILE 54 10.240 7.205 3.714
365 HD11 ILE 54 3HD1 ILE 54 12.096 5.924 6.551
366 HD12 ILE 54 1HD1 ILE 54 11.371 5.215 7.993
367 HD13 ILE 54 2HD1 ILE 54 12.077 6.829 8.065
368 H ILE 55 H ILE 55 7.002 4.946 4.625
369 HA ILE 55 HA ILE 55 5.899 4.378 7.274
370 HB ILE 55 HB ILE 55 3.630 4.004 6.306
371 HG12 ILE 55 2HG1 ILE 55 4.247 5.814 4.032
372 HG13 ILE 55 1HG1 ILE 55 4.780 4.144 3.879
373 HG21 ILE 55 1HG2 ILE 55 4.698 6.819 6.173
374 HG22 ILE 55 2HG2 ILE 55 4.078 5.991 7.601
375 HG23 ILE 55 3HG2 ILE 55 2.993 6.382 6.267
376 HD11 ILE 55 3HD1 ILE 55 2.744 3.565 3.260
377 HD12 ILE 55 1HD1 ILE 55 2.200 5.230 3.461
378 HD13 ILE 55 2HD1 ILE 55 2.113 4.105 4.815
379 H LYS 56 H LYS 56 5.408 2.215 7.631
380 HA LYS 56 HA LYS 56 6.524 0.380 5.656
381 HB2 LYS 56 2HB LYS 56 6.842 0.480 8.348
382 HB3 LYS 56 1HB LYS 56 5.536 -0.690 8.225
383 HG2 LYS 56 2HG LYS 56 8.027 -0.976 6.589
384 HG3 LYS 56 1HG LYS 56 7.947 -1.549 8.256
385 HD2 LYS 56 2HD LYS 56 5.954 -2.902 7.631
386 HD3 LYS 56 1HD LYS 56 6.194 -2.410 5.955
387 HE2 LYS 56 2HE LYS 56 7.974 -3.776 5.667
388 HE3 LYS 56 1HE LYS 56 8.554 -3.542 7.316
389 HZ1 LYS 56 3HZ LYS 56 7.826 -5.803 6.997
390 HZ2 LYS 56 1HZ LYS 56 6.298 -5.289 6.482
391 HZ3 LYS 56 2HZ LYS 56 6.783 -5.031 8.082
392 H VAL 57 H VAL 57 5.451 -1.097 4.566
393 HA VAL 57 HA VAL 57 2.534 -1.143 4.893
394 HB VAL 57 HB VAL 57 3.732 -2.266 2.426
395 HG11 VAL 57 1HG1 VAL 57 1.403 -0.478 3.067
396 HG12 VAL 57 2HG1 VAL 57 1.353 -2.200 2.689
397 HG13 VAL 57 3HG1 VAL 57 1.810 -1.035 1.446
398 HG21 VAL 57 3HG2 VAL 57 4.161 0.541 3.274
399 HG22 VAL 57 1HG2 VAL 57 3.601 0.289 1.620
400 HG23 VAL 57 2HG2 VAL 57 5.095 -0.467 2.170
401 H ILE 58 H ILE 58 1.807 -2.868 5.947
402 HA ILE 58 HA ILE 58 3.325 -5.365 5.890
403 HB ILE 58 HB ILE 58 0.843 -4.781 7.504
404 HG12 ILE 58 2HG1 ILE 58 2.605 -3.133 8.032
405 HG13 ILE 58 1HG1 ILE 58 2.304 -4.227 9.377
406 HG21 ILE 58 1HG2 ILE 58 1.650 -7.169 7.113
407 HG22 ILE 58 2HG2 ILE 58 1.384 -6.669 8.782
408 HG23 ILE 58 3HG2 ILE 58 3.022 -6.748 8.136
409 HD11 ILE 58 3HD1 ILE 58 4.670 -3.825 9.116
410 HD12 ILE 58 1HD1 ILE 58 4.604 -4.377 7.443
411 HD13 ILE 58 2HD1 ILE 58 4.298 -5.511 8.759
412 H TYR 59 H TYR 59 2.640 -7.205 4.921
413 HA TYR 59 HA TYR 59 -0.097 -7.599 4.109
414 HB2 TYR 59 2HB TYR 59 0.456 -7.830 1.679
415 HB3 TYR 59 1HB TYR 59 0.615 -6.177 2.273
416 HD1 TYR 59 2HD TYR 59 2.516 -9.205 1.336
417 HD2 TYR 59 1HD TYR 59 2.697 -5.039 2.185
418 HE1 TYR 59 2HE TYR 59 4.839 -9.149 0.547
419 HE2 TYR 59 1HE TYR 59 5.023 -4.971 1.401
420 HH TYR 59 HH TYR 59 6.902 -6.496 1.076
421 H ASP 60 H ASP 60 -0.005 -9.678 2.460
422 HA ASP 60 HA ASP 60 1.376 -11.700 4.020
423 HB2 ASP 60 2HB ASP 60 -1.067 -11.837 3.196
424 HB3 ASP 60 1HB ASP 60 -0.374 -12.241 1.627
425 H LYS 61 H LYS 61 3.523 -11.576 3.475
426 HA LYS 61 HA LYS 61 4.573 -11.240 0.906
427 HB2 LYS 61 2HB LYS 61 5.699 -12.521 3.387
428 HB3 LYS 61 1HB LYS 61 6.627 -12.403 1.897
429 HG2 LYS 61 2HG LYS 61 5.776 -9.845 2.179
430 HG3 LYS 61 1HG LYS 61 5.947 -10.341 3.864
431 HD2 LYS 61 2HD LYS 61 8.109 -9.809 3.607
432 HD3 LYS 61 1HD LYS 61 8.234 -11.334 2.729
433 HE2 LYS 61 2HE LYS 61 7.745 -8.605 1.539
434 HE3 LYS 61 1HE LYS 61 9.232 -9.544 1.433
435 HZ1 LYS 61 3HZ LYS 61 8.256 -10.034 -0.559
436 HZ2 LYS 61 1HZ LYS 61 6.678 -9.945 0.044
437 HZ3 LYS 61 2HZ LYS 61 7.634 -11.297 0.377
438 H ASP 62 H ASP 62 3.332 -14.096 2.505
439 HA ASP 62 HA ASP 62 4.498 -16.034 0.813
440 HB2 ASP 62 2HB ASP 62 3.126 -16.252 3.078
441 HB3 ASP 62 1HB ASP 62 1.781 -16.492 1.967
442 H GLN 63 H GLN 63 1.558 -14.095 0.579
443 HA GLN 63 HA GLN 63 0.601 -15.469 -1.766
444 HB2 GLN 63 2HB GLN 63 -0.283 -13.126 -0.147
445 HB3 GLN 63 1HB GLN 63 -0.882 -13.268 -1.793
446 HG2 GLN 63 2HG GLN 63 -1.078 -15.738 -0.248
447 HG3 GLN 63 1HG GLN 63 -2.016 -14.400 0.411
448 HE21 GLN 63 1HE2 GLN 63 -3.751 -13.596 -0.739
449 HE22 GLN 63 2HE2 GLN 63 -4.413 -14.400 -2.116
450 H PHE 64 H PHE 64 2.436 -12.534 -1.099
451 HA PHE 64 HA PHE 64 2.311 -11.541 -3.779
452 HB2 PHE 64 2HB PHE 64 3.795 -10.791 -1.298
453 HB3 PHE 64 1HB PHE 64 4.379 -10.177 -2.841
454 HD1 PHE 64 2HD PHE 64 1.388 -10.321 -0.653
455 HD2 PHE 64 1HD PHE 64 3.359 -8.345 -3.865
456 HE1 PHE 64 2HE PHE 64 -0.294 -8.527 -0.576
457 HE2 PHE 64 1HE PHE 64 1.683 -6.549 -3.795
458 HZ PHE 64 HZ PHE 64 -0.148 -6.637 -2.149
459 H VAL 65 H VAL 65 4.762 -13.315 -1.904
460 HA VAL 65 HA VAL 65 6.597 -13.391 -4.129
461 HB VAL 65 HB VAL 65 6.738 -14.982 -1.561
462 HG11 VAL 65 1HG1 VAL 65 8.774 -14.323 -3.685
463 HG12 VAL 65 2HG1 VAL 65 8.203 -15.917 -3.187
464 HG13 VAL 65 3HG1 VAL 65 9.196 -14.954 -2.092
465 HG21 VAL 65 3HG2 VAL 65 6.612 -12.439 -1.336
466 HG22 VAL 65 1HG2 VAL 65 8.199 -12.414 -2.107
467 HG23 VAL 65 2HG2 VAL 65 7.975 -13.255 -0.573
468 H SER 66 H SER 66 5.202 -14.367 -5.694
469 HA SER 66 HA SER 66 5.108 -17.297 -5.435
470 HB2 SER 66 2HB SER 66 2.839 -16.253 -5.156
471 HB3 SER 66 1HB SER 66 2.982 -15.633 -6.801
472 HG SER 66 HG SER 66 2.570 -18.234 -5.904
473 H GLY 67 H GLY 67 7.093 -15.543 -6.710
474 HA2 GLY 67 2HA GLY 67 6.709 -15.573 -9.536
475 HA3 GLY 67 1HA GLY 67 8.230 -15.299 -8.699
476 H GLU 68 H GLU 68 8.405 -17.720 -7.284
477 HA GLU 68 HA GLU 68 9.022 -19.548 -9.493
478 HB2 GLU 68 2HB GLU 68 10.663 -18.716 -7.582
479 HB3 GLU 68 1HB GLU 68 9.946 -20.057 -6.701
480 HG2 GLU 68 2HG GLU 68 10.905 -21.629 -8.028
481 HG3 GLU 68 1HG GLU 68 10.908 -20.587 -9.450
482 H THR 69 H THR 69 6.299 -19.253 -8.483
483 HA THR 69 HA THR 69 5.830 -22.050 -7.768
484 HB THR 69 HB THR 69 4.432 -19.746 -6.394
485 HG1 THR 69 1HG THR 69 6.298 -19.736 -5.367
486 HG21 THR 69 3HG2 THR 69 4.185 -21.991 -4.827
487 HG22 THR 69 1HG2 THR 69 3.924 -22.595 -6.464
488 HG23 THR 69 2HG2 THR 69 2.933 -21.277 -5.841
489 H VAL 70 H VAL 70 4.837 -22.714 -9.577
490 HA VAL 70 HA VAL 70 3.221 -23.022 -11.136
491 HB VAL 70 HB VAL 70 1.705 -20.970 -9.533
492 HG11 VAL 70 1HG1 VAL 70 0.866 -21.221 -11.850
493 HG12 VAL 70 2HG1 VAL 70 -0.293 -21.758 -10.635
494 HG13 VAL 70 3HG1 VAL 70 0.639 -22.945 -11.548
495 HG21 VAL 70 3HG2 VAL 70 0.475 -23.136 -8.820
496 HG22 VAL 70 1HG2 VAL 70 2.022 -22.735 -8.073
497 HG23 VAL 70 2HG2 VAL 70 1.948 -23.944 -9.355
498 HA PRO 71 HA PRO 71 4.243 -20.078 -14.291
499 HB2 PRO 71 2HB PRO 71 1.692 -20.910 -15.566
500 HB3 PRO 71 1HB PRO 71 3.336 -20.933 -16.213
501 HG2 PRO 71 2HG PRO 71 2.132 -23.192 -15.477
502 HG3 PRO 71 1HG PRO 71 3.860 -22.937 -15.172
503 HD2 PRO 71 2HD PRO 71 1.552 -22.758 -13.280
504 HD3 PRO 71 1HD PRO 71 3.178 -23.419 -13.015
505 H ALA 72 H ALA 72 3.595 -18.058 -15.155
506 HA ALA 72 HA ALA 72 1.005 -16.952 -14.594
507 HB1 ALA 72 1HB ALA 72 1.885 -16.691 -12.388
508 HB2 ALA 72 2HB ALA 72 1.878 -15.102 -13.154
509 HB3 ALA 72 3HB ALA 72 3.386 -16.004 -13.009
510 HA PRO 73 HA PRO 73 2.148 -14.409 -18.033
511 HB2 PRO 73 2HB PRO 73 0.530 -12.258 -17.648
512 HB3 PRO 73 1HB PRO 73 -0.069 -13.822 -18.214
513 HG2 PRO 73 2HG PRO 73 -0.128 -12.652 -15.460
514 HG3 PRO 73 1HG PRO 73 -1.391 -13.548 -16.324
515 HD2 PRO 73 2HD PRO 73 0.190 -14.692 -14.443
516 HD3 PRO 73 1HD PRO 73 -0.453 -15.593 -15.830
517 H SER 74 H SER 74 3.200 -12.430 -18.630
518 HA SER 74 HA SER 74 4.727 -11.266 -16.418
519 HB2 SER 74 2HB SER 74 5.204 -11.357 -19.400
520 HB3 SER 74 1HB SER 74 6.185 -10.382 -18.305
521 HG SER 74 HG SER 74 6.017 -13.164 -18.560
522 H ALA 75 H ALA 75 2.765 -10.030 -15.827
523 HA ALA 75 HA ALA 75 1.725 -8.022 -15.598
524 HB1 ALA 75 1HB ALA 75 4.190 -7.297 -16.267
525 HB2 ALA 75 2HB ALA 75 2.883 -6.128 -16.080
526 HB3 ALA 75 3HB ALA 75 3.347 -6.684 -17.688
527 H ASN 76 H ASN 76 0.262 -6.521 -16.695
528 HA ASN 76 HA ASN 76 -0.713 -7.631 -19.243
529 HB2 ASN 76 2HB ASN 76 -2.116 -6.747 -16.777
530 HB3 ASN 76 1HB ASN 76 -2.899 -6.387 -18.314
531 HD21 ASN 76 1HD2 ASN 76 -3.937 -7.977 -19.373
532 HD22 ASN 76 2HD2 ASN 76 -3.981 -9.627 -18.867
533 H LYS 77 H LYS 77 -1.424 -6.233 -20.851
534 HA LYS 77 HA LYS 77 -0.815 -3.380 -20.455
535 HB2 LYS 77 2HB LYS 77 0.780 -4.978 -21.924
536 HB3 LYS 77 1HB LYS 77 -0.389 -4.532 -23.159
537 HG2 LYS 77 2HG LYS 77 1.303 -2.654 -21.520
538 HG3 LYS 77 1HG LYS 77 1.491 -3.033 -23.234
539 HD2 LYS 77 2HD LYS 77 -1.059 -2.214 -23.251
540 HD3 LYS 77 1HD LYS 77 -0.470 -1.278 -21.874
541 HE2 LYS 77 2HE LYS 77 0.101 0.200 -23.482
542 HE3 LYS 77 1HE LYS 77 1.525 -0.831 -23.615
543 HZ1 LYS 77 3HZ LYS 77 0.717 -1.838 -25.523
544 HZ2 LYS 77 1HZ LYS 77 0.252 -0.226 -25.738
545 HZ3 LYS 77 2HZ LYS 77 -0.884 -1.374 -25.234
546 H GLU 78 H GLU 78 -3.003 -2.869 -20.179
547 HA GLU 78 HA GLU 78 -4.489 -2.681 -22.665
548 HB2 GLU 78 2HB GLU 78 -5.065 -4.858 -21.243
549 HB3 GLU 78 1HB GLU 78 -6.069 -3.715 -20.360
550 HG2 GLU 78 2HG GLU 78 -7.157 -3.087 -22.489
551 HG3 GLU 78 1HG GLU 78 -6.208 -4.331 -23.304
552 H LEU 79 H LEU 79 -5.075 -0.624 -22.797
553 HA LEU 79 HA LEU 79 -6.365 0.672 -20.543
554 HB2 LEU 79 2HB LEU 79 -4.899 2.672 -20.693
555 HB3 LEU 79 1HB LEU 79 -4.087 1.244 -20.078
556 HG LEU 79 HG LEU 79 -3.862 1.808 -22.994
557 HD11 LEU 79 1HD1 LEU 79 -3.477 3.931 -21.450
558 HD12 LEU 79 2HD1 LEU 79 -2.447 3.579 -22.838
559 HD13 LEU 79 3HD1 LEU 79 -1.911 3.154 -21.212
560 HD21 LEU 79 3HD2 LEU 79 -1.596 1.078 -21.219
561 HD22 LEU 79 1HD2 LEU 79 -1.968 0.548 -22.860
562 HD23 LEU 79 2HD2 LEU 79 -2.850 -0.131 -21.493
563 H VAL 80 H VAL 80 -7.270 -0.209 -23.125
564 HA VAL 80 HA VAL 80 -7.801 2.352 -24.470
565 HB VAL 80 HB VAL 80 -6.722 0.676 -25.900
566 HG11 VAL 80 1HG1 VAL 80 -7.620 -1.333 -24.771
567 HG12 VAL 80 2HG1 VAL 80 -7.818 -1.384 -26.522
568 HG13 VAL 80 3HG1 VAL 80 -9.195 -1.003 -25.489
569 HG21 VAL 80 3HG2 VAL 80 -9.542 0.881 -26.880
570 HG22 VAL 80 1HG2 VAL 80 -8.030 1.059 -27.771
571 HG23 VAL 80 2HG2 VAL 80 -8.561 2.332 -26.672
572 H LYS 81 H LYS 81 -9.794 3.169 -24.441
573 HA LYS 81 HA LYS 81 -12.007 3.451 -24.022
574 HB2 LYS 81 2HB LYS 81 -12.132 0.514 -24.734
575 HB3 LYS 81 1HB LYS 81 -13.529 1.569 -24.575
576 HG2 LYS 81 2HG LYS 81 -11.397 2.430 -26.440
577 HG3 LYS 81 1HG LYS 81 -12.372 1.037 -26.911
578 HD2 LYS 81 2HD LYS 81 -14.356 2.636 -26.175
579 HD3 LYS 81 1HD LYS 81 -13.166 3.884 -26.546
580 HE2 LYS 81 2HE LYS 81 -14.639 3.319 -28.461
581 HE3 LYS 81 1HE LYS 81 -12.927 3.071 -28.794
582 HZ1 LYS 81 3HZ LYS 81 -14.472 0.789 -27.802
583 HZ2 LYS 81 1HZ LYS 81 -13.176 0.825 -28.889
584 HZ3 LYS 81 2HZ LYS 81 -14.724 1.272 -29.403
585 H LEU 82 H LEU 82 -11.639 3.904 -21.814
586 HA LEU 82 HA LEU 82 -11.995 1.709 -19.915
587 HB2 LEU 82 2HB LEU 82 -10.964 4.502 -19.746
588 HB3 LEU 82 1HB LEU 82 -11.641 3.780 -18.300
589 HG LEU 82 HG LEU 82 -9.179 3.571 -18.437
590 HD11 LEU 82 1HD1 LEU 82 -9.920 1.958 -17.028
591 HD12 LEU 82 2HD1 LEU 82 -9.290 0.912 -18.300
592 HD13 LEU 82 3HD1 LEU 82 -11.017 1.260 -18.219
593 HD21 LEU 82 3HD2 LEU 82 -9.304 3.242 -21.002
594 HD22 LEU 82 1HD2 LEU 82 -9.545 1.541 -20.607
595 HD23 LEU 82 2HD2 LEU 82 -8.077 2.368 -20.086
596 H GLU 83 H GLU 83 -13.859 1.325 -18.905
597 HA GLU 83 HA GLU 83 -16.033 3.283 -19.193
598 HB2 GLU 83 2HB GLU 83 -17.567 1.414 -18.822
599 HB3 GLU 83 1HB GLU 83 -16.472 1.067 -20.154
600 HG2 GLU 83 2HG GLU 83 -15.062 -0.203 -18.465
601 HG3 GLU 83 1HG GLU 83 -16.438 -0.066 -17.374
602 H HIS 84 H HIS 84 -17.689 3.160 -17.341
603 HA HIS 84 HA HIS 84 -16.447 2.727 -14.729
604 HB2 HIS 84 2HB HIS 84 -16.224 5.183 -15.628
605 HB3 HIS 84 1HB HIS 84 -17.920 5.303 -15.169
606 HD1 HIS 84 1HD HIS 84 -18.456 5.472 -12.686
607 HD2 HIS 84 2HD HIS 84 -14.424 4.824 -13.457
608 HE1 HIS 84 1HE HIS 84 -17.284 5.837 -10.491
609 HE2 HIS 84 2HE HIS 84 -14.859 5.342 -10.961
Start of MODEL 3
1 H1 MET 1 1HT MET 1 12.897 10.718 15.876
2 H2 MET 1 2HT MET 1 13.537 9.129 15.778
3 H3 MET 1 3HT MET 1 12.380 9.662 14.628
4 HA MET 1 HA MET 1 13.867 11.196 13.709
5 HB2 MET 1 2HB MET 1 15.445 10.485 16.153
6 HB3 MET 1 1HB MET 1 16.301 11.022 14.713
7 HG2 MET 1 2HG MET 1 15.032 13.096 14.711
8 HG3 MET 1 1HG MET 1 14.133 12.559 16.129
9 HE1 MET 1 2HE MET 1 17.196 15.080 15.479
10 HE2 MET 1 3HE MET 1 17.191 13.617 14.494
11 HE3 MET 1 1HE MET 1 18.436 13.849 15.721
12 H ALA 2 H ALA 2 14.470 10.344 11.838
13 HA ALA 2 HA ALA 2 15.133 8.861 10.250
14 HB1 ALA 2 1HB ALA 2 17.150 8.467 12.419
15 HB2 ALA 2 2HB ALA 2 17.339 9.208 10.830
16 HB3 ALA 2 3HB ALA 2 17.201 7.456 10.974
17 H VAL 3 H VAL 3 12.934 8.026 11.853
18 HA VAL 3 HA VAL 3 13.232 5.110 11.611
19 HB VAL 3 HB VAL 3 11.710 4.818 13.562
20 HG11 VAL 3 1HG1 VAL 3 14.384 5.036 13.558
21 HG12 VAL 3 2HG1 VAL 3 13.443 4.650 14.998
22 HG13 VAL 3 3HG1 VAL 3 13.983 6.305 14.716
23 HG21 VAL 3 3HG2 VAL 3 11.710 6.842 15.168
24 HG22 VAL 3 1HG2 VAL 3 10.568 6.823 13.824
25 HG23 VAL 3 2HG2 VAL 3 12.037 7.791 13.718
26 H PHE 4 H PHE 4 11.251 3.971 11.154
27 HA PHE 4 HA PHE 4 9.623 5.241 9.243
28 HB2 PHE 4 2HB PHE 4 9.622 2.600 10.619
29 HB3 PHE 4 1HB PHE 4 8.129 3.096 9.833
30 HD1 PHE 4 1HD PHE 4 11.741 3.406 8.899
31 HD2 PHE 4 2HD PHE 4 7.865 1.993 7.856
32 HE1 PHE 4 1HE PHE 4 12.616 2.608 6.742
33 HE2 PHE 4 2HE PHE 4 8.730 1.194 5.699
34 HZ PHE 4 HZ PHE 4 11.108 1.500 5.137
35 H HIS 5 H HIS 5 7.613 6.149 9.325
36 HA HIS 5 HA HIS 5 6.730 7.364 11.685
37 HB2 HIS 5 2HB HIS 5 6.174 8.135 9.382
38 HB3 HIS 5 1HB HIS 5 5.075 6.769 9.219
39 HD1 HIS 5 1HD HIS 5 5.467 9.280 12.057
40 HD2 HIS 5 2HD HIS 5 2.606 7.852 9.404
41 HE1 HIS 5 1HE HIS 5 3.324 10.425 12.700
42 HE2 HIS 5 2HE HIS 5 1.623 9.605 11.030
43 H ASP 6 H ASP 6 5.008 4.795 9.892
44 HA ASP 6 HA ASP 6 4.492 3.299 12.279
45 HB2 ASP 6 2HB ASP 6 2.452 5.176 11.232
46 HB3 ASP 6 1HB ASP 6 1.875 3.559 11.622
47 H GLU 7 H GLU 7 3.241 1.324 11.841
48 HA GLU 7 HA GLU 7 3.602 0.457 9.052
49 HB2 GLU 7 2HB GLU 7 3.244 -1.277 11.503
50 HB3 GLU 7 1HB GLU 7 3.693 -1.810 9.890
51 HG2 GLU 7 2HG GLU 7 5.849 -1.275 10.173
52 HG3 GLU 7 1HG GLU 7 5.478 0.198 11.067
53 H VAL 8 H VAL 8 1.897 -0.215 7.851
54 HA VAL 8 HA VAL 8 -0.665 -0.707 9.192
55 HB VAL 8 HB VAL 8 -0.468 1.046 6.742
56 HG11 VAL 8 1HG1 VAL 8 -2.764 1.367 6.933
57 HG12 VAL 8 2HG1 VAL 8 -2.802 0.813 8.607
58 HG13 VAL 8 3HG1 VAL 8 -2.567 -0.346 7.300
59 HG21 VAL 8 3HG2 VAL 8 -0.949 1.911 9.593
60 HG22 VAL 8 1HG2 VAL 8 -0.930 2.947 8.166
61 HG23 VAL 8 2HG2 VAL 8 0.551 2.155 8.700
62 H GLU 9 H GLU 9 -1.967 -2.202 8.224
63 HA GLU 9 HA GLU 9 -0.774 -4.058 6.452
64 HB2 GLU 9 2HB GLU 9 -3.589 -3.727 7.479
65 HB3 GLU 9 1HB GLU 9 -3.150 -5.009 6.359
66 HG2 GLU 9 2HG GLU 9 -1.602 -5.939 7.947
67 HG3 GLU 9 1HG GLU 9 -1.866 -4.590 9.049
68 H ILE 10 H ILE 10 -1.038 -4.423 4.310
69 HA ILE 10 HA ILE 10 -1.515 -2.309 2.579
70 HB ILE 10 HB ILE 10 -0.235 -4.352 2.013
71 HG12 ILE 10 2HG1 ILE 10 -1.637 -4.598 -0.318
72 HG13 ILE 10 1HG1 ILE 10 -2.240 -3.060 0.288
73 HG21 ILE 10 1HG2 ILE 10 -2.848 -5.694 1.396
74 HG22 ILE 10 2HG2 ILE 10 -2.042 -5.896 2.952
75 HG23 ILE 10 3HG2 ILE 10 -1.232 -6.396 1.466
76 HD11 ILE 10 3HD1 ILE 10 -0.038 -3.334 -1.220
77 HD12 ILE 10 1HD1 ILE 10 0.673 -3.394 0.392
78 HD13 ILE 10 2HD1 ILE 10 -0.302 -2.005 -0.092
79 H GLU 11 H GLU 11 -3.779 -4.632 3.915
80 HA GLU 11 HA GLU 11 -5.896 -4.333 2.107
81 HB2 GLU 11 2HB GLU 11 -5.889 -4.931 5.066
82 HB3 GLU 11 1HB GLU 11 -7.342 -4.978 4.079
83 HG2 GLU 11 2HG GLU 11 -5.786 -6.575 2.611
84 HG3 GLU 11 1HG GLU 11 -5.059 -6.847 4.194
85 H ASP 12 H ASP 12 -4.827 -2.308 4.769
86 HA ASP 12 HA ASP 12 -7.142 -0.642 4.850
87 HB2 ASP 12 2HB ASP 12 -5.033 -0.996 6.515
88 HB3 ASP 12 1HB ASP 12 -4.554 0.501 5.720
89 H PHE 13 H PHE 13 -4.180 -0.647 2.988
90 HA PHE 13 HA PHE 13 -4.245 2.019 2.059
91 HB2 PHE 13 2HB PHE 13 -2.962 -0.512 1.066
92 HB3 PHE 13 1HB PHE 13 -2.897 0.953 0.097
93 HD1 PHE 13 1HD PHE 13 -2.255 -0.130 3.620
94 HD2 PHE 13 2HD PHE 13 -1.055 2.291 0.329
95 HE1 PHE 13 1HE PHE 13 -0.285 0.617 4.890
96 HE2 PHE 13 2HE PHE 13 0.913 3.042 1.595
97 HZ PHE 13 HZ PHE 13 1.302 2.206 3.878
98 H GLN 14 H GLN 14 -4.461 2.486 -0.382
99 HA GLN 14 HA GLN 14 -7.052 1.417 -1.269
100 HB2 GLN 14 2HB GLN 14 -6.335 4.009 -0.918
101 HB3 GLN 14 1HB GLN 14 -5.922 3.799 -2.614
102 HG2 GLN 14 2HG GLN 14 -8.056 4.402 -2.936
103 HG3 GLN 14 1HG GLN 14 -8.379 2.702 -2.596
104 HE21 GLN 14 1HE2 GLN 14 -8.334 2.380 -0.021
105 HE22 GLN 14 2HE2 GLN 14 -9.422 3.434 0.808
106 H TYR 15 H TYR 15 -6.713 -0.279 -2.578
107 HA TYR 15 HA TYR 15 -4.453 -0.606 -4.252
108 HB2 TYR 15 2HB TYR 15 -5.707 -2.536 -3.478
109 HB3 TYR 15 1HB TYR 15 -7.158 -1.964 -4.292
110 HD1 TYR 15 1HD TYR 15 -3.816 -3.426 -4.790
111 HD2 TYR 15 2HD TYR 15 -7.480 -2.320 -6.642
112 HE1 TYR 15 1HE TYR 15 -3.176 -4.696 -6.791
113 HE2 TYR 15 2HE TYR 15 -6.855 -3.586 -8.653
114 HH TYR 15 HH TYR 15 -4.318 -5.807 -8.712
115 H ASP 16 H ASP 16 -4.293 -0.513 -6.534
116 HA ASP 16 HA ASP 16 -6.343 1.148 -7.847
117 HB2 ASP 16 2HB ASP 16 -3.937 2.140 -7.228
118 HB3 ASP 16 1HB ASP 16 -3.520 1.377 -8.758
119 H GLU 17 H GLU 17 -6.816 0.716 -9.979
120 HA GLU 17 HA GLU 17 -5.951 -1.914 -10.931
121 HB2 GLU 17 2HB GLU 17 -7.827 -1.462 -12.667
122 HB3 GLU 17 1HB GLU 17 -8.272 -1.861 -11.015
123 HG2 GLU 17 2HG GLU 17 -9.106 0.204 -10.589
124 HG3 GLU 17 1HG GLU 17 -7.980 1.008 -11.680
125 H ASP 18 H ASP 18 -5.755 1.478 -11.749
126 HA ASP 18 HA ASP 18 -5.159 1.447 -14.426
127 HB2 ASP 18 2HB ASP 18 -5.167 3.379 -12.557
128 HB3 ASP 18 1HB ASP 18 -3.427 3.182 -12.746
129 H SER 19 H SER 19 -2.790 1.084 -11.769
130 HA SER 19 HA SER 19 -1.187 -0.637 -13.483
131 HB2 SER 19 2HB SER 19 0.076 1.791 -12.193
132 HB3 SER 19 1HB SER 19 0.852 0.626 -13.262
133 HG SER 19 HG SER 19 -0.754 2.780 -13.864
134 H GLU 20 H GLU 20 -2.741 -0.923 -10.965
135 HA GLU 20 HA GLU 20 -2.587 -1.901 -8.913
136 HB2 GLU 20 2HB GLU 20 0.036 -2.977 -9.944
137 HB3 GLU 20 1HB GLU 20 -0.957 -3.662 -8.666
138 HG2 GLU 20 2HG GLU 20 -2.313 -4.705 -10.107
139 HG3 GLU 20 1HG GLU 20 -2.338 -3.345 -11.228
140 H THR 21 H THR 21 -2.338 0.140 -7.847
141 HA THR 21 HA THR 21 0.272 0.385 -6.534
142 HB THR 21 HB THR 21 -1.269 2.825 -7.421
143 HG1 THR 21 1HG THR 21 0.730 1.380 -8.800
144 HG21 THR 21 3HG2 THR 21 0.635 4.065 -6.950
145 HG22 THR 21 1HG2 THR 21 1.671 2.640 -6.910
146 HG23 THR 21 2HG2 THR 21 0.526 2.933 -5.602
147 H TYR 22 H TYR 22 0.206 1.035 -4.395
148 HA TYR 22 HA TYR 22 -2.491 1.214 -3.217
149 HB2 TYR 22 2HB TYR 22 0.093 0.293 -1.936
150 HB3 TYR 22 1HB TYR 22 -1.470 0.379 -1.130
151 HD1 TYR 22 1HD TYR 22 0.490 -1.385 -3.699
152 HD2 TYR 22 2HD TYR 22 -3.139 -1.307 -1.482
153 HE1 TYR 22 1HE TYR 22 -0.010 -3.669 -4.452
154 HE2 TYR 22 2HE TYR 22 -3.650 -3.594 -2.227
155 HH TYR 22 HH TYR 22 -1.881 -5.674 -3.121
156 H PHE 23 H PHE 23 -3.046 2.944 -1.996
157 HA PHE 23 HA PHE 23 -0.949 4.936 -1.425
158 HB2 PHE 23 2HB PHE 23 -3.813 5.553 -2.178
159 HB3 PHE 23 1HB PHE 23 -2.523 6.718 -1.901
160 HD1 PHE 23 1HD PHE 23 -3.518 3.904 -4.114
161 HD2 PHE 23 2HD PHE 23 -1.200 7.446 -3.672
162 HE1 PHE 23 1HE PHE 23 -2.940 3.818 -6.502
163 HE2 PHE 23 2HE PHE 23 -0.618 7.367 -6.061
164 HZ PHE 23 HZ PHE 23 -1.489 5.551 -7.479
165 H TYR 24 H TYR 24 -1.429 6.402 0.375
166 HA TYR 24 HA TYR 24 -3.408 5.430 2.292
167 HB2 TYR 24 2HB TYR 24 -0.983 4.432 2.606
168 HB3 TYR 24 1HB TYR 24 -0.665 6.001 3.339
169 HD1 TYR 24 2HD TYR 24 -3.313 3.355 3.480
170 HD2 TYR 24 1HD TYR 24 -0.886 6.112 5.631
171 HE1 TYR 24 2HE TYR 24 -4.299 2.568 5.589
172 HE2 TYR 24 1HE TYR 24 -1.867 5.332 7.746
173 HH TYR 24 HH TYR 24 -3.001 3.202 8.584
174 HA PRO 25 HA PRO 25 -3.967 9.794 2.841
175 HB2 PRO 25 2HB PRO 25 -5.343 9.769 5.183
176 HB3 PRO 25 1HB PRO 25 -6.064 9.313 3.635
177 HG2 PRO 25 2HG PRO 25 -4.989 7.563 5.812
178 HG3 PRO 25 1HG PRO 25 -6.469 7.376 4.853
179 HD2 PRO 25 2HD PRO 25 -4.207 5.986 4.330
180 HD3 PRO 25 1HD PRO 25 -5.341 6.477 3.056
181 H CYS 26 H CYS 26 -2.462 11.204 3.472
182 HA CYS 26 HA CYS 26 -0.868 10.628 5.857
183 HB2 CYS 26 2HB CYS 26 -0.165 11.518 3.321
184 HB3 CYS 26 1HB CYS 26 -0.069 12.969 4.313
185 HA PRO 27 HA PRO 27 -2.901 13.741 8.248
186 HB2 PRO 27 2HB PRO 27 -0.877 14.421 9.943
187 HB3 PRO 27 1HB PRO 27 -1.812 12.930 10.092
188 HG2 PRO 27 2HG PRO 27 0.887 13.360 8.871
189 HG3 PRO 27 1HG PRO 27 0.328 12.043 9.919
190 HD2 PRO 27 2HD PRO 27 0.544 11.763 7.243
191 HD3 PRO 27 1HD PRO 27 -0.713 10.934 8.185
192 H CYS 28 H CYS 28 -0.016 14.429 6.433
193 HA CYS 28 HA CYS 28 0.037 17.239 7.010
194 HB2 CYS 28 2HB CYS 28 1.722 17.362 5.225
195 HB3 CYS 28 1HB CYS 28 2.082 16.062 6.354
196 H GLY 29 H GLY 29 -1.270 15.211 4.419
197 HA2 GLY 29 2HA GLY 29 -3.455 16.517 3.683
198 HA3 GLY 29 1HA GLY 29 -2.233 17.555 2.965
199 H ASP 30 H ASP 30 -0.395 15.608 2.128
200 HA ASP 30 HA ASP 30 -1.686 14.698 -0.278
201 HB2 ASP 30 2HB ASP 30 1.043 15.069 0.695
202 HB3 ASP 30 1HB ASP 30 0.864 13.585 -0.234
203 H ASN 31 H ASN 31 -0.728 12.312 -0.969
204 HA ASN 31 HA ASN 31 -1.398 10.470 1.228
205 HB2 ASN 31 2HB ASN 31 -2.304 10.021 -1.619
206 HB3 ASN 31 1HB ASN 31 -2.790 9.138 -0.175
207 HD21 ASN 31 1HD2 ASN 31 -3.434 11.092 1.575
208 HD22 ASN 31 2HD2 ASN 31 -4.763 12.017 0.978
209 H PHE 32 H PHE 32 -0.133 8.706 1.423
210 HA PHE 32 HA PHE 32 2.343 8.560 0.074
211 HB2 PHE 32 2HB PHE 32 0.856 6.772 1.962
212 HB3 PHE 32 1HB PHE 32 2.266 6.136 1.126
213 HD1 PHE 32 1HD PHE 32 4.424 7.605 1.289
214 HD2 PHE 32 2HD PHE 32 1.134 7.858 3.979
215 HE1 PHE 32 1HE PHE 32 5.895 8.603 2.990
216 HE2 PHE 32 2HE PHE 32 2.600 8.862 5.681
217 HZ PHE 32 HZ PHE 32 4.982 9.235 5.188
218 H SER 33 H SER 33 3.128 6.601 -1.144
219 HA SER 33 HA SER 33 1.102 5.140 -2.627
220 HB2 SER 33 2HB SER 33 2.223 5.785 -4.829
221 HB3 SER 33 1HB SER 33 1.215 7.018 -4.073
222 HG SER 33 HG SER 33 3.752 7.209 -4.764
223 H ILE 34 H ILE 34 1.773 3.182 -3.347
224 HA ILE 34 HA ILE 34 4.594 2.539 -3.534
225 HB ILE 34 HB ILE 34 4.178 2.152 -1.154
226 HG12 ILE 34 2HG1 ILE 34 4.262 -0.640 -2.127
227 HG13 ILE 34 1HG1 ILE 34 5.426 0.457 -2.866
228 HG21 ILE 34 1HG2 ILE 34 2.452 0.959 -0.279
229 HG22 ILE 34 2HG2 ILE 34 2.310 -0.089 -1.690
230 HG23 ILE 34 3HG2 ILE 34 1.666 1.552 -1.742
231 HD11 ILE 34 3HD1 ILE 34 5.618 -0.867 -0.404
232 HD12 ILE 34 1HD1 ILE 34 5.417 0.846 -0.037
233 HD13 ILE 34 2HD1 ILE 34 6.729 0.320 -1.090
234 H THR 35 H THR 35 4.889 1.258 -5.231
235 HA THR 35 HA THR 35 2.679 0.206 -6.702
236 HB THR 35 HB THR 35 4.532 -0.780 -8.147
237 HG1 THR 35 1HG THR 35 6.601 -0.264 -7.661
238 HG21 THR 35 3HG2 THR 35 4.946 1.184 -9.243
239 HG22 THR 35 1HG2 THR 35 5.106 2.112 -7.750
240 HG23 THR 35 2HG2 THR 35 3.510 1.614 -8.314
241 H LYS 36 H LYS 36 2.165 -1.951 -7.169
242 HA LYS 36 HA LYS 36 2.292 -3.759 -5.023
243 HB2 LYS 36 2HB LYS 36 0.522 -3.838 -6.719
244 HB3 LYS 36 1HB LYS 36 1.695 -4.312 -7.939
245 HG2 LYS 36 2HG LYS 36 0.939 -6.374 -7.455
246 HG3 LYS 36 1HG LYS 36 2.108 -6.263 -6.140
247 HD2 LYS 36 2HD LYS 36 0.428 -5.691 -4.571
248 HD3 LYS 36 1HD LYS 36 -0.759 -5.399 -5.843
249 HE2 LYS 36 2HE LYS 36 -0.046 -7.989 -6.324
250 HE3 LYS 36 1HE LYS 36 0.067 -7.906 -4.567
251 HZ1 LYS 36 3HZ LYS 36 -2.166 -7.452 -4.357
252 HZ2 LYS 36 1HZ LYS 36 -2.171 -8.509 -5.678
253 HZ3 LYS 36 2HZ LYS 36 -2.319 -6.844 -5.928
254 H GLU 37 H GLU 37 4.264 -3.452 -7.939
255 HA GLU 37 HA GLU 37 5.690 -5.862 -7.734
256 HB2 GLU 37 2HB GLU 37 5.627 -4.124 -9.655
257 HB3 GLU 37 1HB GLU 37 6.925 -3.328 -8.777
258 HG2 GLU 37 2HG GLU 37 8.277 -4.626 -9.977
259 HG3 GLU 37 1HG GLU 37 7.813 -5.899 -8.849
260 H ASP 38 H ASP 38 6.209 -2.705 -6.233
261 HA ASP 38 HA ASP 38 8.781 -3.070 -5.214
262 HB2 ASP 38 2HB ASP 38 6.439 -1.386 -4.461
263 HB3 ASP 38 1HB ASP 38 7.711 -1.572 -3.260
264 H LEU 39 H LEU 39 5.640 -3.854 -3.759
265 HA LEU 39 HA LEU 39 6.596 -4.856 -1.326
266 HB2 LEU 39 2HB LEU 39 4.132 -5.772 -2.804
267 HB3 LEU 39 1HB LEU 39 4.432 -5.908 -1.082
268 HG LEU 39 HG LEU 39 4.303 -3.230 -2.439
269 HD11 LEU 39 1HD1 LEU 39 1.935 -3.154 -1.633
270 HD12 LEU 39 2HD1 LEU 39 2.034 -4.897 -1.384
271 HD13 LEU 39 3HD1 LEU 39 2.227 -4.227 -3.003
272 HD21 LEU 39 3HD2 LEU 39 5.208 -3.727 -0.032
273 HD22 LEU 39 1HD2 LEU 39 3.493 -3.829 0.370
274 HD23 LEU 39 2HD2 LEU 39 4.152 -2.346 -0.323
275 H GLU 40 H GLU 40 5.884 -6.524 -4.386
276 HA GLU 40 HA GLU 40 6.442 -9.132 -3.517
277 HB2 GLU 40 2HB GLU 40 6.820 -7.965 -6.281
278 HB3 GLU 40 1HB GLU 40 6.743 -9.678 -5.893
279 HG2 GLU 40 2HG GLU 40 4.455 -9.499 -5.239
280 HG3 GLU 40 1HG GLU 40 4.503 -7.741 -5.367
281 H ASN 41 H ASN 41 8.572 -6.542 -4.569
282 HA ASN 41 HA ASN 41 10.893 -8.257 -4.721
283 HB2 ASN 41 2HB ASN 41 10.307 -5.390 -5.230
284 HB3 ASN 41 1HB ASN 41 11.960 -5.795 -4.776
285 HD21 ASN 41 1HD2 ASN 41 13.284 -6.523 -6.294
286 HD22 ASN 41 2HD2 ASN 41 12.813 -7.015 -7.881
287 H GLY 42 H GLY 42 9.553 -5.903 -2.439
288 HA2 GLY 42 2HA GLY 42 10.214 -6.738 -0.068
289 HA3 GLY 42 1HA GLY 42 11.829 -6.344 -0.638
290 H GLU 43 H GLU 43 10.262 -4.081 -2.204
291 HA GLU 43 HA GLU 43 10.904 -2.014 -0.372
292 HB2 GLU 43 2HB GLU 43 9.612 -2.111 -3.078
293 HB3 GLU 43 1HB GLU 43 9.612 -0.615 -2.158
294 HG2 GLU 43 2HG GLU 43 12.198 -1.180 -1.973
295 HG3 GLU 43 1HG GLU 43 11.846 -2.038 -3.474
296 H ASP 44 H ASP 44 9.605 -2.650 1.442
297 HA ASP 44 HA ASP 44 6.723 -2.218 1.193
298 HB2 ASP 44 2HB ASP 44 6.657 -3.081 3.554
299 HB3 ASP 44 1HB ASP 44 7.259 -4.227 2.366
300 H VAL 45 H VAL 45 8.275 0.044 0.850
301 HA VAL 45 HA VAL 45 7.556 1.594 3.240
302 HB VAL 45 HB VAL 45 9.990 1.295 3.260
303 HG11 VAL 45 1HG1 VAL 45 10.343 2.965 0.830
304 HG12 VAL 45 2HG1 VAL 45 9.956 1.261 0.605
305 HG13 VAL 45 3HG1 VAL 45 11.393 1.725 1.515
306 HG21 VAL 45 3HG2 VAL 45 9.256 4.121 2.509
307 HG22 VAL 45 1HG2 VAL 45 10.595 3.604 3.535
308 HG23 VAL 45 2HG2 VAL 45 8.931 3.388 4.080
309 H ALA 46 H ALA 46 6.499 3.457 2.864
310 HA ALA 46 HA ALA 46 6.171 4.264 0.051
311 HB1 ALA 46 1HB ALA 46 4.152 5.270 1.900
312 HB2 ALA 46 2HB ALA 46 4.204 3.509 1.818
313 HB3 ALA 46 3HB ALA 46 3.963 4.454 0.348
314 H THR 47 H THR 47 6.557 6.344 -0.522
315 HA THR 47 HA THR 47 7.424 8.169 1.623
316 HB THR 47 HB THR 47 8.407 8.289 -1.228
317 HG1 THR 47 1HG THR 47 9.472 6.827 0.955
318 HG21 THR 47 3HG2 THR 47 8.712 10.158 0.627
319 HG22 THR 47 1HG2 THR 47 9.972 9.770 -0.543
320 HG23 THR 47 2HG2 THR 47 10.052 9.108 1.088
321 H CYS 48 H CYS 48 6.480 10.110 1.761
322 HA CYS 48 HA CYS 48 4.391 10.763 -0.181
323 HB2 CYS 48 2HB CYS 48 3.861 10.694 2.262
324 HB3 CYS 48 1HB CYS 48 4.961 12.047 2.500
325 HA PRO 49 HA PRO 49 7.303 13.615 -2.116
326 HB2 PRO 49 2HB PRO 49 4.759 14.617 -3.288
327 HB3 PRO 49 1HB PRO 49 6.270 14.168 -4.088
328 HG2 PRO 49 2HG PRO 49 4.161 12.560 -4.200
329 HG3 PRO 49 1HG PRO 49 5.793 11.896 -4.000
330 HD2 PRO 49 2HD PRO 49 3.626 12.247 -1.970
331 HD3 PRO 49 1HD PRO 49 4.793 10.922 -2.156
332 H SER 50 H SER 50 4.505 14.477 -0.208
333 HA SER 50 HA SER 50 5.093 17.305 -0.239
334 HB2 SER 50 2HB SER 50 2.964 15.575 0.876
335 HB3 SER 50 1HB SER 50 3.313 17.050 1.782
336 HG SER 50 HG SER 50 2.532 18.216 0.197
337 H CYS 51 H CYS 51 4.636 15.197 2.610
338 HA CYS 51 HA CYS 51 6.421 16.799 4.171
339 HB2 CYS 51 2HB CYS 51 5.987 15.194 5.966
340 HB3 CYS 51 1HB CYS 51 4.491 15.710 5.197
341 H SER 52 H SER 52 6.818 13.977 2.213
342 HA SER 52 HA SER 52 8.623 12.721 1.664
343 HB2 SER 52 2HB SER 52 9.845 15.214 2.710
344 HB3 SER 52 1HB SER 52 10.906 13.811 2.597
345 HG SER 52 HG SER 52 10.340 15.399 0.668
346 H LEU 53 H LEU 53 7.205 11.869 3.817
347 HA LEU 53 HA LEU 53 9.177 11.083 5.844
348 HB2 LEU 53 2HB LEU 53 6.257 11.479 5.819
349 HB3 LEU 53 1HB LEU 53 6.799 10.080 6.724
350 HG LEU 53 HG LEU 53 8.416 11.720 7.898
351 HD11 LEU 53 1HD1 LEU 53 7.515 13.502 6.082
352 HD12 LEU 53 2HD1 LEU 53 8.174 13.945 7.656
353 HD13 LEU 53 3HD1 LEU 53 6.429 13.840 7.430
354 HD21 LEU 53 3HD2 LEU 53 6.388 10.611 8.866
355 HD22 LEU 53 1HD2 LEU 53 5.470 12.052 8.424
356 HD23 LEU 53 2HD2 LEU 53 6.795 12.171 9.582
357 H ILE 54 H ILE 54 8.497 8.757 6.772
358 HA ILE 54 HA ILE 54 8.258 6.927 4.471
359 HB ILE 54 HB ILE 54 9.831 5.396 5.729
360 HG12 ILE 54 2HG1 ILE 54 10.635 7.926 7.177
361 HG13 ILE 54 1HG1 ILE 54 9.601 6.697 7.899
362 HG21 ILE 54 1HG2 ILE 54 10.669 7.978 4.474
363 HG22 ILE 54 2HG2 ILE 54 10.753 6.340 3.828
364 HG23 ILE 54 3HG2 ILE 54 11.881 6.851 5.084
365 HD11 ILE 54 3HD1 ILE 54 11.699 5.198 7.062
366 HD12 ILE 54 1HD1 ILE 54 11.523 5.874 8.680
367 HD13 ILE 54 2HD1 ILE 54 12.493 6.717 7.473
368 H ILE 55 H ILE 55 7.120 5.039 4.783
369 HA ILE 55 HA ILE 55 6.007 4.507 7.444
370 HB ILE 55 HB ILE 55 3.771 4.065 6.472
371 HG12 ILE 55 2HG1 ILE 55 4.499 5.685 4.066
372 HG13 ILE 55 1HG1 ILE 55 4.869 3.965 4.069
373 HG21 ILE 55 1HG2 ILE 55 4.824 6.872 6.189
374 HG22 ILE 55 2HG2 ILE 55 4.121 6.134 7.628
375 HG23 ILE 55 3HG2 ILE 55 3.114 6.443 6.213
376 HD11 ILE 55 3HD1 ILE 55 2.435 5.213 3.450
377 HD12 ILE 55 1HD1 ILE 55 2.188 4.346 4.964
378 HD13 ILE 55 2HD1 ILE 55 2.780 3.486 3.541
379 H LYS 56 H LYS 56 5.115 2.330 7.669
380 HA LYS 56 HA LYS 56 6.513 0.444 5.904
381 HB2 LYS 56 2HB LYS 56 6.567 0.607 8.623
382 HB3 LYS 56 1HB LYS 56 5.297 -0.586 8.384
383 HG2 LYS 56 2HG LYS 56 7.988 -0.819 7.075
384 HG3 LYS 56 1HG LYS 56 7.648 -1.461 8.682
385 HD2 LYS 56 2HD LYS 56 5.738 -2.736 7.651
386 HD3 LYS 56 1HD LYS 56 6.354 -2.240 6.074
387 HE2 LYS 56 2HE LYS 56 7.260 -4.374 6.432
388 HE3 LYS 56 1HE LYS 56 8.573 -3.255 6.796
389 HZ1 LYS 56 3HZ LYS 56 6.960 -4.882 8.649
390 HZ2 LYS 56 1HZ LYS 56 7.708 -3.469 9.201
391 HZ3 LYS 56 2HZ LYS 56 8.640 -4.723 8.557
392 H VAL 57 H VAL 57 5.525 -0.964 4.694
393 HA VAL 57 HA VAL 57 2.590 -1.070 4.828
394 HB VAL 57 HB VAL 57 3.952 -2.086 2.399
395 HG11 VAL 57 1HG1 VAL 57 1.557 -0.368 2.984
396 HG12 VAL 57 2HG1 VAL 57 1.568 -2.062 2.498
397 HG13 VAL 57 3HG1 VAL 57 2.072 -0.813 1.358
398 HG21 VAL 57 3HG2 VAL 57 5.285 -0.062 2.925
399 HG22 VAL 57 1HG2 VAL 57 3.798 0.884 2.937
400 HG23 VAL 57 2HG2 VAL 57 4.338 0.106 1.450
401 H ILE 58 H ILE 58 1.847 -2.848 5.775
402 HA ILE 58 HA ILE 58 3.429 -5.307 5.709
403 HB ILE 58 HB ILE 58 0.863 -4.815 7.223
404 HG12 ILE 58 2HG1 ILE 58 2.611 -3.189 7.887
405 HG13 ILE 58 1HG1 ILE 58 2.231 -4.324 9.177
406 HG21 ILE 58 1HG2 ILE 58 1.114 -7.085 7.267
407 HG22 ILE 58 2HG2 ILE 58 2.088 -6.648 8.670
408 HG23 ILE 58 3HG2 ILE 58 2.871 -7.007 7.131
409 HD11 ILE 58 3HD1 ILE 58 4.243 -5.589 8.676
410 HD12 ILE 58 1HD1 ILE 58 4.624 -3.900 9.008
411 HD13 ILE 58 2HD1 ILE 58 4.614 -4.491 7.347
412 H TYR 59 H TYR 59 2.841 -7.115 4.640
413 HA TYR 59 HA TYR 59 0.158 -7.472 3.603
414 HB2 TYR 59 2HB TYR 59 1.038 -7.783 1.243
415 HB3 TYR 59 1HB TYR 59 1.015 -6.119 1.821
416 HD1 TYR 59 2HD TYR 59 3.154 -5.066 2.595
417 HD2 TYR 59 1HD TYR 59 3.073 -8.820 0.590
418 HE1 TYR 59 2HE TYR 59 5.553 -4.851 2.110
419 HE2 TYR 59 1HE TYR 59 5.474 -8.618 0.104
420 HH TYR 59 HH TYR 59 7.501 -7.093 1.479
421 H ASP 60 H ASP 60 0.262 -9.575 2.073
422 HA ASP 60 HA ASP 60 1.587 -11.589 3.712
423 HB2 ASP 60 2HB ASP 60 -0.892 -11.653 2.881
424 HB3 ASP 60 1HB ASP 60 -0.186 -12.251 1.383
425 H LYS 61 H LYS 61 3.690 -11.730 3.155
426 HA LYS 61 HA LYS 61 4.769 -11.426 0.590
427 HB2 LYS 61 2HB LYS 61 5.761 -12.812 3.067
428 HB3 LYS 61 1HB LYS 61 6.704 -12.811 1.583
429 HG2 LYS 61 2HG LYS 61 5.741 -10.173 2.446
430 HG3 LYS 61 1HG LYS 61 6.902 -10.948 3.527
431 HD2 LYS 61 2HD LYS 61 8.053 -11.396 1.108
432 HD3 LYS 61 1HD LYS 61 7.274 -9.838 0.830
433 HE2 LYS 61 2HE LYS 61 8.653 -8.747 2.246
434 HE3 LYS 61 1HE LYS 61 8.727 -10.097 3.376
435 HZ1 LYS 61 3HZ LYS 61 10.086 -10.297 0.771
436 HZ2 LYS 61 1HZ LYS 61 10.441 -11.083 2.227
437 HZ3 LYS 61 2HZ LYS 61 10.817 -9.445 2.036
438 H ASP 62 H ASP 62 3.310 -14.202 2.145
439 HA ASP 62 HA ASP 62 4.299 -16.199 0.407
440 HB2 ASP 62 2HB ASP 62 2.069 -15.996 2.372
441 HB3 ASP 62 1HB ASP 62 1.996 -17.302 1.193
442 H GLN 63 H GLN 63 1.451 -14.102 0.277
443 HA GLN 63 HA GLN 63 0.337 -15.364 -2.041
444 HB2 GLN 63 2HB GLN 63 -0.209 -12.749 -0.646
445 HB3 GLN 63 1HB GLN 63 -1.042 -13.211 -2.124
446 HG2 GLN 63 2HG GLN 63 -1.080 -15.272 -0.057
447 HG3 GLN 63 1HG GLN 63 -1.873 -13.770 0.411
448 HE21 GLN 63 1HE2 GLN 63 -3.976 -14.156 0.231
449 HE22 GLN 63 2HE2 GLN 63 -4.764 -14.805 -1.163
450 H PHE 64 H PHE 64 2.302 -12.472 -1.458
451 HA PHE 64 HA PHE 64 2.314 -11.572 -4.149
452 HB2 PHE 64 2HB PHE 64 4.026 -10.978 -1.747
453 HB3 PHE 64 1HB PHE 64 4.430 -10.319 -3.329
454 HD1 PHE 64 1HD PHE 64 1.289 -10.720 -1.333
455 HD2 PHE 64 2HD PHE 64 3.811 -8.130 -3.579
456 HE1 PHE 64 1HE PHE 64 -0.292 -8.873 -0.970
457 HE2 PHE 64 2HE PHE 64 2.234 -6.279 -3.220
458 HZ PHE 64 HZ PHE 64 0.178 -6.647 -1.914
459 H VAL 65 H VAL 65 4.592 -13.542 -2.259
460 HA VAL 65 HA VAL 65 6.139 -14.070 -4.700
461 HB VAL 65 HB VAL 65 6.838 -14.839 -1.861
462 HG11 VAL 65 1HG1 VAL 65 8.927 -14.481 -3.908
463 HG12 VAL 65 2HG1 VAL 65 7.864 -15.869 -4.133
464 HG13 VAL 65 3HG1 VAL 65 8.775 -15.691 -2.634
465 HG21 VAL 65 3HG2 VAL 65 6.686 -12.273 -2.746
466 HG22 VAL 65 1HG2 VAL 65 8.355 -12.677 -3.143
467 HG23 VAL 65 2HG2 VAL 65 7.780 -12.836 -1.484
468 H SER 66 H SER 66 4.513 -15.475 -5.604
469 HA SER 66 HA SER 66 4.318 -18.093 -4.260
470 HB2 SER 66 2HB SER 66 2.438 -16.798 -6.250
471 HB3 SER 66 1HB SER 66 2.264 -18.441 -5.630
472 HG SER 66 HG SER 66 1.058 -16.668 -4.540
473 H GLY 67 H GLY 67 6.197 -19.003 -5.104
474 HA2 GLY 67 2HA GLY 67 6.428 -19.151 -8.030
475 HA3 GLY 67 1HA GLY 67 7.702 -19.529 -6.879
476 H GLU 68 H GLU 68 6.455 -21.298 -5.184
477 HA GLU 68 HA GLU 68 5.986 -23.571 -6.987
478 HB2 GLU 68 2HB GLU 68 7.239 -23.310 -4.283
479 HB3 GLU 68 1HB GLU 68 6.512 -24.844 -4.743
480 HG2 GLU 68 2HG GLU 68 8.526 -25.303 -5.586
481 HG3 GLU 68 1HG GLU 68 8.008 -24.299 -6.937
482 H THR 69 H THR 69 3.871 -21.718 -6.256
483 HA THR 69 HA THR 69 1.960 -23.664 -5.271
484 HB THR 69 HB THR 69 2.037 -20.958 -3.942
485 HG1 THR 69 1HG THR 69 3.259 -23.371 -3.106
486 HG21 THR 69 3HG2 THR 69 -0.064 -21.896 -3.604
487 HG22 THR 69 1HG2 THR 69 0.837 -22.296 -2.142
488 HG23 THR 69 2HG2 THR 69 0.593 -23.519 -3.389
489 H VAL 70 H VAL 70 0.145 -23.538 -6.424
490 HA VAL 70 HA VAL 70 -0.330 -21.111 -8.021
491 HB VAL 70 HB VAL 70 -1.644 -23.775 -8.497
492 HG11 VAL 70 1HG1 VAL 70 -2.713 -21.965 -9.624
493 HG12 VAL 70 2HG1 VAL 70 -1.790 -22.872 -10.824
494 HG13 VAL 70 3HG1 VAL 70 -1.169 -21.342 -10.206
495 HG21 VAL 70 3HG2 VAL 70 0.774 -24.143 -8.551
496 HG22 VAL 70 1HG2 VAL 70 0.952 -22.816 -9.699
497 HG23 VAL 70 2HG2 VAL 70 0.072 -24.273 -10.163
498 HA PRO 71 HA PRO 71 -3.992 -20.523 -5.554
499 HB2 PRO 71 2HB PRO 71 -4.936 -18.326 -6.762
500 HB3 PRO 71 1HB PRO 71 -3.435 -18.290 -5.829
501 HG2 PRO 71 2HG PRO 71 -3.831 -18.330 -8.780
502 HG3 PRO 71 1HG PRO 71 -2.589 -17.506 -7.824
503 HD2 PRO 71 2HD PRO 71 -2.292 -19.940 -9.179
504 HD3 PRO 71 1HD PRO 71 -1.199 -19.296 -7.942
505 H ALA 72 H ALA 72 -4.375 -22.652 -7.261
506 HA ALA 72 HA ALA 72 -6.987 -22.063 -8.492
507 HB1 ALA 72 1HB ALA 72 -6.571 -23.599 -10.221
508 HB2 ALA 72 2HB ALA 72 -5.176 -24.287 -9.389
509 HB3 ALA 72 3HB ALA 72 -5.085 -22.661 -10.066
510 HA PRO 73 HA PRO 73 -8.518 -24.784 -5.273
511 HB2 PRO 73 2HB PRO 73 -10.915 -24.811 -7.026
512 HB3 PRO 73 1HB PRO 73 -10.779 -24.397 -5.314
513 HG2 PRO 73 2HG PRO 73 -11.140 -22.505 -7.154
514 HG3 PRO 73 1HG PRO 73 -10.076 -22.231 -5.761
515 HD2 PRO 73 2HD PRO 73 -9.367 -22.870 -8.596
516 HD3 PRO 73 1HD PRO 73 -8.583 -21.750 -7.462
517 H SER 74 H SER 74 -9.703 -26.910 -5.198
518 HA SER 74 HA SER 74 -8.356 -28.812 -6.829
519 HB2 SER 74 2HB SER 74 -9.261 -29.030 -4.381
520 HB3 SER 74 1HB SER 74 -10.756 -29.527 -5.172
521 HG SER 74 HG SER 74 -9.816 -31.325 -5.861
522 H ALA 75 H ALA 75 -11.626 -27.469 -6.844
523 HA ALA 75 HA ALA 75 -12.099 -28.866 -9.394
524 HB1 ALA 75 1HB ALA 75 -14.274 -29.440 -8.831
525 HB2 ALA 75 2HB ALA 75 -14.358 -28.256 -7.527
526 HB3 ALA 75 3HB ALA 75 -13.400 -29.722 -7.325
527 H ASN 76 H ASN 76 -12.635 -27.581 -11.046
528 HA ASN 76 HA ASN 76 -12.675 -24.762 -10.765
529 HB2 ASN 76 2HB ASN 76 -12.994 -26.696 -13.000
530 HB3 ASN 76 1HB ASN 76 -13.646 -25.081 -13.255
531 HD21 ASN 76 1HD2 ASN 76 -11.647 -25.950 -14.847
532 HD22 ASN 76 2HD2 ASN 76 -10.178 -25.120 -14.481
533 H LYS 77 H LYS 77 -14.357 -23.274 -11.084
534 HA LYS 77 HA LYS 77 -17.035 -24.341 -10.491
535 HB2 LYS 77 2HB LYS 77 -17.496 -21.955 -9.742
536 HB3 LYS 77 1HB LYS 77 -16.382 -22.885 -8.751
537 HG2 LYS 77 2HG LYS 77 -14.580 -21.612 -9.334
538 HG3 LYS 77 1HG LYS 77 -15.249 -21.191 -10.912
539 HD2 LYS 77 2HD LYS 77 -16.839 -19.680 -9.853
540 HD3 LYS 77 1HD LYS 77 -16.228 -20.133 -8.261
541 HE2 LYS 77 2HE LYS 77 -14.223 -19.015 -8.570
542 HE3 LYS 77 1HE LYS 77 -14.356 -19.051 -10.327
543 HZ1 LYS 77 3HZ LYS 77 -16.328 -17.520 -8.772
544 HZ2 LYS 77 1HZ LYS 77 -15.766 -17.260 -10.347
545 HZ3 LYS 77 2HZ LYS 77 -14.791 -16.862 -9.024
546 H GLU 78 H GLU 78 -18.884 -23.441 -11.522
547 HA GLU 78 HA GLU 78 -18.459 -21.741 -13.850
548 HB2 GLU 78 2HB GLU 78 -19.227 -24.616 -13.968
549 HB3 GLU 78 1HB GLU 78 -20.059 -23.512 -15.057
550 HG2 GLU 78 2HG GLU 78 -17.945 -22.799 -15.997
551 HG3 GLU 78 1HG GLU 78 -17.073 -23.829 -14.863
552 H LEU 79 H LEU 79 -19.752 -20.127 -13.076
553 HA LEU 79 HA LEU 79 -22.546 -20.369 -13.362
554 HB2 LEU 79 2HB LEU 79 -23.218 -19.918 -11.020
555 HB3 LEU 79 1HB LEU 79 -22.542 -21.517 -11.259
556 HG LEU 79 HG LEU 79 -20.759 -19.318 -10.297
557 HD11 LEU 79 1HD1 LEU 79 -22.256 -18.954 -8.634
558 HD12 LEU 79 2HD1 LEU 79 -21.466 -20.381 -7.961
559 HD13 LEU 79 3HD1 LEU 79 -23.005 -20.541 -8.806
560 HD21 LEU 79 3HD2 LEU 79 -20.051 -21.499 -8.941
561 HD22 LEU 79 1HD2 LEU 79 -19.465 -21.161 -10.570
562 HD23 LEU 79 2HD2 LEU 79 -20.808 -22.279 -10.329
563 H VAL 80 H VAL 80 -23.310 -18.429 -13.895
564 HA VAL 80 HA VAL 80 -21.741 -16.051 -13.127
565 HB VAL 80 HB VAL 80 -23.590 -16.279 -15.508
566 HG11 VAL 80 1HG1 VAL 80 -22.944 -14.173 -16.104
567 HG12 VAL 80 2HG1 VAL 80 -21.378 -14.303 -15.305
568 HG13 VAL 80 3HG1 VAL 80 -22.835 -14.025 -14.351
569 HG21 VAL 80 3HG2 VAL 80 -21.228 -16.190 -16.692
570 HG22 VAL 80 1HG2 VAL 80 -21.961 -17.719 -16.209
571 HG23 VAL 80 2HG2 VAL 80 -20.716 -16.981 -15.201
572 H LYS 81 H LYS 81 -22.840 -15.632 -11.196
573 HA LYS 81 HA LYS 81 -25.707 -15.012 -11.440
574 HB2 LYS 81 2HB LYS 81 -24.008 -16.025 -9.216
575 HB3 LYS 81 1HB LYS 81 -25.342 -14.962 -8.790
576 HG2 LYS 81 2HG LYS 81 -26.624 -16.666 -10.428
577 HG3 LYS 81 1HG LYS 81 -25.366 -17.732 -9.794
578 HD2 LYS 81 2HD LYS 81 -26.733 -16.049 -7.797
579 HD3 LYS 81 1HD LYS 81 -27.736 -17.279 -8.569
580 HE2 LYS 81 2HE LYS 81 -25.652 -18.810 -8.039
581 HE3 LYS 81 1HE LYS 81 -25.359 -17.589 -6.801
582 HZ1 LYS 81 3HZ LYS 81 -27.875 -18.013 -6.297
583 HZ2 LYS 81 1HZ LYS 81 -26.687 -19.047 -5.676
584 HZ3 LYS 81 2HZ LYS 81 -27.572 -19.500 -7.044
585 H LEU 82 H LEU 82 -25.887 -12.919 -12.011
586 HA LEU 82 HA LEU 82 -24.546 -10.935 -10.299
587 HB2 LEU 82 2HB LEU 82 -24.741 -11.005 -13.292
588 HB3 LEU 82 1HB LEU 82 -24.581 -9.477 -12.447
589 HG LEU 82 HG LEU 82 -22.609 -11.617 -11.816
590 HD11 LEU 82 1HD1 LEU 82 -22.281 -9.879 -14.244
591 HD12 LEU 82 2HD1 LEU 82 -22.903 -11.527 -14.333
592 HD13 LEU 82 3HD1 LEU 82 -21.277 -11.229 -13.716
593 HD21 LEU 82 3HD2 LEU 82 -21.126 -9.550 -11.823
594 HD22 LEU 82 1HD2 LEU 82 -22.361 -9.641 -10.566
595 HD23 LEU 82 2HD2 LEU 82 -22.615 -8.617 -11.978
596 H GLU 83 H GLU 83 -27.178 -11.994 -9.982
597 HA GLU 83 HA GLU 83 -29.036 -10.030 -11.015
598 HB2 GLU 83 2HB GLU 83 -29.326 -12.639 -10.334
599 HB3 GLU 83 1HB GLU 83 -29.906 -11.868 -8.866
600 HG2 GLU 83 2HG GLU 83 -31.878 -11.791 -9.892
601 HG3 GLU 83 1HG GLU 83 -31.200 -10.450 -10.814
602 H HIS 84 H HIS 84 -30.697 -9.192 -9.279
603 HA HIS 84 HA HIS 84 -29.217 -8.186 -6.941
604 HB2 HIS 84 2HB HIS 84 -30.382 -6.006 -7.231
605 HB3 HIS 84 1HB HIS 84 -29.285 -6.381 -8.552
606 HD1 HIS 84 1HD HIS 84 -30.375 -6.999 -10.853
607 HD2 HIS 84 2HD HIS 84 -33.056 -5.761 -7.929
608 HE1 HIS 84 1HE HIS 84 -32.523 -6.523 -12.069
609 HE2 HIS 84 2HE HIS 84 -34.163 -5.892 -10.264
Start of MODEL 4
1 H1 MET 1 1HT MET 1 12.154 -2.709 12.498
2 H2 MET 1 2HT MET 1 13.661 -2.387 13.256
3 H3 MET 1 3HT MET 1 13.476 -2.141 11.567
4 HA MET 1 HA MET 1 11.949 -0.393 11.927
5 HB2 MET 1 2HB MET 1 11.369 -1.640 14.247
6 HB3 MET 1 1HB MET 1 12.441 -0.387 14.857
7 HG2 MET 1 2HG MET 1 10.048 0.168 13.126
8 HG3 MET 1 1HG MET 1 10.008 0.176 14.887
9 HE1 MET 1 2HE MET 1 9.243 2.793 12.887
10 HE2 MET 1 3HE MET 1 9.796 3.970 14.078
11 HE3 MET 1 1HE MET 1 8.939 2.522 14.603
12 H ALA 2 H ALA 2 12.852 1.579 11.686
13 HA ALA 2 HA ALA 2 15.451 2.099 12.961
14 HB1 ALA 2 1HB ALA 2 15.842 3.389 10.653
15 HB2 ALA 2 2HB ALA 2 14.803 2.086 10.071
16 HB3 ALA 2 3HB ALA 2 16.314 1.708 10.899
17 H VAL 3 H VAL 3 13.280 3.877 10.735
18 HA VAL 3 HA VAL 3 12.704 5.825 12.832
19 HB VAL 3 HB VAL 3 13.245 7.734 11.308
20 HG11 VAL 3 1HG1 VAL 3 15.484 7.868 11.963
21 HG12 VAL 3 2HG1 VAL 3 15.718 6.125 11.844
22 HG13 VAL 3 3HG1 VAL 3 14.748 6.796 13.155
23 HG21 VAL 3 3HG2 VAL 3 13.402 5.941 9.322
24 HG22 VAL 3 1HG2 VAL 3 15.109 6.049 9.748
25 HG23 VAL 3 2HG2 VAL 3 14.224 7.500 9.277
26 H PHE 4 H PHE 4 11.174 3.825 11.200
27 HA PHE 4 HA PHE 4 9.567 5.291 9.346
28 HB2 PHE 4 2HB PHE 4 9.530 2.542 10.501
29 HB3 PHE 4 1HB PHE 4 8.043 3.150 9.786
30 HD1 PHE 4 1HD PHE 4 11.604 3.594 8.760
31 HD2 PHE 4 2HD PHE 4 7.756 2.056 7.789
32 HE1 PHE 4 1HE PHE 4 12.420 2.967 6.527
33 HE2 PHE 4 2HE PHE 4 8.566 1.428 5.555
34 HZ PHE 4 HZ PHE 4 10.901 1.882 4.920
35 H HIS 5 H HIS 5 7.462 6.042 9.557
36 HA HIS 5 HA HIS 5 6.756 7.140 12.065
37 HB2 HIS 5 2HB HIS 5 6.095 7.927 9.684
38 HB3 HIS 5 1HB HIS 5 4.789 6.755 9.814
39 HD1 HIS 5 1HD HIS 5 6.128 9.472 12.135
40 HD2 HIS 5 2HD HIS 5 2.553 8.021 10.593
41 HE1 HIS 5 1HE HIS 5 4.330 10.924 13.125
42 HE2 HIS 5 2HE HIS 5 2.178 10.064 12.134
43 H ASP 6 H ASP 6 4.951 4.726 10.141
44 HA ASP 6 HA ASP 6 4.553 3.016 12.396
45 HB2 ASP 6 2HB ASP 6 2.468 4.988 11.662
46 HB3 ASP 6 1HB ASP 6 1.901 3.340 11.909
47 H GLU 7 H GLU 7 3.779 0.985 11.805
48 HA GLU 7 HA GLU 7 3.789 0.467 8.933
49 HB2 GLU 7 2HB GLU 7 3.632 -1.579 11.148
50 HB3 GLU 7 1HB GLU 7 4.104 -1.841 9.476
51 HG2 GLU 7 2HG GLU 7 6.186 -1.734 10.251
52 HG3 GLU 7 1HG GLU 7 5.930 0.009 10.279
53 H VAL 8 H VAL 8 2.045 -0.164 7.779
54 HA VAL 8 HA VAL 8 -0.439 -0.794 9.228
55 HB VAL 8 HB VAL 8 -0.360 0.975 6.782
56 HG11 VAL 8 1HG1 VAL 8 -2.654 1.278 7.082
57 HG12 VAL 8 2HG1 VAL 8 -2.617 0.660 8.731
58 HG13 VAL 8 3HG1 VAL 8 -2.415 -0.444 7.372
59 HG21 VAL 8 3HG2 VAL 8 -0.629 2.879 8.140
60 HG22 VAL 8 1HG2 VAL 8 0.696 1.977 8.871
61 HG23 VAL 8 2HG2 VAL 8 -0.913 1.911 9.585
62 H GLU 9 H GLU 9 -1.746 -2.311 8.303
63 HA GLU 9 HA GLU 9 -0.585 -4.142 6.484
64 HB2 GLU 9 2HB GLU 9 -3.474 -3.920 7.354
65 HB3 GLU 9 1HB GLU 9 -2.738 -5.313 6.575
66 HG2 GLU 9 2HG GLU 9 -1.377 -5.756 8.478
67 HG3 GLU 9 1HG GLU 9 -1.841 -4.233 9.235
68 H ILE 10 H ILE 10 -0.929 -4.520 4.345
69 HA ILE 10 HA ILE 10 -1.541 -2.406 2.641
70 HB ILE 10 HB ILE 10 -0.209 -4.392 1.993
71 HG12 ILE 10 2HG1 ILE 10 -1.742 -4.685 -0.260
72 HG13 ILE 10 1HG1 ILE 10 -2.340 -3.161 0.384
73 HG21 ILE 10 1HG2 ILE 10 -1.274 -6.445 1.315
74 HG22 ILE 10 2HG2 ILE 10 -2.865 -5.789 1.702
75 HG23 ILE 10 3HG2 ILE 10 -1.699 -6.093 2.991
76 HD11 ILE 10 3HD1 ILE 10 -0.145 -3.489 -1.215
77 HD12 ILE 10 1HD1 ILE 10 0.559 -3.324 0.394
78 HD13 ILE 10 2HD1 ILE 10 -0.511 -2.071 -0.236
79 H GLU 11 H GLU 11 -3.659 -4.775 4.108
80 HA GLU 11 HA GLU 11 -5.861 -4.598 2.395
81 HB2 GLU 11 2HB GLU 11 -7.214 -5.330 4.317
82 HB3 GLU 11 1HB GLU 11 -5.747 -6.281 4.144
83 HG2 GLU 11 2HG GLU 11 -4.751 -5.303 6.017
84 HG3 GLU 11 1HG GLU 11 -5.874 -3.945 6.019
85 H ASP 12 H ASP 12 -4.736 -2.428 4.916
86 HA ASP 12 HA ASP 12 -7.121 -0.839 4.986
87 HB2 ASP 12 2HB ASP 12 -4.354 -0.543 6.117
88 HB3 ASP 12 1HB ASP 12 -5.476 0.814 6.152
89 H PHE 13 H PHE 13 -4.197 -0.853 3.081
90 HA PHE 13 HA PHE 13 -4.280 1.808 2.135
91 HB2 PHE 13 2HB PHE 13 -3.014 -0.726 1.134
92 HB3 PHE 13 1HB PHE 13 -2.985 0.727 0.146
93 HD1 PHE 13 1HD PHE 13 -2.278 -0.244 3.694
94 HD2 PHE 13 2HD PHE 13 -1.115 2.022 0.282
95 HE1 PHE 13 1HE PHE 13 -0.280 0.543 4.898
96 HE2 PHE 13 2HE PHE 13 0.879 2.811 1.480
97 HZ PHE 13 HZ PHE 13 1.301 2.073 3.791
98 H GLN 14 H GLN 14 -4.530 2.223 -0.333
99 HA GLN 14 HA GLN 14 -7.111 1.075 -1.171
100 HB2 GLN 14 2HB GLN 14 -6.616 3.682 -0.687
101 HB3 GLN 14 1HB GLN 14 -6.170 3.612 -2.386
102 HG2 GLN 14 2HG GLN 14 -8.412 2.563 -2.823
103 HG3 GLN 14 1HG GLN 14 -8.828 2.946 -1.155
104 HE21 GLN 14 1HE2 GLN 14 -10.548 4.086 -2.499
105 HE22 GLN 14 2HE2 GLN 14 -10.227 5.735 -2.907
106 H TYR 15 H TYR 15 -6.903 -0.371 -2.754
107 HA TYR 15 HA TYR 15 -4.591 -0.632 -4.363
108 HB2 TYR 15 2HB TYR 15 -6.144 -2.508 -3.838
109 HB3 TYR 15 1HB TYR 15 -7.350 -1.767 -4.884
110 HD1 TYR 15 2HD TYR 15 -3.784 -2.894 -5.017
111 HD2 TYR 15 1HD TYR 15 -7.496 -2.526 -7.062
112 HE1 TYR 15 2HE TYR 15 -2.834 -4.092 -6.940
113 HE2 TYR 15 1HE TYR 15 -6.558 -3.722 -8.993
114 HH TYR 15 HH TYR 15 -3.283 -4.252 -9.423
115 H ASP 16 H ASP 16 -4.007 0.396 -6.147
116 HA ASP 16 HA ASP 16 -5.982 2.100 -7.498
117 HB2 ASP 16 2HB ASP 16 -3.835 3.078 -6.498
118 HB3 ASP 16 1HB ASP 16 -2.985 2.269 -7.808
119 H GLU 17 H GLU 17 -6.907 0.561 -8.855
120 HA GLU 17 HA GLU 17 -5.594 -1.339 -10.401
121 HB2 GLU 17 2HB GLU 17 -7.604 -1.068 -11.977
122 HB3 GLU 17 1HB GLU 17 -7.920 -1.560 -10.320
123 HG2 GLU 17 2HG GLU 17 -8.986 0.370 -9.801
124 HG3 GLU 17 1HG GLU 17 -7.994 1.343 -10.887
125 H ASP 18 H ASP 18 -5.882 2.094 -10.891
126 HA ASP 18 HA ASP 18 -5.511 2.496 -13.551
127 HB2 ASP 18 2HB ASP 18 -5.431 4.116 -11.396
128 HB3 ASP 18 1HB ASP 18 -3.719 4.093 -11.804
129 H SER 19 H SER 19 -2.902 1.808 -11.204
130 HA SER 19 HA SER 19 -1.356 0.560 -13.322
131 HB2 SER 19 2HB SER 19 -0.485 3.087 -11.936
132 HB3 SER 19 1HB SER 19 0.699 1.955 -12.584
133 HG SER 19 HG SER 19 -0.728 3.798 -13.886
134 H GLU 20 H GLU 20 -2.636 -0.369 -10.876
135 HA GLU 20 HA GLU 20 -2.257 -1.659 -9.038
136 HB2 GLU 20 2HB GLU 20 0.400 -2.294 -10.310
137 HB3 GLU 20 1HB GLU 20 -0.560 -3.317 -9.249
138 HG2 GLU 20 2HG GLU 20 -2.128 -3.777 -10.929
139 HG3 GLU 20 1HG GLU 20 -1.567 -2.442 -11.935
140 H THR 21 H THR 21 -2.036 0.468 -7.878
141 HA THR 21 HA THR 21 0.525 0.502 -6.442
142 HB THR 21 HB THR 21 -0.893 3.034 -7.298
143 HG1 THR 21 1HG THR 21 1.290 1.676 -8.485
144 HG21 THR 21 3HG2 THR 21 1.824 2.549 -6.106
145 HG22 THR 21 1HG2 THR 21 0.473 3.415 -5.375
146 HG23 THR 21 2HG2 THR 21 1.288 4.085 -6.788
147 H TYR 22 H TYR 22 0.395 1.333 -4.279
148 HA TYR 22 HA TYR 22 -2.357 1.445 -3.218
149 HB2 TYR 22 2HB TYR 22 0.074 0.326 -1.805
150 HB3 TYR 22 1HB TYR 22 -1.568 0.371 -1.176
151 HD1 TYR 22 2HD TYR 22 0.518 -1.074 -3.891
152 HD2 TYR 22 1HD TYR 22 -3.060 -1.393 -1.608
153 HE1 TYR 22 2HE TYR 22 0.090 -3.282 -4.879
154 HE2 TYR 22 1HE TYR 22 -3.495 -3.603 -2.590
155 HH TYR 22 HH TYR 22 -1.875 -5.491 -3.668
156 H PHE 23 H PHE 23 -2.888 3.176 -2.021
157 HA PHE 23 HA PHE 23 -0.707 4.985 -1.200
158 HB2 PHE 23 2HB PHE 23 -3.468 5.647 -2.230
159 HB3 PHE 23 1HB PHE 23 -2.424 6.828 -1.449
160 HD1 PHE 23 2HD PHE 23 -2.261 4.311 -4.206
161 HD2 PHE 23 1HD PHE 23 -1.157 8.176 -2.803
162 HE1 PHE 23 2HE PHE 23 -1.188 4.786 -6.367
163 HE2 PHE 23 1HE PHE 23 -0.085 8.657 -4.963
164 HZ PHE 23 HZ PHE 23 -0.096 6.961 -6.748
165 H TYR 24 H TYR 24 -0.987 6.192 0.731
166 HA TYR 24 HA TYR 24 -3.057 5.163 2.557
167 HB2 TYR 24 2HB TYR 24 -0.699 4.218 2.931
168 HB3 TYR 24 1HB TYR 24 -0.266 5.835 3.478
169 HD1 TYR 24 2HD TYR 24 -2.937 3.280 4.081
170 HD2 TYR 24 1HD TYR 24 -0.367 6.237 5.747
171 HE1 TYR 24 2HE TYR 24 -3.780 2.741 6.322
172 HE2 TYR 24 1HE TYR 24 -1.204 5.702 7.996
173 HH TYR 24 HH TYR 24 -3.974 3.916 8.557
174 HA PRO 25 HA PRO 25 -4.088 9.439 3.153
175 HB2 PRO 25 2HB PRO 25 -4.872 8.591 5.888
176 HB3 PRO 25 1HB PRO 25 -5.826 9.403 4.643
177 HG2 PRO 25 2HG PRO 25 -6.224 6.828 5.212
178 HG3 PRO 25 1HG PRO 25 -6.322 7.425 3.545
179 HD2 PRO 25 2HD PRO 25 -4.121 5.910 4.891
180 HD3 PRO 25 1HD PRO 25 -4.747 5.761 3.235
181 H CYS 26 H CYS 26 -2.679 11.005 3.577
182 HA CYS 26 HA CYS 26 -0.923 10.742 5.928
183 HB2 CYS 26 2HB CYS 26 -0.134 10.973 3.333
184 HB3 CYS 26 1HB CYS 26 -0.149 12.663 3.830
185 HA PRO 27 HA PRO 27 -2.725 14.270 7.866
186 HB2 PRO 27 2HB PRO 27 0.071 15.163 8.370
187 HB3 PRO 27 1HB PRO 27 -1.259 14.930 9.510
188 HG2 PRO 27 2HG PRO 27 0.729 13.170 9.369
189 HG3 PRO 27 1HG PRO 27 -0.944 12.634 9.611
190 HD2 PRO 27 2HD PRO 27 0.737 12.553 7.142
191 HD3 PRO 27 1HD PRO 27 -0.459 11.381 7.734
192 H CYS 28 H CYS 28 -0.071 14.774 5.583
193 HA CYS 28 HA CYS 28 -0.533 17.575 5.267
194 HB2 CYS 28 2HB CYS 28 0.945 17.312 3.246
195 HB3 CYS 28 1HB CYS 28 1.655 16.763 4.759
196 H GLY 29 H GLY 29 -1.492 14.684 3.436
197 HA2 GLY 29 2HA GLY 29 -3.808 14.842 2.512
198 HA3 GLY 29 1HA GLY 29 -3.321 16.398 1.861
199 H ASP 30 H ASP 30 -0.594 15.145 1.238
200 HA ASP 30 HA ASP 30 -1.112 14.527 -1.462
201 HB2 ASP 30 2HB ASP 30 1.279 14.487 0.305
202 HB3 ASP 30 1HB ASP 30 1.365 13.533 -1.170
203 H ASN 31 H ASN 31 -0.654 12.505 1.375
204 HA ASN 31 HA ASN 31 -1.191 10.336 1.780
205 HB2 ASN 31 2HB ASN 31 -2.206 10.273 -1.067
206 HB3 ASN 31 1HB ASN 31 -2.492 9.040 0.156
207 HD21 ASN 31 1HD2 ASN 31 -4.444 10.559 -1.314
208 HD22 ASN 31 2HD2 ASN 31 -5.376 11.424 -0.145
209 H PHE 32 H PHE 32 0.105 8.641 1.912
210 HA PHE 32 HA PHE 32 2.545 8.503 0.526
211 HB2 PHE 32 2HB PHE 32 1.051 6.500 2.217
212 HB3 PHE 32 1HB PHE 32 2.632 6.152 1.530
213 HD1 PHE 32 2HD PHE 32 4.522 7.818 2.086
214 HD2 PHE 32 1HD PHE 32 0.884 7.533 4.276
215 HE1 PHE 32 2HE PHE 32 5.600 8.900 4.011
216 HE2 PHE 32 1HE PHE 32 1.957 8.615 6.207
217 HZ PHE 32 HZ PHE 32 4.319 9.299 6.076
218 H SER 33 H SER 33 3.312 6.608 -0.778
219 HA SER 33 HA SER 33 1.256 5.237 -2.323
220 HB2 SER 33 2HB SER 33 2.207 5.945 -4.487
221 HB3 SER 33 1HB SER 33 1.584 7.317 -3.574
222 HG SER 33 HG SER 33 4.291 6.530 -3.889
223 H ILE 34 H ILE 34 1.887 3.275 -3.089
224 HA ILE 34 HA ILE 34 4.698 2.567 -3.235
225 HB ILE 34 HB ILE 34 4.174 2.093 -0.884
226 HG12 ILE 34 2HG1 ILE 34 4.298 -0.617 -2.138
227 HG13 ILE 34 1HG1 ILE 34 5.575 0.535 -2.513
228 HG21 ILE 34 1HG2 ILE 34 1.687 1.563 -1.565
229 HG22 ILE 34 2HG2 ILE 34 2.420 0.831 -0.139
230 HG23 ILE 34 3HG2 ILE 34 2.298 -0.089 -1.638
231 HD11 ILE 34 3HD1 ILE 34 6.565 0.168 -0.569
232 HD12 ILE 34 1HD1 ILE 34 5.431 -1.160 -0.324
233 HD13 ILE 34 2HD1 ILE 34 5.067 0.441 0.320
234 H THR 35 H THR 35 4.996 1.379 -5.008
235 HA THR 35 HA THR 35 2.792 0.451 -6.562
236 HB THR 35 HB THR 35 4.876 -0.694 -7.804
237 HG1 THR 35 1HG THR 35 6.448 -0.215 -6.342
238 HG21 THR 35 3HG2 THR 35 4.230 0.841 -9.259
239 HG22 THR 35 1HG2 THR 35 5.310 1.972 -8.445
240 HG23 THR 35 2HG2 THR 35 3.610 1.887 -7.983
241 H LYS 36 H LYS 36 2.215 -1.659 -7.121
242 HA LYS 36 HA LYS 36 2.225 -3.545 -5.043
243 HB2 LYS 36 2HB LYS 36 0.565 -3.374 -6.949
244 HB3 LYS 36 1HB LYS 36 1.759 -4.174 -7.961
245 HG2 LYS 36 2HG LYS 36 0.989 -5.467 -5.397
246 HG3 LYS 36 1HG LYS 36 -0.147 -5.520 -6.746
247 HD2 LYS 36 2HD LYS 36 2.159 -6.213 -7.994
248 HD3 LYS 36 1HD LYS 36 2.441 -6.883 -6.387
249 HE2 LYS 36 2HE LYS 36 0.170 -7.483 -8.271
250 HE3 LYS 36 1HE LYS 36 1.419 -8.586 -7.696
251 HZ1 LYS 36 3HZ LYS 36 -0.984 -7.623 -6.333
252 HZ2 LYS 36 1HZ LYS 36 0.386 -7.924 -5.384
253 HZ3 LYS 36 2HZ LYS 36 -0.282 -9.161 -6.324
254 H GLU 37 H GLU 37 4.262 -3.229 -7.912
255 HA GLU 37 HA GLU 37 5.580 -5.700 -7.761
256 HB2 GLU 37 2HB GLU 37 5.619 -3.900 -9.623
257 HB3 GLU 37 1HB GLU 37 6.939 -3.190 -8.702
258 HG2 GLU 37 2HG GLU 37 7.792 -5.731 -8.824
259 HG3 GLU 37 1HG GLU 37 6.862 -5.656 -10.319
260 H ASP 38 H ASP 38 6.239 -2.608 -6.174
261 HA ASP 38 HA ASP 38 8.762 -3.145 -5.115
262 HB2 ASP 38 2HB ASP 38 6.516 -1.328 -4.398
263 HB3 ASP 38 1HB ASP 38 7.722 -1.623 -3.151
264 H LEU 39 H LEU 39 5.552 -3.773 -3.732
265 HA LEU 39 HA LEU 39 6.428 -4.886 -1.308
266 HB2 LEU 39 2HB LEU 39 3.914 -5.629 -2.795
267 HB3 LEU 39 1HB LEU 39 4.205 -5.771 -1.073
268 HG LEU 39 HG LEU 39 4.366 -3.058 -2.298
269 HD11 LEU 39 1HD1 LEU 39 2.296 -4.265 -3.166
270 HD12 LEU 39 2HD1 LEU 39 2.050 -2.725 -2.344
271 HD13 LEU 39 3HD1 LEU 39 1.726 -4.238 -1.497
272 HD21 LEU 39 3HD2 LEU 39 3.646 -2.346 -0.150
273 HD22 LEU 39 1HD2 LEU 39 4.879 -3.578 0.111
274 HD23 LEU 39 2HD2 LEU 39 3.174 -3.981 0.309
275 H GLU 40 H GLU 40 5.723 -6.393 -4.447
276 HA GLU 40 HA GLU 40 6.013 -9.070 -3.662
277 HB2 GLU 40 2HB GLU 40 6.636 -7.829 -6.347
278 HB3 GLU 40 1HB GLU 40 6.411 -9.545 -6.041
279 HG2 GLU 40 2HG GLU 40 4.095 -8.807 -5.127
280 HG3 GLU 40 1HG GLU 40 4.398 -7.348 -6.069
281 H ASN 41 H ASN 41 8.413 -6.629 -4.455
282 HA ASN 41 HA ASN 41 10.574 -8.562 -4.520
283 HB2 ASN 41 2HB ASN 41 10.290 -5.658 -5.074
284 HB3 ASN 41 1HB ASN 41 11.870 -6.211 -4.529
285 HD21 ASN 41 1HD2 ASN 41 11.899 -5.174 -6.913
286 HD22 ASN 41 2HD2 ASN 41 11.976 -6.370 -8.157
287 H GLY 42 H GLY 42 9.314 -6.097 -2.319
288 HA2 GLY 42 2HA GLY 42 9.792 -6.988 0.080
289 HA3 GLY 42 1HA GLY 42 11.456 -6.687 -0.401
290 H GLU 43 H GLU 43 10.144 -4.334 -2.042
291 HA GLU 43 HA GLU 43 10.802 -2.295 -0.193
292 HB2 GLU 43 2HB GLU 43 9.568 -2.317 -2.934
293 HB3 GLU 43 1HB GLU 43 9.665 -0.824 -2.013
294 HG2 GLU 43 2HG GLU 43 11.973 -2.557 -2.858
295 HG3 GLU 43 1HG GLU 43 11.520 -0.998 -3.542
296 H ASP 44 H ASP 44 9.407 -2.853 1.582
297 HA ASP 44 HA ASP 44 6.556 -2.306 1.230
298 HB2 ASP 44 2HB ASP 44 6.449 -3.027 3.676
299 HB3 ASP 44 1HB ASP 44 6.902 -4.261 2.506
300 H VAL 45 H VAL 45 8.291 -0.109 0.903
301 HA VAL 45 HA VAL 45 7.515 1.527 3.220
302 HB VAL 45 HB VAL 45 9.927 1.222 3.296
303 HG11 VAL 45 1HG1 VAL 45 11.337 1.371 1.546
304 HG12 VAL 45 2HG1 VAL 45 10.476 2.735 0.833
305 HG13 VAL 45 3HG1 VAL 45 9.877 1.094 0.596
306 HG21 VAL 45 3HG2 VAL 45 8.869 3.409 3.913
307 HG22 VAL 45 1HG2 VAL 45 9.331 4.010 2.320
308 HG23 VAL 45 2HG2 VAL 45 10.572 3.513 3.470
309 H ALA 46 H ALA 46 6.398 3.325 2.782
310 HA ALA 46 HA ALA 46 6.153 4.124 -0.044
311 HB1 ALA 46 1HB ALA 46 4.133 3.238 1.454
312 HB2 ALA 46 2HB ALA 46 3.923 4.467 0.209
313 HB3 ALA 46 3HB ALA 46 4.072 4.942 1.899
314 H THR 47 H THR 47 6.825 6.095 -0.592
315 HA THR 47 HA THR 47 7.370 8.027 1.563
316 HB THR 47 HB THR 47 8.658 8.014 -1.170
317 HG1 THR 47 1HG THR 47 10.133 6.664 -0.458
318 HG21 THR 47 3HG2 THR 47 10.195 8.997 1.091
319 HG22 THR 47 1HG2 THR 47 8.732 9.933 0.789
320 HG23 THR 47 2HG2 THR 47 9.919 9.715 -0.496
321 H CYS 48 H CYS 48 6.145 9.790 1.622
322 HA CYS 48 HA CYS 48 4.191 10.330 -0.375
323 HB2 CYS 48 2HB CYS 48 4.444 10.958 2.272
324 HB3 CYS 48 1HB CYS 48 4.813 12.502 1.513
325 HA PRO 49 HA PRO 49 6.659 13.015 -2.910
326 HB2 PRO 49 2HB PRO 49 4.770 13.847 -4.608
327 HB3 PRO 49 1HB PRO 49 5.299 12.160 -4.570
328 HG2 PRO 49 2HG PRO 49 2.833 13.399 -3.436
329 HG3 PRO 49 1HG PRO 49 3.037 11.828 -4.225
330 HD2 PRO 49 2HD PRO 49 2.936 12.259 -1.476
331 HD3 PRO 49 1HD PRO 49 3.581 10.808 -2.266
332 H SER 50 H SER 50 5.729 14.204 -0.380
333 HA SER 50 HA SER 50 5.920 16.973 -1.158
334 HB2 SER 50 2HB SER 50 3.535 16.813 -1.272
335 HB3 SER 50 1HB SER 50 3.458 15.909 0.240
336 HG SER 50 HG SER 50 3.224 18.478 -0.035
337 H CYS 51 H CYS 51 4.911 15.097 1.717
338 HA CYS 51 HA CYS 51 6.559 16.694 3.444
339 HB2 CYS 51 2HB CYS 51 5.782 15.208 5.229
340 HB3 CYS 51 1HB CYS 51 4.436 15.768 4.243
341 H SER 52 H SER 52 6.957 13.727 1.683
342 HA SER 52 HA SER 52 8.732 12.343 1.378
343 HB2 SER 52 2HB SER 52 10.367 14.317 2.988
344 HB3 SER 52 1HB SER 52 10.960 13.145 1.810
345 HG SER 52 HG SER 52 10.809 14.829 0.532
346 H LEU 53 H LEU 53 6.982 11.795 3.464
347 HA LEU 53 HA LEU 53 8.563 11.022 5.780
348 HB2 LEU 53 2HB LEU 53 5.688 11.230 5.118
349 HB3 LEU 53 1HB LEU 53 6.118 9.947 6.232
350 HG LEU 53 HG LEU 53 7.094 12.725 6.753
351 HD11 LEU 53 1HD1 LEU 53 4.300 11.791 6.832
352 HD12 LEU 53 2HD1 LEU 53 4.953 13.422 6.674
353 HD13 LEU 53 3HD1 LEU 53 4.871 12.655 8.260
354 HD21 LEU 53 3HD2 LEU 53 7.111 12.012 9.023
355 HD22 LEU 53 1HD2 LEU 53 7.860 10.731 8.070
356 HD23 LEU 53 2HD2 LEU 53 6.199 10.553 8.637
357 H ILE 54 H ILE 54 7.770 8.693 6.644
358 HA ILE 54 HA ILE 54 7.929 6.768 4.431
359 HB ILE 54 HB ILE 54 9.501 5.390 5.877
360 HG12 ILE 54 2HG1 ILE 54 9.870 8.070 7.242
361 HG13 ILE 54 1HG1 ILE 54 9.195 6.621 7.978
362 HG21 ILE 54 1HG2 ILE 54 10.009 7.069 3.866
363 HG22 ILE 54 2HG2 ILE 54 11.273 6.162 4.694
364 HG23 ILE 54 3HG2 ILE 54 10.971 7.846 5.123
365 HD11 ILE 54 3HD1 ILE 54 11.228 5.629 8.212
366 HD12 ILE 54 1HD1 ILE 54 11.703 7.322 8.337
367 HD13 ILE 54 2HD1 ILE 54 11.919 6.455 6.817
368 H ILE 55 H ILE 55 6.898 4.828 4.762
369 HA ILE 55 HA ILE 55 5.751 4.218 7.373
370 HB ILE 55 HB ILE 55 3.511 3.740 6.312
371 HG12 ILE 55 2HG1 ILE 55 4.096 5.772 4.221
372 HG13 ILE 55 1HG1 ILE 55 4.702 4.144 3.943
373 HG21 ILE 55 1HG2 ILE 55 3.825 5.625 7.792
374 HG22 ILE 55 2HG2 ILE 55 2.735 6.063 6.477
375 HG23 ILE 55 3HG2 ILE 55 4.411 6.612 6.453
376 HD11 ILE 55 3HD1 ILE 55 1.997 5.180 3.776
377 HD12 ILE 55 1HD1 ILE 55 2.112 3.701 4.729
378 HD13 ILE 55 2HD1 ILE 55 2.702 3.729 3.068
379 H LYS 56 H LYS 56 5.313 2.036 7.682
380 HA LYS 56 HA LYS 56 6.486 0.269 5.677
381 HB2 LYS 56 2HB LYS 56 6.694 0.332 8.423
382 HB3 LYS 56 1HB LYS 56 5.542 -0.968 8.157
383 HG2 LYS 56 2HG LYS 56 8.115 -0.879 6.635
384 HG3 LYS 56 1HG LYS 56 8.051 -1.519 8.278
385 HD2 LYS 56 2HD LYS 56 6.033 -2.904 7.312
386 HD3 LYS 56 1HD LYS 56 6.832 -2.582 5.771
387 HE2 LYS 56 2HE LYS 56 8.655 -3.861 6.291
388 HE3 LYS 56 1HE LYS 56 8.502 -3.570 8.023
389 HZ1 LYS 56 3HZ LYS 56 6.527 -5.212 6.559
390 HZ2 LYS 56 1HZ LYS 56 6.850 -5.179 8.219
391 HZ3 LYS 56 2HZ LYS 56 7.960 -5.885 7.156
392 H VAL 57 H VAL 57 5.454 -1.239 4.584
393 HA VAL 57 HA VAL 57 2.537 -1.351 4.900
394 HB VAL 57 HB VAL 57 3.753 -2.396 2.406
395 HG11 VAL 57 1HG1 VAL 57 1.800 -1.213 1.450
396 HG12 VAL 57 2HG1 VAL 57 1.395 -0.647 3.070
397 HG13 VAL 57 3HG1 VAL 57 1.361 -2.371 2.704
398 HG21 VAL 57 3HG2 VAL 57 3.573 0.162 1.643
399 HG22 VAL 57 1HG2 VAL 57 5.080 -0.563 2.198
400 HG23 VAL 57 2HG2 VAL 57 4.110 0.408 3.304
401 H ILE 58 H ILE 58 1.834 -3.119 5.886
402 HA ILE 58 HA ILE 58 3.435 -5.563 5.821
403 HB ILE 58 HB ILE 58 0.883 -5.094 7.360
404 HG12 ILE 58 2HG1 ILE 58 2.559 -3.404 7.987
405 HG13 ILE 58 1HG1 ILE 58 2.288 -4.552 9.294
406 HG21 ILE 58 1HG2 ILE 58 1.507 -6.974 8.660
407 HG22 ILE 58 2HG2 ILE 58 3.115 -7.030 7.939
408 HG23 ILE 58 3HG2 ILE 58 1.700 -7.446 6.972
409 HD11 ILE 58 3HD1 ILE 58 4.611 -4.164 9.187
410 HD12 ILE 58 1HD1 ILE 58 4.642 -4.390 7.439
411 HD13 ILE 58 2HD1 ILE 58 4.340 -5.765 8.501
412 H TYR 59 H TYR 59 2.856 -7.388 4.770
413 HA TYR 59 HA TYR 59 0.160 -7.818 3.821
414 HB2 TYR 59 2HB TYR 59 0.969 -8.078 1.420
415 HB3 TYR 59 1HB TYR 59 0.855 -6.425 2.018
416 HD1 TYR 59 2HD TYR 59 2.907 -5.179 2.603
417 HD2 TYR 59 1HD TYR 59 3.078 -9.029 0.806
418 HE1 TYR 59 2HE TYR 59 5.258 -4.797 2.027
419 HE2 TYR 59 1HE TYR 59 5.438 -8.661 0.228
420 HH TYR 59 HH TYR 59 6.981 -6.747 -0.131
421 H ASP 60 H ASP 60 0.248 -9.871 2.258
422 HA ASP 60 HA ASP 60 1.644 -11.920 3.770
423 HB2 ASP 60 2HB ASP 60 -0.810 -12.054 3.039
424 HB3 ASP 60 1HB ASP 60 -0.199 -12.345 1.415
425 H LYS 61 H LYS 61 3.796 -11.679 3.128
426 HA LYS 61 HA LYS 61 4.706 -11.374 0.501
427 HB2 LYS 61 2HB LYS 61 6.126 -12.770 2.774
428 HB3 LYS 61 1HB LYS 61 6.880 -12.148 1.313
429 HG2 LYS 61 2HG LYS 61 5.717 -9.903 2.162
430 HG3 LYS 61 1HG LYS 61 5.915 -10.716 3.714
431 HD2 LYS 61 2HD LYS 61 7.991 -9.879 3.706
432 HD3 LYS 61 1HD LYS 61 8.355 -11.112 2.498
433 HE2 LYS 61 2HE LYS 61 8.507 -9.607 0.838
434 HE3 LYS 61 1HE LYS 61 7.105 -8.705 1.403
435 HZ1 LYS 61 3HZ LYS 61 8.648 -7.167 1.887
436 HZ2 LYS 61 1HZ LYS 61 9.918 -8.283 1.955
437 HZ3 LYS 61 2HZ LYS 61 8.891 -8.089 3.284
438 H ASP 62 H ASP 62 3.806 -14.261 2.297
439 HA ASP 62 HA ASP 62 4.878 -16.162 0.498
440 HB2 ASP 62 2HB ASP 62 2.831 -16.237 2.675
441 HB3 ASP 62 1HB ASP 62 2.900 -17.587 1.547
442 H GLN 63 H GLN 63 1.832 -14.382 0.570
443 HA GLN 63 HA GLN 63 0.753 -15.919 -1.646
444 HB2 GLN 63 2HB GLN 63 -0.252 -13.794 0.171
445 HB3 GLN 63 1HB GLN 63 -0.988 -13.900 -1.423
446 HG2 GLN 63 2HG GLN 63 -0.728 -16.464 -0.034
447 HG3 GLN 63 1HG GLN 63 -1.779 -15.297 0.765
448 HE21 GLN 63 1HE2 GLN 63 -3.177 -17.278 0.113
449 HE22 GLN 63 2HE2 GLN 63 -4.035 -17.105 -1.376
450 H PHE 64 H PHE 64 2.233 -12.770 -1.080
451 HA PHE 64 HA PHE 64 1.646 -11.561 -3.533
452 HB2 PHE 64 2HB PHE 64 3.709 -11.153 -1.426
453 HB3 PHE 64 1HB PHE 64 4.000 -10.412 -2.996
454 HD1 PHE 64 2HD PHE 64 0.904 -10.870 -0.951
455 HD2 PHE 64 1HD PHE 64 3.564 -8.159 -2.877
456 HE1 PHE 64 2HE PHE 64 -0.569 -8.996 -0.341
457 HE2 PHE 64 1HE PHE 64 2.094 -6.284 -2.268
458 HZ PHE 64 HZ PHE 64 0.027 -6.698 -1.000
459 H VAL 65 H VAL 65 4.630 -13.311 -2.594
460 HA VAL 65 HA VAL 65 5.284 -13.539 -5.448
461 HB VAL 65 HB VAL 65 7.061 -12.580 -4.106
462 HG11 VAL 65 1HG1 VAL 65 7.423 -13.218 -2.014
463 HG12 VAL 65 2HG1 VAL 65 8.001 -14.779 -2.597
464 HG13 VAL 65 3HG1 VAL 65 6.296 -14.560 -2.207
465 HG21 VAL 65 3HG2 VAL 65 7.638 -15.369 -5.092
466 HG22 VAL 65 1HG2 VAL 65 8.884 -14.203 -4.647
467 HG23 VAL 65 2HG2 VAL 65 7.791 -13.857 -5.987
468 H SER 66 H SER 66 3.938 -15.213 -6.035
469 HA SER 66 HA SER 66 4.803 -17.863 -5.138
470 HB2 SER 66 2HB SER 66 2.563 -18.653 -4.799
471 HB3 SER 66 1HB SER 66 2.742 -17.169 -3.864
472 HG SER 66 HG SER 66 1.197 -16.329 -5.006
473 H GLY 67 H GLY 67 5.200 -16.248 -7.605
474 HA2 GLY 67 2HA GLY 67 3.701 -17.866 -9.556
475 HA3 GLY 67 1HA GLY 67 4.501 -16.340 -9.902
476 H GLU 68 H GLU 68 6.880 -16.335 -9.854
477 HA GLU 68 HA GLU 68 7.892 -18.758 -11.095
478 HB2 GLU 68 2HB GLU 68 8.804 -15.927 -10.899
479 HB3 GLU 68 1HB GLU 68 10.020 -17.166 -11.176
480 HG2 GLU 68 2HG GLU 68 8.127 -17.840 -13.010
481 HG3 GLU 68 1HG GLU 68 7.987 -16.083 -12.974
482 H THR 69 H THR 69 7.821 -20.065 -9.160
483 HA THR 69 HA THR 69 10.206 -19.655 -7.494
484 HB THR 69 HB THR 69 8.336 -18.992 -6.120
485 HG1 THR 69 1HG THR 69 9.859 -20.165 -5.003
486 HG21 THR 69 3HG2 THR 69 6.955 -21.479 -5.797
487 HG22 THR 69 1HG2 THR 69 6.864 -20.944 -7.475
488 HG23 THR 69 2HG2 THR 69 6.316 -19.880 -6.179
489 H VAL 70 H VAL 70 11.507 -21.198 -8.286
490 HA VAL 70 HA VAL 70 10.539 -23.978 -8.217
491 HB VAL 70 HB VAL 70 12.403 -22.912 -10.340
492 HG11 VAL 70 1HG1 VAL 70 10.908 -25.523 -10.124
493 HG12 VAL 70 2HG1 VAL 70 12.635 -25.293 -9.845
494 HG13 VAL 70 3HG1 VAL 70 11.959 -25.035 -11.454
495 HG21 VAL 70 3HG2 VAL 70 9.422 -23.209 -10.347
496 HG22 VAL 70 1HG2 VAL 70 10.350 -23.354 -11.839
497 HG23 VAL 70 2HG2 VAL 70 10.410 -21.858 -10.905
498 HA PRO 71 HA PRO 71 14.078 -24.749 -5.635
499 HB2 PRO 71 2HB PRO 71 14.153 -27.406 -6.962
500 HB3 PRO 71 1HB PRO 71 14.038 -27.008 -5.245
501 HG2 PRO 71 2HG PRO 71 11.920 -27.915 -6.581
502 HG3 PRO 71 1HG PRO 71 11.749 -26.653 -5.345
503 HD2 PRO 71 2HD PRO 71 11.739 -26.407 -8.326
504 HD3 PRO 71 1HD PRO 71 10.753 -25.553 -7.121
505 H ALA 72 H ALA 72 16.361 -25.634 -5.797
506 HA ALA 72 HA ALA 72 17.485 -25.217 -8.488
507 HB1 ALA 72 1HB ALA 72 17.712 -23.329 -6.624
508 HB2 ALA 72 2HB ALA 72 18.984 -23.664 -7.797
509 HB3 ALA 72 3HB ALA 72 19.095 -24.327 -6.168
510 HA PRO 73 HA PRO 73 19.747 -28.964 -7.832
511 HB2 PRO 73 2HB PRO 73 21.881 -28.553 -9.450
512 HB3 PRO 73 1HB PRO 73 20.257 -28.861 -10.076
513 HG2 PRO 73 2HG PRO 73 21.692 -26.253 -9.737
514 HG3 PRO 73 1HG PRO 73 20.735 -26.831 -11.115
515 HD2 PRO 73 2HD PRO 73 19.738 -25.121 -9.270
516 HD3 PRO 73 1HD PRO 73 18.729 -26.326 -10.095
517 H SER 74 H SER 74 22.203 -29.651 -7.525
518 HA SER 74 HA SER 74 23.056 -28.354 -5.104
519 HB2 SER 74 2HB SER 74 23.784 -30.844 -6.567
520 HB3 SER 74 1HB SER 74 24.994 -30.159 -5.481
521 HG SER 74 HG SER 74 23.892 -31.011 -3.923
522 H ALA 75 H ALA 75 24.471 -26.770 -4.931
523 HA ALA 75 HA ALA 75 26.180 -25.328 -5.320
524 HB1 ALA 75 1HB ALA 75 27.315 -27.662 -5.818
525 HB2 ALA 75 2HB ALA 75 28.148 -26.141 -6.132
526 HB3 ALA 75 3HB ALA 75 27.375 -27.012 -7.456
527 H ASN 76 H ASN 76 25.196 -23.592 -6.212
528 HA ASN 76 HA ASN 76 24.563 -23.609 -9.068
529 HB2 ASN 76 2HB ASN 76 23.412 -21.464 -8.608
530 HB3 ASN 76 1HB ASN 76 22.815 -22.775 -7.599
531 HD21 ASN 76 1HD2 ASN 76 22.822 -19.814 -7.265
532 HD22 ASN 76 2HD2 ASN 76 23.542 -19.546 -5.718
533 H LYS 77 H LYS 77 27.318 -23.640 -8.424
534 HA LYS 77 HA LYS 77 28.135 -21.132 -9.678
535 HB2 LYS 77 2HB LYS 77 28.994 -22.091 -6.990
536 HB3 LYS 77 1HB LYS 77 30.218 -21.369 -8.024
537 HG2 LYS 77 2HG LYS 77 27.654 -19.914 -7.642
538 HG3 LYS 77 1HG LYS 77 28.831 -19.925 -6.328
539 HD2 LYS 77 2HD LYS 77 29.664 -18.126 -7.401
540 HD3 LYS 77 1HD LYS 77 30.441 -19.338 -8.419
541 HE2 LYS 77 2HE LYS 77 29.465 -18.186 -10.092
542 HE3 LYS 77 1HE LYS 77 28.047 -19.136 -9.648
543 HZ1 LYS 77 3HZ LYS 77 27.503 -17.235 -8.089
544 HZ2 LYS 77 1HZ LYS 77 27.319 -16.930 -9.744
545 HZ3 LYS 77 2HZ LYS 77 28.672 -16.337 -8.920
546 H GLU 78 H GLU 78 28.891 -21.934 -11.558
547 HA GLU 78 HA GLU 78 30.546 -24.349 -11.517
548 HB2 GLU 78 2HB GLU 78 28.566 -23.684 -13.214
549 HB3 GLU 78 1HB GLU 78 29.928 -22.987 -14.082
550 HG2 GLU 78 2HG GLU 78 30.235 -25.759 -13.093
551 HG3 GLU 78 1HG GLU 78 29.118 -25.494 -14.430
552 H LEU 79 H LEU 79 32.676 -24.076 -11.286
553 HA LEU 79 HA LEU 79 34.062 -22.163 -12.946
554 HB2 LEU 79 2HB LEU 79 35.260 -21.118 -11.028
555 HB3 LEU 79 1HB LEU 79 33.561 -20.706 -11.128
556 HG LEU 79 HG LEU 79 34.282 -22.982 -9.362
557 HD11 LEU 79 1HD1 LEU 79 35.233 -20.200 -8.976
558 HD12 LEU 79 2HD1 LEU 79 35.947 -21.727 -8.458
559 HD13 LEU 79 3HD1 LEU 79 34.582 -21.047 -7.573
560 HD21 LEU 79 3HD2 LEU 79 32.573 -21.719 -7.933
561 HD22 LEU 79 1HD2 LEU 79 31.998 -22.480 -9.416
562 HD23 LEU 79 2HD2 LEU 79 32.284 -20.741 -9.372
563 H VAL 80 H VAL 80 34.486 -24.574 -13.527
564 HA VAL 80 HA VAL 80 37.069 -25.272 -12.329
565 HB VAL 80 HB VAL 80 34.965 -27.372 -12.867
566 HG11 VAL 80 1HG1 VAL 80 37.263 -27.858 -11.070
567 HG12 VAL 80 2HG1 VAL 80 37.623 -27.723 -12.792
568 HG13 VAL 80 3HG1 VAL 80 36.473 -28.934 -12.223
569 HG21 VAL 80 3HG2 VAL 80 35.734 -26.037 -10.280
570 HG22 VAL 80 1HG2 VAL 80 34.864 -27.570 -10.366
571 HG23 VAL 80 2HG2 VAL 80 34.139 -26.106 -11.032
572 H LYS 81 H LYS 81 38.548 -25.503 -13.874
573 HA LYS 81 HA LYS 81 39.568 -25.842 -15.872
574 HB2 LYS 81 2HB LYS 81 37.386 -27.871 -15.897
575 HB3 LYS 81 1HB LYS 81 38.247 -27.576 -17.401
576 HG2 LYS 81 2HG LYS 81 40.369 -27.887 -15.903
577 HG3 LYS 81 1HG LYS 81 39.242 -28.733 -14.841
578 HD2 LYS 81 2HD LYS 81 38.609 -30.203 -16.705
579 HD3 LYS 81 1HD LYS 81 39.757 -29.364 -17.749
580 HE2 LYS 81 2HE LYS 81 40.776 -30.484 -15.192
581 HE3 LYS 81 1HE LYS 81 40.368 -31.619 -16.477
582 HZ1 LYS 81 3HZ LYS 81 42.002 -29.312 -17.210
583 HZ2 LYS 81 1HZ LYS 81 42.062 -30.905 -17.777
584 HZ3 LYS 81 2HZ LYS 81 42.746 -30.513 -16.280
585 H LEU 82 H LEU 82 39.370 -23.790 -16.716
586 HA LEU 82 HA LEU 82 36.991 -23.059 -18.215
587 HB2 LEU 82 2HB LEU 82 39.563 -21.562 -17.700
588 HB3 LEU 82 1HB LEU 82 38.188 -20.907 -18.566
589 HG LEU 82 HG LEU 82 37.830 -21.915 -15.769
590 HD11 LEU 82 1HD1 LEU 82 38.559 -19.063 -16.292
591 HD12 LEU 82 2HD1 LEU 82 39.818 -20.270 -16.030
592 HD13 LEU 82 3HD1 LEU 82 38.608 -19.975 -14.782
593 HD21 LEU 82 3HD2 LEU 82 35.872 -20.780 -15.820
594 HD22 LEU 82 1HD2 LEU 82 36.052 -21.012 -17.558
595 HD23 LEU 82 2HD2 LEU 82 36.522 -19.481 -16.821
596 H GLU 83 H GLU 83 36.821 -24.050 -20.136
597 HA GLU 83 HA GLU 83 39.187 -24.278 -21.858
598 HB2 GLU 83 2HB GLU 83 37.364 -26.161 -21.270
599 HB3 GLU 83 1HB GLU 83 36.588 -25.456 -22.681
600 HG2 GLU 83 2HG GLU 83 39.450 -26.059 -22.983
601 HG3 GLU 83 1HG GLU 83 38.394 -27.454 -22.772
602 H HIS 84 H HIS 84 35.959 -22.869 -21.727
603 HA HIS 84 HA HIS 84 34.910 -21.287 -22.968
604 HB2 HIS 84 2HB HIS 84 37.744 -20.675 -23.835
605 HB3 HIS 84 1HB HIS 84 36.352 -19.688 -24.263
606 HD1 HIS 84 1HD HIS 84 38.866 -20.150 -21.676
607 HD2 HIS 84 2HD HIS 84 35.059 -18.503 -21.920
608 HE1 HIS 84 1HE HIS 84 38.641 -18.675 -19.652
609 HE2 HIS 84 2HE HIS 84 36.370 -17.605 -19.880
Start of MODEL 5
1 H1 MET 1 1HT MET 1 12.449 10.293 11.860
2 H2 MET 1 2HT MET 1 12.954 11.574 12.883
3 H3 MET 1 3HT MET 1 13.746 10.054 12.954
4 HA MET 1 HA MET 1 13.757 11.991 10.737
5 HB2 MET 1 2HB MET 1 15.917 10.931 12.575
6 HB3 MET 1 1HB MET 1 16.183 12.036 11.233
7 HG2 MET 1 2HG MET 1 14.425 13.508 12.487
8 HG3 MET 1 1HG MET 1 14.902 12.531 13.874
9 HE1 MET 1 2HE MET 1 17.551 11.775 13.559
10 HE2 MET 1 3HE MET 1 17.764 12.845 14.944
11 HE3 MET 1 1HE MET 1 18.818 13.001 13.540
12 H ALA 2 H ALA 2 15.484 9.052 11.816
13 HA ALA 2 HA ALA 2 15.653 8.191 9.022
14 HB1 ALA 2 1HB ALA 2 17.775 7.989 9.799
15 HB2 ALA 2 2HB ALA 2 17.177 6.396 10.264
16 HB3 ALA 2 3HB ALA 2 17.260 7.692 11.459
17 H VAL 3 H VAL 3 14.623 6.999 12.211
18 HA VAL 3 HA VAL 3 13.761 4.456 11.343
19 HB VAL 3 HB VAL 3 12.429 4.391 13.442
20 HG11 VAL 3 1HG1 VAL 3 15.051 5.477 14.286
21 HG12 VAL 3 2HG1 VAL 3 15.065 4.131 13.147
22 HG13 VAL 3 3HG1 VAL 3 14.262 3.958 14.708
23 HG21 VAL 3 3HG2 VAL 3 13.581 6.957 14.364
24 HG22 VAL 3 1HG2 VAL 3 12.050 6.185 14.780
25 HG23 VAL 3 2HG2 VAL 3 12.213 7.056 13.256
26 H PHE 4 H PHE 4 11.538 3.667 11.262
27 HA PHE 4 HA PHE 4 9.934 5.246 9.511
28 HB2 PHE 4 2HB PHE 4 9.728 2.527 10.729
29 HB3 PHE 4 1HB PHE 4 8.272 3.250 10.056
30 HD1 PHE 4 1HD PHE 4 11.859 2.819 9.086
31 HD2 PHE 4 2HD PHE 4 7.773 2.694 7.902
32 HE1 PHE 4 1HE PHE 4 12.535 2.085 6.838
33 HE2 PHE 4 2HE PHE 4 8.443 1.960 5.653
34 HZ PHE 4 HZ PHE 4 10.827 1.655 5.118
35 H HIS 5 H HIS 5 7.588 5.639 9.886
36 HA HIS 5 HA HIS 5 7.233 6.877 12.495
37 HB2 HIS 5 2HB HIS 5 6.647 7.849 10.088
38 HB3 HIS 5 1HB HIS 5 5.124 7.022 10.391
39 HD1 HIS 5 1HD HIS 5 4.071 7.703 12.896
40 HD2 HIS 5 2HD HIS 5 6.652 10.375 11.028
41 HE1 HIS 5 1HE HIS 5 3.643 9.928 13.986
42 HE2 HIS 5 2HE HIS 5 5.132 11.550 12.759
43 H ASP 6 H ASP 6 5.020 5.007 10.387
44 HA ASP 6 HA ASP 6 4.293 3.321 12.654
45 HB2 ASP 6 2HB ASP 6 2.432 5.226 11.266
46 HB3 ASP 6 1HB ASP 6 1.811 3.721 11.938
47 H GLU 7 H GLU 7 2.889 1.489 12.004
48 HA GLU 7 HA GLU 7 3.429 0.688 9.216
49 HB2 GLU 7 2HB GLU 7 3.017 -1.153 11.578
50 HB3 GLU 7 1HB GLU 7 3.550 -1.598 9.963
51 HG2 GLU 7 2HG GLU 7 5.612 -1.495 10.786
52 HG3 GLU 7 1HG GLU 7 5.422 0.256 10.710
53 H VAL 8 H VAL 8 1.759 0.066 7.948
54 HA VAL 8 HA VAL 8 -0.860 -0.384 9.213
55 HB VAL 8 HB VAL 8 -0.517 1.206 6.671
56 HG11 VAL 8 1HG1 VAL 8 -2.754 1.303 6.552
57 HG12 VAL 8 2HG1 VAL 8 -2.940 1.497 8.295
58 HG13 VAL 8 3HG1 VAL 8 -2.709 -0.110 7.604
59 HG21 VAL 8 3HG2 VAL 8 -1.410 3.044 8.390
60 HG22 VAL 8 1HG2 VAL 8 0.305 2.781 8.083
61 HG23 VAL 8 2HG2 VAL 8 -0.456 2.066 9.503
62 H GLU 9 H GLU 9 -2.135 -1.937 8.286
63 HA GLU 9 HA GLU 9 -0.889 -3.899 6.671
64 HB2 GLU 9 2HB GLU 9 -3.730 -3.489 7.588
65 HB3 GLU 9 1HB GLU 9 -3.286 -4.823 6.533
66 HG2 GLU 9 2HG GLU 9 -1.878 -5.777 8.180
67 HG3 GLU 9 1HG GLU 9 -1.964 -4.332 9.185
68 H ILE 10 H ILE 10 -1.057 -4.381 4.547
69 HA ILE 10 HA ILE 10 -1.472 -2.358 2.683
70 HB ILE 10 HB ILE 10 -0.118 -4.404 2.306
71 HG12 ILE 10 2HG1 ILE 10 -1.003 -4.761 -0.102
72 HG13 ILE 10 1HG1 ILE 10 -2.189 -3.529 0.315
73 HG21 ILE 10 1HG2 ILE 10 -2.816 -5.708 2.010
74 HG22 ILE 10 2HG2 ILE 10 -1.530 -6.127 3.141
75 HG23 ILE 10 3HG2 ILE 10 -1.313 -6.414 1.415
76 HD11 ILE 10 3HD1 ILE 10 0.142 -2.965 -0.816
77 HD12 ILE 10 1HD1 ILE 10 0.641 -2.902 0.874
78 HD13 ILE 10 2HD1 ILE 10 -0.664 -1.864 0.299
79 H GLU 11 H GLU 11 -3.740 -4.677 4.018
80 HA GLU 11 HA GLU 11 -5.775 -4.501 2.092
81 HB2 GLU 11 2HB GLU 11 -5.451 -5.911 4.386
82 HB3 GLU 11 1HB GLU 11 -6.621 -4.712 4.920
83 HG2 GLU 11 2HG GLU 11 -8.234 -5.430 3.394
84 HG3 GLU 11 1HG GLU 11 -7.054 -6.307 2.421
85 H ASP 12 H ASP 12 -4.871 -2.373 4.731
86 HA ASP 12 HA ASP 12 -7.246 -0.790 4.687
87 HB2 ASP 12 2HB ASP 12 -5.281 -1.052 6.488
88 HB3 ASP 12 1HB ASP 12 -4.696 0.389 5.659
89 H PHE 13 H PHE 13 -4.232 -0.743 2.926
90 HA PHE 13 HA PHE 13 -4.286 1.910 1.993
91 HB2 PHE 13 2HB PHE 13 -3.018 -0.625 0.998
92 HB3 PHE 13 1HB PHE 13 -2.944 0.839 0.026
93 HD1 PHE 13 2HD PHE 13 -2.359 -0.186 3.578
94 HD2 PHE 13 1HD PHE 13 -1.062 2.122 0.243
95 HE1 PHE 13 2HE PHE 13 -0.403 0.568 4.864
96 HE2 PHE 13 1HE PHE 13 0.896 2.876 1.523
97 HZ PHE 13 HZ PHE 13 1.228 2.102 3.838
98 H GLN 14 H GLN 14 -4.722 2.621 -0.234
99 HA GLN 14 HA GLN 14 -7.233 1.465 -1.198
100 HB2 GLN 14 2HB GLN 14 -6.849 3.985 -0.677
101 HB3 GLN 14 1HB GLN 14 -6.022 4.016 -2.227
102 HG2 GLN 14 2HG GLN 14 -8.337 2.770 -2.897
103 HG3 GLN 14 1HG GLN 14 -8.883 3.847 -1.613
104 HE21 GLN 14 1HE2 GLN 14 -9.764 4.125 -4.204
105 HE22 GLN 14 2HE2 GLN 14 -9.137 5.591 -4.869
106 H TYR 15 H TYR 15 -6.242 -0.369 -2.206
107 HA TYR 15 HA TYR 15 -4.266 -0.111 -4.222
108 HB2 TYR 15 2HB TYR 15 -4.634 -2.233 -3.061
109 HB3 TYR 15 1HB TYR 15 -6.253 -2.343 -3.744
110 HD1 TYR 15 2HD TYR 15 -2.665 -2.170 -4.725
111 HD2 TYR 15 1HD TYR 15 -6.586 -3.438 -5.786
112 HE1 TYR 15 2HE TYR 15 -1.748 -3.352 -6.673
113 HE2 TYR 15 1HE TYR 15 -5.680 -4.622 -7.742
114 HH TYR 15 HH TYR 15 -3.462 -4.316 -9.219
115 H ASP 16 H ASP 16 -4.485 -0.409 -6.486
116 HA ASP 16 HA ASP 16 -7.134 -0.035 -7.646
117 HB2 ASP 16 2HB ASP 16 -5.841 2.213 -7.195
118 HB3 ASP 16 1HB ASP 16 -4.932 1.746 -8.629
119 H GLU 17 H GLU 17 -7.358 -1.416 -9.291
120 HA GLU 17 HA GLU 17 -5.208 -2.986 -10.259
121 HB2 GLU 17 2HB GLU 17 -6.893 -3.726 -12.002
122 HB3 GLU 17 1HB GLU 17 -7.354 -3.978 -10.325
123 HG2 GLU 17 2HG GLU 17 -8.917 -2.244 -10.372
124 HG3 GLU 17 1HG GLU 17 -8.235 -1.546 -11.839
125 H ASP 18 H ASP 18 -6.632 0.005 -11.330
126 HA ASP 18 HA ASP 18 -5.815 0.074 -13.990
127 HB2 ASP 18 2HB ASP 18 -6.406 2.173 -11.940
128 HB3 ASP 18 1HB ASP 18 -5.706 2.656 -13.482
129 H SER 19 H SER 19 -4.139 1.628 -11.234
130 HA SER 19 HA SER 19 -1.702 1.774 -12.839
131 HB2 SER 19 2HB SER 19 -2.525 3.020 -10.217
132 HB3 SER 19 1HB SER 19 -0.871 3.107 -10.820
133 HG SER 19 HG SER 19 -1.476 4.488 -12.311
134 H GLU 20 H GLU 20 -3.052 -0.113 -10.284
135 HA GLU 20 HA GLU 20 -2.286 -1.899 -9.115
136 HB2 GLU 20 2HB GLU 20 0.169 -1.834 -10.869
137 HB3 GLU 20 1HB GLU 20 -0.492 -3.212 -10.004
138 HG2 GLU 20 2HG GLU 20 -2.441 -3.212 -11.460
139 HG3 GLU 20 1HG GLU 20 -1.820 -1.798 -12.307
140 H THR 21 H THR 21 -1.922 0.488 -7.926
141 HA THR 21 HA THR 21 0.557 0.077 -6.420
142 HB THR 21 HB THR 21 -0.375 2.768 -7.458
143 HG1 THR 21 1HG THR 21 1.310 2.665 -8.823
144 HG21 THR 21 3HG2 THR 21 1.280 3.827 -6.318
145 HG22 THR 21 1HG2 THR 21 2.291 2.388 -6.218
146 HG23 THR 21 2HG2 THR 21 0.894 2.558 -5.157
147 H TYR 22 H TYR 22 0.427 0.655 -4.235
148 HA TYR 22 HA TYR 22 -2.305 1.057 -3.245
149 HB2 TYR 22 2HB TYR 22 0.193 0.204 -1.761
150 HB3 TYR 22 1HB TYR 22 -1.421 0.308 -1.071
151 HD1 TYR 22 1HD TYR 22 0.701 -1.536 -3.465
152 HD2 TYR 22 2HD TYR 22 -3.018 -1.434 -1.399
153 HE1 TYR 22 1HE TYR 22 0.280 -3.866 -4.123
154 HE2 TYR 22 2HE TYR 22 -3.447 -3.767 -2.050
155 HH TYR 22 HH TYR 22 -1.080 -5.802 -3.293
156 H PHE 23 H PHE 23 -2.883 2.769 -1.930
157 HA PHE 23 HA PHE 23 -0.810 4.804 -1.426
158 HB2 PHE 23 2HB PHE 23 -3.664 5.404 -2.223
159 HB3 PHE 23 1HB PHE 23 -2.368 6.569 -1.977
160 HD1 PHE 23 2HD PHE 23 -3.548 3.832 -4.157
161 HD2 PHE 23 1HD PHE 23 -0.845 7.088 -3.702
162 HE1 PHE 23 2HE PHE 23 -2.958 3.668 -6.538
163 HE2 PHE 23 1HE PHE 23 -0.250 6.931 -6.084
164 HZ PHE 23 HZ PHE 23 -1.307 5.218 -7.506
165 H TYR 24 H TYR 24 -1.238 6.266 0.350
166 HA TYR 24 HA TYR 24 -3.254 5.371 2.280
167 HB2 TYR 24 2HB TYR 24 -0.968 4.295 2.718
168 HB3 TYR 24 1HB TYR 24 -0.418 5.909 3.154
169 HD1 TYR 24 1HD TYR 24 -2.949 3.321 4.008
170 HD2 TYR 24 2HD TYR 24 -0.786 6.747 5.314
171 HE1 TYR 24 1HE TYR 24 -3.825 3.001 6.280
172 HE2 TYR 24 2HE TYR 24 -1.654 6.434 7.592
173 HH TYR 24 HH TYR 24 -2.566 4.565 8.984
174 HA PRO 25 HA PRO 25 -3.849 9.767 2.637
175 HB2 PRO 25 2HB PRO 25 -5.241 9.802 4.979
176 HB3 PRO 25 1HB PRO 25 -5.952 9.333 3.430
177 HG2 PRO 25 2HG PRO 25 -4.915 7.600 5.641
178 HG3 PRO 25 1HG PRO 25 -6.388 7.416 4.671
179 HD2 PRO 25 2HD PRO 25 -4.157 5.983 4.179
180 HD3 PRO 25 1HD PRO 25 -5.249 6.505 2.882
181 H CYS 26 H CYS 26 -2.371 11.210 3.240
182 HA CYS 26 HA CYS 26 -0.774 10.715 5.638
183 HB2 CYS 26 2HB CYS 26 -0.089 11.566 3.090
184 HB3 CYS 26 1HB CYS 26 -0.030 13.044 4.046
185 HA PRO 27 HA PRO 27 -2.884 13.857 7.933
186 HB2 PRO 27 2HB PRO 27 -0.952 14.504 9.725
187 HB3 PRO 27 1HB PRO 27 -1.876 13.000 9.805
188 HG2 PRO 27 2HG PRO 27 0.871 13.479 8.718
189 HG3 PRO 27 1HG PRO 27 0.282 12.141 9.720
190 HD2 PRO 27 2HD PRO 27 0.621 11.925 7.040
191 HD3 PRO 27 1HD PRO 27 -0.637 11.035 7.923
192 H CYS 28 H CYS 28 0.021 14.511 6.168
193 HA CYS 28 HA CYS 28 0.131 17.313 6.793
194 HB2 CYS 28 2HB CYS 28 1.864 17.431 5.073
195 HB3 CYS 28 1HB CYS 28 2.157 16.073 6.152
196 H GLY 29 H GLY 29 -1.171 15.343 4.153
197 HA2 GLY 29 2HA GLY 29 -3.298 16.824 3.430
198 HA3 GLY 29 1HA GLY 29 -1.987 17.674 2.631
199 H ASP 30 H ASP 30 -0.379 15.672 1.745
200 HA ASP 30 HA ASP 30 -1.902 14.632 -0.468
201 HB2 ASP 30 2HB ASP 30 0.647 15.494 -0.226
202 HB3 ASP 30 1HB ASP 30 0.906 13.760 -0.065
203 H ASN 31 H ASN 31 -0.682 12.202 -1.028
204 HA ASN 31 HA ASN 31 -1.295 10.486 1.276
205 HB2 ASN 31 2HB ASN 31 -2.305 9.946 -1.526
206 HB3 ASN 31 1HB ASN 31 -2.619 8.983 -0.088
207 HD21 ASN 31 1HD2 ASN 31 -4.519 9.301 0.828
208 HD22 ASN 31 2HD2 ASN 31 -5.482 10.730 0.703
209 H PHE 32 H PHE 32 -0.058 8.663 1.459
210 HA PHE 32 HA PHE 32 2.435 8.553 0.136
211 HB2 PHE 32 2HB PHE 32 0.955 6.588 1.881
212 HB3 PHE 32 1HB PHE 32 2.527 6.209 1.190
213 HD1 PHE 32 1HD PHE 32 4.376 8.061 1.628
214 HD2 PHE 32 2HD PHE 32 0.881 7.486 3.989
215 HE1 PHE 32 1HE PHE 32 5.482 9.161 3.531
216 HE2 PHE 32 2HE PHE 32 1.982 8.588 5.893
217 HZ PHE 32 HZ PHE 32 4.285 9.426 5.665
218 H SER 33 H SER 33 3.252 6.591 -1.056
219 HA SER 33 HA SER 33 1.263 5.138 -2.596
220 HB2 SER 33 2HB SER 33 2.431 5.788 -4.762
221 HB3 SER 33 1HB SER 33 1.444 7.043 -4.015
222 HG SER 33 HG SER 33 4.258 6.791 -3.701
223 H ILE 34 H ILE 34 1.954 3.180 -3.293
224 HA ILE 34 HA ILE 34 4.775 2.531 -3.410
225 HB ILE 34 HB ILE 34 4.291 2.156 -1.037
226 HG12 ILE 34 2HG1 ILE 34 4.434 -0.639 -1.995
227 HG13 ILE 34 1HG1 ILE 34 5.603 0.467 -2.711
228 HG21 ILE 34 1HG2 ILE 34 2.498 -0.133 -1.542
229 HG22 ILE 34 2HG2 ILE 34 1.799 1.472 -1.756
230 HG23 ILE 34 3HG2 ILE 34 2.522 1.024 -0.212
231 HD11 ILE 34 3HD1 ILE 34 5.741 -0.837 -0.233
232 HD12 ILE 34 1HD1 ILE 34 5.525 0.879 0.110
233 HD13 ILE 34 2HD1 ILE 34 6.863 0.345 -0.905
234 H THR 35 H THR 35 5.086 1.255 -5.123
235 HA THR 35 HA THR 35 2.882 0.239 -6.616
236 HB THR 35 HB THR 35 4.776 -0.852 -7.982
237 HG1 THR 35 1HG THR 35 6.823 -0.183 -7.517
238 HG21 THR 35 3HG2 THR 35 3.719 1.623 -8.138
239 HG22 THR 35 1HG2 THR 35 4.927 0.986 -9.247
240 HG23 THR 35 2HG2 THR 35 5.425 2.006 -7.896
241 H LYS 36 H LYS 36 2.327 -1.897 -7.093
242 HA LYS 36 HA LYS 36 2.354 -3.695 -4.934
243 HB2 LYS 36 2HB LYS 36 0.610 -3.687 -6.667
244 HB3 LYS 36 1HB LYS 36 1.780 -4.241 -7.855
245 HG2 LYS 36 2HG LYS 36 1.276 -5.849 -5.388
246 HG3 LYS 36 1HG LYS 36 0.159 -5.933 -6.751
247 HD2 LYS 36 2HD LYS 36 2.866 -6.135 -7.690
248 HD3 LYS 36 1HD LYS 36 2.583 -7.323 -6.417
249 HE2 LYS 36 2HE LYS 36 1.912 -8.499 -8.265
250 HE3 LYS 36 1HE LYS 36 0.383 -7.786 -7.751
251 HZ1 LYS 36 3HZ LYS 36 0.351 -7.248 -9.947
252 HZ2 LYS 36 1HZ LYS 36 2.035 -7.161 -10.085
253 HZ3 LYS 36 2HZ LYS 36 1.177 -5.889 -9.373
254 H GLU 37 H GLU 37 4.359 -3.480 -7.833
255 HA GLU 37 HA GLU 37 5.686 -5.942 -7.599
256 HB2 GLU 37 2HB GLU 37 5.699 -4.197 -9.526
257 HB3 GLU 37 1HB GLU 37 7.048 -3.482 -8.653
258 HG2 GLU 37 2HG GLU 37 7.938 -5.964 -8.704
259 HG3 GLU 37 1HG GLU 37 6.876 -6.063 -10.107
260 H ASP 38 H ASP 38 6.330 -2.788 -6.138
261 HA ASP 38 HA ASP 38 8.870 -3.256 -5.088
262 HB2 ASP 38 2HB ASP 38 6.613 -1.439 -4.414
263 HB3 ASP 38 1HB ASP 38 7.822 -1.685 -3.161
264 H LEU 39 H LEU 39 5.682 -3.895 -3.673
265 HA LEU 39 HA LEU 39 6.568 -4.887 -1.209
266 HB2 LEU 39 2HB LEU 39 4.094 -5.789 -2.675
267 HB3 LEU 39 1HB LEU 39 4.375 -5.825 -0.945
268 HG LEU 39 HG LEU 39 3.990 -3.368 -2.656
269 HD11 LEU 39 1HD1 LEU 39 1.871 -4.138 -2.305
270 HD12 LEU 39 2HD1 LEU 39 2.096 -3.171 -0.849
271 HD13 LEU 39 3HD1 LEU 39 2.286 -4.922 -0.781
272 HD21 LEU 39 3HD2 LEU 39 5.661 -2.990 -0.879
273 HD22 LEU 39 1HD2 LEU 39 4.484 -3.531 0.317
274 HD23 LEU 39 2HD2 LEU 39 4.179 -2.072 -0.622
275 H GLU 40 H GLU 40 5.870 -6.595 -4.263
276 HA GLU 40 HA GLU 40 6.327 -9.197 -3.328
277 HB2 GLU 40 2HB GLU 40 6.822 -8.087 -6.097
278 HB3 GLU 40 1HB GLU 40 6.721 -9.793 -5.687
279 HG2 GLU 40 2HG GLU 40 4.400 -9.508 -5.011
280 HG3 GLU 40 1HG GLU 40 4.498 -7.787 -5.381
281 H ASN 41 H ASN 41 8.568 -6.695 -4.384
282 HA ASN 41 HA ASN 41 10.845 -8.470 -4.411
283 HB2 ASN 41 2HB ASN 41 10.358 -5.595 -4.984
284 HB3 ASN 41 1HB ASN 41 11.987 -6.051 -4.494
285 HD21 ASN 41 1HD2 ASN 41 13.263 -7.192 -5.866
286 HD22 ASN 41 2HD2 ASN 41 12.821 -7.567 -7.493
287 H GLY 42 H GLY 42 9.512 -6.027 -2.212
288 HA2 GLY 42 2HA GLY 42 10.085 -6.831 0.192
289 HA3 GLY 42 1HA GLY 42 11.726 -6.506 -0.344
290 H GLU 43 H GLU 43 10.267 -4.232 -1.998
291 HA GLU 43 HA GLU 43 10.950 -2.134 -0.217
292 HB2 GLU 43 2HB GLU 43 9.716 -2.292 -2.946
293 HB3 GLU 43 1HB GLU 43 9.699 -0.764 -2.075
294 HG2 GLU 43 2HG GLU 43 12.281 -1.380 -1.798
295 HG3 GLU 43 1HG GLU 43 11.949 -2.231 -3.305
296 H ASP 44 H ASP 44 9.607 -2.676 1.598
297 HA ASP 44 HA ASP 44 6.745 -2.151 1.291
298 HB2 ASP 44 2HB ASP 44 6.602 -2.962 3.660
299 HB3 ASP 44 1HB ASP 44 7.208 -4.154 2.520
300 H VAL 45 H VAL 45 8.385 0.044 0.917
301 HA VAL 45 HA VAL 45 7.730 1.670 3.281
302 HB VAL 45 HB VAL 45 10.156 1.328 3.219
303 HG11 VAL 45 1HG1 VAL 45 11.519 1.759 1.420
304 HG12 VAL 45 2HG1 VAL 45 10.388 2.901 0.697
305 HG13 VAL 45 3HG1 VAL 45 10.073 1.169 0.602
306 HG21 VAL 45 3HG2 VAL 45 9.168 3.468 4.017
307 HG22 VAL 45 1HG2 VAL 45 9.461 4.150 2.416
308 HG23 VAL 45 2HG2 VAL 45 10.818 3.628 3.414
309 H ALA 46 H ALA 46 6.610 3.491 2.889
310 HA ALA 46 HA ALA 46 6.249 4.281 0.073
311 HB1 ALA 46 1HB ALA 46 4.048 4.320 0.387
312 HB2 ALA 46 2HB ALA 46 4.208 5.319 1.831
313 HB3 ALA 46 3HB ALA 46 4.321 3.564 1.957
314 H THR 47 H THR 47 6.670 6.336 -0.526
315 HA THR 47 HA THR 47 7.475 8.220 1.594
316 HB THR 47 HB THR 47 8.504 8.304 -1.239
317 HG1 THR 47 1HG THR 47 9.515 6.831 0.959
318 HG21 THR 47 3HG2 THR 47 8.824 10.094 0.795
319 HG22 THR 47 1HG2 THR 47 9.913 9.895 -0.577
320 HG23 THR 47 2HG2 THR 47 10.261 9.084 0.950
321 H CYS 48 H CYS 48 6.531 10.168 1.669
322 HA CYS 48 HA CYS 48 4.424 10.745 -0.262
323 HB2 CYS 48 2HB CYS 48 4.030 10.899 2.220
324 HB3 CYS 48 1HB CYS 48 5.131 12.271 2.253
325 HA PRO 49 HA PRO 49 7.043 13.723 -2.301
326 HB2 PRO 49 2HB PRO 49 5.248 14.730 -4.027
327 HB3 PRO 49 1HB PRO 49 5.894 13.093 -4.195
328 HG2 PRO 49 2HG PRO 49 3.263 13.991 -3.101
329 HG3 PRO 49 1HG PRO 49 3.633 12.593 -4.124
330 HD2 PRO 49 2HD PRO 49 3.261 12.483 -1.393
331 HD3 PRO 49 1HD PRO 49 4.171 11.285 -2.333
332 H SER 50 H SER 50 4.692 14.481 -0.062
333 HA SER 50 HA SER 50 4.953 17.375 -0.489
334 HB2 SER 50 2HB SER 50 2.665 16.053 -0.139
335 HB3 SER 50 1HB SER 50 3.085 16.278 1.560
336 HG SER 50 HG SER 50 2.542 18.209 -0.412
337 H CYS 51 H CYS 51 5.021 14.944 2.128
338 HA CYS 51 HA CYS 51 6.577 16.823 3.761
339 HB2 CYS 51 2HB CYS 51 6.016 15.416 5.661
340 HB3 CYS 51 1HB CYS 51 4.554 15.850 4.782
341 H SER 52 H SER 52 6.874 13.823 2.031
342 HA SER 52 HA SER 52 8.676 12.520 1.551
343 HB2 SER 52 2HB SER 52 9.801 14.924 1.706
344 HB3 SER 52 1HB SER 52 10.557 14.216 3.133
345 HG SER 52 HG SER 52 10.846 13.544 0.438
346 H LEU 53 H LEU 53 7.071 11.893 3.736
347 HA LEU 53 HA LEU 53 8.874 11.024 5.865
348 HB2 LEU 53 2HB LEU 53 6.598 12.125 6.257
349 HB3 LEU 53 1HB LEU 53 5.895 10.609 5.729
350 HG LEU 53 HG LEU 53 6.922 9.434 7.590
351 HD11 LEU 53 1HD1 LEU 53 8.970 10.482 7.970
352 HD12 LEU 53 2HD1 LEU 53 8.009 10.902 9.388
353 HD13 LEU 53 3HD1 LEU 53 8.236 12.081 8.097
354 HD21 LEU 53 3HD2 LEU 53 5.791 11.791 8.973
355 HD22 LEU 53 1HD2 LEU 53 5.374 10.083 9.107
356 HD23 LEU 53 2HD2 LEU 53 4.785 11.029 7.742
357 H ILE 54 H ILE 54 8.623 8.770 6.691
358 HA ILE 54 HA ILE 54 8.269 6.895 4.442
359 HB ILE 54 HB ILE 54 9.835 5.385 5.665
360 HG12 ILE 54 2HG1 ILE 54 10.324 7.820 7.401
361 HG13 ILE 54 1HG1 ILE 54 9.518 6.344 7.920
362 HG21 ILE 54 1HG2 ILE 54 10.495 7.050 3.844
363 HG22 ILE 54 2HG2 ILE 54 11.786 6.390 4.848
364 HG23 ILE 54 3HG2 ILE 54 11.182 8.019 5.149
365 HD11 ILE 54 3HD1 ILE 54 12.218 6.030 6.776
366 HD12 ILE 54 1HD1 ILE 54 11.452 5.206 8.134
367 HD13 ILE 54 2HD1 ILE 54 12.104 6.831 8.344
368 H ILE 55 H ILE 55 7.122 5.007 4.749
369 HA ILE 55 HA ILE 55 5.994 4.458 7.389
370 HB ILE 55 HB ILE 55 3.727 4.089 6.394
371 HG12 ILE 55 2HG1 ILE 55 4.365 5.948 4.167
372 HG13 ILE 55 1HG1 ILE 55 4.894 4.280 3.978
373 HG21 ILE 55 1HG2 ILE 55 3.063 6.410 6.503
374 HG22 ILE 55 2HG2 ILE 55 4.728 6.926 6.246
375 HG23 ILE 55 3HG2 ILE 55 4.287 6.076 7.726
376 HD11 ILE 55 3HD1 ILE 55 2.782 3.490 3.781
377 HD12 ILE 55 1HD1 ILE 55 2.514 5.125 3.180
378 HD13 ILE 55 2HD1 ILE 55 2.101 4.721 4.846
379 H LYS 56 H LYS 56 5.473 2.304 7.752
380 HA LYS 56 HA LYS 56 6.619 0.440 5.823
381 HB2 LYS 56 2HB LYS 56 7.276 0.312 8.214
382 HB3 LYS 56 1HB LYS 56 5.611 -0.070 8.629
383 HG2 LYS 56 2HG LYS 56 6.645 -2.139 8.607
384 HG3 LYS 56 1HG LYS 56 5.886 -2.057 7.018
385 HD2 LYS 56 2HD LYS 56 7.869 -1.971 5.928
386 HD3 LYS 56 1HD LYS 56 8.638 -1.004 7.188
387 HE2 LYS 56 2HE LYS 56 9.553 -3.329 6.902
388 HE3 LYS 56 1HE LYS 56 9.034 -2.916 8.536
389 HZ1 LYS 56 3HZ LYS 56 7.158 -4.253 8.360
390 HZ2 LYS 56 1HZ LYS 56 8.350 -5.170 7.583
391 HZ3 LYS 56 2HZ LYS 56 7.217 -4.310 6.669
392 H VAL 57 H VAL 57 5.581 -1.014 4.692
393 HA VAL 57 HA VAL 57 2.652 -1.057 4.901
394 HB VAL 57 HB VAL 57 3.951 -2.181 2.480
395 HG11 VAL 57 1HG1 VAL 57 1.592 -0.399 3.035
396 HG12 VAL 57 2HG1 VAL 57 1.559 -2.119 2.654
397 HG13 VAL 57 3HG1 VAL 57 2.060 -0.954 1.429
398 HG21 VAL 57 3HG2 VAL 57 4.325 -0.020 1.450
399 HG22 VAL 57 1HG2 VAL 57 5.313 -0.159 2.901
400 HG23 VAL 57 2HG2 VAL 57 3.839 0.806 2.930
401 H ILE 58 H ILE 58 1.891 -2.783 5.927
402 HA ILE 58 HA ILE 58 3.417 -5.274 5.937
403 HB ILE 58 HB ILE 58 0.855 -4.682 7.421
404 HG12 ILE 58 2HG1 ILE 58 2.557 -3.055 8.082
405 HG13 ILE 58 1HG1 ILE 58 2.281 -4.211 9.380
406 HG21 ILE 58 1HG2 ILE 58 1.024 -6.925 7.643
407 HG22 ILE 58 2HG2 ILE 58 2.152 -6.483 8.923
408 HG23 ILE 58 3HG2 ILE 58 2.760 -6.940 7.332
409 HD11 ILE 58 3HD1 ILE 58 4.561 -4.078 9.386
410 HD12 ILE 58 1HD1 ILE 58 4.664 -3.838 7.641
411 HD13 ILE 58 2HD1 ILE 58 4.323 -5.441 8.293
412 H TYR 59 H TYR 59 2.822 -7.093 4.899
413 HA TYR 59 HA TYR 59 0.131 -7.483 3.910
414 HB2 TYR 59 2HB TYR 59 0.972 -7.815 1.535
415 HB3 TYR 59 1HB TYR 59 0.909 -6.146 2.092
416 HD1 TYR 59 1HD TYR 59 2.956 -4.895 2.518
417 HD2 TYR 59 2HD TYR 59 3.099 -8.920 1.146
418 HE1 TYR 59 1HE TYR 59 5.339 -4.623 1.986
419 HE2 TYR 59 2HE TYR 59 5.481 -8.657 0.605
420 HH TYR 59 HH TYR 59 7.074 -6.796 0.089
421 H ASP 60 H ASP 60 0.179 -9.586 2.432
422 HA ASP 60 HA ASP 60 1.576 -11.592 4.016
423 HB2 ASP 60 2HB ASP 60 -0.887 -11.769 3.414
424 HB3 ASP 60 1HB ASP 60 -0.371 -12.100 1.762
425 H LYS 61 H LYS 61 3.627 -11.890 3.415
426 HA LYS 61 HA LYS 61 4.677 -11.510 0.842
427 HB2 LYS 61 2HB LYS 61 5.627 -12.825 3.337
428 HB3 LYS 61 1HB LYS 61 6.483 -13.194 1.845
429 HG2 LYS 61 2HG LYS 61 5.975 -10.339 2.343
430 HG3 LYS 61 1HG LYS 61 7.087 -11.132 3.461
431 HD2 LYS 61 2HD LYS 61 8.620 -10.631 1.885
432 HD3 LYS 61 1HD LYS 61 8.001 -12.091 1.108
433 HE2 LYS 61 2HE LYS 61 6.330 -10.567 -0.061
434 HE3 LYS 61 1HE LYS 61 7.318 -9.224 0.509
435 HZ1 LYS 61 3HZ LYS 61 8.740 -11.362 -0.855
436 HZ2 LYS 61 1HZ LYS 61 8.948 -9.685 -0.951
437 HZ3 LYS 61 2HZ LYS 61 7.705 -10.435 -1.819
438 H ASP 62 H ASP 62 3.147 -14.290 2.328
439 HA ASP 62 HA ASP 62 4.030 -16.249 0.495
440 HB2 ASP 62 2HB ASP 62 2.745 -16.460 2.793
441 HB3 ASP 62 1HB ASP 62 1.322 -16.440 1.755
442 H GLN 63 H GLN 63 1.273 -14.043 0.506
443 HA GLN 63 HA GLN 63 0.110 -15.140 -1.879
444 HB2 GLN 63 2HB GLN 63 -0.455 -12.807 -0.105
445 HB3 GLN 63 1HB GLN 63 -1.138 -12.809 -1.725
446 HG2 GLN 63 2HG GLN 63 -1.508 -15.304 -0.232
447 HG3 GLN 63 1HG GLN 63 -2.317 -13.896 0.455
448 HE21 GLN 63 1HE2 GLN 63 -1.740 -15.244 -2.791
449 HE22 GLN 63 2HE2 GLN 63 -3.374 -15.080 -3.328
450 H PHE 64 H PHE 64 1.937 -12.175 -1.121
451 HA PHE 64 HA PHE 64 1.930 -11.087 -3.703
452 HB2 PHE 64 2HB PHE 64 3.625 -10.717 -1.275
453 HB3 PHE 64 1HB PHE 64 4.207 -10.058 -2.802
454 HD1 PHE 64 1HD PHE 64 1.299 -10.032 -0.494
455 HD2 PHE 64 2HD PHE 64 3.395 -8.025 -3.608
456 HE1 PHE 64 1HE PHE 64 -0.155 -8.070 -0.204
457 HE2 PHE 64 2HE PHE 64 1.946 -6.059 -3.320
458 HZ PHE 64 HZ PHE 64 0.168 -6.080 -1.616
459 H VAL 65 H VAL 65 4.240 -13.299 -2.146
460 HA VAL 65 HA VAL 65 5.804 -13.485 -4.597
461 HB VAL 65 HB VAL 65 6.200 -15.056 -2.045
462 HG11 VAL 65 1HG1 VAL 65 8.146 -15.820 -2.910
463 HG12 VAL 65 2HG1 VAL 65 8.448 -14.346 -3.829
464 HG13 VAL 65 3HG1 VAL 65 7.308 -15.544 -4.437
465 HG21 VAL 65 3HG2 VAL 65 7.633 -12.519 -2.807
466 HG22 VAL 65 1HG2 VAL 65 7.726 -13.404 -1.285
467 HG23 VAL 65 2HG2 VAL 65 6.243 -12.556 -1.722
468 H SER 66 H SER 66 4.184 -14.421 -5.951
469 HA SER 66 HA SER 66 3.814 -17.304 -5.474
470 HB2 SER 66 2HB SER 66 1.786 -15.216 -6.004
471 HB3 SER 66 1HB SER 66 1.602 -16.706 -6.927
472 HG SER 66 HG SER 66 0.734 -16.366 -4.567
473 H GLY 67 H GLY 67 5.537 -17.807 -6.867
474 HA2 GLY 67 2HA GLY 67 5.452 -16.845 -9.618
475 HA3 GLY 67 1HA GLY 67 6.707 -17.847 -8.903
476 H GLU 68 H GLU 68 4.982 -19.874 -7.850
477 HA GLU 68 HA GLU 68 4.284 -21.224 -10.361
478 HB2 GLU 68 2HB GLU 68 5.927 -22.111 -8.476
479 HB3 GLU 68 1HB GLU 68 4.426 -22.670 -7.752
480 HG2 GLU 68 2HG GLU 68 3.965 -24.108 -9.536
481 HG3 GLU 68 1HG GLU 68 5.131 -23.313 -10.593
482 H THR 69 H THR 69 2.460 -19.311 -9.307
483 HA THR 69 HA THR 69 0.330 -20.845 -8.042
484 HB THR 69 HB THR 69 0.824 -18.570 -7.235
485 HG1 THR 69 1HG THR 69 -1.270 -17.994 -7.047
486 HG21 THR 69 3HG2 THR 69 1.517 -17.406 -9.193
487 HG22 THR 69 1HG2 THR 69 0.056 -16.629 -8.585
488 HG23 THR 69 2HG2 THR 69 -0.031 -17.700 -9.984
489 H VAL 70 H VAL 70 -1.954 -20.376 -8.933
490 HA VAL 70 HA VAL 70 -1.940 -20.460 -11.873
491 HB VAL 70 HB VAL 70 -2.126 -22.755 -11.051
492 HG11 VAL 70 1HG1 VAL 70 -3.136 -22.242 -8.863
493 HG12 VAL 70 2HG1 VAL 70 -4.007 -23.506 -9.731
494 HG13 VAL 70 3HG1 VAL 70 -4.658 -21.869 -9.674
495 HG21 VAL 70 3HG2 VAL 70 -4.271 -23.354 -12.173
496 HG22 VAL 70 1HG2 VAL 70 -3.240 -22.276 -13.113
497 HG23 VAL 70 2HG2 VAL 70 -4.646 -21.634 -12.266
498 HA PRO 71 HA PRO 71 -5.173 -17.440 -11.365
499 HB2 PRO 71 2HB PRO 71 -5.950 -17.242 -13.938
500 HB3 PRO 71 1HB PRO 71 -4.397 -16.608 -13.377
501 HG2 PRO 71 2HG PRO 71 -4.995 -19.172 -14.804
502 HG3 PRO 71 1HG PRO 71 -3.670 -18.024 -15.074
503 HD2 PRO 71 2HD PRO 71 -3.397 -20.339 -13.653
504 HD3 PRO 71 1HD PRO 71 -2.409 -18.894 -13.366
505 H ALA 72 H ALA 72 -7.531 -17.179 -12.430
506 HA ALA 72 HA ALA 72 -8.906 -19.759 -12.522
507 HB1 ALA 72 1HB ALA 72 -9.562 -17.568 -10.560
508 HB2 ALA 72 2HB ALA 72 -8.991 -19.196 -10.192
509 HB3 ALA 72 3HB ALA 72 -10.594 -18.961 -10.886
510 HA PRO 73 HA PRO 73 -11.397 -18.076 -15.748
511 HB2 PRO 73 2HB PRO 73 -13.749 -19.132 -14.254
512 HB3 PRO 73 1HB PRO 73 -13.261 -19.412 -15.928
513 HG2 PRO 73 2HG PRO 73 -12.907 -21.291 -14.077
514 HG3 PRO 73 1HG PRO 73 -11.694 -21.017 -15.342
515 HD2 PRO 73 2HD PRO 73 -11.645 -20.232 -12.463
516 HD3 PRO 73 1HD PRO 73 -10.317 -20.769 -13.512
517 H SER 74 H SER 74 -12.471 -16.217 -16.207
518 HA SER 74 HA SER 74 -14.173 -14.902 -14.303
519 HB2 SER 74 2HB SER 74 -11.566 -14.363 -13.880
520 HB3 SER 74 1HB SER 74 -11.919 -13.143 -15.104
521 HG SER 74 HG SER 74 -13.174 -13.507 -12.589
522 H ALA 75 H ALA 75 -15.620 -13.612 -15.301
523 HA ALA 75 HA ALA 75 -15.275 -13.182 -18.194
524 HB1 ALA 75 1HB ALA 75 -17.613 -13.766 -16.472
525 HB2 ALA 75 2HB ALA 75 -17.237 -14.322 -18.103
526 HB3 ALA 75 3HB ALA 75 -17.877 -12.698 -17.851
527 H ASN 76 H ASN 76 -14.633 -11.185 -18.712
528 HA ASN 76 HA ASN 76 -15.115 -8.966 -16.916
529 HB2 ASN 76 2HB ASN 76 -13.830 -7.645 -18.644
530 HB3 ASN 76 1HB ASN 76 -12.950 -8.984 -17.920
531 HD21 ASN 76 1HD2 ASN 76 -14.125 -7.598 -20.803
532 HD22 ASN 76 2HD2 ASN 76 -13.581 -8.830 -21.886
533 H LYS 77 H LYS 77 -17.120 -8.171 -16.907
534 HA LYS 77 HA LYS 77 -18.885 -8.222 -19.117
535 HB2 LYS 77 2HB LYS 77 -20.353 -6.831 -17.750
536 HB3 LYS 77 1HB LYS 77 -19.683 -8.150 -16.802
537 HG2 LYS 77 2HG LYS 77 -18.423 -6.760 -15.497
538 HG3 LYS 77 1HG LYS 77 -18.281 -5.527 -16.749
539 HD2 LYS 77 2HD LYS 77 -20.957 -5.503 -16.302
540 HD3 LYS 77 1HD LYS 77 -20.355 -5.917 -14.698
541 HE2 LYS 77 2HE LYS 77 -20.242 -3.662 -14.503
542 HE3 LYS 77 1HE LYS 77 -18.675 -3.919 -15.269
543 HZ1 LYS 77 3HZ LYS 77 -19.434 -3.139 -17.284
544 HZ2 LYS 77 1HZ LYS 77 -20.277 -2.142 -16.207
545 HZ3 LYS 77 2HZ LYS 77 -21.059 -3.452 -16.936
546 H GLU 78 H GLU 78 -19.493 -6.661 -20.577
547 HA GLU 78 HA GLU 78 -18.401 -3.994 -20.432
548 HB2 GLU 78 2HB GLU 78 -16.747 -5.761 -21.597
549 HB3 GLU 78 1HB GLU 78 -17.736 -5.340 -22.991
550 HG2 GLU 78 2HG GLU 78 -17.251 -2.899 -22.291
551 HG3 GLU 78 1HG GLU 78 -15.931 -3.607 -21.362
552 H LEU 79 H LEU 79 -20.333 -3.025 -20.641
553 HA LEU 79 HA LEU 79 -21.579 -2.974 -23.214
554 HB2 LEU 79 2HB LEU 79 -23.854 -3.625 -22.342
555 HB3 LEU 79 1HB LEU 79 -22.710 -4.937 -22.557
556 HG LEU 79 HG LEU 79 -22.984 -3.680 -19.856
557 HD11 LEU 79 1HD1 LEU 79 -24.717 -5.551 -19.453
558 HD12 LEU 79 2HD1 LEU 79 -24.967 -5.477 -21.197
559 HD13 LEU 79 3HD1 LEU 79 -25.247 -4.046 -20.204
560 HD21 LEU 79 3HD2 LEU 79 -22.003 -6.220 -21.030
561 HD22 LEU 79 1HD2 LEU 79 -22.730 -6.291 -19.425
562 HD23 LEU 79 2HD2 LEU 79 -21.341 -5.245 -19.720
563 H VAL 80 H VAL 80 -20.353 -1.021 -21.627
564 HA VAL 80 HA VAL 80 -22.338 0.516 -20.230
565 HB VAL 80 HB VAL 80 -19.628 1.464 -21.174
566 HG11 VAL 80 1HG1 VAL 80 -21.717 2.533 -19.351
567 HG12 VAL 80 2HG1 VAL 80 -20.651 3.379 -20.474
568 HG13 VAL 80 3HG1 VAL 80 -20.027 2.806 -18.927
569 HG21 VAL 80 3HG2 VAL 80 -19.193 0.936 -18.596
570 HG22 VAL 80 1HG2 VAL 80 -18.913 -0.255 -19.866
571 HG23 VAL 80 2HG2 VAL 80 -20.402 -0.305 -18.922
572 H LYS 81 H LYS 81 -23.860 1.696 -21.186
573 HA LYS 81 HA LYS 81 -23.193 3.291 -23.540
574 HB2 LYS 81 2HB LYS 81 -25.166 1.054 -23.484
575 HB3 LYS 81 1HB LYS 81 -25.585 2.494 -24.401
576 HG2 LYS 81 2HG LYS 81 -23.119 2.093 -25.352
577 HG3 LYS 81 1HG LYS 81 -23.539 0.431 -24.932
578 HD2 LYS 81 2HD LYS 81 -25.615 1.960 -26.371
579 HD3 LYS 81 1HD LYS 81 -24.158 1.588 -27.292
580 HE2 LYS 81 2HE LYS 81 -24.423 -0.773 -26.824
581 HE3 LYS 81 1HE LYS 81 -25.814 -0.441 -25.794
582 HZ1 LYS 81 3HZ LYS 81 -25.631 -0.042 -28.731
583 HZ2 LYS 81 1HZ LYS 81 -26.932 0.491 -27.786
584 HZ3 LYS 81 2HZ LYS 81 -26.597 -1.162 -27.910
585 H LEU 82 H LEU 82 -23.886 3.779 -20.654
586 HA LEU 82 HA LEU 82 -24.968 5.389 -19.464
587 HB2 LEU 82 2HB LEU 82 -24.717 6.548 -21.849
588 HB3 LEU 82 1HB LEU 82 -26.464 6.403 -21.825
589 HG LEU 82 HG LEU 82 -25.184 7.597 -19.426
590 HD11 LEU 82 1HD1 LEU 82 -23.917 8.842 -20.911
591 HD12 LEU 82 2HD1 LEU 82 -25.350 9.846 -20.688
592 HD13 LEU 82 3HD1 LEU 82 -25.184 8.857 -22.139
593 HD21 LEU 82 3HD2 LEU 82 -27.766 7.670 -20.850
594 HD22 LEU 82 1HD2 LEU 82 -27.254 9.178 -20.092
595 HD23 LEU 82 2HD2 LEU 82 -27.417 7.714 -19.123
596 H GLU 83 H GLU 83 -27.008 5.807 -18.477
597 HA GLU 83 HA GLU 83 -28.795 3.610 -18.556
598 HB2 GLU 83 2HB GLU 83 -28.792 6.259 -17.147
599 HB3 GLU 83 1HB GLU 83 -30.225 5.240 -17.101
600 HG2 GLU 83 2HG GLU 83 -29.301 3.779 -15.676
601 HG3 GLU 83 1HG GLU 83 -27.721 3.861 -16.456
602 H HIS 84 H HIS 84 -30.937 3.482 -19.241
603 HA HIS 84 HA HIS 84 -32.023 5.674 -20.829
604 HB2 HIS 84 2HB HIS 84 -30.621 3.783 -22.148
605 HB3 HIS 84 1HB HIS 84 -32.203 3.012 -22.128
606 HD1 HIS 84 1HD HIS 84 -34.171 4.982 -22.876
607 HD2 HIS 84 2HD HIS 84 -30.316 5.191 -24.413
608 HE1 HIS 84 1HE HIS 84 -34.357 6.354 -24.975
609 HE2 HIS 84 2HE HIS 84 -32.025 6.406 -25.926
Start of MODEL 6
1 H1 MET 1 1HT MET 1 14.299 10.296 9.123
2 H2 MET 1 2HT MET 1 14.270 9.938 7.445
3 H3 MET 1 3HT MET 1 15.770 10.086 8.268
4 HA MET 1 HA MET 1 13.717 8.010 8.659
5 HB2 MET 1 2HB MET 1 15.225 7.989 6.598
6 HB3 MET 1 1HB MET 1 16.570 7.750 7.704
7 HG2 MET 1 2HG MET 1 15.998 5.606 8.167
8 HG3 MET 1 1HG MET 1 14.273 5.901 7.956
9 HE1 MET 1 2HE MET 1 17.158 5.785 4.407
10 HE2 MET 1 3HE MET 1 17.662 4.857 5.820
11 HE3 MET 1 1HE MET 1 17.389 6.594 5.957
12 H ALA 2 H ALA 2 13.943 6.700 10.417
13 HA ALA 2 HA ALA 2 16.290 6.534 12.008
14 HB1 ALA 2 1HB ALA 2 14.129 7.821 13.589
15 HB2 ALA 2 2HB ALA 2 15.106 8.848 12.541
16 HB3 ALA 2 3HB ALA 2 15.879 7.883 13.799
17 H VAL 3 H VAL 3 12.780 6.521 12.710
18 HA VAL 3 HA VAL 3 12.938 3.622 13.190
19 HB VAL 3 HB VAL 3 11.342 3.947 15.131
20 HG11 VAL 3 1HG1 VAL 3 14.012 3.736 15.108
21 HG12 VAL 3 2HG1 VAL 3 13.065 3.850 16.591
22 HG13 VAL 3 3HG1 VAL 3 13.850 5.286 15.935
23 HG21 VAL 3 3HG2 VAL 3 12.388 6.712 15.451
24 HG22 VAL 3 1HG2 VAL 3 10.887 5.994 16.035
25 HG23 VAL 3 2HG2 VAL 3 11.042 6.458 14.341
26 H PHE 4 H PHE 4 11.826 5.369 10.996
27 HA PHE 4 HA PHE 4 10.039 5.438 9.606
28 HB2 PHE 4 2HB PHE 4 9.917 2.852 10.938
29 HB3 PHE 4 1HB PHE 4 8.338 3.405 10.406
30 HD1 PHE 4 1HD PHE 4 11.804 3.467 9.003
31 HD2 PHE 4 2HD PHE 4 7.700 2.514 8.400
32 HE1 PHE 4 1HE PHE 4 12.318 2.707 6.720
33 HE2 PHE 4 2HE PHE 4 8.211 1.753 6.117
34 HZ PHE 4 HZ PHE 4 10.520 1.848 5.275
35 H HIS 5 H HIS 5 7.435 5.318 9.685
36 HA HIS 5 HA HIS 5 6.703 7.165 11.836
37 HB2 HIS 5 2HB HIS 5 6.311 7.735 9.387
38 HB3 HIS 5 1HB HIS 5 5.059 6.498 9.392
39 HD1 HIS 5 1HD HIS 5 5.910 9.734 11.181
40 HD2 HIS 5 2HD HIS 5 2.624 7.375 10.230
41 HE1 HIS 5 1HE HIS 5 3.900 11.053 11.917
42 HE2 HIS 5 2HE HIS 5 1.919 9.647 11.245
43 H ASP 6 H ASP 6 5.118 4.492 10.078
44 HA ASP 6 HA ASP 6 4.396 3.119 12.472
45 HB2 ASP 6 2HB ASP 6 2.422 4.953 11.208
46 HB3 ASP 6 1HB ASP 6 1.831 3.368 11.692
47 H GLU 7 H GLU 7 3.148 1.142 12.019
48 HA GLU 7 HA GLU 7 3.597 0.219 9.257
49 HB2 GLU 7 2HB GLU 7 3.229 -1.491 11.725
50 HB3 GLU 7 1HB GLU 7 3.730 -2.028 10.128
51 HG2 GLU 7 2HG GLU 7 5.868 -1.433 10.453
52 HG3 GLU 7 1HG GLU 7 5.437 0.035 11.329
53 H VAL 8 H VAL 8 1.841 -0.031 8.025
54 HA VAL 8 HA VAL 8 -0.717 -0.695 9.334
55 HB VAL 8 HB VAL 8 -0.453 1.063 6.891
56 HG11 VAL 8 1HG1 VAL 8 -2.835 0.701 8.692
57 HG12 VAL 8 2HG1 VAL 8 -2.567 -0.283 7.255
58 HG13 VAL 8 3HG1 VAL 8 -2.772 1.461 7.103
59 HG21 VAL 8 3HG2 VAL 8 0.492 2.107 8.965
60 HG22 VAL 8 1HG2 VAL 8 -1.108 1.958 9.693
61 HG23 VAL 8 2HG2 VAL 8 -0.879 2.967 8.265
62 H GLU 9 H GLU 9 -2.011 -2.194 8.342
63 HA GLU 9 HA GLU 9 -0.783 -4.061 6.605
64 HB2 GLU 9 2HB GLU 9 -3.677 -3.745 7.423
65 HB3 GLU 9 1HB GLU 9 -3.047 -5.117 6.522
66 HG2 GLU 9 2HG GLU 9 -1.835 -5.914 8.337
67 HG3 GLU 9 1HG GLU 9 -1.871 -4.361 9.168
68 H ILE 10 H ILE 10 -0.996 -4.440 4.450
69 HA ILE 10 HA ILE 10 -1.455 -2.315 2.710
70 HB ILE 10 HB ILE 10 -0.093 -4.307 2.170
71 HG12 ILE 10 2HG1 ILE 10 -0.964 -4.563 -0.218
72 HG13 ILE 10 1HG1 ILE 10 -2.274 -3.488 0.257
73 HG21 ILE 10 1HG2 ILE 10 -1.257 -6.311 1.248
74 HG22 ILE 10 2HG2 ILE 10 -2.765 -5.669 1.899
75 HG23 ILE 10 3HG2 ILE 10 -1.443 -6.092 2.988
76 HD11 ILE 10 3HD1 ILE 10 0.478 -2.578 0.830
77 HD12 ILE 10 1HD1 ILE 10 -0.939 -1.666 0.309
78 HD13 ILE 10 2HD1 ILE 10 -0.027 -2.622 -0.860
79 H GLU 11 H GLU 11 -3.690 -4.673 4.002
80 HA GLU 11 HA GLU 11 -5.786 -4.468 2.163
81 HB2 GLU 11 2HB GLU 11 -5.634 -6.119 4.025
82 HB3 GLU 11 1HB GLU 11 -6.007 -4.828 5.159
83 HG2 GLU 11 2HG GLU 11 -8.097 -4.589 3.484
84 HG3 GLU 11 1HG GLU 11 -7.767 -6.313 3.321
85 H ASP 12 H ASP 12 -4.848 -2.371 4.845
86 HA ASP 12 HA ASP 12 -7.188 -0.735 4.783
87 HB2 ASP 12 2HB ASP 12 -4.513 -0.586 6.103
88 HB3 ASP 12 1HB ASP 12 -5.474 0.885 6.001
89 H PHE 13 H PHE 13 -4.145 -0.729 3.062
90 HA PHE 13 HA PHE 13 -4.144 1.941 2.164
91 HB2 PHE 13 2HB PHE 13 -2.863 -0.591 1.190
92 HB3 PHE 13 1HB PHE 13 -2.779 0.862 0.206
93 HD1 PHE 13 2HD PHE 13 -2.180 -0.207 3.737
94 HD2 PHE 13 1HD PHE 13 -0.962 2.228 0.465
95 HE1 PHE 13 2HE PHE 13 -0.234 0.555 5.033
96 HE2 PHE 13 1HE PHE 13 0.987 2.992 1.750
97 HZ PHE 13 HZ PHE 13 1.355 2.155 4.042
98 H GLN 14 H GLN 14 -4.482 2.668 -0.073
99 HA GLN 14 HA GLN 14 -6.993 1.596 -1.121
100 HB2 GLN 14 2HB GLN 14 -6.657 4.064 -0.603
101 HB3 GLN 14 1HB GLN 14 -5.571 4.118 -1.986
102 HG2 GLN 14 2HG GLN 14 -8.176 2.926 -2.572
103 HG3 GLN 14 1HG GLN 14 -8.253 4.608 -2.049
104 HE21 GLN 14 1HE2 GLN 14 -6.480 6.001 -3.139
105 HE22 GLN 14 2HE2 GLN 14 -6.341 5.801 -4.849
106 H TYR 15 H TYR 15 -6.508 -0.141 -2.396
107 HA TYR 15 HA TYR 15 -4.247 -0.266 -4.108
108 HB2 TYR 15 2HB TYR 15 -5.311 -2.306 -3.291
109 HB3 TYR 15 1HB TYR 15 -6.798 -1.897 -4.140
110 HD1 TYR 15 1HD TYR 15 -3.156 -2.285 -4.947
111 HD2 TYR 15 2HD TYR 15 -7.180 -3.025 -6.114
112 HE1 TYR 15 1HE TYR 15 -2.352 -3.499 -6.927
113 HE2 TYR 15 2HE TYR 15 -6.386 -4.242 -8.097
114 HH TYR 15 HH TYR 15 -3.957 -4.067 -9.518
115 H ASP 16 H ASP 16 -3.986 0.230 -6.209
116 HA ASP 16 HA ASP 16 -6.279 1.435 -7.612
117 HB2 ASP 16 2HB ASP 16 -4.613 3.121 -6.957
118 HB3 ASP 16 1HB ASP 16 -3.356 2.212 -7.788
119 H GLU 17 H GLU 17 -6.844 -0.470 -8.681
120 HA GLU 17 HA GLU 17 -5.128 -2.220 -10.005
121 HB2 GLU 17 2HB GLU 17 -7.167 -2.710 -11.472
122 HB3 GLU 17 1HB GLU 17 -7.329 -2.977 -9.744
123 HG2 GLU 17 2HG GLU 17 -8.728 -1.160 -9.459
124 HG3 GLU 17 1HG GLU 17 -8.177 -0.372 -10.937
125 H ASP 18 H ASP 18 -6.316 0.911 -10.970
126 HA ASP 18 HA ASP 18 -6.030 0.947 -13.686
127 HB2 ASP 18 2HB ASP 18 -6.512 2.843 -11.835
128 HB3 ASP 18 1HB ASP 18 -4.856 3.269 -12.254
129 H SER 19 H SER 19 -3.424 1.299 -11.272
130 HA SER 19 HA SER 19 -1.499 0.562 -13.362
131 HB2 SER 19 2HB SER 19 -1.367 2.993 -11.590
132 HB3 SER 19 1HB SER 19 0.088 2.287 -12.293
133 HG SER 19 HG SER 19 -1.545 3.976 -13.432
134 H GLU 20 H GLU 20 -2.720 -0.804 -10.951
135 HA GLU 20 HA GLU 20 -2.127 -2.079 -9.161
136 HB2 GLU 20 2HB GLU 20 -0.769 -2.903 -11.338
137 HB3 GLU 20 1HB GLU 20 0.580 -2.569 -10.261
138 HG2 GLU 20 2HG GLU 20 -0.306 -4.091 -8.614
139 HG3 GLU 20 1HG GLU 20 -1.747 -4.355 -9.588
140 H THR 21 H THR 21 -1.953 0.263 -8.155
141 HA THR 21 HA THR 21 0.559 0.296 -6.630
142 HB THR 21 HB THR 21 -0.743 2.796 -7.736
143 HG1 THR 21 1HG THR 21 0.206 1.795 -9.451
144 HG21 THR 21 3HG2 THR 21 0.756 4.034 -6.647
145 HG22 THR 21 1HG2 THR 21 2.062 2.884 -6.931
146 HG23 THR 21 2HG2 THR 21 0.933 2.625 -5.602
147 H TYR 22 H TYR 22 0.362 0.948 -4.483
148 HA TYR 22 HA TYR 22 -2.408 1.242 -3.519
149 HB2 TYR 22 2HB TYR 22 0.054 0.351 -1.997
150 HB3 TYR 22 1HB TYR 22 -1.578 0.443 -1.346
151 HD1 TYR 22 2HD TYR 22 0.479 -1.265 -3.929
152 HD2 TYR 22 1HD TYR 22 -3.041 -1.382 -1.538
153 HE1 TYR 22 2HE TYR 22 0.073 -3.576 -4.652
154 HE2 TYR 22 1HE TYR 22 -3.455 -3.697 -2.254
155 HH TYR 22 HH TYR 22 -2.122 -5.623 -3.133
156 H PHE 23 H PHE 23 -2.999 2.919 -2.183
157 HA PHE 23 HA PHE 23 -0.946 4.970 -1.660
158 HB2 PHE 23 2HB PHE 23 -3.830 5.451 -2.448
159 HB3 PHE 23 1HB PHE 23 -2.655 6.700 -2.051
160 HD1 PHE 23 2HD PHE 23 -3.599 4.139 -4.518
161 HD2 PHE 23 1HD PHE 23 -1.013 7.404 -3.632
162 HE1 PHE 23 2HE PHE 23 -2.895 4.217 -6.872
163 HE2 PHE 23 1HE PHE 23 -0.307 7.487 -5.987
164 HZ PHE 23 HZ PHE 23 -1.247 5.892 -7.611
165 H TYR 24 H TYR 24 -1.467 6.456 0.137
166 HA TYR 24 HA TYR 24 -3.397 5.480 2.090
167 HB2 TYR 24 2HB TYR 24 -1.047 4.354 2.353
168 HB3 TYR 24 1HB TYR 24 -0.584 5.903 3.048
169 HD1 TYR 24 2HD TYR 24 -3.261 3.306 3.369
170 HD2 TYR 24 1HD TYR 24 -0.821 6.192 5.327
171 HE1 TYR 24 2HE TYR 24 -4.181 2.606 5.537
172 HE2 TYR 24 1HE TYR 24 -1.735 5.498 7.500
173 HH TYR 24 HH TYR 24 -4.116 4.304 8.199
174 HA PRO 25 HA PRO 25 -3.748 9.875 2.688
175 HB2 PRO 25 2HB PRO 25 -5.194 9.884 4.985
176 HB3 PRO 25 1HB PRO 25 -5.889 9.480 3.410
177 HG2 PRO 25 2HG PRO 25 -4.958 7.655 5.594
178 HG3 PRO 25 1HG PRO 25 -6.423 7.553 4.599
179 HD2 PRO 25 2HD PRO 25 -4.218 6.058 4.110
180 HD3 PRO 25 1HD PRO 25 -5.298 6.618 2.818
181 H CYS 26 H CYS 26 -2.246 11.236 3.419
182 HA CYS 26 HA CYS 26 -0.755 10.530 5.844
183 HB2 CYS 26 2HB CYS 26 0.275 11.137 3.470
184 HB3 CYS 26 1HB CYS 26 0.094 12.779 4.080
185 HA PRO 27 HA PRO 27 -2.674 13.643 8.321
186 HB2 PRO 27 2HB PRO 27 0.059 14.169 9.368
187 HB3 PRO 27 1HB PRO 27 -1.422 13.758 10.240
188 HG2 PRO 27 2HG PRO 27 0.503 11.952 9.909
189 HG3 PRO 27 1HG PRO 27 -1.206 11.489 9.805
190 HD2 PRO 27 2HD PRO 27 0.783 11.912 7.612
191 HD3 PRO 27 1HD PRO 27 -0.504 10.695 7.751
192 H CYS 28 H CYS 28 0.194 14.409 6.427
193 HA CYS 28 HA CYS 28 0.109 17.222 6.811
194 HB2 CYS 28 2HB CYS 28 1.683 17.346 4.963
195 HB3 CYS 28 1HB CYS 28 2.126 16.019 6.032
196 H GLY 29 H GLY 29 -1.325 15.053 4.408
197 HA2 GLY 29 2HA GLY 29 -3.599 16.181 3.754
198 HA3 GLY 29 1HA GLY 29 -2.511 17.335 2.998
199 H ASP 30 H ASP 30 -0.543 15.507 2.099
200 HA ASP 30 HA ASP 30 -1.789 14.600 -0.315
201 HB2 ASP 30 2HB ASP 30 0.721 15.430 0.315
202 HB3 ASP 30 1HB ASP 30 0.959 13.686 0.293
203 H ASN 31 H ASN 31 -0.761 12.253 -1.054
204 HA ASN 31 HA ASN 31 -1.446 10.337 1.071
205 HB2 ASN 31 2HB ASN 31 -2.382 10.225 -1.806
206 HB3 ASN 31 1HB ASN 31 -2.628 8.955 -0.613
207 HD21 ASN 31 1HD2 ASN 31 -4.391 9.036 0.627
208 HD22 ASN 31 2HD2 ASN 31 -5.479 10.375 0.721
209 H PHE 32 H PHE 32 -0.113 8.637 1.273
210 HA PHE 32 HA PHE 32 2.371 8.540 -0.063
211 HB2 PHE 32 2HB PHE 32 0.908 6.554 1.675
212 HB3 PHE 32 1HB PHE 32 2.494 6.210 1.001
213 HD1 PHE 32 1HD PHE 32 4.252 8.203 1.427
214 HD2 PHE 32 2HD PHE 32 0.838 7.339 3.819
215 HE1 PHE 32 1HE PHE 32 5.314 9.318 3.344
216 HE2 PHE 32 2HE PHE 32 1.895 8.456 5.738
217 HZ PHE 32 HZ PHE 32 4.138 9.447 5.502
218 H SER 33 H SER 33 3.202 6.649 -1.314
219 HA SER 33 HA SER 33 1.194 5.162 -2.807
220 HB2 SER 33 2HB SER 33 2.643 5.830 -4.942
221 HB3 SER 33 1HB SER 33 1.277 6.808 -4.410
222 HG SER 33 HG SER 33 4.036 7.267 -3.970
223 H ILE 34 H ILE 34 1.865 3.195 -3.516
224 HA ILE 34 HA ILE 34 4.685 2.526 -3.625
225 HB ILE 34 HB ILE 34 4.197 2.159 -1.256
226 HG12 ILE 34 2HG1 ILE 34 4.284 -0.643 -2.191
227 HG13 ILE 34 1HG1 ILE 34 5.472 0.432 -2.919
228 HG21 ILE 34 1HG2 ILE 34 1.691 1.511 -1.984
229 HG22 ILE 34 2HG2 ILE 34 2.399 1.080 -0.427
230 HG23 ILE 34 3HG2 ILE 34 2.365 -0.099 -1.738
231 HD11 ILE 34 3HD1 ILE 34 5.634 -0.866 -0.461
232 HD12 ILE 34 1HD1 ILE 34 5.371 0.836 -0.081
233 HD13 ILE 34 2HD1 ILE 34 6.726 0.361 -1.103
234 H THR 35 H THR 35 4.974 1.313 -5.383
235 HA THR 35 HA THR 35 2.771 0.215 -6.832
236 HB THR 35 HB THR 35 4.447 -0.572 -8.428
237 HG1 THR 35 1HG THR 35 6.455 0.393 -6.689
238 HG21 THR 35 3HG2 THR 35 3.854 1.876 -8.364
239 HG22 THR 35 1HG2 THR 35 5.385 1.461 -9.135
240 HG23 THR 35 2HG2 THR 35 5.372 2.126 -7.502
241 H LYS 36 H LYS 36 2.323 -1.962 -7.319
242 HA LYS 36 HA LYS 36 2.485 -3.755 -5.165
243 HB2 LYS 36 2HB LYS 36 0.737 -3.904 -6.872
244 HB3 LYS 36 1HB LYS 36 1.934 -4.337 -8.083
245 HG2 LYS 36 2HG LYS 36 1.254 -6.426 -7.592
246 HG3 LYS 36 1HG LYS 36 2.416 -6.262 -6.275
247 HD2 LYS 36 2HD LYS 36 0.676 -5.655 -4.738
248 HD3 LYS 36 1HD LYS 36 -0.513 -5.591 -6.040
249 HE2 LYS 36 2HE LYS 36 -0.081 -8.021 -6.443
250 HE3 LYS 36 1HE LYS 36 0.922 -8.025 -4.993
251 HZ1 LYS 36 3HZ LYS 36 -0.908 -7.638 -3.635
252 HZ2 LYS 36 1HZ LYS 36 -1.502 -8.737 -4.776
253 HZ3 LYS 36 2HZ LYS 36 -1.881 -7.094 -4.907
254 H GLU 37 H GLU 37 4.495 -3.372 -8.037
255 HA GLU 37 HA GLU 37 5.997 -5.735 -7.838
256 HB2 GLU 37 2HB GLU 37 5.917 -4.010 -9.747
257 HB3 GLU 37 1HB GLU 37 7.115 -3.116 -8.823
258 HG2 GLU 37 2HG GLU 37 8.439 -5.336 -8.836
259 HG3 GLU 37 1HG GLU 37 7.369 -5.775 -10.166
260 H ASP 38 H ASP 38 6.389 -2.569 -6.298
261 HA ASP 38 HA ASP 38 8.938 -2.891 -5.210
262 HB2 ASP 38 2HB ASP 38 6.543 -1.260 -4.486
263 HB3 ASP 38 1HB ASP 38 7.817 -1.415 -3.282
264 H LEU 39 H LEU 39 5.769 -3.770 -3.853
265 HA LEU 39 HA LEU 39 6.719 -4.783 -1.411
266 HB2 LEU 39 2HB LEU 39 4.260 -5.686 -2.910
267 HB3 LEU 39 1HB LEU 39 4.565 -5.870 -1.193
268 HG LEU 39 HG LEU 39 4.447 -3.142 -2.440
269 HD11 LEU 39 1HD1 LEU 39 2.121 -4.796 -1.478
270 HD12 LEU 39 2HD1 LEU 39 2.386 -4.175 -3.108
271 HD13 LEU 39 3HD1 LEU 39 2.064 -3.059 -1.782
272 HD21 LEU 39 3HD2 LEU 39 4.195 -2.363 -0.285
273 HD22 LEU 39 1HD2 LEU 39 5.281 -3.731 -0.044
274 HD23 LEU 39 2HD2 LEU 39 3.561 -3.898 0.311
275 H GLU 40 H GLU 40 6.056 -6.447 -4.497
276 HA GLU 40 HA GLU 40 6.660 -9.044 -3.616
277 HB2 GLU 40 2HB GLU 40 6.882 -7.804 -6.361
278 HB3 GLU 40 1HB GLU 40 7.085 -9.523 -6.047
279 HG2 GLU 40 2HG GLU 40 4.797 -9.606 -5.149
280 HG3 GLU 40 1HG GLU 40 4.601 -7.899 -5.543
281 H ASN 41 H ASN 41 8.749 -6.407 -4.614
282 HA ASN 41 HA ASN 41 11.097 -8.087 -4.777
283 HB2 ASN 41 2HB ASN 41 10.477 -5.224 -5.272
284 HB3 ASN 41 1HB ASN 41 12.132 -5.610 -4.816
285 HD21 ASN 41 1HD2 ASN 41 13.472 -6.349 -6.329
286 HD22 ASN 41 2HD2 ASN 41 13.007 -6.830 -7.922
287 H GLY 42 H GLY 42 9.693 -5.805 -2.451
288 HA2 GLY 42 2HA GLY 42 10.371 -6.651 -0.097
289 HA3 GLY 42 1HA GLY 42 11.982 -6.232 -0.657
290 H GLU 43 H GLU 43 10.382 -3.957 -2.192
291 HA GLU 43 HA GLU 43 10.977 -1.905 -0.313
292 HB2 GLU 43 2HB GLU 43 9.711 -1.957 -3.041
293 HB3 GLU 43 1HB GLU 43 9.710 -0.483 -2.087
294 HG2 GLU 43 2HG GLU 43 12.302 -1.077 -1.919
295 HG3 GLU 43 1HG GLU 43 11.934 -1.864 -3.454
296 H ASP 44 H ASP 44 9.649 -2.565 1.459
297 HA ASP 44 HA ASP 44 6.761 -2.204 1.152
298 HB2 ASP 44 2HB ASP 44 6.656 -3.091 3.492
299 HB3 ASP 44 1HB ASP 44 7.345 -4.205 2.321
300 H VAL 45 H VAL 45 8.272 0.108 0.854
301 HA VAL 45 HA VAL 45 7.479 1.627 3.243
302 HB VAL 45 HB VAL 45 9.911 1.374 3.304
303 HG11 VAL 45 1HG1 VAL 45 10.125 2.955 0.764
304 HG12 VAL 45 2HG1 VAL 45 10.071 1.192 0.747
305 HG13 VAL 45 3HG1 VAL 45 11.368 2.026 1.603
306 HG21 VAL 45 3HG2 VAL 45 10.376 3.555 3.864
307 HG22 VAL 45 1HG2 VAL 45 8.613 3.580 3.862
308 HG23 VAL 45 2HG2 VAL 45 9.506 4.213 2.478
309 H ALA 46 H ALA 46 6.445 3.531 2.885
310 HA ALA 46 HA ALA 46 6.077 4.330 0.070
311 HB1 ALA 46 1HB ALA 46 3.877 4.510 0.399
312 HB2 ALA 46 2HB ALA 46 4.087 5.367 1.925
313 HB3 ALA 46 3HB ALA 46 4.137 3.604 1.889
314 H THR 47 H THR 47 6.637 6.331 -0.532
315 HA THR 47 HA THR 47 7.492 8.206 1.574
316 HB THR 47 HB THR 47 8.438 8.331 -1.280
317 HG1 THR 47 1HG THR 47 9.374 6.485 -0.948
318 HG21 THR 47 3HG2 THR 47 9.181 10.224 -0.185
319 HG22 THR 47 1HG2 THR 47 10.541 9.114 -0.028
320 HG23 THR 47 2HG2 THR 47 9.448 9.367 1.333
321 H CYS 48 H CYS 48 6.594 10.179 1.686
322 HA CYS 48 HA CYS 48 4.387 10.789 -0.090
323 HB2 CYS 48 2HB CYS 48 4.753 11.233 2.561
324 HB3 CYS 48 1HB CYS 48 5.226 12.800 1.914
325 HA PRO 49 HA PRO 49 6.825 13.505 -2.632
326 HB2 PRO 49 2HB PRO 49 4.870 14.575 -4.119
327 HB3 PRO 49 1HB PRO 49 5.332 12.875 -4.274
328 HG2 PRO 49 2HG PRO 49 3.007 14.083 -2.834
329 HG3 PRO 49 1HG PRO 49 3.074 12.613 -3.820
330 HD2 PRO 49 2HD PRO 49 3.153 12.655 -1.062
331 HD3 PRO 49 1HD PRO 49 3.784 11.335 -2.068
332 H SER 50 H SER 50 4.947 14.560 -0.090
333 HA SER 50 HA SER 50 5.531 17.385 -0.675
334 HB2 SER 50 2HB SER 50 3.053 16.348 -0.212
335 HB3 SER 50 1HB SER 50 3.526 16.822 1.418
336 HG SER 50 HG SER 50 2.547 18.387 -0.371
337 H CYS 51 H CYS 51 4.908 15.341 2.210
338 HA CYS 51 HA CYS 51 6.783 16.930 3.748
339 HB2 CYS 51 2HB CYS 51 6.068 15.630 5.656
340 HB3 CYS 51 1HB CYS 51 4.654 16.141 4.740
341 H SER 52 H SER 52 6.859 13.978 1.964
342 HA SER 52 HA SER 52 8.503 12.475 1.532
343 HB2 SER 52 2HB SER 52 10.398 14.251 3.077
344 HB3 SER 52 1HB SER 52 10.790 13.107 1.793
345 HG SER 52 HG SER 52 10.687 14.891 0.641
346 H LEU 53 H LEU 53 6.851 12.068 3.769
347 HA LEU 53 HA LEU 53 8.490 11.126 5.961
348 HB2 LEU 53 2HB LEU 53 6.296 12.153 6.374
349 HB3 LEU 53 1HB LEU 53 5.520 10.890 5.442
350 HG LEU 53 HG LEU 53 6.283 9.229 7.134
351 HD11 LEU 53 1HD1 LEU 53 7.569 9.733 8.903
352 HD12 LEU 53 2HD1 LEU 53 6.802 11.302 9.147
353 HD13 LEU 53 3HD1 LEU 53 8.061 11.116 7.926
354 HD21 LEU 53 3HD2 LEU 53 4.809 11.210 8.739
355 HD22 LEU 53 1HD2 LEU 53 4.408 9.540 8.341
356 HD23 LEU 53 2HD2 LEU 53 4.111 10.820 7.166
357 H ILE 54 H ILE 54 8.379 8.889 6.730
358 HA ILE 54 HA ILE 54 8.154 6.982 4.491
359 HB ILE 54 HB ILE 54 9.740 5.549 5.823
360 HG12 ILE 54 2HG1 ILE 54 10.109 8.098 7.420
361 HG13 ILE 54 1HG1 ILE 54 9.382 6.612 8.020
362 HG21 ILE 54 1HG2 ILE 54 11.685 6.617 5.010
363 HG22 ILE 54 2HG2 ILE 54 10.946 8.215 5.122
364 HG23 ILE 54 3HG2 ILE 54 10.384 7.065 3.907
365 HD11 ILE 54 3HD1 ILE 54 11.837 7.140 8.591
366 HD12 ILE 54 1HD1 ILE 54 12.170 6.607 6.943
367 HD13 ILE 54 2HD1 ILE 54 11.410 5.504 8.089
368 H ILE 55 H ILE 55 7.051 5.051 4.794
369 HA ILE 55 HA ILE 55 5.922 4.462 7.423
370 HB ILE 55 HB ILE 55 3.654 4.082 6.453
371 HG12 ILE 55 2HG1 ILE 55 4.225 5.934 4.208
372 HG13 ILE 55 1HG1 ILE 55 4.809 4.284 4.023
373 HG21 ILE 55 1HG2 ILE 55 4.682 6.913 6.346
374 HG22 ILE 55 2HG2 ILE 55 4.100 6.059 7.775
375 HG23 ILE 55 3HG2 ILE 55 2.986 6.444 6.463
376 HD11 ILE 55 3HD1 ILE 55 2.061 4.412 4.967
377 HD12 ILE 55 1HD1 ILE 55 2.765 3.497 3.636
378 HD13 ILE 55 2HD1 ILE 55 2.299 5.180 3.398
379 H LYS 56 H LYS 56 5.428 2.288 7.757
380 HA LYS 56 HA LYS 56 6.595 0.478 5.789
381 HB2 LYS 56 2HB LYS 56 7.226 0.325 8.204
382 HB3 LYS 56 1HB LYS 56 5.572 -0.148 8.565
383 HG2 LYS 56 2HG LYS 56 6.457 -2.217 8.421
384 HG3 LYS 56 1HG LYS 56 6.140 -1.983 6.702
385 HD2 LYS 56 2HD LYS 56 8.398 -1.422 6.265
386 HD3 LYS 56 1HD LYS 56 8.759 -1.235 7.982
387 HE2 LYS 56 2HE LYS 56 7.808 -3.872 6.945
388 HE3 LYS 56 1HE LYS 56 9.489 -3.396 6.705
389 HZ1 LYS 56 3HZ LYS 56 9.291 -4.661 8.719
390 HZ2 LYS 56 1HZ LYS 56 8.076 -3.641 9.309
391 HZ3 LYS 56 2HZ LYS 56 9.655 -3.061 9.127
392 H VAL 57 H VAL 57 5.582 -0.959 4.627
393 HA VAL 57 HA VAL 57 2.654 -1.056 4.833
394 HB VAL 57 HB VAL 57 3.986 -2.083 2.381
395 HG11 VAL 57 1HG1 VAL 57 2.062 -0.827 1.373
396 HG12 VAL 57 2HG1 VAL 57 1.558 -0.429 3.015
397 HG13 VAL 57 3HG1 VAL 57 1.609 -2.112 2.493
398 HG21 VAL 57 3HG2 VAL 57 5.279 -0.023 2.881
399 HG22 VAL 57 1HG2 VAL 57 3.769 0.887 2.895
400 HG23 VAL 57 2HG2 VAL 57 4.315 0.106 1.413
401 H ILE 58 H ILE 58 1.930 -2.827 5.816
402 HA ILE 58 HA ILE 58 3.511 -5.285 5.760
403 HB ILE 58 HB ILE 58 0.948 -4.786 7.275
404 HG12 ILE 58 2HG1 ILE 58 2.666 -3.134 7.924
405 HG13 ILE 58 1HG1 ILE 58 2.320 -4.267 9.226
406 HG21 ILE 58 1HG2 ILE 58 2.141 -6.589 8.751
407 HG22 ILE 58 2HG2 ILE 58 2.993 -6.954 7.251
408 HG23 ILE 58 3HG2 ILE 58 1.234 -7.062 7.316
409 HD11 ILE 58 3HD1 ILE 58 4.732 -3.700 8.900
410 HD12 ILE 58 1HD1 ILE 58 4.659 -4.561 7.363
411 HD13 ILE 58 2HD1 ILE 58 4.358 -5.423 8.870
412 H TYR 59 H TYR 59 2.920 -7.109 4.700
413 HA TYR 59 HA TYR 59 0.230 -7.486 3.695
414 HB2 TYR 59 2HB TYR 59 1.050 -7.762 1.321
415 HB3 TYR 59 1HB TYR 59 1.058 -6.103 1.915
416 HD1 TYR 59 1HD TYR 59 3.233 -5.075 2.636
417 HD2 TYR 59 2HD TYR 59 3.049 -8.815 0.604
418 HE1 TYR 59 1HE TYR 59 5.621 -4.879 2.081
419 HE2 TYR 59 2HE TYR 59 5.434 -8.629 0.042
420 HH TYR 59 HH TYR 59 7.517 -7.202 1.323
421 H ASP 60 H ASP 60 0.095 -9.609 2.425
422 HA ASP 60 HA ASP 60 1.612 -11.600 3.889
423 HB2 ASP 60 2HB ASP 60 -0.885 -11.763 3.458
424 HB3 ASP 60 1HB ASP 60 -0.490 -12.116 1.780
425 H LYS 61 H LYS 61 3.663 -11.690 3.121
426 HA LYS 61 HA LYS 61 4.475 -11.447 0.457
427 HB2 LYS 61 2HB LYS 61 5.718 -12.680 2.891
428 HB3 LYS 61 1HB LYS 61 6.500 -12.846 1.325
429 HG2 LYS 61 2HG LYS 61 5.676 -10.119 2.125
430 HG3 LYS 61 1HG LYS 61 7.021 -10.846 3.006
431 HD2 LYS 61 2HD LYS 61 7.060 -11.047 0.044
432 HD3 LYS 61 1HD LYS 61 7.366 -9.460 0.752
433 HE2 LYS 61 2HE LYS 61 9.478 -10.496 0.486
434 HE3 LYS 61 1HE LYS 61 9.100 -10.564 2.206
435 HZ1 LYS 61 3HZ LYS 61 8.681 -12.830 2.105
436 HZ2 LYS 61 1HZ LYS 61 10.012 -12.654 1.075
437 HZ3 LYS 61 2HZ LYS 61 8.461 -12.835 0.427
438 H ASP 62 H ASP 62 3.220 -14.198 2.221
439 HA ASP 62 HA ASP 62 4.060 -16.236 0.454
440 HB2 ASP 62 2HB ASP 62 2.995 -16.375 2.849
441 HB3 ASP 62 1HB ASP 62 1.472 -16.414 1.965
442 H GLN 63 H GLN 63 1.254 -14.089 0.495
443 HA GLN 63 HA GLN 63 -0.035 -15.418 -1.716
444 HB2 GLN 63 2HB GLN 63 -0.603 -13.058 -0.003
445 HB3 GLN 63 1HB GLN 63 -1.322 -13.065 -1.607
446 HG2 GLN 63 2HG GLN 63 -1.907 -15.577 -0.728
447 HG3 GLN 63 1HG GLN 63 -1.982 -14.644 0.763
448 HE21 GLN 63 1HE2 GLN 63 -3.087 -14.538 -2.607
449 HE22 GLN 63 2HE2 GLN 63 -4.631 -13.850 -2.256
450 H PHE 64 H PHE 64 1.984 -12.544 -1.264
451 HA PHE 64 HA PHE 64 1.676 -11.450 -3.832
452 HB2 PHE 64 2HB PHE 64 3.689 -11.164 -1.652
453 HB3 PHE 64 1HB PHE 64 4.131 -10.584 -3.256
454 HD1 PHE 64 2HD PHE 64 1.231 -10.400 -0.904
455 HD2 PHE 64 1HD PHE 64 3.690 -8.381 -3.732
456 HE1 PHE 64 2HE PHE 64 -0.011 -8.319 -0.493
457 HE2 PHE 64 1HE PHE 64 2.450 -6.297 -3.326
458 HZ PHE 64 HZ PHE 64 0.596 -6.263 -1.704
459 H VAL 65 H VAL 65 4.429 -13.392 -2.600
460 HA VAL 65 HA VAL 65 4.945 -14.200 -5.384
461 HB VAL 65 HB VAL 65 6.795 -12.939 -4.431
462 HG11 VAL 65 1HG1 VAL 65 7.565 -13.161 -2.358
463 HG12 VAL 65 2HG1 VAL 65 7.738 -14.907 -2.528
464 HG13 VAL 65 3HG1 VAL 65 6.187 -14.217 -2.054
465 HG21 VAL 65 3HG2 VAL 65 8.460 -14.274 -5.260
466 HG22 VAL 65 1HG2 VAL 65 7.043 -15.108 -5.901
467 HG23 VAL 65 2HG2 VAL 65 7.850 -15.723 -4.458
468 H SER 66 H SER 66 3.695 -16.002 -5.542
469 HA SER 66 HA SER 66 3.959 -18.116 -3.537
470 HB2 SER 66 2HB SER 66 1.958 -17.404 -5.609
471 HB3 SER 66 1HB SER 66 2.184 -19.125 -5.304
472 HG SER 66 HG SER 66 0.750 -17.462 -3.899
473 H GLY 67 H GLY 67 6.083 -18.820 -4.035
474 HA2 GLY 67 2HA GLY 67 6.944 -19.563 -6.624
475 HA3 GLY 67 1HA GLY 67 7.671 -20.087 -5.113
476 H GLU 68 H GLU 68 5.602 -21.507 -3.960
477 HA GLU 68 HA GLU 68 5.156 -23.678 -5.902
478 HB2 GLU 68 2HB GLU 68 6.147 -23.721 -3.091
479 HB3 GLU 68 1HB GLU 68 5.117 -25.048 -3.611
480 HG2 GLU 68 2HG GLU 68 6.865 -24.934 -5.671
481 HG3 GLU 68 1HG GLU 68 7.888 -24.401 -4.339
482 H THR 69 H THR 69 3.101 -22.778 -6.420
483 HA THR 69 HA THR 69 1.054 -23.296 -4.368
484 HB THR 69 HB THR 69 1.374 -20.870 -4.665
485 HG1 THR 69 1HG THR 69 -0.743 -20.450 -4.737
486 HG21 THR 69 3HG2 THR 69 2.094 -20.735 -6.962
487 HG22 THR 69 1HG2 THR 69 0.632 -19.774 -6.728
488 HG23 THR 69 2HG2 THR 69 0.535 -21.349 -7.515
489 H VAL 70 H VAL 70 -1.114 -23.752 -5.260
490 HA VAL 70 HA VAL 70 -0.900 -25.265 -7.775
491 HB VAL 70 HB VAL 70 -3.005 -25.612 -5.638
492 HG11 VAL 70 1HG1 VAL 70 -2.150 -27.341 -7.954
493 HG12 VAL 70 2HG1 VAL 70 -3.676 -26.472 -7.787
494 HG13 VAL 70 3HG1 VAL 70 -3.306 -27.819 -6.711
495 HG21 VAL 70 3HG2 VAL 70 -1.247 -26.329 -4.399
496 HG22 VAL 70 1HG2 VAL 70 -0.243 -26.657 -5.810
497 HG23 VAL 70 2HG2 VAL 70 -1.498 -27.801 -5.336
498 HA PRO 71 HA PRO 71 -3.551 -22.403 -9.885
499 HB2 PRO 71 2HB PRO 71 -4.628 -24.831 -11.226
500 HB3 PRO 71 1HB PRO 71 -3.942 -23.364 -11.932
501 HG2 PRO 71 2HG PRO 71 -2.551 -25.635 -11.897
502 HG3 PRO 71 1HG PRO 71 -1.759 -24.074 -11.614
503 HD2 PRO 71 2HD PRO 71 -2.526 -26.194 -9.653
504 HD3 PRO 71 1HD PRO 71 -1.086 -25.156 -9.687
505 H ALA 72 H ALA 72 -5.337 -21.505 -9.107
506 HA ALA 72 HA ALA 72 -7.474 -21.188 -8.397
507 HB1 ALA 72 1HB ALA 72 -8.215 -24.053 -8.710
508 HB2 ALA 72 2HB ALA 72 -7.851 -23.108 -10.155
509 HB3 ALA 72 3HB ALA 72 -9.144 -22.597 -9.071
510 HA PRO 73 HA PRO 73 -7.391 -22.305 -4.126
511 HB2 PRO 73 2HB PRO 73 -9.962 -21.990 -3.368
512 HB3 PRO 73 1HB PRO 73 -8.931 -20.621 -3.801
513 HG2 PRO 73 2HG PRO 73 -10.987 -22.041 -5.454
514 HG3 PRO 73 1HG PRO 73 -10.700 -20.299 -5.282
515 HD2 PRO 73 2HD PRO 73 -9.795 -21.739 -7.399
516 HD3 PRO 73 1HD PRO 73 -8.940 -20.316 -6.770
517 H SER 74 H SER 74 -8.227 -23.785 -2.477
518 HA SER 74 HA SER 74 -9.760 -26.066 -3.435
519 HB2 SER 74 2HB SER 74 -6.982 -26.400 -2.278
520 HB3 SER 74 1HB SER 74 -8.073 -27.700 -2.749
521 HG SER 74 HG SER 74 -7.992 -26.613 -4.907
522 H ALA 75 H ALA 75 -7.714 -25.080 -0.672
523 HA ALA 75 HA ALA 75 -9.759 -26.095 1.163
524 HB1 ALA 75 1HB ALA 75 -7.785 -25.405 2.819
525 HB2 ALA 75 2HB ALA 75 -6.839 -25.613 1.346
526 HB3 ALA 75 3HB ALA 75 -7.811 -26.948 1.966
527 H ASN 76 H ASN 76 -9.951 -24.764 3.263
528 HA ASN 76 HA ASN 76 -9.799 -21.886 2.824
529 HB2 ASN 76 2HB ASN 76 -12.337 -23.446 3.024
530 HB3 ASN 76 1HB ASN 76 -12.270 -21.873 3.814
531 HD21 ASN 76 1HD2 ASN 76 -11.245 -20.131 2.350
532 HD22 ASN 76 2HD2 ASN 76 -11.845 -20.086 0.731
533 H LYS 77 H LYS 77 -8.326 -23.591 4.560
534 HA LYS 77 HA LYS 77 -9.134 -22.454 7.142
535 HB2 LYS 77 2HB LYS 77 -8.472 -25.334 6.564
536 HB3 LYS 77 1HB LYS 77 -8.238 -24.654 8.166
537 HG2 LYS 77 2HG LYS 77 -10.885 -24.266 6.887
538 HG3 LYS 77 1HG LYS 77 -10.471 -25.882 7.461
539 HD2 LYS 77 2HD LYS 77 -11.452 -25.001 9.342
540 HD3 LYS 77 1HD LYS 77 -9.760 -24.592 9.634
541 HE2 LYS 77 2HE LYS 77 -10.086 -22.347 8.988
542 HE3 LYS 77 1HE LYS 77 -11.651 -22.702 8.259
543 HZ1 LYS 77 3HZ LYS 77 -12.165 -23.425 10.737
544 HZ2 LYS 77 1HZ LYS 77 -12.346 -21.826 10.214
545 HZ3 LYS 77 2HZ LYS 77 -10.960 -22.285 11.065
546 H GLU 78 H GLU 78 -7.162 -21.509 5.285
547 HA GLU 78 HA GLU 78 -4.556 -22.345 6.047
548 HB2 GLU 78 2HB GLU 78 -5.510 -20.869 3.996
549 HB3 GLU 78 1HB GLU 78 -4.915 -19.582 5.033
550 HG2 GLU 78 2HG GLU 78 -2.763 -20.084 4.646
551 HG3 GLU 78 1HG GLU 78 -3.055 -21.823 4.656
552 H LEU 79 H LEU 79 -4.306 -22.303 8.257
553 HA LEU 79 HA LEU 79 -4.382 -19.657 9.537
554 HB2 LEU 79 2HB LEU 79 -5.993 -21.751 10.161
555 HB3 LEU 79 1HB LEU 79 -4.647 -22.064 11.235
556 HG LEU 79 HG LEU 79 -5.083 -19.420 11.724
557 HD11 LEU 79 1HD1 LEU 79 -7.869 -20.335 11.821
558 HD12 LEU 79 2HD1 LEU 79 -7.252 -20.019 10.200
559 HD13 LEU 79 3HD1 LEU 79 -7.204 -18.751 11.425
560 HD21 LEU 79 3HD2 LEU 79 -6.461 -20.320 13.697
561 HD22 LEU 79 1HD2 LEU 79 -4.801 -20.885 13.515
562 HD23 LEU 79 2HD2 LEU 79 -6.143 -21.912 13.011
563 H VAL 80 H VAL 80 -3.237 -21.009 11.981
564 HA VAL 80 HA VAL 80 -0.446 -20.876 11.136
565 HB VAL 80 HB VAL 80 -1.495 -21.017 13.968
566 HG11 VAL 80 1HG1 VAL 80 1.026 -21.426 13.154
567 HG12 VAL 80 2HG1 VAL 80 0.621 -20.651 14.685
568 HG13 VAL 80 3HG1 VAL 80 1.044 -19.667 13.285
569 HG21 VAL 80 3HG2 VAL 80 -1.148 -18.682 12.128
570 HG22 VAL 80 1HG2 VAL 80 -0.914 -18.486 13.866
571 HG23 VAL 80 2HG2 VAL 80 -2.467 -19.044 13.242
572 H LYS 81 H LYS 81 0.215 -22.810 10.370
573 HA LYS 81 HA LYS 81 0.841 -24.988 10.297
574 HB2 LYS 81 2HB LYS 81 1.780 -24.262 12.576
575 HB3 LYS 81 1HB LYS 81 0.423 -25.130 13.278
576 HG2 LYS 81 2HG LYS 81 1.232 -27.188 12.644
577 HG3 LYS 81 1HG LYS 81 2.188 -26.523 11.318
578 HD2 LYS 81 2HD LYS 81 3.678 -25.461 13.013
579 HD3 LYS 81 1HD LYS 81 2.775 -26.307 14.270
580 HE2 LYS 81 2HE LYS 81 4.120 -27.728 11.979
581 HE3 LYS 81 1HE LYS 81 4.935 -27.392 13.506
582 HZ1 LYS 81 3HZ LYS 81 2.412 -28.942 13.260
583 HZ2 LYS 81 1HZ LYS 81 3.321 -28.708 14.668
584 HZ3 LYS 81 2HZ LYS 81 3.950 -29.632 13.398
585 H LEU 82 H LEU 82 -1.162 -25.412 9.146
586 HA LEU 82 HA LEU 82 -2.873 -27.285 10.627
587 HB2 LEU 82 2HB LEU 82 -3.790 -24.821 10.065
588 HB3 LEU 82 1HB LEU 82 -4.196 -25.620 8.559
589 HG LEU 82 HG LEU 82 -5.250 -27.415 10.219
590 HD11 LEU 82 1HD1 LEU 82 -6.366 -26.160 12.085
591 HD12 LEU 82 2HD1 LEU 82 -5.233 -24.843 11.782
592 HD13 LEU 82 3HD1 LEU 82 -4.634 -26.423 12.286
593 HD21 LEU 82 3HD2 LEU 82 -7.374 -26.431 9.809
594 HD22 LEU 82 1HD2 LEU 82 -6.355 -26.062 8.418
595 HD23 LEU 82 2HD2 LEU 82 -6.667 -24.825 9.637
596 H GLU 83 H GLU 83 -3.986 -28.839 9.281
597 HA GLU 83 HA GLU 83 -4.221 -30.313 7.568
598 HB2 GLU 83 2HB GLU 83 -4.007 -27.981 6.223
599 HB3 GLU 83 1HB GLU 83 -2.581 -28.810 5.614
600 HG2 GLU 83 2HG GLU 83 -3.946 -30.670 4.869
601 HG3 GLU 83 1HG GLU 83 -5.386 -29.902 5.536
602 H HIS 84 H HIS 84 -0.985 -28.862 7.048
603 HA HIS 84 HA HIS 84 0.271 -31.335 6.494
604 HB2 HIS 84 2HB HIS 84 1.157 -29.146 5.756
605 HB3 HIS 84 1HB HIS 84 1.511 -28.733 7.427
606 HD1 HIS 84 1HD HIS 84 3.019 -30.179 4.486
607 HD2 HIS 84 2HD HIS 84 3.520 -30.587 8.592
608 HE1 HIS 84 1HE HIS 84 5.299 -31.196 4.788
609 HE2 HIS 84 2HE HIS 84 5.587 -31.419 7.281
Start of MODEL 7
1 H1 MET 1 1HT MET 1 15.690 1.192 17.725
2 H2 MET 1 2HT MET 1 14.171 1.395 16.955
3 H3 MET 1 3HT MET 1 15.483 2.425 16.553
4 HA MET 1 HA MET 1 16.683 0.335 15.887
5 HB2 MET 1 2HB MET 1 14.537 -0.875 16.990
6 HB3 MET 1 1HB MET 1 14.000 -0.802 15.317
7 HG2 MET 1 2HG MET 1 15.968 -2.009 14.598
8 HG3 MET 1 1HG MET 1 16.597 -2.014 16.245
9 HE1 MET 1 2HE MET 1 14.510 -3.096 18.284
10 HE2 MET 1 3HE MET 1 16.169 -3.579 17.932
11 HE3 MET 1 1HE MET 1 14.896 -4.795 18.014
12 H ALA 2 H ALA 2 13.598 1.858 14.957
13 HA ALA 2 HA ALA 2 14.755 2.402 12.311
14 HB1 ALA 2 1HB ALA 2 12.951 0.439 12.548
15 HB2 ALA 2 2HB ALA 2 13.063 1.472 11.124
16 HB3 ALA 2 3HB ALA 2 11.855 1.809 12.363
17 H VAL 3 H VAL 3 13.920 4.258 11.233
18 HA VAL 3 HA VAL 3 12.704 6.202 13.074
19 HB VAL 3 HB VAL 3 13.523 7.937 11.455
20 HG11 VAL 3 1HG1 VAL 3 15.441 6.118 12.874
21 HG12 VAL 3 2HG1 VAL 3 14.802 7.676 13.397
22 HG13 VAL 3 3HG1 VAL 3 15.971 7.601 12.080
23 HG21 VAL 3 3HG2 VAL 3 15.147 7.378 9.785
24 HG22 VAL 3 1HG2 VAL 3 13.708 6.397 9.503
25 HG23 VAL 3 2HG2 VAL 3 15.130 5.681 10.264
26 H PHE 4 H PHE 4 11.146 4.196 11.625
27 HA PHE 4 HA PHE 4 9.807 5.467 9.433
28 HB2 PHE 4 2HB PHE 4 9.432 2.947 11.001
29 HB3 PHE 4 1HB PHE 4 8.099 3.531 10.014
30 HD1 PHE 4 2HD PHE 4 11.780 3.523 9.375
31 HD2 PHE 4 1HD PHE 4 7.933 2.118 8.217
32 HE1 PHE 4 2HE PHE 4 12.774 2.431 7.405
33 HE2 PHE 4 1HE PHE 4 8.919 1.023 6.253
34 HZ PHE 4 HZ PHE 4 11.342 1.176 5.841
35 H HIS 5 H HIS 5 7.302 5.547 9.538
36 HA HIS 5 HA HIS 5 6.611 7.272 11.795
37 HB2 HIS 5 2HB HIS 5 6.232 7.958 9.366
38 HB3 HIS 5 1HB HIS 5 4.944 6.761 9.328
39 HD1 HIS 5 1HD HIS 5 2.756 7.334 10.533
40 HD2 HIS 5 2HD HIS 5 5.689 10.251 10.916
41 HE1 HIS 5 1HE HIS 5 1.584 9.345 11.483
42 HE2 HIS 5 2HE HIS 5 3.407 11.050 11.825
43 H ASP 6 H ASP 6 4.843 4.812 9.889
44 HA ASP 6 HA ASP 6 4.136 3.301 12.220
45 HB2 ASP 6 2HB ASP 6 2.246 5.304 11.118
46 HB3 ASP 6 1HB ASP 6 1.570 3.715 11.458
47 H GLU 7 H GLU 7 3.541 1.236 11.691
48 HA GLU 7 HA GLU 7 3.609 0.541 8.859
49 HB2 GLU 7 2HB GLU 7 3.404 -1.369 11.190
50 HB3 GLU 7 1HB GLU 7 3.936 -1.722 9.554
51 HG2 GLU 7 2HG GLU 7 6.002 -1.504 10.336
52 HG3 GLU 7 1HG GLU 7 5.693 0.231 10.363
53 H VAL 8 H VAL 8 1.891 -0.159 7.697
54 HA VAL 8 HA VAL 8 -0.603 -0.797 9.114
55 HB VAL 8 HB VAL 8 -0.543 0.994 6.683
56 HG11 VAL 8 1HG1 VAL 8 -2.797 0.587 8.624
57 HG12 VAL 8 2HG1 VAL 8 -2.575 -0.454 7.219
58 HG13 VAL 8 3HG1 VAL 8 -2.850 1.273 7.002
59 HG21 VAL 8 3HG2 VAL 8 -1.057 1.855 9.524
60 HG22 VAL 8 1HG2 VAL 8 -0.935 2.875 8.092
61 HG23 VAL 8 2HG2 VAL 8 0.495 2.051 8.712
62 H GLU 9 H GLU 9 -1.886 -2.323 8.163
63 HA GLU 9 HA GLU 9 -0.689 -4.117 6.329
64 HB2 GLU 9 2HB GLU 9 -3.487 -3.893 7.430
65 HB3 GLU 9 1HB GLU 9 -3.023 -5.151 6.293
66 HG2 GLU 9 2HG GLU 9 -1.774 -6.275 7.821
67 HG3 GLU 9 1HG GLU 9 -1.354 -4.815 8.719
68 H ILE 10 H ILE 10 -1.010 -4.469 4.190
69 HA ILE 10 HA ILE 10 -1.614 -2.350 2.497
70 HB ILE 10 HB ILE 10 -0.272 -4.337 1.869
71 HG12 ILE 10 2HG1 ILE 10 -1.768 -4.604 -0.416
72 HG13 ILE 10 1HG1 ILE 10 -2.352 -3.074 0.228
73 HG21 ILE 10 1HG2 ILE 10 -2.960 -5.691 1.717
74 HG22 ILE 10 2HG2 ILE 10 -1.599 -6.121 2.753
75 HG23 ILE 10 3HG2 ILE 10 -1.480 -6.336 1.007
76 HD11 ILE 10 3HD1 ILE 10 -0.217 -3.317 -1.374
77 HD12 ILE 10 1HD1 ILE 10 0.566 -3.405 0.204
78 HD13 ILE 10 2HD1 ILE 10 -0.430 -2.009 -0.210
79 H GLU 11 H GLU 11 -3.750 -4.714 3.929
80 HA GLU 11 HA GLU 11 -5.938 -4.537 2.189
81 HB2 GLU 11 2HB GLU 11 -5.965 -4.937 5.187
82 HB3 GLU 11 1HB GLU 11 -7.289 -5.303 4.092
83 HG2 GLU 11 2HG GLU 11 -6.219 -7.144 3.199
84 HG3 GLU 11 1HG GLU 11 -4.621 -6.577 3.681
85 H ASP 12 H ASP 12 -4.831 -2.406 4.749
86 HA ASP 12 HA ASP 12 -7.198 -0.803 4.847
87 HB2 ASP 12 2HB ASP 12 -5.106 -1.088 6.522
88 HB3 ASP 12 1HB ASP 12 -4.602 0.374 5.678
89 H PHE 13 H PHE 13 -4.285 -0.801 2.920
90 HA PHE 13 HA PHE 13 -4.392 1.863 1.972
91 HB2 PHE 13 2HB PHE 13 -3.076 -0.660 1.008
92 HB3 PHE 13 1HB PHE 13 -3.063 0.780 -0.001
93 HD1 PHE 13 2HD PHE 13 -2.401 -0.086 3.582
94 HD2 PHE 13 1HD PHE 13 -1.182 2.059 0.114
95 HE1 PHE 13 2HE PHE 13 -0.425 0.741 4.791
96 HE2 PHE 13 1HE PHE 13 0.795 2.886 1.313
97 HZ PHE 13 HZ PHE 13 1.178 2.228 3.656
98 H GLN 14 H GLN 14 -4.660 2.319 -0.462
99 HA GLN 14 HA GLN 14 -7.222 1.154 -1.316
100 HB2 GLN 14 2HB GLN 14 -7.022 3.660 -0.901
101 HB3 GLN 14 1HB GLN 14 -5.998 3.721 -2.330
102 HG2 GLN 14 2HG GLN 14 -7.796 2.917 -3.716
103 HG3 GLN 14 1HG GLN 14 -8.826 2.689 -2.304
104 HE21 GLN 14 1HE2 GLN 14 -9.973 4.378 -1.530
105 HE22 GLN 14 2HE2 GLN 14 -9.938 5.969 -2.201
106 H TYR 15 H TYR 15 -6.948 -0.448 -2.743
107 HA TYR 15 HA TYR 15 -4.655 -0.756 -4.379
108 HB2 TYR 15 2HB TYR 15 -6.011 -2.673 -3.687
109 HB3 TYR 15 1HB TYR 15 -7.380 -2.058 -4.603
110 HD1 TYR 15 2HD TYR 15 -3.872 -3.252 -5.015
111 HD2 TYR 15 1HD TYR 15 -7.681 -2.706 -6.831
112 HE1 TYR 15 2HE TYR 15 -3.107 -4.515 -6.977
113 HE2 TYR 15 1HE TYR 15 -6.925 -3.970 -8.800
114 HH TYR 15 HH TYR 15 -3.956 -5.725 -8.843
115 H ASP 16 H ASP 16 -4.152 0.565 -5.997
116 HA ASP 16 HA ASP 16 -6.227 1.933 -7.507
117 HB2 ASP 16 2HB ASP 16 -3.950 2.915 -6.647
118 HB3 ASP 16 1HB ASP 16 -3.296 2.180 -8.104
119 H GLU 17 H GLU 17 -7.183 0.434 -8.822
120 HA GLU 17 HA GLU 17 -5.898 -1.587 -10.276
121 HB2 GLU 17 2HB GLU 17 -7.969 -1.401 -11.797
122 HB3 GLU 17 1HB GLU 17 -8.209 -1.847 -10.114
123 HG2 GLU 17 2HG GLU 17 -9.380 0.010 -9.655
124 HG3 GLU 17 1HG GLU 17 -8.339 1.035 -10.644
125 H ASP 18 H ASP 18 -6.190 1.809 -10.909
126 HA ASP 18 HA ASP 18 -5.945 2.026 -13.627
127 HB2 ASP 18 2HB ASP 18 -5.949 3.821 -11.652
128 HB3 ASP 18 1HB ASP 18 -4.220 3.820 -11.987
129 H SER 19 H SER 19 -3.224 1.711 -11.317
130 HA SER 19 HA SER 19 -1.650 0.461 -13.446
131 HB2 SER 19 2HB SER 19 -0.546 2.732 -11.778
132 HB3 SER 19 1HB SER 19 0.276 1.880 -13.084
133 HG SER 19 HG SER 19 -1.427 3.975 -13.212
134 H GLU 20 H GLU 20 -2.932 -0.487 -10.941
135 HA GLU 20 HA GLU 20 -2.511 -1.797 -9.126
136 HB2 GLU 20 2HB GLU 20 0.104 -2.463 -10.467
137 HB3 GLU 20 1HB GLU 20 -0.858 -3.480 -9.405
138 HG2 GLU 20 2HG GLU 20 -2.410 -2.704 -11.689
139 HG3 GLU 20 1HG GLU 20 -0.874 -3.395 -12.206
140 H THR 21 H THR 21 -2.212 0.381 -8.017
141 HA THR 21 HA THR 21 0.363 0.331 -6.607
142 HB THR 21 HB THR 21 -0.954 2.894 -7.539
143 HG1 THR 21 1HG THR 21 1.161 1.384 -8.646
144 HG21 THR 21 3HG2 THR 21 1.857 2.562 -6.559
145 HG22 THR 21 1HG2 THR 21 0.522 2.951 -5.475
146 HG23 THR 21 2HG2 THR 21 0.936 4.047 -6.793
147 H TYR 22 H TYR 22 0.280 1.095 -4.436
148 HA TYR 22 HA TYR 22 -2.459 1.327 -3.364
149 HB2 TYR 22 2HB TYR 22 -0.011 0.284 -1.923
150 HB3 TYR 22 1HB TYR 22 -1.654 0.326 -1.296
151 HD1 TYR 22 2HD TYR 22 0.494 -1.210 -3.899
152 HD2 TYR 22 1HD TYR 22 -3.161 -1.440 -1.731
153 HE1 TYR 22 2HE TYR 22 0.096 -3.452 -4.819
154 HE2 TYR 22 1HE TYR 22 -3.566 -3.685 -2.646
155 HH TYR 22 HH TYR 22 -1.541 -5.614 -3.756
156 H PHE 23 H PHE 23 -2.953 2.998 -1.994
157 HA PHE 23 HA PHE 23 -0.778 4.889 -1.361
158 HB2 PHE 23 2HB PHE 23 -3.590 5.619 -2.208
159 HB3 PHE 23 1HB PHE 23 -2.312 6.751 -1.782
160 HD1 PHE 23 1HD PHE 23 -3.034 3.978 -4.169
161 HD2 PHE 23 2HD PHE 23 -1.014 7.658 -3.460
162 HE1 PHE 23 1HE PHE 23 -2.301 4.023 -6.514
163 HE2 PHE 23 2HE PHE 23 -0.278 7.708 -5.807
164 HZ PHE 23 HZ PHE 23 -0.921 5.889 -7.338
165 H TYR 24 H TYR 24 -1.142 6.284 0.486
166 HA TYR 24 HA TYR 24 -3.187 5.340 2.371
167 HB2 TYR 24 2HB TYR 24 -0.810 4.343 2.741
168 HB3 TYR 24 1HB TYR 24 -0.414 5.945 3.357
169 HD1 TYR 24 2HD TYR 24 -2.975 3.256 3.781
170 HD2 TYR 24 1HD TYR 24 -0.733 6.375 5.614
171 HE1 TYR 24 2HE TYR 24 -3.922 2.646 5.965
172 HE2 TYR 24 1HE TYR 24 -1.674 5.772 7.804
173 HH TYR 24 HH TYR 24 -3.167 2.922 8.447
174 HA PRO 25 HA PRO 25 -3.888 9.699 2.864
175 HB2 PRO 25 2HB PRO 25 -5.244 9.623 5.231
176 HB3 PRO 25 1HB PRO 25 -5.967 9.201 3.675
177 HG2 PRO 25 2HG PRO 25 -4.864 7.406 5.803
178 HG3 PRO 25 1HG PRO 25 -6.347 7.229 4.847
179 HD2 PRO 25 2HD PRO 25 -4.100 5.859 4.268
180 HD3 PRO 25 1HD PRO 25 -5.212 6.420 3.004
181 H CYS 26 H CYS 26 -2.442 11.164 3.490
182 HA CYS 26 HA CYS 26 -0.839 10.658 5.891
183 HB2 CYS 26 2HB CYS 26 -0.144 11.514 3.332
184 HB3 CYS 26 1HB CYS 26 -0.045 12.970 4.320
185 HA PRO 27 HA PRO 27 -2.930 13.823 8.166
186 HB2 PRO 27 2HB PRO 27 -0.951 14.548 9.886
187 HB3 PRO 27 1HB PRO 27 -1.873 13.049 10.044
188 HG2 PRO 27 2HG PRO 27 0.847 13.489 8.873
189 HG3 PRO 27 1HG PRO 27 0.281 12.184 9.932
190 HD2 PRO 27 2HD PRO 27 0.559 11.869 7.260
191 HD3 PRO 27 1HD PRO 27 -0.696 11.026 8.194
192 H CYS 28 H CYS 28 -0.026 14.475 6.376
193 HA CYS 28 HA CYS 28 0.042 17.292 6.899
194 HB2 CYS 28 2HB CYS 28 1.725 17.372 5.109
195 HB3 CYS 28 1HB CYS 28 2.080 16.099 6.270
196 H GLY 29 H GLY 29 -1.351 15.226 4.394
197 HA2 GLY 29 2HA GLY 29 -3.490 16.604 3.640
198 HA3 GLY 29 1HA GLY 29 -2.232 17.536 2.844
199 H ASP 30 H ASP 30 -0.519 15.639 1.921
200 HA ASP 30 HA ASP 30 -1.994 14.551 -0.294
201 HB2 ASP 30 2HB ASP 30 0.519 15.493 -0.060
202 HB3 ASP 30 1HB ASP 30 0.843 13.773 0.123
203 H ASN 31 H ASN 31 -0.733 12.153 -0.873
204 HA ASN 31 HA ASN 31 -1.269 10.419 1.429
205 HB2 ASN 31 2HB ASN 31 -2.379 9.865 -1.329
206 HB3 ASN 31 1HB ASN 31 -2.665 8.938 0.138
207 HD21 ASN 31 1HD2 ASN 31 -3.269 12.019 -1.452
208 HD22 ASN 31 2HD2 ASN 31 -4.704 12.399 -0.565
209 H PHE 32 H PHE 32 0.002 8.639 1.575
210 HA PHE 32 HA PHE 32 2.438 8.521 0.175
211 HB2 PHE 32 2HB PHE 32 0.984 6.661 2.028
212 HB3 PHE 32 1HB PHE 32 2.425 6.096 1.193
213 HD1 PHE 32 2HD PHE 32 4.552 7.515 1.455
214 HD2 PHE 32 1HD PHE 32 1.173 7.837 4.023
215 HE1 PHE 32 2HE PHE 32 5.968 8.538 3.187
216 HE2 PHE 32 1HE PHE 32 2.586 8.861 5.759
217 HZ PHE 32 HZ PHE 32 4.988 9.212 5.341
218 H SER 33 H SER 33 3.228 6.627 -1.112
219 HA SER 33 HA SER 33 1.175 5.203 -2.615
220 HB2 SER 33 2HB SER 33 2.396 5.865 -4.785
221 HB3 SER 33 1HB SER 33 1.335 7.065 -4.049
222 HG SER 33 HG SER 33 3.293 8.027 -4.596
223 H ILE 34 H ILE 34 1.804 3.245 -3.364
224 HA ILE 34 HA ILE 34 4.606 2.527 -3.534
225 HB ILE 34 HB ILE 34 4.153 2.121 -1.165
226 HG12 ILE 34 2HG1 ILE 34 4.179 -0.665 -2.140
227 HG13 ILE 34 1HG1 ILE 34 5.355 0.401 -2.903
228 HG21 ILE 34 1HG2 ILE 34 1.626 1.534 -1.856
229 HG22 ILE 34 2HG2 ILE 34 2.355 1.048 -0.328
230 HG23 ILE 34 3HG2 ILE 34 2.274 -0.095 -1.668
231 HD11 ILE 34 3HD1 ILE 34 5.559 -0.909 -0.441
232 HD12 ILE 34 1HD1 ILE 34 5.387 0.807 -0.074
233 HD13 ILE 34 2HD1 ILE 34 6.678 0.260 -1.143
234 H THR 35 H THR 35 4.867 1.273 -5.271
235 HA THR 35 HA THR 35 2.628 0.317 -6.758
236 HB THR 35 HB THR 35 4.391 -0.677 -8.250
237 HG1 THR 35 1HG THR 35 6.513 -0.375 -7.743
238 HG21 THR 35 3HG2 THR 35 5.100 2.156 -7.566
239 HG22 THR 35 1HG2 THR 35 3.622 1.727 -8.428
240 HG23 THR 35 2HG2 THR 35 5.195 1.344 -9.128
241 H LYS 36 H LYS 36 2.049 -1.822 -7.268
242 HA LYS 36 HA LYS 36 2.079 -3.646 -5.129
243 HB2 LYS 36 2HB LYS 36 0.352 -3.571 -6.927
244 HB3 LYS 36 1HB LYS 36 1.528 -4.255 -8.042
245 HG2 LYS 36 2HG LYS 36 1.019 -5.729 -5.521
246 HG3 LYS 36 1HG LYS 36 -0.247 -5.741 -6.750
247 HD2 LYS 36 2HD LYS 36 1.974 -6.246 -8.248
248 HD3 LYS 36 1HD LYS 36 2.385 -7.044 -6.729
249 HE2 LYS 36 2HE LYS 36 1.255 -8.764 -7.665
250 HE3 LYS 36 1HE LYS 36 -0.136 -7.906 -7.008
251 HZ1 LYS 36 3HZ LYS 36 0.860 -7.424 -9.755
252 HZ2 LYS 36 1HZ LYS 36 -0.642 -6.998 -9.100
253 HZ3 LYS 36 2HZ LYS 36 -0.282 -8.622 -9.409
254 H GLU 37 H GLU 37 4.076 -3.411 -8.035
255 HA GLU 37 HA GLU 37 5.405 -5.877 -7.810
256 HB2 GLU 37 2HB GLU 37 5.404 -4.076 -9.720
257 HB3 GLU 37 1HB GLU 37 6.806 -3.447 -8.866
258 HG2 GLU 37 2HG GLU 37 8.023 -5.445 -9.198
259 HG3 GLU 37 1HG GLU 37 6.588 -6.314 -9.739
260 H ASP 38 H ASP 38 6.057 -2.712 -6.359
261 HA ASP 38 HA ASP 38 8.601 -3.184 -5.318
262 HB2 ASP 38 2HB ASP 38 6.340 -1.373 -4.604
263 HB3 ASP 38 1HB ASP 38 7.600 -1.596 -3.397
264 H LEU 39 H LEU 39 5.418 -3.797 -3.851
265 HA LEU 39 HA LEU 39 6.374 -4.839 -1.419
266 HB2 LEU 39 2HB LEU 39 3.802 -5.582 -2.804
267 HB3 LEU 39 1HB LEU 39 4.150 -5.711 -1.091
268 HG LEU 39 HG LEU 39 4.267 -3.029 -2.407
269 HD11 LEU 39 1HD1 LEU 39 1.869 -2.731 -1.842
270 HD12 LEU 39 2HD1 LEU 39 1.766 -4.468 -1.551
271 HD13 LEU 39 3HD1 LEU 39 2.158 -3.865 -3.161
272 HD21 LEU 39 3HD2 LEU 39 3.280 -3.769 0.333
273 HD22 LEU 39 1HD2 LEU 39 3.855 -2.206 -0.249
274 HD23 LEU 39 2HD2 LEU 39 4.993 -3.533 -0.016
275 H GLU 40 H GLU 40 5.592 -6.407 -4.505
276 HA GLU 40 HA GLU 40 5.917 -9.072 -3.653
277 HB2 GLU 40 2HB GLU 40 6.082 -7.716 -6.323
278 HB3 GLU 40 1HB GLU 40 6.479 -9.420 -6.165
279 HG2 GLU 40 2HG GLU 40 4.216 -9.743 -5.125
280 HG3 GLU 40 1HG GLU 40 3.851 -8.084 -5.595
281 H ASN 41 H ASN 41 8.247 -6.633 -4.623
282 HA ASN 41 HA ASN 41 10.426 -8.540 -4.791
283 HB2 ASN 41 2HB ASN 41 10.085 -5.633 -5.328
284 HB3 ASN 41 1HB ASN 41 11.703 -6.199 -4.926
285 HD21 ASN 41 1HD2 ASN 41 9.080 -6.390 -7.200
286 HD22 ASN 41 2HD2 ASN 41 9.981 -7.115 -8.483
287 H GLY 42 H GLY 42 9.265 -6.076 -2.541
288 HA2 GLY 42 2HA GLY 42 9.913 -6.926 -0.164
289 HA3 GLY 42 1HA GLY 42 11.535 -6.603 -0.757
290 H GLU 43 H GLU 43 10.111 -4.288 -2.342
291 HA GLU 43 HA GLU 43 10.808 -2.232 -0.522
292 HB2 GLU 43 2HB GLU 43 9.499 -2.290 -3.228
293 HB3 GLU 43 1HB GLU 43 9.599 -0.790 -2.318
294 HG2 GLU 43 2HG GLU 43 12.153 -1.532 -2.159
295 HG3 GLU 43 1HG GLU 43 11.722 -2.345 -3.665
296 H ASP 44 H ASP 44 9.496 -2.801 1.286
297 HA ASP 44 HA ASP 44 6.625 -2.287 1.044
298 HB2 ASP 44 2HB ASP 44 6.473 -3.234 3.317
299 HB3 ASP 44 1HB ASP 44 7.242 -4.344 2.193
300 H VAL 45 H VAL 45 8.253 -0.085 0.693
301 HA VAL 45 HA VAL 45 7.637 1.490 3.100
302 HB VAL 45 HB VAL 45 9.748 2.850 1.902
303 HG11 VAL 45 1HG1 VAL 45 11.002 2.118 3.948
304 HG12 VAL 45 2HG1 VAL 45 9.624 1.084 4.329
305 HG13 VAL 45 3HG1 VAL 45 9.418 2.835 4.243
306 HG21 VAL 45 3HG2 VAL 45 10.653 0.007 2.249
307 HG22 VAL 45 1HG2 VAL 45 11.545 1.371 1.578
308 HG23 VAL 45 2HG2 VAL 45 10.202 0.668 0.677
309 H ALA 46 H ALA 46 6.524 3.311 2.743
310 HA ALA 46 HA ALA 46 6.205 4.184 -0.053
311 HB1 ALA 46 1HB ALA 46 4.162 5.076 1.855
312 HB2 ALA 46 2HB ALA 46 4.215 3.332 1.601
313 HB3 ALA 46 3HB ALA 46 3.988 4.415 0.229
314 H THR 47 H THR 47 6.573 6.292 -0.560
315 HA THR 47 HA THR 47 7.356 8.075 1.653
316 HB THR 47 HB THR 47 8.468 8.122 -1.161
317 HG1 THR 47 1HG THR 47 9.376 6.353 -0.339
318 HG21 THR 47 3HG2 THR 47 9.570 9.965 -0.626
319 HG22 THR 47 1HG2 THR 47 10.146 9.251 0.880
320 HG23 THR 47 2HG2 THR 47 8.584 10.066 0.832
321 H CYS 48 H CYS 48 6.372 9.992 1.796
322 HA CYS 48 HA CYS 48 4.312 10.626 -0.165
323 HB2 CYS 48 2HB CYS 48 3.783 10.627 2.267
324 HB3 CYS 48 1HB CYS 48 4.914 11.959 2.485
325 HA PRO 49 HA PRO 49 7.157 13.443 -2.222
326 HB2 PRO 49 2HB PRO 49 4.589 14.420 -3.360
327 HB3 PRO 49 1HB PRO 49 6.075 13.939 -4.185
328 HG2 PRO 49 2HG PRO 49 3.950 12.345 -4.199
329 HG3 PRO 49 1HG PRO 49 5.583 11.674 -4.028
330 HD2 PRO 49 2HD PRO 49 3.476 12.098 -1.947
331 HD3 PRO 49 1HD PRO 49 4.623 10.754 -2.134
332 H SER 50 H SER 50 4.413 14.323 -0.248
333 HA SER 50 HA SER 50 4.968 17.155 -0.360
334 HB2 SER 50 2HB SER 50 3.013 15.485 1.216
335 HB3 SER 50 1HB SER 50 3.204 17.216 1.491
336 HG SER 50 HG SER 50 2.753 17.467 -0.800
337 H CYS 51 H CYS 51 4.661 15.069 2.535
338 HA CYS 51 HA CYS 51 6.484 16.743 3.994
339 HB2 CYS 51 2HB CYS 51 6.137 15.140 5.844
340 HB3 CYS 51 1HB CYS 51 4.620 15.721 5.162
341 H SER 52 H SER 52 6.781 13.812 2.153
342 HA SER 52 HA SER 52 8.581 12.574 1.535
343 HB2 SER 52 2HB SER 52 9.627 15.061 1.762
344 HB3 SER 52 1HB SER 52 10.592 14.209 2.965
345 HG SER 52 HG SER 52 11.210 12.741 1.364
346 H LEU 53 H LEU 53 7.155 11.925 3.861
347 HA LEU 53 HA LEU 53 9.126 11.080 5.836
348 HB2 LEU 53 2HB LEU 53 6.165 11.304 5.732
349 HB3 LEU 53 1HB LEU 53 6.829 10.057 6.770
350 HG LEU 53 HG LEU 53 7.820 12.875 7.003
351 HD11 LEU 53 1HD1 LEU 53 5.655 13.459 7.338
352 HD12 LEU 53 2HD1 LEU 53 6.009 12.841 8.952
353 HD13 LEU 53 3HD1 LEU 53 5.164 11.827 7.784
354 HD21 LEU 53 3HD2 LEU 53 7.707 10.445 8.756
355 HD22 LEU 53 1HD2 LEU 53 7.936 12.055 9.437
356 HD23 LEU 53 2HD2 LEU 53 9.105 11.411 8.283
357 H ILE 54 H ILE 54 8.530 8.740 6.752
358 HA ILE 54 HA ILE 54 8.323 6.916 4.446
359 HB ILE 54 HB ILE 54 9.906 5.397 5.720
360 HG12 ILE 54 2HG1 ILE 54 10.655 7.955 7.151
361 HG13 ILE 54 1HG1 ILE 54 9.693 6.674 7.884
362 HG21 ILE 54 1HG2 ILE 54 11.657 6.163 4.498
363 HG22 ILE 54 2HG2 ILE 54 11.437 7.834 5.015
364 HG23 ILE 54 3HG2 ILE 54 10.386 7.149 3.775
365 HD11 ILE 54 3HD1 ILE 54 12.577 6.821 7.376
366 HD12 ILE 54 1HD1 ILE 54 11.827 5.264 7.025
367 HD13 ILE 54 2HD1 ILE 54 11.681 5.970 8.634
368 H ILE 55 H ILE 55 7.222 5.003 4.743
369 HA ILE 55 HA ILE 55 6.123 4.409 7.393
370 HB ILE 55 HB ILE 55 3.874 3.989 6.448
371 HG12 ILE 55 2HG1 ILE 55 4.459 5.685 4.076
372 HG13 ILE 55 1HG1 ILE 55 4.999 4.011 4.013
373 HG21 ILE 55 1HG2 ILE 55 3.190 6.353 6.277
374 HG22 ILE 55 2HG2 ILE 55 4.890 6.812 6.175
375 HG23 ILE 55 3HG2 ILE 55 4.271 6.046 7.637
376 HD11 ILE 55 3HD1 ILE 55 2.335 4.021 4.968
377 HD12 ILE 55 1HD1 ILE 55 2.960 3.386 3.447
378 HD13 ILE 55 2HD1 ILE 55 2.412 5.058 3.545
379 H LYS 56 H LYS 56 5.209 2.227 7.548
380 HA LYS 56 HA LYS 56 6.573 0.386 5.703
381 HB2 LYS 56 2HB LYS 56 6.759 0.489 8.411
382 HB3 LYS 56 1HB LYS 56 5.456 -0.675 8.221
383 HG2 LYS 56 2HG LYS 56 8.055 -0.953 6.749
384 HG3 LYS 56 1HG LYS 56 7.826 -1.574 8.386
385 HD2 LYS 56 2HD LYS 56 5.625 -2.566 7.150
386 HD3 LYS 56 1HD LYS 56 6.783 -2.568 5.818
387 HE2 LYS 56 2HE LYS 56 6.780 -4.693 7.058
388 HE3 LYS 56 1HE LYS 56 8.341 -3.878 7.129
389 HZ1 LYS 56 3HZ LYS 56 8.182 -3.587 9.335
390 HZ2 LYS 56 1HZ LYS 56 7.053 -4.846 9.265
391 HZ3 LYS 56 2HZ LYS 56 6.527 -3.240 9.296
392 H VAL 57 H VAL 57 5.532 -1.048 4.537
393 HA VAL 57 HA VAL 57 2.604 -1.119 4.780
394 HB VAL 57 HB VAL 57 3.856 -2.129 2.290
395 HG11 VAL 57 1HG1 VAL 57 1.950 -0.876 1.322
396 HG12 VAL 57 2HG1 VAL 57 1.525 -0.342 2.948
397 HG13 VAL 57 3HG1 VAL 57 1.459 -2.056 2.538
398 HG21 VAL 57 3HG2 VAL 57 3.782 0.833 2.887
399 HG22 VAL 57 1HG2 VAL 57 4.204 0.084 1.347
400 HG23 VAL 57 2HG2 VAL 57 5.243 -0.142 2.752
401 H ILE 58 H ILE 58 1.880 -2.899 5.745
402 HA ILE 58 HA ILE 58 3.441 -5.364 5.629
403 HB ILE 58 HB ILE 58 0.884 -4.895 7.164
404 HG12 ILE 58 2HG1 ILE 58 2.582 -3.252 7.851
405 HG13 ILE 58 1HG1 ILE 58 2.287 -4.435 9.121
406 HG21 ILE 58 1HG2 ILE 58 2.210 -6.720 8.584
407 HG22 ILE 58 2HG2 ILE 58 2.870 -7.085 6.991
408 HG23 ILE 58 3HG2 ILE 58 1.128 -7.148 7.259
409 HD11 ILE 58 3HD1 ILE 58 4.626 -4.030 9.001
410 HD12 ILE 58 1HD1 ILE 58 4.642 -4.307 7.260
411 HD13 ILE 58 2HD1 ILE 58 4.325 -5.646 8.363
412 H TYR 59 H TYR 59 2.838 -7.172 4.557
413 HA TYR 59 HA TYR 59 0.145 -7.462 3.501
414 HB2 TYR 59 2HB TYR 59 1.067 -7.862 1.169
415 HB3 TYR 59 1HB TYR 59 1.090 -6.186 1.712
416 HD1 TYR 59 1HD TYR 59 3.152 -9.138 0.976
417 HD2 TYR 59 2HD TYR 59 3.172 -5.042 2.126
418 HE1 TYR 59 1HE TYR 59 5.567 -9.031 0.534
419 HE2 TYR 59 2HE TYR 59 5.584 -4.923 1.684
420 HH TYR 59 HH TYR 59 7.230 -6.863 -0.108
421 H ASP 60 H ASP 60 0.172 -9.585 2.021
422 HA ASP 60 HA ASP 60 1.293 -11.658 3.716
423 HB2 ASP 60 2HB ASP 60 -1.101 -11.603 2.696
424 HB3 ASP 60 1HB ASP 60 -0.316 -12.167 1.225
425 H LYS 61 H LYS 61 3.445 -11.897 3.328
426 HA LYS 61 HA LYS 61 4.701 -11.646 0.829
427 HB2 LYS 61 2HB LYS 61 5.519 -13.013 3.380
428 HB3 LYS 61 1HB LYS 61 6.544 -13.046 1.952
429 HG2 LYS 61 2HG LYS 61 5.573 -10.387 2.780
430 HG3 LYS 61 1HG LYS 61 6.710 -11.180 3.873
431 HD2 LYS 61 2HD LYS 61 7.901 -11.615 1.468
432 HD3 LYS 61 1HD LYS 61 7.135 -10.049 1.189
433 HE2 LYS 61 2HE LYS 61 8.454 -8.982 2.701
434 HE3 LYS 61 1HE LYS 61 8.590 -10.395 3.744
435 HZ1 LYS 61 3HZ LYS 61 10.194 -9.652 1.404
436 HZ2 LYS 61 1HZ LYS 61 9.981 -11.297 1.742
437 HZ3 LYS 61 2HZ LYS 61 10.689 -10.281 2.893
438 H ASP 62 H ASP 62 3.118 -14.376 2.366
439 HA ASP 62 HA ASP 62 4.147 -16.405 0.684
440 HB2 ASP 62 2HB ASP 62 1.614 -16.229 2.322
441 HB3 ASP 62 1HB ASP 62 2.053 -17.665 1.402
442 H GLN 63 H GLN 63 1.435 -14.172 0.376
443 HA GLN 63 HA GLN 63 0.417 -15.452 -2.006
444 HB2 GLN 63 2HB GLN 63 -0.261 -12.891 -0.572
445 HB3 GLN 63 1HB GLN 63 -0.998 -13.325 -2.109
446 HG2 GLN 63 2HG GLN 63 -1.387 -15.594 -0.657
447 HG3 GLN 63 1HG GLN 63 -1.503 -14.347 0.584
448 HE21 GLN 63 1HE2 GLN 63 -2.945 -12.483 0.016
449 HE22 GLN 63 2HE2 GLN 63 -4.419 -12.850 -0.805
450 H PHE 64 H PHE 64 2.297 -12.541 -1.233
451 HA PHE 64 HA PHE 64 2.449 -11.631 -3.935
452 HB2 PHE 64 2HB PHE 64 3.840 -10.882 -1.380
453 HB3 PHE 64 1HB PHE 64 4.422 -10.252 -2.917
454 HD1 PHE 64 1HD PHE 64 1.154 -10.660 -1.137
455 HD2 PHE 64 2HD PHE 64 3.662 -8.179 -3.520
456 HE1 PHE 64 1HE PHE 64 -0.530 -8.872 -1.042
457 HE2 PHE 64 2HE PHE 64 1.981 -6.387 -3.428
458 HZ PHE 64 HZ PHE 64 -0.118 -6.730 -2.188
459 H VAL 65 H VAL 65 5.199 -12.617 -1.863
460 HA VAL 65 HA VAL 65 6.396 -13.869 -4.243
461 HB VAL 65 HB VAL 65 7.651 -11.921 -3.525
462 HG11 VAL 65 1HG1 VAL 65 6.957 -12.631 -0.964
463 HG12 VAL 65 2HG1 VAL 65 8.114 -11.379 -1.411
464 HG13 VAL 65 3HG1 VAL 65 8.679 -13.005 -1.028
465 HG21 VAL 65 3HG2 VAL 65 9.026 -14.544 -2.969
466 HG22 VAL 65 1HG2 VAL 65 9.870 -13.009 -3.165
467 HG23 VAL 65 2HG2 VAL 65 8.941 -13.682 -4.505
468 H SER 66 H SER 66 5.621 -15.935 -3.932
469 HA SER 66 HA SER 66 5.924 -17.307 -1.417
470 HB2 SER 66 2HB SER 66 5.146 -19.303 -2.741
471 HB3 SER 66 1HB SER 66 4.050 -17.924 -2.808
472 HG SER 66 HG SER 66 4.312 -17.909 -4.884
473 H GLY 67 H GLY 67 8.156 -17.207 -0.973
474 HA2 GLY 67 2HA GLY 67 10.153 -18.047 -2.818
475 HA3 GLY 67 1HA GLY 67 10.369 -17.839 -1.086
476 H GLU 68 H GLU 68 10.359 -19.596 0.235
477 HA GLU 68 HA GLU 68 10.161 -22.213 -1.096
478 HB2 GLU 68 2HB GLU 68 11.819 -21.162 1.158
479 HB3 GLU 68 1HB GLU 68 11.431 -22.877 1.121
480 HG2 GLU 68 2HG GLU 68 12.818 -23.290 -0.590
481 HG3 GLU 68 1HG GLU 68 12.424 -21.782 -1.413
482 H THR 69 H THR 69 7.852 -20.738 -0.134
483 HA THR 69 HA THR 69 7.017 -22.001 2.321
484 HB THR 69 HB THR 69 6.305 -19.705 1.791
485 HG1 THR 69 1HG THR 69 4.490 -20.060 2.786
486 HG21 THR 69 3HG2 THR 69 5.807 -20.599 -0.759
487 HG22 THR 69 1HG2 THR 69 5.318 -19.048 -0.078
488 HG23 THR 69 2HG2 THR 69 4.196 -20.409 -0.067
489 H VAL 70 H VAL 70 6.029 -23.884 2.496
490 HA VAL 70 HA VAL 70 5.172 -25.274 0.068
491 HB VAL 70 HB VAL 70 5.432 -26.413 2.855
492 HG11 VAL 70 1HG1 VAL 70 4.063 -27.746 1.363
493 HG12 VAL 70 2HG1 VAL 70 5.596 -28.558 1.676
494 HG13 VAL 70 3HG1 VAL 70 5.335 -27.727 0.142
495 HG21 VAL 70 3HG2 VAL 70 7.621 -27.304 2.085
496 HG22 VAL 70 1HG2 VAL 70 7.591 -25.548 2.243
497 HG23 VAL 70 2HG2 VAL 70 7.485 -26.292 0.647
498 HA PRO 71 HA PRO 71 0.861 -24.558 0.802
499 HB2 PRO 71 2HB PRO 71 0.514 -27.342 -0.200
500 HB3 PRO 71 1HB PRO 71 -0.234 -25.844 -0.759
501 HG2 PRO 71 2HG PRO 71 1.701 -26.996 -2.169
502 HG3 PRO 71 1HG PRO 71 1.625 -25.231 -2.011
503 HD2 PRO 71 2HD PRO 71 3.413 -27.186 -0.624
504 HD3 PRO 71 1HD PRO 71 3.782 -25.563 -1.245
505 H ALA 72 H ALA 72 1.093 -24.603 3.131
506 HA ALA 72 HA ALA 72 -0.527 -26.523 4.403
507 HB1 ALA 72 1HB ALA 72 1.263 -27.473 5.927
508 HB2 ALA 72 2HB ALA 72 2.442 -26.865 4.765
509 HB3 ALA 72 3HB ALA 72 1.255 -28.071 4.268
510 HA PRO 73 HA PRO 73 -0.696 -23.153 7.275
511 HB2 PRO 73 2HB PRO 73 -1.850 -24.351 9.398
512 HB3 PRO 73 1HB PRO 73 -2.734 -24.025 7.902
513 HG2 PRO 73 2HG PRO 73 -1.478 -26.575 8.843
514 HG3 PRO 73 1HG PRO 73 -3.061 -26.322 8.084
515 HD2 PRO 73 2HD PRO 73 -0.889 -27.208 6.711
516 HD3 PRO 73 1HD PRO 73 -2.170 -26.235 5.963
517 H SER 74 H SER 74 0.680 -22.214 8.659
518 HA SER 74 HA SER 74 1.942 -23.616 10.807
519 HB2 SER 74 2HB SER 74 3.422 -23.171 8.269
520 HB3 SER 74 1HB SER 74 4.289 -22.802 9.759
521 HG SER 74 HG SER 74 3.403 -25.024 10.381
522 H ALA 75 H ALA 75 2.429 -20.790 8.684
523 HA ALA 75 HA ALA 75 3.451 -19.066 10.632
524 HB1 ALA 75 1HB ALA 75 3.789 -18.356 8.453
525 HB2 ALA 75 2HB ALA 75 2.544 -17.250 9.032
526 HB3 ALA 75 3HB ALA 75 2.105 -18.608 7.997
527 H ASN 76 H ASN 76 0.089 -19.602 9.598
528 HA ASN 76 HA ASN 76 -0.881 -18.674 12.146
529 HB2 ASN 76 2HB ASN 76 -2.347 -16.911 11.217
530 HB3 ASN 76 1HB ASN 76 -0.641 -16.528 11.009
531 HD21 ASN 76 1HD2 ASN 76 0.293 -16.749 8.926
532 HD22 ASN 76 2HD2 ASN 76 -0.692 -16.681 7.507
533 H LYS 77 H LYS 77 -3.272 -18.897 12.323
534 HA LYS 77 HA LYS 77 -4.531 -20.598 10.313
535 HB2 LYS 77 2HB LYS 77 -3.700 -21.488 13.025
536 HB3 LYS 77 1HB LYS 77 -5.288 -22.003 12.474
537 HG2 LYS 77 2HG LYS 77 -2.833 -22.405 10.799
538 HG3 LYS 77 1HG LYS 77 -3.315 -23.557 12.045
539 HD2 LYS 77 2HD LYS 77 -5.047 -22.673 9.735
540 HD3 LYS 77 1HD LYS 77 -4.128 -24.178 9.796
541 HE2 LYS 77 2HE LYS 77 -5.415 -24.654 11.962
542 HE3 LYS 77 1HE LYS 77 -6.491 -23.351 11.458
543 HZ1 LYS 77 3HZ LYS 77 -7.407 -25.393 10.707
544 HZ2 LYS 77 1HZ LYS 77 -5.945 -25.886 10.014
545 HZ3 LYS 77 2HZ LYS 77 -6.808 -24.596 9.341
546 H GLU 78 H GLU 78 -5.810 -18.641 10.070
547 HA GLU 78 HA GLU 78 -7.963 -18.522 12.064
548 HB2 GLU 78 2HB GLU 78 -6.154 -16.585 12.081
549 HB3 GLU 78 1HB GLU 78 -7.118 -15.983 10.740
550 HG2 GLU 78 2HG GLU 78 -8.854 -15.418 12.059
551 HG3 GLU 78 1HG GLU 78 -8.618 -16.785 13.146
552 H LEU 79 H LEU 79 -9.435 -19.595 10.806
553 HA LEU 79 HA LEU 79 -10.539 -18.082 8.586
554 HB2 LEU 79 2HB LEU 79 -10.526 -19.921 7.022
555 HB3 LEU 79 1HB LEU 79 -8.885 -19.552 7.515
556 HG LEU 79 HG LEU 79 -10.332 -21.728 8.957
557 HD11 LEU 79 1HD1 LEU 79 -8.903 -22.349 6.405
558 HD12 LEU 79 2HD1 LEU 79 -10.616 -21.930 6.387
559 HD13 LEU 79 3HD1 LEU 79 -10.061 -23.326 7.310
560 HD21 LEU 79 3HD2 LEU 79 -8.212 -21.329 9.828
561 HD22 LEU 79 1HD2 LEU 79 -7.502 -21.055 8.237
562 HD23 LEU 79 2HD2 LEU 79 -7.951 -22.686 8.734
563 H VAL 80 H VAL 80 -11.418 -18.793 11.292
564 HA VAL 80 HA VAL 80 -13.728 -20.505 10.661
565 HB VAL 80 HB VAL 80 -12.683 -19.842 13.417
566 HG11 VAL 80 1HG1 VAL 80 -14.817 -20.536 13.810
567 HG12 VAL 80 2HG1 VAL 80 -14.022 -22.108 13.749
568 HG13 VAL 80 3HG1 VAL 80 -14.894 -21.506 12.339
569 HG21 VAL 80 3HG2 VAL 80 -11.896 -21.955 11.481
570 HG22 VAL 80 1HG2 VAL 80 -12.047 -22.413 13.178
571 HG23 VAL 80 2HG2 VAL 80 -10.937 -21.127 12.706
572 H LYS 81 H LYS 81 -15.505 -19.379 10.237
573 HA LYS 81 HA LYS 81 -16.639 -17.567 12.088
574 HB2 LYS 81 2HB LYS 81 -16.648 -15.533 10.659
575 HB3 LYS 81 1HB LYS 81 -15.044 -15.967 11.233
576 HG2 LYS 81 2HG LYS 81 -15.087 -17.256 8.859
577 HG3 LYS 81 1HG LYS 81 -16.118 -15.869 8.502
578 HD2 LYS 81 2HD LYS 81 -14.419 -14.344 8.884
579 HD3 LYS 81 1HD LYS 81 -13.505 -15.462 9.897
580 HE2 LYS 81 2HE LYS 81 -13.252 -16.854 7.740
581 HE3 LYS 81 1HE LYS 81 -13.733 -15.376 6.908
582 HZ1 LYS 81 3HZ LYS 81 -11.846 -14.384 8.434
583 HZ2 LYS 81 1HZ LYS 81 -11.495 -15.094 6.938
584 HZ3 LYS 81 2HZ LYS 81 -11.270 -15.973 8.365
585 H LEU 82 H LEU 82 -18.566 -18.585 11.938
586 HA LEU 82 HA LEU 82 -19.698 -19.398 9.424
587 HB2 LEU 82 2HB LEU 82 -20.517 -19.542 12.284
588 HB3 LEU 82 1HB LEU 82 -21.772 -19.681 11.070
589 HG LEU 82 HG LEU 82 -20.961 -21.872 11.843
590 HD11 LEU 82 1HD1 LEU 82 -21.622 -21.186 9.348
591 HD12 LEU 82 2HD1 LEU 82 -21.188 -22.832 9.811
592 HD13 LEU 82 3HD1 LEU 82 -19.988 -21.783 9.054
593 HD21 LEU 82 3HD2 LEU 82 -18.379 -21.434 10.413
594 HD22 LEU 82 1HD2 LEU 82 -18.787 -22.601 11.669
595 HD23 LEU 82 2HD2 LEU 82 -18.546 -20.905 12.086
596 H GLU 83 H GLU 83 -21.669 -18.636 8.497
597 HA GLU 83 HA GLU 83 -22.775 -16.123 9.434
598 HB2 GLU 83 2HB GLU 83 -20.682 -15.857 7.788
599 HB3 GLU 83 1HB GLU 83 -21.938 -16.080 6.579
600 HG2 GLU 83 2HG GLU 83 -23.093 -14.152 7.280
601 HG3 GLU 83 1HG GLU 83 -22.158 -14.037 8.769
602 H HIS 84 H HIS 84 -24.600 -15.387 7.995
603 HA HIS 84 HA HIS 84 -25.898 -17.638 6.613
604 HB2 HIS 84 2HB HIS 84 -26.933 -15.990 8.872
605 HB3 HIS 84 1HB HIS 84 -28.069 -16.453 7.608
606 HD1 HIS 84 1HD HIS 84 -25.686 -18.045 10.085
607 HD2 HIS 84 2HD HIS 84 -29.041 -18.993 7.823
608 HE1 HIS 84 1HE HIS 84 -26.383 -20.339 10.844
609 HE2 HIS 84 2HE HIS 84 -28.455 -20.864 9.511
Start of MODEL 8
1 H1 MET 1 1HT MET 1 13.392 0.818 9.724
2 H2 MET 1 2HT MET 1 14.035 0.085 11.135
3 H3 MET 1 3HT MET 1 13.606 -0.881 9.785
4 HA MET 1 HA MET 1 15.897 -0.716 9.757
5 HB2 MET 1 2HB MET 1 14.402 1.005 7.812
6 HB3 MET 1 1HB MET 1 16.155 0.913 7.704
7 HG2 MET 1 2HG MET 1 15.521 -0.736 6.251
8 HG3 MET 1 1HG MET 1 15.753 -1.655 7.739
9 HE1 MET 1 2HE MET 1 12.638 -2.731 5.280
10 HE2 MET 1 3HE MET 1 13.837 -3.646 6.195
11 HE3 MET 1 1HE MET 1 14.352 -2.350 5.115
12 H ALA 2 H ALA 2 14.637 2.642 9.653
13 HA ALA 2 HA ALA 2 16.938 3.433 11.311
14 HB1 ALA 2 1HB ALA 2 16.752 4.136 8.718
15 HB2 ALA 2 2HB ALA 2 17.547 5.119 9.945
16 HB3 ALA 2 3HB ALA 2 15.890 5.481 9.467
17 H VAL 3 H VAL 3 14.028 5.118 10.069
18 HA VAL 3 HA VAL 3 12.940 5.321 12.754
19 HB VAL 3 HB VAL 3 12.673 7.836 12.521
20 HG11 VAL 3 1HG1 VAL 3 14.360 6.537 13.971
21 HG12 VAL 3 2HG1 VAL 3 14.624 8.261 13.712
22 HG13 VAL 3 3HG1 VAL 3 15.558 7.079 12.796
23 HG21 VAL 3 3HG2 VAL 3 15.113 7.946 10.864
24 HG22 VAL 3 1HG2 VAL 3 13.732 9.039 10.929
25 HG23 VAL 3 2HG2 VAL 3 13.619 7.531 10.024
26 H PHE 4 H PHE 4 11.367 3.992 11.564
27 HA PHE 4 HA PHE 4 9.841 5.083 9.419
28 HB2 PHE 4 2HB PHE 4 9.660 2.676 11.156
29 HB3 PHE 4 1HB PHE 4 8.187 3.194 10.351
30 HD1 PHE 4 1HD PHE 4 11.625 1.993 9.835
31 HD2 PHE 4 2HD PHE 4 7.891 2.912 8.013
32 HE1 PHE 4 1HE PHE 4 12.344 0.835 7.786
33 HE2 PHE 4 2HE PHE 4 8.602 1.757 5.963
34 HZ PHE 4 HZ PHE 4 10.832 0.716 5.844
35 H HIS 5 H HIS 5 7.476 5.460 9.526
36 HA HIS 5 HA HIS 5 6.850 7.160 11.816
37 HB2 HIS 5 2HB HIS 5 6.563 7.809 9.313
38 HB3 HIS 5 1HB HIS 5 5.095 6.842 9.394
39 HD1 HIS 5 1HD HIS 5 3.185 8.386 9.595
40 HD2 HIS 5 2HD HIS 5 6.425 9.643 11.873
41 HE1 HIS 5 1HE HIS 5 2.399 10.447 10.801
42 HE2 HIS 5 2HE HIS 5 4.335 11.114 12.269
43 H ASP 6 H ASP 6 4.984 4.830 9.839
44 HA ASP 6 HA ASP 6 4.111 3.379 12.157
45 HB2 ASP 6 2HB ASP 6 2.348 5.413 10.880
46 HB3 ASP 6 1HB ASP 6 1.610 3.878 11.325
47 H GLU 7 H GLU 7 3.513 1.322 11.623
48 HA GLU 7 HA GLU 7 3.607 0.618 8.789
49 HB2 GLU 7 2HB GLU 7 3.391 -1.302 11.108
50 HB3 GLU 7 1HB GLU 7 3.945 -1.639 9.475
51 HG2 GLU 7 2HG GLU 7 6.012 -1.366 10.203
52 HG3 GLU 7 1HG GLU 7 5.655 0.348 10.410
53 H VAL 8 H VAL 8 1.897 -0.115 7.634
54 HA VAL 8 HA VAL 8 -0.594 -0.746 9.056
55 HB VAL 8 HB VAL 8 -0.543 1.028 6.612
56 HG11 VAL 8 1HG1 VAL 8 -2.850 1.272 6.895
57 HG12 VAL 8 2HG1 VAL 8 -2.809 0.646 8.541
58 HG13 VAL 8 3HG1 VAL 8 -2.568 -0.445 7.178
59 HG21 VAL 8 3HG2 VAL 8 -0.637 1.727 9.531
60 HG22 VAL 8 1HG2 VAL 8 -1.314 2.793 8.300
61 HG23 VAL 8 2HG2 VAL 8 0.402 2.387 8.270
62 H GLU 9 H GLU 9 -1.858 -2.293 8.121
63 HA GLU 9 HA GLU 9 -0.639 -4.091 6.308
64 HB2 GLU 9 2HB GLU 9 -3.469 -3.898 7.345
65 HB3 GLU 9 1HB GLU 9 -2.905 -5.206 6.314
66 HG2 GLU 9 2HG GLU 9 -1.252 -5.828 8.006
67 HG3 GLU 9 1HG GLU 9 -1.820 -4.518 9.038
68 H ILE 10 H ILE 10 -0.953 -4.470 4.173
69 HA ILE 10 HA ILE 10 -1.575 -2.380 2.457
70 HB ILE 10 HB ILE 10 -0.224 -4.369 1.849
71 HG12 ILE 10 2HG1 ILE 10 -1.659 -4.667 -0.445
72 HG13 ILE 10 1HG1 ILE 10 -2.346 -3.175 0.186
73 HG21 ILE 10 1HG2 ILE 10 -2.906 -5.732 1.708
74 HG22 ILE 10 2HG2 ILE 10 -1.545 -6.149 2.749
75 HG23 ILE 10 3HG2 ILE 10 -1.424 -6.378 1.005
76 HD11 ILE 10 3HD1 ILE 10 -0.140 -3.322 -1.357
77 HD12 ILE 10 1HD1 ILE 10 0.576 -3.294 0.253
78 HD13 ILE 10 2HD1 ILE 10 -0.504 -1.996 -0.255
79 H GLU 11 H GLU 11 -3.701 -4.764 3.894
80 HA GLU 11 HA GLU 11 -5.880 -4.597 2.144
81 HB2 GLU 11 2HB GLU 11 -7.258 -5.302 4.093
82 HB3 GLU 11 1HB GLU 11 -5.831 -6.298 3.845
83 HG2 GLU 11 2HG GLU 11 -4.952 -5.750 5.828
84 HG3 GLU 11 1HG GLU 11 -5.415 -4.057 5.679
85 H ASP 12 H ASP 12 -4.790 -2.417 4.660
86 HA ASP 12 HA ASP 12 -7.190 -0.851 4.742
87 HB2 ASP 12 2HB ASP 12 -5.091 -1.095 6.428
88 HB3 ASP 12 1HB ASP 12 -4.631 0.383 5.588
89 H PHE 13 H PHE 13 -4.211 -0.791 2.903
90 HA PHE 13 HA PHE 13 -4.353 1.839 1.901
91 HB2 PHE 13 2HB PHE 13 -2.983 -0.682 1.044
92 HB3 PHE 13 1HB PHE 13 -3.030 0.677 -0.071
93 HD1 PHE 13 2HD PHE 13 -2.351 0.175 3.580
94 HD2 PHE 13 1HD PHE 13 -1.143 1.953 -0.095
95 HE1 PHE 13 2HE PHE 13 -0.391 1.154 4.698
96 HE2 PHE 13 1HE PHE 13 0.818 2.931 1.018
97 HZ PHE 13 HZ PHE 13 1.196 2.533 3.418
98 H GLN 14 H GLN 14 -4.658 2.309 -0.499
99 HA GLN 14 HA GLN 14 -7.208 1.127 -1.355
100 HB2 GLN 14 2HB GLN 14 -5.944 3.798 -1.647
101 HB3 GLN 14 1HB GLN 14 -6.926 3.240 -2.994
102 HG2 GLN 14 2HG GLN 14 -8.510 4.327 -1.790
103 HG3 GLN 14 1HG GLN 14 -8.659 2.719 -1.083
104 HE21 GLN 14 1HE2 GLN 14 -9.662 4.131 0.622
105 HE22 GLN 14 2HE2 GLN 14 -8.615 4.734 1.857
106 H TYR 15 H TYR 15 -6.974 -0.495 -2.771
107 HA TYR 15 HA TYR 15 -4.680 -0.897 -4.375
108 HB2 TYR 15 2HB TYR 15 -6.121 -2.760 -3.707
109 HB3 TYR 15 1HB TYR 15 -7.452 -2.087 -4.643
110 HD1 TYR 15 1HD TYR 15 -3.916 -3.212 -5.100
111 HD2 TYR 15 2HD TYR 15 -7.813 -2.904 -6.778
112 HE1 TYR 15 1HE TYR 15 -3.161 -4.479 -7.066
113 HE2 TYR 15 2HE TYR 15 -7.071 -4.171 -8.750
114 HH TYR 15 HH TYR 15 -4.943 -6.024 -9.056
115 H ASP 16 H ASP 16 -4.126 -0.087 -6.287
116 HA ASP 16 HA ASP 16 -6.095 1.536 -7.736
117 HB2 ASP 16 2HB ASP 16 -3.665 2.304 -6.929
118 HB3 ASP 16 1HB ASP 16 -3.206 1.589 -8.471
119 H GLU 17 H GLU 17 -7.163 0.117 -9.024
120 HA GLU 17 HA GLU 17 -6.068 -2.090 -10.355
121 HB2 GLU 17 2HB GLU 17 -8.095 -1.768 -11.918
122 HB3 GLU 17 1HB GLU 17 -8.393 -2.112 -10.221
123 HG2 GLU 17 2HG GLU 17 -9.211 -0.018 -9.796
124 HG3 GLU 17 1HG GLU 17 -8.272 0.730 -11.085
125 H ASP 18 H ASP 18 -6.018 1.287 -11.169
126 HA ASP 18 HA ASP 18 -5.706 1.323 -13.890
127 HB2 ASP 18 2HB ASP 18 -5.636 3.248 -12.116
128 HB3 ASP 18 1HB ASP 18 -3.893 3.014 -12.205
129 H SER 19 H SER 19 -3.077 0.859 -11.502
130 HA SER 19 HA SER 19 -1.641 -0.774 -13.423
131 HB2 SER 19 2HB SER 19 -1.025 1.706 -13.793
132 HB3 SER 19 1HB SER 19 -0.160 1.579 -12.261
133 HG SER 19 HG SER 19 1.379 0.915 -13.559
134 H GLU 20 H GLU 20 -2.853 -1.284 -10.864
135 HA GLU 20 HA GLU 20 -2.470 -2.275 -8.856
136 HB2 GLU 20 2HB GLU 20 0.160 -3.110 -10.074
137 HB3 GLU 20 1HB GLU 20 -0.731 -3.928 -8.800
138 HG2 GLU 20 2HG GLU 20 -2.075 -4.984 -10.246
139 HG3 GLU 20 1HG GLU 20 -2.229 -3.574 -11.293
140 H THR 21 H THR 21 -2.290 -0.138 -7.862
141 HA THR 21 HA THR 21 0.329 0.187 -6.579
142 HB THR 21 HB THR 21 -1.294 2.525 -7.610
143 HG1 THR 21 1HG THR 21 -0.361 2.127 -9.431
144 HG21 THR 21 3HG2 THR 21 0.081 3.106 -5.695
145 HG22 THR 21 1HG2 THR 21 0.708 3.840 -7.170
146 HG23 THR 21 2HG2 THR 21 1.496 2.416 -6.489
147 H TYR 22 H TYR 22 0.250 1.142 -4.477
148 HA TYR 22 HA TYR 22 -2.455 1.245 -3.303
149 HB2 TYR 22 2HB TYR 22 0.069 0.203 -1.999
150 HB3 TYR 22 1HB TYR 22 -1.507 0.327 -1.224
151 HD1 TYR 22 1HD TYR 22 0.443 -1.450 -3.793
152 HD2 TYR 22 2HD TYR 22 -3.227 -1.296 -1.642
153 HE1 TYR 22 1HE TYR 22 -0.122 -3.697 -4.607
154 HE2 TYR 22 2HE TYR 22 -3.800 -3.547 -2.451
155 HH TYR 22 HH TYR 22 -2.409 -5.001 -4.990
156 H PHE 23 H PHE 23 -2.919 2.913 -1.911
157 HA PHE 23 HA PHE 23 -0.750 4.822 -1.334
158 HB2 PHE 23 2HB PHE 23 -3.548 5.592 -2.190
159 HB3 PHE 23 1HB PHE 23 -2.224 6.693 -1.827
160 HD1 PHE 23 1HD PHE 23 -3.214 3.956 -4.137
161 HD2 PHE 23 2HD PHE 23 -0.804 7.411 -3.522
162 HE1 PHE 23 1HE PHE 23 -2.528 3.892 -6.494
163 HE2 PHE 23 2HE PHE 23 -0.115 7.353 -5.882
164 HZ PHE 23 HZ PHE 23 -0.977 5.592 -7.373
165 H TYR 24 H TYR 24 -1.133 6.251 0.479
166 HA TYR 24 HA TYR 24 -3.206 5.348 2.352
167 HB2 TYR 24 2HB TYR 24 -0.813 4.368 2.756
168 HB3 TYR 24 1HB TYR 24 -0.462 5.972 3.391
169 HD1 TYR 24 2HD TYR 24 -3.063 3.302 3.713
170 HD2 TYR 24 1HD TYR 24 -0.773 6.316 5.658
171 HE1 TYR 24 2HE TYR 24 -4.061 2.663 5.864
172 HE2 TYR 24 1HE TYR 24 -1.766 5.684 7.816
173 HH TYR 24 HH TYR 24 -3.582 2.824 8.248
174 HA PRO 25 HA PRO 25 -3.869 9.718 2.766
175 HB2 PRO 25 2HB PRO 25 -5.316 9.701 5.070
176 HB3 PRO 25 1HB PRO 25 -5.982 9.225 3.504
177 HG2 PRO 25 2HG PRO 25 -4.953 7.505 5.728
178 HG3 PRO 25 1HG PRO 25 -6.402 7.293 4.727
179 HD2 PRO 25 2HD PRO 25 -4.120 5.919 4.278
180 HD3 PRO 25 1HD PRO 25 -5.208 6.408 2.964
181 H CYS 26 H CYS 26 -2.428 11.173 3.422
182 HA CYS 26 HA CYS 26 -0.963 10.701 5.922
183 HB2 CYS 26 2HB CYS 26 -0.048 11.338 3.387
184 HB3 CYS 26 1HB CYS 26 0.015 12.877 4.241
185 HA PRO 27 HA PRO 27 -3.065 14.066 7.884
186 HB2 PRO 27 2HB PRO 27 -1.181 14.767 9.722
187 HB3 PRO 27 1HB PRO 27 -2.204 13.335 9.876
188 HG2 PRO 27 2HG PRO 27 0.618 13.551 8.908
189 HG3 PRO 27 1HG PRO 27 -0.108 12.339 9.978
190 HD2 PRO 27 2HD PRO 27 0.353 11.862 7.359
191 HD3 PRO 27 1HD PRO 27 -1.030 11.156 8.225
192 H CYS 28 H CYS 28 0.006 14.472 6.313
193 HA CYS 28 HA CYS 28 0.269 17.278 6.728
194 HB2 CYS 28 2HB CYS 28 1.983 17.178 4.986
195 HB3 CYS 28 1HB CYS 28 2.188 15.859 6.132
196 H GLY 29 H GLY 29 -1.385 15.291 4.354
197 HA2 GLY 29 2HA GLY 29 -3.367 16.734 3.485
198 HA3 GLY 29 1HA GLY 29 -2.066 17.663 2.758
199 H ASP 30 H ASP 30 -0.372 15.509 2.052
200 HA ASP 30 HA ASP 30 -1.742 14.586 -0.331
201 HB2 ASP 30 2HB ASP 30 1.057 14.853 0.580
202 HB3 ASP 30 1HB ASP 30 0.745 13.485 -0.482
203 H ASN 31 H ASN 31 -0.651 12.178 -0.915
204 HA ASN 31 HA ASN 31 -1.263 10.406 1.343
205 HB2 ASN 31 2HB ASN 31 -2.362 9.992 -1.446
206 HB3 ASN 31 1HB ASN 31 -2.669 8.989 -0.033
207 HD21 ASN 31 1HD2 ASN 31 -3.182 12.186 -1.417
208 HD22 ASN 31 2HD2 ASN 31 -4.620 12.539 -0.524
209 H PHE 32 H PHE 32 0.072 8.703 1.530
210 HA PHE 32 HA PHE 32 2.464 8.537 0.077
211 HB2 PHE 32 2HB PHE 32 1.058 6.755 2.026
212 HB3 PHE 32 1HB PHE 32 2.442 6.119 1.146
213 HD1 PHE 32 2HD PHE 32 4.613 7.498 1.246
214 HD2 PHE 32 1HD PHE 32 1.380 7.982 3.969
215 HE1 PHE 32 2HE PHE 32 6.139 8.542 2.866
216 HE2 PHE 32 1HE PHE 32 2.902 9.028 5.595
217 HZ PHE 32 HZ PHE 32 5.286 9.309 5.044
218 H SER 33 H SER 33 3.242 6.619 -1.176
219 HA SER 33 HA SER 33 1.177 5.154 -2.620
220 HB2 SER 33 2HB SER 33 2.122 5.794 -4.829
221 HB3 SER 33 1HB SER 33 1.408 7.159 -3.971
222 HG SER 33 HG SER 33 3.424 7.916 -3.497
223 H ILE 34 H ILE 34 1.812 3.182 -3.341
224 HA ILE 34 HA ILE 34 4.619 2.492 -3.553
225 HB ILE 34 HB ILE 34 4.225 2.136 -1.169
226 HG12 ILE 34 2HG1 ILE 34 4.242 -0.669 -2.118
227 HG13 ILE 34 1HG1 ILE 34 5.427 0.399 -2.865
228 HG21 ILE 34 1HG2 ILE 34 1.687 1.520 -1.800
229 HG22 ILE 34 2HG2 ILE 34 2.445 1.084 -0.270
230 HG23 ILE 34 3HG2 ILE 34 2.346 -0.100 -1.573
231 HD11 ILE 34 3HD1 ILE 34 5.422 0.791 -0.031
232 HD12 ILE 34 1HD1 ILE 34 6.729 0.263 -1.089
233 HD13 ILE 34 2HD1 ILE 34 5.612 -0.921 -0.410
234 H THR 35 H THR 35 4.854 1.203 -5.277
235 HA THR 35 HA THR 35 2.586 0.169 -6.668
236 HB THR 35 HB THR 35 4.203 -0.728 -8.269
237 HG1 THR 35 1HG THR 35 6.251 0.173 -6.532
238 HG21 THR 35 3HG2 THR 35 3.775 1.872 -7.938
239 HG22 THR 35 1HG2 THR 35 4.888 1.235 -9.147
240 HG23 THR 35 2HG2 THR 35 5.508 1.839 -7.609
241 H LYS 36 H LYS 36 2.043 -1.992 -7.115
242 HA LYS 36 HA LYS 36 2.161 -3.756 -4.927
243 HB2 LYS 36 2HB LYS 36 0.469 -3.664 -6.882
244 HB3 LYS 36 1HB LYS 36 1.625 -4.669 -7.744
245 HG2 LYS 36 2HG LYS 36 0.729 -5.505 -5.029
246 HG3 LYS 36 1HG LYS 36 -0.347 -5.741 -6.407
247 HD2 LYS 36 2HD LYS 36 2.437 -6.599 -6.827
248 HD3 LYS 36 1HD LYS 36 1.543 -7.519 -5.617
249 HE2 LYS 36 2HE LYS 36 1.318 -8.553 -7.799
250 HE3 LYS 36 1HE LYS 36 -0.237 -7.923 -7.257
251 HZ1 LYS 36 3HZ LYS 36 0.464 -7.485 -9.659
252 HZ2 LYS 36 1HZ LYS 36 1.524 -6.331 -9.019
253 HZ3 LYS 36 2HZ LYS 36 -0.143 -6.179 -8.773
254 H GLU 37 H GLU 37 4.090 -3.527 -7.872
255 HA GLU 37 HA GLU 37 5.455 -5.971 -7.671
256 HB2 GLU 37 2HB GLU 37 5.408 -4.249 -9.604
257 HB3 GLU 37 1HB GLU 37 6.733 -3.471 -8.749
258 HG2 GLU 37 2HG GLU 37 8.162 -5.286 -9.065
259 HG3 GLU 37 1HG GLU 37 6.835 -6.380 -9.456
260 H ASP 38 H ASP 38 6.108 -2.796 -6.245
261 HA ASP 38 HA ASP 38 8.663 -3.252 -5.224
262 HB2 ASP 38 2HB ASP 38 6.404 -1.437 -4.534
263 HB3 ASP 38 1HB ASP 38 7.646 -1.655 -3.306
264 H LEU 39 H LEU 39 5.496 -3.853 -3.726
265 HA LEU 39 HA LEU 39 6.466 -4.856 -1.285
266 HB2 LEU 39 2HB LEU 39 3.891 -5.643 -2.639
267 HB3 LEU 39 1HB LEU 39 4.250 -5.717 -0.923
268 HG LEU 39 HG LEU 39 4.302 -3.087 -2.361
269 HD11 LEU 39 1HD1 LEU 39 2.169 -4.010 -2.953
270 HD12 LEU 39 2HD1 LEU 39 1.939 -2.785 -1.705
271 HD13 LEU 39 3HD1 LEU 39 1.872 -4.498 -1.284
272 HD21 LEU 39 3HD2 LEU 39 5.145 -3.502 0.030
273 HD22 LEU 39 1HD2 LEU 39 3.441 -3.661 0.453
274 HD23 LEU 39 2HD2 LEU 39 4.040 -2.154 -0.242
275 H GLU 40 H GLU 40 5.592 -6.511 -4.311
276 HA GLU 40 HA GLU 40 5.957 -9.141 -3.399
277 HB2 GLU 40 2HB GLU 40 6.251 -7.957 -6.159
278 HB3 GLU 40 1HB GLU 40 6.303 -9.684 -5.829
279 HG2 GLU 40 2HG GLU 40 4.038 -9.609 -4.964
280 HG3 GLU 40 1HG GLU 40 3.981 -7.867 -5.224
281 H ASN 41 H ASN 41 8.272 -6.716 -4.396
282 HA ASN 41 HA ASN 41 10.448 -8.636 -4.556
283 HB2 ASN 41 2HB ASN 41 10.101 -5.747 -5.168
284 HB3 ASN 41 1HB ASN 41 11.717 -6.278 -4.711
285 HD21 ASN 41 1HD2 ASN 41 10.772 -5.273 -7.259
286 HD22 ASN 41 2HD2 ASN 41 11.095 -6.511 -8.421
287 H GLY 42 H GLY 42 9.289 -6.110 -2.368
288 HA2 GLY 42 2HA GLY 42 9.926 -6.919 0.029
289 HA3 GLY 42 1HA GLY 42 11.549 -6.605 -0.565
290 H GLU 43 H GLU 43 10.112 -4.323 -2.190
291 HA GLU 43 HA GLU 43 10.825 -2.238 -0.407
292 HB2 GLU 43 2HB GLU 43 9.525 -2.333 -3.115
293 HB3 GLU 43 1HB GLU 43 9.639 -0.817 -2.231
294 HG2 GLU 43 2HG GLU 43 12.175 -1.548 -2.043
295 HG3 GLU 43 1HG GLU 43 11.760 -2.439 -3.509
296 H ASP 44 H ASP 44 9.493 -2.757 1.409
297 HA ASP 44 HA ASP 44 6.629 -2.219 1.140
298 HB2 ASP 44 2HB ASP 44 6.563 -2.963 3.561
299 HB3 ASP 44 1HB ASP 44 7.069 -4.190 2.405
300 H VAL 45 H VAL 45 8.329 -0.028 0.735
301 HA VAL 45 HA VAL 45 7.686 1.613 3.089
302 HB VAL 45 HB VAL 45 9.770 2.969 1.898
303 HG11 VAL 45 1HG1 VAL 45 9.557 2.919 4.224
304 HG12 VAL 45 2HG1 VAL 45 11.077 2.087 3.896
305 HG13 VAL 45 3HG1 VAL 45 9.626 1.159 4.278
306 HG21 VAL 45 3HG2 VAL 45 10.207 0.830 0.592
307 HG22 VAL 45 1HG2 VAL 45 10.699 0.122 2.132
308 HG23 VAL 45 2HG2 VAL 45 11.569 1.512 1.483
309 H ALA 46 H ALA 46 6.637 3.468 2.712
310 HA ALA 46 HA ALA 46 6.233 4.254 -0.099
311 HB1 ALA 46 1HB ALA 46 4.279 5.301 1.800
312 HB2 ALA 46 2HB ALA 46 4.300 3.539 1.725
313 HB3 ALA 46 3HB ALA 46 4.035 4.482 0.258
314 H THR 47 H THR 47 6.563 6.356 -0.679
315 HA THR 47 HA THR 47 7.573 8.156 1.424
316 HB THR 47 HB THR 47 8.432 8.283 -1.464
317 HG1 THR 47 1HG THR 47 9.166 6.314 -0.929
318 HG21 THR 47 3HG2 THR 47 9.165 10.217 -0.454
319 HG22 THR 47 1HG2 THR 47 10.547 9.141 -0.254
320 HG23 THR 47 2HG2 THR 47 9.449 9.427 1.097
321 H CYS 48 H CYS 48 6.668 10.116 1.600
322 HA CYS 48 HA CYS 48 4.464 10.767 -0.190
323 HB2 CYS 48 2HB CYS 48 4.593 10.919 2.484
324 HB3 CYS 48 1HB CYS 48 5.152 12.542 2.095
325 HA PRO 49 HA PRO 49 6.943 13.777 -2.332
326 HB2 PRO 49 2HB PRO 49 5.015 14.920 -3.814
327 HB3 PRO 49 1HB PRO 49 5.587 13.277 -4.127
328 HG2 PRO 49 2HG PRO 49 3.121 14.186 -2.703
329 HG3 PRO 49 1HG PRO 49 3.324 12.851 -3.849
330 HD2 PRO 49 2HD PRO 49 3.236 12.543 -1.123
331 HD3 PRO 49 1HD PRO 49 4.049 11.414 -2.225
332 H SER 50 H SER 50 4.740 14.518 0.107
333 HA SER 50 HA SER 50 5.214 17.407 -0.167
334 HB2 SER 50 2HB SER 50 2.818 16.198 0.132
335 HB3 SER 50 1HB SER 50 3.240 16.446 1.827
336 HG SER 50 HG SER 50 2.851 18.490 1.584
337 H CYS 51 H CYS 51 4.697 15.105 2.533
338 HA CYS 51 HA CYS 51 6.376 16.683 4.262
339 HB2 CYS 51 2HB CYS 51 5.849 15.048 5.975
340 HB3 CYS 51 1HB CYS 51 4.382 15.512 5.119
341 H SER 52 H SER 52 6.820 13.910 2.213
342 HA SER 52 HA SER 52 8.653 12.689 1.659
343 HB2 SER 52 2HB SER 52 10.462 14.444 3.275
344 HB3 SER 52 1HB SER 52 10.731 13.720 1.691
345 HG SER 52 HG SER 52 9.288 15.241 0.817
346 H LEU 53 H LEU 53 7.151 11.894 3.886
347 HA LEU 53 HA LEU 53 9.095 10.986 5.877
348 HB2 LEU 53 2HB LEU 53 6.108 11.137 5.758
349 HB3 LEU 53 1HB LEU 53 6.860 10.003 6.861
350 HG LEU 53 HG LEU 53 7.641 12.898 6.903
351 HD11 LEU 53 1HD1 LEU 53 5.872 12.743 8.932
352 HD12 LEU 53 2HD1 LEU 53 5.082 11.708 7.742
353 HD13 LEU 53 3HD1 LEU 53 5.484 13.375 7.333
354 HD21 LEU 53 3HD2 LEU 53 7.726 12.075 9.436
355 HD22 LEU 53 1HD2 LEU 53 9.072 11.843 8.318
356 HD23 LEU 53 2HD2 LEU 53 7.955 10.517 8.641
357 H ILE 54 H ILE 54 8.376 8.619 6.720
358 HA ILE 54 HA ILE 54 8.138 6.880 4.354
359 HB ILE 54 HB ILE 54 9.739 5.301 5.368
360 HG12 ILE 54 2HG1 ILE 54 10.374 7.526 7.316
361 HG13 ILE 54 1HG1 ILE 54 9.430 6.099 7.723
362 HG21 ILE 54 1HG2 ILE 54 10.317 7.307 3.782
363 HG22 ILE 54 2HG2 ILE 54 11.595 6.310 4.480
364 HG23 ILE 54 3HG2 ILE 54 11.217 7.881 5.186
365 HD11 ILE 54 3HD1 ILE 54 11.602 5.674 8.490
366 HD12 ILE 54 1HD1 ILE 54 12.333 6.263 6.997
367 HD13 ILE 54 2HD1 ILE 54 11.441 4.742 7.000
368 H ILE 55 H ILE 55 7.003 4.976 4.609
369 HA ILE 55 HA ILE 55 5.920 4.349 7.258
370 HB ILE 55 HB ILE 55 3.657 3.982 6.290
371 HG12 ILE 55 2HG1 ILE 55 4.360 5.764 3.998
372 HG13 ILE 55 1HG1 ILE 55 4.744 4.052 3.870
373 HG21 ILE 55 1HG2 ILE 55 4.727 6.797 6.164
374 HG22 ILE 55 2HG2 ILE 55 4.084 5.969 7.582
375 HG23 ILE 55 3HG2 ILE 55 3.019 6.365 6.233
376 HD11 ILE 55 3HD1 ILE 55 2.147 4.038 4.767
377 HD12 ILE 55 1HD1 ILE 55 2.676 3.810 3.100
378 HD13 ILE 55 2HD1 ILE 55 2.192 5.409 3.658
379 H LYS 56 H LYS 56 5.462 2.184 7.603
380 HA LYS 56 HA LYS 56 6.586 0.365 5.620
381 HB2 LYS 56 2HB LYS 56 6.957 0.416 8.268
382 HB3 LYS 56 1HB LYS 56 5.553 -0.641 8.221
383 HG2 LYS 56 2HG LYS 56 8.100 -1.114 6.682
384 HG3 LYS 56 1HG LYS 56 7.712 -1.846 8.240
385 HD2 LYS 56 2HD LYS 56 5.509 -2.550 6.934
386 HD3 LYS 56 1HD LYS 56 6.583 -2.386 5.543
387 HE2 LYS 56 2HE LYS 56 8.207 -3.848 6.922
388 HE3 LYS 56 1HE LYS 56 6.780 -4.259 7.874
389 HZ1 LYS 56 3HZ LYS 56 5.948 -4.596 5.308
390 HZ2 LYS 56 1HZ LYS 56 6.456 -5.832 6.348
391 HZ3 LYS 56 2HZ LYS 56 7.547 -5.147 5.252
392 H VAL 57 H VAL 57 5.522 -1.036 4.458
393 HA VAL 57 HA VAL 57 2.608 -1.142 4.782
394 HB VAL 57 HB VAL 57 3.806 -2.197 2.286
395 HG11 VAL 57 1HG1 VAL 57 1.422 -2.131 2.558
396 HG12 VAL 57 2HG1 VAL 57 1.877 -0.933 1.345
397 HG13 VAL 57 3HG1 VAL 57 1.478 -0.422 2.986
398 HG21 VAL 57 3HG2 VAL 57 3.739 0.775 2.822
399 HG22 VAL 57 1HG2 VAL 57 4.134 -0.007 1.292
400 HG23 VAL 57 2HG2 VAL 57 5.200 -0.200 2.681
401 H ILE 58 H ILE 58 1.856 -2.929 5.715
402 HA ILE 58 HA ILE 58 3.457 -5.376 5.659
403 HB ILE 58 HB ILE 58 0.894 -4.902 7.181
404 HG12 ILE 58 2HG1 ILE 58 2.626 -3.252 7.826
405 HG13 ILE 58 1HG1 ILE 58 2.264 -4.381 9.126
406 HG21 ILE 58 1HG2 ILE 58 2.921 -7.073 7.080
407 HG22 ILE 58 2HG2 ILE 58 1.169 -7.166 7.250
408 HG23 ILE 58 3HG2 ILE 58 2.164 -6.711 8.631
409 HD11 ILE 58 3HD1 ILE 58 4.297 -5.485 8.893
410 HD12 ILE 58 1HD1 ILE 58 4.705 -3.782 8.691
411 HD13 ILE 58 2HD1 ILE 58 4.574 -4.830 7.279
412 H TYR 59 H TYR 59 2.875 -7.205 4.615
413 HA TYR 59 HA TYR 59 0.191 -7.566 3.578
414 HB2 TYR 59 2HB TYR 59 1.132 -7.926 1.222
415 HB3 TYR 59 1HB TYR 59 1.008 -6.257 1.772
416 HD1 TYR 59 2HD TYR 59 3.013 -5.001 2.393
417 HD2 TYR 59 1HD TYR 59 3.286 -8.946 0.830
418 HE1 TYR 59 2HE TYR 59 5.400 -4.661 1.971
419 HE2 TYR 59 1HE TYR 59 5.684 -8.622 0.409
420 HH TYR 59 HH TYR 59 7.489 -7.271 0.928
421 H ASP 60 H ASP 60 0.266 -9.658 2.073
422 HA ASP 60 HA ASP 60 1.528 -11.705 3.703
423 HB2 ASP 60 2HB ASP 60 -0.915 -11.642 2.591
424 HB3 ASP 60 1HB ASP 60 -0.043 -12.447 1.289
425 H LYS 61 H LYS 61 3.661 -11.853 3.236
426 HA LYS 61 HA LYS 61 4.831 -11.508 0.710
427 HB2 LYS 61 2HB LYS 61 5.709 -12.703 3.293
428 HB3 LYS 61 1HB LYS 61 6.663 -13.061 1.860
429 HG2 LYS 61 2HG LYS 61 6.451 -10.406 1.588
430 HG3 LYS 61 1HG LYS 61 6.340 -10.531 3.344
431 HD2 LYS 61 2HD LYS 61 8.419 -12.208 2.816
432 HD3 LYS 61 1HD LYS 61 8.623 -10.997 1.550
433 HE2 LYS 61 2HE LYS 61 9.896 -10.333 3.481
434 HE3 LYS 61 1HE LYS 61 8.534 -9.231 3.286
435 HZ1 LYS 61 3HZ LYS 61 9.145 -10.314 5.601
436 HZ2 LYS 61 1HZ LYS 61 8.141 -11.549 5.022
437 HZ3 LYS 61 2HZ LYS 61 7.547 -9.972 5.170
438 H ASP 62 H ASP 62 3.345 -14.310 2.203
439 HA ASP 62 HA ASP 62 4.408 -16.288 0.484
440 HB2 ASP 62 2HB ASP 62 1.905 -16.172 2.161
441 HB3 ASP 62 1HB ASP 62 2.311 -17.580 1.186
442 H GLN 63 H GLN 63 1.684 -14.087 0.202
443 HA GLN 63 HA GLN 63 0.753 -15.356 -2.245
444 HB2 GLN 63 2HB GLN 63 -0.223 -12.985 -0.655
445 HB3 GLN 63 1HB GLN 63 -0.925 -13.448 -2.198
446 HG2 GLN 63 2HG GLN 63 -1.150 -15.786 -1.019
447 HG3 GLN 63 1HG GLN 63 -1.070 -14.804 0.442
448 HE21 GLN 63 1HE2 GLN 63 -3.269 -16.392 -0.724
449 HE22 GLN 63 2HE2 GLN 63 -4.590 -15.293 -0.890
450 H PHE 64 H PHE 64 2.181 -12.258 -1.233
451 HA PHE 64 HA PHE 64 2.263 -11.111 -3.822
452 HB2 PHE 64 2HB PHE 64 3.475 -10.487 -1.174
453 HB3 PHE 64 1HB PHE 64 4.215 -9.756 -2.594
454 HD1 PHE 64 1HD PHE 64 0.839 -10.268 -1.084
455 HD2 PHE 64 2HD PHE 64 3.427 -7.720 -3.303
456 HE1 PHE 64 1HE PHE 64 -0.890 -8.517 -1.083
457 HE2 PHE 64 2HE PHE 64 1.704 -5.966 -3.304
458 HZ PHE 64 HZ PHE 64 -0.458 -6.361 -2.194
459 H VAL 65 H VAL 65 4.879 -12.549 -1.851
460 HA VAL 65 HA VAL 65 6.680 -12.574 -4.108
461 HB VAL 65 HB VAL 65 7.092 -13.927 -1.438
462 HG11 VAL 65 1HG1 VAL 65 9.314 -12.749 -3.002
463 HG12 VAL 65 2HG1 VAL 65 8.580 -14.222 -3.637
464 HG13 VAL 65 3HG1 VAL 65 9.266 -14.209 -2.013
465 HG21 VAL 65 3HG2 VAL 65 6.845 -11.822 -0.634
466 HG22 VAL 65 1HG2 VAL 65 7.198 -11.065 -2.186
467 HG23 VAL 65 2HG2 VAL 65 8.514 -11.675 -1.183
468 H SER 66 H SER 66 5.456 -13.891 -5.562
469 HA SER 66 HA SER 66 5.125 -16.704 -4.834
470 HB2 SER 66 2HB SER 66 4.050 -16.727 -7.215
471 HB3 SER 66 1HB SER 66 3.179 -15.963 -5.886
472 HG SER 66 HG SER 66 3.291 -14.153 -6.933
473 H GLY 67 H GLY 67 7.291 -17.398 -4.852
474 HA2 GLY 67 2HA GLY 67 8.762 -17.147 -7.378
475 HA3 GLY 67 1HA GLY 67 9.434 -17.669 -5.842
476 H GLU 68 H GLU 68 8.158 -19.761 -5.014
477 HA GLU 68 HA GLU 68 8.445 -21.698 -7.191
478 HB2 GLU 68 2HB GLU 68 9.611 -21.736 -4.794
479 HB3 GLU 68 1HB GLU 68 8.124 -22.567 -4.358
480 HG2 GLU 68 2HG GLU 68 9.227 -24.405 -4.979
481 HG3 GLU 68 1HG GLU 68 8.827 -23.894 -6.619
482 H THR 69 H THR 69 5.986 -20.019 -6.620
483 HA THR 69 HA THR 69 4.078 -22.174 -6.929
484 HB THR 69 HB THR 69 3.688 -20.139 -4.720
485 HG1 THR 69 1HG THR 69 4.572 -22.814 -4.672
486 HG21 THR 69 3HG2 THR 69 1.955 -22.216 -5.889
487 HG22 THR 69 1HG2 THR 69 1.541 -20.690 -5.110
488 HG23 THR 69 2HG2 THR 69 1.976 -22.090 -4.130
489 H VAL 70 H VAL 70 2.912 -21.621 -8.649
490 HA VAL 70 HA VAL 70 2.031 -18.834 -8.924
491 HB VAL 70 HB VAL 70 3.949 -19.137 -10.420
492 HG11 VAL 70 1HG1 VAL 70 2.486 -20.996 -12.196
493 HG12 VAL 70 2HG1 VAL 70 3.210 -21.678 -10.740
494 HG13 VAL 70 3HG1 VAL 70 4.218 -20.823 -11.907
495 HG21 VAL 70 3HG2 VAL 70 2.806 -18.494 -12.557
496 HG22 VAL 70 1HG2 VAL 70 2.310 -17.568 -11.141
497 HG23 VAL 70 2HG2 VAL 70 1.270 -18.847 -11.766
498 HA PRO 71 HA PRO 71 -1.892 -20.833 -9.566
499 HB2 PRO 71 2HB PRO 71 -3.344 -18.661 -10.232
500 HB3 PRO 71 1HB PRO 71 -2.764 -18.936 -8.584
501 HG2 PRO 71 2HG PRO 71 -1.644 -17.159 -10.716
502 HG3 PRO 71 1HG PRO 71 -1.849 -16.838 -8.985
503 HD2 PRO 71 2HD PRO 71 0.525 -17.572 -10.115
504 HD3 PRO 71 1HD PRO 71 0.093 -17.919 -8.430
505 H ALA 72 H ALA 72 -3.602 -21.048 -11.255
506 HA ALA 72 HA ALA 72 -2.962 -20.210 -13.942
507 HB1 ALA 72 1HB ALA 72 -2.469 -22.996 -13.016
508 HB2 ALA 72 2HB ALA 72 -1.556 -22.002 -14.150
509 HB3 ALA 72 3HB ALA 72 -3.077 -22.740 -14.652
510 HA PRO 73 HA PRO 73 -7.328 -20.272 -14.566
511 HB2 PRO 73 2HB PRO 73 -6.763 -21.523 -17.207
512 HB3 PRO 73 1HB PRO 73 -7.659 -20.048 -16.827
513 HG2 PRO 73 2HG PRO 73 -5.210 -19.923 -17.860
514 HG3 PRO 73 1HG PRO 73 -5.734 -18.775 -16.615
515 HD2 PRO 73 2HD PRO 73 -3.943 -21.154 -16.370
516 HD3 PRO 73 1HD PRO 73 -3.844 -19.575 -15.563
517 H SER 74 H SER 74 -8.956 -21.624 -14.053
518 HA SER 74 HA SER 74 -8.859 -24.431 -14.822
519 HB2 SER 74 2HB SER 74 -9.292 -23.698 -11.920
520 HB3 SER 74 1HB SER 74 -9.085 -25.307 -12.611
521 HG SER 74 HG SER 74 -7.198 -24.280 -11.542
522 H ALA 75 H ALA 75 -10.652 -23.917 -16.133
523 HA ALA 75 HA ALA 75 -13.150 -23.478 -14.631
524 HB1 ALA 75 1HB ALA 75 -12.428 -22.417 -17.359
525 HB2 ALA 75 2HB ALA 75 -12.698 -21.483 -15.887
526 HB3 ALA 75 3HB ALA 75 -14.040 -22.338 -16.649
527 H ASN 76 H ASN 76 -15.064 -24.458 -15.523
528 HA ASN 76 HA ASN 76 -16.267 -26.198 -16.349
529 HB2 ASN 76 2HB ASN 76 -15.000 -25.181 -18.500
530 HB3 ASN 76 1HB ASN 76 -14.336 -26.811 -18.518
531 HD21 ASN 76 1HD2 ASN 76 -16.066 -28.556 -18.185
532 HD22 ASN 76 2HD2 ASN 76 -17.514 -28.357 -19.107
533 H LYS 77 H LYS 77 -13.983 -26.682 -14.458
534 HA LYS 77 HA LYS 77 -14.160 -29.522 -14.417
535 HB2 LYS 77 2HB LYS 77 -11.770 -28.266 -15.620
536 HB3 LYS 77 1HB LYS 77 -11.441 -29.506 -14.418
537 HG2 LYS 77 2HG LYS 77 -13.290 -30.781 -15.887
538 HG3 LYS 77 1HG LYS 77 -12.580 -29.742 -17.124
539 HD2 LYS 77 2HD LYS 77 -11.084 -31.415 -17.318
540 HD3 LYS 77 1HD LYS 77 -10.346 -30.658 -15.905
541 HE2 LYS 77 2HE LYS 77 -12.142 -32.228 -14.680
542 HE3 LYS 77 1HE LYS 77 -11.869 -33.184 -16.136
543 HZ1 LYS 77 3HZ LYS 77 -10.254 -33.982 -14.743
544 HZ2 LYS 77 1HZ LYS 77 -9.988 -32.492 -13.988
545 HZ3 LYS 77 2HZ LYS 77 -9.385 -32.771 -15.544
546 H GLU 78 H GLU 78 -15.026 -28.609 -12.367
547 HA GLU 78 HA GLU 78 -12.915 -28.607 -10.353
548 HB2 GLU 78 2HB GLU 78 -14.917 -26.383 -10.716
549 HB3 GLU 78 1HB GLU 78 -14.121 -26.679 -9.178
550 HG2 GLU 78 2HG GLU 78 -12.002 -26.611 -10.885
551 HG3 GLU 78 1HG GLU 78 -13.098 -25.447 -11.625
552 H LEU 79 H LEU 79 -13.689 -30.661 -9.794
553 HA LEU 79 HA LEU 79 -16.175 -30.597 -8.231
554 HB2 LEU 79 2HB LEU 79 -16.664 -32.917 -8.983
555 HB3 LEU 79 1HB LEU 79 -16.800 -31.711 -10.248
556 HG LEU 79 HG LEU 79 -14.249 -33.246 -9.966
557 HD11 LEU 79 1HD1 LEU 79 -16.341 -34.342 -11.755
558 HD12 LEU 79 2HD1 LEU 79 -16.481 -34.691 -10.031
559 HD13 LEU 79 3HD1 LEU 79 -15.026 -35.159 -10.911
560 HD21 LEU 79 3HD2 LEU 79 -15.650 -31.633 -12.017
561 HD22 LEU 79 1HD2 LEU 79 -14.697 -33.003 -12.585
562 HD23 LEU 79 2HD2 LEU 79 -13.933 -31.734 -11.629
563 H VAL 80 H VAL 80 -13.443 -30.323 -7.364
564 HA VAL 80 HA VAL 80 -12.904 -32.873 -6.026
565 HB VAL 80 HB VAL 80 -11.055 -31.725 -7.234
566 HG11 VAL 80 1HG1 VAL 80 -10.343 -29.636 -6.794
567 HG12 VAL 80 2HG1 VAL 80 -10.648 -29.782 -5.062
568 HG13 VAL 80 3HG1 VAL 80 -11.977 -29.432 -6.166
569 HG21 VAL 80 3HG2 VAL 80 -10.898 -33.221 -5.062
570 HG22 VAL 80 1HG2 VAL 80 -10.254 -31.734 -4.368
571 HG23 VAL 80 2HG2 VAL 80 -9.465 -32.469 -5.764
572 H LYS 81 H LYS 81 -15.088 -30.950 -5.296
573 HA LYS 81 HA LYS 81 -14.346 -30.603 -2.469
574 HB2 LYS 81 2HB LYS 81 -15.605 -28.666 -4.352
575 HB3 LYS 81 1HB LYS 81 -16.183 -28.677 -2.693
576 HG2 LYS 81 2HG LYS 81 -14.533 -27.067 -2.649
577 HG3 LYS 81 1HG LYS 81 -13.690 -28.499 -2.056
578 HD2 LYS 81 2HD LYS 81 -13.245 -28.742 -4.707
579 HD3 LYS 81 1HD LYS 81 -13.337 -26.986 -4.566
580 HE2 LYS 81 2HE LYS 81 -11.568 -28.750 -2.876
581 HE3 LYS 81 1HE LYS 81 -11.036 -27.898 -4.324
582 HZ1 LYS 81 3HZ LYS 81 -11.583 -25.804 -3.256
583 HZ2 LYS 81 1HZ LYS 81 -10.485 -26.676 -2.310
584 HZ3 LYS 81 2HZ LYS 81 -12.117 -26.614 -1.870
585 H LEU 82 H LEU 82 -15.696 -32.834 -3.796
586 HA LEU 82 HA LEU 82 -18.303 -32.685 -2.427
587 HB2 LEU 82 2HB LEU 82 -18.073 -32.895 -5.086
588 HB3 LEU 82 1HB LEU 82 -17.923 -34.593 -4.679
589 HG LEU 82 HG LEU 82 -20.110 -34.290 -3.365
590 HD11 LEU 82 1HD1 LEU 82 -21.381 -32.432 -3.610
591 HD12 LEU 82 2HD1 LEU 82 -20.758 -32.080 -5.221
592 HD13 LEU 82 3HD1 LEU 82 -19.800 -31.677 -3.797
593 HD21 LEU 82 3HD2 LEU 82 -21.362 -34.211 -5.710
594 HD22 LEU 82 1HD2 LEU 82 -20.422 -35.609 -5.188
595 HD23 LEU 82 2HD2 LEU 82 -19.715 -34.435 -6.299
596 H GLU 83 H GLU 83 -15.754 -33.556 -1.329
597 HA GLU 83 HA GLU 83 -15.934 -36.453 -1.160
598 HB2 GLU 83 2HB GLU 83 -13.757 -35.077 -1.271
599 HB3 GLU 83 1HB GLU 83 -14.059 -34.704 0.419
600 HG2 GLU 83 2HG GLU 83 -14.331 -37.420 0.375
601 HG3 GLU 83 1HG GLU 83 -13.062 -37.150 -0.818
602 H HIS 84 H HIS 84 -15.919 -33.732 1.158
603 HA HIS 84 HA HIS 84 -16.862 -33.456 3.204
604 HB2 HIS 84 2HB HIS 84 -18.868 -34.339 1.594
605 HB3 HIS 84 1HB HIS 84 -18.896 -35.572 2.849
606 HD1 HIS 84 1HD HIS 84 -19.946 -32.141 2.129
607 HD2 HIS 84 2HD HIS 84 -19.363 -34.494 5.503
608 HE1 HIS 84 1HE HIS 84 -21.140 -30.949 3.992
609 HE2 HIS 84 2HE HIS 84 -20.852 -32.440 6.004
Start of MODEL 9
1 H1 MET 1 1HT MET 1 20.128 3.551 7.904
2 H2 MET 1 2HT MET 1 20.253 1.854 8.126
3 H3 MET 1 3HT MET 1 20.100 2.890 9.486
4 HA MET 1 HA MET 1 18.074 2.542 7.372
5 HB2 MET 1 2HB MET 1 18.313 1.377 10.157
6 HB3 MET 1 1HB MET 1 16.832 1.347 9.210
7 HG2 MET 1 2HG MET 1 18.135 0.112 7.438
8 HG3 MET 1 1HG MET 1 19.428 -0.046 8.626
9 HE1 MET 1 2HE MET 1 17.932 -3.653 8.530
10 HE2 MET 1 3HE MET 1 19.439 -2.752 8.682
11 HE3 MET 1 1HE MET 1 18.412 -2.518 7.269
12 H ALA 2 H ALA 2 16.058 3.566 7.864
13 HA ALA 2 HA ALA 2 16.356 5.903 9.630
14 HB1 ALA 2 1HB ALA 2 15.902 6.852 7.610
15 HB2 ALA 2 2HB ALA 2 14.248 6.605 8.172
16 HB3 ALA 2 3HB ALA 2 14.975 5.465 7.038
17 H VAL 3 H VAL 3 14.643 6.540 10.989
18 HA VAL 3 HA VAL 3 13.198 4.361 12.157
19 HB VAL 3 HB VAL 3 12.851 7.305 12.765
20 HG11 VAL 3 1HG1 VAL 3 11.109 6.309 13.864
21 HG12 VAL 3 2HG1 VAL 3 12.370 6.134 15.084
22 HG13 VAL 3 3HG1 VAL 3 11.954 4.771 14.044
23 HG21 VAL 3 3HG2 VAL 3 15.201 6.708 12.995
24 HG22 VAL 3 1HG2 VAL 3 14.768 5.325 13.999
25 HG23 VAL 3 2HG2 VAL 3 14.471 6.963 14.580
26 H PHE 4 H PHE 4 11.481 3.533 11.144
27 HA PHE 4 HA PHE 4 9.870 4.900 9.278
28 HB2 PHE 4 2HB PHE 4 9.768 2.275 10.666
29 HB3 PHE 4 1HB PHE 4 8.249 2.873 10.005
30 HD1 PHE 4 1HD PHE 4 11.662 1.785 9.184
31 HD2 PHE 4 2HD PHE 4 7.871 2.968 7.650
32 HE1 PHE 4 1HE PHE 4 12.305 0.955 6.957
33 HE2 PHE 4 2HE PHE 4 8.510 2.141 5.424
34 HZ PHE 4 HZ PHE 4 10.729 1.133 5.075
35 H HIS 5 H HIS 5 7.860 5.846 9.426
36 HA HIS 5 HA HIS 5 7.200 7.087 11.895
37 HB2 HIS 5 2HB HIS 5 6.722 7.839 9.413
38 HB3 HIS 5 1HB HIS 5 5.232 6.929 9.631
39 HD1 HIS 5 1HD HIS 5 6.970 9.256 12.091
40 HD2 HIS 5 2HD HIS 5 3.391 8.883 10.012
41 HE1 HIS 5 1HE HIS 5 5.516 11.134 12.913
42 HE2 HIS 5 2HE HIS 5 3.330 10.848 11.692
43 H ASP 6 H ASP 6 5.198 4.891 9.900
44 HA ASP 6 HA ASP 6 4.474 3.318 12.211
45 HB2 ASP 6 2HB ASP 6 2.616 5.329 11.023
46 HB3 ASP 6 1HB ASP 6 1.939 3.773 11.484
47 H GLU 7 H GLU 7 3.464 1.343 11.664
48 HA GLU 7 HA GLU 7 3.687 0.644 8.820
49 HB2 GLU 7 2HB GLU 7 3.396 -1.291 11.119
50 HB3 GLU 7 1HB GLU 7 3.949 -1.628 9.485
51 HG2 GLU 7 2HG GLU 7 5.969 -1.581 10.461
52 HG3 GLU 7 1HG GLU 7 5.805 0.157 10.221
53 H VAL 8 H VAL 8 1.960 -0.014 7.650
54 HA VAL 8 HA VAL 8 -0.575 -0.506 9.063
55 HB VAL 8 HB VAL 8 -0.399 1.115 6.518
56 HG11 VAL 8 1HG1 VAL 8 -2.503 -0.221 7.153
57 HG12 VAL 8 2HG1 VAL 8 -2.692 1.481 6.737
58 HG13 VAL 8 3HG1 VAL 8 -2.709 0.981 8.426
59 HG21 VAL 8 3HG2 VAL 8 0.649 2.372 8.322
60 HG22 VAL 8 1HG2 VAL 8 -0.759 2.097 9.350
61 HG23 VAL 8 2HG2 VAL 8 -0.907 3.082 7.894
62 H GLU 9 H GLU 9 -1.891 -2.048 8.188
63 HA GLU 9 HA GLU 9 -0.715 -3.999 6.504
64 HB2 GLU 9 2HB GLU 9 -3.604 -3.669 7.346
65 HB3 GLU 9 1HB GLU 9 -2.927 -5.103 6.587
66 HG2 GLU 9 2HG GLU 9 -1.675 -5.661 8.475
67 HG3 GLU 9 1HG GLU 9 -1.828 -4.045 9.165
68 H ILE 10 H ILE 10 -1.012 -4.482 4.380
69 HA ILE 10 HA ILE 10 -1.552 -2.453 2.553
70 HB ILE 10 HB ILE 10 -0.226 -4.483 2.050
71 HG12 ILE 10 2HG1 ILE 10 -1.229 -4.848 -0.276
72 HG13 ILE 10 1HG1 ILE 10 -2.497 -3.729 0.215
73 HG21 ILE 10 1HG2 ILE 10 -1.663 -6.158 3.065
74 HG22 ILE 10 2HG2 ILE 10 -1.358 -6.543 1.372
75 HG23 ILE 10 3HG2 ILE 10 -2.906 -5.849 1.853
76 HD11 ILE 10 3HD1 ILE 10 -0.311 -2.951 -1.066
77 HD12 ILE 10 1HD1 ILE 10 0.299 -2.843 0.584
78 HD13 ILE 10 2HD1 ILE 10 -1.133 -1.929 0.113
79 H GLU 11 H GLU 11 -3.739 -4.757 4.043
80 HA GLU 11 HA GLU 11 -5.901 -4.596 2.269
81 HB2 GLU 11 2HB GLU 11 -5.663 -5.186 5.201
82 HB3 GLU 11 1HB GLU 11 -7.253 -5.031 4.463
83 HG2 GLU 11 2HG GLU 11 -6.931 -6.892 3.094
84 HG3 GLU 11 1HG GLU 11 -5.184 -6.875 3.328
85 H ASP 12 H ASP 12 -4.836 -2.416 4.820
86 HA ASP 12 HA ASP 12 -7.194 -0.795 4.822
87 HB2 ASP 12 2HB ASP 12 -5.243 -1.049 6.602
88 HB3 ASP 12 1HB ASP 12 -4.556 0.297 5.699
89 H PHE 13 H PHE 13 -4.199 -0.815 3.004
90 HA PHE 13 HA PHE 13 -4.252 1.810 1.986
91 HB2 PHE 13 2HB PHE 13 -2.934 -0.750 1.214
92 HB3 PHE 13 1HB PHE 13 -3.016 0.511 -0.007
93 HD1 PHE 13 2HD PHE 13 -2.140 0.182 3.616
94 HD2 PHE 13 1HD PHE 13 -1.219 1.910 -0.164
95 HE1 PHE 13 2HE PHE 13 -0.147 1.247 4.589
96 HE2 PHE 13 1HE PHE 13 0.776 2.972 0.802
97 HZ PHE 13 HZ PHE 13 1.314 2.642 3.182
98 H GLN 14 H GLN 14 -4.627 2.374 -0.338
99 HA GLN 14 HA GLN 14 -7.174 1.218 -1.219
100 HB2 GLN 14 2HB GLN 14 -6.497 3.822 -0.883
101 HB3 GLN 14 1HB GLN 14 -6.099 3.619 -2.583
102 HG2 GLN 14 2HG GLN 14 -8.771 3.102 -1.296
103 HG3 GLN 14 1HG GLN 14 -8.348 4.456 -2.339
104 HE21 GLN 14 1HE2 GLN 14 -9.407 1.216 -2.191
105 HE22 GLN 14 2HE2 GLN 14 -9.494 0.923 -3.892
106 H TYR 15 H TYR 15 -6.976 -0.380 -2.668
107 HA TYR 15 HA TYR 15 -4.680 -0.774 -4.282
108 HB2 TYR 15 2HB TYR 15 -6.127 -2.646 -3.629
109 HB3 TYR 15 1HB TYR 15 -7.451 -1.968 -4.572
110 HD1 TYR 15 1HD TYR 15 -3.901 -3.065 -5.009
111 HD2 TYR 15 2HD TYR 15 -7.784 -2.769 -6.724
112 HE1 TYR 15 1HE TYR 15 -3.114 -4.294 -6.984
113 HE2 TYR 15 2HE TYR 15 -7.008 -4.002 -8.704
114 HH TYR 15 HH TYR 15 -4.158 -5.734 -8.804
115 H ASP 16 H ASP 16 -4.113 0.234 -6.076
116 HA ASP 16 HA ASP 16 -6.134 1.751 -7.568
117 HB2 ASP 16 2HB ASP 16 -3.838 2.697 -6.602
118 HB3 ASP 16 1HB ASP 16 -3.211 2.040 -8.110
119 H GLU 17 H GLU 17 -6.980 -0.043 -8.703
120 HA GLU 17 HA GLU 17 -5.541 -1.914 -10.177
121 HB2 GLU 17 2HB GLU 17 -7.644 -2.062 -11.602
122 HB3 GLU 17 1HB GLU 17 -7.842 -2.335 -9.877
123 HG2 GLU 17 2HG GLU 17 -8.855 -0.245 -9.549
124 HG3 GLU 17 1HG GLU 17 -8.322 0.353 -11.122
125 H ASP 18 H ASP 18 -6.304 1.410 -10.951
126 HA ASP 18 HA ASP 18 -6.084 1.534 -13.674
127 HB2 ASP 18 2HB ASP 18 -4.859 3.496 -11.719
128 HB3 ASP 18 1HB ASP 18 -5.194 3.809 -13.416
129 H SER 19 H SER 19 -3.396 1.316 -11.343
130 HA SER 19 HA SER 19 -1.686 0.327 -13.480
131 HB2 SER 19 2HB SER 19 -1.553 2.979 -12.978
132 HB3 SER 19 1HB SER 19 -0.371 2.391 -11.809
133 HG SER 19 HG SER 19 0.560 2.844 -13.861
134 H GLU 20 H GLU 20 -2.886 -0.787 -11.009
135 HA GLU 20 HA GLU 20 -2.362 -2.043 -9.179
136 HB2 GLU 20 2HB GLU 20 0.205 -2.567 -10.679
137 HB3 GLU 20 1HB GLU 20 -0.575 -3.619 -9.506
138 HG2 GLU 20 2HG GLU 20 -2.509 -3.800 -11.080
139 HG3 GLU 20 1HG GLU 20 -1.544 -2.922 -12.265
140 H THR 21 H THR 21 -2.123 0.171 -8.096
141 HA THR 21 HA THR 21 0.462 0.206 -6.702
142 HB THR 21 HB THR 21 -0.936 2.722 -7.646
143 HG1 THR 21 1HG THR 21 1.224 1.278 -8.759
144 HG21 THR 21 3HG2 THR 21 1.095 3.878 -7.056
145 HG22 THR 21 1HG2 THR 21 1.831 2.367 -6.517
146 HG23 THR 21 2HG2 THR 21 0.451 3.036 -5.648
147 H TYR 22 H TYR 22 0.364 1.134 -4.554
148 HA TYR 22 HA TYR 22 -2.382 1.264 -3.475
149 HB2 TYR 22 2HB TYR 22 0.100 0.226 -2.090
150 HB3 TYR 22 1HB TYR 22 -1.494 0.363 -1.358
151 HD1 TYR 22 1HD TYR 22 0.433 -1.379 -3.997
152 HD2 TYR 22 2HD TYR 22 -3.120 -1.328 -1.656
153 HE1 TYR 22 1HE TYR 22 -0.111 -3.641 -4.783
154 HE2 TYR 22 2HE TYR 22 -3.673 -3.592 -2.436
155 HH TYR 22 HH TYR 22 -1.977 -5.658 -3.413
156 H PHE 23 H PHE 23 -2.898 2.933 -2.107
157 HA PHE 23 HA PHE 23 -0.754 4.856 -1.475
158 HB2 PHE 23 2HB PHE 23 -3.551 5.585 -2.379
159 HB3 PHE 23 1HB PHE 23 -2.259 6.709 -1.975
160 HD1 PHE 23 2HD PHE 23 -2.995 3.882 -4.295
161 HD2 PHE 23 1HD PHE 23 -0.955 7.567 -3.676
162 HE1 PHE 23 2HE PHE 23 -2.250 3.859 -6.636
163 HE2 PHE 23 1HE PHE 23 -0.209 7.549 -6.021
164 HZ PHE 23 HZ PHE 23 -0.855 5.693 -7.503
165 H TYR 24 H TYR 24 -1.167 6.260 0.349
166 HA TYR 24 HA TYR 24 -3.259 5.338 2.191
167 HB2 TYR 24 2HB TYR 24 -0.997 4.246 2.661
168 HB3 TYR 24 1HB TYR 24 -0.439 5.846 3.134
169 HD1 TYR 24 2HD TYR 24 -2.976 3.247 3.906
170 HD2 TYR 24 1HD TYR 24 -0.867 6.673 5.292
171 HE1 TYR 24 2HE TYR 24 -3.890 2.893 6.158
172 HE2 TYR 24 1HE TYR 24 -1.774 6.326 7.550
173 HH TYR 24 HH TYR 24 -4.356 4.442 8.227
174 HA PRO 25 HA PRO 25 -3.873 9.713 2.649
175 HB2 PRO 25 2HB PRO 25 -5.335 9.683 4.949
176 HB3 PRO 25 1HB PRO 25 -5.998 9.260 3.367
177 HG2 PRO 25 2HG PRO 25 -5.024 7.463 5.556
178 HG3 PRO 25 1HG PRO 25 -6.471 7.309 4.541
179 HD2 PRO 25 2HD PRO 25 -4.227 5.889 4.068
180 HD3 PRO 25 1HD PRO 25 -5.281 6.453 2.754
181 H CYS 26 H CYS 26 -2.400 11.133 3.328
182 HA CYS 26 HA CYS 26 -0.899 10.578 5.780
183 HB2 CYS 26 2HB CYS 26 -0.083 11.435 3.275
184 HB3 CYS 26 1HB CYS 26 -0.054 12.910 4.238
185 HA PRO 27 HA PRO 27 -3.053 13.703 8.052
186 HB2 PRO 27 2HB PRO 27 -1.126 14.358 9.865
187 HB3 PRO 27 1HB PRO 27 -2.084 12.875 9.954
188 HG2 PRO 27 2HG PRO 27 0.687 13.280 8.896
189 HG3 PRO 27 1HG PRO 27 0.054 11.967 9.905
190 HD2 PRO 27 2HD PRO 27 0.424 11.691 7.245
191 HD3 PRO 27 1HD PRO 27 -0.893 10.871 8.110
192 H CYS 28 H CYS 28 -0.076 14.362 6.386
193 HA CYS 28 HA CYS 28 0.024 17.161 6.979
194 HB2 CYS 28 2HB CYS 28 1.761 17.262 5.255
195 HB3 CYS 28 1HB CYS 28 2.046 15.911 6.347
196 H GLY 29 H GLY 29 -1.270 15.203 4.321
197 HA2 GLY 29 2HA GLY 29 -3.399 16.646 3.579
198 HA3 GLY 29 1HA GLY 29 -2.099 17.561 2.833
199 H ASP 30 H ASP 30 -0.407 15.602 1.959
200 HA ASP 30 HA ASP 30 -1.845 14.575 -0.325
201 HB2 ASP 30 2HB ASP 30 0.677 15.507 0.002
202 HB3 ASP 30 1HB ASP 30 0.978 13.778 0.126
203 H ASN 31 H ASN 31 -0.759 12.199 -0.967
204 HA ASN 31 HA ASN 31 -1.227 10.428 1.334
205 HB2 ASN 31 2HB ASN 31 -2.327 9.936 -1.443
206 HB3 ASN 31 1HB ASN 31 -2.571 8.930 -0.022
207 HD21 ASN 31 1HD2 ASN 31 -4.307 10.648 -1.918
208 HD22 ASN 31 2HD2 ASN 31 -5.351 11.486 -0.827
209 H PHE 32 H PHE 32 0.023 8.616 1.438
210 HA PHE 32 HA PHE 32 2.481 8.553 0.040
211 HB2 PHE 32 2HB PHE 32 1.065 6.689 1.919
212 HB3 PHE 32 1HB PHE 32 2.501 6.131 1.072
213 HD1 PHE 32 1HD PHE 32 4.616 7.573 1.298
214 HD2 PHE 32 2HD PHE 32 1.269 7.872 3.906
215 HE1 PHE 32 1HE PHE 32 6.046 8.608 3.008
216 HE2 PHE 32 2HE PHE 32 2.694 8.913 5.622
217 HZ PHE 32 HZ PHE 32 5.086 9.282 5.172
218 H SER 33 H SER 33 3.277 6.574 -1.180
219 HA SER 33 HA SER 33 1.234 5.147 -2.681
220 HB2 SER 33 2HB SER 33 2.607 5.820 -4.837
221 HB3 SER 33 1HB SER 33 1.319 6.858 -4.228
222 HG SER 33 HG SER 33 4.115 7.161 -3.879
223 H ILE 34 H ILE 34 1.875 3.184 -3.415
224 HA ILE 34 HA ILE 34 4.684 2.484 -3.581
225 HB ILE 34 HB ILE 34 4.244 2.084 -1.211
226 HG12 ILE 34 2HG1 ILE 34 4.293 -0.630 -2.507
227 HG13 ILE 34 1HG1 ILE 34 5.630 0.495 -2.719
228 HG21 ILE 34 1HG2 ILE 34 1.706 1.495 -1.888
229 HG22 ILE 34 2HG2 ILE 34 2.442 1.029 -0.355
230 HG23 ILE 34 3HG2 ILE 34 2.354 -0.131 -1.681
231 HD11 ILE 34 3HD1 ILE 34 6.402 0.150 -0.651
232 HD12 ILE 34 1HD1 ILE 34 5.443 -1.326 -0.734
233 HD13 ILE 34 2HD1 ILE 34 4.787 0.107 0.057
234 H THR 35 H THR 35 4.958 1.206 -5.296
235 HA THR 35 HA THR 35 2.724 0.215 -6.775
236 HB THR 35 HB THR 35 4.458 -0.738 -8.289
237 HG1 THR 35 1HG THR 35 6.612 -0.433 -7.800
238 HG21 THR 35 3HG2 THR 35 5.308 1.275 -9.133
239 HG22 THR 35 1HG2 THR 35 5.263 2.055 -7.551
240 HG23 THR 35 2HG2 THR 35 3.760 1.694 -8.400
241 H LYS 36 H LYS 36 2.203 -1.950 -7.292
242 HA LYS 36 HA LYS 36 2.203 -3.760 -5.149
243 HB2 LYS 36 2HB LYS 36 0.538 -3.823 -6.960
244 HB3 LYS 36 1HB LYS 36 1.782 -4.330 -8.092
245 HG2 LYS 36 2HG LYS 36 0.962 -6.374 -7.634
246 HG3 LYS 36 1HG LYS 36 2.052 -6.263 -6.251
247 HD2 LYS 36 2HD LYS 36 0.259 -5.559 -4.820
248 HD3 LYS 36 1HD LYS 36 -0.845 -5.434 -6.190
249 HE2 LYS 36 2HE LYS 36 -0.001 -8.015 -6.403
250 HE3 LYS 36 1HE LYS 36 0.011 -7.787 -4.655
251 HZ1 LYS 36 3HZ LYS 36 -2.353 -6.715 -5.311
252 HZ2 LYS 36 1HZ LYS 36 -2.144 -8.330 -4.847
253 HZ3 LYS 36 2HZ LYS 36 -2.227 -7.924 -6.487
254 H GLU 37 H GLU 37 4.324 -3.495 -7.965
255 HA GLU 37 HA GLU 37 5.720 -5.910 -7.674
256 HB2 GLU 37 2HB GLU 37 5.753 -4.141 -9.591
257 HB3 GLU 37 1HB GLU 37 7.056 -3.409 -8.665
258 HG2 GLU 37 2HG GLU 37 8.493 -5.164 -9.035
259 HG3 GLU 37 1HG GLU 37 7.188 -6.316 -9.318
260 H ASP 38 H ASP 38 6.221 -2.735 -6.178
261 HA ASP 38 HA ASP 38 8.728 -3.177 -5.018
262 HB2 ASP 38 2HB ASP 38 6.416 -1.385 -4.407
263 HB3 ASP 38 1HB ASP 38 7.647 -1.577 -3.166
264 H LEU 39 H LEU 39 5.473 -3.790 -3.711
265 HA LEU 39 HA LEU 39 6.320 -4.849 -1.235
266 HB2 LEU 39 2HB LEU 39 3.781 -5.553 -2.702
267 HB3 LEU 39 1HB LEU 39 4.068 -5.649 -0.975
268 HG LEU 39 HG LEU 39 4.312 -2.983 -2.286
269 HD11 LEU 39 1HD1 LEU 39 1.647 -4.145 -1.520
270 HD12 LEU 39 2HD1 LEU 39 2.233 -4.049 -3.180
271 HD13 LEU 39 3HD1 LEU 39 1.973 -2.575 -2.249
272 HD21 LEU 39 3HD2 LEU 39 3.558 -2.181 -0.170
273 HD22 LEU 39 1HD2 LEU 39 4.806 -3.391 0.128
274 HD23 LEU 39 2HD2 LEU 39 3.106 -3.805 0.348
275 H GLU 40 H GLU 40 5.707 -6.357 -4.385
276 HA GLU 40 HA GLU 40 5.902 -9.044 -3.523
277 HB2 GLU 40 2HB GLU 40 6.439 -7.810 -6.226
278 HB3 GLU 40 1HB GLU 40 6.357 -9.540 -5.926
279 HG2 GLU 40 2HG GLU 40 4.050 -9.398 -5.331
280 HG3 GLU 40 1HG GLU 40 4.098 -7.636 -5.361
281 H ASN 41 H ASN 41 8.332 -6.644 -4.303
282 HA ASN 41 HA ASN 41 10.471 -8.618 -4.377
283 HB2 ASN 41 2HB ASN 41 10.217 -5.725 -5.013
284 HB3 ASN 41 1HB ASN 41 11.799 -6.293 -4.490
285 HD21 ASN 41 1HD2 ASN 41 13.064 -6.678 -6.153
286 HD22 ASN 41 2HD2 ASN 41 12.588 -7.392 -7.651
287 H GLY 42 H GLY 42 9.283 -6.058 -2.241
288 HA2 GLY 42 2HA GLY 42 9.814 -6.883 0.181
289 HA3 GLY 42 1HA GLY 42 11.463 -6.590 -0.352
290 H GLU 43 H GLU 43 10.131 -4.279 -2.030
291 HA GLU 43 HA GLU 43 10.790 -2.203 -0.217
292 HB2 GLU 43 2HB GLU 43 9.520 -2.245 -2.949
293 HB3 GLU 43 1HB GLU 43 9.697 -0.746 -2.050
294 HG2 GLU 43 2HG GLU 43 11.920 -2.583 -2.909
295 HG3 GLU 43 1HG GLU 43 11.504 -1.029 -3.632
296 H ASP 44 H ASP 44 9.419 -2.736 1.556
297 HA ASP 44 HA ASP 44 6.554 -2.219 1.236
298 HB2 ASP 44 2HB ASP 44 6.538 -2.924 3.717
299 HB3 ASP 44 1HB ASP 44 6.874 -4.159 2.513
300 H VAL 45 H VAL 45 8.282 -0.021 0.887
301 HA VAL 45 HA VAL 45 7.562 1.606 3.228
302 HB VAL 45 HB VAL 45 9.980 1.257 3.232
303 HG11 VAL 45 1HG1 VAL 45 9.868 1.214 0.534
304 HG12 VAL 45 2HG1 VAL 45 11.350 1.464 1.455
305 HG13 VAL 45 3HG1 VAL 45 10.472 2.849 0.806
306 HG21 VAL 45 3HG2 VAL 45 9.423 4.081 2.362
307 HG22 VAL 45 1HG2 VAL 45 10.635 3.513 3.511
308 HG23 VAL 45 2HG2 VAL 45 8.923 3.436 3.925
309 H ALA 46 H ALA 46 6.542 3.471 2.837
310 HA ALA 46 HA ALA 46 6.172 4.243 0.020
311 HB1 ALA 46 1HB ALA 46 4.224 3.541 1.809
312 HB2 ALA 46 2HB ALA 46 3.974 4.530 0.371
313 HB3 ALA 46 3HB ALA 46 4.226 5.301 1.936
314 H THR 47 H THR 47 6.553 6.325 -0.579
315 HA THR 47 HA THR 47 7.546 8.141 1.519
316 HB THR 47 HB THR 47 8.413 8.211 -1.373
317 HG1 THR 47 1HG THR 47 9.550 6.777 0.792
318 HG21 THR 47 3HG2 THR 47 9.303 9.556 1.119
319 HG22 THR 47 1HG2 THR 47 9.164 10.186 -0.522
320 HG23 THR 47 2HG2 THR 47 10.514 9.135 -0.092
321 H CYS 48 H CYS 48 6.623 10.076 1.701
322 HA CYS 48 HA CYS 48 4.502 10.783 -0.193
323 HB2 CYS 48 2HB CYS 48 3.995 10.614 2.260
324 HB3 CYS 48 1HB CYS 48 5.078 11.976 2.530
325 HA PRO 49 HA PRO 49 7.453 13.717 -1.962
326 HB2 PRO 49 2HB PRO 49 4.954 14.679 -3.252
327 HB3 PRO 49 1HB PRO 49 6.505 14.250 -3.981
328 HG2 PRO 49 2HG PRO 49 4.418 12.621 -4.204
329 HG3 PRO 49 1HG PRO 49 6.047 11.971 -3.927
330 HD2 PRO 49 2HD PRO 49 3.786 12.313 -1.994
331 HD3 PRO 49 1HD PRO 49 4.949 10.977 -2.144
332 H SER 50 H SER 50 4.565 14.441 -0.147
333 HA SER 50 HA SER 50 4.988 17.291 -0.119
334 HB2 SER 50 2HB SER 50 2.995 15.409 1.040
335 HB3 SER 50 1HB SER 50 3.206 16.962 1.850
336 HG SER 50 HG SER 50 2.295 16.407 -0.745
337 H CYS 51 H CYS 51 4.692 15.080 2.683
338 HA CYS 51 HA CYS 51 6.402 16.788 4.253
339 HB2 CYS 51 2HB CYS 51 5.983 15.185 6.071
340 HB3 CYS 51 1HB CYS 51 4.491 15.719 5.308
341 H SER 52 H SER 52 6.836 13.895 2.385
342 HA SER 52 HA SER 52 8.684 12.705 1.819
343 HB2 SER 52 2HB SER 52 10.358 14.628 3.437
344 HB3 SER 52 1HB SER 52 10.858 13.644 2.062
345 HG SER 52 HG SER 52 9.680 14.957 0.710
346 H LEU 53 H LEU 53 7.161 11.855 3.955
347 HA LEU 53 HA LEU 53 9.061 10.949 5.996
348 HB2 LEU 53 2HB LEU 53 6.135 11.350 5.875
349 HB3 LEU 53 1HB LEU 53 6.664 9.950 6.787
350 HG LEU 53 HG LEU 53 8.211 11.569 8.046
351 HD11 LEU 53 1HD1 LEU 53 6.297 13.729 7.474
352 HD12 LEU 53 2HD1 LEU 53 7.447 13.369 6.187
353 HD13 LEU 53 3HD1 LEU 53 8.029 13.798 7.796
354 HD21 LEU 53 3HD2 LEU 53 6.100 10.504 8.892
355 HD22 LEU 53 1HD2 LEU 53 5.253 11.977 8.422
356 HD23 LEU 53 2HD2 LEU 53 6.521 12.041 9.646
357 H ILE 54 H ILE 54 8.305 8.595 6.820
358 HA ILE 54 HA ILE 54 8.091 6.844 4.457
359 HB ILE 54 HB ILE 54 9.678 5.269 5.552
360 HG12 ILE 54 2HG1 ILE 54 10.333 7.605 7.364
361 HG13 ILE 54 1HG1 ILE 54 9.411 6.192 7.865
362 HG21 ILE 54 1HG2 ILE 54 10.425 6.741 3.763
363 HG22 ILE 54 2HG2 ILE 54 11.709 6.500 4.947
364 HG23 ILE 54 3HG2 ILE 54 10.789 8.005 4.937
365 HD11 ILE 54 3HD1 ILE 54 11.365 4.781 7.326
366 HD12 ILE 54 1HD1 ILE 54 11.681 5.965 8.595
367 HD13 ILE 54 2HD1 ILE 54 12.277 6.245 6.959
368 H ILE 55 H ILE 55 6.939 4.957 4.715
369 HA ILE 55 HA ILE 55 5.856 4.328 7.362
370 HB ILE 55 HB ILE 55 3.585 3.994 6.436
371 HG12 ILE 55 2HG1 ILE 55 4.400 5.653 4.062
372 HG13 ILE 55 1HG1 ILE 55 4.501 3.897 4.011
373 HG21 ILE 55 1HG2 ILE 55 4.605 6.814 6.139
374 HG22 ILE 55 2HG2 ILE 55 4.166 6.035 7.658
375 HG23 ILE 55 3HG2 ILE 55 2.934 6.330 6.431
376 HD11 ILE 55 3HD1 ILE 55 2.080 3.823 4.609
377 HD12 ILE 55 1HD1 ILE 55 2.436 4.538 3.037
378 HD13 ILE 55 2HD1 ILE 55 2.042 5.573 4.410
379 H LYS 56 H LYS 56 5.407 2.168 7.697
380 HA LYS 56 HA LYS 56 6.526 0.366 5.699
381 HB2 LYS 56 2HB LYS 56 6.788 0.440 8.414
382 HB3 LYS 56 1HB LYS 56 5.540 -0.782 8.223
383 HG2 LYS 56 2HG LYS 56 8.219 -0.835 6.853
384 HG3 LYS 56 1HG LYS 56 7.812 -1.719 8.326
385 HD2 LYS 56 2HD LYS 56 5.831 -2.618 6.841
386 HD3 LYS 56 1HD LYS 56 6.912 -2.172 5.520
387 HE2 LYS 56 2HE LYS 56 8.641 -3.600 6.377
388 HE3 LYS 56 1HE LYS 56 7.697 -3.945 7.826
389 HZ1 LYS 56 3HZ LYS 56 6.327 -4.561 5.362
390 HZ2 LYS 56 1HZ LYS 56 6.509 -5.495 6.764
391 HZ3 LYS 56 2HZ LYS 56 7.734 -5.469 5.599
392 H VAL 57 H VAL 57 5.468 -1.077 4.570
393 HA VAL 57 HA VAL 57 2.554 -1.185 4.905
394 HB VAL 57 HB VAL 57 3.736 -2.216 2.393
395 HG11 VAL 57 1HG1 VAL 57 1.349 -2.141 2.717
396 HG12 VAL 57 2HG1 VAL 57 1.799 -0.976 1.471
397 HG13 VAL 57 3HG1 VAL 57 1.425 -0.422 3.102
398 HG21 VAL 57 3HG2 VAL 57 4.166 0.572 3.316
399 HG22 VAL 57 1HG2 VAL 57 3.608 0.355 1.657
400 HG23 VAL 57 2HG2 VAL 57 5.103 -0.409 2.189
401 H ILE 58 H ILE 58 1.844 -2.963 5.872
402 HA ILE 58 HA ILE 58 3.435 -5.414 5.781
403 HB ILE 58 HB ILE 58 0.900 -4.931 7.350
404 HG12 ILE 58 2HG1 ILE 58 2.601 -3.279 7.996
405 HG13 ILE 58 1HG1 ILE 58 2.338 -4.452 9.282
406 HG21 ILE 58 1HG2 ILE 58 1.228 -6.935 8.350
407 HG22 ILE 58 2HG2 ILE 58 2.984 -6.824 8.255
408 HG23 ILE 58 3HG2 ILE 58 2.052 -7.290 6.833
409 HD11 ILE 58 3HD1 ILE 58 4.766 -3.675 8.234
410 HD12 ILE 58 1HD1 ILE 58 4.477 -5.253 7.501
411 HD13 ILE 58 2HD1 ILE 58 4.466 -5.081 9.256
412 H TYR 59 H TYR 59 2.842 -7.227 4.717
413 HA TYR 59 HA TYR 59 0.131 -7.590 3.750
414 HB2 TYR 59 2HB TYR 59 1.014 -7.924 1.366
415 HB3 TYR 59 1HB TYR 59 0.888 -6.261 1.936
416 HD1 TYR 59 2HD TYR 59 3.201 -8.967 1.045
417 HD2 TYR 59 1HD TYR 59 2.863 -4.942 2.378
418 HE1 TYR 59 2HE TYR 59 5.585 -8.617 0.565
419 HE2 TYR 59 1HE TYR 59 5.239 -4.578 1.902
420 HH TYR 59 HH TYR 59 7.420 -7.024 1.405
421 H ASP 60 H ASP 60 0.163 -9.654 2.219
422 HA ASP 60 HA ASP 60 1.432 -11.743 3.783
423 HB2 ASP 60 2HB ASP 60 -0.990 -11.793 2.953
424 HB3 ASP 60 1HB ASP 60 -0.325 -12.129 1.356
425 H LYS 61 H LYS 61 3.549 -11.983 3.313
426 HA LYS 61 HA LYS 61 4.755 -11.529 0.821
427 HB2 LYS 61 2HB LYS 61 5.629 -13.150 3.206
428 HB3 LYS 61 1HB LYS 61 6.628 -12.986 1.769
429 HG2 LYS 61 2HG LYS 61 5.615 -10.475 2.940
430 HG3 LYS 61 1HG LYS 61 6.803 -11.365 3.894
431 HD2 LYS 61 2HD LYS 61 7.942 -11.465 1.433
432 HD3 LYS 61 1HD LYS 61 7.116 -9.908 1.353
433 HE2 LYS 61 2HE LYS 61 8.339 -9.027 3.124
434 HE3 LYS 61 1HE LYS 61 8.788 -10.620 3.732
435 HZ1 LYS 61 3HZ LYS 61 10.660 -9.518 2.686
436 HZ2 LYS 61 1HZ LYS 61 9.805 -9.371 1.234
437 HZ3 LYS 61 2HZ LYS 61 10.234 -10.901 1.813
438 H ASP 62 H ASP 62 3.170 -14.388 2.117
439 HA ASP 62 HA ASP 62 4.203 -16.271 0.277
440 HB2 ASP 62 2HB ASP 62 2.764 -16.578 2.473
441 HB3 ASP 62 1HB ASP 62 1.423 -16.555 1.336
442 H GLN 63 H GLN 63 1.539 -13.986 0.102
443 HA GLN 63 HA GLN 63 0.586 -15.056 -2.426
444 HB2 GLN 63 2HB GLN 63 -0.297 -12.866 -0.579
445 HB3 GLN 63 1HB GLN 63 -0.899 -12.912 -2.231
446 HG2 GLN 63 2HG GLN 63 -1.755 -15.178 -1.843
447 HG3 GLN 63 1HG GLN 63 -1.177 -15.100 -0.181
448 HE21 GLN 63 1HE2 GLN 63 -3.793 -15.636 -0.675
449 HE22 GLN 63 2HE2 GLN 63 -4.774 -14.293 -0.207
450 H PHE 64 H PHE 64 2.277 -12.174 -1.229
451 HA PHE 64 HA PHE 64 2.412 -10.881 -3.769
452 HB2 PHE 64 2HB PHE 64 3.634 -10.436 -1.082
453 HB3 PHE 64 1HB PHE 64 4.375 -9.646 -2.470
454 HD1 PHE 64 2HD PHE 64 1.246 -9.962 -0.530
455 HD2 PHE 64 1HD PHE 64 3.381 -7.762 -3.482
456 HE1 PHE 64 2HE PHE 64 -0.445 -8.180 -0.418
457 HE2 PHE 64 1HE PHE 64 1.694 -5.975 -3.374
458 HZ PHE 64 HZ PHE 64 -0.222 -6.181 -1.842
459 H VAL 65 H VAL 65 4.528 -13.111 -2.035
460 HA VAL 65 HA VAL 65 6.504 -12.940 -4.196
461 HB VAL 65 HB VAL 65 6.785 -14.433 -1.583
462 HG11 VAL 65 1HG1 VAL 65 8.231 -14.991 -3.636
463 HG12 VAL 65 2HG1 VAL 65 9.043 -14.692 -2.101
464 HG13 VAL 65 3HG1 VAL 65 9.005 -13.435 -3.336
465 HG21 VAL 65 3HG2 VAL 65 6.755 -12.349 -0.699
466 HG22 VAL 65 1HG2 VAL 65 7.151 -11.572 -2.232
467 HG23 VAL 65 2HG2 VAL 65 8.422 -12.330 -1.274
468 H SER 66 H SER 66 5.552 -14.123 -5.803
469 HA SER 66 HA SER 66 4.966 -15.939 -7.026
470 HB2 SER 66 2HB SER 66 7.147 -16.810 -6.239
471 HB3 SER 66 1HB SER 66 6.346 -17.519 -4.838
472 HG SER 66 HG SER 66 5.398 -18.997 -6.101
473 H GLY 67 H GLY 67 2.770 -15.319 -6.402
474 HA2 GLY 67 2HA GLY 67 1.317 -17.600 -5.419
475 HA3 GLY 67 1HA GLY 67 1.246 -16.223 -4.329
476 H GLU 68 H GLU 68 0.949 -14.074 -5.823
477 HA GLU 68 HA GLU 68 -1.449 -14.604 -7.461
478 HB2 GLU 68 2HB GLU 68 -1.604 -13.367 -5.153
479 HB3 GLU 68 1HB GLU 68 -0.994 -11.991 -6.060
480 HG2 GLU 68 2HG GLU 68 -3.141 -11.564 -6.467
481 HG3 GLU 68 1HG GLU 68 -3.009 -12.845 -7.670
482 H THR 69 H THR 69 1.092 -14.629 -8.630
483 HA THR 69 HA THR 69 1.876 -12.123 -9.688
484 HB THR 69 HB THR 69 3.431 -13.985 -9.622
485 HG1 THR 69 1HG THR 69 4.318 -13.640 -11.581
486 HG21 THR 69 3HG2 THR 69 3.113 -16.032 -10.435
487 HG22 THR 69 1HG2 THR 69 2.398 -15.433 -11.931
488 HG23 THR 69 2HG2 THR 69 1.405 -15.597 -10.484
489 H VAL 70 H VAL 70 1.705 -11.354 -11.868
490 HA VAL 70 HA VAL 70 -0.951 -11.647 -12.929
491 HB VAL 70 HB VAL 70 0.160 -9.446 -12.856
492 HG11 VAL 70 1HG1 VAL 70 2.396 -10.680 -13.721
493 HG12 VAL 70 2HG1 VAL 70 2.126 -8.941 -13.823
494 HG13 VAL 70 3HG1 VAL 70 1.823 -9.965 -15.227
495 HG21 VAL 70 3HG2 VAL 70 -0.543 -10.418 -15.624
496 HG22 VAL 70 1HG2 VAL 70 -0.410 -8.724 -15.151
497 HG23 VAL 70 2HG2 VAL 70 -1.647 -9.747 -14.422
498 HA PRO 71 HA PRO 71 -0.301 -14.912 -15.855
499 HB2 PRO 71 2HB PRO 71 -2.132 -13.302 -17.568
500 HB3 PRO 71 1HB PRO 71 -2.242 -14.998 -17.089
501 HG2 PRO 71 2HG PRO 71 -3.818 -13.167 -15.972
502 HG3 PRO 71 1HG PRO 71 -3.135 -14.491 -15.011
503 HD2 PRO 71 2HD PRO 71 -2.332 -11.619 -15.122
504 HD3 PRO 71 1HD PRO 71 -2.353 -12.734 -13.741
505 H ALA 72 H ALA 72 1.352 -15.177 -17.201
506 HA ALA 72 HA ALA 72 2.838 -14.892 -18.898
507 HB1 ALA 72 1HB ALA 72 2.225 -13.784 -20.781
508 HB2 ALA 72 2HB ALA 72 1.658 -12.367 -19.899
509 HB3 ALA 72 3HB ALA 72 0.652 -13.813 -19.982
510 HA PRO 73 HA PRO 73 5.776 -12.104 -17.142
511 HB2 PRO 73 2HB PRO 73 7.557 -11.814 -19.170
512 HB3 PRO 73 1HB PRO 73 7.412 -13.302 -18.229
513 HG2 PRO 73 2HG PRO 73 6.296 -12.649 -20.928
514 HG3 PRO 73 1HG PRO 73 7.062 -14.147 -20.367
515 HD2 PRO 73 2HD PRO 73 4.369 -13.850 -20.574
516 HD3 PRO 73 1HD PRO 73 5.132 -14.905 -19.366
517 H SER 74 H SER 74 4.133 -10.368 -17.100
518 HA SER 74 HA SER 74 4.607 -8.312 -19.155
519 HB2 SER 74 2HB SER 74 2.210 -9.374 -18.451
520 HB3 SER 74 1HB SER 74 2.282 -7.998 -17.348
521 HG SER 74 HG SER 74 2.650 -6.663 -19.184
522 H ALA 75 H ALA 75 5.964 -6.778 -18.513
523 HA ALA 75 HA ALA 75 5.535 -5.400 -16.008
524 HB1 ALA 75 1HB ALA 75 7.913 -7.152 -16.443
525 HB2 ALA 75 2HB ALA 75 6.944 -6.908 -14.990
526 HB3 ALA 75 3HB ALA 75 8.089 -5.669 -15.504
527 H ASN 76 H ASN 76 5.318 -4.629 -18.744
528 HA ASN 76 HA ASN 76 7.616 -2.843 -19.130
529 HB2 ASN 76 2HB ASN 76 5.624 -4.084 -20.965
530 HB3 ASN 76 1HB ASN 76 6.235 -2.489 -21.394
531 HD21 ASN 76 1HD2 ASN 76 8.721 -2.340 -21.107
532 HD22 ASN 76 2HD2 ASN 76 9.613 -3.651 -21.796
533 H LYS 77 H LYS 77 7.437 -0.733 -18.728
534 HA LYS 77 HA LYS 77 4.784 0.513 -18.773
535 HB2 LYS 77 2HB LYS 77 5.465 1.790 -16.671
536 HB3 LYS 77 1HB LYS 77 5.006 0.104 -16.465
537 HG2 LYS 77 2HG LYS 77 7.354 -0.534 -16.351
538 HG3 LYS 77 1HG LYS 77 7.828 1.149 -16.589
539 HD2 LYS 77 2HD LYS 77 6.281 1.542 -14.502
540 HD3 LYS 77 1HD LYS 77 6.603 -0.167 -14.210
541 HE2 LYS 77 2HE LYS 77 9.002 0.270 -14.248
542 HE3 LYS 77 1HE LYS 77 8.696 1.974 -14.580
543 HZ1 LYS 77 3HZ LYS 77 8.377 0.477 -12.085
544 HZ2 LYS 77 1HZ LYS 77 7.301 1.750 -12.379
545 HZ3 LYS 77 2HZ LYS 77 8.965 2.042 -12.337
546 H GLU 78 H GLU 78 5.649 1.288 -20.829
547 HA GLU 78 HA GLU 78 7.616 3.461 -20.540
548 HB2 GLU 78 2HB GLU 78 7.686 1.425 -22.303
549 HB3 GLU 78 1HB GLU 78 6.744 2.577 -23.239
550 HG2 GLU 78 2HG GLU 78 8.672 4.220 -22.552
551 HG3 GLU 78 1HG GLU 78 9.575 2.722 -22.338
552 H LEU 79 H LEU 79 4.950 3.859 -19.660
553 HA LEU 79 HA LEU 79 3.522 5.289 -21.724
554 HB2 LEU 79 2HB LEU 79 1.891 5.784 -19.928
555 HB3 LEU 79 1HB LEU 79 2.209 4.072 -20.128
556 HG LEU 79 HG LEU 79 3.859 5.404 -18.081
557 HD11 LEU 79 1HD1 LEU 79 2.264 6.018 -16.604
558 HD12 LEU 79 2HD1 LEU 79 1.123 4.794 -17.158
559 HD13 LEU 79 3HD1 LEU 79 1.329 6.287 -18.074
560 HD21 LEU 79 3HD2 LEU 79 2.607 2.795 -18.613
561 HD22 LEU 79 1HD2 LEU 79 2.668 3.269 -16.916
562 HD23 LEU 79 2HD2 LEU 79 4.154 3.182 -17.861
563 H VAL 80 H VAL 80 5.447 6.713 -22.089
564 HA VAL 80 HA VAL 80 5.270 9.090 -20.357
565 HB VAL 80 HB VAL 80 7.815 8.162 -21.698
566 HG11 VAL 80 1HG1 VAL 80 8.869 9.944 -20.749
567 HG12 VAL 80 2HG1 VAL 80 7.755 10.020 -19.383
568 HG13 VAL 80 3HG1 VAL 80 7.265 10.646 -20.957
569 HG21 VAL 80 3HG2 VAL 80 7.640 6.522 -20.110
570 HG22 VAL 80 1HG2 VAL 80 6.683 7.524 -19.019
571 HG23 VAL 80 2HG2 VAL 80 8.420 7.784 -19.159
572 H LYS 81 H LYS 81 4.222 10.561 -21.547
573 HA LYS 81 HA LYS 81 4.308 10.641 -24.407
574 HB2 LYS 81 2HB LYS 81 3.027 12.285 -22.264
575 HB3 LYS 81 1HB LYS 81 3.171 12.977 -23.871
576 HG2 LYS 81 2HG LYS 81 1.630 11.579 -24.767
577 HG3 LYS 81 1HG LYS 81 2.044 10.248 -23.684
578 HD2 LYS 81 2HD LYS 81 0.668 11.007 -22.008
579 HD3 LYS 81 1HD LYS 81 0.783 12.688 -22.530
580 HE2 LYS 81 2HE LYS 81 -0.930 12.492 -23.988
581 HE3 LYS 81 1HE LYS 81 -0.499 10.842 -24.437
582 HZ1 LYS 81 3HZ LYS 81 -1.597 11.337 -21.758
583 HZ2 LYS 81 1HZ LYS 81 -1.721 9.961 -22.736
584 HZ3 LYS 81 2HZ LYS 81 -2.653 11.329 -23.079
585 H LEU 82 H LEU 82 6.094 11.264 -25.445
586 HA LEU 82 HA LEU 82 7.784 12.579 -26.216
587 HB2 LEU 82 2HB LEU 82 5.982 14.399 -25.434
588 HB3 LEU 82 1HB LEU 82 7.259 14.784 -24.297
589 HG LEU 82 HG LEU 82 8.015 14.569 -27.166
590 HD11 LEU 82 1HD1 LEU 82 7.377 17.149 -27.140
591 HD12 LEU 82 2HD1 LEU 82 6.101 16.551 -26.078
592 HD13 LEU 82 3HD1 LEU 82 6.266 15.904 -27.711
593 HD21 LEU 82 3HD2 LEU 82 9.190 16.778 -26.261
594 HD22 LEU 82 1HD2 LEU 82 9.855 15.171 -25.970
595 HD23 LEU 82 2HD2 LEU 82 8.915 15.976 -24.714
596 H GLU 83 H GLU 83 9.950 13.111 -25.694
597 HA GLU 83 HA GLU 83 10.827 13.106 -22.949
598 HB2 GLU 83 2HB GLU 83 10.465 10.635 -23.901
599 HB3 GLU 83 1HB GLU 83 12.076 10.924 -24.538
600 HG2 GLU 83 2HG GLU 83 12.529 11.691 -22.050
601 HG3 GLU 83 1HG GLU 83 11.165 10.620 -21.736
602 H HIS 84 H HIS 84 12.177 12.313 -26.168
603 HA HIS 84 HA HIS 84 13.925 14.654 -25.964
604 HB2 HIS 84 2HB HIS 84 15.193 12.677 -25.142
605 HB3 HIS 84 1HB HIS 84 14.925 11.887 -26.691
606 HD1 HIS 84 1HD HIS 84 16.539 15.074 -25.375
607 HD2 HIS 84 2HD HIS 84 16.894 12.343 -28.487
608 HE1 HIS 84 1HE HIS 84 18.589 15.773 -26.653
609 HE2 HIS 84 2HE HIS 84 18.721 14.170 -28.592
Start of MODEL 10
1 H1 MET 1 1HT MET 1 12.799 -1.584 10.071
2 H2 MET 1 2HT MET 1 13.143 -2.949 9.091
3 H3 MET 1 3HT MET 1 13.159 -1.375 8.407
4 HA MET 1 HA MET 1 15.018 -2.525 10.376
5 HB2 MET 1 2HB MET 1 15.091 -1.826 7.469
6 HB3 MET 1 1HB MET 1 16.569 -1.658 8.409
7 HG2 MET 1 2HG MET 1 14.970 -4.196 8.390
8 HG3 MET 1 1HG MET 1 16.208 -3.850 7.183
9 HE1 MET 1 2HE MET 1 17.068 -6.598 9.694
10 HE2 MET 1 3HE MET 1 15.464 -5.921 9.420
11 HE3 MET 1 1HE MET 1 16.256 -5.708 10.981
12 H ALA 2 H ALA 2 14.372 0.414 8.420
13 HA ALA 2 HA ALA 2 16.041 2.018 10.146
14 HB1 ALA 2 1HB ALA 2 14.240 3.257 8.125
15 HB2 ALA 2 2HB ALA 2 15.570 2.244 7.564
16 HB3 ALA 2 3HB ALA 2 15.901 3.659 8.562
17 H VAL 3 H VAL 3 15.007 4.302 10.726
18 HA VAL 3 HA VAL 3 12.969 3.749 12.668
19 HB VAL 3 HB VAL 3 13.082 6.242 13.114
20 HG11 VAL 3 1HG1 VAL 3 14.794 5.909 14.553
21 HG12 VAL 3 2HG1 VAL 3 15.855 5.243 13.312
22 HG13 VAL 3 3HG1 VAL 3 14.596 4.237 14.027
23 HG21 VAL 3 3HG2 VAL 3 15.630 6.437 11.650
24 HG22 VAL 3 1HG2 VAL 3 14.379 7.650 11.923
25 HG23 VAL 3 2HG2 VAL 3 14.177 6.447 10.650
26 H PHE 4 H PHE 4 11.267 3.052 11.253
27 HA PHE 4 HA PHE 4 10.067 4.876 9.387
28 HB2 PHE 4 2HB PHE 4 9.491 2.128 10.388
29 HB3 PHE 4 1HB PHE 4 8.164 3.027 9.660
30 HD1 PHE 4 1HD PHE 4 11.753 2.246 8.948
31 HD2 PHE 4 2HD PHE 4 7.809 2.729 7.430
32 HE1 PHE 4 1HE PHE 4 12.536 1.584 6.711
33 HE2 PHE 4 2HE PHE 4 8.582 2.068 5.194
34 HZ PHE 4 HZ PHE 4 10.949 1.493 4.830
35 H HIS 5 H HIS 5 7.809 5.587 9.529
36 HA HIS 5 HA HIS 5 7.277 6.824 12.066
37 HB2 HIS 5 2HB HIS 5 6.819 7.776 9.702
38 HB3 HIS 5 1HB HIS 5 5.363 6.789 9.738
39 HD1 HIS 5 1HD HIS 5 6.631 8.638 12.767
40 HD2 HIS 5 2HD HIS 5 3.612 8.917 9.923
41 HE1 HIS 5 1HE HIS 5 5.088 10.440 13.598
42 HE2 HIS 5 2HE HIS 5 3.307 10.640 11.828
43 H ASP 6 H ASP 6 5.275 4.700 9.995
44 HA ASP 6 HA ASP 6 4.484 3.096 12.254
45 HB2 ASP 6 2HB ASP 6 2.683 5.175 11.114
46 HB3 ASP 6 1HB ASP 6 1.966 3.612 11.492
47 H GLU 7 H GLU 7 3.731 1.091 11.651
48 HA GLU 7 HA GLU 7 3.871 0.488 8.791
49 HB2 GLU 7 2HB GLU 7 3.602 -1.506 11.043
50 HB3 GLU 7 1HB GLU 7 4.135 -1.807 9.399
51 HG2 GLU 7 2HG GLU 7 6.164 -1.783 10.348
52 HG3 GLU 7 1HG GLU 7 6.002 -0.039 10.152
53 H VAL 8 H VAL 8 2.148 -0.092 7.593
54 HA VAL 8 HA VAL 8 -0.384 -0.664 8.981
55 HB VAL 8 HB VAL 8 -0.208 1.016 6.478
56 HG11 VAL 8 1HG1 VAL 8 -2.343 0.289 6.400
57 HG12 VAL 8 2HG1 VAL 8 -2.596 1.564 7.591
58 HG13 VAL 8 3HG1 VAL 8 -2.387 -0.104 8.118
59 HG21 VAL 8 3HG2 VAL 8 -0.606 2.965 7.803
60 HG22 VAL 8 1HG2 VAL 8 0.804 2.145 8.473
61 HG23 VAL 8 2HG2 VAL 8 -0.763 2.004 9.273
62 H GLU 9 H GLU 9 -1.688 -2.187 8.063
63 HA GLU 9 HA GLU 9 -0.486 -4.069 6.307
64 HB2 GLU 9 2HB GLU 9 -3.375 -3.863 7.175
65 HB3 GLU 9 1HB GLU 9 -2.618 -5.266 6.436
66 HG2 GLU 9 2HG GLU 9 -1.528 -5.864 8.343
67 HG3 GLU 9 1HG GLU 9 -1.418 -4.207 8.935
68 H ILE 10 H ILE 10 -0.832 -4.503 4.178
69 HA ILE 10 HA ILE 10 -1.468 -2.445 2.417
70 HB ILE 10 HB ILE 10 -0.133 -4.440 1.815
71 HG12 ILE 10 2HG1 ILE 10 -1.673 -4.820 -0.413
72 HG13 ILE 10 1HG1 ILE 10 -2.303 -3.292 0.192
73 HG21 ILE 10 1HG2 ILE 10 -1.136 -6.534 1.280
74 HG22 ILE 10 2HG2 ILE 10 -2.758 -5.886 1.522
75 HG23 ILE 10 3HG2 ILE 10 -1.674 -6.088 2.899
76 HD11 ILE 10 3HD1 ILE 10 -0.131 -3.590 -1.425
77 HD12 ILE 10 1HD1 ILE 10 0.606 -3.412 0.168
78 HD13 ILE 10 2HD1 ILE 10 -0.491 -2.172 -0.441
79 H GLU 11 H GLU 11 -3.569 -4.802 3.942
80 HA GLU 11 HA GLU 11 -5.781 -4.650 2.230
81 HB2 GLU 11 2HB GLU 11 -7.122 -5.353 4.197
82 HB3 GLU 11 1HB GLU 11 -5.691 -6.342 3.947
83 HG2 GLU 11 2HG GLU 11 -4.794 -5.763 5.915
84 HG3 GLU 11 1HG GLU 11 -5.290 -4.079 5.764
85 H ASP 12 H ASP 12 -4.649 -2.469 4.735
86 HA ASP 12 HA ASP 12 -7.035 -0.892 4.842
87 HB2 ASP 12 2HB ASP 12 -4.889 -1.120 6.481
88 HB3 ASP 12 1HB ASP 12 -4.465 0.359 5.624
89 H PHE 13 H PHE 13 -4.107 -0.869 2.926
90 HA PHE 13 HA PHE 13 -4.247 1.753 1.903
91 HB2 PHE 13 2HB PHE 13 -2.916 -0.787 1.053
92 HB3 PHE 13 1HB PHE 13 -2.984 0.548 -0.087
93 HD1 PHE 13 2HD PHE 13 -2.072 -0.099 3.480
94 HD2 PHE 13 1HD PHE 13 -1.243 2.032 -0.111
95 HE1 PHE 13 2HE PHE 13 -0.082 0.897 4.531
96 HE2 PHE 13 1HE PHE 13 0.747 3.027 0.933
97 HZ PHE 13 HZ PHE 13 1.329 2.461 3.258
98 H GLN 14 H GLN 14 -4.543 2.145 -0.545
99 HA GLN 14 HA GLN 14 -7.097 0.927 -1.362
100 HB2 GLN 14 2HB GLN 14 -6.588 3.568 -0.969
101 HB3 GLN 14 1HB GLN 14 -6.220 3.424 -2.682
102 HG2 GLN 14 2HG GLN 14 -8.475 2.337 -2.959
103 HG3 GLN 14 1HG GLN 14 -8.816 2.818 -1.298
104 HE21 GLN 14 1HE2 GLN 14 -9.972 3.611 -3.951
105 HE22 GLN 14 2HE2 GLN 14 -9.911 5.338 -3.952
106 H TYR 15 H TYR 15 -6.845 -0.580 -2.891
107 HA TYR 15 HA TYR 15 -4.535 -0.805 -4.511
108 HB2 TYR 15 2HB TYR 15 -5.899 -2.763 -3.973
109 HB3 TYR 15 1HB TYR 15 -7.261 -2.080 -4.855
110 HD1 TYR 15 1HD TYR 15 -3.696 -3.072 -5.389
111 HD2 TYR 15 2HD TYR 15 -7.592 -2.720 -7.059
112 HE1 TYR 15 1HE TYR 15 -2.905 -4.165 -7.442
113 HE2 TYR 15 2HE TYR 15 -6.815 -3.812 -9.119
114 HH TYR 15 HH TYR 15 -4.076 -4.008 -10.183
115 H ASP 16 H ASP 16 -4.000 0.235 -6.308
116 HA ASP 16 HA ASP 16 -6.031 1.855 -7.665
117 HB2 ASP 16 2HB ASP 16 -3.734 2.742 -6.764
118 HB3 ASP 16 1HB ASP 16 -3.094 2.044 -8.247
119 H GLU 17 H GLU 17 -7.024 0.387 -9.008
120 HA GLU 17 HA GLU 17 -5.817 -1.609 -10.535
121 HB2 GLU 17 2HB GLU 17 -7.856 -1.335 -12.040
122 HB3 GLU 17 1HB GLU 17 -8.160 -1.698 -10.346
123 HG2 GLU 17 2HG GLU 17 -8.855 0.497 -9.891
124 HG3 GLU 17 1HG GLU 17 -8.190 1.109 -11.406
125 H ASP 18 H ASP 18 -5.965 1.815 -11.078
126 HA ASP 18 HA ASP 18 -5.672 2.100 -13.778
127 HB2 ASP 18 2HB ASP 18 -4.122 3.661 -11.700
128 HB3 ASP 18 1HB ASP 18 -4.481 4.179 -13.341
129 H SER 19 H SER 19 -2.988 1.618 -11.463
130 HA SER 19 HA SER 19 -1.477 0.271 -13.568
131 HB2 SER 19 2HB SER 19 -0.491 2.712 -12.077
132 HB3 SER 19 1HB SER 19 0.566 1.637 -12.994
133 HG SER 19 HG SER 19 -0.762 3.667 -13.929
134 H GLU 20 H GLU 20 -2.774 -0.589 -11.059
135 HA GLU 20 HA GLU 20 -2.391 -1.873 -9.218
136 HB2 GLU 20 2HB GLU 20 0.182 -2.596 -10.620
137 HB3 GLU 20 1HB GLU 20 -0.695 -3.567 -9.446
138 HG2 GLU 20 2HG GLU 20 -2.082 -4.391 -10.989
139 HG3 GLU 20 1HG GLU 20 -2.279 -2.832 -11.787
140 H THR 21 H THR 21 -2.072 0.268 -8.103
141 HA THR 21 HA THR 21 0.512 0.237 -6.710
142 HB THR 21 HB THR 21 -0.812 2.808 -7.599
143 HG1 THR 21 1HG THR 21 1.237 1.289 -8.816
144 HG21 THR 21 3HG2 THR 21 1.249 3.881 -7.034
145 HG22 THR 21 1HG2 THR 21 1.994 2.334 -6.629
146 HG23 THR 21 2HG2 THR 21 0.683 2.969 -5.634
147 H TYR 22 H TYR 22 0.442 1.182 -4.568
148 HA TYR 22 HA TYR 22 -2.297 1.372 -3.481
149 HB2 TYR 22 2HB TYR 22 0.150 0.255 -2.090
150 HB3 TYR 22 1HB TYR 22 -1.456 0.406 -1.383
151 HD1 TYR 22 2HD TYR 22 0.445 -1.287 -4.086
152 HD2 TYR 22 1HD TYR 22 -3.062 -1.291 -1.674
153 HE1 TYR 22 2HE TYR 22 -0.125 -3.518 -4.932
154 HE2 TYR 22 1HE TYR 22 -3.640 -3.528 -2.513
155 HH TYR 22 HH TYR 22 -1.999 -5.571 -3.581
156 H PHE 23 H PHE 23 -2.755 3.028 -2.070
157 HA PHE 23 HA PHE 23 -0.560 4.879 -1.418
158 HB2 PHE 23 2HB PHE 23 -3.310 5.732 -2.347
159 HB3 PHE 23 1HB PHE 23 -1.957 6.789 -1.963
160 HD1 PHE 23 1HD PHE 23 -2.967 4.056 -4.280
161 HD2 PHE 23 2HD PHE 23 -0.508 7.473 -3.644
162 HE1 PHE 23 1HE PHE 23 -2.236 3.962 -6.624
163 HE2 PHE 23 2HE PHE 23 0.226 7.384 -5.989
164 HZ PHE 23 HZ PHE 23 -0.637 5.626 -7.484
165 H TYR 24 H TYR 24 -0.883 6.217 0.441
166 HA TYR 24 HA TYR 24 -3.044 5.339 2.238
167 HB2 TYR 24 2HB TYR 24 -0.627 4.418 2.689
168 HB3 TYR 24 1HB TYR 24 -0.349 6.026 3.352
169 HD1 TYR 24 1HD TYR 24 -2.510 3.022 3.658
170 HD2 TYR 24 2HD TYR 24 -1.093 6.578 5.520
171 HE1 TYR 24 1HE TYR 24 -3.540 2.319 5.774
172 HE2 TYR 24 2HE TYR 24 -2.118 5.881 7.641
173 HH TYR 24 HH TYR 24 -4.186 4.267 8.245
174 HA PRO 25 HA PRO 25 -3.761 9.703 2.638
175 HB2 PRO 25 2HB PRO 25 -5.337 9.668 4.847
176 HB3 PRO 25 1HB PRO 25 -5.905 9.167 3.249
177 HG2 PRO 25 2HG PRO 25 -4.978 7.484 5.544
178 HG3 PRO 25 1HG PRO 25 -6.362 7.238 4.464
179 HD2 PRO 25 2HD PRO 25 -4.020 5.909 4.165
180 HD3 PRO 25 1HD PRO 25 -5.059 6.340 2.791
181 H CYS 26 H CYS 26 -2.358 11.161 3.380
182 HA CYS 26 HA CYS 26 -0.995 10.667 5.926
183 HB2 CYS 26 2HB CYS 26 -0.032 11.463 3.452
184 HB3 CYS 26 1HB CYS 26 -0.061 12.960 4.383
185 HA PRO 27 HA PRO 27 -3.298 13.851 7.963
186 HB2 PRO 27 2HB PRO 27 -1.513 14.542 9.898
187 HB3 PRO 27 1HB PRO 27 -2.468 13.054 9.946
188 HG2 PRO 27 2HG PRO 27 0.370 13.457 9.084
189 HG3 PRO 27 1HG PRO 27 -0.327 12.160 10.072
190 HD2 PRO 27 2HD PRO 27 0.237 11.838 7.449
191 HD3 PRO 27 1HD PRO 27 -1.131 11.020 8.235
192 H CYS 28 H CYS 28 -0.212 14.461 6.493
193 HA CYS 28 HA CYS 28 -0.127 17.263 7.052
194 HB2 CYS 28 2HB CYS 28 1.704 17.333 5.431
195 HB3 CYS 28 1HB CYS 28 1.915 15.997 6.557
196 H GLY 29 H GLY 29 -1.233 15.297 4.307
197 HA2 GLY 29 2HA GLY 29 -3.314 16.774 3.449
198 HA3 GLY 29 1HA GLY 29 -1.952 17.637 2.753
199 H ASP 30 H ASP 30 -0.275 15.726 1.881
200 HA ASP 30 HA ASP 30 -1.701 14.653 -0.378
201 HB2 ASP 30 2HB ASP 30 0.941 15.451 0.117
202 HB3 ASP 30 1HB ASP 30 1.033 13.713 -0.162
203 H ASN 31 H ASN 31 -0.461 12.261 -0.971
204 HA ASN 31 HA ASN 31 -1.047 10.515 1.317
205 HB2 ASN 31 2HB ASN 31 -2.098 9.986 -1.469
206 HB3 ASN 31 1HB ASN 31 -2.426 9.053 -0.012
207 HD21 ASN 31 1HD2 ASN 31 -2.927 12.184 -1.556
208 HD22 ASN 31 2HD2 ASN 31 -4.377 12.573 -0.701
209 H PHE 32 H PHE 32 0.095 8.641 1.452
210 HA PHE 32 HA PHE 32 2.617 8.488 0.190
211 HB2 PHE 32 2HB PHE 32 1.024 6.604 1.910
212 HB3 PHE 32 1HB PHE 32 2.554 6.098 1.210
213 HD1 PHE 32 2HD PHE 32 4.605 7.561 1.706
214 HD2 PHE 32 1HD PHE 32 0.980 7.759 3.927
215 HE1 PHE 32 2HE PHE 32 5.816 8.588 3.583
216 HE2 PHE 32 1HE PHE 32 2.187 8.787 5.810
217 HZ PHE 32 HZ PHE 32 4.608 9.201 5.639
218 H SER 33 H SER 33 3.439 6.610 -1.089
219 HA SER 33 HA SER 33 1.424 5.232 -2.695
220 HB2 SER 33 2HB SER 33 3.644 6.479 -4.245
221 HB3 SER 33 1HB SER 33 1.991 6.110 -4.741
222 HG SER 33 HG SER 33 1.688 8.173 -4.432
223 H ILE 34 H ILE 34 2.027 3.246 -3.414
224 HA ILE 34 HA ILE 34 4.813 2.452 -3.473
225 HB ILE 34 HB ILE 34 4.240 2.050 -1.122
226 HG12 ILE 34 2HG1 ILE 34 4.305 -0.713 -2.214
227 HG13 ILE 34 1HG1 ILE 34 5.569 0.380 -2.767
228 HG21 ILE 34 1HG2 ILE 34 1.747 1.516 -1.898
229 HG22 ILE 34 2HG2 ILE 34 2.417 0.928 -0.378
230 HG23 ILE 34 3HG2 ILE 34 2.356 -0.135 -1.783
231 HD11 ILE 34 3HD1 ILE 34 5.229 0.526 0.095
232 HD12 ILE 34 1HD1 ILE 34 6.673 0.184 -0.858
233 HD13 ILE 34 2HD1 ILE 34 5.560 -1.120 -0.444
234 H THR 35 H THR 35 5.113 1.210 -5.202
235 HA THR 35 HA THR 35 2.919 0.275 -6.773
236 HB THR 35 HB THR 35 4.808 -0.786 -8.144
237 HG1 THR 35 1HG THR 35 6.758 -0.672 -7.390
238 HG21 THR 35 3HG2 THR 35 3.823 1.607 -8.391
239 HG22 THR 35 1HG2 THR 35 5.307 1.166 -9.233
240 HG23 THR 35 2HG2 THR 35 5.385 2.108 -7.743
241 H LYS 36 H LYS 36 2.346 -1.849 -7.313
242 HA LYS 36 HA LYS 36 2.275 -3.711 -5.220
243 HB2 LYS 36 2HB LYS 36 0.650 -3.689 -7.072
244 HB3 LYS 36 1HB LYS 36 1.909 -4.206 -8.184
245 HG2 LYS 36 2HG LYS 36 1.001 -6.229 -7.782
246 HG3 LYS 36 1HG LYS 36 2.093 -6.185 -6.397
247 HD2 LYS 36 2HD LYS 36 0.312 -5.437 -4.958
248 HD3 LYS 36 1HD LYS 36 -0.785 -5.287 -6.331
249 HE2 LYS 36 2HE LYS 36 0.053 -7.885 -6.537
250 HE3 LYS 36 1HE LYS 36 -0.002 -7.649 -4.790
251 HZ1 LYS 36 3HZ LYS 36 -2.166 -7.761 -6.714
252 HZ2 LYS 36 1HZ LYS 36 -2.327 -6.560 -5.530
253 HZ3 LYS 36 2HZ LYS 36 -2.153 -8.181 -5.077
254 H GLU 37 H GLU 37 4.436 -3.442 -8.008
255 HA GLU 37 HA GLU 37 5.780 -5.885 -7.715
256 HB2 GLU 37 2HB GLU 37 5.859 -4.117 -9.628
257 HB3 GLU 37 1HB GLU 37 7.175 -3.415 -8.697
258 HG2 GLU 37 2HG GLU 37 8.094 -5.872 -8.741
259 HG3 GLU 37 1HG GLU 37 7.048 -6.009 -10.152
260 H ASP 38 H ASP 38 6.362 -2.717 -6.225
261 HA ASP 38 HA ASP 38 8.841 -3.228 -5.049
262 HB2 ASP 38 2HB ASP 38 6.574 -1.379 -4.454
263 HB3 ASP 38 1HB ASP 38 7.781 -1.609 -3.195
264 H LEU 39 H LEU 39 5.571 -3.760 -3.768
265 HA LEU 39 HA LEU 39 6.382 -4.835 -1.284
266 HB2 LEU 39 2HB LEU 39 3.829 -5.451 -2.764
267 HB3 LEU 39 1HB LEU 39 4.105 -5.577 -1.038
268 HG LEU 39 HG LEU 39 4.468 -2.904 -2.295
269 HD11 LEU 39 1HD1 LEU 39 1.909 -2.658 -1.738
270 HD12 LEU 39 2HD1 LEU 39 1.894 -4.378 -2.129
271 HD13 LEU 39 3HD1 LEU 39 2.455 -3.208 -3.322
272 HD21 LEU 39 3HD2 LEU 39 3.604 -2.146 -0.165
273 HD22 LEU 39 1HD2 LEU 39 4.911 -3.301 0.094
274 HD23 LEU 39 2HD2 LEU 39 3.233 -3.804 0.305
275 H GLU 40 H GLU 40 5.704 -6.331 -4.428
276 HA GLU 40 HA GLU 40 5.831 -9.020 -3.569
277 HB2 GLU 40 2HB GLU 40 6.277 -7.729 -6.251
278 HB3 GLU 40 1HB GLU 40 6.386 -9.466 -6.016
279 HG2 GLU 40 2HG GLU 40 4.037 -9.324 -5.059
280 HG3 GLU 40 1HG GLU 40 3.986 -7.693 -5.723
281 H ASN 41 H ASN 41 8.329 -6.686 -4.270
282 HA ASN 41 HA ASN 41 10.392 -8.745 -4.369
283 HB2 ASN 41 2HB ASN 41 10.253 -5.854 -5.037
284 HB3 ASN 41 1HB ASN 41 11.808 -6.466 -4.482
285 HD21 ASN 41 1HD2 ASN 41 12.736 -6.117 -6.507
286 HD22 ASN 41 2HD2 ASN 41 12.398 -7.145 -7.854
287 H GLY 42 H GLY 42 9.285 -6.142 -2.244
288 HA2 GLY 42 2HA GLY 42 9.793 -7.009 0.178
289 HA3 GLY 42 1HA GLY 42 11.444 -6.722 -0.352
290 H GLU 43 H GLU 43 10.207 -4.391 -2.014
291 HA GLU 43 HA GLU 43 10.847 -2.334 -0.185
292 HB2 GLU 43 2HB GLU 43 9.634 -2.359 -2.940
293 HB3 GLU 43 1HB GLU 43 9.815 -0.863 -2.037
294 HG2 GLU 43 2HG GLU 43 12.301 -1.768 -1.802
295 HG3 GLU 43 1HG GLU 43 11.859 -2.578 -3.305
296 H ASP 44 H ASP 44 9.424 -2.819 1.559
297 HA ASP 44 HA ASP 44 6.579 -2.270 1.155
298 HB2 ASP 44 2HB ASP 44 6.467 -2.933 3.632
299 HB3 ASP 44 1HB ASP 44 6.886 -4.194 2.482
300 H VAL 45 H VAL 45 8.319 -0.092 0.795
301 HA VAL 45 HA VAL 45 7.571 1.577 3.096
302 HB VAL 45 HB VAL 45 9.986 1.255 3.127
303 HG11 VAL 45 1HG1 VAL 45 11.439 1.874 1.358
304 HG12 VAL 45 2HG1 VAL 45 10.123 2.608 0.442
305 HG13 VAL 45 3HG1 VAL 45 10.186 0.858 0.643
306 HG21 VAL 45 3HG2 VAL 45 8.736 3.544 3.523
307 HG22 VAL 45 1HG2 VAL 45 9.713 4.047 2.144
308 HG23 VAL 45 2HG2 VAL 45 10.493 3.431 3.601
309 H ALA 46 H ALA 46 6.442 3.347 2.666
310 HA ALA 46 HA ALA 46 6.196 4.173 -0.150
311 HB1 ALA 46 1HB ALA 46 4.172 3.232 1.340
312 HB2 ALA 46 2HB ALA 46 3.961 4.426 0.061
313 HB3 ALA 46 3HB ALA 46 4.062 4.946 1.742
314 H THR 47 H THR 47 6.575 6.249 -0.673
315 HA THR 47 HA THR 47 7.281 8.082 1.519
316 HB THR 47 HB THR 47 8.203 8.366 -1.339
317 HG1 THR 47 1HG THR 47 9.140 6.490 -0.872
318 HG21 THR 47 3HG2 THR 47 10.098 9.160 0.641
319 HG22 THR 47 1HG2 THR 47 8.553 9.951 0.952
320 HG23 THR 47 2HG2 THR 47 9.330 10.123 -0.622
321 H CYS 48 H CYS 48 6.057 9.830 1.809
322 HA CYS 48 HA CYS 48 3.846 10.349 0.046
323 HB2 CYS 48 2HB CYS 48 3.597 10.557 2.484
324 HB3 CYS 48 1HB CYS 48 4.774 11.867 2.496
325 HA PRO 49 HA PRO 49 5.988 13.404 -2.374
326 HB2 PRO 49 2HB PRO 49 3.940 14.173 -3.932
327 HB3 PRO 49 1HB PRO 49 4.686 12.578 -4.087
328 HG2 PRO 49 2HG PRO 49 2.134 13.358 -2.749
329 HG3 PRO 49 1HG PRO 49 2.492 11.927 -3.730
330 HD2 PRO 49 2HD PRO 49 2.438 11.972 -0.970
331 HD3 PRO 49 1HD PRO 49 3.310 10.772 -1.944
332 H SER 50 H SER 50 5.341 14.343 0.201
333 HA SER 50 HA SER 50 5.000 17.142 -0.350
334 HB2 SER 50 2HB SER 50 2.802 15.549 0.772
335 HB3 SER 50 1HB SER 50 3.221 16.960 1.745
336 HG SER 50 HG SER 50 1.771 17.668 0.257
337 H CYS 51 H CYS 51 4.630 15.039 2.525
338 HA CYS 51 HA CYS 51 6.435 16.705 4.037
339 HB2 CYS 51 2HB CYS 51 5.979 15.183 5.894
340 HB3 CYS 51 1HB CYS 51 4.480 15.684 5.116
341 H SER 52 H SER 52 6.669 13.764 2.194
342 HA SER 52 HA SER 52 8.440 12.482 1.586
343 HB2 SER 52 2HB SER 52 9.571 14.921 1.839
344 HB3 SER 52 1HB SER 52 10.465 14.051 3.085
345 HG SER 52 HG SER 52 11.097 12.551 1.519
346 H LEU 53 H LEU 53 6.955 11.869 3.911
347 HA LEU 53 HA LEU 53 8.854 10.959 5.917
348 HB2 LEU 53 2HB LEU 53 5.886 11.119 5.694
349 HB3 LEU 53 1HB LEU 53 6.560 9.925 6.784
350 HG LEU 53 HG LEU 53 7.336 12.825 6.954
351 HD11 LEU 53 1HD1 LEU 53 5.198 13.251 7.466
352 HD12 LEU 53 2HD1 LEU 53 5.579 12.465 8.998
353 HD13 LEU 53 3HD1 LEU 53 4.809 11.548 7.703
354 HD21 LEU 53 3HD2 LEU 53 7.750 10.377 8.567
355 HD22 LEU 53 1HD2 LEU 53 7.464 11.878 9.447
356 HD23 LEU 53 2HD2 LEU 53 8.809 11.764 8.312
357 H ILE 54 H ILE 54 8.163 8.595 6.777
358 HA ILE 54 HA ILE 54 8.057 6.808 4.438
359 HB ILE 54 HB ILE 54 9.642 5.284 5.605
360 HG12 ILE 54 2HG1 ILE 54 10.061 7.665 7.429
361 HG13 ILE 54 1HG1 ILE 54 9.345 6.126 7.892
362 HG21 ILE 54 1HG2 ILE 54 10.887 7.981 5.129
363 HG22 ILE 54 2HG2 ILE 54 10.293 6.951 3.826
364 HG23 ILE 54 3HG2 ILE 54 11.600 6.389 4.868
365 HD11 ILE 54 3HD1 ILE 54 11.798 6.572 8.483
366 HD12 ILE 54 1HD1 ILE 54 12.116 6.254 6.778
367 HD13 ILE 54 2HD1 ILE 54 11.374 5.009 7.783
368 H ILE 55 H ILE 55 6.954 4.897 4.677
369 HA ILE 55 HA ILE 55 5.817 4.235 7.290
370 HB ILE 55 HB ILE 55 3.571 3.848 6.252
371 HG12 ILE 55 2HG1 ILE 55 4.235 5.793 4.096
372 HG13 ILE 55 1HG1 ILE 55 4.740 4.123 3.863
373 HG21 ILE 55 1HG2 ILE 55 2.876 6.198 6.362
374 HG22 ILE 55 2HG2 ILE 55 4.566 6.693 6.290
375 HG23 ILE 55 3HG2 ILE 55 3.976 5.770 7.672
376 HD11 ILE 55 3HD1 ILE 55 2.710 3.832 3.001
377 HD12 ILE 55 1HD1 ILE 55 2.090 5.316 3.722
378 HD13 ILE 55 2HD1 ILE 55 2.149 3.833 4.673
379 H LYS 56 H LYS 56 5.446 2.070 7.600
380 HA LYS 56 HA LYS 56 6.561 0.303 5.568
381 HB2 LYS 56 2HB LYS 56 6.897 0.348 8.256
382 HB3 LYS 56 1HB LYS 56 5.600 -0.830 8.123
383 HG2 LYS 56 2HG LYS 56 8.107 -1.049 6.494
384 HG3 LYS 56 1HG LYS 56 7.988 -1.696 8.132
385 HD2 LYS 56 2HD LYS 56 5.884 -2.903 7.288
386 HD3 LYS 56 1HD LYS 56 6.473 -2.512 5.671
387 HE2 LYS 56 2HE LYS 56 7.353 -4.624 6.034
388 HE3 LYS 56 1HE LYS 56 8.690 -3.563 6.472
389 HZ1 LYS 56 3HZ LYS 56 7.877 -5.536 8.017
390 HZ2 LYS 56 1HZ LYS 56 6.856 -4.325 8.610
391 HZ3 LYS 56 2HZ LYS 56 8.532 -4.111 8.647
392 H VAL 57 H VAL 57 5.504 -1.176 4.457
393 HA VAL 57 HA VAL 57 2.591 -1.284 4.822
394 HB VAL 57 HB VAL 57 3.755 -2.294 2.290
395 HG11 VAL 57 1HG1 VAL 57 1.412 -0.576 3.067
396 HG12 VAL 57 2HG1 VAL 57 1.380 -2.273 2.593
397 HG13 VAL 57 3HG1 VAL 57 1.791 -1.032 1.407
398 HG21 VAL 57 3HG2 VAL 57 4.151 0.492 3.228
399 HG22 VAL 57 1HG2 VAL 57 3.578 0.280 1.573
400 HG23 VAL 57 2HG2 VAL 57 5.091 -0.465 2.086
401 H ILE 58 H ILE 58 1.922 -3.060 5.825
402 HA ILE 58 HA ILE 58 3.508 -5.504 5.706
403 HB ILE 58 HB ILE 58 0.946 -5.070 7.240
404 HG12 ILE 58 2HG1 ILE 58 2.630 -3.382 7.889
405 HG13 ILE 58 1HG1 ILE 58 2.319 -4.533 9.186
406 HG21 ILE 58 1HG2 ILE 58 3.076 -7.167 7.234
407 HG22 ILE 58 2HG2 ILE 58 1.322 -7.350 7.208
408 HG23 ILE 58 3HG2 ILE 58 2.135 -6.861 8.694
409 HD11 ILE 58 3HD1 ILE 58 4.701 -3.964 8.923
410 HD12 ILE 58 1HD1 ILE 58 4.664 -4.667 7.306
411 HD13 ILE 58 2HD1 ILE 58 4.375 -5.686 8.717
412 H TYR 59 H TYR 59 2.944 -7.319 4.641
413 HA TYR 59 HA TYR 59 0.254 -7.720 3.643
414 HB2 TYR 59 2HB TYR 59 1.151 -8.043 1.271
415 HB3 TYR 59 1HB TYR 59 1.012 -6.379 1.834
416 HD1 TYR 59 1HD TYR 59 3.351 -9.089 1.011
417 HD2 TYR 59 2HD TYR 59 2.975 -5.029 2.222
418 HE1 TYR 59 1HE TYR 59 5.730 -8.730 0.525
419 HE2 TYR 59 2HE TYR 59 5.343 -4.657 1.729
420 HH TYR 59 HH TYR 59 7.203 -6.658 -0.087
421 H ASP 60 H ASP 60 0.261 -9.819 2.215
422 HA ASP 60 HA ASP 60 1.606 -11.844 3.787
423 HB2 ASP 60 2HB ASP 60 -0.838 -11.817 2.666
424 HB3 ASP 60 1HB ASP 60 0.053 -12.613 1.372
425 H LYS 61 H LYS 61 3.727 -12.045 3.326
426 HA LYS 61 HA LYS 61 4.926 -11.620 0.827
427 HB2 LYS 61 2HB LYS 61 5.890 -13.351 3.111
428 HB3 LYS 61 1HB LYS 61 6.875 -12.836 1.749
429 HG2 LYS 61 2HG LYS 61 5.514 -10.769 3.408
430 HG3 LYS 61 1HG LYS 61 6.962 -11.563 4.030
431 HD2 LYS 61 2HD LYS 61 8.278 -10.795 2.219
432 HD3 LYS 61 1HD LYS 61 6.855 -10.301 1.300
433 HE2 LYS 61 2HE LYS 61 7.364 -8.256 2.093
434 HE3 LYS 61 1HE LYS 61 6.525 -8.824 3.535
435 HZ1 LYS 61 3HZ LYS 61 9.362 -8.355 3.097
436 HZ2 LYS 61 1HZ LYS 61 8.972 -9.706 4.039
437 HZ3 LYS 61 2HZ LYS 61 8.438 -8.169 4.500
438 H ASP 62 H ASP 62 3.376 -14.455 2.187
439 HA ASP 62 HA ASP 62 4.400 -16.369 0.370
440 HB2 ASP 62 2HB ASP 62 2.115 -16.256 2.280
441 HB3 ASP 62 1HB ASP 62 2.075 -17.497 1.032
442 H GLN 63 H GLN 63 1.541 -14.275 0.308
443 HA GLN 63 HA GLN 63 0.560 -15.392 -2.157
444 HB2 GLN 63 2HB GLN 63 -0.220 -12.957 -0.559
445 HB3 GLN 63 1HB GLN 63 -1.003 -13.398 -2.068
446 HG2 GLN 63 2HG GLN 63 -1.274 -15.717 -0.817
447 HG3 GLN 63 1HG GLN 63 -1.157 -14.677 0.601
448 HE21 GLN 63 1HE2 GLN 63 -3.190 -14.638 1.332
449 HE22 GLN 63 2HE2 GLN 63 -4.564 -14.131 0.416
450 H PHE 64 H PHE 64 2.249 -12.411 -1.212
451 HA PHE 64 HA PHE 64 2.301 -11.275 -3.814
452 HB2 PHE 64 2HB PHE 64 3.735 -10.736 -1.244
453 HB3 PHE 64 1HB PHE 64 4.345 -10.003 -2.723
454 HD1 PHE 64 1HD PHE 64 1.187 -10.395 -0.780
455 HD2 PHE 64 2HD PHE 64 3.491 -7.971 -3.414
456 HE1 PHE 64 1HE PHE 64 -0.474 -8.595 -0.570
457 HE2 PHE 64 2HE PHE 64 1.833 -6.166 -3.207
458 HZ PHE 64 HZ PHE 64 -0.154 -6.475 -1.784
459 H VAL 65 H VAL 65 4.571 -13.347 -2.039
460 HA VAL 65 HA VAL 65 6.218 -13.522 -4.482
461 HB VAL 65 HB VAL 65 7.122 -14.175 -1.676
462 HG11 VAL 65 1HG1 VAL 65 8.417 -14.135 -4.358
463 HG12 VAL 65 2HG1 VAL 65 8.599 -15.281 -3.030
464 HG13 VAL 65 3HG1 VAL 65 9.380 -13.702 -2.945
465 HG21 VAL 65 3HG2 VAL 65 8.482 -11.968 -2.135
466 HG22 VAL 65 1HG2 VAL 65 6.856 -11.909 -1.457
467 HG23 VAL 65 2HG2 VAL 65 7.105 -11.601 -3.175
468 H SER 66 H SER 66 5.094 -15.214 -5.461
469 HA SER 66 HA SER 66 5.833 -17.831 -4.582
470 HB2 SER 66 2HB SER 66 3.172 -16.813 -3.893
471 HB3 SER 66 1HB SER 66 3.123 -18.327 -4.795
472 HG SER 66 HG SER 66 3.353 -18.988 -2.753
473 H GLY 67 H GLY 67 6.786 -17.577 -6.720
474 HA2 GLY 67 2HA GLY 67 4.854 -17.810 -8.936
475 HA3 GLY 67 1HA GLY 67 6.540 -17.332 -9.105
476 H GLU 68 H GLU 68 7.908 -19.255 -7.789
477 HA GLU 68 HA GLU 68 7.330 -21.637 -9.403
478 HB2 GLU 68 2HB GLU 68 9.629 -20.241 -9.232
479 HB3 GLU 68 1HB GLU 68 9.902 -21.399 -7.939
480 HG2 GLU 68 2HG GLU 68 10.729 -22.683 -9.566
481 HG3 GLU 68 1HG GLU 68 9.038 -23.032 -9.920
482 H THR 69 H THR 69 5.862 -21.123 -6.954
483 HA THR 69 HA THR 69 6.665 -23.512 -5.445
484 HB THR 69 HB THR 69 7.365 -21.514 -4.184
485 HG1 THR 69 1HG THR 69 6.802 -22.503 -2.429
486 HG21 THR 69 3HG2 THR 69 4.482 -20.807 -3.816
487 HG22 THR 69 1HG2 THR 69 5.481 -20.048 -5.054
488 HG23 THR 69 2HG2 THR 69 5.917 -19.894 -3.353
489 H VAL 70 H VAL 70 4.934 -24.600 -4.332
490 HA VAL 70 HA VAL 70 2.212 -23.842 -5.136
491 HB VAL 70 HB VAL 70 3.246 -26.665 -5.434
492 HG11 VAL 70 1HG1 VAL 70 0.868 -26.546 -5.042
493 HG12 VAL 70 2HG1 VAL 70 1.166 -26.978 -6.726
494 HG13 VAL 70 3HG1 VAL 70 0.688 -25.333 -6.310
495 HG21 VAL 70 3HG2 VAL 70 3.028 -24.460 -7.464
496 HG22 VAL 70 1HG2 VAL 70 2.989 -26.162 -7.923
497 HG23 VAL 70 2HG2 VAL 70 4.406 -25.502 -7.109
498 HA PRO 71 HA PRO 71 1.216 -24.781 -0.906
499 HB2 PRO 71 2HB PRO 71 -1.417 -25.662 -1.955
500 HB3 PRO 71 1HB PRO 71 -1.041 -24.423 -0.753
501 HG2 PRO 71 2HG PRO 71 -1.831 -23.755 -3.210
502 HG3 PRO 71 1HG PRO 71 -0.592 -22.814 -2.358
503 HD2 PRO 71 2HD PRO 71 -0.276 -24.834 -4.540
504 HD3 PRO 71 1HD PRO 71 0.582 -23.297 -4.294
505 H ALA 72 H ALA 72 0.105 -26.602 0.396
506 HA ALA 72 HA ALA 72 0.460 -29.222 -0.873
507 HB1 ALA 72 1HB ALA 72 1.916 -30.044 0.755
508 HB2 ALA 72 2HB ALA 72 1.595 -28.701 1.850
509 HB3 ALA 72 3HB ALA 72 2.545 -28.437 0.388
510 HA PRO 73 HA PRO 73 -3.452 -29.650 1.338
511 HB2 PRO 73 2HB PRO 73 -4.072 -32.095 0.315
512 HB3 PRO 73 1HB PRO 73 -4.315 -30.590 -0.576
513 HG2 PRO 73 2HG PRO 73 -2.084 -32.575 -0.780
514 HG3 PRO 73 1HG PRO 73 -2.949 -31.726 -2.074
515 HD2 PRO 73 2HD PRO 73 -0.504 -30.956 -1.196
516 HD3 PRO 73 1HD PRO 73 -1.705 -29.804 -1.814
517 H SER 74 H SER 74 -2.708 -29.871 3.449
518 HA SER 74 HA SER 74 -2.174 -30.890 5.409
519 HB2 SER 74 2HB SER 74 -3.285 -33.283 3.927
520 HB3 SER 74 1HB SER 74 -2.862 -33.303 5.640
521 HG SER 74 HG SER 74 -5.119 -32.818 5.116
522 H ALA 75 H ALA 75 -0.075 -30.547 3.521
523 HA ALA 75 HA ALA 75 1.783 -32.565 4.513
524 HB1 ALA 75 1HB ALA 75 1.007 -32.240 1.672
525 HB2 ALA 75 2HB ALA 75 1.547 -33.674 2.546
526 HB3 ALA 75 3HB ALA 75 2.722 -32.473 2.011
527 H ASN 76 H ASN 76 4.108 -31.948 3.778
528 HA ASN 76 HA ASN 76 4.413 -29.029 3.609
529 HB2 ASN 76 2HB ASN 76 5.612 -30.865 5.674
530 HB3 ASN 76 1HB ASN 76 6.380 -29.338 5.258
531 HD21 ASN 76 1HD2 ASN 76 5.067 -30.332 7.742
532 HD22 ASN 76 2HD2 ASN 76 3.897 -29.122 8.137
533 H LYS 77 H LYS 77 6.621 -28.356 2.962
534 HA LYS 77 HA LYS 77 7.615 -30.142 0.900
535 HB2 LYS 77 2HB LYS 77 7.918 -27.246 1.526
536 HB3 LYS 77 1HB LYS 77 9.198 -28.023 0.607
537 HG2 LYS 77 2HG LYS 77 7.221 -28.891 -0.864
538 HG3 LYS 77 1HG LYS 77 6.359 -27.532 -0.142
539 HD2 LYS 77 2HD LYS 77 7.267 -26.662 -2.120
540 HD3 LYS 77 1HD LYS 77 8.366 -26.111 -0.853
541 HE2 LYS 77 2HE LYS 77 9.064 -28.711 -2.020
542 HE3 LYS 77 1HE LYS 77 9.119 -27.368 -3.160
543 HZ1 LYS 77 3HZ LYS 77 10.890 -26.461 -2.137
544 HZ2 LYS 77 1HZ LYS 77 11.145 -28.035 -1.575
545 HZ3 LYS 77 2HZ LYS 77 10.385 -26.896 -0.583
546 H GLU 78 H GLU 78 8.936 -31.698 1.636
547 HA GLU 78 HA GLU 78 11.391 -30.848 2.979
548 HB2 GLU 78 2HB GLU 78 9.470 -32.926 3.998
549 HB3 GLU 78 1HB GLU 78 11.179 -32.996 4.402
550 HG2 GLU 78 2HG GLU 78 10.659 -30.434 5.027
551 HG3 GLU 78 1HG GLU 78 9.083 -31.156 5.341
552 H LEU 79 H LEU 79 10.963 -31.517 0.262
553 HA LEU 79 HA LEU 79 12.372 -34.096 0.055
554 HB2 LEU 79 2HB LEU 79 11.544 -34.135 -2.310
555 HB3 LEU 79 1HB LEU 79 10.302 -34.296 -1.084
556 HG LEU 79 HG LEU 79 10.833 -31.567 -2.142
557 HD11 LEU 79 1HD1 LEU 79 9.448 -33.744 -3.693
558 HD12 LEU 79 2HD1 LEU 79 10.837 -32.782 -4.194
559 HD13 LEU 79 3HD1 LEU 79 9.255 -32.022 -4.023
560 HD21 LEU 79 3HD2 LEU 79 8.760 -31.125 -1.371
561 HD22 LEU 79 1HD2 LEU 79 9.038 -32.564 -0.391
562 HD23 LEU 79 2HD2 LEU 79 8.116 -32.682 -1.890
563 H VAL 80 H VAL 80 13.689 -31.626 0.650
564 HA VAL 80 HA VAL 80 15.159 -31.080 -1.842
565 HB VAL 80 HB VAL 80 15.131 -29.406 0.677
566 HG11 VAL 80 1HG1 VAL 80 16.108 -27.677 -0.782
567 HG12 VAL 80 2HG1 VAL 80 16.176 -28.850 -2.097
568 HG13 VAL 80 3HG1 VAL 80 17.139 -29.102 -0.641
569 HG21 VAL 80 3HG2 VAL 80 13.838 -28.355 -1.746
570 HG22 VAL 80 1HG2 VAL 80 13.357 -28.231 -0.054
571 HG23 VAL 80 2HG2 VAL 80 12.993 -29.694 -0.969
572 H LYS 81 H LYS 81 17.345 -31.407 -1.948
573 HA LYS 81 HA LYS 81 18.526 -33.006 0.166
574 HB2 LYS 81 2HB LYS 81 20.473 -33.159 -1.449
575 HB3 LYS 81 1HB LYS 81 18.955 -33.847 -2.005
576 HG2 LYS 81 2HG LYS 81 18.733 -32.349 -3.676
577 HG3 LYS 81 1HG LYS 81 19.435 -31.031 -2.738
578 HD2 LYS 81 2HD LYS 81 21.258 -33.235 -3.500
579 HD3 LYS 81 1HD LYS 81 20.685 -32.198 -4.808
580 HE2 LYS 81 2HE LYS 81 22.004 -31.224 -2.275
581 HE3 LYS 81 1HE LYS 81 22.820 -31.428 -3.824
582 HZ1 LYS 81 3HZ LYS 81 22.275 -29.259 -4.015
583 HZ2 LYS 81 1HZ LYS 81 20.950 -29.365 -2.968
584 HZ3 LYS 81 2HZ LYS 81 20.806 -29.885 -4.571
585 H LEU 82 H LEU 82 19.542 -32.096 1.817
586 HA LEU 82 HA LEU 82 21.214 -29.726 1.317
587 HB2 LEU 82 2HB LEU 82 18.891 -29.467 2.594
588 HB3 LEU 82 1HB LEU 82 19.861 -29.997 3.954
589 HG LEU 82 HG LEU 82 21.472 -28.064 3.119
590 HD11 LEU 82 1HD1 LEU 82 20.362 -27.316 1.198
591 HD12 LEU 82 2HD1 LEU 82 19.961 -26.124 2.434
592 HD13 LEU 82 3HD1 LEU 82 18.785 -27.357 1.984
593 HD21 LEU 82 3HD2 LEU 82 20.073 -28.395 5.291
594 HD22 LEU 82 1HD2 LEU 82 19.010 -27.187 4.568
595 HD23 LEU 82 2HD2 LEU 82 20.699 -26.795 4.886
596 H GLU 83 H GLU 83 22.006 -32.494 1.417
597 HA GLU 83 HA GLU 83 23.819 -32.368 3.728
598 HB2 GLU 83 2HB GLU 83 21.800 -34.110 3.766
599 HB3 GLU 83 1HB GLU 83 22.920 -35.053 2.794
600 HG2 GLU 83 2HG GLU 83 23.676 -35.792 4.758
601 HG3 GLU 83 1HG GLU 83 24.529 -34.252 4.830
602 H HIS 84 H HIS 84 23.201 -34.046 0.636
603 HA HIS 84 HA HIS 84 26.021 -33.668 -0.058
604 HB2 HIS 84 2HB HIS 84 25.410 -36.040 0.866
605 HB3 HIS 84 1HB HIS 84 24.691 -36.274 -0.723
606 HD1 HIS 84 1HD HIS 84 27.965 -34.505 0.025
607 HD2 HIS 84 2HD HIS 84 26.541 -37.928 -1.852
608 HE1 HIS 84 1HE HIS 84 29.961 -35.533 -1.102
609 HE2 HIS 84 2HE HIS 84 29.097 -37.660 -2.139
Start of MODEL 11
1 H1 MET 1 1HT MET 1 14.180 1.913 19.172
2 H2 MET 1 2HT MET 1 12.725 1.823 18.267
3 H3 MET 1 3HT MET 1 13.962 2.917 17.802
4 HA MET 1 HA MET 1 15.421 0.920 17.549
5 HB2 MET 1 2HB MET 1 12.731 -0.455 17.397
6 HB3 MET 1 1HB MET 1 14.315 -1.198 17.235
7 HG2 MET 1 2HG MET 1 14.540 -0.122 19.696
8 HG3 MET 1 1HG MET 1 12.807 -0.442 19.646
9 HE1 MET 1 2HE MET 1 15.446 -1.708 21.399
10 HE2 MET 1 3HE MET 1 14.820 -3.332 21.685
11 HE3 MET 1 1HE MET 1 13.771 -1.931 21.902
12 H ALA 2 H ALA 2 12.132 1.186 16.147
13 HA ALA 2 HA ALA 2 13.170 1.058 13.463
14 HB1 ALA 2 1HB ALA 2 10.444 1.274 14.667
15 HB2 ALA 2 2HB ALA 2 11.106 0.040 13.594
16 HB3 ALA 2 3HB ALA 2 10.675 1.626 12.954
17 H VAL 3 H VAL 3 12.785 2.699 11.834
18 HA VAL 3 HA VAL 3 12.761 5.431 12.947
19 HB VAL 3 HB VAL 3 14.257 4.632 10.450
20 HG11 VAL 3 1HG1 VAL 3 14.844 6.776 10.286
21 HG12 VAL 3 2HG1 VAL 3 15.243 6.881 12.000
22 HG13 VAL 3 3HG1 VAL 3 13.578 7.110 11.468
23 HG21 VAL 3 3HG2 VAL 3 16.276 4.453 11.696
24 HG22 VAL 3 1HG2 VAL 3 15.093 3.407 12.479
25 HG23 VAL 3 2HG2 VAL 3 15.482 4.977 13.180
26 H PHE 4 H PHE 4 10.483 3.887 11.960
27 HA PHE 4 HA PHE 4 9.770 5.399 9.531
28 HB2 PHE 4 2HB PHE 4 9.085 2.677 10.523
29 HB3 PHE 4 1HB PHE 4 7.833 3.548 9.646
30 HD1 PHE 4 1HD PHE 4 11.526 3.455 9.113
31 HD2 PHE 4 2HD PHE 4 7.660 2.521 7.598
32 HE1 PHE 4 1HE PHE 4 12.534 2.749 6.983
33 HE2 PHE 4 2HE PHE 4 8.659 1.816 5.467
34 HZ PHE 4 HZ PHE 4 11.100 1.927 5.156
35 H HIS 5 H HIS 5 7.245 5.674 9.409
36 HA HIS 5 HA HIS 5 6.507 7.249 11.726
37 HB2 HIS 5 2HB HIS 5 6.087 7.665 9.101
38 HB3 HIS 5 1HB HIS 5 4.574 6.862 9.498
39 HD1 HIS 5 1HD HIS 5 3.100 8.914 9.260
40 HD2 HIS 5 2HD HIS 5 6.231 9.452 11.940
41 HE1 HIS 5 1HE HIS 5 2.615 11.084 10.434
42 HE2 HIS 5 2HE HIS 5 4.463 11.330 12.128
43 H ASP 6 H ASP 6 4.804 4.740 9.829
44 HA ASP 6 HA ASP 6 4.042 3.270 12.155
45 HB2 ASP 6 2HB ASP 6 2.178 5.289 11.055
46 HB3 ASP 6 1HB ASP 6 1.481 3.700 11.350
47 H GLU 7 H GLU 7 3.405 1.209 11.639
48 HA GLU 7 HA GLU 7 3.523 0.489 8.815
49 HB2 GLU 7 2HB GLU 7 3.269 -1.373 11.181
50 HB3 GLU 7 1HB GLU 7 3.763 -1.787 9.549
51 HG2 GLU 7 2HG GLU 7 5.841 -1.626 10.310
52 HG3 GLU 7 1HG GLU 7 5.596 0.118 10.252
53 H VAL 8 H VAL 8 1.818 -0.174 7.620
54 HA VAL 8 HA VAL 8 -0.720 -0.754 8.989
55 HB VAL 8 HB VAL 8 -0.550 0.943 6.496
56 HG11 VAL 8 1HG1 VAL 8 -2.623 -0.468 7.028
57 HG12 VAL 8 2HG1 VAL 8 -2.859 1.245 6.688
58 HG13 VAL 8 3HG1 VAL 8 -2.890 0.666 8.353
59 HG21 VAL 8 3HG2 VAL 8 0.418 2.061 8.527
60 HG22 VAL 8 1HG2 VAL 8 -1.171 1.916 9.278
61 HG23 VAL 8 2HG2 VAL 8 -0.973 2.880 7.815
62 H GLU 9 H GLU 9 -1.990 -2.311 8.054
63 HA GLU 9 HA GLU 9 -0.746 -4.176 6.320
64 HB2 GLU 9 2HB GLU 9 -3.589 -3.914 7.301
65 HB3 GLU 9 1HB GLU 9 -3.052 -5.237 6.276
66 HG2 GLU 9 2HG GLU 9 -1.457 -5.932 7.977
67 HG3 GLU 9 1HG GLU 9 -1.946 -4.582 9.000
68 H ILE 10 H ILE 10 -1.013 -4.595 4.179
69 HA ILE 10 HA ILE 10 -1.546 -2.534 2.405
70 HB ILE 10 HB ILE 10 -0.244 -4.567 1.859
71 HG12 ILE 10 2HG1 ILE 10 -1.285 -4.871 -0.481
72 HG13 ILE 10 1HG1 ILE 10 -2.480 -3.690 0.045
73 HG21 ILE 10 1HG2 ILE 10 -1.823 -6.200 2.849
74 HG22 ILE 10 2HG2 ILE 10 -1.314 -6.616 1.213
75 HG23 ILE 10 3HG2 ILE 10 -2.911 -5.922 1.488
76 HD11 ILE 10 3HD1 ILE 10 0.414 -3.051 0.319
77 HD12 ILE 10 1HD1 ILE 10 -0.963 -1.975 0.083
78 HD13 ILE 10 2HD1 ILE 10 -0.360 -2.942 -1.262
79 H GLU 11 H GLU 11 -3.753 -4.879 3.794
80 HA GLU 11 HA GLU 11 -5.913 -4.624 2.028
81 HB2 GLU 11 2HB GLU 11 -5.633 -6.293 3.921
82 HB3 GLU 11 1HB GLU 11 -6.142 -5.015 5.013
83 HG2 GLU 11 2HG GLU 11 -8.264 -4.847 3.723
84 HG3 GLU 11 1HG GLU 11 -7.752 -6.254 2.794
85 H ASP 12 H ASP 12 -4.842 -2.590 4.694
86 HA ASP 12 HA ASP 12 -7.193 -0.972 4.795
87 HB2 ASP 12 2HB ASP 12 -5.193 -1.333 6.527
88 HB3 ASP 12 1HB ASP 12 -4.575 0.106 5.723
89 H PHE 13 H PHE 13 -4.247 -0.919 2.925
90 HA PHE 13 HA PHE 13 -4.325 1.780 2.080
91 HB2 PHE 13 2HB PHE 13 -3.033 -0.709 0.989
92 HB3 PHE 13 1HB PHE 13 -2.964 0.802 0.093
93 HD1 PHE 13 2HD PHE 13 -2.231 -0.598 3.470
94 HD2 PHE 13 1HD PHE 13 -1.234 2.274 0.491
95 HE1 PHE 13 2HE PHE 13 -0.269 0.085 4.788
96 HE2 PHE 13 1HE PHE 13 0.730 2.959 1.802
97 HZ PHE 13 HZ PHE 13 1.214 1.866 3.955
98 H GLN 14 H GLN 14 -4.603 2.363 -0.307
99 HA GLN 14 HA GLN 14 -7.163 1.246 -1.219
100 HB2 GLN 14 2HB GLN 14 -5.918 3.935 -1.331
101 HB3 GLN 14 1HB GLN 14 -6.876 3.463 -2.728
102 HG2 GLN 14 2HG GLN 14 -8.828 3.215 -1.439
103 HG3 GLN 14 1HG GLN 14 -7.927 3.258 0.074
104 HE21 GLN 14 1HE2 GLN 14 -9.394 4.919 0.741
105 HE22 GLN 14 2HE2 GLN 14 -9.159 6.549 0.216
106 H TYR 15 H TYR 15 -6.902 -0.316 -2.690
107 HA TYR 15 HA TYR 15 -4.617 -0.608 -4.330
108 HB2 TYR 15 2HB TYR 15 -6.014 -2.525 -3.730
109 HB3 TYR 15 1HB TYR 15 -7.368 -1.839 -4.620
110 HD1 TYR 15 1HD TYR 15 -3.798 -2.804 -5.205
111 HD2 TYR 15 2HD TYR 15 -7.759 -2.647 -6.748
112 HE1 TYR 15 1HE TYR 15 -3.047 -3.980 -7.225
113 HE2 TYR 15 2HE TYR 15 -7.020 -3.824 -8.776
114 HH TYR 15 HH TYR 15 -3.729 -4.285 -9.549
115 H ASP 16 H ASP 16 -4.100 0.266 -6.220
116 HA ASP 16 HA ASP 16 -6.105 1.923 -7.581
117 HB2 ASP 16 2HB ASP 16 -3.802 2.806 -6.723
118 HB3 ASP 16 1HB ASP 16 -3.162 2.028 -8.165
119 H GLU 17 H GLU 17 -7.143 0.465 -8.885
120 HA GLU 17 HA GLU 17 -5.995 -1.617 -10.346
121 HB2 GLU 17 2HB GLU 17 -8.032 -1.298 -11.877
122 HB3 GLU 17 1HB GLU 17 -8.327 -1.683 -10.188
123 HG2 GLU 17 2HG GLU 17 -9.284 0.316 -9.756
124 HG3 GLU 17 1HG GLU 17 -8.232 1.187 -10.870
125 H ASP 18 H ASP 18 -6.048 1.793 -10.984
126 HA ASP 18 HA ASP 18 -5.744 2.016 -13.688
127 HB2 ASP 18 2HB ASP 18 -5.571 3.763 -11.648
128 HB3 ASP 18 1HB ASP 18 -3.864 3.641 -12.062
129 H SER 19 H SER 19 -3.084 1.452 -11.357
130 HA SER 19 HA SER 19 -1.646 -0.040 -13.389
131 HB2 SER 19 2HB SER 19 -1.071 2.488 -13.560
132 HB3 SER 19 1HB SER 19 -0.157 2.221 -12.076
133 HG SER 19 HG SER 19 1.293 1.803 -13.625
134 H GLU 20 H GLU 20 -2.839 -0.709 -10.842
135 HA GLU 20 HA GLU 20 -2.425 -1.832 -8.910
136 HB2 GLU 20 2HB GLU 20 0.203 -2.585 -10.180
137 HB3 GLU 20 1HB GLU 20 -0.727 -3.504 -9.004
138 HG2 GLU 20 2HG GLU 20 -2.549 -3.434 -10.908
139 HG3 GLU 20 1HG GLU 20 -1.132 -3.191 -11.928
140 H THR 21 H THR 21 -2.210 0.304 -7.844
141 HA THR 21 HA THR 21 0.400 0.490 -6.519
142 HB THR 21 HB THR 21 -1.111 2.947 -7.425
143 HG1 THR 21 1HG THR 21 0.095 3.003 -9.188
144 HG21 THR 21 3HG2 THR 21 1.708 2.607 -6.427
145 HG22 THR 21 1HG2 THR 21 0.372 3.346 -5.545
146 HG23 THR 21 2HG2 THR 21 0.991 4.109 -7.009
147 H TYR 22 H TYR 22 0.332 1.363 -4.388
148 HA TYR 22 HA TYR 22 -2.379 1.544 -3.235
149 HB2 TYR 22 2HB TYR 22 0.071 0.390 -1.882
150 HB3 TYR 22 1HB TYR 22 -1.552 0.476 -1.207
151 HD1 TYR 22 1HD TYR 22 0.533 -1.138 -3.791
152 HD2 TYR 22 2HD TYR 22 -3.204 -1.158 -1.756
153 HE1 TYR 22 1HE TYR 22 0.025 -3.340 -4.755
154 HE2 TYR 22 2HE TYR 22 -3.719 -3.362 -2.714
155 HH TYR 22 HH TYR 22 -1.959 -5.402 -3.690
156 H PHE 23 H PHE 23 -2.796 3.215 -1.855
157 HA PHE 23 HA PHE 23 -0.551 4.988 -1.146
158 HB2 PHE 23 2HB PHE 23 -3.279 5.958 -2.022
159 HB3 PHE 23 1HB PHE 23 -1.863 6.942 -1.676
160 HD1 PHE 23 1HD PHE 23 -3.120 4.314 -3.987
161 HD2 PHE 23 2HD PHE 23 -0.407 7.539 -3.387
162 HE1 PHE 23 1HE PHE 23 -2.481 4.214 -6.359
163 HE2 PHE 23 2HE PHE 23 0.236 7.443 -5.759
164 HZ PHE 23 HZ PHE 23 -0.801 5.779 -7.250
165 H TYR 24 H TYR 24 -0.925 6.376 0.709
166 HA TYR 24 HA TYR 24 -3.163 5.622 2.436
167 HB2 TYR 24 2HB TYR 24 -1.080 4.212 2.939
168 HB3 TYR 24 1HB TYR 24 -0.366 5.699 3.556
169 HD1 TYR 24 2HD TYR 24 -2.941 3.136 4.114
170 HD2 TYR 24 1HD TYR 24 -1.143 6.688 5.627
171 HE1 TYR 24 2HE TYR 24 -4.035 2.763 6.281
172 HE2 TYR 24 1HE TYR 24 -2.233 6.320 7.798
173 HH TYR 24 HH TYR 24 -4.722 4.623 8.345
174 HA PRO 25 HA PRO 25 -3.376 10.018 3.024
175 HB2 PRO 25 2HB PRO 25 -4.582 9.316 5.642
176 HB3 PRO 25 1HB PRO 25 -5.224 10.316 4.336
177 HG2 PRO 25 2HG PRO 25 -6.181 7.867 4.781
178 HG3 PRO 25 1HG PRO 25 -5.987 8.491 3.133
179 HD2 PRO 25 2HD PRO 25 -4.282 6.548 4.638
180 HD3 PRO 25 1HD PRO 25 -4.751 6.550 2.925
181 H CYS 26 H CYS 26 -1.833 11.354 3.684
182 HA CYS 26 HA CYS 26 -0.211 10.623 6.019
183 HB2 CYS 26 2HB CYS 26 0.716 11.177 3.605
184 HB3 CYS 26 1HB CYS 26 0.551 12.840 4.164
185 HA PRO 27 HA PRO 27 -2.087 13.951 8.285
186 HB2 PRO 27 2HB PRO 27 -0.327 14.124 10.329
187 HB3 PRO 27 1HB PRO 27 -1.473 12.788 10.171
188 HG2 PRO 27 2HG PRO 27 1.431 12.889 9.455
189 HG3 PRO 27 1HG PRO 27 0.521 11.597 10.257
190 HD2 PRO 27 2HD PRO 27 1.168 11.550 7.614
191 HD3 PRO 27 1HD PRO 27 -0.280 10.762 8.274
192 H CYS 28 H CYS 28 -1.079 15.093 6.157
193 HA CYS 28 HA CYS 28 0.115 17.518 7.153
194 HB2 CYS 28 2HB CYS 28 2.036 17.528 5.645
195 HB3 CYS 28 1HB CYS 28 2.116 16.144 6.727
196 H GLY 29 H GLY 29 -0.740 15.671 4.221
197 HA2 GLY 29 2HA GLY 29 -2.749 17.343 3.331
198 HA3 GLY 29 1HA GLY 29 -1.268 17.974 2.629
199 H ASP 30 H ASP 30 0.154 15.811 1.930
200 HA ASP 30 HA ASP 30 -1.428 14.698 -0.242
201 HB2 ASP 30 2HB ASP 30 1.413 15.200 0.291
202 HB3 ASP 30 1HB ASP 30 1.117 13.666 -0.517
203 H ASN 31 H ASN 31 -0.568 12.283 -0.814
204 HA ASN 31 HA ASN 31 -0.839 10.673 1.643
205 HB2 ASN 31 2HB ASN 31 -2.175 10.118 -1.017
206 HB3 ASN 31 1HB ASN 31 -2.251 9.083 0.404
207 HD21 ASN 31 1HD2 ASN 31 -4.350 9.168 0.921
208 HD22 ASN 31 2HD2 ASN 31 -5.225 10.616 1.271
209 H PHE 32 H PHE 32 0.330 8.791 1.769
210 HA PHE 32 HA PHE 32 2.742 8.571 0.358
211 HB2 PHE 32 2HB PHE 32 1.223 6.520 1.978
212 HB3 PHE 32 1HB PHE 32 2.849 6.261 1.363
213 HD1 PHE 32 1HD PHE 32 4.687 7.808 2.140
214 HD2 PHE 32 2HD PHE 32 0.858 7.655 3.991
215 HE1 PHE 32 1HE PHE 32 5.623 8.860 4.153
216 HE2 PHE 32 2HE PHE 32 1.788 8.708 6.009
217 HZ PHE 32 HZ PHE 32 4.174 9.310 6.094
218 H SER 33 H SER 33 3.447 6.577 -0.880
219 HA SER 33 HA SER 33 1.374 5.289 -2.455
220 HB2 SER 33 2HB SER 33 2.425 5.955 -4.617
221 HB3 SER 33 1HB SER 33 1.715 7.312 -3.746
222 HG SER 33 HG SER 33 4.348 6.795 -4.368
223 H ILE 34 H ILE 34 1.947 3.313 -3.214
224 HA ILE 34 HA ILE 34 4.728 2.510 -3.377
225 HB ILE 34 HB ILE 34 4.231 2.104 -1.008
226 HG12 ILE 34 2HG1 ILE 34 4.240 -0.677 -1.974
227 HG13 ILE 34 1HG1 ILE 34 5.411 0.367 -2.772
228 HG21 ILE 34 1HG2 ILE 34 2.285 -0.043 -1.664
229 HG22 ILE 34 2HG2 ILE 34 1.717 1.625 -1.658
230 HG23 ILE 34 3HG2 ILE 34 2.444 0.937 -0.207
231 HD11 ILE 34 3HD1 ILE 34 5.664 -0.916 -0.308
232 HD12 ILE 34 1HD1 ILE 34 5.485 0.799 0.059
233 HD13 ILE 34 2HD1 ILE 34 6.762 0.259 -1.030
234 H THR 35 H THR 35 4.957 1.262 -5.130
235 HA THR 35 HA THR 35 2.686 0.358 -6.606
236 HB THR 35 HB THR 35 4.306 -0.560 -8.191
237 HG1 THR 35 1HG THR 35 6.364 0.256 -6.434
238 HG21 THR 35 3HG2 THR 35 5.717 1.924 -7.496
239 HG22 THR 35 1HG2 THR 35 3.977 2.065 -7.746
240 HG23 THR 35 2HG2 THR 35 5.001 1.403 -9.022
241 H LYS 36 H LYS 36 2.067 -1.761 -7.127
242 HA LYS 36 HA LYS 36 2.043 -3.593 -5.001
243 HB2 LYS 36 2HB LYS 36 0.409 -3.405 -6.962
244 HB3 LYS 36 1HB LYS 36 1.579 -4.336 -7.887
245 HG2 LYS 36 2HG LYS 36 0.695 -5.420 -5.267
246 HG3 LYS 36 1HG LYS 36 -0.432 -5.484 -6.625
247 HD2 LYS 36 2HD LYS 36 2.398 -6.524 -6.738
248 HD3 LYS 36 1HD LYS 36 1.000 -7.525 -6.342
249 HE2 LYS 36 2HE LYS 36 0.772 -5.916 -8.803
250 HE3 LYS 36 1HE LYS 36 1.975 -7.204 -8.840
251 HZ1 LYS 36 3HZ LYS 36 -0.908 -7.520 -8.200
252 HZ2 LYS 36 1HZ LYS 36 0.237 -8.766 -8.161
253 HZ3 LYS 36 2HZ LYS 36 -0.141 -8.008 -9.626
254 H GLU 37 H GLU 37 4.060 -3.405 -7.900
255 HA GLU 37 HA GLU 37 5.336 -5.894 -7.669
256 HB2 GLU 37 2HB GLU 37 5.384 -4.115 -9.584
257 HB3 GLU 37 1HB GLU 37 6.782 -3.491 -8.721
258 HG2 GLU 37 2HG GLU 37 7.900 -5.633 -8.923
259 HG3 GLU 37 1HG GLU 37 6.486 -6.313 -9.729
260 H ASP 38 H ASP 38 6.066 -2.756 -6.207
261 HA ASP 38 HA ASP 38 8.601 -3.295 -5.179
262 HB2 ASP 38 2HB ASP 38 6.399 -1.424 -4.491
263 HB3 ASP 38 1HB ASP 38 7.592 -1.716 -3.232
264 H LEU 39 H LEU 39 5.399 -3.940 -3.806
265 HA LEU 39 HA LEU 39 6.252 -4.956 -1.329
266 HB2 LEU 39 2HB LEU 39 3.791 -5.815 -2.843
267 HB3 LEU 39 1HB LEU 39 4.046 -5.884 -1.111
268 HG LEU 39 HG LEU 39 3.891 -3.315 -2.689
269 HD11 LEU 39 1HD1 LEU 39 1.780 -4.589 -2.760
270 HD12 LEU 39 2HD1 LEU 39 1.642 -3.081 -1.858
271 HD13 LEU 39 3HD1 LEU 39 1.763 -4.616 -0.997
272 HD21 LEU 39 3HD2 LEU 39 3.453 -3.574 0.253
273 HD22 LEU 39 1HD2 LEU 39 4.000 -2.186 -0.687
274 HD23 LEU 39 2HD2 LEU 39 5.099 -3.529 -0.377
275 H GLU 40 H GLU 40 5.674 -6.557 -4.449
276 HA GLU 40 HA GLU 40 6.109 -9.199 -3.506
277 HB2 GLU 40 2HB GLU 40 6.130 -7.942 -6.235
278 HB3 GLU 40 1HB GLU 40 6.592 -9.624 -6.013
279 HG2 GLU 40 2HG GLU 40 4.371 -9.970 -4.885
280 HG3 GLU 40 1HG GLU 40 3.934 -8.352 -5.430
281 H ASN 41 H ASN 41 8.278 -6.655 -4.527
282 HA ASN 41 HA ASN 41 10.542 -8.444 -4.795
283 HB2 ASN 41 2HB ASN 41 10.045 -5.545 -5.246
284 HB3 ASN 41 1HB ASN 41 11.696 -6.031 -4.875
285 HD21 ASN 41 1HD2 ASN 41 12.752 -7.502 -6.277
286 HD22 ASN 41 2HD2 ASN 41 12.250 -7.668 -7.921
287 H GLY 42 H GLY 42 9.372 -6.024 -2.475
288 HA2 GLY 42 2HA GLY 42 10.059 -6.910 -0.121
289 HA3 GLY 42 1HA GLY 42 11.671 -6.571 -0.734
290 H GLU 43 H GLU 43 10.153 -4.242 -2.253
291 HA GLU 43 HA GLU 43 10.896 -2.209 -0.410
292 HB2 GLU 43 2HB GLU 43 9.531 -2.200 -3.091
293 HB3 GLU 43 1HB GLU 43 9.689 -0.723 -2.154
294 HG2 GLU 43 2HG GLU 43 11.941 -2.461 -3.135
295 HG3 GLU 43 1HG GLU 43 11.457 -0.897 -3.791
296 H ASP 44 H ASP 44 9.594 -2.785 1.416
297 HA ASP 44 HA ASP 44 6.717 -2.301 1.181
298 HB2 ASP 44 2HB ASP 44 6.696 -3.092 3.597
299 HB3 ASP 44 1HB ASP 44 7.170 -4.286 2.394
300 H VAL 45 H VAL 45 8.354 -0.061 0.824
301 HA VAL 45 HA VAL 45 7.622 1.521 3.189
302 HB VAL 45 HB VAL 45 10.037 1.211 3.244
303 HG11 VAL 45 1HG1 VAL 45 10.516 2.785 0.788
304 HG12 VAL 45 2HG1 VAL 45 10.008 1.111 0.568
305 HG13 VAL 45 3HG1 VAL 45 11.457 1.477 1.502
306 HG21 VAL 45 3HG2 VAL 45 9.433 4.025 2.357
307 HG22 VAL 45 1HG2 VAL 45 10.679 3.492 3.485
308 HG23 VAL 45 2HG2 VAL 45 8.978 3.376 3.931
309 H ALA 46 H ALA 46 6.418 3.261 2.770
310 HA ALA 46 HA ALA 46 6.209 4.149 -0.032
311 HB1 ALA 46 1HB ALA 46 3.961 4.402 0.182
312 HB2 ALA 46 2HB ALA 46 4.057 4.816 1.894
313 HB3 ALA 46 3HB ALA 46 4.197 3.133 1.384
314 H THR 47 H THR 47 6.357 6.304 -0.524
315 HA THR 47 HA THR 47 7.034 8.113 1.702
316 HB THR 47 HB THR 47 8.074 8.580 -1.070
317 HG1 THR 47 1HG THR 47 9.728 7.203 -0.778
318 HG21 THR 47 3HG2 THR 47 9.759 8.964 1.310
319 HG22 THR 47 1HG2 THR 47 8.368 10.035 1.163
320 HG23 THR 47 2HG2 THR 47 9.567 9.967 -0.128
321 H CYS 48 H CYS 48 5.960 9.990 1.861
322 HA CYS 48 HA CYS 48 3.674 10.444 0.201
323 HB2 CYS 48 2HB CYS 48 3.673 10.965 2.616
324 HB3 CYS 48 1HB CYS 48 4.885 12.211 2.342
325 HA PRO 49 HA PRO 49 5.754 13.051 -2.756
326 HB2 PRO 49 2HB PRO 49 3.624 13.756 -4.230
327 HB3 PRO 49 1HB PRO 49 4.260 12.106 -4.243
328 HG2 PRO 49 2HG PRO 49 1.895 13.216 -2.789
329 HG3 PRO 49 1HG PRO 49 2.063 11.668 -3.637
330 HD2 PRO 49 2HD PRO 49 2.273 11.982 -0.909
331 HD3 PRO 49 1HD PRO 49 3.007 10.650 -1.823
332 H SER 50 H SER 50 5.599 14.342 -0.375
333 HA SER 50 HA SER 50 5.286 17.065 -1.163
334 HB2 SER 50 2HB SER 50 2.940 16.616 -0.647
335 HB3 SER 50 1HB SER 50 3.385 15.977 0.934
336 HG SER 50 HG SER 50 2.771 18.425 0.411
337 H CYS 51 H CYS 51 5.288 15.045 1.781
338 HA CYS 51 HA CYS 51 7.336 16.787 2.937
339 HB2 CYS 51 2HB CYS 51 6.835 15.660 5.055
340 HB3 CYS 51 1HB CYS 51 5.372 16.309 4.321
341 H SER 52 H SER 52 6.946 13.633 1.552
342 HA SER 52 HA SER 52 8.460 12.034 0.994
343 HB2 SER 52 2HB SER 52 9.999 14.149 0.798
344 HB3 SER 52 1HB SER 52 10.707 13.542 2.295
345 HG SER 52 HG SER 52 11.839 12.339 0.991
346 H LEU 53 H LEU 53 6.964 11.819 3.306
347 HA LEU 53 HA LEU 53 8.596 11.019 5.531
348 HB2 LEU 53 2HB LEU 53 5.800 11.459 4.987
349 HB3 LEU 53 1HB LEU 53 6.013 9.917 5.790
350 HG LEU 53 HG LEU 53 7.156 11.014 7.650
351 HD11 LEU 53 1HD1 LEU 53 7.891 13.130 7.643
352 HD12 LEU 53 2HD1 LEU 53 6.430 13.738 6.866
353 HD13 LEU 53 3HD1 LEU 53 7.717 13.027 5.892
354 HD21 LEU 53 3HD2 LEU 53 4.539 12.342 6.959
355 HD22 LEU 53 1HD2 LEU 53 5.236 12.179 8.571
356 HD23 LEU 53 2HD2 LEU 53 4.718 10.745 7.685
357 H ILE 54 H ILE 54 7.702 8.683 6.473
358 HA ILE 54 HA ILE 54 7.926 6.714 4.311
359 HB ILE 54 HB ILE 54 9.512 5.382 5.784
360 HG12 ILE 54 2HG1 ILE 54 9.806 8.091 7.107
361 HG13 ILE 54 1HG1 ILE 54 9.219 6.616 7.866
362 HG21 ILE 54 1HG2 ILE 54 10.935 7.853 4.968
363 HG22 ILE 54 2HG2 ILE 54 10.004 7.006 3.733
364 HG23 ILE 54 3HG2 ILE 54 11.288 6.164 4.602
365 HD11 ILE 54 3HD1 ILE 54 11.966 6.771 6.688
366 HD12 ILE 54 1HD1 ILE 54 11.337 5.651 7.895
367 HD13 ILE 54 2HD1 ILE 54 11.623 7.338 8.323
368 H ILE 55 H ILE 55 6.919 4.763 4.680
369 HA ILE 55 HA ILE 55 5.776 4.196 7.300
370 HB ILE 55 HB ILE 55 3.525 3.744 6.351
371 HG12 ILE 55 2HG1 ILE 55 4.255 5.465 4.000
372 HG13 ILE 55 1HG1 ILE 55 4.508 3.724 3.934
373 HG21 ILE 55 1HG2 ILE 55 2.785 6.072 6.300
374 HG22 ILE 55 2HG2 ILE 55 4.458 6.600 6.117
375 HG23 ILE 55 3HG2 ILE 55 3.946 5.786 7.596
376 HD11 ILE 55 3HD1 ILE 55 2.005 3.657 4.716
377 HD12 ILE 55 1HD1 ILE 55 2.429 3.882 3.019
378 HD13 ILE 55 2HD1 ILE 55 1.978 5.271 4.006
379 H LYS 56 H LYS 56 5.243 2.010 7.620
380 HA LYS 56 HA LYS 56 6.500 0.203 5.700
381 HB2 LYS 56 2HB LYS 56 6.601 0.300 8.438
382 HB3 LYS 56 1HB LYS 56 5.401 -0.957 8.167
383 HG2 LYS 56 2HG LYS 56 8.166 -0.930 6.971
384 HG3 LYS 56 1HG LYS 56 7.690 -1.826 8.415
385 HD2 LYS 56 2HD LYS 56 5.853 -2.820 6.842
386 HD3 LYS 56 1HD LYS 56 6.940 -2.291 5.558
387 HE2 LYS 56 2HE LYS 56 7.367 -4.613 6.150
388 HE3 LYS 56 1HE LYS 56 8.753 -3.599 6.546
389 HZ1 LYS 56 3HZ LYS 56 7.762 -5.354 8.235
390 HZ2 LYS 56 1HZ LYS 56 6.781 -4.040 8.654
391 HZ3 LYS 56 2HZ LYS 56 8.464 -3.908 8.758
392 H VAL 57 H VAL 57 5.502 -1.233 4.512
393 HA VAL 57 HA VAL 57 2.575 -1.351 4.703
394 HB VAL 57 HB VAL 57 3.893 -2.409 2.270
395 HG11 VAL 57 1HG1 VAL 57 1.543 -0.609 2.812
396 HG12 VAL 57 2HG1 VAL 57 1.487 -2.339 2.473
397 HG13 VAL 57 3HG1 VAL 57 2.008 -1.211 1.221
398 HG21 VAL 57 3HG2 VAL 57 3.788 0.564 2.798
399 HG22 VAL 57 1HG2 VAL 57 4.252 -0.216 1.287
400 HG23 VAL 57 2HG2 VAL 57 5.257 -0.406 2.721
401 H ILE 58 H ILE 58 1.824 -3.114 5.669
402 HA ILE 58 HA ILE 58 3.400 -5.581 5.625
403 HB ILE 58 HB ILE 58 0.858 -5.062 7.167
404 HG12 ILE 58 2HG1 ILE 58 2.595 -3.429 7.802
405 HG13 ILE 58 1HG1 ILE 58 2.268 -4.570 9.102
406 HG21 ILE 58 1HG2 ILE 58 3.020 -7.148 7.441
407 HG22 ILE 58 2HG2 ILE 58 1.357 -7.404 6.913
408 HG23 ILE 58 3HG2 ILE 58 1.688 -6.920 8.576
409 HD11 ILE 58 3HD1 ILE 58 4.734 -3.880 8.204
410 HD12 ILE 58 1HD1 ILE 58 4.439 -5.382 7.325
411 HD13 ILE 58 2HD1 ILE 58 4.354 -5.358 9.086
412 H TYR 59 H TYR 59 2.785 -7.398 4.582
413 HA TYR 59 HA TYR 59 0.084 -7.756 3.606
414 HB2 TYR 59 2HB TYR 59 0.986 -8.088 1.216
415 HB3 TYR 59 1HB TYR 59 0.804 -6.430 1.785
416 HD1 TYR 59 1HD TYR 59 3.207 -9.071 0.932
417 HD2 TYR 59 2HD TYR 59 2.731 -5.040 2.211
418 HE1 TYR 59 1HE TYR 59 5.577 -8.648 0.454
419 HE2 TYR 59 2HE TYR 59 5.101 -4.604 1.733
420 HH TYR 59 HH TYR 59 7.330 -7.133 0.985
421 H ASP 60 H ASP 60 0.135 -9.828 2.060
422 HA ASP 60 HA ASP 60 1.318 -11.923 3.645
423 HB2 ASP 60 2HB ASP 60 -1.005 -11.930 2.480
424 HB3 ASP 60 1HB ASP 60 -0.106 -12.351 1.026
425 H LYS 61 H LYS 61 3.513 -11.971 3.378
426 HA LYS 61 HA LYS 61 4.875 -11.557 0.954
427 HB2 LYS 61 2HB LYS 61 5.618 -12.821 3.565
428 HB3 LYS 61 1HB LYS 61 6.703 -12.974 2.190
429 HG2 LYS 61 2HG LYS 61 5.718 -10.257 2.814
430 HG3 LYS 61 1HG LYS 61 6.861 -10.982 3.946
431 HD2 LYS 61 2HD LYS 61 8.038 -11.565 1.568
432 HD3 LYS 61 1HD LYS 61 7.271 -10.019 1.195
433 HE2 LYS 61 2HE LYS 61 9.212 -9.210 2.038
434 HE3 LYS 61 1HE LYS 61 8.342 -9.395 3.560
435 HZ1 LYS 61 3HZ LYS 61 9.605 -11.157 4.177
436 HZ2 LYS 61 1HZ LYS 61 10.746 -10.382 3.198
437 HZ3 LYS 61 2HZ LYS 61 9.868 -11.696 2.596
438 H ASP 62 H ASP 62 3.360 -14.404 2.327
439 HA ASP 62 HA ASP 62 4.622 -16.316 0.643
440 HB2 ASP 62 2HB ASP 62 3.124 -16.574 2.847
441 HB3 ASP 62 1HB ASP 62 1.868 -16.836 1.642
442 H GLN 63 H GLN 63 1.797 -14.248 0.299
443 HA GLN 63 HA GLN 63 0.907 -15.585 -2.109
444 HB2 GLN 63 2HB GLN 63 0.005 -13.053 -0.734
445 HB3 GLN 63 1HB GLN 63 -0.716 -13.660 -2.217
446 HG2 GLN 63 2HG GLN 63 -0.549 -15.442 0.167
447 HG3 GLN 63 1HG GLN 63 -1.788 -14.189 0.095
448 HE21 GLN 63 1HE2 GLN 63 -3.567 -15.425 -0.170
449 HE22 GLN 63 2HE2 GLN 63 -3.838 -16.468 -1.519
450 H PHE 64 H PHE 64 2.442 -12.491 -1.273
451 HA PHE 64 HA PHE 64 2.634 -11.596 -3.975
452 HB2 PHE 64 2HB PHE 64 3.675 -10.655 -1.341
453 HB3 PHE 64 1HB PHE 64 4.445 -10.046 -2.801
454 HD1 PHE 64 2HD PHE 64 0.944 -10.662 -1.632
455 HD2 PHE 64 1HD PHE 64 3.695 -8.002 -3.496
456 HE1 PHE 64 2HE PHE 64 -0.846 -8.994 -1.887
457 HE2 PHE 64 1HE PHE 64 1.910 -6.329 -3.754
458 HZ PHE 64 HZ PHE 64 -0.364 -6.825 -2.951
459 H VAL 65 H VAL 65 4.913 -13.153 -1.734
460 HA VAL 65 HA VAL 65 6.853 -13.377 -3.935
461 HB VAL 65 HB VAL 65 7.372 -13.897 -1.004
462 HG11 VAL 65 1HG1 VAL 65 9.451 -13.161 -3.018
463 HG12 VAL 65 2HG1 VAL 65 8.864 -14.823 -2.943
464 HG13 VAL 65 3HG1 VAL 65 9.607 -14.084 -1.525
465 HG21 VAL 65 3HG2 VAL 65 8.648 -11.609 -1.371
466 HG22 VAL 65 1HG2 VAL 65 6.952 -11.658 -0.887
467 HG23 VAL 65 2HG2 VAL 65 7.379 -11.373 -2.574
468 H SER 66 H SER 66 5.768 -15.123 -4.955
469 HA SER 66 HA SER 66 6.688 -17.678 -4.130
470 HB2 SER 66 2HB SER 66 4.649 -17.303 -2.636
471 HB3 SER 66 1HB SER 66 3.680 -17.426 -4.105
472 HG SER 66 HG SER 66 5.059 -19.385 -2.710
473 H GLY 67 H GLY 67 7.048 -16.211 -6.423
474 HA2 GLY 67 2HA GLY 67 5.765 -17.959 -8.407
475 HA3 GLY 67 1HA GLY 67 5.685 -16.219 -8.637
476 H GLU 68 H GLU 68 8.130 -15.334 -7.990
477 HA GLU 68 HA GLU 68 9.827 -16.609 -10.018
478 HB2 GLU 68 2HB GLU 68 9.064 -14.071 -9.974
479 HB3 GLU 68 1HB GLU 68 10.436 -13.914 -8.888
480 HG2 GLU 68 2HG GLU 68 11.755 -15.130 -10.733
481 HG3 GLU 68 1HG GLU 68 10.397 -14.701 -11.772
482 H THR 69 H THR 69 9.634 -17.663 -7.315
483 HA THR 69 HA THR 69 12.339 -17.075 -6.310
484 HB THR 69 HB THR 69 9.998 -18.264 -4.800
485 HG1 THR 69 1HG THR 69 11.093 -15.646 -4.745
486 HG21 THR 69 3HG2 THR 69 12.291 -18.863 -3.964
487 HG22 THR 69 1HG2 THR 69 11.248 -18.019 -2.818
488 HG23 THR 69 2HG2 THR 69 12.533 -17.145 -3.650
489 H VAL 70 H VAL 70 13.206 -18.540 -7.912
490 HA VAL 70 HA VAL 70 13.582 -21.170 -6.898
491 HB VAL 70 HB VAL 70 11.381 -21.538 -7.907
492 HG11 VAL 70 1HG1 VAL 70 10.873 -21.163 -10.163
493 HG12 VAL 70 2HG1 VAL 70 12.567 -20.942 -10.598
494 HG13 VAL 70 3HG1 VAL 70 11.733 -19.711 -9.652
495 HG21 VAL 70 3HG2 VAL 70 12.021 -23.389 -9.480
496 HG22 VAL 70 1HG2 VAL 70 12.824 -23.432 -7.911
497 HG23 VAL 70 2HG2 VAL 70 13.692 -22.847 -9.329
498 HA PRO 71 HA PRO 71 17.230 -20.378 -9.321
499 HB2 PRO 71 2HB PRO 71 18.536 -22.695 -8.870
500 HB3 PRO 71 1HB PRO 71 18.340 -21.466 -7.614
501 HG2 PRO 71 2HG PRO 71 16.801 -23.996 -8.047
502 HG3 PRO 71 1HG PRO 71 17.399 -23.294 -6.532
503 HD2 PRO 71 2HD PRO 71 14.815 -23.065 -7.394
504 HD3 PRO 71 1HD PRO 71 15.607 -21.875 -6.343
505 H ALA 72 H ALA 72 18.149 -20.918 -11.313
506 HA ALA 72 HA ALA 72 16.450 -22.323 -13.135
507 HB1 ALA 72 1HB ALA 72 19.241 -21.525 -13.840
508 HB2 ALA 72 2HB ALA 72 18.019 -20.285 -13.556
509 HB3 ALA 72 3HB ALA 72 17.777 -21.487 -14.824
510 HA PRO 73 HA PRO 73 17.952 -26.450 -12.986
511 HB2 PRO 73 2HB PRO 73 18.059 -26.366 -15.958
512 HB3 PRO 73 1HB PRO 73 17.202 -27.480 -14.889
513 HG2 PRO 73 2HG PRO 73 15.885 -25.588 -16.222
514 HG3 PRO 73 1HG PRO 73 15.434 -26.019 -14.562
515 HD2 PRO 73 2HD PRO 73 16.961 -23.649 -15.557
516 HD3 PRO 73 1HD PRO 73 15.755 -23.752 -14.257
517 H SER 74 H SER 74 20.006 -25.890 -12.109
518 HA SER 74 HA SER 74 22.261 -25.989 -11.990
519 HB2 SER 74 2HB SER 74 21.931 -27.298 -14.695
520 HB3 SER 74 1HB SER 74 23.471 -27.188 -13.842
521 HG SER 74 HG SER 74 21.411 -28.898 -13.450
522 H ALA 75 H ALA 75 22.921 -23.912 -11.892
523 HA ALA 75 HA ALA 75 23.522 -22.550 -14.441
524 HB1 ALA 75 1HB ALA 75 21.752 -21.637 -12.665
525 HB2 ALA 75 2HB ALA 75 22.763 -20.565 -13.635
526 HB3 ALA 75 3HB ALA 75 23.217 -20.938 -11.973
527 H ASN 76 H ASN 76 25.405 -21.204 -14.505
528 HA ASN 76 HA ASN 76 27.594 -20.701 -14.190
529 HB2 ASN 76 2HB ASN 76 26.684 -21.180 -11.386
530 HB3 ASN 76 1HB ASN 76 28.410 -21.029 -11.694
531 HD21 ASN 76 1HD2 ASN 76 29.081 -19.061 -11.236
532 HD22 ASN 76 2HD2 ASN 76 28.237 -17.593 -11.577
533 H LYS 77 H LYS 77 29.737 -21.717 -13.087
534 HA LYS 77 HA LYS 77 29.629 -24.634 -13.428
535 HB2 LYS 77 2HB LYS 77 31.790 -24.524 -14.668
536 HB3 LYS 77 1HB LYS 77 30.433 -23.817 -15.533
537 HG2 LYS 77 2HG LYS 77 31.219 -21.570 -14.733
538 HG3 LYS 77 1HG LYS 77 32.668 -22.374 -14.125
539 HD2 LYS 77 2HD LYS 77 31.956 -22.984 -16.919
540 HD3 LYS 77 1HD LYS 77 32.439 -21.314 -16.609
541 HE2 LYS 77 2HE LYS 77 34.111 -23.471 -15.436
542 HE3 LYS 77 1HE LYS 77 34.193 -23.238 -17.183
543 HZ1 LYS 77 3HZ LYS 77 35.864 -21.946 -15.936
544 HZ2 LYS 77 1HZ LYS 77 34.619 -21.080 -15.185
545 HZ3 LYS 77 2HZ LYS 77 34.839 -20.967 -16.859
546 H GLU 78 H GLU 78 30.434 -25.645 -11.735
547 HA GLU 78 HA GLU 78 32.715 -24.487 -10.296
548 HB2 GLU 78 2HB GLU 78 30.251 -24.222 -9.256
549 HB3 GLU 78 1HB GLU 78 30.635 -25.828 -8.652
550 HG2 GLU 78 2HG GLU 78 32.307 -25.075 -7.292
551 HG3 GLU 78 1HG GLU 78 32.640 -23.664 -8.295
552 H LEU 79 H LEU 79 34.108 -26.026 -11.145
553 HA LEU 79 HA LEU 79 33.860 -28.682 -9.973
554 HB2 LEU 79 2HB LEU 79 34.435 -29.775 -12.131
555 HB3 LEU 79 1HB LEU 79 32.842 -29.048 -12.104
556 HG LEU 79 HG LEU 79 35.047 -27.393 -13.204
557 HD11 LEU 79 1HD1 LEU 79 34.392 -28.624 -15.458
558 HD12 LEU 79 2HD1 LEU 79 34.173 -29.983 -14.356
559 HD13 LEU 79 3HD1 LEU 79 35.732 -29.167 -14.449
560 HD21 LEU 79 3HD2 LEU 79 32.428 -26.983 -12.990
561 HD22 LEU 79 1HD2 LEU 79 32.435 -27.822 -14.541
562 HD23 LEU 79 2HD2 LEU 79 33.375 -26.345 -14.334
563 H VAL 80 H VAL 80 35.557 -27.407 -8.741
564 HA VAL 80 HA VAL 80 38.182 -27.712 -10.055
565 HB VAL 80 HB VAL 80 37.568 -25.817 -7.783
566 HG11 VAL 80 1HG1 VAL 80 39.967 -26.777 -8.511
567 HG12 VAL 80 2HG1 VAL 80 39.727 -25.153 -7.867
568 HG13 VAL 80 3HG1 VAL 80 39.852 -25.401 -9.608
569 HG21 VAL 80 3HG2 VAL 80 37.740 -24.033 -9.537
570 HG22 VAL 80 1HG2 VAL 80 36.294 -25.036 -9.642
571 HG23 VAL 80 2HG2 VAL 80 37.638 -25.305 -10.752
572 H LYS 81 H LYS 81 38.393 -29.882 -9.363
573 HA LYS 81 HA LYS 81 38.343 -30.465 -6.515
574 HB2 LYS 81 2HB LYS 81 37.672 -31.980 -8.630
575 HB3 LYS 81 1HB LYS 81 39.351 -32.471 -8.465
576 HG2 LYS 81 2HG LYS 81 38.564 -32.703 -5.909
577 HG3 LYS 81 1HG LYS 81 37.031 -33.016 -6.727
578 HD2 LYS 81 2HD LYS 81 39.630 -34.443 -7.307
579 HD3 LYS 81 1HD LYS 81 38.332 -35.075 -6.293
580 HE2 LYS 81 2HE LYS 81 37.640 -36.045 -8.203
581 HE3 LYS 81 1HE LYS 81 36.951 -34.458 -8.535
582 HZ1 LYS 81 3HZ LYS 81 38.303 -35.452 -10.371
583 HZ2 LYS 81 1HZ LYS 81 39.676 -35.248 -9.403
584 HZ3 LYS 81 2HZ LYS 81 38.782 -33.900 -9.900
585 H LEU 82 H LEU 82 40.056 -29.410 -5.576
586 HA LEU 82 HA LEU 82 42.681 -29.345 -6.670
587 HB2 LEU 82 2HB LEU 82 41.411 -27.926 -4.757
588 HB3 LEU 82 1HB LEU 82 42.340 -29.014 -3.746
589 HG LEU 82 HG LEU 82 43.557 -26.955 -4.026
590 HD11 LEU 82 1HD1 LEU 82 44.656 -29.355 -4.286
591 HD12 LEU 82 2HD1 LEU 82 45.599 -27.870 -4.403
592 HD13 LEU 82 3HD1 LEU 82 45.082 -28.705 -5.868
593 HD21 LEU 82 3HD2 LEU 82 43.918 -25.855 -5.985
594 HD22 LEU 82 1HD2 LEU 82 42.387 -26.634 -6.380
595 HD23 LEU 82 2HD2 LEU 82 43.904 -27.331 -6.950
596 H GLU 83 H GLU 83 44.356 -30.710 -6.453
597 HA GLU 83 HA GLU 83 43.979 -33.347 -5.551
598 HB2 GLU 83 2HB GLU 83 45.775 -32.189 -7.167
599 HB3 GLU 83 1HB GLU 83 46.747 -32.268 -5.704
600 HG2 GLU 83 2HG GLU 83 45.313 -34.716 -6.598
601 HG3 GLU 83 1HG GLU 83 46.758 -34.209 -7.470
602 H HIS 84 H HIS 84 44.948 -34.479 -3.799
603 HA HIS 84 HA HIS 84 45.337 -32.803 -1.419
604 HB2 HIS 84 2HB HIS 84 43.565 -34.744 -1.645
605 HB3 HIS 84 1HB HIS 84 44.947 -35.771 -1.276
606 HD1 HIS 84 1HD HIS 84 44.150 -32.406 0.292
607 HD2 HIS 84 2HD HIS 84 44.393 -36.428 1.314
608 HE1 HIS 84 1HE HIS 84 43.862 -32.484 2.789
609 HE2 HIS 84 2HE HIS 84 44.079 -34.921 3.392
Start of MODEL 12
1 H1 MET 1 1HT MET 1 15.945 11.141 6.062
2 H2 MET 1 2HT MET 1 16.312 11.074 7.737
3 H3 MET 1 3HT MET 1 15.189 12.229 7.147
4 HA MET 1 HA MET 1 13.922 10.588 8.116
5 HB2 MET 1 2HB MET 1 14.129 10.382 5.117
6 HB3 MET 1 1HB MET 1 12.917 9.473 6.010
7 HG2 MET 1 2HG MET 1 13.211 12.458 6.200
8 HG3 MET 1 1HG MET 1 12.150 11.653 5.044
9 HE1 MET 1 2HE MET 1 10.414 13.255 5.988
10 HE2 MET 1 3HE MET 1 11.091 13.825 7.515
11 HE3 MET 1 1HE MET 1 9.527 13.008 7.494
12 H ALA 2 H ALA 2 14.352 8.841 9.313
13 HA ALA 2 HA ALA 2 15.516 6.490 7.986
14 HB1 ALA 2 1HB ALA 2 16.708 6.079 10.245
15 HB2 ALA 2 2HB ALA 2 16.476 7.809 10.497
16 HB3 ALA 2 3HB ALA 2 17.401 7.237 9.109
17 H VAL 3 H VAL 3 14.323 7.357 11.250
18 HA VAL 3 HA VAL 3 13.137 4.844 11.722
19 HB VAL 3 HB VAL 3 11.919 5.959 13.584
20 HG11 VAL 3 1HG1 VAL 3 14.660 7.022 13.861
21 HG12 VAL 3 2HG1 VAL 3 14.522 5.313 13.448
22 HG13 VAL 3 3HG1 VAL 3 13.749 5.933 14.906
23 HG21 VAL 3 3HG2 VAL 3 12.821 8.373 12.140
24 HG22 VAL 3 1HG2 VAL 3 12.945 8.425 13.898
25 HG23 VAL 3 2HG2 VAL 3 11.388 8.109 13.132
26 H PHE 4 H PHE 4 11.345 3.975 10.940
27 HA PHE 4 HA PHE 4 9.630 5.351 9.153
28 HB2 PHE 4 2HB PHE 4 9.709 2.630 10.362
29 HB3 PHE 4 1HB PHE 4 8.184 3.169 9.670
30 HD1 PHE 4 1HD PHE 4 11.765 3.493 8.656
31 HD2 PHE 4 2HD PHE 4 7.832 2.259 7.599
32 HE1 PHE 4 1HE PHE 4 12.570 2.860 6.421
33 HE2 PHE 4 2HE PHE 4 8.631 1.622 5.361
34 HZ PHE 4 HZ PHE 4 11.004 1.923 4.771
35 H HIS 5 H HIS 5 7.484 6.008 9.372
36 HA HIS 5 HA HIS 5 6.780 7.134 11.864
37 HB2 HIS 5 2HB HIS 5 6.067 7.923 9.548
38 HB3 HIS 5 1HB HIS 5 4.864 6.638 9.586
39 HD1 HIS 5 1HD HIS 5 5.873 9.592 11.778
40 HD2 HIS 5 2HD HIS 5 2.501 7.465 10.606
41 HE1 HIS 5 1HE HIS 5 3.929 10.771 12.851
42 HE2 HIS 5 2HE HIS 5 1.915 9.392 12.230
43 H ASP 6 H ASP 6 5.107 4.558 10.028
44 HA ASP 6 HA ASP 6 4.784 2.900 12.324
45 HB2 ASP 6 2HB ASP 6 2.624 4.799 11.628
46 HB3 ASP 6 1HB ASP 6 2.106 3.137 11.882
47 H GLU 7 H GLU 7 3.681 0.892 11.826
48 HA GLU 7 HA GLU 7 3.796 0.287 8.957
49 HB2 GLU 7 2HB GLU 7 3.583 -1.706 11.216
50 HB3 GLU 7 1HB GLU 7 4.030 -2.022 9.548
51 HG2 GLU 7 2HG GLU 7 6.170 -1.655 9.974
52 HG3 GLU 7 1HG GLU 7 5.821 -0.101 10.731
53 H VAL 8 H VAL 8 2.047 -0.387 7.812
54 HA VAL 8 HA VAL 8 -0.445 -0.949 9.270
55 HB VAL 8 HB VAL 8 -0.364 0.844 6.840
56 HG11 VAL 8 1HG1 VAL 8 -2.609 0.529 8.808
57 HG12 VAL 8 2HG1 VAL 8 -2.437 -0.538 7.414
58 HG13 VAL 8 3HG1 VAL 8 -2.655 1.195 7.176
59 HG21 VAL 8 3HG2 VAL 8 0.738 1.931 8.762
60 HG22 VAL 8 1HG2 VAL 8 -0.715 1.663 9.724
61 HG23 VAL 8 2HG2 VAL 8 -0.772 2.723 8.315
62 H GLU 9 H GLU 9 -1.779 -2.453 8.338
63 HA GLU 9 HA GLU 9 -0.646 -4.269 6.486
64 HB2 GLU 9 2HB GLU 9 -3.414 -3.989 7.642
65 HB3 GLU 9 1HB GLU 9 -3.017 -5.242 6.475
66 HG2 GLU 9 2HG GLU 9 -1.313 -6.118 7.984
67 HG3 GLU 9 1HG GLU 9 -1.697 -4.857 9.153
68 H ILE 10 H ILE 10 -0.989 -4.609 4.336
69 HA ILE 10 HA ILE 10 -1.584 -2.469 2.666
70 HB ILE 10 HB ILE 10 -0.284 -4.456 1.981
71 HG12 ILE 10 2HG1 ILE 10 -1.866 -4.730 -0.254
72 HG13 ILE 10 1HG1 ILE 10 -2.404 -3.187 0.400
73 HG21 ILE 10 1HG2 ILE 10 -1.641 -6.211 2.941
74 HG22 ILE 10 2HG2 ILE 10 -1.454 -6.473 1.207
75 HG23 ILE 10 3HG2 ILE 10 -2.966 -5.824 1.842
76 HD11 ILE 10 3HD1 ILE 10 -0.262 -3.565 -1.244
77 HD12 ILE 10 1HD1 ILE 10 0.493 -3.469 0.345
78 HD13 ILE 10 2HD1 ILE 10 -0.535 -2.154 -0.223
79 H GLU 11 H GLU 11 -3.726 -4.833 4.100
80 HA GLU 11 HA GLU 11 -5.943 -4.599 2.423
81 HB2 GLU 11 2HB GLU 11 -5.565 -5.312 5.301
82 HB3 GLU 11 1HB GLU 11 -7.197 -5.021 4.719
83 HG2 GLU 11 2HG GLU 11 -6.756 -7.363 4.614
84 HG3 GLU 11 1HG GLU 11 -6.829 -6.734 2.969
85 H ASP 12 H ASP 12 -4.735 -2.449 4.930
86 HA ASP 12 HA ASP 12 -7.103 -0.827 5.034
87 HB2 ASP 12 2HB ASP 12 -4.292 -0.307 6.030
88 HB3 ASP 12 1HB ASP 12 -5.664 0.755 6.327
89 H PHE 13 H PHE 13 -4.164 -0.849 3.146
90 HA PHE 13 HA PHE 13 -4.220 1.804 2.188
91 HB2 PHE 13 2HB PHE 13 -2.990 -0.754 1.233
92 HB3 PHE 13 1HB PHE 13 -2.995 0.642 0.167
93 HD1 PHE 13 2HD PHE 13 -2.283 0.045 3.801
94 HD2 PHE 13 1HD PHE 13 -1.025 1.763 0.113
95 HE1 PHE 13 2HE PHE 13 -0.249 0.900 4.892
96 HE2 PHE 13 1HE PHE 13 1.009 2.615 1.198
97 HZ PHE 13 HZ PHE 13 1.399 2.184 3.590
98 H GLN 14 H GLN 14 -4.445 2.182 -0.306
99 HA GLN 14 HA GLN 14 -7.058 1.090 -1.138
100 HB2 GLN 14 2HB GLN 14 -6.653 3.656 -0.602
101 HB3 GLN 14 1HB GLN 14 -6.023 3.665 -2.243
102 HG2 GLN 14 2HG GLN 14 -8.053 3.525 -3.156
103 HG3 GLN 14 1HG GLN 14 -8.596 2.315 -1.996
104 HE21 GLN 14 1HE2 GLN 14 -10.213 4.385 -2.923
105 HE22 GLN 14 2HE2 GLN 14 -10.570 5.443 -1.605
106 H TYR 15 H TYR 15 -6.819 -0.382 -2.701
107 HA TYR 15 HA TYR 15 -4.530 -0.610 -4.347
108 HB2 TYR 15 2HB TYR 15 -5.998 -2.524 -3.843
109 HB3 TYR 15 1HB TYR 15 -7.292 -1.776 -4.770
110 HD1 TYR 15 1HD TYR 15 -3.749 -2.901 -5.176
111 HD2 TYR 15 2HD TYR 15 -7.562 -2.390 -6.992
112 HE1 TYR 15 1HE TYR 15 -2.924 -4.016 -7.207
113 HE2 TYR 15 2HE TYR 15 -6.747 -3.504 -9.028
114 HH TYR 15 HH TYR 15 -3.955 -3.802 -9.977
115 H ASP 16 H ASP 16 -3.974 0.449 -6.125
116 HA ASP 16 HA ASP 16 -6.009 2.082 -7.480
117 HB2 ASP 16 2HB ASP 16 -3.838 3.069 -6.399
118 HB3 ASP 16 1HB ASP 16 -3.056 2.460 -7.856
119 H GLU 17 H GLU 17 -6.806 0.461 -8.846
120 HA GLU 17 HA GLU 17 -5.330 -1.299 -10.408
121 HB2 GLU 17 2HB GLU 17 -7.363 -1.208 -11.968
122 HB3 GLU 17 1HB GLU 17 -7.634 -1.714 -10.308
123 HG2 GLU 17 2HG GLU 17 -8.719 0.253 -9.748
124 HG3 GLU 17 1HG GLU 17 -8.019 1.143 -11.099
125 H ASP 18 H ASP 18 -5.938 2.100 -10.861
126 HA ASP 18 HA ASP 18 -5.578 2.535 -13.524
127 HB2 ASP 18 2HB ASP 18 -5.693 4.143 -11.357
128 HB3 ASP 18 1HB ASP 18 -3.991 4.322 -11.772
129 H SER 19 H SER 19 -2.990 1.965 -11.144
130 HA SER 19 HA SER 19 -1.246 1.092 -13.314
131 HB2 SER 19 2HB SER 19 0.603 2.515 -12.654
132 HB3 SER 19 1HB SER 19 -0.801 3.520 -13.004
133 HG SER 19 HG SER 19 -0.703 4.231 -11.038
134 H GLU 20 H GLU 20 -2.631 -0.140 -10.946
135 HA GLU 20 HA GLU 20 -2.244 -1.610 -9.256
136 HB2 GLU 20 2HB GLU 20 -0.980 -2.533 -11.419
137 HB3 GLU 20 1HB GLU 20 0.419 -2.339 -10.369
138 HG2 GLU 20 2HG GLU 20 -0.218 -4.006 -8.973
139 HG3 GLU 20 1HG GLU 20 -1.937 -3.710 -9.219
140 H THR 21 H THR 21 -1.882 0.553 -8.060
141 HA THR 21 HA THR 21 0.597 0.270 -6.516
142 HB THR 21 HB THR 21 -0.494 2.942 -7.416
143 HG1 THR 21 1HG THR 21 0.824 2.873 -9.066
144 HG21 THR 21 3HG2 THR 21 1.452 3.934 -6.572
145 HG22 THR 21 1HG2 THR 21 2.236 2.374 -6.314
146 HG23 THR 21 2HG2 THR 21 0.879 2.859 -5.297
147 H TYR 22 H TYR 22 0.447 1.074 -4.332
148 HA TYR 22 HA TYR 22 -2.336 1.365 -3.392
149 HB2 TYR 22 2HB TYR 22 0.039 0.244 -1.884
150 HB3 TYR 22 1HB TYR 22 -1.597 0.405 -1.253
151 HD1 TYR 22 1HD TYR 22 0.329 -1.219 -3.990
152 HD2 TYR 22 2HD TYR 22 -3.108 -1.357 -1.489
153 HE1 TYR 22 1HE TYR 22 -0.215 -3.447 -4.872
154 HE2 TYR 22 2HE TYR 22 -3.661 -3.588 -2.358
155 HH TYR 22 HH TYR 22 -2.182 -5.553 -3.461
156 H PHE 23 H PHE 23 -2.867 3.038 -2.053
157 HA PHE 23 HA PHE 23 -0.702 4.923 -1.376
158 HB2 PHE 23 2HB PHE 23 -3.490 5.502 -2.382
159 HB3 PHE 23 1HB PHE 23 -2.488 6.724 -1.607
160 HD1 PHE 23 1HD PHE 23 -2.096 4.148 -4.288
161 HD2 PHE 23 2HD PHE 23 -1.405 8.159 -3.032
162 HE1 PHE 23 1HE PHE 23 -1.033 4.638 -6.449
163 HE2 PHE 23 2HE PHE 23 -0.341 8.651 -5.198
164 HZ PHE 23 HZ PHE 23 -0.154 6.890 -6.907
165 H TYR 24 H TYR 24 -0.886 6.094 0.572
166 HA TYR 24 HA TYR 24 -2.939 5.111 2.444
167 HB2 TYR 24 2HB TYR 24 -0.646 4.091 2.816
168 HB3 TYR 24 1HB TYR 24 -0.085 5.706 3.234
169 HD1 TYR 24 1HD TYR 24 -2.681 3.198 4.168
170 HD2 TYR 24 2HD TYR 24 -0.219 6.424 5.444
171 HE1 TYR 24 1HE TYR 24 -3.439 2.853 6.482
172 HE2 TYR 24 2HE TYR 24 -0.967 6.088 7.762
173 HH TYR 24 HH TYR 24 -2.683 3.326 8.762
174 HA PRO 25 HA PRO 25 -3.888 9.431 2.929
175 HB2 PRO 25 2HB PRO 25 -4.860 8.584 5.603
176 HB3 PRO 25 1HB PRO 25 -5.713 9.437 4.313
177 HG2 PRO 25 2HG PRO 25 -6.223 6.871 4.823
178 HG3 PRO 25 1HG PRO 25 -6.193 7.485 3.159
179 HD2 PRO 25 2HD PRO 25 -4.127 5.902 4.636
180 HD3 PRO 25 1HD PRO 25 -4.650 5.774 2.943
181 H CYS 26 H CYS 26 -2.467 10.959 3.447
182 HA CYS 26 HA CYS 26 -0.790 10.597 5.837
183 HB2 CYS 26 2HB CYS 26 0.055 11.006 3.293
184 HB3 CYS 26 1HB CYS 26 -0.050 12.672 3.858
185 HA PRO 27 HA PRO 27 -2.736 13.951 7.964
186 HB2 PRO 27 2HB PRO 27 0.012 14.795 8.717
187 HB3 PRO 27 1HB PRO 27 -1.376 14.424 9.746
188 HG2 PRO 27 2HG PRO 27 0.658 12.715 9.535
189 HG3 PRO 27 1HG PRO 27 -1.015 12.135 9.633
190 HD2 PRO 27 2HD PRO 27 0.784 12.351 7.253
191 HD3 PRO 27 1HD PRO 27 -0.391 11.087 7.668
192 H CYS 28 H CYS 28 -0.005 14.607 5.827
193 HA CYS 28 HA CYS 28 -0.393 17.437 5.752
194 HB2 CYS 28 2HB CYS 28 1.158 17.383 3.827
195 HB3 CYS 28 1HB CYS 28 1.784 16.504 5.217
196 H GLY 29 H GLY 29 -1.470 14.731 3.736
197 HA2 GLY 29 2HA GLY 29 -3.687 14.923 2.731
198 HA3 GLY 29 1HA GLY 29 -3.317 16.605 2.394
199 H ASP 30 H ASP 30 -0.803 14.283 1.843
200 HA ASP 30 HA ASP 30 -1.166 14.646 -1.049
201 HB2 ASP 30 2HB ASP 30 1.209 14.433 0.703
202 HB3 ASP 30 1HB ASP 30 1.328 13.605 -0.847
203 H ASN 31 H ASN 31 -0.827 12.210 1.454
204 HA ASN 31 HA ASN 31 -1.386 10.011 1.497
205 HB2 ASN 31 2HB ASN 31 -2.167 10.186 -1.416
206 HB3 ASN 31 1HB ASN 31 -2.697 9.006 -0.221
207 HD21 ASN 31 1HD2 ASN 31 -3.485 11.812 -1.813
208 HD22 ASN 31 2HD2 ASN 31 -4.764 12.356 -0.786
209 H PHE 32 H PHE 32 0.097 8.499 1.630
210 HA PHE 32 HA PHE 32 2.512 8.518 0.176
211 HB2 PHE 32 2HB PHE 32 1.211 6.394 1.884
212 HB3 PHE 32 1HB PHE 32 2.813 6.214 1.187
213 HD1 PHE 32 1HD PHE 32 4.518 8.089 1.747
214 HD2 PHE 32 2HD PHE 32 0.969 7.335 3.968
215 HE1 PHE 32 1HE PHE 32 5.499 9.226 3.693
216 HE2 PHE 32 2HE PHE 32 1.942 8.471 5.919
217 HZ PHE 32 HZ PHE 32 4.211 9.418 5.783
218 H SER 33 H SER 33 3.359 6.630 -1.100
219 HA SER 33 HA SER 33 1.322 5.221 -2.661
220 HB2 SER 33 2HB SER 33 3.560 6.552 -4.151
221 HB3 SER 33 1HB SER 33 1.993 6.007 -4.748
222 HG SER 33 HG SER 33 2.572 8.288 -3.176
223 H ILE 34 H ILE 34 1.929 3.228 -3.372
224 HA ILE 34 HA ILE 34 4.719 2.445 -3.416
225 HB ILE 34 HB ILE 34 4.156 2.038 -1.066
226 HG12 ILE 34 2HG1 ILE 34 4.226 -0.704 -2.255
227 HG13 ILE 34 1HG1 ILE 34 5.534 0.410 -2.643
228 HG21 ILE 34 1HG2 ILE 34 1.718 1.706 -1.414
229 HG22 ILE 34 2HG2 ILE 34 2.463 0.490 -0.375
230 HG23 ILE 34 3HG2 ILE 34 2.070 0.099 -2.049
231 HD11 ILE 34 3HD1 ILE 34 5.404 -1.243 -0.461
232 HD12 ILE 34 1HD1 ILE 34 4.943 0.329 0.197
233 HD13 ILE 34 2HD1 ILE 34 6.478 0.142 -0.654
234 H THR 35 H THR 35 5.020 1.236 -5.166
235 HA THR 35 HA THR 35 2.833 0.292 -6.731
236 HB THR 35 HB THR 35 4.751 -0.778 -8.084
237 HG1 THR 35 1HG THR 35 6.787 -0.208 -7.516
238 HG21 THR 35 3HG2 THR 35 3.724 1.438 -8.608
239 HG22 THR 35 1HG2 THR 35 5.414 1.269 -9.087
240 HG23 THR 35 2HG2 THR 35 4.995 2.184 -7.639
241 H LYS 36 H LYS 36 2.253 -1.836 -7.267
242 HA LYS 36 HA LYS 36 2.186 -3.685 -5.167
243 HB2 LYS 36 2HB LYS 36 0.549 -3.657 -6.999
244 HB3 LYS 36 1HB LYS 36 1.792 -4.182 -8.124
245 HG2 LYS 36 2HG LYS 36 0.755 -6.166 -7.693
246 HG3 LYS 36 1HG LYS 36 2.015 -6.196 -6.459
247 HD2 LYS 36 2HD LYS 36 0.409 -5.328 -4.816
248 HD3 LYS 36 1HD LYS 36 -0.849 -5.325 -6.054
249 HE2 LYS 36 2HE LYS 36 0.667 -7.798 -5.245
250 HE3 LYS 36 1HE LYS 36 -0.844 -7.305 -4.484
251 HZ1 LYS 36 3HZ LYS 36 -1.897 -7.396 -6.689
252 HZ2 LYS 36 1HZ LYS 36 -1.284 -8.898 -6.206
253 HZ3 LYS 36 2HZ LYS 36 -0.452 -7.974 -7.352
254 H GLU 37 H GLU 37 4.340 -3.445 -7.958
255 HA GLU 37 HA GLU 37 5.662 -5.900 -7.667
256 HB2 GLU 37 2HB GLU 37 5.761 -4.129 -9.575
257 HB3 GLU 37 1HB GLU 37 7.073 -3.432 -8.634
258 HG2 GLU 37 2HG GLU 37 8.121 -5.752 -8.681
259 HG3 GLU 37 1HG GLU 37 6.943 -6.129 -9.937
260 H ASP 38 H ASP 38 6.230 -2.749 -6.155
261 HA ASP 38 HA ASP 38 8.713 -3.257 -4.980
262 HB2 ASP 38 2HB ASP 38 6.467 -1.387 -4.440
263 HB3 ASP 38 1HB ASP 38 7.617 -1.637 -3.131
264 H LEU 39 H LEU 39 5.440 -3.809 -3.718
265 HA LEU 39 HA LEU 39 6.264 -4.881 -1.240
266 HB2 LEU 39 2HB LEU 39 3.700 -5.521 -2.693
267 HB3 LEU 39 1HB LEU 39 3.997 -5.625 -0.969
268 HG LEU 39 HG LEU 39 4.300 -2.960 -2.269
269 HD11 LEU 39 1HD1 LEU 39 1.736 -2.787 -1.614
270 HD12 LEU 39 2HD1 LEU 39 1.773 -4.489 -2.070
271 HD13 LEU 39 3HD1 LEU 39 2.266 -3.256 -3.228
272 HD21 LEU 39 3HD2 LEU 39 3.491 -2.178 -0.135
273 HD22 LEU 39 1HD2 LEU 39 4.799 -3.332 0.122
274 HD23 LEU 39 2HD2 LEU 39 3.125 -3.827 0.368
275 H GLU 40 H GLU 40 5.686 -6.337 -4.397
276 HA GLU 40 HA GLU 40 5.800 -9.039 -3.543
277 HB2 GLU 40 2HB GLU 40 6.148 -7.700 -6.218
278 HB3 GLU 40 1HB GLU 40 6.378 -9.433 -6.027
279 HG2 GLU 40 2HG GLU 40 4.078 -9.587 -5.118
280 HG3 GLU 40 1HG GLU 40 3.863 -7.875 -5.480
281 H ASN 41 H ASN 41 8.265 -6.666 -4.188
282 HA ASN 41 HA ASN 41 10.362 -8.698 -4.324
283 HB2 ASN 41 2HB ASN 41 10.195 -5.793 -4.952
284 HB3 ASN 41 1HB ASN 41 11.757 -6.425 -4.441
285 HD21 ASN 41 1HD2 ASN 41 10.384 -5.501 -7.066
286 HD22 ASN 41 2HD2 ASN 41 10.897 -6.700 -8.199
287 H GLY 42 H GLY 42 9.190 -6.133 -2.201
288 HA2 GLY 42 2HA GLY 42 9.691 -6.971 0.216
289 HA3 GLY 42 1HA GLY 42 11.350 -6.697 -0.299
290 H GLU 43 H GLU 43 10.103 -4.372 -1.985
291 HA GLU 43 HA GLU 43 10.743 -2.308 -0.153
292 HB2 GLU 43 2HB GLU 43 9.508 -2.329 -2.898
293 HB3 GLU 43 1HB GLU 43 9.709 -0.836 -1.994
294 HG2 GLU 43 2HG GLU 43 11.894 -2.716 -2.850
295 HG3 GLU 43 1HG GLU 43 11.526 -1.139 -3.545
296 H ASP 44 H ASP 44 9.348 -2.791 1.599
297 HA ASP 44 HA ASP 44 6.491 -2.269 1.218
298 HB2 ASP 44 2HB ASP 44 6.412 -2.927 3.701
299 HB3 ASP 44 1HB ASP 44 6.790 -4.192 2.539
300 H VAL 45 H VAL 45 8.242 -0.073 0.882
301 HA VAL 45 HA VAL 45 7.487 1.574 3.203
302 HB VAL 45 HB VAL 45 9.895 1.267 3.236
303 HG11 VAL 45 1HG1 VAL 45 10.005 2.547 0.511
304 HG12 VAL 45 2HG1 VAL 45 10.103 0.806 0.781
305 HG13 VAL 45 3HG1 VAL 45 11.340 1.872 1.445
306 HG21 VAL 45 3HG2 VAL 45 8.911 3.452 3.885
307 HG22 VAL 45 1HG2 VAL 45 9.239 4.044 2.255
308 HG23 VAL 45 2HG2 VAL 45 10.573 3.574 3.309
309 H ALA 46 H ALA 46 6.386 3.384 2.794
310 HA ALA 46 HA ALA 46 6.030 4.168 -0.027
311 HB1 ALA 46 1HB ALA 46 3.819 4.523 0.324
312 HB2 ALA 46 2HB ALA 46 4.053 5.023 2.000
313 HB3 ALA 46 3HB ALA 46 4.081 3.311 1.577
314 H THR 47 H THR 47 6.595 6.167 -0.630
315 HA THR 47 HA THR 47 7.289 8.099 1.486
316 HB THR 47 HB THR 47 8.453 8.324 -1.256
317 HG1 THR 47 1HG THR 47 9.306 6.460 0.704
318 HG21 THR 47 3HG2 THR 47 10.318 9.269 -0.190
319 HG22 THR 47 1HG2 THR 47 9.816 8.676 1.393
320 HG23 THR 47 2HG2 THR 47 8.908 9.968 0.607
321 H CYS 48 H CYS 48 6.363 10.070 1.458
322 HA CYS 48 HA CYS 48 4.247 10.566 -0.439
323 HB2 CYS 48 2HB CYS 48 4.658 11.227 2.208
324 HB3 CYS 48 1HB CYS 48 4.941 12.754 1.383
325 HA PRO 49 HA PRO 49 6.672 13.132 -3.117
326 HB2 PRO 49 2HB PRO 49 4.713 14.295 -4.536
327 HB3 PRO 49 1HB PRO 49 5.077 12.572 -4.684
328 HG2 PRO 49 2HG PRO 49 2.883 13.924 -3.174
329 HG3 PRO 49 1HG PRO 49 2.833 12.432 -4.128
330 HD2 PRO 49 2HD PRO 49 3.033 12.529 -1.376
331 HD3 PRO 49 1HD PRO 49 3.548 11.156 -2.375
332 H SER 50 H SER 50 4.962 14.355 -0.529
333 HA SER 50 HA SER 50 5.761 17.110 -1.188
334 HB2 SER 50 2HB SER 50 3.372 17.082 -1.094
335 HB3 SER 50 1HB SER 50 3.377 16.150 0.402
336 HG SER 50 HG SER 50 3.062 18.209 1.042
337 H CYS 51 H CYS 51 4.841 15.326 1.778
338 HA CYS 51 HA CYS 51 6.783 16.742 3.338
339 HB2 CYS 51 2HB CYS 51 6.029 15.348 5.192
340 HB3 CYS 51 1HB CYS 51 4.644 15.970 4.297
341 H SER 52 H SER 52 6.764 13.756 1.559
342 HA SER 52 HA SER 52 8.370 12.217 1.122
343 HB2 SER 52 2HB SER 52 10.316 14.088 2.487
344 HB3 SER 52 1HB SER 52 10.689 12.829 1.311
345 HG SER 52 HG SER 52 9.342 15.282 0.894
346 H LEU 53 H LEU 53 6.807 11.872 3.395
347 HA LEU 53 HA LEU 53 8.479 11.079 5.613
348 HB2 LEU 53 2HB LEU 53 5.596 11.276 5.044
349 HB3 LEU 53 1HB LEU 53 6.041 9.957 6.108
350 HG LEU 53 HG LEU 53 6.966 12.763 6.653
351 HD11 LEU 53 1HD1 LEU 53 4.265 11.600 6.975
352 HD12 LEU 53 2HD1 LEU 53 4.761 13.276 6.743
353 HD13 LEU 53 3HD1 LEU 53 4.903 12.528 8.334
354 HD21 LEU 53 3HD2 LEU 53 6.610 11.623 9.038
355 HD22 LEU 53 1HD2 LEU 53 8.105 11.445 8.118
356 HD23 LEU 53 2HD2 LEU 53 6.892 10.165 8.084
357 H ILE 54 H ILE 54 7.725 8.747 6.538
358 HA ILE 54 HA ILE 54 7.879 6.788 4.353
359 HB ILE 54 HB ILE 54 9.497 5.459 5.783
360 HG12 ILE 54 2HG1 ILE 54 9.872 8.154 7.118
361 HG13 ILE 54 1HG1 ILE 54 9.173 6.728 7.876
362 HG21 ILE 54 1HG2 ILE 54 11.241 6.266 4.581
363 HG22 ILE 54 2HG2 ILE 54 10.899 7.944 4.997
364 HG23 ILE 54 3HG2 ILE 54 9.944 7.131 3.757
365 HD11 ILE 54 3HD1 ILE 54 11.961 6.771 6.770
366 HD12 ILE 54 1HD1 ILE 54 11.236 5.593 7.862
367 HD13 ILE 54 2HD1 ILE 54 11.575 7.228 8.428
368 H ILE 55 H ILE 55 6.870 4.844 4.727
369 HA ILE 55 HA ILE 55 5.776 4.257 7.364
370 HB ILE 55 HB ILE 55 3.504 3.805 6.393
371 HG12 ILE 55 2HG1 ILE 55 4.060 5.756 4.213
372 HG13 ILE 55 1HG1 ILE 55 4.602 4.098 3.969
373 HG21 ILE 55 1HG2 ILE 55 2.735 6.078 6.608
374 HG22 ILE 55 2HG2 ILE 55 4.362 6.691 6.314
375 HG23 ILE 55 3HG2 ILE 55 4.016 5.776 7.781
376 HD11 ILE 55 3HD1 ILE 55 1.891 5.221 3.995
377 HD12 ILE 55 1HD1 ILE 55 2.078 3.664 4.802
378 HD13 ILE 55 2HD1 ILE 55 2.548 3.844 3.111
379 H LYS 56 H LYS 56 5.332 2.079 7.699
380 HA LYS 56 HA LYS 56 6.473 0.296 5.688
381 HB2 LYS 56 2HB LYS 56 6.757 0.366 8.407
382 HB3 LYS 56 1HB LYS 56 5.540 -0.886 8.213
383 HG2 LYS 56 2HG LYS 56 8.160 -0.880 6.739
384 HG3 LYS 56 1HG LYS 56 7.906 -1.690 8.286
385 HD2 LYS 56 2HD LYS 56 5.863 -2.759 7.007
386 HD3 LYS 56 1HD LYS 56 6.832 -2.357 5.587
387 HE2 LYS 56 2HE LYS 56 8.679 -3.649 6.413
388 HE3 LYS 56 1HE LYS 56 7.850 -3.936 7.942
389 HZ1 LYS 56 3HZ LYS 56 7.530 -5.260 5.389
390 HZ2 LYS 56 1HZ LYS 56 6.073 -4.895 6.174
391 HZ3 LYS 56 2HZ LYS 56 7.241 -5.839 6.952
392 H VAL 57 H VAL 57 5.423 -1.159 4.563
393 HA VAL 57 HA VAL 57 2.513 -1.316 4.935
394 HB VAL 57 HB VAL 57 3.684 -2.305 2.400
395 HG11 VAL 57 1HG1 VAL 57 1.710 -1.049 1.524
396 HG12 VAL 57 2HG1 VAL 57 1.331 -0.605 3.188
397 HG13 VAL 57 3HG1 VAL 57 1.314 -2.300 2.702
398 HG21 VAL 57 3HG2 VAL 57 3.487 0.268 1.685
399 HG22 VAL 57 1HG2 VAL 57 5.007 -0.468 2.193
400 HG23 VAL 57 2HG2 VAL 57 4.062 0.483 3.337
401 H ILE 58 H ILE 58 1.856 -3.102 5.908
402 HA ILE 58 HA ILE 58 3.461 -5.536 5.760
403 HB ILE 58 HB ILE 58 0.936 -5.103 7.362
404 HG12 ILE 58 2HG1 ILE 58 2.647 -3.432 7.988
405 HG13 ILE 58 1HG1 ILE 58 2.361 -4.591 9.280
406 HG21 ILE 58 1HG2 ILE 58 1.720 -7.447 6.918
407 HG22 ILE 58 2HG2 ILE 58 1.600 -7.008 8.622
408 HG23 ILE 58 3HG2 ILE 58 3.176 -7.060 7.833
409 HD11 ILE 58 3HD1 ILE 58 4.805 -3.841 8.251
410 HD12 ILE 58 1HD1 ILE 58 4.514 -5.426 7.535
411 HD13 ILE 58 2HD1 ILE 58 4.485 -5.232 9.287
412 H TYR 59 H TYR 59 2.871 -7.340 4.695
413 HA TYR 59 HA TYR 59 0.158 -7.718 3.734
414 HB2 TYR 59 2HB TYR 59 1.059 -8.079 1.362
415 HB3 TYR 59 1HB TYR 59 0.911 -6.411 1.908
416 HD1 TYR 59 2HD TYR 59 3.285 -9.139 1.207
417 HD2 TYR 59 1HD TYR 59 2.848 -5.030 2.210
418 HE1 TYR 59 2HE TYR 59 5.671 -8.780 0.732
419 HE2 TYR 59 1HE TYR 59 5.229 -4.652 1.744
420 HH TYR 59 HH TYR 59 7.450 -7.202 1.325
421 H ASP 60 H ASP 60 0.235 -9.832 2.216
422 HA ASP 60 HA ASP 60 1.534 -11.846 3.859
423 HB2 ASP 60 2HB ASP 60 -0.903 -11.859 2.733
424 HB3 ASP 60 1HB ASP 60 -0.004 -12.643 1.436
425 H LYS 61 H LYS 61 3.620 -12.169 3.447
426 HA LYS 61 HA LYS 61 4.923 -11.707 1.010
427 HB2 LYS 61 2HB LYS 61 5.629 -13.196 3.508
428 HB3 LYS 61 1HB LYS 61 6.655 -13.377 2.092
429 HG2 LYS 61 2HG LYS 61 5.942 -10.622 2.928
430 HG3 LYS 61 1HG LYS 61 7.090 -11.517 3.925
431 HD2 LYS 61 2HD LYS 61 8.252 -12.032 1.652
432 HD3 LYS 61 1HD LYS 61 7.334 -10.641 1.074
433 HE2 LYS 61 2HE LYS 61 8.341 -9.223 2.751
434 HE3 LYS 61 1HE LYS 61 9.166 -10.605 3.471
435 HZ1 LYS 61 3HZ LYS 61 10.362 -9.004 1.778
436 HZ2 LYS 61 1HZ LYS 61 9.671 -10.050 0.641
437 HZ3 LYS 61 2HZ LYS 61 10.714 -10.656 1.826
438 H ASP 62 H ASP 62 3.205 -14.516 2.204
439 HA ASP 62 HA ASP 62 4.263 -16.403 0.367
440 HB2 ASP 62 2HB ASP 62 2.812 -16.712 2.563
441 HB3 ASP 62 1HB ASP 62 1.478 -16.683 1.415
442 H GLN 63 H GLN 63 1.426 -14.276 0.303
443 HA GLN 63 HA GLN 63 0.499 -15.261 -2.225
444 HB2 GLN 63 2HB GLN 63 -0.245 -12.810 -0.624
445 HB3 GLN 63 1HB GLN 63 -1.030 -13.272 -2.127
446 HG2 GLN 63 2HG GLN 63 -1.756 -15.368 -1.113
447 HG3 GLN 63 1HG GLN 63 -0.957 -14.916 0.393
448 HE21 GLN 63 1HE2 GLN 63 -3.158 -13.351 -1.927
449 HE22 GLN 63 2HE2 GLN 63 -4.270 -12.777 -0.738
450 H PHE 64 H PHE 64 2.143 -12.287 -1.150
451 HA PHE 64 HA PHE 64 2.342 -11.172 -3.761
452 HB2 PHE 64 2HB PHE 64 3.589 -10.553 -1.105
453 HB3 PHE 64 1HB PHE 64 4.214 -9.784 -2.558
454 HD1 PHE 64 2HD PHE 64 1.058 -10.327 -0.662
455 HD2 PHE 64 1HD PHE 64 3.225 -7.851 -3.364
456 HE1 PHE 64 2HE PHE 64 -0.706 -8.618 -0.507
457 HE2 PHE 64 1HE PHE 64 1.466 -6.139 -3.210
458 HZ PHE 64 HZ PHE 64 -0.503 -6.520 -1.782
459 H VAL 65 H VAL 65 4.451 -13.229 -1.824
460 HA VAL 65 HA VAL 65 6.258 -13.457 -4.145
461 HB VAL 65 HB VAL 65 7.129 -13.740 -1.265
462 HG11 VAL 65 1HG1 VAL 65 8.751 -14.840 -2.417
463 HG12 VAL 65 2HG1 VAL 65 9.372 -13.198 -2.580
464 HG13 VAL 65 3HG1 VAL 65 8.471 -13.935 -3.903
465 HG21 VAL 65 3HG2 VAL 65 6.820 -11.505 -1.197
466 HG22 VAL 65 1HG2 VAL 65 6.839 -11.338 -2.952
467 HG23 VAL 65 2HG2 VAL 65 8.357 -11.485 -2.065
468 H SER 66 H SER 66 5.318 -15.329 -4.954
469 HA SER 66 HA SER 66 5.099 -17.639 -3.170
470 HB2 SER 66 2HB SER 66 3.237 -17.006 -4.778
471 HB3 SER 66 1HB SER 66 4.301 -17.532 -6.081
472 HG SER 66 HG SER 66 4.285 -19.598 -5.235
473 H GLY 67 H GLY 67 7.705 -16.829 -3.616
474 HA2 GLY 67 2HA GLY 67 8.734 -19.122 -5.153
475 HA3 GLY 67 1HA GLY 67 9.414 -17.520 -5.412
476 H GLU 68 H GLU 68 9.876 -16.429 -3.102
477 HA GLU 68 HA GLU 68 11.397 -18.408 -1.538
478 HB2 GLU 68 2HB GLU 68 12.179 -15.660 -2.475
479 HB3 GLU 68 1HB GLU 68 12.932 -16.373 -1.055
480 HG2 GLU 68 2HG GLU 68 13.626 -18.300 -2.432
481 HG3 GLU 68 1HG GLU 68 12.947 -17.497 -3.847
482 H THR 69 H THR 69 8.765 -17.780 -0.879
483 HA THR 69 HA THR 69 8.501 -15.670 0.980
484 HB THR 69 HB THR 69 6.492 -16.588 0.108
485 HG1 THR 69 1HG THR 69 5.395 -16.760 1.940
486 HG21 THR 69 3HG2 THR 69 7.677 -19.197 0.784
487 HG22 THR 69 1HG2 THR 69 6.617 -18.733 -0.546
488 HG23 THR 69 2HG2 THR 69 5.942 -19.033 1.055
489 H VAL 70 H VAL 70 8.388 -15.722 3.274
490 HA VAL 70 HA VAL 70 9.298 -18.022 4.738
491 HB VAL 70 HB VAL 70 11.444 -17.204 3.890
492 HG11 VAL 70 1HG1 VAL 70 12.189 -15.063 4.000
493 HG12 VAL 70 2HG1 VAL 70 11.327 -14.719 5.500
494 HG13 VAL 70 3HG1 VAL 70 10.457 -14.729 3.965
495 HG21 VAL 70 3HG2 VAL 70 10.998 -16.787 6.840
496 HG22 VAL 70 1HG2 VAL 70 12.588 -16.890 6.084
497 HG23 VAL 70 2HG2 VAL 70 11.493 -18.273 6.028
498 HA PRO 71 HA PRO 71 6.896 -15.780 7.754
499 HB2 PRO 71 2HB PRO 71 7.213 -17.444 9.844
500 HB3 PRO 71 1HB PRO 71 6.234 -17.886 8.441
501 HG2 PRO 71 2HG PRO 71 9.044 -18.672 9.113
502 HG3 PRO 71 1HG PRO 71 7.724 -19.673 8.482
503 HD2 PRO 71 2HD PRO 71 9.712 -18.639 6.920
504 HD3 PRO 71 1HD PRO 71 8.080 -18.991 6.317
505 H ALA 72 H ALA 72 7.256 -15.328 10.299
506 HA ALA 72 HA ALA 72 10.006 -14.753 10.985
507 HB1 ALA 72 1HB ALA 72 8.989 -12.866 9.456
508 HB2 ALA 72 2HB ALA 72 10.010 -12.468 10.840
509 HB3 ALA 72 3HB ALA 72 8.254 -12.347 10.973
510 HA PRO 73 HA PRO 73 8.355 -15.238 15.065
511 HB2 PRO 73 2HB PRO 73 10.229 -13.944 16.530
512 HB3 PRO 73 1HB PRO 73 10.538 -15.501 15.752
513 HG2 PRO 73 2HG PRO 73 11.272 -12.746 14.832
514 HG3 PRO 73 1HG PRO 73 12.256 -14.222 14.835
515 HD2 PRO 73 2HD PRO 73 11.014 -13.305 12.610
516 HD3 PRO 73 1HD PRO 73 11.267 -15.034 12.916
517 H SER 74 H SER 74 8.013 -13.831 17.149
518 HA SER 74 HA SER 74 7.418 -11.046 16.604
519 HB2 SER 74 2HB SER 74 5.323 -13.150 16.805
520 HB3 SER 74 1HB SER 74 5.008 -11.624 17.629
521 HG SER 74 HG SER 74 5.354 -10.562 15.641
522 H ALA 75 H ALA 75 7.856 -9.872 18.355
523 HA ALA 75 HA ALA 75 8.465 -11.186 20.851
524 HB1 ALA 75 1HB ALA 75 8.854 -8.669 21.511
525 HB2 ALA 75 2HB ALA 75 8.809 -8.433 19.764
526 HB3 ALA 75 3HB ALA 75 9.997 -9.524 20.475
527 H ASN 76 H ASN 76 6.332 -8.434 20.005
528 HA ASN 76 HA ASN 76 4.175 -9.472 21.578
529 HB2 ASN 76 2HB ASN 76 4.078 -7.573 23.188
530 HB3 ASN 76 1HB ASN 76 5.480 -8.609 23.425
531 HD21 ASN 76 1HD2 ASN 76 5.015 -5.814 24.191
532 HD22 ASN 76 2HD2 ASN 76 6.307 -4.914 23.482
533 H LYS 77 H LYS 77 2.232 -8.217 21.387
534 HA LYS 77 HA LYS 77 2.335 -6.059 19.391
535 HB2 LYS 77 2HB LYS 77 0.567 -8.502 19.335
536 HB3 LYS 77 1HB LYS 77 0.203 -7.048 18.418
537 HG2 LYS 77 2HG LYS 77 2.842 -8.429 18.124
538 HG3 LYS 77 1HG LYS 77 1.417 -8.985 17.246
539 HD2 LYS 77 2HD LYS 77 2.156 -6.092 17.152
540 HD3 LYS 77 1HD LYS 77 3.059 -7.245 16.169
541 HE2 LYS 77 2HE LYS 77 0.596 -8.031 15.535
542 HE3 LYS 77 1HE LYS 77 0.233 -6.357 15.952
543 HZ1 LYS 77 3HZ LYS 77 0.711 -6.226 13.718
544 HZ2 LYS 77 1HZ LYS 77 1.928 -7.400 13.781
545 HZ3 LYS 77 2HZ LYS 77 2.215 -5.849 14.394
546 H GLU 78 H GLU 78 1.455 -4.299 20.250
547 HA GLU 78 HA GLU 78 -1.069 -4.496 21.693
548 HB2 GLU 78 2HB GLU 78 1.127 -4.477 23.223
549 HB3 GLU 78 1HB GLU 78 0.974 -2.745 22.964
550 HG2 GLU 78 2HG GLU 78 -1.477 -4.178 23.769
551 HG3 GLU 78 1HG GLU 78 -0.202 -4.046 24.979
552 H LEU 79 H LEU 79 -2.250 -3.284 20.326
553 HA LEU 79 HA LEU 79 -2.003 -0.489 20.282
554 HB2 LEU 79 2HB LEU 79 -1.325 -0.021 18.042
555 HB3 LEU 79 1HB LEU 79 -0.093 -1.029 18.773
556 HG LEU 79 HG LEU 79 -2.224 -2.036 16.881
557 HD11 LEU 79 1HD1 LEU 79 -0.053 -2.329 15.443
558 HD12 LEU 79 2HD1 LEU 79 0.533 -0.997 16.440
559 HD13 LEU 79 3HD1 LEU 79 -0.922 -0.794 15.464
560 HD21 LEU 79 3HD2 LEU 79 0.128 -3.326 18.235
561 HD22 LEU 79 1HD2 LEU 79 -0.572 -3.980 16.753
562 HD23 LEU 79 2HD2 LEU 79 -1.556 -3.850 18.210
563 H VAL 80 H VAL 80 -3.957 0.335 19.877
564 HA VAL 80 HA VAL 80 -5.920 -1.384 18.505
565 HB VAL 80 HB VAL 80 -6.437 -1.004 20.881
566 HG11 VAL 80 1HG1 VAL 80 -5.467 1.510 20.535
567 HG12 VAL 80 2HG1 VAL 80 -6.454 0.993 21.901
568 HG13 VAL 80 3HG1 VAL 80 -7.206 1.805 20.530
569 HG21 VAL 80 3HG2 VAL 80 -8.158 -0.965 18.818
570 HG22 VAL 80 1HG2 VAL 80 -8.544 0.587 19.561
571 HG23 VAL 80 2HG2 VAL 80 -8.662 -0.897 20.507
572 H LYS 81 H LYS 81 -7.095 -0.586 16.830
573 HA LYS 81 HA LYS 81 -6.176 1.847 15.597
574 HB2 LYS 81 2HB LYS 81 -8.184 -0.258 14.826
575 HB3 LYS 81 1HB LYS 81 -8.020 1.226 13.900
576 HG2 LYS 81 2HG LYS 81 -5.537 -0.284 14.447
577 HG3 LYS 81 1HG LYS 81 -6.686 -1.007 13.319
578 HD2 LYS 81 2HD LYS 81 -6.157 1.859 12.901
579 HD3 LYS 81 1HD LYS 81 -4.777 0.795 12.626
580 HE2 LYS 81 2HE LYS 81 -5.831 0.938 10.540
581 HE3 LYS 81 1HE LYS 81 -6.364 -0.608 11.198
582 HZ1 LYS 81 3HZ LYS 81 -8.202 0.606 10.222
583 HZ2 LYS 81 1HZ LYS 81 -7.920 1.925 11.244
584 HZ3 LYS 81 2HZ LYS 81 -8.434 0.448 11.891
585 H LEU 82 H LEU 82 -6.900 3.784 16.166
586 HA LEU 82 HA LEU 82 -9.359 4.127 17.610
587 HB2 LEU 82 2HB LEU 82 -7.051 5.480 17.643
588 HB3 LEU 82 1HB LEU 82 -7.921 6.473 16.489
589 HG LEU 82 HG LEU 82 -9.793 6.404 18.369
590 HD11 LEU 82 1HD1 LEU 82 -7.979 4.915 19.663
591 HD12 LEU 82 2HD1 LEU 82 -9.142 5.955 20.484
592 HD13 LEU 82 3HD1 LEU 82 -7.492 6.517 20.214
593 HD21 LEU 82 3HD2 LEU 82 -7.358 8.165 18.608
594 HD22 LEU 82 1HD2 LEU 82 -8.995 8.532 19.152
595 HD23 LEU 82 2HD2 LEU 82 -8.649 8.396 17.429
596 H GLU 83 H GLU 83 -11.296 4.319 16.738
597 HA GLU 83 HA GLU 83 -11.612 5.743 14.195
598 HB2 GLU 83 2HB GLU 83 -12.412 2.928 14.797
599 HB3 GLU 83 1HB GLU 83 -13.456 3.890 13.760
600 HG2 GLU 83 2HG GLU 83 -12.039 3.798 12.030
601 HG3 GLU 83 1HG GLU 83 -10.616 3.995 13.050
602 H HIS 84 H HIS 84 -12.123 6.604 16.899
603 HA HIS 84 HA HIS 84 -15.056 6.612 17.065
604 HB2 HIS 84 2HB HIS 84 -13.401 6.142 19.062
605 HB3 HIS 84 1HB HIS 84 -13.302 7.899 19.124
606 HD1 HIS 84 1HD HIS 84 -15.434 9.181 19.870
607 HD2 HIS 84 2HD HIS 84 -15.814 5.043 19.936
608 HE1 HIS 84 1HE HIS 84 -17.526 8.718 21.187
609 HE2 HIS 84 2HE HIS 84 -17.696 6.206 21.276
Start of MODEL 13
1 H1 MET 1 1HT MET 1 18.572 10.121 11.380
2 H2 MET 1 2HT MET 1 17.893 8.775 12.200
3 H3 MET 1 3HT MET 1 18.747 9.974 13.079
4 HA MET 1 HA MET 1 16.577 10.453 13.500
5 HB2 MET 1 2HB MET 1 17.726 12.095 11.258
6 HB3 MET 1 1HB MET 1 16.167 12.507 11.961
7 HG2 MET 1 2HG MET 1 17.166 12.803 14.128
8 HG3 MET 1 1HG MET 1 18.726 12.247 13.525
9 HE1 MET 1 2HE MET 1 17.800 16.415 14.113
10 HE2 MET 1 3HE MET 1 18.003 14.986 15.127
11 HE3 MET 1 1HE MET 1 16.497 15.233 14.240
12 H ALA 2 H ALA 2 16.994 9.591 10.090
13 HA ALA 2 HA ALA 2 14.228 9.703 9.419
14 HB1 ALA 2 1HB ALA 2 16.306 8.064 7.988
15 HB2 ALA 2 2HB ALA 2 16.189 9.815 7.814
16 HB3 ALA 2 3HB ALA 2 14.838 8.787 7.331
17 H VAL 3 H VAL 3 13.020 8.523 10.865
18 HA VAL 3 HA VAL 3 13.439 5.605 10.823
19 HB VAL 3 HB VAL 3 12.288 5.548 13.050
20 HG11 VAL 3 1HG1 VAL 3 14.326 6.648 14.268
21 HG12 VAL 3 2HG1 VAL 3 14.959 6.812 12.631
22 HG13 VAL 3 3HG1 VAL 3 14.553 5.217 13.265
23 HG21 VAL 3 3HG2 VAL 3 12.704 8.534 12.930
24 HG22 VAL 3 1HG2 VAL 3 12.240 7.632 14.373
25 HG23 VAL 3 2HG2 VAL 3 11.159 7.686 12.982
26 H PHE 4 H PHE 4 11.601 4.286 10.694
27 HA PHE 4 HA PHE 4 9.506 5.226 9.077
28 HB2 PHE 4 2HB PHE 4 10.080 2.704 10.554
29 HB3 PHE 4 1HB PHE 4 8.425 2.969 10.023
30 HD1 PHE 4 2HD PHE 4 11.898 3.205 8.651
31 HD2 PHE 4 1HD PHE 4 7.831 2.146 7.975
32 HE1 PHE 4 2HE PHE 4 12.488 2.379 6.409
33 HE2 PHE 4 1HE PHE 4 8.416 1.317 5.735
34 HZ PHE 4 HZ PHE 4 10.746 1.432 4.949
35 H HIS 5 H HIS 5 7.695 6.284 9.538
36 HA HIS 5 HA HIS 5 7.082 7.245 12.094
37 HB2 HIS 5 2HB HIS 5 6.348 8.184 9.833
38 HB3 HIS 5 1HB HIS 5 5.062 6.982 9.863
39 HD1 HIS 5 1HD HIS 5 6.310 9.307 12.609
40 HD2 HIS 5 2HD HIS 5 2.839 8.375 10.523
41 HE1 HIS 5 1HE HIS 5 4.501 10.702 13.657
42 HE2 HIS 5 2HE HIS 5 2.391 10.038 12.451
43 H ASP 6 H ASP 6 5.111 4.941 10.196
44 HA ASP 6 HA ASP 6 4.718 3.264 12.508
45 HB2 ASP 6 2HB ASP 6 2.618 5.156 11.567
46 HB3 ASP 6 1HB ASP 6 2.096 3.534 12.011
47 H GLU 7 H GLU 7 3.431 1.330 11.996
48 HA GLU 7 HA GLU 7 3.811 0.566 9.188
49 HB2 GLU 7 2HB GLU 7 3.206 -1.252 11.523
50 HB3 GLU 7 1HB GLU 7 3.785 -1.717 9.930
51 HG2 GLU 7 2HG GLU 7 5.933 -0.872 10.343
52 HG3 GLU 7 1HG GLU 7 5.394 0.042 11.749
53 H VAL 8 H VAL 8 2.146 -0.014 7.896
54 HA VAL 8 HA VAL 8 -0.531 -0.220 9.105
55 HB VAL 8 HB VAL 8 0.023 1.196 6.496
56 HG11 VAL 8 1HG1 VAL 8 -2.236 1.738 6.432
57 HG12 VAL 8 2HG1 VAL 8 -2.470 1.396 8.145
58 HG13 VAL 8 3HG1 VAL 8 -2.243 0.071 7.004
59 HG21 VAL 8 3HG2 VAL 8 -0.826 3.180 8.049
60 HG22 VAL 8 1HG2 VAL 8 0.882 2.771 7.895
61 HG23 VAL 8 2HG2 VAL 8 -0.039 2.200 9.285
62 H GLU 9 H GLU 9 -1.888 -1.717 8.234
63 HA GLU 9 HA GLU 9 -0.715 -3.811 6.680
64 HB2 GLU 9 2HB GLU 9 -3.490 -3.343 7.764
65 HB3 GLU 9 1HB GLU 9 -3.105 -4.731 6.757
66 HG2 GLU 9 2HG GLU 9 -1.542 -5.553 8.372
67 HG3 GLU 9 1HG GLU 9 -1.690 -4.084 9.333
68 H ILE 10 H ILE 10 -1.048 -4.374 4.587
69 HA ILE 10 HA ILE 10 -1.595 -2.413 2.683
70 HB ILE 10 HB ILE 10 -0.278 -4.456 2.233
71 HG12 ILE 10 2HG1 ILE 10 -1.287 -4.912 -0.052
72 HG13 ILE 10 1HG1 ILE 10 -2.612 -3.852 0.415
73 HG21 ILE 10 1HG2 ILE 10 -2.969 -5.809 2.275
74 HG22 ILE 10 2HG2 ILE 10 -1.589 -6.133 3.323
75 HG23 ILE 10 3HG2 ILE 10 -1.506 -6.530 1.607
76 HD11 ILE 10 3HD1 ILE 10 -1.407 -2.006 0.076
77 HD12 ILE 10 1HD1 ILE 10 -0.359 -3.063 -0.868
78 HD13 ILE 10 2HD1 ILE 10 0.043 -2.695 0.808
79 H GLU 11 H GLU 11 -3.768 -4.626 4.313
80 HA GLU 11 HA GLU 11 -5.942 -4.542 2.538
81 HB2 GLU 11 2HB GLU 11 -7.336 -5.029 4.588
82 HB3 GLU 11 1HB GLU 11 -6.018 -6.151 4.287
83 HG2 GLU 11 2HG GLU 11 -4.977 -5.633 6.200
84 HG3 GLU 11 1HG GLU 11 -5.306 -3.911 6.030
85 H ASP 12 H ASP 12 -4.839 -2.269 4.977
86 HA ASP 12 HA ASP 12 -7.191 -0.632 4.917
87 HB2 ASP 12 2HB ASP 12 -5.230 -0.844 6.715
88 HB3 ASP 12 1HB ASP 12 -4.567 0.496 5.782
89 H PHE 13 H PHE 13 -4.189 -0.777 3.132
90 HA PHE 13 HA PHE 13 -4.170 1.800 2.008
91 HB2 PHE 13 2HB PHE 13 -2.910 -0.816 1.380
92 HB3 PHE 13 1HB PHE 13 -2.973 0.356 0.075
93 HD1 PHE 13 2HD PHE 13 -2.017 0.153 3.683
94 HD2 PHE 13 1HD PHE 13 -1.235 1.822 -0.153
95 HE1 PHE 13 2HE PHE 13 -0.007 1.259 4.575
96 HE2 PHE 13 1HE PHE 13 0.774 2.926 0.730
97 HZ PHE 13 HZ PHE 13 1.392 2.647 3.097
98 H GLN 14 H GLN 14 -4.362 2.091 -0.480
99 HA GLN 14 HA GLN 14 -6.940 0.946 -1.341
100 HB2 GLN 14 2HB GLN 14 -6.505 3.554 -0.867
101 HB3 GLN 14 1HB GLN 14 -5.974 3.486 -2.541
102 HG2 GLN 14 2HG GLN 14 -8.279 2.205 -2.825
103 HG3 GLN 14 1HG GLN 14 -8.682 3.148 -1.391
104 HE21 GLN 14 1HE2 GLN 14 -9.275 5.212 -1.648
105 HE22 GLN 14 2HE2 GLN 14 -9.167 6.101 -3.124
106 H TYR 15 H TYR 15 -6.553 -0.609 -2.805
107 HA TYR 15 HA TYR 15 -4.236 -0.724 -4.428
108 HB2 TYR 15 2HB TYR 15 -5.483 -2.749 -3.842
109 HB3 TYR 15 1HB TYR 15 -6.879 -2.170 -4.746
110 HD1 TYR 15 2HD TYR 15 -3.224 -2.742 -5.341
111 HD2 TYR 15 1HD TYR 15 -7.190 -3.096 -6.836
112 HE1 TYR 15 2HE TYR 15 -2.355 -3.837 -7.361
113 HE2 TYR 15 1HE TYR 15 -6.334 -4.191 -8.864
114 HH TYR 15 HH TYR 15 -3.403 -5.532 -9.135
115 H ASP 16 H ASP 16 -3.833 -0.037 -6.451
116 HA ASP 16 HA ASP 16 -5.944 1.522 -7.789
117 HB2 ASP 16 2HB ASP 16 -3.814 2.693 -6.918
118 HB3 ASP 16 1HB ASP 16 -2.989 1.897 -8.253
119 H GLU 17 H GLU 17 -6.815 0.016 -9.139
120 HA GLU 17 HA GLU 17 -5.463 -1.989 -10.537
121 HB2 GLU 17 2HB GLU 17 -7.465 -1.840 -12.138
122 HB3 GLU 17 1HB GLU 17 -7.790 -2.236 -10.458
123 HG2 GLU 17 2HG GLU 17 -8.821 -0.238 -10.042
124 HG3 GLU 17 1HG GLU 17 -7.912 0.616 -11.286
125 H ASP 18 H ASP 18 -5.754 1.406 -11.217
126 HA ASP 18 HA ASP 18 -5.392 1.612 -13.921
127 HB2 ASP 18 2HB ASP 18 -5.432 3.406 -11.916
128 HB3 ASP 18 1HB ASP 18 -3.708 3.414 -12.259
129 H SER 19 H SER 19 -2.763 1.346 -11.506
130 HA SER 19 HA SER 19 -1.131 -0.022 -13.499
131 HB2 SER 19 2HB SER 19 0.084 2.298 -12.006
132 HB3 SER 19 1HB SER 19 0.711 1.450 -13.417
133 HG SER 19 HG SER 19 -0.926 3.590 -13.305
134 H GLU 20 H GLU 20 -2.436 -0.817 -10.993
135 HA GLU 20 HA GLU 20 -2.041 -1.977 -9.077
136 HB2 GLU 20 2HB GLU 20 0.636 -2.598 -10.321
137 HB3 GLU 20 1HB GLU 20 -0.243 -3.565 -9.148
138 HG2 GLU 20 2HG GLU 20 -1.765 -4.322 -10.717
139 HG3 GLU 20 1HG GLU 20 -1.456 -2.979 -11.815
140 H THR 21 H THR 21 -1.920 0.204 -8.032
141 HA THR 21 HA THR 21 0.622 0.435 -6.586
142 HB THR 21 HB THR 21 -0.869 2.903 -7.475
143 HG1 THR 21 1HG THR 21 1.142 1.474 -8.858
144 HG21 THR 21 3HG2 THR 21 0.854 4.115 -6.694
145 HG22 THR 21 1HG2 THR 21 2.052 2.892 -7.115
146 HG23 THR 21 2HG2 THR 21 1.083 2.710 -5.653
147 H TYR 22 H TYR 22 0.427 1.051 -4.430
148 HA TYR 22 HA TYR 22 -2.343 1.239 -3.436
149 HB2 TYR 22 2HB TYR 22 0.055 0.218 -1.905
150 HB3 TYR 22 1HB TYR 22 -1.628 0.166 -1.395
151 HD1 TYR 22 2HD TYR 22 0.677 -1.107 -4.031
152 HD2 TYR 22 1HD TYR 22 -2.931 -1.721 -1.860
153 HE1 TYR 22 2HE TYR 22 0.447 -3.326 -5.053
154 HE2 TYR 22 1HE TYR 22 -3.170 -3.945 -2.877
155 HH TYR 22 HH TYR 22 -1.513 -5.686 -3.911
156 H PHE 23 H PHE 23 -2.904 2.860 -2.040
157 HA PHE 23 HA PHE 23 -0.780 4.750 -1.261
158 HB2 PHE 23 2HB PHE 23 -3.542 5.548 -2.193
159 HB3 PHE 23 1HB PHE 23 -2.221 6.628 -1.768
160 HD1 PHE 23 2HD PHE 23 -3.110 3.915 -4.163
161 HD2 PHE 23 1HD PHE 23 -0.820 7.428 -3.428
162 HE1 PHE 23 2HE PHE 23 -2.368 3.918 -6.506
163 HE2 PHE 23 1HE PHE 23 -0.077 7.438 -5.772
164 HZ PHE 23 HZ PHE 23 -0.849 5.680 -7.315
165 H TYR 24 H TYR 24 -1.259 6.096 0.593
166 HA TYR 24 HA TYR 24 -3.428 5.140 2.320
167 HB2 TYR 24 2HB TYR 24 -1.214 3.982 2.848
168 HB3 TYR 24 1HB TYR 24 -0.641 5.554 3.393
169 HD1 TYR 24 1HD TYR 24 -3.632 3.356 3.890
170 HD2 TYR 24 2HD TYR 24 -0.765 5.954 5.663
171 HE1 TYR 24 1HE TYR 24 -4.633 2.947 6.096
172 HE2 TYR 24 2HE TYR 24 -1.759 5.550 7.875
173 HH TYR 24 HH TYR 24 -4.643 4.474 8.430
174 HA PRO 25 HA PRO 25 -4.137 9.489 2.888
175 HB2 PRO 25 2HB PRO 25 -5.209 8.678 5.534
176 HB3 PRO 25 1HB PRO 25 -5.986 9.587 4.234
177 HG2 PRO 25 2HG PRO 25 -6.650 7.050 4.714
178 HG3 PRO 25 1HG PRO 25 -6.554 7.674 3.057
179 HD2 PRO 25 2HD PRO 25 -4.611 5.961 4.554
180 HD3 PRO 25 1HD PRO 25 -5.109 5.880 2.851
181 H CYS 26 H CYS 26 -2.652 10.937 3.462
182 HA CYS 26 HA CYS 26 -0.925 10.387 5.761
183 HB2 CYS 26 2HB CYS 26 -0.384 11.331 3.198
184 HB3 CYS 26 1HB CYS 26 -0.251 12.761 4.220
185 HA PRO 27 HA PRO 27 -2.922 13.448 8.257
186 HB2 PRO 27 2HB PRO 27 -0.865 14.112 9.908
187 HB3 PRO 27 1HB PRO 27 -1.770 12.600 10.049
188 HG2 PRO 27 2HG PRO 27 0.886 13.106 8.765
189 HG3 PRO 27 1HG PRO 27 0.379 11.756 9.795
190 HD2 PRO 27 2HD PRO 27 0.526 11.553 7.103
191 HD3 PRO 27 1HD PRO 27 -0.675 10.662 8.063
192 H CYS 28 H CYS 28 -0.119 14.175 6.345
193 HA CYS 28 HA CYS 28 -0.055 16.981 6.969
194 HB2 CYS 28 2HB CYS 28 1.597 17.138 5.169
195 HB3 CYS 28 1HB CYS 28 1.977 15.801 6.247
196 H GLY 29 H GLY 29 -1.560 14.961 4.512
197 HA2 GLY 29 2HA GLY 29 -3.711 16.331 3.829
198 HA3 GLY 29 1HA GLY 29 -2.488 17.300 3.020
199 H ASP 30 H ASP 30 -0.770 15.405 2.049
200 HA ASP 30 HA ASP 30 -2.260 14.376 -0.185
201 HB2 ASP 30 2HB ASP 30 0.267 15.299 0.077
202 HB3 ASP 30 1HB ASP 30 0.573 13.569 0.180
203 H ASN 31 H ASN 31 -0.844 11.991 -0.761
204 HA ASN 31 HA ASN 31 -1.452 10.205 1.477
205 HB2 ASN 31 2HB ASN 31 -2.484 9.691 -1.322
206 HB3 ASN 31 1HB ASN 31 -2.774 8.713 0.112
207 HD21 ASN 31 1HD2 ASN 31 -3.403 11.859 -1.359
208 HD22 ASN 31 2HD2 ASN 31 -4.871 12.162 -0.500
209 H PHE 32 H PHE 32 -0.164 8.432 1.610
210 HA PHE 32 HA PHE 32 2.318 8.424 0.277
211 HB2 PHE 32 2HB PHE 32 0.892 6.523 2.097
212 HB3 PHE 32 1HB PHE 32 2.340 5.973 1.261
213 HD1 PHE 32 2HD PHE 32 4.435 7.486 1.489
214 HD2 PHE 32 1HD PHE 32 1.088 7.637 4.114
215 HE1 PHE 32 2HE PHE 32 5.840 8.533 3.215
216 HE2 PHE 32 1HE PHE 32 2.489 8.687 5.843
217 HZ PHE 32 HZ PHE 32 4.868 9.134 5.395
218 H SER 33 H SER 33 3.211 6.592 -1.016
219 HA SER 33 HA SER 33 1.237 5.159 -2.627
220 HB2 SER 33 2HB SER 33 3.450 6.667 -4.012
221 HB3 SER 33 1HB SER 33 1.998 5.958 -4.715
222 HG SER 33 HG SER 33 2.374 8.420 -3.595
223 H ILE 34 H ILE 34 1.907 3.199 -3.361
224 HA ILE 34 HA ILE 34 4.717 2.489 -3.398
225 HB ILE 34 HB ILE 34 4.153 2.033 -1.064
226 HG12 ILE 34 2HG1 ILE 34 4.255 -0.691 -2.284
227 HG13 ILE 34 1HG1 ILE 34 5.553 0.438 -2.659
228 HG21 ILE 34 1HG2 ILE 34 2.309 -0.178 -1.702
229 HG22 ILE 34 2HG2 ILE 34 1.663 1.452 -1.889
230 HG23 ILE 34 3HG2 ILE 34 2.319 0.938 -0.336
231 HD11 ILE 34 3HD1 ILE 34 4.940 0.299 0.181
232 HD12 ILE 34 1HD1 ILE 34 6.487 0.186 -0.658
233 HD13 ILE 34 2HD1 ILE 34 5.459 -1.238 -0.506
234 H THR 35 H THR 35 5.070 1.279 -5.139
235 HA THR 35 HA THR 35 2.920 0.315 -6.746
236 HB THR 35 HB THR 35 4.930 -0.764 -8.024
237 HG1 THR 35 1HG THR 35 6.756 -0.544 -7.034
238 HG21 THR 35 3HG2 THR 35 5.105 2.211 -7.807
239 HG22 THR 35 1HG2 THR 35 3.712 1.428 -8.553
240 HG23 THR 35 2HG2 THR 35 5.325 1.180 -9.220
241 H LYS 36 H LYS 36 2.388 -1.815 -7.304
242 HA LYS 36 HA LYS 36 2.344 -3.684 -5.210
243 HB2 LYS 36 2HB LYS 36 0.735 -3.581 -7.138
244 HB3 LYS 36 1HB LYS 36 1.986 -4.287 -8.153
245 HG2 LYS 36 2HG LYS 36 1.244 -5.708 -5.650
246 HG3 LYS 36 1HG LYS 36 0.121 -5.760 -7.011
247 HD2 LYS 36 2HD LYS 36 2.484 -6.290 -8.251
248 HD3 LYS 36 1HD LYS 36 2.750 -7.033 -6.673
249 HE2 LYS 36 2HE LYS 36 1.771 -8.785 -7.760
250 HE3 LYS 36 1HE LYS 36 0.334 -8.000 -7.107
251 HZ1 LYS 36 3HZ LYS 36 -0.239 -7.151 -9.166
252 HZ2 LYS 36 1HZ LYS 36 0.373 -8.674 -9.574
253 HZ3 LYS 36 2HZ LYS 36 1.324 -7.294 -9.797
254 H GLU 37 H GLU 37 4.481 -3.366 -8.009
255 HA GLU 37 HA GLU 37 5.837 -5.810 -7.762
256 HB2 GLU 37 2HB GLU 37 5.912 -4.015 -9.651
257 HB3 GLU 37 1HB GLU 37 7.221 -3.319 -8.704
258 HG2 GLU 37 2HG GLU 37 8.538 -4.668 -9.888
259 HG3 GLU 37 1HG GLU 37 7.959 -5.936 -8.810
260 H ASP 38 H ASP 38 6.349 -2.687 -6.184
261 HA ASP 38 HA ASP 38 8.858 -3.177 -5.042
262 HB2 ASP 38 2HB ASP 38 6.583 -1.347 -4.447
263 HB3 ASP 38 1HB ASP 38 7.772 -1.584 -3.172
264 H LEU 39 H LEU 39 5.596 -3.766 -3.750
265 HA LEU 39 HA LEU 39 6.420 -4.868 -1.287
266 HB2 LEU 39 2HB LEU 39 3.893 -5.498 -2.812
267 HB3 LEU 39 1HB LEU 39 4.160 -5.709 -1.093
268 HG LEU 39 HG LEU 39 4.412 -2.968 -2.258
269 HD11 LEU 39 1HD1 LEU 39 2.331 -3.832 -3.192
270 HD12 LEU 39 2HD1 LEU 39 2.021 -2.597 -1.972
271 HD13 LEU 39 3HD1 LEU 39 1.796 -4.302 -1.579
272 HD21 LEU 39 3HD2 LEU 39 3.744 -2.268 -0.085
273 HD22 LEU 39 1HD2 LEU 39 4.968 -3.520 0.126
274 HD23 LEU 39 2HD2 LEU 39 3.264 -3.904 0.364
275 H GLU 40 H GLU 40 5.885 -6.285 -4.477
276 HA GLU 40 HA GLU 40 6.012 -8.999 -3.727
277 HB2 GLU 40 2HB GLU 40 6.476 -7.507 -6.280
278 HB3 GLU 40 1HB GLU 40 6.896 -9.210 -6.184
279 HG2 GLU 40 2HG GLU 40 4.262 -8.745 -5.127
280 HG3 GLU 40 1HG GLU 40 4.410 -8.122 -6.768
281 H ASN 41 H ASN 41 8.521 -6.613 -4.354
282 HA ASN 41 HA ASN 41 10.632 -8.615 -4.295
283 HB2 ASN 41 2HB ASN 41 10.460 -5.725 -4.964
284 HB3 ASN 41 1HB ASN 41 12.000 -6.306 -4.337
285 HD21 ASN 41 1HD2 ASN 41 10.758 -5.489 -7.078
286 HD22 ASN 41 2HD2 ASN 41 11.381 -6.699 -8.142
287 H GLY 42 H GLY 42 9.323 -6.101 -2.199
288 HA2 GLY 42 2HA GLY 42 9.730 -6.907 0.234
289 HA3 GLY 42 1HA GLY 42 11.411 -6.650 -0.208
290 H GLU 43 H GLU 43 10.133 -4.326 -1.955
291 HA GLU 43 HA GLU 43 10.799 -2.235 -0.164
292 HB2 GLU 43 2HB GLU 43 9.591 -2.336 -2.914
293 HB3 GLU 43 1HB GLU 43 9.677 -0.814 -2.040
294 HG2 GLU 43 2HG GLU 43 12.001 -2.576 -2.780
295 HG3 GLU 43 1HG GLU 43 11.547 -1.057 -3.554
296 H ASP 44 H ASP 44 9.395 -2.775 1.602
297 HA ASP 44 HA ASP 44 6.551 -2.209 1.250
298 HB2 ASP 44 2HB ASP 44 6.435 -2.919 3.689
299 HB3 ASP 44 1HB ASP 44 6.910 -4.162 2.544
300 H VAL 45 H VAL 45 8.285 -0.036 0.877
301 HA VAL 45 HA VAL 45 7.617 1.620 3.214
302 HB VAL 45 HB VAL 45 10.042 1.295 3.102
303 HG11 VAL 45 1HG1 VAL 45 11.382 1.852 1.275
304 HG12 VAL 45 2HG1 VAL 45 10.101 2.785 0.501
305 HG13 VAL 45 3HG1 VAL 45 10.005 1.026 0.547
306 HG21 VAL 45 3HG2 VAL 45 9.008 3.450 3.866
307 HG22 VAL 45 1HG2 VAL 45 9.367 4.108 2.269
308 HG23 VAL 45 2HG2 VAL 45 10.680 3.576 3.320
309 H ALA 46 H ALA 46 6.528 3.453 2.842
310 HA ALA 46 HA ALA 46 6.052 4.192 0.033
311 HB1 ALA 46 1HB ALA 46 3.861 4.498 0.452
312 HB2 ALA 46 2HB ALA 46 4.150 5.169 2.057
313 HB3 ALA 46 3HB ALA 46 4.167 3.422 1.815
314 H THR 47 H THR 47 6.403 6.257 -0.606
315 HA THR 47 HA THR 47 7.359 8.136 1.453
316 HB THR 47 HB THR 47 8.261 8.471 -1.366
317 HG1 THR 47 1HG THR 47 9.276 6.457 0.357
318 HG21 THR 47 3HG2 THR 47 9.133 10.070 0.111
319 HG22 THR 47 1HG2 THR 47 10.438 8.917 -0.168
320 HG23 THR 47 2HG2 THR 47 9.512 8.854 1.332
321 H CYS 48 H CYS 48 6.392 10.058 1.592
322 HA CYS 48 HA CYS 48 4.237 10.664 -0.280
323 HB2 CYS 48 2HB CYS 48 3.908 10.727 2.232
324 HB3 CYS 48 1HB CYS 48 4.940 12.154 2.254
325 HA PRO 49 HA PRO 49 6.787 13.695 -2.315
326 HB2 PRO 49 2HB PRO 49 4.890 14.835 -3.860
327 HB3 PRO 49 1HB PRO 49 5.528 13.217 -4.182
328 HG2 PRO 49 2HG PRO 49 2.975 14.017 -2.844
329 HG3 PRO 49 1HG PRO 49 3.266 12.721 -4.017
330 HD2 PRO 49 2HD PRO 49 3.061 12.309 -1.324
331 HD3 PRO 49 1HD PRO 49 4.005 11.266 -2.407
332 H SER 50 H SER 50 4.399 14.406 -0.015
333 HA SER 50 HA SER 50 4.798 17.300 -0.267
334 HB2 SER 50 2HB SER 50 2.487 15.897 0.158
335 HB3 SER 50 1HB SER 50 2.931 16.351 1.802
336 HG SER 50 HG SER 50 2.966 18.504 1.163
337 H CYS 51 H CYS 51 4.447 15.008 2.466
338 HA CYS 51 HA CYS 51 6.093 16.687 4.136
339 HB2 CYS 51 2HB CYS 51 5.661 15.059 5.891
340 HB3 CYS 51 1HB CYS 51 4.162 15.477 5.068
341 H SER 52 H SER 52 6.573 13.852 2.170
342 HA SER 52 HA SER 52 8.439 12.696 1.583
343 HB2 SER 52 2HB SER 52 10.107 14.675 3.134
344 HB3 SER 52 1HB SER 52 10.565 13.739 1.713
345 HG SER 52 HG SER 52 9.060 15.001 0.513
346 H LEU 53 H LEU 53 7.017 11.815 3.774
347 HA LEU 53 HA LEU 53 9.027 11.011 5.752
348 HB2 LEU 53 2HB LEU 53 6.046 11.175 5.746
349 HB3 LEU 53 1HB LEU 53 6.815 10.013 6.810
350 HG LEU 53 HG LEU 53 7.687 12.878 6.868
351 HD11 LEU 53 1HD1 LEU 53 5.100 11.775 7.790
352 HD12 LEU 53 2HD1 LEU 53 5.520 13.404 7.259
353 HD13 LEU 53 3HD1 LEU 53 5.947 12.869 8.884
354 HD21 LEU 53 3HD2 LEU 53 8.741 10.810 8.106
355 HD22 LEU 53 1HD2 LEU 53 7.411 11.084 9.231
356 HD23 LEU 53 2HD2 LEU 53 8.579 12.367 8.916
357 H ILE 54 H ILE 54 8.384 8.665 6.658
358 HA ILE 54 HA ILE 54 8.090 6.857 4.348
359 HB ILE 54 HB ILE 54 9.732 5.328 5.554
360 HG12 ILE 54 2HG1 ILE 54 10.555 7.916 6.890
361 HG13 ILE 54 1HG1 ILE 54 9.687 6.618 7.703
362 HG21 ILE 54 1HG2 ILE 54 11.729 6.673 4.687
363 HG22 ILE 54 2HG2 ILE 54 10.539 7.886 4.212
364 HG23 ILE 54 3HG2 ILE 54 10.456 6.258 3.539
365 HD11 ILE 54 3HD1 ILE 54 12.455 6.495 6.536
366 HD12 ILE 54 1HD1 ILE 54 11.586 5.111 7.195
367 HD13 ILE 54 2HD1 ILE 54 12.010 6.465 8.242
368 H ILE 55 H ILE 55 6.996 4.952 4.697
369 HA ILE 55 HA ILE 55 6.061 4.334 7.401
370 HB ILE 55 HB ILE 55 3.745 3.957 6.579
371 HG12 ILE 55 2HG1 ILE 55 4.312 5.727 4.234
372 HG13 ILE 55 1HG1 ILE 55 4.645 4.005 4.096
373 HG21 ILE 55 1HG2 ILE 55 3.094 6.341 6.550
374 HG22 ILE 55 2HG2 ILE 55 4.795 6.774 6.389
375 HG23 ILE 55 3HG2 ILE 55 4.230 5.945 7.838
376 HD11 ILE 55 3HD1 ILE 55 2.309 3.531 4.701
377 HD12 ILE 55 1HD1 ILE 55 2.455 4.496 3.232
378 HD13 ILE 55 2HD1 ILE 55 1.996 5.265 4.751
379 H LYS 56 H LYS 56 5.486 2.162 7.730
380 HA LYS 56 HA LYS 56 6.585 0.342 5.729
381 HB2 LYS 56 2HB LYS 56 7.356 0.149 8.070
382 HB3 LYS 56 1HB LYS 56 5.710 -0.207 8.572
383 HG2 LYS 56 2HG LYS 56 6.778 -2.284 8.470
384 HG3 LYS 56 1HG LYS 56 5.821 -2.196 6.990
385 HD2 LYS 56 2HD LYS 56 7.889 -3.006 6.271
386 HD3 LYS 56 1HD LYS 56 7.962 -1.282 5.900
387 HE2 LYS 56 2HE LYS 56 9.979 -1.497 6.921
388 HE3 LYS 56 1HE LYS 56 8.991 -1.197 8.350
389 HZ1 LYS 56 3HZ LYS 56 9.982 -3.808 7.354
390 HZ2 LYS 56 1HZ LYS 56 8.801 -3.672 8.558
391 HZ3 LYS 56 2HZ LYS 56 10.352 -3.052 8.820
392 H VAL 57 H VAL 57 5.500 -1.091 4.611
393 HA VAL 57 HA VAL 57 2.585 -1.149 4.961
394 HB VAL 57 HB VAL 57 3.755 -2.190 2.441
395 HG11 VAL 57 1HG1 VAL 57 1.373 -2.131 2.756
396 HG12 VAL 57 2HG1 VAL 57 1.812 -0.943 1.529
397 HG13 VAL 57 3HG1 VAL 57 1.434 -0.419 3.170
398 HG21 VAL 57 3HG2 VAL 57 3.598 0.395 1.725
399 HG22 VAL 57 1HG2 VAL 57 5.103 -0.380 2.209
400 HG23 VAL 57 2HG2 VAL 57 4.197 0.587 3.371
401 H ILE 58 H ILE 58 1.888 -2.910 5.973
402 HA ILE 58 HA ILE 58 3.429 -5.387 5.829
403 HB ILE 58 HB ILE 58 0.962 -4.858 7.487
404 HG12 ILE 58 2HG1 ILE 58 2.744 -3.240 8.042
405 HG13 ILE 58 1HG1 ILE 58 2.466 -4.379 9.355
406 HG21 ILE 58 1HG2 ILE 58 3.062 -7.008 7.486
407 HG22 ILE 58 2HG2 ILE 58 1.313 -7.176 7.334
408 HG23 ILE 58 3HG2 ILE 58 2.023 -6.707 8.879
409 HD11 ILE 58 3HD1 ILE 58 4.436 -5.659 8.620
410 HD12 ILE 58 1HD1 ILE 58 4.825 -3.998 9.073
411 HD13 ILE 58 2HD1 ILE 58 4.728 -4.448 7.370
412 H TYR 59 H TYR 59 2.780 -7.186 4.792
413 HA TYR 59 HA TYR 59 0.037 -7.546 3.938
414 HB2 TYR 59 2HB TYR 59 0.783 -7.863 1.516
415 HB3 TYR 59 1HB TYR 59 0.723 -6.201 2.097
416 HD1 TYR 59 1HD TYR 59 2.843 -5.044 2.719
417 HD2 TYR 59 2HD TYR 59 2.832 -8.825 0.766
418 HE1 TYR 59 1HE TYR 59 5.198 -4.726 2.106
419 HE2 TYR 59 2HE TYR 59 5.190 -8.514 0.143
420 HH TYR 59 HH TYR 59 7.217 -6.715 1.485
421 H ASP 60 H ASP 60 0.029 -9.622 2.387
422 HA ASP 60 HA ASP 60 1.464 -11.665 3.892
423 HB2 ASP 60 2HB ASP 60 -1.066 -11.721 3.319
424 HB3 ASP 60 1HB ASP 60 -0.537 -12.227 1.716
425 H LYS 61 H LYS 61 3.542 -11.607 3.106
426 HA LYS 61 HA LYS 61 4.313 -11.377 0.433
427 HB2 LYS 61 2HB LYS 61 5.616 -12.438 2.895
428 HB3 LYS 61 1HB LYS 61 6.366 -12.789 1.343
429 HG2 LYS 61 2HG LYS 61 5.990 -10.167 1.036
430 HG3 LYS 61 1HG LYS 61 6.113 -10.228 2.796
431 HD2 LYS 61 2HD LYS 61 8.301 -10.866 2.756
432 HD3 LYS 61 1HD LYS 61 8.132 -11.742 1.233
433 HE2 LYS 61 2HE LYS 61 7.879 -8.768 1.250
434 HE3 LYS 61 1HE LYS 61 9.481 -9.496 1.343
435 HZ1 LYS 61 3HZ LYS 61 8.863 -10.777 -0.697
436 HZ2 LYS 61 1HZ LYS 61 9.011 -9.107 -0.928
437 HZ3 LYS 61 2HZ LYS 61 7.479 -9.815 -0.823
438 H ASP 62 H ASP 62 3.218 -14.174 2.245
439 HA ASP 62 HA ASP 62 4.111 -16.170 0.457
440 HB2 ASP 62 2HB ASP 62 2.098 -16.029 2.653
441 HB3 ASP 62 1HB ASP 62 1.986 -17.380 1.528
442 H GLN 63 H GLN 63 1.233 -14.137 0.535
443 HA GLN 63 HA GLN 63 0.002 -15.556 -1.673
444 HB2 GLN 63 2HB GLN 63 -0.767 -13.324 0.133
445 HB3 GLN 63 1HB GLN 63 -1.516 -13.359 -1.460
446 HG2 GLN 63 2HG GLN 63 -1.850 -15.927 -0.711
447 HG3 GLN 63 1HG GLN 63 -1.902 -15.127 0.857
448 HE21 GLN 63 1HE2 GLN 63 -3.288 -13.010 0.736
449 HE22 GLN 63 2HE2 GLN 63 -4.840 -13.214 0.005
450 H PHE 64 H PHE 64 1.786 -12.566 -1.130
451 HA PHE 64 HA PHE 64 1.360 -11.358 -3.630
452 HB2 PHE 64 2HB PHE 64 3.372 -11.063 -1.455
453 HB3 PHE 64 1HB PHE 64 3.774 -10.381 -3.028
454 HD1 PHE 64 1HD PHE 64 0.746 -10.527 -0.840
455 HD2 PHE 64 2HD PHE 64 3.347 -8.144 -3.221
456 HE1 PHE 64 1HE PHE 64 -0.609 -8.541 -0.326
457 HE2 PHE 64 2HE PHE 64 1.996 -6.152 -2.710
458 HZ PHE 64 HZ PHE 64 0.016 -6.348 -1.260
459 H VAL 65 H VAL 65 4.284 -13.136 -2.551
460 HA VAL 65 HA VAL 65 4.797 -13.775 -5.380
461 HB VAL 65 HB VAL 65 6.549 -12.386 -4.400
462 HG11 VAL 65 1HG1 VAL 65 6.152 -13.807 -2.083
463 HG12 VAL 65 2HG1 VAL 65 7.476 -12.685 -2.394
464 HG13 VAL 65 3HG1 VAL 65 7.704 -14.412 -2.659
465 HG21 VAL 65 3HG2 VAL 65 7.712 -13.503 -5.948
466 HG22 VAL 65 1HG2 VAL 65 6.997 -15.051 -5.497
467 HG23 VAL 65 2HG2 VAL 65 8.381 -14.425 -4.602
468 H SER 66 H SER 66 3.707 -15.665 -5.574
469 HA SER 66 HA SER 66 4.841 -17.953 -4.136
470 HB2 SER 66 2HB SER 66 2.438 -16.968 -3.372
471 HB3 SER 66 1HB SER 66 1.926 -18.085 -4.635
472 HG SER 66 HG SER 66 2.994 -19.746 -3.537
473 H GLY 67 H GLY 67 5.259 -16.941 -6.840
474 HA2 GLY 67 2HA GLY 67 3.787 -18.763 -8.564
475 HA3 GLY 67 1HA GLY 67 4.963 -17.563 -9.078
476 H GLU 68 H GLU 68 7.145 -18.093 -9.140
477 HA GLU 68 HA GLU 68 7.692 -20.978 -8.992
478 HB2 GLU 68 2HB GLU 68 8.673 -18.778 -10.738
479 HB3 GLU 68 1HB GLU 68 9.797 -20.075 -10.361
480 HG2 GLU 68 2HG GLU 68 8.872 -20.883 -12.272
481 HG3 GLU 68 1HG GLU 68 7.791 -21.601 -11.079
482 H THR 69 H THR 69 7.988 -20.795 -6.673
483 HA THR 69 HA THR 69 10.415 -19.391 -5.838
484 HB THR 69 HB THR 69 8.538 -18.949 -4.421
485 HG1 THR 69 1HG THR 69 10.494 -19.287 -3.311
486 HG21 THR 69 3HG2 THR 69 6.892 -20.435 -4.323
487 HG22 THR 69 1HG2 THR 69 7.850 -21.234 -3.077
488 HG23 THR 69 2HG2 THR 69 7.951 -21.776 -4.752
489 H VAL 70 H VAL 70 12.106 -20.626 -6.490
490 HA VAL 70 HA VAL 70 12.392 -23.237 -5.195
491 HB VAL 70 HB VAL 70 11.633 -23.681 -7.489
492 HG11 VAL 70 1HG1 VAL 70 12.618 -22.878 -9.397
493 HG12 VAL 70 2HG1 VAL 70 14.177 -22.615 -8.615
494 HG13 VAL 70 3HG1 VAL 70 12.842 -21.504 -8.313
495 HG21 VAL 70 3HG2 VAL 70 13.038 -25.340 -6.515
496 HG22 VAL 70 1HG2 VAL 70 14.492 -24.414 -6.890
497 HG23 VAL 70 2HG2 VAL 70 13.545 -25.134 -8.191
498 HA PRO 71 HA PRO 71 16.340 -21.653 -3.932
499 HB2 PRO 71 2HB PRO 71 17.233 -24.475 -4.266
500 HB3 PRO 71 1HB PRO 71 17.373 -23.409 -2.864
501 HG2 PRO 71 2HG PRO 71 15.572 -25.369 -2.904
502 HG3 PRO 71 1HG PRO 71 15.189 -23.793 -2.189
503 HD2 PRO 71 2HD PRO 71 14.352 -24.935 -4.818
504 HD3 PRO 71 1HD PRO 71 13.444 -23.907 -3.690
505 H ALA 72 H ALA 72 18.132 -20.890 -4.923
506 HA ALA 72 HA ALA 72 19.760 -20.516 -6.466
507 HB1 ALA 72 1HB ALA 72 20.778 -22.276 -7.471
508 HB2 ALA 72 2HB ALA 72 19.260 -22.979 -8.027
509 HB3 ALA 72 3HB ALA 72 19.765 -23.190 -6.351
510 HA PRO 73 HA PRO 73 17.639 -18.730 -9.899
511 HB2 PRO 73 2HB PRO 73 19.572 -18.509 -11.781
512 HB3 PRO 73 1HB PRO 73 19.545 -17.512 -10.321
513 HG2 PRO 73 2HG PRO 73 21.136 -19.983 -10.900
514 HG3 PRO 73 1HG PRO 73 21.656 -18.475 -10.124
515 HD2 PRO 73 2HD PRO 73 21.029 -20.710 -8.720
516 HD3 PRO 73 1HD PRO 73 20.767 -19.073 -8.084
517 H SER 74 H SER 74 16.731 -19.108 -11.960
518 HA SER 74 HA SER 74 16.925 -21.907 -12.844
519 HB2 SER 74 2HB SER 74 14.687 -19.926 -12.775
520 HB3 SER 74 1HB SER 74 14.676 -21.166 -14.030
521 HG SER 74 HG SER 74 14.867 -21.638 -11.234
522 H ALA 75 H ALA 75 16.667 -18.573 -14.080
523 HA ALA 75 HA ALA 75 17.440 -19.497 -16.745
524 HB1 ALA 75 1HB ALA 75 16.480 -17.620 -17.597
525 HB2 ALA 75 2HB ALA 75 16.944 -16.620 -16.221
526 HB3 ALA 75 3HB ALA 75 15.570 -17.718 -16.090
527 H ASN 76 H ASN 76 19.340 -18.991 -17.726
528 HA ASN 76 HA ASN 76 21.389 -17.738 -16.036
529 HB2 ASN 76 2HB ASN 76 21.478 -19.798 -18.203
530 HB3 ASN 76 1HB ASN 76 22.900 -18.796 -17.925
531 HD21 ASN 76 1HD2 ASN 76 20.581 -20.882 -16.244
532 HD22 ASN 76 2HD2 ASN 76 21.708 -21.487 -15.083
533 H LYS 77 H LYS 77 19.862 -17.554 -19.204
534 HA LYS 77 HA LYS 77 20.661 -14.810 -19.491
535 HB2 LYS 77 2HB LYS 77 22.495 -16.570 -20.448
536 HB3 LYS 77 1HB LYS 77 21.479 -16.367 -21.869
537 HG2 LYS 77 2HG LYS 77 21.812 -13.952 -21.771
538 HG3 LYS 77 1HG LYS 77 22.817 -14.146 -20.335
539 HD2 LYS 77 2HD LYS 77 24.454 -14.074 -21.918
540 HD3 LYS 77 1HD LYS 77 24.126 -15.807 -21.934
541 HE2 LYS 77 2HE LYS 77 22.734 -15.590 -23.872
542 HE3 LYS 77 1HE LYS 77 22.813 -13.830 -23.790
543 HZ1 LYS 77 3HZ LYS 77 25.045 -13.837 -24.449
544 HZ2 LYS 77 1HZ LYS 77 24.302 -14.962 -25.469
545 HZ3 LYS 77 2HZ LYS 77 25.234 -15.493 -24.161
546 H GLU 78 H GLU 78 18.791 -13.917 -20.083
547 HA GLU 78 HA GLU 78 17.307 -15.109 -22.318
548 HB2 GLU 78 2HB GLU 78 16.284 -14.504 -19.577
549 HB3 GLU 78 1HB GLU 78 15.213 -14.242 -20.947
550 HG2 GLU 78 2HG GLU 78 16.057 -16.700 -21.547
551 HG3 GLU 78 1HG GLU 78 16.244 -16.758 -19.795
552 H LEU 79 H LEU 79 17.687 -13.583 -23.827
553 HA LEU 79 HA LEU 79 16.340 -11.110 -23.723
554 HB2 LEU 79 2HB LEU 79 18.270 -9.584 -23.806
555 HB3 LEU 79 1HB LEU 79 18.125 -10.396 -22.260
556 HG LEU 79 HG LEU 79 20.001 -11.395 -24.391
557 HD11 LEU 79 1HD1 LEU 79 20.957 -9.340 -24.164
558 HD12 LEU 79 2HD1 LEU 79 21.701 -10.161 -22.793
559 HD13 LEU 79 3HD1 LEU 79 20.319 -9.095 -22.538
560 HD21 LEU 79 3HD2 LEU 79 19.523 -11.924 -21.503
561 HD22 LEU 79 1HD2 LEU 79 21.169 -12.058 -22.124
562 HD23 LEU 79 2HD2 LEU 79 19.882 -13.047 -22.814
563 H VAL 80 H VAL 80 15.872 -10.543 -25.748
564 HA VAL 80 HA VAL 80 16.877 -12.042 -27.944
565 HB VAL 80 HB VAL 80 14.579 -11.165 -27.919
566 HG11 VAL 80 1HG1 VAL 80 15.597 -8.842 -27.006
567 HG12 VAL 80 2HG1 VAL 80 14.006 -8.991 -27.750
568 HG13 VAL 80 3HG1 VAL 80 15.380 -8.442 -28.709
569 HG21 VAL 80 3HG2 VAL 80 14.955 -9.868 -30.279
570 HG22 VAL 80 1HG2 VAL 80 14.944 -11.621 -30.087
571 HG23 VAL 80 2HG2 VAL 80 16.475 -10.748 -30.121
572 H LYS 81 H LYS 81 18.745 -11.761 -28.943
573 HA LYS 81 HA LYS 81 19.947 -9.071 -28.981
574 HB2 LYS 81 2HB LYS 81 21.236 -11.803 -29.006
575 HB3 LYS 81 1HB LYS 81 22.119 -10.312 -29.306
576 HG2 LYS 81 2HG LYS 81 21.861 -9.570 -27.115
577 HG3 LYS 81 1HG LYS 81 20.516 -10.668 -26.802
578 HD2 LYS 81 2HD LYS 81 22.152 -11.817 -25.717
579 HD3 LYS 81 1HD LYS 81 22.389 -12.483 -27.334
580 HE2 LYS 81 2HE LYS 81 23.952 -10.285 -27.479
581 HE3 LYS 81 1HE LYS 81 24.092 -10.658 -25.761
582 HZ1 LYS 81 3HZ LYS 81 25.731 -11.989 -26.508
583 HZ2 LYS 81 1HZ LYS 81 25.087 -12.122 -28.067
584 HZ3 LYS 81 2HZ LYS 81 24.466 -13.069 -26.811
585 H LEU 82 H LEU 82 19.424 -8.173 -30.883
586 HA LEU 82 HA LEU 82 19.207 -9.716 -33.311
587 HB2 LEU 82 2HB LEU 82 18.764 -6.868 -32.539
588 HB3 LEU 82 1HB LEU 82 19.033 -7.232 -34.232
589 HG LEU 82 HG LEU 82 16.663 -7.124 -33.790
590 HD11 LEU 82 1HD1 LEU 82 17.818 -9.007 -35.242
591 HD12 LEU 82 2HD1 LEU 82 16.072 -8.964 -34.997
592 HD13 LEU 82 3HD1 LEU 82 17.069 -10.056 -34.037
593 HD21 LEU 82 3HD2 LEU 82 16.531 -7.584 -31.467
594 HD22 LEU 82 1HD2 LEU 82 17.251 -9.181 -31.671
595 HD23 LEU 82 2HD2 LEU 82 15.630 -8.859 -32.286
596 H GLU 83 H GLU 83 20.552 -9.655 -35.097
597 HA GLU 83 HA GLU 83 23.081 -8.181 -34.835
598 HB2 GLU 83 2HB GLU 83 22.751 -11.116 -35.450
599 HB3 GLU 83 1HB GLU 83 24.218 -10.228 -35.834
600 HG2 GLU 83 2HG GLU 83 24.690 -9.823 -33.563
601 HG3 GLU 83 1HG GLU 83 23.077 -10.320 -33.060
602 H HIS 84 H HIS 84 23.320 -6.899 -36.534
603 HA HIS 84 HA HIS 84 23.241 -6.036 -38.632
604 HB2 HIS 84 2HB HIS 84 24.356 -8.403 -38.991
605 HB3 HIS 84 1HB HIS 84 22.851 -8.748 -39.834
606 HD1 HIS 84 1HD HIS 84 22.406 -7.454 -42.046
607 HD2 HIS 84 2HD HIS 84 26.101 -6.669 -40.311
608 HE1 HIS 84 1HE HIS 84 23.745 -6.278 -43.820
609 HE2 HIS 84 2HE HIS 84 25.949 -5.744 -42.722
Start of MODEL 14
1 H1 MET 1 1HT MET 1 14.277 11.063 12.011
2 H2 MET 1 2HT MET 1 13.480 11.649 13.413
3 H3 MET 1 3HT MET 1 12.614 10.723 12.254
4 HA MET 1 HA MET 1 14.816 9.808 13.985
5 HB2 MET 1 2HB MET 1 11.842 9.653 14.043
6 HB3 MET 1 1HB MET 1 12.726 8.221 14.549
7 HG2 MET 1 2HG MET 1 13.588 10.798 15.711
8 HG3 MET 1 1HG MET 1 12.022 10.170 16.223
9 HE1 MET 1 2HE MET 1 15.836 9.984 16.610
10 HE2 MET 1 3HE MET 1 15.777 9.253 18.213
11 HE3 MET 1 1HE MET 1 14.851 10.716 17.876
12 H ALA 2 H ALA 2 15.363 7.579 13.759
13 HA ALA 2 HA ALA 2 14.935 6.581 11.032
14 HB1 ALA 2 1HB ALA 2 17.271 6.977 12.078
15 HB2 ALA 2 2HB ALA 2 16.984 5.500 11.158
16 HB3 ALA 2 3HB ALA 2 16.969 5.457 12.922
17 H VAL 3 H VAL 3 12.892 6.279 13.069
18 HA VAL 3 HA VAL 3 12.864 3.341 13.316
19 HB VAL 3 HB VAL 3 11.269 3.697 15.242
20 HG11 VAL 3 1HG1 VAL 3 13.812 4.973 16.062
21 HG12 VAL 3 2HG1 VAL 3 13.922 3.408 15.258
22 HG13 VAL 3 3HG1 VAL 3 12.970 3.575 16.733
23 HG21 VAL 3 3HG2 VAL 3 10.859 5.750 16.163
24 HG22 VAL 3 1HG2 VAL 3 11.018 6.212 14.469
25 HG23 VAL 3 2HG2 VAL 3 12.371 6.442 15.576
26 H PHE 4 H PHE 4 11.875 5.145 11.124
27 HA PHE 4 HA PHE 4 10.112 5.311 9.709
28 HB2 PHE 4 2HB PHE 4 9.884 2.717 11.003
29 HB3 PHE 4 1HB PHE 4 8.325 3.330 10.478
30 HD1 PHE 4 2HD PHE 4 11.752 3.494 8.995
31 HD2 PHE 4 1HD PHE 4 7.697 2.285 8.545
32 HE1 PHE 4 2HE PHE 4 12.236 2.735 6.703
33 HE2 PHE 4 1HE PHE 4 8.175 1.522 6.256
34 HZ PHE 4 HZ PHE 4 10.444 1.748 5.332
35 H HIS 5 H HIS 5 7.531 5.327 9.721
36 HA HIS 5 HA HIS 5 6.807 7.145 11.896
37 HB2 HIS 5 2HB HIS 5 6.502 7.879 9.528
38 HB3 HIS 5 1HB HIS 5 5.326 6.587 9.318
39 HD1 HIS 5 1HD HIS 5 5.775 9.932 10.910
40 HD2 HIS 5 2HD HIS 5 2.821 7.044 10.478
41 HE1 HIS 5 1HE HIS 5 3.645 11.034 11.659
42 HE2 HIS 5 2HE HIS 5 1.894 9.228 11.508
43 H ASP 6 H ASP 6 5.153 4.601 10.011
44 HA ASP 6 HA ASP 6 4.332 3.152 12.317
45 HB2 ASP 6 2HB ASP 6 2.510 5.215 11.224
46 HB3 ASP 6 1HB ASP 6 1.783 3.637 11.502
47 H GLU 7 H GLU 7 3.484 1.142 11.792
48 HA GLU 7 HA GLU 7 3.691 0.419 8.968
49 HB2 GLU 7 2HB GLU 7 3.249 -1.477 11.275
50 HB3 GLU 7 1HB GLU 7 3.876 -1.846 9.677
51 HG2 GLU 7 2HG GLU 7 5.886 -1.749 10.615
52 HG3 GLU 7 1HG GLU 7 5.674 0.001 10.606
53 H VAL 8 H VAL 8 1.954 0.146 7.726
54 HA VAL 8 HA VAL 8 -0.647 -0.340 9.031
55 HB VAL 8 HB VAL 8 -0.229 1.215 6.474
56 HG11 VAL 8 1HG1 VAL 8 -2.630 0.526 8.133
57 HG12 VAL 8 2HG1 VAL 8 -2.378 0.308 6.401
58 HG13 VAL 8 3HG1 VAL 8 -2.624 1.924 7.060
59 HG21 VAL 8 3HG2 VAL 8 0.450 2.144 8.932
60 HG22 VAL 8 1HG2 VAL 8 -1.245 2.622 8.848
61 HG23 VAL 8 2HG2 VAL 8 -0.114 3.158 7.605
62 H GLU 9 H GLU 9 -2.002 -1.837 8.138
63 HA GLU 9 HA GLU 9 -0.842 -3.876 6.532
64 HB2 GLU 9 2HB GLU 9 -3.754 -3.474 7.247
65 HB3 GLU 9 1HB GLU 9 -3.028 -4.956 6.641
66 HG2 GLU 9 2HG GLU 9 -2.186 -5.524 8.647
67 HG3 GLU 9 1HG GLU 9 -1.812 -3.859 9.085
68 H ILE 10 H ILE 10 -1.124 -4.399 4.420
69 HA ILE 10 HA ILE 10 -1.573 -2.393 2.545
70 HB ILE 10 HB ILE 10 -0.299 -4.480 2.129
71 HG12 ILE 10 2HG1 ILE 10 -1.659 -4.865 -0.198
72 HG13 ILE 10 1HG1 ILE 10 -2.290 -3.300 0.302
73 HG21 ILE 10 1HG2 ILE 10 -3.041 -5.719 1.985
74 HG22 ILE 10 2HG2 ILE 10 -1.727 -6.136 3.085
75 HG23 ILE 10 3HG2 ILE 10 -1.577 -6.480 1.361
76 HD11 ILE 10 3HD1 ILE 10 -0.347 -2.246 -0.086
77 HD12 ILE 10 1HD1 ILE 10 -0.070 -3.620 -1.155
78 HD13 ILE 10 2HD1 ILE 10 0.628 -3.608 0.464
79 H GLU 11 H GLU 11 -3.849 -4.609 4.036
80 HA GLU 11 HA GLU 11 -5.962 -4.419 2.205
81 HB2 GLU 11 2HB GLU 11 -5.786 -5.013 5.132
82 HB3 GLU 11 1HB GLU 11 -7.367 -4.761 4.404
83 HG2 GLU 11 2HG GLU 11 -6.464 -6.512 2.657
84 HG3 GLU 11 1HG GLU 11 -5.416 -6.964 4.000
85 H ASP 12 H ASP 12 -4.900 -2.251 4.758
86 HA ASP 12 HA ASP 12 -7.205 -0.564 4.712
87 HB2 ASP 12 2HB ASP 12 -5.243 -0.851 6.493
88 HB3 ASP 12 1HB ASP 12 -4.555 0.491 5.585
89 H PHE 13 H PHE 13 -4.133 -0.630 3.012
90 HA PHE 13 HA PHE 13 -4.110 1.952 1.942
91 HB2 PHE 13 2HB PHE 13 -2.859 -0.648 1.243
92 HB3 PHE 13 1HB PHE 13 -2.904 0.568 -0.025
93 HD1 PHE 13 2HD PHE 13 -2.025 0.298 3.599
94 HD2 PHE 13 1HD PHE 13 -1.118 1.978 -0.206
95 HE1 PHE 13 2HE PHE 13 -0.016 1.356 4.545
96 HE2 PHE 13 1HE PHE 13 0.891 3.034 0.732
97 HZ PHE 13 HZ PHE 13 1.446 2.724 3.111
98 H GLN 14 H GLN 14 -4.517 2.623 -0.281
99 HA GLN 14 HA GLN 14 -7.041 1.517 -1.273
100 HB2 GLN 14 2HB GLN 14 -6.324 4.102 -0.842
101 HB3 GLN 14 1HB GLN 14 -5.904 3.939 -2.541
102 HG2 GLN 14 2HG GLN 14 -8.571 2.966 -1.691
103 HG3 GLN 14 1HG GLN 14 -8.306 4.706 -1.742
104 HE21 GLN 14 1HE2 GLN 14 -8.975 5.572 -3.569
105 HE22 GLN 14 2HE2 GLN 14 -8.891 4.846 -5.134
106 H TYR 15 H TYR 15 -6.222 -0.333 -2.327
107 HA TYR 15 HA TYR 15 -4.135 -0.152 -4.264
108 HB2 TYR 15 2HB TYR 15 -4.517 -2.272 -3.176
109 HB3 TYR 15 1HB TYR 15 -6.182 -2.316 -3.744
110 HD1 TYR 15 1HD TYR 15 -2.663 -2.307 -4.958
111 HD2 TYR 15 2HD TYR 15 -6.705 -3.348 -5.780
112 HE1 TYR 15 1HE TYR 15 -1.936 -3.501 -6.977
113 HE2 TYR 15 2HE TYR 15 -5.990 -4.548 -7.804
114 HH TYR 15 HH TYR 15 -2.787 -5.362 -8.427
115 H ASP 16 H ASP 16 -4.278 -0.338 -6.518
116 HA ASP 16 HA ASP 16 -6.904 0.265 -7.690
117 HB2 ASP 16 2HB ASP 16 -5.160 2.235 -7.433
118 HB3 ASP 16 1HB ASP 16 -4.450 1.506 -8.870
119 H GLU 17 H GLU 17 -7.393 -0.848 -9.509
120 HA GLU 17 HA GLU 17 -5.562 -2.935 -10.336
121 HB2 GLU 17 2HB GLU 17 -7.475 -3.558 -11.897
122 HB3 GLU 17 1HB GLU 17 -7.796 -3.679 -10.173
123 HG2 GLU 17 2HG GLU 17 -9.391 -2.110 -10.234
124 HG3 GLU 17 1HG GLU 17 -8.489 -1.088 -11.351
125 H ASP 18 H ASP 18 -6.785 0.107 -11.558
126 HA ASP 18 HA ASP 18 -5.743 -0.254 -14.217
127 HB2 ASP 18 2HB ASP 18 -7.730 1.169 -13.721
128 HB3 ASP 18 1HB ASP 18 -6.677 2.285 -12.860
129 H SER 19 H SER 19 -4.692 1.265 -11.225
130 HA SER 19 HA SER 19 -2.289 2.326 -12.507
131 HB2 SER 19 2HB SER 19 -3.775 3.586 -10.770
132 HB3 SER 19 1HB SER 19 -2.905 2.615 -9.582
133 HG SER 19 HG SER 19 -1.976 4.651 -11.252
134 H GLU 20 H GLU 20 -3.286 -0.210 -10.302
135 HA GLU 20 HA GLU 20 -2.181 -1.959 -9.361
136 HB2 GLU 20 2HB GLU 20 0.119 -1.371 -11.221
137 HB3 GLU 20 1HB GLU 20 -0.341 -2.917 -10.523
138 HG2 GLU 20 2HG GLU 20 -2.549 -2.527 -11.871
139 HG3 GLU 20 1HG GLU 20 -1.532 -1.439 -12.817
140 H THR 21 H THR 21 -1.973 0.529 -8.099
141 HA THR 21 HA THR 21 0.537 0.177 -6.640
142 HB THR 21 HB THR 21 -0.447 2.871 -7.623
143 HG1 THR 21 1HG THR 21 0.729 2.497 -9.295
144 HG21 THR 21 3HG2 THR 21 0.917 2.634 -5.390
145 HG22 THR 21 1HG2 THR 21 1.269 3.911 -6.554
146 HG23 THR 21 2HG2 THR 21 2.271 2.462 -6.507
147 H TYR 22 H TYR 22 0.419 0.757 -4.453
148 HA TYR 22 HA TYR 22 -2.310 1.119 -3.442
149 HB2 TYR 22 2HB TYR 22 0.201 0.290 -1.966
150 HB3 TYR 22 1HB TYR 22 -1.419 0.354 -1.284
151 HD1 TYR 22 1HD TYR 22 0.703 -1.388 -3.772
152 HD2 TYR 22 2HD TYR 22 -2.931 -1.448 -1.556
153 HE1 TYR 22 1HE TYR 22 0.328 -3.715 -4.462
154 HE2 TYR 22 2HE TYR 22 -3.313 -3.780 -2.240
155 HH TYR 22 HH TYR 22 -2.339 -5.211 -4.522
156 H PHE 23 H PHE 23 -2.902 2.806 -2.126
157 HA PHE 23 HA PHE 23 -0.865 4.871 -1.602
158 HB2 PHE 23 2HB PHE 23 -3.716 5.389 -2.477
159 HB3 PHE 23 1HB PHE 23 -2.490 6.608 -2.141
160 HD1 PHE 23 2HD PHE 23 -3.545 3.972 -4.481
161 HD2 PHE 23 1HD PHE 23 -0.799 7.141 -3.740
162 HE1 PHE 23 2HE PHE 23 -2.828 3.893 -6.834
163 HE2 PHE 23 1HE PHE 23 -0.078 7.069 -6.090
164 HZ PHE 23 HZ PHE 23 -1.090 5.445 -7.641
165 H TYR 24 H TYR 24 -1.322 6.303 0.191
166 HA TYR 24 HA TYR 24 -3.420 5.501 2.045
167 HB2 TYR 24 2HB TYR 24 -1.301 4.108 2.465
168 HB3 TYR 24 1HB TYR 24 -0.579 5.604 3.044
169 HD1 TYR 24 1HD TYR 24 -3.468 3.324 3.591
170 HD2 TYR 24 2HD TYR 24 -0.914 6.293 5.257
171 HE1 TYR 24 1HE TYR 24 -4.478 2.945 5.798
172 HE2 TYR 24 2HE TYR 24 -1.915 5.919 7.472
173 HH TYR 24 HH TYR 24 -3.839 3.259 8.202
174 HA PRO 25 HA PRO 25 -3.452 9.904 2.645
175 HB2 PRO 25 2HB PRO 25 -4.853 9.990 4.987
176 HB3 PRO 25 1HB PRO 25 -5.601 9.725 3.407
177 HG2 PRO 25 2HG PRO 25 -4.839 7.726 5.503
178 HG3 PRO 25 1HG PRO 25 -6.312 7.810 4.518
179 HD2 PRO 25 2HD PRO 25 -4.303 6.114 3.936
180 HD3 PRO 25 1HD PRO 25 -5.280 6.885 2.668
181 H CYS 26 H CYS 26 -1.958 11.235 3.430
182 HA CYS 26 HA CYS 26 -0.322 10.359 5.689
183 HB2 CYS 26 2HB CYS 26 0.463 11.319 3.307
184 HB3 CYS 26 1HB CYS 26 0.349 12.837 4.193
185 HA PRO 27 HA PRO 27 -2.141 13.112 8.627
186 HB2 PRO 27 2HB PRO 27 0.642 13.664 9.515
187 HB3 PRO 27 1HB PRO 27 -0.743 13.082 10.446
188 HG2 PRO 27 2HG PRO 27 1.231 11.431 9.771
189 HG3 PRO 27 1HG PRO 27 -0.457 10.889 9.748
190 HD2 PRO 27 2HD PRO 27 1.321 11.654 7.468
191 HD3 PRO 27 1HD PRO 27 0.112 10.356 7.572
192 H CYS 28 H CYS 28 0.523 14.202 6.604
193 HA CYS 28 HA CYS 28 0.268 16.969 7.289
194 HB2 CYS 28 2HB CYS 28 1.821 17.370 5.449
195 HB3 CYS 28 1HB CYS 28 2.380 16.029 6.440
196 H GLY 29 H GLY 29 -0.935 14.926 4.646
197 HA2 GLY 29 2HA GLY 29 -3.313 16.046 4.139
198 HA3 GLY 29 1HA GLY 29 -2.233 17.187 3.354
199 H ASP 30 H ASP 30 -0.329 15.512 2.286
200 HA ASP 30 HA ASP 30 -1.672 14.526 -0.030
201 HB2 ASP 30 2HB ASP 30 0.843 15.440 0.467
202 HB3 ASP 30 1HB ASP 30 1.136 13.705 0.422
203 H ASN 31 H ASN 31 -0.702 12.217 -0.842
204 HA ASN 31 HA ASN 31 -1.168 10.292 1.339
205 HB2 ASN 31 2HB ASN 31 -2.169 9.912 -1.488
206 HB3 ASN 31 1HB ASN 31 -2.516 8.909 -0.085
207 HD21 ASN 31 1HD2 ASN 31 -4.128 10.623 -2.048
208 HD22 ASN 31 2HD2 ASN 31 -5.192 11.512 -1.017
209 H PHE 32 H PHE 32 0.122 8.523 1.394
210 HA PHE 32 HA PHE 32 2.579 8.539 -0.013
211 HB2 PHE 32 2HB PHE 32 1.215 6.451 1.692
212 HB3 PHE 32 1HB PHE 32 2.795 6.188 0.969
213 HD1 PHE 32 2HD PHE 32 4.605 7.978 1.519
214 HD2 PHE 32 1HD PHE 32 1.058 7.380 3.793
215 HE1 PHE 32 2HE PHE 32 5.674 9.042 3.462
216 HE2 PHE 32 1HE PHE 32 2.122 8.440 5.740
217 HZ PHE 32 HZ PHE 32 4.434 9.273 5.577
218 H SER 33 H SER 33 3.367 6.522 -1.230
219 HA SER 33 HA SER 33 1.329 5.138 -2.755
220 HB2 SER 33 2HB SER 33 2.459 5.818 -4.944
221 HB3 SER 33 1HB SER 33 1.463 7.044 -4.159
222 HG SER 33 HG SER 33 4.163 7.018 -4.639
223 H ILE 34 H ILE 34 1.982 3.189 -3.512
224 HA ILE 34 HA ILE 34 4.798 2.520 -3.710
225 HB ILE 34 HB ILE 34 4.390 2.052 -1.351
226 HG12 ILE 34 2HG1 ILE 34 4.509 -0.511 -2.959
227 HG13 ILE 34 1HG1 ILE 34 5.877 0.560 -2.667
228 HG21 ILE 34 1HG2 ILE 34 2.589 0.995 -0.503
229 HG22 ILE 34 2HG2 ILE 34 2.491 -0.145 -1.845
230 HG23 ILE 34 3HG2 ILE 34 1.841 1.485 -2.023
231 HD11 ILE 34 3HD1 ILE 34 6.064 -0.062 -0.472
232 HD12 ILE 34 1HD1 ILE 34 5.515 -1.565 -1.212
233 HD13 ILE 34 2HD1 ILE 34 4.370 -0.538 -0.348
234 H THR 35 H THR 35 5.062 1.303 -5.470
235 HA THR 35 HA THR 35 2.820 0.341 -6.945
236 HB THR 35 HB THR 35 4.731 -0.742 -8.349
237 HG1 THR 35 1HG THR 35 6.747 -0.087 -7.886
238 HG21 THR 35 3HG2 THR 35 5.448 2.002 -8.545
239 HG22 THR 35 1HG2 THR 35 3.706 1.883 -8.279
240 HG23 THR 35 2HG2 THR 35 4.453 1.033 -9.631
241 H LYS 36 H LYS 36 2.266 -1.798 -7.482
242 HA LYS 36 HA LYS 36 2.254 -3.647 -5.394
243 HB2 LYS 36 2HB LYS 36 0.615 -3.720 -7.191
244 HB3 LYS 36 1HB LYS 36 1.867 -4.103 -8.361
245 HG2 LYS 36 2HG LYS 36 0.758 -6.126 -7.917
246 HG3 LYS 36 1HG LYS 36 2.280 -6.218 -7.029
247 HD2 LYS 36 2HD LYS 36 1.135 -5.599 -4.971
248 HD3 LYS 36 1HD LYS 36 -0.386 -5.434 -5.850
249 HE2 LYS 36 2HE LYS 36 0.137 -7.914 -6.558
250 HE3 LYS 36 1HE LYS 36 1.120 -7.893 -5.095
251 HZ1 LYS 36 3HZ LYS 36 -0.895 -8.603 -4.300
252 HZ2 LYS 36 1HZ LYS 36 -1.796 -7.656 -5.377
253 HZ3 LYS 36 2HZ LYS 36 -1.040 -6.937 -4.045
254 H GLU 37 H GLU 37 4.474 -3.279 -8.105
255 HA GLU 37 HA GLU 37 5.882 -5.694 -7.853
256 HB2 GLU 37 2HB GLU 37 5.991 -3.928 -9.723
257 HB3 GLU 37 1HB GLU 37 7.161 -3.105 -8.701
258 HG2 GLU 37 2HG GLU 37 8.661 -4.329 -9.813
259 HG3 GLU 37 1HG GLU 37 8.170 -5.616 -8.715
260 H ASP 38 H ASP 38 6.313 -2.565 -6.242
261 HA ASP 38 HA ASP 38 8.773 -3.008 -5.008
262 HB2 ASP 38 2HB ASP 38 6.407 -1.292 -4.383
263 HB3 ASP 38 1HB ASP 38 7.633 -1.495 -3.136
264 H LEU 39 H LEU 39 5.502 -3.738 -3.816
265 HA LEU 39 HA LEU 39 6.283 -4.793 -1.334
266 HB2 LEU 39 2HB LEU 39 3.865 -5.508 -2.989
267 HB3 LEU 39 1HB LEU 39 4.067 -5.832 -1.277
268 HG LEU 39 HG LEU 39 4.292 -3.006 -2.177
269 HD11 LEU 39 1HD1 LEU 39 1.676 -4.476 -1.936
270 HD12 LEU 39 2HD1 LEU 39 2.354 -3.782 -3.408
271 HD13 LEU 39 3HD1 LEU 39 1.864 -2.729 -2.081
272 HD21 LEU 39 3HD2 LEU 39 3.305 -2.568 -0.025
273 HD22 LEU 39 1HD2 LEU 39 4.636 -3.707 0.175
274 HD23 LEU 39 2HD2 LEU 39 2.971 -4.283 0.213
275 H GLU 40 H GLU 40 5.795 -6.349 -4.487
276 HA GLU 40 HA GLU 40 6.244 -8.997 -3.561
277 HB2 GLU 40 2HB GLU 40 6.284 -7.706 -6.274
278 HB3 GLU 40 1HB GLU 40 6.749 -9.388 -6.066
279 HG2 GLU 40 2HG GLU 40 4.520 -9.748 -4.954
280 HG3 GLU 40 1HG GLU 40 4.083 -8.130 -5.499
281 H ASN 41 H ASN 41 8.378 -6.418 -4.602
282 HA ASN 41 HA ASN 41 10.685 -8.138 -4.851
283 HB2 ASN 41 2HB ASN 41 10.139 -5.228 -5.185
284 HB3 ASN 41 1HB ASN 41 11.797 -5.715 -4.851
285 HD21 ASN 41 1HD2 ASN 41 9.063 -6.457 -6.970
286 HD22 ASN 41 2HD2 ASN 41 10.018 -6.815 -8.365
287 H GLY 42 H GLY 42 9.434 -5.821 -2.471
288 HA2 GLY 42 2HA GLY 42 10.100 -6.767 -0.137
289 HA3 GLY 42 1HA GLY 42 11.715 -6.383 -0.712
290 H GLU 43 H GLU 43 10.207 -4.028 -2.178
291 HA GLU 43 HA GLU 43 10.893 -2.036 -0.279
292 HB2 GLU 43 2HB GLU 43 9.538 -1.997 -2.960
293 HB3 GLU 43 1HB GLU 43 9.627 -0.540 -1.984
294 HG2 GLU 43 2HG GLU 43 11.947 -2.152 -3.015
295 HG3 GLU 43 1HG GLU 43 11.406 -0.583 -3.606
296 H ASP 44 H ASP 44 9.592 -2.717 1.524
297 HA ASP 44 HA ASP 44 6.715 -2.259 1.308
298 HB2 ASP 44 2HB ASP 44 6.709 -3.109 3.706
299 HB3 ASP 44 1HB ASP 44 7.179 -4.265 2.468
300 H VAL 45 H VAL 45 8.309 0.009 0.998
301 HA VAL 45 HA VAL 45 7.565 1.532 3.400
302 HB VAL 45 HB VAL 45 9.996 1.251 3.420
303 HG11 VAL 45 1HG1 VAL 45 10.345 2.906 0.980
304 HG12 VAL 45 2HG1 VAL 45 9.969 1.198 0.770
305 HG13 VAL 45 3HG1 VAL 45 11.401 1.679 1.677
306 HG21 VAL 45 3HG2 VAL 45 10.618 3.601 3.597
307 HG22 VAL 45 1HG2 VAL 45 9.017 3.326 4.284
308 HG23 VAL 45 2HG2 VAL 45 9.177 4.063 2.690
309 H ALA 46 H ALA 46 6.573 3.463 3.058
310 HA ALA 46 HA ALA 46 6.163 4.258 0.248
311 HB1 ALA 46 1HB ALA 46 4.235 5.301 2.184
312 HB2 ALA 46 2HB ALA 46 4.240 3.541 2.058
313 HB3 ALA 46 3HB ALA 46 3.973 4.527 0.621
314 H THR 47 H THR 47 6.727 6.263 -0.368
315 HA THR 47 HA THR 47 7.644 8.123 1.726
316 HB THR 47 HB THR 47 8.565 8.118 -1.150
317 HG1 THR 47 1HG THR 47 9.632 6.731 1.077
318 HG21 THR 47 3HG2 THR 47 10.467 8.959 0.854
319 HG22 THR 47 1HG2 THR 47 9.008 9.949 0.876
320 HG23 THR 47 2HG2 THR 47 9.934 9.774 -0.615
321 H CYS 48 H CYS 48 6.781 10.109 1.839
322 HA CYS 48 HA CYS 48 4.611 10.766 0.012
323 HB2 CYS 48 2HB CYS 48 4.373 10.974 2.510
324 HB3 CYS 48 1HB CYS 48 5.530 12.298 2.454
325 HA PRO 49 HA PRO 49 7.218 13.573 -2.265
326 HB2 PRO 49 2HB PRO 49 5.338 14.708 -3.818
327 HB3 PRO 49 1HB PRO 49 5.864 13.036 -4.049
328 HG2 PRO 49 2HG PRO 49 3.416 14.082 -2.686
329 HG3 PRO 49 1HG PRO 49 3.583 12.695 -3.774
330 HD2 PRO 49 2HD PRO 49 3.465 12.491 -1.045
331 HD3 PRO 49 1HD PRO 49 4.270 11.304 -2.092
332 H SER 50 H SER 50 5.087 14.502 0.150
333 HA SER 50 HA SER 50 5.556 17.364 -0.314
334 HB2 SER 50 2HB SER 50 3.198 16.156 0.236
335 HB3 SER 50 1HB SER 50 3.736 16.538 1.872
336 HG SER 50 HG SER 50 3.726 18.665 1.395
337 H CYS 51 H CYS 51 5.251 15.229 2.550
338 HA CYS 51 HA CYS 51 7.146 16.904 3.982
339 HB2 CYS 51 2HB CYS 51 6.597 15.510 5.927
340 HB3 CYS 51 1HB CYS 51 5.148 16.149 5.159
341 H SER 52 H SER 52 7.154 13.886 2.280
342 HA SER 52 HA SER 52 8.828 12.447 1.746
343 HB2 SER 52 2HB SER 52 10.169 14.655 1.685
344 HB3 SER 52 1HB SER 52 10.795 14.160 3.256
345 HG SER 52 HG SER 52 11.104 12.895 0.753
346 H LEU 53 H LEU 53 7.247 11.904 3.934
347 HA LEU 53 HA LEU 53 8.967 11.003 6.099
348 HB2 LEU 53 2HB LEU 53 6.099 11.454 5.704
349 HB3 LEU 53 1HB LEU 53 6.454 9.990 6.599
350 HG LEU 53 HG LEU 53 7.731 11.290 8.245
351 HD11 LEU 53 1HD1 LEU 53 8.223 13.486 8.072
352 HD12 LEU 53 2HD1 LEU 53 6.715 13.873 7.245
353 HD13 LEU 53 3HD1 LEU 53 8.058 13.165 6.347
354 HD21 LEU 53 3HD2 LEU 53 4.922 12.229 7.695
355 HD22 LEU 53 1HD2 LEU 53 5.796 12.542 9.195
356 HD23 LEU 53 2HD2 LEU 53 5.422 10.885 8.722
357 H ILE 54 H ILE 54 8.184 8.678 6.950
358 HA ILE 54 HA ILE 54 8.163 6.827 4.661
359 HB ILE 54 HB ILE 54 9.722 5.345 5.980
360 HG12 ILE 54 2HG1 ILE 54 10.144 7.898 7.558
361 HG13 ILE 54 1HG1 ILE 54 9.454 6.401 8.175
362 HG21 ILE 54 1HG2 ILE 54 11.565 6.206 4.931
363 HG22 ILE 54 2HG2 ILE 54 11.182 7.868 5.379
364 HG23 ILE 54 3HG2 ILE 54 10.288 7.077 4.082
365 HD11 ILE 54 3HD1 ILE 54 11.687 5.333 7.529
366 HD12 ILE 54 1HD1 ILE 54 11.648 6.391 8.940
367 HD13 ILE 54 2HD1 ILE 54 12.286 6.988 7.407
368 H ILE 55 H ILE 55 7.042 4.916 4.952
369 HA ILE 55 HA ILE 55 5.922 4.322 7.583
370 HB ILE 55 HB ILE 55 3.652 3.977 6.659
371 HG12 ILE 55 2HG1 ILE 55 4.394 5.669 4.296
372 HG13 ILE 55 1HG1 ILE 55 4.622 3.924 4.226
373 HG21 ILE 55 1HG2 ILE 55 3.022 6.359 6.557
374 HG22 ILE 55 2HG2 ILE 55 4.730 6.781 6.447
375 HG23 ILE 55 3HG2 ILE 55 4.109 5.991 7.895
376 HD11 ILE 55 3HD1 ILE 55 2.498 4.574 3.253
377 HD12 ILE 55 1HD1 ILE 55 2.026 5.343 4.768
378 HD13 ILE 55 2HD1 ILE 55 2.252 3.596 4.701
379 H LYS 56 H LYS 56 5.353 2.157 7.887
380 HA LYS 56 HA LYS 56 6.548 0.333 5.952
381 HB2 LYS 56 2HB LYS 56 6.715 0.372 8.643
382 HB3 LYS 56 1HB LYS 56 5.348 -0.715 8.452
383 HG2 LYS 56 2HG LYS 56 7.823 -1.198 6.866
384 HG3 LYS 56 1HG LYS 56 7.778 -1.643 8.573
385 HD2 LYS 56 2HD LYS 56 6.078 -3.203 8.247
386 HD3 LYS 56 1HD LYS 56 5.593 -2.499 6.705
387 HE2 LYS 56 2HE LYS 56 7.153 -3.639 5.543
388 HE3 LYS 56 1HE LYS 56 8.361 -3.493 6.820
389 HZ1 LYS 56 3HZ LYS 56 6.912 -5.194 8.041
390 HZ2 LYS 56 1HZ LYS 56 7.875 -5.744 6.763
391 HZ3 LYS 56 2HZ LYS 56 6.218 -5.502 6.530
392 H VAL 57 H VAL 57 5.530 -1.119 4.782
393 HA VAL 57 HA VAL 57 2.595 -1.131 4.917
394 HB VAL 57 HB VAL 57 3.919 -2.173 2.477
395 HG11 VAL 57 1HG1 VAL 57 1.561 -0.411 3.093
396 HG12 VAL 57 2HG1 VAL 57 1.538 -2.098 2.576
397 HG13 VAL 57 3HG1 VAL 57 2.060 -0.839 1.457
398 HG21 VAL 57 3HG2 VAL 57 4.370 0.002 1.535
399 HG22 VAL 57 1HG2 VAL 57 5.290 -0.168 3.028
400 HG23 VAL 57 2HG2 VAL 57 3.819 0.800 3.007
401 H ILE 58 H ILE 58 1.793 -2.889 5.844
402 HA ILE 58 HA ILE 58 3.317 -5.383 5.818
403 HB ILE 58 HB ILE 58 0.723 -4.824 7.259
404 HG12 ILE 58 2HG1 ILE 58 2.503 -3.250 7.964
405 HG13 ILE 58 1HG1 ILE 58 2.049 -4.365 9.249
406 HG21 ILE 58 1HG2 ILE 58 2.825 -6.909 7.822
407 HG22 ILE 58 2HG2 ILE 58 1.371 -7.205 6.870
408 HG23 ILE 58 3HG2 ILE 58 1.236 -6.755 8.570
409 HD11 ILE 58 3HD1 ILE 58 4.034 -5.726 8.716
410 HD12 ILE 58 1HD1 ILE 58 4.433 -4.083 9.218
411 HD13 ILE 58 2HD1 ILE 58 4.499 -4.524 7.512
412 H TYR 59 H TYR 59 2.715 -7.189 4.738
413 HA TYR 59 HA TYR 59 0.054 -7.509 3.664
414 HB2 TYR 59 2HB TYR 59 0.937 -7.744 1.293
415 HB3 TYR 59 1HB TYR 59 0.883 -6.101 1.922
416 HD1 TYR 59 2HD TYR 59 3.019 -5.070 2.786
417 HD2 TYR 59 1HD TYR 59 2.978 -8.686 0.549
418 HE1 TYR 59 2HE TYR 59 5.412 -4.789 2.309
419 HE2 TYR 59 1HE TYR 59 5.374 -8.422 0.067
420 HH TYR 59 HH TYR 59 7.025 -5.646 0.376
421 H ASP 60 H ASP 60 0.095 -9.546 2.114
422 HA ASP 60 HA ASP 60 1.415 -11.646 3.631
423 HB2 ASP 60 2HB ASP 60 -1.055 -11.652 2.827
424 HB3 ASP 60 1HB ASP 60 -0.386 -12.102 1.263
425 H LYS 61 H LYS 61 3.566 -11.600 3.027
426 HA LYS 61 HA LYS 61 4.544 -11.296 0.419
427 HB2 LYS 61 2HB LYS 61 5.679 -12.509 2.915
428 HB3 LYS 61 1HB LYS 61 6.555 -12.646 1.396
429 HG2 LYS 61 2HG LYS 61 6.060 -10.016 1.373
430 HG3 LYS 61 1HG LYS 61 6.088 -10.294 3.115
431 HD2 LYS 61 2HD LYS 61 8.287 -11.611 2.556
432 HD3 LYS 61 1HD LYS 61 8.269 -10.612 1.101
433 HE2 LYS 61 2HE LYS 61 8.237 -8.600 2.432
434 HE3 LYS 61 1HE LYS 61 8.101 -9.543 3.915
435 HZ1 LYS 61 3HZ LYS 61 10.402 -8.630 3.026
436 HZ2 LYS 61 1HZ LYS 61 10.389 -10.103 2.192
437 HZ3 LYS 61 2HZ LYS 61 10.282 -10.085 3.879
438 H ASP 62 H ASP 62 3.362 -14.131 2.125
439 HA ASP 62 HA ASP 62 4.341 -16.086 0.333
440 HB2 ASP 62 2HB ASP 62 3.112 -16.223 2.730
441 HB3 ASP 62 1HB ASP 62 1.751 -16.609 1.681
442 H GLN 63 H GLN 63 1.537 -13.983 0.252
443 HA GLN 63 HA GLN 63 0.386 -15.412 -2.010
444 HB2 GLN 63 2HB GLN 63 -0.498 -13.211 -0.216
445 HB3 GLN 63 1HB GLN 63 -1.174 -13.253 -1.838
446 HG2 GLN 63 2HG GLN 63 -1.209 -15.828 -0.449
447 HG3 GLN 63 1HG GLN 63 -2.175 -14.570 0.318
448 HE21 GLN 63 1HE2 GLN 63 -2.849 -17.069 -1.217
449 HE22 GLN 63 2HE2 GLN 63 -3.971 -16.543 -2.421
450 H PHE 64 H PHE 64 2.181 -12.474 -1.321
451 HA PHE 64 HA PHE 64 1.829 -11.263 -3.868
452 HB2 PHE 64 2HB PHE 64 3.588 -10.802 -1.508
453 HB3 PHE 64 1HB PHE 64 4.097 -10.111 -3.044
454 HD1 PHE 64 2HD PHE 64 0.972 -10.384 -1.007
455 HD2 PHE 64 1HD PHE 64 3.459 -7.956 -3.462
456 HE1 PHE 64 2HE PHE 64 -0.542 -8.478 -0.647
457 HE2 PHE 64 1HE PHE 64 1.951 -6.047 -3.108
458 HZ PHE 64 HZ PHE 64 -0.052 -6.305 -1.700
459 H VAL 65 H VAL 65 4.787 -12.721 -2.465
460 HA VAL 65 HA VAL 65 5.591 -13.437 -5.204
461 HB VAL 65 HB VAL 65 7.098 -11.816 -4.189
462 HG11 VAL 65 1HG1 VAL 65 7.852 -11.881 -2.093
463 HG12 VAL 65 2HG1 VAL 65 8.297 -13.583 -2.213
464 HG13 VAL 65 3HG1 VAL 65 6.639 -13.131 -1.821
465 HG21 VAL 65 3HG2 VAL 65 9.229 -13.135 -4.389
466 HG22 VAL 65 1HG2 VAL 65 8.114 -13.298 -5.746
467 HG23 VAL 65 2HG2 VAL 65 8.235 -14.584 -4.544
468 H SER 66 H SER 66 4.763 -15.457 -5.392
469 HA SER 66 HA SER 66 6.159 -17.571 -4.016
470 HB2 SER 66 2HB SER 66 4.425 -17.267 -2.387
471 HB3 SER 66 1HB SER 66 3.184 -17.186 -3.637
472 HG SER 66 HG SER 66 3.037 -19.263 -3.462
473 H GLY 67 H GLY 67 6.865 -17.947 -6.163
474 HA2 GLY 67 2HA GLY 67 5.007 -19.611 -7.681
475 HA3 GLY 67 1HA GLY 67 5.670 -18.210 -8.512
476 H GLU 68 H GLU 68 8.156 -18.042 -8.250
477 HA GLU 68 HA GLU 68 9.251 -20.680 -8.936
478 HB2 GLU 68 2HB GLU 68 10.036 -17.870 -9.682
479 HB3 GLU 68 1HB GLU 68 11.172 -19.201 -9.853
480 HG2 GLU 68 2HG GLU 68 8.978 -20.217 -11.088
481 HG3 GLU 68 1HG GLU 68 8.830 -18.500 -11.462
482 H THR 69 H THR 69 8.862 -20.012 -6.197
483 HA THR 69 HA THR 69 11.657 -19.969 -5.288
484 HB THR 69 HB THR 69 9.410 -18.716 -3.707
485 HG1 THR 69 1HG THR 69 9.522 -17.381 -5.417
486 HG21 THR 69 3HG2 THR 69 11.232 -17.495 -2.603
487 HG22 THR 69 1HG2 THR 69 12.401 -18.428 -3.538
488 HG23 THR 69 2HG2 THR 69 11.349 -19.240 -2.378
489 H VAL 70 H VAL 70 12.162 -21.780 -4.271
490 HA VAL 70 HA VAL 70 10.338 -23.818 -3.660
491 HB VAL 70 HB VAL 70 12.723 -24.232 -4.086
492 HG11 VAL 70 1HG1 VAL 70 14.413 -23.799 -2.416
493 HG12 VAL 70 2HG1 VAL 70 13.208 -23.107 -1.330
494 HG13 VAL 70 3HG1 VAL 70 13.606 -22.289 -2.841
495 HG21 VAL 70 3HG2 VAL 70 13.099 -25.886 -2.272
496 HG22 VAL 70 1HG2 VAL 70 11.490 -25.975 -2.986
497 HG23 VAL 70 2HG2 VAL 70 11.716 -25.205 -1.417
498 HA PRO 71 HA PRO 71 8.496 -22.636 0.195
499 HB2 PRO 71 2HB PRO 71 8.660 -25.526 0.870
500 HB3 PRO 71 1HB PRO 71 7.257 -24.455 0.843
501 HG2 PRO 71 2HG PRO 71 7.630 -26.264 -1.075
502 HG3 PRO 71 1HG PRO 71 6.981 -24.657 -1.450
503 HD2 PRO 71 2HD PRO 71 9.732 -25.743 -1.873
504 HD3 PRO 71 1HD PRO 71 8.777 -24.660 -2.906
505 H ALA 72 H ALA 72 8.786 -22.976 2.601
506 HA ALA 72 HA ALA 72 11.566 -23.629 3.301
507 HB1 ALA 72 1HB ALA 72 10.161 -21.047 3.630
508 HB2 ALA 72 2HB ALA 72 11.869 -21.386 3.354
509 HB3 ALA 72 3HB ALA 72 11.182 -21.580 4.966
510 HA PRO 73 HA PRO 73 9.839 -25.836 6.726
511 HB2 PRO 73 2HB PRO 73 11.902 -25.712 8.490
512 HB3 PRO 73 1HB PRO 73 11.938 -26.725 7.041
513 HG2 PRO 73 2HG PRO 73 13.150 -24.023 7.496
514 HG3 PRO 73 1HG PRO 73 13.849 -25.445 6.698
515 HD2 PRO 73 2HD PRO 73 12.798 -23.370 5.317
516 HD3 PRO 73 1HD PRO 73 12.736 -25.042 4.722
517 H SER 74 H SER 74 9.350 -25.648 9.077
518 HA SER 74 HA SER 74 8.640 -22.883 9.714
519 HB2 SER 74 2HB SER 74 7.222 -24.011 11.511
520 HB3 SER 74 1HB SER 74 6.757 -24.317 9.838
521 HG SER 74 HG SER 74 7.577 -26.061 11.744
522 H ALA 75 H ALA 75 9.223 -21.850 11.581
523 HA ALA 75 HA ALA 75 10.386 -21.326 13.458
524 HB1 ALA 75 1HB ALA 75 10.483 -22.852 15.090
525 HB2 ALA 75 2HB ALA 75 11.405 -23.990 14.110
526 HB3 ALA 75 3HB ALA 75 9.651 -23.908 13.950
527 H ASN 76 H ASN 76 12.264 -24.113 12.213
528 HA ASN 76 HA ASN 76 14.318 -22.346 11.202
529 HB2 ASN 76 2HB ASN 76 16.133 -23.438 12.541
530 HB3 ASN 76 1HB ASN 76 15.051 -22.429 13.491
531 HD21 ASN 76 1HD2 ASN 76 15.816 -23.590 15.332
532 HD22 ASN 76 2HD2 ASN 76 15.171 -25.148 15.709
533 H LYS 77 H LYS 77 16.135 -23.629 10.170
534 HA LYS 77 HA LYS 77 15.002 -25.629 8.489
535 HB2 LYS 77 2HB LYS 77 17.662 -24.325 8.759
536 HB3 LYS 77 1HB LYS 77 17.607 -25.877 7.934
537 HG2 LYS 77 2HG LYS 77 15.784 -24.882 6.482
538 HG3 LYS 77 1HG LYS 77 16.228 -23.322 7.175
539 HD2 LYS 77 2HD LYS 77 17.505 -23.387 5.244
540 HD3 LYS 77 1HD LYS 77 18.636 -23.972 6.463
541 HE2 LYS 77 2HE LYS 77 18.950 -25.553 4.840
542 HE3 LYS 77 1HE LYS 77 17.662 -26.317 5.769
543 HZ1 LYS 77 3HZ LYS 77 16.152 -25.984 4.128
544 HZ2 LYS 77 1HZ LYS 77 17.538 -26.054 3.161
545 HZ3 LYS 77 2HZ LYS 77 16.870 -24.556 3.573
546 H GLU 78 H GLU 78 14.933 -27.779 8.733
547 HA GLU 78 HA GLU 78 16.622 -28.978 10.828
548 HB2 GLU 78 2HB GLU 78 13.743 -29.433 10.128
549 HB3 GLU 78 1HB GLU 78 14.678 -30.713 10.892
550 HG2 GLU 78 2HG GLU 78 15.285 -28.667 12.523
551 HG3 GLU 78 1HG GLU 78 13.676 -28.172 11.998
552 H LEU 79 H LEU 79 18.089 -30.321 10.068
553 HA LEU 79 HA LEU 79 17.409 -32.239 8.004
554 HB2 LEU 79 2HB LEU 79 19.559 -31.628 6.750
555 HB3 LEU 79 1HB LEU 79 18.146 -30.619 6.507
556 HG LEU 79 HG LEU 79 20.111 -29.796 8.593
557 HD11 LEU 79 1HD1 LEU 79 21.209 -30.487 6.289
558 HD12 LEU 79 2HD1 LEU 79 21.720 -29.045 7.166
559 HD13 LEU 79 3HD1 LEU 79 20.607 -28.901 5.805
560 HD21 LEU 79 3HD2 LEU 79 19.473 -27.550 7.534
561 HD22 LEU 79 1HD2 LEU 79 18.243 -28.399 8.469
562 HD23 LEU 79 2HD2 LEU 79 18.202 -28.452 6.708
563 H VAL 80 H VAL 80 18.083 -32.404 10.818
564 HA VAL 80 HA VAL 80 20.623 -33.890 10.662
565 HB VAL 80 HB VAL 80 20.740 -31.944 12.171
566 HG11 VAL 80 1HG1 VAL 80 19.254 -31.460 13.787
567 HG12 VAL 80 2HG1 VAL 80 19.021 -33.151 14.229
568 HG13 VAL 80 3HG1 VAL 80 18.174 -32.479 12.836
569 HG21 VAL 80 3HG2 VAL 80 21.147 -34.726 13.052
570 HG22 VAL 80 1HG2 VAL 80 21.157 -33.514 14.334
571 HG23 VAL 80 2HG2 VAL 80 22.280 -33.378 12.982
572 H LYS 81 H LYS 81 20.567 -36.021 11.067
573 HA LYS 81 HA LYS 81 18.055 -37.152 12.104
574 HB2 LYS 81 2HB LYS 81 19.120 -37.724 9.740
575 HB3 LYS 81 1HB LYS 81 20.075 -38.845 10.699
576 HG2 LYS 81 2HG LYS 81 18.306 -40.190 11.150
577 HG3 LYS 81 1HG LYS 81 17.144 -38.863 11.123
578 HD2 LYS 81 2HD LYS 81 17.908 -38.860 8.542
579 HD3 LYS 81 1HD LYS 81 18.137 -40.568 8.922
580 HE2 LYS 81 2HE LYS 81 15.923 -40.339 8.102
581 HE3 LYS 81 1HE LYS 81 15.798 -40.569 9.846
582 HZ1 LYS 81 3HZ LYS 81 14.447 -38.705 8.649
583 HZ2 LYS 81 1HZ LYS 81 15.891 -37.832 8.783
584 HZ3 LYS 81 2HZ LYS 81 15.127 -38.420 10.172
585 H LEU 82 H LEU 82 18.939 -36.584 14.267
586 HA LEU 82 HA LEU 82 20.371 -38.871 15.370
587 HB2 LEU 82 2HB LEU 82 21.403 -36.077 15.321
588 HB3 LEU 82 1HB LEU 82 21.661 -37.015 16.779
589 HG LEU 82 HG LEU 82 22.445 -38.199 14.150
590 HD11 LEU 82 1HD1 LEU 82 24.495 -37.077 14.060
591 HD12 LEU 82 2HD1 LEU 82 24.298 -36.400 15.677
592 HD13 LEU 82 3HD1 LEU 82 23.308 -35.804 14.346
593 HD21 LEU 82 3HD2 LEU 82 22.528 -39.165 16.654
594 HD22 LEU 82 1HD2 LEU 82 24.108 -38.384 16.584
595 HD23 LEU 82 2HD2 LEU 82 23.681 -39.620 15.401
596 H GLU 83 H GLU 83 20.394 -38.768 17.818
597 HA GLU 83 HA GLU 83 17.741 -38.132 18.731
598 HB2 GLU 83 2HB GLU 83 20.132 -39.484 19.918
599 HB3 GLU 83 1HB GLU 83 18.863 -38.909 20.991
600 HG2 GLU 83 2HG GLU 83 17.911 -40.450 18.685
601 HG3 GLU 83 1HG GLU 83 18.918 -41.352 19.815
602 H HIS 84 H HIS 84 21.020 -37.081 19.683
603 HA HIS 84 HA HIS 84 19.882 -34.500 20.485
604 HB2 HIS 84 2HB HIS 84 21.372 -36.418 22.203
605 HB3 HIS 84 1HB HIS 84 21.760 -34.711 22.385
606 HD1 HIS 84 1HD HIS 84 20.415 -33.599 24.127
607 HD2 HIS 84 2HD HIS 84 18.360 -36.766 22.389
608 HE1 HIS 84 1HE HIS 84 18.210 -33.715 25.333
609 HE2 HIS 84 2HE HIS 84 16.970 -35.617 24.241
Start of MODEL 15
1 H1 MET 1 1HT MET 1 20.622 3.705 13.534
2 H2 MET 1 2HT MET 1 21.192 2.248 12.830
3 H3 MET 1 3HT MET 1 19.704 2.264 13.686
4 HA MET 1 HA MET 1 20.310 3.663 11.164
5 HB2 MET 1 2HB MET 1 18.605 1.258 11.847
6 HB3 MET 1 1HB MET 1 18.577 2.072 10.290
7 HG2 MET 1 2HG MET 1 20.085 0.518 9.728
8 HG3 MET 1 1HG MET 1 21.218 1.602 10.532
9 HE1 MET 1 2HE MET 1 19.757 -2.292 10.943
10 HE2 MET 1 3HE MET 1 18.605 -0.963 11.078
11 HE3 MET 1 1HE MET 1 19.081 -1.867 12.516
12 H ALA 2 H ALA 2 18.028 4.148 10.124
13 HA ALA 2 HA ALA 2 16.722 5.977 11.944
14 HB1 ALA 2 1HB ALA 2 15.325 6.371 9.749
15 HB2 ALA 2 2HB ALA 2 16.673 5.514 9.003
16 HB3 ALA 2 3HB ALA 2 16.966 6.997 9.911
17 H VAL 3 H VAL 3 14.447 6.044 12.326
18 HA VAL 3 HA VAL 3 13.221 3.373 12.308
19 HB VAL 3 HB VAL 3 13.522 4.379 14.530
20 HG11 VAL 3 1HG1 VAL 3 12.270 6.685 13.226
21 HG12 VAL 3 2HG1 VAL 3 13.356 6.613 14.613
22 HG13 VAL 3 3HG1 VAL 3 11.631 6.318 14.828
23 HG21 VAL 3 3HG2 VAL 3 10.575 4.410 13.988
24 HG22 VAL 3 1HG2 VAL 3 11.447 3.767 15.379
25 HG23 VAL 3 2HG2 VAL 3 11.506 2.920 13.833
26 H PHE 4 H PHE 4 11.048 3.091 11.698
27 HA PHE 4 HA PHE 4 10.153 4.876 9.614
28 HB2 PHE 4 2HB PHE 4 9.392 2.178 10.609
29 HB3 PHE 4 1HB PHE 4 8.143 3.101 9.786
30 HD1 PHE 4 1HD PHE 4 11.814 2.743 9.152
31 HD2 PHE 4 2HD PHE 4 7.848 2.230 7.693
32 HE1 PHE 4 1HE PHE 4 12.709 2.012 6.978
33 HE2 PHE 4 2HE PHE 4 8.737 1.501 5.520
34 HZ PHE 4 HZ PHE 4 11.169 1.390 5.159
35 H HIS 5 H HIS 5 7.771 5.466 9.521
36 HA HIS 5 HA HIS 5 7.118 6.974 11.886
37 HB2 HIS 5 2HB HIS 5 6.771 7.690 9.430
38 HB3 HIS 5 1HB HIS 5 5.334 6.676 9.472
39 HD1 HIS 5 1HD HIS 5 6.787 9.531 11.529
40 HD2 HIS 5 2HD HIS 5 3.133 8.057 10.211
41 HE1 HIS 5 1HE HIS 5 5.073 11.192 12.312
42 HE2 HIS 5 2HE HIS 5 2.860 10.247 11.560
43 H ASP 6 H ASP 6 5.275 4.580 9.965
44 HA ASP 6 HA ASP 6 4.384 3.231 12.338
45 HB2 ASP 6 2HB ASP 6 2.636 5.207 10.970
46 HB3 ASP 6 1HB ASP 6 1.887 3.679 11.422
47 H GLU 7 H GLU 7 2.994 1.368 11.836
48 HA GLU 7 HA GLU 7 3.510 0.358 9.115
49 HB2 GLU 7 2HB GLU 7 2.950 -1.299 11.578
50 HB3 GLU 7 1HB GLU 7 3.549 -1.859 10.022
51 HG2 GLU 7 2HG GLU 7 5.673 -0.930 10.383
52 HG3 GLU 7 1HG GLU 7 5.102 0.057 11.728
53 H VAL 8 H VAL 8 1.829 -0.259 7.871
54 HA VAL 8 HA VAL 8 -0.793 -0.655 9.121
55 HB VAL 8 HB VAL 8 -0.437 1.066 6.663
56 HG11 VAL 8 1HG1 VAL 8 -2.749 -0.018 8.148
57 HG12 VAL 8 2HG1 VAL 8 -2.582 0.380 6.438
58 HG13 VAL 8 3HG1 VAL 8 -2.875 1.658 7.618
59 HG21 VAL 8 3HG2 VAL 8 -0.976 2.981 8.061
60 HG22 VAL 8 1HG2 VAL 8 0.486 2.189 8.648
61 HG23 VAL 8 2HG2 VAL 8 -1.046 1.944 9.486
62 H GLU 9 H GLU 9 -2.095 -2.132 8.123
63 HA GLU 9 HA GLU 9 -0.872 -4.044 6.430
64 HB2 GLU 9 2HB GLU 9 -3.734 -3.643 7.300
65 HB3 GLU 9 1HB GLU 9 -3.233 -4.980 6.275
66 HG2 GLU 9 2HG GLU 9 -1.847 -5.878 7.992
67 HG3 GLU 9 1HG GLU 9 -2.067 -4.449 8.997
68 H ILE 10 H ILE 10 -1.059 -4.434 4.283
69 HA ILE 10 HA ILE 10 -1.448 -2.334 2.503
70 HB ILE 10 HB ILE 10 -0.130 -4.375 2.022
71 HG12 ILE 10 2HG1 ILE 10 -0.979 -4.624 -0.378
72 HG13 ILE 10 1HG1 ILE 10 -2.262 -3.508 0.075
73 HG21 ILE 10 1HG2 ILE 10 -2.824 -5.663 1.598
74 HG22 ILE 10 2HG2 ILE 10 -1.674 -6.046 2.879
75 HG23 ILE 10 3HG2 ILE 10 -1.264 -6.383 1.198
76 HD11 ILE 10 3HD1 ILE 10 -0.882 -1.726 0.112
77 HD12 ILE 10 1HD1 ILE 10 0.034 -2.724 -1.014
78 HD13 ILE 10 2HD1 ILE 10 0.497 -2.663 0.686
79 H GLU 11 H GLU 11 -3.770 -4.640 3.769
80 HA GLU 11 HA GLU 11 -5.794 -4.361 1.844
81 HB2 GLU 11 2HB GLU 11 -7.339 -5.103 3.630
82 HB3 GLU 11 1HB GLU 11 -5.910 -6.117 3.503
83 HG2 GLU 11 2HG GLU 11 -5.229 -5.625 5.579
84 HG3 GLU 11 1HG GLU 11 -5.641 -3.920 5.414
85 H ASP 12 H ASP 12 -4.820 -2.303 4.501
86 HA ASP 12 HA ASP 12 -7.167 -0.678 4.540
87 HB2 ASP 12 2HB ASP 12 -5.236 -0.982 6.323
88 HB3 ASP 12 1HB ASP 12 -4.518 0.368 5.451
89 H PHE 13 H PHE 13 -4.159 -0.637 2.744
90 HA PHE 13 HA PHE 13 -4.220 2.014 1.812
91 HB2 PHE 13 2HB PHE 13 -2.965 -0.522 0.806
92 HB3 PHE 13 1HB PHE 13 -2.911 0.935 -0.178
93 HD1 PHE 13 2HD PHE 13 -2.392 0.138 3.444
94 HD2 PHE 13 1HD PHE 13 -0.910 2.025 -0.074
95 HE1 PHE 13 2HE PHE 13 -0.417 0.909 4.691
96 HE2 PHE 13 1HE PHE 13 1.065 2.796 1.168
97 HZ PHE 13 HZ PHE 13 1.314 2.239 3.554
98 H GLN 14 H GLN 14 -4.759 2.796 -0.324
99 HA GLN 14 HA GLN 14 -7.252 1.623 -1.289
100 HB2 GLN 14 2HB GLN 14 -6.670 4.188 -0.781
101 HB3 GLN 14 1HB GLN 14 -6.169 4.135 -2.465
102 HG2 GLN 14 2HG GLN 14 -8.828 3.007 -1.806
103 HG3 GLN 14 1HG GLN 14 -8.638 4.756 -1.712
104 HE21 GLN 14 1HE2 GLN 14 -9.967 2.718 -3.623
105 HE22 GLN 14 2HE2 GLN 14 -9.512 3.299 -5.185
106 H TYR 15 H TYR 15 -6.315 -0.194 -2.341
107 HA TYR 15 HA TYR 15 -4.342 0.047 -4.353
108 HB2 TYR 15 2HB TYR 15 -4.784 -2.087 -3.231
109 HB3 TYR 15 1HB TYR 15 -6.397 -2.136 -3.933
110 HD1 TYR 15 1HD TYR 15 -2.814 -1.905 -4.970
111 HD2 TYR 15 2HD TYR 15 -6.717 -3.317 -5.903
112 HE1 TYR 15 1HE TYR 15 -1.914 -3.067 -6.938
113 HE2 TYR 15 2HE TYR 15 -5.829 -4.486 -7.875
114 HH TYR 15 HH TYR 15 -2.829 -5.280 -8.348
115 H ASP 16 H ASP 16 -4.567 -0.199 -6.617
116 HA ASP 16 HA ASP 16 -7.180 0.185 -7.808
117 HB2 ASP 16 2HB ASP 16 -5.815 2.454 -7.202
118 HB3 ASP 16 1HB ASP 16 -5.170 2.119 -8.807
119 H GLU 17 H GLU 17 -7.024 -1.665 -8.991
120 HA GLU 17 HA GLU 17 -4.783 -2.765 -10.176
121 HB2 GLU 17 2HB GLU 17 -6.439 -3.765 -11.863
122 HB3 GLU 17 1HB GLU 17 -6.680 -4.141 -10.165
123 HG2 GLU 17 2HG GLU 17 -8.567 -2.810 -10.006
124 HG3 GLU 17 1HG GLU 17 -8.131 -1.846 -11.415
125 H ASP 18 H ASP 18 -6.786 -0.122 -11.311
126 HA ASP 18 HA ASP 18 -6.093 0.030 -13.986
127 HB2 ASP 18 2HB ASP 18 -7.693 1.513 -12.526
128 HB3 ASP 18 1HB ASP 18 -6.271 2.531 -12.333
129 H SER 19 H SER 19 -4.352 1.291 -11.163
130 HA SER 19 HA SER 19 -2.099 2.010 -12.913
131 HB2 SER 19 2HB SER 19 -3.221 3.699 -11.297
132 HB3 SER 19 1HB SER 19 -2.343 2.837 -10.035
133 HG SER 19 HG SER 19 -0.432 3.428 -10.954
134 H GLU 20 H GLU 20 -3.059 -0.237 -10.474
135 HA GLU 20 HA GLU 20 -1.998 -1.963 -9.458
136 HB2 GLU 20 2HB GLU 20 -1.098 -2.252 -11.827
137 HB3 GLU 20 1HB GLU 20 0.359 -1.445 -11.269
138 HG2 GLU 20 2HG GLU 20 0.284 -3.280 -9.404
139 HG3 GLU 20 1HG GLU 20 -0.701 -4.136 -10.590
140 H THR 21 H THR 21 -1.871 0.507 -8.223
141 HA THR 21 HA THR 21 0.622 0.249 -6.718
142 HB THR 21 HB THR 21 -0.400 2.922 -7.708
143 HG1 THR 21 1HG THR 21 1.127 2.847 -9.235
144 HG21 THR 21 3HG2 THR 21 1.406 3.943 -6.740
145 HG22 THR 21 1HG2 THR 21 2.348 2.454 -6.666
146 HG23 THR 21 2HG2 THR 21 1.020 2.715 -5.535
147 H TYR 22 H TYR 22 0.472 0.873 -4.555
148 HA TYR 22 HA TYR 22 -2.273 1.239 -3.573
149 HB2 TYR 22 2HB TYR 22 0.217 0.341 -2.103
150 HB3 TYR 22 1HB TYR 22 -1.381 0.502 -1.387
151 HD1 TYR 22 1HD TYR 22 0.608 -1.395 -3.854
152 HD2 TYR 22 2HD TYR 22 -3.008 -1.208 -1.617
153 HE1 TYR 22 1HE TYR 22 0.103 -3.711 -4.493
154 HE2 TYR 22 2HE TYR 22 -3.522 -3.530 -2.250
155 HH TYR 22 HH TYR 22 -2.569 -5.058 -4.564
156 H PHE 23 H PHE 23 -2.846 2.924 -2.251
157 HA PHE 23 HA PHE 23 -0.783 4.957 -1.715
158 HB2 PHE 23 2HB PHE 23 -3.633 5.549 -2.542
159 HB3 PHE 23 1HB PHE 23 -2.349 6.723 -2.263
160 HD1 PHE 23 2HD PHE 23 -3.541 4.058 -4.509
161 HD2 PHE 23 1HD PHE 23 -0.735 7.207 -3.938
162 HE1 PHE 23 2HE PHE 23 -2.902 3.911 -6.878
163 HE2 PHE 23 1HE PHE 23 -0.090 7.066 -6.308
164 HZ PHE 23 HZ PHE 23 -1.173 5.416 -7.782
165 H TYR 24 H TYR 24 -1.038 6.214 0.157
166 HA TYR 24 HA TYR 24 -3.125 5.327 2.033
167 HB2 TYR 24 2HB TYR 24 -0.758 4.326 2.401
168 HB3 TYR 24 1HB TYR 24 -0.340 5.932 2.987
169 HD1 TYR 24 2HD TYR 24 -2.703 3.112 3.525
170 HD2 TYR 24 1HD TYR 24 -0.842 6.558 5.191
171 HE1 TYR 24 2HE TYR 24 -3.626 2.540 5.727
172 HE2 TYR 24 1HE TYR 24 -1.762 5.994 7.399
173 HH TYR 24 HH TYR 24 -4.229 3.909 7.885
174 HA PRO 25 HA PRO 25 -3.726 9.702 2.505
175 HB2 PRO 25 2HB PRO 25 -5.295 9.675 4.708
176 HB3 PRO 25 1HB PRO 25 -5.879 9.179 3.115
177 HG2 PRO 25 2HG PRO 25 -4.955 7.487 5.406
178 HG3 PRO 25 1HG PRO 25 -6.350 7.257 4.337
179 HD2 PRO 25 2HD PRO 25 -4.014 5.908 4.026
180 HD3 PRO 25 1HD PRO 25 -5.075 6.325 2.666
181 H CYS 26 H CYS 26 -2.287 11.114 3.261
182 HA CYS 26 HA CYS 26 -0.877 10.531 5.757
183 HB2 CYS 26 2HB CYS 26 -0.018 11.503 3.286
184 HB3 CYS 26 1HB CYS 26 0.015 12.911 4.345
185 HA PRO 27 HA PRO 27 -3.131 13.582 8.032
186 HB2 PRO 27 2HB PRO 27 -1.249 14.285 9.872
187 HB3 PRO 27 1HB PRO 27 -2.156 12.770 9.940
188 HG2 PRO 27 2HG PRO 27 0.610 13.277 8.917
189 HG3 PRO 27 1HG PRO 27 0.011 11.936 9.910
190 HD2 PRO 27 2HD PRO 27 0.424 11.692 7.252
191 HD3 PRO 27 1HD PRO 27 -0.876 10.821 8.094
192 H CYS 28 H CYS 28 -0.131 14.344 6.443
193 HA CYS 28 HA CYS 28 -0.184 17.152 7.034
194 HB2 CYS 28 2HB CYS 28 1.627 17.311 5.367
195 HB3 CYS 28 1HB CYS 28 1.935 16.052 6.557
196 H GLY 29 H GLY 29 -1.372 15.092 4.435
197 HA2 GLY 29 2HA GLY 29 -3.468 16.375 3.508
198 HA3 GLY 29 1HA GLY 29 -2.211 17.421 2.867
199 H ASP 30 H ASP 30 -0.294 15.571 2.116
200 HA ASP 30 HA ASP 30 -1.402 14.603 -0.340
201 HB2 ASP 30 2HB ASP 30 1.267 14.927 0.838
202 HB3 ASP 30 1HB ASP 30 1.120 13.502 -0.183
203 H ASN 31 H ASN 31 -0.277 12.218 -0.910
204 HA ASN 31 HA ASN 31 -1.062 10.365 1.219
205 HB2 ASN 31 2HB ASN 31 -2.055 10.088 -1.627
206 HB3 ASN 31 1HB ASN 31 -2.454 9.055 -0.259
207 HD21 ASN 31 1HD2 ASN 31 -2.797 12.318 -1.549
208 HD22 ASN 31 2HD2 ASN 31 -4.261 12.688 -0.707
209 H PHE 32 H PHE 32 0.210 8.628 1.392
210 HA PHE 32 HA PHE 32 2.649 8.439 0.007
211 HB2 PHE 32 2HB PHE 32 1.143 6.572 1.821
212 HB3 PHE 32 1HB PHE 32 2.633 6.054 1.044
213 HD1 PHE 32 1HD PHE 32 4.686 7.605 1.372
214 HD2 PHE 32 2HD PHE 32 1.237 7.662 3.862
215 HE1 PHE 32 1HE PHE 32 6.003 8.648 3.167
216 HE2 PHE 32 2HE PHE 32 2.549 8.711 5.659
217 HZ PHE 32 HZ PHE 32 4.936 9.204 5.313
218 H SER 33 H SER 33 3.414 6.639 -1.343
219 HA SER 33 HA SER 33 1.361 5.173 -2.807
220 HB2 SER 33 2HB SER 33 2.549 5.887 -4.992
221 HB3 SER 33 1HB SER 33 1.433 7.026 -4.241
222 HG SER 33 HG SER 33 4.264 7.045 -4.162
223 H ILE 34 H ILE 34 2.011 3.238 -3.583
224 HA ILE 34 HA ILE 34 4.823 2.576 -3.827
225 HB ILE 34 HB ILE 34 4.463 2.122 -1.462
226 HG12 ILE 34 2HG1 ILE 34 4.565 -0.430 -3.090
227 HG13 ILE 34 1HG1 ILE 34 5.938 0.614 -2.733
228 HG21 ILE 34 1HG2 ILE 34 1.901 1.573 -2.076
229 HG22 ILE 34 2HG2 ILE 34 2.674 1.076 -0.571
230 HG23 ILE 34 3HG2 ILE 34 2.536 -0.064 -1.909
231 HD11 ILE 34 3HD1 ILE 34 6.042 -0.050 -0.542
232 HD12 ILE 34 1HD1 ILE 34 5.524 -1.534 -1.340
233 HD13 ILE 34 2HD1 ILE 34 4.345 -0.531 -0.493
234 H THR 35 H THR 35 5.069 1.322 -5.572
235 HA THR 35 HA THR 35 2.805 0.352 -7.009
236 HB THR 35 HB THR 35 4.411 -0.504 -8.630
237 HG1 THR 35 1HG THR 35 6.456 0.235 -6.811
238 HG21 THR 35 3HG2 THR 35 4.008 2.030 -8.372
239 HG22 THR 35 1HG2 THR 35 5.348 1.465 -9.370
240 HG23 THR 35 2HG2 THR 35 5.654 2.057 -7.738
241 H LYS 36 H LYS 36 2.294 -1.803 -7.576
242 HA LYS 36 HA LYS 36 2.226 -3.625 -5.459
243 HB2 LYS 36 2HB LYS 36 0.632 -3.685 -7.315
244 HB3 LYS 36 1HB LYS 36 1.915 -4.146 -8.422
245 HG2 LYS 36 2HG LYS 36 0.672 -6.096 -7.905
246 HG3 LYS 36 1HG LYS 36 2.226 -6.226 -7.079
247 HD2 LYS 36 2HD LYS 36 1.205 -5.535 -4.990
248 HD3 LYS 36 1HD LYS 36 -0.342 -5.288 -5.802
249 HE2 LYS 36 2HE LYS 36 0.011 -7.804 -6.500
250 HE3 LYS 36 1HE LYS 36 1.046 -7.821 -5.073
251 HZ1 LYS 36 3HZ LYS 36 -1.080 -6.664 -4.039
252 HZ2 LYS 36 1HZ LYS 36 -0.920 -8.347 -4.110
253 HZ3 LYS 36 2HZ LYS 36 -1.853 -7.538 -5.266
254 H GLU 37 H GLU 37 4.485 -3.306 -8.146
255 HA GLU 37 HA GLU 37 5.861 -5.730 -7.839
256 HB2 GLU 37 2HB GLU 37 6.006 -3.944 -9.720
257 HB3 GLU 37 1HB GLU 37 7.226 -3.194 -8.700
258 HG2 GLU 37 2HG GLU 37 8.726 -4.899 -8.997
259 HG3 GLU 37 1HG GLU 37 7.476 -6.089 -9.348
260 H ASP 38 H ASP 38 6.270 -2.593 -6.246
261 HA ASP 38 HA ASP 38 8.711 -3.051 -4.960
262 HB2 ASP 38 2HB ASP 38 6.357 -1.286 -4.426
263 HB3 ASP 38 1HB ASP 38 7.559 -1.474 -3.153
264 H LEU 39 H LEU 39 5.394 -3.696 -3.830
265 HA LEU 39 HA LEU 39 6.129 -4.761 -1.323
266 HB2 LEU 39 2HB LEU 39 3.680 -5.399 -2.965
267 HB3 LEU 39 1HB LEU 39 3.873 -5.684 -1.246
268 HG LEU 39 HG LEU 39 4.205 -2.893 -2.215
269 HD11 LEU 39 1HD1 LEU 39 2.258 -3.535 -3.449
270 HD12 LEU 39 2HD1 LEU 39 1.754 -2.555 -2.072
271 HD13 LEU 39 3HD1 LEU 39 1.554 -4.307 -2.027
272 HD21 LEU 39 3HD2 LEU 39 2.813 -4.052 0.195
273 HD22 LEU 39 1HD2 LEU 39 3.233 -2.362 -0.083
274 HD23 LEU 39 2HD2 LEU 39 4.507 -3.558 0.156
275 H GLU 40 H GLU 40 5.581 -6.296 -4.478
276 HA GLU 40 HA GLU 40 5.889 -8.961 -3.551
277 HB2 GLU 40 2HB GLU 40 6.256 -7.799 -6.313
278 HB3 GLU 40 1HB GLU 40 6.203 -9.519 -5.949
279 HG2 GLU 40 2HG GLU 40 3.928 -9.325 -5.170
280 HG3 GLU 40 1HG GLU 40 3.971 -7.576 -5.398
281 H ASN 41 H ASN 41 8.179 -6.499 -4.537
282 HA ASN 41 HA ASN 41 10.387 -8.361 -4.733
283 HB2 ASN 41 2HB ASN 41 10.006 -5.442 -5.164
284 HB3 ASN 41 1HB ASN 41 11.628 -5.990 -4.750
285 HD21 ASN 41 1HD2 ASN 41 9.224 -5.799 -7.165
286 HD22 ASN 41 2HD2 ASN 41 10.101 -6.593 -8.423
287 H GLY 42 H GLY 42 9.256 -5.889 -2.446
288 HA2 GLY 42 2HA GLY 42 9.819 -6.830 -0.069
289 HA3 GLY 42 1HA GLY 42 11.461 -6.538 -0.624
290 H GLU 43 H GLU 43 10.087 -4.138 -2.167
291 HA GLU 43 HA GLU 43 10.846 -2.136 -0.309
292 HB2 GLU 43 2HB GLU 43 9.498 -2.093 -2.998
293 HB3 GLU 43 1HB GLU 43 9.658 -0.619 -2.056
294 HG2 GLU 43 2HG GLU 43 11.886 -2.366 -3.065
295 HG3 GLU 43 1HG GLU 43 11.442 -0.765 -3.652
296 H ASP 44 H ASP 44 9.499 -2.748 1.501
297 HA ASP 44 HA ASP 44 6.650 -2.172 1.265
298 HB2 ASP 44 2HB ASP 44 6.567 -2.984 3.651
299 HB3 ASP 44 1HB ASP 44 7.097 -4.174 2.474
300 H VAL 45 H VAL 45 8.354 0.019 0.908
301 HA VAL 45 HA VAL 45 7.668 1.625 3.270
302 HB VAL 45 HB VAL 45 10.089 1.243 3.280
303 HG11 VAL 45 1HG1 VAL 45 10.439 2.850 0.795
304 HG12 VAL 45 2HG1 VAL 45 10.088 1.128 0.653
305 HG13 VAL 45 3HG1 VAL 45 11.517 1.665 1.534
306 HG21 VAL 45 3HG2 VAL 45 10.581 3.364 3.918
307 HG22 VAL 45 1HG2 VAL 45 8.837 3.556 3.737
308 HG23 VAL 45 2HG2 VAL 45 9.920 4.079 2.447
309 H ALA 46 H ALA 46 6.595 3.453 2.875
310 HA ALA 46 HA ALA 46 6.344 4.297 0.067
311 HB1 ALA 46 1HB ALA 46 4.126 4.554 0.307
312 HB2 ALA 46 2HB ALA 46 4.273 5.220 1.933
313 HB3 ALA 46 3HB ALA 46 4.322 3.474 1.686
314 H THR 47 H THR 47 6.686 6.401 -0.467
315 HA THR 47 HA THR 47 7.514 8.201 1.715
316 HB THR 47 HB THR 47 8.544 8.266 -1.130
317 HG1 THR 47 1HG THR 47 9.528 6.513 -0.437
318 HG21 THR 47 3HG2 THR 47 9.699 10.074 -0.592
319 HG22 THR 47 1HG2 THR 47 10.295 9.328 0.890
320 HG23 THR 47 2HG2 THR 47 8.746 10.169 0.889
321 H CYS 48 H CYS 48 6.548 10.132 1.870
322 HA CYS 48 HA CYS 48 4.410 10.754 -0.004
323 HB2 CYS 48 2HB CYS 48 4.118 10.843 2.516
324 HB3 CYS 48 1HB CYS 48 5.151 12.268 2.505
325 HA PRO 49 HA PRO 49 6.934 13.748 -2.122
326 HB2 PRO 49 2HB PRO 49 4.998 14.934 -3.587
327 HB3 PRO 49 1HB PRO 49 5.609 13.316 -3.949
328 HG2 PRO 49 2HG PRO 49 3.114 14.124 -2.510
329 HG3 PRO 49 1HG PRO 49 3.347 12.842 -3.710
330 HD2 PRO 49 2HD PRO 49 3.228 12.383 -1.027
331 HD3 PRO 49 1HD PRO 49 4.145 11.359 -2.150
332 H SER 50 H SER 50 4.645 14.503 0.266
333 HA SER 50 HA SER 50 5.126 17.387 0.021
334 HB2 SER 50 2HB SER 50 2.780 16.051 0.476
335 HB3 SER 50 1HB SER 50 3.266 16.487 2.115
336 HG SER 50 HG SER 50 2.347 18.066 0.087
337 H CYS 51 H CYS 51 4.720 15.102 2.752
338 HA CYS 51 HA CYS 51 6.480 16.692 4.391
339 HB2 CYS 51 2HB CYS 51 5.989 15.083 6.155
340 HB3 CYS 51 1HB CYS 51 4.504 15.595 5.361
341 H SER 52 H SER 52 6.770 13.817 2.434
342 HA SER 52 HA SER 52 8.565 12.569 1.817
343 HB2 SER 52 2HB SER 52 9.623 15.042 2.097
344 HB3 SER 52 1HB SER 52 10.562 14.172 3.310
345 HG SER 52 HG SER 52 11.549 13.091 1.781
346 H LEU 53 H LEU 53 7.111 11.836 4.085
347 HA LEU 53 HA LEU 53 9.070 10.945 6.059
348 HB2 LEU 53 2HB LEU 53 6.085 11.091 5.957
349 HB3 LEU 53 1HB LEU 53 6.838 9.955 7.060
350 HG LEU 53 HG LEU 53 7.603 12.860 7.082
351 HD11 LEU 53 1HD1 LEU 53 5.026 12.169 7.405
352 HD12 LEU 53 2HD1 LEU 53 5.797 13.501 8.265
353 HD13 LEU 53 3HD1 LEU 53 5.616 11.933 9.050
354 HD21 LEU 53 3HD2 LEU 53 8.809 10.866 8.307
355 HD22 LEU 53 1HD2 LEU 53 7.491 11.069 9.461
356 HD23 LEU 53 2HD2 LEU 53 8.572 12.417 9.111
357 H ILE 54 H ILE 54 8.373 8.591 6.928
358 HA ILE 54 HA ILE 54 8.220 6.813 4.579
359 HB ILE 54 HB ILE 54 9.759 5.258 5.776
360 HG12 ILE 54 2HG1 ILE 54 10.211 7.644 7.588
361 HG13 ILE 54 1HG1 ILE 54 9.444 6.129 8.054
362 HG21 ILE 54 1HG2 ILE 54 11.722 6.285 5.007
363 HG22 ILE 54 2HG2 ILE 54 11.108 7.904 5.337
364 HG23 ILE 54 3HG2 ILE 54 10.439 6.962 4.005
365 HD11 ILE 54 3HD1 ILE 54 11.459 4.944 7.910
366 HD12 ILE 54 1HD1 ILE 54 11.865 6.457 8.718
367 HD13 ILE 54 2HD1 ILE 54 12.251 6.236 7.011
368 H ILE 55 H ILE 55 7.064 4.918 4.809
369 HA ILE 55 HA ILE 55 5.892 4.301 7.417
370 HB ILE 55 HB ILE 55 3.647 3.964 6.389
371 HG12 ILE 55 2HG1 ILE 55 4.301 5.810 4.162
372 HG13 ILE 55 1HG1 ILE 55 4.876 4.155 3.990
373 HG21 ILE 55 1HG2 ILE 55 4.685 6.792 6.261
374 HG22 ILE 55 2HG2 ILE 55 4.162 5.951 7.720
375 HG23 ILE 55 3HG2 ILE 55 3.000 6.306 6.443
376 HD11 ILE 55 3HD1 ILE 55 2.863 3.484 3.381
377 HD12 ILE 55 1HD1 ILE 55 2.321 5.160 3.444
378 HD13 ILE 55 2HD1 ILE 55 2.157 4.128 4.864
379 H LYS 56 H LYS 56 5.376 2.146 7.730
380 HA LYS 56 HA LYS 56 6.541 0.315 5.781
381 HB2 LYS 56 2HB LYS 56 7.166 0.161 8.189
382 HB3 LYS 56 1HB LYS 56 5.502 -0.262 8.562
383 HG2 LYS 56 2HG LYS 56 6.373 -2.348 8.458
384 HG3 LYS 56 1HG LYS 56 5.976 -2.145 6.751
385 HD2 LYS 56 2HD LYS 56 8.226 -1.601 6.206
386 HD3 LYS 56 1HD LYS 56 8.670 -1.453 7.907
387 HE2 LYS 56 2HE LYS 56 7.619 -4.038 6.817
388 HE3 LYS 56 1HE LYS 56 9.315 -3.603 6.612
389 HZ1 LYS 56 3HZ LYS 56 9.149 -3.177 9.172
390 HZ2 LYS 56 1HZ LYS 56 9.386 -4.743 8.574
391 HZ3 LYS 56 2HZ LYS 56 7.846 -4.250 9.069
392 H VAL 57 H VAL 57 5.496 -1.097 4.601
393 HA VAL 57 HA VAL 57 2.569 -1.141 4.826
394 HB VAL 57 HB VAL 57 3.829 -2.190 2.356
395 HG11 VAL 57 1HG1 VAL 57 1.485 -0.444 3.047
396 HG12 VAL 57 2HG1 VAL 57 1.462 -2.119 2.493
397 HG13 VAL 57 3HG1 VAL 57 1.948 -0.831 1.391
398 HG21 VAL 57 3HG2 VAL 57 3.769 0.781 2.908
399 HG22 VAL 57 1HG2 VAL 57 4.230 -0.000 1.397
400 HG23 VAL 57 2HG2 VAL 57 5.229 -0.203 2.833
401 H ILE 58 H ILE 58 1.814 -2.896 5.801
402 HA ILE 58 HA ILE 58 3.345 -5.376 5.755
403 HB ILE 58 HB ILE 58 0.746 -4.859 7.200
404 HG12 ILE 58 2HG1 ILE 58 2.462 -3.232 7.907
405 HG13 ILE 58 1HG1 ILE 58 2.085 -4.376 9.191
406 HG21 ILE 58 1HG2 ILE 58 1.071 -7.162 7.139
407 HG22 ILE 58 2HG2 ILE 58 1.775 -6.695 8.688
408 HG23 ILE 58 3HG2 ILE 58 2.821 -7.018 7.305
409 HD11 ILE 58 3HD1 ILE 58 4.188 -5.594 7.964
410 HD12 ILE 58 1HD1 ILE 58 4.299 -4.557 9.385
411 HD13 ILE 58 2HD1 ILE 58 4.593 -3.887 7.780
412 H TYR 59 H TYR 59 2.785 -7.175 4.670
413 HA TYR 59 HA TYR 59 0.122 -7.540 3.596
414 HB2 TYR 59 2HB TYR 59 1.009 -7.829 1.246
415 HB3 TYR 59 1HB TYR 59 1.006 -6.168 1.834
416 HD1 TYR 59 1HD TYR 59 3.099 -5.031 2.371
417 HD2 TYR 59 2HD TYR 59 3.090 -9.001 0.844
418 HE1 TYR 59 1HE TYR 59 5.502 -4.848 1.902
419 HE2 TYR 59 2HE TYR 59 5.494 -8.828 0.367
420 HH TYR 59 HH TYR 59 7.148 -6.785 -0.097
421 H ASP 60 H ASP 60 0.202 -9.634 2.111
422 HA ASP 60 HA ASP 60 1.538 -11.653 3.725
423 HB2 ASP 60 2HB ASP 60 -0.960 -11.620 2.766
424 HB3 ASP 60 1HB ASP 60 -0.171 -12.421 1.411
425 H LYS 61 H LYS 61 3.646 -11.786 3.153
426 HA LYS 61 HA LYS 61 4.687 -11.495 0.563
427 HB2 LYS 61 2HB LYS 61 5.705 -12.634 3.122
428 HB3 LYS 61 1HB LYS 61 6.588 -13.006 1.647
429 HG2 LYS 61 2HG LYS 61 6.313 -10.348 1.360
430 HG3 LYS 61 1HG LYS 61 6.337 -10.469 3.121
431 HD2 LYS 61 2HD LYS 61 8.394 -12.089 2.541
432 HD3 LYS 61 1HD LYS 61 8.470 -11.012 1.144
433 HE2 LYS 61 2HE LYS 61 8.325 -9.107 2.854
434 HE3 LYS 61 1HE LYS 61 8.721 -10.334 4.056
435 HZ1 LYS 61 3HZ LYS 61 10.430 -10.189 1.693
436 HZ2 LYS 61 1HZ LYS 61 10.831 -10.524 3.302
437 HZ3 LYS 61 2HZ LYS 61 10.564 -8.928 2.812
438 H ASP 62 H ASP 62 3.286 -14.263 2.188
439 HA ASP 62 HA ASP 62 4.278 -16.278 0.475
440 HB2 ASP 62 2HB ASP 62 2.916 -16.358 2.777
441 HB3 ASP 62 1HB ASP 62 1.566 -16.587 1.668
442 H GLN 63 H GLN 63 1.482 -14.134 0.290
443 HA GLN 63 HA GLN 63 0.409 -15.448 -2.054
444 HB2 GLN 63 2HB GLN 63 -0.338 -12.937 -0.559
445 HB3 GLN 63 1HB GLN 63 -1.136 -13.418 -2.049
446 HG2 GLN 63 2HG GLN 63 -1.927 -15.445 -1.042
447 HG3 GLN 63 1HG GLN 63 -0.998 -15.128 0.423
448 HE21 GLN 63 1HE2 GLN 63 -3.921 -14.610 -1.235
449 HE22 GLN 63 2HE2 GLN 63 -4.664 -13.560 -0.085
450 H PHE 64 H PHE 64 2.088 -12.405 -1.322
451 HA PHE 64 HA PHE 64 2.065 -11.369 -3.947
452 HB2 PHE 64 2HB PHE 64 3.708 -10.823 -1.496
453 HB3 PHE 64 1HB PHE 64 4.169 -10.100 -3.032
454 HD1 PHE 64 2HD PHE 64 0.997 -10.605 -1.110
455 HD2 PHE 64 1HD PHE 64 3.475 -7.942 -3.321
456 HE1 PHE 64 2HE PHE 64 -0.629 -8.796 -0.747
457 HE2 PHE 64 1HE PHE 64 1.852 -6.131 -2.962
458 HZ PHE 64 HZ PHE 64 -0.203 -6.554 -1.674
459 H VAL 65 H VAL 65 4.335 -13.487 -2.251
460 HA VAL 65 HA VAL 65 5.874 -13.766 -4.749
461 HB VAL 65 HB VAL 65 6.828 -14.491 -1.975
462 HG11 VAL 65 1HG1 VAL 65 8.711 -13.862 -4.161
463 HG12 VAL 65 2HG1 VAL 65 7.801 -15.363 -4.324
464 HG13 VAL 65 3HG1 VAL 65 8.801 -15.090 -2.898
465 HG21 VAL 65 3HG2 VAL 65 6.603 -12.180 -1.816
466 HG22 VAL 65 1HG2 VAL 65 7.046 -11.921 -3.503
467 HG23 VAL 65 2HG2 VAL 65 8.277 -12.387 -2.330
468 H SER 66 H SER 66 4.414 -15.312 -5.601
469 HA SER 66 HA SER 66 4.392 -17.916 -4.225
470 HB2 SER 66 2HB SER 66 2.448 -18.440 -5.709
471 HB3 SER 66 1HB SER 66 2.156 -17.067 -4.641
472 HG SER 66 HG SER 66 1.518 -16.331 -6.575
473 H GLY 67 H GLY 67 6.730 -17.153 -5.599
474 HA2 GLY 67 2HA GLY 67 6.723 -18.215 -8.263
475 HA3 GLY 67 1HA GLY 67 8.135 -17.738 -7.337
476 H GLU 68 H GLU 68 8.618 -19.302 -5.439
477 HA GLU 68 HA GLU 68 8.333 -22.055 -6.457
478 HB2 GLU 68 2HB GLU 68 10.641 -20.616 -5.196
479 HB3 GLU 68 1HB GLU 68 10.520 -22.366 -5.063
480 HG2 GLU 68 2HG GLU 68 11.078 -22.701 -7.202
481 HG3 GLU 68 1HG GLU 68 10.132 -21.328 -7.771
482 H THR 69 H THR 69 6.358 -22.234 -5.202
483 HA THR 69 HA THR 69 6.901 -23.232 -2.541
484 HB THR 69 HB THR 69 4.762 -21.119 -2.846
485 HG1 THR 69 1HG THR 69 7.452 -20.824 -2.007
486 HG21 THR 69 3HG2 THR 69 4.795 -22.836 -0.910
487 HG22 THR 69 1HG2 THR 69 4.530 -21.126 -0.568
488 HG23 THR 69 2HG2 THR 69 6.118 -21.842 -0.299
489 H VAL 70 H VAL 70 5.770 -25.040 -2.231
490 HA VAL 70 HA VAL 70 3.443 -25.556 -3.957
491 HB VAL 70 HB VAL 70 5.077 -27.593 -2.435
492 HG11 VAL 70 1HG1 VAL 70 2.788 -28.275 -3.014
493 HG12 VAL 70 2HG1 VAL 70 4.003 -29.219 -3.874
494 HG13 VAL 70 3HG1 VAL 70 3.128 -27.937 -4.711
495 HG21 VAL 70 3HG2 VAL 70 5.410 -26.486 -5.201
496 HG22 VAL 70 1HG2 VAL 70 5.911 -28.134 -4.817
497 HG23 VAL 70 2HG2 VAL 70 6.629 -26.771 -3.959
498 HA PRO 71 HA PRO 71 0.695 -25.320 -0.479
499 HB2 PRO 71 2HB PRO 71 -0.874 -27.426 -1.850
500 HB3 PRO 71 1HB PRO 71 -1.359 -25.798 -1.366
501 HG2 PRO 71 2HG PRO 71 -0.933 -26.411 -3.931
502 HG3 PRO 71 1HG PRO 71 -0.476 -24.827 -3.274
503 HD2 PRO 71 2HD PRO 71 1.245 -27.196 -3.887
504 HD3 PRO 71 1HD PRO 71 1.571 -25.470 -4.145
505 H ALA 72 H ALA 72 -0.689 -26.988 0.885
506 HA ALA 72 HA ALA 72 0.543 -29.578 1.217
507 HB1 ALA 72 1HB ALA 72 1.052 -27.340 3.138
508 HB2 ALA 72 2HB ALA 72 2.182 -28.520 2.471
509 HB3 ALA 72 3HB ALA 72 1.014 -29.013 3.698
510 HA PRO 73 HA PRO 73 -3.534 -30.309 2.820
511 HB2 PRO 73 2HB PRO 73 -3.255 -32.853 3.604
512 HB3 PRO 73 1HB PRO 73 -3.189 -32.409 1.893
513 HG2 PRO 73 2HG PRO 73 -0.951 -33.014 3.784
514 HG3 PRO 73 1HG PRO 73 -1.150 -33.501 2.092
515 HD2 PRO 73 2HD PRO 73 0.403 -31.382 2.939
516 HD3 PRO 73 1HD PRO 73 -0.277 -31.543 1.308
517 H SER 74 H SER 74 -2.150 -28.727 4.579
518 HA SER 74 HA SER 74 -2.107 -28.064 6.738
519 HB2 SER 74 2HB SER 74 -3.646 -30.352 7.817
520 HB3 SER 74 1HB SER 74 -3.889 -28.623 8.038
521 HG SER 74 HG SER 74 -4.816 -28.564 5.944
522 H ALA 75 H ALA 75 -2.249 -31.601 7.223
523 HA ALA 75 HA ALA 75 0.501 -31.978 7.671
524 HB1 ALA 75 1HB ALA 75 0.623 -30.895 9.660
525 HB2 ALA 75 2HB ALA 75 0.017 -32.435 10.269
526 HB3 ALA 75 3HB ALA 75 -1.096 -31.094 9.999
527 H ASN 76 H ASN 76 0.786 -34.097 9.138
528 HA ASN 76 HA ASN 76 -1.146 -36.017 8.060
529 HB2 ASN 76 2HB ASN 76 1.733 -36.131 8.760
530 HB3 ASN 76 1HB ASN 76 0.801 -37.601 9.027
531 HD21 ASN 76 1HD2 ASN 76 2.915 -36.775 7.032
532 HD22 ASN 76 2HD2 ASN 76 2.236 -37.198 5.501
533 H LYS 77 H LYS 77 0.443 -35.113 11.093
534 HA LYS 77 HA LYS 77 -1.808 -35.717 12.672
535 HB2 LYS 77 2HB LYS 77 -0.766 -37.639 13.964
536 HB3 LYS 77 1HB LYS 77 -1.400 -38.023 12.371
537 HG2 LYS 77 2HG LYS 77 0.565 -39.087 12.147
538 HG3 LYS 77 1HG LYS 77 1.152 -37.479 11.726
539 HD2 LYS 77 2HD LYS 77 2.321 -37.255 13.652
540 HD3 LYS 77 1HD LYS 77 1.117 -38.124 14.606
541 HE2 LYS 77 2HE LYS 77 3.341 -39.266 14.393
542 HE3 LYS 77 1HE LYS 77 1.952 -40.232 13.898
543 HZ1 LYS 77 3HZ LYS 77 3.559 -38.688 11.946
544 HZ2 LYS 77 1HZ LYS 77 2.488 -39.964 11.649
545 HZ3 LYS 77 2HZ LYS 77 3.974 -40.264 12.395
546 H GLU 78 H GLU 78 -1.659 -34.339 14.298
547 HA GLU 78 HA GLU 78 0.746 -34.109 15.869
548 HB2 GLU 78 2HB GLU 78 -0.147 -31.915 14.030
549 HB3 GLU 78 1HB GLU 78 0.640 -31.516 15.551
550 HG2 GLU 78 2HG GLU 78 2.468 -33.159 14.773
551 HG3 GLU 78 1HG GLU 78 1.745 -32.959 13.179
552 H LEU 79 H LEU 79 -0.426 -34.684 17.652
553 HA LEU 79 HA LEU 79 -2.570 -32.832 18.467
554 HB2 LEU 79 2HB LEU 79 -3.376 -34.731 19.916
555 HB3 LEU 79 1HB LEU 79 -3.580 -34.948 18.189
556 HG LEU 79 HG LEU 79 -1.120 -36.079 19.417
557 HD11 LEU 79 1HD1 LEU 79 -3.519 -37.799 19.551
558 HD12 LEU 79 2HD1 LEU 79 -3.368 -36.552 20.789
559 HD13 LEU 79 3HD1 LEU 79 -2.092 -37.752 20.586
560 HD21 LEU 79 3HD2 LEU 79 -1.129 -36.638 17.221
561 HD22 LEU 79 1HD2 LEU 79 -2.885 -36.550 17.089
562 HD23 LEU 79 2HD2 LEU 79 -2.123 -37.971 17.806
563 H VAL 80 H VAL 80 0.257 -32.420 18.903
564 HA VAL 80 HA VAL 80 0.492 -32.794 21.808
565 HB VAL 80 HB VAL 80 2.329 -33.667 20.370
566 HG11 VAL 80 1HG1 VAL 80 3.894 -32.125 19.321
567 HG12 VAL 80 2HG1 VAL 80 2.884 -30.760 19.799
568 HG13 VAL 80 3HG1 VAL 80 2.277 -31.940 18.639
569 HG21 VAL 80 3HG2 VAL 80 3.948 -33.194 21.919
570 HG22 VAL 80 1HG2 VAL 80 2.517 -32.658 22.797
571 HG23 VAL 80 2HG2 VAL 80 3.542 -31.479 21.981
572 H LYS 81 H LYS 81 -1.100 -30.694 20.349
573 HA LYS 81 HA LYS 81 -0.256 -28.459 21.967
574 HB2 LYS 81 2HB LYS 81 1.046 -28.349 19.756
575 HB3 LYS 81 1HB LYS 81 -0.499 -27.982 19.000
576 HG2 LYS 81 2HG LYS 81 0.284 -25.876 19.352
577 HG3 LYS 81 1HG LYS 81 -0.597 -26.126 20.860
578 HD2 LYS 81 2HD LYS 81 1.641 -26.994 21.784
579 HD3 LYS 81 1HD LYS 81 2.363 -26.226 20.367
580 HE2 LYS 81 2HE LYS 81 1.998 -24.132 21.148
581 HE3 LYS 81 1HE LYS 81 0.473 -24.570 21.914
582 HZ1 LYS 81 3HZ LYS 81 3.162 -25.258 22.977
583 HZ2 LYS 81 1HZ LYS 81 1.678 -25.568 23.728
584 HZ3 LYS 81 2HZ LYS 81 2.204 -23.975 23.523
585 H LEU 82 H LEU 82 -2.265 -28.670 22.966
586 HA LEU 82 HA LEU 82 -4.448 -28.191 23.359
587 HB2 LEU 82 2HB LEU 82 -3.635 -26.166 21.815
588 HB3 LEU 82 1HB LEU 82 -4.837 -26.851 20.740
589 HG LEU 82 HG LEU 82 -6.422 -26.709 22.793
590 HD11 LEU 82 1HD1 LEU 82 -5.763 -24.628 24.158
591 HD12 LEU 82 2HD1 LEU 82 -4.119 -24.987 23.631
592 HD13 LEU 82 3HD1 LEU 82 -5.022 -26.174 24.571
593 HD21 LEU 82 3HD2 LEU 82 -6.752 -24.201 22.265
594 HD22 LEU 82 1HD2 LEU 82 -6.967 -25.380 20.972
595 HD23 LEU 82 2HD2 LEU 82 -5.474 -24.448 21.075
596 H GLU 83 H GLU 83 -5.610 -30.013 23.345
597 HA GLU 83 HA GLU 83 -6.574 -31.022 20.746
598 HB2 GLU 83 2HB GLU 83 -4.935 -32.517 21.965
599 HB3 GLU 83 1HB GLU 83 -6.149 -32.692 23.225
600 HG2 GLU 83 2HG GLU 83 -7.108 -33.250 20.510
601 HG3 GLU 83 1HG GLU 83 -5.868 -34.352 21.104
602 H HIS 84 H HIS 84 -8.725 -31.237 20.496
603 HA HIS 84 HA HIS 84 -10.486 -31.457 22.790
604 HB2 HIS 84 2HB HIS 84 -10.265 -28.983 21.148
605 HB3 HIS 84 1HB HIS 84 -11.884 -29.512 21.589
606 HD1 HIS 84 1HD HIS 84 -8.810 -27.978 22.980
607 HD2 HIS 84 2HD HIS 84 -12.438 -29.449 24.373
608 HE1 HIS 84 1HE HIS 84 -9.007 -27.149 25.347
609 HE2 HIS 84 2HE HIS 84 -11.145 -28.165 26.208
Start of MODEL 16
1 H1 MET 1 1HT MET 1 19.701 0.692 8.338
2 H2 MET 1 2HT MET 1 19.631 -0.646 9.411
3 H3 MET 1 3HT MET 1 20.934 0.465 9.507
4 HA MET 1 HA MET 1 19.486 0.914 11.266
5 HB2 MET 1 2HB MET 1 19.598 2.788 8.945
6 HB3 MET 1 1HB MET 1 18.565 3.223 10.297
7 HG2 MET 1 2HG MET 1 20.504 4.251 10.902
8 HG3 MET 1 1HG MET 1 20.702 2.697 11.711
9 HE1 MET 1 2HE MET 1 22.879 4.178 7.962
10 HE2 MET 1 3HE MET 1 22.492 5.225 9.328
11 HE3 MET 1 1HE MET 1 21.195 4.501 8.378
12 H ALA 2 H ALA 2 17.339 1.767 11.939
13 HA ALA 2 HA ALA 2 15.105 1.092 10.196
14 HB1 ALA 2 1HB ALA 2 14.084 -0.456 11.682
15 HB2 ALA 2 2HB ALA 2 15.285 -0.149 12.935
16 HB3 ALA 2 3HB ALA 2 15.749 -0.991 11.457
17 H VAL 3 H VAL 3 14.433 3.222 10.227
18 HA VAL 3 HA VAL 3 13.276 4.126 12.762
19 HB VAL 3 HB VAL 3 14.015 6.474 12.258
20 HG11 VAL 3 1HG1 VAL 3 15.178 4.644 13.774
21 HG12 VAL 3 2HG1 VAL 3 15.884 6.244 13.544
22 HG13 VAL 3 3HG1 VAL 3 16.490 4.871 12.618
23 HG21 VAL 3 3HG2 VAL 3 14.722 6.679 10.105
24 HG22 VAL 3 1HG2 VAL 3 15.397 5.051 10.051
25 HG23 VAL 3 2HG2 VAL 3 16.281 6.346 10.857
26 H PHE 4 H PHE 4 11.327 3.350 11.704
27 HA PHE 4 HA PHE 4 10.348 5.023 9.495
28 HB2 PHE 4 2HB PHE 4 9.725 2.290 10.487
29 HB3 PHE 4 1HB PHE 4 8.398 3.201 9.780
30 HD1 PHE 4 1HD PHE 4 12.010 3.015 8.854
31 HD2 PHE 4 2HD PHE 4 7.973 2.301 7.715
32 HE1 PHE 4 1HE PHE 4 12.764 2.362 6.607
33 HE2 PHE 4 2HE PHE 4 8.718 1.646 5.466
34 HZ PHE 4 HZ PHE 4 11.117 1.676 4.907
35 H HIS 5 H HIS 5 7.833 5.343 9.639
36 HA HIS 5 HA HIS 5 7.360 6.814 12.103
37 HB2 HIS 5 2HB HIS 5 6.800 7.447 9.538
38 HB3 HIS 5 1HB HIS 5 5.263 6.732 10.007
39 HD1 HIS 5 1HD HIS 5 7.650 9.377 11.358
40 HD2 HIS 5 2HD HIS 5 3.588 8.520 11.150
41 HE1 HIS 5 1HE HIS 5 6.491 11.361 12.379
42 HE2 HIS 5 2HE HIS 5 4.036 10.798 12.289
43 H ASP 6 H ASP 6 5.393 4.572 10.122
44 HA ASP 6 HA ASP 6 4.645 3.026 12.433
45 HB2 ASP 6 2HB ASP 6 2.795 5.055 11.272
46 HB3 ASP 6 1HB ASP 6 2.108 3.496 11.714
47 H GLU 7 H GLU 7 3.413 1.117 11.887
48 HA GLU 7 HA GLU 7 3.736 0.358 9.063
49 HB2 GLU 7 2HB GLU 7 3.264 -1.483 11.415
50 HB3 GLU 7 1HB GLU 7 3.748 -1.939 9.788
51 HG2 GLU 7 2HG GLU 7 5.805 -1.998 10.641
52 HG3 GLU 7 1HG GLU 7 5.752 -0.245 10.474
53 H VAL 8 H VAL 8 2.023 -0.212 7.819
54 HA VAL 8 HA VAL 8 -0.592 -0.561 9.120
55 HB VAL 8 HB VAL 8 -0.219 1.089 6.617
56 HG11 VAL 8 1HG1 VAL 8 -2.460 1.305 6.529
57 HG12 VAL 8 2HG1 VAL 8 -2.634 1.341 8.283
58 HG13 VAL 8 3HG1 VAL 8 -2.442 -0.199 7.447
59 HG21 VAL 8 3HG2 VAL 8 0.796 2.290 8.456
60 HG22 VAL 8 1HG2 VAL 8 -0.627 2.015 9.461
61 HG23 VAL 8 2HG2 VAL 8 -0.740 3.046 8.036
62 H GLU 9 H GLU 9 -1.920 -2.058 8.200
63 HA GLU 9 HA GLU 9 -0.773 -4.009 6.496
64 HB2 GLU 9 2HB GLU 9 -3.632 -3.583 7.383
65 HB3 GLU 9 1HB GLU 9 -3.088 -4.980 6.463
66 HG2 GLU 9 2HG GLU 9 -1.787 -5.785 8.239
67 HG3 GLU 9 1HG GLU 9 -1.856 -4.246 9.096
68 H ILE 10 H ILE 10 -1.042 -4.440 4.360
69 HA ILE 10 HA ILE 10 -1.477 -2.354 2.569
70 HB ILE 10 HB ILE 10 -0.194 -4.398 2.043
71 HG12 ILE 10 2HG1 ILE 10 -1.623 -4.726 -0.268
72 HG13 ILE 10 1HG1 ILE 10 -2.215 -3.168 0.296
73 HG21 ILE 10 1HG2 ILE 10 -2.917 -5.681 1.911
74 HG22 ILE 10 2HG2 ILE 10 -1.569 -6.117 2.960
75 HG23 ILE 10 3HG2 ILE 10 -1.458 -6.391 1.222
76 HD11 ILE 10 3HD1 ILE 10 0.716 -3.707 0.174
77 HD12 ILE 10 1HD1 ILE 10 -0.145 -2.169 0.112
78 HD13 ILE 10 2HD1 ILE 10 -0.182 -3.255 -1.276
79 H GLU 11 H GLU 11 -3.758 -4.624 3.960
80 HA GLU 11 HA GLU 11 -5.872 -4.360 2.140
81 HB2 GLU 11 2HB GLU 11 -5.665 -5.083 5.030
82 HB3 GLU 11 1HB GLU 11 -7.256 -4.744 4.366
83 HG2 GLU 11 2HG GLU 11 -5.657 -6.567 2.736
84 HG3 GLU 11 1HG GLU 11 -6.022 -7.170 4.352
85 H ASP 12 H ASP 12 -4.778 -2.271 4.744
86 HA ASP 12 HA ASP 12 -7.078 -0.589 4.800
87 HB2 ASP 12 2HB ASP 12 -4.983 -0.907 6.465
88 HB3 ASP 12 1HB ASP 12 -4.452 0.535 5.603
89 H PHE 13 H PHE 13 -4.159 -0.674 2.875
90 HA PHE 13 HA PHE 13 -4.231 1.974 1.876
91 HB2 PHE 13 2HB PHE 13 -2.949 -0.586 0.964
92 HB3 PHE 13 1HB PHE 13 -2.917 0.831 -0.077
93 HD1 PHE 13 2HD PHE 13 -2.259 0.021 3.518
94 HD2 PHE 13 1HD PHE 13 -1.026 2.102 0.016
95 HE1 PHE 13 2HE PHE 13 -0.274 0.850 4.712
96 HE2 PHE 13 1HE PHE 13 0.962 2.931 1.201
97 HZ PHE 13 HZ PHE 13 1.340 2.306 3.553
98 H GLN 14 H GLN 14 -4.472 2.347 -0.595
99 HA GLN 14 HA GLN 14 -7.058 1.204 -1.414
100 HB2 GLN 14 2HB GLN 14 -6.412 3.829 -1.120
101 HB3 GLN 14 1HB GLN 14 -6.042 3.595 -2.822
102 HG2 GLN 14 2HG GLN 14 -8.194 3.497 -3.398
103 HG3 GLN 14 1HG GLN 14 -8.610 2.460 -2.035
104 HE21 GLN 14 1HE2 GLN 14 -8.356 3.750 0.149
105 HE22 GLN 14 2HE2 GLN 14 -9.178 5.269 0.167
106 H TYR 15 H TYR 15 -6.816 -0.417 -2.827
107 HA TYR 15 HA TYR 15 -4.512 -0.776 -4.437
108 HB2 TYR 15 2HB TYR 15 -5.908 -2.673 -3.748
109 HB3 TYR 15 1HB TYR 15 -7.251 -2.046 -4.698
110 HD1 TYR 15 1HD TYR 15 -3.735 -3.237 -5.038
111 HD2 TYR 15 2HD TYR 15 -7.515 -2.724 -6.918
112 HE1 TYR 15 1HE TYR 15 -2.926 -4.495 -6.986
113 HE2 TYR 15 2HE TYR 15 -6.719 -3.983 -8.874
114 HH TYR 15 HH TYR 15 -4.095 -5.916 -8.875
115 H ASP 16 H ASP 16 -3.973 0.485 -6.075
116 HA ASP 16 HA ASP 16 -6.042 1.815 -7.644
117 HB2 ASP 16 2HB ASP 16 -3.813 2.865 -6.668
118 HB3 ASP 16 1HB ASP 16 -3.120 2.222 -8.152
119 H GLU 17 H GLU 17 -6.821 0.043 -8.827
120 HA GLU 17 HA GLU 17 -5.314 -1.808 -10.262
121 HB2 GLU 17 2HB GLU 17 -7.379 -1.923 -11.781
122 HB3 GLU 17 1HB GLU 17 -7.591 -2.313 -10.080
123 HG2 GLU 17 2HG GLU 17 -8.780 -0.389 -9.647
124 HG3 GLU 17 1HG GLU 17 -8.085 0.476 -11.018
125 H ASP 18 H ASP 18 -6.075 1.512 -11.014
126 HA ASP 18 HA ASP 18 -5.785 1.689 -13.725
127 HB2 ASP 18 2HB ASP 18 -6.021 3.515 -11.760
128 HB3 ASP 18 1HB ASP 18 -4.322 3.746 -12.156
129 H SER 19 H SER 19 -3.155 1.530 -11.329
130 HA SER 19 HA SER 19 -1.366 0.611 -13.449
131 HB2 SER 19 2HB SER 19 -0.848 3.010 -11.693
132 HB3 SER 19 1HB SER 19 0.445 2.149 -12.525
133 HG SER 19 HG SER 19 -1.531 3.809 -13.541
134 H GLU 20 H GLU 20 -2.683 -0.635 -11.093
135 HA GLU 20 HA GLU 20 -2.238 -1.971 -9.299
136 HB2 GLU 20 2HB GLU 20 0.385 -2.513 -10.684
137 HB3 GLU 20 1HB GLU 20 -0.553 -3.607 -9.678
138 HG2 GLU 20 2HG GLU 20 -1.124 -4.434 -11.701
139 HG3 GLU 20 1HG GLU 20 -2.362 -3.185 -11.578
140 H THR 21 H THR 21 -1.923 0.284 -8.201
141 HA THR 21 HA THR 21 0.592 0.125 -6.695
142 HB THR 21 HB THR 21 -0.572 2.736 -7.697
143 HG1 THR 21 1HG THR 21 0.323 1.744 -9.450
144 HG21 THR 21 3HG2 THR 21 1.330 3.820 -6.882
145 HG22 THR 21 1HG2 THR 21 2.179 2.301 -6.591
146 HG23 THR 21 2HG2 THR 21 0.816 2.760 -5.570
147 H TYR 22 H TYR 22 0.478 0.967 -4.539
148 HA TYR 22 HA TYR 22 -2.288 1.251 -3.551
149 HB2 TYR 22 2HB TYR 22 0.128 0.224 -2.044
150 HB3 TYR 22 1HB TYR 22 -1.507 0.353 -1.408
151 HD1 TYR 22 1HD TYR 22 0.456 -1.307 -4.108
152 HD2 TYR 22 2HD TYR 22 -2.967 -1.455 -1.584
153 HE1 TYR 22 1HE TYR 22 -0.020 -3.580 -4.901
154 HE2 TYR 22 2HE TYR 22 -3.453 -3.733 -2.372
155 HH TYR 22 HH TYR 22 -1.678 -5.705 -3.499
156 H PHE 23 H PHE 23 -2.815 2.943 -2.225
157 HA PHE 23 HA PHE 23 -0.664 4.847 -1.563
158 HB2 PHE 23 2HB PHE 23 -3.422 5.591 -2.565
159 HB3 PHE 23 1HB PHE 23 -2.136 6.711 -2.132
160 HD1 PHE 23 1HD PHE 23 -2.865 3.888 -4.453
161 HD2 PHE 23 2HD PHE 23 -0.716 7.500 -3.778
162 HE1 PHE 23 1HE PHE 23 -2.033 3.820 -6.764
163 HE2 PHE 23 2HE PHE 23 0.119 7.438 -6.091
164 HZ PHE 23 HZ PHE 23 -0.539 5.595 -7.587
165 H TYR 24 H TYR 24 -1.042 6.213 0.265
166 HA TYR 24 HA TYR 24 -3.227 5.371 2.044
167 HB2 TYR 24 2HB TYR 24 -0.839 4.343 2.494
168 HB3 TYR 24 1HB TYR 24 -0.531 5.915 3.222
169 HD1 TYR 24 1HD TYR 24 -3.250 3.337 3.266
170 HD2 TYR 24 2HD TYR 24 -0.829 6.032 5.500
171 HE1 TYR 24 1HE TYR 24 -4.331 2.581 5.338
172 HE2 TYR 24 2HE TYR 24 -1.903 5.281 7.578
173 HH TYR 24 HH TYR 24 -4.205 4.216 8.181
174 HA PRO 25 HA PRO 25 -3.732 9.761 2.469
175 HB2 PRO 25 2HB PRO 25 -5.320 9.800 4.670
176 HB3 PRO 25 1HB PRO 25 -5.903 9.343 3.065
177 HG2 PRO 25 2HG PRO 25 -5.082 7.594 5.353
178 HG3 PRO 25 1HG PRO 25 -6.470 7.432 4.262
179 HD2 PRO 25 2HD PRO 25 -4.206 5.978 3.965
180 HD3 PRO 25 1HD PRO 25 -5.204 6.483 2.587
181 H CYS 26 H CYS 26 -2.336 11.200 3.251
182 HA CYS 26 HA CYS 26 -0.937 10.616 5.756
183 HB2 CYS 26 2HB CYS 26 0.015 11.467 3.322
184 HB3 CYS 26 1HB CYS 26 -0.070 12.971 4.235
185 HA PRO 27 HA PRO 27 -3.232 13.661 7.996
186 HB2 PRO 27 2HB PRO 27 -1.351 14.347 9.859
187 HB3 PRO 27 1HB PRO 27 -2.313 12.867 9.930
188 HG2 PRO 27 2HG PRO 27 0.486 13.260 8.951
189 HG3 PRO 27 1HG PRO 27 -0.181 11.948 9.941
190 HD2 PRO 27 2HD PRO 27 0.272 11.657 7.302
191 HD3 PRO 27 1HD PRO 27 -1.094 10.865 8.116
192 H CYS 28 H CYS 28 -0.200 14.410 6.455
193 HA CYS 28 HA CYS 28 -0.243 17.208 7.072
194 HB2 CYS 28 2HB CYS 28 1.613 17.394 5.510
195 HB3 CYS 28 1HB CYS 28 1.856 16.015 6.575
196 H GLY 29 H GLY 29 -1.219 15.228 4.280
197 HA2 GLY 29 2HA GLY 29 -3.355 16.670 3.441
198 HA3 GLY 29 1HA GLY 29 -2.006 17.540 2.734
199 H ASP 30 H ASP 30 -0.323 15.728 1.813
200 HA ASP 30 HA ASP 30 -1.726 14.598 -0.419
201 HB2 ASP 30 2HB ASP 30 0.911 15.414 0.133
202 HB3 ASP 30 1HB ASP 30 1.008 13.693 -0.217
203 H ASN 31 H ASN 31 -0.658 12.239 -1.061
204 HA ASN 31 HA ASN 31 -1.124 10.483 1.252
205 HB2 ASN 31 2HB ASN 31 -2.153 9.912 -1.531
206 HB3 ASN 31 1HB ASN 31 -2.479 8.998 -0.064
207 HD21 ASN 31 1HD2 ASN 31 -3.932 10.905 -2.162
208 HD22 ASN 31 2HD2 ASN 31 -5.052 11.732 -1.140
209 H PHE 32 H PHE 32 0.029 8.592 1.343
210 HA PHE 32 HA PHE 32 2.556 8.522 0.058
211 HB2 PHE 32 2HB PHE 32 1.054 6.470 1.696
212 HB3 PHE 32 1HB PHE 32 2.685 6.208 1.097
213 HD1 PHE 32 2HD PHE 32 4.443 8.010 1.769
214 HD2 PHE 32 1HD PHE 32 0.740 7.414 3.778
215 HE1 PHE 32 2HE PHE 32 5.359 9.094 3.775
216 HE2 PHE 32 1HE PHE 32 1.653 8.495 5.790
217 HZ PHE 32 HZ PHE 32 3.967 9.335 5.790
218 H SER 33 H SER 33 3.340 6.470 -1.106
219 HA SER 33 HA SER 33 1.336 5.121 -2.707
220 HB2 SER 33 2HB SER 33 2.607 5.778 -4.851
221 HB3 SER 33 1HB SER 33 1.527 6.977 -4.143
222 HG SER 33 HG SER 33 3.178 8.226 -3.796
223 H ILE 34 H ILE 34 1.977 3.156 -3.440
224 HA ILE 34 HA ILE 34 4.784 2.422 -3.539
225 HB ILE 34 HB ILE 34 4.262 2.015 -1.182
226 HG12 ILE 34 2HG1 ILE 34 4.314 -0.713 -2.429
227 HG13 ILE 34 1HG1 ILE 34 5.653 0.397 -2.705
228 HG21 ILE 34 1HG2 ILE 34 2.357 -0.167 -1.781
229 HG22 ILE 34 2HG2 ILE 34 1.750 1.482 -1.927
230 HG23 ILE 34 3HG2 ILE 34 2.434 0.927 -0.400
231 HD11 ILE 34 3HD1 ILE 34 4.836 0.100 0.096
232 HD12 ILE 34 1HD1 ILE 34 6.445 0.156 -0.625
233 HD13 ILE 34 2HD1 ILE 34 5.516 -1.342 -0.658
234 H THR 35 H THR 35 5.064 1.195 -5.301
235 HA THR 35 HA THR 35 2.839 0.208 -6.795
236 HB THR 35 HB THR 35 4.495 -0.625 -8.376
237 HG1 THR 35 1HG THR 35 6.497 0.154 -6.529
238 HG21 THR 35 3HG2 THR 35 4.053 1.830 -8.323
239 HG22 THR 35 1HG2 THR 35 5.623 1.371 -8.980
240 HG23 THR 35 2HG2 THR 35 5.508 2.007 -7.340
241 H LYS 36 H LYS 36 2.357 -1.953 -7.371
242 HA LYS 36 HA LYS 36 2.316 -3.787 -5.246
243 HB2 LYS 36 2HB LYS 36 0.684 -3.814 -7.087
244 HB3 LYS 36 1HB LYS 36 1.948 -4.310 -8.204
245 HG2 LYS 36 2HG LYS 36 1.068 -6.345 -7.783
246 HG3 LYS 36 1HG LYS 36 2.191 -6.279 -6.424
247 HD2 LYS 36 2HD LYS 36 0.419 -5.521 -4.957
248 HD3 LYS 36 1HD LYS 36 -0.712 -5.464 -6.310
249 HE2 LYS 36 2HE LYS 36 0.693 -7.968 -5.395
250 HE3 LYS 36 1HE LYS 36 -0.912 -7.489 -4.846
251 HZ1 LYS 36 3HZ LYS 36 -1.313 -8.934 -6.606
252 HZ2 LYS 36 1HZ LYS 36 -0.061 -8.303 -7.555
253 HZ3 LYS 36 2HZ LYS 36 -1.476 -7.410 -7.321
254 H GLU 37 H GLU 37 4.475 -3.484 -8.024
255 HA GLU 37 HA GLU 37 5.864 -5.902 -7.743
256 HB2 GLU 37 2HB GLU 37 5.921 -4.097 -9.633
257 HB3 GLU 37 1HB GLU 37 7.230 -3.405 -8.687
258 HG2 GLU 37 2HG GLU 37 8.489 -5.465 -8.867
259 HG3 GLU 37 1HG GLU 37 7.160 -6.225 -9.741
260 H ASP 38 H ASP 38 6.349 -2.748 -6.210
261 HA ASP 38 HA ASP 38 8.843 -3.187 -5.034
262 HB2 ASP 38 2HB ASP 38 6.500 -1.444 -4.379
263 HB3 ASP 38 1HB ASP 38 7.771 -1.618 -3.174
264 H LEU 39 H LEU 39 5.592 -3.854 -3.767
265 HA LEU 39 HA LEU 39 6.397 -4.892 -1.283
266 HB2 LEU 39 2HB LEU 39 3.951 -5.695 -2.852
267 HB3 LEU 39 1HB LEU 39 4.179 -5.826 -1.118
268 HG LEU 39 HG LEU 39 4.300 -3.133 -2.421
269 HD11 LEU 39 1HD1 LEU 39 1.783 -4.599 -1.653
270 HD12 LEU 39 2HD1 LEU 39 2.263 -4.117 -3.280
271 HD13 LEU 39 3HD1 LEU 39 1.886 -2.889 -2.071
272 HD21 LEU 39 3HD2 LEU 39 4.905 -3.615 0.006
273 HD22 LEU 39 1HD2 LEU 39 3.186 -3.917 0.257
274 HD23 LEU 39 2HD2 LEU 39 3.732 -2.331 -0.289
275 H GLU 40 H GLU 40 5.697 -6.526 -4.368
276 HA GLU 40 HA GLU 40 6.101 -9.156 -3.488
277 HB2 GLU 40 2HB GLU 40 6.568 -7.973 -6.227
278 HB3 GLU 40 1HB GLU 40 6.497 -9.694 -5.875
279 HG2 GLU 40 2HG GLU 40 4.208 -9.599 -5.349
280 HG3 GLU 40 1HG GLU 40 4.222 -7.839 -5.252
281 H ASN 41 H ASN 41 8.408 -6.659 -4.295
282 HA ASN 41 HA ASN 41 10.627 -8.536 -4.433
283 HB2 ASN 41 2HB ASN 41 10.241 -5.646 -5.012
284 HB3 ASN 41 1HB ASN 41 11.852 -6.152 -4.515
285 HD21 ASN 41 1HD2 ASN 41 9.252 -7.160 -6.712
286 HD22 ASN 41 2HD2 ASN 41 10.297 -7.590 -8.019
287 H GLY 42 H GLY 42 9.389 -6.038 -2.255
288 HA2 GLY 42 2HA GLY 42 9.901 -6.811 0.159
289 HA3 GLY 42 1HA GLY 42 11.568 -6.617 -0.362
290 H GLU 43 H GLU 43 10.009 -4.268 -2.018
291 HA GLU 43 HA GLU 43 10.892 -2.198 -0.245
292 HB2 GLU 43 2HB GLU 43 9.614 -2.262 -2.962
293 HB3 GLU 43 1HB GLU 43 9.709 -0.750 -2.071
294 HG2 GLU 43 2HG GLU 43 12.019 -2.487 -2.899
295 HG3 GLU 43 1HG GLU 43 11.552 -0.940 -3.608
296 H ASP 44 H ASP 44 9.548 -2.743 1.556
297 HA ASP 44 HA ASP 44 6.675 -2.304 1.320
298 HB2 ASP 44 2HB ASP 44 8.212 -2.917 3.848
299 HB3 ASP 44 1HB ASP 44 6.501 -3.162 3.537
300 H VAL 45 H VAL 45 8.397 -0.013 0.846
301 HA VAL 45 HA VAL 45 7.667 1.680 3.150
302 HB VAL 45 HB VAL 45 10.104 1.396 3.038
303 HG11 VAL 45 1HG1 VAL 45 10.254 2.941 0.495
304 HG12 VAL 45 2HG1 VAL 45 9.965 1.203 0.422
305 HG13 VAL 45 3HG1 VAL 45 11.417 1.823 1.208
306 HG21 VAL 45 3HG2 VAL 45 10.475 4.040 2.430
307 HG22 VAL 45 1HG2 VAL 45 9.935 3.421 3.990
308 HG23 VAL 45 2HG2 VAL 45 8.755 3.985 2.807
309 H ALA 46 H ALA 46 6.484 3.461 2.758
310 HA ALA 46 HA ALA 46 6.063 4.245 -0.056
311 HB1 ALA 46 1HB ALA 46 3.841 4.419 0.275
312 HB2 ALA 46 2HB ALA 46 4.022 5.024 1.920
313 HB3 ALA 46 3HB ALA 46 4.155 3.295 1.596
314 H THR 47 H THR 47 6.572 6.272 -0.625
315 HA THR 47 HA THR 47 7.255 8.175 1.513
316 HB THR 47 HB THR 47 8.115 8.410 -1.366
317 HG1 THR 47 1HG THR 47 9.851 7.173 -0.950
318 HG21 THR 47 3HG2 THR 47 10.134 9.251 0.353
319 HG22 THR 47 1HG2 THR 47 8.644 9.907 1.029
320 HG23 THR 47 2HG2 THR 47 9.083 10.259 -0.643
321 H CYS 48 H CYS 48 6.182 10.050 1.710
322 HA CYS 48 HA CYS 48 3.915 10.532 -0.036
323 HB2 CYS 48 2HB CYS 48 3.615 10.724 2.388
324 HB3 CYS 48 1HB CYS 48 4.839 11.987 2.454
325 HA PRO 49 HA PRO 49 6.136 13.608 -2.364
326 HB2 PRO 49 2HB PRO 49 4.131 14.390 -3.977
327 HB3 PRO 49 1HB PRO 49 4.897 12.807 -4.131
328 HG2 PRO 49 2HG PRO 49 2.271 13.534 -2.934
329 HG3 PRO 49 1HG PRO 49 2.731 12.084 -3.841
330 HD2 PRO 49 2HD PRO 49 2.523 12.278 -1.066
331 HD3 PRO 49 1HD PRO 49 3.366 10.996 -1.955
332 H SER 50 H SER 50 5.226 14.481 0.231
333 HA SER 50 HA SER 50 4.905 17.300 -0.353
334 HB2 SER 50 2HB SER 50 2.736 15.644 0.722
335 HB3 SER 50 1HB SER 50 3.108 17.045 1.731
336 HG SER 50 HG SER 50 1.562 17.193 -0.207
337 H CYS 51 H CYS 51 4.774 15.006 2.391
338 HA CYS 51 HA CYS 51 6.499 16.788 3.929
339 HB2 CYS 51 2HB CYS 51 5.960 15.401 5.840
340 HB3 CYS 51 1HB CYS 51 4.480 15.839 4.992
341 H SER 52 H SER 52 6.725 13.873 2.091
342 HA SER 52 HA SER 52 8.477 12.529 1.557
343 HB2 SER 52 2HB SER 52 10.284 14.334 3.167
344 HB3 SER 52 1HB SER 52 10.709 13.315 1.792
345 HG SER 52 HG SER 52 9.453 15.808 1.853
346 H LEU 53 H LEU 53 6.888 11.945 3.818
347 HA LEU 53 HA LEU 53 8.677 10.986 5.898
348 HB2 LEU 53 2HB LEU 53 6.462 12.037 6.392
349 HB3 LEU 53 1HB LEU 53 5.686 10.662 5.633
350 HG LEU 53 HG LEU 53 6.659 9.181 7.356
351 HD11 LEU 53 1HD1 LEU 53 8.546 10.025 8.272
352 HD12 LEU 53 2HD1 LEU 53 7.407 10.687 9.445
353 HD13 LEU 53 3HD1 LEU 53 8.001 11.696 8.127
354 HD21 LEU 53 3HD2 LEU 53 4.789 11.395 7.928
355 HD22 LEU 53 1HD2 LEU 53 5.384 10.485 9.315
356 HD23 LEU 53 2HD2 LEU 53 4.545 9.651 8.007
357 H ILE 54 H ILE 54 8.541 8.721 6.643
358 HA ILE 54 HA ILE 54 8.159 6.878 4.374
359 HB ILE 54 HB ILE 54 9.831 5.403 5.471
360 HG12 ILE 54 2HG1 ILE 54 10.241 7.782 7.301
361 HG13 ILE 54 1HG1 ILE 54 9.595 6.214 7.773
362 HG21 ILE 54 1HG2 ILE 54 11.696 6.497 4.597
363 HG22 ILE 54 2HG2 ILE 54 11.085 8.092 5.033
364 HG23 ILE 54 3HG2 ILE 54 10.344 7.197 3.706
365 HD11 ILE 54 3HD1 ILE 54 12.139 6.907 8.120
366 HD12 ILE 54 1HD1 ILE 54 12.259 6.222 6.500
367 HD13 ILE 54 2HD1 ILE 54 11.631 5.244 7.826
368 H ILE 55 H ILE 55 7.082 4.950 4.706
369 HA ILE 55 HA ILE 55 6.094 4.330 7.387
370 HB ILE 55 HB ILE 55 3.787 3.978 6.556
371 HG12 ILE 55 2HG1 ILE 55 4.528 5.631 4.147
372 HG13 ILE 55 1HG1 ILE 55 4.576 3.871 4.102
373 HG21 ILE 55 1HG2 ILE 55 4.673 6.825 6.137
374 HG22 ILE 55 2HG2 ILE 55 4.525 6.064 7.722
375 HG23 ILE 55 3HG2 ILE 55 3.101 6.253 6.699
376 HD11 ILE 55 3HD1 ILE 55 2.263 3.694 4.406
377 HD12 ILE 55 1HD1 ILE 55 2.476 5.006 3.248
378 HD13 ILE 55 2HD1 ILE 55 2.119 5.370 4.935
379 H LYS 56 H LYS 56 5.541 2.150 7.703
380 HA LYS 56 HA LYS 56 6.649 0.358 5.681
381 HB2 LYS 56 2HB LYS 56 7.426 0.143 8.020
382 HB3 LYS 56 1HB LYS 56 5.784 -0.239 8.517
383 HG2 LYS 56 2HG LYS 56 6.994 -2.279 8.367
384 HG3 LYS 56 1HG LYS 56 5.865 -2.228 7.013
385 HD2 LYS 56 2HD LYS 56 7.712 -2.849 5.851
386 HD3 LYS 56 1HD LYS 56 7.996 -1.107 5.841
387 HE2 LYS 56 2HE LYS 56 9.300 -1.476 8.001
388 HE3 LYS 56 1HE LYS 56 9.241 -3.195 7.609
389 HZ1 LYS 56 3HZ LYS 56 11.277 -1.954 6.856
390 HZ2 LYS 56 1HZ LYS 56 10.296 -1.165 5.724
391 HZ3 LYS 56 2HZ LYS 56 10.482 -2.844 5.657
392 H VAL 57 H VAL 57 5.569 -1.077 4.552
393 HA VAL 57 HA VAL 57 2.653 -1.123 4.888
394 HB VAL 57 HB VAL 57 3.840 -2.164 2.378
395 HG11 VAL 57 1HG1 VAL 57 1.917 -0.894 1.447
396 HG12 VAL 57 2HG1 VAL 57 1.518 -0.390 3.089
397 HG13 VAL 57 3HG1 VAL 57 1.457 -2.097 2.652
398 HG21 VAL 57 3HG2 VAL 57 4.277 0.610 3.323
399 HG22 VAL 57 1HG2 VAL 57 3.711 0.420 1.664
400 HG23 VAL 57 2HG2 VAL 57 5.204 -0.360 2.180
401 H ILE 58 H ILE 58 1.930 -2.875 5.896
402 HA ILE 58 HA ILE 58 3.445 -5.365 5.781
403 HB ILE 58 HB ILE 58 0.920 -4.832 7.346
404 HG12 ILE 58 2HG1 ILE 58 2.684 -3.219 7.972
405 HG13 ILE 58 1HG1 ILE 58 2.343 -4.355 9.272
406 HG21 ILE 58 1HG2 ILE 58 3.007 -6.990 7.403
407 HG22 ILE 58 2HG2 ILE 58 1.259 -7.147 7.224
408 HG23 ILE 58 3HG2 ILE 58 1.948 -6.681 8.779
409 HD11 ILE 58 3HD1 ILE 58 4.823 -3.739 8.094
410 HD12 ILE 58 1HD1 ILE 58 4.445 -5.408 7.664
411 HD13 ILE 58 2HD1 ILE 58 4.476 -4.918 9.358
412 H TYR 59 H TYR 59 2.811 -7.167 4.727
413 HA TYR 59 HA TYR 59 0.098 -7.423 3.707
414 HB2 TYR 59 2HB TYR 59 0.929 -7.812 1.376
415 HB3 TYR 59 1HB TYR 59 1.130 -6.153 1.929
416 HD1 TYR 59 2HD TYR 59 2.943 -9.360 1.492
417 HD2 TYR 59 1HD TYR 59 3.254 -5.136 1.899
418 HE1 TYR 59 2HE TYR 59 5.338 -9.495 0.973
419 HE2 TYR 59 1HE TYR 59 5.654 -5.245 1.380
420 HH TYR 59 HH TYR 59 7.142 -7.175 -0.050
421 H ASP 60 H ASP 60 0.152 -9.557 2.180
422 HA ASP 60 HA ASP 60 1.228 -11.638 3.912
423 HB2 ASP 60 2HB ASP 60 -1.173 -11.510 2.820
424 HB3 ASP 60 1HB ASP 60 -0.356 -12.235 1.440
425 H LYS 61 H LYS 61 3.374 -11.916 3.515
426 HA LYS 61 HA LYS 61 4.627 -11.693 1.009
427 HB2 LYS 61 2HB LYS 61 5.426 -13.045 3.572
428 HB3 LYS 61 1HB LYS 61 6.440 -13.142 2.140
429 HG2 LYS 61 2HG LYS 61 5.575 -10.430 2.879
430 HG3 LYS 61 1HG LYS 61 6.645 -11.230 4.033
431 HD2 LYS 61 2HD LYS 61 7.899 -11.803 1.698
432 HD3 LYS 61 1HD LYS 61 7.195 -10.230 1.314
433 HE2 LYS 61 2HE LYS 61 8.178 -9.465 3.556
434 HE3 LYS 61 1HE LYS 61 9.143 -10.939 3.486
435 HZ1 LYS 61 3HZ LYS 61 10.461 -9.278 2.532
436 HZ2 LYS 61 1HZ LYS 61 9.183 -8.634 1.630
437 HZ3 LYS 61 2HZ LYS 61 9.849 -10.131 1.206
438 H ASP 62 H ASP 62 2.990 -14.380 2.557
439 HA ASP 62 HA ASP 62 3.979 -16.450 0.903
440 HB2 ASP 62 2HB ASP 62 2.462 -16.435 3.124
441 HB3 ASP 62 1HB ASP 62 1.192 -16.642 1.923
442 H GLN 63 H GLN 63 1.343 -14.149 0.561
443 HA GLN 63 HA GLN 63 0.328 -15.406 -1.845
444 HB2 GLN 63 2HB GLN 63 -0.413 -12.841 -0.429
445 HB3 GLN 63 1HB GLN 63 -1.217 -13.434 -1.874
446 HG2 GLN 63 2HG GLN 63 -1.042 -15.332 0.373
447 HG3 GLN 63 1HG GLN 63 -2.062 -13.917 0.628
448 HE21 GLN 63 1HE2 GLN 63 -4.090 -14.568 0.379
449 HE22 GLN 63 2HE2 GLN 63 -4.694 -15.495 -0.947
450 H PHE 64 H PHE 64 2.007 -12.383 -0.988
451 HA PHE 64 HA PHE 64 2.139 -11.353 -3.615
452 HB2 PHE 64 2HB PHE 64 3.565 -10.757 -1.052
453 HB3 PHE 64 1HB PHE 64 4.179 -10.068 -2.550
454 HD1 PHE 64 1HD PHE 64 0.994 -10.410 -0.637
455 HD2 PHE 64 2HD PHE 64 3.359 -8.036 -3.261
456 HE1 PHE 64 1HE PHE 64 -0.658 -8.597 -0.478
457 HE2 PHE 64 2HE PHE 64 1.711 -6.218 -3.107
458 HZ PHE 64 HZ PHE 64 -0.301 -6.496 -1.713
459 H VAL 65 H VAL 65 4.614 -13.067 -1.679
460 HA VAL 65 HA VAL 65 6.434 -13.181 -3.905
461 HB VAL 65 HB VAL 65 6.606 -14.727 -1.313
462 HG11 VAL 65 1HG1 VAL 65 8.745 -15.273 -1.859
463 HG12 VAL 65 2HG1 VAL 65 8.998 -13.810 -2.808
464 HG13 VAL 65 3HG1 VAL 65 8.084 -15.157 -3.490
465 HG21 VAL 65 3HG2 VAL 65 7.312 -11.900 -1.983
466 HG22 VAL 65 1HG2 VAL 65 8.253 -12.785 -0.782
467 HG23 VAL 65 2HG2 VAL 65 6.522 -12.547 -0.546
468 H SER 66 H SER 66 4.954 -14.196 -5.410
469 HA SER 66 HA SER 66 5.456 -16.958 -5.708
470 HB2 SER 66 2HB SER 66 3.485 -16.698 -3.930
471 HB3 SER 66 1HB SER 66 2.519 -16.530 -5.396
472 HG SER 66 HG SER 66 2.591 -18.686 -4.937
473 H GLY 67 H GLY 67 6.104 -16.362 -7.760
474 HA2 GLY 67 2HA GLY 67 4.779 -16.686 -9.969
475 HA3 GLY 67 1HA GLY 67 4.096 -15.129 -9.519
476 H GLU 68 H GLU 68 5.975 -13.521 -8.824
477 HA GLU 68 HA GLU 68 7.769 -13.433 -11.137
478 HB2 GLU 68 2HB GLU 68 6.854 -11.325 -9.179
479 HB3 GLU 68 1HB GLU 68 8.120 -11.036 -10.365
480 HG2 GLU 68 2HG GLU 68 5.651 -12.164 -11.469
481 HG3 GLU 68 1HG GLU 68 5.480 -10.559 -10.759
482 H THR 69 H THR 69 8.338 -15.212 -8.889
483 HA THR 69 HA THR 69 10.995 -14.182 -8.220
484 HB THR 69 HB THR 69 9.128 -15.447 -6.197
485 HG1 THR 69 1HG THR 69 8.468 -13.392 -6.341
486 HG21 THR 69 3HG2 THR 69 11.931 -14.404 -5.922
487 HG22 THR 69 1HG2 THR 69 11.346 -16.036 -5.598
488 HG23 THR 69 2HG2 THR 69 10.853 -14.698 -4.558
489 H VAL 70 H VAL 70 12.443 -15.612 -8.917
490 HA VAL 70 HA VAL 70 11.668 -18.443 -9.127
491 HB VAL 70 HB VAL 70 14.015 -17.099 -10.478
492 HG11 VAL 70 1HG1 VAL 70 12.621 -19.720 -11.016
493 HG12 VAL 70 2HG1 VAL 70 14.208 -19.520 -10.272
494 HG13 VAL 70 3HG1 VAL 70 13.957 -19.051 -11.953
495 HG21 VAL 70 3HG2 VAL 70 11.154 -17.316 -11.294
496 HG22 VAL 70 1HG2 VAL 70 12.411 -17.410 -12.528
497 HG23 VAL 70 2HG2 VAL 70 12.287 -15.981 -11.502
498 HA PRO 71 HA PRO 71 14.329 -19.594 -5.766
499 HB2 PRO 71 2HB PRO 71 14.876 -22.034 -7.376
500 HB3 PRO 71 1HB PRO 71 14.266 -21.889 -5.724
501 HG2 PRO 71 2HG PRO 71 12.639 -22.576 -7.718
502 HG3 PRO 71 1HG PRO 71 12.091 -21.502 -6.417
503 HD2 PRO 71 2HD PRO 71 12.903 -20.831 -9.217
504 HD3 PRO 71 1HD PRO 71 11.595 -20.149 -8.226
505 H ALA 72 H ALA 72 16.541 -19.924 -5.251
506 HA ALA 72 HA ALA 72 18.807 -19.834 -5.502
507 HB1 ALA 72 1HB ALA 72 18.791 -19.865 -8.458
508 HB2 ALA 72 2HB ALA 72 18.141 -21.291 -7.649
509 HB3 ALA 72 3HB ALA 72 19.792 -20.765 -7.318
510 HA PRO 73 HA PRO 73 19.568 -15.547 -6.215
511 HB2 PRO 73 2HB PRO 73 22.234 -15.475 -6.711
512 HB3 PRO 73 1HB PRO 73 21.564 -15.796 -5.108
513 HG2 PRO 73 2HG PRO 73 22.609 -17.724 -7.146
514 HG3 PRO 73 1HG PRO 73 22.867 -17.701 -5.392
515 HD2 PRO 73 2HD PRO 73 21.071 -19.342 -6.589
516 HD3 PRO 73 1HD PRO 73 20.833 -18.693 -4.954
517 H SER 74 H SER 74 19.407 -14.107 -7.844
518 HA SER 74 HA SER 74 19.851 -15.102 -10.567
519 HB2 SER 74 2HB SER 74 17.581 -14.207 -9.838
520 HB3 SER 74 1HB SER 74 18.328 -12.611 -9.789
521 HG SER 74 HG SER 74 17.638 -14.185 -11.960
522 H ALA 75 H ALA 75 21.697 -14.533 -11.504
523 HA ALA 75 HA ALA 75 23.117 -12.134 -10.630
524 HB1 ALA 75 1HB ALA 75 24.800 -13.197 -12.404
525 HB2 ALA 75 2HB ALA 75 23.864 -14.641 -12.021
526 HB3 ALA 75 3HB ALA 75 24.694 -13.762 -10.737
527 H ASN 76 H ASN 76 24.225 -10.822 -12.364
528 HA ASN 76 HA ASN 76 22.262 -10.161 -14.430
529 HB2 ASN 76 2HB ASN 76 24.552 -8.643 -13.200
530 HB3 ASN 76 1HB ASN 76 23.758 -8.085 -14.668
531 HD21 ASN 76 1HD2 ASN 76 23.844 -6.672 -12.222
532 HD22 ASN 76 2HD2 ASN 76 22.225 -6.524 -11.640
533 H LYS 77 H LYS 77 25.652 -11.068 -14.069
534 HA LYS 77 HA LYS 77 27.175 -11.927 -15.514
535 HB2 LYS 77 2HB LYS 77 24.610 -12.465 -16.911
536 HB3 LYS 77 1HB LYS 77 26.074 -12.579 -17.875
537 HG2 LYS 77 2HG LYS 77 26.027 -13.979 -15.257
538 HG3 LYS 77 1HG LYS 77 25.070 -14.654 -16.579
539 HD2 LYS 77 2HD LYS 77 27.968 -13.914 -16.910
540 HD3 LYS 77 1HD LYS 77 27.466 -15.500 -16.320
541 HE2 LYS 77 2HE LYS 77 26.150 -14.538 -18.787
542 HE3 LYS 77 1HE LYS 77 27.864 -14.932 -18.922
543 HZ1 LYS 77 3HZ LYS 77 25.954 -16.729 -19.224
544 HZ2 LYS 77 1HZ LYS 77 26.175 -16.879 -17.554
545 HZ3 LYS 77 2HZ LYS 77 27.478 -17.123 -18.604
546 H GLU 78 H GLU 78 28.573 -10.346 -16.017
547 HA GLU 78 HA GLU 78 28.025 -8.752 -18.422
548 HB2 GLU 78 2HB GLU 78 27.824 -7.613 -15.964
549 HB3 GLU 78 1HB GLU 78 29.533 -7.365 -16.289
550 HG2 GLU 78 2HG GLU 78 29.146 -5.810 -17.853
551 HG3 GLU 78 1HG GLU 78 27.749 -6.661 -18.507
552 H LEU 79 H LEU 79 29.506 -9.629 -19.786
553 HA LEU 79 HA LEU 79 32.301 -9.192 -19.204
554 HB2 LEU 79 2HB LEU 79 33.046 -11.461 -19.564
555 HB3 LEU 79 1HB LEU 79 31.930 -11.409 -18.215
556 HG LEU 79 HG LEU 79 30.382 -12.004 -20.507
557 HD11 LEU 79 1HD1 LEU 79 32.346 -14.182 -20.375
558 HD12 LEU 79 2HD1 LEU 79 32.927 -12.705 -21.145
559 HD13 LEU 79 3HD1 LEU 79 31.483 -13.509 -21.759
560 HD21 LEU 79 3HD2 LEU 79 31.342 -13.911 -18.384
561 HD22 LEU 79 1HD2 LEU 79 29.841 -13.985 -19.305
562 HD23 LEU 79 2HD2 LEU 79 30.082 -12.708 -18.113
563 H VAL 80 H VAL 80 30.707 -7.943 -21.055
564 HA VAL 80 HA VAL 80 31.531 -9.113 -23.629
565 HB VAL 80 HB VAL 80 29.378 -7.037 -23.196
566 HG11 VAL 80 1HG1 VAL 80 28.692 -8.016 -25.495
567 HG12 VAL 80 2HG1 VAL 80 30.360 -8.586 -25.561
568 HG13 VAL 80 3HG1 VAL 80 30.022 -6.860 -25.415
569 HG21 VAL 80 3HG2 VAL 80 28.570 -9.753 -23.974
570 HG22 VAL 80 1HG2 VAL 80 27.815 -8.619 -22.854
571 HG23 VAL 80 2HG2 VAL 80 29.179 -9.605 -22.327
572 H LYS 81 H LYS 81 32.379 -7.727 -25.250
573 HA LYS 81 HA LYS 81 33.702 -6.096 -26.100
574 HB2 LYS 81 2HB LYS 81 32.069 -4.569 -24.120
575 HB3 LYS 81 1HB LYS 81 33.475 -3.781 -24.817
576 HG2 LYS 81 2HG LYS 81 32.590 -3.828 -26.970
577 HG3 LYS 81 1HG LYS 81 31.415 -5.079 -26.561
578 HD2 LYS 81 2HD LYS 81 29.956 -3.596 -25.633
579 HD3 LYS 81 1HD LYS 81 31.236 -2.522 -25.069
580 HE2 LYS 81 2HE LYS 81 31.270 -1.330 -26.992
581 HE3 LYS 81 1HE LYS 81 30.932 -2.737 -27.996
582 HZ1 LYS 81 3HZ LYS 81 29.088 -1.223 -28.075
583 HZ2 LYS 81 1HZ LYS 81 28.960 -1.200 -26.388
584 HZ3 LYS 81 2HZ LYS 81 28.603 -2.614 -27.246
585 H LEU 82 H LEU 82 35.479 -7.408 -25.332
586 HA LEU 82 HA LEU 82 37.203 -5.908 -23.522
587 HB2 LEU 82 2HB LEU 82 35.831 -7.908 -22.418
588 HB3 LEU 82 1HB LEU 82 37.130 -8.859 -23.110
589 HG LEU 82 HG LEU 82 37.810 -6.491 -21.414
590 HD11 LEU 82 1HD1 LEU 82 36.041 -8.097 -20.345
591 HD12 LEU 82 2HD1 LEU 82 37.436 -7.550 -19.414
592 HD13 LEU 82 3HD1 LEU 82 37.434 -9.158 -20.140
593 HD21 LEU 82 3HD2 LEU 82 39.786 -7.745 -20.939
594 HD22 LEU 82 1HD2 LEU 82 39.530 -7.790 -22.683
595 HD23 LEU 82 2HD2 LEU 82 39.118 -9.192 -21.693
596 H GLU 83 H GLU 83 37.856 -5.592 -25.901
597 HA GLU 83 HA GLU 83 39.431 -5.825 -27.517
598 HB2 GLU 83 2HB GLU 83 40.616 -7.343 -25.248
599 HB3 GLU 83 1HB GLU 83 41.348 -7.544 -26.835
600 HG2 GLU 83 2HG GLU 83 40.830 -4.805 -25.769
601 HG3 GLU 83 1HG GLU 83 42.229 -5.722 -25.214
602 H HIS 84 H HIS 84 40.504 -7.417 -29.021
603 HA HIS 84 HA HIS 84 39.734 -10.105 -29.181
604 HB2 HIS 84 2HB HIS 84 38.089 -10.013 -31.022
605 HB3 HIS 84 1HB HIS 84 37.471 -9.274 -29.551
606 HD1 HIS 84 1HD HIS 84 36.679 -6.895 -29.718
607 HD2 HIS 84 2HD HIS 84 38.838 -8.095 -33.060
608 HE1 HIS 84 1HE HIS 84 36.416 -5.036 -31.392
609 HE2 HIS 84 2HE HIS 84 37.685 -5.809 -33.427
Start of MODEL 17
1 H1 MET 1 1HT MET 1 21.223 8.625 10.431
2 H2 MET 1 2HT MET 1 20.238 9.993 10.110
3 H3 MET 1 3HT MET 1 20.249 8.667 9.022
4 HA MET 1 HA MET 1 19.416 7.274 10.867
5 HB2 MET 1 2HB MET 1 19.309 10.021 12.081
6 HB3 MET 1 1HB MET 1 18.145 8.796 12.567
7 HG2 MET 1 2HG MET 1 21.050 8.143 12.612
8 HG3 MET 1 1HG MET 1 20.363 9.137 13.894
9 HE1 MET 1 2HE MET 1 20.030 8.417 15.747
10 HE2 MET 1 3HE MET 1 20.197 6.738 16.260
11 HE3 MET 1 1HE MET 1 18.594 7.453 16.087
12 H ALA 2 H ALA 2 17.260 6.713 10.670
13 HA ALA 2 HA ALA 2 15.237 8.491 9.757
14 HB1 ALA 2 1HB ALA 2 16.627 8.161 7.674
15 HB2 ALA 2 2HB ALA 2 14.915 7.764 7.524
16 HB3 ALA 2 3HB ALA 2 16.107 6.477 7.695
17 H VAL 3 H VAL 3 14.004 7.605 11.397
18 HA VAL 3 HA VAL 3 13.523 4.727 11.402
19 HB VAL 3 HB VAL 3 12.109 5.219 13.425
20 HG11 VAL 3 1HG1 VAL 3 14.132 4.412 14.075
21 HG12 VAL 3 2HG1 VAL 3 14.257 6.032 14.759
22 HG13 VAL 3 3HG1 VAL 3 15.033 5.662 13.219
23 HG21 VAL 3 3HG2 VAL 3 13.406 7.894 13.610
24 HG22 VAL 3 1HG2 VAL 3 11.916 7.306 14.350
25 HG23 VAL 3 2HG2 VAL 3 11.944 7.728 12.637
26 H PHE 4 H PHE 4 11.549 3.765 11.034
27 HA PHE 4 HA PHE 4 9.835 5.013 9.157
28 HB2 PHE 4 2HB PHE 4 9.947 2.401 10.555
29 HB3 PHE 4 1HB PHE 4 8.364 2.895 9.966
30 HD1 PHE 4 2HD PHE 4 11.878 2.966 8.679
31 HD2 PHE 4 1HD PHE 4 7.796 2.018 7.939
32 HE1 PHE 4 2HE PHE 4 12.473 2.177 6.426
33 HE2 PHE 4 1HE PHE 4 8.385 1.226 5.686
34 HZ PHE 4 HZ PHE 4 10.725 1.305 4.926
35 H HIS 5 H HIS 5 7.814 5.894 9.353
36 HA HIS 5 HA HIS 5 7.134 7.090 11.838
37 HB2 HIS 5 2HB HIS 5 6.626 7.895 9.418
38 HB3 HIS 5 1HB HIS 5 5.212 6.857 9.536
39 HD1 HIS 5 1HD HIS 5 5.340 7.927 12.815
40 HD2 HIS 5 2HD HIS 5 4.497 9.913 9.260
41 HE1 HIS 5 1HE HIS 5 4.026 9.963 13.477
42 HE2 HIS 5 2HE HIS 5 3.579 11.182 11.317
43 H ASP 6 H ASP 6 5.219 4.806 9.853
44 HA ASP 6 HA ASP 6 4.534 3.238 12.175
45 HB2 ASP 6 2HB ASP 6 2.568 5.105 10.892
46 HB3 ASP 6 1HB ASP 6 2.000 3.569 11.537
47 H GLU 7 H GLU 7 3.154 1.354 11.599
48 HA GLU 7 HA GLU 7 3.601 0.561 8.793
49 HB2 GLU 7 2HB GLU 7 3.231 -1.340 11.106
50 HB3 GLU 7 1HB GLU 7 3.842 -1.698 9.499
51 HG2 GLU 7 2HG GLU 7 5.834 -1.626 10.510
52 HG3 GLU 7 1HG GLU 7 5.662 0.116 10.311
53 H VAL 8 H VAL 8 1.903 -0.123 7.584
54 HA VAL 8 HA VAL 8 -0.659 -0.638 8.931
55 HB VAL 8 HB VAL 8 -0.447 1.062 6.442
56 HG11 VAL 8 1HG1 VAL 8 -2.686 1.065 6.365
57 HG12 VAL 8 2HG1 VAL 8 -2.846 1.196 8.114
58 HG13 VAL 8 3HG1 VAL 8 -2.571 -0.376 7.370
59 HG21 VAL 8 3HG2 VAL 8 -0.440 1.809 9.323
60 HG22 VAL 8 1HG2 VAL 8 -1.342 2.822 8.195
61 HG23 VAL 8 2HG2 VAL 8 0.385 2.559 7.958
62 H GLU 9 H GLU 9 -1.937 -2.179 7.989
63 HA GLU 9 HA GLU 9 -0.693 -4.038 6.244
64 HB2 GLU 9 2HB GLU 9 -3.582 -3.830 7.115
65 HB3 GLU 9 1HB GLU 9 -2.877 -5.207 6.282
66 HG2 GLU 9 2HG GLU 9 -1.514 -5.751 8.136
67 HG3 GLU 9 1HG GLU 9 -1.866 -4.218 8.931
68 H ILE 10 H ILE 10 -0.978 -4.449 4.105
69 HA ILE 10 HA ILE 10 -1.561 -2.383 2.347
70 HB ILE 10 HB ILE 10 -0.243 -4.391 1.757
71 HG12 ILE 10 2HG1 ILE 10 -1.649 -4.746 -0.518
72 HG13 ILE 10 1HG1 ILE 10 -2.425 -3.286 0.083
73 HG21 ILE 10 1HG2 ILE 10 -2.916 -5.773 1.537
74 HG22 ILE 10 2HG2 ILE 10 -1.699 -6.080 2.777
75 HG23 ILE 10 3HG2 ILE 10 -1.350 -6.449 1.088
76 HD11 ILE 10 3HD1 ILE 10 -0.582 -2.010 -0.227
77 HD12 ILE 10 1HD1 ILE 10 -0.307 -3.214 -1.485
78 HD13 ILE 10 2HD1 ILE 10 0.532 -3.347 0.061
79 H GLU 11 H GLU 11 -3.717 -4.728 3.803
80 HA GLU 11 HA GLU 11 -5.898 -4.541 2.060
81 HB2 GLU 11 2HB GLU 11 -5.950 -4.939 5.059
82 HB3 GLU 11 1HB GLU 11 -7.259 -5.313 3.946
83 HG2 GLU 11 2HG GLU 11 -5.969 -7.047 2.912
84 HG3 GLU 11 1HG GLU 11 -4.541 -6.599 3.842
85 H ASP 12 H ASP 12 -4.794 -2.401 4.615
86 HA ASP 12 HA ASP 12 -7.160 -0.798 4.718
87 HB2 ASP 12 2HB ASP 12 -4.333 -0.211 5.630
88 HB3 ASP 12 1HB ASP 12 -5.732 0.797 5.987
89 H PHE 13 H PHE 13 -4.224 -0.775 2.807
90 HA PHE 13 HA PHE 13 -4.355 1.861 1.821
91 HB2 PHE 13 2HB PHE 13 -3.053 -0.670 0.869
92 HB3 PHE 13 1HB PHE 13 -3.058 0.752 -0.166
93 HD1 PHE 13 2HD PHE 13 -2.276 -0.159 3.377
94 HD2 PHE 13 1HD PHE 13 -1.261 2.154 -0.048
95 HE1 PHE 13 2HE PHE 13 -0.294 0.704 4.551
96 HE2 PHE 13 1HE PHE 13 0.722 3.018 1.118
97 HZ PHE 13 HZ PHE 13 1.209 2.296 3.421
98 H GLN 14 H GLN 14 -4.663 2.317 -0.594
99 HA GLN 14 HA GLN 14 -7.226 1.139 -1.433
100 HB2 GLN 14 2HB GLN 14 -6.781 3.724 -0.979
101 HB3 GLN 14 1HB GLN 14 -6.189 3.666 -2.631
102 HG2 GLN 14 2HG GLN 14 -8.287 3.016 -3.475
103 HG3 GLN 14 1HG GLN 14 -8.898 2.627 -1.868
104 HE21 GLN 14 1HE2 GLN 14 -8.815 4.575 -0.323
105 HE22 GLN 14 2HE2 GLN 14 -9.402 6.065 -0.972
106 H TYR 15 H TYR 15 -7.011 -0.361 -2.976
107 HA TYR 15 HA TYR 15 -4.698 -0.647 -4.579
108 HB2 TYR 15 2HB TYR 15 -6.131 -2.559 -4.052
109 HB3 TYR 15 1HB TYR 15 -7.459 -1.834 -4.951
110 HD1 TYR 15 2HD TYR 15 -3.905 -2.880 -5.462
111 HD2 TYR 15 1HD TYR 15 -7.800 -2.527 -7.132
112 HE1 TYR 15 2HE TYR 15 -3.124 -4.011 -7.500
113 HE2 TYR 15 1HE TYR 15 -7.033 -3.656 -9.176
114 HH TYR 15 HH TYR 15 -4.920 -5.443 -9.611
115 H ASP 16 H ASP 16 -4.102 0.596 -6.212
116 HA ASP 16 HA ASP 16 -6.106 2.157 -7.654
117 HB2 ASP 16 2HB ASP 16 -3.690 2.903 -6.686
118 HB3 ASP 16 1HB ASP 16 -3.234 2.461 -8.327
119 H GLU 17 H GLU 17 -7.028 0.543 -8.939
120 HA GLU 17 HA GLU 17 -5.693 -1.339 -10.489
121 HB2 GLU 17 2HB GLU 17 -7.752 -1.171 -12.013
122 HB3 GLU 17 1HB GLU 17 -8.008 -1.639 -10.337
123 HG2 GLU 17 2HG GLU 17 -9.138 0.257 -9.834
124 HG3 GLU 17 1HG GLU 17 -8.198 1.248 -10.950
125 H ASP 18 H ASP 18 -6.129 2.075 -11.032
126 HA ASP 18 HA ASP 18 -5.827 2.432 -13.708
127 HB2 ASP 18 2HB ASP 18 -5.792 4.110 -11.608
128 HB3 ASP 18 1HB ASP 18 -4.080 4.140 -12.014
129 H SER 19 H SER 19 -3.170 1.835 -11.395
130 HA SER 19 HA SER 19 -1.588 0.714 -13.572
131 HB2 SER 19 2HB SER 19 -0.320 2.788 -11.789
132 HB3 SER 19 1HB SER 19 0.302 2.104 -13.291
133 HG SER 19 HG SER 19 -0.715 4.308 -13.307
134 H GLU 20 H GLU 20 -2.901 -0.343 -11.159
135 HA GLU 20 HA GLU 20 -2.532 -1.682 -9.364
136 HB2 GLU 20 2HB GLU 20 -1.452 -2.865 -11.413
137 HB3 GLU 20 1HB GLU 20 0.069 -2.484 -10.617
138 HG2 GLU 20 2HG GLU 20 -0.717 -3.675 -8.607
139 HG3 GLU 20 1HG GLU 20 -2.191 -4.108 -9.468
140 H THR 21 H THR 21 -2.146 0.410 -8.177
141 HA THR 21 HA THR 21 0.434 0.233 -6.790
142 HB THR 21 HB THR 21 -0.797 2.888 -7.554
143 HG1 THR 21 1HG THR 21 -0.120 2.290 -9.481
144 HG21 THR 21 3HG2 THR 21 1.397 3.797 -7.071
145 HG22 THR 21 1HG2 THR 21 1.982 2.191 -6.635
146 HG23 THR 21 2HG2 THR 21 0.736 2.971 -5.661
147 H TYR 22 H TYR 22 0.405 1.204 -4.641
148 HA TYR 22 HA TYR 22 -2.317 1.435 -3.523
149 HB2 TYR 22 2HB TYR 22 0.108 0.242 -2.159
150 HB3 TYR 22 1HB TYR 22 -1.495 0.411 -1.453
151 HD1 TYR 22 2HD TYR 22 0.396 -1.296 -4.156
152 HD2 TYR 22 1HD TYR 22 -3.142 -1.239 -1.791
153 HE1 TYR 22 2HE TYR 22 -0.212 -3.510 -5.025
154 HE2 TYR 22 1HE TYR 22 -3.759 -3.458 -2.655
155 HH TYR 22 HH TYR 22 -3.108 -4.782 -4.975
156 H PHE 23 H PHE 23 -2.709 3.094 -2.101
157 HA PHE 23 HA PHE 23 -0.442 4.771 -1.296
158 HB2 PHE 23 2HB PHE 23 -1.927 6.801 -1.809
159 HB3 PHE 23 1HB PHE 23 -1.155 5.994 -3.165
160 HD1 PHE 23 1HD PHE 23 -2.542 4.326 -4.496
161 HD2 PHE 23 2HD PHE 23 -4.232 7.114 -1.761
162 HE1 PHE 23 1HE PHE 23 -4.721 4.069 -5.593
163 HE2 PHE 23 2HE PHE 23 -6.425 6.858 -2.851
164 HZ PHE 23 HZ PHE 23 -6.672 5.334 -4.772
165 H TYR 24 H TYR 24 -0.793 6.088 0.544
166 HA TYR 24 HA TYR 24 -3.191 5.408 2.113
167 HB2 TYR 24 2HB TYR 24 -0.775 4.377 2.710
168 HB3 TYR 24 1HB TYR 24 -0.668 5.893 3.600
169 HD1 TYR 24 2HD TYR 24 -3.293 3.281 3.025
170 HD2 TYR 24 1HD TYR 24 -1.194 5.697 5.830
171 HE1 TYR 24 2HE TYR 24 -4.609 2.295 4.850
172 HE2 TYR 24 1HE TYR 24 -2.506 4.717 7.662
173 HH TYR 24 HH TYR 24 -4.725 3.598 7.951
174 HA PRO 25 HA PRO 25 -3.662 9.790 2.543
175 HB2 PRO 25 2HB PRO 25 -5.187 9.831 4.806
176 HB3 PRO 25 1HB PRO 25 -5.819 9.427 3.206
177 HG2 PRO 25 2HG PRO 25 -4.981 7.603 5.427
178 HG3 PRO 25 1HG PRO 25 -6.399 7.498 4.366
179 HD2 PRO 25 2HD PRO 25 -4.204 5.990 3.966
180 HD3 PRO 25 1HD PRO 25 -5.181 6.604 2.617
181 H CYS 26 H CYS 26 -2.187 11.182 3.246
182 HA CYS 26 HA CYS 26 -0.755 10.622 5.735
183 HB2 CYS 26 2HB CYS 26 0.101 11.484 3.231
184 HB3 CYS 26 1HB CYS 26 0.176 12.932 4.232
185 HA PRO 27 HA PRO 27 -2.887 13.803 7.947
186 HB2 PRO 27 2HB PRO 27 -0.977 14.465 9.771
187 HB3 PRO 27 1HB PRO 27 -1.943 12.988 9.867
188 HG2 PRO 27 2HG PRO 27 0.842 13.367 8.835
189 HG3 PRO 27 1HG PRO 27 0.191 12.069 9.852
190 HD2 PRO 27 2HD PRO 27 0.592 11.764 7.197
191 HD3 PRO 27 1HD PRO 27 -0.736 10.955 8.058
192 H CYS 28 H CYS 28 0.111 14.411 6.305
193 HA CYS 28 HA CYS 28 0.218 17.218 6.865
194 HB2 CYS 28 2HB CYS 28 1.994 17.276 5.172
195 HB3 CYS 28 1HB CYS 28 2.249 15.962 6.314
196 H GLY 29 H GLY 29 -0.970 15.228 4.173
197 HA2 GLY 29 2HA GLY 29 -3.069 16.756 3.383
198 HA3 GLY 29 1HA GLY 29 -1.705 17.524 2.586
199 H ASP 30 H ASP 30 -0.179 15.696 1.578
200 HA ASP 30 HA ASP 30 -1.734 14.502 -0.507
201 HB2 ASP 30 2HB ASP 30 0.830 15.402 -0.324
202 HB3 ASP 30 1HB ASP 30 1.086 13.666 -0.202
203 H ASN 31 H ASN 31 -0.703 12.100 -1.105
204 HA ASN 31 HA ASN 31 -1.121 10.425 1.278
205 HB2 ASN 31 2HB ASN 31 -2.172 9.780 -1.485
206 HB3 ASN 31 1HB ASN 31 -2.457 8.875 -0.003
207 HD21 ASN 31 1HD2 ASN 31 -4.448 9.126 0.709
208 HD22 ASN 31 2HD2 ASN 31 -5.390 10.570 0.616
209 H PHE 32 H PHE 32 0.120 8.588 1.428
210 HA PHE 32 HA PHE 32 2.614 8.530 0.117
211 HB2 PHE 32 2HB PHE 32 1.117 6.631 1.890
212 HB3 PHE 32 1HB PHE 32 2.573 6.073 1.075
213 HD1 PHE 32 1HD PHE 32 4.692 7.520 1.392
214 HD2 PHE 32 2HD PHE 32 1.280 7.720 3.928
215 HE1 PHE 32 1HE PHE 32 6.078 8.494 3.176
216 HE2 PHE 32 2HE PHE 32 2.662 8.699 5.713
217 HZ PHE 32 HZ PHE 32 5.064 9.087 5.338
218 H SER 33 H SER 33 3.402 6.421 -1.022
219 HA SER 33 HA SER 33 1.406 5.144 -2.684
220 HB2 SER 33 2HB SER 33 2.595 5.817 -4.809
221 HB3 SER 33 1HB SER 33 1.714 7.116 -4.007
222 HG SER 33 HG SER 33 3.526 8.147 -3.824
223 H ILE 34 H ILE 34 2.022 3.183 -3.432
224 HA ILE 34 HA ILE 34 4.813 2.406 -3.506
225 HB ILE 34 HB ILE 34 4.254 1.985 -1.160
226 HG12 ILE 34 2HG1 ILE 34 4.286 -0.768 -2.281
227 HG13 ILE 34 1HG1 ILE 34 5.566 0.319 -2.809
228 HG21 ILE 34 1HG2 ILE 34 1.751 1.430 -1.991
229 HG22 ILE 34 2HG2 ILE 34 2.394 0.953 -0.421
230 HG23 ILE 34 3HG2 ILE 34 2.375 -0.202 -1.752
231 HD11 ILE 34 3HD1 ILE 34 5.189 0.410 0.057
232 HD12 ILE 34 1HD1 ILE 34 6.648 0.109 -0.888
233 HD13 ILE 34 2HD1 ILE 34 5.545 -1.217 -0.523
234 H THR 35 H THR 35 5.113 1.162 -5.241
235 HA THR 35 HA THR 35 2.915 0.264 -6.825
236 HB THR 35 HB THR 35 4.892 -0.901 -8.100
237 HG1 THR 35 1HG THR 35 6.877 -0.221 -7.550
238 HG21 THR 35 3HG2 THR 35 5.305 2.026 -8.058
239 HG22 THR 35 1HG2 THR 35 3.699 1.438 -8.493
240 HG23 THR 35 2HG2 THR 35 5.108 0.920 -9.419
241 H LYS 36 H LYS 36 2.301 -1.848 -7.372
242 HA LYS 36 HA LYS 36 2.195 -3.704 -5.270
243 HB2 LYS 36 2HB LYS 36 0.539 -3.662 -7.073
244 HB3 LYS 36 1HB LYS 36 1.763 -4.159 -8.231
245 HG2 LYS 36 2HG LYS 36 0.897 -6.198 -7.855
246 HG3 LYS 36 1HG LYS 36 1.970 -6.169 -6.455
247 HD2 LYS 36 2HD LYS 36 0.212 -5.575 -4.995
248 HD3 LYS 36 1HD LYS 36 -0.861 -5.167 -6.336
249 HE2 LYS 36 2HE LYS 36 -0.283 -7.767 -6.886
250 HE3 LYS 36 1HE LYS 36 -0.250 -7.773 -5.123
251 HZ1 LYS 36 3HZ LYS 36 -2.459 -7.229 -4.989
252 HZ2 LYS 36 1HZ LYS 36 -2.463 -8.176 -6.390
253 HZ3 LYS 36 2HZ LYS 36 -2.502 -6.491 -6.511
254 H GLU 37 H GLU 37 4.327 -3.503 -8.084
255 HA GLU 37 HA GLU 37 5.616 -5.979 -7.801
256 HB2 GLU 37 2HB GLU 37 5.722 -4.209 -9.713
257 HB3 GLU 37 1HB GLU 37 7.054 -3.535 -8.785
258 HG2 GLU 37 2HG GLU 37 8.205 -5.706 -8.897
259 HG3 GLU 37 1HG GLU 37 6.888 -6.332 -9.888
260 H ASP 38 H ASP 38 6.243 -2.830 -6.315
261 HA ASP 38 HA ASP 38 8.728 -3.360 -5.156
262 HB2 ASP 38 2HB ASP 38 6.498 -1.467 -4.589
263 HB3 ASP 38 1HB ASP 38 7.681 -1.715 -3.308
264 H LEU 39 H LEU 39 5.462 -3.871 -3.848
265 HA LEU 39 HA LEU 39 6.276 -4.911 -1.359
266 HB2 LEU 39 2HB LEU 39 3.743 -5.587 -2.844
267 HB3 LEU 39 1HB LEU 39 4.014 -5.698 -1.115
268 HG LEU 39 HG LEU 39 4.255 -3.048 -2.485
269 HD11 LEU 39 1HD1 LEU 39 1.847 -2.680 -1.957
270 HD12 LEU 39 2HD1 LEU 39 1.700 -4.414 -1.674
271 HD13 LEU 39 3HD1 LEU 39 2.142 -3.816 -3.273
272 HD21 LEU 39 3HD2 LEU 39 3.716 -2.178 -0.337
273 HD22 LEU 39 1HD2 LEU 39 4.946 -3.421 -0.104
274 HD23 LEU 39 2HD2 LEU 39 3.258 -3.773 0.262
275 H GLU 40 H GLU 40 5.505 -6.505 -4.441
276 HA GLU 40 HA GLU 40 5.718 -9.159 -3.527
277 HB2 GLU 40 2HB GLU 40 6.216 -8.024 -6.280
278 HB3 GLU 40 1HB GLU 40 6.055 -9.736 -5.916
279 HG2 GLU 40 2HG GLU 40 3.773 -9.372 -5.152
280 HG3 GLU 40 1HG GLU 40 3.931 -7.648 -5.483
281 H ASN 41 H ASN 41 8.160 -6.821 -4.418
282 HA ASN 41 HA ASN 41 10.257 -8.828 -4.535
283 HB2 ASN 41 2HB ASN 41 10.044 -5.925 -5.129
284 HB3 ASN 41 1HB ASN 41 11.623 -6.521 -4.629
285 HD21 ASN 41 1HD2 ASN 41 12.356 -5.952 -6.743
286 HD22 ASN 41 2HD2 ASN 41 12.057 -7.005 -8.079
287 H GLY 42 H GLY 42 9.145 -6.264 -2.369
288 HA2 GLY 42 2HA GLY 42 9.623 -7.121 0.044
289 HA3 GLY 42 1HA GLY 42 11.288 -6.896 -0.465
290 H GLU 43 H GLU 43 10.079 -4.522 -2.143
291 HA GLU 43 HA GLU 43 10.799 -2.486 -0.310
292 HB2 GLU 43 2HB GLU 43 9.582 -2.478 -3.062
293 HB3 GLU 43 1HB GLU 43 9.765 -0.986 -2.153
294 HG2 GLU 43 2HG GLU 43 12.241 -1.826 -1.909
295 HG3 GLU 43 1HG GLU 43 11.832 -2.737 -3.363
296 H ASP 44 H ASP 44 9.383 -2.966 1.444
297 HA ASP 44 HA ASP 44 6.551 -2.331 1.081
298 HB2 ASP 44 2HB ASP 44 6.438 -3.054 3.543
299 HB3 ASP 44 1HB ASP 44 6.784 -4.294 2.350
300 H VAL 45 H VAL 45 8.326 -0.194 0.755
301 HA VAL 45 HA VAL 45 7.669 1.438 3.111
302 HB VAL 45 HB VAL 45 10.084 1.065 3.062
303 HG11 VAL 45 1HG1 VAL 45 11.486 1.608 1.273
304 HG12 VAL 45 2HG1 VAL 45 10.243 2.567 0.470
305 HG13 VAL 45 3HG1 VAL 45 10.114 0.809 0.506
306 HG21 VAL 45 3HG2 VAL 45 9.061 3.250 3.791
307 HG22 VAL 45 1HG2 VAL 45 9.523 3.896 2.216
308 HG23 VAL 45 2HG2 VAL 45 10.762 3.320 3.331
309 H ALA 46 H ALA 46 6.560 3.245 2.740
310 HA ALA 46 HA ALA 46 6.236 4.103 -0.059
311 HB1 ALA 46 1HB ALA 46 4.026 4.352 0.242
312 HB2 ALA 46 2HB ALA 46 4.217 5.023 1.860
313 HB3 ALA 46 3HB ALA 46 4.259 3.277 1.620
314 H THR 47 H THR 47 6.685 6.168 -0.593
315 HA THR 47 HA THR 47 7.495 7.970 1.591
316 HB THR 47 HB THR 47 8.542 8.184 -1.223
317 HG1 THR 47 1HG THR 47 9.277 6.214 -0.762
318 HG21 THR 47 3HG2 THR 47 8.894 9.813 0.935
319 HG22 THR 47 1HG2 THR 47 9.989 9.684 -0.441
320 HG23 THR 47 2HG2 THR 47 10.304 8.757 1.026
321 H CYS 48 H CYS 48 6.555 9.911 1.735
322 HA CYS 48 HA CYS 48 4.434 10.547 -0.146
323 HB2 CYS 48 2HB CYS 48 4.144 10.681 2.363
324 HB3 CYS 48 1HB CYS 48 5.215 12.079 2.339
325 HA PRO 49 HA PRO 49 6.997 13.519 -2.257
326 HB2 PRO 49 2HB PRO 49 5.139 14.533 -3.912
327 HB3 PRO 49 1HB PRO 49 5.773 12.895 -4.113
328 HG2 PRO 49 2HG PRO 49 3.192 13.796 -2.901
329 HG3 PRO 49 1HG PRO 49 3.510 12.410 -3.957
330 HD2 PRO 49 2HD PRO 49 3.250 12.255 -1.222
331 HD3 PRO 49 1HD PRO 49 4.136 11.078 -2.213
332 H SER 50 H SER 50 4.722 14.248 0.064
333 HA SER 50 HA SER 50 4.945 17.147 -0.341
334 HB2 SER 50 2HB SER 50 2.651 16.425 -0.155
335 HB3 SER 50 1HB SER 50 3.008 15.509 1.308
336 HG SER 50 HG SER 50 2.371 17.296 2.233
337 H CYS 51 H CYS 51 5.014 14.732 2.297
338 HA CYS 51 HA CYS 51 6.616 16.592 3.895
339 HB2 CYS 51 2HB CYS 51 6.126 15.147 5.785
340 HB3 CYS 51 1HB CYS 51 4.636 15.565 4.946
341 H SER 52 H SER 52 6.957 13.701 2.033
342 HA SER 52 HA SER 52 8.743 12.400 1.524
343 HB2 SER 52 2HB SER 52 10.011 14.865 2.588
344 HB3 SER 52 1HB SER 52 11.035 13.431 2.503
345 HG SER 52 HG SER 52 9.500 14.442 0.341
346 H LEU 53 H LEU 53 7.239 11.652 3.694
347 HA LEU 53 HA LEU 53 9.116 10.845 5.788
348 HB2 LEU 53 2HB LEU 53 6.132 10.938 5.558
349 HB3 LEU 53 1HB LEU 53 6.869 9.869 6.734
350 HG LEU 53 HG LEU 53 7.315 12.853 6.619
351 HD11 LEU 53 1HD1 LEU 53 5.198 12.871 7.395
352 HD12 LEU 53 2HD1 LEU 53 5.986 12.447 8.914
353 HD13 LEU 53 3HD1 LEU 53 5.256 11.188 7.918
354 HD21 LEU 53 3HD2 LEU 53 9.150 12.175 7.769
355 HD22 LEU 53 1HD2 LEU 53 8.414 10.653 8.273
356 HD23 LEU 53 2HD2 LEU 53 7.995 12.152 9.102
357 H ILE 54 H ILE 54 8.400 8.506 6.683
358 HA ILE 54 HA ILE 54 8.277 6.667 4.381
359 HB ILE 54 HB ILE 54 9.826 5.153 5.713
360 HG12 ILE 54 2HG1 ILE 54 10.515 7.751 7.109
361 HG13 ILE 54 1HG1 ILE 54 9.630 6.423 7.853
362 HG21 ILE 54 1HG2 ILE 54 10.356 6.756 3.706
363 HG22 ILE 54 2HG2 ILE 54 11.653 5.919 4.559
364 HG23 ILE 54 3HG2 ILE 54 11.311 7.611 4.918
365 HD11 ILE 54 3HD1 ILE 54 12.334 5.960 6.674
366 HD12 ILE 54 1HD1 ILE 54 11.493 5.063 7.937
367 HD13 ILE 54 2HD1 ILE 54 12.159 6.658 8.284
368 H ILE 55 H ILE 55 7.151 4.769 4.675
369 HA ILE 55 HA ILE 55 6.048 4.160 7.310
370 HB ILE 55 HB ILE 55 3.764 3.849 6.366
371 HG12 ILE 55 2HG1 ILE 55 4.354 5.702 4.124
372 HG13 ILE 55 1HG1 ILE 55 4.895 4.040 3.923
373 HG21 ILE 55 1HG2 ILE 55 4.308 5.815 7.691
374 HG22 ILE 55 2HG2 ILE 55 3.147 6.212 6.426
375 HG23 ILE 55 3HG2 ILE 55 4.842 6.662 6.240
376 HD11 ILE 55 3HD1 ILE 55 2.851 3.634 3.160
377 HD12 ILE 55 1HD1 ILE 55 2.226 5.159 3.785
378 HD13 ILE 55 2HD1 ILE 55 2.321 3.748 4.837
379 H LYS 56 H LYS 56 5.501 1.995 7.607
380 HA LYS 56 HA LYS 56 6.590 0.188 5.586
381 HB2 LYS 56 2HB LYS 56 7.301 0.003 7.977
382 HB3 LYS 56 1HB LYS 56 5.654 -0.447 8.388
383 HG2 LYS 56 2HG LYS 56 6.604 -2.510 8.233
384 HG3 LYS 56 1HG LYS 56 6.054 -2.305 6.569
385 HD2 LYS 56 2HD LYS 56 8.179 -1.978 5.762
386 HD3 LYS 56 1HD LYS 56 8.784 -1.354 7.296
387 HE2 LYS 56 2HE LYS 56 9.614 -3.647 6.592
388 HE3 LYS 56 1HE LYS 56 8.962 -3.511 8.224
389 HZ1 LYS 56 3HZ LYS 56 7.098 -4.710 7.674
390 HZ2 LYS 56 1HZ LYS 56 8.253 -5.467 6.696
391 HZ3 LYS 56 2HZ LYS 56 7.188 -4.337 6.026
392 H VAL 57 H VAL 57 5.495 -1.223 4.444
393 HA VAL 57 HA VAL 57 2.576 -1.252 4.780
394 HB VAL 57 HB VAL 57 3.742 -2.285 2.255
395 HG11 VAL 57 1HG1 VAL 57 1.445 -0.487 2.996
396 HG12 VAL 57 2HG1 VAL 57 1.360 -2.190 2.544
397 HG13 VAL 57 3HG1 VAL 57 1.826 -0.980 1.348
398 HG21 VAL 57 3HG2 VAL 57 4.216 0.479 3.212
399 HG22 VAL 57 1HG2 VAL 57 3.641 0.302 1.555
400 HG23 VAL 57 2HG2 VAL 57 5.128 -0.498 2.062
401 H ILE 58 H ILE 58 1.855 -3.015 5.772
402 HA ILE 58 HA ILE 58 3.382 -5.498 5.654
403 HB ILE 58 HB ILE 58 0.836 -4.980 7.191
404 HG12 ILE 58 2HG1 ILE 58 2.511 -3.358 7.898
405 HG13 ILE 58 1HG1 ILE 58 2.301 -4.581 9.148
406 HG21 ILE 58 1HG2 ILE 58 1.165 -6.976 8.246
407 HG22 ILE 58 2HG2 ILE 58 2.915 -6.930 8.036
408 HG23 ILE 58 3HG2 ILE 58 1.875 -7.358 6.678
409 HD11 ILE 58 3HD1 ILE 58 4.357 -5.570 7.589
410 HD12 ILE 58 1HD1 ILE 58 4.510 -4.765 9.149
411 HD13 ILE 58 2HD1 ILE 58 4.664 -3.835 7.659
412 H TYR 59 H TYR 59 2.773 -7.302 4.582
413 HA TYR 59 HA TYR 59 0.070 -7.594 3.560
414 HB2 TYR 59 2HB TYR 59 1.014 -8.013 1.212
415 HB3 TYR 59 1HB TYR 59 0.919 -6.338 1.744
416 HD1 TYR 59 2HD TYR 59 3.228 -9.173 1.185
417 HD2 TYR 59 1HD TYR 59 2.859 -5.018 1.999
418 HE1 TYR 59 2HE TYR 59 5.628 -8.882 0.745
419 HE2 TYR 59 1HE TYR 59 5.250 -4.712 1.558
420 HH TYR 59 HH TYR 59 7.062 -6.088 0.094
421 H ASP 60 H ASP 60 0.102 -9.687 2.036
422 HA ASP 60 HA ASP 60 1.106 -11.814 3.706
423 HB2 ASP 60 2HB ASP 60 -1.170 -11.744 2.501
424 HB3 ASP 60 1HB ASP 60 -0.272 -12.155 1.044
425 H LYS 61 H LYS 61 3.293 -12.026 3.527
426 HA LYS 61 HA LYS 61 4.783 -11.688 1.173
427 HB2 LYS 61 2HB LYS 61 5.403 -13.262 3.670
428 HB3 LYS 61 1HB LYS 61 6.559 -13.011 2.370
429 HG2 LYS 61 2HG LYS 61 5.247 -10.630 3.576
430 HG3 LYS 61 1HG LYS 61 6.511 -11.458 4.488
431 HD2 LYS 61 2HD LYS 61 7.972 -11.256 2.447
432 HD3 LYS 61 1HD LYS 61 6.729 -10.218 1.747
433 HE2 LYS 61 2HE LYS 61 6.982 -8.910 4.002
434 HE3 LYS 61 1HE LYS 61 8.549 -9.714 4.061
435 HZ1 LYS 61 3HZ LYS 61 8.335 -7.409 2.947
436 HZ2 LYS 61 1HZ LYS 61 7.737 -8.276 1.623
437 HZ3 LYS 61 2HZ LYS 61 9.290 -8.595 2.210
438 H ASP 62 H ASP 62 3.047 -14.474 2.428
439 HA ASP 62 HA ASP 62 4.267 -16.424 0.780
440 HB2 ASP 62 2HB ASP 62 2.533 -16.607 2.825
441 HB3 ASP 62 1HB ASP 62 1.405 -16.784 1.485
442 H GLN 63 H GLN 63 1.693 -14.106 0.218
443 HA GLN 63 HA GLN 63 1.094 -15.304 -2.384
444 HB2 GLN 63 2HB GLN 63 -0.254 -13.333 -0.609
445 HB3 GLN 63 1HB GLN 63 -0.538 -13.203 -2.338
446 HG2 GLN 63 2HG GLN 63 -0.951 -15.729 -0.760
447 HG3 GLN 63 1HG GLN 63 -2.219 -14.551 -1.086
448 HE21 GLN 63 1HE2 GLN 63 -2.762 -14.140 -3.328
449 HE22 GLN 63 2HE2 GLN 63 -2.575 -15.404 -4.489
450 H PHE 64 H PHE 64 2.610 -12.474 -0.964
451 HA PHE 64 HA PHE 64 2.850 -11.083 -3.477
452 HB2 PHE 64 2HB PHE 64 3.634 -10.547 -0.653
453 HB3 PHE 64 1HB PHE 64 4.532 -9.713 -1.916
454 HD1 PHE 64 2HD PHE 64 1.153 -10.232 -0.502
455 HD2 PHE 64 1HD PHE 64 3.600 -7.885 -3.075
456 HE1 PHE 64 2HE PHE 64 -0.637 -8.554 -0.668
457 HE2 PHE 64 1HE PHE 64 1.814 -6.203 -3.245
458 HZ PHE 64 HZ PHE 64 -0.309 -6.536 -2.042
459 H VAL 65 H VAL 65 5.314 -12.323 -1.182
460 HA VAL 65 HA VAL 65 7.099 -12.718 -3.492
461 HB VAL 65 HB VAL 65 7.930 -11.025 -1.966
462 HG11 VAL 65 1HG1 VAL 65 8.561 -12.819 0.250
463 HG12 VAL 65 2HG1 VAL 65 6.840 -12.508 0.045
464 HG13 VAL 65 3HG1 VAL 65 7.956 -11.163 0.264
465 HG21 VAL 65 3HG2 VAL 65 9.354 -13.481 -2.577
466 HG22 VAL 65 1HG2 VAL 65 10.032 -12.634 -1.188
467 HG23 VAL 65 2HG2 VAL 65 9.873 -11.804 -2.735
468 H SER 66 H SER 66 6.390 -14.813 -3.937
469 HA SER 66 HA SER 66 7.654 -16.856 -2.318
470 HB2 SER 66 2HB SER 66 5.193 -16.427 -1.511
471 HB3 SER 66 1HB SER 66 4.766 -17.343 -2.956
472 HG SER 66 HG SER 66 5.010 -18.673 -1.091
473 H GLY 67 H GLY 67 8.206 -15.905 -4.913
474 HA2 GLY 67 2HA GLY 67 7.517 -18.293 -6.507
475 HA3 GLY 67 1HA GLY 67 7.547 -16.684 -7.216
476 H GLU 68 H GLU 68 9.576 -15.596 -7.417
477 HA GLU 68 HA GLU 68 11.812 -17.477 -7.676
478 HB2 GLU 68 2HB GLU 68 11.291 -14.761 -8.886
479 HB3 GLU 68 1HB GLU 68 12.838 -15.583 -9.021
480 HG2 GLU 68 2HG GLU 68 11.822 -17.404 -10.222
481 HG3 GLU 68 1HG GLU 68 10.220 -16.710 -9.984
482 H THR 69 H THR 69 11.129 -16.577 -5.064
483 HA THR 69 HA THR 69 13.016 -14.497 -4.364
484 HB THR 69 HB THR 69 10.854 -14.588 -3.214
485 HG1 THR 69 1HG THR 69 12.433 -13.702 -1.972
486 HG21 THR 69 3HG2 THR 69 9.944 -16.392 -2.324
487 HG22 THR 69 1HG2 THR 69 11.408 -16.772 -1.421
488 HG23 THR 69 2HG2 THR 69 11.229 -17.330 -3.084
489 H VAL 70 H VAL 70 15.102 -15.025 -4.366
490 HA VAL 70 HA VAL 70 15.974 -17.298 -2.755
491 HB VAL 70 HB VAL 70 15.829 -18.189 -5.029
492 HG11 VAL 70 1HG1 VAL 70 16.447 -15.749 -5.932
493 HG12 VAL 70 2HG1 VAL 70 16.667 -17.213 -6.891
494 HG13 VAL 70 3HG1 VAL 70 18.038 -16.503 -6.038
495 HG21 VAL 70 3HG2 VAL 70 18.217 -18.916 -5.266
496 HG22 VAL 70 1HG2 VAL 70 17.528 -19.141 -3.658
497 HG23 VAL 70 2HG2 VAL 70 18.621 -17.793 -3.968
498 HA PRO 71 HA PRO 71 18.933 -14.212 -1.539
499 HB2 PRO 71 2HB PRO 71 20.481 -15.743 0.051
500 HB3 PRO 71 1HB PRO 71 18.849 -15.248 0.518
501 HG2 PRO 71 2HG PRO 71 19.791 -17.857 -0.606
502 HG3 PRO 71 1HG PRO 71 18.633 -17.555 0.702
503 HD2 PRO 71 2HD PRO 71 17.900 -18.162 -1.858
504 HD3 PRO 71 1HD PRO 71 16.896 -17.200 -0.755
505 H ALA 72 H ALA 72 20.543 -13.431 -2.754
506 HA ALA 72 HA ALA 72 22.953 -14.839 -3.227
507 HB1 ALA 72 1HB ALA 72 22.192 -16.061 -4.976
508 HB2 ALA 72 2HB ALA 72 22.540 -14.577 -5.861
509 HB3 ALA 72 3HB ALA 72 20.892 -14.929 -5.344
510 HA PRO 73 HA PRO 73 24.319 -10.662 -3.725
511 HB2 PRO 73 2HB PRO 73 26.672 -11.034 -5.026
512 HB3 PRO 73 1HB PRO 73 26.449 -11.428 -3.318
513 HG2 PRO 73 2HG PRO 73 26.406 -13.236 -5.702
514 HG3 PRO 73 1HG PRO 73 27.155 -13.492 -4.116
515 HD2 PRO 73 2HD PRO 73 24.773 -14.588 -4.815
516 HD3 PRO 73 1HD PRO 73 25.172 -14.138 -3.145
517 H SER 74 H SER 74 23.131 -9.434 -5.081
518 HA SER 74 HA SER 74 22.356 -8.429 -6.967
519 HB2 SER 74 2HB SER 74 25.140 -9.227 -7.745
520 HB3 SER 74 1HB SER 74 24.068 -8.527 -8.958
521 HG SER 74 HG SER 74 24.984 -6.781 -8.083
522 H ALA 75 H ALA 75 21.384 -11.004 -6.531
523 HA ALA 75 HA ALA 75 21.362 -12.279 -9.169
524 HB1 ALA 75 1HB ALA 75 19.994 -14.030 -7.790
525 HB2 ALA 75 2HB ALA 75 20.719 -13.204 -6.409
526 HB3 ALA 75 3HB ALA 75 21.750 -13.942 -7.637
527 H ASN 76 H ASN 76 19.558 -12.462 -10.407
528 HA ASN 76 HA ASN 76 17.206 -10.925 -9.542
529 HB2 ASN 76 2HB ASN 76 18.629 -10.574 -11.794
530 HB3 ASN 76 1HB ASN 76 17.487 -11.783 -12.375
531 HD21 ASN 76 1HD2 ASN 76 15.534 -11.123 -12.999
532 HD22 ASN 76 2HD2 ASN 76 14.877 -9.550 -12.722
533 H LYS 77 H LYS 77 18.224 -14.032 -10.856
534 HA LYS 77 HA LYS 77 16.040 -15.414 -9.711
535 HB2 LYS 77 2HB LYS 77 14.891 -16.135 -11.747
536 HB3 LYS 77 1HB LYS 77 14.800 -14.391 -11.561
537 HG2 LYS 77 2HG LYS 77 16.533 -14.083 -13.215
538 HG3 LYS 77 1HG LYS 77 16.746 -15.828 -13.353
539 HD2 LYS 77 2HD LYS 77 14.081 -15.587 -13.818
540 HD3 LYS 77 1HD LYS 77 14.684 -14.074 -14.497
541 HE2 LYS 77 2HE LYS 77 16.385 -15.451 -15.751
542 HE3 LYS 77 1HE LYS 77 15.494 -16.880 -15.229
543 HZ1 LYS 77 3HZ LYS 77 13.955 -14.761 -16.517
544 HZ2 LYS 77 1HZ LYS 77 13.791 -16.442 -16.628
545 HZ3 LYS 77 2HZ LYS 77 15.000 -15.651 -17.505
546 H GLU 78 H GLU 78 16.290 -17.669 -9.809
547 HA GLU 78 HA GLU 78 18.762 -18.583 -11.134
548 HB2 GLU 78 2HB GLU 78 18.686 -18.459 -8.547
549 HB3 GLU 78 1HB GLU 78 17.650 -19.875 -8.656
550 HG2 GLU 78 2HG GLU 78 19.350 -21.239 -9.156
551 HG3 GLU 78 1HG GLU 78 20.123 -20.061 -10.215
552 H LEU 79 H LEU 79 17.741 -19.333 -12.998
553 HA LEU 79 HA LEU 79 16.752 -21.971 -12.907
554 HB2 LEU 79 2HB LEU 79 14.472 -21.550 -13.794
555 HB3 LEU 79 1HB LEU 79 14.686 -21.044 -12.131
556 HG LEU 79 HG LEU 79 15.023 -19.015 -14.295
557 HD11 LEU 79 1HD1 LEU 79 12.480 -20.345 -13.515
558 HD12 LEU 79 2HD1 LEU 79 12.990 -19.705 -15.077
559 HD13 LEU 79 3HD1 LEU 79 12.470 -18.604 -13.801
560 HD21 LEU 79 3HD2 LEU 79 13.751 -17.742 -12.385
561 HD22 LEU 79 1HD2 LEU 79 15.482 -18.056 -12.270
562 HD23 LEU 79 2HD2 LEU 79 14.342 -19.080 -11.398
563 H VAL 80 H VAL 80 17.233 -22.909 -14.782
564 HA VAL 80 HA VAL 80 17.726 -21.182 -17.117
565 HB VAL 80 HB VAL 80 18.781 -23.986 -16.726
566 HG11 VAL 80 1HG1 VAL 80 20.547 -22.742 -18.328
567 HG12 VAL 80 2HG1 VAL 80 19.074 -21.875 -18.768
568 HG13 VAL 80 3HG1 VAL 80 19.146 -23.631 -18.926
569 HG21 VAL 80 3HG2 VAL 80 20.413 -23.277 -15.387
570 HG22 VAL 80 1HG2 VAL 80 19.514 -21.770 -15.205
571 HG23 VAL 80 2HG2 VAL 80 20.767 -21.906 -16.437
572 H LYS 81 H LYS 81 15.079 -21.998 -16.482
573 HA LYS 81 HA LYS 81 14.469 -24.173 -18.331
574 HB2 LYS 81 2HB LYS 81 13.395 -23.994 -16.047
575 HB3 LYS 81 1HB LYS 81 12.532 -22.585 -16.644
576 HG2 LYS 81 2HG LYS 81 11.118 -23.811 -17.909
577 HG3 LYS 81 1HG LYS 81 12.331 -25.038 -18.278
578 HD2 LYS 81 2HD LYS 81 11.276 -24.792 -15.493
579 HD3 LYS 81 1HD LYS 81 10.312 -25.611 -16.723
580 HE2 LYS 81 2HE LYS 81 12.682 -26.793 -17.152
581 HE3 LYS 81 1HE LYS 81 12.851 -26.423 -15.437
582 HZ1 LYS 81 3HZ LYS 81 11.180 -27.842 -14.870
583 HZ2 LYS 81 1HZ LYS 81 11.755 -28.644 -16.245
584 HZ3 LYS 81 2HZ LYS 81 10.364 -27.686 -16.344
585 H LEU 82 H LEU 82 14.397 -23.583 -20.411
586 HA LEU 82 HA LEU 82 12.892 -21.143 -21.108
587 HB2 LEU 82 2HB LEU 82 15.536 -21.378 -21.483
588 HB3 LEU 82 1HB LEU 82 14.986 -22.141 -22.963
589 HG LEU 82 HG LEU 82 13.507 -19.942 -23.131
590 HD11 LEU 82 1HD1 LEU 82 14.109 -18.903 -21.089
591 HD12 LEU 82 2HD1 LEU 82 14.924 -18.008 -22.371
592 HD13 LEU 82 3HD1 LEU 82 15.830 -19.157 -21.386
593 HD21 LEU 82 3HD2 LEU 82 16.272 -20.578 -23.982
594 HD22 LEU 82 1HD2 LEU 82 15.714 -18.921 -24.215
595 HD23 LEU 82 2HD2 LEU 82 14.831 -20.259 -24.946
596 H GLU 83 H GLU 83 11.894 -23.873 -20.854
597 HA GLU 83 HA GLU 83 10.907 -24.213 -23.596
598 HB2 GLU 83 2HB GLU 83 12.220 -26.250 -21.851
599 HB3 GLU 83 1HB GLU 83 10.885 -26.770 -22.871
600 HG2 GLU 83 2HG GLU 83 12.370 -25.376 -24.652
601 HG3 GLU 83 1HG GLU 83 13.625 -25.999 -23.584
602 H HIS 84 H HIS 84 9.065 -23.049 -22.815
603 HA HIS 84 HA HIS 84 6.947 -22.853 -22.020
604 HB2 HIS 84 2HB HIS 84 7.040 -25.299 -23.139
605 HB3 HIS 84 1HB HIS 84 6.659 -25.759 -21.482
606 HD1 HIS 84 1HD HIS 84 5.326 -23.296 -24.071
607 HD2 HIS 84 2HD HIS 84 4.000 -25.767 -21.003
608 HE1 HIS 84 1HE HIS 84 2.819 -23.095 -24.080
609 HE2 HIS 84 2HE HIS 84 2.043 -24.553 -22.177
Start of MODEL 18
1 H1 MET 1 1HT MET 1 17.434 6.188 4.705
2 H2 MET 1 2HT MET 1 16.490 6.364 3.284
3 H3 MET 1 3HT MET 1 17.127 4.829 3.707
4 HA MET 1 HA MET 1 15.004 6.366 5.033
5 HB2 MET 1 2HB MET 1 15.241 3.851 3.436
6 HB3 MET 1 1HB MET 1 14.020 3.918 4.699
7 HG2 MET 1 2HG MET 1 12.721 5.353 3.556
8 HG3 MET 1 1HG MET 1 14.094 6.229 2.880
9 HE1 MET 1 2HE MET 1 11.760 4.822 -0.095
10 HE2 MET 1 3HE MET 1 12.343 6.307 0.657
11 HE3 MET 1 1HE MET 1 11.242 5.247 1.537
12 H ALA 2 H ALA 2 15.227 6.407 7.174
13 HA ALA 2 HA ALA 2 15.843 3.931 8.590
14 HB1 ALA 2 1HB ALA 2 17.905 5.584 8.186
15 HB2 ALA 2 2HB ALA 2 17.723 4.622 9.652
16 HB3 ALA 2 3HB ALA 2 17.239 6.318 9.645
17 H VAL 3 H VAL 3 14.903 3.778 10.607
18 HA VAL 3 HA VAL 3 13.389 4.158 12.258
19 HB VAL 3 HB VAL 3 13.961 7.100 11.874
20 HG11 VAL 3 1HG1 VAL 3 12.074 5.982 13.435
21 HG12 VAL 3 2HG1 VAL 3 12.916 7.477 13.840
22 HG13 VAL 3 3HG1 VAL 3 13.446 5.949 14.543
23 HG21 VAL 3 3HG2 VAL 3 16.016 5.630 12.157
24 HG22 VAL 3 1HG2 VAL 3 15.412 5.271 13.774
25 HG23 VAL 3 2HG2 VAL 3 15.810 6.930 13.330
26 H PHE 4 H PHE 4 11.706 3.403 10.872
27 HA PHE 4 HA PHE 4 10.178 5.073 9.181
28 HB2 PHE 4 2HB PHE 4 9.808 2.370 10.395
29 HB3 PHE 4 1HB PHE 4 8.406 3.165 9.691
30 HD1 PHE 4 2HD PHE 4 11.980 3.044 8.605
31 HD2 PHE 4 1HD PHE 4 7.923 2.118 7.716
32 HE1 PHE 4 2HE PHE 4 12.652 2.250 6.375
33 HE2 PHE 4 1HE PHE 4 8.587 1.319 5.489
34 HZ PHE 4 HZ PHE 4 10.955 1.385 4.815
35 H HIS 5 H HIS 5 7.885 5.649 9.484
36 HA HIS 5 HA HIS 5 7.513 6.938 12.049
37 HB2 HIS 5 2HB HIS 5 6.931 7.846 9.647
38 HB3 HIS 5 1HB HIS 5 5.426 6.968 9.898
39 HD1 HIS 5 1HD HIS 5 3.698 8.033 11.403
40 HD2 HIS 5 2HD HIS 5 7.366 9.986 11.512
41 HE1 HIS 5 1HE HIS 5 3.291 10.159 12.685
42 HE2 HIS 5 2HE HIS 5 5.520 11.336 12.718
43 H ASP 6 H ASP 6 5.494 4.761 10.046
44 HA ASP 6 HA ASP 6 4.747 3.215 12.362
45 HB2 ASP 6 2HB ASP 6 2.876 5.187 11.123
46 HB3 ASP 6 1HB ASP 6 2.221 3.644 11.660
47 H GLU 7 H GLU 7 3.308 1.382 11.785
48 HA GLU 7 HA GLU 7 3.746 0.554 8.990
49 HB2 GLU 7 2HB GLU 7 3.213 -1.309 11.301
50 HB3 GLU 7 1HB GLU 7 3.836 -1.711 9.708
51 HG2 GLU 7 2HG GLU 7 5.787 -0.091 10.468
52 HG3 GLU 7 1HG GLU 7 5.229 -0.577 12.067
53 H VAL 8 H VAL 8 2.039 -0.035 7.749
54 HA VAL 8 HA VAL 8 -0.583 -0.366 9.041
55 HB VAL 8 HB VAL 8 -0.188 1.253 6.522
56 HG11 VAL 8 1HG1 VAL 8 -2.427 -0.022 7.364
57 HG12 VAL 8 2HG1 VAL 8 -2.425 1.448 6.393
58 HG13 VAL 8 3HG1 VAL 8 -2.624 1.547 8.141
59 HG21 VAL 8 3HG2 VAL 8 0.632 2.804 7.946
60 HG22 VAL 8 1HG2 VAL 8 -0.092 2.044 9.362
61 HG23 VAL 8 2HG2 VAL 8 -1.074 3.058 8.309
62 H GLU 9 H GLU 9 -1.923 -1.860 8.122
63 HA GLU 9 HA GLU 9 -0.772 -3.840 6.453
64 HB2 GLU 9 2HB GLU 9 -3.554 -3.373 7.498
65 HB3 GLU 9 1HB GLU 9 -3.217 -4.674 6.366
66 HG2 GLU 9 2HG GLU 9 -1.873 -5.814 7.883
67 HG3 GLU 9 1HG GLU 9 -1.647 -4.390 8.897
68 H ILE 10 H ILE 10 -1.027 -4.293 4.327
69 HA ILE 10 HA ILE 10 -1.451 -2.235 2.499
70 HB ILE 10 HB ILE 10 -0.173 -4.297 2.010
71 HG12 ILE 10 2HG1 ILE 10 -1.552 -4.660 -0.305
72 HG13 ILE 10 1HG1 ILE 10 -2.217 -3.122 0.234
73 HG21 ILE 10 1HG2 ILE 10 -1.243 -6.353 1.430
74 HG22 ILE 10 2HG2 ILE 10 -2.843 -5.633 1.604
75 HG23 ILE 10 3HG2 ILE 10 -1.824 -5.869 3.024
76 HD11 ILE 10 3HD1 ILE 10 -0.153 -3.145 -1.304
77 HD12 ILE 10 1HD1 ILE 10 0.735 -3.538 0.167
78 HD13 ILE 10 2HD1 ILE 10 -0.189 -2.040 0.069
79 H GLU 11 H GLU 11 -3.723 -4.503 3.905
80 HA GLU 11 HA GLU 11 -5.830 -4.256 2.071
81 HB2 GLU 11 2HB GLU 11 -6.060 -4.646 5.063
82 HB3 GLU 11 1HB GLU 11 -7.274 -5.054 3.857
83 HG2 GLU 11 2HG GLU 11 -5.796 -6.745 2.918
84 HG3 GLU 11 1HG GLU 11 -4.550 -6.319 4.087
85 H ASP 12 H ASP 12 -4.749 -2.175 4.677
86 HA ASP 12 HA ASP 12 -7.057 -0.504 4.766
87 HB2 ASP 12 2HB ASP 12 -4.212 -0.023 5.682
88 HB3 ASP 12 1HB ASP 12 -5.550 1.074 5.997
89 H PHE 13 H PHE 13 -4.150 -0.571 2.821
90 HA PHE 13 HA PHE 13 -4.230 2.070 1.827
91 HB2 PHE 13 2HB PHE 13 -2.994 -0.491 0.856
92 HB3 PHE 13 1HB PHE 13 -2.954 0.949 -0.151
93 HD1 PHE 13 1HD PHE 13 -2.305 0.119 3.446
94 HD2 PHE 13 2HD PHE 13 -1.003 2.112 -0.082
95 HE1 PHE 13 1HE PHE 13 -0.293 0.896 4.630
96 HE2 PHE 13 2HE PHE 13 1.007 2.892 1.094
97 HZ PHE 13 HZ PHE 13 1.365 2.285 3.453
98 H GLN 14 H GLN 14 -4.538 2.496 -0.600
99 HA GLN 14 HA GLN 14 -7.137 1.377 -1.406
100 HB2 GLN 14 2HB GLN 14 -6.503 3.981 -1.036
101 HB3 GLN 14 1HB GLN 14 -6.105 3.813 -2.740
102 HG2 GLN 14 2HG GLN 14 -8.692 2.663 -2.015
103 HG3 GLN 14 1HG GLN 14 -8.571 4.398 -1.730
104 HE21 GLN 14 1HE2 GLN 14 -7.997 5.761 -3.524
105 HE22 GLN 14 2HE2 GLN 14 -8.369 5.266 -5.137
106 H TYR 15 H TYR 15 -6.895 -0.220 -2.853
107 HA TYR 15 HA TYR 15 -4.624 -0.524 -4.515
108 HB2 TYR 15 2HB TYR 15 -6.014 -2.437 -3.843
109 HB3 TYR 15 1HB TYR 15 -7.363 -1.790 -4.771
110 HD1 TYR 15 1HD TYR 15 -3.845 -2.961 -5.166
111 HD2 TYR 15 2HD TYR 15 -7.652 -2.436 -6.988
112 HE1 TYR 15 1HE TYR 15 -3.056 -4.184 -7.147
113 HE2 TYR 15 2HE TYR 15 -6.877 -3.658 -8.975
114 HH TYR 15 HH TYR 15 -5.033 -5.453 -9.431
115 H ASP 16 H ASP 16 -4.111 0.597 -6.261
116 HA ASP 16 HA ASP 16 -6.220 2.016 -7.724
117 HB2 ASP 16 2HB ASP 16 -3.325 2.505 -7.230
118 HB3 ASP 16 1HB ASP 16 -3.978 3.051 -8.768
119 H GLU 17 H GLU 17 -6.998 0.376 -9.025
120 HA GLU 17 HA GLU 17 -5.536 -1.492 -10.476
121 HB2 GLU 17 2HB GLU 17 -7.556 -1.557 -11.994
122 HB3 GLU 17 1HB GLU 17 -7.869 -1.825 -10.287
123 HG2 GLU 17 2HG GLU 17 -8.813 0.318 -10.021
124 HG3 GLU 17 1HG GLU 17 -8.199 0.867 -11.579
125 H ASP 18 H ASP 18 -6.146 1.875 -11.198
126 HA ASP 18 HA ASP 18 -5.776 2.041 -13.904
127 HB2 ASP 18 2HB ASP 18 -4.857 4.313 -13.506
128 HB3 ASP 18 1HB ASP 18 -6.314 3.983 -12.574
129 H SER 19 H SER 19 -3.276 1.615 -11.436
130 HA SER 19 HA SER 19 -1.441 0.688 -13.487
131 HB2 SER 19 2HB SER 19 -1.129 3.210 -13.234
132 HB3 SER 19 1HB SER 19 -0.502 2.868 -11.622
133 HG SER 19 HG SER 19 1.322 2.446 -12.554
134 H GLU 20 H GLU 20 -2.846 -0.463 -11.132
135 HA GLU 20 HA GLU 20 -2.472 -1.776 -9.296
136 HB2 GLU 20 2HB GLU 20 0.107 -2.384 -10.741
137 HB3 GLU 20 1HB GLU 20 -0.736 -3.427 -9.603
138 HG2 GLU 20 2HG GLU 20 -2.316 -4.049 -11.132
139 HG3 GLU 20 1HG GLU 20 -2.186 -2.546 -12.043
140 H THR 21 H THR 21 -2.156 0.366 -8.110
141 HA THR 21 HA THR 21 0.407 0.241 -6.683
142 HB THR 21 HB THR 21 -0.886 2.821 -7.607
143 HG1 THR 21 1HG THR 21 0.097 2.030 -9.373
144 HG21 THR 21 3HG2 THR 21 1.133 3.916 -6.848
145 HG22 THR 21 1HG2 THR 21 1.768 2.379 -6.263
146 HG23 THR 21 2HG2 THR 21 0.339 3.086 -5.510
147 H TYR 22 H TYR 22 0.334 1.110 -4.510
148 HA TYR 22 HA TYR 22 -2.407 1.240 -3.420
149 HB2 TYR 22 2HB TYR 22 0.081 0.167 -2.068
150 HB3 TYR 22 1HB TYR 22 -1.517 0.270 -1.338
151 HD1 TYR 22 1HD TYR 22 0.314 -1.285 -4.183
152 HD2 TYR 22 2HD TYR 22 -3.017 -1.504 -1.546
153 HE1 TYR 22 1HE TYR 22 -0.222 -3.518 -5.054
154 HE2 TYR 22 2HE TYR 22 -3.561 -3.738 -2.410
155 HH TYR 22 HH TYR 22 -1.850 -5.675 -3.684
156 H PHE 23 H PHE 23 -2.917 2.870 -2.010
157 HA PHE 23 HA PHE 23 -0.775 4.760 -1.290
158 HB2 PHE 23 2HB PHE 23 -3.533 5.558 -2.251
159 HB3 PHE 23 1HB PHE 23 -2.234 6.649 -1.788
160 HD1 PHE 23 1HD PHE 23 -2.991 3.911 -4.195
161 HD2 PHE 23 2HD PHE 23 -0.841 7.505 -3.429
162 HE1 PHE 23 1HE PHE 23 -2.176 3.915 -6.511
163 HE2 PHE 23 2HE PHE 23 -0.026 7.513 -5.749
164 HZ PHE 23 HZ PHE 23 -0.691 5.715 -7.294
165 H TYR 24 H TYR 24 -1.146 6.030 0.605
166 HA TYR 24 HA TYR 24 -3.345 5.102 2.325
167 HB2 TYR 24 2HB TYR 24 -1.099 3.984 2.837
168 HB3 TYR 24 1HB TYR 24 -0.566 5.565 3.397
169 HD1 TYR 24 2HD TYR 24 -3.561 3.363 3.852
170 HD2 TYR 24 1HD TYR 24 -0.649 5.870 5.680
171 HE1 TYR 24 2HE TYR 24 -4.563 2.914 6.050
172 HE2 TYR 24 1HE TYR 24 -1.644 5.425 7.884
173 HH TYR 24 HH TYR 24 -4.661 4.089 8.309
174 HA PRO 25 HA PRO 25 -4.094 9.448 2.840
175 HB2 PRO 25 2HB PRO 25 -5.224 8.642 5.463
176 HB3 PRO 25 1HB PRO 25 -5.973 9.546 4.142
177 HG2 PRO 25 2HG PRO 25 -6.641 7.008 4.610
178 HG3 PRO 25 1HG PRO 25 -6.505 7.630 2.954
179 HD2 PRO 25 2HD PRO 25 -4.594 5.923 4.501
180 HD3 PRO 25 1HD PRO 25 -5.050 5.839 2.787
181 H CYS 26 H CYS 26 -2.626 10.902 3.432
182 HA CYS 26 HA CYS 26 -0.950 10.384 5.779
183 HB2 CYS 26 2HB CYS 26 -0.328 11.275 3.223
184 HB3 CYS 26 1HB CYS 26 -0.262 12.740 4.199
185 HA PRO 27 HA PRO 27 -3.041 13.465 8.177
186 HB2 PRO 27 2HB PRO 27 -1.036 14.157 9.880
187 HB3 PRO 27 1HB PRO 27 -1.940 12.645 10.012
188 HG2 PRO 27 2HG PRO 27 0.751 13.144 8.801
189 HG3 PRO 27 1HG PRO 27 0.220 11.807 9.835
190 HD2 PRO 27 2HD PRO 27 0.445 11.565 7.152
191 HD3 PRO 27 1HD PRO 27 -0.784 10.687 8.087
192 H CYS 28 H CYS 28 -0.195 14.192 6.331
193 HA CYS 28 HA CYS 28 -0.144 16.997 6.941
194 HB2 CYS 28 2HB CYS 28 1.532 17.151 5.164
195 HB3 CYS 28 1HB CYS 28 1.894 15.813 6.249
196 H GLY 29 H GLY 29 -1.627 14.975 4.476
197 HA2 GLY 29 2HA GLY 29 -3.761 16.373 3.768
198 HA3 GLY 29 1HA GLY 29 -2.516 17.304 2.951
199 H ASP 30 H ASP 30 -0.825 15.374 2.040
200 HA ASP 30 HA ASP 30 -2.316 14.288 -0.177
201 HB2 ASP 30 2HB ASP 30 0.226 15.247 0.109
202 HB3 ASP 30 1HB ASP 30 0.517 13.512 0.148
203 H ASN 31 H ASN 31 -1.039 11.932 -0.776
204 HA ASN 31 HA ASN 31 -1.468 10.178 1.537
205 HB2 ASN 31 2HB ASN 31 -2.552 9.551 -1.216
206 HB3 ASN 31 1HB ASN 31 -2.800 8.630 0.262
207 HD21 ASN 31 1HD2 ASN 31 -4.494 10.279 -1.780
208 HD22 ASN 31 2HD2 ASN 31 -5.577 11.143 -0.746
209 H PHE 32 H PHE 32 -0.178 8.380 1.620
210 HA PHE 32 HA PHE 32 2.288 8.434 0.258
211 HB2 PHE 32 2HB PHE 32 0.913 6.442 2.029
212 HB3 PHE 32 1HB PHE 32 2.401 5.993 1.205
213 HD1 PHE 32 2HD PHE 32 4.428 7.540 1.544
214 HD2 PHE 32 1HD PHE 32 0.998 7.562 4.065
215 HE1 PHE 32 2HE PHE 32 5.751 8.598 3.328
216 HE2 PHE 32 1HE PHE 32 2.317 8.621 5.852
217 HZ PHE 32 HZ PHE 32 4.697 9.139 5.485
218 H SER 33 H SER 33 3.158 6.460 -0.973
219 HA SER 33 HA SER 33 1.178 5.105 -2.618
220 HB2 SER 33 2HB SER 33 2.214 5.862 -4.736
221 HB3 SER 33 1HB SER 33 1.508 7.199 -3.829
222 HG SER 33 HG SER 33 3.573 7.775 -3.143
223 H ILE 34 H ILE 34 1.853 3.170 -3.394
224 HA ILE 34 HA ILE 34 4.663 2.477 -3.500
225 HB ILE 34 HB ILE 34 4.164 1.997 -1.157
226 HG12 ILE 34 2HG1 ILE 34 4.236 -0.691 -2.486
227 HG13 ILE 34 1HG1 ILE 34 5.564 0.441 -2.726
228 HG21 ILE 34 1HG2 ILE 34 2.337 0.909 -0.394
229 HG22 ILE 34 2HG2 ILE 34 2.290 -0.199 -1.765
230 HG23 ILE 34 3HG2 ILE 34 1.648 1.435 -1.930
231 HD11 ILE 34 3HD1 ILE 34 6.368 0.120 -0.668
232 HD12 ILE 34 1HD1 ILE 34 5.420 -1.365 -0.726
233 HD13 ILE 34 2HD1 ILE 34 4.763 0.067 0.064
234 H THR 35 H THR 35 4.976 1.276 -5.269
235 HA THR 35 HA THR 35 2.778 0.316 -6.817
236 HB THR 35 HB THR 35 4.744 -0.747 -8.167
237 HG1 THR 35 1HG THR 35 6.739 0.064 -7.685
238 HG21 THR 35 3HG2 THR 35 4.388 1.009 -9.452
239 HG22 THR 35 1HG2 THR 35 5.434 1.975 -8.413
240 HG23 THR 35 2HG2 THR 35 3.702 1.896 -8.090
241 H LYS 36 H LYS 36 2.240 -1.816 -7.376
242 HA LYS 36 HA LYS 36 2.258 -3.704 -5.301
243 HB2 LYS 36 2HB LYS 36 0.567 -3.695 -7.078
244 HB3 LYS 36 1HB LYS 36 1.789 -4.145 -8.258
245 HG2 LYS 36 2HG LYS 36 1.010 -6.217 -7.884
246 HG3 LYS 36 1HG LYS 36 2.084 -6.155 -6.486
247 HD2 LYS 36 2HD LYS 36 0.312 -5.639 -5.019
248 HD3 LYS 36 1HD LYS 36 -0.777 -5.246 -6.350
249 HE2 LYS 36 2HE LYS 36 -0.314 -7.755 -7.017
250 HE3 LYS 36 1HE LYS 36 0.074 -7.903 -5.304
251 HZ1 LYS 36 3HZ LYS 36 -2.391 -6.498 -5.828
252 HZ2 LYS 36 1HZ LYS 36 -2.067 -7.749 -4.735
253 HZ3 LYS 36 2HZ LYS 36 -2.401 -8.106 -6.352
254 H GLU 37 H GLU 37 4.362 -3.330 -8.116
255 HA GLU 37 HA GLU 37 5.725 -5.774 -7.945
256 HB2 GLU 37 2HB GLU 37 5.784 -3.955 -9.793
257 HB3 GLU 37 1HB GLU 37 7.067 -3.235 -8.829
258 HG2 GLU 37 2HG GLU 37 8.245 -5.457 -8.947
259 HG3 GLU 37 1HG GLU 37 7.042 -5.935 -10.142
260 H ASP 38 H ASP 38 6.275 -2.676 -6.324
261 HA ASP 38 HA ASP 38 8.776 -3.179 -5.189
262 HB2 ASP 38 2HB ASP 38 6.492 -1.385 -4.543
263 HB3 ASP 38 1HB ASP 38 7.657 -1.670 -3.258
264 H LEU 39 H LEU 39 5.533 -3.846 -3.911
265 HA LEU 39 HA LEU 39 6.315 -4.939 -1.452
266 HB2 LEU 39 2HB LEU 39 3.909 -5.756 -3.075
267 HB3 LEU 39 1HB LEU 39 4.109 -5.903 -1.340
268 HG LEU 39 HG LEU 39 4.159 -3.208 -2.661
269 HD11 LEU 39 1HD1 LEU 39 2.119 -4.371 -3.396
270 HD12 LEU 39 2HD1 LEU 39 1.778 -3.007 -2.331
271 HD13 LEU 39 3HD1 LEU 39 1.694 -4.655 -1.708
272 HD21 LEU 39 3HD2 LEU 39 3.640 -2.385 -0.523
273 HD22 LEU 39 1HD2 LEU 39 4.863 -3.627 -0.249
274 HD23 LEU 39 2HD2 LEU 39 3.164 -3.976 0.069
275 H GLU 40 H GLU 40 5.684 -6.537 -4.582
276 HA GLU 40 HA GLU 40 6.119 -9.171 -3.722
277 HB2 GLU 40 2HB GLU 40 6.502 -7.901 -6.430
278 HB3 GLU 40 1HB GLU 40 6.647 -9.629 -6.142
279 HG2 GLU 40 2HG GLU 40 4.291 -9.509 -5.198
280 HG3 GLU 40 1HG GLU 40 4.209 -7.902 -5.919
281 H ASN 41 H ASN 41 8.390 -6.632 -4.502
282 HA ASN 41 HA ASN 41 10.646 -8.458 -4.635
283 HB2 ASN 41 2HB ASN 41 10.217 -5.555 -5.118
284 HB3 ASN 41 1HB ASN 41 11.833 -6.065 -4.643
285 HD21 ASN 41 1HD2 ASN 41 9.466 -6.030 -7.121
286 HD22 ASN 41 2HD2 ASN 41 10.419 -6.785 -8.346
287 H GLY 42 H GLY 42 9.302 -6.066 -2.411
288 HA2 GLY 42 2HA GLY 42 9.770 -6.864 -0.013
289 HA3 GLY 42 1HA GLY 42 11.450 -6.661 -0.485
290 H GLU 43 H GLU 43 9.938 -4.277 -2.134
291 HA GLU 43 HA GLU 43 10.791 -2.231 -0.318
292 HB2 GLU 43 2HB GLU 43 9.549 -2.270 -3.051
293 HB3 GLU 43 1HB GLU 43 9.586 -0.768 -2.137
294 HG2 GLU 43 2HG GLU 43 11.961 -2.432 -2.930
295 HG3 GLU 43 1HG GLU 43 11.466 -0.895 -3.642
296 H ASP 44 H ASP 44 9.430 -2.850 1.462
297 HA ASP 44 HA ASP 44 6.564 -2.345 1.226
298 HB2 ASP 44 2HB ASP 44 8.077 -3.102 3.731
299 HB3 ASP 44 1HB ASP 44 6.359 -3.283 3.415
300 H VAL 45 H VAL 45 8.306 -0.096 0.830
301 HA VAL 45 HA VAL 45 7.616 1.537 3.181
302 HB VAL 45 HB VAL 45 10.043 1.227 3.090
303 HG11 VAL 45 1HG1 VAL 45 9.930 2.568 0.389
304 HG12 VAL 45 2HG1 VAL 45 10.255 0.857 0.664
305 HG13 VAL 45 3HG1 VAL 45 11.385 2.075 1.254
306 HG21 VAL 45 3HG2 VAL 45 10.705 3.612 3.083
307 HG22 VAL 45 1HG2 VAL 45 9.221 3.313 3.989
308 HG23 VAL 45 2HG2 VAL 45 9.142 4.016 2.374
309 H ALA 46 H ALA 46 6.452 3.318 2.822
310 HA ALA 46 HA ALA 46 6.060 4.168 0.026
311 HB1 ALA 46 1HB ALA 46 4.045 5.039 1.966
312 HB2 ALA 46 2HB ALA 46 4.137 3.291 1.749
313 HB3 ALA 46 3HB ALA 46 3.850 4.338 0.360
314 H THR 47 H THR 47 6.546 6.212 -0.513
315 HA THR 47 HA THR 47 7.249 8.061 1.670
316 HB THR 47 HB THR 47 8.389 8.125 -1.127
317 HG1 THR 47 1HG THR 47 9.355 6.819 1.192
318 HG21 THR 47 3HG2 THR 47 9.768 9.766 -0.471
319 HG22 THR 47 1HG2 THR 47 9.939 9.119 1.160
320 HG23 THR 47 2HG2 THR 47 8.518 10.070 0.734
321 H CYS 48 H CYS 48 6.236 9.946 1.778
322 HA CYS 48 HA CYS 48 4.228 10.574 -0.240
323 HB2 CYS 48 2HB CYS 48 3.616 10.554 2.173
324 HB3 CYS 48 1HB CYS 48 4.743 11.879 2.445
325 HA PRO 49 HA PRO 49 7.104 13.429 -2.194
326 HB2 PRO 49 2HB PRO 49 4.557 14.440 -3.348
327 HB3 PRO 49 1HB PRO 49 6.050 13.962 -4.163
328 HG2 PRO 49 2HG PRO 49 3.912 12.384 -4.228
329 HG3 PRO 49 1HG PRO 49 5.538 11.699 -4.054
330 HD2 PRO 49 2HD PRO 49 3.412 12.094 -1.988
331 HD3 PRO 49 1HD PRO 49 4.558 10.751 -2.189
332 H SER 50 H SER 50 4.337 14.273 -0.247
333 HA SER 50 HA SER 50 4.867 17.109 -0.295
334 HB2 SER 50 2HB SER 50 2.926 15.388 1.251
335 HB3 SER 50 1HB SER 50 3.086 17.122 1.538
336 HG SER 50 HG SER 50 2.145 15.768 -0.739
337 H CYS 51 H CYS 51 4.559 14.976 2.562
338 HA CYS 51 HA CYS 51 6.366 16.628 4.060
339 HB2 CYS 51 2HB CYS 51 6.033 14.929 5.860
340 HB3 CYS 51 1HB CYS 51 4.534 15.610 5.238
341 H SER 52 H SER 52 6.683 13.734 2.164
342 HA SER 52 HA SER 52 8.485 12.506 1.536
343 HB2 SER 52 2HB SER 52 9.503 15.004 1.766
344 HB3 SER 52 1HB SER 52 10.488 14.160 2.960
345 HG SER 52 HG SER 52 10.134 13.370 0.253
346 H LEU 53 H LEU 53 7.081 11.783 3.819
347 HA LEU 53 HA LEU 53 9.080 10.948 5.779
348 HB2 LEU 53 2HB LEU 53 6.186 11.393 5.783
349 HB3 LEU 53 1HB LEU 53 6.658 9.917 6.602
350 HG LEU 53 HG LEU 53 8.185 11.227 8.045
351 HD11 LEU 53 1HD1 LEU 53 8.546 13.448 7.852
352 HD12 LEU 53 2HD1 LEU 53 6.909 13.779 7.286
353 HD13 LEU 53 3HD1 LEU 53 8.118 13.149 6.169
354 HD21 LEU 53 3HD2 LEU 53 5.726 10.723 8.540
355 HD22 LEU 53 1HD2 LEU 53 5.437 12.423 8.170
356 HD23 LEU 53 2HD2 LEU 53 6.514 11.978 9.495
357 H ILE 54 H ILE 54 8.364 8.608 6.709
358 HA ILE 54 HA ILE 54 8.157 6.787 4.404
359 HB ILE 54 HB ILE 54 9.755 5.265 5.653
360 HG12 ILE 54 2HG1 ILE 54 10.408 7.835 7.118
361 HG13 ILE 54 1HG1 ILE 54 9.628 6.429 7.833
362 HG21 ILE 54 1HG2 ILE 54 10.714 6.128 3.766
363 HG22 ILE 54 2HG2 ILE 54 11.776 6.821 4.990
364 HG23 ILE 54 3HG2 ILE 54 10.493 7.800 4.280
365 HD11 ILE 54 3HD1 ILE 54 11.811 6.162 8.490
366 HD12 ILE 54 1HD1 ILE 54 12.456 6.792 6.976
367 HD13 ILE 54 2HD1 ILE 54 11.754 5.176 7.030
368 H ILE 55 H ILE 55 7.048 4.890 4.719
369 HA ILE 55 HA ILE 55 6.022 4.261 7.383
370 HB ILE 55 HB ILE 55 3.723 3.921 6.496
371 HG12 ILE 55 2HG1 ILE 55 4.234 5.759 4.222
372 HG13 ILE 55 1HG1 ILE 55 4.791 4.102 4.025
373 HG21 ILE 55 1HG2 ILE 55 4.778 6.740 6.349
374 HG22 ILE 55 2HG2 ILE 55 4.233 5.894 7.797
375 HG23 ILE 55 3HG2 ILE 55 3.081 6.291 6.522
376 HD11 ILE 55 3HD1 ILE 55 2.732 3.690 3.295
377 HD12 ILE 55 1HD1 ILE 55 2.097 5.190 3.969
378 HD13 ILE 55 2HD1 ILE 55 2.253 3.763 4.991
379 H LYS 56 H LYS 56 5.473 2.087 7.679
380 HA LYS 56 HA LYS 56 6.559 0.296 5.645
381 HB2 LYS 56 2HB LYS 56 7.293 0.076 8.015
382 HB3 LYS 56 1HB LYS 56 5.644 -0.351 8.452
383 HG2 LYS 56 2HG LYS 56 6.428 -2.446 8.225
384 HG3 LYS 56 1HG LYS 56 6.078 -2.163 6.520
385 HD2 LYS 56 2HD LYS 56 8.361 -1.594 6.077
386 HD3 LYS 56 1HD LYS 56 8.750 -1.614 7.798
387 HE2 LYS 56 2HE LYS 56 7.591 -4.089 6.664
388 HE3 LYS 56 1HE LYS 56 9.231 -3.681 6.159
389 HZ1 LYS 56 3HZ LYS 56 9.348 -5.055 8.088
390 HZ2 LYS 56 1HZ LYS 56 8.264 -4.073 8.940
391 HZ3 LYS 56 2HZ LYS 56 9.806 -3.493 8.550
392 H VAL 57 H VAL 57 5.475 -1.162 4.536
393 HA VAL 57 HA VAL 57 2.554 -1.172 4.850
394 HB VAL 57 HB VAL 57 3.743 -2.216 2.339
395 HG11 VAL 57 1HG1 VAL 57 1.827 -0.903 1.418
396 HG12 VAL 57 2HG1 VAL 57 1.418 -0.458 3.074
397 HG13 VAL 57 3HG1 VAL 57 1.369 -2.150 2.578
398 HG21 VAL 57 3HG2 VAL 57 3.626 0.371 1.631
399 HG22 VAL 57 1HG2 VAL 57 5.115 -0.417 2.148
400 HG23 VAL 57 2HG2 VAL 57 4.189 0.555 3.291
401 H ILE 58 H ILE 58 1.827 -2.915 5.854
402 HA ILE 58 HA ILE 58 3.321 -5.415 5.751
403 HB ILE 58 HB ILE 58 0.787 -4.860 7.298
404 HG12 ILE 58 2HG1 ILE 58 2.545 -3.252 7.940
405 HG13 ILE 58 1HG1 ILE 58 2.204 -4.392 9.236
406 HG21 ILE 58 1HG2 ILE 58 2.088 -6.694 8.738
407 HG22 ILE 58 2HG2 ILE 58 2.706 -7.107 7.139
408 HG23 ILE 58 3HG2 ILE 58 0.969 -7.114 7.442
409 HD11 ILE 58 3HD1 ILE 58 4.263 -5.597 7.864
410 HD12 ILE 58 1HD1 ILE 58 4.403 -4.669 9.358
411 HD13 ILE 58 2HD1 ILE 58 4.671 -3.883 7.802
412 H TYR 59 H TYR 59 2.690 -7.201 4.682
413 HA TYR 59 HA TYR 59 -0.022 -7.493 3.690
414 HB2 TYR 59 2HB TYR 59 0.752 -7.808 1.333
415 HB3 TYR 59 1HB TYR 59 0.960 -6.157 1.913
416 HD1 TYR 59 2HD TYR 59 2.790 -9.354 1.441
417 HD2 TYR 59 1HD TYR 59 3.061 -5.123 1.790
418 HE1 TYR 59 2HE TYR 59 5.177 -9.470 0.890
419 HE2 TYR 59 1HE TYR 59 5.455 -5.221 1.239
420 HH TYR 59 HH TYR 59 7.292 -6.838 1.297
421 H ASP 60 H ASP 60 0.081 -9.596 2.108
422 HA ASP 60 HA ASP 60 1.242 -11.670 3.789
423 HB2 ASP 60 2HB ASP 60 -1.179 -11.553 2.614
424 HB3 ASP 60 1HB ASP 60 -0.294 -12.410 1.356
425 H LYS 61 H LYS 61 3.369 -11.924 3.375
426 HA LYS 61 HA LYS 61 4.624 -11.600 0.885
427 HB2 LYS 61 2HB LYS 61 5.475 -13.216 3.292
428 HB3 LYS 61 1HB LYS 61 6.504 -12.909 1.900
429 HG2 LYS 61 2HG LYS 61 5.321 -10.508 3.096
430 HG3 LYS 61 1HG LYS 61 6.432 -11.392 4.143
431 HD2 LYS 61 2HD LYS 61 8.080 -11.364 2.240
432 HD3 LYS 61 1HD LYS 61 6.988 -10.257 1.406
433 HE2 LYS 61 2HE LYS 61 7.281 -8.576 3.017
434 HE3 LYS 61 1HE LYS 61 7.980 -9.699 4.183
435 HZ1 LYS 61 3HZ LYS 61 9.230 -8.357 1.915
436 HZ2 LYS 61 1HZ LYS 61 9.753 -9.931 2.253
437 HZ3 LYS 61 2HZ LYS 61 9.867 -8.729 3.437
438 H ASP 62 H ASP 62 2.997 -14.356 2.316
439 HA ASP 62 HA ASP 62 4.004 -16.355 0.590
440 HB2 ASP 62 2HB ASP 62 2.457 -16.419 2.797
441 HB3 ASP 62 1HB ASP 62 1.217 -16.633 1.565
442 H GLN 63 H GLN 63 1.372 -14.042 0.277
443 HA GLN 63 HA GLN 63 0.355 -15.257 -2.144
444 HB2 GLN 63 2HB GLN 63 -0.315 -12.722 -0.658
445 HB3 GLN 63 1HB GLN 63 -1.048 -13.127 -2.204
446 HG2 GLN 63 2HG GLN 63 -1.498 -15.409 -0.842
447 HG3 GLN 63 1HG GLN 63 -1.528 -14.237 0.473
448 HE21 GLN 63 1HE2 GLN 63 -3.723 -15.798 -0.465
449 HE22 GLN 63 2HE2 GLN 63 -4.925 -14.700 -1.046
450 H PHE 64 H PHE 64 2.251 -12.389 -1.262
451 HA PHE 64 HA PHE 64 2.453 -11.400 -3.932
452 HB2 PHE 64 2HB PHE 64 3.772 -10.729 -1.326
453 HB3 PHE 64 1HB PHE 64 4.454 -10.099 -2.821
454 HD1 PHE 64 2HD PHE 64 1.343 -10.208 -0.800
455 HD2 PHE 64 1HD PHE 64 3.536 -8.216 -3.856
456 HE1 PHE 64 2HE PHE 64 -0.290 -8.370 -0.770
457 HE2 PHE 64 1HE PHE 64 1.908 -6.375 -3.828
458 HZ PHE 64 HZ PHE 64 -0.009 -6.449 -2.285
459 H VAL 65 H VAL 65 5.169 -12.453 -1.855
460 HA VAL 65 HA VAL 65 6.369 -13.692 -4.242
461 HB VAL 65 HB VAL 65 7.614 -11.733 -3.504
462 HG11 VAL 65 1HG1 VAL 65 6.954 -12.463 -0.953
463 HG12 VAL 65 2HG1 VAL 65 8.146 -11.239 -1.389
464 HG13 VAL 65 3HG1 VAL 65 8.664 -12.887 -1.036
465 HG21 VAL 65 3HG2 VAL 65 9.753 -13.304 -2.742
466 HG22 VAL 65 1HG2 VAL 65 9.276 -12.922 -4.395
467 HG23 VAL 65 2HG2 VAL 65 8.721 -14.414 -3.639
468 H SER 66 H SER 66 5.631 -15.765 -3.958
469 HA SER 66 HA SER 66 6.248 -17.127 -1.436
470 HB2 SER 66 2HB SER 66 3.960 -17.184 -2.870
471 HB3 SER 66 1HB SER 66 4.785 -18.575 -3.569
472 HG SER 66 HG SER 66 4.463 -19.639 -1.786
473 H GLY 67 H GLY 67 8.425 -16.493 -3.202
474 HA2 GLY 67 2HA GLY 67 10.336 -17.527 -3.966
475 HA3 GLY 67 1HA GLY 67 9.678 -19.044 -3.369
476 H GLU 68 H GLU 68 8.153 -20.195 -4.732
477 HA GLU 68 HA GLU 68 8.724 -19.778 -7.587
478 HB2 GLU 68 2HB GLU 68 8.096 -22.181 -5.923
479 HB3 GLU 68 1HB GLU 68 7.646 -22.197 -7.623
480 HG2 GLU 68 2HG GLU 68 9.869 -22.002 -8.330
481 HG3 GLU 68 1HG GLU 68 10.424 -21.524 -6.726
482 H THR 69 H THR 69 6.773 -18.152 -6.266
483 HA THR 69 HA THR 69 4.145 -19.122 -6.656
484 HB THR 69 HB THR 69 4.671 -17.255 -5.144
485 HG1 THR 69 1HG THR 69 2.809 -16.262 -5.528
486 HG21 THR 69 3HG2 THR 69 6.330 -16.130 -6.710
487 HG22 THR 69 1HG2 THR 69 5.220 -15.088 -5.822
488 HG23 THR 69 2HG2 THR 69 4.923 -15.446 -7.522
489 H VAL 70 H VAL 70 3.464 -19.793 -8.582
490 HA VAL 70 HA VAL 70 3.489 -17.921 -10.819
491 HB VAL 70 HB VAL 70 4.443 -20.761 -11.205
492 HG11 VAL 70 1HG1 VAL 70 3.390 -19.775 -13.157
493 HG12 VAL 70 2HG1 VAL 70 5.126 -19.943 -13.418
494 HG13 VAL 70 3HG1 VAL 70 4.442 -18.364 -13.034
495 HG21 VAL 70 3HG2 VAL 70 6.690 -19.774 -11.580
496 HG22 VAL 70 1HG2 VAL 70 6.132 -19.632 -9.915
497 HG23 VAL 70 2HG2 VAL 70 6.074 -18.233 -10.986
498 HA PRO 71 HA PRO 71 -0.680 -19.376 -11.298
499 HB2 PRO 71 2HB PRO 71 -0.235 -18.904 -14.198
500 HB3 PRO 71 1HB PRO 71 -1.483 -18.251 -13.133
501 HG2 PRO 71 2HG PRO 71 0.537 -16.728 -13.959
502 HG3 PRO 71 1HG PRO 71 -0.088 -16.593 -12.303
503 HD2 PRO 71 2HD PRO 71 2.391 -17.945 -13.292
504 HD3 PRO 71 1HD PRO 71 2.140 -16.989 -11.817
505 H ALA 72 H ALA 72 -1.968 -20.858 -12.831
506 HA ALA 72 HA ALA 72 -0.813 -23.427 -12.791
507 HB1 ALA 72 1HB ALA 72 -2.905 -23.850 -14.383
508 HB2 ALA 72 2HB ALA 72 -3.364 -22.266 -13.753
509 HB3 ALA 72 3HB ALA 72 -3.069 -23.606 -12.644
510 HA PRO 73 HA PRO 73 1.292 -23.839 -16.643
511 HB2 PRO 73 2HB PRO 73 0.698 -26.391 -17.368
512 HB3 PRO 73 1HB PRO 73 1.808 -25.997 -16.050
513 HG2 PRO 73 2HG PRO 73 -1.077 -26.787 -15.927
514 HG3 PRO 73 1HG PRO 73 0.275 -27.327 -14.914
515 HD2 PRO 73 2HD PRO 73 -1.483 -25.449 -14.091
516 HD3 PRO 73 1HD PRO 73 0.225 -25.421 -13.612
517 H SER 74 H SER 74 0.874 -23.124 -18.635
518 HA SER 74 HA SER 74 -1.264 -24.154 -20.233
519 HB2 SER 74 2HB SER 74 -2.115 -22.181 -18.588
520 HB3 SER 74 1HB SER 74 -1.562 -21.219 -19.958
521 HG SER 74 HG SER 74 -3.645 -21.733 -20.409
522 H ALA 75 H ALA 75 1.543 -24.037 -20.549
523 HA ALA 75 HA ALA 75 1.718 -22.335 -22.943
524 HB1 ALA 75 1HB ALA 75 3.081 -21.077 -21.601
525 HB2 ALA 75 2HB ALA 75 4.258 -22.214 -22.260
526 HB3 ALA 75 3HB ALA 75 3.602 -22.460 -20.640
527 H ASN 76 H ASN 76 3.915 -24.646 -21.343
528 HA ASN 76 HA ASN 76 4.934 -26.546 -22.044
529 HB2 ASN 76 2HB ASN 76 2.352 -27.004 -22.518
530 HB3 ASN 76 1HB ASN 76 2.920 -27.038 -24.183
531 HD21 ASN 76 1HD2 ASN 76 1.863 -29.280 -23.365
532 HD22 ASN 76 2HD2 ASN 76 3.055 -30.477 -23.007
533 H LYS 77 H LYS 77 6.821 -26.025 -22.981
534 HA LYS 77 HA LYS 77 6.795 -25.491 -25.879
535 HB2 LYS 77 2HB LYS 77 8.703 -24.264 -23.884
536 HB3 LYS 77 1HB LYS 77 8.656 -23.954 -25.613
537 HG2 LYS 77 2HG LYS 77 6.910 -22.533 -25.453
538 HG3 LYS 77 1HG LYS 77 6.159 -23.427 -24.131
539 HD2 LYS 77 2HD LYS 77 8.659 -21.782 -23.806
540 HD3 LYS 77 1HD LYS 77 7.038 -21.139 -23.540
541 HE2 LYS 77 2HE LYS 77 6.683 -22.985 -21.877
542 HE3 LYS 77 1HE LYS 77 8.390 -23.386 -22.054
543 HZ1 LYS 77 3HZ LYS 77 9.036 -21.552 -20.919
544 HZ2 LYS 77 1HZ LYS 77 7.518 -21.744 -20.198
545 HZ3 LYS 77 2HZ LYS 77 7.730 -20.609 -21.433
546 H GLU 78 H GLU 78 8.353 -26.492 -27.105
547 HA GLU 78 HA GLU 78 10.274 -28.224 -25.702
548 HB2 GLU 78 2HB GLU 78 9.884 -29.894 -27.595
549 HB3 GLU 78 1HB GLU 78 8.626 -29.766 -26.374
550 HG2 GLU 78 2HG GLU 78 8.284 -28.020 -28.714
551 HG3 GLU 78 1HG GLU 78 8.183 -29.749 -29.036
552 H LEU 79 H LEU 79 12.286 -27.740 -26.265
553 HA LEU 79 HA LEU 79 13.132 -27.503 -28.960
554 HB2 LEU 79 2HB LEU 79 13.923 -25.165 -28.879
555 HB3 LEU 79 1HB LEU 79 12.176 -25.300 -28.859
556 HG LEU 79 HG LEU 79 13.450 -25.135 -26.204
557 HD11 LEU 79 1HD1 LEU 79 13.195 -22.535 -27.598
558 HD12 LEU 79 2HD1 LEU 79 14.623 -23.508 -27.946
559 HD13 LEU 79 3HD1 LEU 79 14.269 -23.023 -26.289
560 HD21 LEU 79 3HD2 LEU 79 11.337 -23.266 -27.034
561 HD22 LEU 79 1HD2 LEU 79 11.455 -24.290 -25.604
562 HD23 LEU 79 2HD2 LEU 79 10.915 -24.975 -27.137
563 H VAL 80 H VAL 80 15.161 -28.194 -29.045
564 HA VAL 80 HA VAL 80 16.789 -28.079 -26.590
565 HB VAL 80 HB VAL 80 17.144 -30.011 -28.886
566 HG11 VAL 80 1HG1 VAL 80 19.089 -29.474 -27.349
567 HG12 VAL 80 2HG1 VAL 80 18.646 -31.174 -27.490
568 HG13 VAL 80 3HG1 VAL 80 18.162 -30.253 -26.066
569 HG21 VAL 80 3HG2 VAL 80 15.144 -30.787 -28.105
570 HG22 VAL 80 1HG2 VAL 80 15.395 -30.137 -26.485
571 HG23 VAL 80 2HG2 VAL 80 16.228 -31.610 -26.985
572 H LYS 81 H LYS 81 18.214 -26.463 -26.696
573 HA LYS 81 HA LYS 81 19.390 -25.720 -29.269
574 HB2 LYS 81 2HB LYS 81 19.046 -24.365 -26.639
575 HB3 LYS 81 1HB LYS 81 20.428 -23.898 -27.620
576 HG2 LYS 81 2HG LYS 81 18.494 -23.784 -29.479
577 HG3 LYS 81 1HG LYS 81 17.554 -23.406 -28.034
578 HD2 LYS 81 2HD LYS 81 18.741 -21.471 -27.607
579 HD3 LYS 81 1HD LYS 81 20.159 -22.020 -28.501
580 HE2 LYS 81 2HE LYS 81 19.306 -20.445 -29.942
581 HE3 LYS 81 1HE LYS 81 18.556 -21.917 -30.555
582 HZ1 LYS 81 3HZ LYS 81 16.721 -20.623 -30.414
583 HZ2 LYS 81 1HZ LYS 81 17.345 -19.649 -29.180
584 HZ3 LYS 81 2HZ LYS 81 16.713 -21.175 -28.815
585 H LEU 82 H LEU 82 21.210 -26.697 -29.844
586 HA LEU 82 HA LEU 82 23.132 -27.465 -27.746
587 HB2 LEU 82 2HB LEU 82 22.400 -28.718 -30.365
588 HB3 LEU 82 1HB LEU 82 23.998 -28.982 -29.692
589 HG LEU 82 HG LEU 82 21.468 -29.594 -28.173
590 HD11 LEU 82 1HD1 LEU 82 22.909 -31.158 -30.239
591 HD12 LEU 82 2HD1 LEU 82 21.197 -31.138 -29.818
592 HD13 LEU 82 3HD1 LEU 82 22.344 -32.020 -28.808
593 HD21 LEU 82 3HD2 LEU 82 23.295 -31.224 -27.150
594 HD22 LEU 82 1HD2 LEU 82 23.091 -29.568 -26.575
595 HD23 LEU 82 2HD2 LEU 82 24.379 -29.953 -27.716
596 H GLU 83 H GLU 83 24.976 -26.378 -27.681
597 HA GLU 83 HA GLU 83 26.103 -25.289 -30.159
598 HB2 GLU 83 2HB GLU 83 25.381 -23.759 -27.686
599 HB3 GLU 83 1HB GLU 83 26.759 -23.248 -28.650
600 HG2 GLU 83 2HG GLU 83 25.473 -22.431 -30.292
601 HG3 GLU 83 1HG GLU 83 24.315 -23.756 -30.185
602 H HIS 84 H HIS 84 27.858 -26.584 -30.264
603 HA HIS 84 HA HIS 84 29.603 -26.740 -27.895
604 HB2 HIS 84 2HB HIS 84 28.568 -28.836 -29.223
605 HB3 HIS 84 1HB HIS 84 30.031 -28.596 -30.174
606 HD1 HIS 84 1HD HIS 84 32.320 -28.588 -28.680
607 HD2 HIS 84 2HD HIS 84 28.939 -30.284 -26.962
608 HE1 HIS 84 1HE HIS 84 33.171 -30.023 -26.799
609 HE2 HIS 84 2HE HIS 84 31.100 -30.960 -25.713
Start of MODEL 19
1 H1 MET 1 1HT MET 1 12.428 7.942 19.758
2 H2 MET 1 2HT MET 1 11.027 8.591 19.011
3 H3 MET 1 3HT MET 1 12.173 9.636 19.743
4 HA MET 1 HA MET 1 12.161 9.408 17.240
5 HB2 MET 1 2HB MET 1 14.451 9.337 19.160
6 HB3 MET 1 1HB MET 1 14.810 9.251 17.442
7 HG2 MET 1 2HG MET 1 14.866 11.482 17.608
8 HG3 MET 1 1HG MET 1 13.116 11.340 17.455
9 HE1 MET 1 2HE MET 1 11.837 13.276 19.850
10 HE2 MET 1 3HE MET 1 11.532 11.650 20.460
11 HE3 MET 1 1HE MET 1 11.587 11.944 18.722
12 H ALA 2 H ALA 2 11.090 6.979 17.525
13 HA ALA 2 HA ALA 2 12.933 4.830 17.147
14 HB1 ALA 2 1HB ALA 2 10.483 4.798 18.031
15 HB2 ALA 2 2HB ALA 2 11.096 3.441 17.088
16 HB3 ALA 2 3HB ALA 2 10.067 4.652 16.323
17 H VAL 3 H VAL 3 12.347 3.314 15.122
18 HA VAL 3 HA VAL 3 13.141 4.879 12.809
19 HB VAL 3 HB VAL 3 13.402 2.636 11.697
20 HG11 VAL 3 1HG1 VAL 3 14.902 3.334 14.201
21 HG12 VAL 3 2HG1 VAL 3 15.366 3.605 12.522
22 HG13 VAL 3 3HG1 VAL 3 15.369 1.970 13.185
23 HG21 VAL 3 3HG2 VAL 3 13.352 1.262 14.308
24 HG22 VAL 3 1HG2 VAL 3 12.909 0.675 12.704
25 HG23 VAL 3 2HG2 VAL 3 11.779 1.670 13.621
26 H PHE 4 H PHE 4 12.044 4.999 10.864
27 HA PHE 4 HA PHE 4 10.283 5.143 9.449
28 HB2 PHE 4 2HB PHE 4 10.124 2.504 10.630
29 HB3 PHE 4 1HB PHE 4 8.528 3.105 10.210
30 HD1 PHE 4 1HD PHE 4 11.876 3.397 8.578
31 HD2 PHE 4 2HD PHE 4 7.821 2.142 8.253
32 HE1 PHE 4 1HE PHE 4 12.268 2.744 6.237
33 HE2 PHE 4 2HE PHE 4 8.208 1.490 5.913
34 HZ PHE 4 HZ PHE 4 10.432 1.788 4.904
35 H HIS 5 H HIS 5 7.752 5.248 9.419
36 HA HIS 5 HA HIS 5 6.997 7.001 11.619
37 HB2 HIS 5 2HB HIS 5 6.599 7.691 9.259
38 HB3 HIS 5 1HB HIS 5 5.484 6.343 9.079
39 HD1 HIS 5 1HD HIS 5 3.140 6.605 10.059
40 HD2 HIS 5 2HD HIS 5 5.643 9.822 10.855
41 HE1 HIS 5 1HE HIS 5 1.643 8.413 10.963
42 HE2 HIS 5 2HE HIS 5 3.204 10.299 11.561
43 H ASP 6 H ASP 6 5.379 4.345 9.856
44 HA ASP 6 HA ASP 6 4.653 2.979 12.239
45 HB2 ASP 6 2HB ASP 6 2.854 5.047 11.295
46 HB3 ASP 6 1HB ASP 6 2.076 3.473 11.239
47 H GLU 7 H GLU 7 3.280 1.081 11.799
48 HA GLU 7 HA GLU 7 3.659 0.146 9.032
49 HB2 GLU 7 2HB GLU 7 3.259 -1.607 11.452
50 HB3 GLU 7 1HB GLU 7 3.839 -2.077 9.862
51 HG2 GLU 7 2HG GLU 7 5.791 -0.437 10.398
52 HG3 GLU 7 1HG GLU 7 5.273 -0.675 12.066
53 H VAL 8 H VAL 8 1.883 -0.165 7.853
54 HA VAL 8 HA VAL 8 -0.653 -0.733 9.237
55 HB VAL 8 HB VAL 8 -0.426 1.016 6.786
56 HG11 VAL 8 1HG1 VAL 8 -2.796 1.626 7.704
57 HG12 VAL 8 2HG1 VAL 8 -2.673 0.060 8.504
58 HG13 VAL 8 3HG1 VAL 8 -2.565 0.164 6.747
59 HG21 VAL 8 3HG2 VAL 8 -0.938 1.906 9.624
60 HG22 VAL 8 1HG2 VAL 8 -0.804 2.928 8.194
61 HG23 VAL 8 2HG2 VAL 8 0.612 2.065 8.796
62 H GLU 9 H GLU 9 -2.001 -2.201 8.279
63 HA GLU 9 HA GLU 9 -0.860 -4.087 6.498
64 HB2 GLU 9 2HB GLU 9 -3.587 -3.709 7.688
65 HB3 GLU 9 1HB GLU 9 -3.336 -4.912 6.431
66 HG2 GLU 9 2HG GLU 9 -1.756 -6.091 7.775
67 HG3 GLU 9 1HG GLU 9 -1.748 -4.808 8.983
68 H ILE 10 H ILE 10 -1.166 -4.464 4.363
69 HA ILE 10 HA ILE 10 -1.650 -2.353 2.622
70 HB ILE 10 HB ILE 10 -0.399 -4.408 2.037
71 HG12 ILE 10 2HG1 ILE 10 -1.860 -4.671 -0.255
72 HG13 ILE 10 1HG1 ILE 10 -2.450 -3.129 0.353
73 HG21 ILE 10 1HG2 ILE 10 -3.101 -5.692 1.671
74 HG22 ILE 10 2HG2 ILE 10 -2.020 -6.007 3.029
75 HG23 ILE 10 3HG2 ILE 10 -1.522 -6.427 1.390
76 HD11 ILE 10 3HD1 ILE 10 -0.468 -2.083 0.022
77 HD12 ILE 10 1HD1 ILE 10 -0.354 -3.312 -1.236
78 HD13 ILE 10 2HD1 ILE 10 0.479 -3.546 0.300
79 H GLU 11 H GLU 11 -3.904 -4.640 4.028
80 HA GLU 11 HA GLU 11 -6.057 -4.343 2.262
81 HB2 GLU 11 2HB GLU 11 -5.877 -5.006 5.188
82 HB3 GLU 11 1HB GLU 11 -7.438 -4.844 4.396
83 HG2 GLU 11 2HG GLU 11 -7.236 -6.792 3.296
84 HG3 GLU 11 1HG GLU 11 -5.509 -6.578 3.015
85 H ASP 12 H ASP 12 -4.881 -2.277 4.837
86 HA ASP 12 HA ASP 12 -7.194 -0.588 4.927
87 HB2 ASP 12 2HB ASP 12 -5.162 -0.977 6.643
88 HB3 ASP 12 1HB ASP 12 -4.561 0.460 5.820
89 H PHE 13 H PHE 13 -4.243 -0.682 3.064
90 HA PHE 13 HA PHE 13 -4.208 1.983 2.138
91 HB2 PHE 13 2HB PHE 13 -2.990 -0.595 1.252
92 HB3 PHE 13 1HB PHE 13 -2.996 0.747 0.116
93 HD1 PHE 13 1HD PHE 13 -2.253 0.248 3.751
94 HD2 PHE 13 2HD PHE 13 -1.066 1.953 0.036
95 HE1 PHE 13 1HE PHE 13 -0.225 1.150 4.815
96 HE2 PHE 13 2HE PHE 13 0.962 2.857 1.094
97 HZ PHE 13 HZ PHE 13 1.385 2.454 3.485
98 H GLN 14 H GLN 14 -4.415 2.433 -0.327
99 HA GLN 14 HA GLN 14 -7.078 1.501 -1.164
100 HB2 GLN 14 2HB GLN 14 -6.680 3.969 -0.808
101 HB3 GLN 14 1HB GLN 14 -5.570 3.919 -2.170
102 HG2 GLN 14 2HG GLN 14 -7.381 4.522 -3.338
103 HG3 GLN 14 1HG GLN 14 -7.741 2.798 -3.297
104 HE21 GLN 14 1HE2 GLN 14 -9.198 5.610 -3.085
105 HE22 GLN 14 2HE2 GLN 14 -10.427 5.272 -1.918
106 H TYR 15 H TYR 15 -6.890 -0.203 -2.509
107 HA TYR 15 HA TYR 15 -4.648 -0.692 -4.162
108 HB2 TYR 15 2HB TYR 15 -6.123 -2.507 -3.425
109 HB3 TYR 15 1HB TYR 15 -7.452 -1.821 -4.354
110 HD1 TYR 15 1HD TYR 15 -3.937 -3.002 -4.870
111 HD2 TYR 15 2HD TYR 15 -7.878 -2.710 -6.443
112 HE1 TYR 15 1HE TYR 15 -3.247 -4.329 -6.818
113 HE2 TYR 15 2HE TYR 15 -7.201 -4.038 -8.398
114 HH TYR 15 HH TYR 15 -5.400 -5.750 -8.933
115 H ASP 16 H ASP 16 -4.159 -0.044 -6.166
116 HA ASP 16 HA ASP 16 -6.157 1.559 -7.619
117 HB2 ASP 16 2HB ASP 16 -3.827 2.510 -6.727
118 HB3 ASP 16 1HB ASP 16 -3.249 1.813 -8.236
119 H GLU 17 H GLU 17 -7.052 -0.160 -8.762
120 HA GLU 17 HA GLU 17 -5.669 -2.166 -10.126
121 HB2 GLU 17 2HB GLU 17 -7.762 -2.195 -11.624
122 HB3 GLU 17 1HB GLU 17 -7.964 -2.537 -9.912
123 HG2 GLU 17 2HG GLU 17 -8.251 0.290 -10.610
124 HG3 GLU 17 1HG GLU 17 -9.446 -0.768 -11.359
125 H ASP 18 H ASP 18 -6.189 1.167 -10.981
126 HA ASP 18 HA ASP 18 -5.952 1.204 -13.711
127 HB2 ASP 18 2HB ASP 18 -6.052 3.131 -11.849
128 HB3 ASP 18 1HB ASP 18 -4.339 3.226 -12.246
129 H SER 19 H SER 19 -3.235 1.213 -11.383
130 HA SER 19 HA SER 19 -1.574 -0.053 -13.435
131 HB2 SER 19 2HB SER 19 -1.352 2.621 -13.104
132 HB3 SER 19 1HB SER 19 -0.206 2.071 -11.883
133 HG SER 19 HG SER 19 0.717 2.381 -13.997
134 H GLU 20 H GLU 20 -2.829 -0.948 -10.909
135 HA GLU 20 HA GLU 20 -2.360 -2.118 -9.018
136 HB2 GLU 20 2HB GLU 20 0.101 -2.731 -10.656
137 HB3 GLU 20 1HB GLU 20 -0.345 -3.592 -9.189
138 HG2 GLU 20 2HG GLU 20 -2.030 -4.724 -10.195
139 HG3 GLU 20 1HG GLU 20 -2.398 -3.409 -11.311
140 H THR 21 H THR 21 -2.160 0.069 -7.975
141 HA THR 21 HA THR 21 0.422 0.223 -6.595
142 HB THR 21 HB THR 21 -1.016 2.704 -7.554
143 HG1 THR 21 1HG THR 21 1.091 1.252 -8.761
144 HG21 THR 21 3HG2 THR 21 0.479 3.041 -5.652
145 HG22 THR 21 1HG2 THR 21 1.077 3.834 -7.109
146 HG23 THR 21 2HG2 THR 21 1.801 2.319 -6.570
147 H TYR 22 H TYR 22 0.309 1.193 -4.487
148 HA TYR 22 HA TYR 22 -2.428 1.369 -3.408
149 HB2 TYR 22 2HB TYR 22 -0.001 0.305 -1.948
150 HB3 TYR 22 1HB TYR 22 -1.650 0.370 -1.333
151 HD1 TYR 22 1HD TYR 22 0.349 -1.095 -4.125
152 HD2 TYR 22 2HD TYR 22 -3.019 -1.498 -1.554
153 HE1 TYR 22 1HE TYR 22 -0.070 -3.335 -5.035
154 HE2 TYR 22 2HE TYR 22 -3.445 -3.743 -2.458
155 HH TYR 22 HH TYR 22 -1.315 -5.525 -4.044
156 H PHE 23 H PHE 23 -2.893 3.045 -2.034
157 HA PHE 23 HA PHE 23 -0.694 4.901 -1.400
158 HB2 PHE 23 2HB PHE 23 -3.475 5.710 -2.282
159 HB3 PHE 23 1HB PHE 23 -2.145 6.796 -1.893
160 HD1 PHE 23 1HD PHE 23 -3.020 4.008 -4.209
161 HD2 PHE 23 2HD PHE 23 -0.806 7.591 -3.597
162 HE1 PHE 23 1HE PHE 23 -2.302 3.962 -6.560
163 HE2 PHE 23 2HE PHE 23 -0.084 7.551 -5.948
164 HZ PHE 23 HZ PHE 23 -0.832 5.735 -7.434
165 H TYR 24 H TYR 24 -0.952 6.188 0.484
166 HA TYR 24 HA TYR 24 -3.077 5.305 2.322
167 HB2 TYR 24 2HB TYR 24 -0.700 4.332 2.721
168 HB3 TYR 24 1HB TYR 24 -0.315 5.944 3.320
169 HD1 TYR 24 1HD TYR 24 -2.670 3.105 3.806
170 HD2 TYR 24 2HD TYR 24 -0.834 6.536 5.525
171 HE1 TYR 24 1HE TYR 24 -3.614 2.506 5.994
172 HE2 TYR 24 2HE TYR 24 -1.771 5.944 7.720
173 HH TYR 24 HH TYR 24 -4.054 4.389 8.390
174 HA PRO 25 HA PRO 25 -3.800 9.662 2.768
175 HB2 PRO 25 2HB PRO 25 -5.226 9.606 5.089
176 HB3 PRO 25 1HB PRO 25 -5.900 9.152 3.520
177 HG2 PRO 25 2HG PRO 25 -4.847 7.402 5.709
178 HG3 PRO 25 1HG PRO 25 -6.298 7.196 4.711
179 HD2 PRO 25 2HD PRO 25 -4.014 5.842 4.229
180 HD3 PRO 25 1HD PRO 25 -5.105 6.353 2.924
181 H CYS 26 H CYS 26 -2.362 11.127 3.421
182 HA CYS 26 HA CYS 26 -0.840 10.639 5.879
183 HB2 CYS 26 2HB CYS 26 -0.054 11.464 3.335
184 HB3 CYS 26 1HB CYS 26 0.017 12.932 4.309
185 HA PRO 27 HA PRO 27 -2.997 13.846 8.028
186 HB2 PRO 27 2HB PRO 27 -1.115 14.543 9.856
187 HB3 PRO 27 1HB PRO 27 -2.038 13.039 9.950
188 HG2 PRO 27 2HG PRO 27 0.737 13.499 8.926
189 HG3 PRO 27 1HG PRO 27 0.124 12.185 9.947
190 HD2 PRO 27 2HD PRO 27 0.533 11.897 7.285
191 HD3 PRO 27 1HD PRO 27 -0.747 11.029 8.157
192 H CYS 28 H CYS 28 -0.029 14.455 6.350
193 HA CYS 28 HA CYS 28 0.072 17.269 6.894
194 HB2 CYS 28 2HB CYS 28 1.827 17.324 5.172
195 HB3 CYS 28 1HB CYS 28 2.110 16.035 6.337
196 H GLY 29 H GLY 29 -1.147 15.246 4.248
197 HA2 GLY 29 2HA GLY 29 -3.264 16.717 3.452
198 HA3 GLY 29 1HA GLY 29 -1.928 17.542 2.664
199 H ASP 30 H ASP 30 -0.320 15.675 1.726
200 HA ASP 30 HA ASP 30 -1.838 14.496 -0.407
201 HB2 ASP 30 2HB ASP 30 0.676 15.466 -0.249
202 HB3 ASP 30 1HB ASP 30 1.012 13.749 -0.044
203 H ASN 31 H ASN 31 -0.770 12.109 -1.006
204 HA ASN 31 HA ASN 31 -1.143 10.434 1.382
205 HB2 ASN 31 2HB ASN 31 -2.324 9.834 -1.340
206 HB3 ASN 31 1HB ASN 31 -2.515 8.875 0.124
207 HD21 ASN 31 1HD2 ASN 31 -4.337 10.494 -1.754
208 HD22 ASN 31 2HD2 ASN 31 -5.335 11.381 -0.658
209 H PHE 32 H PHE 32 0.087 8.611 1.513
210 HA PHE 32 HA PHE 32 2.534 8.512 0.130
211 HB2 PHE 32 2HB PHE 32 1.078 6.612 1.943
212 HB3 PHE 32 1HB PHE 32 2.551 6.096 1.134
213 HD1 PHE 32 1HD PHE 32 4.623 7.614 1.444
214 HD2 PHE 32 2HD PHE 32 1.202 7.719 3.975
215 HE1 PHE 32 1HE PHE 32 5.974 8.645 3.223
216 HE2 PHE 32 2HE PHE 32 2.549 8.754 5.757
217 HZ PHE 32 HZ PHE 32 4.938 9.217 5.381
218 H SER 33 H SER 33 3.326 6.577 -1.131
219 HA SER 33 HA SER 33 1.273 5.214 -2.691
220 HB2 SER 33 2HB SER 33 2.780 5.896 -4.780
221 HB3 SER 33 1HB SER 33 1.449 6.912 -4.229
222 HG SER 33 HG SER 33 4.195 7.224 -3.572
223 H ILE 34 H ILE 34 1.872 3.239 -3.423
224 HA ILE 34 HA ILE 34 4.662 2.459 -3.547
225 HB ILE 34 HB ILE 34 4.161 2.066 -1.188
226 HG12 ILE 34 2HG1 ILE 34 4.136 -0.692 -2.322
227 HG13 ILE 34 1HG1 ILE 34 5.445 0.381 -2.803
228 HG21 ILE 34 1HG2 ILE 34 2.230 -0.098 -1.717
229 HG22 ILE 34 2HG2 ILE 34 1.631 1.546 -1.931
230 HG23 ILE 34 3HG2 ILE 34 2.315 1.051 -0.383
231 HD11 ILE 34 3HD1 ILE 34 6.452 0.230 -0.818
232 HD12 ILE 34 1HD1 ILE 34 5.458 -1.212 -0.612
233 HD13 ILE 34 2HD1 ILE 34 4.934 0.326 0.073
234 H THR 35 H THR 35 4.916 1.194 -5.288
235 HA THR 35 HA THR 35 2.663 0.269 -6.778
236 HB THR 35 HB THR 35 4.304 -0.661 -8.335
237 HG1 THR 35 1HG THR 35 6.329 0.162 -6.539
238 HG21 THR 35 3HG2 THR 35 5.556 1.911 -7.503
239 HG22 THR 35 1HG2 THR 35 3.905 1.894 -8.119
240 HG23 THR 35 2HG2 THR 35 5.224 1.286 -9.119
241 H LYS 36 H LYS 36 2.059 -1.860 -7.283
242 HA LYS 36 HA LYS 36 2.004 -3.665 -5.140
243 HB2 LYS 36 2HB LYS 36 0.462 -3.490 -7.221
244 HB3 LYS 36 1HB LYS 36 1.638 -4.544 -7.991
245 HG2 LYS 36 2HG LYS 36 0.536 -5.345 -5.349
246 HG3 LYS 36 1HG LYS 36 -0.483 -5.507 -6.780
247 HD2 LYS 36 2HD LYS 36 1.860 -6.579 -7.661
248 HD3 LYS 36 1HD LYS 36 1.884 -7.041 -5.958
249 HE2 LYS 36 2HE LYS 36 0.722 -8.810 -6.803
250 HE3 LYS 36 1HE LYS 36 -0.620 -7.715 -6.479
251 HZ1 LYS 36 3HZ LYS 36 0.607 -8.422 -9.062
252 HZ2 LYS 36 1HZ LYS 36 -0.213 -6.952 -8.893
253 HZ3 LYS 36 2HZ LYS 36 -1.027 -8.410 -8.625
254 H GLU 37 H GLU 37 4.093 -3.499 -7.984
255 HA GLU 37 HA GLU 37 5.376 -5.976 -7.683
256 HB2 GLU 37 2HB GLU 37 5.471 -4.219 -9.620
257 HB3 GLU 37 1HB GLU 37 6.837 -3.571 -8.721
258 HG2 GLU 37 2HG GLU 37 8.135 -5.441 -9.075
259 HG3 GLU 37 1HG GLU 37 6.744 -6.482 -9.371
260 H ASP 38 H ASP 38 6.085 -2.795 -6.286
261 HA ASP 38 HA ASP 38 8.567 -3.343 -5.142
262 HB2 ASP 38 2HB ASP 38 6.380 -1.404 -4.617
263 HB3 ASP 38 1HB ASP 38 7.509 -1.674 -3.291
264 H LEU 39 H LEU 39 5.314 -3.781 -3.775
265 HA LEU 39 HA LEU 39 6.148 -4.808 -1.287
266 HB2 LEU 39 2HB LEU 39 3.575 -5.439 -2.725
267 HB3 LEU 39 1HB LEU 39 3.869 -5.536 -0.999
268 HG LEU 39 HG LEU 39 4.194 -2.900 -2.362
269 HD11 LEU 39 1HD1 LEU 39 1.700 -2.589 -1.682
270 HD12 LEU 39 2HD1 LEU 39 1.627 -4.339 -1.890
271 HD13 LEU 39 3HD1 LEU 39 2.110 -3.310 -3.238
272 HD21 LEU 39 3HD2 LEU 39 3.563 -2.036 -0.224
273 HD22 LEU 39 1HD2 LEU 39 4.793 -3.274 0.027
274 HD23 LEU 39 2HD2 LEU 39 3.098 -3.638 0.344
275 H GLU 40 H GLU 40 5.361 -6.383 -4.365
276 HA GLU 40 HA GLU 40 5.500 -9.046 -3.442
277 HB2 GLU 40 2HB GLU 40 6.057 -7.970 -6.209
278 HB3 GLU 40 1HB GLU 40 5.775 -9.658 -5.810
279 HG2 GLU 40 2HG GLU 40 3.560 -8.483 -4.763
280 HG3 GLU 40 1HG GLU 40 3.880 -7.459 -6.161
281 H ASN 41 H ASN 41 7.983 -6.757 -4.321
282 HA ASN 41 HA ASN 41 10.034 -8.820 -4.451
283 HB2 ASN 41 2HB ASN 41 9.876 -5.931 -5.123
284 HB3 ASN 41 1HB ASN 41 11.447 -6.536 -4.606
285 HD21 ASN 41 1HD2 ASN 41 12.179 -6.035 -6.739
286 HD22 ASN 41 2HD2 ASN 41 11.867 -7.126 -8.041
287 H GLY 42 H GLY 42 9.017 -6.192 -2.319
288 HA2 GLY 42 2HA GLY 42 9.576 -7.042 0.100
289 HA3 GLY 42 1HA GLY 42 11.217 -6.778 -0.477
290 H GLU 43 H GLU 43 9.993 -4.453 -2.139
291 HA GLU 43 HA GLU 43 10.686 -2.387 -0.344
292 HB2 GLU 43 2HB GLU 43 9.401 -2.406 -3.068
293 HB3 GLU 43 1HB GLU 43 9.649 -0.908 -2.182
294 HG2 GLU 43 2HG GLU 43 11.773 -2.844 -3.074
295 HG3 GLU 43 1HG GLU 43 11.439 -1.250 -3.751
296 H ASP 44 H ASP 44 9.295 -2.861 1.446
297 HA ASP 44 HA ASP 44 6.458 -2.238 1.107
298 HB2 ASP 44 2HB ASP 44 6.342 -2.945 3.557
299 HB3 ASP 44 1HB ASP 44 6.733 -4.197 2.389
300 H VAL 45 H VAL 45 8.235 -0.107 0.742
301 HA VAL 45 HA VAL 45 7.604 1.548 3.092
302 HB VAL 45 HB VAL 45 10.016 1.165 3.024
303 HG11 VAL 45 1HG1 VAL 45 11.405 1.681 1.215
304 HG12 VAL 45 2HG1 VAL 45 10.155 2.623 0.406
305 HG13 VAL 45 3HG1 VAL 45 10.027 0.866 0.477
306 HG21 VAL 45 3HG2 VAL 45 9.212 3.293 3.867
307 HG22 VAL 45 1HG2 VAL 45 9.229 3.969 2.238
308 HG23 VAL 45 2HG2 VAL 45 10.743 3.516 3.019
309 H ALA 46 H ALA 46 6.474 3.334 2.710
310 HA ALA 46 HA ALA 46 6.151 4.190 -0.089
311 HB1 ALA 46 1HB ALA 46 4.174 3.332 1.559
312 HB2 ALA 46 2HB ALA 46 3.935 4.442 0.209
313 HB3 ALA 46 3HB ALA 46 4.120 5.072 1.846
314 H THR 47 H THR 47 6.665 6.232 -0.618
315 HA THR 47 HA THR 47 7.425 8.044 1.574
316 HB THR 47 HB THR 47 8.460 8.090 -1.269
317 HG1 THR 47 1HG THR 47 10.117 6.897 -0.606
318 HG21 THR 47 3HG2 THR 47 9.457 9.993 -0.755
319 HG22 THR 47 1HG2 THR 47 10.263 9.212 0.606
320 HG23 THR 47 2HG2 THR 47 8.689 9.974 0.833
321 H CYS 48 H CYS 48 6.447 9.959 1.745
322 HA CYS 48 HA CYS 48 4.339 10.607 -0.162
323 HB2 CYS 48 2HB CYS 48 3.888 10.589 2.297
324 HB3 CYS 48 1HB CYS 48 4.997 11.945 2.471
325 HA PRO 49 HA PRO 49 7.161 13.426 -2.255
326 HB2 PRO 49 2HB PRO 49 4.568 14.390 -3.353
327 HB3 PRO 49 1HB PRO 49 6.048 13.927 -4.201
328 HG2 PRO 49 2HG PRO 49 3.936 12.314 -4.193
329 HG3 PRO 49 1HG PRO 49 5.579 11.656 -4.048
330 HD2 PRO 49 2HD PRO 49 3.496 12.043 -1.939
331 HD3 PRO 49 1HD PRO 49 4.661 10.719 -2.146
332 H SER 50 H SER 50 4.438 14.277 -0.250
333 HA SER 50 HA SER 50 4.972 17.114 -0.337
334 HB2 SER 50 2HB SER 50 2.973 15.361 1.029
335 HB3 SER 50 1HB SER 50 3.256 16.979 1.670
336 HG SER 50 HG SER 50 2.266 17.804 0.005
337 H CYS 51 H CYS 51 4.667 15.026 2.550
338 HA CYS 51 HA CYS 51 6.502 16.682 4.007
339 HB2 CYS 51 2HB CYS 51 6.140 15.109 5.860
340 HB3 CYS 51 1HB CYS 51 4.616 15.634 5.149
341 H SER 52 H SER 52 6.770 13.719 2.198
342 HA SER 52 HA SER 52 8.575 12.501 1.548
343 HB2 SER 52 2HB SER 52 9.629 14.996 1.834
344 HB3 SER 52 1HB SER 52 10.615 14.084 2.976
345 HG SER 52 HG SER 52 10.393 13.819 0.198
346 H LEU 53 H LEU 53 7.158 11.772 3.814
347 HA LEU 53 HA LEU 53 9.135 10.918 5.789
348 HB2 LEU 53 2HB LEU 53 6.172 11.155 5.718
349 HB3 LEU 53 1HB LEU 53 6.850 9.909 6.747
350 HG LEU 53 HG LEU 53 7.812 12.742 6.959
351 HD11 LEU 53 1HD1 LEU 53 6.034 13.456 8.140
352 HD12 LEU 53 2HD1 LEU 53 5.723 11.867 8.840
353 HD13 LEU 53 3HD1 LEU 53 5.181 12.231 7.202
354 HD21 LEU 53 3HD2 LEU 53 7.575 10.568 9.032
355 HD22 LEU 53 1HD2 LEU 53 8.434 12.102 9.172
356 HD23 LEU 53 2HD2 LEU 53 9.025 10.857 8.071
357 H ILE 54 H ILE 54 8.459 8.576 6.687
358 HA ILE 54 HA ILE 54 8.274 6.767 4.363
359 HB ILE 54 HB ILE 54 9.815 5.228 5.662
360 HG12 ILE 54 2HG1 ILE 54 10.359 7.784 7.198
361 HG13 ILE 54 1HG1 ILE 54 9.635 6.317 7.852
362 HG21 ILE 54 1HG2 ILE 54 11.604 5.992 4.495
363 HG22 ILE 54 2HG2 ILE 54 11.386 7.659 5.030
364 HG23 ILE 54 3HG2 ILE 54 10.364 7.001 3.752
365 HD11 ILE 54 3HD1 ILE 54 11.806 6.130 8.560
366 HD12 ILE 54 1HD1 ILE 54 12.462 6.865 7.099
367 HD13 ILE 54 2HD1 ILE 54 11.855 5.210 7.057
368 H ILE 55 H ILE 55 7.116 4.866 4.648
369 HA ILE 55 HA ILE 55 6.023 4.270 7.292
370 HB ILE 55 HB ILE 55 3.733 3.957 6.346
371 HG12 ILE 55 2HG1 ILE 55 4.338 5.840 4.131
372 HG13 ILE 55 1HG1 ILE 55 4.849 4.170 3.905
373 HG21 ILE 55 1HG2 ILE 55 3.163 6.380 6.348
374 HG22 ILE 55 2HG2 ILE 55 4.891 6.737 6.354
375 HG23 ILE 55 3HG2 ILE 55 4.164 5.871 7.708
376 HD11 ILE 55 3HD1 ILE 55 2.251 3.970 4.850
377 HD12 ILE 55 1HD1 ILE 55 2.798 3.757 3.186
378 HD13 ILE 55 2HD1 ILE 55 2.219 5.332 3.730
379 H LYS 56 H LYS 56 5.524 2.119 7.627
380 HA LYS 56 HA LYS 56 6.558 0.283 5.610
381 HB2 LYS 56 2HB LYS 56 7.293 0.130 8.002
382 HB3 LYS 56 1HB LYS 56 5.652 -0.331 8.428
383 HG2 LYS 56 2HG LYS 56 6.607 -2.390 8.268
384 HG3 LYS 56 1HG LYS 56 6.060 -2.188 6.603
385 HD2 LYS 56 2HD LYS 56 8.182 -1.880 5.797
386 HD3 LYS 56 1HD LYS 56 8.777 -1.205 7.317
387 HE2 LYS 56 2HE LYS 56 9.640 -3.504 6.674
388 HE3 LYS 56 1HE LYS 56 8.984 -3.333 8.302
389 HZ1 LYS 56 3HZ LYS 56 8.296 -5.351 6.899
390 HZ2 LYS 56 1HZ LYS 56 7.271 -4.273 6.090
391 HZ3 LYS 56 2HZ LYS 56 7.094 -4.523 7.754
392 H VAL 57 H VAL 57 5.440 -1.104 4.482
393 HA VAL 57 HA VAL 57 2.529 -1.137 4.859
394 HB VAL 57 HB VAL 57 3.667 -2.181 2.326
395 HG11 VAL 57 1HG1 VAL 57 1.363 -0.415 3.113
396 HG12 VAL 57 2HG1 VAL 57 1.298 -2.107 2.616
397 HG13 VAL 57 3HG1 VAL 57 1.734 -0.859 1.447
398 HG21 VAL 57 3HG2 VAL 57 5.041 -0.388 2.102
399 HG22 VAL 57 1HG2 VAL 57 4.145 0.587 3.265
400 HG23 VAL 57 2HG2 VAL 57 3.543 0.406 1.619
401 H ILE 58 H ILE 58 1.807 -2.901 5.856
402 HA ILE 58 HA ILE 58 3.329 -5.386 5.720
403 HB ILE 58 HB ILE 58 0.803 -4.882 7.293
404 HG12 ILE 58 2HG1 ILE 58 2.462 -3.230 7.968
405 HG13 ILE 58 1HG1 ILE 58 2.292 -4.448 9.227
406 HG21 ILE 58 1HG2 ILE 58 1.130 -6.887 8.290
407 HG22 ILE 58 2HG2 ILE 58 2.887 -6.773 8.195
408 HG23 ILE 58 3HG2 ILE 58 1.956 -7.241 6.773
409 HD11 ILE 58 3HD1 ILE 58 4.353 -5.321 7.517
410 HD12 ILE 58 1HD1 ILE 58 4.480 -4.748 9.179
411 HD13 ILE 58 2HD1 ILE 58 4.632 -3.610 7.840
412 H TYR 59 H TYR 59 2.703 -7.186 4.657
413 HA TYR 59 HA TYR 59 -0.009 -7.518 3.690
414 HB2 TYR 59 2HB TYR 59 0.874 -7.859 1.304
415 HB3 TYR 59 1HB TYR 59 0.747 -6.198 1.874
416 HD1 TYR 59 2HD TYR 59 3.079 -8.918 1.042
417 HD2 TYR 59 1HD TYR 59 2.702 -4.860 2.256
418 HE1 TYR 59 2HE TYR 59 5.460 -8.557 0.552
419 HE2 TYR 59 1HE TYR 59 5.076 -4.486 1.772
420 HH TYR 59 HH TYR 59 6.952 -6.572 -0.025
421 H ASP 60 H ASP 60 0.049 -9.589 2.120
422 HA ASP 60 HA ASP 60 1.256 -11.682 3.719
423 HB2 ASP 60 2HB ASP 60 -1.126 -11.687 2.674
424 HB3 ASP 60 1HB ASP 60 -0.302 -12.157 1.189
425 H LYS 61 H LYS 61 3.413 -11.818 3.352
426 HA LYS 61 HA LYS 61 4.695 -11.405 0.889
427 HB2 LYS 61 2HB LYS 61 5.521 -12.863 3.388
428 HB3 LYS 61 1HB LYS 61 6.572 -12.780 1.980
429 HG2 LYS 61 2HG LYS 61 5.972 -10.175 2.257
430 HG3 LYS 61 1HG LYS 61 5.852 -10.700 3.937
431 HD2 LYS 61 2HD LYS 61 8.121 -11.766 3.643
432 HD3 LYS 61 1HD LYS 61 8.225 -10.923 2.095
433 HE2 LYS 61 2HE LYS 61 8.556 -8.908 3.062
434 HE3 LYS 61 1HE LYS 61 7.473 -9.259 4.407
435 HZ1 LYS 61 3HZ LYS 61 9.139 -10.125 5.644
436 HZ2 LYS 61 1HZ LYS 61 10.082 -9.085 4.700
437 HZ3 LYS 61 2HZ LYS 61 9.993 -10.729 4.315
438 H ASP 62 H ASP 62 3.131 -14.237 2.228
439 HA ASP 62 HA ASP 62 4.292 -16.169 0.516
440 HB2 ASP 62 2HB ASP 62 1.859 -16.053 2.243
441 HB3 ASP 62 1HB ASP 62 1.959 -17.331 1.036
442 H GLN 63 H GLN 63 1.594 -13.945 0.137
443 HA GLN 63 HA GLN 63 0.864 -15.140 -2.426
444 HB2 GLN 63 2HB GLN 63 -0.371 -13.022 -0.688
445 HB3 GLN 63 1HB GLN 63 -0.882 -13.238 -2.355
446 HG2 GLN 63 2HG GLN 63 -0.828 -15.579 -0.507
447 HG3 GLN 63 1HG GLN 63 -2.157 -14.423 -0.428
448 HE21 GLN 63 1HE2 GLN 63 -0.617 -16.904 -2.292
449 HE22 GLN 63 2HE2 GLN 63 -1.863 -17.078 -3.477
450 H PHE 64 H PHE 64 2.175 -12.117 -1.116
451 HA PHE 64 HA PHE 64 2.326 -10.808 -3.657
452 HB2 PHE 64 2HB PHE 64 3.239 -10.209 -0.881
453 HB3 PHE 64 1HB PHE 64 4.031 -9.356 -2.201
454 HD1 PHE 64 1HD PHE 64 0.680 -10.091 -0.765
455 HD2 PHE 64 2HD PHE 64 3.050 -7.473 -3.143
456 HE1 PHE 64 1HE PHE 64 -1.179 -8.479 -0.840
457 HE2 PHE 64 2HE PHE 64 1.197 -5.859 -3.221
458 HZ PHE 64 HZ PHE 64 -0.921 -6.360 -2.068
459 H VAL 65 H VAL 65 4.872 -12.038 -1.468
460 HA VAL 65 HA VAL 65 6.863 -11.871 -3.539
461 HB VAL 65 HB VAL 65 7.138 -13.269 -0.877
462 HG11 VAL 65 1HG1 VAL 65 8.843 -13.389 -2.919
463 HG12 VAL 65 2HG1 VAL 65 9.378 -13.342 -1.241
464 HG13 VAL 65 3HG1 VAL 65 9.385 -11.867 -2.209
465 HG21 VAL 65 3HG2 VAL 65 8.173 -11.093 -0.132
466 HG22 VAL 65 1HG2 VAL 65 6.422 -11.073 -0.337
467 HG23 VAL 65 2HG2 VAL 65 7.462 -10.355 -1.566
468 H SER 66 H SER 66 5.913 -13.239 -5.138
469 HA SER 66 HA SER 66 5.749 -16.087 -4.518
470 HB2 SER 66 2HB SER 66 4.734 -16.322 -6.728
471 HB3 SER 66 1HB SER 66 3.930 -15.041 -5.828
472 HG SER 66 HG SER 66 4.973 -13.526 -7.060
473 H GLY 67 H GLY 67 7.900 -16.711 -4.288
474 HA2 GLY 67 2HA GLY 67 9.907 -16.034 -6.227
475 HA3 GLY 67 1HA GLY 67 10.070 -17.195 -4.917
476 H GLU 68 H GLU 68 9.698 -19.356 -5.293
477 HA GLU 68 HA GLU 68 9.499 -20.098 -8.122
478 HB2 GLU 68 2HB GLU 68 10.718 -21.368 -5.709
479 HB3 GLU 68 1HB GLU 68 10.193 -22.406 -7.028
480 HG2 GLU 68 2HG GLU 68 12.271 -22.051 -7.785
481 HG3 GLU 68 1HG GLU 68 11.571 -20.559 -8.411
482 H THR 69 H THR 69 7.132 -19.333 -6.631
483 HA THR 69 HA THR 69 5.585 -21.797 -6.975
484 HB THR 69 HB THR 69 4.918 -19.973 -4.687
485 HG1 THR 69 1HG THR 69 6.835 -22.061 -4.643
486 HG21 THR 69 3HG2 THR 69 3.409 -21.860 -5.464
487 HG22 THR 69 1HG2 THR 69 3.825 -21.807 -3.751
488 HG23 THR 69 2HG2 THR 69 4.637 -22.950 -4.820
489 H VAL 70 H VAL 70 3.826 -21.482 -8.181
490 HA VAL 70 HA VAL 70 3.049 -18.730 -8.830
491 HB VAL 70 HB VAL 70 2.162 -21.263 -10.219
492 HG11 VAL 70 1HG1 VAL 70 2.158 -18.382 -11.113
493 HG12 VAL 70 2HG1 VAL 70 0.746 -19.316 -10.618
494 HG13 VAL 70 3HG1 VAL 70 1.635 -19.764 -12.074
495 HG21 VAL 70 3HG2 VAL 70 3.889 -20.374 -11.968
496 HG22 VAL 70 1HG2 VAL 70 4.428 -21.368 -10.614
497 HG23 VAL 70 2HG2 VAL 70 4.630 -19.616 -10.558
498 HA PRO 71 HA PRO 71 -0.652 -18.883 -6.380
499 HB2 PRO 71 2HB PRO 71 -1.890 -17.317 -8.581
500 HB3 PRO 71 1HB PRO 71 -1.758 -16.932 -6.863
501 HG2 PRO 71 2HG PRO 71 -0.239 -15.688 -8.665
502 HG3 PRO 71 1HG PRO 71 0.407 -16.132 -7.074
503 HD2 PRO 71 2HD PRO 71 0.826 -17.444 -9.727
504 HD3 PRO 71 1HD PRO 71 1.982 -17.182 -8.406
505 H ALA 72 H ALA 72 -3.092 -19.288 -6.696
506 HA ALA 72 HA ALA 72 -3.672 -21.042 -8.962
507 HB1 ALA 72 1HB ALA 72 -4.220 -22.920 -7.705
508 HB2 ALA 72 2HB ALA 72 -4.304 -22.010 -6.197
509 HB3 ALA 72 3HB ALA 72 -2.740 -22.339 -6.944
510 HA PRO 73 HA PRO 73 -7.677 -19.176 -8.772
511 HB2 PRO 73 2HB PRO 73 -9.203 -21.124 -9.886
512 HB3 PRO 73 1HB PRO 73 -8.080 -20.134 -10.826
513 HG2 PRO 73 2HG PRO 73 -7.715 -22.902 -9.742
514 HG3 PRO 73 1HG PRO 73 -7.283 -22.260 -11.339
515 HD2 PRO 73 2HD PRO 73 -5.466 -22.582 -9.360
516 HD3 PRO 73 1HD PRO 73 -5.349 -21.279 -10.561
517 H SER 74 H SER 74 -9.593 -19.148 -7.588
518 HA SER 74 HA SER 74 -10.320 -21.438 -5.960
519 HB2 SER 74 2HB SER 74 -9.350 -18.839 -4.761
520 HB3 SER 74 1HB SER 74 -10.323 -20.004 -3.864
521 HG SER 74 HG SER 74 -8.595 -21.556 -4.545
522 H ALA 75 H ALA 75 -12.380 -21.174 -4.866
523 HA ALA 75 HA ALA 75 -14.111 -19.251 -6.271
524 HB1 ALA 75 1HB ALA 75 -15.952 -20.835 -5.469
525 HB2 ALA 75 2HB ALA 75 -14.647 -21.958 -5.086
526 HB3 ALA 75 3HB ALA 75 -14.882 -21.410 -6.747
527 H ASN 76 H ASN 76 -15.591 -17.993 -5.148
528 HA ASN 76 HA ASN 76 -15.352 -18.003 -2.213
529 HB2 ASN 76 2HB ASN 76 -15.095 -15.720 -4.136
530 HB3 ASN 76 1HB ASN 76 -15.764 -15.420 -2.534
531 HD21 ASN 76 1HD2 ASN 76 -14.370 -14.965 -0.981
532 HD22 ASN 76 2HD2 ASN 76 -12.679 -15.318 -1.003
533 H LYS 77 H LYS 77 -17.370 -19.310 -3.746
534 HA LYS 77 HA LYS 77 -19.719 -17.707 -2.980
535 HB2 LYS 77 2HB LYS 77 -20.971 -18.764 -4.824
536 HB3 LYS 77 1HB LYS 77 -19.610 -17.819 -5.406
537 HG2 LYS 77 2HG LYS 77 -19.235 -19.626 -6.678
538 HG3 LYS 77 1HG LYS 77 -18.455 -20.247 -5.224
539 HD2 LYS 77 2HD LYS 77 -20.138 -21.714 -4.781
540 HD3 LYS 77 1HD LYS 77 -21.378 -20.667 -5.470
541 HE2 LYS 77 2HE LYS 77 -21.126 -21.515 -7.556
542 HE3 LYS 77 1HE LYS 77 -19.391 -21.761 -7.361
543 HZ1 LYS 77 3HZ LYS 77 -20.913 -23.802 -7.510
544 HZ2 LYS 77 1HZ LYS 77 -21.319 -23.454 -5.904
545 HZ3 LYS 77 2HZ LYS 77 -19.713 -23.788 -6.319
546 H GLU 78 H GLU 78 -18.364 -19.512 -1.262
547 HA GLU 78 HA GLU 78 -19.937 -21.953 -1.233
548 HB2 GLU 78 2HB GLU 78 -17.392 -21.550 -0.543
549 HB3 GLU 78 1HB GLU 78 -18.130 -21.255 1.025
550 HG2 GLU 78 2HG GLU 78 -18.676 -23.413 1.329
551 HG3 GLU 78 1HG GLU 78 -19.050 -23.673 -0.374
552 H LEU 79 H LEU 79 -22.019 -21.410 -0.723
553 HA LEU 79 HA LEU 79 -22.426 -20.343 1.989
554 HB2 LEU 79 2HB LEU 79 -24.581 -19.333 1.060
555 HB3 LEU 79 1HB LEU 79 -23.073 -18.521 0.685
556 HG LEU 79 HG LEU 79 -24.048 -20.496 -1.304
557 HD11 LEU 79 1HD1 LEU 79 -26.128 -19.583 -1.181
558 HD12 LEU 79 2HD1 LEU 79 -25.369 -18.390 -2.235
559 HD13 LEU 79 3HD1 LEU 79 -25.542 -18.060 -0.511
560 HD21 LEU 79 3HD2 LEU 79 -21.961 -18.912 -1.332
561 HD22 LEU 79 1HD2 LEU 79 -23.138 -17.713 -1.869
562 HD23 LEU 79 2HD2 LEU 79 -22.895 -19.190 -2.801
563 H VAL 80 H VAL 80 -22.282 -23.084 1.220
564 HA VAL 80 HA VAL 80 -25.037 -24.037 1.179
565 HB VAL 80 HB VAL 80 -22.508 -25.689 1.262
566 HG11 VAL 80 1HG1 VAL 80 -24.138 -27.201 1.757
567 HG12 VAL 80 2HG1 VAL 80 -24.246 -27.239 -0.002
568 HG13 VAL 80 3HG1 VAL 80 -25.399 -26.284 0.932
569 HG21 VAL 80 3HG2 VAL 80 -23.834 -24.273 -0.973
570 HG22 VAL 80 1HG2 VAL 80 -23.302 -25.926 -1.282
571 HG23 VAL 80 2HG2 VAL 80 -22.140 -24.711 -0.749
572 H LYS 81 H LYS 81 -26.043 -23.989 3.095
573 HA LYS 81 HA LYS 81 -26.568 -24.388 5.268
574 HB2 LYS 81 2HB LYS 81 -25.734 -26.698 4.570
575 HB3 LYS 81 1HB LYS 81 -24.226 -26.285 5.372
576 HG2 LYS 81 2HG LYS 81 -25.283 -26.144 7.488
577 HG3 LYS 81 1HG LYS 81 -26.890 -26.207 6.763
578 HD2 LYS 81 2HD LYS 81 -26.699 -28.479 6.250
579 HD3 LYS 81 1HD LYS 81 -24.941 -28.461 6.408
580 HE2 LYS 81 2HE LYS 81 -25.595 -29.521 8.357
581 HE3 LYS 81 1HE LYS 81 -25.423 -27.847 8.883
582 HZ1 LYS 81 3HZ LYS 81 -27.638 -27.619 9.188
583 HZ2 LYS 81 1HZ LYS 81 -27.561 -29.293 9.414
584 HZ3 LYS 81 2HZ LYS 81 -28.056 -28.663 7.924
585 H LEU 82 H LEU 82 -26.030 -22.296 5.964
586 HA LEU 82 HA LEU 82 -23.345 -21.725 6.876
587 HB2 LEU 82 2HB LEU 82 -24.198 -19.531 7.470
588 HB3 LEU 82 1HB LEU 82 -24.676 -19.957 5.839
589 HG LEU 82 HG LEU 82 -26.883 -20.761 7.111
590 HD11 LEU 82 1HD1 LEU 82 -26.609 -20.261 9.307
591 HD12 LEU 82 2HD1 LEU 82 -27.232 -18.704 8.762
592 HD13 LEU 82 3HD1 LEU 82 -25.497 -18.932 8.984
593 HD21 LEU 82 3HD2 LEU 82 -27.678 -18.305 6.752
594 HD22 LEU 82 1HD2 LEU 82 -27.175 -19.279 5.369
595 HD23 LEU 82 2HD2 LEU 82 -26.072 -18.087 6.056
596 H GLU 83 H GLU 83 -22.670 -21.430 8.983
597 HA GLU 83 HA GLU 83 -24.526 -21.976 11.163
598 HB2 GLU 83 2HB GLU 83 -22.299 -23.771 10.323
599 HB3 GLU 83 1HB GLU 83 -22.584 -23.564 12.045
600 HG2 GLU 83 2HG GLU 83 -25.103 -24.034 11.129
601 HG3 GLU 83 1HG GLU 83 -24.131 -25.022 10.039
602 H HIS 84 H HIS 84 -23.338 -21.775 13.331
603 HA HIS 84 HA HIS 84 -21.162 -19.805 13.162
604 HB2 HIS 84 2HB HIS 84 -22.235 -18.563 15.055
605 HB3 HIS 84 1HB HIS 84 -23.142 -18.496 13.549
606 HD1 HIS 84 1HD HIS 84 -25.420 -19.727 13.480
607 HD2 HIS 84 2HD HIS 84 -23.495 -19.910 17.159
608 HE1 HIS 84 1HE HIS 84 -27.148 -20.567 15.102
609 HE2 HIS 84 2HE HIS 84 -25.973 -20.631 17.330
Start of MODEL 20
1 H1 MET 1 1HT MET 1 9.168 9.719 15.645
2 H2 MET 1 2HT MET 1 9.903 11.096 14.932
3 H3 MET 1 3HT MET 1 9.586 11.067 16.618
4 HA MET 1 HA MET 1 11.897 10.717 16.113
5 HB2 MET 1 2HB MET 1 10.370 9.508 17.963
6 HB3 MET 1 1HB MET 1 10.942 8.080 17.114
7 HG2 MET 1 2HG MET 1 13.050 10.002 17.742
8 HG3 MET 1 1HG MET 1 12.235 9.346 19.158
9 HE1 MET 1 2HE MET 1 15.077 9.385 17.840
10 HE2 MET 1 3HE MET 1 15.238 8.225 16.522
11 HE3 MET 1 1HE MET 1 15.808 7.809 18.138
12 H ALA 2 H ALA 2 13.454 8.858 15.617
13 HA ALA 2 HA ALA 2 13.187 8.163 12.882
14 HB1 ALA 2 1HB ALA 2 15.168 6.805 14.654
15 HB2 ALA 2 2HB ALA 2 15.316 8.536 14.351
16 HB3 ALA 2 3HB ALA 2 15.354 7.398 13.004
17 H VAL 3 H VAL 3 14.064 5.626 12.530
18 HA VAL 3 HA VAL 3 13.456 3.432 12.441
19 HB VAL 3 HB VAL 3 11.913 3.903 15.001
20 HG11 VAL 3 1HG1 VAL 3 11.823 1.733 13.391
21 HG12 VAL 3 2HG1 VAL 3 11.589 1.681 15.137
22 HG13 VAL 3 3HG1 VAL 3 13.167 1.300 14.449
23 HG21 VAL 3 3HG2 VAL 3 14.542 2.606 15.173
24 HG22 VAL 3 1HG2 VAL 3 13.794 3.806 16.228
25 HG23 VAL 3 2HG2 VAL 3 14.593 4.314 14.741
26 H PHE 4 H PHE 4 12.165 4.855 10.721
27 HA PHE 4 HA PHE 4 10.318 5.081 9.431
28 HB2 PHE 4 2HB PHE 4 10.103 2.471 10.721
29 HB3 PHE 4 1HB PHE 4 8.548 3.117 10.226
30 HD1 PHE 4 1HD PHE 4 11.989 3.011 8.761
31 HD2 PHE 4 2HD PHE 4 7.827 2.297 8.221
32 HE1 PHE 4 1HE PHE 4 12.421 2.245 6.462
33 HE2 PHE 4 2HE PHE 4 8.253 1.532 5.923
34 HZ PHE 4 HZ PHE 4 10.551 1.504 5.041
35 H HIS 5 H HIS 5 7.679 4.968 9.692
36 HA HIS 5 HA HIS 5 7.139 6.799 11.924
37 HB2 HIS 5 2HB HIS 5 6.726 7.556 9.546
38 HB3 HIS 5 1HB HIS 5 5.438 6.361 9.462
39 HD1 HIS 5 1HD HIS 5 5.636 7.983 12.739
40 HD2 HIS 5 2HD HIS 5 3.777 8.716 9.094
41 HE1 HIS 5 1HE HIS 5 3.856 9.689 13.224
42 HE2 HIS 5 2HE HIS 5 2.794 10.173 10.990
43 H ASP 6 H ASP 6 5.412 4.290 10.064
44 HA ASP 6 HA ASP 6 4.638 2.849 12.392
45 HB2 ASP 6 2HB ASP 6 2.785 4.890 11.297
46 HB3 ASP 6 1HB ASP 6 2.077 3.317 11.647
47 H GLU 7 H GLU 7 3.325 0.965 11.880
48 HA GLU 7 HA GLU 7 3.739 0.100 9.107
49 HB2 GLU 7 2HB GLU 7 3.089 -1.549 11.558
50 HB3 GLU 7 1HB GLU 7 3.483 -2.176 9.963
51 HG2 GLU 7 2HG GLU 7 5.688 -1.886 10.248
52 HG3 GLU 7 1HG GLU 7 5.484 -0.367 11.118
53 H VAL 8 H VAL 8 2.068 -0.428 7.783
54 HA VAL 8 HA VAL 8 -0.630 -0.598 8.936
55 HB VAL 8 HB VAL 8 -0.012 1.002 6.449
56 HG11 VAL 8 1HG1 VAL 8 -2.301 -0.157 6.850
57 HG12 VAL 8 2HG1 VAL 8 -2.261 1.529 6.340
58 HG13 VAL 8 3HG1 VAL 8 -2.545 1.129 8.033
59 HG21 VAL 8 3HG2 VAL 8 -0.346 3.000 7.716
60 HG22 VAL 8 1HG2 VAL 8 0.882 2.041 8.540
61 HG23 VAL 8 2HG2 VAL 8 -0.769 2.080 9.159
62 H GLU 9 H GLU 9 -1.984 -2.039 7.963
63 HA GLU 9 HA GLU 9 -0.819 -4.018 6.263
64 HB2 GLU 9 2HB GLU 9 -3.601 -3.600 7.342
65 HB3 GLU 9 1HB GLU 9 -3.223 -4.910 6.234
66 HG2 GLU 9 2HG GLU 9 -1.487 -5.673 7.863
67 HG3 GLU 9 1HG GLU 9 -2.103 -4.465 8.989
68 H ILE 10 H ILE 10 -1.131 -4.424 4.131
69 HA ILE 10 HA ILE 10 -1.624 -2.320 2.375
70 HB ILE 10 HB ILE 10 -0.332 -4.354 1.816
71 HG12 ILE 10 2HG1 ILE 10 -1.788 -4.658 -0.481
72 HG13 ILE 10 1HG1 ILE 10 -2.374 -3.107 0.110
73 HG21 ILE 10 1HG2 ILE 10 -1.595 -6.341 0.988
74 HG22 ILE 10 2HG2 ILE 10 -3.051 -5.642 1.695
75 HG23 ILE 10 3HG2 ILE 10 -1.693 -6.086 2.729
76 HD11 ILE 10 3HD1 ILE 10 -0.427 -2.067 -0.296
77 HD12 ILE 10 1HD1 ILE 10 -0.228 -3.384 -1.450
78 HD13 ILE 10 2HD1 ILE 10 0.543 -3.474 0.133
79 H GLU 11 H GLU 11 -3.841 -4.641 3.775
80 HA GLU 11 HA GLU 11 -5.991 -4.412 1.998
81 HB2 GLU 11 2HB GLU 11 -6.139 -4.801 4.993
82 HB3 GLU 11 1HB GLU 11 -7.387 -5.215 3.826
83 HG2 GLU 11 2HG GLU 11 -5.650 -6.768 2.782
84 HG3 GLU 11 1HG GLU 11 -4.727 -6.527 4.264
85 H ASP 12 H ASP 12 -4.896 -2.301 4.577
86 HA ASP 12 HA ASP 12 -7.244 -0.675 4.672
87 HB2 ASP 12 2HB ASP 12 -5.105 -0.969 6.309
88 HB3 ASP 12 1HB ASP 12 -4.662 0.520 5.482
89 H PHE 13 H PHE 13 -4.303 -0.663 2.771
90 HA PHE 13 HA PHE 13 -4.409 1.987 1.813
91 HB2 PHE 13 2HB PHE 13 -3.137 -0.542 0.797
92 HB3 PHE 13 1HB PHE 13 -3.089 0.931 -0.161
93 HD1 PHE 13 1HD PHE 13 -2.430 -0.131 3.364
94 HD2 PHE 13 2HD PHE 13 -1.217 2.227 0.034
95 HE1 PHE 13 1HE PHE 13 -0.451 0.617 4.618
96 HE2 PHE 13 2HE PHE 13 0.762 2.979 1.282
97 HZ PHE 13 HZ PHE 13 1.149 2.174 3.578
98 H GLN 14 H GLN 14 -4.971 2.720 -0.340
99 HA GLN 14 HA GLN 14 -7.427 1.446 -1.297
100 HB2 GLN 14 2HB GLN 14 -7.374 3.899 -0.718
101 HB3 GLN 14 1HB GLN 14 -6.295 4.137 -2.084
102 HG2 GLN 14 2HG GLN 14 -7.958 4.052 -3.568
103 HG3 GLN 14 1HG GLN 14 -8.739 2.692 -2.764
104 HE21 GLN 14 1HE2 GLN 14 -9.932 3.229 -0.748
105 HE22 GLN 14 2HE2 GLN 14 -10.792 4.725 -0.696
106 H TYR 15 H TYR 15 -6.516 -0.283 -2.458
107 HA TYR 15 HA TYR 15 -4.489 0.029 -4.406
108 HB2 TYR 15 2HB TYR 15 -5.000 -2.156 -3.420
109 HB3 TYR 15 1HB TYR 15 -6.596 -2.133 -4.162
110 HD1 TYR 15 2HD TYR 15 -2.983 -1.922 -5.105
111 HD2 TYR 15 1HD TYR 15 -6.891 -3.201 -6.201
112 HE1 TYR 15 2HE TYR 15 -2.061 -2.995 -7.113
113 HE2 TYR 15 1HE TYR 15 -5.980 -4.277 -8.214
114 HH TYR 15 HH TYR 15 -3.808 -5.187 -9.004
115 H ASP 16 H ASP 16 -4.640 -0.056 -6.684
116 HA ASP 16 HA ASP 16 -7.226 0.447 -7.910
117 HB2 ASP 16 2HB ASP 16 -5.794 2.632 -7.172
118 HB3 ASP 16 1HB ASP 16 -5.133 2.352 -8.779
119 H GLU 17 H GLU 17 -7.151 -1.292 -9.241
120 HA GLU 17 HA GLU 17 -4.931 -2.448 -10.418
121 HB2 GLU 17 2HB GLU 17 -6.591 -3.246 -12.212
122 HB3 GLU 17 1HB GLU 17 -6.901 -3.712 -10.546
123 HG2 GLU 17 2HG GLU 17 -8.718 -2.302 -10.352
124 HG3 GLU 17 1HG GLU 17 -8.181 -1.258 -11.668
125 H ASP 18 H ASP 18 -6.707 0.395 -11.411
126 HA ASP 18 HA ASP 18 -5.986 0.681 -14.056
127 HB2 ASP 18 2HB ASP 18 -7.470 2.190 -12.586
128 HB3 ASP 18 1HB ASP 18 -5.977 3.011 -12.144
129 H SER 19 H SER 19 -4.154 1.719 -11.186
130 HA SER 19 HA SER 19 -1.811 2.178 -12.911
131 HB2 SER 19 2HB SER 19 -2.504 3.251 -10.174
132 HB3 SER 19 1HB SER 19 -0.936 3.487 -10.947
133 HG SER 19 HG SER 19 -1.981 5.216 -11.642
134 H GLU 20 H GLU 20 -3.051 0.094 -10.473
135 HA GLU 20 HA GLU 20 -2.198 -1.716 -9.402
136 HB2 GLU 20 2HB GLU 20 0.264 -1.444 -11.125
137 HB3 GLU 20 1HB GLU 20 -0.361 -2.897 -10.361
138 HG2 GLU 20 2HG GLU 20 -2.463 -2.261 -11.902
139 HG3 GLU 20 1HG GLU 20 -1.160 -1.576 -12.872
140 H THR 21 H THR 21 -1.909 0.697 -8.143
141 HA THR 21 HA THR 21 0.543 0.270 -6.598
142 HB THR 21 HB THR 21 -0.366 3.014 -7.495
143 HG1 THR 21 1HG THR 21 1.214 2.945 -8.993
144 HG21 THR 21 3HG2 THR 21 1.017 2.709 -5.330
145 HG22 THR 21 1HG2 THR 21 1.511 3.918 -6.515
146 HG23 THR 21 2HG2 THR 21 2.346 2.368 -6.436
147 H TYR 22 H TYR 22 0.414 0.947 -4.413
148 HA TYR 22 HA TYR 22 -2.343 1.340 -3.459
149 HB2 TYR 22 2HB TYR 22 0.077 0.303 -1.963
150 HB3 TYR 22 1HB TYR 22 -1.547 0.457 -1.304
151 HD1 TYR 22 2HD TYR 22 0.486 -1.341 -3.825
152 HD2 TYR 22 1HD TYR 22 -3.172 -1.226 -1.654
153 HE1 TYR 22 2HE TYR 22 -0.041 -3.611 -4.605
154 HE2 TYR 22 1HE TYR 22 -3.710 -3.496 -2.429
155 HH TYR 22 HH TYR 22 -2.920 -4.919 -4.643
156 H PHE 23 H PHE 23 -2.871 3.011 -2.083
157 HA PHE 23 HA PHE 23 -0.727 4.920 -1.423
158 HB2 PHE 23 2HB PHE 23 -3.506 5.741 -2.278
159 HB3 PHE 23 1HB PHE 23 -2.111 6.783 -2.020
160 HD1 PHE 23 2HD PHE 23 -3.467 4.117 -4.201
161 HD2 PHE 23 1HD PHE 23 -0.602 7.234 -3.760
162 HE1 PHE 23 2HE PHE 23 -2.882 3.910 -6.580
163 HE2 PHE 23 1HE PHE 23 -0.012 7.034 -6.140
164 HZ PHE 23 HZ PHE 23 -1.153 5.369 -7.555
165 H TYR 24 H TYR 24 -1.184 6.345 0.386
166 HA TYR 24 HA TYR 24 -3.324 5.451 2.180
167 HB2 TYR 24 2HB TYR 24 -0.915 4.417 2.599
168 HB3 TYR 24 1HB TYR 24 -0.643 5.967 3.390
169 HD1 TYR 24 2HD TYR 24 -3.367 3.399 3.279
170 HD2 TYR 24 1HD TYR 24 -0.943 5.949 5.673
171 HE1 TYR 24 2HE TYR 24 -4.487 2.561 5.296
172 HE2 TYR 24 1HE TYR 24 -2.057 5.116 7.699
173 HH TYR 24 HH TYR 24 -4.316 2.438 7.596
174 HA PRO 25 HA PRO 25 -3.853 9.826 2.685
175 HB2 PRO 25 2HB PRO 25 -5.250 9.810 5.030
176 HB3 PRO 25 1HB PRO 25 -5.964 9.422 3.461
177 HG2 PRO 25 2HG PRO 25 -4.980 7.577 5.604
178 HG3 PRO 25 1HG PRO 25 -6.452 7.466 4.619
179 HD2 PRO 25 2HD PRO 25 -4.256 6.000 4.079
180 HD3 PRO 25 1HD PRO 25 -5.317 6.614 2.793
181 H CYS 26 H CYS 26 -2.344 11.220 3.326
182 HA CYS 26 HA CYS 26 -0.780 10.636 5.730
183 HB2 CYS 26 2HB CYS 26 -0.049 11.525 3.202
184 HB3 CYS 26 1HB CYS 26 0.051 12.973 4.199
185 HA PRO 27 HA PRO 27 -2.818 13.765 8.094
186 HB2 PRO 27 2HB PRO 27 -0.826 14.403 9.838
187 HB3 PRO 27 1HB PRO 27 -1.775 12.917 9.950
188 HG2 PRO 27 2HG PRO 27 0.951 13.339 8.791
189 HG3 PRO 27 1HG PRO 27 0.361 12.016 9.813
190 HD2 PRO 27 2HD PRO 27 0.630 11.766 7.137
191 HD3 PRO 27 1HD PRO 27 -0.646 10.930 8.047
192 H CYS 28 H CYS 28 0.090 14.421 6.318
193 HA CYS 28 HA CYS 28 0.201 17.223 6.925
194 HB2 CYS 28 2HB CYS 28 1.900 17.329 5.158
195 HB3 CYS 28 1HB CYS 28 2.219 15.997 6.264
196 H GLY 29 H GLY 29 -1.158 15.251 4.321
197 HA2 GLY 29 2HA GLY 29 -3.290 16.709 3.613
198 HA3 GLY 29 1HA GLY 29 -1.996 17.598 2.821
199 H ASP 30 H ASP 30 -0.355 15.651 1.895
200 HA ASP 30 HA ASP 30 -1.865 14.605 -0.323
201 HB2 ASP 30 2HB ASP 30 0.701 15.484 -0.031
202 HB3 ASP 30 1HB ASP 30 0.943 13.742 0.020
203 H ASN 31 H ASN 31 -0.732 12.210 -0.951
204 HA ASN 31 HA ASN 31 -1.232 10.464 1.360
205 HB2 ASN 31 2HB ASN 31 -2.300 9.942 -1.424
206 HB3 ASN 31 1HB ASN 31 -2.561 8.951 0.007
207 HD21 ASN 31 1HD2 ASN 31 -4.323 10.553 -1.898
208 HD22 ASN 31 2HD2 ASN 31 -5.356 11.446 -0.839
209 H PHE 32 H PHE 32 -0.007 8.621 1.474
210 HA PHE 32 HA PHE 32 2.482 8.571 0.139
211 HB2 PHE 32 2HB PHE 32 1.017 6.688 1.953
212 HB3 PHE 32 1HB PHE 32 2.459 6.124 1.121
213 HD1 PHE 32 2HD PHE 32 4.585 7.576 1.394
214 HD2 PHE 32 1HD PHE 32 1.208 7.793 3.977
215 HE1 PHE 32 2HE PHE 32 5.995 8.568 3.149
216 HE2 PHE 32 1HE PHE 32 2.615 8.784 5.737
217 HZ PHE 32 HZ PHE 32 5.011 9.173 5.323
218 H SER 33 H SER 33 3.290 6.557 -1.048
219 HA SER 33 HA SER 33 1.290 5.194 -2.650
220 HB2 SER 33 2HB SER 33 2.713 5.882 -4.755
221 HB3 SER 33 1HB SER 33 1.447 6.949 -4.152
222 HG SER 33 HG SER 33 4.199 7.263 -4.132
223 H ILE 34 H ILE 34 1.940 3.236 -3.391
224 HA ILE 34 HA ILE 34 4.747 2.517 -3.482
225 HB ILE 34 HB ILE 34 4.224 2.093 -1.131
226 HG12 ILE 34 2HG1 ILE 34 4.268 -0.682 -2.128
227 HG13 ILE 34 1HG1 ILE 34 5.469 0.384 -2.849
228 HG21 ILE 34 1HG2 ILE 34 2.402 1.016 -0.354
229 HG22 ILE 34 2HG2 ILE 34 2.355 -0.114 -1.707
230 HG23 ILE 34 3HG2 ILE 34 1.716 1.519 -1.899
231 HD11 ILE 34 3HD1 ILE 34 5.606 -0.948 -0.397
232 HD12 ILE 34 1HD1 ILE 34 5.417 0.762 -0.014
233 HD13 ILE 34 2HD1 ILE 34 6.741 0.232 -1.053
234 H THR 35 H THR 35 5.048 1.295 -5.235
235 HA THR 35 HA THR 35 2.845 0.343 -6.775
236 HB THR 35 HB THR 35 4.792 -0.745 -8.122
237 HG1 THR 35 1HG THR 35 6.439 -0.664 -6.676
238 HG21 THR 35 3HG2 THR 35 3.610 1.435 -8.653
239 HG22 THR 35 1HG2 THR 35 5.246 1.237 -9.281
240 HG23 THR 35 2HG2 THR 35 4.965 2.236 -7.855
241 H LYS 36 H LYS 36 2.276 -1.779 -7.319
242 HA LYS 36 HA LYS 36 2.236 -3.632 -5.219
243 HB2 LYS 36 2HB LYS 36 0.549 -3.626 -6.981
244 HB3 LYS 36 1HB LYS 36 1.757 -4.079 -8.173
245 HG2 LYS 36 2HG LYS 36 0.968 -6.148 -7.808
246 HG3 LYS 36 1HG LYS 36 2.040 -6.102 -6.408
247 HD2 LYS 36 2HD LYS 36 0.271 -5.589 -4.941
248 HD3 LYS 36 1HD LYS 36 -0.810 -5.160 -6.267
249 HE2 LYS 36 2HE LYS 36 -0.669 -7.561 -7.012
250 HE3 LYS 36 1HE LYS 36 0.172 -7.903 -5.500
251 HZ1 LYS 36 3HZ LYS 36 -2.064 -8.388 -5.094
252 HZ2 LYS 36 1HZ LYS 36 -2.618 -6.994 -5.877
253 HZ3 LYS 36 2HZ LYS 36 -1.837 -6.871 -4.381
254 H GLU 37 H GLU 37 4.352 -3.379 -8.037
255 HA GLU 37 HA GLU 37 5.670 -5.843 -7.784
256 HB2 GLU 37 2HB GLU 37 5.750 -4.054 -9.679
257 HB3 GLU 37 1HB GLU 37 7.080 -3.374 -8.750
258 HG2 GLU 37 2HG GLU 37 7.805 -5.985 -8.859
259 HG3 GLU 37 1HG GLU 37 6.968 -5.797 -10.398
260 H ASP 38 H ASP 38 6.262 -2.713 -6.254
261 HA ASP 38 HA ASP 38 8.764 -3.234 -5.120
262 HB2 ASP 38 2HB ASP 38 6.530 -1.358 -4.540
263 HB3 ASP 38 1HB ASP 38 7.698 -1.617 -3.250
264 H LEU 39 H LEU 39 5.507 -3.767 -3.793
265 HA LEU 39 HA LEU 39 6.321 -4.810 -1.312
266 HB2 LEU 39 2HB LEU 39 3.815 -5.534 -2.822
267 HB3 LEU 39 1HB LEU 39 4.072 -5.651 -1.092
268 HG LEU 39 HG LEU 39 4.261 -2.986 -2.447
269 HD11 LEU 39 1HD1 LEU 39 1.834 -2.695 -1.884
270 HD12 LEU 39 2HD1 LEU 39 1.747 -4.446 -1.683
271 HD13 LEU 39 3HD1 LEU 39 2.172 -3.758 -3.249
272 HD21 LEU 39 3HD2 LEU 39 4.923 -3.437 -0.031
273 HD22 LEU 39 1HD2 LEU 39 3.204 -3.678 0.279
274 HD23 LEU 39 2HD2 LEU 39 3.784 -2.122 -0.315
275 H GLU 40 H GLU 40 5.582 -6.419 -4.396
276 HA GLU 40 HA GLU 40 5.882 -9.067 -3.488
277 HB2 GLU 40 2HB GLU 40 5.951 -7.729 -6.152
278 HB3 GLU 40 1HB GLU 40 6.549 -9.378 -6.036
279 HG2 GLU 40 2HG GLU 40 4.339 -9.935 -4.916
280 HG3 GLU 40 1HG GLU 40 3.790 -8.353 -5.470
281 H ASN 41 H ASN 41 8.232 -6.670 -4.518
282 HA ASN 41 HA ASN 41 10.403 -8.575 -4.635
283 HB2 ASN 41 2HB ASN 41 10.075 -5.665 -5.153
284 HB3 ASN 41 1HB ASN 41 11.682 -6.222 -4.704
285 HD21 ASN 41 1HD2 ASN 41 12.627 -5.889 -6.667
286 HD22 ASN 41 2HD2 ASN 41 12.224 -6.792 -8.083
287 H GLY 42 H GLY 42 9.254 -6.084 -2.389
288 HA2 GLY 42 2HA GLY 42 9.831 -6.985 -0.006
289 HA3 GLY 42 1HA GLY 42 11.469 -6.679 -0.565
290 H GLU 43 H GLU 43 10.143 -4.324 -2.152
291 HA GLU 43 HA GLU 43 10.828 -2.303 -0.291
292 HB2 GLU 43 2HB GLU 43 9.559 -2.266 -3.022
293 HB3 GLU 43 1HB GLU 43 9.752 -0.790 -2.086
294 HG2 GLU 43 2HG GLU 43 11.956 -2.632 -2.985
295 HG3 GLU 43 1HG GLU 43 11.565 -1.054 -3.667
296 H ASP 44 H ASP 44 9.457 -2.825 1.480
297 HA ASP 44 HA ASP 44 6.605 -2.258 1.156
298 HB2 ASP 44 2HB ASP 44 6.488 -3.042 3.571
299 HB3 ASP 44 1HB ASP 44 6.957 -4.251 2.386
300 H VAL 45 H VAL 45 8.296 -0.081 0.822
301 HA VAL 45 HA VAL 45 7.643 1.517 3.203
302 HB VAL 45 HB VAL 45 10.065 1.166 3.139
303 HG11 VAL 45 1HG1 VAL 45 10.299 2.755 0.625
304 HG12 VAL 45 2HG1 VAL 45 9.996 1.021 0.524
305 HG13 VAL 45 3HG1 VAL 45 11.437 1.616 1.347
306 HG21 VAL 45 3HG2 VAL 45 10.753 3.534 3.187
307 HG22 VAL 45 1HG2 VAL 45 9.240 3.250 4.046
308 HG23 VAL 45 2HG2 VAL 45 9.218 3.975 2.439
309 H ALA 46 H ALA 46 6.540 3.337 2.848
310 HA ALA 46 HA ALA 46 6.191 4.200 0.055
311 HB1 ALA 46 1HB ALA 46 4.232 3.379 1.778
312 HB2 ALA 46 2HB ALA 46 3.983 4.413 0.372
313 HB3 ALA 46 3HB ALA 46 4.182 5.132 1.970
314 H THR 47 H THR 47 6.653 6.260 -0.477
315 HA THR 47 HA THR 47 7.442 8.071 1.710
316 HB THR 47 HB THR 47 8.573 8.061 -1.096
317 HG1 THR 47 1HG THR 47 9.441 6.274 -0.294
318 HG21 THR 47 3HG2 THR 47 9.967 9.719 -0.505
319 HG22 THR 47 1HG2 THR 47 10.098 9.163 1.164
320 HG23 THR 47 2HG2 THR 47 8.690 10.095 0.653
321 H CYS 48 H CYS 48 6.508 10.019 1.805
322 HA CYS 48 HA CYS 48 4.441 10.647 -0.136
323 HB2 CYS 48 2HB CYS 48 4.087 10.811 2.362
324 HB3 CYS 48 1HB CYS 48 5.172 12.198 2.353
325 HA PRO 49 HA PRO 49 7.064 13.499 -2.324
326 HB2 PRO 49 2HB PRO 49 5.152 14.758 -3.773
327 HB3 PRO 49 1HB PRO 49 5.716 13.124 -4.141
328 HG2 PRO 49 2HG PRO 49 3.256 13.994 -2.675
329 HG3 PRO 49 1HG PRO 49 3.442 12.714 -3.887
330 HD2 PRO 49 2HD PRO 49 3.329 12.216 -1.223
331 HD3 PRO 49 1HD PRO 49 4.256 11.207 -2.353
332 H SER 50 H SER 50 4.729 14.399 0.001
333 HA SER 50 HA SER 50 5.343 17.248 -0.259
334 HB2 SER 50 2HB SER 50 3.235 15.755 1.304
335 HB3 SER 50 1HB SER 50 3.543 17.479 1.522
336 HG SER 50 HG SER 50 2.033 17.466 -0.019
337 H CYS 51 H CYS 51 4.838 15.144 2.595
338 HA CYS 51 HA CYS 51 6.692 16.684 4.142
339 HB2 CYS 51 2HB CYS 51 6.259 15.028 5.923
340 HB3 CYS 51 1HB CYS 51 4.773 15.673 5.232
341 H SER 52 H SER 52 6.908 13.756 2.261
342 HA SER 52 HA SER 52 8.678 12.476 1.635
343 HB2 SER 52 2HB SER 52 9.772 14.953 1.855
344 HB3 SER 52 1HB SER 52 10.739 14.071 3.036
345 HG SER 52 HG SER 52 10.475 13.624 0.267
346 H LEU 53 H LEU 53 7.270 11.754 3.886
347 HA LEU 53 HA LEU 53 9.235 10.928 5.886
348 HB2 LEU 53 2HB LEU 53 6.410 11.509 5.891
349 HB3 LEU 53 1HB LEU 53 6.694 9.907 6.540
350 HG LEU 53 HG LEU 53 8.253 10.852 8.195
351 HD11 LEU 53 1HD1 LEU 53 8.590 12.935 6.563
352 HD12 LEU 53 2HD1 LEU 53 8.879 13.028 8.300
353 HD13 LEU 53 3HD1 LEU 53 7.359 13.616 7.627
354 HD21 LEU 53 3HD2 LEU 53 5.490 12.046 8.094
355 HD22 LEU 53 1HD2 LEU 53 6.537 12.103 9.513
356 HD23 LEU 53 2HD2 LEU 53 5.988 10.550 8.883
357 H ILE 54 H ILE 54 8.388 8.578 6.813
358 HA ILE 54 HA ILE 54 8.288 6.755 4.500
359 HB ILE 54 HB ILE 54 9.835 5.229 5.782
360 HG12 ILE 54 2HG1 ILE 54 10.342 7.760 7.370
361 HG13 ILE 54 1HG1 ILE 54 9.618 6.280 7.989
362 HG21 ILE 54 1HG2 ILE 54 11.636 6.038 4.655
363 HG22 ILE 54 2HG2 ILE 54 11.383 7.692 5.212
364 HG23 ILE 54 3HG2 ILE 54 10.388 7.038 3.911
365 HD11 ILE 54 3HD1 ILE 54 12.384 6.346 6.832
366 HD12 ILE 54 1HD1 ILE 54 11.648 5.111 7.852
367 HD13 ILE 54 2HD1 ILE 54 12.055 6.687 8.530
368 H ILE 55 H ILE 55 7.147 4.858 4.779
369 HA ILE 55 HA ILE 55 6.038 4.237 7.408
370 HB ILE 55 HB ILE 55 3.750 3.949 6.469
371 HG12 ILE 55 2HG1 ILE 55 4.381 5.803 4.231
372 HG13 ILE 55 1HG1 ILE 55 4.845 4.119 4.026
373 HG21 ILE 55 1HG2 ILE 55 4.313 5.902 7.807
374 HG22 ILE 55 2HG2 ILE 55 3.146 6.315 6.551
375 HG23 ILE 55 3HG2 ILE 55 4.842 6.756 6.357
376 HD11 ILE 55 3HD1 ILE 55 2.245 4.002 4.978
377 HD12 ILE 55 1HD1 ILE 55 2.779 3.756 3.315
378 HD13 ILE 55 2HD1 ILE 55 2.247 5.352 3.843
379 H LYS 56 H LYS 56 5.502 2.072 7.696
380 HA LYS 56 HA LYS 56 6.582 0.275 5.667
381 HB2 LYS 56 2HB LYS 56 7.262 0.056 8.060
382 HB3 LYS 56 1HB LYS 56 5.604 -0.373 8.453
383 HG2 LYS 56 2HG LYS 56 6.405 -2.466 8.249
384 HG3 LYS 56 1HG LYS 56 6.083 -2.187 6.537
385 HD2 LYS 56 2HD LYS 56 8.354 -1.696 6.092
386 HD3 LYS 56 1HD LYS 56 8.734 -1.552 7.808
387 HE2 LYS 56 2HE LYS 56 7.676 -4.138 6.763
388 HE3 LYS 56 1HE LYS 56 9.363 -3.720 6.465
389 HZ1 LYS 56 3HZ LYS 56 9.335 -4.939 8.457
390 HZ2 LYS 56 1HZ LYS 56 8.009 -4.086 9.075
391 HZ3 LYS 56 2HZ LYS 56 9.515 -3.328 8.939
392 H VAL 57 H VAL 57 5.499 -1.116 4.499
393 HA VAL 57 HA VAL 57 2.575 -1.135 4.784
394 HB VAL 57 HB VAL 57 3.786 -2.147 2.271
395 HG11 VAL 57 1HG1 VAL 57 1.400 -2.070 2.523
396 HG12 VAL 57 2HG1 VAL 57 1.879 -0.852 1.340
397 HG13 VAL 57 3HG1 VAL 57 1.466 -0.370 2.985
398 HG21 VAL 57 3HG2 VAL 57 3.724 0.813 2.876
399 HG22 VAL 57 1HG2 VAL 57 4.152 0.061 1.341
400 HG23 VAL 57 2HG2 VAL 57 5.185 -0.163 2.750
401 H ILE 58 H ILE 58 1.827 -2.900 5.739
402 HA ILE 58 HA ILE 58 3.329 -5.396 5.625
403 HB ILE 58 HB ILE 58 0.758 -4.869 7.115
404 HG12 ILE 58 2HG1 ILE 58 2.494 -3.270 7.824
405 HG13 ILE 58 1HG1 ILE 58 2.133 -4.434 9.094
406 HG21 ILE 58 1HG2 ILE 58 1.150 -7.197 6.905
407 HG22 ILE 58 2HG2 ILE 58 1.636 -6.749 8.540
408 HG23 ILE 58 3HG2 ILE 58 2.861 -7.015 7.298
409 HD11 ILE 58 3HD1 ILE 58 4.435 -4.293 9.148
410 HD12 ILE 58 1HD1 ILE 58 4.574 -4.191 7.393
411 HD13 ILE 58 2HD1 ILE 58 4.161 -5.726 8.157
412 H TYR 59 H TYR 59 2.699 -7.192 4.536
413 HA TYR 59 HA TYR 59 0.016 -7.416 3.446
414 HB2 TYR 59 2HB TYR 59 0.992 -7.826 1.118
415 HB3 TYR 59 1HB TYR 59 0.948 -6.154 1.669
416 HD1 TYR 59 1HD TYR 59 3.137 -9.035 0.984
417 HD2 TYR 59 2HD TYR 59 2.963 -4.940 2.116
418 HE1 TYR 59 1HE TYR 59 5.556 -8.832 0.599
419 HE2 TYR 59 2HE TYR 59 5.372 -4.724 1.728
420 HH TYR 59 HH TYR 59 7.141 -6.507 -0.002
421 H ASP 60 H ASP 60 0.043 -9.504 1.907
422 HA ASP 60 HA ASP 60 1.045 -11.646 3.578
423 HB2 ASP 60 2HB ASP 60 -1.287 -11.535 2.482
424 HB3 ASP 60 1HB ASP 60 -0.466 -11.978 0.989
425 H LYS 61 H LYS 61 3.244 -11.799 3.278
426 HA LYS 61 HA LYS 61 4.584 -11.553 0.827
427 HB2 LYS 61 2HB LYS 61 5.350 -12.986 3.366
428 HB3 LYS 61 1HB LYS 61 6.423 -12.867 1.978
429 HG2 LYS 61 2HG LYS 61 5.274 -10.330 2.947
430 HG3 LYS 61 1HG LYS 61 6.425 -11.129 4.017
431 HD2 LYS 61 2HD LYS 61 7.943 -11.307 1.966
432 HD3 LYS 61 1HD LYS 61 6.852 -10.143 1.210
433 HE2 LYS 61 2HE LYS 61 7.238 -8.741 3.339
434 HE3 LYS 61 1HE LYS 61 8.630 -9.790 3.596
435 HZ1 LYS 61 3HZ LYS 61 9.193 -9.142 1.175
436 HZ2 LYS 61 1HZ LYS 61 9.521 -8.041 2.420
437 HZ3 LYS 61 2HZ LYS 61 8.152 -7.834 1.447
438 H ASP 62 H ASP 62 3.019 -14.322 2.336
439 HA ASP 62 HA ASP 62 4.124 -16.304 0.645
440 HB2 ASP 62 2HB ASP 62 1.776 -16.161 2.475
441 HB3 ASP 62 1HB ASP 62 1.804 -17.455 1.281
442 H GLN 63 H GLN 63 1.407 -14.096 0.291
443 HA GLN 63 HA GLN 63 0.499 -15.405 -2.138
444 HB2 GLN 63 2HB GLN 63 -0.447 -13.135 -0.459
445 HB3 GLN 63 1HB GLN 63 -0.939 -13.174 -2.146
446 HG2 GLN 63 2HG GLN 63 -1.458 -15.730 -1.349
447 HG3 GLN 63 1HG GLN 63 -1.810 -14.808 0.112
448 HE21 GLN 63 1HE2 GLN 63 -2.829 -12.491 -0.873
449 HE22 GLN 63 2HE2 GLN 63 -4.297 -12.804 -1.729
450 H PHE 64 H PHE 64 2.291 -12.516 -1.195
451 HA PHE 64 HA PHE 64 2.391 -11.412 -3.832
452 HB2 PHE 64 2HB PHE 64 3.643 -10.770 -1.200
453 HB3 PHE 64 1HB PHE 64 4.404 -10.126 -2.651
454 HD1 PHE 64 2HD PHE 64 1.055 -10.367 -1.020
455 HD2 PHE 64 1HD PHE 64 3.683 -8.107 -3.491
456 HE1 PHE 64 2HE PHE 64 -0.571 -8.522 -1.058
457 HE2 PHE 64 1HE PHE 64 2.061 -6.259 -3.532
458 HZ PHE 64 HZ PHE 64 -0.070 -6.464 -2.315
459 H VAL 65 H VAL 65 5.075 -12.640 -1.796
460 HA VAL 65 HA VAL 65 6.398 -13.523 -4.274
461 HB VAL 65 HB VAL 65 7.637 -11.760 -3.145
462 HG11 VAL 65 1HG1 VAL 65 8.493 -13.299 -0.830
463 HG12 VAL 65 2HG1 VAL 65 6.777 -12.902 -0.797
464 HG13 VAL 65 3HG1 VAL 65 7.975 -11.617 -0.946
465 HG21 VAL 65 3HG2 VAL 65 9.007 -14.433 -2.860
466 HG22 VAL 65 1HG2 VAL 65 9.804 -12.865 -2.982
467 HG23 VAL 65 2HG2 VAL 65 8.882 -13.493 -4.347
468 H SER 66 H SER 66 5.643 -15.592 -4.414
469 HA SER 66 HA SER 66 6.165 -17.390 -2.142
470 HB2 SER 66 2HB SER 66 3.815 -17.158 -3.230
471 HB3 SER 66 1HB SER 66 4.497 -18.132 -4.534
472 HG SER 66 HG SER 66 3.920 -19.721 -3.269
473 H GLY 67 H GLY 67 8.270 -16.498 -3.927
474 HA2 GLY 67 2HA GLY 67 8.806 -18.688 -5.743
475 HA3 GLY 67 1HA GLY 67 9.853 -17.310 -5.427
476 H GLU 68 H GLU 68 10.284 -17.431 -2.759
477 HA GLU 68 HA GLU 68 11.711 -19.987 -2.471
478 HB2 GLU 68 2HB GLU 68 13.143 -18.750 -0.840
479 HB3 GLU 68 1HB GLU 68 13.220 -18.121 -2.480
480 HG2 GLU 68 2HG GLU 68 11.746 -16.295 -1.878
481 HG3 GLU 68 1HG GLU 68 11.577 -16.944 -0.247
482 H THR 69 H THR 69 8.902 -19.694 -1.828
483 HA THR 69 HA THR 69 9.029 -20.377 1.026
484 HB THR 69 HB THR 69 6.689 -18.882 -0.145
485 HG1 THR 69 1HG THR 69 9.023 -17.814 1.055
486 HG21 THR 69 3HG2 THR 69 6.138 -19.881 1.928
487 HG22 THR 69 1HG2 THR 69 6.413 -18.166 2.231
488 HG23 THR 69 2HG2 THR 69 7.651 -19.346 2.660
489 H VAL 70 H VAL 70 7.698 -22.051 1.677
490 HA VAL 70 HA VAL 70 6.718 -23.752 -0.450
491 HB VAL 70 HB VAL 70 7.985 -24.763 1.388
492 HG11 VAL 70 1HG1 VAL 70 6.657 -23.081 3.051
493 HG12 VAL 70 2HG1 VAL 70 7.547 -24.509 3.578
494 HG13 VAL 70 3HG1 VAL 70 5.801 -24.594 3.344
495 HG21 VAL 70 3HG2 VAL 70 6.156 -25.990 0.135
496 HG22 VAL 70 1HG2 VAL 70 5.147 -25.743 1.559
497 HG23 VAL 70 2HG2 VAL 70 6.638 -26.675 1.687
498 HA PRO 71 HA PRO 71 2.611 -21.927 -0.204
499 HB2 PRO 71 2HB PRO 71 1.984 -24.344 -1.818
500 HB3 PRO 71 1HB PRO 71 1.617 -22.647 -2.143
501 HG2 PRO 71 2HG PRO 71 3.551 -23.897 -3.481
502 HG3 PRO 71 1HG PRO 71 3.740 -22.208 -2.970
503 HD2 PRO 71 2HD PRO 71 4.913 -24.693 -1.789
504 HD3 PRO 71 1HD PRO 71 5.643 -23.087 -1.994
505 H ALA 72 H ALA 72 1.234 -22.185 1.434
506 HA ALA 72 HA ALA 72 0.611 -24.914 2.356
507 HB1 ALA 72 1HB ALA 72 1.980 -24.195 4.068
508 HB2 ALA 72 2HB ALA 72 0.384 -23.742 4.666
509 HB3 ALA 72 3HB ALA 72 1.435 -22.523 3.946
510 HA PRO 73 HA PRO 73 -3.646 -23.766 1.983
511 HB2 PRO 73 2HB PRO 73 -4.775 -25.431 3.799
512 HB3 PRO 73 1HB PRO 73 -4.116 -26.004 2.262
513 HG2 PRO 73 2HG PRO 73 -2.870 -26.039 4.986
514 HG3 PRO 73 1HG PRO 73 -2.901 -27.315 3.755
515 HD2 PRO 73 2HD PRO 73 -0.751 -25.715 4.141
516 HD3 PRO 73 1HD PRO 73 -1.186 -26.362 2.544
517 H SER 74 H SER 74 -5.545 -23.015 3.270
518 HA SER 74 HA SER 74 -5.180 -22.134 5.961
519 HB2 SER 74 2HB SER 74 -3.898 -20.475 4.335
520 HB3 SER 74 1HB SER 74 -5.518 -19.818 4.100
521 HG SER 74 HG SER 74 -5.643 -19.564 6.383
522 H ALA 75 H ALA 75 -7.135 -22.706 6.664
523 HA ALA 75 HA ALA 75 -9.488 -21.576 5.310
524 HB1 ALA 75 1HB ALA 75 -9.318 -24.404 6.357
525 HB2 ALA 75 2HB ALA 75 -9.275 -23.939 4.656
526 HB3 ALA 75 3HB ALA 75 -10.726 -23.644 5.614
527 H ASN 76 H ASN 76 -10.269 -20.154 6.742
528 HA ASN 76 HA ASN 76 -9.903 -20.401 9.558
529 HB2 ASN 76 2HB ASN 76 -11.486 -18.430 9.667
530 HB3 ASN 76 1HB ASN 76 -10.038 -18.185 8.701
531 HD21 ASN 76 1HD2 ASN 76 -12.056 -16.488 8.334
532 HD22 ASN 76 2HD2 ASN 76 -12.855 -16.779 6.830
533 H LYS 77 H LYS 77 -10.971 -21.716 10.864
534 HA LYS 77 HA LYS 77 -13.853 -22.076 10.510
535 HB2 LYS 77 2HB LYS 77 -12.133 -23.994 9.590
536 HB3 LYS 77 1HB LYS 77 -12.436 -24.557 11.227
537 HG2 LYS 77 2HG LYS 77 -14.506 -24.010 9.110
538 HG3 LYS 77 1HG LYS 77 -13.979 -25.591 9.691
539 HD2 LYS 77 2HD LYS 77 -14.697 -24.542 12.025
540 HD3 LYS 77 1HD LYS 77 -15.741 -23.577 10.979
541 HE2 LYS 77 2HE LYS 77 -16.883 -25.587 11.774
542 HE3 LYS 77 1HE LYS 77 -16.686 -25.607 10.022
543 HZ1 LYS 77 3HZ LYS 77 -14.656 -26.915 11.697
544 HZ2 LYS 77 1HZ LYS 77 -15.153 -27.284 10.121
545 HZ3 LYS 77 2HZ LYS 77 -16.130 -27.703 11.436
546 H GLU 78 H GLU 78 -14.978 -22.257 12.386
547 HA GLU 78 HA GLU 78 -15.472 -22.202 14.594
548 HB2 GLU 78 2HB GLU 78 -13.954 -24.368 14.373
549 HB3 GLU 78 1HB GLU 78 -12.862 -23.417 15.370
550 HG2 GLU 78 2HG GLU 78 -14.324 -23.375 17.166
551 HG3 GLU 78 1HG GLU 78 -15.725 -23.744 16.160
552 H LEU 79 H LEU 79 -15.002 -19.841 14.068
553 HA LEU 79 HA LEU 79 -13.551 -18.725 16.272
554 HB2 LEU 79 2HB LEU 79 -12.050 -17.310 14.851
555 HB3 LEU 79 1HB LEU 79 -11.633 -19.012 14.903
556 HG LEU 79 HG LEU 79 -13.248 -18.887 12.684
557 HD11 LEU 79 1HD1 LEU 79 -11.859 -16.273 13.045
558 HD12 LEU 79 2HD1 LEU 79 -13.460 -16.620 12.390
559 HD13 LEU 79 3HD1 LEU 79 -12.022 -16.957 11.428
560 HD21 LEU 79 3HD2 LEU 79 -11.393 -20.135 12.353
561 HD22 LEU 79 1HD2 LEU 79 -10.345 -19.013 13.219
562 HD23 LEU 79 2HD2 LEU 79 -10.831 -18.665 11.560
563 H VAL 80 H VAL 80 -16.262 -18.647 15.232
564 HA VAL 80 HA VAL 80 -16.681 -16.110 13.980
565 HB VAL 80 HB VAL 80 -18.256 -17.964 13.644
566 HG11 VAL 80 1HG1 VAL 80 -19.763 -18.712 15.341
567 HG12 VAL 80 2HG1 VAL 80 -19.156 -17.513 16.483
568 HG13 VAL 80 3HG1 VAL 80 -18.124 -18.849 15.976
569 HG21 VAL 80 3HG2 VAL 80 -19.707 -15.730 15.033
570 HG22 VAL 80 1HG2 VAL 80 -20.209 -16.659 13.620
571 HG23 VAL 80 2HG2 VAL 80 -18.886 -15.501 13.490
572 H LYS 81 H LYS 81 -16.768 -14.180 14.889
573 HA LYS 81 HA LYS 81 -17.307 -14.000 17.782
574 HB2 LYS 81 2HB LYS 81 -15.854 -11.898 17.683
575 HB3 LYS 81 1HB LYS 81 -15.030 -13.446 17.593
576 HG2 LYS 81 2HG LYS 81 -14.608 -13.208 15.291
577 HG3 LYS 81 1HG LYS 81 -15.757 -11.880 15.137
578 HD2 LYS 81 2HD LYS 81 -13.924 -10.583 15.271
579 HD3 LYS 81 1HD LYS 81 -14.062 -10.880 17.005
580 HE2 LYS 81 2HE LYS 81 -12.259 -12.248 17.050
581 HE3 LYS 81 1HE LYS 81 -12.601 -12.924 15.459
582 HZ1 LYS 81 3HZ LYS 81 -10.710 -11.721 15.057
583 HZ2 LYS 81 1HZ LYS 81 -11.099 -10.499 16.161
584 HZ3 LYS 81 2HZ LYS 81 -11.885 -10.569 14.666
585 H LEU 82 H LEU 82 -19.300 -13.223 18.008
586 HA LEU 82 HA LEU 82 -20.628 -11.623 16.078
587 HB2 LEU 82 2HB LEU 82 -21.255 -12.312 18.942
588 HB3 LEU 82 1HB LEU 82 -22.297 -11.281 17.982
589 HG LEU 82 HG LEU 82 -22.214 -13.328 16.304
590 HD11 LEU 82 1HD1 LEU 82 -20.782 -14.835 17.298
591 HD12 LEU 82 2HD1 LEU 82 -22.353 -15.414 17.853
592 HD13 LEU 82 3HD1 LEU 82 -21.338 -14.453 18.927
593 HD21 LEU 82 3HD2 LEU 82 -24.334 -12.839 16.935
594 HD22 LEU 82 1HD2 LEU 82 -23.920 -12.727 18.645
595 HD23 LEU 82 2HD2 LEU 82 -24.132 -14.307 17.891
596 H GLU 83 H GLU 83 -21.581 -9.460 16.549
597 HA GLU 83 HA GLU 83 -20.103 -7.774 18.391
598 HB2 GLU 83 2HB GLU 83 -19.015 -8.001 15.942
599 HB3 GLU 83 1HB GLU 83 -20.172 -6.717 15.619
600 HG2 GLU 83 2HG GLU 83 -19.010 -5.200 16.789
601 HG3 GLU 83 1HG GLU 83 -18.579 -6.350 18.054
602 H HIS 84 H HIS 84 -20.885 -5.389 18.072
603 HA HIS 84 HA HIS 84 -23.809 -5.491 17.991
604 HB2 HIS 84 2HB HIS 84 -21.886 -3.457 19.134
605 HB3 HIS 84 1HB HIS 84 -23.631 -3.228 19.094
606 HD1 HIS 84 1HD HIS 84 -20.998 -5.424 20.672
607 HD2 HIS 84 2HD HIS 84 -25.027 -4.497 21.097
608 HE1 HIS 84 1HE HIS 84 -21.716 -6.513 22.822
609 HE2 HIS 84 2HE HIS 84 -24.137 -5.871 23.098